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 2bsp_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADLGHQTLGS NDGWGAYSTG TTGGSKASSS NVYTVSNRNQ LVSALGKETN DATA SEQUENCE TTPKIIYIKG TIDMNVDDNL KPLGLNDYKD PEYDLDKYLK AYDPSTWGKK DATA SEQUENCE EPSGTQEEAR ARSQKNQKAR VMVDIPANTT IVGSGTNAKV VGGNFQIKSD DATA SEQUENCE NVIIRNIEFQ DAYDYFPQWD PTDGSSGNWN SQYDNITING GTHIWIDHCT DATA SEQUENCE FNDGSRPDST SPKYYGRKYQ HHDGQTDASN GANYITMSYN YYHDHDKSSI DATA SEQUENCE FGSSDSKTSD DGKLKITLHH NRYKNIVQKA PRVRFGQVHV YNNYYEGSTS DATA SEQUENCE SSSYPFSYAW GIGKSSKIYA QNNVIDVPGL SAAKTISVFS GGTALYDSGT DATA SEQUENCE LLNGTQINAS AANGLSSSVG WTPSLHGSID ASANVKSNVI NQAGAGKLN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.632 177.584 0.081 0.000 1.274 1 A CA 0.000 52.068 52.037 0.051 0.000 0.836 1 A CB 0.000 19.061 19.000 0.101 0.000 0.831 2 D N 0.199 120.666 120.400 0.112 0.000 2.433 2 D HA 0.367 5.007 4.640 -0.000 0.000 0.255 2 D C 1.189 177.598 176.300 0.181 0.000 1.226 2 D CA -0.468 53.617 54.000 0.141 0.000 1.015 2 D CB 0.317 41.213 40.800 0.160 0.000 1.091 2 D HN 0.546 nan 8.370 nan 0.000 0.527 3 L N 0.635 121.953 121.223 0.158 0.000 2.013 3 L HA -0.004 4.336 4.340 -0.000 0.000 0.212 3 L C 2.299 179.223 176.870 0.090 0.000 1.073 3 L CA 2.646 57.555 54.840 0.115 0.000 0.753 3 L CB -1.146 40.972 42.059 0.099 0.000 0.890 3 L HN 0.703 nan 8.230 nan 0.000 0.432 4 G N -2.503 106.375 108.800 0.130 0.000 2.432 4 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 4 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 4 G C 1.046 175.849 174.900 -0.163 0.000 1.135 4 G CA 1.063 46.094 45.100 -0.114 0.000 0.767 4 G HN 0.615 nan 8.290 nan 0.000 0.550 5 H N -0.598 118.513 119.070 0.068 0.000 2.586 5 H HA 0.294 4.850 4.556 -0.000 0.000 0.273 5 H C 0.984 176.363 175.328 0.086 0.000 0.997 5 H CA -0.276 55.812 56.048 0.068 0.000 1.177 5 H CB 0.371 30.172 29.762 0.065 0.000 1.471 5 H HN 0.323 nan 8.280 nan 0.000 0.538 6 Q N 1.151 121.068 119.800 0.196 0.000 2.373 6 Q HA 0.193 4.533 4.340 -0.000 0.000 0.255 6 Q C 0.255 176.407 176.000 0.253 0.000 0.980 6 Q CA 0.109 56.038 55.803 0.210 0.000 0.882 6 Q CB 1.085 29.956 28.738 0.222 0.000 1.249 6 Q HN 0.361 nan 8.270 nan 0.000 0.438 7 T N -1.169 113.520 114.554 0.225 0.000 2.940 7 T HA 0.520 4.870 4.350 -0.000 0.000 0.288 7 T C -0.531 174.217 174.700 0.080 0.000 1.045 7 T CA -1.052 61.166 62.100 0.195 0.000 1.018 7 T CB 0.853 69.774 68.868 0.089 0.000 1.151 7 T HN 0.387 nan 8.240 nan 0.000 0.529 8 L N 2.072 123.212 121.223 -0.138 0.000 2.416 8 L HA 0.543 4.883 4.340 -0.000 0.000 0.272 8 L C 0.977 177.641 176.870 -0.342 0.000 1.161 8 L CA 0.366 54.788 54.840 -0.698 0.000 0.845 8 L CB -0.161 41.494 42.059 -0.674 0.000 1.119 8 L HN 1.021 nan 8.230 nan 0.000 0.464 9 G N 2.693 111.296 108.800 -0.328 0.000 2.484 9 G HA2 0.159 4.119 3.960 -0.000 0.000 0.235 9 G HA3 0.159 4.119 3.960 -0.000 0.000 0.235 9 G C 0.881 175.714 174.900 -0.112 0.000 1.282 9 G CA 0.170 45.188 45.100 -0.136 0.000 0.857 9 G HN 1.042 nan 8.290 nan 0.000 0.571 10 S N 0.338 115.996 115.700 -0.069 0.000 2.507 10 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 10 S C 1.393 175.958 174.600 -0.059 0.000 0.988 10 S CA 1.119 59.281 58.200 -0.063 0.000 0.944 10 S CB -0.125 63.042 63.200 -0.055 0.000 0.762 10 S HN 0.773 nan 8.310 nan 0.000 0.526 11 N N -0.150 118.516 118.700 -0.057 0.000 2.194 11 N HA 0.111 4.851 4.740 -0.000 0.000 0.231 11 N C -0.903 174.590 175.510 -0.028 0.000 1.247 11 N CA -0.266 52.745 53.050 -0.064 0.000 0.884 11 N CB -0.233 38.196 38.487 -0.096 0.000 1.146 11 N HN 0.148 nan 8.380 nan 0.000 0.516 12 D N 1.527 121.918 120.400 -0.014 0.000 2.558 12 D HA 0.416 5.056 4.640 -0.000 0.000 0.221 12 D C 0.796 177.160 176.300 0.107 0.000 1.143 12 D CA 0.823 54.852 54.000 0.048 0.000 1.010 12 D CB -0.413 40.375 40.800 -0.019 0.000 1.068 12 D HN 0.527 nan 8.370 nan 0.000 0.511 13 G N 1.709 110.604 108.800 0.159 0.000 2.782 13 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.228 13 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.228 13 G C 0.810 175.840 174.900 0.216 0.000 1.372 13 G CA -0.190 45.046 45.100 0.227 0.000 0.862 13 G HN 0.475 nan 8.290 nan 0.000 0.547 14 W N 0.479 121.936 121.300 0.261 0.000 2.421 14 W HA 0.107 4.767 4.660 -0.000 0.000 0.270 14 W C 2.600 179.277 176.519 0.263 0.000 1.233 14 W CA 0.863 58.359 57.345 0.252 0.000 1.226 14 W CB -0.050 29.526 29.460 0.194 0.000 1.121 14 W HN 0.860 nan 8.180 nan 0.000 0.579 15 G N -0.119 108.939 108.800 0.431 0.000 2.471 15 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.219 15 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.219 15 G C 1.485 176.575 174.900 0.316 0.000 1.125 15 G CA 0.802 46.111 45.100 0.348 0.000 0.775 15 G HN 0.270 nan 8.290 nan 0.000 0.548 16 A N -0.764 122.192 122.820 0.226 0.000 2.238 16 A HA 0.364 4.683 4.320 -0.000 0.000 0.208 16 A C 0.750 178.421 177.584 0.145 0.000 1.177 16 A CA -0.495 51.615 52.037 0.123 0.000 0.804 16 A CB -0.335 18.685 19.000 0.033 0.000 0.823 16 A HN 0.368 nan 8.150 nan 0.000 0.482 17 Y N 1.416 121.786 120.300 0.117 0.000 2.550 17 Y HA 0.229 4.779 4.550 -0.000 0.000 0.343 17 Y C 1.617 177.497 175.900 -0.034 0.000 1.245 17 Y CA 0.606 58.711 58.100 0.009 0.000 1.462 17 Y CB 0.535 38.944 38.460 -0.085 0.000 1.340 17 Y HN 0.732 nan 8.280 nan 0.000 0.604 18 S N 0.786 116.009 115.700 -0.794 0.000 4.150 18 S HA -0.441 4.029 4.470 -0.000 0.000 0.541 18 S C 1.274 175.711 174.600 -0.271 0.000 1.860 18 S CA 2.302 60.191 58.200 -0.519 0.000 4.226 18 S CB -2.346 60.672 63.200 -0.303 0.000 0.445 18 S HN 1.338 nan 8.310 nan 0.000 0.470 19 T N 0.983 115.378 114.554 -0.264 0.000 3.072 19 T HA 0.462 4.812 4.350 -0.000 0.000 0.266 19 T C 2.206 176.713 174.700 -0.322 0.000 1.127 19 T CA 1.196 63.115 62.100 -0.303 0.000 1.107 19 T CB -1.288 67.382 68.868 -0.329 0.000 0.910 19 T HN 2.455 nan 8.240 nan 0.000 0.513 20 G N 0.575 109.194 108.800 -0.302 0.000 2.750 20 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.228 20 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.228 20 G C -0.443 174.388 174.900 -0.115 0.000 1.367 20 G CA -0.375 44.659 45.100 -0.111 0.000 0.871 20 G HN 0.621 nan 8.290 nan 0.000 0.560 21 T N 0.466 115.030 114.554 0.016 0.000 2.864 21 T HA 0.588 4.938 4.350 -0.000 0.000 0.310 21 T C 1.168 175.917 174.700 0.082 0.000 1.040 21 T CA 0.494 62.650 62.100 0.092 0.000 0.977 21 T CB 1.148 70.136 68.868 0.199 0.000 0.976 21 T HN 1.392 nan 8.240 nan 0.000 0.459 22 T N -0.550 114.042 114.554 0.064 0.000 3.010 22 T HA 0.478 4.828 4.350 -0.000 0.000 0.257 22 T C 1.532 176.285 174.700 0.088 0.000 1.020 22 T CA 0.308 62.450 62.100 0.070 0.000 0.938 22 T CB 0.045 68.929 68.868 0.027 0.000 1.049 22 T HN 0.840 nan 8.240 nan 0.000 0.522 23 G N 1.611 110.471 108.800 0.100 0.000 2.634 23 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.309 23 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.309 23 G C 0.823 175.748 174.900 0.042 0.000 1.265 23 G CA 0.131 45.281 45.100 0.085 0.000 0.998 23 G HN 1.238 nan 8.290 nan 0.000 0.551 24 G N -0.315 108.493 108.800 0.012 0.000 3.609 24 G HA2 0.482 4.442 3.960 -0.000 0.000 0.280 24 G HA3 0.482 4.442 3.960 -0.000 0.000 0.280 24 G C 1.572 176.444 174.900 -0.047 0.000 1.155 24 G CA 1.305 46.397 45.100 -0.014 0.000 0.876 24 G HN 1.732 nan 8.290 nan 0.000 0.535 25 S N 0.669 116.358 115.700 -0.018 0.000 2.419 25 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 25 S C 1.752 176.389 174.600 0.061 0.000 1.019 25 S CA 0.901 59.100 58.200 -0.001 0.000 0.982 25 S CB -0.120 63.123 63.200 0.071 0.000 0.789 25 S HN 0.370 nan 8.310 nan 0.000 0.490 26 K N 1.698 122.126 120.400 0.046 0.000 2.458 26 K HA 0.393 4.713 4.320 -0.000 0.000 0.194 26 K C 0.624 177.254 176.600 0.051 0.000 1.024 26 K CA 0.219 56.542 56.287 0.059 0.000 1.108 26 K CB -0.086 32.437 32.500 0.038 0.000 0.846 26 K HN 0.515 nan 8.250 nan 0.000 0.518 27 A N 2.046 124.884 122.820 0.030 0.000 2.531 27 A HA 0.077 4.397 4.320 -0.000 0.000 0.236 27 A C 0.676 178.289 177.584 0.047 0.000 1.062 27 A CA -0.082 51.967 52.037 0.020 0.000 0.760 27 A CB 0.178 19.164 19.000 -0.024 0.000 0.995 27 A HN 0.340 nan 8.150 nan 0.000 0.501 28 S N 1.218 116.931 115.700 0.023 0.000 2.645 28 S HA 0.319 4.789 4.470 -0.000 0.000 0.266 28 S C 1.327 175.928 174.600 0.001 0.000 1.258 28 S CA 0.012 58.225 58.200 0.021 0.000 0.990 28 S CB 0.953 64.157 63.200 0.008 0.000 0.967 28 S HN 1.553 nan 8.310 nan 0.000 0.556 29 S N 0.763 116.463 115.700 -0.000 0.000 2.419 29 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 29 S C 1.843 176.388 174.600 -0.091 0.000 1.016 29 S CA 1.045 59.232 58.200 -0.021 0.000 0.974 29 S CB -1.314 61.880 63.200 -0.010 0.000 0.786 29 S HN 1.013 nan 8.310 nan 0.000 0.492 30 S N 1.962 117.608 115.700 -0.091 0.000 2.481 30 S HA 0.047 4.517 4.470 -0.000 0.000 0.231 30 S C 0.924 175.361 174.600 -0.272 0.000 0.996 30 S CA 0.687 58.809 58.200 -0.130 0.000 0.942 30 S CB -0.718 62.451 63.200 -0.052 0.000 0.768 30 S HN 0.700 nan 8.310 nan 0.000 0.520 31 N N 0.660 119.205 118.700 -0.258 0.000 2.321 31 N HA 0.302 5.042 4.740 -0.000 0.000 0.242 31 N C -1.322 173.916 175.510 -0.454 0.000 1.141 31 N CA -0.137 52.712 53.050 -0.334 0.000 0.864 31 N CB 1.154 39.628 38.487 -0.022 0.000 1.100 31 N HN 0.145 nan 8.380 nan 0.000 0.510 32 V N 1.765 121.367 119.914 -0.519 0.000 2.334 32 V HA 0.343 4.463 4.120 -0.000 0.000 0.281 32 V C -0.864 175.003 176.094 -0.379 0.000 1.016 32 V CA -0.626 61.511 62.300 -0.271 0.000 0.832 32 V CB -0.098 31.706 31.823 -0.032 0.000 0.999 32 V HN 0.133 nan 8.190 nan 0.000 0.439 33 Y N 1.651 122.012 120.300 0.101 0.000 2.468 33 Y HA 0.655 5.205 4.550 -0.000 0.000 0.342 33 Y C 0.614 176.603 175.900 0.149 0.000 1.021 33 Y CA -0.903 57.252 58.100 0.091 0.000 1.079 33 Y CB 2.204 40.692 38.460 0.047 0.000 1.226 33 Y HN 0.435 nan 8.280 nan 0.000 0.460 34 T N 3.238 117.950 114.554 0.262 0.000 2.815 34 T HA 0.528 4.878 4.350 -0.000 0.000 0.289 34 T C -0.816 173.970 174.700 0.143 0.000 1.000 34 T CA -0.709 61.507 62.100 0.194 0.000 0.958 34 T CB 0.310 69.236 68.868 0.096 0.000 0.944 34 T HN 0.548 nan 8.240 nan 0.000 0.442 35 V N 1.225 121.213 119.914 0.123 0.000 2.715 35 V HA 0.903 5.023 4.120 -0.000 0.000 0.310 35 V C 0.356 176.481 176.094 0.051 0.000 1.054 35 V CA -0.782 61.562 62.300 0.073 0.000 0.928 35 V CB 2.046 33.899 31.823 0.051 0.000 1.007 35 V HN 0.831 nan 8.190 nan 0.000 0.437 36 S N 0.996 116.716 115.700 0.033 0.000 2.960 36 S HA 0.374 4.844 4.470 -0.000 0.000 0.256 36 S C -0.006 174.601 174.600 0.013 0.000 1.017 36 S CA 0.052 58.264 58.200 0.019 0.000 1.144 36 S CB -0.784 62.425 63.200 0.015 0.000 1.109 36 S HN 1.386 nan 8.310 nan 0.000 0.638 37 N N 0.261 118.970 118.700 0.016 0.000 3.020 37 N HA 0.367 5.107 4.740 -0.000 0.000 0.248 37 N C 0.064 175.586 175.510 0.019 0.000 1.480 37 N CA -1.130 51.929 53.050 0.015 0.000 0.874 37 N CB 0.653 39.146 38.487 0.011 0.000 1.433 37 N HN -0.112 nan 8.380 nan 0.000 0.530 38 R N -0.312 120.202 120.500 0.024 0.000 2.081 38 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 38 R C 0.600 176.908 176.300 0.012 0.000 1.131 38 R CA 1.660 57.777 56.100 0.029 0.000 0.960 38 R CB -0.436 29.887 30.300 0.039 0.000 0.856 38 R HN 0.584 nan 8.270 nan 0.000 0.436 39 N N 0.863 119.567 118.700 0.007 0.000 2.069 39 N HA -0.192 4.548 4.740 -0.000 0.000 0.191 39 N C 1.762 177.262 175.510 -0.017 0.000 1.031 39 N CA 1.549 54.598 53.050 -0.003 0.000 0.852 39 N CB -0.316 38.171 38.487 0.001 0.000 1.018 39 N HN 0.403 nan 8.380 nan 0.000 0.423 40 Q N -0.028 119.765 119.800 -0.012 0.000 2.124 40 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 40 Q C 2.050 178.017 176.000 -0.054 0.000 0.977 40 Q CA 0.755 56.544 55.803 -0.023 0.000 0.850 40 Q CB -0.155 28.586 28.738 0.005 0.000 0.901 40 Q HN 0.237 nan 8.270 nan 0.000 0.429 41 L N 0.652 121.854 121.223 -0.034 0.000 1.994 41 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 41 L C 2.270 179.082 176.870 -0.096 0.000 1.071 41 L CA 1.650 56.458 54.840 -0.054 0.000 0.745 41 L CB -0.667 41.388 42.059 -0.007 0.000 0.892 41 L HN 0.191 nan 8.230 nan 0.000 0.431 42 V N -3.744 116.129 119.914 -0.069 0.000 2.407 42 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 42 V C 2.344 178.378 176.094 -0.101 0.000 1.055 42 V CA 1.917 64.171 62.300 -0.077 0.000 1.049 42 V CB -1.329 30.470 31.823 -0.041 0.000 0.662 42 V HN 0.458 nan 8.190 nan 0.000 0.455 43 S N 1.014 116.651 115.700 -0.105 0.000 2.368 43 S HA 0.001 4.471 4.470 -0.000 0.000 0.225 43 S C 2.254 176.713 174.600 -0.235 0.000 1.030 43 S CA 1.608 59.731 58.200 -0.128 0.000 0.999 43 S CB -0.567 62.574 63.200 -0.099 0.000 0.844 43 S HN 0.903 nan 8.310 nan 0.000 0.459 44 A N 1.099 123.715 122.820 -0.340 0.000 1.929 44 A HA 0.080 4.400 4.320 -0.000 0.000 0.216 44 A C 2.070 179.403 177.584 -0.419 0.000 1.176 44 A CA 0.926 52.569 52.037 -0.657 0.000 0.628 44 A CB -0.565 18.027 19.000 -0.680 0.000 0.816 44 A HN 0.444 nan 8.150 nan 0.000 0.444 45 L N -1.196 119.879 121.223 -0.247 0.000 2.056 45 L HA 0.129 4.468 4.340 -0.000 0.000 0.207 45 L C 1.795 178.590 176.870 -0.124 0.000 1.078 45 L CA 0.731 55.470 54.840 -0.168 0.000 0.749 45 L CB -1.075 40.886 42.059 -0.162 0.000 0.901 45 L HN 0.660 nan 8.230 nan 0.000 0.433 46 G N -0.019 108.711 108.800 -0.117 0.000 2.598 46 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 46 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 46 G C -0.230 174.638 174.900 -0.054 0.000 1.302 46 G CA -0.079 44.976 45.100 -0.075 0.000 0.903 46 G HN 0.207 nan 8.290 nan 0.000 0.575 47 K N -0.092 120.288 120.400 -0.034 0.000 2.526 47 K HA 0.433 4.753 4.320 -0.000 0.000 0.256 47 K C 1.644 178.233 176.600 -0.018 0.000 1.035 47 K CA 0.043 56.316 56.287 -0.023 0.000 1.011 47 K CB 0.826 33.318 32.500 -0.013 0.000 1.343 47 K HN 0.683 nan 8.250 nan 0.000 0.510 48 E N 0.551 120.745 120.200 -0.010 0.000 2.160 48 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 48 E C 1.177 177.777 176.600 0.001 0.000 0.991 48 E CA 1.984 58.382 56.400 -0.004 0.000 0.810 48 E CB -0.011 29.689 29.700 0.001 0.000 0.742 48 E HN 0.689 nan 8.360 nan 0.000 0.466 49 T N -1.071 113.484 114.554 0.001 0.000 3.072 49 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 49 T C 1.096 175.800 174.700 0.007 0.000 1.127 49 T CA 0.587 62.690 62.100 0.005 0.000 1.107 49 T CB -0.336 68.535 68.868 0.005 0.000 0.910 49 T HN -0.034 nan 8.240 nan 0.000 0.513 50 N N 2.946 121.648 118.700 0.003 0.000 3.050 50 N HA 0.079 4.819 4.740 -0.000 0.000 0.289 50 N C 1.033 176.551 175.510 0.013 0.000 1.209 50 N CA 0.121 53.175 53.050 0.007 0.000 1.154 50 N CB 0.004 38.489 38.487 -0.005 0.000 1.444 50 N HN 0.537 nan 8.380 nan 0.000 0.529 51 T N -2.760 111.805 114.554 0.017 0.000 3.107 51 T HA 0.072 4.421 4.350 -0.000 0.000 0.249 51 T C 0.579 175.294 174.700 0.025 0.000 1.096 51 T CA -0.252 61.860 62.100 0.020 0.000 1.012 51 T CB -0.395 68.484 68.868 0.020 0.000 0.977 51 T HN 0.130 nan 8.240 nan 0.000 0.527 52 T N 4.838 119.410 114.554 0.030 0.000 2.916 52 T HA 0.266 4.616 4.350 -0.000 0.000 0.303 52 T C -2.578 172.145 174.700 0.039 0.000 1.025 52 T CA -0.901 61.219 62.100 0.034 0.000 1.142 52 T CB 0.585 69.479 68.868 0.043 0.000 0.947 52 T HN 0.159 nan 8.240 nan 0.000 0.544 53 P HA 0.115 nan 4.420 nan 0.000 0.262 53 P C -0.378 176.943 177.300 0.035 0.000 1.182 53 P CA 0.049 63.166 63.100 0.027 0.000 0.761 53 P CB 0.185 31.897 31.700 0.021 0.000 0.795 54 K N 2.673 123.094 120.400 0.036 0.000 2.502 54 K HA 0.675 4.995 4.320 -0.000 0.000 0.257 54 K C -1.384 175.226 176.600 0.018 0.000 0.938 54 K CA -0.936 55.392 56.287 0.069 0.000 0.819 54 K CB 1.751 34.345 32.500 0.156 0.000 1.333 54 K HN 0.190 nan 8.250 nan 0.000 0.434 55 I N 3.105 123.677 120.570 0.003 0.000 2.436 55 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 55 I C -0.831 175.278 176.117 -0.014 0.000 1.010 55 I CA -0.958 60.283 61.300 -0.099 0.000 1.098 55 I CB 1.709 39.573 38.000 -0.226 0.000 1.266 55 I HN 0.510 nan 8.210 nan 0.000 0.434 56 I N 6.451 126.971 120.570 -0.083 0.000 2.410 56 I HA 0.308 4.478 4.170 -0.000 0.000 0.286 56 I C -1.097 174.945 176.117 -0.125 0.000 1.009 56 I CA -0.581 60.725 61.300 0.012 0.000 1.111 56 I CB 1.242 39.259 38.000 0.028 0.000 1.262 56 I HN 0.373 nan 8.210 nan 0.000 0.443 57 Y N 6.405 126.742 120.300 0.060 0.000 2.326 57 Y HA 0.458 5.008 4.550 -0.000 0.000 0.337 57 Y C 0.279 176.194 175.900 0.025 0.000 1.023 57 Y CA -0.393 57.725 58.100 0.030 0.000 1.143 57 Y CB 1.128 39.602 38.460 0.023 0.000 1.183 57 Y HN 0.368 nan 8.280 nan 0.000 0.485 58 I N 5.054 125.705 120.570 0.135 0.000 2.325 58 I HA 0.198 4.368 4.170 -0.000 0.000 0.291 58 I C -0.045 176.108 176.117 0.060 0.000 1.019 58 I CA -0.479 60.863 61.300 0.071 0.000 1.302 58 I CB 0.700 38.706 38.000 0.010 0.000 1.401 58 I HN 0.417 nan 8.210 nan 0.000 0.485 59 K N 6.064 126.492 120.400 0.046 0.000 2.339 59 K HA 0.560 4.880 4.320 -0.000 0.000 0.264 59 K C 0.203 176.801 176.600 -0.004 0.000 0.986 59 K CA 0.121 56.419 56.287 0.019 0.000 0.866 59 K CB 1.371 33.881 32.500 0.018 0.000 1.103 59 K HN 0.866 nan 8.250 nan 0.000 0.441 60 G N 2.348 111.136 108.800 -0.021 0.000 2.553 60 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.242 60 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.242 60 G C -0.722 174.150 174.900 -0.047 0.000 1.277 60 G CA -0.499 44.583 45.100 -0.031 0.000 0.910 60 G HN 0.526 nan 8.290 nan 0.000 0.576 61 T N 0.976 115.504 114.554 -0.043 0.000 2.767 61 T HA 0.601 4.951 4.350 -0.000 0.000 0.288 61 T C 0.402 175.079 174.700 -0.038 0.000 0.963 61 T CA -0.040 62.028 62.100 -0.054 0.000 1.019 61 T CB 0.866 69.705 68.868 -0.048 0.000 0.923 61 T HN 0.553 nan 8.240 nan 0.000 0.468 62 I N 3.353 123.895 120.570 -0.047 0.000 2.359 62 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 62 I C -0.165 175.945 176.117 -0.011 0.000 1.018 62 I CA -0.778 60.513 61.300 -0.016 0.000 1.173 62 I CB 1.214 39.218 38.000 0.007 0.000 1.326 62 I HN 0.484 nan 8.210 nan 0.000 0.462 63 D N 7.077 127.478 120.400 0.002 0.000 2.280 63 D HA 0.221 4.861 4.640 -0.000 0.000 0.243 63 D C 0.670 176.993 176.300 0.039 0.000 1.129 63 D CA -0.290 53.718 54.000 0.013 0.000 0.848 63 D CB 1.295 42.100 40.800 0.009 0.000 1.107 63 D HN 0.343 nan 8.370 nan 0.000 0.471 64 M N 2.184 121.816 119.600 0.053 0.000 2.541 64 M HA 0.035 4.515 4.480 -0.000 0.000 0.252 64 M C 0.334 176.693 176.300 0.098 0.000 1.125 64 M CA 0.253 55.597 55.300 0.075 0.000 1.091 64 M CB -0.313 32.335 32.600 0.080 0.000 1.420 64 M HN 0.279 nan 8.290 nan 0.000 0.486 65 N N 2.336 121.106 118.700 0.117 0.000 3.331 65 N HA 0.225 4.965 4.740 -0.000 0.000 0.303 65 N C -0.558 175.022 175.510 0.117 0.000 1.326 65 N CA 0.107 53.275 53.050 0.197 0.000 1.207 65 N CB 0.654 39.300 38.487 0.265 0.000 1.477 65 N HN 0.127 nan 8.380 nan 0.000 0.541 66 V N -2.048 117.919 119.914 0.088 0.000 3.040 66 V HA 0.562 4.682 4.120 -0.000 0.000 0.312 66 V C -0.131 175.986 176.094 0.038 0.000 1.115 66 V CA -1.177 61.146 62.300 0.038 0.000 0.998 66 V CB 2.149 33.988 31.823 0.026 0.000 1.042 66 V HN 0.108 nan 8.190 nan 0.000 0.433 67 D N 0.353 120.758 120.400 0.009 0.000 2.469 67 D HA 0.256 4.896 4.640 -0.000 0.000 0.278 67 D C 0.448 176.758 176.300 0.016 0.000 1.231 67 D CA -0.257 53.751 54.000 0.012 0.000 1.075 67 D CB 0.286 41.081 40.800 -0.010 0.000 1.121 67 D HN 0.479 nan 8.370 nan 0.000 0.571 68 D N -1.344 119.065 120.400 0.014 0.000 2.348 68 D HA -0.052 4.588 4.640 -0.000 0.000 0.216 68 D C 0.355 176.659 176.300 0.007 0.000 0.970 68 D CA 0.502 54.510 54.000 0.012 0.000 0.889 68 D CB -0.175 40.632 40.800 0.012 0.000 0.912 68 D HN 0.295 nan 8.370 nan 0.000 0.524 69 N N 0.284 118.985 118.700 0.002 0.000 2.251 69 N HA 0.120 4.860 4.740 -0.000 0.000 0.217 69 N C 0.610 176.119 175.510 -0.001 0.000 1.124 69 N CA -0.075 52.975 53.050 -0.000 0.000 0.843 69 N CB 0.888 39.373 38.487 -0.003 0.000 1.024 69 N HN 0.139 nan 8.380 nan 0.000 0.501 70 L N -0.928 120.296 121.223 0.002 0.000 4.291 70 L HA -0.241 4.099 4.340 -0.000 0.000 0.413 70 L C -0.382 176.486 176.870 -0.004 0.000 1.162 70 L CA 0.894 55.735 54.840 0.002 0.000 0.961 70 L CB -1.126 40.934 42.059 0.002 0.000 2.095 70 L HN 0.054 nan 8.230 nan 0.000 0.838 71 K N 0.941 121.334 120.400 -0.011 0.000 2.234 71 K HA 0.440 4.760 4.320 -0.000 0.000 0.282 71 K C -2.114 174.468 176.600 -0.029 0.000 1.039 71 K CA -1.921 54.353 56.287 -0.021 0.000 0.928 71 K CB 0.684 33.167 32.500 -0.028 0.000 1.039 71 K HN -0.179 nan 8.250 nan 0.000 0.470 72 P HA 0.091 nan 4.420 nan 0.000 0.264 72 P C -0.497 176.756 177.300 -0.078 0.000 1.193 72 P CA 0.151 63.231 63.100 -0.033 0.000 0.763 72 P CB 0.435 32.119 31.700 -0.026 0.000 0.810 73 L N 2.736 123.897 121.223 -0.103 0.000 2.322 73 L HA 0.716 5.056 4.340 -0.000 0.000 0.281 73 L C 1.052 177.756 176.870 -0.276 0.000 1.014 73 L CA -0.246 54.428 54.840 -0.276 0.000 0.815 73 L CB 1.879 43.647 42.059 -0.484 0.000 1.247 73 L HN 0.470 nan 8.230 nan 0.000 0.421 74 G N 1.136 109.715 108.800 -0.370 0.000 3.209 74 G HA2 0.288 4.247 3.960 -0.000 0.000 0.236 74 G HA3 0.288 4.247 3.960 -0.000 0.000 0.236 74 G C 0.487 174.999 174.900 -0.646 0.000 1.329 74 G CA -0.619 44.230 45.100 -0.419 0.000 1.015 74 G HN 0.436 nan 8.290 nan 0.000 0.571 75 L N 0.198 120.955 121.223 -0.778 0.000 1.990 75 L HA -0.141 4.199 4.340 -0.000 0.000 0.213 75 L C 2.135 178.960 176.870 -0.076 0.000 1.072 75 L CA 2.340 56.874 54.840 -0.510 0.000 0.755 75 L CB -1.163 40.759 42.059 -0.228 0.000 0.889 75 L HN 0.664 nan 8.230 nan 0.000 0.432 76 N N -0.376 118.278 118.700 -0.078 0.000 2.381 76 N HA -0.159 4.581 4.740 -0.000 0.000 0.182 76 N C 1.241 176.736 175.510 -0.025 0.000 1.025 76 N CA 1.166 54.216 53.050 -0.000 0.000 0.888 76 N CB 0.065 38.543 38.487 -0.015 0.000 0.965 76 N HN 0.476 nan 8.380 nan 0.000 0.438 77 D N -0.259 120.056 120.400 -0.143 0.000 2.194 77 D HA -0.086 4.554 4.640 -0.000 0.000 0.204 77 D C 1.005 177.237 176.300 -0.114 0.000 0.964 77 D CA 0.993 54.877 54.000 -0.192 0.000 0.846 77 D CB 0.037 40.616 40.800 -0.368 0.000 0.962 77 D HN 0.384 nan 8.370 nan 0.000 0.490 78 Y N 1.070 121.415 120.300 0.075 0.000 2.448 78 Y HA 0.123 4.673 4.550 -0.000 0.000 0.289 78 Y C 1.191 177.167 175.900 0.126 0.000 1.114 78 Y CA -0.143 58.047 58.100 0.150 0.000 1.235 78 Y CB -0.120 38.527 38.460 0.312 0.000 1.045 78 Y HN -0.268 nan 8.280 nan 0.000 0.554 79 K N 2.375 122.993 120.400 0.363 0.000 2.489 79 K HA -0.098 4.222 4.320 -0.000 0.000 0.278 79 K C 0.061 176.714 176.600 0.088 0.000 1.000 79 K CA 0.138 56.562 56.287 0.228 0.000 1.012 79 K CB 0.137 32.853 32.500 0.360 0.000 0.903 79 K HN 0.159 nan 8.250 nan 0.000 0.485 80 D N 4.484 124.881 120.400 -0.004 0.000 2.341 80 D HA 0.045 4.684 4.640 -0.000 0.000 0.245 80 D C -1.714 174.644 176.300 0.097 0.000 1.106 80 D CA -1.813 52.203 54.000 0.026 0.000 0.905 80 D CB 1.326 42.117 40.800 -0.014 0.000 1.202 80 D HN 0.280 nan 8.370 nan 0.000 0.426 81 P HA -0.138 nan 4.420 nan 0.000 0.216 81 P C 0.536 177.886 177.300 0.083 0.000 1.150 81 P CA 1.364 64.507 63.100 0.073 0.000 0.843 81 P CB 0.203 31.933 31.700 0.050 0.000 0.787 82 E N -2.687 117.569 120.200 0.094 0.000 2.385 82 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 82 E C 0.376 177.058 176.600 0.136 0.000 1.013 82 E CA -0.165 56.292 56.400 0.095 0.000 0.866 82 E CB -0.254 29.499 29.700 0.088 0.000 0.832 82 E HN 0.289 nan 8.360 nan 0.000 0.500 83 Y N 2.296 122.628 120.300 0.052 0.000 2.442 83 Y HA 0.100 4.650 4.550 0.000 0.000 0.330 83 Y C -0.682 175.279 175.900 0.102 0.000 1.129 83 Y CA -0.121 58.030 58.100 0.085 0.000 1.365 83 Y CB 0.642 39.132 38.460 0.051 0.000 1.233 83 Y HN -0.204 nan 8.280 nan 0.000 0.529 84 D N 5.155 125.185 120.400 -0.617 0.000 2.763 84 D HA 0.120 4.760 4.640 -0.000 0.000 0.235 84 D C 0.036 175.953 176.300 -0.638 0.000 1.334 84 D CA -0.568 53.129 54.000 -0.505 0.000 0.950 84 D CB 1.093 41.773 40.800 -0.201 0.000 1.433 84 D HN 0.531 nan 8.370 nan 0.000 0.580 85 L N 3.599 124.476 121.223 -0.577 0.000 2.042 85 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 85 L C 1.220 177.960 176.870 -0.216 0.000 1.076 85 L CA 2.063 56.706 54.840 -0.328 0.000 0.749 85 L CB -0.371 41.583 42.059 -0.175 0.000 0.893 85 L HN 0.537 nan 8.230 nan 0.000 0.432 86 D N -0.258 120.021 120.400 -0.201 0.000 2.117 86 D HA -0.188 4.452 4.640 -0.000 0.000 0.197 86 D C 2.157 178.378 176.300 -0.132 0.000 0.987 86 D CA 1.390 55.289 54.000 -0.167 0.000 0.829 86 D CB -0.045 40.679 40.800 -0.127 0.000 0.961 86 D HN 0.441 nan 8.370 nan 0.000 0.460 87 K N -0.555 119.769 120.400 -0.126 0.000 2.155 87 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 87 K C 2.110 178.638 176.600 -0.121 0.000 1.052 87 K CA 0.384 56.600 56.287 -0.119 0.000 0.948 87 K CB -0.138 32.298 32.500 -0.105 0.000 0.728 87 K HN 0.159 nan 8.250 nan 0.000 0.448 88 Y N 1.882 122.080 120.300 -0.169 0.000 2.145 88 Y HA -0.199 4.351 4.550 -0.000 0.000 0.286 88 Y C 1.810 177.690 175.900 -0.033 0.000 1.145 88 Y CA 1.381 59.462 58.100 -0.031 0.000 1.148 88 Y CB -0.140 38.418 38.460 0.163 0.000 0.981 88 Y HN -0.085 nan 8.280 nan 0.000 0.507 89 L N -0.024 121.266 121.223 0.112 0.000 2.046 89 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 89 L C 2.458 179.334 176.870 0.011 0.000 1.077 89 L CA 1.654 56.522 54.840 0.047 0.000 0.747 89 L CB -0.552 41.375 42.059 -0.219 0.000 0.896 89 L HN 0.155 nan 8.230 nan 0.000 0.432 90 K N 0.006 120.348 120.400 -0.097 0.000 2.057 90 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 90 K C 2.247 178.717 176.600 -0.218 0.000 1.049 90 K CA 1.377 57.596 56.287 -0.115 0.000 0.931 90 K CB -0.236 32.196 32.500 -0.114 0.000 0.714 90 K HN 0.285 nan 8.250 nan 0.000 0.440 91 A N 0.696 123.246 122.820 -0.449 0.000 1.877 91 A HA -0.146 4.173 4.320 -0.000 0.000 0.216 91 A C 1.268 178.295 177.584 -0.929 0.000 1.186 91 A CA 1.321 52.885 52.037 -0.788 0.000 0.620 91 A CB -0.506 17.682 19.000 -1.354 0.000 0.822 91 A HN 0.312 nan 8.150 nan 0.000 0.443 92 Y N 0.304 120.318 120.300 -0.476 0.000 2.571 92 Y HA 0.225 4.775 4.550 0.000 0.000 0.275 92 Y C 0.342 176.014 175.900 -0.380 0.000 1.179 92 Y CA -1.551 56.183 58.100 -0.610 0.000 1.242 92 Y CB -0.379 37.653 38.460 -0.713 0.000 1.126 92 Y HN 0.205 nan 8.280 nan 0.000 0.524 93 D N 2.249 122.524 120.400 -0.208 0.000 2.472 93 D HA -0.039 4.601 4.640 -0.000 0.000 0.248 93 D C -1.676 174.477 176.300 -0.245 0.000 1.174 93 D CA -1.286 52.468 54.000 -0.410 0.000 0.883 93 D CB 1.492 42.229 40.800 -0.104 0.000 1.149 93 D HN 0.086 nan 8.370 nan 0.000 0.488 94 P HA -0.207 nan 4.420 nan 0.000 0.217 94 P C 1.453 178.750 177.300 -0.004 0.000 1.151 94 P CA 1.676 64.731 63.100 -0.075 0.000 0.849 94 P CB 0.051 31.698 31.700 -0.088 0.000 0.787 95 S N -1.524 114.157 115.700 -0.033 0.000 2.399 95 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 95 S C 1.852 176.463 174.600 0.017 0.000 1.022 95 S CA 2.027 60.227 58.200 -0.000 0.000 0.983 95 S CB -1.743 61.456 63.200 -0.002 0.000 0.803 95 S HN 0.324 nan 8.310 nan 0.000 0.480 96 T N -4.061 110.517 114.554 0.039 0.000 3.042 96 T HA 0.129 4.479 4.350 -0.000 0.000 0.245 96 T C 1.563 176.335 174.700 0.120 0.000 1.029 96 T CA 0.137 62.274 62.100 0.061 0.000 1.120 96 T CB -0.657 68.246 68.868 0.058 0.000 0.917 96 T HN 0.594 nan 8.240 nan 0.000 0.467 97 W N 2.982 124.257 121.300 -0.041 0.000 2.576 97 W HA 0.337 4.996 4.660 -0.001 0.000 0.275 97 W C 0.983 177.511 176.519 0.015 0.000 1.241 97 W CA 1.086 58.433 57.345 0.003 0.000 1.328 97 W CB -0.156 29.336 29.460 0.053 0.000 1.092 97 W HN 0.597 nan 8.180 nan 0.000 0.586 98 G N 1.561 110.424 108.800 0.105 0.000 2.615 98 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 98 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 98 G C -0.100 174.865 174.900 0.108 0.000 1.339 98 G CA -0.046 45.064 45.100 0.016 0.000 0.884 98 G HN 0.128 nan 8.290 nan 0.000 0.559 99 K N 0.684 121.105 120.400 0.036 0.000 2.969 99 K HA 0.239 4.559 4.320 -0.000 0.000 0.222 99 K C 0.792 177.406 176.600 0.023 0.000 1.172 99 K CA 0.195 56.514 56.287 0.054 0.000 1.192 99 K CB -0.377 32.131 32.500 0.014 0.000 1.111 99 K HN 0.633 nan 8.250 nan 0.000 0.457 100 K N -0.215 120.213 120.400 0.046 0.000 2.208 100 K HA 0.229 4.549 4.320 -0.000 0.000 0.247 100 K C -0.619 176.127 176.600 0.243 0.000 0.953 100 K CA -0.828 55.480 56.287 0.036 0.000 0.837 100 K CB 1.545 33.971 32.500 -0.124 0.000 1.131 100 K HN -0.071 nan 8.250 nan 0.000 0.431 101 E N 2.788 123.067 120.200 0.131 0.000 2.465 101 E HA 0.054 4.404 4.350 -0.000 0.000 0.260 101 E C -1.977 174.757 176.600 0.223 0.000 0.980 101 E CA -1.678 54.778 56.400 0.093 0.000 0.927 101 E CB 0.371 30.077 29.700 0.010 0.000 0.934 101 E HN 0.378 nan 8.360 nan 0.000 0.459 102 P HA -0.046 nan 4.420 nan 0.000 0.265 102 P C -1.159 176.009 177.300 -0.220 0.000 1.193 102 P CA 0.326 63.084 63.100 -0.570 0.000 0.765 102 P CB 0.782 31.706 31.700 -1.293 0.000 0.823 103 S N 1.074 116.778 115.700 0.007 0.000 2.625 103 S HA 0.867 5.337 4.470 -0.000 0.000 0.271 103 S C -0.161 174.600 174.600 0.268 0.000 1.161 103 S CA -0.162 58.141 58.200 0.172 0.000 0.820 103 S CB 1.525 64.880 63.200 0.259 0.000 1.137 103 S HN 0.881 nan 8.310 nan 0.000 0.470 104 G N 0.555 109.479 108.800 0.207 0.000 2.610 104 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.304 104 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.304 104 G C 0.462 175.459 174.900 0.162 0.000 1.309 104 G CA 0.146 45.361 45.100 0.191 0.000 0.906 104 G HN 1.366 nan 8.290 nan 0.000 0.521 105 T N 0.522 115.150 114.554 0.124 0.000 2.597 105 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 105 T C 2.384 177.180 174.700 0.160 0.000 1.053 105 T CA 2.295 64.462 62.100 0.111 0.000 1.165 105 T CB -0.295 68.614 68.868 0.070 0.000 0.863 105 T HN 0.532 nan 8.240 nan 0.000 0.427 106 Q N 0.338 120.244 119.800 0.176 0.000 2.119 106 Q HA -0.064 4.276 4.340 -0.000 0.000 0.201 106 Q C 2.394 178.700 176.000 0.510 0.000 0.972 106 Q CA 1.289 57.284 55.803 0.320 0.000 0.847 106 Q CB -0.397 28.461 28.738 0.200 0.000 0.903 106 Q HN 0.557 nan 8.270 nan 0.000 0.433 107 E N 1.276 121.723 120.200 0.412 0.000 2.106 107 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 107 E C 1.557 178.279 176.600 0.204 0.000 0.984 107 E CA 1.216 57.800 56.400 0.307 0.000 0.806 107 E CB 0.072 29.765 29.700 -0.011 0.000 0.750 107 E HN 0.376 nan 8.360 nan 0.000 0.458 108 E N -0.102 120.194 120.200 0.160 0.000 2.106 108 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 108 E C 2.028 178.679 176.600 0.086 0.000 0.984 108 E CA 0.903 57.363 56.400 0.100 0.000 0.806 108 E CB -0.182 29.571 29.700 0.088 0.000 0.750 108 E HN 0.387 nan 8.360 nan 0.000 0.458 109 A N 1.764 124.668 122.820 0.140 0.000 1.898 109 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 109 A C 2.134 179.714 177.584 -0.007 0.000 1.181 109 A CA 1.248 53.359 52.037 0.122 0.000 0.620 109 A CB -0.410 18.736 19.000 0.244 0.000 0.819 109 A HN 0.055 nan 8.150 nan 0.000 0.442 110 R N -0.290 120.240 120.500 0.051 0.000 2.081 110 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 110 R C 2.288 178.418 176.300 -0.283 0.000 1.131 110 R CA 1.417 57.333 56.100 -0.307 0.000 0.960 110 R CB -0.410 29.878 30.300 -0.019 0.000 0.856 110 R HN 0.429 nan 8.270 nan 0.000 0.436 111 A N 1.233 124.000 122.820 -0.089 0.000 1.933 111 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 111 A C 2.182 179.698 177.584 -0.114 0.000 1.175 111 A CA 1.242 53.233 52.037 -0.077 0.000 0.628 111 A CB -0.408 18.583 19.000 -0.015 0.000 0.814 111 A HN 0.342 nan 8.150 nan 0.000 0.444 112 R N -0.375 120.055 120.500 -0.117 0.000 2.092 112 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 112 R C 2.476 178.657 176.300 -0.197 0.000 1.119 112 R CA 1.417 57.451 56.100 -0.109 0.000 0.970 112 R CB -0.355 29.908 30.300 -0.062 0.000 0.864 112 R HN 0.513 nan 8.270 nan 0.000 0.440 113 S N 0.894 116.347 115.700 -0.412 0.000 2.368 113 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 113 S C 1.880 176.129 174.600 -0.585 0.000 1.030 113 S CA 1.015 58.761 58.200 -0.756 0.000 0.999 113 S CB -0.165 61.978 63.200 -1.761 0.000 0.844 113 S HN 0.327 nan 8.310 nan 0.000 0.459 114 Q N 1.368 120.926 119.800 -0.403 0.000 2.084 114 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 114 Q C 1.825 177.838 176.000 0.022 0.000 0.978 114 Q CA 1.343 57.131 55.803 -0.025 0.000 0.844 114 Q CB -0.158 28.576 28.738 -0.006 0.000 0.898 114 Q HN 0.481 nan 8.270 nan 0.000 0.426 115 K N 0.152 120.536 120.400 -0.027 0.000 2.147 115 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 115 K C 1.781 178.392 176.600 0.019 0.000 1.049 115 K CA 1.151 57.445 56.287 0.012 0.000 0.936 115 K CB -0.038 32.462 32.500 -0.001 0.000 0.722 115 K HN 0.237 nan 8.250 nan 0.000 0.446 116 N N 1.211 119.913 118.700 0.004 0.000 2.166 116 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 116 N C 1.788 177.306 175.510 0.013 0.000 1.019 116 N CA 1.146 54.239 53.050 0.071 0.000 0.856 116 N CB -0.150 38.425 38.487 0.146 0.000 0.993 116 N HN 0.341 nan 8.380 nan 0.000 0.426 117 Q N 1.056 120.731 119.800 -0.210 0.000 2.083 117 Q HA -0.048 4.291 4.340 -0.000 0.000 0.198 117 Q C 1.997 177.864 176.000 -0.222 0.000 0.969 117 Q CA 1.075 56.505 55.803 -0.621 0.000 0.838 117 Q CB 0.098 28.506 28.738 -0.549 0.000 0.900 117 Q HN 0.214 nan 8.270 nan 0.000 0.436 118 K N -0.001 120.399 120.400 -0.000 0.000 2.074 118 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 118 K C 1.889 178.497 176.600 0.012 0.000 1.048 118 K CA 1.334 57.662 56.287 0.068 0.000 0.926 118 K CB -0.282 32.328 32.500 0.183 0.000 0.713 118 K HN 0.285 nan 8.250 nan 0.000 0.444 119 A N 1.411 124.248 122.820 0.028 0.000 1.978 119 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 119 A C 1.962 179.572 177.584 0.044 0.000 1.170 119 A CA 1.341 53.403 52.037 0.042 0.000 0.636 119 A CB -0.296 18.740 19.000 0.060 0.000 0.810 119 A HN 0.272 nan 8.150 nan 0.000 0.448 120 R N -1.253 119.275 120.500 0.047 0.000 2.128 120 R HA 0.137 4.477 4.340 -0.000 0.000 0.211 120 R C 1.926 178.243 176.300 0.029 0.000 1.067 120 R CA 1.153 57.297 56.100 0.074 0.000 1.010 120 R CB -1.086 29.322 30.300 0.179 0.000 0.922 120 R HN 0.402 nan 8.270 nan 0.000 0.457 121 V N 1.036 120.915 119.914 -0.058 0.000 2.878 121 V HA 0.105 4.225 4.120 -0.000 0.000 0.250 121 V C 1.323 177.384 176.094 -0.055 0.000 1.075 121 V CA 0.745 62.980 62.300 -0.110 0.000 1.096 121 V CB -0.113 31.489 31.823 -0.367 0.000 0.724 121 V HN 0.159 nan 8.190 nan 0.000 0.467 122 M N 0.645 120.221 119.600 -0.039 0.000 2.108 122 M HA 0.378 4.858 4.480 -0.000 0.000 0.354 122 M C -1.235 175.104 176.300 0.065 0.000 1.229 122 M CA 0.138 55.468 55.300 0.050 0.000 1.081 122 M CB 1.606 34.255 32.600 0.080 0.000 1.606 122 M HN -0.000 nan 8.290 nan 0.000 0.467 123 V N 3.126 123.095 119.914 0.092 0.000 2.735 123 V HA 0.382 4.502 4.120 -0.000 0.000 0.310 123 V C -0.749 175.336 176.094 -0.015 0.000 1.061 123 V CA -0.919 61.390 62.300 0.015 0.000 0.913 123 V CB 2.386 34.185 31.823 -0.040 0.000 1.005 123 V HN 0.651 nan 8.190 nan 0.000 0.428 124 D N 3.306 123.683 120.400 -0.038 0.000 2.177 124 D HA 0.473 5.113 4.640 -0.000 0.000 0.247 124 D C -0.466 175.782 176.300 -0.086 0.000 1.063 124 D CA -0.245 53.734 54.000 -0.035 0.000 0.867 124 D CB 1.585 42.378 40.800 -0.012 0.000 1.168 124 D HN 0.150 nan 8.370 nan 0.000 0.445 125 I N 4.478 125.001 120.570 -0.079 0.000 2.315 125 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 125 I C -2.003 174.091 176.117 -0.037 0.000 1.006 125 I CA -2.533 58.711 61.300 -0.094 0.000 1.265 125 I CB 0.699 38.648 38.000 -0.085 0.000 1.387 125 I HN 0.044 nan 8.210 nan 0.000 0.475 126 P HA 0.234 nan 4.420 nan 0.000 0.276 126 P C -0.394 176.910 177.300 0.008 0.000 1.252 126 P CA -0.469 62.624 63.100 -0.011 0.000 0.802 126 P CB 0.881 32.571 31.700 -0.017 0.000 1.035 127 A N 1.530 124.363 122.820 0.021 0.000 2.466 127 A HA 0.096 4.415 4.320 -0.000 0.000 0.238 127 A C 0.585 178.190 177.584 0.034 0.000 1.074 127 A CA 0.008 52.067 52.037 0.036 0.000 0.774 127 A CB -1.015 18.008 19.000 0.039 0.000 1.015 127 A HN 0.742 nan 8.150 nan 0.000 0.498 128 N N -0.150 118.576 118.700 0.044 0.000 2.681 128 N HA -0.124 4.616 4.740 -0.000 0.000 0.259 128 N C -0.675 174.854 175.510 0.031 0.000 1.066 128 N CA 1.547 54.619 53.050 0.038 0.000 0.717 128 N CB -1.514 36.990 38.487 0.030 0.000 0.885 128 N HN 0.728 nan 8.380 nan 0.000 0.547 129 T N 0.353 114.928 114.554 0.035 0.000 2.921 129 T HA 0.458 4.808 4.350 -0.000 0.000 0.297 129 T C 0.021 174.732 174.700 0.019 0.000 1.013 129 T CA -0.358 61.753 62.100 0.019 0.000 0.990 129 T CB 2.282 71.153 68.868 0.005 0.000 1.023 129 T HN 0.039 nan 8.240 nan 0.000 0.447 130 T N 3.461 118.005 114.554 -0.016 0.000 2.792 130 T HA 0.602 4.952 4.350 -0.000 0.000 0.280 130 T C -0.269 174.384 174.700 -0.079 0.000 0.990 130 T CA -0.473 61.604 62.100 -0.038 0.000 0.960 130 T CB 0.364 69.183 68.868 -0.082 0.000 0.939 130 T HN 0.432 nan 8.240 nan 0.000 0.439 131 I N 4.336 124.881 120.570 -0.042 0.000 2.382 131 I HA 0.510 4.680 4.170 -0.000 0.000 0.285 131 I C -0.234 175.847 176.117 -0.060 0.000 1.007 131 I CA -1.070 60.209 61.300 -0.036 0.000 1.142 131 I CB 1.394 39.439 38.000 0.075 0.000 1.289 131 I HN 0.352 nan 8.210 nan 0.000 0.453 132 V N 2.269 122.086 119.914 -0.162 0.000 2.823 132 V HA 0.861 4.981 4.120 -0.000 0.000 0.312 132 V C 0.271 176.333 176.094 -0.053 0.000 1.072 132 V CA -0.688 61.531 62.300 -0.135 0.000 0.937 132 V CB 1.511 33.212 31.823 -0.203 0.000 1.013 132 V HN 0.717 nan 8.190 nan 0.000 0.430 133 G N 1.527 110.311 108.800 -0.027 0.000 2.390 133 G HA2 0.465 4.425 3.960 -0.000 0.000 0.270 133 G HA3 0.465 4.425 3.960 -0.000 0.000 0.270 133 G C -0.079 174.867 174.900 0.077 0.000 1.211 133 G CA -0.292 44.806 45.100 -0.003 0.000 0.842 133 G HN 0.868 nan 8.290 nan 0.000 0.519 134 S N 0.761 116.523 115.700 0.104 0.000 2.489 134 S HA 0.617 5.087 4.470 -0.000 0.000 0.277 134 S C 1.038 175.647 174.600 0.015 0.000 1.230 134 S CA 0.665 58.920 58.200 0.091 0.000 1.053 134 S CB 0.723 63.959 63.200 0.061 0.000 0.955 134 S HN 1.741 nan 8.310 nan 0.000 0.488 135 G N 3.015 111.815 108.800 0.000 0.000 2.569 135 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.259 135 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.259 135 G C 0.623 175.507 174.900 -0.027 0.000 1.263 135 G CA 0.288 45.376 45.100 -0.020 0.000 0.928 135 G HN 1.141 nan 8.290 nan 0.000 0.572 136 T N -2.388 112.148 114.554 -0.031 0.000 3.092 136 T HA 0.314 4.664 4.350 -0.000 0.000 0.258 136 T C 0.952 175.629 174.700 -0.038 0.000 1.031 136 T CA 0.997 63.077 62.100 -0.033 0.000 0.925 136 T CB -0.076 68.775 68.868 -0.027 0.000 1.036 136 T HN 1.401 nan 8.240 nan 0.000 0.544 137 N N 0.873 119.547 118.700 -0.043 0.000 2.305 137 N HA 0.354 5.094 4.740 -0.000 0.000 0.248 137 N C -0.087 175.380 175.510 -0.071 0.000 1.290 137 N CA -0.508 52.511 53.050 -0.052 0.000 0.873 137 N CB 0.146 38.609 38.487 -0.040 0.000 1.261 137 N HN 0.390 nan 8.380 nan 0.000 0.504 138 A N 0.920 123.692 122.820 -0.081 0.000 2.492 138 A HA 0.465 4.785 4.320 -0.000 0.000 0.254 138 A C -0.025 177.452 177.584 -0.177 0.000 1.091 138 A CA 0.144 52.118 52.037 -0.105 0.000 0.768 138 A CB 0.220 19.166 19.000 -0.090 0.000 1.028 138 A HN 0.341 nan 8.150 nan 0.000 0.498 139 K N 1.324 121.613 120.400 -0.185 0.000 2.469 139 K HA 0.607 4.927 4.320 -0.000 0.000 0.254 139 K C -1.644 174.791 176.600 -0.274 0.000 0.939 139 K CA -0.705 55.430 56.287 -0.253 0.000 0.812 139 K CB 2.754 35.151 32.500 -0.171 0.000 1.301 139 K HN 0.346 nan 8.250 nan 0.000 0.433 140 V N 2.731 122.402 119.914 -0.405 0.000 2.376 140 V HA 0.317 4.437 4.120 -0.000 0.000 0.287 140 V C -0.842 175.135 176.094 -0.196 0.000 1.015 140 V CA -0.835 61.266 62.300 -0.331 0.000 0.834 140 V CB 1.639 33.130 31.823 -0.554 0.000 1.001 140 V HN 0.459 nan 8.190 nan 0.000 0.428 141 V N 4.259 124.118 119.914 -0.092 0.000 2.417 141 V HA 0.750 4.870 4.120 -0.000 0.000 0.291 141 V C 1.156 177.252 176.094 0.003 0.000 1.024 141 V CA 0.631 62.906 62.300 -0.042 0.000 0.861 141 V CB 0.872 32.670 31.823 -0.041 0.000 0.985 141 V HN 1.113 nan 8.190 nan 0.000 0.436 142 G N 4.006 112.826 108.800 0.032 0.000 2.267 142 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.257 142 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.257 142 G C 0.636 175.556 174.900 0.034 0.000 0.998 142 G CA 0.060 45.190 45.100 0.050 0.000 0.620 142 G HN 1.336 nan 8.290 nan 0.000 0.529 143 G N -0.358 108.470 108.800 0.047 0.000 2.537 143 G HA2 0.476 4.436 3.960 -0.000 0.000 0.273 143 G HA3 0.476 4.436 3.960 -0.000 0.000 0.273 143 G C -0.289 174.663 174.900 0.086 0.000 1.189 143 G CA 0.239 45.386 45.100 0.077 0.000 0.881 143 G HN 0.682 nan 8.290 nan 0.000 0.535 144 N N -0.063 118.721 118.700 0.139 0.000 2.531 144 N HA 0.333 5.073 4.740 -0.000 0.000 0.268 144 N C -1.121 174.590 175.510 0.335 0.000 1.023 144 N CA -0.651 52.502 53.050 0.172 0.000 0.896 144 N CB 0.682 39.268 38.487 0.166 0.000 1.233 144 N HN 0.117 nan 8.380 nan 0.000 0.512 145 F N 1.937 121.935 119.950 0.080 0.000 2.427 145 F HA 0.263 4.790 4.527 -0.000 0.000 0.352 145 F C 0.705 176.530 175.800 0.042 0.000 1.100 145 F CA -0.605 57.438 58.000 0.072 0.000 1.191 145 F CB 1.196 40.255 39.000 0.099 0.000 1.128 145 F HN 0.477 nan 8.300 nan 0.000 0.533 146 Q N 3.953 123.868 119.800 0.192 0.000 2.333 146 Q HA 0.627 4.967 4.340 -0.000 0.000 0.267 146 Q C -1.523 174.522 176.000 0.075 0.000 1.012 146 Q CA -0.515 55.357 55.803 0.115 0.000 0.824 146 Q CB 1.400 30.191 28.738 0.089 0.000 1.290 146 Q HN 0.657 nan 8.270 nan 0.000 0.449 147 I N 4.493 125.104 120.570 0.069 0.000 2.382 147 I HA 0.274 4.444 4.170 -0.000 0.000 0.285 147 I C 0.186 176.326 176.117 0.037 0.000 1.007 147 I CA -0.389 60.943 61.300 0.053 0.000 1.142 147 I CB 1.425 39.465 38.000 0.068 0.000 1.289 147 I HN 0.661 nan 8.210 nan 0.000 0.453 148 K N 3.128 123.545 120.400 0.029 0.000 2.374 148 K HA 0.172 4.491 4.320 -0.000 0.000 0.202 148 K C 0.702 177.317 176.600 0.024 0.000 1.040 148 K CA 0.009 56.308 56.287 0.020 0.000 1.085 148 K CB 0.765 33.275 32.500 0.016 0.000 0.873 148 K HN 0.696 nan 8.250 nan 0.000 0.539 149 S N 0.234 115.955 115.700 0.034 0.000 2.745 149 S HA 0.287 4.757 4.470 -0.000 0.000 0.292 149 S C -0.540 174.102 174.600 0.070 0.000 1.127 149 S CA -0.809 57.418 58.200 0.045 0.000 1.007 149 S CB 1.550 64.774 63.200 0.039 0.000 1.165 149 S HN 0.053 nan 8.310 nan 0.000 0.544 150 D N -0.561 119.893 120.400 0.089 0.000 2.228 150 D HA 0.447 5.087 4.640 -0.000 0.000 0.247 150 D C -0.797 175.585 176.300 0.136 0.000 0.995 150 D CA -0.091 53.994 54.000 0.142 0.000 0.903 150 D CB 0.554 41.453 40.800 0.165 0.000 1.205 150 D HN 0.655 nan 8.370 nan 0.000 0.459 151 N N 1.730 120.542 118.700 0.186 0.000 2.621 151 N HA -0.145 4.595 4.740 -0.000 0.000 0.269 151 N C -1.968 173.620 175.510 0.130 0.000 1.154 151 N CA 0.483 53.624 53.050 0.153 0.000 0.696 151 N CB -0.779 37.757 38.487 0.082 0.000 0.878 151 N HN 0.156 nan 8.380 nan 0.000 0.550 152 V N 3.741 123.751 119.914 0.160 0.000 2.638 152 V HA 0.608 4.728 4.120 -0.000 0.000 0.306 152 V C 0.470 176.676 176.094 0.188 0.000 1.052 152 V CA -0.663 61.722 62.300 0.141 0.000 0.885 152 V CB 2.027 33.921 31.823 0.119 0.000 0.999 152 V HN 0.299 nan 8.190 nan 0.000 0.424 153 I N 5.364 126.030 120.570 0.160 0.000 2.436 153 I HA 0.558 4.728 4.170 -0.000 0.000 0.289 153 I C -0.949 175.217 176.117 0.081 0.000 1.010 153 I CA -0.407 60.995 61.300 0.169 0.000 1.098 153 I CB 1.971 40.088 38.000 0.196 0.000 1.266 153 I HN 0.435 nan 8.210 nan 0.000 0.434 154 I N 6.676 127.278 120.570 0.054 0.000 2.439 154 I HA 0.493 4.663 4.170 -0.000 0.000 0.285 154 I C -0.451 175.649 176.117 -0.029 0.000 1.021 154 I CA -0.413 60.935 61.300 0.081 0.000 1.091 154 I CB 1.392 39.524 38.000 0.219 0.000 1.242 154 I HN 0.503 nan 8.210 nan 0.000 0.439 155 R N 3.598 124.060 120.500 -0.062 0.000 2.740 155 R HA 0.408 4.748 4.340 -0.000 0.000 0.273 155 R C -0.225 176.028 176.300 -0.078 0.000 0.998 155 R CA -1.214 54.812 56.100 -0.124 0.000 0.900 155 R CB 1.462 31.619 30.300 -0.238 0.000 1.223 155 R HN 0.594 nan 8.270 nan 0.000 0.466 156 N N 0.629 119.291 118.700 -0.063 0.000 2.740 156 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 156 N C -1.524 173.921 175.510 -0.109 0.000 1.062 156 N CA 0.705 53.715 53.050 -0.066 0.000 0.704 156 N CB -0.797 37.650 38.487 -0.068 0.000 0.968 156 N HN 0.510 nan 8.380 nan 0.000 0.547 157 I N 0.133 120.603 120.570 -0.167 0.000 2.545 157 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 157 I C 0.362 176.225 176.117 -0.423 0.000 1.040 157 I CA -0.785 60.316 61.300 -0.331 0.000 1.068 157 I CB 1.876 39.568 38.000 -0.513 0.000 1.251 157 I HN 0.107 nan 8.210 nan 0.000 0.424 158 E N 5.674 125.621 120.200 -0.422 0.000 2.130 158 E HA 0.345 4.695 4.350 -0.000 0.000 0.284 158 E C -1.541 174.756 176.600 -0.505 0.000 1.018 158 E CA -0.494 55.674 56.400 -0.388 0.000 0.817 158 E CB 0.683 30.241 29.700 -0.236 0.000 1.078 158 E HN 0.311 nan 8.360 nan 0.000 0.396 159 F N 3.397 123.057 119.950 -0.483 0.000 2.405 159 F HA 0.278 4.805 4.527 -0.000 0.000 0.355 159 F C 0.499 176.149 175.800 -0.251 0.000 1.121 159 F CA -0.335 57.446 58.000 -0.365 0.000 1.112 159 F CB 1.376 40.161 39.000 -0.357 0.000 1.126 159 F HN 0.359 nan 8.300 nan 0.000 0.481 160 Q N 1.369 121.149 119.800 -0.035 0.000 2.365 160 Q HA 0.247 4.587 4.340 -0.000 0.000 0.269 160 Q C -1.030 174.989 176.000 0.032 0.000 1.061 160 Q CA -1.275 54.507 55.803 -0.035 0.000 0.816 160 Q CB 2.190 30.890 28.738 -0.063 0.000 1.325 160 Q HN 0.569 nan 8.270 nan 0.000 0.446 161 D N 1.479 121.911 120.400 0.052 0.000 3.091 161 D HA -0.205 4.435 4.640 -0.000 0.000 0.215 161 D C -1.130 175.317 176.300 0.244 0.000 1.214 161 D CA 0.658 54.767 54.000 0.182 0.000 0.870 161 D CB -0.368 40.523 40.800 0.151 0.000 0.874 161 D HN 0.650 nan 8.370 nan 0.000 0.393 162 A N 3.980 126.969 122.820 0.281 0.000 2.807 162 A HA 0.355 4.675 4.320 -0.000 0.000 0.307 162 A C -0.478 177.338 177.584 0.386 0.000 1.532 162 A CA -0.463 51.735 52.037 0.269 0.000 1.215 162 A CB -0.075 19.065 19.000 0.232 0.000 1.127 162 A HN 0.450 nan 8.150 nan 0.000 0.543 163 Y N 2.091 122.462 120.300 0.117 0.000 2.328 163 Y HA 0.416 4.966 4.550 -0.000 0.000 0.337 163 Y C -0.268 175.605 175.900 -0.045 0.000 1.008 163 Y CA -0.781 57.285 58.100 -0.057 0.000 1.129 163 Y CB 1.105 39.413 38.460 -0.254 0.000 1.185 163 Y HN 0.605 nan 8.280 nan 0.000 0.476 164 D N 4.507 124.753 120.400 -0.255 0.000 2.329 164 D HA 0.069 4.709 4.640 -0.000 0.000 0.232 164 D C -0.059 176.052 176.300 -0.316 0.000 1.088 164 D CA -0.111 53.846 54.000 -0.072 0.000 0.835 164 D CB 0.703 41.404 40.800 -0.165 0.000 1.078 164 D HN 0.648 nan 8.370 nan 0.000 0.495 165 Y N 2.460 122.673 120.300 -0.144 0.000 2.497 165 Y HA 0.031 4.581 4.550 -0.000 0.000 0.292 165 Y C 0.510 175.939 175.900 -0.786 0.000 1.137 165 Y CA 0.717 58.546 58.100 -0.453 0.000 1.285 165 Y CB 0.053 38.083 38.460 -0.718 0.000 0.991 165 Y HN 0.302 nan 8.280 nan 0.000 0.556 166 F N 0.002 119.994 119.950 0.070 0.000 2.523 166 F HA 0.402 4.928 4.527 -0.001 0.000 0.322 166 F C -2.589 173.133 175.800 -0.130 0.000 1.361 166 F CA -3.345 54.615 58.000 -0.066 0.000 1.151 166 F CB 0.076 38.961 39.000 -0.193 0.000 1.391 166 F HN -0.228 nan 8.300 nan 0.000 0.566 167 P HA -0.023 nan 4.420 nan 0.000 0.267 167 P C -0.433 177.030 177.300 0.273 0.000 1.200 167 P CA -0.016 63.045 63.100 -0.065 0.000 0.772 167 P CB 0.762 32.233 31.700 -0.382 0.000 0.855 168 Q N 2.813 122.767 119.800 0.256 0.000 2.241 168 Q HA 0.178 4.518 4.340 -0.000 0.000 0.254 168 Q C -1.057 175.110 176.000 0.278 0.000 0.917 168 Q CA -0.740 55.228 55.803 0.276 0.000 0.919 168 Q CB 1.003 29.802 28.738 0.101 0.000 1.237 168 Q HN 0.574 nan 8.270 nan 0.000 0.434 169 W N 5.331 126.606 121.300 -0.042 0.000 2.287 169 W HA 0.234 4.894 4.660 0.001 0.000 0.313 169 W C -1.200 175.152 176.519 -0.277 0.000 1.267 169 W CA -0.284 56.737 57.345 -0.539 0.000 1.201 169 W CB 1.176 30.229 29.460 -0.680 0.000 1.196 169 W HN 0.665 nan 8.180 nan 0.000 0.536 170 D N 8.606 128.340 120.400 -1.110 0.000 2.421 170 D HA 0.213 4.853 4.640 -0.000 0.000 0.254 170 D C -1.575 173.947 176.300 -1.298 0.000 1.238 170 D CA -2.306 51.148 54.000 -0.909 0.000 0.919 170 D CB 1.936 42.452 40.800 -0.473 0.000 1.152 170 D HN 0.114 nan 8.370 nan 0.000 0.552 171 P HA -0.056 nan 4.420 nan 0.000 0.229 171 P C 1.050 178.140 177.300 -0.350 0.000 1.160 171 P CA 0.823 63.496 63.100 -0.713 0.000 0.777 171 P CB 0.084 31.688 31.700 -0.159 0.000 0.814 172 T N -4.957 109.415 114.554 -0.303 0.000 3.081 172 T HA 0.032 4.382 4.350 -0.000 0.000 0.250 172 T C 0.628 175.224 174.700 -0.173 0.000 1.100 172 T CA -0.159 61.834 62.100 -0.179 0.000 1.038 172 T CB -0.695 68.093 68.868 -0.132 0.000 0.962 172 T HN -0.127 nan 8.240 nan 0.000 0.516 173 D N 1.842 122.097 120.400 -0.242 0.000 2.344 173 D HA 0.453 5.092 4.640 -0.000 0.000 0.253 173 D C 1.051 177.277 176.300 -0.124 0.000 1.255 173 D CA 1.286 55.179 54.000 -0.178 0.000 0.894 173 D CB 0.076 40.751 40.800 -0.209 0.000 1.067 173 D HN 0.613 nan 8.370 nan 0.000 0.492 174 G N 3.322 112.080 108.800 -0.070 0.000 2.642 174 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.231 174 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.231 174 G C 1.019 175.906 174.900 -0.022 0.000 1.338 174 G CA 0.212 45.295 45.100 -0.029 0.000 0.883 174 G HN 0.642 nan 8.290 nan 0.000 0.570 175 S N -1.350 114.353 115.700 0.006 0.000 2.395 175 S HA 0.206 4.675 4.470 -0.000 0.000 0.225 175 S C 1.861 176.480 174.600 0.032 0.000 1.027 175 S CA 1.809 60.019 58.200 0.017 0.000 0.965 175 S CB 0.182 63.399 63.200 0.028 0.000 0.812 175 S HN 1.157 nan 8.310 nan 0.000 0.482 176 S N 0.513 116.246 115.700 0.056 0.000 2.650 176 S HA 0.596 5.066 4.470 -0.000 0.000 0.240 176 S C 0.577 175.269 174.600 0.153 0.000 1.007 176 S CA 0.096 58.364 58.200 0.114 0.000 0.984 176 S CB 0.351 63.639 63.200 0.146 0.000 0.910 176 S HN 0.994 nan 8.310 nan 0.000 0.509 177 G N 2.039 110.831 108.800 -0.014 0.000 2.781 177 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.683 177 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.683 177 G C -1.182 173.603 174.900 -0.192 0.000 1.390 177 G CA -0.810 44.108 45.100 -0.303 0.000 0.850 177 G HN 0.323 nan 8.290 nan 0.000 0.557 178 N N -1.238 117.185 118.700 -0.461 0.000 2.710 178 N HA 0.457 5.197 4.740 -0.000 0.000 0.257 178 N C -1.401 174.045 175.510 -0.107 0.000 1.327 178 N CA -0.615 52.400 53.050 -0.059 0.000 0.861 178 N CB 1.372 39.853 38.487 -0.010 0.000 1.532 178 N HN 0.557 nan 8.380 nan 0.000 0.499 179 W N 0.904 122.344 121.300 0.235 0.000 2.351 179 W HA 0.451 5.111 4.660 -0.001 0.000 0.311 179 W C 0.294 176.820 176.519 0.013 0.000 1.168 179 W CA -0.319 57.158 57.345 0.219 0.000 1.200 179 W CB 0.679 30.277 29.460 0.230 0.000 1.221 179 W HN 0.135 nan 8.180 nan 0.000 0.519 180 N N 1.951 120.755 118.700 0.172 0.000 2.269 180 N HA 0.476 5.216 4.740 -0.000 0.000 0.304 180 N C -0.960 174.533 175.510 -0.029 0.000 1.072 180 N CA -0.530 52.537 53.050 0.028 0.000 0.802 180 N CB 2.215 40.682 38.487 -0.032 0.000 1.348 180 N HN 0.200 nan 8.380 nan 0.000 0.484 181 S N 0.544 116.184 115.700 -0.100 0.000 2.677 181 S HA 0.355 4.825 4.470 -0.000 0.000 0.304 181 S C 0.764 175.223 174.600 -0.235 0.000 1.108 181 S CA -0.488 57.596 58.200 -0.193 0.000 0.944 181 S CB 2.128 65.183 63.200 -0.242 0.000 1.127 181 S HN 0.413 nan 8.310 nan 0.000 0.511 182 Q N -0.269 119.258 119.800 -0.454 0.000 2.392 182 Q HA 0.177 4.517 4.340 -0.000 0.000 0.219 182 Q C -0.878 174.847 176.000 -0.457 0.000 0.895 182 Q CA 0.756 56.244 55.803 -0.526 0.000 0.929 182 Q CB 0.237 28.526 28.738 -0.748 0.000 1.077 182 Q HN 0.629 nan 8.270 nan 0.000 0.532 183 Y N 0.831 121.146 120.300 0.024 0.000 2.360 183 Y HA 0.352 4.902 4.550 -0.000 0.000 0.337 183 Y C 0.286 176.227 175.900 0.068 0.000 1.039 183 Y CA -1.368 56.761 58.100 0.048 0.000 1.109 183 Y CB 0.961 39.455 38.460 0.056 0.000 1.201 183 Y HN -0.169 nan 8.280 nan 0.000 0.458 184 D N 0.605 121.130 120.400 0.209 0.000 2.442 184 D HA 0.226 4.865 4.640 -0.000 0.000 0.254 184 D C 0.175 176.527 176.300 0.086 0.000 1.069 184 D CA -0.498 53.571 54.000 0.114 0.000 1.017 184 D CB 1.048 41.876 40.800 0.046 0.000 1.172 184 D HN 0.571 nan 8.370 nan 0.000 0.561 185 N N -0.596 118.099 118.700 -0.009 0.000 2.173 185 N HA 0.076 4.816 4.740 -0.000 0.000 0.184 185 N C 0.026 175.422 175.510 -0.191 0.000 1.025 185 N CA 0.774 53.782 53.050 -0.070 0.000 0.852 185 N CB 0.337 38.812 38.487 -0.020 0.000 0.998 185 N HN 0.294 nan 8.380 nan 0.000 0.427 186 I N 0.158 120.619 120.570 -0.181 0.000 2.499 186 I HA 0.226 4.396 4.170 -0.000 0.000 0.288 186 I C -1.060 175.045 176.117 -0.020 0.000 1.048 186 I CA -0.519 60.717 61.300 -0.107 0.000 1.062 186 I CB 2.359 40.255 38.000 -0.174 0.000 1.238 186 I HN -0.124 nan 8.210 nan 0.000 0.426 187 T N 6.860 121.442 114.554 0.047 0.000 2.791 187 T HA 0.549 4.898 4.350 -0.000 0.000 0.288 187 T C -0.091 174.639 174.700 0.050 0.000 0.999 187 T CA -0.289 61.841 62.100 0.051 0.000 0.952 187 T CB 0.858 69.767 68.868 0.069 0.000 0.938 187 T HN 0.269 nan 8.240 nan 0.000 0.444 188 I N 4.180 124.772 120.570 0.036 0.000 2.287 188 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 188 I C 0.348 176.470 176.117 0.008 0.000 1.069 188 I CA -0.583 60.729 61.300 0.021 0.000 1.237 188 I CB 0.394 38.392 38.000 -0.003 0.000 1.418 188 I HN 0.418 nan 8.210 nan 0.000 0.481 189 N N 5.492 124.199 118.700 0.012 0.000 2.936 189 N HA 0.297 5.037 4.740 -0.000 0.000 0.243 189 N C 0.629 176.132 175.510 -0.011 0.000 1.149 189 N CA 0.218 53.269 53.050 0.002 0.000 0.914 189 N CB 0.849 39.344 38.487 0.014 0.000 1.179 189 N HN 0.817 nan 8.380 nan 0.000 0.502 190 G N 1.244 110.025 108.800 -0.033 0.000 2.179 190 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.260 190 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.260 190 G C 0.517 175.396 174.900 -0.035 0.000 0.977 190 G CA -0.034 45.040 45.100 -0.044 0.000 0.641 190 G HN 0.822 nan 8.290 nan 0.000 0.533 191 G N -0.011 108.776 108.800 -0.021 0.000 2.483 191 G HA2 0.652 4.612 3.960 -0.000 0.000 0.248 191 G HA3 0.652 4.612 3.960 -0.000 0.000 0.248 191 G C 0.298 175.189 174.900 -0.014 0.000 1.248 191 G CA 1.052 46.154 45.100 0.004 0.000 0.838 191 G HN 1.411 nan 8.290 nan 0.000 0.566 192 T N -2.051 112.522 114.554 0.031 0.000 2.906 192 T HA 0.499 4.849 4.350 -0.000 0.000 0.295 192 T C -0.353 174.426 174.700 0.132 0.000 1.061 192 T CA -0.788 61.322 62.100 0.015 0.000 1.000 192 T CB 1.240 70.121 68.868 0.022 0.000 1.103 192 T HN 0.857 nan 8.240 nan 0.000 0.486 193 H N -0.539 118.657 119.070 0.210 0.000 2.740 193 H HA -0.090 4.466 4.556 -0.000 0.000 0.327 193 H C -0.778 174.656 175.328 0.177 0.000 1.077 193 H CA 0.490 56.657 56.048 0.198 0.000 1.088 193 H CB -1.584 28.270 29.762 0.152 0.000 1.619 193 H HN 0.614 nan 8.280 nan 0.000 0.386 194 I N 0.763 121.492 120.570 0.266 0.000 2.608 194 I HA 0.305 4.474 4.170 -0.000 0.000 0.295 194 I C -0.571 175.761 176.117 0.359 0.000 1.049 194 I CA -0.698 60.758 61.300 0.261 0.000 1.063 194 I CB 1.569 39.674 38.000 0.175 0.000 1.248 194 I HN 0.267 nan 8.210 nan 0.000 0.424 195 W N 8.038 129.425 121.300 0.146 0.000 2.554 195 W HA 0.632 5.292 4.660 -0.000 0.000 0.324 195 W C -1.674 174.933 176.519 0.146 0.000 1.018 195 W CA -1.297 56.139 57.345 0.152 0.000 1.243 195 W CB 1.032 30.585 29.460 0.156 0.000 1.345 195 W HN 0.188 nan 8.180 nan 0.000 0.441 196 I N 6.071 126.764 120.570 0.204 0.000 2.328 196 I HA 0.228 4.398 4.170 -0.000 0.000 0.287 196 I C -0.556 175.502 176.117 -0.099 0.000 1.012 196 I CA -0.275 61.049 61.300 0.041 0.000 1.195 196 I CB 1.305 39.392 38.000 0.145 0.000 1.350 196 I HN 0.328 nan 8.210 nan 0.000 0.464 197 D N 3.633 123.842 120.400 -0.318 0.000 2.819 197 D HA 0.389 5.028 4.640 -0.000 0.000 0.232 197 D C -0.421 175.820 176.300 -0.098 0.000 1.160 197 D CA -0.398 53.428 54.000 -0.289 0.000 0.858 197 D CB 0.885 41.217 40.800 -0.780 0.000 1.610 197 D HN 0.535 nan 8.370 nan 0.000 0.481 198 H N 0.408 119.448 119.070 -0.050 0.000 2.692 198 H HA -0.189 4.366 4.556 -0.000 0.000 0.316 198 H C -0.775 174.499 175.328 -0.090 0.000 1.176 198 H CA 0.773 56.794 56.048 -0.045 0.000 1.142 198 H CB -1.361 28.347 29.762 -0.089 0.000 1.475 198 H HN 0.286 nan 8.280 nan 0.000 0.423 199 C N -0.330 118.938 119.300 -0.053 0.000 2.486 199 C HA 0.666 5.126 4.460 -0.000 0.000 0.348 199 C C 0.829 175.611 174.990 -0.346 0.000 1.203 199 C CA -0.414 58.478 59.018 -0.211 0.000 1.911 199 C CB 2.071 29.648 27.740 -0.271 0.000 2.340 199 C HN 0.562 nan 8.230 nan 0.000 0.511 200 T N 1.590 115.841 114.554 -0.504 0.000 2.841 200 T HA 0.653 5.003 4.350 -0.000 0.000 0.283 200 T C -1.204 173.039 174.700 -0.762 0.000 1.000 200 T CA -0.024 61.816 62.100 -0.434 0.000 0.977 200 T CB 0.560 69.317 68.868 -0.184 0.000 0.979 200 T HN 0.382 nan 8.240 nan 0.000 0.446 201 F N 3.711 123.457 119.950 -0.341 0.000 2.507 201 F HA 0.583 5.110 4.527 -0.000 0.000 0.328 201 F C 0.399 175.912 175.800 -0.479 0.000 1.136 201 F CA -0.894 56.901 58.000 -0.342 0.000 0.930 201 F CB 1.545 40.314 39.000 -0.385 0.000 1.166 201 F HN 0.653 nan 8.300 nan 0.000 0.436 202 N N -0.813 117.708 118.700 -0.298 0.000 3.039 202 N HA 0.339 5.078 4.740 -0.000 0.000 0.257 202 N C -1.137 174.229 175.510 -0.241 0.000 1.497 202 N CA -0.858 51.919 53.050 -0.455 0.000 0.861 202 N CB 0.881 38.849 38.487 -0.866 0.000 1.479 202 N HN 0.147 nan 8.380 nan 0.000 0.547 203 D N -0.866 119.412 120.400 -0.204 0.000 2.358 203 D HA 0.265 4.905 4.640 -0.000 0.000 0.224 203 D C 1.180 177.480 176.300 -0.000 0.000 1.123 203 D CA 0.871 54.789 54.000 -0.135 0.000 0.833 203 D CB -0.375 40.323 40.800 -0.169 0.000 0.946 203 D HN 0.847 nan 8.370 nan 0.000 0.505 204 G N 1.079 109.856 108.800 -0.038 0.000 2.634 204 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.309 204 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.309 204 G C 1.011 175.927 174.900 0.027 0.000 1.265 204 G CA 0.470 45.565 45.100 -0.010 0.000 0.998 204 G HN 0.266 nan 8.290 nan 0.000 0.551 205 S N 1.003 116.713 115.700 0.017 0.000 2.634 205 S HA 0.263 4.733 4.470 -0.000 0.000 0.221 205 S C 1.121 175.737 174.600 0.026 0.000 0.952 205 S CA 0.424 58.634 58.200 0.017 0.000 0.930 205 S CB 0.009 63.202 63.200 -0.012 0.000 0.780 205 S HN 0.471 nan 8.310 nan 0.000 0.498 206 R N 2.047 122.591 120.500 0.073 0.000 2.738 206 R HA 0.223 4.562 4.340 -0.000 0.000 0.280 206 R C -2.927 173.543 176.300 0.282 0.000 1.456 206 R CA -1.553 54.622 56.100 0.125 0.000 1.612 206 R CB 0.982 31.303 30.300 0.035 0.000 1.286 206 R HN 0.207 nan 8.270 nan 0.000 0.660 207 P HA 0.016 nan 4.420 nan 0.000 0.271 207 P C -0.186 177.252 177.300 0.230 0.000 1.233 207 P CA -0.116 63.162 63.100 0.297 0.000 0.789 207 P CB 0.967 32.818 31.700 0.251 0.000 0.951 208 D N -0.424 120.083 120.400 0.179 0.000 2.309 208 D HA -0.075 4.565 4.640 -0.000 0.000 0.212 208 D C 1.377 177.628 176.300 -0.082 0.000 0.968 208 D CA 1.338 55.358 54.000 0.033 0.000 0.882 208 D CB -0.383 40.386 40.800 -0.052 0.000 0.918 208 D HN 0.214 nan 8.370 nan 0.000 0.503 209 S N -0.689 114.930 115.700 -0.134 0.000 2.660 209 S HA 0.004 4.474 4.470 -0.000 0.000 0.227 209 S C 1.477 176.056 174.600 -0.036 0.000 0.948 209 S CA 0.165 58.306 58.200 -0.099 0.000 0.948 209 S CB -0.012 63.112 63.200 -0.126 0.000 0.779 209 S HN 0.401 nan 8.310 nan 0.000 0.487 210 T N -1.853 112.705 114.554 0.006 0.000 3.069 210 T HA 0.258 4.608 4.350 -0.000 0.000 0.252 210 T C 0.453 175.174 174.700 0.035 0.000 1.053 210 T CA -0.314 61.800 62.100 0.024 0.000 0.964 210 T CB 0.177 69.071 68.868 0.043 0.000 1.005 210 T HN 0.076 nan 8.240 nan 0.000 0.532 211 S N 3.781 119.499 115.700 0.030 0.000 2.489 211 S HA 0.599 5.069 4.470 -0.000 0.000 0.291 211 S C -2.345 172.208 174.600 -0.078 0.000 1.151 211 S CA -1.104 57.119 58.200 0.039 0.000 1.082 211 S CB 1.429 64.670 63.200 0.068 0.000 1.019 211 S HN 0.340 nan 8.310 nan 0.000 0.492 212 P HA 0.302 nan 4.420 nan 0.000 0.275 212 P C -0.991 176.026 177.300 -0.471 0.000 1.266 212 P CA -0.590 62.298 63.100 -0.353 0.000 0.793 212 P CB 0.573 31.962 31.700 -0.517 0.000 1.074 213 K N 0.155 120.277 120.400 -0.463 0.000 2.206 213 K HA 0.452 4.772 4.320 -0.000 0.000 0.264 213 K C -1.017 175.303 176.600 -0.468 0.000 0.967 213 K CA -0.392 55.692 56.287 -0.339 0.000 0.844 213 K CB 0.963 33.397 32.500 -0.109 0.000 1.099 213 K HN 0.371 nan 8.250 nan 0.000 0.441 214 Y N 1.616 121.833 120.300 -0.138 0.000 2.350 214 Y HA 0.182 4.732 4.550 -0.000 0.000 0.338 214 Y C -0.508 175.356 175.900 -0.059 0.000 0.961 214 Y CA -1.168 56.778 58.100 -0.257 0.000 1.100 214 Y CB 0.870 38.971 38.460 -0.599 0.000 1.179 214 Y HN 0.530 nan 8.280 nan 0.000 0.454 215 Y N 0.519 120.923 120.300 0.174 0.000 4.272 215 Y HA -0.194 4.356 4.550 -0.001 0.000 0.232 215 Y C 1.484 177.447 175.900 0.105 0.000 1.149 215 Y CA 0.788 58.903 58.100 0.026 0.000 1.961 215 Y CB -1.811 36.468 38.460 -0.300 0.000 1.611 215 Y HN 0.975 nan 8.280 nan 0.000 0.682 216 G N -1.069 107.872 108.800 0.235 0.000 2.184 216 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.264 216 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.264 216 G C 0.224 175.252 174.900 0.213 0.000 0.975 216 G CA 0.275 45.485 45.100 0.184 0.000 0.642 216 G HN 0.370 nan 8.290 nan 0.000 0.536 217 R N 0.083 120.769 120.500 0.310 0.000 2.637 217 R HA 0.530 4.870 4.340 -0.000 0.000 0.291 217 R C 0.328 176.813 176.300 0.308 0.000 0.963 217 R CA -0.805 55.519 56.100 0.373 0.000 0.901 217 R CB 1.322 31.988 30.300 0.610 0.000 1.160 217 R HN 0.505 nan 8.270 nan 0.000 0.457 218 K N 0.543 121.065 120.400 0.203 0.000 2.448 218 K HA -0.013 4.307 4.320 -0.000 0.000 0.278 218 K C -0.487 176.147 176.600 0.056 0.000 1.009 218 K CA 0.136 56.463 56.287 0.066 0.000 0.995 218 K CB 0.218 32.735 32.500 0.028 0.000 0.917 218 K HN 0.473 nan 8.250 nan 0.000 0.481 219 Y N 3.219 123.296 120.300 -0.371 0.000 2.594 219 Y HA 0.133 4.683 4.550 0.000 0.000 0.344 219 Y C -0.462 175.120 175.900 -0.530 0.000 1.185 219 Y CA -0.514 57.172 58.100 -0.690 0.000 1.565 219 Y CB -0.187 37.798 38.460 -0.792 0.000 1.415 219 Y HN 0.754 nan 8.280 nan 0.000 0.488 220 Q N 3.873 123.432 119.800 -0.401 0.000 2.296 220 Q HA 0.102 4.442 4.340 -0.000 0.000 0.263 220 Q C -0.015 175.609 176.000 -0.626 0.000 1.026 220 Q CA 0.454 56.049 55.803 -0.345 0.000 0.912 220 Q CB 0.188 28.882 28.738 -0.073 0.000 1.198 220 Q HN 0.661 nan 8.270 nan 0.000 0.407 221 H N 3.036 121.713 119.070 -0.655 0.000 2.551 221 H HA 0.149 4.705 4.556 -0.000 0.000 0.271 221 H C -0.305 174.557 175.328 -0.777 0.000 0.984 221 H CA 0.208 55.687 56.048 -0.949 0.000 1.164 221 H CB 0.496 29.271 29.762 -1.644 0.000 1.437 221 H HN 0.637 nan 8.280 nan 0.000 0.550 222 H N -0.805 118.187 119.070 -0.129 0.000 2.710 222 H HA 0.242 4.798 4.556 -0.000 0.000 0.361 222 H C -0.106 175.211 175.328 -0.018 0.000 1.175 222 H CA -0.609 55.430 56.048 -0.015 0.000 1.206 222 H CB 2.347 32.137 29.762 0.047 0.000 1.750 222 H HN 0.049 nan 8.280 nan 0.000 0.553 223 D N -0.429 120.100 120.400 0.215 0.000 3.625 223 D HA 0.308 4.947 4.640 -0.000 0.000 0.181 223 D C 0.606 177.045 176.300 0.231 0.000 1.109 223 D CA 0.010 54.087 54.000 0.129 0.000 1.379 223 D CB 0.268 41.093 40.800 0.042 0.000 1.015 223 D HN 0.580 nan 8.370 nan 0.000 0.231 224 G N -0.977 107.913 108.800 0.150 0.000 2.535 224 G HA2 0.348 4.308 3.960 -0.000 0.000 0.303 224 G HA3 0.348 4.308 3.960 -0.000 0.000 0.303 224 G C -0.013 174.869 174.900 -0.031 0.000 1.237 224 G CA -0.015 45.150 45.100 0.109 0.000 0.986 224 G HN 0.376 nan 8.290 nan 0.000 0.494 225 Q N -1.370 118.318 119.800 -0.186 0.000 2.389 225 Q HA 0.123 4.463 4.340 -0.000 0.000 0.198 225 Q C 0.529 176.318 176.000 -0.352 0.000 0.967 225 Q CA 1.005 56.599 55.803 -0.347 0.000 0.863 225 Q CB 0.448 28.950 28.738 -0.393 0.000 0.987 225 Q HN 0.607 nan 8.270 nan 0.000 0.557 226 T N 0.351 114.752 114.554 -0.256 0.000 3.009 226 T HA 0.446 4.796 4.350 -0.000 0.000 0.346 226 T C -1.196 173.537 174.700 0.055 0.000 1.092 226 T CA -0.861 61.148 62.100 -0.152 0.000 1.080 226 T CB 1.147 69.927 68.868 -0.148 0.000 1.037 226 T HN -0.172 nan 8.240 nan 0.000 0.487 227 D N 2.051 122.487 120.400 0.060 0.000 2.228 227 D HA 0.748 5.388 4.640 -0.000 0.000 0.247 227 D C -0.617 175.776 176.300 0.155 0.000 0.995 227 D CA -0.384 53.698 54.000 0.137 0.000 0.903 227 D CB 1.981 42.816 40.800 0.060 0.000 1.205 227 D HN 0.852 nan 8.370 nan 0.000 0.459 228 A N 0.829 123.783 122.820 0.223 0.000 2.398 228 A HA 0.712 5.032 4.320 -0.000 0.000 0.301 228 A C -0.655 176.969 177.584 0.066 0.000 1.041 228 A CA -0.467 51.617 52.037 0.078 0.000 0.711 228 A CB 1.227 20.175 19.000 -0.087 0.000 1.240 228 A HN 0.367 nan 8.150 nan 0.000 0.420 229 S N 0.668 116.375 115.700 0.012 0.000 2.720 229 S HA 0.603 5.073 4.470 -0.000 0.000 0.287 229 S C -0.498 174.081 174.600 -0.034 0.000 1.168 229 S CA -0.865 57.337 58.200 0.002 0.000 0.832 229 S CB 1.042 64.248 63.200 0.010 0.000 1.166 229 S HN 0.829 nan 8.310 nan 0.000 0.493 230 N N 1.130 119.806 118.700 -0.040 0.000 2.688 230 N HA -0.180 4.559 4.740 -0.000 0.000 0.258 230 N C 0.657 176.114 175.510 -0.088 0.000 1.016 230 N CA 1.290 54.304 53.050 -0.060 0.000 0.747 230 N CB -1.512 36.951 38.487 -0.041 0.000 0.895 230 N HN 1.388 nan 8.380 nan 0.000 0.543 231 G N -2.089 106.636 108.800 -0.123 0.000 2.143 231 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.248 231 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.248 231 G C 0.404 175.192 174.900 -0.187 0.000 0.991 231 G CA 0.844 45.844 45.100 -0.166 0.000 0.689 231 G HN 1.259 nan 8.290 nan 0.000 0.522 232 A N -0.507 122.214 122.820 -0.165 0.000 2.531 232 A HA 0.534 4.854 4.320 -0.000 0.000 0.236 232 A C 0.499 177.903 177.584 -0.299 0.000 1.062 232 A CA 1.233 53.161 52.037 -0.183 0.000 0.760 232 A CB 0.315 19.227 19.000 -0.146 0.000 0.995 232 A HN 0.994 nan 8.150 nan 0.000 0.501 233 N N -0.721 117.774 118.700 -0.341 0.000 2.598 233 N HA 0.432 5.172 4.740 -0.000 0.000 0.263 233 N C -1.794 173.423 175.510 -0.487 0.000 1.254 233 N CA -0.367 52.321 53.050 -0.604 0.000 0.863 233 N CB 0.560 38.530 38.487 -0.863 0.000 1.586 233 N HN 0.592 nan 8.380 nan 0.000 0.491 234 Y N -0.394 119.720 120.300 -0.309 0.000 2.978 234 Y HA -0.156 4.394 4.550 -0.000 0.000 0.142 234 Y C -0.665 175.222 175.900 -0.022 0.000 1.837 234 Y CA 0.230 58.238 58.100 -0.154 0.000 0.947 234 Y CB -1.837 36.446 38.460 -0.295 0.000 1.519 234 Y HN 0.366 nan 8.280 nan 0.000 0.359 235 I N 0.628 121.285 120.570 0.145 0.000 2.647 235 I HA 0.577 4.747 4.170 -0.000 0.000 0.295 235 I C 0.003 176.267 176.117 0.244 0.000 1.078 235 I CA -0.731 60.661 61.300 0.154 0.000 1.048 235 I CB 2.486 40.489 38.000 0.006 0.000 1.239 235 I HN 0.181 nan 8.210 nan 0.000 0.421 236 T N 6.613 121.347 114.554 0.300 0.000 2.809 236 T HA 0.575 4.925 4.350 -0.000 0.000 0.284 236 T C -0.452 174.495 174.700 0.411 0.000 0.992 236 T CA -0.510 61.801 62.100 0.352 0.000 0.957 236 T CB 1.035 70.085 68.868 0.303 0.000 0.942 236 T HN 0.363 nan 8.240 nan 0.000 0.439 237 M N 3.617 123.398 119.600 0.302 0.000 2.078 237 M HA 0.457 4.937 4.480 -0.000 0.000 0.320 237 M C -0.239 176.131 176.300 0.118 0.000 0.969 237 M CA -0.661 54.788 55.300 0.249 0.000 0.929 237 M CB 1.443 34.189 32.600 0.243 0.000 1.504 237 M HN 0.668 nan 8.290 nan 0.000 0.419 238 S N 1.201 116.948 115.700 0.079 0.000 2.570 238 S HA 0.644 5.114 4.470 -0.000 0.000 0.286 238 S C -0.399 174.134 174.600 -0.113 0.000 1.099 238 S CA -0.706 57.368 58.200 -0.209 0.000 0.913 238 S CB 1.045 64.100 63.200 -0.241 0.000 1.085 238 S HN 0.785 nan 8.310 nan 0.000 0.480 239 Y N -0.263 119.888 120.300 -0.248 0.000 3.305 239 Y HA -0.217 4.332 4.550 -0.000 0.000 0.212 239 Y C 0.142 175.852 175.900 -0.317 0.000 1.248 239 Y CA 0.508 58.390 58.100 -0.363 0.000 1.359 239 Y CB -2.161 35.772 38.460 -0.879 0.000 1.407 239 Y HN 0.707 nan 8.280 nan 0.000 0.572 240 N N -0.033 118.623 118.700 -0.073 0.000 2.472 240 N HA 0.324 5.064 4.740 -0.000 0.000 0.289 240 N C -1.009 174.484 175.510 -0.029 0.000 1.156 240 N CA -0.590 52.418 53.050 -0.071 0.000 0.940 240 N CB 1.248 39.671 38.487 -0.108 0.000 1.200 240 N HN 0.122 nan 8.380 nan 0.000 0.511 241 Y N 2.083 122.267 120.300 -0.194 0.000 2.388 241 Y HA 0.346 4.896 4.550 -0.000 0.000 0.328 241 Y C -1.481 174.375 175.900 -0.074 0.000 0.963 241 Y CA -1.418 56.631 58.100 -0.085 0.000 1.240 241 Y CB -0.218 38.245 38.460 0.005 0.000 1.118 241 Y HN 0.370 nan 8.280 nan 0.000 0.484 242 Y N 6.110 126.478 120.300 0.114 0.000 2.328 242 Y HA 0.490 5.040 4.550 -0.000 0.000 0.337 242 Y C -0.071 175.832 175.900 0.005 0.000 1.008 242 Y CA -0.306 57.780 58.100 -0.023 0.000 1.129 242 Y CB 0.813 39.200 38.460 -0.122 0.000 1.185 242 Y HN 0.703 nan 8.280 nan 0.000 0.476 243 H N -0.907 118.099 119.070 -0.107 0.000 3.037 243 H HA 0.433 4.989 4.556 -0.000 0.000 0.355 243 H C -1.314 173.900 175.328 -0.191 0.000 1.263 243 H CA -1.519 54.447 56.048 -0.136 0.000 1.129 243 H CB 1.414 30.997 29.762 -0.299 0.000 1.861 243 H HN 0.496 nan 8.280 nan 0.000 0.546 244 D N 1.006 121.320 120.400 -0.144 0.000 2.927 244 D HA -0.244 4.396 4.640 -0.000 0.000 0.236 244 D C -0.884 174.809 176.300 -1.011 0.000 1.163 244 D CA 1.877 55.548 54.000 -0.549 0.000 0.801 244 D CB -1.199 39.557 40.800 -0.074 0.000 0.975 244 D HN 0.887 nan 8.370 nan 0.000 0.413 245 H N -1.234 117.069 119.070 -1.278 0.000 3.068 245 H HA 0.182 4.738 4.556 -0.000 0.000 0.342 245 H C 0.060 175.176 175.328 -0.354 0.000 1.284 245 H CA -0.591 55.008 56.048 -0.748 0.000 1.181 245 H CB 1.668 31.212 29.762 -0.363 0.000 1.898 245 H HN -0.140 nan 8.280 nan 0.000 0.540 246 D N 1.700 121.827 120.400 -0.456 0.000 2.191 246 D HA 0.006 4.645 4.640 -0.000 0.000 0.221 246 D C -0.391 175.852 176.300 -0.096 0.000 1.006 246 D CA 0.827 54.748 54.000 -0.131 0.000 0.910 246 D CB 0.376 41.128 40.800 -0.080 0.000 1.031 246 D HN 0.521 nan 8.370 nan 0.000 0.447 247 K N 0.790 121.134 120.400 -0.094 0.000 2.263 247 K HA 0.212 4.532 4.320 -0.000 0.000 0.282 247 K C 0.539 177.228 176.600 0.148 0.000 1.089 247 K CA -0.236 56.055 56.287 0.006 0.000 0.907 247 K CB 1.962 34.459 32.500 -0.004 0.000 1.148 247 K HN -0.072 nan 8.250 nan 0.000 0.470 248 S N 2.099 117.811 115.700 0.019 0.000 2.317 248 S HA 0.024 4.494 4.470 -0.000 0.000 0.212 248 S C 0.295 174.797 174.600 -0.162 0.000 1.030 248 S CA 0.591 58.753 58.200 -0.064 0.000 0.970 248 S CB 0.278 63.388 63.200 -0.149 0.000 0.928 248 S HN 0.520 nan 8.310 nan 0.000 0.451 249 S N 1.370 116.925 115.700 -0.242 0.000 2.733 249 S HA 0.568 5.037 4.470 -0.000 0.000 0.294 249 S C -1.268 173.063 174.600 -0.447 0.000 1.149 249 S CA -0.631 57.368 58.200 -0.335 0.000 1.034 249 S CB 1.461 64.371 63.200 -0.483 0.000 1.015 249 S HN 0.342 nan 8.310 nan 0.000 0.486 250 I N 3.951 124.369 120.570 -0.255 0.000 2.355 250 I HA 0.414 4.584 4.170 -0.000 0.000 0.288 250 I C -1.266 174.871 176.117 0.033 0.000 0.999 250 I CA -0.671 60.523 61.300 -0.176 0.000 1.163 250 I CB 0.647 38.603 38.000 -0.072 0.000 1.316 250 I HN 0.464 nan 8.210 nan 0.000 0.454 251 F N 3.771 123.710 119.950 -0.018 0.000 2.308 251 F HA 0.654 5.181 4.527 -0.000 0.000 0.370 251 F C 0.892 176.686 175.800 -0.009 0.000 1.100 251 F CA -1.573 56.417 58.000 -0.016 0.000 1.108 251 F CB 1.046 40.041 39.000 -0.008 0.000 1.293 251 F HN 0.664 nan 8.300 nan 0.000 0.478 252 G N 1.510 110.413 108.800 0.172 0.000 3.383 252 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.685 252 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.685 252 G C 0.444 175.388 174.900 0.072 0.000 1.104 252 G CA -0.245 44.931 45.100 0.127 0.000 0.957 252 G HN 0.876 nan 8.290 nan 0.000 0.461 253 S N -0.250 115.480 115.700 0.051 0.000 2.496 253 S HA 0.577 5.047 4.470 -0.000 0.000 0.224 253 S C 1.052 175.655 174.600 0.005 0.000 0.996 253 S CA 1.148 59.357 58.200 0.014 0.000 0.927 253 S CB 0.556 63.760 63.200 0.007 0.000 0.774 253 S HN 2.176 nan 8.310 nan 0.000 0.524 254 S N -0.520 115.206 115.700 0.044 0.000 2.535 254 S HA 0.397 4.867 4.470 -0.000 0.000 0.272 254 S C -0.830 173.836 174.600 0.111 0.000 1.149 254 S CA -0.576 57.646 58.200 0.038 0.000 0.888 254 S CB 1.285 64.499 63.200 0.023 0.000 1.110 254 S HN 0.006 nan 8.310 nan 0.000 0.463 255 D N 2.061 122.492 120.400 0.053 0.000 2.219 255 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 255 D C 1.860 178.265 176.300 0.174 0.000 0.970 255 D CA 1.732 55.775 54.000 0.072 0.000 0.851 255 D CB -0.058 40.734 40.800 -0.013 0.000 0.943 255 D HN 0.575 nan 8.370 nan 0.000 0.488 256 S N -0.617 115.148 115.700 0.109 0.000 2.558 256 S HA 0.002 4.472 4.470 -0.000 0.000 0.217 256 S C 1.159 175.792 174.600 0.056 0.000 0.975 256 S CA -0.202 58.045 58.200 0.080 0.000 0.912 256 S CB 0.011 63.229 63.200 0.031 0.000 0.776 256 S HN -0.017 nan 8.310 nan 0.000 0.526 257 K N 3.380 123.822 120.400 0.070 0.000 2.187 257 K HA 0.152 4.472 4.320 -0.000 0.000 0.242 257 K C 1.092 177.528 176.600 -0.273 0.000 1.179 257 K CA 0.162 56.418 56.287 -0.052 0.000 1.097 257 K CB -0.473 32.006 32.500 -0.036 0.000 1.634 257 K HN 0.387 nan 8.250 nan 0.000 0.335 258 T N -2.177 112.219 114.554 -0.263 0.000 3.007 258 T HA -0.149 4.201 4.350 -0.000 0.000 0.270 258 T C 1.616 176.015 174.700 -0.500 0.000 1.107 258 T CA 1.237 63.069 62.100 -0.447 0.000 1.118 258 T CB -0.196 68.580 68.868 -0.154 0.000 0.889 258 T HN 0.392 nan 8.240 nan 0.000 0.506 259 S N 1.137 116.624 115.700 -0.355 0.000 2.555 259 S HA -0.034 4.436 4.470 -0.000 0.000 0.230 259 S C 1.302 175.692 174.600 -0.350 0.000 0.978 259 S CA 0.388 58.416 58.200 -0.288 0.000 0.934 259 S CB -0.290 62.798 63.200 -0.186 0.000 0.766 259 S HN 0.344 nan 8.310 nan 0.000 0.533 260 D N 1.818 121.918 120.400 -0.500 0.000 2.317 260 D HA 0.074 4.714 4.640 -0.000 0.000 0.211 260 D C 0.163 176.172 176.300 -0.484 0.000 0.966 260 D CA 0.497 54.229 54.000 -0.446 0.000 0.876 260 D CB -0.450 40.147 40.800 -0.339 0.000 0.927 260 D HN 0.421 nan 8.370 nan 0.000 0.519 261 D N -0.635 119.361 120.400 -0.673 0.000 2.450 261 D HA 0.240 4.880 4.640 -0.000 0.000 0.247 261 D C 1.442 177.591 176.300 -0.251 0.000 1.162 261 D CA 1.104 54.887 54.000 -0.362 0.000 0.879 261 D CB 0.486 41.114 40.800 -0.286 0.000 1.163 261 D HN 0.236 nan 8.370 nan 0.000 0.472 262 G N 3.086 111.755 108.800 -0.218 0.000 2.195 262 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.246 262 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.246 262 G C 0.566 175.242 174.900 -0.374 0.000 0.984 262 G CA 0.568 45.510 45.100 -0.263 0.000 0.633 262 G HN 0.588 nan 8.290 nan 0.000 0.525 263 K N -1.033 119.142 120.400 -0.374 0.000 2.270 263 K HA 0.826 5.146 4.320 -0.000 0.000 0.248 263 K C 0.901 177.227 176.600 -0.456 0.000 1.076 263 K CA -0.739 55.270 56.287 -0.464 0.000 0.957 263 K CB 0.719 32.994 32.500 -0.376 0.000 1.400 263 K HN 0.410 nan 8.250 nan 0.000 0.573 264 L N 0.483 121.441 121.223 -0.443 0.000 3.634 264 L HA -0.254 4.086 4.340 -0.000 0.000 0.423 264 L C -0.859 175.714 176.870 -0.495 0.000 1.253 264 L CA 0.446 55.058 54.840 -0.379 0.000 0.885 264 L CB -1.567 40.379 42.059 -0.188 0.000 1.789 264 L HN 0.474 nan 8.230 nan 0.000 0.904 265 K N 1.295 121.238 120.400 -0.761 0.000 2.250 265 K HA 0.590 4.910 4.320 -0.000 0.000 0.285 265 K C -0.059 176.163 176.600 -0.630 0.000 1.097 265 K CA -0.005 55.605 56.287 -1.128 0.000 0.913 265 K CB 0.736 32.026 32.500 -2.017 0.000 1.179 265 K HN 0.224 nan 8.250 nan 0.000 0.462 266 I N 1.475 121.927 120.570 -0.197 0.000 2.608 266 I HA 0.225 4.395 4.170 -0.000 0.000 0.295 266 I C -0.292 176.079 176.117 0.424 0.000 1.049 266 I CA -0.765 60.572 61.300 0.062 0.000 1.063 266 I CB 2.560 40.400 38.000 -0.267 0.000 1.248 266 I HN 0.329 nan 8.210 nan 0.000 0.424 267 T N 6.558 121.376 114.554 0.439 0.000 2.792 267 T HA 0.600 4.950 4.350 -0.000 0.000 0.280 267 T C -0.464 174.433 174.700 0.329 0.000 0.990 267 T CA -0.448 61.931 62.100 0.465 0.000 0.960 267 T CB 0.884 70.048 68.868 0.493 0.000 0.939 267 T HN 0.253 nan 8.240 nan 0.000 0.439 268 L N 5.354 126.738 121.223 0.268 0.000 2.319 268 L HA 0.633 4.973 4.340 -0.000 0.000 0.281 268 L C -0.307 176.565 176.870 0.004 0.000 1.005 268 L CA -0.929 54.022 54.840 0.185 0.000 0.828 268 L CB 0.796 43.017 42.059 0.270 0.000 1.227 268 L HN 0.846 nan 8.230 nan 0.000 0.415 269 H N -0.616 118.329 119.070 -0.209 0.000 2.996 269 H HA 0.447 5.003 4.556 -0.000 0.000 0.368 269 H C -0.391 174.690 175.328 -0.411 0.000 1.185 269 H CA -0.981 54.718 56.048 -0.582 0.000 1.160 269 H CB 0.879 29.872 29.762 -1.282 0.000 1.820 269 H HN 0.604 nan 8.280 nan 0.000 0.547 270 H N -0.444 118.393 119.070 -0.389 0.000 2.820 270 H HA -0.184 4.372 4.556 -0.000 0.000 0.295 270 H C -0.601 174.498 175.328 -0.383 0.000 1.187 270 H CA 1.005 56.762 56.048 -0.485 0.000 1.144 270 H CB -1.347 27.718 29.762 -1.163 0.000 1.354 270 H HN 0.717 nan 8.280 nan 0.000 0.395 271 N N 0.971 119.587 118.700 -0.140 0.000 2.508 271 N HA 0.325 5.065 4.740 -0.000 0.000 0.285 271 N C 0.286 175.727 175.510 -0.115 0.000 1.144 271 N CA -0.595 52.390 53.050 -0.109 0.000 0.978 271 N CB 1.609 40.052 38.487 -0.073 0.000 1.180 271 N HN 0.319 nan 8.380 nan 0.000 0.484 272 R N 1.560 121.985 120.500 -0.125 0.000 2.445 272 R HA 0.316 4.656 4.340 -0.000 0.000 0.308 272 R C -1.438 174.827 176.300 -0.058 0.000 0.961 272 R CA -0.480 55.607 56.100 -0.020 0.000 0.862 272 R CB 0.566 30.842 30.300 -0.041 0.000 1.144 272 R HN 0.505 nan 8.270 nan 0.000 0.447 273 Y N 3.330 123.674 120.300 0.074 0.000 2.338 273 Y HA 0.325 4.875 4.550 -0.000 0.000 0.328 273 Y C -0.233 175.760 175.900 0.155 0.000 0.965 273 Y CA -0.673 57.501 58.100 0.124 0.000 1.208 273 Y CB 1.658 40.093 38.460 -0.042 0.000 1.132 273 Y HN 0.367 nan 8.280 nan 0.000 0.469 274 K N 3.322 123.947 120.400 0.375 0.000 2.376 274 K HA 0.373 4.693 4.320 -0.000 0.000 0.257 274 K C -0.578 176.170 176.600 0.247 0.000 0.939 274 K CA -0.540 55.925 56.287 0.297 0.000 0.809 274 K CB 0.621 33.336 32.500 0.359 0.000 1.121 274 K HN 0.712 nan 8.250 nan 0.000 0.425 275 N N 3.038 121.867 118.700 0.215 0.000 2.727 275 N HA -0.176 4.564 4.740 -0.000 0.000 0.251 275 N C -1.165 174.411 175.510 0.110 0.000 1.040 275 N CA 0.824 53.990 53.050 0.195 0.000 0.712 275 N CB -0.802 37.806 38.487 0.202 0.000 0.912 275 N HN 0.481 nan 8.380 nan 0.000 0.545 276 I N 0.367 121.030 120.570 0.155 0.000 2.378 276 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 276 I C 1.797 177.922 176.117 0.012 0.000 0.992 276 I CA -0.601 60.746 61.300 0.078 0.000 1.154 276 I CB 1.744 39.837 38.000 0.155 0.000 1.315 276 I HN -0.187 nan 8.210 nan 0.000 0.448 277 V N 5.664 125.553 119.914 -0.041 0.000 2.283 277 V HA -0.108 4.012 4.120 -0.000 0.000 0.243 277 V C 0.820 176.656 176.094 -0.430 0.000 1.039 277 V CA 1.448 63.663 62.300 -0.141 0.000 1.016 277 V CB -0.367 31.430 31.823 -0.043 0.000 0.650 277 V HN 0.920 nan 8.190 nan 0.000 0.449 278 Q N -1.800 117.739 119.800 -0.435 0.000 2.685 278 Q HA 0.454 4.794 4.340 -0.000 0.000 0.301 278 Q C -1.199 174.465 176.000 -0.560 0.000 0.924 278 Q CA -1.105 54.225 55.803 -0.787 0.000 0.755 278 Q CB 1.477 29.784 28.738 -0.718 0.000 1.470 278 Q HN 0.157 nan 8.270 nan 0.000 0.434 279 K N -0.625 119.376 120.400 -0.665 0.000 4.361 279 K HA -0.094 4.226 4.320 -0.000 0.000 0.294 279 K C -1.117 175.333 176.600 -0.250 0.000 0.970 279 K CA 0.778 56.920 56.287 -0.241 0.000 0.913 279 K CB -1.781 30.628 32.500 -0.151 0.000 1.583 279 K HN 0.702 nan 8.250 nan 0.000 0.438 280 A N 1.358 124.049 122.820 -0.214 0.000 3.410 280 A HA 0.381 4.701 4.320 -0.000 0.000 0.276 280 A C -2.471 175.072 177.584 -0.068 0.000 0.995 280 A CA -0.794 51.087 52.037 -0.261 0.000 0.934 280 A CB 0.575 19.338 19.000 -0.396 0.000 1.191 280 A HN 0.208 nan 8.150 nan 0.000 0.511 281 P HA 0.473 nan 4.420 nan 0.000 0.288 281 P C -0.922 176.308 177.300 -0.116 0.000 1.300 281 P CA -0.805 62.121 63.100 -0.291 0.000 0.910 281 P CB 1.489 32.792 31.700 -0.663 0.000 1.256 282 R N 0.808 121.197 120.500 -0.186 0.000 2.255 282 R HA 0.526 4.866 4.340 -0.000 0.000 0.326 282 R C -1.358 174.888 176.300 -0.089 0.000 0.986 282 R CA -0.543 55.541 56.100 -0.028 0.000 0.847 282 R CB 0.532 30.813 30.300 -0.032 0.000 1.111 282 R HN 0.269 nan 8.270 nan 0.000 0.452 283 V N 3.708 123.624 119.914 0.003 0.000 2.680 283 V HA 0.520 4.640 4.120 -0.000 0.000 0.309 283 V C -0.250 175.843 176.094 -0.001 0.000 1.052 283 V CA -0.932 61.395 62.300 0.045 0.000 0.908 283 V CB 1.882 33.773 31.823 0.112 0.000 1.001 283 V HN 0.640 nan 8.190 nan 0.000 0.431 284 R N 2.239 122.739 120.500 -0.002 0.000 2.534 284 R HA 0.649 4.989 4.340 -0.000 0.000 0.301 284 R C 0.108 176.397 176.300 -0.018 0.000 0.961 284 R CA -0.771 55.244 56.100 -0.141 0.000 0.871 284 R CB 0.923 31.137 30.300 -0.143 0.000 1.170 284 R HN 0.827 nan 8.270 nan 0.000 0.446 285 F N -0.915 119.025 119.950 -0.016 0.000 2.586 285 F HA -0.292 4.235 4.527 -0.000 0.000 0.638 285 F C 1.393 177.138 175.800 -0.091 0.000 0.493 285 F CA 1.894 59.862 58.000 -0.053 0.000 0.761 285 F CB -1.750 37.204 39.000 -0.078 0.000 1.635 285 F HN 0.801 nan 8.300 nan 0.000 0.259 286 G N 0.529 109.379 108.800 0.084 0.000 2.569 286 G HA2 0.395 4.355 3.960 -0.000 0.000 0.249 286 G HA3 0.395 4.355 3.960 -0.000 0.000 0.249 286 G C -0.236 174.589 174.900 -0.125 0.000 1.216 286 G CA -0.388 44.668 45.100 -0.072 0.000 0.845 286 G HN 0.343 nan 8.290 nan 0.000 0.568 287 Q N 0.189 119.762 119.800 -0.377 0.000 2.490 287 Q HA 0.315 4.654 4.340 -0.000 0.000 0.226 287 Q C -0.629 175.248 176.000 -0.204 0.000 1.132 287 Q CA -0.257 55.161 55.803 -0.641 0.000 0.928 287 Q CB 1.291 29.141 28.738 -1.480 0.000 1.299 287 Q HN 0.218 nan 8.270 nan 0.000 0.528 288 V N 2.540 122.627 119.914 0.289 0.000 2.384 288 V HA 0.167 4.287 4.120 -0.000 0.000 0.287 288 V C -0.283 176.247 176.094 0.727 0.000 1.020 288 V CA -0.723 61.846 62.300 0.449 0.000 0.850 288 V CB 1.222 33.249 31.823 0.339 0.000 0.987 288 V HN 0.689 nan 8.190 nan 0.000 0.436 289 H N 4.233 123.705 119.070 0.669 0.000 2.652 289 H HA 0.568 5.124 4.556 -0.000 0.000 0.298 289 H C -1.193 174.381 175.328 0.411 0.000 1.076 289 H CA -0.622 55.764 56.048 0.562 0.000 1.360 289 H CB 1.439 31.515 29.762 0.524 0.000 1.421 289 H HN 0.478 nan 8.280 nan 0.000 0.464 290 V N 8.029 128.149 119.914 0.343 0.000 2.326 290 V HA 0.171 4.291 4.120 -0.000 0.000 0.281 290 V C -1.025 175.159 176.094 0.150 0.000 1.015 290 V CA -0.599 61.782 62.300 0.135 0.000 0.823 290 V CB 0.105 31.874 31.823 -0.091 0.000 1.009 290 V HN 0.657 nan 8.190 nan 0.000 0.436 291 Y N 1.519 121.779 120.300 -0.066 0.000 2.534 291 Y HA 0.549 5.099 4.550 -0.000 0.000 0.345 291 Y C 0.072 175.925 175.900 -0.078 0.000 1.031 291 Y CA -1.574 56.481 58.100 -0.075 0.000 1.022 291 Y CB 1.194 39.511 38.460 -0.239 0.000 1.292 291 Y HN 0.603 nan 8.280 nan 0.000 0.459 292 N N 1.791 120.523 118.700 0.054 0.000 2.727 292 N HA -0.256 4.484 4.740 -0.000 0.000 0.249 292 N C -1.326 174.076 175.510 -0.179 0.000 1.048 292 N CA 0.623 53.587 53.050 -0.144 0.000 0.714 292 N CB -0.712 37.461 38.487 -0.524 0.000 0.959 292 N HN 0.686 nan 8.380 nan 0.000 0.544 293 N N 0.336 119.075 118.700 0.064 0.000 2.472 293 N HA 0.345 5.085 4.740 -0.000 0.000 0.289 293 N C -1.098 174.537 175.510 0.208 0.000 1.156 293 N CA -0.168 52.941 53.050 0.099 0.000 0.940 293 N CB 1.280 39.868 38.487 0.167 0.000 1.200 293 N HN 0.149 nan 8.380 nan 0.000 0.511 294 Y N 1.421 121.697 120.300 -0.041 0.000 2.350 294 Y HA 0.391 4.940 4.550 -0.000 0.000 0.338 294 Y C -1.577 174.313 175.900 -0.017 0.000 0.961 294 Y CA -0.859 57.267 58.100 0.043 0.000 1.100 294 Y CB 0.557 39.041 38.460 0.039 0.000 1.179 294 Y HN 0.386 nan 8.280 nan 0.000 0.454 295 Y N 4.255 124.330 120.300 -0.376 0.000 2.341 295 Y HA 0.467 5.017 4.550 -0.000 0.000 0.338 295 Y C -0.588 174.964 175.900 -0.580 0.000 0.965 295 Y CA -1.013 56.924 58.100 -0.271 0.000 1.108 295 Y CB 1.618 40.006 38.460 -0.120 0.000 1.180 295 Y HN 0.574 nan 8.280 nan 0.000 0.458 296 E N 1.584 121.644 120.200 -0.233 0.000 2.292 296 E HA 0.879 5.229 4.350 -0.000 0.000 0.272 296 E C -0.658 175.931 176.600 -0.018 0.000 0.881 296 E CA -1.198 55.073 56.400 -0.215 0.000 0.754 296 E CB 2.636 32.221 29.700 -0.192 0.000 1.201 296 E HN 0.763 nan 8.360 nan 0.000 0.425 297 G N 0.568 109.332 108.800 -0.061 0.000 2.428 297 G HA2 0.480 4.440 3.960 -0.000 0.000 0.304 297 G HA3 0.480 4.440 3.960 -0.000 0.000 0.304 297 G C -1.538 173.352 174.900 -0.017 0.000 1.303 297 G CA -0.262 44.864 45.100 0.042 0.000 0.825 297 G HN 0.624 nan 8.290 nan 0.000 0.484 298 S N -1.614 114.127 115.700 0.067 0.000 2.546 298 S HA 0.553 5.022 4.470 -0.000 0.000 0.272 298 S C 1.122 175.785 174.600 0.105 0.000 1.140 298 S CA 0.770 58.996 58.200 0.044 0.000 0.920 298 S CB 1.487 64.716 63.200 0.049 0.000 1.083 298 S HN 1.627 nan 8.310 nan 0.000 0.476 299 T N 0.571 115.175 114.554 0.082 0.000 3.085 299 T HA 0.023 4.372 4.350 -0.000 0.000 0.263 299 T C 1.157 175.905 174.700 0.079 0.000 1.127 299 T CA 1.039 63.207 62.100 0.114 0.000 1.103 299 T CB -0.419 68.505 68.868 0.093 0.000 0.921 299 T HN 0.734 nan 8.240 nan 0.000 0.510 300 S N 0.409 116.145 115.700 0.059 0.000 2.601 300 S HA 0.387 4.857 4.470 -0.000 0.000 0.244 300 S C 0.544 175.173 174.600 0.047 0.000 1.001 300 S CA -0.625 57.602 58.200 0.045 0.000 0.984 300 S CB 0.013 63.232 63.200 0.032 0.000 0.842 300 S HN 0.405 nan 8.310 nan 0.000 0.474 301 S N 2.154 117.893 115.700 0.064 0.000 2.572 301 S HA 0.222 4.692 4.470 -0.000 0.000 0.279 301 S C 1.277 175.901 174.600 0.039 0.000 1.341 301 S CA 0.136 58.376 58.200 0.066 0.000 1.043 301 S CB 0.769 64.032 63.200 0.106 0.000 0.887 301 S HN 0.604 nan 8.310 nan 0.000 0.516 302 S N 2.486 118.200 115.700 0.024 0.000 2.575 302 S HA 0.067 4.537 4.470 -0.000 0.000 0.215 302 S C 1.219 175.789 174.600 -0.051 0.000 0.966 302 S CA 0.553 58.750 58.200 -0.006 0.000 0.911 302 S CB -0.240 62.958 63.200 -0.002 0.000 0.780 302 S HN 0.764 nan 8.310 nan 0.000 0.514 303 S N -0.431 115.231 115.700 -0.064 0.000 2.979 303 S HA 0.362 4.832 4.470 -0.000 0.000 0.243 303 S C -0.242 174.106 174.600 -0.421 0.000 1.036 303 S CA -0.354 57.700 58.200 -0.243 0.000 0.846 303 S CB -0.388 62.712 63.200 -0.165 0.000 0.806 303 S HN 0.442 nan 8.310 nan 0.000 0.568 304 Y N 3.750 124.079 120.300 0.048 0.000 2.662 304 Y HA 0.530 5.080 4.550 0.000 0.000 0.358 304 Y C -2.939 172.998 175.900 0.062 0.000 1.041 304 Y CA -2.726 55.400 58.100 0.044 0.000 1.184 304 Y CB 1.109 39.602 38.460 0.055 0.000 1.114 304 Y HN 0.220 nan 8.280 nan 0.000 0.650 305 P HA 0.008 nan 4.420 nan 0.000 0.276 305 P C -0.184 177.208 177.300 0.154 0.000 1.235 305 P CA -0.084 63.100 63.100 0.141 0.000 0.772 305 P CB 0.860 32.613 31.700 0.088 0.000 0.871 306 F N 3.136 123.105 119.950 0.031 0.000 2.578 306 F HA 0.070 4.597 4.527 -0.000 0.000 0.376 306 F C 1.501 177.291 175.800 -0.017 0.000 1.085 306 F CA 0.961 58.957 58.000 -0.006 0.000 1.260 306 F CB 0.825 39.814 39.000 -0.018 0.000 1.095 306 F HN 0.313 nan 8.300 nan 0.000 0.573 307 S N 4.562 119.931 115.700 -0.551 0.000 2.811 307 S HA 0.253 4.723 4.470 -0.000 0.000 0.237 307 S C -0.906 173.454 174.600 -0.400 0.000 1.038 307 S CA 0.503 58.519 58.200 -0.307 0.000 0.881 307 S CB -0.075 63.003 63.200 -0.204 0.000 0.815 307 S HN 0.737 nan 8.310 nan 0.000 0.582 308 Y N -2.211 117.538 120.300 -0.917 0.000 2.677 308 Y HA 0.801 5.351 4.550 -0.000 0.000 0.334 308 Y C 0.189 175.632 175.900 -0.760 0.000 1.196 308 Y CA -0.753 56.923 58.100 -0.706 0.000 1.059 308 Y CB 0.657 38.932 38.460 -0.307 0.000 1.315 308 Y HN 0.005 nan 8.280 nan 0.000 0.455 309 A N 0.404 123.034 122.820 -0.316 0.000 1.982 309 A HA 0.314 4.634 4.320 -0.000 0.000 0.217 309 A C -0.334 177.204 177.584 -0.077 0.000 1.457 309 A CA 0.231 52.008 52.037 -0.434 0.000 0.654 309 A CB -0.204 18.222 19.000 -0.957 0.000 1.150 309 A HN 0.624 nan 8.150 nan 0.000 0.509 310 W N 0.426 121.725 121.300 -0.002 0.000 2.351 310 W HA 0.598 5.257 4.660 -0.000 0.000 0.311 310 W C 0.219 176.827 176.519 0.148 0.000 1.168 310 W CA -1.167 56.206 57.345 0.047 0.000 1.200 310 W CB 0.083 29.535 29.460 -0.013 0.000 1.221 310 W HN 0.402 nan 8.180 nan 0.000 0.519 311 G N 4.236 113.289 108.800 0.423 0.000 2.468 311 G HA2 0.452 4.412 3.960 -0.000 0.000 0.320 311 G HA3 0.452 4.412 3.960 -0.000 0.000 0.320 311 G C -0.636 174.426 174.900 0.269 0.000 1.137 311 G CA -0.615 44.698 45.100 0.354 0.000 0.984 311 G HN 0.269 nan 8.290 nan 0.000 0.462 312 I N 3.709 124.399 120.570 0.199 0.000 2.260 312 I HA 0.226 4.396 4.170 -0.000 0.000 0.297 312 I C 1.200 177.439 176.117 0.203 0.000 1.143 312 I CA -0.706 60.681 61.300 0.146 0.000 1.271 312 I CB -0.043 37.995 38.000 0.064 0.000 1.461 312 I HN 0.368 nan 8.210 nan 0.000 0.530 313 G N 4.766 113.650 108.800 0.141 0.000 2.537 313 G HA2 0.232 4.192 3.960 -0.000 0.000 0.297 313 G HA3 0.232 4.192 3.960 -0.000 0.000 0.297 313 G C -0.085 174.767 174.900 -0.079 0.000 1.310 313 G CA -0.788 44.341 45.100 0.049 0.000 1.027 313 G HN 0.545 nan 8.290 nan 0.000 0.505 314 K N -0.041 120.246 120.400 -0.189 0.000 2.440 314 K HA 0.057 4.377 4.320 -0.000 0.000 0.275 314 K C 0.496 176.797 176.600 -0.497 0.000 1.082 314 K CA 1.022 57.119 56.287 -0.316 0.000 1.135 314 K CB -0.286 31.979 32.500 -0.393 0.000 0.864 314 K HN 0.450 nan 8.250 nan 0.000 0.479 315 S N 1.075 116.610 115.700 -0.275 0.000 3.476 315 S HA -0.187 4.283 4.470 -0.000 0.000 0.309 315 S C 0.031 174.571 174.600 -0.100 0.000 1.222 315 S CA 1.021 59.115 58.200 -0.176 0.000 0.922 315 S CB -1.641 61.448 63.200 -0.185 0.000 1.023 315 S HN 0.939 nan 8.310 nan 0.000 0.591 316 S N 0.312 115.963 115.700 -0.082 0.000 2.572 316 S HA 0.528 4.998 4.470 -0.000 0.000 0.279 316 S C -0.057 174.595 174.600 0.086 0.000 1.341 316 S CA -0.353 57.851 58.200 0.008 0.000 1.043 316 S CB 1.050 64.266 63.200 0.026 0.000 0.887 316 S HN 0.376 nan 8.310 nan 0.000 0.516 317 K N 1.603 122.090 120.400 0.145 0.000 3.206 317 K HA 0.396 4.716 4.320 -0.000 0.000 0.180 317 K C -0.930 175.953 176.600 0.471 0.000 1.088 317 K CA -0.035 56.425 56.287 0.289 0.000 0.872 317 K CB 0.286 32.932 32.500 0.244 0.000 0.976 317 K HN 0.625 nan 8.250 nan 0.000 0.564 318 I N 1.595 122.353 120.570 0.313 0.000 2.556 318 I HA -0.020 4.150 4.170 -0.000 0.000 0.284 318 I C -0.336 175.981 176.117 0.334 0.000 1.114 318 I CA -0.125 61.351 61.300 0.293 0.000 1.418 318 I CB 0.229 38.260 38.000 0.051 0.000 1.394 318 I HN 0.280 nan 8.210 nan 0.000 0.552 319 Y N 6.639 127.096 120.300 0.262 0.000 2.464 319 Y HA 0.639 5.188 4.550 -0.000 0.000 0.326 319 Y C -0.205 175.800 175.900 0.175 0.000 0.969 319 Y CA -0.747 57.421 58.100 0.114 0.000 1.270 319 Y CB 1.039 39.283 38.460 -0.360 0.000 1.103 319 Y HN 0.591 nan 8.280 nan 0.000 0.491 320 A N 5.673 128.505 122.820 0.020 0.000 2.318 320 A HA 0.748 5.068 4.320 -0.000 0.000 0.324 320 A C -1.078 176.552 177.584 0.075 0.000 1.170 320 A CA -0.648 51.378 52.037 -0.019 0.000 0.810 320 A CB 1.008 19.738 19.000 -0.449 0.000 1.198 320 A HN 0.778 nan 8.150 nan 0.000 0.484 321 Q N 1.477 121.401 119.800 0.206 0.000 2.305 321 Q HA 0.355 4.695 4.340 -0.000 0.000 0.271 321 Q C -1.053 175.066 176.000 0.198 0.000 1.046 321 Q CA -1.017 54.898 55.803 0.187 0.000 0.798 321 Q CB 1.689 30.559 28.738 0.219 0.000 1.286 321 Q HN 0.775 nan 8.270 nan 0.000 0.435 322 N N 2.158 120.950 118.700 0.154 0.000 2.667 322 N HA -0.178 4.562 4.740 -0.000 0.000 0.263 322 N C -1.443 174.187 175.510 0.200 0.000 1.038 322 N CA 0.820 53.962 53.050 0.153 0.000 0.749 322 N CB -0.936 37.627 38.487 0.128 0.000 0.892 322 N HN 0.561 nan 8.380 nan 0.000 0.546 323 N N -0.385 118.471 118.700 0.261 0.000 2.417 323 N HA 0.539 5.279 4.740 -0.000 0.000 0.300 323 N C -0.366 175.315 175.510 0.284 0.000 1.102 323 N CA -0.418 52.842 53.050 0.349 0.000 0.886 323 N CB 2.048 40.883 38.487 0.580 0.000 1.203 323 N HN -0.092 nan 8.380 nan 0.000 0.496 324 V N 2.674 122.789 119.914 0.334 0.000 2.487 324 V HA 0.513 4.633 4.120 -0.000 0.000 0.298 324 V C -0.077 176.176 176.094 0.265 0.000 1.028 324 V CA -0.636 61.839 62.300 0.291 0.000 0.860 324 V CB 1.516 33.558 31.823 0.366 0.000 0.991 324 V HN 0.497 nan 8.190 nan 0.000 0.427 325 I N 3.748 124.366 120.570 0.080 0.000 2.418 325 I HA 0.478 4.648 4.170 -0.000 0.000 0.287 325 I C -0.988 175.064 176.117 -0.109 0.000 1.008 325 I CA -0.355 60.897 61.300 -0.080 0.000 1.104 325 I CB 2.028 39.883 38.000 -0.241 0.000 1.264 325 I HN 0.461 nan 8.210 nan 0.000 0.438 326 D N 6.383 126.678 120.400 -0.174 0.000 2.432 326 D HA 0.373 5.013 4.640 -0.000 0.000 0.265 326 D C -0.899 175.276 176.300 -0.209 0.000 1.160 326 D CA 0.062 53.995 54.000 -0.113 0.000 0.911 326 D CB 1.874 42.693 40.800 0.032 0.000 1.052 326 D HN 0.046 nan 8.370 nan 0.000 0.508 327 V N 3.871 123.620 119.914 -0.274 0.000 2.445 327 V HA 0.275 4.395 4.120 -0.000 0.000 0.283 327 V C -2.285 173.683 176.094 -0.210 0.000 1.014 327 V CA -1.778 60.316 62.300 -0.343 0.000 0.852 327 V CB 1.912 33.294 31.823 -0.736 0.000 1.021 327 V HN 0.206 nan 8.190 nan 0.000 0.435 328 P HA 0.145 nan 4.420 nan 0.000 0.261 328 P C 1.153 178.411 177.300 -0.070 0.000 1.173 328 P CA 1.727 64.782 63.100 -0.075 0.000 0.760 328 P CB 0.538 32.213 31.700 -0.042 0.000 0.783 329 G N 1.721 110.486 108.800 -0.058 0.000 2.184 329 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.264 329 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.264 329 G C -0.020 174.850 174.900 -0.050 0.000 0.975 329 G CA -0.104 44.970 45.100 -0.044 0.000 0.642 329 G HN 0.582 nan 8.290 nan 0.000 0.536 330 L N 2.604 123.779 121.223 -0.081 0.000 2.416 330 L HA 0.628 4.968 4.340 -0.000 0.000 0.272 330 L C 1.115 177.944 176.870 -0.069 0.000 1.161 330 L CA 0.413 55.206 54.840 -0.078 0.000 0.845 330 L CB 1.006 42.976 42.059 -0.149 0.000 1.119 330 L HN 0.588 nan 8.230 nan 0.000 0.464 331 S N 3.453 119.124 115.700 -0.048 0.000 2.652 331 S HA 0.580 5.050 4.470 -0.000 0.000 0.270 331 S C 1.185 175.746 174.600 -0.065 0.000 1.243 331 S CA -0.292 57.878 58.200 -0.050 0.000 0.999 331 S CB 1.281 64.458 63.200 -0.039 0.000 0.973 331 S HN 0.890 nan 8.310 nan 0.000 0.544 332 A N 1.864 124.644 122.820 -0.066 0.000 1.883 332 A HA 0.053 4.372 4.320 -0.000 0.000 0.217 332 A C 2.378 179.913 177.584 -0.082 0.000 1.186 332 A CA 2.012 54.002 52.037 -0.078 0.000 0.624 332 A CB -1.713 17.248 19.000 -0.064 0.000 0.822 332 A HN 1.387 nan 8.150 nan 0.000 0.444 333 A N -0.532 122.247 122.820 -0.067 0.000 1.972 333 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 333 A C 1.942 179.478 177.584 -0.079 0.000 1.169 333 A CA 1.569 53.564 52.037 -0.071 0.000 0.635 333 A CB -0.338 18.625 19.000 -0.063 0.000 0.810 333 A HN 0.483 nan 8.150 nan 0.000 0.446 334 K N 0.250 120.614 120.400 -0.061 0.000 2.505 334 K HA -0.018 4.302 4.320 -0.000 0.000 0.192 334 K C 1.570 178.169 176.600 -0.001 0.000 1.025 334 K CA 0.998 57.264 56.287 -0.035 0.000 1.086 334 K CB -0.212 32.289 32.500 0.001 0.000 0.840 334 K HN 0.757 nan 8.250 nan 0.000 0.514 335 T N -0.638 113.874 114.554 -0.070 0.000 2.951 335 T HA -0.018 4.332 4.350 -0.000 0.000 0.268 335 T C 1.242 175.837 174.700 -0.175 0.000 1.073 335 T CA 0.365 62.389 62.100 -0.127 0.000 1.134 335 T CB -0.475 68.204 68.868 -0.314 0.000 0.884 335 T HN 0.287 nan 8.240 nan 0.000 0.479 336 I N -2.071 118.412 120.570 -0.145 0.000 3.067 336 I HA 0.807 4.977 4.170 -0.000 0.000 0.312 336 I C -0.872 175.086 176.117 -0.266 0.000 1.073 336 I CA -1.416 59.810 61.300 -0.123 0.000 1.016 336 I CB 2.481 40.462 38.000 -0.033 0.000 1.227 336 I HN -0.050 nan 8.210 nan 0.000 0.456 337 S N 2.489 117.884 115.700 -0.509 0.000 2.561 337 S HA 0.677 5.147 4.470 -0.000 0.000 0.303 337 S C -0.975 173.168 174.600 -0.762 0.000 1.110 337 S CA -0.481 57.232 58.200 -0.812 0.000 1.034 337 S CB 1.528 63.865 63.200 -1.438 0.000 1.010 337 S HN 0.513 nan 8.310 nan 0.000 0.482 338 V N 5.887 125.395 119.914 -0.676 0.000 2.394 338 V HA 0.582 4.702 4.120 -0.000 0.000 0.282 338 V C -0.778 174.926 176.094 -0.651 0.000 1.031 338 V CA -0.465 61.547 62.300 -0.481 0.000 0.881 338 V CB 0.632 32.306 31.823 -0.247 0.000 0.982 338 V HN 0.808 nan 8.190 nan 0.000 0.451 339 F N 1.083 120.959 119.950 -0.123 0.000 2.483 339 F HA 0.502 5.029 4.527 -0.000 0.000 0.329 339 F C 1.019 176.766 175.800 -0.088 0.000 1.064 339 F CA -0.773 57.163 58.000 -0.107 0.000 0.986 339 F CB 1.426 40.361 39.000 -0.109 0.000 1.218 339 F HN 0.468 nan 8.300 nan 0.000 0.484 340 S N 0.507 116.275 115.700 0.113 0.000 2.563 340 S HA 0.358 4.828 4.470 -0.000 0.000 0.294 340 S C 1.024 175.631 174.600 0.012 0.000 1.279 340 S CA 0.177 58.398 58.200 0.034 0.000 1.069 340 S CB 0.127 63.341 63.200 0.023 0.000 0.828 340 S HN 1.306 nan 8.310 nan 0.000 0.497 341 G N 2.135 110.928 108.800 -0.012 0.000 2.234 341 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.235 341 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.235 341 G C 0.303 175.179 174.900 -0.040 0.000 0.997 341 G CA -0.328 44.749 45.100 -0.038 0.000 0.623 341 G HN 1.311 nan 8.290 nan 0.000 0.514 342 G N 0.315 109.105 108.800 -0.016 0.000 2.338 342 G HA2 0.594 4.554 3.960 -0.000 0.000 0.295 342 G HA3 0.594 4.554 3.960 -0.000 0.000 0.295 342 G C 0.785 175.682 174.900 -0.005 0.000 1.132 342 G CA 1.066 46.162 45.100 -0.006 0.000 0.922 342 G HN 1.224 nan 8.290 nan 0.000 0.427 343 T N -1.449 113.108 114.554 0.006 0.000 3.087 343 T HA 0.603 4.953 4.350 -0.000 0.000 0.283 343 T C 0.555 175.271 174.700 0.027 0.000 0.956 343 T CA 0.575 62.681 62.100 0.010 0.000 0.894 343 T CB 0.562 69.436 68.868 0.011 0.000 1.160 343 T HN 1.080 nan 8.240 nan 0.000 0.532 344 A N 1.031 123.878 122.820 0.045 0.000 2.515 344 A HA 0.886 5.206 4.320 -0.000 0.000 0.298 344 A C -1.902 175.734 177.584 0.087 0.000 1.059 344 A CA -0.886 51.192 52.037 0.069 0.000 0.698 344 A CB 1.980 21.035 19.000 0.091 0.000 1.289 344 A HN 0.662 nan 8.150 nan 0.000 0.404 345 L N 0.969 122.246 121.223 0.090 0.000 2.611 345 L HA 0.573 4.913 4.340 -0.000 0.000 0.260 345 L C -2.074 174.840 176.870 0.072 0.000 0.924 345 L CA -0.210 54.684 54.840 0.091 0.000 0.901 345 L CB 1.657 43.763 42.059 0.079 0.000 1.369 345 L HN 0.812 nan 8.230 nan 0.000 0.415 346 Y N 5.141 125.387 120.300 -0.089 0.000 2.331 346 Y HA 0.709 5.259 4.550 -0.000 0.000 0.338 346 Y C -1.081 174.663 175.900 -0.262 0.000 0.976 346 Y CA -0.355 57.605 58.100 -0.233 0.000 1.137 346 Y CB 1.007 39.182 38.460 -0.475 0.000 1.172 346 Y HN 0.718 nan 8.280 nan 0.000 0.478 347 D N 3.800 123.742 120.400 -0.764 0.000 2.964 347 D HA 0.399 5.039 4.640 -0.000 0.000 0.234 347 D C -1.630 174.293 176.300 -0.629 0.000 1.223 347 D CA -0.590 53.118 54.000 -0.486 0.000 0.889 347 D CB 1.872 42.654 40.800 -0.030 0.000 1.609 347 D HN 0.516 nan 8.370 nan 0.000 0.523 348 S N -0.016 115.432 115.700 -0.421 0.000 2.541 348 S HA 0.634 5.104 4.470 -0.000 0.000 0.280 348 S C 0.810 175.379 174.600 -0.052 0.000 1.112 348 S CA -0.049 58.000 58.200 -0.252 0.000 0.925 348 S CB 1.508 64.589 63.200 -0.199 0.000 1.067 348 S HN 1.381 nan 8.310 nan 0.000 0.479 349 G N 1.805 110.592 108.800 -0.022 0.000 2.153 349 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.252 349 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.252 349 G C 0.138 175.072 174.900 0.057 0.000 0.994 349 G CA 0.209 45.325 45.100 0.028 0.000 0.698 349 G HN 1.175 nan 8.290 nan 0.000 0.521 350 T N 1.044 115.628 114.554 0.051 0.000 2.853 350 T HA 0.449 4.799 4.350 -0.000 0.000 0.298 350 T C 0.585 175.304 174.700 0.032 0.000 0.978 350 T CA 0.262 62.404 62.100 0.070 0.000 1.152 350 T CB 1.139 70.038 68.868 0.053 0.000 0.914 350 T HN 0.299 nan 8.240 nan 0.000 0.539 351 L N 4.380 125.631 121.223 0.046 0.000 2.298 351 L HA 0.493 4.833 4.340 -0.000 0.000 0.284 351 L C -0.634 176.238 176.870 0.003 0.000 1.013 351 L CA -1.013 53.846 54.840 0.031 0.000 0.824 351 L CB 1.470 43.567 42.059 0.063 0.000 1.221 351 L HN 0.423 nan 8.230 nan 0.000 0.418 352 L N 5.587 126.793 121.223 -0.030 0.000 2.294 352 L HA 0.467 4.807 4.340 -0.000 0.000 0.283 352 L C 0.001 176.844 176.870 -0.046 0.000 1.015 352 L CA 0.058 54.858 54.840 -0.065 0.000 0.831 352 L CB 0.579 42.579 42.059 -0.099 0.000 1.217 352 L HN 0.553 nan 8.230 nan 0.000 0.420 353 N N 4.349 123.026 118.700 -0.037 0.000 2.725 353 N HA -0.210 4.530 4.740 -0.000 0.000 0.251 353 N C 0.981 176.490 175.510 -0.002 0.000 1.031 353 N CA 1.318 54.355 53.050 -0.021 0.000 0.720 353 N CB -1.361 37.100 38.487 -0.044 0.000 0.930 353 N HN 1.229 nan 8.380 nan 0.000 0.543 354 G N -2.766 106.044 108.800 0.016 0.000 2.179 354 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.260 354 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.260 354 G C 0.125 175.031 174.900 0.009 0.000 0.977 354 G CA 0.740 45.850 45.100 0.018 0.000 0.641 354 G HN 0.603 nan 8.290 nan 0.000 0.533 355 T N 1.501 116.055 114.554 -0.001 0.000 2.841 355 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 355 T C -0.015 174.680 174.700 -0.008 0.000 1.000 355 T CA -0.584 61.512 62.100 -0.005 0.000 0.977 355 T CB 1.794 70.654 68.868 -0.014 0.000 0.979 355 T HN 0.345 nan 8.240 nan 0.000 0.446 356 Q N 2.504 122.301 119.800 -0.005 0.000 2.313 356 Q HA 0.475 4.814 4.340 -0.000 0.000 0.266 356 Q C -0.030 175.958 176.000 -0.020 0.000 0.989 356 Q CA -0.022 55.777 55.803 -0.007 0.000 0.890 356 Q CB 0.567 29.303 28.738 -0.004 0.000 1.200 356 Q HN 0.655 nan 8.270 nan 0.000 0.396 357 I N -1.101 119.453 120.570 -0.028 0.000 3.239 357 I HA 0.563 4.732 4.170 -0.000 0.000 0.314 357 I C -0.706 175.384 176.117 -0.045 0.000 1.126 357 I CA -1.236 60.040 61.300 -0.040 0.000 0.973 357 I CB 2.201 40.169 38.000 -0.054 0.000 1.252 357 I HN 0.296 nan 8.210 nan 0.000 0.463 358 N N 1.693 120.363 118.700 -0.050 0.000 2.623 358 N HA 0.462 5.202 4.740 -0.000 0.000 0.256 358 N C 0.307 175.788 175.510 -0.049 0.000 1.045 358 N CA -0.062 52.953 53.050 -0.059 0.000 0.863 358 N CB 1.829 40.276 38.487 -0.066 0.000 1.182 358 N HN 0.899 nan 8.380 nan 0.000 0.523 359 A N 2.278 125.078 122.820 -0.034 0.000 1.908 359 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 359 A C 2.152 179.730 177.584 -0.010 0.000 1.181 359 A CA 2.001 54.024 52.037 -0.025 0.000 0.627 359 A CB -0.535 18.468 19.000 0.004 0.000 0.818 359 A HN 0.612 nan 8.150 nan 0.000 0.445 360 S N -0.492 115.205 115.700 -0.004 0.000 2.348 360 S HA -0.066 4.403 4.470 -0.000 0.000 0.221 360 S C 2.218 176.805 174.600 -0.023 0.000 1.033 360 S CA 1.696 59.891 58.200 -0.009 0.000 1.010 360 S CB -0.517 62.666 63.200 -0.028 0.000 0.891 360 S HN 0.851 nan 8.310 nan 0.000 0.442 361 A N 1.235 124.034 122.820 -0.035 0.000 1.933 361 A HA 0.189 4.509 4.320 -0.000 0.000 0.218 361 A C 2.415 179.979 177.584 -0.032 0.000 1.175 361 A CA 1.836 53.854 52.037 -0.032 0.000 0.628 361 A CB -1.283 17.695 19.000 -0.036 0.000 0.814 361 A HN 0.764 nan 8.150 nan 0.000 0.444 362 A N -0.220 122.577 122.820 -0.037 0.000 2.019 362 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 362 A C 1.710 179.269 177.584 -0.043 0.000 1.164 362 A CA 1.475 53.487 52.037 -0.040 0.000 0.644 362 A CB -0.420 18.552 19.000 -0.047 0.000 0.805 362 A HN 0.578 nan 8.150 nan 0.000 0.449 363 N N -1.014 117.661 118.700 -0.043 0.000 2.230 363 N HA 0.155 4.895 4.740 -0.000 0.000 0.202 363 N C 0.928 176.414 175.510 -0.041 0.000 1.119 363 N CA 0.770 53.790 53.050 -0.050 0.000 0.851 363 N CB 0.528 38.979 38.487 -0.059 0.000 0.990 363 N HN 0.567 nan 8.380 nan 0.000 0.497 364 G N 1.415 110.197 108.800 -0.031 0.000 2.179 364 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 364 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 364 G C 0.060 174.951 174.900 -0.015 0.000 1.010 364 G CA 0.204 45.291 45.100 -0.023 0.000 0.736 364 G HN 0.238 nan 8.290 nan 0.000 0.513 365 L N 0.147 121.363 121.223 -0.012 0.000 2.439 365 L HA 0.630 4.970 4.340 -0.000 0.000 0.259 365 L C 1.245 178.122 176.870 0.012 0.000 1.129 365 L CA -0.417 54.424 54.840 0.001 0.000 0.803 365 L CB 1.378 43.441 42.059 0.007 0.000 1.161 365 L HN 0.208 nan 8.230 nan 0.000 0.462 366 S N -0.478 115.237 115.700 0.025 0.000 2.584 366 S HA 0.123 4.593 4.470 -0.000 0.000 0.273 366 S C 0.930 175.563 174.600 0.055 0.000 1.311 366 S CA -0.303 57.920 58.200 0.037 0.000 1.034 366 S CB 1.048 64.274 63.200 0.043 0.000 0.939 366 S HN 0.696 nan 8.310 nan 0.000 0.513 367 S N 2.286 118.026 115.700 0.066 0.000 2.575 367 S HA 0.109 4.579 4.470 -0.000 0.000 0.215 367 S C 0.720 175.409 174.600 0.148 0.000 0.966 367 S CA 0.005 58.271 58.200 0.111 0.000 0.911 367 S CB -0.090 63.177 63.200 0.111 0.000 0.780 367 S HN 0.622 nan 8.310 nan 0.000 0.514 368 S N 2.168 117.932 115.700 0.106 0.000 2.411 368 S HA 0.310 4.780 4.470 -0.000 0.000 0.304 368 S C 0.777 175.454 174.600 0.128 0.000 1.098 368 S CA -0.387 57.872 58.200 0.099 0.000 1.068 368 S CB 0.410 63.654 63.200 0.075 0.000 1.032 368 S HN 0.562 nan 8.310 nan 0.000 0.511 369 V N 2.517 122.531 119.914 0.166 0.000 3.621 369 V HA 0.489 4.609 4.120 -0.000 0.000 0.285 369 V C 1.555 177.856 176.094 0.345 0.000 1.346 369 V CA 0.291 62.752 62.300 0.269 0.000 1.104 369 V CB -0.894 31.158 31.823 0.382 0.000 0.913 369 V HN 1.194 nan 8.190 nan 0.000 0.432 370 G N -0.346 108.593 108.800 0.232 0.000 2.148 370 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.254 370 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.254 370 G C -0.178 174.912 174.900 0.317 0.000 0.981 370 G CA 0.537 45.770 45.100 0.222 0.000 0.670 370 G HN 1.473 nan 8.290 nan 0.000 0.528 371 W N -0.584 120.732 121.300 0.028 0.000 3.146 371 W HA 0.724 5.384 4.660 -0.000 0.000 0.319 371 W C -0.522 175.910 176.519 -0.144 0.000 1.258 371 W CA -0.620 56.713 57.345 -0.020 0.000 1.189 371 W CB 0.627 30.106 29.460 0.032 0.000 1.412 371 W HN 0.862 nan 8.180 nan 0.000 0.567 372 T N -0.012 114.280 114.554 -0.436 0.000 2.886 372 T HA 0.562 4.912 4.350 -0.000 0.000 0.292 372 T C -2.853 171.368 174.700 -0.797 0.000 1.012 372 T CA -1.871 59.622 62.100 -1.011 0.000 0.982 372 T CB 1.930 70.421 68.868 -0.629 0.000 1.018 372 T HN 0.209 nan 8.240 nan 0.000 0.451 373 P HA 0.190 nan 4.420 nan 0.000 0.267 373 P C 0.747 177.839 177.300 -0.347 0.000 1.209 373 P CA -0.287 62.399 63.100 -0.690 0.000 0.763 373 P CB 0.820 31.841 31.700 -1.131 0.000 0.816 374 S N 2.699 118.238 115.700 -0.268 0.000 2.497 374 S HA 0.133 4.602 4.470 -0.000 0.000 0.218 374 S C 0.584 175.035 174.600 -0.249 0.000 1.023 374 S CA -0.038 58.038 58.200 -0.207 0.000 0.913 374 S CB -0.204 62.913 63.200 -0.139 0.000 0.800 374 S HN 0.273 nan 8.310 nan 0.000 0.505 375 L N 3.711 124.766 121.223 -0.279 0.000 2.283 375 L HA 0.614 4.954 4.340 -0.000 0.000 0.281 375 L C -0.659 176.175 176.870 -0.060 0.000 1.033 375 L CA -0.612 54.102 54.840 -0.210 0.000 0.848 375 L CB 0.466 42.417 42.059 -0.180 0.000 1.226 375 L HN 0.521 nan 8.230 nan 0.000 0.429 376 H N 0.803 119.831 119.070 -0.069 0.000 3.068 376 H HA 0.677 5.233 4.556 -0.000 0.000 0.342 376 H C -0.337 174.966 175.328 -0.042 0.000 1.284 376 H CA -0.670 55.361 56.048 -0.027 0.000 1.181 376 H CB 0.709 30.417 29.762 -0.090 0.000 1.898 376 H HN 0.381 nan 8.280 nan 0.000 0.540 377 G N 0.296 109.188 108.800 0.154 0.000 2.508 377 G HA2 0.393 4.353 3.960 -0.000 0.000 0.278 377 G HA3 0.393 4.353 3.960 -0.000 0.000 0.278 377 G C -0.550 174.474 174.900 0.206 0.000 1.389 377 G CA -0.654 44.523 45.100 0.128 0.000 1.050 377 G HN 0.689 nan 8.290 nan 0.000 0.522 378 S N -0.765 115.036 115.700 0.169 0.000 2.560 378 S HA 0.182 4.652 4.470 -0.000 0.000 0.284 378 S C 0.199 174.906 174.600 0.179 0.000 1.327 378 S CA 0.036 58.332 58.200 0.159 0.000 1.055 378 S CB 0.511 63.791 63.200 0.135 0.000 0.868 378 S HN 0.320 nan 8.310 nan 0.000 0.506 379 I N 3.000 123.622 120.570 0.087 0.000 2.315 379 I HA 0.201 4.371 4.170 -0.000 0.000 0.291 379 I C -0.205 175.991 176.117 0.131 0.000 1.006 379 I CA -0.752 60.584 61.300 0.060 0.000 1.265 379 I CB 0.995 38.913 38.000 -0.137 0.000 1.387 379 I HN 0.450 nan 8.210 nan 0.000 0.475 380 D N 5.163 125.687 120.400 0.206 0.000 2.339 380 D HA 0.315 4.954 4.640 -0.000 0.000 0.245 380 D C 0.248 176.623 176.300 0.125 0.000 1.115 380 D CA -0.099 54.010 54.000 0.182 0.000 0.917 380 D CB 1.252 42.196 40.800 0.239 0.000 1.192 380 D HN 0.564 nan 8.370 nan 0.000 0.428 381 A N 1.178 124.059 122.820 0.102 0.000 2.445 381 A HA 0.167 4.487 4.320 -0.000 0.000 0.242 381 A C 1.433 179.068 177.584 0.085 0.000 1.075 381 A CA -0.211 51.874 52.037 0.080 0.000 0.777 381 A CB 0.287 19.326 19.000 0.065 0.000 1.013 381 A HN 0.481 nan 8.150 nan 0.000 0.493 382 S N 1.600 117.348 115.700 0.080 0.000 2.400 382 S HA -0.178 4.292 4.470 -0.000 0.000 0.232 382 S C 2.163 176.807 174.600 0.074 0.000 1.025 382 S CA 1.538 59.791 58.200 0.087 0.000 0.993 382 S CB -0.409 62.841 63.200 0.083 0.000 0.808 382 S HN 1.061 nan 8.310 nan 0.000 0.478 383 A N 1.960 124.815 122.820 0.058 0.000 2.076 383 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 383 A C 1.722 179.329 177.584 0.037 0.000 1.160 383 A CA 1.314 53.377 52.037 0.044 0.000 0.653 383 A CB -0.283 18.739 19.000 0.037 0.000 0.801 383 A HN 0.445 nan 8.150 nan 0.000 0.455 384 N N -0.881 117.849 118.700 0.051 0.000 2.205 384 N HA 0.097 4.837 4.740 -0.000 0.000 0.201 384 N C 1.319 176.861 175.510 0.053 0.000 1.128 384 N CA 0.484 53.563 53.050 0.049 0.000 0.867 384 N CB 0.475 39.004 38.487 0.070 0.000 0.996 384 N HN 0.225 nan 8.380 nan 0.000 0.503 385 V N 1.537 121.486 119.914 0.059 0.000 2.295 385 V HA -0.237 3.882 4.120 -0.000 0.000 0.246 385 V C 2.543 178.616 176.094 -0.036 0.000 1.049 385 V CA 1.643 63.980 62.300 0.062 0.000 1.024 385 V CB -0.342 31.539 31.823 0.096 0.000 0.648 385 V HN 0.289 nan 8.190 nan 0.000 0.447 386 K N 0.124 120.423 120.400 -0.167 0.000 2.020 386 K HA -0.221 4.099 4.320 -0.000 0.000 0.212 386 K C 2.331 178.742 176.600 -0.315 0.000 1.050 386 K CA 2.177 58.157 56.287 -0.512 0.000 0.929 386 K CB -0.274 31.894 32.500 -0.553 0.000 0.714 386 K HN 0.472 nan 8.250 nan 0.000 0.443 387 S N 1.084 116.693 115.700 -0.152 0.000 2.368 387 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 387 S C 1.619 176.203 174.600 -0.027 0.000 1.030 387 S CA 1.380 59.531 58.200 -0.082 0.000 0.999 387 S CB -0.469 62.709 63.200 -0.037 0.000 0.844 387 S HN 0.375 nan 8.310 nan 0.000 0.459 388 N N 1.368 120.085 118.700 0.028 0.000 2.084 388 N HA -0.053 4.687 4.740 -0.000 0.000 0.190 388 N C 1.764 177.354 175.510 0.133 0.000 1.030 388 N CA 1.046 54.162 53.050 0.110 0.000 0.849 388 N CB -0.850 37.757 38.487 0.201 0.000 1.012 388 N HN 0.208 nan 8.380 nan 0.000 0.423 389 V N 1.522 121.497 119.914 0.101 0.000 2.307 389 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 389 V C 2.266 178.356 176.094 -0.008 0.000 1.045 389 V CA 1.111 63.463 62.300 0.086 0.000 1.024 389 V CB -0.417 31.450 31.823 0.074 0.000 0.651 389 V HN 0.226 nan 8.190 nan 0.000 0.449 390 I N 0.584 121.100 120.570 -0.090 0.000 2.208 390 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 390 I C 2.275 178.340 176.117 -0.087 0.000 1.097 390 I CA 1.501 62.724 61.300 -0.128 0.000 1.363 390 I CB -0.424 37.488 38.000 -0.145 0.000 1.051 390 I HN 0.377 nan 8.210 nan 0.000 0.413 391 N N 0.135 118.814 118.700 -0.035 0.000 2.409 391 N HA -0.104 4.636 4.740 -0.000 0.000 0.179 391 N C 1.563 177.087 175.510 0.022 0.000 1.032 391 N CA 0.982 54.026 53.050 -0.010 0.000 0.898 391 N CB 0.141 38.628 38.487 0.001 0.000 0.971 391 N HN 0.546 nan 8.380 nan 0.000 0.441 392 Q N -0.595 119.248 119.800 0.071 0.000 2.280 392 Q HA 0.320 4.660 4.340 -0.000 0.000 0.244 392 Q C 0.012 176.126 176.000 0.190 0.000 0.847 392 Q CA -0.226 55.654 55.803 0.128 0.000 0.945 392 Q CB 1.067 29.902 28.738 0.163 0.000 1.115 392 Q HN 0.122 nan 8.270 nan 0.000 0.513 393 A N 0.815 123.713 122.820 0.130 0.000 2.340 393 A HA 0.658 4.978 4.320 -0.000 0.000 0.268 393 A C 0.496 178.115 177.584 0.059 0.000 1.100 393 A CA 0.648 52.733 52.037 0.080 0.000 0.803 393 A CB 0.241 19.249 19.000 0.013 0.000 1.043 393 A HN 0.263 nan 8.150 nan 0.000 0.488 394 G N -0.726 108.133 108.800 0.098 0.000 2.555 394 G HA2 0.498 4.458 3.960 -0.000 0.000 0.686 394 G HA3 0.498 4.458 3.960 -0.000 0.000 0.686 394 G C -0.080 174.904 174.900 0.139 0.000 1.275 394 G CA -0.225 44.968 45.100 0.154 0.000 0.871 394 G HN 2.190 nan 8.290 nan 0.000 0.603 395 A N -0.503 122.352 122.820 0.057 0.000 2.386 395 A HA 0.795 5.115 4.320 -0.000 0.000 0.248 395 A C 1.927 179.520 177.584 0.015 0.000 1.082 395 A CA 1.948 53.989 52.037 0.005 0.000 0.789 395 A CB 0.325 19.275 19.000 -0.084 0.000 1.025 395 A HN 2.993 nan 8.150 nan 0.000 0.490 396 G N 0.525 109.316 108.800 -0.016 0.000 2.175 396 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 396 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 396 G C 0.842 175.726 174.900 -0.026 0.000 0.982 396 G CA 0.600 45.686 45.100 -0.022 0.000 0.641 396 G HN 0.662 nan 8.290 nan 0.000 0.527 397 K N -0.319 120.065 120.400 -0.027 0.000 2.361 397 K HA 0.306 4.626 4.320 -0.000 0.000 0.196 397 K C 1.217 177.732 176.600 -0.141 0.000 1.039 397 K CA 0.839 57.094 56.287 -0.053 0.000 1.001 397 K CB 0.193 32.702 32.500 0.015 0.000 0.795 397 K HN 0.605 nan 8.250 nan 0.000 0.495 398 L N 0.379 121.490 121.223 -0.186 0.000 2.230 398 L HA 0.482 4.821 4.340 -0.000 0.000 0.255 398 L C -0.182 176.625 176.870 -0.106 0.000 1.039 398 L CA -1.189 53.537 54.840 -0.190 0.000 0.846 398 L CB 1.164 43.046 42.059 -0.296 0.000 1.419 398 L HN -0.024 nan 8.230 nan 0.000 0.435 399 N N 0.000 118.657 118.700 -0.072 0.000 1.763 399 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 399 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 399 N CB 0.000 38.468 38.487 -0.032 0.000 1.341 399 N HN 0.000 nan 8.380 nan 0.000 0.667