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 3qbw_1_B DATA FIRST_RESID 2 DATA SEQUENCE PRYLGLMSGT SLDGMDIVLI EQGDRTTLLA SHYLPMPAGL REDILALCVP DATA SEQUENCE GPDEIARAAE VEQRWVALAA QGVRELLLQQ QMSPDEVRAI GSHGQTIRHE DATA SEQUENCE PARHFTVQIG NPALLAELTG IDVVADFRRR DVAAGGQGAP LVPAFHQALF DATA SEQUENCE GXXXTSRAVL NIGGFSNVSL LSPGKPVRGF DCGPGNVLMD AWIHHQRGEH DATA SEQUENCE FDRDGAWAAS GQVNHALLAS LLADEFFAAR GPKSTGRERF NLPWLQEHLA DATA SEQUENCE XXXXLPAADI QATLLELSAR SISESLLDAQ PDCEEVLVCG GGAFNTALMK DATA SEQUENCE RLAMLMPEAR VASTDEYGIP PAWMEGMAFA WLAHRFLERL PGNCPDVTGA DATA SEQUENCE LGPRTLGALY PAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.152 177.300 -0.247 0.000 1.155 2 P CA 0.000 62.978 63.100 -0.203 0.000 0.800 2 P CB 0.000 31.480 31.700 -0.367 0.000 0.726 3 R N -0.074 120.206 120.500 -0.367 0.000 2.346 3 R HA 0.687 5.027 4.340 -0.000 0.000 0.311 3 R C -0.991 174.999 176.300 -0.517 0.000 0.983 3 R CA -0.363 55.575 56.100 -0.269 0.000 0.880 3 R CB 0.728 30.942 30.300 -0.142 0.000 1.100 3 R HN 0.372 nan 8.270 nan 0.000 0.453 4 Y N 1.891 122.209 120.300 0.030 0.000 2.499 4 Y HA 0.401 4.951 4.550 -0.000 0.000 0.347 4 Y C -0.180 175.748 175.900 0.047 0.000 0.987 4 Y CA -0.965 57.164 58.100 0.048 0.000 1.044 4 Y CB 1.592 40.098 38.460 0.077 0.000 1.245 4 Y HN 0.237 nan 8.280 nan 0.000 0.461 5 L N 2.048 123.391 121.223 0.200 0.000 2.325 5 L HA 0.756 5.096 4.340 -0.000 0.000 0.279 5 L C 0.458 177.430 176.870 0.170 0.000 1.054 5 L CA -0.601 54.320 54.840 0.136 0.000 0.804 5 L CB 1.356 43.459 42.059 0.073 0.000 1.200 5 L HN 0.850 nan 8.230 nan 0.000 0.436 6 G N 2.683 111.565 108.800 0.137 0.000 2.470 6 G HA2 0.591 4.551 3.960 -0.000 0.000 0.320 6 G HA3 0.591 4.551 3.960 -0.000 0.000 0.320 6 G C -1.703 173.281 174.900 0.140 0.000 1.245 6 G CA -0.343 44.855 45.100 0.163 0.000 0.935 6 G HN 0.350 nan 8.290 nan 0.000 0.476 7 L N 2.960 124.285 121.223 0.170 0.000 2.342 7 L HA 0.840 5.180 4.340 -0.000 0.000 0.276 7 L C -0.666 176.313 176.870 0.181 0.000 0.997 7 L CA -1.000 53.926 54.840 0.144 0.000 0.838 7 L CB 1.678 43.818 42.059 0.136 0.000 1.224 7 L HN 0.518 nan 8.230 nan 0.000 0.416 8 M N 4.214 123.920 119.600 0.177 0.000 2.465 8 M HA 0.716 5.196 4.480 -0.000 0.000 0.316 8 M C -1.095 175.359 176.300 0.256 0.000 1.121 8 M CA -0.058 55.353 55.300 0.184 0.000 0.934 8 M CB 2.105 34.804 32.600 0.165 0.000 1.692 8 M HN 0.508 nan 8.290 nan 0.000 0.444 9 S N 3.140 119.039 115.700 0.331 0.000 2.511 9 S HA 0.713 5.183 4.470 -0.000 0.000 0.233 9 S C -0.368 174.409 174.600 0.294 0.000 1.104 9 S CA -0.292 58.116 58.200 0.346 0.000 1.129 9 S CB -0.023 63.521 63.200 0.574 0.000 1.159 9 S HN 1.102 nan 8.310 nan 0.000 0.451 10 G N 1.685 110.611 108.800 0.208 0.000 2.563 10 G HA2 0.353 4.313 3.960 -0.000 0.000 0.283 10 G HA3 0.353 4.313 3.960 -0.000 0.000 0.283 10 G C 1.177 176.174 174.900 0.160 0.000 1.309 10 G CA 0.119 45.313 45.100 0.157 0.000 1.022 10 G HN 0.874 nan 8.290 nan 0.000 0.501 11 T N -2.618 112.030 114.554 0.157 0.000 3.051 11 T HA -0.052 4.298 4.350 -0.000 0.000 0.269 11 T C 2.076 176.852 174.700 0.126 0.000 1.127 11 T CA 1.424 63.626 62.100 0.170 0.000 1.107 11 T CB -0.022 69.017 68.868 0.284 0.000 0.898 11 T HN 0.207 nan 8.240 nan 0.000 0.517 12 S N 1.166 116.924 115.700 0.097 0.000 2.461 12 S HA 0.281 4.751 4.470 -0.000 0.000 0.228 12 S C 1.133 175.780 174.600 0.078 0.000 1.005 12 S CA 0.271 58.506 58.200 0.059 0.000 0.942 12 S CB -0.554 62.667 63.200 0.035 0.000 0.776 12 S HN 0.598 nan 8.310 nan 0.000 0.514 13 L N 1.459 122.749 121.223 0.113 0.000 4.232 13 L HA -0.269 4.071 4.340 -0.000 0.000 0.415 13 L C 1.449 178.407 176.870 0.146 0.000 1.168 13 L CA 0.697 55.612 54.840 0.125 0.000 0.966 13 L CB -1.568 40.547 42.059 0.092 0.000 2.052 13 L HN 0.446 nan 8.230 nan 0.000 0.887 14 D N 0.021 120.527 120.400 0.176 0.000 2.144 14 D HA 0.029 4.669 4.640 -0.000 0.000 0.199 14 D C 1.082 177.530 176.300 0.246 0.000 0.984 14 D CA 1.654 55.804 54.000 0.250 0.000 0.834 14 D CB 0.311 41.260 40.800 0.249 0.000 0.955 14 D HN 0.536 nan 8.370 nan 0.000 0.465 15 G N -0.525 108.377 108.800 0.170 0.000 2.335 15 G HA2 0.398 4.358 3.960 -0.000 0.000 0.291 15 G HA3 0.398 4.358 3.960 -0.000 0.000 0.291 15 G C -1.810 173.055 174.900 -0.060 0.000 1.261 15 G CA -0.601 44.444 45.100 -0.091 0.000 0.871 15 G HN 0.130 nan 8.290 nan 0.000 0.491 16 M N 1.283 120.730 119.600 -0.255 0.000 2.227 16 M HA 0.432 4.912 4.480 -0.000 0.000 0.335 16 M C -1.468 174.808 176.300 -0.040 0.000 1.053 16 M CA -0.740 54.488 55.300 -0.119 0.000 0.973 16 M CB 1.591 34.034 32.600 -0.262 0.000 1.623 16 M HN 0.403 nan 8.290 nan 0.000 0.434 17 D N 5.827 126.317 120.400 0.150 0.000 2.233 17 D HA 0.488 5.128 4.640 -0.000 0.000 0.240 17 D C -0.808 175.548 176.300 0.094 0.000 1.074 17 D CA 0.088 54.235 54.000 0.246 0.000 0.838 17 D CB 1.418 42.493 40.800 0.457 0.000 1.124 17 D HN 0.469 nan 8.370 nan 0.000 0.475 18 I N 1.626 122.195 120.570 -0.002 0.000 2.436 18 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 18 I C -0.073 175.976 176.117 -0.114 0.000 1.010 18 I CA -1.115 60.173 61.300 -0.020 0.000 1.098 18 I CB 2.006 40.002 38.000 -0.006 0.000 1.266 18 I HN 0.102 nan 8.210 nan 0.000 0.434 19 V N 4.250 124.131 119.914 -0.054 0.000 2.864 19 V HA 0.716 4.835 4.120 -0.000 0.000 0.314 19 V C -1.097 174.992 176.094 -0.009 0.000 1.073 19 V CA -0.919 61.332 62.300 -0.081 0.000 0.956 19 V CB 2.095 33.914 31.823 -0.007 0.000 1.023 19 V HN 0.592 nan 8.190 nan 0.000 0.435 20 L N 5.380 126.595 121.223 -0.014 0.000 2.333 20 L HA 0.819 5.159 4.340 -0.000 0.000 0.280 20 L C -0.475 176.432 176.870 0.062 0.000 1.004 20 L CA -0.329 54.526 54.840 0.026 0.000 0.820 20 L CB 1.349 43.406 42.059 -0.004 0.000 1.247 20 L HN 0.892 nan 8.230 nan 0.000 0.416 21 I N 0.616 121.256 120.570 0.115 0.000 2.740 21 I HA 0.723 4.893 4.170 -0.000 0.000 0.303 21 I C -0.861 175.347 176.117 0.151 0.000 1.044 21 I CA -0.847 60.543 61.300 0.150 0.000 1.064 21 I CB 2.048 40.172 38.000 0.205 0.000 1.249 21 I HN 0.612 nan 8.210 nan 0.000 0.433 22 E N 3.101 123.383 120.200 0.136 0.000 2.146 22 E HA 0.330 4.680 4.350 -0.000 0.000 0.282 22 E C -1.069 175.639 176.600 0.180 0.000 0.989 22 E CA -0.318 56.154 56.400 0.120 0.000 0.799 22 E CB 1.273 31.018 29.700 0.076 0.000 1.088 22 E HN 0.587 nan 8.360 nan 0.000 0.397 23 Q N 2.977 122.904 119.800 0.212 0.000 2.331 23 Q HA 0.688 5.028 4.340 -0.000 0.000 0.267 23 Q C -0.482 175.603 176.000 0.141 0.000 1.006 23 Q CA -0.209 55.742 55.803 0.247 0.000 0.818 23 Q CB 1.624 30.578 28.738 0.360 0.000 1.276 23 Q HN 0.648 nan 8.270 nan 0.000 0.450 24 G N 2.465 111.355 108.800 0.151 0.000 3.495 24 G HA2 0.092 4.052 3.960 -0.000 0.000 0.178 24 G HA3 0.092 4.052 3.960 -0.000 0.000 0.178 24 G C -0.194 174.796 174.900 0.149 0.000 1.262 24 G CA 0.229 45.397 45.100 0.113 0.000 1.096 24 G HN 0.625 nan 8.290 nan 0.000 0.727 25 D N 0.941 121.407 120.400 0.110 0.000 2.106 25 D HA 0.180 4.820 4.640 -0.000 0.000 0.191 25 D C 1.574 177.945 176.300 0.118 0.000 0.997 25 D CA 2.198 56.260 54.000 0.103 0.000 0.834 25 D CB -0.431 40.411 40.800 0.070 0.000 0.956 25 D HN 0.655 nan 8.370 nan 0.000 0.448 26 R N -0.344 120.224 120.500 0.112 0.000 2.939 26 R HA 0.723 5.063 4.340 -0.000 0.000 0.254 26 R C -0.309 176.080 176.300 0.148 0.000 1.123 26 R CA -0.603 55.557 56.100 0.101 0.000 1.020 26 R CB 0.051 30.383 30.300 0.054 0.000 1.206 26 R HN 0.096 nan 8.270 nan 0.000 0.491 27 T N 1.636 116.267 114.554 0.129 0.000 2.749 27 T HA 0.523 4.873 4.350 -0.000 0.000 0.287 27 T C -0.683 174.091 174.700 0.123 0.000 0.970 27 T CA -0.125 62.086 62.100 0.185 0.000 0.980 27 T CB 1.147 70.171 68.868 0.260 0.000 0.924 27 T HN 0.598 nan 8.240 nan 0.000 0.456 28 T N 3.740 118.377 114.554 0.138 0.000 2.824 28 T HA 0.412 4.762 4.350 -0.000 0.000 0.282 28 T C -0.472 174.302 174.700 0.122 0.000 0.993 28 T CA -0.679 61.486 62.100 0.109 0.000 0.967 28 T CB 1.297 70.218 68.868 0.087 0.000 0.960 28 T HN 0.357 nan 8.240 nan 0.000 0.441 29 L N 4.713 126.008 121.223 0.121 0.000 2.369 29 L HA 0.335 4.675 4.340 -0.000 0.000 0.279 29 L C 0.602 177.522 176.870 0.083 0.000 1.108 29 L CA 0.226 55.136 54.840 0.116 0.000 0.852 29 L CB -0.207 41.941 42.059 0.149 0.000 1.169 29 L HN 0.735 nan 8.230 nan 0.000 0.452 30 L N 4.837 126.096 121.223 0.061 0.000 2.221 30 L HA 0.433 4.773 4.340 -0.000 0.000 0.202 30 L C 0.760 177.641 176.870 0.019 0.000 1.074 30 L CA 0.622 55.485 54.840 0.039 0.000 0.795 30 L CB -0.262 41.815 42.059 0.029 0.000 0.960 30 L HN 0.776 nan 8.230 nan 0.000 0.458 31 A N -0.817 121.998 122.820 -0.008 0.000 2.612 31 A HA 0.636 4.956 4.320 -0.000 0.000 0.293 31 A C -0.885 176.615 177.584 -0.139 0.000 1.075 31 A CA -0.194 51.815 52.037 -0.046 0.000 0.680 31 A CB 1.571 20.550 19.000 -0.036 0.000 1.279 31 A HN 0.050 nan 8.150 nan 0.000 0.411 32 S N 0.101 115.665 115.700 -0.227 0.000 2.632 32 S HA 0.860 5.330 4.470 -0.000 0.000 0.289 32 S C -0.970 173.456 174.600 -0.290 0.000 1.115 32 S CA -0.481 57.412 58.200 -0.512 0.000 0.889 32 S CB 1.710 64.158 63.200 -1.254 0.000 1.116 32 S HN 1.624 nan 8.310 nan 0.000 0.486 33 H N -0.240 118.547 119.070 -0.471 0.000 3.099 33 H HA 0.453 5.009 4.556 -0.000 0.000 0.342 33 H C -2.357 172.903 175.328 -0.113 0.000 1.054 33 H CA -0.312 55.612 56.048 -0.207 0.000 1.328 33 H CB 1.259 30.936 29.762 -0.142 0.000 1.876 33 H HN 0.757 nan 8.280 nan 0.000 0.495 34 Y N 5.633 125.682 120.300 -0.418 0.000 2.364 34 Y HA 0.551 5.101 4.550 -0.000 0.000 0.340 34 Y C -1.529 174.228 175.900 -0.237 0.000 0.975 34 Y CA -0.867 57.139 58.100 -0.157 0.000 1.089 34 Y CB 1.032 39.549 38.460 0.095 0.000 1.192 34 Y HN 0.577 nan 8.280 nan 0.000 0.454 35 L N 9.026 129.915 121.223 -0.556 0.000 2.343 35 L HA 0.477 4.817 4.340 -0.000 0.000 0.278 35 L C -2.446 174.031 176.870 -0.655 0.000 0.996 35 L CA -2.182 52.385 54.840 -0.454 0.000 0.831 35 L CB 1.941 43.853 42.059 -0.245 0.000 1.232 35 L HN 0.548 nan 8.230 nan 0.000 0.413 36 P HA 0.056 nan 4.420 nan 0.000 0.269 36 P C -0.461 176.741 177.300 -0.162 0.000 1.215 36 P CA -0.400 62.534 63.100 -0.276 0.000 0.780 36 P CB 0.529 32.215 31.700 -0.023 0.000 0.898 37 M N 4.772 124.334 119.600 -0.064 0.000 2.188 37 M HA 0.300 4.780 4.480 -0.000 0.000 0.354 37 M C -2.327 173.987 176.300 0.023 0.000 1.342 37 M CA -2.191 53.102 55.300 -0.011 0.000 1.117 37 M CB -0.030 32.605 32.600 0.059 0.000 1.670 37 M HN 0.136 nan 8.290 nan 0.000 0.466 38 P HA 0.149 nan 4.420 nan 0.000 0.268 38 P C -0.211 177.123 177.300 0.057 0.000 1.204 38 P CA -0.003 63.112 63.100 0.025 0.000 0.768 38 P CB 0.621 32.328 31.700 0.012 0.000 0.842 39 A N 3.917 126.778 122.820 0.068 0.000 1.948 39 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 39 A C 2.306 179.937 177.584 0.079 0.000 1.177 39 A CA 2.264 54.359 52.037 0.098 0.000 0.636 39 A CB -1.726 17.335 19.000 0.100 0.000 0.815 39 A HN 0.640 nan 8.150 nan 0.000 0.449 40 G N -0.412 108.424 108.800 0.060 0.000 2.446 40 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 40 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 40 G C 1.491 176.426 174.900 0.058 0.000 1.168 40 G CA 1.262 46.394 45.100 0.053 0.000 0.771 40 G HN 0.501 nan 8.290 nan 0.000 0.551 41 L N 0.557 121.817 121.223 0.062 0.000 2.072 41 L HA 0.163 4.503 4.340 -0.000 0.000 0.205 41 L C 2.744 179.668 176.870 0.090 0.000 1.079 41 L CA 1.932 56.819 54.840 0.078 0.000 0.752 41 L CB -0.521 41.588 42.059 0.083 0.000 0.906 41 L HN 0.251 nan 8.230 nan 0.000 0.436 42 R N -0.561 119.991 120.500 0.087 0.000 2.083 42 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 42 R C 1.904 178.241 176.300 0.062 0.000 1.137 42 R CA 1.676 57.825 56.100 0.082 0.000 0.951 42 R CB -0.209 30.141 30.300 0.083 0.000 0.851 42 R HN 0.392 nan 8.270 nan 0.000 0.434 43 E N 0.781 121.017 120.200 0.060 0.000 2.150 43 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 43 E C 1.607 178.240 176.600 0.054 0.000 0.985 43 E CA 0.999 57.432 56.400 0.055 0.000 0.814 43 E CB -0.213 29.525 29.700 0.063 0.000 0.752 43 E HN 0.439 nan 8.360 nan 0.000 0.466 44 D N 0.660 121.093 120.400 0.056 0.000 2.144 44 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 44 D C 2.127 178.455 176.300 0.047 0.000 0.978 44 D CA 0.507 54.536 54.000 0.049 0.000 0.833 44 D CB -0.196 40.633 40.800 0.049 0.000 0.961 44 D HN 0.195 nan 8.370 nan 0.000 0.470 45 I N 0.514 121.118 120.570 0.056 0.000 2.179 45 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 45 I C 2.356 178.499 176.117 0.042 0.000 1.088 45 I CA 0.745 62.072 61.300 0.046 0.000 1.357 45 I CB -0.189 37.850 38.000 0.065 0.000 1.051 45 I HN -0.027 nan 8.210 nan 0.000 0.409 46 L N 0.519 121.772 121.223 0.050 0.000 2.191 46 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 46 L C 2.708 179.609 176.870 0.052 0.000 1.103 46 L CA 1.114 55.985 54.840 0.052 0.000 0.769 46 L CB -0.607 41.482 42.059 0.049 0.000 0.908 46 L HN 0.268 nan 8.230 nan 0.000 0.438 47 A N -0.462 122.387 122.820 0.048 0.000 2.066 47 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 47 A C 2.120 179.727 177.584 0.038 0.000 1.157 47 A CA 0.963 53.027 52.037 0.045 0.000 0.670 47 A CB -0.327 18.698 19.000 0.042 0.000 0.804 47 A HN 0.398 nan 8.150 nan 0.000 0.453 48 L N -1.352 119.891 121.223 0.033 0.000 2.509 48 L HA -0.041 4.299 4.340 -0.000 0.000 0.222 48 L C 1.753 178.643 176.870 0.032 0.000 1.123 48 L CA 0.042 54.896 54.840 0.025 0.000 0.856 48 L CB -0.111 41.953 42.059 0.010 0.000 0.985 48 L HN 0.401 nan 8.230 nan 0.000 0.456 49 C N -0.443 118.881 119.300 0.041 0.000 2.491 49 C HA 0.076 4.536 4.460 -0.000 0.000 0.277 49 C C 1.137 176.159 174.990 0.054 0.000 1.455 49 C CA -0.377 58.671 59.018 0.050 0.000 1.758 49 C CB -1.106 26.670 27.740 0.060 0.000 1.745 49 C HN 0.329 nan 8.230 nan 0.000 0.558 50 V N -3.510 116.434 119.914 0.051 0.000 3.001 50 V HA 0.622 4.742 4.120 -0.000 0.000 0.314 50 V C -2.937 173.184 176.094 0.045 0.000 1.099 50 V CA -2.856 59.474 62.300 0.050 0.000 0.989 50 V CB 0.757 32.611 31.823 0.052 0.000 1.040 50 V HN -0.219 nan 8.190 nan 0.000 0.434 51 P HA 0.512 nan 4.420 nan 0.000 0.267 51 P C 0.181 177.500 177.300 0.031 0.000 1.201 51 P CA 0.843 63.966 63.100 0.038 0.000 0.775 51 P CB 0.565 32.288 31.700 0.038 0.000 0.854 52 G N 1.327 110.141 108.800 0.024 0.000 2.441 52 G HA2 0.506 4.466 3.960 -0.000 0.000 0.294 52 G HA3 0.506 4.466 3.960 -0.000 0.000 0.294 52 G C -3.246 171.662 174.900 0.014 0.000 1.393 52 G CA -0.796 44.317 45.100 0.021 0.000 0.796 52 G HN 0.365 nan 8.290 nan 0.000 0.494 53 P HA 0.397 nan 4.420 nan 0.000 0.279 53 P C -0.372 176.932 177.300 0.006 0.000 1.252 53 P CA 0.175 63.280 63.100 0.008 0.000 0.811 53 P CB 1.386 33.092 31.700 0.010 0.000 1.035 54 D N -0.088 120.313 120.400 0.002 0.000 2.772 54 D HA -0.168 4.472 4.640 -0.000 0.000 0.233 54 D C 0.724 177.022 176.300 -0.002 0.000 1.143 54 D CA 1.060 55.060 54.000 -0.000 0.000 0.700 54 D CB -1.207 39.594 40.800 0.003 0.000 1.076 54 D HN 0.506 nan 8.370 nan 0.000 0.430 55 E N -0.482 119.714 120.200 -0.005 0.000 2.150 55 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 55 E C 2.239 178.830 176.600 -0.015 0.000 0.985 55 E CA 1.038 57.433 56.400 -0.008 0.000 0.814 55 E CB 0.136 29.831 29.700 -0.009 0.000 0.752 55 E HN 0.570 nan 8.360 nan 0.000 0.466 56 I N 0.975 121.534 120.570 -0.019 0.000 2.163 56 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 56 I C 2.529 178.636 176.117 -0.016 0.000 1.081 56 I CA 1.016 62.303 61.300 -0.023 0.000 1.353 56 I CB -0.264 37.720 38.000 -0.026 0.000 1.054 56 I HN 0.090 nan 8.210 nan 0.000 0.407 57 A N 0.733 123.547 122.820 -0.010 0.000 1.898 57 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 57 A C 2.372 179.955 177.584 -0.002 0.000 1.181 57 A CA 1.451 53.484 52.037 -0.005 0.000 0.620 57 A CB -0.573 18.426 19.000 -0.002 0.000 0.819 57 A HN 0.288 nan 8.150 nan 0.000 0.442 58 R N -0.523 119.977 120.500 -0.001 0.000 2.083 58 R HA -0.104 4.236 4.340 -0.000 0.000 0.237 58 R C 2.466 178.766 176.300 0.000 0.000 1.137 58 R CA 1.352 57.454 56.100 0.004 0.000 0.951 58 R CB -0.468 29.836 30.300 0.007 0.000 0.851 58 R HN 0.512 nan 8.270 nan 0.000 0.434 59 A N 0.982 123.796 122.820 -0.010 0.000 1.930 59 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 59 A C 2.333 179.904 177.584 -0.022 0.000 1.175 59 A CA 1.529 53.553 52.037 -0.022 0.000 0.627 59 A CB -0.575 18.404 19.000 -0.035 0.000 0.815 59 A HN 0.405 nan 8.150 nan 0.000 0.443 60 A N -0.095 122.715 122.820 -0.017 0.000 1.933 60 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 60 A C 1.932 179.517 177.584 0.002 0.000 1.175 60 A CA 1.642 53.672 52.037 -0.012 0.000 0.628 60 A CB -0.463 18.531 19.000 -0.010 0.000 0.814 60 A HN 0.640 nan 8.150 nan 0.000 0.444 61 E N -0.478 119.726 120.200 0.008 0.000 2.072 61 E HA -0.088 4.262 4.350 -0.000 0.000 0.190 61 E C 1.970 178.590 176.600 0.032 0.000 0.982 61 E CA 1.133 57.544 56.400 0.018 0.000 0.803 61 E CB -0.217 29.493 29.700 0.016 0.000 0.755 61 E HN 0.385 nan 8.360 nan 0.000 0.453 62 V N 1.578 121.511 119.914 0.032 0.000 2.407 62 V HA -0.256 3.863 4.120 -0.000 0.000 0.248 62 V C 2.332 178.477 176.094 0.086 0.000 1.055 62 V CA 1.906 64.239 62.300 0.055 0.000 1.049 62 V CB -0.425 31.420 31.823 0.037 0.000 0.662 62 V HN 0.287 nan 8.190 nan 0.000 0.455 63 E N -0.009 120.216 120.200 0.042 0.000 2.038 63 E HA -0.305 4.045 4.350 -0.000 0.000 0.195 63 E C 2.291 178.961 176.600 0.117 0.000 1.000 63 E CA 1.797 58.225 56.400 0.047 0.000 0.803 63 E CB -0.137 29.548 29.700 -0.024 0.000 0.750 63 E HN 0.675 nan 8.360 nan 0.000 0.448 64 Q N -0.153 119.690 119.800 0.071 0.000 2.112 64 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 64 Q C 2.357 178.404 176.000 0.078 0.000 0.987 64 Q CA 1.740 57.580 55.803 0.063 0.000 0.858 64 Q CB -0.126 28.633 28.738 0.036 0.000 0.905 64 Q HN 0.235 nan 8.270 nan 0.000 0.420 65 R N -0.886 119.668 120.500 0.090 0.000 2.090 65 R HA -0.135 4.205 4.340 -0.000 0.000 0.228 65 R C 1.883 178.242 176.300 0.099 0.000 1.110 65 R CA 1.168 57.313 56.100 0.076 0.000 0.973 65 R CB -0.329 30.013 30.300 0.070 0.000 0.869 65 R HN 0.370 nan 8.270 nan 0.000 0.440 66 W N 1.104 122.390 121.300 -0.024 0.000 2.335 66 W HA -0.217 4.443 4.660 -0.000 0.000 0.311 66 W C 1.857 178.355 176.519 -0.034 0.000 1.213 66 W CA 1.335 58.663 57.345 -0.029 0.000 1.274 66 W CB -0.154 29.286 29.460 -0.034 0.000 1.148 66 W HN -0.237 nan 8.180 nan 0.000 0.498 67 V N 0.886 120.963 119.914 0.271 0.000 2.307 67 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 67 V C 2.491 178.562 176.094 -0.038 0.000 1.045 67 V CA 2.021 64.398 62.300 0.128 0.000 1.024 67 V CB -1.682 30.232 31.823 0.153 0.000 0.651 67 V HN 0.309 nan 8.190 nan 0.000 0.449 68 A N -0.057 122.752 122.820 -0.019 0.000 1.892 68 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 68 A C 2.192 179.718 177.584 -0.097 0.000 1.188 68 A CA 2.401 54.410 52.037 -0.046 0.000 0.631 68 A CB -0.662 18.324 19.000 -0.022 0.000 0.822 68 A HN 0.451 nan 8.150 nan 0.000 0.447 69 L N -0.443 120.693 121.223 -0.146 0.000 2.017 69 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 69 L C 2.757 179.470 176.870 -0.263 0.000 1.073 69 L CA 2.224 56.943 54.840 -0.202 0.000 0.745 69 L CB -0.868 41.035 42.059 -0.260 0.000 0.894 69 L HN 0.366 nan 8.230 nan 0.000 0.432 70 A N -0.436 122.144 122.820 -0.399 0.000 1.865 70 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 70 A C 2.450 179.915 177.584 -0.199 0.000 1.191 70 A CA 2.176 53.980 52.037 -0.389 0.000 0.623 70 A CB -1.329 17.343 19.000 -0.546 0.000 0.826 70 A HN 0.576 nan 8.150 nan 0.000 0.444 71 A N -1.082 121.652 122.820 -0.144 0.000 1.933 71 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 71 A C 2.201 179.731 177.584 -0.090 0.000 1.175 71 A CA 1.813 53.794 52.037 -0.092 0.000 0.628 71 A CB -0.606 18.358 19.000 -0.061 0.000 0.814 71 A HN 0.686 nan 8.150 nan 0.000 0.444 72 Q N -0.568 119.177 119.800 -0.092 0.000 2.061 72 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 72 Q C 2.089 178.039 176.000 -0.084 0.000 0.984 72 Q CA 1.877 57.634 55.803 -0.076 0.000 0.846 72 Q CB -0.542 28.157 28.738 -0.067 0.000 0.902 72 Q HN 0.595 nan 8.270 nan 0.000 0.421 73 G N -0.065 108.683 108.800 -0.087 0.000 2.418 73 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 73 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 73 G C 1.442 176.224 174.900 -0.197 0.000 1.158 73 G CA 0.920 45.984 45.100 -0.060 0.000 0.771 73 G HN 0.301 nan 8.290 nan 0.000 0.545 74 V N 0.655 120.482 119.914 -0.145 0.000 2.295 74 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 74 V C 2.809 178.810 176.094 -0.156 0.000 1.049 74 V CA 2.239 64.455 62.300 -0.140 0.000 1.024 74 V CB -0.455 31.316 31.823 -0.086 0.000 0.648 74 V HN 0.427 nan 8.190 nan 0.000 0.447 75 R N 0.033 120.456 120.500 -0.128 0.000 2.073 75 R HA -0.216 4.124 4.340 -0.000 0.000 0.234 75 R C 2.279 178.493 176.300 -0.144 0.000 1.134 75 R CA 2.166 58.199 56.100 -0.110 0.000 0.952 75 R CB -0.246 30.007 30.300 -0.078 0.000 0.850 75 R HN 0.641 nan 8.270 nan 0.000 0.433 76 E N 0.452 120.538 120.200 -0.189 0.000 2.058 76 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 76 E C 1.999 178.404 176.600 -0.326 0.000 0.997 76 E CA 1.420 57.688 56.400 -0.220 0.000 0.801 76 E CB -0.219 29.369 29.700 -0.188 0.000 0.746 76 E HN 0.213 nan 8.360 nan 0.000 0.450 77 L N 0.953 121.853 121.223 -0.540 0.000 2.012 77 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 77 L C 2.059 178.809 176.870 -0.199 0.000 1.073 77 L CA 1.619 56.199 54.840 -0.433 0.000 0.748 77 L CB -0.318 41.493 42.059 -0.414 0.000 0.891 77 L HN 0.123 nan 8.230 nan 0.000 0.431 78 L N -1.382 119.744 121.223 -0.162 0.000 2.046 78 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 78 L C 2.513 179.336 176.870 -0.079 0.000 1.077 78 L CA 1.235 56.015 54.840 -0.100 0.000 0.747 78 L CB -0.541 41.468 42.059 -0.083 0.000 0.896 78 L HN 0.302 nan 8.230 nan 0.000 0.432 79 L N -0.786 120.386 121.223 -0.084 0.000 2.046 79 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 79 L C 2.636 179.478 176.870 -0.048 0.000 1.077 79 L CA 1.386 56.191 54.840 -0.058 0.000 0.747 79 L CB -0.481 41.545 42.059 -0.054 0.000 0.896 79 L HN 0.318 nan 8.230 nan 0.000 0.432 80 Q N -0.699 119.066 119.800 -0.058 0.000 2.224 80 Q HA -0.169 4.171 4.340 -0.000 0.000 0.203 80 Q C 1.686 177.671 176.000 -0.026 0.000 0.970 80 Q CA 0.856 56.640 55.803 -0.032 0.000 0.865 80 Q CB 0.111 28.837 28.738 -0.020 0.000 0.922 80 Q HN 0.445 nan 8.270 nan 0.000 0.445 81 Q N -0.025 119.752 119.800 -0.038 0.000 2.280 81 Q HA 0.039 4.379 4.340 -0.000 0.000 0.201 81 Q C -0.379 175.606 176.000 -0.025 0.000 0.890 81 Q CA 0.153 55.939 55.803 -0.029 0.000 0.947 81 Q CB 0.671 29.388 28.738 -0.036 0.000 1.081 81 Q HN 0.387 nan 8.270 nan 0.000 0.502 82 Q N 0.583 120.367 119.800 -0.027 0.000 2.435 82 Q HA -0.195 4.145 4.340 -0.000 0.000 0.312 82 Q C -0.266 175.719 176.000 -0.026 0.000 1.333 82 Q CA 0.711 56.500 55.803 -0.024 0.000 0.883 82 Q CB -1.901 26.828 28.738 -0.016 0.000 1.170 82 Q HN 0.456 nan 8.270 nan 0.000 0.443 83 M N -2.164 117.416 119.600 -0.034 0.000 2.530 83 M HA 0.692 5.172 4.480 -0.000 0.000 0.307 83 M C -0.004 176.274 176.300 -0.038 0.000 1.161 83 M CA -0.914 54.365 55.300 -0.034 0.000 0.903 83 M CB 2.124 34.703 32.600 -0.036 0.000 1.711 83 M HN 0.071 nan 8.290 nan 0.000 0.451 84 S N 0.503 116.183 115.700 -0.034 0.000 2.652 84 S HA 0.540 5.010 4.470 -0.000 0.000 0.270 84 S C -2.213 172.365 174.600 -0.037 0.000 1.243 84 S CA -1.056 57.124 58.200 -0.034 0.000 0.999 84 S CB 0.820 64.004 63.200 -0.028 0.000 0.973 84 S HN 0.618 nan 8.310 nan 0.000 0.544 85 P HA 0.008 nan 4.420 nan 0.000 0.218 85 P C 1.258 178.538 177.300 -0.033 0.000 1.148 85 P CA 1.945 65.025 63.100 -0.033 0.000 0.822 85 P CB -0.593 31.091 31.700 -0.027 0.000 0.784 86 D N -0.227 120.155 120.400 -0.031 0.000 2.350 86 D HA -0.154 4.486 4.640 -0.000 0.000 0.216 86 D C 1.588 177.862 176.300 -0.043 0.000 0.968 86 D CA 0.804 54.785 54.000 -0.032 0.000 0.894 86 D CB -0.844 39.941 40.800 -0.025 0.000 0.909 86 D HN 0.400 nan 8.370 nan 0.000 0.520 87 E N -0.733 119.438 120.200 -0.049 0.000 2.442 87 E HA 0.163 4.513 4.350 -0.000 0.000 0.195 87 E C 0.252 176.797 176.600 -0.092 0.000 1.030 87 E CA -0.150 56.212 56.400 -0.063 0.000 0.869 87 E CB 1.095 30.764 29.700 -0.052 0.000 0.857 87 E HN 0.410 nan 8.360 nan 0.000 0.505 88 V N 1.938 121.800 119.914 -0.087 0.000 2.432 88 V HA 0.131 4.251 4.120 -0.000 0.000 0.275 88 V C 1.240 177.251 176.094 -0.137 0.000 1.043 88 V CA -0.153 62.076 62.300 -0.117 0.000 0.925 88 V CB 1.500 33.284 31.823 -0.065 0.000 0.985 88 V HN 0.115 nan 8.190 nan 0.000 0.466 89 R N 3.062 123.400 120.500 -0.270 0.000 2.066 89 R HA 0.168 4.507 4.340 -0.000 0.000 0.232 89 R C 0.586 176.862 176.300 -0.040 0.000 1.131 89 R CA 1.486 57.454 56.100 -0.220 0.000 0.955 89 R CB 0.173 30.203 30.300 -0.451 0.000 0.851 89 R HN 0.866 nan 8.270 nan 0.000 0.432 90 A N -0.480 122.360 122.820 0.034 0.000 2.601 90 A HA 0.470 4.790 4.320 -0.000 0.000 0.291 90 A C -1.366 176.351 177.584 0.221 0.000 1.075 90 A CA -0.788 51.354 52.037 0.175 0.000 0.671 90 A CB 1.012 20.171 19.000 0.265 0.000 1.277 90 A HN 0.154 nan 8.150 nan 0.000 0.417 91 I N 1.538 122.211 120.570 0.170 0.000 2.331 91 I HA 0.451 4.621 4.170 -0.000 0.000 0.292 91 I C 0.958 177.213 176.117 0.231 0.000 0.998 91 I CA -0.322 61.083 61.300 0.175 0.000 1.267 91 I CB 1.705 39.772 38.000 0.112 0.000 1.386 91 I HN 0.755 nan 8.210 nan 0.000 0.476 92 G N 3.913 112.883 108.800 0.284 0.000 2.356 92 G HA2 0.303 4.263 3.960 -0.000 0.000 0.300 92 G HA3 0.303 4.263 3.960 -0.000 0.000 0.300 92 G C -0.377 174.776 174.900 0.421 0.000 1.107 92 G CA -0.175 45.174 45.100 0.415 0.000 0.960 92 G HN 0.519 nan 8.290 nan 0.000 0.418 93 S N 1.521 117.501 115.700 0.466 0.000 2.474 93 S HA 0.216 4.686 4.470 -0.000 0.000 0.321 93 S C 0.907 175.707 174.600 0.334 0.000 1.080 93 S CA -0.671 57.725 58.200 0.328 0.000 1.106 93 S CB 0.878 64.203 63.200 0.208 0.000 0.984 93 S HN 0.752 nan 8.310 nan 0.000 0.464 94 H N 4.789 123.832 119.070 -0.045 0.000 2.495 94 H HA 0.295 4.851 4.556 -0.000 0.000 0.287 94 H C 1.231 176.449 175.328 -0.184 0.000 1.033 94 H CA 1.735 57.550 56.048 -0.388 0.000 1.307 94 H CB -0.392 28.739 29.762 -1.051 0.000 1.401 94 H HN 1.031 nan 8.280 nan 0.000 0.555 95 G N 0.026 108.631 108.800 -0.325 0.000 2.598 95 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 95 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 95 G C -0.769 173.589 174.900 -0.904 0.000 1.302 95 G CA 0.065 44.725 45.100 -0.733 0.000 0.903 95 G HN 0.705 nan 8.290 nan 0.000 0.575 96 Q N -0.357 118.854 119.800 -0.983 0.000 2.309 96 Q HA 0.637 4.976 4.340 -0.000 0.000 0.270 96 Q C -0.037 175.718 176.000 -0.408 0.000 1.023 96 Q CA -0.007 55.411 55.803 -0.641 0.000 0.758 96 Q CB 1.295 29.538 28.738 -0.825 0.000 1.247 96 Q HN 0.778 nan 8.270 nan 0.000 0.455 97 T N 5.508 119.927 114.554 -0.225 0.000 2.834 97 T HA 0.231 4.581 4.350 -0.000 0.000 0.298 97 T C 1.091 175.760 174.700 -0.052 0.000 0.966 97 T CA 0.112 62.151 62.100 -0.101 0.000 1.141 97 T CB 0.015 68.887 68.868 0.006 0.000 0.905 97 T HN 0.696 nan 8.240 nan 0.000 0.535 98 I N -0.235 120.314 120.570 -0.034 0.000 4.181 98 I HA 0.583 4.753 4.170 -0.000 0.000 0.331 98 I C 0.490 176.639 176.117 0.053 0.000 1.312 98 I CA -0.428 60.873 61.300 0.001 0.000 1.146 98 I CB 0.452 38.439 38.000 -0.022 0.000 1.074 98 I HN 0.259 nan 8.210 nan 0.000 0.402 99 R N 0.872 121.425 120.500 0.089 0.000 2.678 99 R HA 0.355 4.695 4.340 -0.000 0.000 0.267 99 R C -1.854 174.535 176.300 0.149 0.000 1.173 99 R CA -0.455 55.725 56.100 0.133 0.000 1.061 99 R CB 0.582 31.020 30.300 0.231 0.000 1.262 99 R HN 0.315 nan 8.270 nan 0.000 0.427 100 H N 2.273 121.298 119.070 -0.076 0.000 2.860 100 H HA 0.453 5.009 4.556 -0.000 0.000 0.312 100 H C -1.123 174.028 175.328 -0.295 0.000 0.995 100 H CA -0.380 55.580 56.048 -0.147 0.000 1.311 100 H CB 1.143 30.840 29.762 -0.108 0.000 1.478 100 H HN 0.456 nan 8.280 nan 0.000 0.508 101 E N 6.930 126.628 120.200 -0.837 0.000 3.374 101 E HA 0.130 4.480 4.350 -0.000 0.000 0.223 101 E C -2.252 173.866 176.600 -0.804 0.000 1.210 101 E CA -1.624 54.244 56.400 -0.887 0.000 0.987 101 E CB 1.494 30.442 29.700 -1.253 0.000 1.322 101 E HN 0.615 nan 8.360 nan 0.000 0.404 102 P HA -0.118 nan 4.420 nan 0.000 0.222 102 P C 1.172 178.235 177.300 -0.396 0.000 1.147 102 P CA 0.780 63.617 63.100 -0.438 0.000 0.790 102 P CB 0.326 31.827 31.700 -0.331 0.000 0.780 103 A N 0.295 122.871 122.820 -0.407 0.000 2.066 103 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 103 A C 2.084 179.347 177.584 -0.536 0.000 1.157 103 A CA 0.796 52.595 52.037 -0.396 0.000 0.670 103 A CB -0.776 18.068 19.000 -0.260 0.000 0.804 103 A HN 0.136 nan 8.150 nan 0.000 0.453 104 R N -1.136 119.059 120.500 -0.508 0.000 2.427 104 R HA 0.134 4.474 4.340 -0.000 0.000 0.262 104 R C -0.476 175.719 176.300 -0.174 0.000 0.943 104 R CA 0.015 55.921 56.100 -0.325 0.000 1.081 104 R CB 0.057 30.276 30.300 -0.136 0.000 1.166 104 R HN 0.613 nan 8.270 nan 0.000 0.534 105 H N -0.610 118.412 119.070 -0.080 0.000 2.839 105 H HA -0.191 4.365 4.556 -0.000 0.000 0.298 105 H C -0.754 174.644 175.328 0.116 0.000 1.224 105 H CA 1.293 57.344 56.048 0.004 0.000 1.144 105 H CB -2.441 27.351 29.762 0.050 0.000 1.372 105 H HN 0.330 nan 8.280 nan 0.000 0.408 106 F N -1.999 117.946 119.950 -0.008 0.000 2.654 106 F HA 0.698 5.225 4.527 -0.000 0.000 0.308 106 F C -0.712 175.067 175.800 -0.034 0.000 1.108 106 F CA -0.749 57.251 58.000 0.001 0.000 0.957 106 F CB 2.193 41.197 39.000 0.008 0.000 1.309 106 F HN -0.013 nan 8.300 nan 0.000 0.446 107 T N 1.938 116.665 114.554 0.288 0.000 2.993 107 T HA 0.658 5.008 4.350 -0.000 0.000 0.312 107 T C -2.203 172.656 174.700 0.264 0.000 1.115 107 T CA -0.495 61.756 62.100 0.251 0.000 1.027 107 T CB 1.582 70.638 68.868 0.313 0.000 1.116 107 T HN 0.759 nan 8.240 nan 0.000 0.464 108 V N 5.145 125.190 119.914 0.218 0.000 2.409 108 V HA 0.541 4.661 4.120 -0.000 0.000 0.290 108 V C -0.768 175.331 176.094 0.009 0.000 1.017 108 V CA -0.756 61.611 62.300 0.111 0.000 0.841 108 V CB 1.372 33.266 31.823 0.117 0.000 1.003 108 V HN 0.805 nan 8.190 nan 0.000 0.426 109 Q N 4.184 123.946 119.800 -0.064 0.000 2.331 109 Q HA 0.671 5.010 4.340 -0.000 0.000 0.267 109 Q C -0.302 175.553 176.000 -0.241 0.000 1.006 109 Q CA -0.249 55.431 55.803 -0.204 0.000 0.818 109 Q CB 2.380 30.958 28.738 -0.267 0.000 1.276 109 Q HN 0.851 nan 8.270 nan 0.000 0.450 110 I N -2.005 118.371 120.570 -0.324 0.000 2.918 110 I HA 0.957 5.127 4.170 -0.000 0.000 0.316 110 I C 0.550 176.358 176.117 -0.514 0.000 1.001 110 I CA -0.865 60.239 61.300 -0.327 0.000 1.142 110 I CB 1.539 39.383 38.000 -0.261 0.000 1.356 110 I HN 0.620 nan 8.210 nan 0.000 0.524 111 G N 2.016 110.589 108.800 -0.378 0.000 2.507 111 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.225 111 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.225 111 G C -0.072 174.748 174.900 -0.133 0.000 1.078 111 G CA -0.455 44.438 45.100 -0.345 0.000 0.939 111 G HN 0.877 nan 8.290 nan 0.000 0.538 112 N N 0.621 119.242 118.700 -0.131 0.000 3.054 112 N HA -0.130 4.610 4.740 -0.000 0.000 0.305 112 N C -0.587 174.794 175.510 -0.215 0.000 1.084 112 N CA 0.685 53.651 53.050 -0.141 0.000 0.842 112 N CB 0.413 38.864 38.487 -0.060 0.000 0.953 112 N HN 0.300 nan 8.380 nan 0.000 0.625 113 P HA -0.104 nan 4.420 nan 0.000 0.218 113 P C 1.036 178.008 177.300 -0.548 0.000 1.148 113 P CA 1.684 64.411 63.100 -0.622 0.000 0.822 113 P CB 0.053 31.028 31.700 -1.208 0.000 0.784 114 A N -0.418 122.104 122.820 -0.496 0.000 1.902 114 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 114 A C 2.111 179.681 177.584 -0.023 0.000 1.181 114 A CA 1.541 53.556 52.037 -0.038 0.000 0.623 114 A CB -1.638 17.439 19.000 0.130 0.000 0.818 114 A HN 0.183 nan 8.150 nan 0.000 0.443 115 L N -1.017 120.177 121.223 -0.048 0.000 2.156 115 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 115 L C 2.144 179.004 176.870 -0.017 0.000 1.095 115 L CA 1.576 56.405 54.840 -0.017 0.000 0.770 115 L CB -0.568 41.486 42.059 -0.008 0.000 0.914 115 L HN 0.324 nan 8.230 nan 0.000 0.439 116 L N -0.138 121.065 121.223 -0.034 0.000 2.046 116 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 116 L C 2.505 179.368 176.870 -0.011 0.000 1.077 116 L CA 2.012 56.843 54.840 -0.016 0.000 0.747 116 L CB -1.075 40.982 42.059 -0.003 0.000 0.896 116 L HN 0.287 nan 8.230 nan 0.000 0.432 117 A N -0.795 122.019 122.820 -0.011 0.000 1.902 117 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 117 A C 2.255 179.850 177.584 0.017 0.000 1.181 117 A CA 1.681 53.730 52.037 0.020 0.000 0.623 117 A CB -0.669 18.369 19.000 0.063 0.000 0.818 117 A HN 0.537 nan 8.150 nan 0.000 0.443 118 E N 0.268 120.477 120.200 0.015 0.000 2.077 118 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 118 E C 1.776 178.378 176.600 0.002 0.000 0.989 118 E CA 1.371 57.778 56.400 0.012 0.000 0.800 118 E CB -0.376 29.332 29.700 0.013 0.000 0.746 118 E HN 0.591 nan 8.360 nan 0.000 0.452 119 L N 0.074 121.295 121.223 -0.004 0.000 2.179 119 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 119 L C 2.416 179.276 176.870 -0.016 0.000 1.096 119 L CA 1.528 56.361 54.840 -0.012 0.000 0.779 119 L CB -0.506 41.543 42.059 -0.017 0.000 0.922 119 L HN 0.327 nan 8.230 nan 0.000 0.443 120 T N -4.501 110.045 114.554 -0.013 0.000 3.037 120 T HA 0.175 4.525 4.350 -0.000 0.000 0.252 120 T C 1.567 176.260 174.700 -0.013 0.000 1.073 120 T CA 0.510 62.599 62.100 -0.017 0.000 1.091 120 T CB 0.448 69.306 68.868 -0.016 0.000 0.935 120 T HN 0.382 nan 8.240 nan 0.000 0.488 121 G N 1.584 110.382 108.800 -0.004 0.000 2.166 121 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 121 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 121 G C -0.016 174.886 174.900 0.002 0.000 0.986 121 G CA 0.499 45.599 45.100 -0.001 0.000 0.683 121 G HN 0.688 nan 8.290 nan 0.000 0.527 122 I N 0.326 120.901 120.570 0.008 0.000 2.474 122 I HA 0.309 4.479 4.170 -0.000 0.000 0.294 122 I C -0.404 175.733 176.117 0.034 0.000 1.005 122 I CA -1.219 60.090 61.300 0.015 0.000 1.113 122 I CB 1.520 39.526 38.000 0.011 0.000 1.289 122 I HN -0.172 nan 8.210 nan 0.000 0.436 123 D N 4.359 124.784 120.400 0.043 0.000 2.525 123 D HA 0.134 4.774 4.640 -0.000 0.000 0.235 123 D C -0.456 175.887 176.300 0.071 0.000 1.137 123 D CA 0.454 54.491 54.000 0.061 0.000 0.868 123 D CB 1.036 41.877 40.800 0.068 0.000 1.180 123 D HN 0.011 nan 8.370 nan 0.000 0.465 124 V N 3.044 123.002 119.914 0.072 0.000 2.495 124 V HA 0.295 4.415 4.120 -0.000 0.000 0.298 124 V C 0.056 176.155 176.094 0.009 0.000 1.031 124 V CA -0.818 61.515 62.300 0.054 0.000 0.871 124 V CB 2.068 33.900 31.823 0.014 0.000 0.988 124 V HN 0.225 nan 8.190 nan 0.000 0.432 125 V N 4.450 124.351 119.914 -0.021 0.000 2.370 125 V HA 0.896 5.015 4.120 -0.000 0.000 0.283 125 V C 0.354 176.284 176.094 -0.272 0.000 1.023 125 V CA -0.027 62.133 62.300 -0.234 0.000 0.857 125 V CB 1.074 32.772 31.823 -0.207 0.000 0.985 125 V HN 1.067 nan 8.190 nan 0.000 0.443 126 A N 3.180 125.710 122.820 -0.484 0.000 2.524 126 A HA 0.791 5.111 4.320 -0.000 0.000 0.289 126 A C -0.068 177.165 177.584 -0.585 0.000 1.248 126 A CA -0.282 51.482 52.037 -0.454 0.000 0.712 126 A CB 1.067 19.937 19.000 -0.217 0.000 1.312 126 A HN 0.786 nan 8.150 nan 0.000 0.441 127 D N -1.706 118.526 120.400 -0.280 0.000 2.718 127 D HA -0.151 4.489 4.640 -0.000 0.000 0.242 127 D C 0.043 176.292 176.300 -0.084 0.000 1.123 127 D CA 1.067 54.993 54.000 -0.122 0.000 0.690 127 D CB -1.585 39.172 40.800 -0.072 0.000 1.059 127 D HN 0.435 nan 8.370 nan 0.000 0.429 128 F N 0.076 120.131 119.950 0.175 0.000 2.206 128 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 128 F C 2.449 178.366 175.800 0.195 0.000 1.090 128 F CA 1.026 59.157 58.000 0.219 0.000 1.323 128 F CB -0.128 39.080 39.000 0.346 0.000 1.028 128 F HN 0.087 nan 8.300 nan 0.000 0.492 129 R N -0.249 120.476 120.500 0.374 0.000 2.236 129 R HA -0.009 4.331 4.340 -0.000 0.000 0.208 129 R C 2.012 178.439 176.300 0.211 0.000 1.036 129 R CA 0.473 56.745 56.100 0.287 0.000 1.001 129 R CB -0.301 30.167 30.300 0.280 0.000 0.896 129 R HN 0.194 nan 8.270 nan 0.000 0.464 130 R N 0.768 121.373 120.500 0.174 0.000 2.090 130 R HA -0.059 4.281 4.340 -0.000 0.000 0.228 130 R C 2.227 178.601 176.300 0.122 0.000 1.110 130 R CA 1.083 57.266 56.100 0.137 0.000 0.973 130 R CB -0.007 30.355 30.300 0.104 0.000 0.869 130 R HN -0.080 nan 8.270 nan 0.000 0.440 131 R N 0.667 121.240 120.500 0.123 0.000 2.092 131 R HA -0.116 4.224 4.340 -0.000 0.000 0.231 131 R C 1.475 177.838 176.300 0.105 0.000 1.119 131 R CA 2.129 58.292 56.100 0.105 0.000 0.970 131 R CB -0.637 29.727 30.300 0.108 0.000 0.864 131 R HN 0.246 nan 8.270 nan 0.000 0.440 132 D N -1.123 119.354 120.400 0.127 0.000 2.117 132 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 132 D C 1.673 178.038 176.300 0.109 0.000 0.987 132 D CA 1.613 55.683 54.000 0.116 0.000 0.829 132 D CB 0.165 41.045 40.800 0.133 0.000 0.961 132 D HN 0.096 nan 8.370 nan 0.000 0.460 133 V N 0.728 120.716 119.914 0.123 0.000 2.343 133 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 133 V C 2.530 178.687 176.094 0.105 0.000 1.051 133 V CA 1.716 64.087 62.300 0.118 0.000 1.036 133 V CB -0.936 30.963 31.823 0.128 0.000 0.654 133 V HN 0.355 nan 8.190 nan 0.000 0.451 134 A N -0.004 122.871 122.820 0.091 0.000 1.972 134 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 134 A C 2.108 179.718 177.584 0.042 0.000 1.169 134 A CA 1.713 53.787 52.037 0.062 0.000 0.635 134 A CB -0.497 18.538 19.000 0.057 0.000 0.810 134 A HN 0.623 nan 8.150 nan 0.000 0.446 135 A N -1.651 121.201 122.820 0.053 0.000 2.370 135 A HA 0.452 4.772 4.320 -0.000 0.000 0.238 135 A C 1.511 179.122 177.584 0.044 0.000 1.289 135 A CA 0.940 53.002 52.037 0.041 0.000 0.885 135 A CB -1.083 17.945 19.000 0.045 0.000 0.961 135 A HN 1.847 nan 8.150 nan 0.000 0.499 136 G N -1.922 106.911 108.800 0.055 0.000 2.141 136 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.242 136 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.242 136 G C 0.639 175.586 174.900 0.078 0.000 0.982 136 G CA 0.224 45.364 45.100 0.066 0.000 0.662 136 G HN 1.340 nan 8.290 nan 0.000 0.527 137 G N -1.588 107.261 108.800 0.081 0.000 2.531 137 G HA2 0.542 4.502 3.960 -0.000 0.000 0.313 137 G HA3 0.542 4.502 3.960 -0.000 0.000 0.313 137 G C 0.697 175.648 174.900 0.083 0.000 1.238 137 G CA 0.066 45.214 45.100 0.079 0.000 0.994 137 G HN 0.099 nan 8.290 nan 0.000 0.493 138 Q N -0.549 119.304 119.800 0.090 0.000 2.389 138 Q HA 0.087 4.427 4.340 -0.000 0.000 0.204 138 Q C 1.873 177.992 176.000 0.198 0.000 0.944 138 Q CA 0.864 56.731 55.803 0.105 0.000 0.908 138 Q CB 0.482 29.293 28.738 0.122 0.000 1.002 138 Q HN 1.159 nan 8.270 nan 0.000 0.493 139 G N 0.862 109.770 108.800 0.179 0.000 2.166 139 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.260 139 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.260 139 G C 0.180 175.194 174.900 0.190 0.000 0.986 139 G CA 0.558 45.786 45.100 0.213 0.000 0.683 139 G HN 0.699 nan 8.290 nan 0.000 0.527 140 A N -1.171 121.738 122.820 0.149 0.000 2.594 140 A HA 0.793 5.113 4.320 -0.000 0.000 0.296 140 A C -3.093 174.539 177.584 0.079 0.000 1.056 140 A CA -0.771 51.312 52.037 0.076 0.000 0.693 140 A CB 1.360 20.340 19.000 -0.032 0.000 1.278 140 A HN 0.106 nan 8.150 nan 0.000 0.408 141 P HA 0.439 nan 4.420 nan 0.000 0.274 141 P C 0.319 177.620 177.300 0.002 0.000 1.231 141 P CA -0.260 62.840 63.100 0.000 0.000 0.790 141 P CB 0.656 32.324 31.700 -0.054 0.000 0.951 142 L N 1.461 122.681 121.223 -0.006 0.000 2.609 142 L HA 0.012 4.352 4.340 -0.000 0.000 0.230 142 L C 1.964 178.775 176.870 -0.099 0.000 1.087 142 L CA 0.320 55.138 54.840 -0.036 0.000 0.874 142 L CB -0.159 41.877 42.059 -0.038 0.000 1.114 142 L HN 0.192 nan 8.230 nan 0.000 0.488 143 V N -2.783 117.074 119.914 -0.094 0.000 2.867 143 V HA -0.049 4.071 4.120 -0.000 0.000 0.260 143 V C -0.551 175.525 176.094 -0.029 0.000 1.099 143 V CA 0.705 62.992 62.300 -0.020 0.000 1.122 143 V CB -1.891 29.987 31.823 0.092 0.000 0.708 143 V HN 0.245 nan 8.190 nan 0.000 0.490 144 P HA -0.080 nan 4.420 nan 0.000 0.216 144 P C 1.951 179.217 177.300 -0.057 0.000 1.150 144 P CA 2.294 65.299 63.100 -0.158 0.000 0.837 144 P CB -0.181 31.442 31.700 -0.129 0.000 0.786 145 A N -1.469 121.345 122.820 -0.009 0.000 1.972 145 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 145 A C 2.045 179.455 177.584 -0.290 0.000 1.169 145 A CA 1.266 53.313 52.037 0.017 0.000 0.635 145 A CB -1.695 17.457 19.000 0.253 0.000 0.810 145 A HN 0.134 nan 8.150 nan 0.000 0.446 146 F N 0.323 119.890 119.950 -0.638 0.000 2.128 146 F HA -0.072 4.455 4.527 -0.000 0.000 0.295 146 F C 2.378 177.793 175.800 -0.641 0.000 1.100 146 F CA 1.689 59.026 58.000 -1.106 0.000 1.260 146 F CB -0.690 37.839 39.000 -0.786 0.000 1.009 146 F HN 0.405 nan 8.300 nan 0.000 0.476 147 H N -0.813 117.946 119.070 -0.518 0.000 2.353 147 H HA -0.236 4.320 4.556 -0.000 0.000 0.298 147 H C 2.118 177.212 175.328 -0.390 0.000 1.103 147 H CA 1.705 57.493 56.048 -0.434 0.000 1.293 147 H CB -0.293 29.379 29.762 -0.150 0.000 1.372 147 H HN 0.313 nan 8.280 nan 0.000 0.501 148 Q N 1.339 121.038 119.800 -0.169 0.000 2.050 148 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 148 Q C 2.407 178.266 176.000 -0.235 0.000 0.980 148 Q CA 1.880 57.598 55.803 -0.142 0.000 0.840 148 Q CB -0.436 28.254 28.738 -0.079 0.000 0.898 148 Q HN 0.379 nan 8.270 nan 0.000 0.424 149 A N 0.045 122.647 122.820 -0.363 0.000 2.019 149 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 149 A C 2.105 179.397 177.584 -0.486 0.000 1.164 149 A CA 1.292 53.118 52.037 -0.352 0.000 0.644 149 A CB -0.546 18.238 19.000 -0.361 0.000 0.805 149 A HN 0.478 nan 8.150 nan 0.000 0.449 150 L N -2.762 117.969 121.223 -0.819 0.000 2.162 150 L HA 0.067 4.407 4.340 -0.000 0.000 0.205 150 L C 1.131 177.486 176.870 -0.858 0.000 1.086 150 L CA 0.976 55.176 54.840 -1.068 0.000 0.778 150 L CB -0.004 40.956 42.059 -1.833 0.000 0.928 150 L HN 0.441 nan 8.230 nan 0.000 0.446 151 F N -1.215 118.565 119.950 -0.284 0.000 2.838 151 F HA 0.332 4.859 4.527 -0.000 0.000 0.329 151 F C 1.333 177.048 175.800 -0.142 0.000 1.116 151 F CA -0.803 57.074 58.000 -0.205 0.000 1.155 151 F CB -0.631 38.216 39.000 -0.254 0.000 1.106 151 F HN -0.176 nan 8.300 nan 0.000 0.538 157 S N 4.799 120.491 115.700 -0.014 0.000 2.415 157 S HA 0.657 5.127 4.470 -0.000 0.000 0.313 157 S C -0.088 174.489 174.600 -0.039 0.000 1.067 157 S CA -0.797 57.390 58.200 -0.021 0.000 1.099 157 S CB 0.129 63.320 63.200 -0.015 0.000 0.991 157 S HN 0.713 nan 8.310 nan 0.000 0.491 158 R N 1.908 122.375 120.500 -0.054 0.000 2.604 158 R HA 0.747 5.087 4.340 -0.000 0.000 0.287 158 R C -0.549 175.695 176.300 -0.095 0.000 0.970 158 R CA -0.622 55.422 56.100 -0.095 0.000 0.946 158 R CB 1.976 32.194 30.300 -0.136 0.000 1.127 158 R HN 0.761 nan 8.270 nan 0.000 0.473 159 A N 2.404 125.153 122.820 -0.117 0.000 2.303 159 A HA 0.515 4.835 4.320 -0.000 0.000 0.320 159 A C -0.653 176.845 177.584 -0.143 0.000 1.192 159 A CA -0.641 51.325 52.037 -0.118 0.000 0.821 159 A CB 1.227 20.165 19.000 -0.104 0.000 1.188 159 A HN 0.434 nan 8.150 nan 0.000 0.492 160 V N 3.474 123.329 119.914 -0.099 0.000 2.347 160 V HA 0.404 4.524 4.120 -0.000 0.000 0.280 160 V C -0.547 175.526 176.094 -0.035 0.000 1.021 160 V CA -0.399 61.883 62.300 -0.031 0.000 0.847 160 V CB 0.994 32.973 31.823 0.260 0.000 0.990 160 V HN 0.765 nan 8.190 nan 0.000 0.444 161 L N 5.229 126.418 121.223 -0.056 0.000 2.298 161 L HA 0.590 4.930 4.340 -0.000 0.000 0.284 161 L C -0.279 176.569 176.870 -0.037 0.000 1.013 161 L CA -0.103 54.693 54.840 -0.072 0.000 0.824 161 L CB 1.354 43.359 42.059 -0.090 0.000 1.221 161 L HN 0.704 nan 8.230 nan 0.000 0.418 162 N N 5.190 123.876 118.700 -0.024 0.000 2.434 162 N HA 0.458 5.198 4.740 -0.000 0.000 0.272 162 N C -1.172 174.313 175.510 -0.041 0.000 1.040 162 N CA -0.230 52.814 53.050 -0.010 0.000 0.956 162 N CB 0.732 39.239 38.487 0.034 0.000 1.108 162 N HN 0.612 nan 8.380 nan 0.000 0.481 163 I N 3.200 123.724 120.570 -0.076 0.000 2.460 163 I HA 0.388 4.558 4.170 -0.000 0.000 0.277 163 I C 0.945 177.003 176.117 -0.098 0.000 1.057 163 I CA -0.638 60.611 61.300 -0.085 0.000 1.179 163 I CB 1.094 39.028 38.000 -0.110 0.000 1.329 163 I HN 0.632 nan 8.210 nan 0.000 0.478 164 G N 3.016 111.782 108.800 -0.055 0.000 3.227 164 G HA2 0.343 4.303 3.960 -0.000 0.000 0.171 164 G HA3 0.343 4.303 3.960 -0.000 0.000 0.171 164 G C 1.117 175.965 174.900 -0.087 0.000 1.463 164 G CA 0.330 45.399 45.100 -0.051 0.000 1.016 164 G HN 0.516 nan 8.290 nan 0.000 0.594 165 G N -0.718 108.037 108.800 -0.074 0.000 2.422 165 G HA2 0.105 4.065 3.960 -0.000 0.000 0.218 165 G HA3 0.105 4.065 3.960 -0.000 0.000 0.218 165 G C 0.175 174.722 174.900 -0.589 0.000 1.146 165 G CA 0.445 45.387 45.100 -0.264 0.000 0.769 165 G HN 0.220 nan 8.290 nan 0.000 0.547 166 F N -0.370 119.549 119.950 -0.050 0.000 2.579 166 F HA 0.590 5.117 4.527 -0.000 0.000 0.324 166 F C 0.065 175.832 175.800 -0.056 0.000 1.058 166 F CA -0.965 56.993 58.000 -0.071 0.000 0.944 166 F CB 2.245 41.204 39.000 -0.068 0.000 1.245 166 F HN -0.231 nan 8.300 nan 0.000 0.477 167 S N 2.223 118.000 115.700 0.128 0.000 2.489 167 S HA 0.536 5.005 4.470 -0.000 0.000 0.291 167 S C -0.881 173.765 174.600 0.076 0.000 1.151 167 S CA -0.918 57.318 58.200 0.059 0.000 1.082 167 S CB 0.821 64.038 63.200 0.029 0.000 1.019 167 S HN 0.627 nan 8.310 nan 0.000 0.492 168 N N 0.391 119.092 118.700 0.002 0.000 2.284 168 N HA 0.586 5.326 4.740 -0.000 0.000 0.289 168 N C -1.760 173.644 175.510 -0.176 0.000 1.179 168 N CA -0.662 52.348 53.050 -0.067 0.000 0.774 168 N CB 1.837 40.288 38.487 -0.060 0.000 1.548 168 N HN 0.410 nan 8.380 nan 0.000 0.473 169 V N -0.008 119.706 119.914 -0.334 0.000 2.735 169 V HA 0.589 4.709 4.120 -0.000 0.000 0.310 169 V C -0.861 174.982 176.094 -0.418 0.000 1.061 169 V CA -0.411 61.669 62.300 -0.367 0.000 0.913 169 V CB 2.023 33.610 31.823 -0.394 0.000 1.005 169 V HN 0.842 nan 8.190 nan 0.000 0.428 170 S N 6.942 122.449 115.700 -0.322 0.000 2.566 170 S HA 0.594 5.064 4.470 -0.000 0.000 0.324 170 S C -0.642 173.855 174.600 -0.172 0.000 1.081 170 S CA -0.389 57.651 58.200 -0.268 0.000 1.105 170 S CB 0.848 63.870 63.200 -0.296 0.000 0.981 170 S HN 0.579 nan 8.310 nan 0.000 0.464 171 L N 4.198 125.328 121.223 -0.154 0.000 2.261 171 L HA 0.417 4.757 4.340 -0.000 0.000 0.289 171 L C -0.409 176.428 176.870 -0.055 0.000 1.059 171 L CA -0.274 54.511 54.840 -0.093 0.000 0.816 171 L CB 0.300 42.321 42.059 -0.062 0.000 1.191 171 L HN 0.474 nan 8.230 nan 0.000 0.431 172 L N 3.901 125.097 121.223 -0.045 0.000 2.494 172 L HA 0.286 4.626 4.340 -0.000 0.000 0.251 172 L C -0.086 176.773 176.870 -0.019 0.000 1.119 172 L CA -0.208 54.615 54.840 -0.027 0.000 1.026 172 L CB 0.237 42.285 42.059 -0.019 0.000 1.370 172 L HN 0.599 nan 8.230 nan 0.000 0.426 173 S N 1.220 116.913 115.700 -0.012 0.000 2.422 173 S HA 0.481 4.951 4.470 -0.000 0.000 0.298 173 S C -2.387 172.212 174.600 -0.002 0.000 1.118 173 S CA -1.610 56.587 58.200 -0.006 0.000 1.083 173 S CB 0.718 63.917 63.200 -0.001 0.000 0.971 173 S HN 0.205 nan 8.310 nan 0.000 0.478 174 P HA 0.200 nan 4.420 nan 0.000 0.264 174 P C 1.005 178.307 177.300 0.003 0.000 1.183 174 P CA 0.988 64.089 63.100 0.002 0.000 0.763 174 P CB 0.033 31.734 31.700 0.002 0.000 0.807 175 G N -0.075 108.728 108.800 0.005 0.000 2.221 175 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.265 175 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.265 175 G C 0.130 175.034 174.900 0.007 0.000 1.041 175 G CA 0.469 45.572 45.100 0.006 0.000 0.807 175 G HN 0.880 nan 8.290 nan 0.000 0.502 176 K N -0.802 119.602 120.400 0.007 0.000 2.512 176 K HA 0.912 5.232 4.320 -0.000 0.000 0.263 176 K C -2.588 174.018 176.600 0.010 0.000 0.966 176 K CA -0.880 55.413 56.287 0.009 0.000 0.851 176 K CB 0.653 33.158 32.500 0.009 0.000 1.395 176 K HN 0.193 nan 8.250 nan 0.000 0.440 177 P HA 0.265 nan 4.420 nan 0.000 0.269 177 P C -0.408 176.899 177.300 0.011 0.000 1.209 177 P CA -0.633 62.476 63.100 0.014 0.000 0.776 177 P CB 0.632 32.343 31.700 0.018 0.000 0.876 178 V N 3.955 123.873 119.914 0.007 0.000 2.540 178 V HA 0.009 4.129 4.120 -0.000 0.000 0.297 178 V C 1.064 177.159 176.094 0.001 0.000 1.024 178 V CA 0.628 62.925 62.300 -0.005 0.000 1.105 178 V CB -0.548 31.267 31.823 -0.013 0.000 0.938 178 V HN 0.500 nan 8.190 nan 0.000 0.482 179 R N 2.384 122.882 120.500 -0.003 0.000 2.856 179 R HA 0.883 5.223 4.340 -0.000 0.000 0.258 179 R C 0.149 176.425 176.300 -0.039 0.000 1.066 179 R CA -0.173 55.941 56.100 0.022 0.000 1.045 179 R CB 2.140 32.481 30.300 0.069 0.000 1.178 179 R HN 0.968 nan 8.270 nan 0.000 0.499 180 G N 0.328 109.126 108.800 -0.004 0.000 2.316 180 G HA2 0.431 4.391 3.960 -0.000 0.000 0.296 180 G HA3 0.431 4.391 3.960 -0.000 0.000 0.296 180 G C -1.807 173.077 174.900 -0.025 0.000 1.399 180 G CA -0.814 44.140 45.100 -0.243 0.000 0.833 180 G HN 0.529 nan 8.290 nan 0.000 0.565 181 F N -2.191 117.751 119.950 -0.013 0.000 2.890 181 F HA 0.527 5.054 4.527 -0.000 0.000 0.326 181 F C -1.539 174.291 175.800 0.050 0.000 1.143 181 F CA -1.480 56.530 58.000 0.017 0.000 0.906 181 F CB 0.555 39.556 39.000 0.002 0.000 1.303 181 F HN 0.380 nan 8.300 nan 0.000 0.447 182 D N 1.229 121.839 120.400 0.349 0.000 2.343 182 D HA 0.240 4.880 4.640 -0.000 0.000 0.255 182 D C 0.653 177.282 176.300 0.549 0.000 1.187 182 D CA -0.091 54.108 54.000 0.333 0.000 0.875 182 D CB 1.554 42.525 40.800 0.285 0.000 1.136 182 D HN 0.753 nan 8.370 nan 0.000 0.469 183 C N 2.330 121.878 119.300 0.414 0.000 2.457 183 C HA 0.338 4.798 4.460 -0.000 0.000 0.278 183 C C 1.509 176.833 174.990 0.557 0.000 1.309 183 C CA 0.444 59.747 59.018 0.475 0.000 1.735 183 C CB -0.945 26.964 27.740 0.282 0.000 1.992 183 C HN 0.866 nan 8.230 nan 0.000 0.493 184 G N 0.146 109.169 108.800 0.372 0.000 2.366 184 G HA2 0.175 4.135 3.960 -0.000 0.000 0.190 184 G HA3 0.175 4.135 3.960 -0.000 0.000 0.190 184 G C -3.128 171.742 174.900 -0.050 0.000 1.299 184 G CA -0.566 44.603 45.100 0.116 0.000 1.056 184 G HN -0.014 nan 8.290 nan 0.000 0.468 185 P HA 0.326 nan 4.420 nan 0.000 0.268 185 P C 0.544 177.701 177.300 -0.237 0.000 1.204 185 P CA 1.100 63.944 63.100 -0.428 0.000 0.768 185 P CB 1.394 32.782 31.700 -0.520 0.000 0.842 186 G N 3.056 111.690 108.800 -0.276 0.000 2.766 186 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.206 186 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.206 186 G C 0.908 175.704 174.900 -0.174 0.000 2.072 186 G CA -0.131 44.865 45.100 -0.173 0.000 0.798 186 G HN 0.432 nan 8.290 nan 0.000 0.703 187 N N 0.600 119.196 118.700 -0.173 0.000 2.412 187 N HA -0.028 4.712 4.740 -0.000 0.000 0.184 187 N C 2.009 177.446 175.510 -0.121 0.000 1.101 187 N CA 0.173 53.159 53.050 -0.106 0.000 0.881 187 N CB 0.964 39.407 38.487 -0.073 0.000 0.969 187 N HN 0.127 nan 8.380 nan 0.000 0.459 188 V N 1.524 121.267 119.914 -0.286 0.000 2.287 188 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 188 V C 2.075 178.119 176.094 -0.083 0.000 1.053 188 V CA 1.562 63.687 62.300 -0.291 0.000 1.027 188 V CB -0.173 31.222 31.823 -0.714 0.000 0.646 188 V HN 0.183 nan 8.190 nan 0.000 0.447 189 L N -1.345 119.846 121.223 -0.053 0.000 2.095 189 L HA -0.107 4.233 4.340 -0.000 0.000 0.204 189 L C 2.579 179.559 176.870 0.183 0.000 1.080 189 L CA 1.661 56.560 54.840 0.099 0.000 0.759 189 L CB -0.447 41.678 42.059 0.109 0.000 0.914 189 L HN 0.284 nan 8.230 nan 0.000 0.439 190 M N -0.355 119.326 119.600 0.135 0.000 2.202 190 M HA -0.219 4.261 4.480 -0.000 0.000 0.262 190 M C 1.614 178.087 176.300 0.288 0.000 1.063 190 M CA 1.467 56.901 55.300 0.223 0.000 1.097 190 M CB -0.482 32.212 32.600 0.156 0.000 1.382 190 M HN 0.232 nan 8.290 nan 0.000 0.413 191 D N 0.549 121.072 120.400 0.204 0.000 2.091 191 D HA -0.040 4.600 4.640 -0.000 0.000 0.199 191 D C 2.063 178.502 176.300 0.231 0.000 0.980 191 D CA 1.608 55.731 54.000 0.204 0.000 0.831 191 D CB -0.321 40.549 40.800 0.116 0.000 0.987 191 D HN 0.292 nan 8.370 nan 0.000 0.460 192 A N 0.881 123.835 122.820 0.223 0.000 1.917 192 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 192 A C 2.159 179.979 177.584 0.394 0.000 1.182 192 A CA 1.346 53.548 52.037 0.276 0.000 0.633 192 A CB -1.142 18.009 19.000 0.250 0.000 0.819 192 A HN 0.470 nan 8.150 nan 0.000 0.448 193 W N -0.253 121.182 121.300 0.226 0.000 2.407 193 W HA -0.046 4.614 4.660 -0.000 0.000 0.305 193 W C 1.849 178.577 176.519 0.350 0.000 1.196 193 W CA 1.268 58.779 57.345 0.277 0.000 1.311 193 W CB -0.151 29.458 29.460 0.248 0.000 1.135 193 W HN 0.319 nan 8.180 nan 0.000 0.514 194 I N 0.585 121.385 120.570 0.383 0.000 3.083 194 I HA -0.288 3.881 4.170 -0.000 0.000 0.273 194 I C 2.172 178.292 176.117 0.004 0.000 1.297 194 I CA 1.381 62.760 61.300 0.130 0.000 1.452 194 I CB -0.358 37.762 38.000 0.199 0.000 1.078 194 I HN 0.010 nan 8.210 nan 0.000 0.484 195 H N -0.892 118.180 119.070 0.004 0.000 2.418 195 H HA -0.150 4.406 4.556 -0.000 0.000 0.300 195 H C 2.157 177.446 175.328 -0.066 0.000 1.041 195 H CA 1.851 57.881 56.048 -0.030 0.000 1.364 195 H CB -0.117 29.641 29.762 -0.007 0.000 1.439 195 H HN 0.433 nan 8.280 nan 0.000 0.540 196 H N -0.786 118.184 119.070 -0.167 0.000 2.421 196 H HA -0.084 4.472 4.556 -0.000 0.000 0.298 196 H C 2.144 177.240 175.328 -0.386 0.000 1.087 196 H CA 2.089 57.980 56.048 -0.262 0.000 1.330 196 H CB 0.334 29.994 29.762 -0.170 0.000 1.388 196 H HN 0.360 nan 8.280 nan 0.000 0.526 197 Q N 0.172 119.685 119.800 -0.479 0.000 2.123 197 Q HA 0.187 4.526 4.340 -0.000 0.000 0.193 197 Q C 1.533 177.288 176.000 -0.409 0.000 0.981 197 Q CA 0.915 56.414 55.803 -0.506 0.000 0.833 197 Q CB 0.397 28.805 28.738 -0.550 0.000 0.914 197 Q HN 0.352 nan 8.270 nan 0.000 0.484 198 R N -0.641 119.617 120.500 -0.404 0.000 2.388 198 R HA 0.281 4.621 4.340 -0.000 0.000 0.247 198 R C 0.675 176.817 176.300 -0.263 0.000 0.931 198 R CA 0.535 56.417 56.100 -0.364 0.000 1.082 198 R CB 0.602 30.598 30.300 -0.508 0.000 1.135 198 R HN 0.559 nan 8.270 nan 0.000 0.525 199 G N 1.354 109.991 108.800 -0.271 0.000 2.322 199 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.264 199 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.264 199 G C 0.328 175.286 174.900 0.098 0.000 0.992 199 G CA 0.553 45.532 45.100 -0.202 0.000 0.624 199 G HN 0.375 nan 8.290 nan 0.000 0.543 200 E N -0.446 119.773 120.200 0.032 0.000 2.447 200 E HA 0.128 4.478 4.350 -0.000 0.000 0.259 200 E C 0.973 177.764 176.600 0.317 0.000 1.196 200 E CA 0.170 56.622 56.400 0.086 0.000 0.995 200 E CB 0.186 29.823 29.700 -0.104 0.000 0.974 200 E HN 0.625 nan 8.360 nan 0.000 0.465 201 H N -0.738 118.324 119.070 -0.013 0.000 2.557 201 H HA 0.089 4.645 4.556 -0.000 0.000 0.281 201 H C 0.230 175.686 175.328 0.214 0.000 0.990 201 H CA 0.302 56.393 56.048 0.071 0.000 1.278 201 H CB 0.609 30.432 29.762 0.102 0.000 1.451 201 H HN 0.360 nan 8.280 nan 0.000 0.516 202 F N -1.194 118.860 119.950 0.173 0.000 2.686 202 F HA 0.300 4.827 4.527 -0.000 0.000 0.311 202 F C -1.470 174.407 175.800 0.128 0.000 1.128 202 F CA -1.559 56.521 58.000 0.135 0.000 0.946 202 F CB 1.126 40.195 39.000 0.115 0.000 1.336 202 F HN -0.338 nan 8.300 nan 0.000 0.457 203 D N 2.159 122.785 120.400 0.378 0.000 2.468 203 D HA 0.151 4.791 4.640 -0.000 0.000 0.218 203 D C -0.062 176.447 176.300 0.349 0.000 1.155 203 D CA -0.198 53.979 54.000 0.295 0.000 0.924 203 D CB 0.397 41.419 40.800 0.371 0.000 1.029 203 D HN 0.732 nan 8.370 nan 0.000 0.515 204 R N 2.967 123.598 120.500 0.219 0.000 2.537 204 R HA -0.048 4.292 4.340 -0.000 0.000 0.281 204 R C 0.036 176.470 176.300 0.223 0.000 0.988 204 R CA 0.528 56.804 56.100 0.294 0.000 1.077 204 R CB 0.102 30.470 30.300 0.113 0.000 0.932 204 R HN 0.477 nan 8.270 nan 0.000 0.409 205 D N 2.461 122.995 120.400 0.223 0.000 3.068 205 D HA -0.216 4.424 4.640 -0.000 0.000 0.219 205 D C 0.638 177.021 176.300 0.139 0.000 1.175 205 D CA 1.703 55.794 54.000 0.152 0.000 0.942 205 D CB -0.760 40.106 40.800 0.110 0.000 1.127 205 D HN 1.010 nan 8.370 nan 0.000 0.404 206 G N -1.080 107.824 108.800 0.174 0.000 2.249 206 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.273 206 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.273 206 G C 1.074 176.063 174.900 0.148 0.000 1.036 206 G CA 0.751 45.946 45.100 0.157 0.000 0.824 206 G HN 0.944 nan 8.290 nan 0.000 0.504 207 A N -1.258 121.664 122.820 0.170 0.000 1.968 207 A HA 0.202 4.522 4.320 -0.000 0.000 0.217 207 A C 1.945 179.663 177.584 0.223 0.000 1.169 207 A CA 1.849 53.980 52.037 0.157 0.000 0.638 207 A CB -0.383 18.696 19.000 0.131 0.000 0.812 207 A HN 1.005 nan 8.150 nan 0.000 0.446 208 W N 0.760 122.095 121.300 0.059 0.000 2.407 208 W HA 0.020 4.680 4.660 -0.000 0.000 0.305 208 W C 2.441 179.005 176.519 0.075 0.000 1.196 208 W CA 1.331 58.715 57.345 0.065 0.000 1.311 208 W CB -0.478 29.027 29.460 0.076 0.000 1.135 208 W HN 0.325 nan 8.180 nan 0.000 0.514 209 A N 0.598 123.455 122.820 0.063 0.000 1.902 209 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 209 A C 2.129 179.672 177.584 -0.069 0.000 1.181 209 A CA 2.654 54.636 52.037 -0.091 0.000 0.623 209 A CB -1.450 17.546 19.000 -0.007 0.000 0.818 209 A HN 0.335 nan 8.150 nan 0.000 0.443 210 A N 0.285 123.109 122.820 0.008 0.000 1.972 210 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 210 A C 2.394 179.978 177.584 -0.000 0.000 1.169 210 A CA 2.181 54.224 52.037 0.010 0.000 0.635 210 A CB -0.878 18.146 19.000 0.041 0.000 0.810 210 A HN 1.084 nan 8.150 nan 0.000 0.446 211 S N -0.962 114.742 115.700 0.007 0.000 2.561 211 S HA 0.322 4.792 4.470 -0.000 0.000 0.225 211 S C 1.000 175.574 174.600 -0.043 0.000 0.977 211 S CA 0.434 58.642 58.200 0.013 0.000 0.926 211 S CB -0.485 62.768 63.200 0.089 0.000 0.769 211 S HN 0.711 nan 8.310 nan 0.000 0.533 212 G N 0.130 108.865 108.800 -0.109 0.000 2.601 212 G HA2 0.613 4.573 3.960 -0.000 0.000 0.317 212 G HA3 0.613 4.573 3.960 -0.000 0.000 0.317 212 G C -1.211 173.637 174.900 -0.086 0.000 1.246 212 G CA -0.753 44.267 45.100 -0.133 0.000 1.012 212 G HN 0.224 nan 8.290 nan 0.000 0.494 213 Q N -0.133 119.621 119.800 -0.076 0.000 2.340 213 Q HA 0.375 4.715 4.340 -0.000 0.000 0.268 213 Q C -0.304 175.661 176.000 -0.058 0.000 1.031 213 Q CA -0.773 55.003 55.803 -0.045 0.000 0.804 213 Q CB 2.260 30.989 28.738 -0.016 0.000 1.286 213 Q HN 0.288 nan 8.270 nan 0.000 0.448 214 V N 2.896 122.779 119.914 -0.053 0.000 2.599 214 V HA -0.027 4.092 4.120 -0.000 0.000 0.300 214 V C 0.746 176.817 176.094 -0.039 0.000 1.034 214 V CA -0.007 62.236 62.300 -0.097 0.000 1.115 214 V CB 0.206 31.929 31.823 -0.166 0.000 0.934 214 V HN 0.647 nan 8.190 nan 0.000 0.485 215 N N 3.117 121.769 118.700 -0.080 0.000 2.485 215 N HA 0.175 4.915 4.740 -0.000 0.000 0.243 215 N C 0.666 176.152 175.510 -0.040 0.000 0.987 215 N CA -0.342 52.696 53.050 -0.019 0.000 0.940 215 N CB 0.778 39.236 38.487 -0.049 0.000 1.122 215 N HN 0.662 nan 8.380 nan 0.000 0.509 216 H N 2.406 121.448 119.070 -0.045 0.000 2.457 216 H HA -0.002 4.554 4.556 -0.000 0.000 0.294 216 H C 1.762 177.070 175.328 -0.032 0.000 1.064 216 H CA 1.898 57.923 56.048 -0.039 0.000 1.330 216 H CB 0.418 30.161 29.762 -0.031 0.000 1.395 216 H HN 0.722 nan 8.280 nan 0.000 0.541 217 A N 0.417 123.282 122.820 0.074 0.000 1.898 217 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 217 A C 2.222 179.808 177.584 0.003 0.000 1.181 217 A CA 1.297 53.353 52.037 0.032 0.000 0.620 217 A CB -0.664 18.346 19.000 0.018 0.000 0.819 217 A HN 0.336 nan 8.150 nan 0.000 0.442 218 L N -0.610 120.597 121.223 -0.026 0.000 2.027 218 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 218 L C 2.256 179.088 176.870 -0.063 0.000 1.074 218 L CA 2.045 56.853 54.840 -0.054 0.000 0.745 218 L CB -0.776 41.224 42.059 -0.099 0.000 0.898 218 L HN 0.359 nan 8.230 nan 0.000 0.433 219 L N 0.164 121.331 121.223 -0.093 0.000 1.990 219 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 219 L C 2.491 179.324 176.870 -0.063 0.000 1.072 219 L CA 2.366 57.137 54.840 -0.115 0.000 0.755 219 L CB -1.243 40.693 42.059 -0.206 0.000 0.889 219 L HN 0.299 nan 8.230 nan 0.000 0.432 220 A N -1.772 121.032 122.820 -0.027 0.000 1.933 220 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 220 A C 2.523 180.138 177.584 0.052 0.000 1.175 220 A CA 1.857 53.900 52.037 0.011 0.000 0.628 220 A CB -1.067 17.950 19.000 0.029 0.000 0.814 220 A HN 0.573 nan 8.150 nan 0.000 0.444 221 S N -0.532 115.204 115.700 0.061 0.000 2.383 221 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 221 S C 1.905 176.620 174.600 0.192 0.000 1.026 221 S CA 1.351 59.631 58.200 0.133 0.000 0.981 221 S CB -0.445 62.838 63.200 0.139 0.000 0.818 221 S HN 0.501 nan 8.310 nan 0.000 0.472 222 L N 0.749 122.007 121.223 0.058 0.000 2.072 222 L HA 0.029 4.369 4.340 -0.000 0.000 0.205 222 L C 2.404 179.471 176.870 0.329 0.000 1.079 222 L CA 0.865 55.739 54.840 0.057 0.000 0.752 222 L CB -0.535 41.534 42.059 0.017 0.000 0.906 222 L HN 0.303 nan 8.230 nan 0.000 0.436 223 L N 0.066 121.361 121.223 0.119 0.000 2.191 223 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 223 L C 2.502 179.538 176.870 0.275 0.000 1.103 223 L CA 0.848 55.691 54.840 0.005 0.000 0.769 223 L CB -0.548 41.442 42.059 -0.114 0.000 0.908 223 L HN 0.240 nan 8.230 nan 0.000 0.438 224 A N -0.970 122.013 122.820 0.272 0.000 2.252 224 A HA -0.089 4.231 4.320 -0.000 0.000 0.207 224 A C 0.564 178.353 177.584 0.341 0.000 1.194 224 A CA -0.039 52.153 52.037 0.259 0.000 0.809 224 A CB -0.706 18.399 19.000 0.175 0.000 0.814 224 A HN 0.357 nan 8.150 nan 0.000 0.482 225 D N 0.021 120.734 120.400 0.522 0.000 2.414 225 D HA 0.115 4.755 4.640 -0.000 0.000 0.242 225 D C 1.451 177.935 176.300 0.306 0.000 1.129 225 D CA 0.526 54.802 54.000 0.461 0.000 0.885 225 D CB 0.680 41.835 40.800 0.591 0.000 1.198 225 D HN 0.521 nan 8.370 nan 0.000 0.437 226 E N 2.541 122.846 120.200 0.174 0.000 2.209 226 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 226 E C 1.648 178.279 176.600 0.051 0.000 0.993 226 E CA 0.759 57.218 56.400 0.098 0.000 0.819 226 E CB -0.401 29.334 29.700 0.058 0.000 0.745 226 E HN 0.636 nan 8.360 nan 0.000 0.477 227 F N 0.942 120.795 119.950 -0.162 0.000 2.216 227 F HA -0.074 4.453 4.527 -0.000 0.000 0.300 227 F C 1.446 177.155 175.800 -0.151 0.000 1.085 227 F CA 1.138 59.001 58.000 -0.229 0.000 1.326 227 F CB -0.026 38.747 39.000 -0.379 0.000 1.027 227 F HN -0.096 nan 8.300 nan 0.000 0.497 228 F N 0.319 120.382 119.950 0.188 0.000 2.325 228 F HA 0.042 4.569 4.527 -0.000 0.000 0.299 228 F C 2.480 178.238 175.800 -0.071 0.000 1.090 228 F CA 0.836 58.884 58.000 0.081 0.000 1.392 228 F CB -1.409 37.702 39.000 0.184 0.000 1.053 228 F HN 0.052 nan 8.300 nan 0.000 0.521 229 A N -0.037 122.839 122.820 0.093 0.000 2.072 229 A HA 0.414 4.734 4.320 -0.000 0.000 0.216 229 A C 1.541 179.066 177.584 -0.098 0.000 1.156 229 A CA 0.540 52.585 52.037 0.013 0.000 0.701 229 A CB -0.956 18.067 19.000 0.037 0.000 0.816 229 A HN 0.138 nan 8.150 nan 0.000 0.458 230 A N 0.452 123.154 122.820 -0.198 0.000 2.425 230 A HA 0.568 4.888 4.320 -0.000 0.000 0.249 230 A C 0.445 177.831 177.584 -0.331 0.000 1.084 230 A CA -0.295 51.587 52.037 -0.258 0.000 0.781 230 A CB 0.206 19.016 19.000 -0.316 0.000 1.019 230 A HN 0.519 nan 8.150 nan 0.000 0.490 231 R N 0.811 121.145 120.500 -0.276 0.000 2.854 231 R HA 0.693 5.033 4.340 -0.000 0.000 0.271 231 R C 0.563 176.693 176.300 -0.283 0.000 0.996 231 R CA 0.047 55.953 56.100 -0.323 0.000 0.961 231 R CB 1.668 31.837 30.300 -0.218 0.000 1.182 231 R HN 1.645 nan 8.270 nan 0.000 0.479 232 G N 1.563 110.170 108.800 -0.321 0.000 2.553 232 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.242 232 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.242 232 G C -2.511 172.332 174.900 -0.094 0.000 1.277 232 G CA -1.036 43.973 45.100 -0.151 0.000 0.910 232 G HN 0.430 nan 8.290 nan 0.000 0.576 233 P HA 0.332 nan 4.420 nan 0.000 0.260 233 P C -0.301 177.009 177.300 0.017 0.000 1.207 233 P CA 0.978 64.108 63.100 0.049 0.000 0.780 233 P CB 0.062 31.787 31.700 0.042 0.000 0.789 234 K N 1.128 121.570 120.400 0.070 0.000 2.542 234 K HA 0.757 5.077 4.320 -0.000 0.000 0.259 234 K C -1.218 175.517 176.600 0.226 0.000 0.932 234 K CA -0.799 55.534 56.287 0.076 0.000 0.820 234 K CB 1.710 34.132 32.500 -0.130 0.000 1.345 234 K HN 0.281 nan 8.250 nan 0.000 0.432 235 S N 0.522 116.381 115.700 0.265 0.000 2.595 235 S HA 0.712 5.182 4.470 -0.000 0.000 0.281 235 S C -0.891 173.814 174.600 0.174 0.000 1.117 235 S CA -0.503 57.844 58.200 0.245 0.000 0.873 235 S CB 2.215 65.559 63.200 0.240 0.000 1.108 235 S HN 0.838 nan 8.310 nan 0.000 0.477 236 T N -0.489 114.018 114.554 -0.077 0.000 2.681 236 T HA 0.896 5.246 4.350 -0.000 0.000 0.296 236 T C -0.180 174.143 174.700 -0.628 0.000 1.157 236 T CA 0.137 62.014 62.100 -0.371 0.000 1.025 236 T CB 1.083 69.508 68.868 -0.737 0.000 1.441 236 T HN 1.727 nan 8.240 nan 0.000 0.504 237 G N 0.129 108.465 108.800 -0.774 0.000 2.490 237 G HA2 0.341 4.301 3.960 -0.000 0.000 0.308 237 G HA3 0.341 4.301 3.960 -0.000 0.000 0.308 237 G C -0.010 174.706 174.900 -0.306 0.000 1.286 237 G CA -0.591 43.969 45.100 -0.900 0.000 0.825 237 G HN 0.670 nan 8.290 nan 0.000 0.479 238 R N -0.067 120.472 120.500 0.065 0.000 2.249 238 R HA -0.060 4.280 4.340 -0.000 0.000 0.230 238 R C 1.981 178.319 176.300 0.064 0.000 1.121 238 R CA 1.504 57.733 56.100 0.215 0.000 0.997 238 R CB -0.011 30.398 30.300 0.181 0.000 0.867 238 R HN 0.523 nan 8.270 nan 0.000 0.465 239 E N 0.078 120.256 120.200 -0.037 0.000 2.153 239 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 239 E C 1.910 178.417 176.600 -0.154 0.000 0.988 239 E CA 1.131 57.483 56.400 -0.081 0.000 0.811 239 E CB 0.012 29.643 29.700 -0.114 0.000 0.746 239 E HN 0.244 nan 8.360 nan 0.000 0.466 240 R N -0.931 119.404 120.500 -0.275 0.000 2.119 240 R HA 0.142 4.482 4.340 -0.000 0.000 0.202 240 R C -0.221 175.577 176.300 -0.837 0.000 1.114 240 R CA 0.102 55.864 56.100 -0.563 0.000 1.089 240 R CB 0.259 30.087 30.300 -0.786 0.000 1.000 240 R HN 0.032 nan 8.270 nan 0.000 0.487 241 F N 2.787 122.490 119.950 -0.411 0.000 2.371 241 F HA 0.308 4.835 4.527 -0.000 0.000 0.363 241 F C -0.383 175.370 175.800 -0.077 0.000 1.122 241 F CA -0.613 57.115 58.000 -0.454 0.000 1.129 241 F CB 1.071 39.862 39.000 -0.348 0.000 1.173 241 F HN 0.266 nan 8.300 nan 0.000 0.489 242 N N 1.290 120.100 118.700 0.183 0.000 3.039 242 N HA 0.312 5.052 4.740 -0.000 0.000 0.257 242 N C 0.037 175.746 175.510 0.331 0.000 1.497 242 N CA -0.917 52.275 53.050 0.238 0.000 0.861 242 N CB 0.614 39.208 38.487 0.179 0.000 1.479 242 N HN 0.261 nan 8.380 nan 0.000 0.547 243 L N -0.025 121.359 121.223 0.268 0.000 1.989 243 L HA 0.168 4.508 4.340 -0.000 0.000 0.211 243 L C -1.112 175.897 176.870 0.232 0.000 1.071 243 L CA 2.126 57.123 54.840 0.262 0.000 0.749 243 L CB -1.448 40.746 42.059 0.226 0.000 0.890 243 L HN 0.648 nan 8.230 nan 0.000 0.431 244 P HA -0.194 nan 4.420 nan 0.000 0.221 244 P C 1.001 178.428 177.300 0.212 0.000 1.145 244 P CA 1.440 64.643 63.100 0.171 0.000 0.795 244 P CB -0.288 31.502 31.700 0.150 0.000 0.775 245 W N -0.084 121.263 121.300 0.079 0.000 2.453 245 W HA -0.019 4.641 4.660 -0.000 0.000 0.289 245 W C 1.825 178.424 176.519 0.132 0.000 1.215 245 W CA 0.471 57.871 57.345 0.092 0.000 1.297 245 W CB -0.792 28.695 29.460 0.045 0.000 1.113 245 W HN -0.187 nan 8.180 nan 0.000 0.551 246 L N 1.228 122.561 121.223 0.184 0.000 2.056 246 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 246 L C 2.344 179.149 176.870 -0.110 0.000 1.078 246 L CA 2.181 56.972 54.840 -0.082 0.000 0.749 246 L CB -1.194 40.909 42.059 0.074 0.000 0.901 246 L HN 0.112 nan 8.230 nan 0.000 0.433 247 Q N -0.408 119.389 119.800 -0.003 0.000 2.124 247 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 247 Q C 2.208 178.189 176.000 -0.032 0.000 0.977 247 Q CA 1.916 57.718 55.803 -0.001 0.000 0.850 247 Q CB -0.355 28.409 28.738 0.042 0.000 0.901 247 Q HN 0.775 nan 8.270 nan 0.000 0.429 248 E N 0.931 121.104 120.200 -0.044 0.000 2.171 248 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 248 E C 1.482 177.971 176.600 -0.185 0.000 0.997 248 E CA 1.628 57.970 56.400 -0.096 0.000 0.810 248 E CB -0.860 28.785 29.700 -0.092 0.000 0.738 248 E HN 0.545 nan 8.360 nan 0.000 0.467 249 H N -0.881 118.007 119.070 -0.305 0.000 2.415 249 H HA 0.209 4.764 4.556 -0.000 0.000 0.297 249 H C 2.409 177.615 175.328 -0.203 0.000 1.048 249 H CA 1.040 56.908 56.048 -0.301 0.000 1.365 249 H CB 0.258 29.744 29.762 -0.459 0.000 1.421 249 H HN 0.316 nan 8.280 nan 0.000 0.533 250 L N 0.845 122.024 121.223 -0.072 0.000 2.201 250 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 250 L C 1.672 178.514 176.870 -0.047 0.000 1.105 250 L CA 0.092 54.885 54.840 -0.079 0.000 0.775 250 L CB -0.325 41.677 42.059 -0.095 0.000 0.913 250 L HN 0.121 nan 8.230 nan 0.000 0.440 257 P HA 0.400 nan 4.420 nan 0.000 0.271 257 P C 0.428 177.805 177.300 0.128 0.000 1.220 257 P CA 0.078 63.236 63.100 0.096 0.000 0.768 257 P CB 1.103 32.835 31.700 0.054 0.000 0.848 258 A N 3.750 126.730 122.820 0.266 0.000 1.873 258 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 258 A C 2.146 179.781 177.584 0.085 0.000 1.193 258 A CA 2.265 54.590 52.037 0.480 0.000 0.629 258 A CB -1.552 17.846 19.000 0.664 0.000 0.826 258 A HN 0.591 nan 8.150 nan 0.000 0.447 259 A N -0.369 122.346 122.820 -0.174 0.000 1.978 259 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 259 A C 1.710 179.025 177.584 -0.448 0.000 1.170 259 A CA 2.115 53.722 52.037 -0.717 0.000 0.636 259 A CB -0.635 18.123 19.000 -0.404 0.000 0.810 259 A HN 0.505 nan 8.150 nan 0.000 0.448 260 D N -0.180 120.091 120.400 -0.215 0.000 2.149 260 D HA -0.060 4.580 4.640 -0.000 0.000 0.201 260 D C 1.745 177.918 176.300 -0.212 0.000 0.972 260 D CA 0.941 54.840 54.000 -0.168 0.000 0.835 260 D CB -0.308 40.439 40.800 -0.088 0.000 0.966 260 D HN 0.523 nan 8.370 nan 0.000 0.476 261 I N 0.380 120.805 120.570 -0.242 0.000 2.286 261 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 261 I C 2.351 178.219 176.117 -0.414 0.000 1.115 261 I CA 0.942 62.002 61.300 -0.401 0.000 1.392 261 I CB -0.074 37.511 38.000 -0.692 0.000 1.065 261 I HN -0.055 nan 8.210 nan 0.000 0.418 262 Q N 1.165 120.741 119.800 -0.372 0.000 2.079 262 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 262 Q C 2.226 178.103 176.000 -0.205 0.000 0.974 262 Q CA 2.162 57.808 55.803 -0.262 0.000 0.840 262 Q CB -0.330 28.107 28.738 -0.502 0.000 0.898 262 Q HN 0.487 nan 8.270 nan 0.000 0.430 263 A N -0.795 121.880 122.820 -0.241 0.000 1.940 263 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 263 A C 2.236 179.732 177.584 -0.148 0.000 1.176 263 A CA 2.046 53.984 52.037 -0.164 0.000 0.631 263 A CB -0.953 17.954 19.000 -0.154 0.000 0.814 263 A HN 0.507 nan 8.150 nan 0.000 0.446 264 T N 0.214 114.662 114.554 -0.177 0.000 2.857 264 T HA 0.018 4.368 4.350 -0.000 0.000 0.266 264 T C 1.780 176.390 174.700 -0.151 0.000 1.048 264 T CA 1.209 63.204 62.100 -0.176 0.000 1.139 264 T CB -0.298 68.454 68.868 -0.193 0.000 0.874 264 T HN 0.363 nan 8.240 nan 0.000 0.455 265 L N 0.554 121.690 121.223 -0.144 0.000 2.093 265 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 265 L C 2.437 179.265 176.870 -0.070 0.000 1.085 265 L CA 0.896 55.682 54.840 -0.090 0.000 0.755 265 L CB -0.516 41.506 42.059 -0.062 0.000 0.904 265 L HN 0.226 nan 8.230 nan 0.000 0.435 266 L N -0.200 120.983 121.223 -0.067 0.000 2.083 266 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 266 L C 2.534 179.360 176.870 -0.074 0.000 1.083 266 L CA 1.359 56.167 54.840 -0.052 0.000 0.752 266 L CB -0.059 41.979 42.059 -0.035 0.000 0.899 266 L HN 0.190 nan 8.230 nan 0.000 0.433 267 E N -0.162 119.980 120.200 -0.098 0.000 2.106 267 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 267 E C 1.951 178.474 176.600 -0.129 0.000 0.984 267 E CA 1.253 57.584 56.400 -0.115 0.000 0.806 267 E CB -0.327 29.284 29.700 -0.149 0.000 0.750 267 E HN 0.448 nan 8.360 nan 0.000 0.458 268 L N -0.057 121.086 121.223 -0.132 0.000 2.083 268 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 268 L C 2.059 178.833 176.870 -0.159 0.000 1.083 268 L CA 1.863 56.609 54.840 -0.156 0.000 0.752 268 L CB -0.668 41.330 42.059 -0.101 0.000 0.899 268 L HN 0.006 nan 8.230 nan 0.000 0.433 269 S N -0.257 115.375 115.700 -0.113 0.000 2.371 269 S HA -0.031 4.439 4.470 -0.000 0.000 0.224 269 S C 2.094 176.647 174.600 -0.080 0.000 1.029 269 S CA 0.924 59.066 58.200 -0.096 0.000 0.978 269 S CB -0.508 62.640 63.200 -0.086 0.000 0.833 269 S HN 0.679 nan 8.310 nan 0.000 0.466 270 A N 2.281 125.054 122.820 -0.079 0.000 1.877 270 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 270 A C 2.189 179.731 177.584 -0.070 0.000 1.186 270 A CA 1.159 53.156 52.037 -0.066 0.000 0.620 270 A CB -0.389 18.574 19.000 -0.062 0.000 0.822 270 A HN 0.269 nan 8.150 nan 0.000 0.443 271 R N 0.164 120.604 120.500 -0.100 0.000 2.073 271 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 271 R C 2.621 178.851 176.300 -0.117 0.000 1.120 271 R CA 1.637 57.671 56.100 -0.109 0.000 0.967 271 R CB -0.906 29.309 30.300 -0.141 0.000 0.862 271 R HN 0.734 nan 8.270 nan 0.000 0.436 272 S N 0.563 116.164 115.700 -0.166 0.000 2.402 272 S HA -0.050 4.419 4.470 -0.000 0.000 0.229 272 S C 2.145 176.769 174.600 0.039 0.000 1.021 272 S CA 0.698 58.820 58.200 -0.130 0.000 0.974 272 S CB -0.371 62.693 63.200 -0.225 0.000 0.800 272 S HN 0.173 nan 8.310 nan 0.000 0.484 273 I N 2.563 123.145 120.570 0.020 0.000 2.163 273 I HA -0.167 4.003 4.170 -0.000 0.000 0.240 273 I C 2.910 179.049 176.117 0.038 0.000 1.081 273 I CA 1.418 62.745 61.300 0.044 0.000 1.353 273 I CB -0.586 37.415 38.000 0.003 0.000 1.054 273 I HN 0.407 nan 8.210 nan 0.000 0.407 274 S N 0.535 116.237 115.700 0.003 0.000 2.356 274 S HA -0.216 4.254 4.470 -0.000 0.000 0.223 274 S C 1.830 176.442 174.600 0.020 0.000 1.032 274 S CA 1.323 59.524 58.200 0.003 0.000 1.005 274 S CB -0.637 62.554 63.200 -0.015 0.000 0.867 274 S HN 0.457 nan 8.310 nan 0.000 0.449 275 E N 1.605 121.813 120.200 0.013 0.000 2.072 275 E HA -0.102 4.247 4.350 -0.000 0.000 0.191 275 E C 2.531 179.163 176.600 0.052 0.000 0.985 275 E CA 1.332 57.742 56.400 0.017 0.000 0.801 275 E CB -0.235 29.458 29.700 -0.010 0.000 0.750 275 E HN 0.746 nan 8.360 nan 0.000 0.452 276 S N 0.793 116.553 115.700 0.100 0.000 2.402 276 S HA -0.125 4.345 4.470 -0.000 0.000 0.229 276 S C 2.032 176.806 174.600 0.291 0.000 1.021 276 S CA 0.532 58.838 58.200 0.177 0.000 0.974 276 S CB -0.310 63.071 63.200 0.302 0.000 0.800 276 S HN 0.215 nan 8.310 nan 0.000 0.484 277 L N 0.743 122.084 121.223 0.197 0.000 1.973 277 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 277 L C 2.529 179.455 176.870 0.093 0.000 1.073 277 L CA 1.407 56.324 54.840 0.129 0.000 0.746 277 L CB -0.330 41.752 42.059 0.038 0.000 0.891 277 L HN 0.308 nan 8.230 nan 0.000 0.433 278 L N -0.270 120.986 121.223 0.055 0.000 2.201 278 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 278 L C 2.128 179.019 176.870 0.036 0.000 1.105 278 L CA 1.252 56.112 54.840 0.033 0.000 0.775 278 L CB -0.632 41.436 42.059 0.016 0.000 0.913 278 L HN 0.439 nan 8.230 nan 0.000 0.440 279 D N 0.447 120.873 120.400 0.044 0.000 2.084 279 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 279 D C 2.096 178.418 176.300 0.038 0.000 0.990 279 D CA 1.554 55.571 54.000 0.027 0.000 0.826 279 D CB 0.140 40.945 40.800 0.009 0.000 0.971 279 D HN 0.220 nan 8.370 nan 0.000 0.453 280 A N -1.172 121.698 122.820 0.083 0.000 2.119 280 A HA 0.047 4.367 4.320 -0.000 0.000 0.216 280 A C 1.170 178.801 177.584 0.079 0.000 1.152 280 A CA 0.572 52.671 52.037 0.104 0.000 0.708 280 A CB -0.080 19.067 19.000 0.245 0.000 0.805 280 A HN 0.358 nan 8.150 nan 0.000 0.460 281 Q N -0.778 119.057 119.800 0.059 0.000 3.660 281 Q HA 0.192 4.532 4.340 -0.000 0.000 0.194 281 Q C -2.536 173.474 176.000 0.018 0.000 0.872 281 Q CA -1.283 54.539 55.803 0.031 0.000 0.756 281 Q CB 1.216 29.966 28.738 0.020 0.000 1.443 281 Q HN 0.171 nan 8.270 nan 0.000 0.460 282 P HA -0.047 nan 4.420 nan 0.000 0.219 282 P C 0.770 178.071 177.300 0.002 0.000 1.150 282 P CA 1.893 64.998 63.100 0.008 0.000 0.814 282 P CB 0.119 31.823 31.700 0.006 0.000 0.787 283 D N -1.010 119.390 120.400 0.001 0.000 2.378 283 D HA -0.090 4.550 4.640 -0.000 0.000 0.222 283 D C 0.712 177.008 176.300 -0.008 0.000 0.980 283 D CA 0.148 54.146 54.000 -0.003 0.000 0.907 283 D CB -1.395 39.404 40.800 -0.002 0.000 0.899 283 D HN 0.257 nan 8.370 nan 0.000 0.527 284 C N 1.412 120.706 119.300 -0.010 0.000 2.271 284 C HA 0.096 4.556 4.460 -0.000 0.000 0.397 284 C C 1.604 176.582 174.990 -0.021 0.000 1.533 284 C CA 0.608 59.614 59.018 -0.020 0.000 1.433 284 C CB -1.432 26.293 27.740 -0.024 0.000 2.511 284 C HN 0.587 nan 8.230 nan 0.000 0.610 285 E N 2.053 122.239 120.200 -0.024 0.000 2.307 285 E HA 0.089 4.439 4.350 -0.000 0.000 0.195 285 E C 0.345 176.930 176.600 -0.024 0.000 0.975 285 E CA 0.421 56.809 56.400 -0.019 0.000 0.878 285 E CB 0.363 30.055 29.700 -0.012 0.000 0.845 285 E HN 0.813 nan 8.360 nan 0.000 0.488 286 E N 0.616 120.790 120.200 -0.044 0.000 2.278 286 E HA 0.296 4.646 4.350 -0.000 0.000 0.272 286 E C -1.782 174.754 176.600 -0.108 0.000 0.890 286 E CA -0.451 55.911 56.400 -0.063 0.000 0.770 286 E CB 2.240 31.901 29.700 -0.065 0.000 1.212 286 E HN -0.180 nan 8.360 nan 0.000 0.415 287 V N 5.858 125.707 119.914 -0.108 0.000 2.326 287 V HA 0.306 4.426 4.120 -0.000 0.000 0.281 287 V C -0.379 175.609 176.094 -0.177 0.000 1.015 287 V CA -0.612 61.610 62.300 -0.130 0.000 0.823 287 V CB 1.052 32.823 31.823 -0.086 0.000 1.009 287 V HN 0.629 nan 8.190 nan 0.000 0.436 288 L N 5.963 127.021 121.223 -0.274 0.000 2.259 288 L HA 0.482 4.822 4.340 -0.000 0.000 0.288 288 L C -0.301 176.436 176.870 -0.222 0.000 1.051 288 L CA -0.520 54.102 54.840 -0.362 0.000 0.824 288 L CB 1.400 43.022 42.059 -0.728 0.000 1.206 288 L HN 0.342 nan 8.230 nan 0.000 0.429 289 V N 2.859 122.674 119.914 -0.165 0.000 2.432 289 V HA 0.337 4.457 4.120 -0.000 0.000 0.275 289 V C 0.467 176.474 176.094 -0.146 0.000 1.043 289 V CA -0.546 61.673 62.300 -0.135 0.000 0.925 289 V CB 1.111 32.859 31.823 -0.124 0.000 0.985 289 V HN 0.989 nan 8.190 nan 0.000 0.466 290 C N 2.114 121.337 119.300 -0.128 0.000 3.119 290 C HA 1.072 5.532 4.460 -0.000 0.000 0.359 290 C C 0.569 175.441 174.990 -0.197 0.000 1.486 290 C CA -0.411 58.515 59.018 -0.153 0.000 1.556 290 C CB 0.834 28.538 27.740 -0.060 0.000 2.063 290 C HN 1.802 nan 8.230 nan 0.000 0.454 291 G N -0.461 108.200 108.800 -0.232 0.000 2.814 291 G HA2 0.352 4.312 3.960 -0.000 0.000 0.677 291 G HA3 0.352 4.312 3.960 -0.000 0.000 0.677 291 G C 0.644 175.267 174.900 -0.462 0.000 1.429 291 G CA -0.112 44.838 45.100 -0.250 0.000 0.868 291 G HN 2.236 nan 8.290 nan 0.000 0.553 292 G N -0.309 108.263 108.800 -0.379 0.000 2.498 292 G HA2 0.252 4.212 3.960 -0.000 0.000 0.219 292 G HA3 0.252 4.212 3.960 -0.000 0.000 0.219 292 G C 1.841 176.505 174.900 -0.395 0.000 1.119 292 G CA 1.767 46.608 45.100 -0.433 0.000 0.766 292 G HN 1.882 nan 8.290 nan 0.000 0.552 293 G N 0.984 109.605 108.800 -0.297 0.000 2.448 293 G HA2 0.066 4.026 3.960 -0.000 0.000 0.219 293 G HA3 0.066 4.026 3.960 -0.000 0.000 0.219 293 G C 1.934 176.694 174.900 -0.232 0.000 1.127 293 G CA 1.214 46.191 45.100 -0.205 0.000 0.766 293 G HN 0.570 nan 8.290 nan 0.000 0.552 294 A N 0.400 122.984 122.820 -0.393 0.000 2.076 294 A HA 0.094 4.414 4.320 -0.000 0.000 0.220 294 A C 1.855 179.292 177.584 -0.245 0.000 1.160 294 A CA 1.157 52.973 52.037 -0.369 0.000 0.653 294 A CB -0.436 18.262 19.000 -0.503 0.000 0.801 294 A HN 0.312 nan 8.150 nan 0.000 0.455 295 F N -0.343 119.551 119.950 -0.095 0.000 2.743 295 F HA 0.161 4.688 4.527 -0.000 0.000 0.297 295 F C 1.043 176.819 175.800 -0.040 0.000 1.131 295 F CA -0.681 57.271 58.000 -0.080 0.000 1.426 295 F CB -0.547 38.382 39.000 -0.119 0.000 1.116 295 F HN 0.148 nan 8.300 nan 0.000 0.583 296 N N 1.415 120.168 118.700 0.088 0.000 2.466 296 N HA -0.042 4.698 4.740 -0.000 0.000 0.263 296 N C 1.190 176.734 175.510 0.056 0.000 1.178 296 N CA 0.477 53.574 53.050 0.077 0.000 0.983 296 N CB 0.496 39.010 38.487 0.044 0.000 1.331 296 N HN 0.247 nan 8.380 nan 0.000 0.500 297 T N 0.445 115.043 114.554 0.073 0.000 2.759 297 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 297 T C 1.831 176.552 174.700 0.035 0.000 1.042 297 T CA 1.184 63.315 62.100 0.051 0.000 1.140 297 T CB -0.174 68.726 68.868 0.054 0.000 0.864 297 T HN 0.382 nan 8.240 nan 0.000 0.455 298 A N 1.681 124.525 122.820 0.041 0.000 1.877 298 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 298 A C 2.322 179.913 177.584 0.011 0.000 1.186 298 A CA 1.594 53.648 52.037 0.028 0.000 0.620 298 A CB -0.947 18.077 19.000 0.039 0.000 0.822 298 A HN 0.444 nan 8.150 nan 0.000 0.443 299 L N -0.913 120.315 121.223 0.009 0.000 2.046 299 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 299 L C 2.351 179.210 176.870 -0.019 0.000 1.077 299 L CA 1.924 56.757 54.840 -0.011 0.000 0.747 299 L CB -0.461 41.588 42.059 -0.017 0.000 0.896 299 L HN 0.299 nan 8.230 nan 0.000 0.432 300 M N 0.045 119.637 119.600 -0.014 0.000 2.149 300 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 300 M C 2.488 178.781 176.300 -0.013 0.000 1.064 300 M CA 2.258 57.547 55.300 -0.018 0.000 1.102 300 M CB -1.409 31.185 32.600 -0.010 0.000 1.369 300 M HN 0.450 nan 8.290 nan 0.000 0.408 301 K N 0.062 120.458 120.400 -0.005 0.000 2.057 301 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 301 K C 2.027 178.621 176.600 -0.011 0.000 1.050 301 K CA 1.085 57.370 56.287 -0.005 0.000 0.935 301 K CB -0.681 31.820 32.500 0.002 0.000 0.715 301 K HN 0.214 nan 8.250 nan 0.000 0.439 302 R N 0.184 120.675 120.500 -0.015 0.000 2.115 302 R HA 0.147 4.487 4.340 -0.000 0.000 0.230 302 R C 2.337 178.622 176.300 -0.025 0.000 1.111 302 R CA 1.031 57.118 56.100 -0.022 0.000 0.976 302 R CB -0.716 29.566 30.300 -0.029 0.000 0.870 302 R HN 0.518 nan 8.270 nan 0.000 0.445 303 L N -0.102 121.104 121.223 -0.028 0.000 2.093 303 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 303 L C 2.462 179.316 176.870 -0.025 0.000 1.085 303 L CA 1.184 56.006 54.840 -0.030 0.000 0.755 303 L CB -0.543 41.494 42.059 -0.037 0.000 0.904 303 L HN 0.104 nan 8.230 nan 0.000 0.435 304 A N -0.423 122.384 122.820 -0.021 0.000 1.969 304 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 304 A C 2.232 179.807 177.584 -0.015 0.000 1.169 304 A CA 1.442 53.468 52.037 -0.018 0.000 0.635 304 A CB -0.299 18.693 19.000 -0.014 0.000 0.810 304 A HN 0.364 nan 8.150 nan 0.000 0.445 305 M N -1.276 118.316 119.600 -0.014 0.000 2.509 305 M HA 0.219 4.699 4.480 -0.000 0.000 0.250 305 M C 1.318 177.610 176.300 -0.013 0.000 1.132 305 M CA 0.574 55.867 55.300 -0.012 0.000 1.080 305 M CB 0.000 32.594 32.600 -0.010 0.000 1.408 305 M HN 0.320 nan 8.290 nan 0.000 0.484 306 L N -0.514 120.699 121.223 -0.017 0.000 2.554 306 L HA 0.176 4.516 4.340 -0.000 0.000 0.225 306 L C 0.508 177.369 176.870 -0.015 0.000 1.104 306 L CA 0.295 55.124 54.840 -0.018 0.000 0.866 306 L CB 0.338 42.383 42.059 -0.024 0.000 1.047 306 L HN 0.260 nan 8.230 nan 0.000 0.468 307 M N 0.567 120.157 119.600 -0.016 0.000 2.126 307 M HA 0.239 4.719 4.480 -0.000 0.000 0.217 307 M C -1.895 174.396 176.300 -0.014 0.000 0.873 307 M CA -1.162 54.129 55.300 -0.015 0.000 0.707 307 M CB 1.516 34.105 32.600 -0.018 0.000 1.515 307 M HN -0.240 nan 8.290 nan 0.000 0.369 308 P HA -0.020 nan 4.420 nan 0.000 0.231 308 P C 1.112 178.406 177.300 -0.009 0.000 1.168 308 P CA 1.211 64.305 63.100 -0.010 0.000 0.779 308 P CB 0.093 31.789 31.700 -0.008 0.000 0.844 309 E N 0.420 120.615 120.200 -0.009 0.000 2.204 309 E HA 0.164 4.514 4.350 -0.000 0.000 0.194 309 E C 1.333 177.927 176.600 -0.011 0.000 0.989 309 E CA 1.009 57.403 56.400 -0.009 0.000 0.824 309 E CB -0.573 29.122 29.700 -0.008 0.000 0.756 309 E HN 0.497 nan 8.360 nan 0.000 0.477 310 A N -0.456 122.355 122.820 -0.014 0.000 2.356 310 A HA 0.711 5.031 4.320 -0.000 0.000 0.323 310 A C -0.040 177.534 177.584 -0.016 0.000 1.119 310 A CA -0.590 51.436 52.037 -0.017 0.000 0.790 310 A CB 1.107 20.091 19.000 -0.025 0.000 1.273 310 A HN 0.279 nan 8.150 nan 0.000 0.452 311 R N 1.321 121.814 120.500 -0.012 0.000 2.267 311 R HA 0.434 4.774 4.340 -0.000 0.000 0.319 311 R C -1.340 174.952 176.300 -0.014 0.000 1.067 311 R CA -0.092 56.005 56.100 -0.006 0.000 0.936 311 R CB 0.296 30.601 30.300 0.008 0.000 1.006 311 R HN 0.428 nan 8.270 nan 0.000 0.452 312 V N 4.878 124.781 119.914 -0.017 0.000 2.304 312 V HA 0.517 4.637 4.120 -0.000 0.000 0.269 312 V C -0.041 176.043 176.094 -0.017 0.000 1.036 312 V CA -0.338 61.945 62.300 -0.028 0.000 0.840 312 V CB 0.702 32.506 31.823 -0.031 0.000 1.036 312 V HN 0.913 nan 8.190 nan 0.000 0.466 313 A N 3.803 126.616 122.820 -0.011 0.000 2.469 313 A HA 0.891 5.211 4.320 -0.000 0.000 0.299 313 A C 0.080 177.659 177.584 -0.009 0.000 1.098 313 A CA -0.363 51.683 52.037 0.015 0.000 0.737 313 A CB 1.915 20.960 19.000 0.075 0.000 1.312 313 A HN 0.847 nan 8.150 nan 0.000 0.414 314 S N -0.250 115.449 115.700 -0.002 0.000 2.614 314 S HA 0.320 4.790 4.470 -0.000 0.000 0.265 314 S C 1.173 175.780 174.600 0.012 0.000 1.303 314 S CA 0.515 58.696 58.200 -0.032 0.000 1.000 314 S CB 0.602 63.785 63.200 -0.028 0.000 0.935 314 S HN 1.592 nan 8.310 nan 0.000 0.551 315 T N -2.016 112.519 114.554 -0.031 0.000 3.098 315 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 315 T C 1.118 175.900 174.700 0.137 0.000 1.145 315 T CA 1.293 63.400 62.100 0.012 0.000 1.092 315 T CB -0.717 68.154 68.868 0.005 0.000 0.908 315 T HN 0.765 nan 8.240 nan 0.000 0.526 316 D N 1.925 122.383 120.400 0.098 0.000 2.149 316 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 316 D C 2.108 178.460 176.300 0.086 0.000 0.990 316 D CA 1.068 55.126 54.000 0.096 0.000 0.839 316 D CB -0.122 40.725 40.800 0.078 0.000 0.948 316 D HN 0.454 nan 8.370 nan 0.000 0.460 317 E N -0.833 119.415 120.200 0.080 0.000 2.338 317 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 317 E C 0.822 177.313 176.600 -0.181 0.000 1.007 317 E CA 0.656 57.020 56.400 -0.060 0.000 0.849 317 E CB -0.232 29.389 29.700 -0.132 0.000 0.774 317 E HN 0.597 nan 8.360 nan 0.000 0.506 318 Y N -0.410 119.878 120.300 -0.021 0.000 2.584 318 Y HA 0.363 4.913 4.550 -0.000 0.000 0.254 318 Y C 1.493 177.453 175.900 0.099 0.000 1.177 318 Y CA 0.191 58.301 58.100 0.016 0.000 1.216 318 Y CB 1.169 39.589 38.460 -0.067 0.000 1.172 318 Y HN 0.112 nan 8.280 nan 0.000 0.529 319 G N 0.349 109.265 108.800 0.194 0.000 2.163 319 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.213 319 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.213 319 G C -0.322 174.672 174.900 0.158 0.000 0.991 319 G CA -0.199 44.991 45.100 0.150 0.000 0.653 319 G HN 0.101 nan 8.290 nan 0.000 0.518 320 I N 0.750 121.432 120.570 0.186 0.000 2.447 320 I HA 0.358 4.528 4.170 -0.000 0.000 0.287 320 I C -2.616 173.588 176.117 0.146 0.000 1.023 320 I CA -2.766 58.639 61.300 0.175 0.000 1.083 320 I CB 1.691 39.800 38.000 0.183 0.000 1.245 320 I HN -0.202 nan 8.210 nan 0.000 0.434 321 P HA 0.167 nan 4.420 nan 0.000 0.271 321 P C -1.849 175.432 177.300 -0.032 0.000 1.233 321 P CA -1.102 62.045 63.100 0.078 0.000 0.764 321 P CB 0.182 31.956 31.700 0.124 0.000 0.825 322 P HA -0.227 nan 4.420 nan 0.000 0.218 322 P C 1.082 178.206 177.300 -0.294 0.000 1.146 322 P CA 1.532 64.518 63.100 -0.190 0.000 0.813 322 P CB -0.232 31.275 31.700 -0.322 0.000 0.778 323 A N -1.172 121.378 122.820 -0.449 0.000 1.969 323 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 323 A C 1.737 179.041 177.584 -0.465 0.000 1.169 323 A CA 0.851 52.487 52.037 -0.668 0.000 0.635 323 A CB -1.551 16.761 19.000 -1.146 0.000 0.810 323 A HN 0.309 nan 8.150 nan 0.000 0.445 324 W N -2.000 119.358 121.300 0.097 0.000 3.220 324 W HA 0.334 4.994 4.660 -0.000 0.000 0.328 324 W C 1.691 178.275 176.519 0.108 0.000 1.205 324 W CA -0.166 57.244 57.345 0.107 0.000 1.773 324 W CB -0.011 29.517 29.460 0.112 0.000 1.086 324 W HN 0.282 nan 8.180 nan 0.000 0.622 325 M N 1.217 120.960 119.600 0.238 0.000 2.080 325 M HA -0.195 4.285 4.480 -0.000 0.000 0.260 325 M C 2.049 178.484 176.300 0.224 0.000 1.068 325 M CA 2.029 57.458 55.300 0.216 0.000 1.109 325 M CB -0.279 32.385 32.600 0.108 0.000 1.342 325 M HN -0.097 nan 8.290 nan 0.000 0.405 326 E N -0.576 119.750 120.200 0.209 0.000 2.077 326 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 326 E C 2.035 178.787 176.600 0.253 0.000 0.989 326 E CA 1.399 57.933 56.400 0.223 0.000 0.800 326 E CB -0.658 29.162 29.700 0.201 0.000 0.746 326 E HN 0.719 nan 8.360 nan 0.000 0.452 327 G N 1.093 110.049 108.800 0.261 0.000 2.418 327 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 327 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 327 G C 1.639 176.621 174.900 0.137 0.000 1.158 327 G CA 0.727 45.970 45.100 0.238 0.000 0.771 327 G HN 0.115 nan 8.290 nan 0.000 0.545 328 M N 0.755 120.409 119.600 0.090 0.000 2.159 328 M HA 0.008 4.488 4.480 -0.000 0.000 0.263 328 M C 3.021 178.975 176.300 -0.576 0.000 1.063 328 M CA 1.311 56.573 55.300 -0.064 0.000 1.110 328 M CB -0.168 32.511 32.600 0.132 0.000 1.374 328 M HN 0.318 nan 8.290 nan 0.000 0.411 329 A N -0.136 122.236 122.820 -0.747 0.000 1.933 329 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 329 A C 1.827 179.025 177.584 -0.645 0.000 1.175 329 A CA 1.495 52.855 52.037 -1.128 0.000 0.628 329 A CB -0.916 17.773 19.000 -0.520 0.000 0.814 329 A HN 0.430 nan 8.150 nan 0.000 0.444 330 F N -0.092 119.686 119.950 -0.288 0.000 2.259 330 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 330 F C 2.718 178.418 175.800 -0.167 0.000 1.088 330 F CA 0.785 58.626 58.000 -0.264 0.000 1.358 330 F CB -0.260 38.659 39.000 -0.136 0.000 1.040 330 F HN 0.254 nan 8.300 nan 0.000 0.505 331 A N -0.632 122.215 122.820 0.046 0.000 1.902 331 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 331 A C 1.993 179.530 177.584 -0.079 0.000 1.181 331 A CA 1.522 53.601 52.037 0.070 0.000 0.623 331 A CB -1.529 17.553 19.000 0.137 0.000 0.818 331 A HN 0.635 nan 8.150 nan 0.000 0.443 332 W N 0.529 121.617 121.300 -0.355 0.000 2.363 332 W HA -0.114 4.546 4.660 -0.000 0.000 0.296 332 W C 1.680 178.001 176.519 -0.331 0.000 1.212 332 W CA 1.697 58.832 57.345 -0.350 0.000 1.260 332 W CB -0.213 28.966 29.460 -0.470 0.000 1.131 332 W HN 0.245 nan 8.180 nan 0.000 0.530 333 L N 0.458 121.500 121.223 -0.302 0.000 2.131 333 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 333 L C 2.712 179.526 176.870 -0.094 0.000 1.092 333 L CA 1.200 55.797 54.840 -0.404 0.000 0.759 333 L CB -1.238 40.348 42.059 -0.788 0.000 0.903 333 L HN 0.103 nan 8.230 nan 0.000 0.435 334 A N -0.369 122.457 122.820 0.010 0.000 1.908 334 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 334 A C 2.178 179.736 177.584 -0.042 0.000 1.181 334 A CA 2.097 54.217 52.037 0.139 0.000 0.627 334 A CB -0.792 18.314 19.000 0.176 0.000 0.818 334 A HN 0.537 nan 8.150 nan 0.000 0.445 335 H N 0.119 118.799 119.070 -0.649 0.000 2.321 335 H HA -0.042 4.514 4.556 -0.000 0.000 0.300 335 H C 2.121 177.217 175.328 -0.387 0.000 1.087 335 H CA 1.899 57.518 56.048 -0.716 0.000 1.319 335 H CB -0.208 28.935 29.762 -1.032 0.000 1.379 335 H HN 0.294 nan 8.280 nan 0.000 0.501 336 R N -0.308 119.801 120.500 -0.652 0.000 2.091 336 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 336 R C 2.493 178.679 176.300 -0.190 0.000 1.136 336 R CA 1.301 57.040 56.100 -0.601 0.000 0.959 336 R CB -1.462 28.366 30.300 -0.787 0.000 0.856 336 R HN 0.405 nan 8.270 nan 0.000 0.437 337 F N 1.557 121.430 119.950 -0.128 0.000 2.069 337 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 337 F C 2.186 177.986 175.800 -0.000 0.000 1.113 337 F CA 1.537 59.532 58.000 -0.010 0.000 1.214 337 F CB -0.291 38.755 39.000 0.078 0.000 0.978 337 F HN -0.107 nan 8.300 nan 0.000 0.474 338 L N -0.030 121.367 121.223 0.291 0.000 2.141 338 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 338 L C 2.037 178.955 176.870 0.079 0.000 1.094 338 L CA 0.891 55.876 54.840 0.241 0.000 0.763 338 L CB -0.560 41.699 42.059 0.334 0.000 0.908 338 L HN 0.118 nan 8.230 nan 0.000 0.437 339 E N 0.091 120.329 120.200 0.064 0.000 2.502 339 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 339 E C 0.165 176.715 176.600 -0.083 0.000 1.062 339 E CA 0.009 56.418 56.400 0.015 0.000 0.867 339 E CB 0.143 29.872 29.700 0.047 0.000 0.888 339 E HN 0.194 nan 8.360 nan 0.000 0.510 340 R N -0.267 120.132 120.500 -0.168 0.000 3.423 340 R HA -0.171 4.169 4.340 -0.000 0.000 0.271 340 R C -0.462 175.745 176.300 -0.155 0.000 1.093 340 R CA 0.388 56.362 56.100 -0.209 0.000 0.730 340 R CB -2.743 27.454 30.300 -0.170 0.000 1.190 340 R HN 0.195 nan 8.270 nan 0.000 0.437 341 L N 0.757 121.878 121.223 -0.169 0.000 2.331 341 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 341 L C -1.759 175.032 176.870 -0.132 0.000 1.022 341 L CA -2.238 52.511 54.840 -0.151 0.000 0.812 341 L CB 1.357 43.295 42.059 -0.202 0.000 1.257 341 L HN -0.193 nan 8.230 nan 0.000 0.435 342 P HA 0.106 nan 4.420 nan 0.000 0.272 342 P C 0.132 177.420 177.300 -0.019 0.000 1.223 342 P CA -0.093 62.991 63.100 -0.027 0.000 0.784 342 P CB 0.925 32.626 31.700 0.003 0.000 0.923 343 G N 1.086 109.904 108.800 0.031 0.000 2.739 343 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.200 343 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.200 343 G C 0.367 175.332 174.900 0.108 0.000 1.069 343 G CA 0.018 45.154 45.100 0.060 0.000 0.768 343 G HN 0.609 nan 8.290 nan 0.000 0.565 344 N N -0.069 118.686 118.700 0.092 0.000 2.413 344 N HA 0.340 5.080 4.740 -0.000 0.000 0.266 344 N C -0.933 174.621 175.510 0.074 0.000 1.238 344 N CA -0.660 52.440 53.050 0.084 0.000 0.972 344 N CB 0.824 39.362 38.487 0.085 0.000 1.210 344 N HN -0.060 nan 8.380 nan 0.000 0.547 345 C N 0.596 119.931 119.300 0.059 0.000 2.356 345 C HA 0.366 4.826 4.460 -0.000 0.000 0.324 345 C C -1.390 173.627 174.990 0.046 0.000 1.167 345 C CA -0.823 58.224 59.018 0.047 0.000 1.420 345 C CB 1.296 29.055 27.740 0.033 0.000 2.036 345 C HN 0.658 nan 8.230 nan 0.000 0.435 346 P HA -0.132 nan 4.420 nan 0.000 0.218 346 P C 0.896 178.221 177.300 0.042 0.000 1.148 346 P CA 1.573 64.698 63.100 0.043 0.000 0.822 346 P CB 0.213 31.934 31.700 0.035 0.000 0.784 347 D N -1.610 118.813 120.400 0.039 0.000 2.349 347 D HA 0.009 4.649 4.640 -0.000 0.000 0.215 347 D C 1.700 178.032 176.300 0.054 0.000 1.016 347 D CA 0.461 54.485 54.000 0.041 0.000 0.870 347 D CB 0.284 41.105 40.800 0.035 0.000 0.917 347 D HN 0.082 nan 8.370 nan 0.000 0.524 348 V N 1.088 121.033 119.914 0.052 0.000 2.426 348 V HA -0.126 3.994 4.120 -0.000 0.000 0.242 348 V C 2.727 178.867 176.094 0.077 0.000 1.036 348 V CA 2.010 64.348 62.300 0.064 0.000 1.044 348 V CB -0.179 31.662 31.823 0.029 0.000 0.688 348 V HN 0.298 nan 8.190 nan 0.000 0.462 349 T N -2.890 111.704 114.554 0.067 0.000 3.031 349 T HA 0.263 4.613 4.350 -0.000 0.000 0.254 349 T C 1.610 176.350 174.700 0.066 0.000 1.060 349 T CA 1.156 63.302 62.100 0.076 0.000 1.135 349 T CB 0.607 69.523 68.868 0.081 0.000 0.896 349 T HN 1.015 nan 8.240 nan 0.000 0.472 350 G N 1.495 110.328 108.800 0.055 0.000 2.141 350 G HA2 0.014 3.973 3.960 -0.000 0.000 0.231 350 G HA3 0.014 3.973 3.960 -0.000 0.000 0.231 350 G C 0.326 175.253 174.900 0.046 0.000 0.984 350 G CA 0.015 45.142 45.100 0.045 0.000 0.660 350 G HN 1.146 nan 8.290 nan 0.000 0.525 351 A N -0.390 122.461 122.820 0.052 0.000 2.448 351 A HA 0.679 4.999 4.320 -0.000 0.000 0.239 351 A C 1.711 179.318 177.584 0.039 0.000 1.080 351 A CA 0.570 52.637 52.037 0.051 0.000 0.779 351 A CB 0.200 19.235 19.000 0.059 0.000 1.026 351 A HN 0.820 nan 8.150 nan 0.000 0.499 352 L N 0.733 121.976 121.223 0.033 0.000 2.131 352 L HA 0.062 4.402 4.340 -0.000 0.000 0.210 352 L C 1.406 178.290 176.870 0.023 0.000 1.092 352 L CA 1.487 56.342 54.840 0.024 0.000 0.759 352 L CB -0.486 41.584 42.059 0.019 0.000 0.903 352 L HN 0.939 nan 8.230 nan 0.000 0.435 353 G N -2.252 106.565 108.800 0.027 0.000 2.428 353 G HA2 0.301 4.261 3.960 -0.000 0.000 0.304 353 G HA3 0.301 4.261 3.960 -0.000 0.000 0.304 353 G C -2.989 171.930 174.900 0.031 0.000 1.303 353 G CA -0.704 44.411 45.100 0.026 0.000 0.825 353 G HN -0.335 nan 8.290 nan 0.000 0.484 354 P HA 0.348 nan 4.420 nan 0.000 0.268 354 P C -0.851 176.464 177.300 0.026 0.000 1.204 354 P CA 0.080 63.198 63.100 0.029 0.000 0.768 354 P CB 0.814 32.526 31.700 0.021 0.000 0.842 355 R N 1.209 121.730 120.500 0.035 0.000 2.698 355 R HA 0.376 4.715 4.340 -0.000 0.000 0.275 355 R C -0.402 175.922 176.300 0.040 0.000 1.001 355 R CA -0.686 55.435 56.100 0.036 0.000 0.896 355 R CB 1.150 31.483 30.300 0.054 0.000 1.218 355 R HN 0.310 nan 8.270 nan 0.000 0.462 356 T N 3.497 118.062 114.554 0.018 0.000 2.817 356 T HA 0.252 4.602 4.350 -0.000 0.000 0.295 356 T C 0.476 175.253 174.700 0.130 0.000 0.958 356 T CA 0.107 62.221 62.100 0.022 0.000 1.157 356 T CB 0.052 68.871 68.868 -0.082 0.000 0.898 356 T HN 0.160 nan 8.240 nan 0.000 0.536 357 L N 3.377 124.736 121.223 0.228 0.000 2.317 357 L HA 0.741 5.081 4.340 -0.000 0.000 0.281 357 L C 0.928 178.056 176.870 0.430 0.000 1.024 357 L CA -0.557 54.481 54.840 0.330 0.000 0.810 357 L CB 1.296 43.586 42.059 0.384 0.000 1.240 357 L HN 0.927 nan 8.230 nan 0.000 0.427 358 G N 2.052 110.951 108.800 0.166 0.000 2.525 358 G HA2 0.300 4.260 3.960 -0.000 0.000 0.685 358 G HA3 0.300 4.260 3.960 -0.000 0.000 0.685 358 G C -1.444 173.376 174.900 -0.133 0.000 1.290 358 G CA -0.303 44.617 45.100 -0.299 0.000 0.915 358 G HN 1.018 nan 8.290 nan 0.000 0.548 359 A N -1.148 121.420 122.820 -0.421 0.000 2.539 359 A HA 0.901 5.221 4.320 -0.000 0.000 0.296 359 A C -1.044 176.218 177.584 -0.537 0.000 1.073 359 A CA -0.215 51.636 52.037 -0.309 0.000 0.700 359 A CB 1.981 20.917 19.000 -0.107 0.000 1.296 359 A HN 2.276 nan 8.150 nan 0.000 0.405 360 L N 1.218 122.177 121.223 -0.441 0.000 2.265 360 L HA 0.619 4.959 4.340 -0.000 0.000 0.289 360 L C -1.658 175.097 176.870 -0.191 0.000 1.033 360 L CA -0.169 54.480 54.840 -0.319 0.000 0.814 360 L CB 0.232 42.220 42.059 -0.119 0.000 1.203 360 L HN 0.551 nan 8.230 nan 0.000 0.423 361 Y N 7.135 127.354 120.300 -0.134 0.000 2.504 361 Y HA 0.437 4.987 4.550 -0.000 0.000 0.339 361 Y C -1.947 173.930 175.900 -0.037 0.000 0.974 361 Y CA -2.274 55.786 58.100 -0.067 0.000 1.232 361 Y CB 0.652 39.074 38.460 -0.063 0.000 1.108 361 Y HN 0.552 nan 8.280 nan 0.000 0.509 362 P HA 0.080 nan 4.420 nan 0.000 0.275 362 P C 0.198 177.536 177.300 0.062 0.000 1.228 362 P CA 0.053 63.187 63.100 0.057 0.000 0.786 362 P CB 1.710 33.429 31.700 0.032 0.000 0.927 363 A N 2.855 125.704 122.820 0.048 0.000 1.898 363 A HA 0.298 4.618 4.320 -0.000 0.000 0.216 363 A C 1.186 178.788 177.584 0.029 0.000 1.181 363 A CA 1.698 53.757 52.037 0.037 0.000 0.620 363 A CB -1.529 17.486 19.000 0.025 0.000 0.819 363 A HN 0.876 nan 8.150 nan 0.000 0.442 364 G N 0.000 108.815 108.800 0.024 0.000 5.446 364 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 364 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 364 G CA 0.000 45.111 45.100 0.018 0.000 0.502 364 G HN 0.000 nan 8.290 nan 0.000 0.925