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 3gfz_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 MMMPAXXTAA 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 0.000 176.360 176.300 0.101 0.000 1.140 1 M CA 0.000 55.325 55.300 0.042 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 L N 3.253 124.531 121.223 0.092 0.000 2.426 2 L HA 0.660 5.081 4.340 0.134 0.000 0.271 2 L C -0.233 176.720 176.870 0.138 0.000 1.169 2 L CA 1.419 56.315 54.840 0.095 0.000 0.836 2 L CB 0.984 43.086 42.059 0.071 0.000 1.112 2 L HN 0.787 nan 8.230 nan 0.000 0.465 3 T N 2.596 117.195 114.554 0.075 0.000 2.900 3 T HA 0.526 4.956 4.350 0.134 0.000 0.303 3 T C -0.781 173.900 174.700 -0.033 0.000 1.142 3 T CA -0.569 61.541 62.100 0.016 0.000 1.007 3 T CB 1.723 70.575 68.868 -0.027 0.000 1.156 3 T HN 0.604 nan 8.240 nan 0.000 0.490 4 T N 2.363 116.872 114.554 -0.074 0.000 2.856 4 T HA 0.736 5.167 4.350 0.134 0.000 0.283 4 T C -1.092 173.530 174.700 -0.131 0.000 1.008 4 T CA -0.600 61.453 62.100 -0.080 0.000 0.997 4 T CB 1.161 69.989 68.868 -0.067 0.000 0.992 4 T HN 0.449 nan 8.240 nan 0.000 0.454 5 L N 3.782 124.915 121.223 -0.150 0.000 2.409 5 L HA 0.716 5.136 4.340 0.134 0.000 0.272 5 L C -1.652 175.061 176.870 -0.261 0.000 0.980 5 L CA -0.762 53.938 54.840 -0.233 0.000 0.826 5 L CB 1.064 42.958 42.059 -0.276 0.000 1.268 5 L HN 0.646 nan 8.230 nan 0.000 0.407 6 I N 4.876 125.263 120.570 -0.305 0.000 2.498 6 I HA 0.458 4.709 4.170 0.134 0.000 0.290 6 I C -1.291 174.599 176.117 -0.378 0.000 1.032 6 I CA -0.714 60.333 61.300 -0.422 0.000 1.073 6 I CB 1.909 39.683 38.000 -0.376 0.000 1.251 6 I HN 0.558 nan 8.210 nan 0.000 0.426 7 Y N 4.351 124.342 120.300 -0.515 0.000 2.615 7 Y HA 0.802 5.433 4.550 0.134 0.000 0.341 7 Y C -1.066 174.618 175.900 -0.360 0.000 1.089 7 Y CA -1.452 56.446 58.100 -0.337 0.000 1.049 7 Y CB 1.263 39.631 38.460 -0.153 0.000 1.296 7 Y HN 0.629 nan 8.280 nan 0.000 0.470 8 R N 1.345 121.876 120.500 0.053 0.000 2.803 8 R HA 0.915 5.336 4.340 0.134 0.000 0.276 8 R C -1.195 175.338 176.300 0.389 0.000 0.978 8 R CA -0.412 55.769 56.100 0.136 0.000 0.939 8 R CB 2.118 32.560 30.300 0.236 0.000 1.179 8 R HN 1.076 nan 8.270 nan 0.000 0.472 9 S N 1.051 117.015 115.700 0.441 0.000 2.720 9 S HA 0.445 4.996 4.470 0.134 0.000 0.287 9 S C -0.997 173.846 174.600 0.406 0.000 1.168 9 S CA -1.003 57.443 58.200 0.411 0.000 0.832 9 S CB 2.061 65.536 63.200 0.458 0.000 1.166 9 S HN 0.738 nan 8.310 nan 0.000 0.493 10 Q N 0.585 120.575 119.800 0.317 0.000 2.394 10 Q HA 0.615 5.036 4.340 0.134 0.000 0.273 10 Q C -0.462 175.664 176.000 0.210 0.000 1.089 10 Q CA -1.114 54.821 55.803 0.221 0.000 0.812 10 Q CB 2.364 31.187 28.738 0.142 0.000 1.353 10 Q HN 0.804 nan 8.270 nan 0.000 0.438 11 V N -1.407 118.599 119.914 0.153 0.000 3.133 11 V HA 0.243 4.444 4.120 0.134 0.000 0.305 11 V C -0.222 175.900 176.094 0.047 0.000 1.084 11 V CA -0.389 62.023 62.300 0.187 0.000 1.089 11 V CB 0.697 32.638 31.823 0.197 0.000 1.073 11 V HN 0.713 nan 8.190 nan 0.000 0.477 12 H N 3.763 122.950 119.070 0.195 0.000 2.705 12 H HA 0.301 4.938 4.556 0.135 0.000 0.291 12 H C -1.670 173.726 175.328 0.114 0.000 1.085 12 H CA -1.369 54.763 56.048 0.139 0.000 1.357 12 H CB 1.473 31.310 29.762 0.126 0.000 1.419 12 H HN 0.626 nan 8.280 nan 0.000 0.462 13 P HA -0.095 nan 4.420 nan 0.000 0.225 13 P C 0.508 177.875 177.300 0.112 0.000 1.156 13 P CA 0.749 63.924 63.100 0.125 0.000 0.787 13 P CB 0.406 32.156 31.700 0.083 0.000 0.802 14 D N -1.232 119.241 120.400 0.121 0.000 2.340 14 D HA 0.038 4.759 4.640 0.134 0.000 0.217 14 D C 0.717 177.063 176.300 0.075 0.000 1.081 14 D CA 0.038 54.088 54.000 0.084 0.000 0.842 14 D CB -0.121 40.722 40.800 0.071 0.000 0.934 14 D HN 0.161 nan 8.370 nan 0.000 0.511 15 R N 0.378 120.938 120.500 0.100 0.000 2.873 15 R HA 0.574 4.995 4.340 0.134 0.000 0.264 15 R C -2.542 173.808 176.300 0.082 0.000 1.026 15 R CA -1.833 54.310 56.100 0.072 0.000 1.002 15 R CB 0.655 30.990 30.300 0.058 0.000 1.174 15 R HN -0.053 nan 8.270 nan 0.000 0.488 16 P HA 0.096 nan 4.420 nan 0.000 0.269 16 P C -2.336 175.014 177.300 0.082 0.000 1.215 16 P CA -0.941 62.197 63.100 0.062 0.000 0.780 16 P CB -0.111 31.614 31.700 0.043 0.000 0.898 17 P HA 0.036 nan 4.420 nan 0.000 0.271 17 P C -0.599 176.751 177.300 0.082 0.000 1.216 17 P CA 0.041 63.203 63.100 0.103 0.000 0.776 17 P CB 0.380 32.141 31.700 0.101 0.000 0.881 18 V N 3.242 123.211 119.914 0.092 0.000 2.572 18 V HA -0.021 4.180 4.120 0.134 0.000 0.291 18 V C 1.054 177.157 176.094 0.016 0.000 1.039 18 V CA 0.092 62.425 62.300 0.056 0.000 1.055 18 V CB 0.312 32.179 31.823 0.074 0.000 0.969 18 V HN 0.590 nan 8.190 nan 0.000 0.482 19 D N 4.570 124.973 120.400 0.005 0.000 2.398 19 D HA 0.082 4.803 4.640 0.134 0.000 0.250 19 D C 0.944 177.228 176.300 -0.028 0.000 1.287 19 D CA 0.261 54.259 54.000 -0.004 0.000 0.992 19 D CB 0.544 41.346 40.800 0.003 0.000 1.071 19 D HN 0.493 nan 8.370 nan 0.000 0.514 20 L N 2.344 123.540 121.223 -0.045 0.000 2.240 20 L HA -0.091 4.330 4.340 0.134 0.000 0.211 20 L C 1.685 178.534 176.870 -0.034 0.000 1.106 20 L CA 0.383 55.179 54.840 -0.073 0.000 0.793 20 L CB -0.099 41.887 42.059 -0.121 0.000 0.927 20 L HN 0.220 nan 8.230 nan 0.000 0.446 21 D N 0.947 121.342 120.400 -0.007 0.000 2.106 21 D HA -0.220 4.501 4.640 0.134 0.000 0.191 21 D C 2.254 178.573 176.300 0.031 0.000 0.997 21 D CA 1.784 55.791 54.000 0.012 0.000 0.834 21 D CB -0.124 40.682 40.800 0.010 0.000 0.956 21 D HN 0.311 nan 8.370 nan 0.000 0.448 22 A N 0.507 123.340 122.820 0.022 0.000 1.898 22 A HA -0.100 4.300 4.320 0.134 0.000 0.216 22 A C 2.294 179.884 177.584 0.011 0.000 1.181 22 A CA 1.068 53.127 52.037 0.037 0.000 0.620 22 A CB -0.891 18.119 19.000 0.016 0.000 0.819 22 A HN 0.274 nan 8.150 nan 0.000 0.442 23 L N -0.245 120.960 121.223 -0.031 0.000 1.989 23 L HA -0.169 4.252 4.340 0.134 0.000 0.211 23 L C 2.438 179.268 176.870 -0.067 0.000 1.071 23 L CA 1.857 56.653 54.840 -0.074 0.000 0.749 23 L CB -0.244 41.740 42.059 -0.125 0.000 0.890 23 L HN 0.212 nan 8.230 nan 0.000 0.431 24 V N -0.713 119.177 119.914 -0.041 0.000 2.307 24 V HA -0.318 3.883 4.120 0.134 0.000 0.245 24 V C 2.490 178.593 176.094 0.015 0.000 1.045 24 V CA 2.038 64.323 62.300 -0.026 0.000 1.024 24 V CB -0.901 30.917 31.823 -0.008 0.000 0.651 24 V HN 0.653 nan 8.190 nan 0.000 0.449 25 H N 0.621 119.665 119.070 -0.044 0.000 2.353 25 H HA -0.158 4.479 4.556 0.134 0.000 0.300 25 H C 2.410 177.717 175.328 -0.035 0.000 1.090 25 H CA 2.276 58.303 56.048 -0.036 0.000 1.327 25 H CB -0.170 29.575 29.762 -0.029 0.000 1.383 25 H HN 0.245 nan 8.280 nan 0.000 0.508 26 R N -0.264 120.098 120.500 -0.230 0.000 2.075 26 R HA -0.074 4.347 4.340 0.134 0.000 0.232 26 R C 2.446 178.635 176.300 -0.184 0.000 1.126 26 R CA 1.123 57.066 56.100 -0.262 0.000 0.963 26 R CB -0.382 29.834 30.300 -0.140 0.000 0.858 26 R HN 0.415 nan 8.270 nan 0.000 0.435 27 A N -0.075 122.672 122.820 -0.123 0.000 1.865 27 A HA -0.224 4.176 4.320 0.134 0.000 0.217 27 A C 2.180 179.713 177.584 -0.084 0.000 1.191 27 A CA 2.123 54.105 52.037 -0.093 0.000 0.623 27 A CB -0.998 17.953 19.000 -0.081 0.000 0.826 27 A HN 0.441 nan 8.150 nan 0.000 0.444 28 S N -0.859 114.795 115.700 -0.076 0.000 2.359 28 S HA -0.170 4.381 4.470 0.134 0.000 0.224 28 S C 2.370 176.932 174.600 -0.063 0.000 1.035 28 S CA 1.977 60.148 58.200 -0.049 0.000 1.018 28 S CB -0.482 62.716 63.200 -0.004 0.000 0.876 28 S HN 0.666 nan 8.310 nan 0.000 0.448 29 S N 0.327 115.952 115.700 -0.125 0.000 2.399 29 S HA -0.105 4.445 4.470 0.134 0.000 0.231 29 S C 1.918 176.463 174.600 -0.091 0.000 1.022 29 S CA 1.776 59.901 58.200 -0.126 0.000 0.983 29 S CB -0.354 62.696 63.200 -0.250 0.000 0.803 29 S HN 0.610 nan 8.310 nan 0.000 0.480 30 K N 0.197 120.540 120.400 -0.095 0.000 2.098 30 K HA 0.033 4.434 4.320 0.134 0.000 0.203 30 K C 1.847 178.420 176.600 -0.045 0.000 1.051 30 K CA 1.094 57.341 56.287 -0.066 0.000 0.957 30 K CB -0.150 32.309 32.500 -0.069 0.000 0.738 30 K HN 0.248 nan 8.250 nan 0.000 0.447 31 N N 1.229 119.903 118.700 -0.043 0.000 2.084 31 N HA -0.168 4.653 4.740 0.134 0.000 0.190 31 N C 1.684 177.181 175.510 -0.022 0.000 1.030 31 N CA 0.872 53.905 53.050 -0.028 0.000 0.849 31 N CB -0.308 38.163 38.487 -0.026 0.000 1.012 31 N HN 0.088 nan 8.380 nan 0.000 0.423 32 L N 1.334 122.542 121.223 -0.025 0.000 2.017 32 L HA -0.046 4.375 4.340 0.134 0.000 0.208 32 L C -0.940 175.918 176.870 -0.020 0.000 1.073 32 L CA 1.717 56.543 54.840 -0.023 0.000 0.745 32 L CB -1.364 40.682 42.059 -0.020 0.000 0.894 32 L HN 0.136 nan 8.230 nan 0.000 0.432 33 P HA -0.133 nan 4.420 nan 0.000 0.221 33 P C 1.478 178.772 177.300 -0.009 0.000 1.145 33 P CA 1.297 64.390 63.100 -0.013 0.000 0.795 33 P CB -0.016 31.676 31.700 -0.014 0.000 0.775 34 L N -2.329 118.887 121.223 -0.011 0.000 2.592 34 L HA 0.294 4.714 4.340 0.134 0.000 0.227 34 L C 1.156 178.025 176.870 -0.001 0.000 1.127 34 L CA 0.326 55.163 54.840 -0.005 0.000 0.884 34 L CB -0.863 41.192 42.059 -0.006 0.000 1.065 34 L HN 0.063 nan 8.230 nan 0.000 0.457 35 G N 1.436 110.234 108.800 -0.004 0.000 2.246 35 G HA2 -0.277 3.764 3.960 0.134 0.000 0.273 35 G HA3 -0.277 3.764 3.960 0.134 0.000 0.273 35 G C -0.086 174.815 174.900 0.003 0.000 1.055 35 G CA -0.011 45.088 45.100 -0.001 0.000 0.851 35 G HN 0.325 nan 8.290 nan 0.000 0.500 36 I N 0.982 121.551 120.570 -0.002 0.000 2.433 36 I HA 0.651 4.902 4.170 0.134 0.000 0.292 36 I C 0.517 176.637 176.117 0.005 0.000 1.001 36 I CA -0.332 60.971 61.300 0.004 0.000 1.119 36 I CB 2.277 40.278 38.000 0.001 0.000 1.289 36 I HN 0.307 nan 8.210 nan 0.000 0.438 37 T N 1.493 116.063 114.554 0.026 0.000 2.896 37 T HA 0.963 5.394 4.350 0.134 0.000 0.297 37 T C -0.311 174.419 174.700 0.050 0.000 1.108 37 T CA -0.711 61.420 62.100 0.051 0.000 1.004 37 T CB 2.435 71.363 68.868 0.100 0.000 1.159 37 T HN 1.010 nan 8.240 nan 0.000 0.499 38 G N 0.315 109.120 108.800 0.008 0.000 2.333 38 G HA2 0.499 4.540 3.960 0.134 0.000 0.288 38 G HA3 0.499 4.540 3.960 0.134 0.000 0.288 38 G C -1.839 172.829 174.900 -0.387 0.000 1.286 38 G CA -0.376 44.619 45.100 -0.175 0.000 0.865 38 G HN 1.525 nan 8.290 nan 0.000 0.506 39 I N -2.515 117.766 120.570 -0.481 0.000 2.994 39 I HA 0.887 5.138 4.170 0.134 0.000 0.306 39 I C -1.595 174.413 176.117 -0.181 0.000 1.195 39 I CA -1.390 59.698 61.300 -0.354 0.000 1.001 39 I CB 2.387 40.080 38.000 -0.512 0.000 1.244 39 I HN 0.687 nan 8.210 nan 0.000 0.437 40 L N 4.903 126.090 121.223 -0.061 0.000 2.349 40 L HA 0.641 5.062 4.340 0.134 0.000 0.278 40 L C -1.346 175.610 176.870 0.144 0.000 0.996 40 L CA -0.361 54.487 54.840 0.014 0.000 0.825 40 L CB 1.581 43.645 42.059 0.008 0.000 1.243 40 L HN 0.610 nan 8.230 nan 0.000 0.412 41 L N 4.769 126.111 121.223 0.198 0.000 2.334 41 L HA 0.571 4.991 4.340 0.134 0.000 0.275 41 L C -1.095 176.057 176.870 0.469 0.000 1.036 41 L CA -0.634 54.380 54.840 0.289 0.000 0.807 41 L CB 1.692 43.888 42.059 0.227 0.000 1.231 41 L HN 0.589 nan 8.230 nan 0.000 0.438 42 F N 2.506 122.633 119.950 0.295 0.000 2.574 42 F HA 0.341 4.949 4.527 0.135 0.000 0.313 42 F C -0.130 175.781 175.800 0.186 0.000 1.130 42 F CA -1.030 57.106 58.000 0.227 0.000 0.936 42 F CB 1.408 40.541 39.000 0.221 0.000 1.219 42 F HN 0.516 nan 8.300 nan 0.000 0.445 43 N N 2.624 121.036 118.700 -0.479 0.000 2.200 43 N HA 0.369 5.190 4.740 0.134 0.000 0.224 43 N C 0.903 176.000 175.510 -0.688 0.000 1.179 43 N CA 0.334 53.116 53.050 -0.448 0.000 0.877 43 N CB 1.026 39.350 38.487 -0.272 0.000 1.072 43 N HN 1.052 nan 8.380 nan 0.000 0.519 44 G N 0.005 107.934 108.800 -1.452 0.000 2.349 44 G HA2 -0.262 3.779 3.960 0.134 0.000 0.213 44 G HA3 -0.262 3.779 3.960 0.134 0.000 0.213 44 G C 0.383 175.015 174.900 -0.446 0.000 1.044 44 G CA 0.391 44.965 45.100 -0.876 0.000 0.633 44 G HN 0.232 nan 8.290 nan 0.000 0.506 45 L N 0.533 121.540 121.223 -0.360 0.000 2.685 45 L HA 0.528 4.949 4.340 0.134 0.000 0.235 45 L C 1.036 177.861 176.870 -0.075 0.000 1.070 45 L CA 1.016 55.781 54.840 -0.126 0.000 0.888 45 L CB 0.605 42.615 42.059 -0.082 0.000 1.203 45 L HN 0.443 nan 8.230 nan 0.000 0.499 46 Q N -1.544 118.201 119.800 -0.091 0.000 2.423 46 Q HA 0.527 4.948 4.340 0.134 0.000 0.278 46 Q C -1.576 174.493 176.000 0.115 0.000 1.097 46 Q CA -0.609 55.259 55.803 0.109 0.000 0.809 46 Q CB 2.597 31.553 28.738 0.365 0.000 1.391 46 Q HN -0.163 nan 8.270 nan 0.000 0.428 47 F N 0.974 121.182 119.950 0.429 0.000 2.507 47 F HA 0.613 5.220 4.527 0.134 0.000 0.327 47 F C -0.668 175.099 175.800 -0.054 0.000 1.068 47 F CA -0.868 57.303 58.000 0.284 0.000 0.965 47 F CB 1.166 40.339 39.000 0.288 0.000 1.192 47 F HN 0.410 nan 8.300 nan 0.000 0.476 48 F N 2.743 122.505 119.950 -0.314 0.000 2.579 48 F HA 0.443 5.051 4.527 0.134 0.000 0.325 48 F C -1.041 174.456 175.800 -0.505 0.000 1.162 48 F CA -0.295 57.281 58.000 -0.707 0.000 0.946 48 F CB 1.269 39.375 39.000 -1.490 0.000 1.211 48 F HN 0.487 nan 8.300 nan 0.000 0.447 49 Q N 5.122 124.295 119.800 -1.045 0.000 2.353 49 Q HA 0.718 5.139 4.340 0.134 0.000 0.268 49 Q C -1.920 173.604 176.000 -0.792 0.000 1.045 49 Q CA -0.900 54.433 55.803 -0.783 0.000 0.811 49 Q CB 2.481 30.756 28.738 -0.772 0.000 1.305 49 Q HN 0.590 nan 8.270 nan 0.000 0.447 50 V N 5.198 124.851 119.914 -0.434 0.000 2.417 50 V HA 0.510 4.711 4.120 0.134 0.000 0.291 50 V C -0.463 175.521 176.094 -0.183 0.000 1.024 50 V CA -0.579 61.553 62.300 -0.281 0.000 0.861 50 V CB 1.445 33.213 31.823 -0.091 0.000 0.985 50 V HN 0.717 nan 8.190 nan 0.000 0.436 51 L N 4.639 125.784 121.223 -0.129 0.000 2.381 51 L HA 0.694 5.115 4.340 0.134 0.000 0.268 51 L C -0.458 176.395 176.870 -0.028 0.000 0.997 51 L CA -0.500 54.302 54.840 -0.063 0.000 0.818 51 L CB 2.447 44.478 42.059 -0.047 0.000 1.310 51 L HN 0.619 nan 8.230 nan 0.000 0.416 52 E N 1.238 121.445 120.200 0.011 0.000 2.272 52 E HA 0.786 5.216 4.350 0.134 0.000 0.269 52 E C -0.476 176.139 176.600 0.024 0.000 0.877 52 E CA -0.707 55.708 56.400 0.026 0.000 0.755 52 E CB 2.826 32.571 29.700 0.074 0.000 1.192 52 E HN 0.764 nan 8.360 nan 0.000 0.422 53 G N 0.846 109.658 108.800 0.021 0.000 2.333 53 G HA2 0.176 4.216 3.960 0.134 0.000 0.288 53 G HA3 0.176 4.216 3.960 0.134 0.000 0.288 53 G C -0.633 174.286 174.900 0.031 0.000 1.286 53 G CA -0.415 44.700 45.100 0.026 0.000 0.865 53 G HN 0.516 nan 8.290 nan 0.000 0.506 54 T N -1.552 113.022 114.554 0.034 0.000 2.898 54 T HA 0.367 4.798 4.350 0.134 0.000 0.301 54 T C 1.200 175.924 174.700 0.040 0.000 1.049 54 T CA 0.852 62.980 62.100 0.047 0.000 1.095 54 T CB 1.920 70.812 68.868 0.041 0.000 0.976 54 T HN 0.756 nan 8.240 nan 0.000 0.539 55 E N 0.818 121.054 120.200 0.060 0.000 2.097 55 E HA -0.262 4.169 4.350 0.134 0.000 0.196 55 E C 1.733 178.349 176.600 0.027 0.000 1.000 55 E CA 1.792 58.214 56.400 0.037 0.000 0.804 55 E CB -0.053 29.693 29.700 0.078 0.000 0.740 55 E HN 0.830 nan 8.360 nan 0.000 0.454 56 E N 0.317 120.538 120.200 0.035 0.000 2.051 56 E HA -0.172 4.259 4.350 0.134 0.000 0.192 56 E C 1.860 178.474 176.600 0.024 0.000 0.991 56 E CA 1.393 57.810 56.400 0.027 0.000 0.799 56 E CB -0.315 29.401 29.700 0.026 0.000 0.748 56 E HN 0.393 nan 8.360 nan 0.000 0.449 57 A N 0.576 123.410 122.820 0.023 0.000 1.877 57 A HA -0.135 4.266 4.320 0.134 0.000 0.216 57 A C 2.195 179.795 177.584 0.026 0.000 1.186 57 A CA 1.211 53.260 52.037 0.020 0.000 0.620 57 A CB -0.657 18.353 19.000 0.017 0.000 0.822 57 A HN 0.190 nan 8.150 nan 0.000 0.443 58 L N -1.089 120.149 121.223 0.024 0.000 2.156 58 L HA -0.133 4.288 4.340 0.134 0.000 0.208 58 L C 2.551 179.463 176.870 0.070 0.000 1.095 58 L CA 1.496 56.355 54.840 0.031 0.000 0.770 58 L CB -0.518 41.533 42.059 -0.012 0.000 0.914 58 L HN 0.511 nan 8.230 nan 0.000 0.439 59 E N 0.292 120.524 120.200 0.053 0.000 2.038 59 E HA -0.255 4.175 4.350 0.134 0.000 0.195 59 E C 2.364 179.006 176.600 0.071 0.000 1.000 59 E CA 1.843 58.287 56.400 0.074 0.000 0.803 59 E CB -0.097 29.627 29.700 0.039 0.000 0.750 59 E HN 0.247 nan 8.360 nan 0.000 0.448 60 S N -0.838 114.887 115.700 0.042 0.000 2.356 60 S HA -0.149 4.402 4.470 0.134 0.000 0.223 60 S C 1.900 176.513 174.600 0.022 0.000 1.032 60 S CA 1.269 59.482 58.200 0.021 0.000 1.005 60 S CB -0.491 62.716 63.200 0.012 0.000 0.867 60 S HN 0.347 nan 8.310 nan 0.000 0.449 61 L N 0.913 122.162 121.223 0.044 0.000 1.994 61 L HA 0.098 4.518 4.340 0.134 0.000 0.208 61 L C 2.033 178.952 176.870 0.082 0.000 1.071 61 L CA 2.176 57.045 54.840 0.048 0.000 0.745 61 L CB -1.287 40.805 42.059 0.054 0.000 0.892 61 L HN 0.516 nan 8.230 nan 0.000 0.431 62 F N -0.666 119.252 119.950 -0.052 0.000 2.202 62 F HA -0.280 4.328 4.527 0.134 0.000 0.301 62 F C 2.672 178.409 175.800 -0.106 0.000 1.082 62 F CA 1.467 59.413 58.000 -0.090 0.000 1.313 62 F CB -0.116 38.831 39.000 -0.087 0.000 1.024 62 F HN 0.265 nan 8.300 nan 0.000 0.495 63 S N 0.108 115.722 115.700 -0.144 0.000 2.368 63 S HA -0.229 4.322 4.470 0.134 0.000 0.225 63 S C 1.864 176.348 174.600 -0.194 0.000 1.030 63 S CA 1.778 59.846 58.200 -0.219 0.000 0.999 63 S CB -0.363 62.776 63.200 -0.101 0.000 0.844 63 S HN 0.573 nan 8.310 nan 0.000 0.459 64 E N 0.259 120.389 120.200 -0.117 0.000 2.077 64 E HA -0.096 4.334 4.350 0.134 0.000 0.193 64 E C 2.060 178.594 176.600 -0.110 0.000 0.989 64 E CA 1.373 57.718 56.400 -0.092 0.000 0.800 64 E CB -0.234 29.432 29.700 -0.057 0.000 0.746 64 E HN 0.552 nan 8.360 nan 0.000 0.452 65 I N 1.219 121.713 120.570 -0.127 0.000 2.179 65 I HA -0.303 3.948 4.170 0.134 0.000 0.242 65 I C 2.531 178.578 176.117 -0.116 0.000 1.088 65 I CA 1.211 62.450 61.300 -0.101 0.000 1.357 65 I CB -0.243 37.724 38.000 -0.056 0.000 1.051 65 I HN 0.100 nan 8.210 nan 0.000 0.409 66 Q N 0.045 119.588 119.800 -0.428 0.000 2.181 66 Q HA -0.180 4.241 4.340 0.134 0.000 0.205 66 Q C 1.958 177.831 176.000 -0.212 0.000 0.980 66 Q CA 1.650 57.172 55.803 -0.467 0.000 0.862 66 Q CB -0.068 28.260 28.738 -0.683 0.000 0.905 66 Q HN 0.398 nan 8.270 nan 0.000 0.429 67 S N 0.416 116.029 115.700 -0.144 0.000 2.605 67 S HA 0.007 4.558 4.470 0.134 0.000 0.217 67 S C -0.020 174.580 174.600 -0.001 0.000 0.958 67 S CA -0.202 57.959 58.200 -0.065 0.000 0.919 67 S CB 0.133 63.290 63.200 -0.072 0.000 0.780 67 S HN 0.272 nan 8.310 nan 0.000 0.507 68 D N 2.695 123.119 120.400 0.041 0.000 2.348 68 D HA 0.110 4.830 4.640 0.134 0.000 0.253 68 D C -1.866 174.527 176.300 0.155 0.000 1.161 68 D CA -1.667 52.366 54.000 0.056 0.000 0.876 68 D CB 1.498 42.280 40.800 -0.031 0.000 1.160 68 D HN 0.049 nan 8.370 nan 0.000 0.459 69 P HA 0.026 nan 4.420 nan 0.000 0.237 69 P C 0.899 178.345 177.300 0.244 0.000 1.178 69 P CA 0.423 63.618 63.100 0.158 0.000 0.766 69 P CB 0.234 31.970 31.700 0.060 0.000 0.876 70 R N -0.681 119.929 120.500 0.182 0.000 2.280 70 R HA -0.007 4.414 4.340 0.134 0.000 0.207 70 R C 1.029 177.558 176.300 0.382 0.000 1.043 70 R CA 0.574 56.793 56.100 0.199 0.000 1.006 70 R CB -0.515 29.781 30.300 -0.007 0.000 0.885 70 R HN 0.573 nan 8.270 nan 0.000 0.467 71 H N -2.005 117.203 119.070 0.231 0.000 2.933 71 H HA 0.578 5.215 4.556 0.135 0.000 0.310 71 H C -0.932 174.432 175.328 0.061 0.000 1.351 71 H CA -1.604 54.541 56.048 0.162 0.000 1.137 71 H CB 1.372 31.295 29.762 0.269 0.000 1.853 71 H HN -0.113 nan 8.280 nan 0.000 0.539 72 R N -0.949 119.515 120.500 -0.060 0.000 2.766 72 R HA 0.297 4.718 4.340 0.134 0.000 0.270 72 R C -1.452 174.833 176.300 -0.025 0.000 1.035 72 R CA -0.722 55.328 56.100 -0.084 0.000 0.911 72 R CB 0.578 30.821 30.300 -0.094 0.000 1.243 72 R HN 0.680 nan 8.270 nan 0.000 0.460 73 D N -0.129 120.320 120.400 0.082 0.000 2.689 73 D HA -0.111 4.610 4.640 0.134 0.000 0.237 73 D C -0.555 175.818 176.300 0.121 0.000 1.148 73 D CA 0.733 54.877 54.000 0.241 0.000 0.656 73 D CB -1.197 39.846 40.800 0.405 0.000 1.050 73 D HN 0.302 nan 8.370 nan 0.000 0.426 74 V N 0.848 120.727 119.914 -0.058 0.000 2.439 74 V HA 0.169 4.369 4.120 0.134 0.000 0.271 74 V C 0.883 176.937 176.094 -0.066 0.000 1.040 74 V CA -0.284 61.953 62.300 -0.104 0.000 1.002 74 V CB 1.550 33.173 31.823 -0.333 0.000 1.000 74 V HN 0.046 nan 8.190 nan 0.000 0.477 75 V N 5.013 124.942 119.914 0.025 0.000 2.409 75 V HA 0.354 4.554 4.120 0.134 0.000 0.291 75 V C 0.139 176.248 176.094 0.025 0.000 1.020 75 V CA -0.756 61.506 62.300 -0.064 0.000 0.848 75 V CB 1.700 33.471 31.823 -0.087 0.000 0.990 75 V HN 0.932 nan 8.190 nan 0.000 0.430 76 E N 3.782 123.968 120.200 -0.022 0.000 2.289 76 E HA 0.345 4.776 4.350 0.134 0.000 0.278 76 E C 0.022 176.564 176.600 -0.098 0.000 1.032 76 E CA -0.356 56.010 56.400 -0.057 0.000 0.854 76 E CB 1.093 30.741 29.700 -0.086 0.000 1.046 76 E HN 0.690 nan 8.360 nan 0.000 0.409 77 L N 4.036 125.192 121.223 -0.112 0.000 2.500 77 L HA 0.345 4.765 4.340 0.134 0.000 0.219 77 L C 0.821 177.636 176.870 -0.092 0.000 1.057 77 L CA 0.094 54.882 54.840 -0.086 0.000 0.854 77 L CB 0.325 42.355 42.059 -0.049 0.000 1.078 77 L HN 0.601 nan 8.230 nan 0.000 0.480 78 M N -0.130 119.390 119.600 -0.134 0.000 2.414 78 M HA 0.389 4.950 4.480 0.134 0.000 0.287 78 M C -1.797 174.399 176.300 -0.173 0.000 1.181 78 M CA -0.452 54.773 55.300 -0.125 0.000 0.933 78 M CB 2.896 35.442 32.600 -0.091 0.000 1.732 78 M HN -0.086 nan 8.290 nan 0.000 0.486 79 R N 3.122 123.522 120.500 -0.166 0.000 2.605 79 R HA 0.406 4.826 4.340 0.134 0.000 0.291 79 R C -2.233 173.937 176.300 -0.217 0.000 1.226 79 R CA -0.269 55.710 56.100 -0.202 0.000 0.981 79 R CB 1.195 31.367 30.300 -0.214 0.000 1.215 79 R HN 0.803 nan 8.270 nan 0.000 0.428 80 D N 1.801 122.069 120.400 -0.220 0.000 2.602 80 D HA 0.223 4.944 4.640 0.134 0.000 0.236 80 D C -1.000 175.159 176.300 -0.235 0.000 1.209 80 D CA -0.379 53.481 54.000 -0.233 0.000 0.831 80 D CB 1.277 42.011 40.800 -0.109 0.000 1.478 80 D HN 0.214 nan 8.370 nan 0.000 0.438 81 Y N 0.460 120.738 120.300 -0.037 0.000 2.397 81 Y HA 0.322 4.953 4.550 0.134 0.000 0.335 81 Y C 1.097 176.970 175.900 -0.044 0.000 1.213 81 Y CA 0.195 58.275 58.100 -0.034 0.000 1.391 81 Y CB 0.845 39.292 38.460 -0.022 0.000 1.293 81 Y HN 0.014 nan 8.280 nan 0.000 0.557 82 S N 0.327 116.104 115.700 0.129 0.000 2.548 82 S HA 0.720 5.271 4.470 0.134 0.000 0.286 82 S C 0.293 174.905 174.600 0.020 0.000 1.098 82 S CA -0.124 58.079 58.200 0.005 0.000 0.930 82 S CB 1.350 64.513 63.200 -0.061 0.000 1.070 82 S HN 0.778 nan 8.310 nan 0.000 0.480 83 A N 2.268 125.083 122.820 -0.007 0.000 2.044 83 A HA 0.464 4.864 4.320 0.134 0.000 0.213 83 A C 0.034 177.737 177.584 0.199 0.000 1.169 83 A CA 0.732 52.834 52.037 0.109 0.000 0.724 83 A CB -0.271 18.847 19.000 0.197 0.000 0.840 83 A HN 1.241 nan 8.150 nan 0.000 0.463 84 Y N -3.473 116.844 120.300 0.028 0.000 2.656 84 Y HA 0.694 5.325 4.550 0.134 0.000 0.334 84 Y C -0.600 175.326 175.900 0.043 0.000 1.179 84 Y CA -1.720 56.398 58.100 0.029 0.000 1.050 84 Y CB 0.594 39.055 38.460 0.002 0.000 1.308 84 Y HN -0.048 nan 8.280 nan 0.000 0.456 85 R N 1.413 122.032 120.500 0.199 0.000 2.267 85 R HA 0.350 4.770 4.340 0.134 0.000 0.319 85 R C 0.192 176.588 176.300 0.160 0.000 1.067 85 R CA -0.432 55.755 56.100 0.144 0.000 0.936 85 R CB 0.679 31.126 30.300 0.246 0.000 1.006 85 R HN 0.851 nan 8.270 nan 0.000 0.452 86 R N 2.424 122.911 120.500 -0.022 0.000 2.200 86 R HA 0.046 4.467 4.340 0.134 0.000 0.208 86 R C -0.054 175.989 176.300 -0.429 0.000 1.033 86 R CA 0.990 56.965 56.100 -0.208 0.000 1.000 86 R CB 0.366 30.419 30.300 -0.410 0.000 0.906 86 R HN 0.457 nan 8.270 nan 0.000 0.462 87 F N 0.208 120.242 119.950 0.140 0.000 2.739 87 F HA 0.215 4.823 4.527 0.134 0.000 0.345 87 F C 0.223 176.131 175.800 0.180 0.000 1.373 87 F CA -0.957 57.144 58.000 0.169 0.000 1.160 87 F CB -0.056 39.038 39.000 0.156 0.000 1.137 87 F HN 0.010 nan 8.300 nan 0.000 0.524 88 H N 0.757 119.940 119.070 0.189 0.000 2.964 88 H HA 0.226 4.862 4.556 0.134 0.000 0.328 88 H C 1.298 176.729 175.328 0.170 0.000 1.030 88 H CA 1.714 57.855 56.048 0.154 0.000 1.445 88 H CB 0.922 30.748 29.762 0.108 0.000 1.449 88 H HN 0.743 nan 8.280 nan 0.000 0.581 89 G N 4.066 112.808 108.800 -0.096 0.000 2.148 89 G HA2 -0.240 3.800 3.960 0.134 0.000 0.254 89 G HA3 -0.240 3.800 3.960 0.134 0.000 0.254 89 G C -0.048 174.906 174.900 0.091 0.000 0.981 89 G CA 0.465 45.583 45.100 0.031 0.000 0.670 89 G HN 0.737 nan 8.290 nan 0.000 0.528 90 T N 0.197 114.825 114.554 0.124 0.000 2.892 90 T HA 0.579 5.010 4.350 0.134 0.000 0.311 90 T C 1.552 176.287 174.700 0.057 0.000 1.033 90 T CA 0.385 62.550 62.100 0.108 0.000 0.991 90 T CB 1.359 70.349 68.868 0.202 0.000 0.981 90 T HN 0.721 nan 8.240 nan 0.000 0.457 91 G N 2.776 111.586 108.800 0.017 0.000 2.480 91 G HA2 0.084 4.125 3.960 0.134 0.000 0.216 91 G HA3 0.084 4.125 3.960 0.134 0.000 0.216 91 G C 0.278 175.168 174.900 -0.017 0.000 1.200 91 G CA 1.064 46.161 45.100 -0.004 0.000 0.782 91 G HN 0.534 nan 8.290 nan 0.000 0.554 92 M N -2.340 117.245 119.600 -0.024 0.000 2.562 92 M HA 0.635 5.196 4.480 0.134 0.000 0.281 92 M C -1.428 174.844 176.300 -0.046 0.000 1.195 92 M CA -0.918 54.354 55.300 -0.047 0.000 0.888 92 M CB 2.142 34.711 32.600 -0.053 0.000 1.731 92 M HN 0.212 nan 8.290 nan 0.000 0.493 93 R N 2.724 123.188 120.500 -0.059 0.000 2.594 93 R HA 0.720 5.140 4.340 0.134 0.000 0.265 93 R C -2.031 174.263 176.300 -0.010 0.000 1.070 93 R CA -0.662 55.403 56.100 -0.058 0.000 0.909 93 R CB 1.723 31.937 30.300 -0.143 0.000 1.243 93 R HN 0.897 nan 8.270 nan 0.000 0.455 94 I N 3.972 124.560 120.570 0.029 0.000 2.392 94 I HA 0.390 4.641 4.170 0.134 0.000 0.295 94 I C -1.421 174.799 176.117 0.171 0.000 0.985 94 I CA -0.889 60.473 61.300 0.103 0.000 1.221 94 I CB 1.201 39.266 38.000 0.108 0.000 1.366 94 I HN 0.545 nan 8.210 nan 0.000 0.467 95 L N 7.223 128.586 121.223 0.232 0.000 2.319 95 L HA 0.393 4.814 4.340 0.134 0.000 0.281 95 L C -0.741 176.352 176.870 0.372 0.000 1.005 95 L CA -0.295 54.732 54.840 0.311 0.000 0.828 95 L CB 1.300 43.483 42.059 0.206 0.000 1.227 95 L HN 0.481 nan 8.230 nan 0.000 0.415 96 D N 3.588 124.246 120.400 0.430 0.000 2.380 96 D HA 0.176 4.897 4.640 0.134 0.000 0.230 96 D C 1.023 177.564 176.300 0.402 0.000 1.154 96 D CA -0.079 54.158 54.000 0.395 0.000 0.859 96 D CB 0.938 41.940 40.800 0.337 0.000 1.045 96 D HN 0.435 nan 8.370 nan 0.000 0.495 97 L N 3.305 124.703 121.223 0.292 0.000 2.275 97 L HA -0.058 4.363 4.340 0.134 0.000 0.215 97 L C 2.149 179.144 176.870 0.209 0.000 1.119 97 L CA 0.605 55.602 54.840 0.262 0.000 0.790 97 L CB -0.174 41.938 42.059 0.090 0.000 0.919 97 L HN 0.278 nan 8.230 nan 0.000 0.443 98 R N 0.217 120.781 120.500 0.107 0.000 2.280 98 R HA -0.009 4.412 4.340 0.134 0.000 0.207 98 R C 1.476 177.800 176.300 0.040 0.000 1.043 98 R CA 0.641 56.766 56.100 0.043 0.000 1.006 98 R CB -0.091 30.202 30.300 -0.011 0.000 0.885 98 R HN 0.376 nan 8.270 nan 0.000 0.467 99 L N 0.084 121.335 121.223 0.047 0.000 2.653 99 L HA 0.261 4.682 4.340 0.134 0.000 0.231 99 L C -0.464 176.142 176.870 -0.440 0.000 1.153 99 L CA -0.114 54.617 54.840 -0.181 0.000 0.933 99 L CB 0.170 42.075 42.059 -0.257 0.000 1.175 99 L HN -0.028 nan 8.230 nan 0.000 0.473 100 F N -1.089 118.877 119.950 0.027 0.000 2.588 100 F HA 0.421 5.029 4.527 0.135 0.000 0.314 100 F C 0.689 176.496 175.800 0.011 0.000 1.069 100 F CA -0.944 57.072 58.000 0.027 0.000 0.931 100 F CB 1.461 40.484 39.000 0.038 0.000 1.260 100 F HN -0.217 nan 8.300 nan 0.000 0.465 101 E N 0.014 120.335 120.200 0.201 0.000 2.322 101 E HA 0.117 4.548 4.350 0.134 0.000 0.257 101 E C -0.166 176.501 176.600 0.110 0.000 1.155 101 E CA -0.276 56.192 56.400 0.114 0.000 0.936 101 E CB 1.327 31.073 29.700 0.078 0.000 1.130 101 E HN 0.593 nan 8.360 nan 0.000 0.465 102 T N 0.956 115.544 114.554 0.057 0.000 2.946 102 T HA -0.079 4.352 4.350 0.134 0.000 0.312 102 T C 0.032 174.754 174.700 0.038 0.000 1.066 102 T CA 0.659 62.777 62.100 0.030 0.000 1.138 102 T CB -0.031 68.844 68.868 0.011 0.000 1.014 102 T HN 0.461 nan 8.240 nan 0.000 0.544 103 D N 1.647 122.057 120.400 0.016 0.000 2.394 103 D HA -0.192 4.529 4.640 0.134 0.000 0.169 103 D C 1.397 177.712 176.300 0.025 0.000 1.214 103 D CA 1.981 55.993 54.000 0.019 0.000 1.131 103 D CB -1.624 39.196 40.800 0.035 0.000 1.157 103 D HN 0.722 nan 8.370 nan 0.000 0.455 104 G N 0.596 109.437 108.800 0.068 0.000 2.402 104 G HA2 0.020 4.061 3.960 0.134 0.000 0.216 104 G HA3 0.020 4.061 3.960 0.134 0.000 0.216 104 G C 1.742 176.587 174.900 -0.092 0.000 1.162 104 G CA 2.202 47.392 45.100 0.149 0.000 0.777 104 G HN 0.643 nan 8.290 nan 0.000 0.539 105 A N 0.336 122.918 122.820 -0.396 0.000 1.873 105 A HA 0.114 4.515 4.320 0.134 0.000 0.215 105 A C 2.335 179.703 177.584 -0.359 0.000 1.186 105 A CA 1.385 52.925 52.037 -0.830 0.000 0.616 105 A CB -0.486 18.146 19.000 -0.613 0.000 0.823 105 A HN 0.301 nan 8.150 nan 0.000 0.442 106 L N 0.146 121.257 121.223 -0.187 0.000 2.083 106 L HA -0.157 4.264 4.340 0.134 0.000 0.209 106 L C 2.295 179.170 176.870 0.008 0.000 1.083 106 L CA 2.105 56.902 54.840 -0.072 0.000 0.752 106 L CB -0.812 41.221 42.059 -0.044 0.000 0.899 106 L HN 0.516 nan 8.230 nan 0.000 0.433 107 E N -1.049 119.154 120.200 0.005 0.000 2.106 107 E HA -0.272 4.158 4.350 0.134 0.000 0.192 107 E C 2.036 178.666 176.600 0.051 0.000 0.984 107 E CA 1.227 57.653 56.400 0.044 0.000 0.806 107 E CB -0.006 29.733 29.700 0.065 0.000 0.750 107 E HN 0.551 nan 8.360 nan 0.000 0.458 108 E N 0.719 120.947 120.200 0.046 0.000 2.051 108 E HA -0.200 4.231 4.350 0.134 0.000 0.192 108 E C 2.012 178.662 176.600 0.083 0.000 0.991 108 E CA 0.964 57.453 56.400 0.149 0.000 0.799 108 E CB 0.047 29.865 29.700 0.196 0.000 0.748 108 E HN 0.102 nan 8.360 nan 0.000 0.449 109 I N 1.132 121.663 120.570 -0.066 0.000 2.118 109 I HA -0.301 3.950 4.170 0.134 0.000 0.241 109 I C 2.390 178.262 176.117 -0.407 0.000 1.070 109 I CA 1.421 62.533 61.300 -0.313 0.000 1.327 109 I CB -1.035 36.935 38.000 -0.049 0.000 1.034 109 I HN 0.323 nan 8.210 nan 0.000 0.405 110 L N -0.126 121.018 121.223 -0.132 0.000 2.549 110 L HA -0.113 4.308 4.340 0.134 0.000 0.229 110 L C 2.516 179.336 176.870 -0.082 0.000 1.158 110 L CA 0.577 55.355 54.840 -0.102 0.000 0.842 110 L CB -0.459 41.586 42.059 -0.024 0.000 0.952 110 L HN 0.207 nan 8.230 nan 0.000 0.452 111 R N -0.221 120.257 120.500 -0.037 0.000 2.173 111 R HA -0.014 4.407 4.340 0.134 0.000 0.208 111 R C 1.447 177.847 176.300 0.166 0.000 1.035 111 R CA 0.927 57.078 56.100 0.084 0.000 1.004 111 R CB 0.131 30.537 30.300 0.176 0.000 0.917 111 R HN 0.438 nan 8.270 nan 0.000 0.462 112 F N -0.657 119.364 119.950 0.118 0.000 2.688 112 F HA 0.356 4.963 4.527 0.135 0.000 0.310 112 F C 0.488 176.375 175.800 0.145 0.000 1.098 112 F CA -1.073 57.010 58.000 0.138 0.000 1.228 112 F CB -0.216 38.885 39.000 0.168 0.000 1.042 112 F HN -0.270 nan 8.300 nan 0.000 0.557 113 S N 1.161 116.702 115.700 -0.264 0.000 2.600 113 S HA 0.627 5.178 4.470 0.134 0.000 0.265 113 S C 0.227 174.749 174.600 -0.129 0.000 1.325 113 S CA 0.283 58.288 58.200 -0.325 0.000 1.002 113 S CB 1.147 64.087 63.200 -0.433 0.000 0.921 113 S HN 0.487 nan 8.310 nan 0.000 0.554 121 V N 1.358 121.082 119.914 -0.316 0.000 3.444 121 V HA -0.020 4.181 4.120 0.134 0.000 0.271 121 V C 0.858 176.988 176.094 0.060 0.000 1.188 121 V CA 1.526 63.868 62.300 0.070 0.000 1.168 121 V CB -0.535 31.363 31.823 0.124 0.000 0.810 121 V HN 0.243 nan 8.190 nan 0.000 0.500 122 N N 0.544 119.239 118.700 -0.009 0.000 2.398 122 N HA 0.046 4.866 4.740 0.134 0.000 0.188 122 N C 0.099 175.630 175.510 0.036 0.000 1.122 122 N CA 0.253 53.312 53.050 0.014 0.000 0.866 122 N CB 0.146 38.629 38.487 -0.007 0.000 0.970 122 N HN 0.544 nan 8.380 nan 0.000 0.462 123 D N -0.050 120.382 120.400 0.054 0.000 2.193 123 D HA 0.185 4.906 4.640 0.134 0.000 0.244 123 D C 1.144 177.525 176.300 0.135 0.000 1.064 123 D CA -0.517 53.534 54.000 0.084 0.000 0.845 123 D CB 1.638 42.484 40.800 0.076 0.000 1.148 123 D HN -0.163 nan 8.370 nan 0.000 0.464 124 R N 3.667 124.223 120.500 0.092 0.000 2.092 124 R HA -0.098 4.322 4.340 0.134 0.000 0.231 124 R C 1.984 178.352 176.300 0.113 0.000 1.119 124 R CA 1.123 57.277 56.100 0.090 0.000 0.970 124 R CB -0.105 30.227 30.300 0.052 0.000 0.864 124 R HN 0.635 nan 8.270 nan 0.000 0.440 125 M N -0.157 119.511 119.600 0.114 0.000 2.108 125 M HA -0.201 4.359 4.480 0.134 0.000 0.261 125 M C 1.806 178.224 176.300 0.196 0.000 1.066 125 M CA 1.759 57.148 55.300 0.149 0.000 1.107 125 M CB -0.268 32.410 32.600 0.130 0.000 1.356 125 M HN 0.245 nan 8.290 nan 0.000 0.406 126 F N 1.162 121.145 119.950 0.055 0.000 2.134 126 F HA -0.185 4.422 4.527 0.134 0.000 0.299 126 F C 2.313 178.131 175.800 0.031 0.000 1.097 126 F CA 1.766 59.789 58.000 0.039 0.000 1.264 126 F CB -0.304 38.701 39.000 0.008 0.000 1.001 126 F HN 0.109 nan 8.300 nan 0.000 0.479 127 R N 0.052 120.637 120.500 0.142 0.000 2.096 127 R HA -0.140 4.280 4.340 0.134 0.000 0.235 127 R C 2.243 178.526 176.300 -0.029 0.000 1.127 127 R CA 1.676 57.800 56.100 0.040 0.000 0.968 127 R CB -0.627 29.735 30.300 0.103 0.000 0.861 127 R HN 0.379 nan 8.270 nan 0.000 0.440 128 L N 0.429 121.673 121.223 0.035 0.000 2.072 128 L HA -0.145 4.276 4.340 0.134 0.000 0.205 128 L C 2.403 179.214 176.870 -0.098 0.000 1.079 128 L CA 0.932 55.821 54.840 0.082 0.000 0.752 128 L CB -0.394 41.808 42.059 0.239 0.000 0.906 128 L HN 0.160 nan 8.230 nan 0.000 0.436 129 L N -0.677 120.447 121.223 -0.164 0.000 1.990 129 L HA -0.280 4.140 4.340 0.134 0.000 0.213 129 L C 2.758 179.373 176.870 -0.426 0.000 1.072 129 L CA 1.545 56.115 54.840 -0.450 0.000 0.755 129 L CB -0.498 41.415 42.059 -0.243 0.000 0.889 129 L HN 0.222 nan 8.230 nan 0.000 0.432 130 S N -0.373 115.072 115.700 -0.425 0.000 2.370 130 S HA -0.210 4.341 4.470 0.134 0.000 0.226 130 S C 2.138 176.607 174.600 -0.218 0.000 1.033 130 S CA 1.219 59.200 58.200 -0.366 0.000 1.011 130 S CB -0.416 62.544 63.200 -0.399 0.000 0.852 130 S HN 0.530 nan 8.310 nan 0.000 0.457 131 A N 0.792 123.519 122.820 -0.156 0.000 1.933 131 A HA -0.065 4.336 4.320 0.134 0.000 0.218 131 A C 1.898 179.429 177.584 -0.087 0.000 1.175 131 A CA 1.338 53.328 52.037 -0.078 0.000 0.628 131 A CB -0.792 18.209 19.000 0.002 0.000 0.814 131 A HN 0.493 nan 8.150 nan 0.000 0.444 132 F N 0.472 120.230 119.950 -0.319 0.000 2.146 132 F HA -0.085 4.523 4.527 0.134 0.000 0.298 132 F C 1.875 177.523 175.800 -0.254 0.000 1.096 132 F CA 1.524 59.322 58.000 -0.336 0.000 1.275 132 F CB -0.168 38.377 39.000 -0.759 0.000 1.008 132 F HN 0.168 nan 8.300 nan 0.000 0.480 133 I N -0.164 120.260 120.570 -0.244 0.000 2.394 133 I HA -0.230 4.021 4.170 0.134 0.000 0.251 133 I C 2.547 178.523 176.117 -0.236 0.000 1.136 133 I CA 1.064 62.219 61.300 -0.242 0.000 1.425 133 I CB -0.738 37.156 38.000 -0.177 0.000 1.079 133 I HN 0.215 nan 8.210 nan 0.000 0.425 134 A N -0.547 122.154 122.820 -0.198 0.000 1.874 134 A HA -0.126 4.275 4.320 0.134 0.000 0.214 134 A C 1.301 178.787 177.584 -0.163 0.000 1.189 134 A CA 1.567 53.514 52.037 -0.150 0.000 0.615 134 A CB -0.004 18.931 19.000 -0.107 0.000 0.830 134 A HN 0.354 nan 8.150 nan 0.000 0.443 135 D N -2.047 118.246 120.400 -0.179 0.000 3.100 135 D HA 0.284 5.005 4.640 0.134 0.000 0.350 135 D C 1.067 177.256 176.300 -0.185 0.000 1.310 135 D CA 0.460 54.361 54.000 -0.165 0.000 0.741 135 D CB -0.156 40.584 40.800 -0.100 0.000 1.248 135 D HN 0.129 nan 8.370 nan 0.000 0.527 136 G N -0.127 108.445 108.800 -0.381 0.000 2.448 136 G HA2 -0.159 3.882 3.960 0.134 0.000 0.219 136 G HA3 -0.159 3.882 3.960 0.134 0.000 0.219 136 G C 1.402 176.212 174.900 -0.151 0.000 1.127 136 G CA 0.710 45.539 45.100 -0.451 0.000 0.766 136 G HN 0.415 nan 8.290 nan 0.000 0.552 137 G N -0.075 108.620 108.800 -0.175 0.000 2.776 137 G HA2 -0.066 3.975 3.960 0.134 0.000 0.209 137 G HA3 -0.066 3.975 3.960 0.134 0.000 0.209 137 G C 1.533 176.404 174.900 -0.049 0.000 1.145 137 G CA 0.587 45.639 45.100 -0.078 0.000 0.791 137 G HN 0.471 nan 8.290 nan 0.000 0.530 138 R N -0.596 119.866 120.500 -0.062 0.000 2.080 138 R HA -0.118 4.303 4.340 0.134 0.000 0.236 138 R C 0.979 177.132 176.300 -0.244 0.000 1.137 138 R CA 1.268 57.262 56.100 -0.178 0.000 0.943 138 R CB -0.245 29.922 30.300 -0.222 0.000 0.846 138 R HN 0.436 nan 8.270 nan 0.000 0.431 139 Y N -0.786 119.581 120.300 0.112 0.000 2.625 139 Y HA 0.191 4.821 4.550 0.133 0.000 0.285 139 Y C 0.195 176.209 175.900 0.190 0.000 1.168 139 Y CA -0.796 57.409 58.100 0.175 0.000 1.250 139 Y CB 0.124 38.737 38.460 0.256 0.000 1.130 139 Y HN 0.112 nan 8.280 nan 0.000 0.526 140 C N 2.311 121.729 119.300 0.197 0.000 2.648 140 C HA 0.159 4.700 4.460 0.134 0.000 0.406 140 C C 0.691 175.680 174.990 -0.001 0.000 1.406 140 C CA -1.077 58.020 59.018 0.133 0.000 1.610 140 C CB -1.600 26.182 27.740 0.069 0.000 2.451 140 C HN 0.357 nan 8.230 nan 0.000 0.608 141 L N 10.396 131.560 121.223 -0.098 0.000 2.477 141 L HA 0.337 4.758 4.340 0.134 0.000 0.272 141 L C -1.898 174.857 176.870 -0.191 0.000 1.157 141 L CA -0.788 53.831 54.840 -0.369 0.000 0.889 141 L CB 0.235 41.875 42.059 -0.697 0.000 1.158 141 L HN 0.533 nan 8.230 nan 0.000 0.473 142 P HA 0.040 nan 4.420 nan 0.000 0.268 142 P C 0.282 177.546 177.300 -0.060 0.000 1.208 142 P CA -0.165 62.880 63.100 -0.091 0.000 0.777 142 P CB 0.519 32.170 31.700 -0.082 0.000 0.875 143 E N 3.175 123.363 120.200 -0.019 0.000 2.097 143 E HA -0.162 4.268 4.350 0.134 0.000 0.196 143 E C -0.694 175.928 176.600 0.037 0.000 1.000 143 E CA 2.022 58.428 56.400 0.010 0.000 0.804 143 E CB -1.973 27.735 29.700 0.014 0.000 0.740 143 E HN 0.527 nan 8.360 nan 0.000 0.454 144 P HA -0.048 nan 4.420 nan 0.000 0.233 144 P C 1.162 178.640 177.300 0.297 0.000 1.167 144 P CA 0.822 63.988 63.100 0.111 0.000 0.770 144 P CB -0.066 31.697 31.700 0.105 0.000 0.837 145 L N -1.039 120.283 121.223 0.164 0.000 2.653 145 L HA 0.132 4.552 4.340 0.134 0.000 0.231 145 L C 0.897 177.807 176.870 0.067 0.000 1.153 145 L CA -0.155 54.748 54.840 0.104 0.000 0.933 145 L CB -0.403 41.541 42.059 -0.191 0.000 1.175 145 L HN -0.084 nan 8.230 nan 0.000 0.473 146 Q N 0.900 120.777 119.800 0.129 0.000 2.289 146 Q HA 0.048 4.469 4.340 0.134 0.000 0.273 146 Q C -1.434 174.727 176.000 0.268 0.000 1.029 146 Q CA -1.301 54.580 55.803 0.129 0.000 0.896 146 Q CB 0.957 29.762 28.738 0.111 0.000 1.182 146 Q HN -0.013 nan 8.270 nan 0.000 0.385 147 P HA -0.185 nan 4.420 nan 0.000 0.217 147 P C 1.067 178.537 177.300 0.284 0.000 1.148 147 P CA 1.548 64.821 63.100 0.288 0.000 0.828 147 P CB 0.181 32.006 31.700 0.208 0.000 0.783 148 S N -1.488 114.334 115.700 0.203 0.000 2.555 148 S HA -0.005 4.546 4.470 0.134 0.000 0.230 148 S C 1.550 176.212 174.600 0.104 0.000 0.978 148 S CA 0.372 58.659 58.200 0.144 0.000 0.934 148 S CB -0.659 62.610 63.200 0.114 0.000 0.766 148 S HN 0.105 nan 8.310 nan 0.000 0.533 149 R N -0.302 120.267 120.500 0.114 0.000 2.317 149 R HA 0.256 4.677 4.340 0.134 0.000 0.208 149 R C -0.974 175.106 176.300 -0.366 0.000 0.914 149 R CA 0.063 56.093 56.100 -0.117 0.000 1.060 149 R CB -0.096 30.100 30.300 -0.174 0.000 1.015 149 R HN 0.494 nan 8.270 nan 0.000 0.498 150 W N 0.402 121.764 121.300 0.104 0.000 2.950 150 W HA 0.536 5.277 4.660 0.136 0.000 0.340 150 W C -0.318 176.239 176.519 0.062 0.000 1.139 150 W CA -0.876 56.537 57.345 0.114 0.000 1.188 150 W CB 1.328 30.919 29.460 0.218 0.000 1.426 150 W HN -0.247 nan 8.180 nan 0.000 0.531 151 M N 3.270 123.043 119.600 0.287 0.000 2.371 151 M HA 0.470 5.031 4.480 0.134 0.000 0.287 151 M C -1.385 174.986 176.300 0.118 0.000 1.149 151 M CA -0.617 54.774 55.300 0.151 0.000 0.929 151 M CB 1.513 34.165 32.600 0.087 0.000 1.683 151 M HN 0.243 nan 8.290 nan 0.000 0.470 152 M N 5.581 125.205 119.600 0.040 0.000 2.233 152 M HA 0.434 4.995 4.480 0.134 0.000 0.350 152 M C -0.621 175.692 176.300 0.022 0.000 1.176 152 M CA 0.232 55.528 55.300 -0.007 0.000 1.150 152 M CB 0.555 33.098 32.600 -0.095 0.000 1.530 152 M HN 0.838 nan 8.290 nan 0.000 0.459 153 M N 3.052 122.681 119.600 0.049 0.000 2.378 153 M HA 0.645 5.206 4.480 0.134 0.000 0.289 153 M C -2.844 173.488 176.300 0.053 0.000 1.136 153 M CA -1.841 53.490 55.300 0.052 0.000 0.917 153 M CB 2.379 35.026 32.600 0.078 0.000 1.669 153 M HN 0.204 nan 8.290 nan 0.000 0.461 154 P HA 0.302 nan 4.420 nan 0.000 0.276 154 P C -0.527 176.810 177.300 0.063 0.000 1.230 154 P CA 0.031 63.133 63.100 0.002 0.000 0.776 154 P CB 0.927 32.620 31.700 -0.011 0.000 0.888 159 A N 3.089 125.914 122.820 0.008 0.000 2.331 159 A HA 0.819 5.220 4.320 0.134 0.000 0.283 159 A C 0.602 178.189 177.584 0.006 0.000 1.142 159 A CA -0.052 51.990 52.037 0.008 0.000 0.812 159 A CB 0.523 19.524 19.000 0.002 0.000 1.074 159 A HN 1.480 nan 8.150 nan 0.000 0.497 160 A N 4.531 127.355 122.820 0.006 0.000 2.938 160 A HA 0.640 5.041 4.320 0.134 0.000 0.344 160 A C -2.511 175.076 177.584 0.006 0.000 1.142 160 A CA -1.269 50.771 52.037 0.006 0.000 0.841 160 A CB -0.101 18.902 19.000 0.006 0.000 1.083 160 A HN 0.637 nan 8.150 nan 0.000 0.479 161 P HA 0.431 nan 4.420 nan 0.000 0.281 161 P C -0.800 176.514 177.300 0.024 0.000 1.249 161 P CA -0.201 62.908 63.100 0.015 0.000 0.810 161 P CB 1.219 32.928 31.700 0.015 0.000 1.008 162 Q N -0.121 119.698 119.800 0.032 0.000 2.379 162 Q HA 0.229 4.650 4.340 0.134 0.000 0.278 162 Q C -1.024 175.021 176.000 0.075 0.000 1.068 162 Q CA -0.709 55.123 55.803 0.048 0.000 0.816 162 Q CB 1.979 30.733 28.738 0.027 0.000 1.387 162 Q HN 0.616 nan 8.270 nan 0.000 0.413 163 H N 4.120 123.187 119.070 -0.005 0.000 2.610 163 H HA 0.296 4.933 4.556 0.135 0.000 0.336 163 H C -1.189 174.137 175.328 -0.003 0.000 1.087 163 H CA -0.035 56.007 56.048 -0.009 0.000 1.405 163 H CB 0.675 30.428 29.762 -0.014 0.000 1.460 163 H HN 0.507 nan 8.280 nan 0.000 0.538 164 L N 8.683 129.600 121.223 -0.510 0.000 2.356 164 L HA 0.273 4.694 4.340 0.134 0.000 0.264 164 L C -2.146 174.412 176.870 -0.519 0.000 1.029 164 L CA -1.907 52.715 54.840 -0.364 0.000 0.897 164 L CB 1.550 43.513 42.059 -0.160 0.000 1.256 164 L HN 0.532 nan 8.230 nan 0.000 0.444 165 P HA 0.217 nan 4.420 nan 0.000 0.275 165 P C 0.824 178.056 177.300 -0.112 0.000 1.266 165 P CA 0.228 63.185 63.100 -0.239 0.000 0.793 165 P CB 1.042 32.739 31.700 -0.004 0.000 1.074 166 G N -1.328 107.439 108.800 -0.055 0.000 2.205 166 G HA2 -0.220 3.821 3.960 0.134 0.000 0.261 166 G HA3 -0.220 3.821 3.960 0.134 0.000 0.261 166 G C 0.040 174.907 174.900 -0.054 0.000 0.980 166 G CA -0.030 45.055 45.100 -0.025 0.000 0.632 166 G HN 0.641 nan 8.290 nan 0.000 0.533 167 Q N 0.193 119.903 119.800 -0.150 0.000 2.245 167 Q HA 0.436 4.857 4.340 0.134 0.000 0.256 167 Q C -1.472 174.354 176.000 -0.290 0.000 0.942 167 Q CA -1.582 54.017 55.803 -0.340 0.000 0.896 167 Q CB 2.153 30.611 28.738 -0.467 0.000 1.272 167 Q HN 0.196 nan 8.270 nan 0.000 0.442 168 P HA -0.030 nan 4.420 nan 0.000 0.233 168 P C 0.069 177.321 177.300 -0.080 0.000 1.167 168 P CA 0.492 63.532 63.100 -0.100 0.000 0.770 168 P CB 0.176 31.924 31.700 0.079 0.000 0.837 169 C N -3.009 116.123 119.300 -0.280 0.000 3.318 169 C HA 0.695 5.236 4.460 0.134 0.000 0.322 169 C C -0.947 173.850 174.990 -0.321 0.000 1.398 169 C CA -0.903 57.960 59.018 -0.257 0.000 1.339 169 C CB 1.886 29.469 27.740 -0.263 0.000 1.668 169 C HN 0.094 nan 8.230 nan 0.000 0.462 170 Q N -0.307 119.292 119.800 -0.335 0.000 2.633 170 Q HA 0.787 5.207 4.340 0.134 0.000 0.292 170 Q C -1.905 173.840 176.000 -0.424 0.000 1.089 170 Q CA -0.444 55.231 55.803 -0.214 0.000 0.811 170 Q CB 2.560 31.227 28.738 -0.117 0.000 1.472 170 Q HN 0.690 nan 8.270 nan 0.000 0.464 171 F N 0.088 120.029 119.950 -0.014 0.000 2.561 171 F HA 0.610 5.218 4.527 0.135 0.000 0.313 171 F C -0.488 175.322 175.800 0.016 0.000 1.126 171 F CA -0.788 57.217 58.000 0.009 0.000 0.918 171 F CB 1.935 40.943 39.000 0.013 0.000 1.199 171 F HN 0.582 nan 8.300 nan 0.000 0.444 172 A N 3.171 126.103 122.820 0.187 0.000 2.303 172 A HA 0.828 5.228 4.320 0.134 0.000 0.317 172 A C -1.434 176.257 177.584 0.178 0.000 1.149 172 A CA -0.473 51.650 52.037 0.143 0.000 0.822 172 A CB 0.770 19.832 19.000 0.104 0.000 1.131 172 A HN 0.582 nan 8.150 nan 0.000 0.493 173 L N 1.323 122.630 121.223 0.141 0.000 2.322 173 L HA 0.500 4.921 4.340 0.134 0.000 0.281 173 L C 0.152 177.153 176.870 0.219 0.000 1.014 173 L CA 0.177 55.119 54.840 0.170 0.000 0.815 173 L CB 1.557 43.657 42.059 0.069 0.000 1.247 173 L HN 0.862 nan 8.230 nan 0.000 0.421 174 Q N 2.136 122.089 119.800 0.255 0.000 2.333 174 Q HA 0.799 5.219 4.340 0.134 0.000 0.267 174 Q C -0.804 175.323 176.000 0.211 0.000 1.012 174 Q CA -0.787 55.153 55.803 0.228 0.000 0.824 174 Q CB 2.054 30.906 28.738 0.191 0.000 1.290 174 Q HN 0.791 nan 8.270 nan 0.000 0.449 175 A N 3.716 126.604 122.820 0.113 0.000 2.407 175 A HA 0.431 4.832 4.320 0.134 0.000 0.248 175 A C -0.630 176.868 177.584 -0.143 0.000 1.082 175 A CA -0.211 51.700 52.037 -0.210 0.000 0.785 175 A CB 0.196 19.027 19.000 -0.281 0.000 1.020 175 A HN 0.684 nan 8.150 nan 0.000 0.489 176 I N 1.952 122.388 120.570 -0.224 0.000 2.354 176 I HA 0.430 4.680 4.170 0.134 0.000 0.292 176 I C 0.111 176.134 176.117 -0.156 0.000 0.989 176 I CA -0.226 60.997 61.300 -0.129 0.000 1.188 176 I CB 1.776 39.727 38.000 -0.082 0.000 1.342 176 I HN 0.512 nan 8.210 nan 0.000 0.457 177 V N 2.187 122.027 119.914 -0.123 0.000 2.864 177 V HA 0.642 4.843 4.120 0.134 0.000 0.314 177 V C -0.466 175.653 176.094 0.042 0.000 1.073 177 V CA -0.682 61.588 62.300 -0.051 0.000 0.956 177 V CB 1.897 33.622 31.823 -0.163 0.000 1.023 177 V HN 0.803 nan 8.190 nan 0.000 0.435 178 E N 3.931 124.214 120.200 0.138 0.000 2.173 178 E HA 0.442 4.873 4.350 0.134 0.000 0.249 178 E C -2.132 174.569 176.600 0.169 0.000 0.923 178 E CA -2.054 54.431 56.400 0.141 0.000 0.754 178 E CB 1.951 31.692 29.700 0.069 0.000 1.177 178 E HN 0.631 nan 8.360 nan 0.000 0.430 179 P HA -0.129 nan 4.420 nan 0.000 0.220 179 P C 0.904 178.247 177.300 0.071 0.000 1.148 179 P CA 0.965 64.179 63.100 0.189 0.000 0.803 179 P CB 0.272 32.050 31.700 0.131 0.000 0.782 180 A N 0.144 123.049 122.820 0.141 0.000 1.972 180 A HA -0.175 4.226 4.320 0.134 0.000 0.219 180 A C 1.902 179.488 177.584 0.004 0.000 1.169 180 A CA 1.544 53.645 52.037 0.106 0.000 0.635 180 A CB -0.781 18.293 19.000 0.123 0.000 0.810 180 A HN 0.190 nan 8.150 nan 0.000 0.446 181 K N -0.973 119.397 120.400 -0.050 0.000 2.358 181 K HA 0.145 4.546 4.320 0.134 0.000 0.200 181 K C -0.496 175.948 176.600 -0.261 0.000 1.030 181 K CA -0.174 56.050 56.287 -0.104 0.000 1.097 181 K CB 0.374 32.845 32.500 -0.049 0.000 0.862 181 K HN 0.342 nan 8.250 nan 0.000 0.534 182 K N 1.667 121.766 120.400 -0.502 0.000 3.490 182 K HA -0.225 4.176 4.320 0.134 0.000 0.273 182 K C -0.421 175.735 176.600 -0.740 0.000 0.916 182 K CA 0.564 56.098 56.287 -1.254 0.000 0.718 182 K CB -1.009 30.761 32.500 -1.216 0.000 1.477 182 K HN 0.264 nan 8.250 nan 0.000 0.452 183 R N 0.517 120.870 120.500 -0.245 0.000 2.628 183 R HA 0.344 4.764 4.340 0.134 0.000 0.288 183 R C -0.713 175.727 176.300 0.234 0.000 0.980 183 R CA -0.740 55.398 56.100 0.063 0.000 0.891 183 R CB 1.644 31.961 30.300 0.028 0.000 1.188 183 R HN 0.014 nan 8.270 nan 0.000 0.450 184 V N 3.626 123.646 119.914 0.177 0.000 2.455 184 V HA 0.045 4.246 4.120 0.134 0.000 0.273 184 V C 1.269 177.329 176.094 -0.056 0.000 1.045 184 V CA 0.264 62.528 62.300 -0.059 0.000 0.976 184 V CB 1.245 32.853 31.823 -0.359 0.000 0.993 184 V HN 0.988 nan 8.190 nan 0.000 0.475 185 S N 4.045 119.698 115.700 -0.079 0.000 2.356 185 S HA 0.038 4.589 4.470 0.134 0.000 0.219 185 S C 0.870 175.459 174.600 -0.019 0.000 1.036 185 S CA 0.866 59.064 58.200 -0.005 0.000 0.965 185 S CB 0.188 63.375 63.200 -0.021 0.000 0.864 185 S HN 1.016 nan 8.310 nan 0.000 0.471 186 S N -1.269 114.328 115.700 -0.173 0.000 2.671 186 S HA 0.728 5.278 4.470 0.134 0.000 0.277 186 S C -1.473 172.906 174.600 -0.368 0.000 1.165 186 S CA -0.927 57.197 58.200 -0.126 0.000 0.822 186 S CB 0.900 64.105 63.200 0.007 0.000 1.150 186 S HN 0.240 nan 8.310 nan 0.000 0.479 187 F N 0.753 120.720 119.950 0.029 0.000 2.507 187 F HA 0.557 5.164 4.527 0.134 0.000 0.325 187 F C 0.224 176.054 175.800 0.050 0.000 1.116 187 F CA -0.471 57.545 58.000 0.026 0.000 0.930 187 F CB 2.025 41.034 39.000 0.014 0.000 1.146 187 F HN 0.806 nan 8.300 nan 0.000 0.447 188 E N 2.346 122.682 120.200 0.228 0.000 2.197 188 E HA 0.664 5.094 4.350 0.134 0.000 0.281 188 E C -1.035 175.681 176.600 0.193 0.000 0.995 188 E CA -0.784 55.722 56.400 0.177 0.000 0.808 188 E CB 1.308 31.092 29.700 0.140 0.000 1.093 188 E HN 0.710 nan 8.360 nan 0.000 0.394 189 A N 5.839 128.755 122.820 0.161 0.000 2.309 189 A HA 0.407 4.808 4.320 0.134 0.000 0.290 189 A C -0.694 177.087 177.584 0.328 0.000 1.206 189 A CA -0.473 51.677 52.037 0.188 0.000 0.850 189 A CB 0.066 19.039 19.000 -0.045 0.000 1.118 189 A HN 0.663 nan 8.150 nan 0.000 0.523 190 L N 4.033 125.478 121.223 0.369 0.000 2.319 190 L HA 0.442 4.862 4.340 0.134 0.000 0.281 190 L C 0.057 177.040 176.870 0.189 0.000 1.005 190 L CA -0.439 54.569 54.840 0.280 0.000 0.828 190 L CB 1.489 43.659 42.059 0.186 0.000 1.227 190 L HN 0.715 nan 8.230 nan 0.000 0.415 191 I N 3.930 124.523 120.570 0.039 0.000 2.634 191 I HA 0.182 4.433 4.170 0.134 0.000 0.284 191 I C -0.150 175.789 176.117 -0.297 0.000 1.124 191 I CA 0.078 61.080 61.300 -0.497 0.000 1.417 191 I CB 0.107 37.855 38.000 -0.421 0.000 1.396 191 I HN 0.640 nan 8.210 nan 0.000 0.571 192 R N 4.590 124.851 120.500 -0.398 0.000 2.837 192 R HA 0.375 4.796 4.340 0.134 0.000 0.271 192 R C -0.639 175.529 176.300 -0.220 0.000 0.993 192 R CA -0.706 55.267 56.100 -0.211 0.000 0.931 192 R CB 1.808 32.029 30.300 -0.132 0.000 1.206 192 R HN 0.764 nan 8.270 nan 0.000 0.474 193 S N 0.524 116.138 115.700 -0.143 0.000 2.608 193 S HA 0.217 4.767 4.470 0.134 0.000 0.261 193 S C -1.710 172.835 174.600 -0.090 0.000 1.314 193 S CA -0.841 57.283 58.200 -0.128 0.000 0.992 193 S CB 0.900 64.040 63.200 -0.100 0.000 0.935 193 S HN 0.282 nan 8.310 nan 0.000 0.564 194 P HA 0.000 nan 4.420 nan 0.000 0.221 194 P C 0.699 178.038 177.300 0.065 0.000 1.145 194 P CA 1.154 64.248 63.100 -0.010 0.000 0.795 194 P CB -0.259 31.432 31.700 -0.015 0.000 0.775 195 T N -2.217 112.339 114.554 0.003 0.000 3.163 195 T HA 0.358 4.789 4.350 0.134 0.000 0.252 195 T C 1.339 176.030 174.700 -0.015 0.000 1.056 195 T CA 0.414 62.505 62.100 -0.015 0.000 0.947 195 T CB -0.361 68.483 68.868 -0.040 0.000 1.016 195 T HN 0.232 nan 8.240 nan 0.000 0.554 196 G N 1.222 110.021 108.800 -0.002 0.000 2.143 196 G HA2 -0.152 3.889 3.960 0.134 0.000 0.249 196 G HA3 -0.152 3.889 3.960 0.134 0.000 0.249 196 G C 0.449 175.334 174.900 -0.025 0.000 0.981 196 G CA -0.320 44.775 45.100 -0.008 0.000 0.665 196 G HN 0.868 nan 8.290 nan 0.000 0.528 197 G N -0.004 108.774 108.800 -0.038 0.000 2.580 197 G HA2 0.668 4.709 3.960 0.134 0.000 0.278 197 G HA3 0.668 4.709 3.960 0.134 0.000 0.278 197 G C 0.795 175.674 174.900 -0.035 0.000 1.212 197 G CA 0.810 45.889 45.100 -0.035 0.000 0.939 197 G HN 1.609 nan 8.290 nan 0.000 0.513 198 S N 0.156 115.846 115.700 -0.017 0.000 2.596 198 S HA 0.192 4.743 4.470 0.134 0.000 0.260 198 S C -1.514 173.086 174.600 0.001 0.000 1.336 198 S CA -0.588 57.614 58.200 0.004 0.000 0.993 198 S CB 1.388 64.601 63.200 0.022 0.000 0.923 198 S HN 0.250 nan 8.310 nan 0.000 0.567 199 P HA -0.082 nan 4.420 nan 0.000 0.216 199 P C 1.530 178.936 177.300 0.176 0.000 1.150 199 P CA 0.707 63.870 63.100 0.106 0.000 0.837 199 P CB -0.175 31.634 31.700 0.182 0.000 0.786 200 V N 0.022 120.008 119.914 0.119 0.000 2.343 200 V HA -0.242 3.958 4.120 0.134 0.000 0.247 200 V C 2.477 178.604 176.094 0.054 0.000 1.051 200 V CA 1.916 64.275 62.300 0.099 0.000 1.036 200 V CB -1.123 30.729 31.823 0.049 0.000 0.654 200 V HN 0.194 nan 8.190 nan 0.000 0.451 201 E N -0.440 119.766 120.200 0.011 0.000 2.077 201 E HA -0.295 4.136 4.350 0.134 0.000 0.193 201 E C 2.139 178.693 176.600 -0.077 0.000 0.989 201 E CA 1.741 58.123 56.400 -0.030 0.000 0.800 201 E CB -0.119 29.560 29.700 -0.035 0.000 0.746 201 E HN 0.486 nan 8.360 nan 0.000 0.452 202 M N -0.177 119.356 119.600 -0.111 0.000 2.067 202 M HA -0.124 4.437 4.480 0.134 0.000 0.260 202 M C 1.582 177.674 176.300 -0.346 0.000 1.069 202 M CA 1.679 56.825 55.300 -0.255 0.000 1.117 202 M CB -0.459 31.943 32.600 -0.330 0.000 1.334 202 M HN 0.129 nan 8.290 nan 0.000 0.407 203 F N 0.173 120.039 119.950 -0.140 0.000 2.293 203 F HA 0.069 4.677 4.527 0.135 0.000 0.300 203 F C 2.365 178.055 175.800 -0.183 0.000 1.086 203 F CA 1.090 58.983 58.000 -0.178 0.000 1.375 203 F CB -1.158 37.782 39.000 -0.100 0.000 1.045 203 F HN 0.286 nan 8.300 nan 0.000 0.516 204 A N -0.102 122.726 122.820 0.014 0.000 1.972 204 A HA -0.015 4.386 4.320 0.134 0.000 0.219 204 A C 2.323 179.856 177.584 -0.084 0.000 1.169 204 A CA 1.455 53.472 52.037 -0.032 0.000 0.635 204 A CB -1.072 17.911 19.000 -0.028 0.000 0.810 204 A HN 0.255 nan 8.150 nan 0.000 0.446 205 A N -1.004 121.733 122.820 -0.138 0.000 2.206 205 A HA 0.304 4.705 4.320 0.134 0.000 0.211 205 A C 0.683 178.142 177.584 -0.208 0.000 1.158 205 A CA 0.312 52.251 52.037 -0.163 0.000 0.761 205 A CB -0.233 18.659 19.000 -0.181 0.000 0.801 205 A HN 0.333 nan 8.150 nan 0.000 0.473 206 I N 0.162 120.583 120.570 -0.248 0.000 2.437 206 I HA 0.429 4.680 4.170 0.134 0.000 0.298 206 I C 0.784 176.820 176.117 -0.135 0.000 0.984 206 I CA -1.078 60.064 61.300 -0.265 0.000 1.214 206 I CB 0.822 38.569 38.000 -0.422 0.000 1.365 206 I HN 0.166 nan 8.210 nan 0.000 0.469 207 A N 4.294 127.053 122.820 -0.101 0.000 2.511 207 A HA 0.404 4.805 4.320 0.134 0.000 0.242 207 A C 1.422 178.964 177.584 -0.070 0.000 1.069 207 A CA 0.416 52.413 52.037 -0.068 0.000 0.763 207 A CB 0.238 19.211 19.000 -0.045 0.000 1.001 207 A HN 0.991 nan 8.150 nan 0.000 0.498 208 A N 2.018 124.795 122.820 -0.073 0.000 1.927 208 A HA -0.207 4.194 4.320 0.134 0.000 0.220 208 A C 1.807 179.318 177.584 -0.122 0.000 1.185 208 A CA 1.969 53.945 52.037 -0.101 0.000 0.639 208 A CB -0.468 18.480 19.000 -0.086 0.000 0.820 208 A HN 0.903 nan 8.150 nan 0.000 0.451 209 E N -0.039 120.116 120.200 -0.075 0.000 2.347 209 E HA -0.128 4.303 4.350 0.134 0.000 0.196 209 E C -0.003 176.558 176.600 -0.064 0.000 1.008 209 E CA 1.313 57.680 56.400 -0.056 0.000 0.852 209 E CB -0.485 29.209 29.700 -0.011 0.000 0.783 209 E HN 0.693 nan 8.360 nan 0.000 0.505 210 D N 0.252 120.618 120.400 -0.056 0.000 2.395 210 D HA 0.148 4.869 4.640 0.134 0.000 0.213 210 D C 1.472 177.779 176.300 0.011 0.000 1.110 210 D CA -0.180 53.807 54.000 -0.022 0.000 0.835 210 D CB 0.299 41.113 40.800 0.024 0.000 0.965 210 D HN 0.019 nan 8.370 nan 0.000 0.505 211 R N -0.294 120.171 120.500 -0.058 0.000 2.115 211 R HA -0.097 4.324 4.340 0.134 0.000 0.230 211 R C 1.188 177.517 176.300 0.048 0.000 1.111 211 R CA 0.990 57.105 56.100 0.025 0.000 0.976 211 R CB -0.111 30.097 30.300 -0.153 0.000 0.870 211 R HN 0.239 nan 8.270 nan 0.000 0.445 212 Y N 0.451 120.701 120.300 -0.084 0.000 2.163 212 Y HA -0.138 4.494 4.550 0.137 0.000 0.288 212 Y C 2.499 178.328 175.900 -0.119 0.000 1.136 212 Y CA 1.037 59.045 58.100 -0.153 0.000 1.147 212 Y CB -0.429 37.838 38.460 -0.322 0.000 0.987 212 Y HN -0.043 nan 8.280 nan 0.000 0.509 213 R N -0.531 119.939 120.500 -0.049 0.000 2.081 213 R HA -0.216 4.204 4.340 0.134 0.000 0.235 213 R C 2.256 178.620 176.300 0.106 0.000 1.131 213 R CA 1.708 57.820 56.100 0.021 0.000 0.960 213 R CB -0.738 29.592 30.300 0.050 0.000 0.856 213 R HN 0.371 nan 8.270 nan 0.000 0.436 214 F N 1.641 121.625 119.950 0.057 0.000 2.186 214 F HA -0.182 4.426 4.527 0.135 0.000 0.299 214 F C 1.962 177.856 175.800 0.156 0.000 1.090 214 F CA 1.906 59.958 58.000 0.085 0.000 1.307 214 F CB -0.287 38.750 39.000 0.062 0.000 1.019 214 F HN 0.086 nan 8.300 nan 0.000 0.489 215 D N 0.333 120.979 120.400 0.411 0.000 2.097 215 D HA -0.212 4.508 4.640 0.134 0.000 0.195 215 D C 2.138 178.546 176.300 0.180 0.000 0.989 215 D CA 1.523 55.770 54.000 0.413 0.000 0.827 215 D CB -0.364 40.685 40.800 0.415 0.000 0.966 215 D HN 0.328 nan 8.370 nan 0.000 0.456 216 L N 0.853 122.143 121.223 0.112 0.000 2.005 216 L HA -0.045 4.376 4.340 0.134 0.000 0.207 216 L C 2.031 178.900 176.870 -0.001 0.000 1.072 216 L CA 1.791 56.670 54.840 0.066 0.000 0.744 216 L CB -0.592 41.471 42.059 0.006 0.000 0.895 216 L HN 0.035 nan 8.230 nan 0.000 0.433 217 E N -0.666 119.429 120.200 -0.175 0.000 2.268 217 E HA -0.154 4.276 4.350 0.134 0.000 0.195 217 E C 2.133 178.756 176.600 0.038 0.000 0.995 217 E CA 1.056 57.334 56.400 -0.204 0.000 0.836 217 E CB -0.154 29.393 29.700 -0.255 0.000 0.763 217 E HN 0.727 nan 8.360 nan 0.000 0.491 218 S N 1.173 116.808 115.700 -0.109 0.000 2.442 218 S HA -0.111 4.440 4.470 0.134 0.000 0.236 218 S C 1.724 176.457 174.600 0.223 0.000 1.007 218 S CA 0.670 58.888 58.200 0.031 0.000 0.965 218 S CB -0.031 63.052 63.200 -0.195 0.000 0.773 218 S HN 0.023 nan 8.310 nan 0.000 0.504 219 K N 1.970 122.389 120.400 0.032 0.000 2.283 219 K HA 0.231 4.632 4.320 0.134 0.000 0.202 219 K C 2.301 178.481 176.600 -0.700 0.000 1.048 219 K CA 1.052 57.090 56.287 -0.415 0.000 0.948 219 K CB -1.244 31.010 32.500 -0.411 0.000 0.742 219 K HN 0.535 nan 8.250 nan 0.000 0.458 220 A N 0.427 123.112 122.820 -0.225 0.000 1.940 220 A HA -0.192 4.209 4.320 0.134 0.000 0.219 220 A C 1.792 179.171 177.584 -0.342 0.000 1.176 220 A CA 1.361 53.244 52.037 -0.256 0.000 0.631 220 A CB -0.652 18.207 19.000 -0.236 0.000 0.814 220 A HN 0.301 nan 8.150 nan 0.000 0.446 221 Y N -0.640 119.621 120.300 -0.066 0.000 2.395 221 Y HA 0.170 4.800 4.550 0.134 0.000 0.293 221 Y C 2.744 178.549 175.900 -0.159 0.000 1.123 221 Y CA 0.404 58.502 58.100 -0.003 0.000 1.227 221 Y CB -0.426 38.133 38.460 0.166 0.000 1.012 221 Y HN 0.314 nan 8.280 nan 0.000 0.552 222 A N -0.078 122.448 122.820 -0.489 0.000 1.897 222 A HA -0.089 4.312 4.320 0.134 0.000 0.215 222 A C 1.775 179.170 177.584 -0.316 0.000 1.181 222 A CA 1.259 52.816 52.037 -0.801 0.000 0.620 222 A CB -1.018 17.139 19.000 -1.406 0.000 0.821 222 A HN 0.335 nan 8.150 nan 0.000 0.443 223 F N 0.434 120.251 119.950 -0.220 0.000 2.134 223 F HA -0.050 4.556 4.527 0.132 0.000 0.299 223 F C 2.824 178.551 175.800 -0.123 0.000 1.097 223 F CA 0.358 58.261 58.000 -0.160 0.000 1.264 223 F CB -1.201 37.693 39.000 -0.177 0.000 1.001 223 F HN 0.259 nan 8.300 nan 0.000 0.479 224 A N -0.057 122.799 122.820 0.060 0.000 1.933 224 A HA -0.154 4.247 4.320 0.134 0.000 0.218 224 A C 2.194 179.794 177.584 0.027 0.000 1.175 224 A CA 1.574 53.627 52.037 0.027 0.000 0.628 224 A CB -1.076 17.933 19.000 0.015 0.000 0.814 224 A HN 0.341 nan 8.150 nan 0.000 0.444 225 L N -0.353 120.883 121.223 0.022 0.000 2.027 225 L HA 0.012 4.433 4.340 0.134 0.000 0.206 225 L C 2.684 179.546 176.870 -0.014 0.000 1.074 225 L CA 2.206 57.052 54.840 0.010 0.000 0.745 225 L CB -0.866 41.201 42.059 0.014 0.000 0.898 225 L HN 0.317 nan 8.230 nan 0.000 0.433 226 A N -0.468 122.347 122.820 -0.009 0.000 1.902 226 A HA -0.092 4.309 4.320 0.134 0.000 0.217 226 A C 2.333 179.918 177.584 0.002 0.000 1.181 226 A CA 1.605 53.639 52.037 -0.005 0.000 0.623 226 A CB -1.641 17.386 19.000 0.046 0.000 0.818 226 A HN 0.545 nan 8.150 nan 0.000 0.443 227 G N -0.087 108.719 108.800 0.010 0.000 2.422 227 G HA2 -0.205 3.836 3.960 0.134 0.000 0.218 227 G HA3 -0.205 3.836 3.960 0.134 0.000 0.218 227 G C 1.361 176.258 174.900 -0.006 0.000 1.146 227 G CA 0.988 46.087 45.100 -0.003 0.000 0.769 227 G HN 0.787 nan 8.290 nan 0.000 0.547 228 Q N -0.191 119.606 119.800 -0.006 0.000 2.242 228 Q HA 0.412 4.832 4.340 0.134 0.000 0.246 228 Q C 1.322 177.314 176.000 -0.013 0.000 0.883 228 Q CA -0.357 55.442 55.803 -0.006 0.000 0.984 228 Q CB 0.309 29.046 28.738 -0.001 0.000 1.096 228 Q HN 0.315 nan 8.270 nan 0.000 0.452 229 L N 1.323 122.534 121.223 -0.021 0.000 2.200 229 L HA 0.252 4.672 4.340 0.134 0.000 0.200 229 L C -1.328 175.532 176.870 -0.015 0.000 1.072 229 L CA 0.463 55.279 54.840 -0.039 0.000 0.787 229 L CB -0.491 41.516 42.059 -0.086 0.000 0.957 229 L HN 0.364 nan 8.230 nan 0.000 0.459 230 P HA 0.114 nan 4.420 nan 0.000 0.282 230 P C 0.768 178.097 177.300 0.048 0.000 1.249 230 P CA -0.365 62.745 63.100 0.017 0.000 0.806 230 P CB 1.376 33.089 31.700 0.021 0.000 0.984 231 L N 1.629 122.886 121.223 0.056 0.000 2.141 231 L HA 0.055 4.476 4.340 0.134 0.000 0.209 231 L C 1.426 178.416 176.870 0.200 0.000 1.094 231 L CA 2.504 57.424 54.840 0.133 0.000 0.763 231 L CB -1.281 40.845 42.059 0.112 0.000 0.908 231 L HN 0.953 nan 8.230 nan 0.000 0.437 232 G N -0.461 108.390 108.800 0.085 0.000 2.531 232 G HA2 -0.408 3.633 3.960 0.134 0.000 0.274 232 G HA3 -0.408 3.633 3.960 0.134 0.000 0.274 232 G C 0.745 175.615 174.900 -0.050 0.000 1.159 232 G CA 0.383 45.492 45.100 0.014 0.000 0.969 232 G HN 0.318 nan 8.290 nan 0.000 0.554 233 K N 1.272 121.553 120.400 -0.198 0.000 2.437 233 K HA 0.233 4.634 4.320 0.134 0.000 0.198 233 K C 0.399 176.884 176.600 -0.191 0.000 1.024 233 K CA 0.069 56.242 56.287 -0.190 0.000 1.148 233 K CB 0.124 32.507 32.500 -0.195 0.000 0.860 233 K HN 0.611 nan 8.250 nan 0.000 0.515 234 H N 0.508 119.633 119.070 0.092 0.000 2.482 234 H HA 0.168 4.804 4.556 0.134 0.000 0.344 234 H C -0.031 175.362 175.328 0.108 0.000 1.151 234 H CA -0.524 55.593 56.048 0.115 0.000 1.300 234 H CB 0.966 30.862 29.762 0.223 0.000 1.494 234 H HN -0.065 nan 8.280 nan 0.000 0.542 235 Q N 1.121 121.057 119.800 0.227 0.000 2.299 235 Q HA 0.221 4.642 4.340 0.134 0.000 0.246 235 Q C -0.997 175.121 176.000 0.198 0.000 0.935 235 Q CA -0.705 55.192 55.803 0.157 0.000 0.887 235 Q CB 1.471 30.271 28.738 0.103 0.000 1.223 235 Q HN 0.292 nan 8.270 nan 0.000 0.439 236 L N 1.721 123.044 121.223 0.166 0.000 2.305 236 L HA 0.560 4.980 4.340 0.134 0.000 0.284 236 L C -1.242 175.716 176.870 0.146 0.000 1.013 236 L CA -0.156 54.790 54.840 0.177 0.000 0.819 236 L CB 1.384 43.544 42.059 0.169 0.000 1.227 236 L HN 0.629 nan 8.230 nan 0.000 0.417 237 A N 6.905 129.808 122.820 0.138 0.000 2.260 237 A HA 0.693 5.094 4.320 0.134 0.000 0.308 237 A C -0.391 177.260 177.584 0.112 0.000 1.254 237 A CA -0.528 51.580 52.037 0.119 0.000 0.874 237 A CB -0.004 19.060 19.000 0.107 0.000 1.153 237 A HN 0.804 nan 8.150 nan 0.000 0.527 238 I N 0.193 120.828 120.570 0.109 0.000 2.530 238 I HA 0.498 4.749 4.170 0.134 0.000 0.297 238 I C -0.637 175.549 176.117 0.115 0.000 1.011 238 I CA -1.010 60.342 61.300 0.087 0.000 1.107 238 I CB 1.989 40.004 38.000 0.025 0.000 1.285 238 I HN 0.408 nan 8.210 nan 0.000 0.436 239 N N 6.316 125.098 118.700 0.137 0.000 2.455 239 N HA 0.615 5.436 4.740 0.134 0.000 0.280 239 N C -1.118 174.478 175.510 0.145 0.000 1.055 239 N CA -0.296 52.837 53.050 0.139 0.000 0.961 239 N CB 2.297 40.877 38.487 0.154 0.000 1.121 239 N HN 0.549 nan 8.380 nan 0.000 0.476 240 L N 2.003 123.295 121.223 0.116 0.000 2.445 240 L HA 0.435 4.856 4.340 0.134 0.000 0.262 240 L C -0.446 176.459 176.870 0.059 0.000 0.974 240 L CA -0.798 54.105 54.840 0.106 0.000 0.822 240 L CB 2.426 44.548 42.059 0.104 0.000 1.339 240 L HN 0.253 nan 8.230 nan 0.000 0.409 241 L N 3.839 125.091 121.223 0.048 0.000 2.410 241 L HA 0.147 4.567 4.340 0.134 0.000 0.273 241 L C -1.427 175.395 176.870 -0.081 0.000 1.152 241 L CA -1.413 53.437 54.840 0.017 0.000 0.855 241 L CB 0.494 42.624 42.059 0.119 0.000 1.129 241 L HN 0.390 nan 8.230 nan 0.000 0.463 242 P HA -0.196 nan 4.420 nan 0.000 0.216 242 P C 1.445 178.204 177.300 -0.901 0.000 1.154 242 P CA 1.513 64.388 63.100 -0.374 0.000 0.865 242 P CB 0.179 31.740 31.700 -0.232 0.000 0.789 243 G N -0.521 107.878 108.800 -0.668 0.000 2.448 243 G HA2 -0.232 3.809 3.960 0.134 0.000 0.219 243 G HA3 -0.232 3.809 3.960 0.134 0.000 0.219 243 G C 1.566 175.891 174.900 -0.958 0.000 1.127 243 G CA 1.108 45.597 45.100 -1.019 0.000 0.766 243 G HN 0.384 nan 8.290 nan 0.000 0.552 244 S N 0.523 115.972 115.700 -0.419 0.000 2.423 244 S HA 0.036 4.586 4.470 0.134 0.000 0.231 244 S C 2.190 176.725 174.600 -0.108 0.000 1.014 244 S CA 0.747 58.887 58.200 -0.100 0.000 0.965 244 S CB -0.247 63.016 63.200 0.105 0.000 0.785 244 S HN 0.282 nan 8.310 nan 0.000 0.495 245 L N -0.479 120.613 121.223 -0.219 0.000 2.240 245 L HA 0.050 4.471 4.340 0.134 0.000 0.211 245 L C 2.099 178.954 176.870 -0.026 0.000 1.106 245 L CA 0.873 55.641 54.840 -0.119 0.000 0.793 245 L CB -0.468 41.514 42.059 -0.128 0.000 0.927 245 L HN 0.273 nan 8.230 nan 0.000 0.446 246 Y N -2.180 118.095 120.300 -0.042 0.000 2.475 246 Y HA -0.099 4.528 4.550 0.127 0.000 0.289 246 Y C 2.519 178.404 175.900 -0.026 0.000 1.121 246 Y CA 0.165 58.240 58.100 -0.041 0.000 1.257 246 Y CB -1.215 37.200 38.460 -0.076 0.000 1.026 246 Y HN 0.234 nan 8.280 nan 0.000 0.555 247 H N -0.245 118.785 119.070 -0.066 0.000 2.289 247 H HA -0.153 4.483 4.556 0.133 0.000 0.296 247 H C -0.094 175.185 175.328 -0.082 0.000 1.091 247 H CA 1.760 57.726 56.048 -0.137 0.000 1.274 247 H CB -0.025 29.582 29.762 -0.259 0.000 1.364 247 H HN 0.359 nan 8.280 nan 0.000 0.490 248 H N -0.880 118.121 119.070 -0.114 0.000 2.525 248 H HA 0.099 4.735 4.556 0.133 0.000 0.340 248 H C -1.143 174.156 175.328 -0.049 0.000 1.168 248 H CA -1.836 54.111 56.048 -0.168 0.000 1.247 248 H CB 1.704 31.377 29.762 -0.148 0.000 1.568 248 H HN 0.246 nan 8.280 nan 0.000 0.536 249 P HA -0.150 nan 4.420 nan 0.000 0.215 249 P C 0.084 177.425 177.300 0.068 0.000 1.153 249 P CA 1.426 64.559 63.100 0.056 0.000 0.853 249 P CB 0.260 31.971 31.700 0.020 0.000 0.788 250 D N -1.505 118.941 120.400 0.077 0.000 3.010 250 D HA 0.351 5.072 4.640 0.134 0.000 0.347 250 D C 1.056 177.455 176.300 0.164 0.000 1.340 250 D CA -0.723 53.333 54.000 0.094 0.000 0.858 250 D CB -0.123 40.720 40.800 0.071 0.000 1.111 250 D HN 0.003 nan 8.370 nan 0.000 0.482 251 A N 0.089 123.018 122.820 0.181 0.000 1.883 251 A HA -0.131 4.270 4.320 0.134 0.000 0.217 251 A C 2.102 179.846 177.584 0.266 0.000 1.186 251 A CA 1.531 53.710 52.037 0.238 0.000 0.624 251 A CB -0.623 18.483 19.000 0.177 0.000 0.822 251 A HN 0.260 nan 8.150 nan 0.000 0.444 252 V N -0.083 119.932 119.914 0.168 0.000 2.295 252 V HA -0.187 4.014 4.120 0.134 0.000 0.246 252 V C 2.842 179.004 176.094 0.114 0.000 1.049 252 V CA 2.006 64.381 62.300 0.125 0.000 1.024 252 V CB -1.500 30.360 31.823 0.061 0.000 0.648 252 V HN 0.627 nan 8.190 nan 0.000 0.447 253 G N -1.532 107.332 108.800 0.107 0.000 2.440 253 G HA2 -0.341 3.699 3.960 0.134 0.000 0.218 253 G HA3 -0.341 3.699 3.960 0.134 0.000 0.218 253 G C 1.370 176.332 174.900 0.103 0.000 1.154 253 G CA 0.886 46.032 45.100 0.077 0.000 0.767 253 G HN 0.629 nan 8.290 nan 0.000 0.552 254 W N 1.090 122.401 121.300 0.019 0.000 2.355 254 W HA 0.013 4.752 4.660 0.131 0.000 0.309 254 W C 2.393 178.946 176.519 0.056 0.000 1.206 254 W CA 1.242 58.605 57.345 0.031 0.000 1.284 254 W CB -0.306 29.185 29.460 0.053 0.000 1.145 254 W HN 0.133 nan 8.180 nan 0.000 0.502 255 L N -0.207 121.155 121.223 0.232 0.000 2.012 255 L HA -0.338 4.083 4.340 0.134 0.000 0.210 255 L C 2.689 179.456 176.870 -0.171 0.000 1.073 255 L CA 1.349 56.253 54.840 0.107 0.000 0.748 255 L CB -0.943 41.274 42.059 0.263 0.000 0.891 255 L HN 0.037 nan 8.230 nan 0.000 0.431 256 M N -0.353 119.170 119.600 -0.129 0.000 2.110 256 M HA -0.281 4.279 4.480 0.134 0.000 0.257 256 M C 2.005 178.147 176.300 -0.262 0.000 1.071 256 M CA 1.952 57.140 55.300 -0.186 0.000 1.096 256 M CB -1.183 31.353 32.600 -0.107 0.000 1.300 256 M HN 0.232 nan 8.290 nan 0.000 0.411 257 D N -0.481 119.759 120.400 -0.267 0.000 2.123 257 D HA -0.130 4.591 4.640 0.134 0.000 0.196 257 D C 2.155 178.225 176.300 -0.382 0.000 0.992 257 D CA 1.545 55.368 54.000 -0.295 0.000 0.833 257 D CB -0.316 40.310 40.800 -0.289 0.000 0.954 257 D HN 0.278 nan 8.370 nan 0.000 0.455 258 S N -0.340 115.026 115.700 -0.558 0.000 2.368 258 S HA -0.103 4.448 4.470 0.134 0.000 0.224 258 S C 1.975 176.356 174.600 -0.364 0.000 1.029 258 S CA 0.968 58.870 58.200 -0.496 0.000 0.988 258 S CB -0.139 62.646 63.200 -0.691 0.000 0.838 258 S HN 0.277 nan 8.310 nan 0.000 0.462 259 L N 0.413 121.247 121.223 -0.649 0.000 2.109 259 L HA 0.189 4.609 4.340 0.134 0.000 0.207 259 L C 2.084 178.700 176.870 -0.425 0.000 1.086 259 L CA 1.504 55.829 54.840 -0.859 0.000 0.760 259 L CB -0.989 40.313 42.059 -1.261 0.000 0.910 259 L HN 0.220 nan 8.230 nan 0.000 0.437 260 L N 0.468 121.492 121.223 -0.332 0.000 2.093 260 L HA -0.089 4.332 4.340 0.134 0.000 0.208 260 L C 2.917 179.683 176.870 -0.172 0.000 1.085 260 L CA 1.118 55.828 54.840 -0.216 0.000 0.755 260 L CB -0.873 41.078 42.059 -0.180 0.000 0.904 260 L HN 0.457 nan 8.230 nan 0.000 0.435 261 A N -0.097 122.613 122.820 -0.183 0.000 2.015 261 A HA -0.024 4.377 4.320 0.134 0.000 0.219 261 A C 2.264 179.782 177.584 -0.110 0.000 1.163 261 A CA 1.399 53.354 52.037 -0.136 0.000 0.646 261 A CB -0.466 18.447 19.000 -0.145 0.000 0.806 261 A HN 0.374 nan 8.150 nan 0.000 0.448 262 A N -1.597 121.150 122.820 -0.123 0.000 2.278 262 A HA 0.430 4.831 4.320 0.134 0.000 0.212 262 A C 1.643 179.181 177.584 -0.078 0.000 1.213 262 A CA 1.023 53.013 52.037 -0.078 0.000 0.840 262 A CB -0.987 17.991 19.000 -0.036 0.000 0.866 262 A HN 1.813 nan 8.150 nan 0.000 0.489 263 G N -1.058 107.683 108.800 -0.097 0.000 2.143 263 G HA2 -0.219 3.822 3.960 0.134 0.000 0.248 263 G HA3 -0.219 3.822 3.960 0.134 0.000 0.248 263 G C 0.062 174.910 174.900 -0.087 0.000 0.991 263 G CA 0.509 45.561 45.100 -0.080 0.000 0.689 263 G HN 0.459 nan 8.290 nan 0.000 0.522 264 L N -0.638 120.508 121.223 -0.129 0.000 2.400 264 L HA 0.778 5.198 4.340 0.134 0.000 0.264 264 L C 0.814 177.599 176.870 -0.142 0.000 1.061 264 L CA -1.312 53.450 54.840 -0.131 0.000 0.799 264 L CB 0.735 42.685 42.059 -0.181 0.000 1.240 264 L HN -0.054 nan 8.230 nan 0.000 0.461 265 R N 0.570 121.002 120.500 -0.114 0.000 2.604 265 R HA 0.321 4.742 4.340 0.134 0.000 0.287 265 R C -1.892 174.339 176.300 -0.115 0.000 0.970 265 R CA -2.256 53.782 56.100 -0.104 0.000 0.946 265 R CB 1.220 31.480 30.300 -0.067 0.000 1.127 265 R HN 0.224 nan 8.270 nan 0.000 0.473 266 P HA -0.197 nan 4.420 nan 0.000 0.215 266 P C 0.370 177.633 177.300 -0.062 0.000 1.157 266 P CA 1.592 64.630 63.100 -0.102 0.000 0.874 266 P CB 0.097 31.748 31.700 -0.082 0.000 0.790 267 D N -1.224 119.149 120.400 -0.044 0.000 2.384 267 D HA -0.190 4.531 4.640 0.134 0.000 0.222 267 D C 1.895 178.190 176.300 -0.009 0.000 0.976 267 D CA 0.592 54.580 54.000 -0.021 0.000 0.915 267 D CB -0.777 40.012 40.800 -0.019 0.000 0.896 267 D HN 0.235 nan 8.370 nan 0.000 0.523 268 Q N -0.055 119.735 119.800 -0.018 0.000 2.398 268 Q HA 0.086 4.507 4.340 0.134 0.000 0.204 268 Q C -0.263 175.753 176.000 0.027 0.000 0.932 268 Q CA 0.231 56.037 55.803 0.006 0.000 0.916 268 Q CB 0.564 29.296 28.738 -0.010 0.000 1.024 268 Q HN 0.188 nan 8.270 nan 0.000 0.504 269 V N 1.587 121.504 119.914 0.005 0.000 2.472 269 V HA 0.368 4.568 4.120 0.134 0.000 0.290 269 V C -0.570 175.562 176.094 0.063 0.000 1.037 269 V CA -0.624 61.703 62.300 0.044 0.000 0.908 269 V CB 1.538 33.357 31.823 -0.006 0.000 0.985 269 V HN 0.212 nan 8.190 nan 0.000 0.454 270 L N 5.661 126.941 121.223 0.096 0.000 2.385 270 L HA 0.648 5.069 4.340 0.134 0.000 0.273 270 L C -1.018 175.920 176.870 0.113 0.000 0.990 270 L CA -0.424 54.471 54.840 0.092 0.000 0.821 270 L CB 1.557 43.666 42.059 0.082 0.000 1.279 270 L HN 0.427 nan 8.230 nan 0.000 0.412 271 I N 4.013 124.650 120.570 0.112 0.000 2.304 271 I HA 0.305 4.556 4.170 0.134 0.000 0.291 271 I C -0.029 176.163 176.117 0.126 0.000 1.018 271 I CA -0.221 61.154 61.300 0.124 0.000 1.260 271 I CB 1.145 39.219 38.000 0.122 0.000 1.390 271 I HN 0.686 nan 8.210 nan 0.000 0.475 272 E N 5.940 126.212 120.200 0.119 0.000 2.167 272 E HA 0.417 4.847 4.350 0.134 0.000 0.284 272 E C -0.540 176.124 176.600 0.106 0.000 1.016 272 E CA -0.468 55.999 56.400 0.112 0.000 0.817 272 E CB 2.042 31.803 29.700 0.101 0.000 1.080 272 E HN 0.480 nan 8.360 nan 0.000 0.397 273 V N 0.177 120.154 119.914 0.106 0.000 2.604 273 V HA 0.509 4.710 4.120 0.134 0.000 0.305 273 V C 0.202 176.320 176.094 0.041 0.000 1.043 273 V CA -1.047 61.290 62.300 0.061 0.000 0.888 273 V CB 1.470 33.320 31.823 0.045 0.000 0.995 273 V HN 0.680 nan 8.190 nan 0.000 0.429 274 T N -0.371 114.187 114.554 0.006 0.000 2.897 274 T HA 0.276 4.707 4.350 0.134 0.000 0.294 274 T C 0.870 175.551 174.700 -0.032 0.000 1.004 274 T CA 0.302 62.402 62.100 -0.000 0.000 1.106 274 T CB 1.558 70.416 68.868 -0.017 0.000 0.949 274 T HN 0.975 nan 8.240 nan 0.000 0.520 275 E N 1.921 122.115 120.200 -0.010 0.000 2.097 275 E HA -0.256 4.175 4.350 0.134 0.000 0.196 275 E C 1.944 178.488 176.600 -0.093 0.000 1.000 275 E CA 2.141 58.522 56.400 -0.032 0.000 0.804 275 E CB -0.626 29.056 29.700 -0.029 0.000 0.740 275 E HN 0.950 nan 8.360 nan 0.000 0.454 276 T N -0.131 114.368 114.554 -0.092 0.000 2.699 276 T HA -0.184 4.246 4.350 0.134 0.000 0.268 276 T C 1.650 176.290 174.700 -0.099 0.000 1.036 276 T CA 1.444 63.490 62.100 -0.089 0.000 1.147 276 T CB -0.313 68.510 68.868 -0.075 0.000 0.862 276 T HN 0.131 nan 8.240 nan 0.000 0.446 277 E N 0.766 120.904 120.200 -0.103 0.000 2.208 277 E HA 0.038 4.469 4.350 0.134 0.000 0.193 277 E C 2.543 179.029 176.600 -0.190 0.000 0.988 277 E CA 0.505 56.838 56.400 -0.111 0.000 0.828 277 E CB -0.408 29.241 29.700 -0.084 0.000 0.763 277 E HN 0.473 nan 8.360 nan 0.000 0.478 278 V N 2.407 122.156 119.914 -0.276 0.000 2.323 278 V HA -0.203 3.998 4.120 0.134 0.000 0.244 278 V C 2.528 178.303 176.094 -0.531 0.000 1.041 278 V CA 1.706 63.722 62.300 -0.473 0.000 1.025 278 V CB -0.682 30.855 31.823 -0.477 0.000 0.656 278 V HN 0.325 nan 8.190 nan 0.000 0.451 279 I N 0.315 120.617 120.570 -0.448 0.000 3.001 279 I HA -0.116 4.134 4.170 0.134 0.000 0.268 279 I C 2.318 178.206 176.117 -0.381 0.000 1.267 279 I CA 1.636 62.583 61.300 -0.588 0.000 1.472 279 I CB -0.939 36.943 38.000 -0.198 0.000 1.089 279 I HN 0.448 nan 8.210 nan 0.000 0.468 280 T N -0.381 114.041 114.554 -0.220 0.000 2.951 280 T HA -0.040 4.391 4.350 0.134 0.000 0.268 280 T C 0.933 175.593 174.700 -0.067 0.000 1.073 280 T CA 0.552 62.600 62.100 -0.087 0.000 1.134 280 T CB -1.065 67.780 68.868 -0.039 0.000 0.884 280 T HN 0.655 nan 8.240 nan 0.000 0.479 281 C N 0.152 119.360 119.300 -0.154 0.000 2.949 281 C HA 0.717 5.258 4.460 0.134 0.000 0.306 281 C C 0.757 175.701 174.990 -0.077 0.000 1.045 281 C CA -1.729 57.266 59.018 -0.039 0.000 1.414 281 C CB -1.308 26.460 27.740 0.048 0.000 1.854 281 C HN 0.204 nan 8.230 nan 0.000 0.487 282 F N 1.790 121.798 119.950 0.096 0.000 2.187 282 F HA 0.023 4.620 4.527 0.117 0.000 0.295 282 F C 1.858 177.745 175.800 0.144 0.000 1.091 282 F CA 1.173 59.260 58.000 0.145 0.000 1.308 282 F CB -0.156 38.921 39.000 0.128 0.000 1.030 282 F HN 0.607 nan 8.300 nan 0.000 0.487 283 D N 0.573 121.128 120.400 0.259 0.000 2.390 283 D HA -0.079 4.642 4.640 0.134 0.000 0.236 283 D C 0.757 177.066 176.300 0.015 0.000 1.189 283 D CA 0.329 54.395 54.000 0.110 0.000 0.887 283 D CB 0.637 41.471 40.800 0.056 0.000 1.198 283 D HN 0.272 nan 8.370 nan 0.000 0.444 284 Q N -0.542 119.195 119.800 -0.105 0.000 3.582 284 Q HA -0.319 4.102 4.340 0.134 0.000 0.212 284 Q C 1.437 177.357 176.000 -0.134 0.000 2.682 284 Q CA 1.937 57.511 55.803 -0.382 0.000 0.372 284 Q CB -2.062 26.072 28.738 -1.007 0.000 0.312 284 Q HN 0.670 nan 8.270 nan 0.000 0.562 285 F N 1.906 121.855 119.950 -0.002 0.000 2.234 285 F HA -0.070 4.533 4.527 0.127 0.000 0.299 285 F C 2.591 178.408 175.800 0.028 0.000 1.087 285 F CA 1.849 59.939 58.000 0.149 0.000 1.340 285 F CB 0.022 39.080 39.000 0.097 0.000 1.031 285 F HN 0.083 nan 8.300 nan 0.000 0.500 286 R N 0.101 120.614 120.500 0.021 0.000 2.091 286 R HA -0.210 4.211 4.340 0.134 0.000 0.238 286 R C 2.087 178.306 176.300 -0.134 0.000 1.136 286 R CA 1.786 57.844 56.100 -0.070 0.000 0.959 286 R CB -0.356 29.969 30.300 0.041 0.000 0.856 286 R HN 0.109 nan 8.270 nan 0.000 0.437 287 K N 0.159 120.506 120.400 -0.088 0.000 2.155 287 K HA -0.028 4.373 4.320 0.134 0.000 0.203 287 K C 1.820 178.367 176.600 -0.089 0.000 1.052 287 K CA 0.648 56.892 56.287 -0.072 0.000 0.948 287 K CB 0.086 32.559 32.500 -0.045 0.000 0.728 287 K HN -0.062 nan 8.250 nan 0.000 0.448 288 V N 0.853 120.705 119.914 -0.104 0.000 2.261 288 V HA -0.226 3.975 4.120 0.134 0.000 0.246 288 V C 2.113 178.045 176.094 -0.270 0.000 1.047 288 V CA 1.651 63.875 62.300 -0.126 0.000 1.015 288 V CB -0.486 31.297 31.823 -0.067 0.000 0.642 288 V HN 0.308 nan 8.190 nan 0.000 0.446 289 L N 0.530 121.437 121.223 -0.527 0.000 2.042 289 L HA -0.208 4.213 4.340 0.134 0.000 0.210 289 L C 2.421 179.135 176.870 -0.260 0.000 1.076 289 L CA 2.316 56.833 54.840 -0.538 0.000 0.749 289 L CB -0.921 40.654 42.059 -0.806 0.000 0.893 289 L HN 0.323 nan 8.230 nan 0.000 0.432 290 K N -0.754 119.531 120.400 -0.191 0.000 2.009 290 K HA -0.212 4.188 4.320 0.134 0.000 0.210 290 K C 1.998 178.551 176.600 -0.079 0.000 1.049 290 K CA 1.668 57.894 56.287 -0.102 0.000 0.929 290 K CB -0.326 32.130 32.500 -0.072 0.000 0.714 290 K HN 0.442 nan 8.250 nan 0.000 0.440 291 A N 1.211 123.984 122.820 -0.078 0.000 1.902 291 A HA -0.129 4.272 4.320 0.134 0.000 0.217 291 A C 2.152 179.708 177.584 -0.047 0.000 1.181 291 A CA 1.407 53.415 52.037 -0.048 0.000 0.623 291 A CB -0.622 18.361 19.000 -0.028 0.000 0.818 291 A HN 0.346 nan 8.150 nan 0.000 0.443 292 L N -1.124 120.057 121.223 -0.071 0.000 2.046 292 L HA -0.193 4.228 4.340 0.134 0.000 0.208 292 L C 2.932 179.775 176.870 -0.045 0.000 1.077 292 L CA 1.215 56.022 54.840 -0.055 0.000 0.747 292 L CB -0.512 41.502 42.059 -0.075 0.000 0.896 292 L HN 0.313 nan 8.230 nan 0.000 0.432 293 R N -0.240 120.227 120.500 -0.055 0.000 2.073 293 R HA -0.102 4.319 4.340 0.134 0.000 0.234 293 R C 2.239 178.523 176.300 -0.027 0.000 1.134 293 R CA 1.172 57.252 56.100 -0.034 0.000 0.952 293 R CB -0.866 29.414 30.300 -0.033 0.000 0.850 293 R HN 0.238 nan 8.270 nan 0.000 0.433 294 V N 1.339 121.235 119.914 -0.030 0.000 2.392 294 V HA -0.229 3.972 4.120 0.134 0.000 0.249 294 V C 2.498 178.577 176.094 -0.026 0.000 1.059 294 V CA 1.922 64.207 62.300 -0.025 0.000 1.051 294 V CB -0.776 31.033 31.823 -0.024 0.000 0.658 294 V HN 0.348 nan 8.190 nan 0.000 0.455 295 A N -0.934 121.869 122.820 -0.029 0.000 2.014 295 A HA 0.257 4.657 4.320 0.134 0.000 0.218 295 A C 2.127 179.690 177.584 -0.036 0.000 1.163 295 A CA 1.619 53.636 52.037 -0.033 0.000 0.652 295 A CB -0.446 18.534 19.000 -0.032 0.000 0.808 295 A HN 1.242 nan 8.150 nan 0.000 0.449 296 G N -2.527 106.255 108.800 -0.029 0.000 2.179 296 G HA2 -0.209 3.832 3.960 0.134 0.000 0.220 296 G HA3 -0.209 3.832 3.960 0.134 0.000 0.220 296 G C 0.229 175.116 174.900 -0.022 0.000 0.990 296 G CA 0.175 45.259 45.100 -0.026 0.000 0.646 296 G HN 0.365 nan 8.290 nan 0.000 0.517 297 M N 0.697 120.285 119.600 -0.021 0.000 2.240 297 M HA 0.399 4.960 4.480 0.134 0.000 0.333 297 M C 0.845 177.151 176.300 0.010 0.000 1.110 297 M CA 0.468 55.763 55.300 -0.007 0.000 1.173 297 M CB 0.645 33.245 32.600 0.000 0.000 1.458 297 M HN 0.083 nan 8.290 nan 0.000 0.458 298 K N 1.334 121.751 120.400 0.027 0.000 2.139 298 K HA 0.727 5.127 4.320 0.134 0.000 0.243 298 K C -1.364 175.275 176.600 0.065 0.000 0.983 298 K CA -0.877 55.435 56.287 0.042 0.000 0.890 298 K CB 1.599 34.124 32.500 0.042 0.000 1.090 298 K HN 0.414 nan 8.250 nan 0.000 0.445 299 L N 0.490 121.765 121.223 0.086 0.000 2.408 299 L HA 0.612 5.033 4.340 0.134 0.000 0.268 299 L C -1.663 175.293 176.870 0.144 0.000 0.986 299 L CA -0.219 54.697 54.840 0.126 0.000 0.820 299 L CB 1.967 44.114 42.059 0.148 0.000 1.303 299 L HN 0.778 nan 8.230 nan 0.000 0.411 300 A N 5.065 127.971 122.820 0.144 0.000 2.365 300 A HA 0.778 5.178 4.320 0.134 0.000 0.318 300 A C -1.085 176.592 177.584 0.154 0.000 1.091 300 A CA -0.611 51.500 52.037 0.124 0.000 0.763 300 A CB 1.014 20.066 19.000 0.087 0.000 1.248 300 A HN 0.524 nan 8.150 nan 0.000 0.442 301 I N 2.422 123.076 120.570 0.141 0.000 2.325 301 I HA 0.225 4.476 4.170 0.134 0.000 0.291 301 I C -0.090 176.105 176.117 0.130 0.000 1.019 301 I CA -0.109 61.285 61.300 0.157 0.000 1.302 301 I CB 0.733 38.849 38.000 0.192 0.000 1.401 301 I HN 0.610 nan 8.210 nan 0.000 0.485 302 D N 5.240 125.710 120.400 0.115 0.000 2.229 302 D HA 0.171 4.892 4.640 0.134 0.000 0.249 302 D C -0.090 176.266 176.300 0.093 0.000 1.027 302 D CA 0.097 54.153 54.000 0.093 0.000 0.923 302 D CB 1.089 41.933 40.800 0.072 0.000 1.174 302 D HN 0.443 nan 8.370 nan 0.000 0.443 303 D N 1.250 121.696 120.400 0.077 0.000 2.708 303 D HA -0.284 4.436 4.640 0.134 0.000 0.236 303 D C -0.269 176.058 176.300 0.045 0.000 1.146 303 D CA 0.426 54.450 54.000 0.040 0.000 0.662 303 D CB -1.871 38.924 40.800 -0.008 0.000 1.059 303 D HN 0.278 nan 8.370 nan 0.000 0.428 304 F N 0.643 120.572 119.950 -0.035 0.000 2.541 304 F HA 0.372 4.979 4.527 0.133 0.000 0.378 304 F C 1.641 177.409 175.800 -0.053 0.000 1.068 304 F CA 1.516 59.492 58.000 -0.041 0.000 1.199 304 F CB 0.578 39.563 39.000 -0.024 0.000 1.091 304 F HN 0.215 nan 8.300 nan 0.000 0.555 305 G N 3.398 111.822 108.800 -0.627 0.000 2.184 305 G HA2 -0.202 3.839 3.960 0.134 0.000 0.206 305 G HA3 -0.202 3.839 3.960 0.134 0.000 0.206 305 G C 0.625 175.298 174.900 -0.379 0.000 0.995 305 G CA 0.082 44.920 45.100 -0.436 0.000 0.651 305 G HN 1.286 nan 8.290 nan 0.000 0.511 306 A N 0.052 122.648 122.820 -0.372 0.000 2.197 306 A HA 0.645 5.046 4.320 0.134 0.000 0.210 306 A C 2.091 179.321 177.584 -0.590 0.000 1.180 306 A CA 1.724 53.510 52.037 -0.418 0.000 0.846 306 A CB 0.057 18.920 19.000 -0.230 0.000 0.884 306 A HN 1.466 nan 8.150 nan 0.000 0.487 307 G N -2.471 106.039 108.800 -0.483 0.000 3.434 307 G HA2 0.355 4.396 3.960 0.134 0.000 0.258 307 G HA3 0.355 4.396 3.960 0.134 0.000 0.258 307 G C 0.254 174.990 174.900 -0.272 0.000 1.128 307 G CA 0.093 44.979 45.100 -0.356 0.000 0.792 307 G HN 0.354 nan 8.290 nan 0.000 0.539 308 Y N -0.146 120.080 120.300 -0.124 0.000 4.798 308 Y HA -0.291 4.340 4.550 0.134 0.000 0.237 308 Y C 1.414 177.228 175.900 -0.143 0.000 1.017 308 Y CA 1.115 59.145 58.100 -0.116 0.000 2.010 308 Y CB -2.324 36.096 38.460 -0.067 0.000 1.582 308 Y HN 1.245 nan 8.280 nan 0.000 0.621 309 S N -2.421 113.171 115.700 -0.181 0.000 3.833 309 S HA -0.092 4.458 4.470 0.134 0.000 0.638 309 S C 1.039 175.517 174.600 -0.204 0.000 1.967 309 S CA 0.521 58.492 58.200 -0.382 0.000 2.145 309 S CB -1.177 61.666 63.200 -0.594 0.000 0.329 309 S HN 1.414 nan 8.310 nan 0.000 1.786 310 G N 0.087 108.749 108.800 -0.230 0.000 2.608 310 G HA2 0.395 4.436 3.960 0.134 0.000 0.210 310 G HA3 0.395 4.436 3.960 0.134 0.000 0.210 310 G C 1.411 176.411 174.900 0.167 0.000 1.139 310 G CA 0.469 45.645 45.100 0.126 0.000 0.812 310 G HN 0.980 nan 8.290 nan 0.000 0.529 311 L N 1.993 123.300 121.223 0.139 0.000 2.151 311 L HA -0.286 4.135 4.340 0.134 0.000 0.219 311 L C 3.076 179.984 176.870 0.064 0.000 1.083 311 L CA 1.836 56.732 54.840 0.093 0.000 0.782 311 L CB -0.686 41.415 42.059 0.070 0.000 0.891 311 L HN 0.210 nan 8.230 nan 0.000 0.439 312 S N -0.415 115.327 115.700 0.070 0.000 2.370 312 S HA -0.189 4.362 4.470 0.134 0.000 0.226 312 S C 1.874 176.521 174.600 0.079 0.000 1.033 312 S CA 1.428 59.670 58.200 0.070 0.000 1.011 312 S CB -0.489 62.783 63.200 0.120 0.000 0.852 312 S HN 0.253 nan 8.310 nan 0.000 0.457 313 L N 1.415 122.698 121.223 0.100 0.000 2.095 313 L HA 0.223 4.643 4.340 0.134 0.000 0.204 313 L C 2.053 178.854 176.870 -0.117 0.000 1.080 313 L CA 1.286 56.161 54.840 0.058 0.000 0.759 313 L CB -0.661 41.405 42.059 0.011 0.000 0.914 313 L HN 0.265 nan 8.230 nan 0.000 0.439 314 L N -0.864 120.306 121.223 -0.087 0.000 2.191 314 L HA -0.183 4.237 4.340 0.134 0.000 0.212 314 L C 2.327 179.160 176.870 -0.062 0.000 1.103 314 L CA 1.538 56.305 54.840 -0.122 0.000 0.769 314 L CB -1.046 40.977 42.059 -0.061 0.000 0.908 314 L HN 0.459 nan 8.230 nan 0.000 0.438 315 T N -3.376 111.166 114.554 -0.020 0.000 3.007 315 T HA -0.081 4.350 4.350 0.134 0.000 0.270 315 T C 1.773 176.493 174.700 0.035 0.000 1.107 315 T CA 0.588 62.691 62.100 0.004 0.000 1.118 315 T CB -0.004 68.864 68.868 0.000 0.000 0.889 315 T HN 0.271 nan 8.240 nan 0.000 0.506 316 R N -0.106 120.427 120.500 0.056 0.000 2.487 316 R HA 0.359 4.780 4.340 0.134 0.000 0.272 316 R C -0.247 176.316 176.300 0.439 0.000 0.928 316 R CA 0.048 56.252 56.100 0.174 0.000 1.077 316 R CB 0.664 31.063 30.300 0.165 0.000 1.265 316 R HN 0.595 nan 8.270 nan 0.000 0.537 317 F N -0.711 119.355 119.950 0.194 0.000 2.950 317 F HA 0.607 5.158 4.527 0.041 0.000 0.327 317 F C -1.594 174.280 175.800 0.123 0.000 1.197 317 F CA -1.656 56.433 58.000 0.148 0.000 0.954 317 F CB 0.631 39.742 39.000 0.186 0.000 1.442 317 F HN -0.383 nan 8.300 nan 0.000 0.509 318 Q N 2.408 122.318 119.800 0.183 0.000 2.333 318 Q HA 0.531 4.952 4.340 0.134 0.000 0.268 318 Q C -2.645 173.510 176.000 0.258 0.000 1.007 318 Q CA -1.896 53.942 55.803 0.059 0.000 0.810 318 Q CB 1.646 30.411 28.738 0.046 0.000 1.264 318 Q HN 0.394 nan 8.270 nan 0.000 0.452 319 P HA 0.098 nan 4.420 nan 0.000 0.275 319 P C -0.447 176.928 177.300 0.125 0.000 1.266 319 P CA -0.265 62.999 63.100 0.275 0.000 0.793 319 P CB 1.162 33.005 31.700 0.239 0.000 1.074 320 D N -0.861 119.604 120.400 0.109 0.000 2.234 320 D HA -0.029 4.692 4.640 0.134 0.000 0.205 320 D C 0.751 177.065 176.300 0.023 0.000 0.962 320 D CA 1.487 55.521 54.000 0.056 0.000 0.855 320 D CB 0.588 41.421 40.800 0.055 0.000 0.951 320 D HN 0.371 nan 8.370 nan 0.000 0.500 321 K N 0.708 121.123 120.400 0.025 0.000 2.523 321 K HA 0.411 4.812 4.320 0.134 0.000 0.257 321 K C -1.441 175.135 176.600 -0.041 0.000 0.932 321 K CA -0.680 55.600 56.287 -0.013 0.000 0.812 321 K CB 2.065 34.569 32.500 0.007 0.000 1.326 321 K HN -0.080 nan 8.250 nan 0.000 0.433 322 I N -0.075 120.427 120.570 -0.113 0.000 2.474 322 I HA 0.515 4.766 4.170 0.134 0.000 0.294 322 I C -1.158 174.904 176.117 -0.092 0.000 1.005 322 I CA -0.804 60.394 61.300 -0.170 0.000 1.113 322 I CB 1.946 39.648 38.000 -0.497 0.000 1.289 322 I HN 0.379 nan 8.210 nan 0.000 0.436 323 K N 5.658 126.056 120.400 -0.005 0.000 2.367 323 K HA 0.489 4.889 4.320 0.134 0.000 0.263 323 K C -0.935 175.721 176.600 0.093 0.000 1.000 323 K CA -0.826 55.479 56.287 0.030 0.000 0.891 323 K CB 2.291 34.819 32.500 0.046 0.000 1.117 323 K HN 0.481 nan 8.250 nan 0.000 0.443 324 V N 2.928 122.890 119.914 0.079 0.000 2.521 324 V HA -0.065 4.136 4.120 0.134 0.000 0.286 324 V C 0.450 176.603 176.094 0.098 0.000 1.034 324 V CA -0.124 62.256 62.300 0.135 0.000 1.045 324 V CB 0.550 32.435 31.823 0.103 0.000 0.974 324 V HN 0.716 nan 8.190 nan 0.000 0.480 325 D N 4.045 124.498 120.400 0.089 0.000 2.423 325 D HA 0.244 4.964 4.640 0.134 0.000 0.238 325 D C 1.127 177.443 176.300 0.026 0.000 1.142 325 D CA 0.579 54.598 54.000 0.033 0.000 0.884 325 D CB 1.410 42.198 40.800 -0.020 0.000 1.199 325 D HN 0.624 nan 8.370 nan 0.000 0.438 326 A N 3.068 125.895 122.820 0.011 0.000 2.024 326 A HA -0.196 4.205 4.320 0.134 0.000 0.220 326 A C 1.890 179.480 177.584 0.009 0.000 1.164 326 A CA 1.563 53.605 52.037 0.009 0.000 0.643 326 A CB -0.597 18.392 19.000 -0.018 0.000 0.806 326 A HN 0.687 nan 8.150 nan 0.000 0.451 327 E N 0.264 120.461 120.200 -0.005 0.000 2.153 327 E HA -0.108 4.322 4.350 0.134 0.000 0.194 327 E C 1.701 178.305 176.600 0.006 0.000 0.988 327 E CA 1.135 57.531 56.400 -0.006 0.000 0.811 327 E CB -0.410 29.275 29.700 -0.025 0.000 0.746 327 E HN 0.628 nan 8.360 nan 0.000 0.466 328 L N -0.814 120.418 121.223 0.014 0.000 2.240 328 L HA -0.065 4.356 4.340 0.134 0.000 0.211 328 L C 2.250 179.150 176.870 0.050 0.000 1.106 328 L CA 0.379 55.236 54.840 0.029 0.000 0.793 328 L CB -0.070 42.014 42.059 0.042 0.000 0.927 328 L HN 0.046 nan 8.230 nan 0.000 0.446 329 V N -0.799 119.154 119.914 0.065 0.000 2.453 329 V HA -0.132 4.069 4.120 0.134 0.000 0.247 329 V C 1.548 177.694 176.094 0.087 0.000 1.048 329 V CA 0.646 63.004 62.300 0.097 0.000 1.049 329 V CB -0.510 31.380 31.823 0.111 0.000 0.672 329 V HN 0.343 nan 8.190 nan 0.000 0.457 330 R N 1.036 121.571 120.500 0.058 0.000 2.484 330 R HA -0.051 4.369 4.340 0.134 0.000 0.293 330 R C 0.194 176.525 176.300 0.052 0.000 1.023 330 R CA 0.436 56.570 56.100 0.055 0.000 1.037 330 R CB -0.200 30.118 30.300 0.030 0.000 0.951 330 R HN 0.429 nan 8.270 nan 0.000 0.418 331 D N 2.915 123.377 120.400 0.104 0.000 2.911 331 D HA -0.266 4.454 4.640 0.134 0.000 0.227 331 D C 0.778 177.024 176.300 -0.090 0.000 1.164 331 D CA 1.141 55.159 54.000 0.031 0.000 0.782 331 D CB -1.079 39.681 40.800 -0.067 0.000 1.094 331 D HN 0.712 nan 8.370 nan 0.000 0.425 332 I N 0.547 121.133 120.570 0.026 0.000 2.361 332 I HA -0.294 3.957 4.170 0.134 0.000 0.251 332 I C 2.447 178.402 176.117 -0.270 0.000 1.133 332 I CA 1.424 62.692 61.300 -0.054 0.000 1.413 332 I CB 0.029 38.072 38.000 0.071 0.000 1.073 332 I HN 0.301 nan 8.210 nan 0.000 0.424 333 H N 1.480 120.285 119.070 -0.443 0.000 2.489 333 H HA -0.132 4.504 4.556 0.134 0.000 0.293 333 H C 1.700 176.477 175.328 -0.918 0.000 1.066 333 H CA 1.791 57.198 56.048 -1.069 0.000 1.305 333 H CB -0.761 28.655 29.762 -0.576 0.000 1.386 333 H HN 0.617 nan 8.280 nan 0.000 0.551 334 I N -1.862 118.141 120.570 -0.944 0.000 4.154 334 I HA 0.319 4.570 4.170 0.134 0.000 0.334 334 I C 0.332 176.218 176.117 -0.385 0.000 1.371 334 I CA -0.402 60.518 61.300 -0.633 0.000 1.110 334 I CB 0.691 38.335 38.000 -0.593 0.000 1.085 334 I HN 0.034 nan 8.210 nan 0.000 0.398 335 S N 1.483 116.967 115.700 -0.360 0.000 2.532 335 S HA 0.543 5.093 4.470 0.134 0.000 0.318 335 S C 1.293 175.760 174.600 -0.222 0.000 1.083 335 S CA -0.129 57.934 58.200 -0.228 0.000 1.131 335 S CB 1.061 64.162 63.200 -0.166 0.000 0.973 335 S HN 0.449 nan 8.310 nan 0.000 0.468 336 G N 3.456 112.139 108.800 -0.195 0.000 2.442 336 G HA2 -0.192 3.849 3.960 0.134 0.000 0.219 336 G HA3 -0.192 3.849 3.960 0.134 0.000 0.219 336 G C 1.245 176.032 174.900 -0.189 0.000 1.141 336 G CA 1.599 46.576 45.100 -0.204 0.000 0.763 336 G HN 0.676 nan 8.290 nan 0.000 0.554 337 T N 0.769 115.248 114.554 -0.125 0.000 2.674 337 T HA -0.073 4.358 4.350 0.134 0.000 0.265 337 T C 2.348 177.006 174.700 -0.070 0.000 1.039 337 T CA 1.489 63.539 62.100 -0.083 0.000 1.150 337 T CB -0.179 68.654 68.868 -0.058 0.000 0.864 337 T HN 0.321 nan 8.240 nan 0.000 0.427 338 K N 0.880 121.237 120.400 -0.072 0.000 2.097 338 K HA -0.096 4.305 4.320 0.134 0.000 0.206 338 K C 2.639 179.222 176.600 -0.027 0.000 1.049 338 K CA 1.155 57.420 56.287 -0.037 0.000 0.933 338 K CB -0.131 32.347 32.500 -0.037 0.000 0.717 338 K HN 0.430 nan 8.250 nan 0.000 0.442 339 Q N 0.197 119.945 119.800 -0.086 0.000 2.050 339 Q HA -0.132 4.289 4.340 0.134 0.000 0.202 339 Q C 2.243 178.210 176.000 -0.056 0.000 0.980 339 Q CA 1.536 57.300 55.803 -0.063 0.000 0.840 339 Q CB -0.198 28.425 28.738 -0.191 0.000 0.898 339 Q HN 0.350 nan 8.270 nan 0.000 0.424 340 A N 0.793 123.512 122.820 -0.168 0.000 1.902 340 A HA -0.191 4.210 4.320 0.134 0.000 0.217 340 A C 2.045 179.672 177.584 0.071 0.000 1.181 340 A CA 1.285 53.301 52.037 -0.035 0.000 0.623 340 A CB -0.652 18.313 19.000 -0.058 0.000 0.818 340 A HN 0.311 nan 8.150 nan 0.000 0.443 341 I N -0.623 119.973 120.570 0.044 0.000 2.202 341 I HA -0.197 4.054 4.170 0.134 0.000 0.242 341 I C 2.349 178.526 176.117 0.098 0.000 1.091 341 I CA 1.136 62.478 61.300 0.070 0.000 1.368 341 I CB -0.319 37.712 38.000 0.052 0.000 1.058 341 I HN 0.151 nan 8.210 nan 0.000 0.410 342 V N 1.020 120.993 119.914 0.097 0.000 2.343 342 V HA -0.280 3.921 4.120 0.134 0.000 0.247 342 V C 2.721 178.886 176.094 0.118 0.000 1.051 342 V CA 1.914 64.281 62.300 0.111 0.000 1.036 342 V CB -1.075 30.816 31.823 0.113 0.000 0.654 342 V HN 0.494 nan 8.190 nan 0.000 0.451 343 A N 0.782 123.696 122.820 0.157 0.000 1.940 343 A HA -0.243 4.158 4.320 0.134 0.000 0.219 343 A C 2.569 180.224 177.584 0.119 0.000 1.176 343 A CA 2.480 54.620 52.037 0.171 0.000 0.631 343 A CB -0.737 18.448 19.000 0.308 0.000 0.814 343 A HN 0.698 nan 8.150 nan 0.000 0.446 344 S N -0.693 115.079 115.700 0.120 0.000 2.387 344 S HA -0.084 4.467 4.470 0.134 0.000 0.226 344 S C 1.766 176.410 174.600 0.073 0.000 1.026 344 S CA 1.290 59.545 58.200 0.093 0.000 0.972 344 S CB -0.799 62.459 63.200 0.097 0.000 0.814 344 S HN 0.237 nan 8.310 nan 0.000 0.477 345 V N 1.821 121.787 119.914 0.086 0.000 2.343 345 V HA -0.120 4.081 4.120 0.134 0.000 0.247 345 V C 2.713 178.809 176.094 0.003 0.000 1.051 345 V CA 1.637 63.975 62.300 0.064 0.000 1.036 345 V CB -0.791 31.102 31.823 0.115 0.000 0.654 345 V HN 0.461 nan 8.190 nan 0.000 0.451 346 V N 0.008 119.931 119.914 0.015 0.000 2.332 346 V HA -0.288 3.912 4.120 0.134 0.000 0.248 346 V C 2.626 178.714 176.094 -0.011 0.000 1.055 346 V CA 2.422 64.717 62.300 -0.008 0.000 1.038 346 V CB -0.749 31.078 31.823 0.007 0.000 0.651 346 V HN 0.459 nan 8.190 nan 0.000 0.450 347 R N -0.389 120.116 120.500 0.009 0.000 2.075 347 R HA -0.114 4.307 4.340 0.134 0.000 0.232 347 R C 2.283 178.580 176.300 -0.004 0.000 1.126 347 R CA 2.041 58.144 56.100 0.004 0.000 0.963 347 R CB -1.455 28.855 30.300 0.016 0.000 0.858 347 R HN 0.572 nan 8.270 nan 0.000 0.435 348 C N -0.758 118.541 119.300 -0.001 0.000 2.432 348 C HA -0.120 4.421 4.460 0.134 0.000 0.277 348 C C 2.769 177.739 174.990 -0.033 0.000 1.249 348 C CA 1.114 60.126 59.018 -0.010 0.000 1.725 348 C CB -1.211 26.530 27.740 0.001 0.000 2.028 348 C HN 0.721 nan 8.230 nan 0.000 0.477 349 C N 0.265 119.531 119.300 -0.056 0.000 2.413 349 C HA -0.124 4.417 4.460 0.134 0.000 0.276 349 C C 2.584 177.543 174.990 -0.051 0.000 1.248 349 C CA 1.633 60.606 59.018 -0.075 0.000 1.742 349 C CB -1.657 26.019 27.740 -0.107 0.000 2.017 349 C HN 0.751 nan 8.230 nan 0.000 0.481 350 E N 0.901 121.078 120.200 -0.039 0.000 2.058 350 E HA -0.244 4.186 4.350 0.134 0.000 0.194 350 E C 1.489 178.075 176.600 -0.022 0.000 0.997 350 E CA 1.613 57.996 56.400 -0.029 0.000 0.801 350 E CB -0.130 29.556 29.700 -0.024 0.000 0.746 350 E HN 0.555 nan 8.360 nan 0.000 0.450 351 D N 0.204 120.593 120.400 -0.019 0.000 2.144 351 D HA -0.131 4.590 4.640 0.134 0.000 0.199 351 D C 1.837 178.129 176.300 -0.014 0.000 0.984 351 D CA 0.856 54.848 54.000 -0.013 0.000 0.834 351 D CB -0.027 40.767 40.800 -0.009 0.000 0.955 351 D HN 0.298 nan 8.370 nan 0.000 0.465 352 L N -0.521 120.690 121.223 -0.020 0.000 2.591 352 L HA 0.196 4.617 4.340 0.134 0.000 0.228 352 L C 1.239 178.098 176.870 -0.017 0.000 1.133 352 L CA 0.202 55.031 54.840 -0.019 0.000 0.880 352 L CB -0.140 41.901 42.059 -0.030 0.000 1.033 352 L HN 0.034 nan 8.230 nan 0.000 0.450 353 G N 1.653 110.440 108.800 -0.021 0.000 2.246 353 G HA2 -0.288 3.752 3.960 0.134 0.000 0.273 353 G HA3 -0.288 3.752 3.960 0.134 0.000 0.273 353 G C 0.004 174.891 174.900 -0.022 0.000 1.055 353 G CA 0.036 45.125 45.100 -0.018 0.000 0.851 353 G HN 0.332 nan 8.290 nan 0.000 0.500 354 I N 0.796 121.343 120.570 -0.038 0.000 2.359 354 I HA 0.291 4.542 4.170 0.134 0.000 0.294 354 I C 0.858 176.939 176.117 -0.059 0.000 0.987 354 I CA -0.689 60.582 61.300 -0.049 0.000 1.225 354 I CB 1.630 39.583 38.000 -0.079 0.000 1.366 354 I HN 0.026 nan 8.210 nan 0.000 0.466 355 T N 5.620 120.144 114.554 -0.051 0.000 2.870 355 T HA 0.257 4.688 4.350 0.134 0.000 0.300 355 T C -0.061 174.589 174.700 -0.084 0.000 0.989 355 T CA -0.273 61.792 62.100 -0.059 0.000 1.139 355 T CB 0.800 69.644 68.868 -0.041 0.000 0.920 355 T HN 0.201 nan 8.240 nan 0.000 0.537 356 V N 4.593 124.446 119.914 -0.101 0.000 2.417 356 V HA 0.452 4.653 4.120 0.134 0.000 0.291 356 V C -0.046 175.962 176.094 -0.144 0.000 1.024 356 V CA -0.707 61.520 62.300 -0.121 0.000 0.861 356 V CB 1.746 33.498 31.823 -0.119 0.000 0.985 356 V HN 0.667 nan 8.190 nan 0.000 0.436 357 V N 3.672 123.514 119.914 -0.121 0.000 2.555 357 V HA 0.753 4.954 4.120 0.134 0.000 0.302 357 V C 0.367 176.404 176.094 -0.095 0.000 1.038 357 V CA -0.675 61.543 62.300 -0.138 0.000 0.887 357 V CB 1.911 33.690 31.823 -0.074 0.000 0.991 357 V HN 0.973 nan 8.190 nan 0.000 0.434 358 A N 4.097 126.844 122.820 -0.121 0.000 2.289 358 A HA 0.639 5.040 4.320 0.134 0.000 0.298 358 A C 0.033 177.682 177.584 0.108 0.000 1.208 358 A CA -0.471 51.584 52.037 0.030 0.000 0.845 358 A CB 0.208 19.278 19.000 0.116 0.000 1.125 358 A HN 0.860 nan 8.150 nan 0.000 0.517 359 E N 0.921 121.174 120.200 0.088 0.000 2.250 359 E HA 0.505 4.936 4.350 0.134 0.000 0.269 359 E C 0.731 177.367 176.600 0.059 0.000 1.018 359 E CA -0.075 56.367 56.400 0.070 0.000 0.873 359 E CB 1.076 30.798 29.700 0.036 0.000 1.134 359 E HN 1.278 nan 8.360 nan 0.000 0.403 360 G N 0.791 109.588 108.800 -0.006 0.000 2.198 360 G HA2 -0.253 3.788 3.960 0.134 0.000 0.257 360 G HA3 -0.253 3.788 3.960 0.134 0.000 0.257 360 G C 0.060 174.945 174.900 -0.026 0.000 1.042 360 G CA 0.019 45.067 45.100 -0.086 0.000 0.791 360 G HN 0.304 nan 8.290 nan 0.000 0.502 361 V N 0.264 120.219 119.914 0.068 0.000 2.387 361 V HA 0.272 4.473 4.120 0.134 0.000 0.260 361 V C 1.165 177.252 176.094 -0.012 0.000 1.054 361 V CA 0.706 63.080 62.300 0.123 0.000 0.967 361 V CB 1.027 33.065 31.823 0.357 0.000 1.036 361 V HN 0.553 nan 8.190 nan 0.000 0.481 362 E N 2.296 122.478 120.200 -0.030 0.000 2.413 362 E HA 0.098 4.529 4.350 0.134 0.000 0.203 362 E C 0.729 177.283 176.600 -0.078 0.000 0.957 362 E CA 0.444 56.819 56.400 -0.043 0.000 0.950 362 E CB 1.051 30.749 29.700 -0.004 0.000 0.957 362 E HN 0.814 nan 8.360 nan 0.000 0.497 363 T N -2.992 111.517 114.554 -0.076 0.000 2.896 363 T HA 0.363 4.793 4.350 0.134 0.000 0.297 363 T C 0.754 175.423 174.700 -0.052 0.000 1.108 363 T CA -0.742 61.311 62.100 -0.079 0.000 1.004 363 T CB 1.411 70.236 68.868 -0.073 0.000 1.159 363 T HN -0.097 nan 8.240 nan 0.000 0.499 364 L N 0.439 121.645 121.223 -0.029 0.000 2.131 364 L HA -0.031 4.390 4.340 0.134 0.000 0.210 364 L C 2.602 179.564 176.870 0.154 0.000 1.092 364 L CA 1.336 56.224 54.840 0.081 0.000 0.759 364 L CB -0.436 41.686 42.059 0.106 0.000 0.903 364 L HN 0.738 nan 8.230 nan 0.000 0.435 365 E N 0.202 120.439 120.200 0.062 0.000 2.051 365 E HA -0.225 4.205 4.350 0.134 0.000 0.192 365 E C 2.052 178.766 176.600 0.190 0.000 0.991 365 E CA 1.244 57.689 56.400 0.075 0.000 0.799 365 E CB -0.070 29.460 29.700 -0.283 0.000 0.748 365 E HN 0.449 nan 8.360 nan 0.000 0.449 366 E N -0.631 119.626 120.200 0.095 0.000 2.051 366 E HA -0.196 4.234 4.350 0.134 0.000 0.192 366 E C 1.815 178.564 176.600 0.249 0.000 0.991 366 E CA 1.091 57.604 56.400 0.189 0.000 0.799 366 E CB -0.318 29.465 29.700 0.138 0.000 0.748 366 E HN 0.347 nan 8.360 nan 0.000 0.449 367 W N 1.251 122.549 121.300 -0.003 0.000 2.335 367 W HA -0.267 4.473 4.660 0.133 0.000 0.311 367 W C 2.125 178.590 176.519 -0.090 0.000 1.213 367 W CA 1.233 58.499 57.345 -0.132 0.000 1.274 367 W CB -0.654 28.627 29.460 -0.299 0.000 1.148 367 W HN 0.057 nan 8.180 nan 0.000 0.498 368 C N -0.436 118.712 119.300 -0.254 0.000 2.413 368 C HA -0.236 4.304 4.460 0.134 0.000 0.277 368 C C 2.370 177.129 174.990 -0.385 0.000 1.228 368 C CA 1.344 60.037 59.018 -0.541 0.000 1.731 368 C CB -1.871 25.722 27.740 -0.245 0.000 2.042 368 C HN 0.566 nan 8.230 nan 0.000 0.468 369 W N 0.807 122.046 121.300 -0.102 0.000 2.363 369 W HA -0.014 4.726 4.660 0.133 0.000 0.296 369 W C 2.393 178.916 176.519 0.006 0.000 1.212 369 W CA 0.740 58.082 57.345 -0.005 0.000 1.260 369 W CB -0.712 28.796 29.460 0.080 0.000 1.131 369 W HN 0.258 nan 8.180 nan 0.000 0.530 370 L N -0.307 121.054 121.223 0.231 0.000 2.017 370 L HA -0.274 4.147 4.340 0.134 0.000 0.208 370 L C 2.584 179.522 176.870 0.114 0.000 1.073 370 L CA 1.642 56.618 54.840 0.227 0.000 0.745 370 L CB -1.024 41.285 42.059 0.418 0.000 0.894 370 L HN -0.010 nan 8.230 nan 0.000 0.432 371 Q N 0.325 120.071 119.800 -0.090 0.000 2.096 371 Q HA -0.227 4.194 4.340 0.134 0.000 0.204 371 Q C 2.293 178.208 176.000 -0.142 0.000 0.982 371 Q CA 2.338 58.023 55.803 -0.195 0.000 0.850 371 Q CB -0.224 28.098 28.738 -0.693 0.000 0.901 371 Q HN 0.550 nan 8.270 nan 0.000 0.422 372 S N -1.076 114.527 115.700 -0.161 0.000 2.447 372 S HA -0.097 4.453 4.470 0.134 0.000 0.233 372 S C 1.599 176.198 174.600 -0.002 0.000 1.006 372 S CA 0.936 59.065 58.200 -0.118 0.000 0.957 372 S CB -0.424 62.645 63.200 -0.218 0.000 0.773 372 S HN 0.428 nan 8.310 nan 0.000 0.507 373 V N -2.715 117.245 119.914 0.077 0.000 3.647 373 V HA 0.720 4.920 4.120 0.134 0.000 0.279 373 V C 1.374 177.503 176.094 0.058 0.000 1.314 373 V CA 0.143 62.514 62.300 0.119 0.000 1.125 373 V CB -0.763 31.195 31.823 0.224 0.000 0.907 373 V HN 0.755 nan 8.190 nan 0.000 0.434 374 G N 0.556 109.368 108.800 0.020 0.000 2.168 374 G HA2 -0.165 3.876 3.960 0.134 0.000 0.197 374 G HA3 -0.165 3.876 3.960 0.134 0.000 0.197 374 G C -0.064 174.822 174.900 -0.024 0.000 0.997 374 G CA -0.026 45.072 45.100 -0.004 0.000 0.658 374 G HN 0.502 nan 8.290 nan 0.000 0.513 375 I N 0.867 121.422 120.570 -0.024 0.000 2.496 375 I HA 0.276 4.527 4.170 0.134 0.000 0.285 375 I C 1.329 177.340 176.117 -0.176 0.000 1.080 375 I CA -0.109 61.105 61.300 -0.144 0.000 1.404 375 I CB 0.985 38.876 38.000 -0.182 0.000 1.403 375 I HN 0.032 nan 8.210 nan 0.000 0.539 376 R N 5.274 125.608 120.500 -0.278 0.000 2.469 376 R HA 0.403 4.824 4.340 0.134 0.000 0.250 376 R C -0.282 175.869 176.300 -0.248 0.000 0.909 376 R CA 0.066 56.096 56.100 -0.117 0.000 1.050 376 R CB 0.519 30.810 30.300 -0.015 0.000 1.256 376 R HN 0.494 nan 8.270 nan 0.000 0.550 377 L N 1.033 121.921 121.223 -0.559 0.000 2.346 377 L HA 0.559 4.980 4.340 0.134 0.000 0.276 377 L C -0.970 175.460 176.870 -0.733 0.000 1.006 377 L CA -0.706 53.883 54.840 -0.419 0.000 0.817 377 L CB 1.411 43.339 42.059 -0.218 0.000 1.272 377 L HN -0.221 nan 8.230 nan 0.000 0.421 378 F N 0.835 120.732 119.950 -0.090 0.000 2.578 378 F HA 0.491 5.101 4.527 0.138 0.000 0.311 378 F C -0.231 175.529 175.800 -0.067 0.000 1.094 378 F CA -0.591 57.376 58.000 -0.054 0.000 0.923 378 F CB 2.128 41.062 39.000 -0.110 0.000 1.230 378 F HN 0.343 nan 8.300 nan 0.000 0.450 379 Q N 1.663 121.606 119.800 0.240 0.000 2.292 379 Q HA 0.733 5.154 4.340 0.134 0.000 0.270 379 Q C -0.856 175.275 176.000 0.219 0.000 1.024 379 Q CA -0.592 55.316 55.803 0.176 0.000 0.768 379 Q CB 2.342 31.132 28.738 0.087 0.000 1.250 379 Q HN 1.020 nan 8.270 nan 0.000 0.447 380 G N 1.366 110.313 108.800 0.245 0.000 2.338 380 G HA2 0.188 4.228 3.960 0.134 0.000 0.295 380 G HA3 0.188 4.228 3.960 0.134 0.000 0.295 380 G C -0.685 174.326 174.900 0.184 0.000 1.461 380 G CA -0.714 44.447 45.100 0.102 0.000 0.817 380 G HN 0.442 nan 8.290 nan 0.000 0.556 381 F N 0.035 119.993 119.950 0.013 0.000 2.333 381 F HA 0.032 4.640 4.527 0.135 0.000 0.300 381 F C 2.592 178.304 175.800 -0.147 0.000 1.083 381 F CA 0.649 58.623 58.000 -0.043 0.000 1.395 381 F CB -0.586 38.392 39.000 -0.038 0.000 1.056 381 F HN 0.314 nan 8.300 nan 0.000 0.529 382 L N -0.891 120.268 121.223 -0.106 0.000 2.079 382 L HA -0.220 4.201 4.340 0.134 0.000 0.210 382 L C 1.887 178.395 176.870 -0.604 0.000 1.081 382 L CA 2.021 56.581 54.840 -0.466 0.000 0.752 382 L CB -0.670 40.889 42.059 -0.833 0.000 0.896 382 L HN 0.002 nan 8.230 nan 0.000 0.433 383 F N -2.179 117.698 119.950 -0.123 0.000 2.343 383 F HA 0.287 4.895 4.527 0.135 0.000 0.286 383 F C 1.169 176.839 175.800 -0.218 0.000 1.057 383 F CA 0.448 58.299 58.000 -0.249 0.000 1.365 383 F CB -0.411 38.420 39.000 -0.282 0.000 1.114 383 F HN 0.032 nan 8.300 nan 0.000 0.545 384 S N -0.040 115.720 115.700 0.101 0.000 2.592 384 S HA 0.527 5.078 4.470 0.134 0.000 0.275 384 S C -0.981 173.708 174.600 0.149 0.000 1.169 384 S CA -0.809 57.427 58.200 0.060 0.000 0.958 384 S CB 0.926 64.142 63.200 0.027 0.000 1.095 384 S HN 0.108 nan 8.310 nan 0.000 0.471 385 R N 3.055 123.605 120.500 0.084 0.000 2.457 385 R HA 0.514 4.935 4.340 0.134 0.000 0.284 385 R C -2.554 173.801 176.300 0.092 0.000 1.024 385 R CA -2.025 54.121 56.100 0.076 0.000 1.025 385 R CB 0.499 30.701 30.300 -0.163 0.000 1.063 385 R HN 0.419 nan 8.270 nan 0.000 0.493 386 P HA -0.071 nan 4.420 nan 0.000 0.266 386 P C -0.821 176.520 177.300 0.068 0.000 1.195 386 P CA -0.132 63.046 63.100 0.129 0.000 0.768 386 P CB 0.494 32.286 31.700 0.154 0.000 0.838 387 C N 5.522 124.866 119.300 0.075 0.000 2.396 387 C HA 0.483 5.023 4.460 0.134 0.000 0.321 387 C C -0.409 174.610 174.990 0.048 0.000 1.233 387 C CA -1.031 58.013 59.018 0.044 0.000 1.440 387 C CB -0.287 27.476 27.740 0.037 0.000 2.110 387 C HN 0.547 nan 8.230 nan 0.000 0.473 388 L N 7.457 128.703 121.223 0.038 0.000 2.500 388 L HA 0.280 4.701 4.340 0.134 0.000 0.272 388 L C 0.775 177.669 176.870 0.040 0.000 1.149 388 L CA 1.135 56.001 54.840 0.043 0.000 0.897 388 L CB -0.334 41.747 42.059 0.036 0.000 1.178 388 L HN 0.867 nan 8.230 nan 0.000 0.473 389 N N 3.497 122.229 118.700 0.054 0.000 2.727 389 N HA -0.183 4.638 4.740 0.134 0.000 0.249 389 N C -0.013 175.501 175.510 0.007 0.000 1.048 389 N CA 1.115 54.189 53.050 0.041 0.000 0.714 389 N CB -1.299 37.205 38.487 0.029 0.000 0.959 389 N HN 1.011 nan 8.380 nan 0.000 0.544 390 G N -1.209 107.584 108.800 -0.011 0.000 2.368 390 G HA2 0.474 4.515 3.960 0.134 0.000 0.293 390 G HA3 0.474 4.515 3.960 0.134 0.000 0.293 390 G C -0.983 173.876 174.900 -0.068 0.000 1.467 390 G CA -0.960 44.112 45.100 -0.046 0.000 0.804 390 G HN 0.118 nan 8.290 nan 0.000 0.535 391 I N 1.832 122.341 120.570 -0.102 0.000 2.337 391 I HA 0.418 4.669 4.170 0.134 0.000 0.291 391 I C 1.372 177.502 176.117 0.022 0.000 1.046 391 I CA -0.138 61.111 61.300 -0.084 0.000 1.324 391 I CB 1.074 38.988 38.000 -0.143 0.000 1.409 391 I HN 0.596 nan 8.210 nan 0.000 0.494 392 G N 5.467 114.308 108.800 0.069 0.000 2.563 392 G HA2 0.265 4.305 3.960 0.134 0.000 0.283 392 G HA3 0.265 4.305 3.960 0.134 0.000 0.283 392 G C -0.284 174.643 174.900 0.044 0.000 1.309 392 G CA -0.542 44.587 45.100 0.049 0.000 1.022 392 G HN 0.730 nan 8.290 nan 0.000 0.501 393 E N -1.293 118.913 120.200 0.011 0.000 2.373 393 E HA 0.399 4.830 4.350 0.134 0.000 0.263 393 E C -0.885 175.679 176.600 -0.059 0.000 1.073 393 E CA -0.336 56.057 56.400 -0.011 0.000 0.894 393 E CB 1.308 30.996 29.700 -0.019 0.000 1.008 393 E HN 0.251 nan 8.360 nan 0.000 0.420 394 I N 1.918 122.415 120.570 -0.123 0.000 2.436 394 I HA 0.237 4.488 4.170 0.134 0.000 0.289 394 I C -0.746 175.104 176.117 -0.446 0.000 1.010 394 I CA -0.931 60.180 61.300 -0.316 0.000 1.098 394 I CB 1.766 39.494 38.000 -0.453 0.000 1.266 394 I HN 0.599 nan 8.210 nan 0.000 0.434 395 C N 4.476 123.517 119.300 -0.431 0.000 2.358 395 C HA 0.509 5.049 4.460 0.134 0.000 0.342 395 C C -0.655 174.086 174.990 -0.414 0.000 1.234 395 C CA -0.651 58.168 59.018 -0.332 0.000 1.969 395 C CB 0.287 27.911 27.740 -0.194 0.000 2.346 395 C HN 0.710 nan 8.230 nan 0.000 0.525 396 W N 2.641 123.957 121.300 0.026 0.000 2.736 396 W HA 0.449 5.188 4.660 0.133 0.000 0.335 396 W C -2.242 174.241 176.519 -0.059 0.000 1.059 396 W CA -2.301 55.049 57.345 0.008 0.000 1.226 396 W CB 0.923 30.392 29.460 0.015 0.000 1.416 396 W HN 0.415 nan 8.180 nan 0.000 0.505 397 P HA 0.146 nan 4.420 nan 0.000 0.276 397 P C -0.751 176.736 177.300 0.313 0.000 1.230 397 P CA 0.019 63.104 63.100 -0.024 0.000 0.776 397 P CB 1.024 32.260 31.700 -0.773 0.000 0.888 398 V N -0.321 119.839 119.914 0.409 0.000 2.735 398 V HA 0.888 5.089 4.120 0.134 0.000 0.310 398 V C -0.305 175.890 176.094 0.169 0.000 1.061 398 V CA -1.492 61.005 62.300 0.329 0.000 0.913 398 V CB 1.569 33.488 31.823 0.159 0.000 1.005 398 V HN 0.640 nan 8.190 nan 0.000 0.428 399 A N 4.534 127.216 122.820 -0.231 0.000 2.322 399 A HA 0.834 5.235 4.320 0.134 0.000 0.269 399 A C 0.356 177.716 177.584 -0.373 0.000 1.094 399 A CA -0.647 50.919 52.037 -0.785 0.000 0.807 399 A CB 0.545 18.984 19.000 -0.935 0.000 1.047 399 A HN 0.993 nan 8.150 nan 0.000 0.487 400 R N 0.000 120.273 120.500 -0.379 0.000 2.786 400 R HA 0.000 4.421 4.340 0.134 0.000 0.208 400 R CA 0.000 55.980 56.100 -0.201 0.000 0.921 400 R CB 0.000 30.222 30.300 -0.129 0.000 0.687 400 R HN 0.000 nan 8.270 nan 0.000 0.535