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 2deq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGHGRLN DATA SEQUENCE RKWESPEGGL WLSIVLSPKV PQKDLPKIVF LGAVGVVETL KEFSIDGRIK DATA SEQUENCE WPNDVLVNYK GIAGVLVEGK GDKIVLGIGL NVNNKVPNGA TSMKLELGSE DATA SEQUENCE VPLLSVFRSL ITNLDRLYLN FLKNPMDILN LVRDNMILGV RVKILGDGSF DATA SEQUENCE EGIAEDIDDF GRLIIRLDSG EVKKVIYGDV SLRFL 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 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 2 L N 2.051 123.271 121.223 -0.003 0.000 2.240 2 L HA 0.298 4.647 4.340 0.015 0.000 0.211 2 L C 1.557 178.448 176.870 0.034 0.000 1.106 2 L CA 1.371 56.220 54.840 0.015 0.000 0.793 2 L CB -0.581 41.501 42.059 0.037 0.000 0.927 2 L HN 0.768 nan 8.230 nan 0.000 0.446 3 G N 1.139 109.957 108.800 0.030 0.000 2.249 3 G HA2 -0.280 3.689 3.960 0.015 0.000 0.273 3 G HA3 -0.280 3.689 3.960 0.015 0.000 0.273 3 G C 0.225 175.149 174.900 0.040 0.000 1.036 3 G CA -0.140 44.978 45.100 0.030 0.000 0.824 3 G HN 0.226 nan 8.290 nan 0.000 0.504 4 L N -0.666 120.590 121.223 0.055 0.000 2.485 4 L HA 0.236 4.585 4.340 0.015 0.000 0.275 4 L C 1.244 178.138 176.870 0.039 0.000 1.207 4 L CA 0.089 54.964 54.840 0.058 0.000 0.855 4 L CB 0.526 42.633 42.059 0.080 0.000 1.114 4 L HN -0.024 nan 8.230 nan 0.000 0.485 5 K N 1.089 121.507 120.400 0.030 0.000 2.478 5 K HA 0.148 4.477 4.320 0.015 0.000 0.205 5 K C 0.361 176.975 176.600 0.023 0.000 1.033 5 K CA -0.048 56.253 56.287 0.024 0.000 1.091 5 K CB 0.371 32.882 32.500 0.019 0.000 0.844 5 K HN 0.728 nan 8.250 nan 0.000 0.507 6 T N -1.757 112.811 114.554 0.024 0.000 2.860 6 T HA 0.181 4.540 4.350 0.015 0.000 0.299 6 T C 1.387 176.108 174.700 0.036 0.000 1.045 6 T CA -0.285 61.830 62.100 0.025 0.000 1.071 6 T CB 1.433 70.310 68.868 0.015 0.000 0.985 6 T HN -0.108 nan 8.240 nan 0.000 0.537 7 S N 0.710 116.437 115.700 0.045 0.000 2.362 7 S HA 0.134 4.613 4.470 0.015 0.000 0.221 7 S C 1.582 176.222 174.600 0.067 0.000 1.032 7 S CA 0.440 58.672 58.200 0.052 0.000 0.973 7 S CB -0.327 62.906 63.200 0.054 0.000 0.849 7 S HN 0.709 nan 8.310 nan 0.000 0.465 8 I N -0.069 120.554 120.570 0.088 0.000 3.623 8 I HA 0.257 4.436 4.170 0.015 0.000 0.253 8 I C -0.180 175.974 176.117 0.061 0.000 1.144 8 I CA -0.033 61.328 61.300 0.102 0.000 1.461 8 I CB 0.114 38.231 38.000 0.195 0.000 1.575 8 I HN 0.030 nan 8.210 nan 0.000 0.445 9 I N 2.789 123.384 120.570 0.042 0.000 2.581 9 I HA 0.111 4.290 4.170 0.015 0.000 0.285 9 I C 0.975 177.090 176.117 -0.004 0.000 1.129 9 I CA 0.824 62.113 61.300 -0.019 0.000 1.397 9 I CB 0.046 38.005 38.000 -0.068 0.000 1.399 9 I HN 0.617 nan 8.210 nan 0.000 0.537 10 G N 5.138 113.951 108.800 0.021 0.000 2.168 10 G HA2 -0.218 3.751 3.960 0.015 0.000 0.197 10 G HA3 -0.218 3.751 3.960 0.015 0.000 0.197 10 G C 1.048 175.990 174.900 0.070 0.000 0.997 10 G CA -0.290 44.844 45.100 0.057 0.000 0.658 10 G HN 0.634 nan 8.290 nan 0.000 0.513 11 R N -0.366 120.170 120.500 0.059 0.000 2.120 11 R HA 0.044 4.393 4.340 0.015 0.000 0.234 11 R C 1.173 177.512 176.300 0.065 0.000 1.123 11 R CA 1.221 57.356 56.100 0.058 0.000 0.975 11 R CB 0.008 30.341 30.300 0.055 0.000 0.866 11 R HN 0.414 nan 8.270 nan 0.000 0.446 12 R N -0.498 120.048 120.500 0.077 0.000 2.725 12 R HA 0.477 4.826 4.340 0.015 0.000 0.277 12 R C -1.529 174.837 176.300 0.110 0.000 0.987 12 R CA -0.717 55.433 56.100 0.083 0.000 0.901 12 R CB 2.935 33.282 30.300 0.080 0.000 1.207 12 R HN -0.174 nan 8.270 nan 0.000 0.463 13 V N 3.584 123.564 119.914 0.109 0.000 2.623 13 V HA 0.469 4.599 4.120 0.015 0.000 0.304 13 V C -0.605 175.546 176.094 0.095 0.000 1.054 13 V CA -0.655 61.727 62.300 0.136 0.000 0.882 13 V CB 2.207 34.124 31.823 0.156 0.000 1.002 13 V HN 0.600 nan 8.190 nan 0.000 0.424 14 I N 5.120 125.760 120.570 0.117 0.000 2.355 14 I HA 0.421 4.600 4.170 0.015 0.000 0.288 14 I C -0.987 175.164 176.117 0.058 0.000 0.999 14 I CA -0.669 60.653 61.300 0.036 0.000 1.163 14 I CB 1.319 39.363 38.000 0.074 0.000 1.316 14 I HN 0.705 nan 8.210 nan 0.000 0.454 15 Y N 7.690 127.876 120.300 -0.191 0.000 2.361 15 Y HA 0.655 5.214 4.550 0.014 0.000 0.332 15 Y C -1.612 174.121 175.900 -0.278 0.000 1.101 15 Y CA -0.678 57.348 58.100 -0.123 0.000 1.137 15 Y CB 1.109 39.480 38.460 -0.148 0.000 1.207 15 Y HN 0.313 nan 8.280 nan 0.000 0.463 16 F N 3.940 123.283 119.950 -1.012 0.000 2.556 16 F HA 0.350 4.886 4.527 0.015 0.000 0.314 16 F C 0.887 176.090 175.800 -0.995 0.000 1.106 16 F CA -0.789 56.693 58.000 -0.865 0.000 0.911 16 F CB 2.345 41.063 39.000 -0.470 0.000 1.190 16 F HN 0.593 nan 8.300 nan 0.000 0.448 17 Q N 0.664 120.156 119.800 -0.513 0.000 2.167 17 Q HA -0.077 4.272 4.340 0.015 0.000 0.202 17 Q C 0.102 176.061 176.000 -0.068 0.000 0.970 17 Q CA 1.319 56.998 55.803 -0.208 0.000 0.855 17 Q CB 0.475 29.182 28.738 -0.051 0.000 0.911 17 Q HN 0.682 nan 8.270 nan 0.000 0.438 18 E N -0.551 119.625 120.200 -0.040 0.000 2.372 18 E HA 0.565 4.925 4.350 0.015 0.000 0.279 18 E C -1.894 174.671 176.600 -0.058 0.000 0.946 18 E CA -0.394 55.992 56.400 -0.023 0.000 0.769 18 E CB 1.807 31.502 29.700 -0.010 0.000 1.230 18 E HN 0.064 nan 8.360 nan 0.000 0.442 19 I N 1.657 122.146 120.570 -0.135 0.000 3.004 19 I HA 0.231 4.410 4.170 0.015 0.000 0.305 19 I C 1.062 177.079 176.117 -0.167 0.000 1.312 19 I CA -0.298 60.846 61.300 -0.260 0.000 0.992 19 I CB 2.215 39.846 38.000 -0.614 0.000 1.282 19 I HN 0.839 nan 8.210 nan 0.000 0.449 20 T N 0.746 115.218 114.554 -0.138 0.000 2.668 20 T HA 0.026 4.385 4.350 0.015 0.000 0.262 20 T C 0.663 175.319 174.700 -0.074 0.000 1.045 20 T CA 0.981 63.037 62.100 -0.074 0.000 1.152 20 T CB -0.177 68.671 68.868 -0.033 0.000 0.864 20 T HN 0.507 nan 8.240 nan 0.000 0.419 21 S N 0.029 115.676 115.700 -0.089 0.000 2.584 21 S HA 0.416 4.895 4.470 0.015 0.000 0.280 21 S C 0.815 175.353 174.600 -0.103 0.000 1.162 21 S CA 0.001 58.151 58.200 -0.082 0.000 0.951 21 S CB 1.402 64.612 63.200 0.015 0.000 1.108 21 S HN 0.541 nan 8.310 nan 0.000 0.464 22 T N 2.824 117.302 114.554 -0.127 0.000 2.833 22 T HA -0.080 4.279 4.350 0.015 0.000 0.269 22 T C 1.421 176.113 174.700 -0.014 0.000 1.054 22 T CA 1.625 63.668 62.100 -0.095 0.000 1.135 22 T CB -0.567 68.271 68.868 -0.050 0.000 0.869 22 T HN 0.517 nan 8.240 nan 0.000 0.466 23 N N 1.184 119.841 118.700 -0.072 0.000 2.142 23 N HA -0.039 4.710 4.740 0.015 0.000 0.186 23 N C 2.064 177.579 175.510 0.008 0.000 1.023 23 N CA 1.079 54.093 53.050 -0.061 0.000 0.852 23 N CB -0.202 38.185 38.487 -0.165 0.000 0.998 23 N HN 0.411 nan 8.380 nan 0.000 0.424 24 E N -0.229 119.999 120.200 0.047 0.000 2.072 24 E HA -0.141 4.218 4.350 0.015 0.000 0.191 24 E C 1.750 178.365 176.600 0.025 0.000 0.985 24 E CA 0.523 56.956 56.400 0.056 0.000 0.801 24 E CB -0.468 29.282 29.700 0.083 0.000 0.750 24 E HN 0.396 nan 8.360 nan 0.000 0.452 25 F N 1.573 121.464 119.950 -0.098 0.000 2.134 25 F HA -0.163 4.373 4.527 0.016 0.000 0.299 25 F C 2.265 178.028 175.800 -0.062 0.000 1.097 25 F CA 1.539 59.478 58.000 -0.101 0.000 1.264 25 F CB -0.199 38.688 39.000 -0.189 0.000 1.001 25 F HN -0.009 nan 8.300 nan 0.000 0.479 26 A N 0.230 123.120 122.820 0.117 0.000 1.902 26 A HA -0.190 4.139 4.320 0.015 0.000 0.217 26 A C 2.245 179.783 177.584 -0.077 0.000 1.181 26 A CA 1.809 53.871 52.037 0.043 0.000 0.623 26 A CB -0.639 18.403 19.000 0.070 0.000 0.818 26 A HN 0.444 nan 8.150 nan 0.000 0.443 27 K N -0.975 119.379 120.400 -0.076 0.000 2.025 27 K HA -0.087 4.242 4.320 0.015 0.000 0.207 27 K C 2.127 178.625 176.600 -0.169 0.000 1.049 27 K CA 1.778 58.008 56.287 -0.095 0.000 0.933 27 K CB -0.398 32.066 32.500 -0.061 0.000 0.714 27 K HN 0.467 nan 8.250 nan 0.000 0.438 28 T N 1.124 115.546 114.554 -0.220 0.000 2.770 28 T HA -0.034 4.325 4.350 0.015 0.000 0.263 28 T C 1.055 175.485 174.700 -0.450 0.000 1.039 28 T CA 0.673 62.594 62.100 -0.299 0.000 1.142 28 T CB 0.007 68.715 68.868 -0.267 0.000 0.868 28 T HN 0.095 nan 8.240 nan 0.000 0.435 29 S N 0.573 115.954 115.700 -0.532 0.000 2.603 29 S HA 0.291 4.770 4.470 0.015 0.000 0.268 29 S C -0.728 173.639 174.600 -0.387 0.000 1.317 29 S CA -0.553 57.323 58.200 -0.540 0.000 1.012 29 S CB 0.136 62.899 63.200 -0.728 0.000 0.926 29 S HN 0.269 nan 8.310 nan 0.000 0.539 30 Y N 1.852 122.086 120.300 -0.110 0.000 2.556 30 Y HA 0.445 5.005 4.550 0.016 0.000 0.352 30 Y C 0.081 175.969 175.900 -0.020 0.000 1.006 30 Y CA -0.283 57.788 58.100 -0.049 0.000 1.277 30 Y CB -0.372 38.069 38.460 -0.031 0.000 1.136 30 Y HN 0.320 nan 8.280 nan 0.000 0.523 31 L N 2.736 124.030 121.223 0.118 0.000 2.371 31 L HA 0.501 4.850 4.340 0.015 0.000 0.262 31 L C -0.189 176.735 176.870 0.090 0.000 1.006 31 L CA -1.292 53.610 54.840 0.102 0.000 0.818 31 L CB 1.966 44.078 42.059 0.089 0.000 1.354 31 L HN 0.314 nan 8.230 nan 0.000 0.415 32 E N 1.220 121.471 120.200 0.084 0.000 2.373 32 E HA 0.089 4.448 4.350 0.015 0.000 0.263 32 E C -0.502 176.134 176.600 0.059 0.000 1.073 32 E CA -0.321 56.120 56.400 0.069 0.000 0.894 32 E CB 1.201 30.940 29.700 0.065 0.000 1.008 32 E HN 0.491 nan 8.360 nan 0.000 0.420 33 E N -0.146 120.087 120.200 0.056 0.000 2.413 33 E HA 0.105 4.464 4.350 0.015 0.000 0.263 33 E C 0.668 177.289 176.600 0.036 0.000 1.015 33 E CA 0.842 57.269 56.400 0.045 0.000 0.916 33 E CB 0.118 29.862 29.700 0.073 0.000 0.947 33 E HN 0.670 nan 8.360 nan 0.000 0.440 34 G N 3.165 111.961 108.800 -0.006 0.000 2.217 34 G HA2 -0.253 3.716 3.960 0.015 0.000 0.246 34 G HA3 -0.253 3.716 3.960 0.015 0.000 0.246 34 G C 0.333 175.244 174.900 0.018 0.000 0.990 34 G CA 0.223 45.318 45.100 -0.008 0.000 0.627 34 G HN 0.637 nan 8.290 nan 0.000 0.522 35 T N 1.429 116.008 114.554 0.042 0.000 2.888 35 T HA 0.454 4.814 4.350 0.015 0.000 0.301 35 T C 0.420 175.172 174.700 0.086 0.000 1.001 35 T CA 0.272 62.419 62.100 0.079 0.000 1.147 35 T CB 2.042 70.972 68.868 0.105 0.000 0.931 35 T HN 0.505 nan 8.240 nan 0.000 0.541 36 V N 5.412 125.399 119.914 0.122 0.000 2.435 36 V HA 0.398 4.527 4.120 0.015 0.000 0.290 36 V C -0.077 176.133 176.094 0.193 0.000 1.030 36 V CA -0.917 61.473 62.300 0.150 0.000 0.881 36 V CB 1.428 33.377 31.823 0.210 0.000 0.983 36 V HN 0.690 nan 8.190 nan 0.000 0.445 37 I N 5.495 126.176 120.570 0.184 0.000 2.339 37 I HA 0.527 4.706 4.170 0.015 0.000 0.290 37 I C -0.208 176.013 176.117 0.173 0.000 0.994 37 I CA -0.368 61.053 61.300 0.201 0.000 1.191 37 I CB 1.430 39.541 38.000 0.185 0.000 1.343 37 I HN 0.372 nan 8.210 nan 0.000 0.458 38 V N 5.946 125.986 119.914 0.209 0.000 2.789 38 V HA 0.928 5.057 4.120 0.015 0.000 0.311 38 V C -0.848 175.359 176.094 0.189 0.000 1.073 38 V CA -0.301 62.114 62.300 0.192 0.000 0.921 38 V CB 2.099 34.030 31.823 0.179 0.000 1.009 38 V HN 0.905 nan 8.190 nan 0.000 0.426 39 A N 3.658 126.576 122.820 0.162 0.000 2.475 39 A HA 0.636 4.965 4.320 0.015 0.000 0.301 39 A C 0.214 177.931 177.584 0.222 0.000 1.059 39 A CA -0.426 51.678 52.037 0.113 0.000 0.710 39 A CB 1.580 20.591 19.000 0.018 0.000 1.288 39 A HN 0.786 nan 8.150 nan 0.000 0.408 40 D N 0.604 121.105 120.400 0.169 0.000 2.144 40 D HA -0.039 4.610 4.640 0.015 0.000 0.199 40 D C 0.455 176.968 176.300 0.355 0.000 0.984 40 D CA 1.899 56.033 54.000 0.223 0.000 0.834 40 D CB 0.177 41.087 40.800 0.183 0.000 0.955 40 D HN 0.701 nan 8.370 nan 0.000 0.465 41 K N -0.601 119.968 120.400 0.282 0.000 2.551 41 K HA 0.459 4.789 4.320 0.015 0.000 0.269 41 K C -1.202 175.415 176.600 0.027 0.000 0.949 41 K CA -0.858 55.560 56.287 0.218 0.000 0.849 41 K CB 1.878 34.454 32.500 0.127 0.000 1.411 41 K HN -0.262 nan 8.250 nan 0.000 0.432 42 Q N 0.877 120.591 119.800 -0.142 0.000 2.337 42 Q HA 0.240 4.589 4.340 0.015 0.000 0.266 42 Q C 0.141 176.057 176.000 -0.140 0.000 1.023 42 Q CA -0.692 55.016 55.803 -0.158 0.000 0.829 42 Q CB 2.331 30.935 28.738 -0.223 0.000 1.306 42 Q HN 0.906 nan 8.270 nan 0.000 0.449 43 T N -1.464 113.034 114.554 -0.093 0.000 3.051 43 T HA 0.181 4.541 4.350 0.015 0.000 0.255 43 T C 0.939 175.604 174.700 -0.058 0.000 1.085 43 T CA 0.410 62.468 62.100 -0.070 0.000 1.109 43 T CB 0.213 69.052 68.868 -0.048 0.000 0.921 43 T HN 0.530 nan 8.240 nan 0.000 0.488 44 M N 1.921 121.493 119.600 -0.045 0.000 3.189 44 M HA 0.405 4.894 4.480 0.015 0.000 0.365 44 M C 0.472 176.804 176.300 0.053 0.000 1.447 44 M CA -0.749 54.551 55.300 0.001 0.000 0.739 44 M CB 1.322 33.931 32.600 0.015 0.000 1.411 44 M HN 0.267 nan 8.290 nan 0.000 0.494 45 G N 1.154 109.946 108.800 -0.013 0.000 2.441 45 G HA2 0.337 4.306 3.960 0.015 0.000 0.243 45 G HA3 0.337 4.306 3.960 0.015 0.000 0.243 45 G C -0.496 174.471 174.900 0.111 0.000 1.281 45 G CA -0.045 45.045 45.100 -0.016 0.000 0.854 45 G HN 0.667 nan 8.290 nan 0.000 0.560 46 H N -0.024 119.057 119.070 0.018 0.000 2.928 46 H HA 0.738 5.303 4.556 0.016 0.000 0.371 46 H C 0.193 175.524 175.328 0.006 0.000 1.186 46 H CA -0.526 55.544 56.048 0.036 0.000 1.134 46 H CB 1.374 31.132 29.762 -0.006 0.000 1.824 46 H HN 0.650 nan 8.280 nan 0.000 0.554 47 G N 0.610 109.510 108.800 0.168 0.000 2.940 47 G HA2 0.371 4.340 3.960 0.015 0.000 0.164 47 G HA3 0.371 4.340 3.960 0.015 0.000 0.164 47 G C -0.433 174.511 174.900 0.074 0.000 1.326 47 G CA -1.203 43.927 45.100 0.051 0.000 1.020 47 G HN 0.521 nan 8.290 nan 0.000 0.586 48 R N 0.042 120.562 120.500 0.032 0.000 2.490 48 R HA 0.397 4.747 4.340 0.015 0.000 0.280 48 R C -0.016 176.307 176.300 0.040 0.000 1.077 48 R CA -0.172 55.943 56.100 0.025 0.000 1.065 48 R CB 0.384 30.680 30.300 -0.006 0.000 1.003 48 R HN 0.453 nan 8.270 nan 0.000 0.470 49 L N 0.942 122.182 121.223 0.028 0.000 3.608 49 L HA -0.297 4.052 4.340 0.015 0.000 0.422 49 L C 0.088 176.960 176.870 0.003 0.000 1.260 49 L CA 0.234 55.080 54.840 0.010 0.000 0.889 49 L CB -1.986 40.079 42.059 0.011 0.000 1.821 49 L HN 0.933 nan 8.230 nan 0.000 0.884 50 N N 0.435 119.134 118.700 -0.002 0.000 2.678 50 N HA -0.203 4.546 4.740 0.015 0.000 0.249 50 N C 0.565 176.092 175.510 0.028 0.000 1.119 50 N CA 1.617 54.645 53.050 -0.036 0.000 0.718 50 N CB -0.197 38.220 38.487 -0.118 0.000 1.060 50 N HN 0.623 nan 8.380 nan 0.000 0.552 51 R N 0.484 121.024 120.500 0.067 0.000 2.694 51 R HA 0.104 4.453 4.340 0.015 0.000 0.268 51 R C 0.650 177.018 176.300 0.112 0.000 1.061 51 R CA -0.085 56.058 56.100 0.072 0.000 1.133 51 R CB 0.533 30.884 30.300 0.084 0.000 1.020 51 R HN 0.222 nan 8.270 nan 0.000 0.475 52 K N 1.886 122.334 120.400 0.081 0.000 2.174 52 K HA 0.082 4.412 4.320 0.015 0.000 0.275 52 K C -1.167 175.506 176.600 0.121 0.000 1.015 52 K CA -0.429 55.908 56.287 0.084 0.000 0.933 52 K CB 0.851 33.357 32.500 0.011 0.000 1.025 52 K HN 0.549 nan 8.250 nan 0.000 0.463 53 W N 5.894 127.140 121.300 -0.089 0.000 2.411 53 W HA 0.203 4.872 4.660 0.015 0.000 0.317 53 W C -0.938 175.436 176.519 -0.241 0.000 1.030 53 W CA -0.639 56.617 57.345 -0.149 0.000 1.239 53 W CB 1.244 30.599 29.460 -0.175 0.000 1.304 53 W HN 0.623 nan 8.180 nan 0.000 0.437 54 E N 3.251 123.044 120.200 -0.678 0.000 2.351 54 E HA 0.054 4.413 4.350 0.015 0.000 0.266 54 E C -0.242 175.883 176.600 -0.792 0.000 1.031 54 E CA 0.396 56.461 56.400 -0.558 0.000 0.911 54 E CB 1.090 30.522 29.700 -0.448 0.000 0.986 54 E HN 0.237 nan 8.360 nan 0.000 0.446 55 S N 4.849 120.140 115.700 -0.681 0.000 2.139 55 S HA 0.247 4.727 4.470 0.015 0.000 0.183 55 S C -2.216 172.104 174.600 -0.466 0.000 1.473 55 S CA -1.061 56.418 58.200 -1.202 0.000 1.263 55 S CB 0.712 63.137 63.200 -1.291 0.000 1.170 55 S HN 0.370 nan 8.310 nan 0.000 0.430 56 P HA 0.248 nan 4.420 nan 0.000 0.276 56 P C -0.392 177.149 177.300 0.401 0.000 1.261 56 P CA -0.467 62.724 63.100 0.152 0.000 0.800 56 P CB 0.789 32.542 31.700 0.087 0.000 1.066 57 E N -0.419 119.929 120.200 0.246 0.000 2.452 57 E HA 0.278 4.638 4.350 0.015 0.000 0.261 57 E C 1.049 177.745 176.600 0.161 0.000 0.987 57 E CA 1.003 57.532 56.400 0.216 0.000 0.926 57 E CB -0.317 29.457 29.700 0.123 0.000 0.934 57 E HN 0.822 nan 8.360 nan 0.000 0.452 58 G N 1.976 110.824 108.800 0.080 0.000 2.253 58 G HA2 -0.175 3.794 3.960 0.015 0.000 0.209 58 G HA3 -0.175 3.794 3.960 0.015 0.000 0.209 58 G C 0.439 175.258 174.900 -0.136 0.000 0.997 58 G CA -0.372 44.725 45.100 -0.006 0.000 0.640 58 G HN 0.812 nan 8.290 nan 0.000 0.496 59 G N -0.654 107.983 108.800 -0.271 0.000 2.521 59 G HA2 0.693 4.663 3.960 0.015 0.000 0.323 59 G HA3 0.693 4.663 3.960 0.015 0.000 0.323 59 G C -0.884 173.215 174.900 -1.334 0.000 1.211 59 G CA -0.652 43.904 45.100 -0.906 0.000 0.979 59 G HN 0.875 nan 8.290 nan 0.000 0.490 60 L N 0.423 120.874 121.223 -1.288 0.000 2.277 60 L HA 0.584 4.934 4.340 0.015 0.000 0.284 60 L C -1.401 175.120 176.870 -0.581 0.000 1.028 60 L CA -1.030 53.371 54.840 -0.732 0.000 0.835 60 L CB 0.397 42.274 42.059 -0.303 0.000 1.215 60 L HN 0.520 nan 8.230 nan 0.000 0.425 61 W N 7.675 129.024 121.300 0.082 0.000 2.362 61 W HA 0.622 5.290 4.660 0.012 0.000 0.316 61 W C -0.893 175.643 176.519 0.028 0.000 1.024 61 W CA -0.997 56.375 57.345 0.045 0.000 1.270 61 W CB 0.989 30.480 29.460 0.051 0.000 1.273 61 W HN 0.371 nan 8.180 nan 0.000 0.424 62 L N 0.560 121.894 121.223 0.184 0.000 2.479 62 L HA 0.936 5.285 4.340 0.015 0.000 0.255 62 L C -0.455 176.442 176.870 0.044 0.000 1.026 62 L CA -1.069 53.846 54.840 0.125 0.000 0.842 62 L CB 1.982 44.140 42.059 0.164 0.000 1.444 62 L HN 0.058 nan 8.230 nan 0.000 0.409 63 S N 0.836 116.562 115.700 0.044 0.000 2.549 63 S HA 0.853 5.332 4.470 0.015 0.000 0.280 63 S C -0.835 173.772 174.600 0.012 0.000 1.109 63 S CA -0.399 57.800 58.200 -0.001 0.000 0.905 63 S CB 1.557 64.757 63.200 -0.001 0.000 1.081 63 S HN 0.584 nan 8.310 nan 0.000 0.477 64 I N 1.892 122.439 120.570 -0.038 0.000 2.436 64 I HA 0.395 4.574 4.170 0.015 0.000 0.289 64 I C -0.734 175.338 176.117 -0.075 0.000 1.010 64 I CA -0.980 60.286 61.300 -0.056 0.000 1.098 64 I CB 1.877 39.804 38.000 -0.121 0.000 1.266 64 I HN 0.257 nan 8.210 nan 0.000 0.434 65 V N 7.296 127.183 119.914 -0.044 0.000 2.488 65 V HA 0.370 4.499 4.120 0.015 0.000 0.277 65 V C 0.128 176.169 176.094 -0.088 0.000 1.046 65 V CA -0.105 62.170 62.300 -0.041 0.000 0.986 65 V CB 0.961 32.788 31.823 0.007 0.000 0.989 65 V HN 0.457 nan 8.190 nan 0.000 0.475 66 L N 3.734 124.900 121.223 -0.095 0.000 2.354 66 L HA 0.615 4.964 4.340 0.015 0.000 0.264 66 L C 0.057 176.938 176.870 0.019 0.000 1.008 66 L CA -0.361 54.413 54.840 -0.110 0.000 0.819 66 L CB 2.311 44.228 42.059 -0.236 0.000 1.339 66 L HN 0.544 nan 8.230 nan 0.000 0.420 67 S N 2.123 117.887 115.700 0.107 0.000 2.300 67 S HA 0.328 4.807 4.470 0.015 0.000 0.172 67 S C -2.515 172.201 174.600 0.193 0.000 1.484 67 S CA -1.032 57.241 58.200 0.122 0.000 1.265 67 S CB 0.328 63.586 63.200 0.096 0.000 1.313 67 S HN 0.353 nan 8.310 nan 0.000 0.387 68 P HA 0.164 nan 4.420 nan 0.000 0.263 68 P C -0.805 176.594 177.300 0.165 0.000 1.195 68 P CA -0.234 63.045 63.100 0.298 0.000 0.762 68 P CB 0.489 32.436 31.700 0.413 0.000 0.799 69 K N 3.723 124.184 120.400 0.101 0.000 2.265 69 K HA 0.315 4.645 4.320 0.015 0.000 0.242 69 K C 0.185 176.789 176.600 0.007 0.000 1.137 69 K CA -0.474 55.842 56.287 0.048 0.000 1.082 69 K CB 0.133 32.649 32.500 0.027 0.000 1.731 69 K HN 0.388 nan 8.250 nan 0.000 0.392 70 V N -1.115 118.813 119.914 0.023 0.000 3.114 70 V HA 0.626 4.755 4.120 0.015 0.000 0.308 70 V C -2.743 173.352 176.094 0.003 0.000 1.168 70 V CA -2.703 59.578 62.300 -0.032 0.000 1.015 70 V CB 1.652 33.420 31.823 -0.091 0.000 1.050 70 V HN 0.171 nan 8.190 nan 0.000 0.433 71 P HA 0.103 nan 4.420 nan 0.000 0.266 71 P C 0.702 178.024 177.300 0.035 0.000 1.193 71 P CA 0.224 63.326 63.100 0.003 0.000 0.770 71 P CB 0.441 32.131 31.700 -0.016 0.000 0.836 72 Q N 2.920 122.746 119.800 0.043 0.000 2.197 72 Q HA -0.262 4.087 4.340 0.015 0.000 0.207 72 Q C 1.549 177.592 176.000 0.070 0.000 0.984 72 Q CA 1.855 57.692 55.803 0.056 0.000 0.869 72 Q CB -0.089 28.676 28.738 0.045 0.000 0.906 72 Q HN 0.470 nan 8.270 nan 0.000 0.426 73 K N -0.887 119.556 120.400 0.072 0.000 2.442 73 K HA -0.111 4.219 4.320 0.015 0.000 0.198 73 K C 0.673 177.336 176.600 0.104 0.000 1.042 73 K CA 1.410 57.759 56.287 0.103 0.000 0.958 73 K CB 0.229 32.802 32.500 0.122 0.000 0.766 73 K HN 0.171 nan 8.250 nan 0.000 0.474 74 D N 1.212 121.668 120.400 0.093 0.000 2.346 74 D HA 0.055 4.704 4.640 0.015 0.000 0.206 74 D C 1.898 178.370 176.300 0.288 0.000 1.001 74 D CA 0.292 54.384 54.000 0.154 0.000 0.871 74 D CB 0.151 40.982 40.800 0.051 0.000 0.943 74 D HN 0.190 nan 8.370 nan 0.000 0.518 75 L N 0.998 122.345 121.223 0.206 0.000 2.129 75 L HA -0.143 4.206 4.340 0.015 0.000 0.212 75 L C -0.551 176.384 176.870 0.108 0.000 1.087 75 L CA 1.255 56.198 54.840 0.172 0.000 0.757 75 L CB -1.686 40.436 42.059 0.105 0.000 0.896 75 L HN -0.008 nan 8.230 nan 0.000 0.434 76 P HA -0.127 nan 4.420 nan 0.000 0.230 76 P C 1.070 178.388 177.300 0.031 0.000 1.158 76 P CA 1.134 64.281 63.100 0.080 0.000 0.769 76 P CB 0.024 31.738 31.700 0.024 0.000 0.807 77 K N -0.989 119.469 120.400 0.097 0.000 2.459 77 K HA 0.077 4.407 4.320 0.015 0.000 0.193 77 K C 1.543 178.050 176.600 -0.154 0.000 1.030 77 K CA 0.279 56.628 56.287 0.103 0.000 1.026 77 K CB -0.171 32.637 32.500 0.513 0.000 0.809 77 K HN 0.094 nan 8.250 nan 0.000 0.504 78 I N 0.925 121.350 120.570 -0.241 0.000 2.264 78 I HA -0.228 3.951 4.170 0.015 0.000 0.248 78 I C 2.276 178.212 176.117 -0.303 0.000 1.111 78 I CA 1.137 62.226 61.300 -0.351 0.000 1.382 78 I CB -0.927 36.933 38.000 -0.233 0.000 1.060 78 I HN -0.011 nan 8.210 nan 0.000 0.418 79 V N 0.962 120.648 119.914 -0.380 0.000 2.407 79 V HA -0.290 3.840 4.120 0.015 0.000 0.248 79 V C 2.434 178.341 176.094 -0.312 0.000 1.055 79 V CA 1.789 63.831 62.300 -0.430 0.000 1.049 79 V CB -0.470 30.944 31.823 -0.680 0.000 0.662 79 V HN 0.159 nan 8.190 nan 0.000 0.455 80 F N -0.020 119.841 119.950 -0.149 0.000 2.234 80 F HA -0.043 4.493 4.527 0.014 0.000 0.299 80 F C 2.115 177.861 175.800 -0.090 0.000 1.087 80 F CA 1.140 59.083 58.000 -0.096 0.000 1.340 80 F CB -1.020 37.972 39.000 -0.014 0.000 1.031 80 F HN 0.142 nan 8.300 nan 0.000 0.500 81 L N -0.402 120.838 121.223 0.028 0.000 2.012 81 L HA -0.155 4.194 4.340 0.015 0.000 0.210 81 L C 2.801 179.650 176.870 -0.036 0.000 1.073 81 L CA 1.544 56.368 54.840 -0.026 0.000 0.748 81 L CB -1.522 40.456 42.059 -0.135 0.000 0.891 81 L HN 0.257 nan 8.230 nan 0.000 0.431 82 G N -0.429 108.322 108.800 -0.083 0.000 2.421 82 G HA2 -0.245 3.724 3.960 0.015 0.000 0.216 82 G HA3 -0.245 3.724 3.960 0.015 0.000 0.216 82 G C 1.785 176.652 174.900 -0.056 0.000 1.171 82 G CA 0.852 45.898 45.100 -0.091 0.000 0.775 82 G HN 0.465 nan 8.290 nan 0.000 0.543 83 A N 0.060 122.861 122.820 -0.032 0.000 1.883 83 A HA 0.034 4.363 4.320 0.015 0.000 0.217 83 A C 2.614 180.209 177.584 0.018 0.000 1.186 83 A CA 2.019 54.056 52.037 -0.001 0.000 0.624 83 A CB -0.700 18.327 19.000 0.045 0.000 0.822 83 A HN 0.286 nan 8.150 nan 0.000 0.444 84 V N -0.134 119.802 119.914 0.037 0.000 2.358 84 V HA -0.142 3.987 4.120 0.015 0.000 0.246 84 V C 2.813 178.916 176.094 0.016 0.000 1.047 84 V CA 1.799 64.118 62.300 0.032 0.000 1.035 84 V CB -1.458 30.392 31.823 0.045 0.000 0.658 84 V HN 0.618 nan 8.190 nan 0.000 0.452 85 G N -0.075 108.727 108.800 0.004 0.000 2.440 85 G HA2 -0.216 3.754 3.960 0.015 0.000 0.218 85 G HA3 -0.216 3.754 3.960 0.015 0.000 0.218 85 G C 1.673 176.567 174.900 -0.011 0.000 1.154 85 G CA 1.292 46.386 45.100 -0.008 0.000 0.767 85 G HN 0.382 nan 8.290 nan 0.000 0.552 86 V N 0.391 120.295 119.914 -0.017 0.000 2.343 86 V HA -0.164 3.965 4.120 0.015 0.000 0.247 86 V C 3.030 179.126 176.094 0.004 0.000 1.051 86 V CA 1.448 63.738 62.300 -0.016 0.000 1.036 86 V CB -0.333 31.478 31.823 -0.021 0.000 0.654 86 V HN 0.251 nan 8.190 nan 0.000 0.451 87 V N 0.025 119.945 119.914 0.011 0.000 2.287 87 V HA -0.289 3.840 4.120 0.015 0.000 0.248 87 V C 2.429 178.541 176.094 0.030 0.000 1.053 87 V CA 2.227 64.539 62.300 0.019 0.000 1.027 87 V CB -0.681 31.153 31.823 0.018 0.000 0.646 87 V HN 0.638 nan 8.190 nan 0.000 0.447 88 E N -0.315 119.902 120.200 0.028 0.000 2.077 88 E HA -0.201 4.158 4.350 0.015 0.000 0.193 88 E C 2.280 178.918 176.600 0.062 0.000 0.989 88 E CA 1.793 58.214 56.400 0.036 0.000 0.800 88 E CB -0.332 29.384 29.700 0.027 0.000 0.746 88 E HN 0.560 nan 8.360 nan 0.000 0.452 89 T N 1.596 116.191 114.554 0.068 0.000 2.746 89 T HA -0.100 4.259 4.350 0.015 0.000 0.267 89 T C 1.958 176.785 174.700 0.212 0.000 1.039 89 T CA 0.738 62.919 62.100 0.134 0.000 1.142 89 T CB -0.160 68.748 68.868 0.066 0.000 0.866 89 T HN 0.079 nan 8.240 nan 0.000 0.444 90 L N 0.426 121.714 121.223 0.108 0.000 2.046 90 L HA -0.123 4.226 4.340 0.015 0.000 0.208 90 L C 2.634 179.594 176.870 0.150 0.000 1.077 90 L CA 1.457 56.362 54.840 0.108 0.000 0.747 90 L CB -0.426 41.660 42.059 0.044 0.000 0.896 90 L HN 0.228 nan 8.230 nan 0.000 0.432 91 K N -0.040 120.421 120.400 0.101 0.000 2.097 91 K HA -0.184 4.145 4.320 0.015 0.000 0.206 91 K C 1.934 178.575 176.600 0.069 0.000 1.049 91 K CA 1.264 57.594 56.287 0.071 0.000 0.933 91 K CB -0.084 32.441 32.500 0.041 0.000 0.717 91 K HN 0.348 nan 8.250 nan 0.000 0.442 92 E N -0.268 119.986 120.200 0.088 0.000 2.204 92 E HA -0.143 4.217 4.350 0.015 0.000 0.195 92 E C 0.834 177.354 176.600 -0.134 0.000 0.990 92 E CA 0.892 57.281 56.400 -0.018 0.000 0.821 92 E CB 0.022 29.712 29.700 -0.017 0.000 0.750 92 E HN 0.239 nan 8.360 nan 0.000 0.477 93 F N 0.032 119.979 119.950 -0.007 0.000 2.660 93 F HA 0.178 4.712 4.527 0.011 0.000 0.302 93 F C 0.573 176.371 175.800 -0.004 0.000 1.103 93 F CA -0.078 57.919 58.000 -0.005 0.000 1.340 93 F CB 0.466 39.463 39.000 -0.006 0.000 1.048 93 F HN -0.283 nan 8.300 nan 0.000 0.551 94 S N 0.950 116.715 115.700 0.108 0.000 3.698 94 S HA -0.200 4.279 4.470 0.015 0.000 0.338 94 S C -0.012 174.631 174.600 0.073 0.000 1.089 94 S CA 0.257 58.496 58.200 0.065 0.000 0.991 94 S CB -2.021 61.202 63.200 0.039 0.000 0.909 94 S HN 0.320 nan 8.310 nan 0.000 0.485 95 I N 1.176 121.798 120.570 0.087 0.000 2.406 95 I HA 0.277 4.456 4.170 0.015 0.000 0.290 95 I C 0.070 176.212 176.117 0.041 0.000 0.999 95 I CA -0.661 60.675 61.300 0.060 0.000 1.124 95 I CB 1.612 39.648 38.000 0.061 0.000 1.289 95 I HN -0.043 nan 8.210 nan 0.000 0.441 96 D N 5.882 126.296 120.400 0.023 0.000 2.551 96 D HA 0.207 4.856 4.640 0.015 0.000 0.223 96 D C 0.384 176.682 176.300 -0.004 0.000 1.144 96 D CA 0.013 54.019 54.000 0.009 0.000 1.025 96 D CB 0.352 41.153 40.800 0.001 0.000 1.085 96 D HN 0.633 nan 8.370 nan 0.000 0.506 97 G N 2.964 111.766 108.800 0.003 0.000 2.390 97 G HA2 0.426 4.395 3.960 0.015 0.000 0.270 97 G HA3 0.426 4.395 3.960 0.015 0.000 0.270 97 G C -0.080 174.810 174.900 -0.016 0.000 1.211 97 G CA -0.665 44.433 45.100 -0.004 0.000 0.842 97 G HN 0.333 nan 8.290 nan 0.000 0.519 98 R N 1.566 122.044 120.500 -0.036 0.000 2.686 98 R HA 0.321 4.670 4.340 0.015 0.000 0.283 98 R C -0.630 175.663 176.300 -0.011 0.000 0.978 98 R CA -0.876 55.198 56.100 -0.044 0.000 0.897 98 R CB 2.467 32.699 30.300 -0.114 0.000 1.192 98 R HN 0.449 nan 8.270 nan 0.000 0.457 99 I N 2.355 122.941 120.570 0.027 0.000 2.416 99 I HA 0.132 4.312 4.170 0.015 0.000 0.288 99 I C 0.668 176.874 176.117 0.148 0.000 1.051 99 I CA -0.004 61.342 61.300 0.077 0.000 1.375 99 I CB 0.661 38.713 38.000 0.086 0.000 1.407 99 I HN 0.234 nan 8.210 nan 0.000 0.516 100 K N 7.649 128.156 120.400 0.179 0.000 2.292 100 K HA 0.114 4.443 4.320 0.015 0.000 0.270 100 K C -0.641 176.099 176.600 0.235 0.000 1.062 100 K CA -0.664 55.794 56.287 0.285 0.000 0.916 100 K CB 0.605 33.288 32.500 0.304 0.000 1.166 100 K HN 0.531 nan 8.250 nan 0.000 0.458 101 W N 7.944 129.296 121.300 0.087 0.000 2.484 101 W HA -0.055 4.613 4.660 0.014 0.000 0.337 101 W C -1.824 174.708 176.519 0.022 0.000 1.214 101 W CA -0.712 56.681 57.345 0.081 0.000 1.296 101 W CB 0.883 30.399 29.460 0.094 0.000 1.174 101 W HN 0.545 nan 8.180 nan 0.000 0.564 102 P HA 0.026 nan 4.420 nan 0.000 0.289 102 P C 0.092 177.116 177.300 -0.461 0.000 1.303 102 P CA 0.576 63.149 63.100 -0.877 0.000 0.946 102 P CB 0.635 31.202 31.700 -1.887 0.000 1.454 103 N N -0.907 117.572 118.700 -0.368 0.000 2.143 103 N HA 0.074 4.824 4.740 0.015 0.000 0.222 103 N C -0.548 174.876 175.510 -0.143 0.000 1.264 103 N CA -0.044 52.831 53.050 -0.291 0.000 0.897 103 N CB 0.200 38.464 38.487 -0.371 0.000 1.092 103 N HN -0.103 nan 8.380 nan 0.000 0.516 104 D N 0.767 121.134 120.400 -0.056 0.000 2.228 104 D HA 0.403 5.052 4.640 0.015 0.000 0.247 104 D C -0.531 175.799 176.300 0.050 0.000 0.995 104 D CA -0.431 53.579 54.000 0.016 0.000 0.903 104 D CB 3.188 44.032 40.800 0.073 0.000 1.205 104 D HN -0.208 nan 8.370 nan 0.000 0.459 105 V N 2.202 122.153 119.914 0.061 0.000 2.487 105 V HA 0.427 4.556 4.120 0.015 0.000 0.298 105 V C 0.015 176.147 176.094 0.063 0.000 1.028 105 V CA -0.682 61.649 62.300 0.052 0.000 0.860 105 V CB 1.524 33.368 31.823 0.036 0.000 0.991 105 V HN 0.306 nan 8.190 nan 0.000 0.427 106 L N 4.592 125.831 121.223 0.026 0.000 2.319 106 L HA 0.801 5.150 4.340 0.015 0.000 0.267 106 L C -0.910 175.938 176.870 -0.037 0.000 1.011 106 L CA -1.095 53.748 54.840 0.005 0.000 0.818 106 L CB 2.349 44.384 42.059 -0.039 0.000 1.316 106 L HN 0.306 nan 8.230 nan 0.000 0.432 107 V N 1.487 121.391 119.914 -0.017 0.000 2.447 107 V HA 0.305 4.434 4.120 0.015 0.000 0.292 107 V C -0.344 175.749 176.094 -0.002 0.000 1.021 107 V CA -0.685 61.605 62.300 -0.017 0.000 0.850 107 V CB 1.263 33.092 31.823 0.010 0.000 1.005 107 V HN 0.878 nan 8.190 nan 0.000 0.426 108 N N 4.365 123.052 118.700 -0.021 0.000 2.740 108 N HA -0.255 4.494 4.740 0.015 0.000 0.248 108 N C 0.151 175.760 175.510 0.165 0.000 1.062 108 N CA 1.169 54.257 53.050 0.064 0.000 0.704 108 N CB -1.232 37.295 38.487 0.068 0.000 0.968 108 N HN 0.965 nan 8.380 nan 0.000 0.547 109 Y N -3.123 117.157 120.300 -0.034 0.000 4.798 109 Y HA -0.331 4.224 4.550 0.008 0.000 0.237 109 Y C 0.545 176.466 175.900 0.035 0.000 1.017 109 Y CA 1.459 59.543 58.100 -0.028 0.000 2.010 109 Y CB -1.356 37.058 38.460 -0.076 0.000 1.582 109 Y HN 0.251 nan 8.280 nan 0.000 0.621 110 K N 0.499 120.973 120.400 0.123 0.000 2.206 110 K HA 0.560 4.889 4.320 0.015 0.000 0.264 110 K C 0.668 177.323 176.600 0.092 0.000 0.967 110 K CA -0.144 56.207 56.287 0.106 0.000 0.844 110 K CB 1.418 33.964 32.500 0.077 0.000 1.099 110 K HN 0.197 nan 8.250 nan 0.000 0.441 111 G N 2.359 111.224 108.800 0.108 0.000 2.299 111 G HA2 0.070 4.039 3.960 0.015 0.000 0.256 111 G HA3 0.070 4.039 3.960 0.015 0.000 0.256 111 G C 0.383 175.358 174.900 0.125 0.000 1.259 111 G CA -0.049 45.129 45.100 0.130 0.000 0.943 111 G HN 0.791 nan 8.290 nan 0.000 0.479 112 I N 1.465 122.118 120.570 0.139 0.000 4.323 112 I HA 0.531 4.710 4.170 0.015 0.000 0.328 112 I C 0.912 177.157 176.117 0.214 0.000 1.310 112 I CA 0.256 61.636 61.300 0.134 0.000 1.186 112 I CB 0.313 38.357 38.000 0.073 0.000 1.130 112 I HN 0.576 nan 8.210 nan 0.000 0.411 113 A N -0.408 122.563 122.820 0.251 0.000 2.612 113 A HA 0.753 5.083 4.320 0.015 0.000 0.293 113 A C -0.831 176.848 177.584 0.158 0.000 1.075 113 A CA -0.106 52.084 52.037 0.255 0.000 0.680 113 A CB 1.024 20.084 19.000 0.100 0.000 1.279 113 A HN 0.163 nan 8.150 nan 0.000 0.411 114 G N -0.617 108.109 108.800 -0.124 0.000 2.667 114 G HA2 0.644 4.613 3.960 0.015 0.000 0.298 114 G HA3 0.644 4.613 3.960 0.015 0.000 0.298 114 G C -1.633 173.019 174.900 -0.413 0.000 1.377 114 G CA -0.500 44.391 45.100 -0.349 0.000 0.964 114 G HN 1.225 nan 8.290 nan 0.000 0.493 115 V N 1.348 121.071 119.914 -0.318 0.000 2.540 115 V HA 0.675 4.804 4.120 0.015 0.000 0.302 115 V C -0.814 175.099 176.094 -0.301 0.000 1.035 115 V CA -0.802 61.323 62.300 -0.292 0.000 0.873 115 V CB 1.598 33.281 31.823 -0.232 0.000 0.992 115 V HN 0.714 nan 8.190 nan 0.000 0.428 116 L N 6.126 127.180 121.223 -0.282 0.000 2.406 116 L HA 0.718 5.068 4.340 0.015 0.000 0.270 116 L C -0.853 175.907 176.870 -0.183 0.000 0.982 116 L CA -0.046 54.654 54.840 -0.232 0.000 0.843 116 L CB 1.833 43.744 42.059 -0.247 0.000 1.225 116 L HN 0.440 nan 8.230 nan 0.000 0.412 117 V N 4.533 124.354 119.914 -0.154 0.000 2.435 117 V HA 0.564 4.694 4.120 0.015 0.000 0.290 117 V C -0.339 175.715 176.094 -0.067 0.000 1.030 117 V CA -0.546 61.684 62.300 -0.117 0.000 0.881 117 V CB 1.653 33.401 31.823 -0.125 0.000 0.983 117 V HN 0.756 nan 8.190 nan 0.000 0.445 118 E N 2.720 122.888 120.200 -0.054 0.000 2.224 118 E HA 0.665 5.025 4.350 0.015 0.000 0.265 118 E C -0.222 176.363 176.600 -0.026 0.000 0.878 118 E CA -0.550 55.834 56.400 -0.028 0.000 0.759 118 E CB 2.530 32.222 29.700 -0.014 0.000 1.164 118 E HN 0.828 nan 8.360 nan 0.000 0.414 119 G N 1.890 110.680 108.800 -0.016 0.000 2.524 119 G HA2 0.552 4.522 3.960 0.015 0.000 0.310 119 G HA3 0.552 4.522 3.960 0.015 0.000 0.310 119 G C -0.835 174.061 174.900 -0.007 0.000 1.279 119 G CA -0.823 44.272 45.100 -0.010 0.000 0.974 119 G HN 0.428 nan 8.290 nan 0.000 0.484 120 K N 2.019 122.417 120.400 -0.004 0.000 2.992 120 K HA 0.573 4.902 4.320 0.015 0.000 0.178 120 K C 0.696 177.300 176.600 0.008 0.000 1.122 120 K CA -0.357 55.928 56.287 -0.003 0.000 0.926 120 K CB 1.068 33.560 32.500 -0.013 0.000 1.121 120 K HN 1.408 nan 8.250 nan 0.000 0.610 121 G N 3.644 112.453 108.800 0.014 0.000 2.609 121 G HA2 -0.463 3.507 3.960 0.015 0.000 0.288 121 G HA3 -0.463 3.507 3.960 0.015 0.000 0.288 121 G C 0.527 175.446 174.900 0.031 0.000 1.211 121 G CA 0.744 45.858 45.100 0.022 0.000 0.963 121 G HN 0.750 nan 8.290 nan 0.000 0.541 122 D N 1.012 121.433 120.400 0.034 0.000 2.349 122 D HA 0.235 4.884 4.640 0.015 0.000 0.224 122 D C 0.875 177.202 176.300 0.045 0.000 1.029 122 D CA 1.344 55.370 54.000 0.044 0.000 0.879 122 D CB 0.210 41.037 40.800 0.044 0.000 0.906 122 D HN 0.582 nan 8.370 nan 0.000 0.528 123 K N 0.790 121.209 120.400 0.031 0.000 2.413 123 K HA 0.346 4.675 4.320 0.015 0.000 0.257 123 K C -1.407 175.197 176.600 0.007 0.000 0.946 123 K CA -0.811 55.488 56.287 0.020 0.000 0.823 123 K CB 0.944 33.450 32.500 0.010 0.000 1.109 123 K HN -0.059 nan 8.250 nan 0.000 0.427 124 I N 4.424 124.995 120.570 0.001 0.000 2.474 124 I HA 0.335 4.515 4.170 0.015 0.000 0.294 124 I C -0.496 175.593 176.117 -0.046 0.000 1.005 124 I CA -1.036 60.253 61.300 -0.019 0.000 1.113 124 I CB 1.783 39.776 38.000 -0.011 0.000 1.289 124 I HN 0.319 nan 8.210 nan 0.000 0.436 125 V N 6.432 126.313 119.914 -0.054 0.000 2.378 125 V HA 0.336 4.465 4.120 0.015 0.000 0.288 125 V C -0.344 175.694 176.094 -0.092 0.000 1.016 125 V CA -0.728 61.533 62.300 -0.065 0.000 0.840 125 V CB 2.120 33.913 31.823 -0.049 0.000 0.994 125 V HN 0.460 nan 8.190 nan 0.000 0.431 126 L N 5.708 126.863 121.223 -0.114 0.000 2.264 126 L HA 0.823 5.173 4.340 0.015 0.000 0.287 126 L C 0.480 177.272 176.870 -0.130 0.000 1.039 126 L CA 0.185 54.941 54.840 -0.140 0.000 0.829 126 L CB 0.732 42.690 42.059 -0.169 0.000 1.211 126 L HN 0.651 nan 8.230 nan 0.000 0.427 127 G N 6.194 114.903 108.800 -0.151 0.000 2.356 127 G HA2 0.655 4.625 3.960 0.015 0.000 0.322 127 G HA3 0.655 4.625 3.960 0.015 0.000 0.322 127 G C -0.911 173.872 174.900 -0.194 0.000 1.125 127 G CA -0.456 44.546 45.100 -0.162 0.000 0.885 127 G HN 0.595 nan 8.290 nan 0.000 0.467 128 I N 1.398 121.877 120.570 -0.152 0.000 2.534 128 I HA 0.485 4.664 4.170 0.015 0.000 0.288 128 I C 0.246 176.314 176.117 -0.082 0.000 1.077 128 I CA -0.878 60.331 61.300 -0.152 0.000 1.051 128 I CB 2.645 40.584 38.000 -0.101 0.000 1.234 128 I HN 0.588 nan 8.210 nan 0.000 0.425 129 G N 6.169 114.880 108.800 -0.148 0.000 2.487 129 G HA2 0.663 4.632 3.960 0.015 0.000 0.314 129 G HA3 0.663 4.632 3.960 0.015 0.000 0.314 129 G C -1.673 173.424 174.900 0.328 0.000 1.267 129 G CA -0.368 44.858 45.100 0.212 0.000 0.937 129 G HN 0.383 nan 8.290 nan 0.000 0.481 130 L N 2.143 123.517 121.223 0.252 0.000 2.409 130 L HA 0.523 4.873 4.340 0.015 0.000 0.272 130 L C -0.993 175.863 176.870 -0.024 0.000 0.980 130 L CA -1.052 53.856 54.840 0.112 0.000 0.826 130 L CB 1.829 43.864 42.059 -0.041 0.000 1.268 130 L HN 0.359 nan 8.230 nan 0.000 0.407 131 N N 4.032 122.805 118.700 0.122 0.000 2.420 131 N HA 0.257 5.006 4.740 0.015 0.000 0.262 131 N C 0.346 175.819 175.510 -0.062 0.000 1.144 131 N CA -0.054 53.031 53.050 0.057 0.000 0.952 131 N CB 1.968 40.532 38.487 0.128 0.000 1.081 131 N HN 0.565 nan 8.380 nan 0.000 0.480 132 V N 2.360 122.193 119.914 -0.136 0.000 3.204 132 V HA 0.107 4.236 4.120 0.015 0.000 0.218 132 V C 1.209 177.251 176.094 -0.087 0.000 1.159 132 V CA 0.429 62.643 62.300 -0.144 0.000 1.282 132 V CB 0.015 31.713 31.823 -0.208 0.000 1.225 132 V HN 0.573 nan 8.190 nan 0.000 0.509 133 N N 1.069 119.723 118.700 -0.077 0.000 2.184 133 N HA 0.103 4.852 4.740 0.015 0.000 0.206 133 N C 0.102 175.611 175.510 -0.001 0.000 1.151 133 N CA -0.073 52.956 53.050 -0.035 0.000 0.878 133 N CB 0.150 38.617 38.487 -0.035 0.000 1.014 133 N HN 0.650 nan 8.380 nan 0.000 0.512 134 N N 1.089 119.802 118.700 0.021 0.000 2.424 134 N HA 0.078 4.827 4.740 0.015 0.000 0.257 134 N C -0.137 175.408 175.510 0.059 0.000 1.250 134 N CA 0.049 53.144 53.050 0.076 0.000 0.946 134 N CB 1.399 40.002 38.487 0.193 0.000 1.175 134 N HN -0.139 nan 8.380 nan 0.000 0.477 135 K N -0.102 120.328 120.400 0.051 0.000 2.237 135 K HA 0.280 4.610 4.320 0.015 0.000 0.270 135 K C 0.036 176.644 176.600 0.013 0.000 1.015 135 K CA -0.627 55.673 56.287 0.022 0.000 0.949 135 K CB 1.019 33.525 32.500 0.009 0.000 0.976 135 K HN 0.562 nan 8.250 nan 0.000 0.472 136 V N -0.561 119.347 119.914 -0.011 0.000 3.074 136 V HA 0.559 4.688 4.120 0.015 0.000 0.314 136 V C -2.600 173.453 176.094 -0.069 0.000 1.117 136 V CA -2.408 59.864 62.300 -0.046 0.000 1.014 136 V CB 1.146 32.952 31.823 -0.029 0.000 1.057 136 V HN 0.593 nan 8.190 nan 0.000 0.438 137 P HA 0.285 nan 4.420 nan 0.000 0.270 137 P C -0.742 176.523 177.300 -0.058 0.000 1.223 137 P CA -0.190 62.850 63.100 -0.099 0.000 0.785 137 P CB 0.118 31.731 31.700 -0.145 0.000 0.923 138 N N 0.735 119.411 118.700 -0.041 0.000 2.458 138 N HA 0.279 5.029 4.740 0.015 0.000 0.258 138 N C 1.505 177.008 175.510 -0.012 0.000 1.219 138 N CA 1.514 54.552 53.050 -0.021 0.000 0.902 138 N CB 0.020 38.498 38.487 -0.015 0.000 1.076 138 N HN 0.743 nan 8.380 nan 0.000 0.455 139 G N -0.411 108.391 108.800 0.003 0.000 2.317 139 G HA2 -0.213 3.756 3.960 0.015 0.000 0.227 139 G HA3 -0.213 3.756 3.960 0.015 0.000 0.227 139 G C 0.327 175.244 174.900 0.028 0.000 1.042 139 G CA 0.268 45.380 45.100 0.021 0.000 0.623 139 G HN 0.913 nan 8.290 nan 0.000 0.509 140 A N -0.622 122.201 122.820 0.005 0.000 2.249 140 A HA 0.887 5.217 4.320 0.015 0.000 0.281 140 A C 0.518 178.113 177.584 0.018 0.000 1.127 140 A CA 1.286 53.329 52.037 0.010 0.000 0.833 140 A CB 1.052 20.029 19.000 -0.039 0.000 1.140 140 A HN 1.473 nan 8.150 nan 0.000 0.502 141 T N -1.840 112.732 114.554 0.030 0.000 2.754 141 T HA 0.663 5.023 4.350 0.015 0.000 0.296 141 T C -0.680 174.040 174.700 0.032 0.000 1.205 141 T CA 0.200 62.317 62.100 0.028 0.000 1.009 141 T CB 1.148 70.036 68.868 0.033 0.000 1.368 141 T HN 1.879 nan 8.240 nan 0.000 0.509 142 S N 0.332 116.045 115.700 0.022 0.000 2.638 142 S HA 0.476 4.956 4.470 0.015 0.000 0.274 142 S C 1.183 175.780 174.600 -0.005 0.000 1.157 142 S CA -0.871 57.336 58.200 0.012 0.000 0.826 142 S CB 1.167 64.372 63.200 0.008 0.000 1.139 142 S HN 0.732 nan 8.310 nan 0.000 0.474 143 M N 1.181 120.761 119.600 -0.034 0.000 2.117 143 M HA -0.074 4.416 4.480 0.015 0.000 0.262 143 M C 2.319 178.604 176.300 -0.025 0.000 1.065 143 M CA 1.854 57.125 55.300 -0.049 0.000 1.114 143 M CB -0.597 31.926 32.600 -0.130 0.000 1.361 143 M HN 0.881 nan 8.290 nan 0.000 0.408 144 K N 1.142 121.526 120.400 -0.027 0.000 2.032 144 K HA -0.154 4.176 4.320 0.015 0.000 0.209 144 K C 1.796 178.397 176.600 0.003 0.000 1.048 144 K CA 1.343 57.624 56.287 -0.010 0.000 0.927 144 K CB -0.160 32.333 32.500 -0.012 0.000 0.712 144 K HN 0.293 nan 8.250 nan 0.000 0.441 145 L N 0.850 122.075 121.223 0.004 0.000 2.083 145 L HA -0.163 4.186 4.340 0.015 0.000 0.209 145 L C 2.495 179.373 176.870 0.013 0.000 1.083 145 L CA 0.990 55.836 54.840 0.009 0.000 0.752 145 L CB -0.308 41.757 42.059 0.011 0.000 0.899 145 L HN 0.237 nan 8.230 nan 0.000 0.433 146 E N 0.114 120.322 120.200 0.014 0.000 2.072 146 E HA -0.107 4.253 4.350 0.015 0.000 0.190 146 E C 2.273 178.887 176.600 0.024 0.000 0.982 146 E CA 1.095 57.507 56.400 0.019 0.000 0.803 146 E CB -0.093 29.619 29.700 0.020 0.000 0.755 146 E HN 0.482 nan 8.360 nan 0.000 0.453 147 L N -0.620 120.619 121.223 0.027 0.000 2.446 147 L HA 0.128 4.477 4.340 0.015 0.000 0.219 147 L C 1.405 178.292 176.870 0.028 0.000 1.116 147 L CA 0.541 55.402 54.840 0.036 0.000 0.844 147 L CB -0.111 41.980 42.059 0.053 0.000 0.970 147 L HN 0.249 nan 8.230 nan 0.000 0.457 148 G N 0.633 109.445 108.800 0.021 0.000 2.143 148 G HA2 -0.271 3.698 3.960 0.015 0.000 0.249 148 G HA3 -0.271 3.698 3.960 0.015 0.000 0.249 148 G C 0.177 175.088 174.900 0.017 0.000 0.981 148 G CA 0.331 45.441 45.100 0.017 0.000 0.665 148 G HN 0.512 nan 8.290 nan 0.000 0.528 149 S N -1.657 114.055 115.700 0.019 0.000 2.565 149 S HA 0.639 5.118 4.470 0.015 0.000 0.269 149 S C -0.711 173.898 174.600 0.016 0.000 1.153 149 S CA -0.247 57.964 58.200 0.019 0.000 0.835 149 S CB 2.192 65.406 63.200 0.024 0.000 1.122 149 S HN 0.666 nan 8.310 nan 0.000 0.462 150 E N 0.344 120.551 120.200 0.012 0.000 2.415 150 E HA 0.449 4.808 4.350 0.015 0.000 0.262 150 E C -1.064 175.543 176.600 0.013 0.000 1.038 150 E CA -0.302 56.100 56.400 0.005 0.000 0.921 150 E CB 0.627 30.329 29.700 0.003 0.000 0.950 150 E HN 0.523 nan 8.360 nan 0.000 0.438 151 V N 6.071 125.981 119.914 -0.006 0.000 2.448 151 V HA 0.304 4.433 4.120 0.015 0.000 0.295 151 V C -2.264 173.824 176.094 -0.010 0.000 1.025 151 V CA -2.078 60.224 62.300 0.005 0.000 0.859 151 V CB 1.574 33.354 31.823 -0.072 0.000 0.988 151 V HN 0.770 nan 8.190 nan 0.000 0.431 152 P HA 0.021 nan 4.420 nan 0.000 0.260 152 P C 0.685 177.984 177.300 -0.002 0.000 1.207 152 P CA 0.006 63.122 63.100 0.028 0.000 0.780 152 P CB 0.503 32.245 31.700 0.069 0.000 0.789 153 L N 5.370 126.570 121.223 -0.039 0.000 2.043 153 L HA -0.184 4.165 4.340 0.015 0.000 0.212 153 L C 1.784 178.647 176.870 -0.012 0.000 1.075 153 L CA 1.867 56.667 54.840 -0.066 0.000 0.752 153 L CB -1.208 40.798 42.059 -0.088 0.000 0.891 153 L HN 0.282 nan 8.230 nan 0.000 0.432 154 L N -1.371 119.852 121.223 -0.000 0.000 2.131 154 L HA -0.143 4.207 4.340 0.015 0.000 0.210 154 L C 2.429 179.383 176.870 0.141 0.000 1.092 154 L CA 1.844 56.712 54.840 0.046 0.000 0.759 154 L CB -0.763 41.290 42.059 -0.011 0.000 0.903 154 L HN 0.265 nan 8.230 nan 0.000 0.435 155 S N -1.236 114.541 115.700 0.128 0.000 2.383 155 S HA -0.126 4.354 4.470 0.015 0.000 0.227 155 S C 1.945 176.695 174.600 0.251 0.000 1.026 155 S CA 1.321 59.645 58.200 0.206 0.000 0.981 155 S CB -0.342 63.022 63.200 0.274 0.000 0.818 155 S HN 0.354 nan 8.310 nan 0.000 0.472 156 V N 1.343 121.320 119.914 0.106 0.000 2.358 156 V HA -0.145 3.984 4.120 0.015 0.000 0.246 156 V C 1.855 177.973 176.094 0.040 0.000 1.047 156 V CA 1.703 63.969 62.300 -0.056 0.000 1.035 156 V CB -0.773 30.881 31.823 -0.282 0.000 0.658 156 V HN 0.499 nan 8.190 nan 0.000 0.452 157 F N 1.498 121.418 119.950 -0.050 0.000 2.069 157 F HA -0.205 4.330 4.527 0.013 0.000 0.298 157 F C 2.619 178.419 175.800 -0.000 0.000 1.113 157 F CA 1.874 59.852 58.000 -0.037 0.000 1.214 157 F CB -0.284 38.692 39.000 -0.040 0.000 0.978 157 F HN -0.049 nan 8.300 nan 0.000 0.474 158 R N -0.372 120.199 120.500 0.118 0.000 2.091 158 R HA -0.173 4.177 4.340 0.015 0.000 0.238 158 R C 2.626 178.899 176.300 -0.046 0.000 1.136 158 R CA 1.482 57.594 56.100 0.021 0.000 0.959 158 R CB -0.912 29.461 30.300 0.121 0.000 0.856 158 R HN 0.361 nan 8.270 nan 0.000 0.437 159 S N 0.938 116.659 115.700 0.035 0.000 2.348 159 S HA -0.138 4.341 4.470 0.015 0.000 0.221 159 S C 1.919 176.505 174.600 -0.024 0.000 1.033 159 S CA 1.137 59.371 58.200 0.056 0.000 1.010 159 S CB -0.211 63.124 63.200 0.226 0.000 0.891 159 S HN 0.228 nan 8.310 nan 0.000 0.442 160 L N 1.761 122.938 121.223 -0.076 0.000 2.012 160 L HA -0.015 4.334 4.340 0.015 0.000 0.210 160 L C 2.100 178.861 176.870 -0.182 0.000 1.073 160 L CA 1.686 56.454 54.840 -0.121 0.000 0.748 160 L CB -0.712 41.258 42.059 -0.147 0.000 0.891 160 L HN 0.340 nan 8.230 nan 0.000 0.431 161 I N -0.728 119.648 120.570 -0.323 0.000 2.226 161 I HA -0.260 3.919 4.170 0.015 0.000 0.245 161 I C 2.386 178.408 176.117 -0.159 0.000 1.100 161 I CA 1.615 62.722 61.300 -0.322 0.000 1.374 161 I CB -1.911 35.767 38.000 -0.537 0.000 1.057 161 I HN 0.287 nan 8.210 nan 0.000 0.413 162 T N 1.499 115.982 114.554 -0.117 0.000 2.746 162 T HA -0.133 4.227 4.350 0.015 0.000 0.267 162 T C 1.762 176.445 174.700 -0.028 0.000 1.039 162 T CA 1.376 63.446 62.100 -0.051 0.000 1.142 162 T CB -0.193 68.658 68.868 -0.028 0.000 0.866 162 T HN 0.286 nan 8.240 nan 0.000 0.444 163 N N 1.220 119.901 118.700 -0.031 0.000 2.142 163 N HA 0.040 4.790 4.740 0.015 0.000 0.186 163 N C 1.934 177.442 175.510 -0.003 0.000 1.023 163 N CA 0.856 53.901 53.050 -0.010 0.000 0.852 163 N CB -0.510 37.973 38.487 -0.007 0.000 0.998 163 N HN 0.342 nan 8.380 nan 0.000 0.424 164 L N 0.668 121.873 121.223 -0.031 0.000 2.046 164 L HA -0.179 4.170 4.340 0.015 0.000 0.208 164 L C 2.088 178.980 176.870 0.037 0.000 1.077 164 L CA 1.207 56.035 54.840 -0.019 0.000 0.747 164 L CB -0.466 41.547 42.059 -0.077 0.000 0.896 164 L HN 0.094 nan 8.230 nan 0.000 0.432 165 D N 0.105 120.520 120.400 0.024 0.000 2.104 165 D HA -0.239 4.410 4.640 0.015 0.000 0.194 165 D C 2.333 178.699 176.300 0.110 0.000 0.994 165 D CA 1.296 55.343 54.000 0.079 0.000 0.830 165 D CB 0.060 40.884 40.800 0.040 0.000 0.959 165 D HN 0.048 nan 8.370 nan 0.000 0.452 166 R N -0.274 120.266 120.500 0.066 0.000 2.073 166 R HA -0.086 4.263 4.340 0.015 0.000 0.234 166 R C 2.491 178.839 176.300 0.080 0.000 1.134 166 R CA 1.086 57.222 56.100 0.060 0.000 0.952 166 R CB -0.360 29.962 30.300 0.037 0.000 0.850 166 R HN 0.261 nan 8.270 nan 0.000 0.433 167 L N -0.344 120.932 121.223 0.089 0.000 2.046 167 L HA -0.218 4.132 4.340 0.015 0.000 0.208 167 L C 2.464 179.439 176.870 0.175 0.000 1.077 167 L CA 1.340 56.246 54.840 0.110 0.000 0.747 167 L CB -0.636 41.474 42.059 0.084 0.000 0.896 167 L HN 0.273 nan 8.230 nan 0.000 0.432 168 Y N 0.605 120.932 120.300 0.045 0.000 2.145 168 Y HA -0.220 4.339 4.550 0.015 0.000 0.286 168 Y C 2.324 178.307 175.900 0.139 0.000 1.145 168 Y CA 1.354 59.499 58.100 0.075 0.000 1.148 168 Y CB -0.288 38.185 38.460 0.022 0.000 0.981 168 Y HN -0.010 nan 8.280 nan 0.000 0.507 169 L N 0.073 121.310 121.223 0.023 0.000 2.079 169 L HA -0.265 4.084 4.340 0.015 0.000 0.210 169 L C 2.246 179.082 176.870 -0.056 0.000 1.081 169 L CA 1.892 56.692 54.840 -0.066 0.000 0.752 169 L CB -0.652 41.415 42.059 0.013 0.000 0.896 169 L HN 0.264 nan 8.230 nan 0.000 0.433 170 N N 0.031 118.741 118.700 0.015 0.000 2.270 170 N HA -0.219 4.530 4.740 0.015 0.000 0.181 170 N C 1.737 177.264 175.510 0.029 0.000 1.016 170 N CA 0.892 53.954 53.050 0.020 0.000 0.870 170 N CB -0.168 38.348 38.487 0.048 0.000 0.979 170 N HN 0.255 nan 8.380 nan 0.000 0.431 171 F N 0.812 120.710 119.950 -0.086 0.000 2.171 171 F HA -0.017 4.520 4.527 0.016 0.000 0.300 171 F C 1.697 177.418 175.800 -0.132 0.000 1.090 171 F CA 1.083 59.038 58.000 -0.074 0.000 1.293 171 F CB -0.062 38.923 39.000 -0.025 0.000 1.013 171 F HN 0.040 nan 8.300 nan 0.000 0.486 172 L N 0.015 121.134 121.223 -0.174 0.000 2.131 172 L HA -0.201 4.148 4.340 0.015 0.000 0.210 172 L C 2.263 178.999 176.870 -0.222 0.000 1.092 172 L CA 1.440 56.127 54.840 -0.254 0.000 0.759 172 L CB -0.578 41.322 42.059 -0.265 0.000 0.903 172 L HN 0.133 nan 8.230 nan 0.000 0.435 173 K N -0.321 119.978 120.400 -0.168 0.000 2.128 173 K HA 0.062 4.391 4.320 0.015 0.000 0.202 173 K C 0.227 176.740 176.600 -0.146 0.000 1.050 173 K CA 0.622 56.832 56.287 -0.129 0.000 0.966 173 K CB 0.253 32.705 32.500 -0.081 0.000 0.759 173 K HN 0.243 nan 8.250 nan 0.000 0.454 174 N N 0.952 119.556 118.700 -0.160 0.000 2.727 174 N HA 0.153 4.902 4.740 0.015 0.000 0.252 174 N C -2.589 172.793 175.510 -0.213 0.000 1.283 174 N CA -1.072 51.887 53.050 -0.152 0.000 0.782 174 N CB 1.648 40.088 38.487 -0.078 0.000 1.199 174 N HN -0.152 nan 8.380 nan 0.000 0.520 175 P HA -0.058 nan 4.420 nan 0.000 0.220 175 P C 1.346 178.560 177.300 -0.143 0.000 1.144 175 P CA 1.203 63.938 63.100 -0.609 0.000 0.800 175 P CB 0.371 31.669 31.700 -0.670 0.000 0.772 176 M N -1.902 117.643 119.600 -0.093 0.000 2.447 176 M HA -0.061 4.428 4.480 0.015 0.000 0.264 176 M C 1.164 177.482 176.300 0.030 0.000 1.095 176 M CA 1.117 56.407 55.300 -0.017 0.000 1.125 176 M CB -0.576 31.993 32.600 -0.051 0.000 1.389 176 M HN -0.133 nan 8.290 nan 0.000 0.459 177 D N 1.273 121.689 120.400 0.028 0.000 2.158 177 D HA -0.184 4.466 4.640 0.015 0.000 0.197 177 D C 1.641 177.986 176.300 0.076 0.000 0.995 177 D CA 1.125 55.151 54.000 0.043 0.000 0.846 177 D CB -0.253 40.570 40.800 0.039 0.000 0.941 177 D HN 0.235 nan 8.370 nan 0.000 0.456 178 I N 0.480 121.137 120.570 0.145 0.000 2.454 178 I HA -0.189 3.990 4.170 0.015 0.000 0.254 178 I C 1.887 178.046 176.117 0.071 0.000 1.156 178 I CA 0.934 62.327 61.300 0.155 0.000 1.433 178 I CB -0.146 38.024 38.000 0.283 0.000 1.082 178 I HN 0.012 nan 8.210 nan 0.000 0.432 179 L N 0.177 121.432 121.223 0.053 0.000 2.083 179 L HA -0.224 4.125 4.340 0.015 0.000 0.209 179 L C 2.255 179.095 176.870 -0.049 0.000 1.083 179 L CA 1.394 56.211 54.840 -0.039 0.000 0.752 179 L CB -0.984 41.077 42.059 0.004 0.000 0.899 179 L HN 0.349 nan 8.230 nan 0.000 0.433 180 N N 0.247 118.941 118.700 -0.010 0.000 2.188 180 N HA -0.134 4.615 4.740 0.015 0.000 0.184 180 N C 1.976 177.478 175.510 -0.012 0.000 1.018 180 N CA 1.189 54.234 53.050 -0.009 0.000 0.858 180 N CB -0.099 38.389 38.487 0.003 0.000 0.989 180 N HN 0.362 nan 8.380 nan 0.000 0.426 181 L N 0.824 122.045 121.223 -0.004 0.000 2.093 181 L HA -0.090 4.259 4.340 0.015 0.000 0.208 181 L C 2.383 179.242 176.870 -0.019 0.000 1.085 181 L CA 0.677 55.518 54.840 0.000 0.000 0.755 181 L CB -0.422 41.650 42.059 0.021 0.000 0.904 181 L HN -0.046 nan 8.230 nan 0.000 0.435 182 V N -0.100 119.779 119.914 -0.059 0.000 2.295 182 V HA -0.294 3.835 4.120 0.015 0.000 0.246 182 V C 2.679 178.732 176.094 -0.069 0.000 1.049 182 V CA 1.814 64.050 62.300 -0.105 0.000 1.024 182 V CB -0.597 31.027 31.823 -0.333 0.000 0.648 182 V HN 0.432 nan 8.190 nan 0.000 0.447 183 R N 0.167 120.625 120.500 -0.070 0.000 2.096 183 R HA -0.215 4.134 4.340 0.015 0.000 0.240 183 R C 1.929 178.221 176.300 -0.013 0.000 1.139 183 R CA 2.197 58.276 56.100 -0.035 0.000 0.952 183 R CB -0.363 29.919 30.300 -0.029 0.000 0.854 183 R HN 0.532 nan 8.270 nan 0.000 0.436 184 D N -0.343 120.050 120.400 -0.011 0.000 2.348 184 D HA -0.071 4.579 4.640 0.015 0.000 0.216 184 D C 0.462 176.762 176.300 0.000 0.000 0.970 184 D CA 0.798 54.796 54.000 -0.002 0.000 0.889 184 D CB 0.007 40.807 40.800 -0.001 0.000 0.912 184 D HN 0.313 nan 8.370 nan 0.000 0.524 185 N N -0.191 118.509 118.700 0.000 0.000 2.197 185 N HA 0.090 4.839 4.740 0.015 0.000 0.228 185 N C 0.012 175.529 175.510 0.012 0.000 1.212 185 N CA -0.100 52.953 53.050 0.004 0.000 0.883 185 N CB 1.469 39.960 38.487 0.007 0.000 1.107 185 N HN 0.215 nan 8.380 nan 0.000 0.519 186 M N 0.996 120.609 119.600 0.021 0.000 2.478 186 M HA 0.422 4.911 4.480 0.015 0.000 0.327 186 M C -0.674 175.658 176.300 0.054 0.000 1.187 186 M CA -0.540 54.793 55.300 0.055 0.000 1.022 186 M CB 1.628 34.272 32.600 0.073 0.000 1.629 186 M HN -0.159 nan 8.290 nan 0.000 0.461 187 I N 5.329 125.952 120.570 0.089 0.000 2.436 187 I HA 0.174 4.353 4.170 0.015 0.000 0.289 187 I C -0.705 175.502 176.117 0.150 0.000 1.083 187 I CA 0.060 61.404 61.300 0.073 0.000 1.372 187 I CB -0.010 38.015 38.000 0.041 0.000 1.408 187 I HN 0.601 nan 8.210 nan 0.000 0.516 188 L N 4.358 125.639 121.223 0.097 0.000 2.322 188 L HA 0.638 4.988 4.340 0.015 0.000 0.252 188 L C 0.960 177.882 176.870 0.086 0.000 1.055 188 L CA -0.764 54.134 54.840 0.097 0.000 0.849 188 L CB 1.827 43.919 42.059 0.055 0.000 1.446 188 L HN 0.725 nan 8.230 nan 0.000 0.416 189 G N 0.620 109.466 108.800 0.077 0.000 2.143 189 G HA2 -0.174 3.795 3.960 0.015 0.000 0.248 189 G HA3 -0.174 3.795 3.960 0.015 0.000 0.248 189 G C -0.302 174.647 174.900 0.081 0.000 0.991 189 G CA 0.292 45.431 45.100 0.064 0.000 0.689 189 G HN 0.743 nan 8.290 nan 0.000 0.522 190 V N -4.059 115.929 119.914 0.123 0.000 3.074 190 V HA 0.857 4.986 4.120 0.015 0.000 0.314 190 V C 0.420 176.614 176.094 0.168 0.000 1.117 190 V CA -1.942 60.444 62.300 0.142 0.000 1.014 190 V CB 1.545 33.474 31.823 0.176 0.000 1.057 190 V HN 0.297 nan 8.190 nan 0.000 0.438 191 R N 0.995 121.584 120.500 0.148 0.000 2.438 191 R HA 0.681 5.030 4.340 0.015 0.000 0.287 191 R C -0.433 175.972 176.300 0.176 0.000 1.077 191 R CA -0.084 56.094 56.100 0.130 0.000 1.034 191 R CB 1.469 31.823 30.300 0.089 0.000 0.993 191 R HN 0.964 nan 8.270 nan 0.000 0.459 192 V N -0.911 119.063 119.914 0.099 0.000 3.130 192 V HA 0.587 4.716 4.120 0.015 0.000 0.310 192 V C -0.945 175.118 176.094 -0.051 0.000 1.158 192 V CA -1.125 61.184 62.300 0.016 0.000 1.029 192 V CB 2.206 33.984 31.823 -0.075 0.000 1.057 192 V HN 0.716 nan 8.190 nan 0.000 0.436 193 K N 2.373 122.704 120.400 -0.115 0.000 2.323 193 K HA 0.638 4.967 4.320 0.015 0.000 0.259 193 K C -1.433 175.014 176.600 -0.255 0.000 0.947 193 K CA -0.824 55.366 56.287 -0.162 0.000 0.819 193 K CB 1.645 34.086 32.500 -0.099 0.000 1.109 193 K HN 0.723 nan 8.250 nan 0.000 0.429 194 I N 6.086 126.373 120.570 -0.470 0.000 2.315 194 I HA 0.261 4.440 4.170 0.015 0.000 0.291 194 I C -0.280 175.610 176.117 -0.378 0.000 1.006 194 I CA -0.670 60.326 61.300 -0.507 0.000 1.265 194 I CB 0.985 38.397 38.000 -0.981 0.000 1.387 194 I HN 0.573 nan 8.210 nan 0.000 0.475 195 L N 6.333 127.451 121.223 -0.175 0.000 2.298 195 L HA 0.725 5.074 4.340 0.015 0.000 0.284 195 L C 0.607 177.457 176.870 -0.033 0.000 1.013 195 L CA -0.087 54.697 54.840 -0.093 0.000 0.824 195 L CB 1.620 43.646 42.059 -0.055 0.000 1.221 195 L HN 0.818 nan 8.230 nan 0.000 0.418 196 G N 1.746 110.539 108.800 -0.010 0.000 3.400 196 G HA2 0.011 3.981 3.960 0.015 0.000 0.167 196 G HA3 0.011 3.981 3.960 0.015 0.000 0.167 196 G C -1.108 173.814 174.900 0.036 0.000 1.196 196 G CA -0.233 44.884 45.100 0.030 0.000 1.174 196 G HN 0.459 nan 8.290 nan 0.000 0.681 197 D N 1.404 121.837 120.400 0.055 0.000 2.470 197 D HA 0.460 5.109 4.640 0.015 0.000 0.226 197 D C 0.940 177.278 176.300 0.063 0.000 1.196 197 D CA 1.246 55.276 54.000 0.051 0.000 0.979 197 D CB -0.415 40.416 40.800 0.051 0.000 1.059 197 D HN 1.105 nan 8.370 nan 0.000 0.515 198 G N 2.238 111.066 108.800 0.048 0.000 2.466 198 G HA2 -0.061 3.908 3.960 0.015 0.000 0.218 198 G HA3 -0.061 3.908 3.960 0.015 0.000 0.218 198 G C -0.654 174.274 174.900 0.046 0.000 1.237 198 G CA -0.076 45.057 45.100 0.056 0.000 0.954 198 G HN 1.294 nan 8.290 nan 0.000 0.580 199 S N -1.419 114.328 115.700 0.079 0.000 2.622 199 S HA 0.827 5.306 4.470 0.015 0.000 0.275 199 S C -0.963 173.711 174.600 0.122 0.000 1.112 199 S CA 0.153 58.354 58.200 0.001 0.000 0.837 199 S CB 1.552 64.720 63.200 -0.054 0.000 1.082 199 S HN 2.445 nan 8.310 nan 0.000 0.456 200 F N -1.094 118.862 119.950 0.009 0.000 2.668 200 F HA 0.901 5.438 4.527 0.017 0.000 0.309 200 F C -0.990 174.812 175.800 0.004 0.000 1.117 200 F CA -0.931 57.072 58.000 0.005 0.000 0.951 200 F CB 0.968 39.969 39.000 0.001 0.000 1.323 200 F HN 0.714 nan 8.300 nan 0.000 0.451 201 E N 0.364 120.695 120.200 0.219 0.000 2.263 201 E HA 0.804 5.163 4.350 0.015 0.000 0.264 201 E C -0.441 176.274 176.600 0.192 0.000 0.923 201 E CA -1.302 55.170 56.400 0.119 0.000 0.802 201 E CB 2.428 32.170 29.700 0.070 0.000 1.228 201 E HN 1.116 nan 8.360 nan 0.000 0.417 202 G N 0.642 109.519 108.800 0.129 0.000 2.322 202 G HA2 0.248 4.217 3.960 0.015 0.000 0.295 202 G HA3 0.248 4.217 3.960 0.015 0.000 0.295 202 G C -1.589 173.363 174.900 0.086 0.000 1.369 202 G CA -0.883 44.286 45.100 0.116 0.000 0.821 202 G HN 0.271 nan 8.290 nan 0.000 0.536 203 I N 1.507 122.120 120.570 0.070 0.000 2.371 203 I HA 0.479 4.658 4.170 0.015 0.000 0.290 203 I C 1.093 177.242 176.117 0.053 0.000 1.028 203 I CA -0.634 60.705 61.300 0.065 0.000 1.345 203 I CB 0.907 38.938 38.000 0.050 0.000 1.407 203 I HN 0.706 nan 8.210 nan 0.000 0.501 204 A N 6.978 129.837 122.820 0.064 0.000 2.457 204 A HA 0.211 4.540 4.320 0.015 0.000 0.298 204 A C 1.161 178.760 177.584 0.025 0.000 1.288 204 A CA -0.292 51.763 52.037 0.029 0.000 0.956 204 A CB -0.083 18.954 19.000 0.062 0.000 1.135 204 A HN 0.725 nan 8.150 nan 0.000 0.535 205 E N 1.070 121.269 120.200 -0.000 0.000 2.060 205 E HA 0.019 4.378 4.350 0.015 0.000 0.189 205 E C 0.120 176.716 176.600 -0.006 0.000 0.974 205 E CA 0.957 57.359 56.400 0.002 0.000 0.808 205 E CB 0.211 29.910 29.700 -0.002 0.000 0.768 205 E HN 0.831 nan 8.360 nan 0.000 0.453 206 D N -1.354 119.028 120.400 -0.030 0.000 2.827 206 D HA 0.183 4.832 4.640 0.015 0.000 0.336 206 D C -1.470 174.794 176.300 -0.061 0.000 1.374 206 D CA -0.582 53.401 54.000 -0.029 0.000 0.794 206 D CB 0.548 41.342 40.800 -0.010 0.000 1.364 206 D HN -0.037 nan 8.370 nan 0.000 0.464 207 I N -0.560 119.989 120.570 -0.035 0.000 2.530 207 I HA 0.641 4.821 4.170 0.015 0.000 0.297 207 I C -0.135 176.005 176.117 0.038 0.000 1.011 207 I CA -0.856 60.436 61.300 -0.013 0.000 1.107 207 I CB 1.741 39.746 38.000 0.009 0.000 1.285 207 I HN 0.233 nan 8.210 nan 0.000 0.436 208 D N 3.511 123.964 120.400 0.088 0.000 2.478 208 D HA 0.030 4.679 4.640 0.015 0.000 0.274 208 D C 0.720 177.124 176.300 0.173 0.000 1.234 208 D CA -0.318 53.755 54.000 0.122 0.000 1.069 208 D CB 0.323 41.204 40.800 0.135 0.000 1.113 208 D HN 0.730 nan 8.370 nan 0.000 0.571 209 D N -1.119 119.399 120.400 0.197 0.000 2.384 209 D HA -0.176 4.473 4.640 0.015 0.000 0.222 209 D C 0.904 177.282 176.300 0.130 0.000 0.976 209 D CA 0.587 54.677 54.000 0.150 0.000 0.915 209 D CB -0.432 40.443 40.800 0.125 0.000 0.896 209 D HN 0.293 nan 8.370 nan 0.000 0.523 210 F N -0.333 119.694 119.950 0.128 0.000 2.682 210 F HA 0.366 4.902 4.527 0.015 0.000 0.308 210 F C 2.041 178.015 175.800 0.291 0.000 1.093 210 F CA 0.247 58.352 58.000 0.175 0.000 1.244 210 F CB 0.959 40.044 39.000 0.140 0.000 1.052 210 F HN 0.170 nan 8.300 nan 0.000 0.573 211 G N 0.955 110.022 108.800 0.445 0.000 2.157 211 G HA2 -0.273 3.696 3.960 0.015 0.000 0.239 211 G HA3 -0.273 3.696 3.960 0.015 0.000 0.239 211 G C 0.423 175.734 174.900 0.686 0.000 0.982 211 G CA -0.520 44.918 45.100 0.563 0.000 0.650 211 G HN 0.279 nan 8.290 nan 0.000 0.527 212 R N -0.397 120.384 120.500 0.468 0.000 2.438 212 R HA 0.489 4.838 4.340 0.015 0.000 0.287 212 R C 0.242 176.571 176.300 0.048 0.000 1.077 212 R CA -0.684 55.627 56.100 0.352 0.000 1.034 212 R CB 0.975 31.399 30.300 0.206 0.000 0.993 212 R HN 0.204 nan 8.270 nan 0.000 0.459 213 L N 4.425 125.423 121.223 -0.376 0.000 2.360 213 L HA 0.192 4.541 4.340 0.015 0.000 0.276 213 L C -0.557 176.123 176.870 -0.318 0.000 1.121 213 L CA 0.191 54.611 54.840 -0.701 0.000 0.845 213 L CB 0.606 41.721 42.059 -1.573 0.000 1.143 213 L HN 0.435 nan 8.230 nan 0.000 0.452 214 I N 6.830 127.285 120.570 -0.192 0.000 2.304 214 I HA 0.282 4.461 4.170 0.015 0.000 0.291 214 I C -0.135 175.940 176.117 -0.069 0.000 1.018 214 I CA -0.360 60.884 61.300 -0.092 0.000 1.260 214 I CB 0.863 38.833 38.000 -0.050 0.000 1.390 214 I HN 0.389 nan 8.210 nan 0.000 0.475 215 I N 6.441 126.995 120.570 -0.027 0.000 2.433 215 I HA 0.380 4.559 4.170 0.015 0.000 0.292 215 I C 0.358 176.486 176.117 0.018 0.000 1.001 215 I CA -0.707 60.610 61.300 0.029 0.000 1.119 215 I CB 1.807 39.903 38.000 0.160 0.000 1.289 215 I HN 0.529 nan 8.210 nan 0.000 0.438 216 R N 5.899 126.414 120.500 0.025 0.000 2.246 216 R HA 0.524 4.873 4.340 0.015 0.000 0.332 216 R C -1.212 175.105 176.300 0.028 0.000 0.974 216 R CA -0.689 55.418 56.100 0.011 0.000 0.837 216 R CB 0.841 31.147 30.300 0.009 0.000 1.145 216 R HN 0.356 nan 8.270 nan 0.000 0.467 217 L N 3.209 124.439 121.223 0.011 0.000 2.453 217 L HA 0.088 4.437 4.340 0.015 0.000 0.261 217 L C 1.377 178.258 176.870 0.018 0.000 1.179 217 L CA 0.321 55.177 54.840 0.028 0.000 0.813 217 L CB 0.825 42.879 42.059 -0.009 0.000 1.110 217 L HN 0.658 nan 8.230 nan 0.000 0.466 218 D N -0.196 120.221 120.400 0.028 0.000 2.190 218 D HA -0.181 4.469 4.640 0.015 0.000 0.200 218 D C 1.917 178.222 176.300 0.009 0.000 0.992 218 D CA 1.713 55.725 54.000 0.020 0.000 0.854 218 D CB 0.050 40.864 40.800 0.024 0.000 0.936 218 D HN 0.707 nan 8.370 nan 0.000 0.462 219 S N -0.836 114.864 115.700 0.001 0.000 2.481 219 S HA 0.106 4.585 4.470 0.015 0.000 0.231 219 S C 1.820 176.413 174.600 -0.011 0.000 0.996 219 S CA 1.210 59.406 58.200 -0.007 0.000 0.942 219 S CB 0.271 63.462 63.200 -0.014 0.000 0.768 219 S HN 0.374 nan 8.310 nan 0.000 0.520 220 G N 0.638 109.431 108.800 -0.012 0.000 2.213 220 G HA2 -0.253 3.717 3.960 0.015 0.000 0.226 220 G HA3 -0.253 3.717 3.960 0.015 0.000 0.226 220 G C -0.154 174.730 174.900 -0.026 0.000 0.992 220 G CA 0.090 45.182 45.100 -0.014 0.000 0.632 220 G HN 0.700 nan 8.290 nan 0.000 0.511 221 E N 0.670 120.847 120.200 -0.039 0.000 2.414 221 E HA 0.370 4.730 4.350 0.015 0.000 0.263 221 E C -0.148 176.409 176.600 -0.071 0.000 1.000 221 E CA -0.045 56.317 56.400 -0.062 0.000 0.914 221 E CB 0.689 30.336 29.700 -0.088 0.000 0.948 221 E HN 0.162 nan 8.360 nan 0.000 0.444 222 V N 5.366 125.236 119.914 -0.074 0.000 2.417 222 V HA 0.316 4.446 4.120 0.015 0.000 0.291 222 V C -0.074 175.958 176.094 -0.104 0.000 1.024 222 V CA -0.520 61.737 62.300 -0.071 0.000 0.861 222 V CB 1.597 33.392 31.823 -0.047 0.000 0.985 222 V HN 0.621 nan 8.190 nan 0.000 0.436 223 K N 3.647 123.976 120.400 -0.119 0.000 2.259 223 K HA 0.600 4.929 4.320 0.015 0.000 0.252 223 K C -0.886 175.674 176.600 -0.066 0.000 0.936 223 K CA -0.872 55.327 56.287 -0.148 0.000 0.810 223 K CB 2.239 34.536 32.500 -0.338 0.000 1.143 223 K HN 0.540 nan 8.250 nan 0.000 0.427 224 K N 2.233 122.604 120.400 -0.048 0.000 2.339 224 K HA 0.302 4.631 4.320 0.015 0.000 0.264 224 K C -0.810 175.803 176.600 0.022 0.000 0.986 224 K CA -0.700 55.573 56.287 -0.023 0.000 0.866 224 K CB 1.684 34.167 32.500 -0.027 0.000 1.103 224 K HN 0.184 nan 8.250 nan 0.000 0.441 225 V N 5.144 125.065 119.914 0.012 0.000 2.407 225 V HA 0.318 4.447 4.120 0.015 0.000 0.278 225 V C 0.220 176.472 176.094 0.262 0.000 1.037 225 V CA -0.709 61.652 62.300 0.103 0.000 0.900 225 V CB 0.915 32.740 31.823 0.004 0.000 0.983 225 V HN 0.658 nan 8.190 nan 0.000 0.459 226 I N 5.698 126.450 120.570 0.304 0.000 2.331 226 I HA 0.320 4.499 4.170 0.015 0.000 0.292 226 I C -0.128 176.223 176.117 0.390 0.000 0.998 226 I CA -0.730 60.757 61.300 0.312 0.000 1.267 226 I CB 1.074 39.136 38.000 0.103 0.000 1.386 226 I HN 0.742 nan 8.210 nan 0.000 0.476 227 Y N 5.175 125.701 120.300 0.378 0.000 2.336 227 Y HA 0.701 5.262 4.550 0.018 0.000 0.331 227 Y C 0.692 176.587 175.900 -0.007 0.000 1.211 227 Y CA -0.145 57.975 58.100 0.033 0.000 1.346 227 Y CB 0.955 39.062 38.460 -0.588 0.000 1.271 227 Y HN 0.709 nan 8.280 nan 0.000 0.538 228 G N 1.973 110.837 108.800 0.107 0.000 4.314 228 G HA2 -0.099 3.870 3.960 0.015 0.000 0.131 228 G HA3 -0.099 3.870 3.960 0.015 0.000 0.131 228 G C -0.099 174.832 174.900 0.052 0.000 1.870 228 G CA 0.085 45.196 45.100 0.018 0.000 0.933 228 G HN 0.530 nan 8.290 nan 0.000 0.294 229 D N 1.478 121.909 120.400 0.053 0.000 2.559 229 D HA 0.376 5.025 4.640 0.015 0.000 0.234 229 D C 0.348 176.686 176.300 0.062 0.000 1.226 229 D CA 0.380 54.408 54.000 0.047 0.000 0.830 229 D CB 1.820 42.641 40.800 0.034 0.000 1.028 229 D HN 0.631 nan 8.370 nan 0.000 0.492 230 V N -2.391 117.577 119.914 0.091 0.000 2.962 230 V HA 0.806 4.935 4.120 0.015 0.000 0.313 230 V C -0.308 175.839 176.094 0.089 0.000 1.099 230 V CA -0.653 61.704 62.300 0.096 0.000 0.971 230 V CB 2.296 34.211 31.823 0.152 0.000 1.028 230 V HN -0.088 nan 8.190 nan 0.000 0.430 231 S N 3.359 119.090 115.700 0.051 0.000 2.638 231 S HA 0.820 5.299 4.470 0.015 0.000 0.302 231 S C -0.710 173.902 174.600 0.019 0.000 1.096 231 S CA -0.700 57.523 58.200 0.037 0.000 0.953 231 S CB 1.908 65.114 63.200 0.010 0.000 1.107 231 S HN 1.099 nan 8.310 nan 0.000 0.503 232 L N 1.703 122.931 121.223 0.008 0.000 2.334 232 L HA 0.704 5.053 4.340 0.015 0.000 0.276 232 L C -1.018 175.746 176.870 -0.177 0.000 1.014 232 L CA -0.541 54.251 54.840 -0.080 0.000 0.815 232 L CB 0.874 42.916 42.059 -0.029 0.000 1.268 232 L HN 0.496 nan 8.230 nan 0.000 0.428 233 R N 4.091 124.455 120.500 -0.227 0.000 2.575 233 R HA 0.413 4.763 4.340 0.015 0.000 0.293 233 R C -1.430 174.748 176.300 -0.203 0.000 0.983 233 R CA -0.586 55.410 56.100 -0.173 0.000 0.887 233 R CB 1.797 32.059 30.300 -0.063 0.000 1.184 233 R HN 0.428 nan 8.270 nan 0.000 0.445 234 F N 2.160 122.159 119.950 0.082 0.000 2.389 234 F HA 0.396 4.934 4.527 0.018 0.000 0.337 234 F C 1.131 176.940 175.800 0.015 0.000 1.112 234 F CA -0.275 57.769 58.000 0.074 0.000 1.192 234 F CB 0.618 39.700 39.000 0.137 0.000 1.185 234 F HN 0.162 nan 8.300 nan 0.000 0.552 235 L N 0.000 121.350 121.223 0.212 0.000 2.949 235 L HA 0.000 4.349 4.340 0.015 0.000 0.249 235 L CA 0.000 54.895 54.840 0.092 0.000 0.813 235 L CB 0.000 42.101 42.059 0.070 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502