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 2vmy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE GVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.231 176.300 -0.115 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.689 32.600 0.149 0.000 1.302 2 K N 0.770 121.060 120.400 -0.184 0.000 2.325 2 K HA 0.234 4.574 4.320 0.033 0.000 0.203 2 K C 0.714 177.030 176.600 -0.473 0.000 1.128 2 K CA 0.698 56.740 56.287 -0.409 0.000 0.931 2 K CB 0.521 32.646 32.500 -0.624 0.000 1.125 2 K HN 0.662 nan 8.250 nan 0.000 0.487 3 Y N 0.417 120.651 120.300 -0.110 0.000 2.476 3 Y HA 0.032 4.599 4.550 0.028 0.000 0.283 3 Y C 1.774 177.602 175.900 -0.120 0.000 1.109 3 Y CA -0.022 58.016 58.100 -0.103 0.000 1.246 3 Y CB 0.109 38.528 38.460 -0.067 0.000 1.068 3 Y HN 0.054 nan 8.280 nan 0.000 0.552 4 L N 2.099 123.325 121.223 0.004 0.000 2.056 4 L HA -0.001 4.358 4.340 0.033 0.000 0.207 4 L C -0.705 176.052 176.870 -0.189 0.000 1.078 4 L CA 1.640 56.465 54.840 -0.024 0.000 0.749 4 L CB -1.583 40.524 42.059 0.080 0.000 0.901 4 L HN -0.047 nan 8.230 nan 0.000 0.433 5 P HA -0.206 nan 4.420 nan 0.000 0.218 5 P C 1.376 178.477 177.300 -0.333 0.000 1.148 5 P CA 1.545 64.125 63.100 -0.866 0.000 0.822 5 P CB 0.068 30.977 31.700 -1.319 0.000 0.784 6 Q N -0.251 119.411 119.800 -0.230 0.000 1.994 6 Q HA -0.163 4.197 4.340 0.033 0.000 0.198 6 Q C 2.585 178.553 176.000 -0.053 0.000 0.976 6 Q CA 1.420 57.154 55.803 -0.115 0.000 0.828 6 Q CB -0.407 28.281 28.738 -0.083 0.000 0.894 6 Q HN 0.227 nan 8.270 nan 0.000 0.432 7 Q N -0.010 119.775 119.800 -0.025 0.000 2.172 7 Q HA -0.100 4.260 4.340 0.033 0.000 0.200 7 Q C -0.227 175.776 176.000 0.005 0.000 0.964 7 Q CA 0.886 56.688 55.803 -0.001 0.000 0.855 7 Q CB 0.631 29.377 28.738 0.014 0.000 0.918 7 Q HN 0.032 nan 8.270 nan 0.000 0.444 8 D N -1.313 119.094 120.400 0.012 0.000 2.364 8 D HA 0.178 4.838 4.640 0.033 0.000 0.251 8 D C -2.301 174.050 176.300 0.086 0.000 1.282 8 D CA -1.752 52.274 54.000 0.043 0.000 0.927 8 D CB 1.564 42.395 40.800 0.051 0.000 1.267 8 D HN -0.020 nan 8.370 nan 0.000 0.531 9 P HA -0.081 nan 4.420 nan 0.000 0.218 9 P C 1.407 178.797 177.300 0.150 0.000 1.149 9 P CA 0.990 64.174 63.100 0.138 0.000 0.817 9 P CB 0.652 32.401 31.700 0.081 0.000 0.785 10 Q N -0.661 119.193 119.800 0.089 0.000 2.050 10 Q HA -0.104 4.256 4.340 0.033 0.000 0.202 10 Q C 2.093 178.131 176.000 0.063 0.000 0.980 10 Q CA 1.388 57.229 55.803 0.062 0.000 0.840 10 Q CB -0.755 28.006 28.738 0.039 0.000 0.898 10 Q HN 0.103 nan 8.270 nan 0.000 0.424 11 V N 0.419 120.380 119.914 0.079 0.000 2.358 11 V HA -0.220 3.920 4.120 0.033 0.000 0.246 11 V C 1.898 178.051 176.094 0.097 0.000 1.047 11 V CA 1.581 63.924 62.300 0.071 0.000 1.035 11 V CB -0.573 31.291 31.823 0.068 0.000 0.658 11 V HN 0.316 nan 8.190 nan 0.000 0.452 12 F N 1.769 121.718 119.950 -0.001 0.000 2.095 12 F HA -0.176 4.350 4.527 -0.001 0.000 0.298 12 F C 2.301 178.098 175.800 -0.004 0.000 1.104 12 F CA 1.538 59.537 58.000 -0.002 0.000 1.232 12 F CB -0.678 38.320 39.000 -0.004 0.000 0.987 12 F HN 0.074 nan 8.300 nan 0.000 0.475 13 A N 0.544 123.325 122.820 -0.066 0.000 1.908 13 A HA -0.120 4.219 4.320 0.033 0.000 0.218 13 A C 2.439 179.922 177.584 -0.169 0.000 1.181 13 A CA 2.122 54.064 52.037 -0.160 0.000 0.627 13 A CB -1.657 17.336 19.000 -0.011 0.000 0.818 13 A HN 0.554 nan 8.150 nan 0.000 0.445 14 A N -0.306 122.460 122.820 -0.091 0.000 1.933 14 A HA -0.067 4.272 4.320 0.033 0.000 0.218 14 A C 2.136 179.662 177.584 -0.097 0.000 1.175 14 A CA 1.540 53.535 52.037 -0.070 0.000 0.628 14 A CB -0.564 18.418 19.000 -0.030 0.000 0.814 14 A HN 0.513 nan 8.150 nan 0.000 0.444 15 I N -0.734 119.759 120.570 -0.127 0.000 2.202 15 I HA -0.182 4.008 4.170 0.033 0.000 0.242 15 I C 2.540 178.542 176.117 -0.191 0.000 1.091 15 I CA 1.136 62.360 61.300 -0.127 0.000 1.368 15 I CB -0.334 37.613 38.000 -0.089 0.000 1.058 15 I HN 0.272 nan 8.210 nan 0.000 0.410 16 E N 0.717 120.700 120.200 -0.361 0.000 2.085 16 E HA -0.265 4.104 4.350 0.033 0.000 0.194 16 E C 2.164 178.647 176.600 -0.196 0.000 0.994 16 E CA 1.376 57.564 56.400 -0.354 0.000 0.801 16 E CB -0.279 29.068 29.700 -0.587 0.000 0.743 16 E HN 0.561 nan 8.360 nan 0.000 0.453 17 Q N 0.244 119.945 119.800 -0.166 0.000 2.077 17 Q HA -0.240 4.119 4.340 0.033 0.000 0.206 17 Q C 2.175 178.138 176.000 -0.061 0.000 0.989 17 Q CA 1.963 57.710 55.803 -0.092 0.000 0.853 17 Q CB -0.167 28.528 28.738 -0.072 0.000 0.907 17 Q HN 0.109 nan 8.270 nan 0.000 0.418 18 E N 0.789 120.953 120.200 -0.060 0.000 2.072 18 E HA -0.181 4.188 4.350 0.033 0.000 0.191 18 E C 1.825 178.415 176.600 -0.017 0.000 0.985 18 E CA 1.212 57.596 56.400 -0.027 0.000 0.801 18 E CB -0.077 29.611 29.700 -0.021 0.000 0.750 18 E HN 0.147 nan 8.360 nan 0.000 0.452 19 R N 0.239 120.712 120.500 -0.046 0.000 2.096 19 R HA -0.126 4.234 4.340 0.033 0.000 0.235 19 R C 1.993 178.275 176.300 -0.031 0.000 1.127 19 R CA 1.676 57.751 56.100 -0.041 0.000 0.968 19 R CB -0.029 30.227 30.300 -0.074 0.000 0.861 19 R HN 0.103 nan 8.270 nan 0.000 0.440 20 K N -0.310 120.070 120.400 -0.035 0.000 2.103 20 K HA -0.103 4.237 4.320 0.033 0.000 0.204 20 K C 2.235 178.855 176.600 0.034 0.000 1.052 20 K CA 0.900 57.184 56.287 -0.004 0.000 0.945 20 K CB -0.167 32.320 32.500 -0.021 0.000 0.722 20 K HN 0.085 nan 8.250 nan 0.000 0.443 21 R N 1.527 122.039 120.500 0.019 0.000 2.096 21 R HA -0.162 4.198 4.340 0.033 0.000 0.235 21 R C 1.919 178.249 176.300 0.051 0.000 1.127 21 R CA 1.567 57.686 56.100 0.031 0.000 0.968 21 R CB 0.016 30.329 30.300 0.022 0.000 0.861 21 R HN 0.304 nan 8.270 nan 0.000 0.440 22 Q N -1.555 118.281 119.800 0.061 0.000 2.291 22 Q HA -0.186 4.174 4.340 0.033 0.000 0.205 22 Q C 1.487 177.470 176.000 -0.028 0.000 0.970 22 Q CA 1.390 57.246 55.803 0.087 0.000 0.876 22 Q CB 0.015 28.828 28.738 0.124 0.000 0.935 22 Q HN 0.485 nan 8.270 nan 0.000 0.455 23 H N -0.751 118.253 119.070 -0.110 0.000 2.486 23 H HA 0.214 4.789 4.556 0.032 0.000 0.287 23 H C 1.625 176.926 175.328 -0.045 0.000 1.010 23 H CA 1.025 56.999 56.048 -0.124 0.000 1.324 23 H CB 0.327 30.025 29.762 -0.107 0.000 1.446 23 H HN 0.186 nan 8.280 nan 0.000 0.537 24 A N 0.392 123.225 122.820 0.022 0.000 2.030 24 A HA 0.126 4.466 4.320 0.033 0.000 0.215 24 A C 0.889 178.471 177.584 -0.003 0.000 1.164 24 A CA 0.254 52.294 52.037 0.005 0.000 0.697 24 A CB 0.153 19.175 19.000 0.038 0.000 0.827 24 A HN 0.080 nan 8.150 nan 0.000 0.457 25 K N -0.491 119.913 120.400 0.006 0.000 2.132 25 K HA 0.581 4.921 4.320 0.033 0.000 0.241 25 K C -0.898 175.708 176.600 0.009 0.000 1.000 25 K CA -0.433 55.865 56.287 0.019 0.000 0.911 25 K CB 1.003 33.523 32.500 0.033 0.000 1.093 25 K HN 0.175 nan 8.250 nan 0.000 0.460 26 I N 2.424 123.004 120.570 0.017 0.000 2.337 26 I HA 0.069 4.258 4.170 0.033 0.000 0.285 26 I C 0.076 176.193 176.117 -0.000 0.000 1.041 26 I CA -0.508 60.786 61.300 -0.010 0.000 1.199 26 I CB 0.949 38.965 38.000 0.028 0.000 1.370 26 I HN 0.138 nan 8.210 nan 0.000 0.470 27 E N 7.386 127.602 120.200 0.028 0.000 2.166 27 E HA 0.176 4.546 4.350 0.033 0.000 0.279 27 E C 0.334 176.905 176.600 -0.048 0.000 1.095 27 E CA 0.164 56.569 56.400 0.009 0.000 0.888 27 E CB 1.243 30.957 29.700 0.023 0.000 1.041 27 E HN 0.608 nan 8.360 nan 0.000 0.414 28 L N 3.612 124.812 121.223 -0.038 0.000 3.069 28 L HA 0.324 4.683 4.340 0.033 0.000 0.271 28 L C 0.556 177.408 176.870 -0.030 0.000 1.201 28 L CA -0.197 54.621 54.840 -0.037 0.000 1.015 28 L CB 0.306 42.346 42.059 -0.033 0.000 1.371 28 L HN 0.361 nan 8.230 nan 0.000 0.574 29 I N 1.006 121.558 120.570 -0.030 0.000 2.587 29 I HA -0.022 4.167 4.170 0.033 0.000 0.284 29 I C 1.658 177.789 176.117 0.022 0.000 1.134 29 I CA 0.009 61.305 61.300 -0.005 0.000 1.410 29 I CB 1.475 39.470 38.000 -0.008 0.000 1.392 29 I HN 0.172 nan 8.210 nan 0.000 0.545 30 A N 4.710 127.572 122.820 0.070 0.000 1.978 30 A HA -0.173 4.166 4.320 0.033 0.000 0.220 30 A C 2.174 179.908 177.584 0.249 0.000 1.170 30 A CA 2.042 54.171 52.037 0.153 0.000 0.636 30 A CB -0.476 18.600 19.000 0.126 0.000 0.810 30 A HN 0.806 nan 8.150 nan 0.000 0.448 31 S N -0.795 115.014 115.700 0.182 0.000 2.593 31 S HA 0.163 4.653 4.470 0.033 0.000 0.217 31 S C 0.377 174.984 174.600 0.012 0.000 0.966 31 S CA -0.243 57.977 58.200 0.032 0.000 0.914 31 S CB 0.009 63.220 63.200 0.018 0.000 0.776 31 S HN 0.614 nan 8.310 nan 0.000 0.523 32 E N 1.394 121.589 120.200 -0.008 0.000 2.222 32 E HA 0.508 4.878 4.350 0.033 0.000 0.272 32 E C -0.735 175.764 176.600 -0.169 0.000 0.982 32 E CA -0.685 55.660 56.400 -0.091 0.000 0.842 32 E CB 0.859 30.471 29.700 -0.147 0.000 1.144 32 E HN 0.159 nan 8.360 nan 0.000 0.397 33 N N 0.796 119.348 118.700 -0.247 0.000 2.825 33 N HA 0.325 5.085 4.740 0.033 0.000 0.253 33 N C -1.867 173.401 175.510 -0.403 0.000 1.426 33 N CA -0.563 52.312 53.050 -0.291 0.000 0.851 33 N CB 1.082 39.548 38.487 -0.035 0.000 1.470 33 N HN 0.191 nan 8.380 nan 0.000 0.517 34 F N 1.130 121.097 119.950 0.028 0.000 2.388 34 F HA 0.344 4.889 4.527 0.030 0.000 0.358 34 F C 0.822 176.622 175.800 -0.001 0.000 1.122 34 F CA -0.841 57.164 58.000 0.008 0.000 1.056 34 F CB 1.016 40.016 39.000 -0.001 0.000 1.155 34 F HN 0.096 nan 8.300 nan 0.000 0.461 35 V N 0.542 120.558 119.914 0.170 0.000 2.953 35 V HA 0.610 4.749 4.120 0.033 0.000 0.304 35 V C 0.424 176.560 176.094 0.070 0.000 1.073 35 V CA -0.985 61.367 62.300 0.088 0.000 1.064 35 V CB 1.059 32.914 31.823 0.053 0.000 1.047 35 V HN 0.828 nan 8.190 nan 0.000 0.478 36 S N 3.318 119.039 115.700 0.034 0.000 2.584 36 S HA 0.243 4.732 4.470 0.033 0.000 0.270 36 S C 0.894 175.502 174.600 0.015 0.000 1.346 36 S CA -0.082 58.129 58.200 0.019 0.000 1.018 36 S CB 0.407 63.610 63.200 0.005 0.000 0.899 36 S HN 0.787 nan 8.310 nan 0.000 0.542 37 R N 1.150 121.655 120.500 0.009 0.000 2.189 37 R HA 0.013 4.373 4.340 0.033 0.000 0.218 37 R C 2.375 178.676 176.300 0.001 0.000 1.074 37 R CA 0.991 57.095 56.100 0.005 0.000 0.991 37 R CB -0.763 29.537 30.300 0.001 0.000 0.883 37 R HN 0.798 nan 8.270 nan 0.000 0.457 38 A N 0.870 123.688 122.820 -0.003 0.000 1.929 38 A HA -0.055 4.285 4.320 0.033 0.000 0.216 38 A C 2.285 179.860 177.584 -0.015 0.000 1.176 38 A CA 0.905 52.937 52.037 -0.010 0.000 0.628 38 A CB -0.262 18.730 19.000 -0.013 0.000 0.816 38 A HN 0.089 nan 8.150 nan 0.000 0.444 39 V N 0.007 119.910 119.914 -0.018 0.000 2.427 39 V HA -0.286 3.854 4.120 0.033 0.000 0.248 39 V C 2.599 178.686 176.094 -0.011 0.000 1.051 39 V CA 2.157 64.440 62.300 -0.027 0.000 1.048 39 V CB -0.632 31.172 31.823 -0.031 0.000 0.666 39 V HN 0.574 nan 8.190 nan 0.000 0.456 40 M N -0.894 118.707 119.600 0.002 0.000 2.200 40 M HA -0.144 4.355 4.480 0.033 0.000 0.265 40 M C 2.153 178.460 176.300 0.012 0.000 1.066 40 M CA 1.621 56.928 55.300 0.012 0.000 1.127 40 M CB -0.453 32.158 32.600 0.017 0.000 1.379 40 M HN 0.341 nan 8.290 nan 0.000 0.420 41 E N 0.601 120.804 120.200 0.006 0.000 2.153 41 E HA -0.140 4.229 4.350 0.033 0.000 0.194 41 E C 2.082 178.684 176.600 0.004 0.000 0.988 41 E CA 1.121 57.523 56.400 0.004 0.000 0.811 41 E CB -0.073 29.627 29.700 -0.000 0.000 0.746 41 E HN 0.488 nan 8.360 nan 0.000 0.466 42 A N 1.724 124.546 122.820 0.003 0.000 1.873 42 A HA -0.246 4.093 4.320 0.033 0.000 0.215 42 A C 2.130 179.742 177.584 0.046 0.000 1.186 42 A CA 1.586 53.627 52.037 0.008 0.000 0.616 42 A CB -0.496 18.495 19.000 -0.015 0.000 0.823 42 A HN 0.314 nan 8.150 nan 0.000 0.442 43 Q N -1.010 118.827 119.800 0.061 0.000 2.311 43 Q HA 0.074 4.433 4.340 0.033 0.000 0.203 43 Q C 1.484 177.537 176.000 0.089 0.000 0.954 43 Q CA 0.912 56.813 55.803 0.164 0.000 0.885 43 Q CB -0.478 28.356 28.738 0.160 0.000 0.963 43 Q HN 0.448 nan 8.270 nan 0.000 0.471 44 G N 1.584 110.398 108.800 0.023 0.000 3.210 44 G HA2 0.047 4.027 3.960 0.033 0.000 0.220 44 G HA3 0.047 4.027 3.960 0.033 0.000 0.220 44 G C 0.294 175.167 174.900 -0.045 0.000 1.200 44 G CA 0.215 45.303 45.100 -0.021 0.000 0.834 44 G HN 0.398 nan 8.290 nan 0.000 0.524 45 S N -1.005 114.669 115.700 -0.043 0.000 2.738 45 S HA 0.338 4.828 4.470 0.033 0.000 0.284 45 S C 1.553 176.100 174.600 -0.090 0.000 1.146 45 S CA 0.061 58.233 58.200 -0.046 0.000 0.997 45 S CB 1.409 64.602 63.200 -0.013 0.000 1.081 45 S HN 0.464 nan 8.310 nan 0.000 0.553 46 V N -1.116 118.757 119.914 -0.068 0.000 3.141 46 V HA 0.064 4.203 4.120 0.033 0.000 0.265 46 V C 1.774 177.825 176.094 -0.071 0.000 1.126 46 V CA 0.845 63.098 62.300 -0.078 0.000 1.141 46 V CB -1.426 30.364 31.823 -0.055 0.000 0.743 46 V HN 0.666 nan 8.190 nan 0.000 0.492 47 L N 1.006 122.208 121.223 -0.035 0.000 2.450 47 L HA -0.084 4.276 4.340 0.033 0.000 0.224 47 L C 2.678 179.561 176.870 0.021 0.000 1.149 47 L CA 2.176 57.024 54.840 0.012 0.000 0.816 47 L CB -1.269 40.828 42.059 0.064 0.000 0.932 47 L HN 0.493 nan 8.230 nan 0.000 0.449 48 T N -0.946 113.530 114.554 -0.129 0.000 2.915 48 T HA -0.122 4.247 4.350 0.033 0.000 0.269 48 T C 1.745 176.347 174.700 -0.164 0.000 1.071 48 T CA 1.191 63.147 62.100 -0.240 0.000 1.132 48 T CB -0.189 68.313 68.868 -0.610 0.000 0.878 48 T HN 0.362 nan 8.240 nan 0.000 0.479 49 N N 0.880 119.502 118.700 -0.131 0.000 2.459 49 N HA 0.018 4.777 4.740 0.033 0.000 0.181 49 N C 0.561 176.010 175.510 -0.103 0.000 1.046 49 N CA 0.568 53.555 53.050 -0.105 0.000 0.904 49 N CB -0.047 38.397 38.487 -0.072 0.000 0.964 49 N HN 0.312 nan 8.380 nan 0.000 0.444 50 K N 0.370 120.702 120.400 -0.113 0.000 2.211 50 K HA 0.169 4.509 4.320 0.033 0.000 0.275 50 K C -1.363 175.096 176.600 -0.234 0.000 1.024 50 K CA -0.410 55.809 56.287 -0.114 0.000 0.887 50 K CB 0.213 32.680 32.500 -0.055 0.000 1.084 50 K HN -0.138 nan 8.250 nan 0.000 0.463 51 Y N 2.274 122.376 120.300 -0.329 0.000 2.383 51 Y HA 0.405 4.975 4.550 0.034 0.000 0.344 51 Y C 0.279 175.836 175.900 -0.572 0.000 0.986 51 Y CA -0.158 57.580 58.100 -0.603 0.000 1.175 51 Y CB 1.490 39.265 38.460 -1.141 0.000 1.152 51 Y HN 0.702 nan 8.280 nan 0.000 0.511 52 A N 4.254 126.984 122.820 -0.149 0.000 2.956 52 A HA 0.281 4.620 4.320 0.033 0.000 0.294 52 A C -0.114 177.449 177.584 -0.034 0.000 0.993 52 A CA -0.591 51.432 52.037 -0.025 0.000 1.032 52 A CB -0.317 18.649 19.000 -0.056 0.000 1.129 52 A HN 0.756 nan 8.150 nan 0.000 0.505 53 E N 0.351 120.607 120.200 0.094 0.000 2.414 53 E HA 0.384 4.753 4.350 0.033 0.000 0.263 53 E C 1.006 177.518 176.600 -0.147 0.000 1.000 53 E CA 1.321 57.560 56.400 -0.268 0.000 0.914 53 E CB 0.615 30.197 29.700 -0.196 0.000 0.948 53 E HN 0.950 nan 8.360 nan 0.000 0.444 54 G N 2.010 110.548 108.800 -0.437 0.000 2.418 54 G HA2 -0.200 3.780 3.960 0.033 0.000 0.206 54 G HA3 -0.200 3.780 3.960 0.033 0.000 0.206 54 G C -1.504 173.103 174.900 -0.488 0.000 1.202 54 G CA -0.725 44.308 45.100 -0.111 0.000 1.061 54 G HN 0.463 nan 8.290 nan 0.000 0.563 55 Y N -0.233 120.104 120.300 0.063 0.000 2.615 55 Y HA 0.578 5.148 4.550 0.033 0.000 0.341 55 Y C -2.148 173.768 175.900 0.027 0.000 1.089 55 Y CA -1.772 56.360 58.100 0.054 0.000 1.049 55 Y CB 2.128 40.640 38.460 0.086 0.000 1.296 55 Y HN 0.422 nan 8.280 nan 0.000 0.470 56 P HA 0.004 nan 4.420 nan 0.000 0.255 56 P C 0.655 178.000 177.300 0.075 0.000 1.161 56 P CA 2.418 65.578 63.100 0.100 0.000 0.768 56 P CB -0.044 31.714 31.700 0.097 0.000 0.746 57 G N 3.415 112.237 108.800 0.035 0.000 2.205 57 G HA2 -0.266 3.713 3.960 0.033 0.000 0.261 57 G HA3 -0.266 3.713 3.960 0.033 0.000 0.261 57 G C 0.479 175.379 174.900 -0.000 0.000 0.980 57 G CA -0.356 44.752 45.100 0.013 0.000 0.632 57 G HN 0.561 nan 8.290 nan 0.000 0.533 58 R N 0.282 120.789 120.500 0.012 0.000 2.795 58 R HA 0.276 4.636 4.340 0.033 0.000 0.320 58 R C 0.262 176.494 176.300 -0.113 0.000 1.223 58 R CA -0.535 55.545 56.100 -0.033 0.000 1.305 58 R CB 0.540 30.866 30.300 0.044 0.000 1.318 58 R HN 0.214 nan 8.270 nan 0.000 0.636 59 R N -0.028 120.398 120.500 -0.123 0.000 2.549 59 R HA 0.272 4.632 4.340 0.033 0.000 0.267 59 R C 0.436 176.579 176.300 -0.261 0.000 1.045 59 R CA -0.457 55.580 56.100 -0.105 0.000 1.115 59 R CB 0.537 30.854 30.300 0.029 0.000 1.121 59 R HN 0.189 nan 8.270 nan 0.000 0.543 60 Y N -0.498 119.796 120.300 -0.009 0.000 2.524 60 Y HA 0.245 4.814 4.550 0.032 0.000 0.266 60 Y C -0.372 175.220 175.900 -0.512 0.000 1.180 60 Y CA -0.021 57.945 58.100 -0.223 0.000 1.244 60 Y CB 0.298 38.599 38.460 -0.265 0.000 1.125 60 Y HN 0.403 nan 8.280 nan 0.000 0.524 61 Y N -1.236 119.111 120.300 0.079 0.000 2.581 61 Y HA 0.646 5.216 4.550 0.034 0.000 0.345 61 Y C 0.709 176.617 175.900 0.014 0.000 1.036 61 Y CA -1.888 56.241 58.100 0.049 0.000 1.042 61 Y CB 1.112 39.609 38.460 0.063 0.000 1.289 61 Y HN -0.110 nan 8.280 nan 0.000 0.471 62 G N -0.530 108.374 108.800 0.173 0.000 2.528 62 G HA2 0.432 4.412 3.960 0.033 0.000 0.289 62 G HA3 0.432 4.412 3.960 0.033 0.000 0.289 62 G C 0.721 175.667 174.900 0.077 0.000 1.192 62 G CA -0.239 44.911 45.100 0.085 0.000 0.921 62 G HN 1.439 nan 8.290 nan 0.000 0.512 63 G N -1.879 106.931 108.800 0.018 0.000 2.162 63 G HA2 -0.306 3.674 3.960 0.033 0.000 0.260 63 G HA3 -0.306 3.674 3.960 0.033 0.000 0.260 63 G C 1.025 175.908 174.900 -0.028 0.000 0.976 63 G CA 0.602 45.699 45.100 -0.006 0.000 0.655 63 G HN 0.930 nan 8.290 nan 0.000 0.533 64 C N 0.943 120.227 119.300 -0.026 0.000 2.613 64 C HA 0.275 4.755 4.460 0.033 0.000 0.273 64 C C 2.314 177.248 174.990 -0.093 0.000 1.304 64 C CA 0.698 59.701 59.018 -0.025 0.000 1.702 64 C CB -1.050 26.699 27.740 0.016 0.000 1.792 64 C HN 0.744 nan 8.230 nan 0.000 0.588 65 E N 0.536 120.598 120.200 -0.229 0.000 2.147 65 E HA -0.263 4.106 4.350 0.033 0.000 0.199 65 E C 1.023 177.402 176.600 -0.369 0.000 1.005 65 E CA 1.884 58.042 56.400 -0.403 0.000 0.810 65 E CB -0.238 29.016 29.700 -0.743 0.000 0.736 65 E HN 0.822 nan 8.360 nan 0.000 0.460 66 Y N -0.486 119.820 120.300 0.011 0.000 2.524 66 Y HA 0.039 4.609 4.550 0.033 0.000 0.270 66 Y C 2.323 178.227 175.900 0.005 0.000 1.094 66 Y CA 0.116 58.220 58.100 0.007 0.000 1.276 66 Y CB 0.282 38.745 38.460 0.003 0.000 1.130 66 Y HN -0.005 nan 8.280 nan 0.000 0.536 67 V N -2.484 117.500 119.914 0.117 0.000 2.809 67 V HA -0.144 3.996 4.120 0.033 0.000 0.256 67 V C 1.189 177.311 176.094 0.046 0.000 1.080 67 V CA 1.703 64.043 62.300 0.065 0.000 1.102 67 V CB -0.387 31.455 31.823 0.031 0.000 0.705 67 V HN 0.149 nan 8.190 nan 0.000 0.475 68 D N 1.086 121.508 120.400 0.037 0.000 2.144 68 D HA -0.041 4.619 4.640 0.033 0.000 0.200 68 D C 2.021 178.352 176.300 0.050 0.000 0.978 68 D CA 1.692 55.713 54.000 0.036 0.000 0.833 68 D CB -0.208 40.601 40.800 0.016 0.000 0.961 68 D HN 0.521 nan 8.370 nan 0.000 0.470 69 I N -0.017 120.592 120.570 0.065 0.000 2.163 69 I HA -0.221 3.969 4.170 0.033 0.000 0.240 69 I C 2.409 178.561 176.117 0.059 0.000 1.081 69 I CA 0.542 61.884 61.300 0.069 0.000 1.353 69 I CB -0.319 37.740 38.000 0.098 0.000 1.054 69 I HN -0.114 nan 8.210 nan 0.000 0.407 70 V N 0.827 120.776 119.914 0.058 0.000 2.282 70 V HA -0.360 3.780 4.120 0.033 0.000 0.249 70 V C 2.526 178.644 176.094 0.041 0.000 1.057 70 V CA 2.328 64.652 62.300 0.041 0.000 1.032 70 V CB -0.584 31.259 31.823 0.033 0.000 0.645 70 V HN 0.485 nan 8.190 nan 0.000 0.447 71 E N -0.832 119.395 120.200 0.046 0.000 2.107 71 E HA -0.197 4.173 4.350 0.033 0.000 0.191 71 E C 2.277 178.919 176.600 0.069 0.000 0.982 71 E CA 0.843 57.277 56.400 0.057 0.000 0.809 71 E CB 0.044 29.780 29.700 0.060 0.000 0.756 71 E HN 0.547 nan 8.360 nan 0.000 0.459 72 E N 0.453 120.690 120.200 0.062 0.000 2.072 72 E HA -0.171 4.198 4.350 0.033 0.000 0.191 72 E C 2.123 178.755 176.600 0.053 0.000 0.985 72 E CA 0.479 56.912 56.400 0.054 0.000 0.801 72 E CB -0.127 29.601 29.700 0.048 0.000 0.750 72 E HN 0.245 nan 8.360 nan 0.000 0.452 73 L N 0.850 122.106 121.223 0.055 0.000 2.013 73 L HA -0.179 4.181 4.340 0.033 0.000 0.212 73 L C 2.408 179.336 176.870 0.097 0.000 1.073 73 L CA 1.866 56.741 54.840 0.059 0.000 0.753 73 L CB -1.710 40.378 42.059 0.047 0.000 0.890 73 L HN 0.030 nan 8.230 nan 0.000 0.432 74 A N -0.553 122.338 122.820 0.119 0.000 1.877 74 A HA -0.214 4.126 4.320 0.033 0.000 0.216 74 A C 2.439 180.145 177.584 0.204 0.000 1.186 74 A CA 1.490 53.666 52.037 0.232 0.000 0.620 74 A CB -0.408 18.702 19.000 0.182 0.000 0.822 74 A HN 0.370 nan 8.150 nan 0.000 0.443 75 R N -0.625 119.932 120.500 0.095 0.000 2.073 75 R HA -0.098 4.261 4.340 0.033 0.000 0.234 75 R C 2.026 178.314 176.300 -0.019 0.000 1.134 75 R CA 1.359 57.466 56.100 0.012 0.000 0.952 75 R CB -0.379 29.911 30.300 -0.016 0.000 0.850 75 R HN 0.482 nan 8.270 nan 0.000 0.433 76 E N 0.778 120.981 120.200 0.006 0.000 2.072 76 E HA -0.125 4.244 4.350 0.033 0.000 0.191 76 E C 2.041 178.627 176.600 -0.022 0.000 0.985 76 E CA 1.050 57.445 56.400 -0.008 0.000 0.801 76 E CB -0.158 29.545 29.700 0.006 0.000 0.750 76 E HN 0.301 nan 8.360 nan 0.000 0.452 77 R N 0.595 121.098 120.500 0.005 0.000 2.120 77 R HA -0.020 4.339 4.340 0.033 0.000 0.234 77 R C 2.300 178.512 176.300 -0.146 0.000 1.123 77 R CA 1.134 57.225 56.100 -0.015 0.000 0.975 77 R CB -0.276 30.082 30.300 0.098 0.000 0.866 77 R HN 0.111 nan 8.270 nan 0.000 0.446 78 A N 1.482 124.172 122.820 -0.218 0.000 1.873 78 A HA -0.179 4.160 4.320 0.033 0.000 0.215 78 A C 1.888 179.397 177.584 -0.124 0.000 1.186 78 A CA 1.356 53.175 52.037 -0.363 0.000 0.616 78 A CB -0.217 18.549 19.000 -0.390 0.000 0.823 78 A HN 0.163 nan 8.150 nan 0.000 0.442 79 K N -0.678 119.670 120.400 -0.087 0.000 2.147 79 K HA -0.163 4.177 4.320 0.033 0.000 0.205 79 K C 2.331 178.899 176.600 -0.054 0.000 1.049 79 K CA 1.506 57.767 56.287 -0.042 0.000 0.936 79 K CB -0.122 32.354 32.500 -0.040 0.000 0.722 79 K HN 0.650 nan 8.250 nan 0.000 0.446 80 Q N 0.393 120.141 119.800 -0.088 0.000 2.119 80 Q HA -0.125 4.235 4.340 0.033 0.000 0.201 80 Q C 1.938 177.837 176.000 -0.168 0.000 0.972 80 Q CA 0.909 56.652 55.803 -0.099 0.000 0.847 80 Q CB 0.116 28.803 28.738 -0.084 0.000 0.903 80 Q HN 0.163 nan 8.270 nan 0.000 0.433 81 L N -0.837 120.210 121.223 -0.293 0.000 2.156 81 L HA -0.027 4.332 4.340 0.033 0.000 0.208 81 L C 0.943 177.389 176.870 -0.707 0.000 1.095 81 L CA 1.643 56.135 54.840 -0.580 0.000 0.770 81 L CB 0.025 41.547 42.059 -0.897 0.000 0.914 81 L HN 0.216 nan 8.230 nan 0.000 0.439 82 F N -1.669 118.211 119.950 -0.118 0.000 2.784 82 F HA 0.430 4.976 4.527 0.032 0.000 0.323 82 F C 1.755 177.510 175.800 -0.076 0.000 1.085 82 F CA 0.275 58.218 58.000 -0.094 0.000 1.196 82 F CB -0.015 38.911 39.000 -0.124 0.000 1.053 82 F HN 0.003 nan 8.300 nan 0.000 0.578 83 G N 0.995 109.828 108.800 0.055 0.000 2.159 83 G HA2 -0.155 3.825 3.960 0.033 0.000 0.256 83 G HA3 -0.155 3.825 3.960 0.033 0.000 0.256 83 G C 0.434 175.344 174.900 0.018 0.000 0.977 83 G CA -0.035 45.076 45.100 0.018 0.000 0.652 83 G HN 0.644 nan 8.290 nan 0.000 0.531 84 A N -0.162 122.681 122.820 0.039 0.000 2.407 84 A HA 0.644 4.983 4.320 0.033 0.000 0.248 84 A C 1.169 178.764 177.584 0.019 0.000 1.082 84 A CA 0.929 52.978 52.037 0.020 0.000 0.785 84 A CB 0.309 19.319 19.000 0.016 0.000 1.020 84 A HN 0.466 nan 8.150 nan 0.000 0.489 85 E N -0.486 119.733 120.200 0.031 0.000 2.152 85 E HA -0.061 4.308 4.350 0.033 0.000 0.192 85 E C 0.107 176.767 176.600 0.099 0.000 0.983 85 E CA 1.207 57.634 56.400 0.045 0.000 0.818 85 E CB 0.044 29.764 29.700 0.032 0.000 0.758 85 E HN 0.796 nan 8.360 nan 0.000 0.467 86 H N -1.127 117.943 119.070 -0.001 0.000 2.961 86 H HA 0.580 5.156 4.556 0.033 0.000 0.371 86 H C -1.779 173.554 175.328 0.009 0.000 1.190 86 H CA -0.567 55.483 56.048 0.003 0.000 1.138 86 H CB 1.815 31.583 29.762 0.010 0.000 1.816 86 H HN -0.010 nan 8.280 nan 0.000 0.551 87 A N 3.792 126.205 122.820 -0.680 0.000 2.422 87 A HA 0.427 4.767 4.320 0.033 0.000 0.302 87 A C -1.354 175.970 177.584 -0.434 0.000 1.041 87 A CA -0.867 50.938 52.037 -0.386 0.000 0.708 87 A CB 1.432 20.308 19.000 -0.206 0.000 1.257 87 A HN 0.716 nan 8.150 nan 0.000 0.414 88 N N 1.783 120.410 118.700 -0.121 0.000 2.399 88 N HA 0.385 5.145 4.740 0.033 0.000 0.280 88 N C 0.031 175.576 175.510 0.060 0.000 1.008 88 N CA -0.107 52.962 53.050 0.031 0.000 0.894 88 N CB 2.005 40.580 38.487 0.148 0.000 1.273 88 N HN 0.776 nan 8.380 nan 0.000 0.486 89 V N 1.097 121.067 119.914 0.093 0.000 3.427 89 V HA 0.258 4.397 4.120 0.033 0.000 0.305 89 V C 1.267 177.394 176.094 0.055 0.000 1.412 89 V CA 0.181 62.542 62.300 0.102 0.000 1.086 89 V CB 0.149 32.066 31.823 0.156 0.000 0.964 89 V HN 0.534 nan 8.190 nan 0.000 0.439 90 Q N 0.644 120.467 119.800 0.037 0.000 2.354 90 Q HA 0.173 4.532 4.340 0.033 0.000 0.203 90 Q C -1.577 174.318 176.000 -0.174 0.000 0.933 90 Q CA -0.377 55.391 55.803 -0.059 0.000 0.901 90 Q CB -0.771 27.928 28.738 -0.065 0.000 1.007 90 Q HN 0.537 nan 8.270 nan 0.000 0.495 91 P HA -0.126 nan 4.420 nan 0.000 0.260 91 P C -0.144 177.078 177.300 -0.131 0.000 1.172 91 P CA 0.725 63.729 63.100 -0.160 0.000 0.760 91 P CB 0.355 32.024 31.700 -0.052 0.000 0.773 92 H N 0.131 119.196 119.070 -0.007 0.000 2.491 92 H HA 0.088 4.664 4.556 0.034 0.000 0.290 92 H C 0.510 175.841 175.328 0.004 0.000 1.050 92 H CA 0.983 57.020 56.048 -0.019 0.000 1.309 92 H CB 0.331 30.076 29.762 -0.028 0.000 1.392 92 H HN 0.311 nan 8.280 nan 0.000 0.554 93 S N -2.299 113.470 115.700 0.115 0.000 2.643 93 S HA 0.405 4.895 4.470 0.033 0.000 0.270 93 S C 1.369 176.011 174.600 0.069 0.000 1.166 93 S CA -0.242 58.026 58.200 0.112 0.000 0.815 93 S CB 1.691 64.958 63.200 0.112 0.000 1.139 93 S HN 0.281 nan 8.310 nan 0.000 0.472 94 G N 0.993 109.832 108.800 0.065 0.000 2.404 94 G HA2 -0.000 3.979 3.960 0.033 0.000 0.215 94 G HA3 -0.000 3.979 3.960 0.033 0.000 0.215 94 G C 1.494 176.411 174.900 0.029 0.000 1.174 94 G CA 1.098 46.194 45.100 -0.008 0.000 0.780 94 G HN 0.855 nan 8.290 nan 0.000 0.537 95 A N 0.274 123.155 122.820 0.101 0.000 1.892 95 A HA -0.182 4.158 4.320 0.033 0.000 0.218 95 A C 2.376 180.047 177.584 0.146 0.000 1.188 95 A CA 2.358 54.517 52.037 0.204 0.000 0.631 95 A CB -0.468 18.677 19.000 0.242 0.000 0.822 95 A HN 0.354 nan 8.150 nan 0.000 0.447 96 Q N -0.698 119.140 119.800 0.063 0.000 2.167 96 Q HA 0.118 4.477 4.340 0.033 0.000 0.202 96 Q C 2.293 178.277 176.000 -0.026 0.000 0.970 96 Q CA 1.549 57.350 55.803 -0.005 0.000 0.855 96 Q CB -0.647 28.090 28.738 -0.003 0.000 0.911 96 Q HN 0.658 nan 8.270 nan 0.000 0.438 97 A N 0.795 123.603 122.820 -0.019 0.000 1.858 97 A HA -0.218 4.122 4.320 0.033 0.000 0.216 97 A C 1.827 179.355 177.584 -0.094 0.000 1.190 97 A CA 1.709 53.718 52.037 -0.047 0.000 0.617 97 A CB -0.661 18.313 19.000 -0.043 0.000 0.827 97 A HN 0.342 nan 8.150 nan 0.000 0.443 98 N N -0.536 118.105 118.700 -0.099 0.000 2.104 98 N HA -0.185 4.575 4.740 0.033 0.000 0.190 98 N C 1.716 177.002 175.510 -0.372 0.000 1.024 98 N CA 1.783 54.663 53.050 -0.284 0.000 0.853 98 N CB -0.538 37.869 38.487 -0.133 0.000 1.008 98 N HN 0.640 nan 8.380 nan 0.000 0.424 99 M N 0.581 120.211 119.600 0.051 0.000 2.108 99 M HA -0.170 4.329 4.480 0.033 0.000 0.261 99 M C 1.874 178.239 176.300 0.108 0.000 1.066 99 M CA 1.764 57.181 55.300 0.195 0.000 1.107 99 M CB -0.038 32.483 32.600 -0.132 0.000 1.356 99 M HN 0.193 nan 8.290 nan 0.000 0.406 100 A N -0.555 122.258 122.820 -0.011 0.000 1.877 100 A HA -0.123 4.217 4.320 0.033 0.000 0.216 100 A C 2.032 179.619 177.584 0.006 0.000 1.186 100 A CA 1.949 53.997 52.037 0.018 0.000 0.620 100 A CB -1.134 17.858 19.000 -0.013 0.000 0.822 100 A HN 0.425 nan 8.150 nan 0.000 0.443 101 V N -1.049 118.761 119.914 -0.173 0.000 2.343 101 V HA -0.258 3.882 4.120 0.033 0.000 0.247 101 V C 2.436 178.367 176.094 -0.271 0.000 1.051 101 V CA 1.838 63.908 62.300 -0.382 0.000 1.036 101 V CB -1.128 30.387 31.823 -0.512 0.000 0.654 101 V HN 0.626 nan 8.190 nan 0.000 0.451 102 Y N -0.780 119.453 120.300 -0.112 0.000 2.165 102 Y HA -0.235 4.335 4.550 0.033 0.000 0.286 102 Y C 2.262 178.153 175.900 -0.014 0.000 1.155 102 Y CA 1.074 59.086 58.100 -0.148 0.000 1.164 102 Y CB -1.195 37.277 38.460 0.021 0.000 0.978 102 Y HN 0.302 nan 8.280 nan 0.000 0.513 103 F N 0.462 120.511 119.950 0.165 0.000 2.451 103 F HA -0.145 4.403 4.527 0.034 0.000 0.299 103 F C 1.943 177.750 175.800 0.012 0.000 1.101 103 F CA 1.479 59.559 58.000 0.134 0.000 1.436 103 F CB -0.168 38.893 39.000 0.101 0.000 1.074 103 F HN -0.050 nan 8.300 nan 0.000 0.553 104 T N -1.161 113.365 114.554 -0.046 0.000 2.939 104 T HA -0.013 4.356 4.350 0.033 0.000 0.254 104 T C 1.860 176.406 174.700 -0.257 0.000 1.041 104 T CA 1.445 63.444 62.100 -0.167 0.000 1.142 104 T CB -0.215 68.507 68.868 -0.243 0.000 0.874 104 T HN 0.180 nan 8.240 nan 0.000 0.452 105 V N -1.386 118.325 119.914 -0.337 0.000 3.635 105 V HA 0.489 4.629 4.120 0.033 0.000 0.266 105 V C 0.290 176.277 176.094 -0.178 0.000 1.316 105 V CA -0.200 61.894 62.300 -0.344 0.000 1.060 105 V CB -0.519 30.931 31.823 -0.622 0.000 0.820 105 V HN 0.225 nan 8.190 nan 0.000 0.447 106 L N 1.454 122.581 121.223 -0.161 0.000 2.322 106 L HA 0.632 4.991 4.340 0.033 0.000 0.281 106 L C -0.092 176.817 176.870 0.066 0.000 1.014 106 L CA -0.518 54.264 54.840 -0.095 0.000 0.815 106 L CB 1.716 43.556 42.059 -0.366 0.000 1.247 106 L HN 0.122 nan 8.230 nan 0.000 0.421 107 E N 0.058 120.310 120.200 0.087 0.000 2.369 107 E HA 0.151 4.521 4.350 0.033 0.000 0.255 107 E C -0.543 176.207 176.600 0.250 0.000 1.172 107 E CA -0.707 55.765 56.400 0.121 0.000 0.932 107 E CB 0.434 30.177 29.700 0.072 0.000 1.040 107 E HN 0.439 nan 8.360 nan 0.000 0.454 108 H N -0.087 119.033 119.070 0.084 0.000 3.034 108 H HA 0.169 4.744 4.556 0.032 0.000 0.324 108 H C 1.104 176.452 175.328 0.034 0.000 1.015 108 H CA 1.494 57.541 56.048 -0.001 0.000 1.429 108 H CB 0.155 29.895 29.762 -0.036 0.000 1.429 108 H HN 0.653 nan 8.280 nan 0.000 0.585 109 G N 3.700 112.183 108.800 -0.528 0.000 2.148 109 G HA2 -0.286 3.694 3.960 0.033 0.000 0.254 109 G HA3 -0.286 3.694 3.960 0.033 0.000 0.254 109 G C -0.091 174.766 174.900 -0.072 0.000 0.981 109 G CA 0.193 45.094 45.100 -0.332 0.000 0.670 109 G HN 0.745 nan 8.290 nan 0.000 0.528 110 D N 0.963 121.391 120.400 0.047 0.000 2.399 110 D HA 0.434 5.094 4.640 0.033 0.000 0.241 110 D C 0.931 177.176 176.300 -0.093 0.000 1.133 110 D CA 0.609 54.607 54.000 -0.002 0.000 0.890 110 D CB 0.701 41.500 40.800 -0.002 0.000 1.201 110 D HN 0.115 nan 8.370 nan 0.000 0.432 111 T N 1.224 115.711 114.554 -0.112 0.000 2.814 111 T HA 0.395 4.764 4.350 0.033 0.000 0.297 111 T C 0.058 174.588 174.700 -0.283 0.000 0.956 111 T CA -0.521 61.478 62.100 -0.168 0.000 1.123 111 T CB 0.556 69.381 68.868 -0.072 0.000 0.902 111 T HN 0.011 nan 8.240 nan 0.000 0.528 112 V N 4.305 123.912 119.914 -0.513 0.000 2.789 112 V HA 0.466 4.606 4.120 0.033 0.000 0.311 112 V C -0.301 175.510 176.094 -0.473 0.000 1.073 112 V CA -1.019 60.880 62.300 -0.668 0.000 0.921 112 V CB 2.234 33.215 31.823 -1.403 0.000 1.009 112 V HN 0.750 nan 8.190 nan 0.000 0.426 113 L N 3.356 124.492 121.223 -0.144 0.000 2.265 113 L HA 0.832 5.192 4.340 0.033 0.000 0.289 113 L C 0.479 177.533 176.870 0.306 0.000 1.033 113 L CA 0.107 55.013 54.840 0.110 0.000 0.814 113 L CB 1.133 43.296 42.059 0.172 0.000 1.203 113 L HN 0.904 nan 8.230 nan 0.000 0.423 114 G N 3.793 112.802 108.800 0.348 0.000 2.574 114 G HA2 0.430 4.410 3.960 0.033 0.000 0.299 114 G HA3 0.430 4.410 3.960 0.033 0.000 0.299 114 G C -1.158 173.523 174.900 -0.365 0.000 1.298 114 G CA -0.749 44.486 45.100 0.225 0.000 0.952 114 G HN 0.465 nan 8.290 nan 0.000 0.477 115 M N 2.233 121.454 119.600 -0.633 0.000 2.188 115 M HA 0.122 4.622 4.480 0.033 0.000 0.354 115 M C 0.683 176.720 176.300 -0.440 0.000 1.342 115 M CA -0.601 54.134 55.300 -0.942 0.000 1.117 115 M CB 0.309 32.577 32.600 -0.553 0.000 1.670 115 M HN 0.654 nan 8.290 nan 0.000 0.466 116 N N 4.159 122.579 118.700 -0.466 0.000 2.293 116 N HA -0.114 4.646 4.740 0.033 0.000 0.253 116 N C 0.771 176.160 175.510 -0.202 0.000 1.248 116 N CA -0.014 52.829 53.050 -0.345 0.000 0.845 116 N CB 0.641 38.791 38.487 -0.560 0.000 1.073 116 N HN 0.817 nan 8.380 nan 0.000 0.464 117 L N 4.053 125.177 121.223 -0.166 0.000 1.971 117 L HA -0.236 4.123 4.340 0.033 0.000 0.215 117 L C 2.396 179.234 176.870 -0.053 0.000 1.072 117 L CA 2.638 57.412 54.840 -0.110 0.000 0.758 117 L CB -1.658 40.322 42.059 -0.131 0.000 0.889 117 L HN 0.820 nan 8.230 nan 0.000 0.433 118 S N -1.984 113.694 115.700 -0.036 0.000 2.442 118 S HA -0.200 4.290 4.470 0.033 0.000 0.236 118 S C 1.751 176.386 174.600 0.059 0.000 1.007 118 S CA 0.858 59.066 58.200 0.013 0.000 0.965 118 S CB -0.923 62.292 63.200 0.025 0.000 0.773 118 S HN 0.641 nan 8.310 nan 0.000 0.504 119 H N 0.555 119.531 119.070 -0.156 0.000 2.548 119 H HA 0.229 4.805 4.556 0.032 0.000 0.268 119 H C 1.804 177.106 175.328 -0.043 0.000 0.975 119 H CA 0.413 56.380 56.048 -0.136 0.000 1.195 119 H CB 0.248 29.897 29.762 -0.189 0.000 1.397 119 H HN 0.670 nan 8.280 nan 0.000 0.572 120 G N -0.094 108.749 108.800 0.070 0.000 3.033 120 G HA2 -0.171 3.809 3.960 0.033 0.000 0.208 120 G HA3 -0.171 3.809 3.960 0.033 0.000 0.208 120 G C 0.768 175.706 174.900 0.063 0.000 1.006 120 G CA -0.267 44.879 45.100 0.077 0.000 0.808 120 G HN 0.554 nan 8.290 nan 0.000 0.499 121 G N -0.041 108.777 108.800 0.030 0.000 2.664 121 G HA2 0.428 4.407 3.960 0.033 0.000 0.242 121 G HA3 0.428 4.407 3.960 0.033 0.000 0.242 121 G C -0.108 174.849 174.900 0.095 0.000 1.225 121 G CA 0.312 45.478 45.100 0.111 0.000 0.849 121 G HN 0.493 nan 8.290 nan 0.000 0.581 122 H N 0.310 119.358 119.070 -0.036 0.000 2.495 122 H HA 0.198 4.773 4.556 0.032 0.000 0.350 122 H C 1.389 176.526 175.328 -0.319 0.000 1.202 122 H CA -0.790 55.078 56.048 -0.300 0.000 1.322 122 H CB 1.208 30.609 29.762 -0.602 0.000 1.544 122 H HN 0.277 nan 8.280 nan 0.000 0.565 123 L N 1.096 121.657 121.223 -1.103 0.000 2.043 123 L HA -0.210 4.150 4.340 0.033 0.000 0.212 123 L C 2.535 179.066 176.870 -0.565 0.000 1.075 123 L CA 2.080 56.476 54.840 -0.741 0.000 0.752 123 L CB -0.486 41.169 42.059 -0.674 0.000 0.891 123 L HN 0.743 nan 8.230 nan 0.000 0.432 124 T N -5.081 109.193 114.554 -0.468 0.000 3.160 124 T HA -0.114 4.255 4.350 0.033 0.000 0.257 124 T C 1.008 175.635 174.700 -0.122 0.000 1.147 124 T CA 0.517 62.493 62.100 -0.208 0.000 1.064 124 T CB -0.643 68.317 68.868 0.153 0.000 0.949 124 T HN 0.485 nan 8.240 nan 0.000 0.526 125 H N 0.651 119.592 119.070 -0.216 0.000 2.537 125 H HA 0.472 5.048 4.556 0.033 0.000 0.295 125 H C 1.409 176.201 175.328 -0.893 0.000 1.054 125 H CA -0.333 55.540 56.048 -0.292 0.000 1.156 125 H CB 0.143 29.863 29.762 -0.071 0.000 1.468 125 H HN 0.534 nan 8.280 nan 0.000 0.551 126 G N 0.918 109.032 108.800 -1.143 0.000 2.157 126 G HA2 -0.250 3.729 3.960 0.033 0.000 0.118 126 G HA3 -0.250 3.729 3.960 0.033 0.000 0.118 126 G C -0.010 174.544 174.900 -0.577 0.000 1.032 126 G CA -0.073 44.195 45.100 -1.387 0.000 0.697 126 G HN 0.329 nan 8.290 nan 0.000 0.495 127 S N 0.997 116.422 115.700 -0.459 0.000 2.549 127 S HA 0.498 4.987 4.470 0.033 0.000 0.279 127 S C 0.112 174.575 174.600 -0.228 0.000 1.321 127 S CA -0.391 57.633 58.200 -0.293 0.000 1.054 127 S CB 1.172 64.207 63.200 -0.274 0.000 0.899 127 S HN 0.174 nan 8.310 nan 0.000 0.497 128 P HA -0.050 nan 4.420 nan 0.000 0.226 128 P C 1.174 178.427 177.300 -0.078 0.000 1.153 128 P CA 0.885 63.926 63.100 -0.099 0.000 0.777 128 P CB -0.266 31.391 31.700 -0.072 0.000 0.794 129 V N -4.255 115.606 119.914 -0.088 0.000 3.650 129 V HA 0.193 4.332 4.120 0.033 0.000 0.271 129 V C 1.077 177.138 176.094 -0.054 0.000 1.281 129 V CA -0.141 62.123 62.300 -0.059 0.000 1.120 129 V CB -1.074 30.716 31.823 -0.054 0.000 0.856 129 V HN 0.031 nan 8.190 nan 0.000 0.443 130 N N 0.684 119.321 118.700 -0.105 0.000 2.458 130 N HA 0.199 4.959 4.740 0.033 0.000 0.271 130 N C 1.031 176.498 175.510 -0.072 0.000 1.210 130 N CA -0.000 52.988 53.050 -0.104 0.000 0.978 130 N CB 1.859 40.194 38.487 -0.253 0.000 1.206 130 N HN 0.269 nan 8.380 nan 0.000 0.536 131 F N 1.002 120.957 119.950 0.009 0.000 2.269 131 F HA -0.080 4.466 4.527 0.032 0.000 0.301 131 F C 2.266 178.105 175.800 0.064 0.000 1.082 131 F CA 1.055 59.079 58.000 0.040 0.000 1.360 131 F CB -0.740 38.307 39.000 0.079 0.000 1.041 131 F HN 0.392 nan 8.300 nan 0.000 0.512 132 S N 0.663 115.881 115.700 -0.804 0.000 2.355 132 S HA -0.027 4.462 4.470 0.033 0.000 0.222 132 S C 2.314 176.842 174.600 -0.121 0.000 1.031 132 S CA 0.865 58.779 58.200 -0.477 0.000 0.993 132 S CB -1.639 61.098 63.200 -0.772 0.000 0.859 132 S HN 0.516 nan 8.310 nan 0.000 0.453 133 G N 1.065 109.714 108.800 -0.251 0.000 2.422 133 G HA2 -0.035 3.944 3.960 0.033 0.000 0.218 133 G HA3 -0.035 3.944 3.960 0.033 0.000 0.218 133 G C 1.405 176.297 174.900 -0.015 0.000 1.140 133 G CA 0.859 45.904 45.100 -0.092 0.000 0.775 133 G HN 0.466 nan 8.290 nan 0.000 0.545 134 V N 0.228 120.123 119.914 -0.031 0.000 2.323 134 V HA -0.138 4.002 4.120 0.033 0.000 0.244 134 V C 2.685 178.756 176.094 -0.039 0.000 1.041 134 V CA 2.141 64.438 62.300 -0.006 0.000 1.025 134 V CB -0.144 31.697 31.823 0.031 0.000 0.656 134 V HN 0.409 nan 8.190 nan 0.000 0.451 135 Q N -0.731 119.012 119.800 -0.094 0.000 2.096 135 Q HA -0.006 4.353 4.340 0.033 0.000 0.197 135 Q C 0.051 175.663 176.000 -0.648 0.000 0.964 135 Q CA 1.297 56.889 55.803 -0.352 0.000 0.838 135 Q CB 0.063 28.515 28.738 -0.476 0.000 0.906 135 Q HN 0.653 nan 8.270 nan 0.000 0.444 136 Y N -0.379 119.907 120.300 -0.024 0.000 2.509 136 Y HA 0.376 4.946 4.550 0.032 0.000 0.341 136 Y C -0.392 175.470 175.900 -0.064 0.000 1.038 136 Y CA -1.776 56.258 58.100 -0.110 0.000 1.089 136 Y CB 0.791 39.149 38.460 -0.170 0.000 1.241 136 Y HN -0.101 nan 8.280 nan 0.000 0.468 137 N N 1.719 120.418 118.700 -0.002 0.000 2.466 137 N HA 0.133 4.893 4.740 0.033 0.000 0.263 137 N C -1.723 173.724 175.510 -0.105 0.000 1.178 137 N CA 0.052 53.080 53.050 -0.035 0.000 0.983 137 N CB -0.421 38.029 38.487 -0.061 0.000 1.331 137 N HN 0.426 nan 8.380 nan 0.000 0.500 138 F N 2.851 122.750 119.950 -0.084 0.000 2.411 138 F HA 0.231 4.778 4.527 0.033 0.000 0.355 138 F C 0.467 176.186 175.800 -0.135 0.000 1.117 138 F CA -0.640 57.295 58.000 -0.107 0.000 1.139 138 F CB 0.918 39.849 39.000 -0.115 0.000 1.120 138 F HN 0.141 nan 8.300 nan 0.000 0.493 139 V N 1.602 121.495 119.914 -0.036 0.000 2.532 139 V HA 0.891 5.030 4.120 0.033 0.000 0.295 139 V C -0.189 175.900 176.094 -0.010 0.000 1.041 139 V CA -1.068 61.156 62.300 -0.126 0.000 0.926 139 V CB 1.095 32.677 31.823 -0.402 0.000 0.992 139 V HN 0.832 nan 8.190 nan 0.000 0.457 140 A N 4.502 127.290 122.820 -0.052 0.000 2.304 140 A HA 0.840 5.179 4.320 0.033 0.000 0.323 140 A C -0.636 176.919 177.584 -0.049 0.000 1.195 140 A CA -0.646 51.335 52.037 -0.093 0.000 0.826 140 A CB 0.626 19.520 19.000 -0.176 0.000 1.184 140 A HN 1.348 nan 8.150 nan 0.000 0.496 141 Y N 1.032 121.302 120.300 -0.050 0.000 2.596 141 Y HA 0.912 5.481 4.550 0.033 0.000 0.326 141 Y C 0.498 176.340 175.900 -0.096 0.000 1.167 141 Y CA -0.599 57.469 58.100 -0.052 0.000 1.246 141 Y CB 0.940 39.394 38.460 -0.010 0.000 1.347 141 Y HN 0.918 nan 8.280 nan 0.000 0.515 142 G N -0.230 108.660 108.800 0.150 0.000 2.677 142 G HA2 0.513 4.493 3.960 0.033 0.000 0.283 142 G HA3 0.513 4.493 3.960 0.033 0.000 0.283 142 G C -1.385 173.684 174.900 0.282 0.000 1.221 142 G CA -0.336 44.860 45.100 0.161 0.000 0.851 142 G HN 1.191 nan 8.290 nan 0.000 0.504 143 V N -1.923 118.226 119.914 0.392 0.000 3.096 143 V HA 0.675 4.814 4.120 0.033 0.000 0.319 143 V C -0.243 175.995 176.094 0.239 0.000 1.103 143 V CA -0.964 61.474 62.300 0.229 0.000 1.016 143 V CB 1.827 33.781 31.823 0.218 0.000 1.090 143 V HN 0.689 nan 8.190 nan 0.000 0.449 144 D N 1.542 122.056 120.400 0.189 0.000 2.382 144 D HA 0.240 4.900 4.640 0.033 0.000 0.245 144 D C -1.841 174.548 176.300 0.149 0.000 1.120 144 D CA -1.284 52.802 54.000 0.143 0.000 0.890 144 D CB 2.183 43.018 40.800 0.059 0.000 1.201 144 D HN 0.395 nan 8.370 nan 0.000 0.433 145 P HA -0.033 nan 4.420 nan 0.000 0.223 145 P C 0.513 177.688 177.300 -0.208 0.000 1.151 145 P CA 1.037 64.123 63.100 -0.023 0.000 0.787 145 P CB 0.457 32.013 31.700 -0.239 0.000 0.788 146 E N -1.443 118.603 120.200 -0.258 0.000 2.152 146 E HA -0.019 4.351 4.350 0.033 0.000 0.195 146 E C 1.738 178.057 176.600 -0.468 0.000 0.934 146 E CA 1.332 57.541 56.400 -0.318 0.000 0.869 146 E CB -0.270 29.339 29.700 -0.152 0.000 0.842 146 E HN 0.241 nan 8.360 nan 0.000 0.472 147 T N -2.577 111.801 114.554 -0.294 0.000 3.067 147 T HA -0.012 4.358 4.350 0.033 0.000 0.257 147 T C 0.124 174.768 174.700 -0.094 0.000 1.105 147 T CA 0.405 62.405 62.100 -0.167 0.000 1.104 147 T CB -0.301 68.543 68.868 -0.040 0.000 0.925 147 T HN 0.268 nan 8.240 nan 0.000 0.498 148 H N -0.554 118.560 119.070 0.074 0.000 2.791 148 H HA -0.069 4.507 4.556 0.033 0.000 0.302 148 H C -0.681 174.743 175.328 0.160 0.000 1.198 148 H CA 0.104 56.207 56.048 0.092 0.000 1.145 148 H CB -2.373 27.418 29.762 0.048 0.000 1.385 148 H HN 0.332 nan 8.280 nan 0.000 0.409 149 V N 0.892 120.953 119.914 0.245 0.000 2.628 149 V HA 0.254 4.394 4.120 0.033 0.000 0.306 149 V C 1.052 177.287 176.094 0.235 0.000 1.045 149 V CA -0.891 61.593 62.300 0.307 0.000 0.905 149 V CB 2.022 33.966 31.823 0.202 0.000 0.997 149 V HN 0.238 nan 8.190 nan 0.000 0.436 150 I N 3.432 124.115 120.570 0.190 0.000 2.828 150 I HA -0.052 4.138 4.170 0.033 0.000 0.292 150 I C 0.507 176.459 176.117 -0.275 0.000 1.206 150 I CA 0.667 61.862 61.300 -0.174 0.000 1.420 150 I CB 0.068 37.753 38.000 -0.526 0.000 1.368 150 I HN 0.608 nan 8.210 nan 0.000 0.556 151 D N 7.169 127.471 120.400 -0.164 0.000 2.422 151 D HA 0.052 4.711 4.640 0.033 0.000 0.227 151 D C 0.568 176.738 176.300 -0.216 0.000 1.190 151 D CA -0.092 53.853 54.000 -0.091 0.000 0.905 151 D CB 0.446 41.259 40.800 0.021 0.000 1.034 151 D HN 0.345 nan 8.370 nan 0.000 0.507 152 Y N 1.392 121.606 120.300 -0.143 0.000 2.439 152 Y HA -0.085 4.484 4.550 0.033 0.000 0.292 152 Y C 2.060 177.840 175.900 -0.200 0.000 1.130 152 Y CA 0.462 58.396 58.100 -0.277 0.000 1.254 152 Y CB 0.234 38.515 38.460 -0.299 0.000 1.000 152 Y HN 0.364 nan 8.280 nan 0.000 0.554 153 D N 0.062 120.475 120.400 0.022 0.000 2.117 153 D HA -0.180 4.480 4.640 0.033 0.000 0.198 153 D C 1.594 177.885 176.300 -0.014 0.000 0.982 153 D CA 1.539 55.539 54.000 -0.001 0.000 0.828 153 D CB -0.251 40.557 40.800 0.014 0.000 0.967 153 D HN 0.383 nan 8.370 nan 0.000 0.464 154 D N 0.527 120.920 120.400 -0.012 0.000 2.104 154 D HA -0.141 4.519 4.640 0.033 0.000 0.194 154 D C 2.152 178.443 176.300 -0.015 0.000 0.994 154 D CA 0.797 54.803 54.000 0.010 0.000 0.830 154 D CB 0.029 40.856 40.800 0.044 0.000 0.959 154 D HN -0.078 nan 8.370 nan 0.000 0.452 155 V N 0.458 120.302 119.914 -0.117 0.000 2.282 155 V HA -0.263 3.877 4.120 0.033 0.000 0.249 155 V C 2.646 178.672 176.094 -0.114 0.000 1.057 155 V CA 2.198 64.370 62.300 -0.214 0.000 1.032 155 V CB -0.654 30.830 31.823 -0.566 0.000 0.645 155 V HN 0.245 nan 8.190 nan 0.000 0.447 156 R N -0.093 120.348 120.500 -0.099 0.000 2.081 156 R HA -0.228 4.132 4.340 0.033 0.000 0.235 156 R C 2.419 178.709 176.300 -0.017 0.000 1.131 156 R CA 2.101 58.168 56.100 -0.054 0.000 0.960 156 R CB -0.320 29.950 30.300 -0.050 0.000 0.856 156 R HN 0.680 nan 8.270 nan 0.000 0.436 157 E N 0.191 120.387 120.200 -0.006 0.000 2.058 157 E HA -0.218 4.151 4.350 0.033 0.000 0.194 157 E C 1.586 178.209 176.600 0.038 0.000 0.997 157 E CA 1.322 57.729 56.400 0.011 0.000 0.801 157 E CB 0.178 29.889 29.700 0.019 0.000 0.746 157 E HN 0.183 nan 8.360 nan 0.000 0.450 158 K N 0.165 120.616 120.400 0.086 0.000 2.057 158 K HA -0.117 4.223 4.320 0.033 0.000 0.207 158 K C 2.074 178.784 176.600 0.183 0.000 1.049 158 K CA 1.130 57.542 56.287 0.208 0.000 0.931 158 K CB -0.540 32.079 32.500 0.198 0.000 0.714 158 K HN 0.186 nan 8.250 nan 0.000 0.440 159 A N 1.740 124.611 122.820 0.086 0.000 1.902 159 A HA -0.146 4.194 4.320 0.033 0.000 0.217 159 A C 2.228 179.833 177.584 0.035 0.000 1.181 159 A CA 1.222 53.295 52.037 0.060 0.000 0.623 159 A CB -0.322 18.693 19.000 0.025 0.000 0.818 159 A HN 0.215 nan 8.150 nan 0.000 0.443 160 R N -1.433 119.074 120.500 0.010 0.000 2.115 160 R HA -0.016 4.344 4.340 0.033 0.000 0.226 160 R C 1.969 178.244 176.300 -0.041 0.000 1.100 160 R CA 1.133 57.225 56.100 -0.013 0.000 0.980 160 R CB -0.361 29.927 30.300 -0.019 0.000 0.875 160 R HN 0.485 nan 8.270 nan 0.000 0.445 161 L N -0.029 121.151 121.223 -0.072 0.000 2.102 161 L HA -0.053 4.307 4.340 0.033 0.000 0.202 161 L C 1.806 178.514 176.870 -0.269 0.000 1.076 161 L CA 1.874 56.587 54.840 -0.211 0.000 0.761 161 L CB -0.431 41.430 42.059 -0.329 0.000 0.921 161 L HN 0.159 nan 8.230 nan 0.000 0.444 162 H N 0.177 119.245 119.070 -0.002 0.000 2.563 162 H HA 0.247 4.822 4.556 0.033 0.000 0.264 162 H C -0.069 175.251 175.328 -0.014 0.000 0.957 162 H CA -0.018 56.026 56.048 -0.007 0.000 1.173 162 H CB 0.333 30.093 29.762 -0.005 0.000 1.420 162 H HN 0.132 nan 8.280 nan 0.000 0.551 163 R N 0.735 121.279 120.500 0.073 0.000 3.127 163 R HA -0.103 4.257 4.340 0.033 0.000 0.247 163 R C -2.642 173.675 176.300 0.029 0.000 0.896 163 R CA 0.030 56.150 56.100 0.034 0.000 0.624 163 R CB -2.295 28.012 30.300 0.011 0.000 1.154 163 R HN 0.442 nan 8.270 nan 0.000 0.474 164 P HA 0.154 nan 4.420 nan 0.000 0.276 164 P C 0.513 177.808 177.300 -0.009 0.000 1.244 164 P CA -0.427 62.668 63.100 -0.009 0.000 0.801 164 P CB 0.989 32.679 31.700 -0.016 0.000 1.006 165 K N 0.166 120.552 120.400 -0.025 0.000 2.186 165 K HA 0.062 4.402 4.320 0.033 0.000 0.202 165 K C 0.383 177.038 176.600 0.091 0.000 1.052 165 K CA 0.505 56.806 56.287 0.022 0.000 0.965 165 K CB 0.018 32.530 32.500 0.020 0.000 0.746 165 K HN 0.323 nan 8.250 nan 0.000 0.457 166 L N 0.654 121.896 121.223 0.032 0.000 2.445 166 L HA 0.461 4.820 4.340 0.033 0.000 0.262 166 L C -1.607 175.298 176.870 0.058 0.000 0.974 166 L CA -0.586 54.312 54.840 0.096 0.000 0.822 166 L CB 1.905 43.993 42.059 0.048 0.000 1.339 166 L HN -0.099 nan 8.230 nan 0.000 0.409 167 I N 4.845 125.501 120.570 0.142 0.000 2.378 167 I HA 0.462 4.652 4.170 0.033 0.000 0.291 167 I C -0.788 175.427 176.117 0.162 0.000 0.992 167 I CA -0.957 60.441 61.300 0.163 0.000 1.154 167 I CB 1.936 40.067 38.000 0.217 0.000 1.315 167 I HN 0.269 nan 8.210 nan 0.000 0.448 168 V N 6.029 126.041 119.914 0.163 0.000 2.350 168 V HA 0.607 4.746 4.120 0.033 0.000 0.276 168 V C 0.377 176.440 176.094 -0.053 0.000 1.028 168 V CA -0.419 61.922 62.300 0.068 0.000 0.860 168 V CB 1.229 33.119 31.823 0.111 0.000 0.990 168 V HN 0.828 nan 8.190 nan 0.000 0.453 169 A N 4.417 127.071 122.820 -0.277 0.000 2.325 169 A HA 1.039 5.379 4.320 0.033 0.000 0.333 169 A C 0.135 177.569 177.584 -0.250 0.000 1.155 169 A CA 0.149 51.853 52.037 -0.554 0.000 0.814 169 A CB 1.388 19.619 19.000 -1.282 0.000 1.206 169 A HN 2.378 nan 8.150 nan 0.000 0.482 170 A N -0.685 122.051 122.820 -0.140 0.000 2.436 170 A HA 0.579 4.918 4.320 0.033 0.000 0.685 170 A C -0.387 177.249 177.584 0.087 0.000 0.144 170 A CA -0.038 52.019 52.037 0.033 0.000 0.042 170 A CB -1.342 17.703 19.000 0.075 0.000 3.965 170 A HN 2.923 nan 8.150 nan 0.000 0.547 171 A N -0.478 122.460 122.820 0.197 0.000 2.609 171 A HA 0.878 5.218 4.320 0.033 0.000 0.291 171 A C 0.547 178.227 177.584 0.160 0.000 1.096 171 A CA 0.559 52.719 52.037 0.206 0.000 0.684 171 A CB 0.914 20.001 19.000 0.145 0.000 1.282 171 A HN 1.947 nan 8.150 nan 0.000 0.412 172 S N -0.399 115.357 115.700 0.095 0.000 2.503 172 S HA 0.393 4.882 4.470 0.033 0.000 0.215 172 S C 0.830 175.239 174.600 -0.319 0.000 1.003 172 S CA 0.862 59.014 58.200 -0.081 0.000 0.910 172 S CB 0.518 63.817 63.200 0.165 0.000 0.790 172 S HN 1.689 nan 8.310 nan 0.000 0.514 173 A N 0.682 123.441 122.820 -0.101 0.000 3.106 173 A HA 0.462 4.801 4.320 0.033 0.000 0.227 173 A C -0.928 176.678 177.584 0.036 0.000 0.920 173 A CA -0.332 51.653 52.037 -0.088 0.000 1.088 173 A CB 0.024 18.991 19.000 -0.056 0.000 1.233 173 A HN 0.324 nan 8.150 nan 0.000 0.503 174 Y N 2.016 122.273 120.300 -0.072 0.000 2.478 174 Y HA 0.478 5.047 4.550 0.032 0.000 0.329 174 Y C -2.000 173.900 175.900 -0.000 0.000 0.967 174 Y CA -2.306 55.790 58.100 -0.007 0.000 1.255 174 Y CB 1.839 40.331 38.460 0.053 0.000 1.103 174 Y HN 0.286 nan 8.280 nan 0.000 0.497 175 P HA -0.020 nan 4.420 nan 0.000 0.242 175 P C -0.105 177.034 177.300 -0.268 0.000 1.197 175 P CA 0.820 63.772 63.100 -0.245 0.000 0.765 175 P CB 0.396 31.971 31.700 -0.208 0.000 0.936 176 R N -0.144 120.020 120.500 -0.560 0.000 2.828 176 R HA 0.474 4.834 4.340 0.033 0.000 0.264 176 R C 0.476 176.786 176.300 0.017 0.000 1.022 176 R CA -1.482 54.404 56.100 -0.356 0.000 1.021 176 R CB 0.651 30.649 30.300 -0.504 0.000 1.163 176 R HN 0.028 nan 8.270 nan 0.000 0.494 177 I N 2.270 122.892 120.570 0.087 0.000 2.618 177 I HA 0.037 4.227 4.170 0.033 0.000 0.284 177 I C 0.465 176.731 176.117 0.248 0.000 1.146 177 I CA 0.332 61.698 61.300 0.110 0.000 1.425 177 I CB 0.348 38.252 38.000 -0.161 0.000 1.383 177 I HN 0.234 nan 8.210 nan 0.000 0.562 178 I N 5.977 126.697 120.570 0.249 0.000 2.342 178 I HA 0.104 4.293 4.170 0.033 0.000 0.291 178 I C 0.310 176.200 176.117 -0.378 0.000 1.010 178 I CA -0.265 61.061 61.300 0.044 0.000 1.308 178 I CB 0.804 38.763 38.000 -0.070 0.000 1.400 178 I HN 0.498 nan 8.210 nan 0.000 0.488 179 D N 6.598 126.968 120.400 -0.050 0.000 2.393 179 D HA 0.128 4.788 4.640 0.033 0.000 0.232 179 D C 0.646 176.907 176.300 -0.065 0.000 1.192 179 D CA -0.056 53.828 54.000 -0.193 0.000 0.882 179 D CB 0.554 41.170 40.800 -0.306 0.000 1.038 179 D HN 0.370 nan 8.370 nan 0.000 0.499 180 F N 1.963 121.978 119.950 0.109 0.000 2.456 180 F HA -0.012 4.534 4.527 0.032 0.000 0.298 180 F C 2.487 178.178 175.800 -0.181 0.000 1.104 180 F CA 0.277 58.329 58.000 0.087 0.000 1.435 180 F CB -0.001 39.076 39.000 0.129 0.000 1.078 180 F HN 0.436 nan 8.300 nan 0.000 0.546 181 A N 0.679 123.216 122.820 -0.471 0.000 1.898 181 A HA -0.170 4.170 4.320 0.033 0.000 0.216 181 A C 2.201 179.634 177.584 -0.252 0.000 1.181 181 A CA 1.406 53.038 52.037 -0.675 0.000 0.620 181 A CB -0.504 18.027 19.000 -0.781 0.000 0.819 181 A HN 0.276 nan 8.150 nan 0.000 0.442 182 K N -1.390 118.859 120.400 -0.251 0.000 2.057 182 K HA -0.111 4.228 4.320 0.033 0.000 0.207 182 K C 1.661 178.183 176.600 -0.130 0.000 1.049 182 K CA 1.569 57.691 56.287 -0.276 0.000 0.931 182 K CB -0.364 31.752 32.500 -0.640 0.000 0.714 182 K HN 0.456 nan 8.250 nan 0.000 0.440 183 F N 1.162 121.108 119.950 -0.007 0.000 2.134 183 F HA -0.196 4.351 4.527 0.033 0.000 0.299 183 F C 2.632 178.455 175.800 0.039 0.000 1.097 183 F CA 1.339 59.371 58.000 0.054 0.000 1.264 183 F CB -0.185 38.890 39.000 0.125 0.000 1.001 183 F HN -0.056 nan 8.300 nan 0.000 0.479 184 R N 0.924 121.552 120.500 0.213 0.000 2.075 184 R HA -0.132 4.227 4.340 0.033 0.000 0.232 184 R C 1.954 178.305 176.300 0.084 0.000 1.126 184 R CA 1.745 57.932 56.100 0.144 0.000 0.963 184 R CB -0.731 29.659 30.300 0.150 0.000 0.858 184 R HN 0.320 nan 8.270 nan 0.000 0.435 185 E N -0.197 120.020 120.200 0.027 0.000 2.070 185 E HA -0.219 4.150 4.350 0.033 0.000 0.197 185 E C 1.992 178.593 176.600 0.002 0.000 1.004 185 E CA 1.887 58.286 56.400 -0.001 0.000 0.805 185 E CB -0.239 29.430 29.700 -0.051 0.000 0.744 185 E HN 0.378 nan 8.360 nan 0.000 0.451 186 I N 0.695 121.259 120.570 -0.010 0.000 2.315 186 I HA -0.241 3.949 4.170 0.033 0.000 0.248 186 I C 2.469 178.604 176.117 0.029 0.000 1.117 186 I CA 0.840 62.132 61.300 -0.014 0.000 1.404 186 I CB -0.214 37.746 38.000 -0.066 0.000 1.071 186 I HN 0.088 nan 8.210 nan 0.000 0.419 187 A N 0.376 123.241 122.820 0.075 0.000 1.930 187 A HA -0.202 4.138 4.320 0.033 0.000 0.217 187 A C 1.937 179.563 177.584 0.070 0.000 1.175 187 A CA 1.821 53.917 52.037 0.099 0.000 0.627 187 A CB -0.461 18.640 19.000 0.168 0.000 0.815 187 A HN 0.317 nan 8.150 nan 0.000 0.443 188 D N -0.628 119.812 120.400 0.066 0.000 2.144 188 D HA -0.123 4.536 4.640 0.033 0.000 0.200 188 D C 1.841 178.153 176.300 0.020 0.000 0.978 188 D CA 1.247 55.276 54.000 0.047 0.000 0.833 188 D CB -0.335 40.496 40.800 0.052 0.000 0.961 188 D HN 0.712 nan 8.370 nan 0.000 0.470 189 E N 0.553 120.761 120.200 0.014 0.000 2.085 189 E HA -0.159 4.211 4.350 0.033 0.000 0.194 189 E C 1.729 178.328 176.600 -0.002 0.000 0.994 189 E CA 1.327 57.728 56.400 0.002 0.000 0.801 189 E CB 0.267 29.965 29.700 -0.004 0.000 0.743 189 E HN 0.213 nan 8.360 nan 0.000 0.453 190 V N -2.996 116.919 119.914 0.002 0.000 3.542 190 V HA 0.418 4.558 4.120 0.033 0.000 0.296 190 V C 0.876 176.960 176.094 -0.016 0.000 1.364 190 V CA 0.329 62.627 62.300 -0.004 0.000 1.118 190 V CB -0.066 31.760 31.823 0.005 0.000 0.972 190 V HN 0.281 nan 8.190 nan 0.000 0.430 191 G N 0.342 109.127 108.800 -0.024 0.000 2.314 191 G HA2 0.075 4.054 3.960 0.033 0.000 0.292 191 G HA3 0.075 4.054 3.960 0.033 0.000 0.292 191 G C 0.119 174.948 174.900 -0.118 0.000 1.059 191 G CA 0.431 45.492 45.100 -0.064 0.000 0.982 191 G HN 1.729 nan 8.290 nan 0.000 0.505 192 A N -0.375 122.396 122.820 -0.080 0.000 2.356 192 A HA 0.864 5.204 4.320 0.033 0.000 0.323 192 A C -0.111 177.430 177.584 -0.071 0.000 1.119 192 A CA -0.924 51.063 52.037 -0.082 0.000 0.790 192 A CB 1.060 20.078 19.000 0.029 0.000 1.273 192 A HN 0.598 nan 8.150 nan 0.000 0.452 193 Y N -0.018 120.305 120.300 0.039 0.000 2.379 193 Y HA 0.389 4.959 4.550 0.033 0.000 0.337 193 Y C 0.257 176.340 175.900 0.305 0.000 1.238 193 Y CA 0.243 58.390 58.100 0.077 0.000 1.405 193 Y CB 0.642 39.119 38.460 0.028 0.000 1.310 193 Y HN 0.538 nan 8.280 nan 0.000 0.569 194 L N 4.351 125.999 121.223 0.709 0.000 2.325 194 L HA 0.507 4.866 4.340 0.033 0.000 0.281 194 L C -0.926 176.134 176.870 0.316 0.000 1.004 194 L CA -0.724 54.337 54.840 0.368 0.000 0.823 194 L CB 1.139 43.328 42.059 0.217 0.000 1.236 194 L HN 0.723 nan 8.230 nan 0.000 0.415 195 M N 5.339 125.085 119.600 0.244 0.000 2.268 195 M HA 0.617 5.117 4.480 0.033 0.000 0.344 195 M C -1.598 174.722 176.300 0.035 0.000 1.106 195 M CA -0.657 54.751 55.300 0.179 0.000 1.010 195 M CB 1.525 34.228 32.600 0.172 0.000 1.649 195 M HN 0.438 nan 8.290 nan 0.000 0.443 196 V N 3.793 123.687 119.914 -0.034 0.000 2.540 196 V HA 0.301 4.441 4.120 0.033 0.000 0.302 196 V C -0.742 175.287 176.094 -0.108 0.000 1.035 196 V CA -0.705 61.518 62.300 -0.129 0.000 0.873 196 V CB 1.827 33.456 31.823 -0.323 0.000 0.992 196 V HN 0.724 nan 8.190 nan 0.000 0.428 197 D N 5.231 125.596 120.400 -0.058 0.000 2.499 197 D HA 0.275 4.934 4.640 0.033 0.000 0.225 197 D C 0.833 177.130 176.300 -0.005 0.000 1.124 197 D CA -0.455 53.548 54.000 0.005 0.000 0.938 197 D CB 1.163 42.078 40.800 0.192 0.000 1.014 197 D HN 0.622 nan 8.370 nan 0.000 0.517 198 M N 1.087 120.630 119.600 -0.095 0.000 2.563 198 M HA 0.296 4.796 4.480 0.033 0.000 0.231 198 M C 1.551 177.802 176.300 -0.082 0.000 1.136 198 M CA -0.152 55.090 55.300 -0.097 0.000 1.026 198 M CB 0.457 32.939 32.600 -0.196 0.000 1.597 198 M HN 0.109 nan 8.290 nan 0.000 0.495 199 A N 1.425 124.194 122.820 -0.084 0.000 1.923 199 A HA -0.268 4.071 4.320 0.033 0.000 0.222 199 A C 2.092 179.577 177.584 -0.165 0.000 1.258 199 A CA 2.361 54.309 52.037 -0.148 0.000 0.670 199 A CB -1.455 17.436 19.000 -0.182 0.000 0.834 199 A HN 0.764 nan 8.150 nan 0.000 0.470 200 H N -0.707 118.308 119.070 -0.092 0.000 2.436 200 H HA 0.037 4.613 4.556 0.033 0.000 0.294 200 H C 1.844 176.978 175.328 -0.324 0.000 1.048 200 H CA 1.631 57.608 56.048 -0.118 0.000 1.353 200 H CB 0.002 29.832 29.762 0.113 0.000 1.414 200 H HN 0.737 nan 8.280 nan 0.000 0.536 201 I N -2.494 118.037 120.570 -0.065 0.000 3.941 201 I HA 0.363 4.553 4.170 0.033 0.000 0.335 201 I C 2.089 178.196 176.117 -0.017 0.000 1.402 201 I CA 0.081 61.321 61.300 -0.101 0.000 1.112 201 I CB 0.181 38.096 38.000 -0.142 0.000 1.043 201 I HN -0.105 nan 8.210 nan 0.000 0.395 202 A N 2.182 124.995 122.820 -0.012 0.000 1.908 202 A HA -0.074 4.266 4.320 0.033 0.000 0.218 202 A C 2.316 180.075 177.584 0.292 0.000 1.181 202 A CA 2.058 54.145 52.037 0.083 0.000 0.627 202 A CB -1.322 17.682 19.000 0.007 0.000 0.818 202 A HN 0.548 nan 8.150 nan 0.000 0.445 203 G N -0.677 108.273 108.800 0.250 0.000 2.448 203 G HA2 0.006 3.985 3.960 0.033 0.000 0.218 203 G HA3 0.006 3.985 3.960 0.033 0.000 0.218 203 G C 1.466 176.566 174.900 0.333 0.000 1.135 203 G CA 0.843 46.186 45.100 0.405 0.000 0.784 203 G HN 0.448 nan 8.290 nan 0.000 0.543 204 L N 0.163 121.507 121.223 0.201 0.000 2.179 204 L HA 0.033 4.393 4.340 0.033 0.000 0.208 204 L C 2.814 179.828 176.870 0.241 0.000 1.096 204 L CA 0.084 55.035 54.840 0.185 0.000 0.779 204 L CB -0.312 41.846 42.059 0.164 0.000 0.922 204 L HN 0.041 nan 8.230 nan 0.000 0.443 205 V N 0.383 120.458 119.914 0.269 0.000 2.358 205 V HA -0.219 3.921 4.120 0.033 0.000 0.246 205 V C 2.760 179.015 176.094 0.269 0.000 1.047 205 V CA 1.754 64.239 62.300 0.308 0.000 1.035 205 V CB -0.705 31.303 31.823 0.308 0.000 0.658 205 V HN 0.453 nan 8.190 nan 0.000 0.452 206 A N -0.273 122.698 122.820 0.252 0.000 2.070 206 A HA 0.019 4.358 4.320 0.033 0.000 0.220 206 A C 2.089 179.707 177.584 0.058 0.000 1.159 206 A CA 1.796 53.817 52.037 -0.026 0.000 0.656 206 A CB -0.407 18.470 19.000 -0.205 0.000 0.800 206 A HN 0.601 nan 8.150 nan 0.000 0.453 207 A N -2.088 120.830 122.820 0.163 0.000 2.387 207 A HA 0.460 4.800 4.320 0.033 0.000 0.234 207 A C 1.620 179.275 177.584 0.118 0.000 1.253 207 A CA 0.979 53.110 52.037 0.156 0.000 0.894 207 A CB -0.720 18.393 19.000 0.187 0.000 0.963 207 A HN 1.791 nan 8.150 nan 0.000 0.508 208 G N -0.664 108.212 108.800 0.127 0.000 2.153 208 G HA2 -0.257 3.723 3.960 0.033 0.000 0.252 208 G HA3 -0.257 3.723 3.960 0.033 0.000 0.252 208 G C 0.598 175.570 174.900 0.120 0.000 0.994 208 G CA 0.628 45.799 45.100 0.118 0.000 0.698 208 G HN 0.551 nan 8.290 nan 0.000 0.521 209 L N -0.334 120.975 121.223 0.143 0.000 2.640 209 L HA 0.368 4.728 4.340 0.033 0.000 0.230 209 L C 0.855 177.837 176.870 0.188 0.000 1.123 209 L CA -0.153 54.764 54.840 0.129 0.000 0.900 209 L CB 0.261 42.380 42.059 0.099 0.000 1.146 209 L HN 0.369 nan 8.230 nan 0.000 0.484 210 H N 0.932 120.087 119.070 0.143 0.000 2.856 210 H HA 0.329 4.905 4.556 0.033 0.000 0.355 210 H C -2.664 172.800 175.328 0.226 0.000 1.079 210 H CA -1.785 54.372 56.048 0.181 0.000 1.240 210 H CB 2.726 32.616 29.762 0.214 0.000 1.701 210 H HN -0.251 nan 8.280 nan 0.000 0.527 211 P HA -0.091 nan 4.420 nan 0.000 0.264 211 P C 0.047 177.700 177.300 0.590 0.000 1.179 211 P CA 0.172 63.492 63.100 0.366 0.000 0.763 211 P CB 0.711 32.572 31.700 0.269 0.000 0.806 212 N N 3.634 122.574 118.700 0.401 0.000 2.430 212 N HA 0.094 4.853 4.740 0.033 0.000 0.265 212 N C -1.353 174.285 175.510 0.212 0.000 1.100 212 N CA -2.091 51.121 53.050 0.269 0.000 0.961 212 N CB 0.524 39.111 38.487 0.166 0.000 1.075 212 N HN 0.244 nan 8.380 nan 0.000 0.478 213 P HA -0.048 nan 4.420 nan 0.000 0.227 213 P C 1.372 178.565 177.300 -0.179 0.000 1.161 213 P CA 0.366 63.180 63.100 -0.476 0.000 0.788 213 P CB 0.555 31.531 31.700 -1.207 0.000 0.822 214 V N 2.008 121.839 119.914 -0.138 0.000 2.282 214 V HA -0.169 3.970 4.120 0.033 0.000 0.249 214 V C -0.289 175.728 176.094 -0.129 0.000 1.057 214 V CA 2.673 64.906 62.300 -0.112 0.000 1.032 214 V CB -2.527 29.263 31.823 -0.056 0.000 0.645 214 V HN 0.207 nan 8.190 nan 0.000 0.447 215 P HA -0.084 nan 4.420 nan 0.000 0.230 215 P C 0.762 177.830 177.300 -0.386 0.000 1.158 215 P CA 1.260 64.163 63.100 -0.329 0.000 0.769 215 P CB -0.072 31.335 31.700 -0.488 0.000 0.807 216 Y N -1.308 118.967 120.300 -0.042 0.000 2.444 216 Y HA 0.497 5.066 4.550 0.032 0.000 0.249 216 Y C 1.113 176.940 175.900 -0.122 0.000 1.134 216 Y CA -0.583 57.496 58.100 -0.035 0.000 1.261 216 Y CB -0.038 38.470 38.460 0.080 0.000 1.143 216 Y HN -0.177 nan 8.280 nan 0.000 0.523 217 A N -1.204 121.579 122.820 -0.061 0.000 2.374 217 A HA 0.502 4.842 4.320 0.033 0.000 0.317 217 A C -0.255 177.188 177.584 -0.235 0.000 1.094 217 A CA -0.533 51.419 52.037 -0.142 0.000 0.765 217 A CB 0.543 19.488 19.000 -0.091 0.000 1.268 217 A HN 0.428 nan 8.150 nan 0.000 0.438 218 H N 0.720 119.724 119.070 -0.110 0.000 2.363 218 H HA 0.157 4.733 4.556 0.033 0.000 0.301 218 H C -0.647 174.231 175.328 -0.751 0.000 1.074 218 H CA 1.879 57.684 56.048 -0.406 0.000 1.354 218 H CB 0.022 29.400 29.762 -0.641 0.000 1.397 218 H HN 0.565 nan 8.280 nan 0.000 0.516 219 F N -0.211 119.774 119.950 0.059 0.000 2.556 219 F HA 0.494 5.041 4.527 0.033 0.000 0.314 219 F C -0.851 174.910 175.800 -0.066 0.000 1.106 219 F CA -1.228 56.758 58.000 -0.023 0.000 0.911 219 F CB 1.987 40.932 39.000 -0.091 0.000 1.190 219 F HN -0.323 nan 8.300 nan 0.000 0.448 220 V N 1.698 121.654 119.914 0.070 0.000 2.483 220 V HA 0.553 4.692 4.120 0.033 0.000 0.297 220 V C -0.350 175.695 176.094 -0.083 0.000 1.027 220 V CA -0.733 61.526 62.300 -0.069 0.000 0.855 220 V CB 1.926 33.642 31.823 -0.177 0.000 0.995 220 V HN 0.884 nan 8.190 nan 0.000 0.424 221 T N 0.746 115.244 114.554 -0.093 0.000 2.925 221 T HA 0.823 5.192 4.350 0.033 0.000 0.285 221 T C -0.325 174.292 174.700 -0.138 0.000 1.021 221 T CA -0.676 61.364 62.100 -0.100 0.000 1.042 221 T CB 2.098 70.917 68.868 -0.081 0.000 1.037 221 T HN 0.705 nan 8.240 nan 0.000 0.481 222 T N 0.751 115.221 114.554 -0.140 0.000 2.840 222 T HA 0.615 4.985 4.350 0.033 0.000 0.317 222 T C -0.219 174.401 174.700 -0.133 0.000 1.401 222 T CA -0.364 61.640 62.100 -0.160 0.000 1.028 222 T CB 1.500 70.230 68.868 -0.230 0.000 1.317 222 T HN 1.162 nan 8.240 nan 0.000 0.495 223 T N -0.052 114.386 114.554 -0.193 0.000 2.824 223 T HA 0.454 4.823 4.350 0.033 0.000 0.277 223 T C 1.337 175.924 174.700 -0.190 0.000 0.975 223 T CA 0.292 62.237 62.100 -0.259 0.000 0.966 223 T CB 0.869 69.361 68.868 -0.626 0.000 1.054 223 T HN 0.800 nan 8.240 nan 0.000 0.533 224 T N -2.772 111.700 114.554 -0.137 0.000 3.010 224 T HA 0.098 4.468 4.350 0.033 0.000 0.257 224 T C 1.287 175.983 174.700 -0.007 0.000 1.020 224 T CA 0.082 62.193 62.100 0.018 0.000 0.938 224 T CB -0.409 68.510 68.868 0.086 0.000 1.049 224 T HN 0.921 nan 8.240 nan 0.000 0.522 225 H N 0.124 119.188 119.070 -0.009 0.000 2.622 225 H HA 0.447 5.024 4.556 0.035 0.000 0.269 225 H C 0.938 176.246 175.328 -0.035 0.000 0.977 225 H CA -0.482 55.551 56.048 -0.024 0.000 1.179 225 H CB 0.342 30.079 29.762 -0.041 0.000 1.458 225 H HN 0.253 nan 8.280 nan 0.000 0.531 226 K N 1.362 121.648 120.400 -0.190 0.000 3.031 226 K HA 0.024 4.363 4.320 0.033 0.000 0.165 226 K C 1.954 178.548 176.600 -0.010 0.000 1.137 226 K CA 1.001 57.209 56.287 -0.131 0.000 1.375 226 K CB -0.363 31.943 32.500 -0.322 0.000 1.914 226 K HN 0.180 nan 8.250 nan 0.000 0.490 227 T N 0.097 114.632 114.554 -0.033 0.000 3.072 227 T HA -0.038 4.331 4.350 0.033 0.000 0.266 227 T C 1.750 176.637 174.700 0.311 0.000 1.127 227 T CA 0.474 62.628 62.100 0.090 0.000 1.107 227 T CB -0.023 68.814 68.868 -0.052 0.000 0.910 227 T HN 0.058 nan 8.240 nan 0.000 0.513 228 L N 1.218 122.585 121.223 0.240 0.000 2.376 228 L HA 0.357 4.716 4.340 0.033 0.000 0.219 228 L C 1.536 178.579 176.870 0.289 0.000 1.133 228 L CA 0.880 55.903 54.840 0.305 0.000 0.816 228 L CB -1.102 41.092 42.059 0.225 0.000 0.933 228 L HN 0.438 nan 8.230 nan 0.000 0.449 229 R N -0.992 119.651 120.500 0.238 0.000 3.332 229 R HA -0.147 4.213 4.340 0.033 0.000 0.263 229 R C 0.254 176.609 176.300 0.092 0.000 1.053 229 R CA 0.425 56.638 56.100 0.188 0.000 0.705 229 R CB -1.636 28.833 30.300 0.281 0.000 1.166 229 R HN 0.531 nan 8.270 nan 0.000 0.427 230 G N 0.199 109.034 108.800 0.058 0.000 3.175 230 G HA2 0.722 4.702 3.960 0.033 0.000 0.255 230 G HA3 0.722 4.702 3.960 0.033 0.000 0.255 230 G C -2.764 172.147 174.900 0.018 0.000 1.352 230 G CA -0.932 44.158 45.100 -0.017 0.000 1.037 230 G HN 0.126 nan 8.290 nan 0.000 0.556 231 P HA 0.206 nan 4.420 nan 0.000 0.274 231 P C -0.534 176.800 177.300 0.057 0.000 1.237 231 P CA -0.504 62.591 63.100 -0.009 0.000 0.793 231 P CB 1.024 32.688 31.700 -0.060 0.000 0.977 232 R N 0.717 121.213 120.500 -0.007 0.000 2.446 232 R HA 0.447 4.807 4.340 0.033 0.000 0.325 232 R C 0.409 176.743 176.300 0.058 0.000 0.997 232 R CA 0.850 56.904 56.100 -0.077 0.000 1.010 232 R CB -0.797 29.334 30.300 -0.282 0.000 0.946 232 R HN 0.841 nan 8.270 nan 0.000 0.422 233 G N 1.324 110.272 108.800 0.246 0.000 2.349 233 G HA2 0.426 4.405 3.960 0.033 0.000 0.294 233 G HA3 0.426 4.405 3.960 0.033 0.000 0.294 233 G C -1.252 173.728 174.900 0.134 0.000 1.380 233 G CA -0.410 44.774 45.100 0.139 0.000 0.811 233 G HN 0.747 nan 8.290 nan 0.000 0.519 234 G N -1.419 107.423 108.800 0.071 0.000 2.735 234 G HA2 0.836 4.815 3.960 0.033 0.000 0.301 234 G HA3 0.836 4.815 3.960 0.033 0.000 0.301 234 G C -0.795 174.127 174.900 0.036 0.000 1.279 234 G CA -0.503 44.616 45.100 0.032 0.000 1.019 234 G HN 1.178 nan 8.290 nan 0.000 0.497 235 M N -0.268 119.336 119.600 0.007 0.000 2.426 235 M HA 0.569 5.069 4.480 0.033 0.000 0.289 235 M C -2.147 174.130 176.300 -0.038 0.000 1.168 235 M CA -0.578 54.727 55.300 0.009 0.000 0.933 235 M CB 2.088 34.714 32.600 0.043 0.000 1.750 235 M HN 0.405 nan 8.290 nan 0.000 0.494 236 I N 4.552 125.111 120.570 -0.017 0.000 2.509 236 I HA 0.521 4.710 4.170 0.033 0.000 0.293 236 I C -1.325 174.791 176.117 -0.001 0.000 1.020 236 I CA -0.712 60.585 61.300 -0.006 0.000 1.088 236 I CB 2.072 40.099 38.000 0.045 0.000 1.267 236 I HN 0.583 nan 8.210 nan 0.000 0.430 237 L N 6.253 127.469 121.223 -0.011 0.000 2.362 237 L HA 0.729 5.089 4.340 0.033 0.000 0.275 237 L C -0.604 176.320 176.870 0.090 0.000 0.998 237 L CA -0.571 54.269 54.840 -0.000 0.000 0.820 237 L CB 1.784 43.779 42.059 -0.107 0.000 1.270 237 L HN 0.788 nan 8.230 nan 0.000 0.415 238 C N 0.232 119.627 119.300 0.157 0.000 3.241 238 C HA 0.565 5.045 4.460 0.033 0.000 0.312 238 C C -0.464 174.619 174.990 0.154 0.000 1.350 238 C CA -1.012 58.113 59.018 0.178 0.000 1.415 238 C CB 1.703 29.642 27.740 0.330 0.000 1.770 238 C HN 0.870 nan 8.230 nan 0.000 0.466 239 Q N 0.920 120.802 119.800 0.136 0.000 2.394 239 Q HA 0.153 4.513 4.340 0.033 0.000 0.248 239 Q C 1.088 177.078 176.000 -0.016 0.000 0.992 239 Q CA -0.136 55.699 55.803 0.053 0.000 0.888 239 Q CB 0.840 29.593 28.738 0.024 0.000 1.257 239 Q HN 0.762 nan 8.270 nan 0.000 0.462 240 E N 1.764 121.926 120.200 -0.063 0.000 2.187 240 E HA -0.272 4.098 4.350 0.033 0.000 0.199 240 E C 1.680 178.159 176.600 -0.201 0.000 1.004 240 E CA 1.509 57.848 56.400 -0.102 0.000 0.813 240 E CB 0.201 29.855 29.700 -0.078 0.000 0.736 240 E HN 0.672 nan 8.360 nan 0.000 0.468 241 Q N -1.025 118.566 119.800 -0.348 0.000 2.437 241 Q HA -0.127 4.233 4.340 0.033 0.000 0.210 241 Q C 1.093 176.754 176.000 -0.564 0.000 0.972 241 Q CA 0.940 56.436 55.803 -0.511 0.000 0.903 241 Q CB -0.333 27.995 28.738 -0.683 0.000 0.967 241 Q HN 0.301 nan 8.270 nan 0.000 0.486 242 F N -0.040 119.883 119.950 -0.044 0.000 2.682 242 F HA 0.486 5.033 4.527 0.033 0.000 0.308 242 F C 2.012 177.778 175.800 -0.057 0.000 1.093 242 F CA -0.389 57.619 58.000 0.013 0.000 1.244 242 F CB -0.116 38.957 39.000 0.121 0.000 1.052 242 F HN 0.056 nan 8.300 nan 0.000 0.573 243 A N 1.005 123.752 122.820 -0.122 0.000 1.849 243 A HA -0.240 4.099 4.320 0.033 0.000 0.217 243 A C 2.319 179.674 177.584 -0.383 0.000 1.202 243 A CA 1.990 53.684 52.037 -0.571 0.000 0.629 243 A CB -0.602 17.919 19.000 -0.798 0.000 0.834 243 A HN 0.288 nan 8.150 nan 0.000 0.447 244 K N -0.862 119.410 120.400 -0.214 0.000 2.063 244 K HA -0.202 4.137 4.320 0.033 0.000 0.208 244 K C 2.413 179.004 176.600 -0.016 0.000 1.048 244 K CA 1.894 58.115 56.287 -0.110 0.000 0.928 244 K CB -0.211 32.252 32.500 -0.062 0.000 0.713 244 K HN 0.611 nan 8.250 nan 0.000 0.442 245 Q N 0.216 120.037 119.800 0.036 0.000 2.096 245 Q HA -0.146 4.214 4.340 0.033 0.000 0.204 245 Q C 2.013 178.073 176.000 0.101 0.000 0.982 245 Q CA 1.245 57.100 55.803 0.087 0.000 0.850 245 Q CB -0.015 28.804 28.738 0.135 0.000 0.901 245 Q HN 0.220 nan 8.270 nan 0.000 0.422 246 I N 1.108 121.745 120.570 0.111 0.000 2.226 246 I HA -0.238 3.952 4.170 0.033 0.000 0.245 246 I C 1.451 177.653 176.117 0.143 0.000 1.100 246 I CA 1.408 62.783 61.300 0.125 0.000 1.374 246 I CB -1.032 37.081 38.000 0.188 0.000 1.057 246 I HN 0.225 nan 8.210 nan 0.000 0.413 247 D N 0.972 121.430 120.400 0.098 0.000 2.144 247 D HA -0.158 4.502 4.640 0.033 0.000 0.199 247 D C 2.178 178.656 176.300 0.297 0.000 0.984 247 D CA 1.074 55.140 54.000 0.110 0.000 0.834 247 D CB -0.106 40.520 40.800 -0.291 0.000 0.955 247 D HN 0.351 nan 8.370 nan 0.000 0.465 248 K N 0.483 121.005 120.400 0.203 0.000 2.217 248 K HA 0.072 4.411 4.320 0.033 0.000 0.202 248 K C 2.064 178.780 176.600 0.194 0.000 1.051 248 K CA 0.739 57.152 56.287 0.210 0.000 0.952 248 K CB 0.056 32.643 32.500 0.146 0.000 0.736 248 K HN 0.029 nan 8.250 nan 0.000 0.453 249 A N 1.986 124.930 122.820 0.206 0.000 1.902 249 A HA -0.142 4.197 4.320 0.033 0.000 0.217 249 A C 2.109 179.749 177.584 0.094 0.000 1.181 249 A CA 1.086 53.259 52.037 0.226 0.000 0.623 249 A CB -0.341 18.802 19.000 0.238 0.000 0.818 249 A HN 0.059 nan 8.150 nan 0.000 0.443 250 I N -2.532 118.129 120.570 0.151 0.000 2.142 250 I HA -0.012 4.177 4.170 0.033 0.000 0.240 250 I C 0.679 176.917 176.117 0.202 0.000 1.078 250 I CA 1.390 62.775 61.300 0.141 0.000 1.343 250 I CB -0.761 37.366 38.000 0.211 0.000 1.046 250 I HN 0.349 nan 8.210 nan 0.000 0.405 251 F N 2.009 122.030 119.950 0.118 0.000 2.605 251 F HA 0.398 4.945 4.527 0.033 0.000 0.320 251 F C -2.260 173.636 175.800 0.161 0.000 1.159 251 F CA -1.746 56.304 58.000 0.084 0.000 0.999 251 F CB 1.993 41.004 39.000 0.019 0.000 1.258 251 F HN -0.240 nan 8.300 nan 0.000 0.464 252 P HA 0.185 nan 4.420 nan 0.000 0.256 252 P C 0.932 177.988 177.300 -0.407 0.000 1.384 252 P CA 0.507 62.961 63.100 -1.078 0.000 0.879 252 P CB 0.305 31.430 31.700 -0.958 0.000 1.403 253 G N 2.453 111.140 108.800 -0.188 0.000 2.637 253 G HA2 -0.200 3.780 3.960 0.033 0.000 0.215 253 G HA3 -0.200 3.780 3.960 0.033 0.000 0.215 253 G C 1.208 175.870 174.900 -0.397 0.000 1.289 253 G CA 1.167 46.131 45.100 -0.228 0.000 0.816 253 G HN 0.414 nan 8.290 nan 0.000 0.580 254 I N -3.102 117.270 120.570 -0.331 0.000 4.181 254 I HA 0.439 4.628 4.170 0.033 0.000 0.331 254 I C 0.696 176.746 176.117 -0.113 0.000 1.312 254 I CA -0.119 60.995 61.300 -0.311 0.000 1.146 254 I CB 0.516 38.302 38.000 -0.357 0.000 1.074 254 I HN 0.074 nan 8.210 nan 0.000 0.402 255 Q N 0.716 120.515 119.800 -0.002 0.000 2.496 255 Q HA 0.658 5.018 4.340 0.033 0.000 0.286 255 Q C -0.058 176.119 176.000 0.295 0.000 1.103 255 Q CA -0.473 55.399 55.803 0.114 0.000 0.813 255 Q CB 2.463 31.211 28.738 0.017 0.000 1.444 255 Q HN 0.283 nan 8.270 nan 0.000 0.443 256 G N -0.476 108.508 108.800 0.306 0.000 3.434 256 G HA2 0.463 4.442 3.960 0.033 0.000 0.197 256 G HA3 0.463 4.442 3.960 0.033 0.000 0.197 256 G C -0.240 174.765 174.900 0.175 0.000 1.559 256 G CA -0.146 45.172 45.100 0.364 0.000 0.852 256 G HN 0.597 nan 8.290 nan 0.000 0.682 257 G N 1.810 110.739 108.800 0.214 0.000 2.340 257 G HA2 0.470 4.450 3.960 0.033 0.000 0.245 257 G HA3 0.470 4.450 3.960 0.033 0.000 0.245 257 G C -2.155 172.753 174.900 0.013 0.000 1.294 257 G CA -0.281 44.864 45.100 0.074 0.000 0.896 257 G HN 0.378 nan 8.290 nan 0.000 0.522 258 P HA 0.205 nan 4.420 nan 0.000 0.277 258 P C -0.094 177.176 177.300 -0.050 0.000 1.240 258 P CA -0.526 62.554 63.100 -0.032 0.000 0.798 258 P CB 1.325 32.944 31.700 -0.135 0.000 0.979 259 L N 3.005 124.219 121.223 -0.016 0.000 2.385 259 L HA 0.133 4.493 4.340 0.033 0.000 0.285 259 L C 1.760 178.481 176.870 -0.248 0.000 1.125 259 L CA -0.476 54.251 54.840 -0.188 0.000 0.890 259 L CB -0.177 41.715 42.059 -0.279 0.000 1.251 259 L HN 0.237 nan 8.230 nan 0.000 0.445 260 M N 1.757 121.279 119.600 -0.130 0.000 2.229 260 M HA -0.128 4.372 4.480 0.033 0.000 0.264 260 M C 2.367 178.634 176.300 -0.055 0.000 1.063 260 M CA 1.478 56.736 55.300 -0.069 0.000 1.114 260 M CB -1.082 31.505 32.600 -0.022 0.000 1.387 260 M HN 0.647 nan 8.290 nan 0.000 0.420 261 H N -0.931 118.102 119.070 -0.061 0.000 2.357 261 H HA 0.040 4.616 4.556 0.033 0.000 0.301 261 H C 2.047 177.344 175.328 -0.052 0.000 1.082 261 H CA 1.459 57.474 56.048 -0.054 0.000 1.342 261 H CB -1.245 28.482 29.762 -0.058 0.000 1.389 261 H HN 0.228 nan 8.280 nan 0.000 0.511 262 V N 1.541 121.128 119.914 -0.544 0.000 2.515 262 V HA -0.173 3.966 4.120 0.033 0.000 0.250 262 V C 2.933 178.914 176.094 -0.187 0.000 1.058 262 V CA 1.385 63.498 62.300 -0.310 0.000 1.064 262 V CB -0.576 31.047 31.823 -0.332 0.000 0.675 262 V HN 0.235 nan 8.190 nan 0.000 0.461 263 I N 0.503 120.972 120.570 -0.168 0.000 2.226 263 I HA -0.222 3.967 4.170 0.033 0.000 0.245 263 I C 2.642 178.705 176.117 -0.090 0.000 1.100 263 I CA 1.397 62.638 61.300 -0.099 0.000 1.374 263 I CB -0.477 37.486 38.000 -0.063 0.000 1.057 263 I HN 0.280 nan 8.210 nan 0.000 0.413 264 A N 0.619 123.396 122.820 -0.071 0.000 1.902 264 A HA -0.193 4.146 4.320 0.033 0.000 0.217 264 A C 2.510 180.041 177.584 -0.089 0.000 1.181 264 A CA 1.907 53.913 52.037 -0.051 0.000 0.623 264 A CB -0.836 18.155 19.000 -0.015 0.000 0.818 264 A HN 0.434 nan 8.150 nan 0.000 0.443 265 A N -0.402 122.356 122.820 -0.104 0.000 1.969 265 A HA -0.115 4.225 4.320 0.033 0.000 0.218 265 A C 2.081 179.523 177.584 -0.238 0.000 1.169 265 A CA 1.694 53.654 52.037 -0.128 0.000 0.635 265 A CB -0.370 18.574 19.000 -0.093 0.000 0.810 265 A HN 0.552 nan 8.150 nan 0.000 0.445 266 K N -0.214 120.000 120.400 -0.309 0.000 2.057 266 K HA -0.069 4.271 4.320 0.033 0.000 0.207 266 K C 2.294 178.375 176.600 -0.864 0.000 1.049 266 K CA 1.120 57.020 56.287 -0.645 0.000 0.931 266 K CB -0.321 31.899 32.500 -0.468 0.000 0.714 266 K HN 0.436 nan 8.250 nan 0.000 0.440 267 A N 1.004 123.608 122.820 -0.359 0.000 1.933 267 A HA -0.130 4.210 4.320 0.033 0.000 0.218 267 A C 2.351 179.854 177.584 -0.135 0.000 1.175 267 A CA 1.486 53.439 52.037 -0.140 0.000 0.628 267 A CB -0.613 18.369 19.000 -0.030 0.000 0.814 267 A HN 0.076 nan 8.150 nan 0.000 0.444 268 V N -0.174 119.643 119.914 -0.162 0.000 2.307 268 V HA -0.212 3.927 4.120 0.033 0.000 0.245 268 V C 3.048 179.051 176.094 -0.152 0.000 1.045 268 V CA 1.812 64.041 62.300 -0.117 0.000 1.024 268 V CB -1.421 30.347 31.823 -0.092 0.000 0.651 268 V HN 0.598 nan 8.190 nan 0.000 0.449 269 A N -0.185 122.478 122.820 -0.261 0.000 1.917 269 A HA -0.216 4.123 4.320 0.033 0.000 0.219 269 A C 2.123 179.595 177.584 -0.187 0.000 1.182 269 A CA 2.086 53.965 52.037 -0.263 0.000 0.633 269 A CB -0.800 17.982 19.000 -0.362 0.000 0.819 269 A HN 0.562 nan 8.150 nan 0.000 0.448 270 F N -0.340 119.540 119.950 -0.118 0.000 2.234 270 F HA 0.013 4.560 4.527 0.034 0.000 0.296 270 F C 2.683 178.383 175.800 -0.168 0.000 1.089 270 F CA 0.178 58.087 58.000 -0.152 0.000 1.343 270 F CB -0.451 38.497 39.000 -0.088 0.000 1.040 270 F HN 0.350 nan 8.300 nan 0.000 0.498 271 G N 0.256 109.081 108.800 0.041 0.000 2.418 271 G HA2 -0.233 3.747 3.960 0.033 0.000 0.217 271 G HA3 -0.233 3.747 3.960 0.033 0.000 0.217 271 G C 1.406 176.279 174.900 -0.046 0.000 1.158 271 G CA 0.779 45.875 45.100 -0.007 0.000 0.771 271 G HN 0.323 nan 8.290 nan 0.000 0.545 272 E N 0.312 120.466 120.200 -0.077 0.000 2.150 272 E HA 0.018 4.388 4.350 0.033 0.000 0.193 272 E C 2.838 179.320 176.600 -0.197 0.000 0.985 272 E CA 0.655 57.005 56.400 -0.083 0.000 0.814 272 E CB -0.113 29.549 29.700 -0.064 0.000 0.752 272 E HN 0.426 nan 8.360 nan 0.000 0.466 273 A N 0.618 123.184 122.820 -0.424 0.000 2.014 273 A HA -0.069 4.270 4.320 0.033 0.000 0.218 273 A C 2.034 179.434 177.584 -0.306 0.000 1.163 273 A CA 0.657 52.209 52.037 -0.809 0.000 0.652 273 A CB -0.291 18.231 19.000 -0.797 0.000 0.808 273 A HN 0.135 nan 8.150 nan 0.000 0.449 274 L N -0.438 120.685 121.223 -0.166 0.000 2.291 274 L HA -0.074 4.285 4.340 0.033 0.000 0.214 274 L C 1.186 178.046 176.870 -0.016 0.000 1.120 274 L CA 0.323 55.110 54.840 -0.088 0.000 0.799 274 L CB -0.245 41.772 42.059 -0.071 0.000 0.925 274 L HN 0.463 nan 8.230 nan 0.000 0.446 275 Q N -0.012 119.796 119.800 0.014 0.000 2.394 275 Q HA -0.054 4.306 4.340 0.033 0.000 0.248 275 Q C 0.561 176.627 176.000 0.110 0.000 0.992 275 Q CA -0.400 55.438 55.803 0.059 0.000 0.888 275 Q CB 0.839 29.618 28.738 0.068 0.000 1.257 275 Q HN 0.114 nan 8.270 nan 0.000 0.462 276 D N 1.431 121.884 120.400 0.090 0.000 2.144 276 D HA -0.181 4.479 4.640 0.033 0.000 0.199 276 D C 1.238 177.615 176.300 0.130 0.000 0.984 276 D CA 1.416 55.474 54.000 0.097 0.000 0.834 276 D CB -0.136 40.704 40.800 0.066 0.000 0.955 276 D HN 0.666 nan 8.370 nan 0.000 0.465 277 D N 0.042 120.522 120.400 0.133 0.000 2.350 277 D HA -0.184 4.476 4.640 0.033 0.000 0.216 277 D C 1.826 178.246 176.300 0.201 0.000 0.968 277 D CA 0.214 54.297 54.000 0.138 0.000 0.894 277 D CB -0.778 40.086 40.800 0.107 0.000 0.909 277 D HN 0.213 nan 8.370 nan 0.000 0.520 278 F N 1.481 121.494 119.950 0.105 0.000 2.293 278 F HA 0.028 4.574 4.527 0.032 0.000 0.297 278 F C 2.063 177.979 175.800 0.194 0.000 1.089 278 F CA 0.723 58.826 58.000 0.172 0.000 1.377 278 F CB 0.211 39.281 39.000 0.117 0.000 1.051 278 F HN -0.196 nan 8.300 nan 0.000 0.511 279 K N 0.390 120.935 120.400 0.241 0.000 2.057 279 K HA -0.036 4.304 4.320 0.033 0.000 0.206 279 K C 2.270 178.899 176.600 0.048 0.000 1.050 279 K CA 1.174 57.541 56.287 0.133 0.000 0.935 279 K CB -1.108 31.463 32.500 0.120 0.000 0.715 279 K HN 0.308 nan 8.250 nan 0.000 0.439 280 A N 1.340 124.200 122.820 0.067 0.000 1.902 280 A HA -0.210 4.130 4.320 0.033 0.000 0.217 280 A C 2.227 179.823 177.584 0.021 0.000 1.181 280 A CA 1.466 53.531 52.037 0.046 0.000 0.623 280 A CB -0.850 18.191 19.000 0.068 0.000 0.818 280 A HN 0.401 nan 8.150 nan 0.000 0.443 281 Y N 0.786 121.020 120.300 -0.110 0.000 2.128 281 Y HA -0.117 4.453 4.550 0.033 0.000 0.284 281 Y C 2.555 178.325 175.900 -0.216 0.000 1.154 281 Y CA 1.415 59.404 58.100 -0.184 0.000 1.149 281 Y CB -0.692 37.580 38.460 -0.313 0.000 0.976 281 Y HN 0.282 nan 8.280 nan 0.000 0.505 282 A N 0.679 123.185 122.820 -0.524 0.000 1.933 282 A HA -0.196 4.144 4.320 0.033 0.000 0.218 282 A C 2.355 179.769 177.584 -0.283 0.000 1.175 282 A CA 1.806 53.538 52.037 -0.509 0.000 0.628 282 A CB -0.809 18.052 19.000 -0.232 0.000 0.814 282 A HN 0.561 nan 8.150 nan 0.000 0.444 283 K N -0.306 119.998 120.400 -0.161 0.000 2.057 283 K HA -0.146 4.194 4.320 0.033 0.000 0.207 283 K C 2.212 178.752 176.600 -0.100 0.000 1.049 283 K CA 1.302 57.538 56.287 -0.085 0.000 0.931 283 K CB -0.187 32.292 32.500 -0.034 0.000 0.714 283 K HN 0.441 nan 8.250 nan 0.000 0.440 284 R N 0.236 120.655 120.500 -0.134 0.000 2.115 284 R HA -0.077 4.283 4.340 0.033 0.000 0.230 284 R C 2.293 178.517 176.300 -0.127 0.000 1.111 284 R CA 1.184 57.225 56.100 -0.098 0.000 0.976 284 R CB -0.267 30.000 30.300 -0.055 0.000 0.870 284 R HN 0.076 nan 8.270 nan 0.000 0.445 285 V N 0.465 120.225 119.914 -0.257 0.000 2.261 285 V HA -0.215 3.925 4.120 0.033 0.000 0.246 285 V C 2.369 178.414 176.094 -0.081 0.000 1.047 285 V CA 1.593 63.770 62.300 -0.205 0.000 1.015 285 V CB -0.407 31.212 31.823 -0.340 0.000 0.642 285 V HN 0.110 nan 8.190 nan 0.000 0.446 286 V N 0.238 120.109 119.914 -0.071 0.000 2.343 286 V HA -0.253 3.886 4.120 0.033 0.000 0.247 286 V C 2.304 178.391 176.094 -0.011 0.000 1.051 286 V CA 2.280 64.572 62.300 -0.013 0.000 1.036 286 V CB -0.610 31.214 31.823 0.002 0.000 0.654 286 V HN 0.594 nan 8.190 nan 0.000 0.451 287 D N -0.077 120.310 120.400 -0.021 0.000 2.117 287 D HA -0.127 4.532 4.640 0.033 0.000 0.198 287 D C 2.003 178.302 176.300 -0.001 0.000 0.982 287 D CA 1.074 55.069 54.000 -0.008 0.000 0.828 287 D CB -0.445 40.350 40.800 -0.008 0.000 0.967 287 D HN 0.343 nan 8.370 nan 0.000 0.464 288 N N 0.552 119.250 118.700 -0.003 0.000 2.289 288 N HA -0.069 4.691 4.740 0.033 0.000 0.184 288 N C 1.581 177.097 175.510 0.010 0.000 1.016 288 N CA 0.933 53.991 53.050 0.014 0.000 0.872 288 N CB -0.137 38.367 38.487 0.027 0.000 0.973 288 N HN 0.130 nan 8.380 nan 0.000 0.433 289 A N 0.712 123.532 122.820 -0.000 0.000 1.872 289 A HA -0.041 4.299 4.320 0.033 0.000 0.214 289 A C 2.195 179.774 177.584 -0.008 0.000 1.187 289 A CA 1.175 53.208 52.037 -0.008 0.000 0.614 289 A CB -0.283 18.711 19.000 -0.010 0.000 0.826 289 A HN 0.100 nan 8.150 nan 0.000 0.442 290 K N -0.501 119.897 120.400 -0.003 0.000 2.063 290 K HA -0.142 4.197 4.320 0.033 0.000 0.208 290 K C 2.263 178.865 176.600 0.004 0.000 1.048 290 K CA 1.733 58.019 56.287 -0.001 0.000 0.928 290 K CB -0.138 32.362 32.500 0.001 0.000 0.713 290 K HN 0.393 nan 8.250 nan 0.000 0.442 291 R N 0.422 120.927 120.500 0.008 0.000 2.057 291 R HA -0.037 4.323 4.340 0.033 0.000 0.229 291 R C 2.028 178.338 176.300 0.017 0.000 1.136 291 R CA 1.121 57.229 56.100 0.014 0.000 0.952 291 R CB -0.706 29.604 30.300 0.018 0.000 0.848 291 R HN 0.151 nan 8.270 nan 0.000 0.430 292 L N 0.453 121.685 121.223 0.015 0.000 2.042 292 L HA -0.037 4.323 4.340 0.033 0.000 0.210 292 L C 2.127 179.001 176.870 0.006 0.000 1.076 292 L CA 2.224 57.072 54.840 0.013 0.000 0.749 292 L CB -0.854 41.209 42.059 0.007 0.000 0.893 292 L HN 0.315 nan 8.230 nan 0.000 0.432 293 A N -1.733 121.086 122.820 -0.002 0.000 1.883 293 A HA -0.246 4.094 4.320 0.033 0.000 0.217 293 A C 2.533 180.130 177.584 0.022 0.000 1.186 293 A CA 2.087 54.123 52.037 -0.002 0.000 0.624 293 A CB -1.190 17.803 19.000 -0.012 0.000 0.822 293 A HN 0.498 nan 8.150 nan 0.000 0.444 294 S N -0.880 114.833 115.700 0.022 0.000 2.402 294 S HA 0.052 4.542 4.470 0.033 0.000 0.229 294 S C 2.109 176.734 174.600 0.043 0.000 1.021 294 S CA 1.283 59.501 58.200 0.030 0.000 0.974 294 S CB -0.394 62.818 63.200 0.021 0.000 0.800 294 S HN 0.767 nan 8.310 nan 0.000 0.484 295 A N 0.942 123.788 122.820 0.043 0.000 1.969 295 A HA 0.123 4.463 4.320 0.033 0.000 0.218 295 A C 2.064 179.706 177.584 0.096 0.000 1.169 295 A CA 0.966 53.037 52.037 0.057 0.000 0.635 295 A CB -0.550 18.478 19.000 0.047 0.000 0.810 295 A HN 0.547 nan 8.150 nan 0.000 0.445 296 L N -1.001 120.283 121.223 0.102 0.000 2.156 296 L HA -0.187 4.173 4.340 0.033 0.000 0.208 296 L C 2.771 179.811 176.870 0.284 0.000 1.095 296 L CA 1.149 56.110 54.840 0.202 0.000 0.770 296 L CB -0.408 41.680 42.059 0.048 0.000 0.914 296 L HN 0.450 nan 8.230 nan 0.000 0.439 297 Q N -0.452 119.439 119.800 0.151 0.000 2.167 297 Q HA -0.208 4.152 4.340 0.033 0.000 0.202 297 Q C 1.990 178.034 176.000 0.073 0.000 0.970 297 Q CA 1.347 57.217 55.803 0.111 0.000 0.855 297 Q CB -0.202 28.577 28.738 0.067 0.000 0.911 297 Q HN 0.502 nan 8.270 nan 0.000 0.438 298 N N 0.370 119.111 118.700 0.069 0.000 2.244 298 N HA -0.161 4.598 4.740 0.033 0.000 0.183 298 N C 1.162 176.687 175.510 0.024 0.000 1.016 298 N CA 0.709 53.783 53.050 0.039 0.000 0.866 298 N CB 0.281 38.791 38.487 0.038 0.000 0.980 298 N HN 0.189 nan 8.380 nan 0.000 0.430 299 E N -0.015 120.220 120.200 0.059 0.000 2.418 299 E HA -0.018 4.351 4.350 0.033 0.000 0.197 299 E C 0.935 177.416 176.600 -0.200 0.000 1.026 299 E CA 0.654 57.049 56.400 -0.008 0.000 0.862 299 E CB -0.108 29.683 29.700 0.153 0.000 0.799 299 E HN 0.566 nan 8.360 nan 0.000 0.518 300 G N 1.028 109.744 108.800 -0.140 0.000 2.141 300 G HA2 -0.230 3.750 3.960 0.033 0.000 0.195 300 G HA3 -0.230 3.750 3.960 0.033 0.000 0.195 300 G C -0.172 174.556 174.900 -0.288 0.000 1.012 300 G CA -0.303 44.680 45.100 -0.195 0.000 0.696 300 G HN 0.097 nan 8.290 nan 0.000 0.508 301 F N 0.972 120.924 119.950 0.002 0.000 2.371 301 F HA 0.646 5.193 4.527 0.033 0.000 0.329 301 F C 1.114 176.914 175.800 0.001 0.000 1.107 301 F CA -0.075 57.925 58.000 0.000 0.000 1.137 301 F CB 1.492 40.491 39.000 -0.002 0.000 1.214 301 F HN -0.012 nan 8.300 nan 0.000 0.536 302 T N 3.881 118.560 114.554 0.208 0.000 2.794 302 T HA 0.663 5.032 4.350 0.033 0.000 0.280 302 T C -0.475 174.279 174.700 0.090 0.000 0.987 302 T CA -0.636 61.533 62.100 0.116 0.000 0.993 302 T CB 0.751 69.669 68.868 0.083 0.000 0.939 302 T HN 0.279 nan 8.240 nan 0.000 0.449 303 L N 2.798 124.058 121.223 0.061 0.000 2.346 303 L HA 0.646 5.006 4.340 0.033 0.000 0.276 303 L C 0.421 177.297 176.870 0.009 0.000 1.006 303 L CA -1.575 53.275 54.840 0.017 0.000 0.817 303 L CB 1.791 43.855 42.059 0.009 0.000 1.272 303 L HN 0.485 nan 8.230 nan 0.000 0.421 304 V N 0.897 120.772 119.914 -0.065 0.000 2.655 304 V HA 0.237 4.377 4.120 0.033 0.000 0.300 304 V C 1.083 177.187 176.094 0.017 0.000 1.044 304 V CA 0.565 62.788 62.300 -0.129 0.000 1.095 304 V CB 1.025 32.633 31.823 -0.357 0.000 0.952 304 V HN 1.196 nan 8.190 nan 0.000 0.485 305 S N 1.752 117.590 115.700 0.229 0.000 2.929 305 S HA -0.158 4.332 4.470 0.033 0.000 0.271 305 S C 1.930 176.567 174.600 0.062 0.000 1.295 305 S CA 1.480 59.755 58.200 0.127 0.000 1.277 305 S CB -2.064 61.127 63.200 -0.014 0.000 1.557 305 S HN 3.196 nan 8.310 nan 0.000 0.666 306 G N -0.439 108.403 108.800 0.071 0.000 2.179 306 G HA2 0.310 4.289 3.960 0.033 0.000 0.260 306 G HA3 0.310 4.289 3.960 0.033 0.000 0.260 306 G C 0.935 175.844 174.900 0.015 0.000 0.977 306 G CA 0.629 45.754 45.100 0.041 0.000 0.641 306 G HN 2.591 nan 8.290 nan 0.000 0.533 307 G N -2.533 106.264 108.800 -0.005 0.000 2.491 307 G HA2 0.620 4.600 3.960 0.033 0.000 0.183 307 G HA3 0.620 4.600 3.960 0.033 0.000 0.183 307 G C -0.541 174.329 174.900 -0.050 0.000 1.221 307 G CA 0.969 46.057 45.100 -0.020 0.000 0.996 307 G HN 1.730 nan 8.290 nan 0.000 0.474 308 T N -1.037 113.488 114.554 -0.047 0.000 2.894 308 T HA 0.581 4.950 4.350 0.033 0.000 0.309 308 T C -1.119 173.559 174.700 -0.037 0.000 1.208 308 T CA 0.044 62.105 62.100 -0.063 0.000 1.016 308 T CB 1.973 70.799 68.868 -0.071 0.000 1.192 308 T HN 0.272 nan 8.240 nan 0.000 0.491 309 D N 1.409 121.790 120.400 -0.031 0.000 2.441 309 D HA 0.209 4.869 4.640 0.033 0.000 0.210 309 D C 0.602 176.938 176.300 0.060 0.000 1.102 309 D CA 0.308 54.310 54.000 0.004 0.000 0.840 309 D CB 0.538 41.332 40.800 -0.009 0.000 0.990 309 D HN 0.674 nan 8.370 nan 0.000 0.505 310 N N -1.092 117.655 118.700 0.078 0.000 3.567 310 N HA -0.013 4.746 4.740 0.033 0.000 0.347 310 N C 1.117 176.711 175.510 0.140 0.000 1.553 310 N CA -0.320 52.836 53.050 0.176 0.000 0.636 310 N CB -0.159 38.527 38.487 0.331 0.000 2.483 310 N HN -0.174 nan 8.380 nan 0.000 0.608 311 H N -0.825 118.272 119.070 0.046 0.000 2.512 311 H HA 0.263 4.839 4.556 0.032 0.000 0.279 311 H C 0.161 175.498 175.328 0.017 0.000 0.999 311 H CA 0.270 56.333 56.048 0.024 0.000 1.283 311 H CB -0.341 29.450 29.762 0.047 0.000 1.421 311 H HN 0.524 nan 8.280 nan 0.000 0.554 312 L N 0.674 121.544 121.223 -0.588 0.000 2.341 312 L HA 0.565 4.924 4.340 0.033 0.000 0.267 312 L C -0.776 175.942 176.870 -0.253 0.000 1.009 312 L CA -1.349 53.216 54.840 -0.459 0.000 0.819 312 L CB 2.600 44.271 42.059 -0.646 0.000 1.323 312 L HN 0.022 nan 8.230 nan 0.000 0.425 313 L N 1.122 122.240 121.223 -0.174 0.000 2.333 313 L HA 0.671 5.031 4.340 0.033 0.000 0.263 313 L C -1.390 175.407 176.870 -0.122 0.000 1.014 313 L CA -0.902 53.859 54.840 -0.131 0.000 0.820 313 L CB 1.776 43.778 42.059 -0.094 0.000 1.352 313 L HN 0.861 nan 8.230 nan 0.000 0.421 314 L N 2.267 123.424 121.223 -0.109 0.000 2.372 314 L HA 0.486 4.846 4.340 0.033 0.000 0.273 314 L C -0.745 176.073 176.870 -0.086 0.000 0.989 314 L CA -0.645 54.135 54.840 -0.100 0.000 0.841 314 L CB 1.900 43.896 42.059 -0.104 0.000 1.225 314 L HN 0.514 nan 8.230 nan 0.000 0.414 315 V N 2.922 122.785 119.914 -0.086 0.000 2.488 315 V HA 0.102 4.241 4.120 0.033 0.000 0.277 315 V C 0.142 176.216 176.094 -0.033 0.000 1.046 315 V CA -0.393 61.868 62.300 -0.065 0.000 0.986 315 V CB 1.233 32.976 31.823 -0.133 0.000 0.989 315 V HN 0.589 nan 8.190 nan 0.000 0.475 316 D N 4.348 124.747 120.400 -0.001 0.000 2.316 316 D HA 0.233 4.893 4.640 0.033 0.000 0.245 316 D C 0.431 176.771 176.300 0.066 0.000 1.171 316 D CA -0.038 53.969 54.000 0.012 0.000 0.856 316 D CB 1.388 42.191 40.800 0.005 0.000 1.090 316 D HN 0.469 nan 8.370 nan 0.000 0.476 317 L N 3.919 125.177 121.223 0.058 0.000 2.628 317 L HA 0.222 4.582 4.340 0.033 0.000 0.229 317 L C 2.270 179.182 176.870 0.071 0.000 1.137 317 L CA -0.209 54.687 54.840 0.093 0.000 0.909 317 L CB 0.147 42.249 42.059 0.073 0.000 1.137 317 L HN 0.275 nan 8.230 nan 0.000 0.470 318 R N 0.985 121.516 120.500 0.052 0.000 2.083 318 R HA -0.141 4.219 4.340 0.033 0.000 0.237 318 R C -0.404 175.916 176.300 0.034 0.000 1.137 318 R CA 1.647 57.770 56.100 0.039 0.000 0.951 318 R CB -1.284 29.036 30.300 0.034 0.000 0.851 318 R HN 0.319 nan 8.270 nan 0.000 0.434 319 P HA -0.113 nan 4.420 nan 0.000 0.220 319 P C 0.546 177.850 177.300 0.007 0.000 1.148 319 P CA 1.247 64.355 63.100 0.014 0.000 0.803 319 P CB 0.117 31.820 31.700 0.005 0.000 0.782 320 Q N -0.580 119.238 119.800 0.030 0.000 2.482 320 Q HA 0.017 4.376 4.340 0.033 0.000 0.209 320 Q C 0.436 176.456 176.000 0.033 0.000 0.961 320 Q CA 0.362 56.184 55.803 0.032 0.000 0.945 320 Q CB -0.588 28.210 28.738 0.102 0.000 1.012 320 Q HN 0.149 nan 8.270 nan 0.000 0.515 321 Q N -0.889 118.929 119.800 0.029 0.000 2.468 321 Q HA -0.212 4.148 4.340 0.033 0.000 0.289 321 Q C -0.915 175.102 176.000 0.029 0.000 1.299 321 Q CA 0.864 56.682 55.803 0.024 0.000 0.838 321 Q CB -2.416 26.331 28.738 0.015 0.000 1.195 321 Q HN 0.368 nan 8.270 nan 0.000 0.456 322 L N -0.615 120.631 121.223 0.038 0.000 2.393 322 L HA 0.594 4.953 4.340 0.033 0.000 0.260 322 L C 0.715 177.604 176.870 0.032 0.000 1.002 322 L CA -0.744 54.119 54.840 0.037 0.000 0.818 322 L CB 2.087 44.176 42.059 0.050 0.000 1.369 322 L HN 0.151 nan 8.230 nan 0.000 0.412 323 T N -2.396 112.173 114.554 0.024 0.000 2.902 323 T HA 0.322 4.692 4.350 0.033 0.000 0.280 323 T C 1.166 175.874 174.700 0.014 0.000 0.992 323 T CA -0.072 62.039 62.100 0.018 0.000 1.015 323 T CB 1.642 70.519 68.868 0.013 0.000 1.044 323 T HN 0.704 nan 8.240 nan 0.000 0.520 324 G N -0.027 108.778 108.800 0.007 0.000 2.432 324 G HA2 -0.177 3.802 3.960 0.033 0.000 0.219 324 G HA3 -0.177 3.802 3.960 0.033 0.000 0.219 324 G C 1.371 176.272 174.900 0.000 0.000 1.135 324 G CA 0.645 45.745 45.100 -0.000 0.000 0.767 324 G HN 0.799 nan 8.290 nan 0.000 0.550 325 K N -0.295 120.107 120.400 0.003 0.000 2.057 325 K HA -0.078 4.262 4.320 0.033 0.000 0.207 325 K C 2.618 179.221 176.600 0.006 0.000 1.049 325 K CA 1.592 57.881 56.287 0.004 0.000 0.931 325 K CB -0.153 32.349 32.500 0.004 0.000 0.714 325 K HN 0.273 nan 8.250 nan 0.000 0.440 326 T N 0.588 115.148 114.554 0.010 0.000 2.701 326 T HA -0.087 4.283 4.350 0.033 0.000 0.263 326 T C 1.840 176.548 174.700 0.013 0.000 1.040 326 T CA 1.261 63.369 62.100 0.013 0.000 1.147 326 T CB -0.307 68.572 68.868 0.017 0.000 0.865 326 T HN 0.369 nan 8.240 nan 0.000 0.426 327 A N 1.466 124.295 122.820 0.014 0.000 1.892 327 A HA -0.226 4.113 4.320 0.033 0.000 0.218 327 A C 2.211 179.795 177.584 -0.000 0.000 1.188 327 A CA 2.209 54.252 52.037 0.010 0.000 0.631 327 A CB -0.749 18.253 19.000 0.004 0.000 0.822 327 A HN 0.640 nan 8.150 nan 0.000 0.447 328 E N -0.378 119.820 120.200 -0.003 0.000 2.051 328 E HA -0.254 4.116 4.350 0.033 0.000 0.192 328 E C 2.165 178.766 176.600 0.001 0.000 0.991 328 E CA 1.595 57.992 56.400 -0.005 0.000 0.799 328 E CB -0.170 29.527 29.700 -0.005 0.000 0.748 328 E HN 0.623 nan 8.360 nan 0.000 0.449 329 K N 0.187 120.590 120.400 0.004 0.000 2.026 329 K HA -0.122 4.218 4.320 0.033 0.000 0.208 329 K C 2.110 178.715 176.600 0.009 0.000 1.048 329 K CA 1.434 57.725 56.287 0.006 0.000 0.929 329 K CB 0.037 32.542 32.500 0.007 0.000 0.713 329 K HN 0.065 nan 8.250 nan 0.000 0.439 330 V N 1.732 121.653 119.914 0.011 0.000 2.427 330 V HA -0.221 3.918 4.120 0.033 0.000 0.248 330 V C 2.315 178.418 176.094 0.015 0.000 1.051 330 V CA 1.396 63.706 62.300 0.015 0.000 1.048 330 V CB -0.333 31.503 31.823 0.020 0.000 0.666 330 V HN 0.295 nan 8.190 nan 0.000 0.456 331 L N -0.097 121.133 121.223 0.011 0.000 2.141 331 L HA -0.147 4.213 4.340 0.033 0.000 0.209 331 L C 2.353 179.229 176.870 0.009 0.000 1.094 331 L CA 1.533 56.379 54.840 0.009 0.000 0.763 331 L CB -0.536 41.521 42.059 -0.003 0.000 0.908 331 L HN 0.339 nan 8.230 nan 0.000 0.437 332 D N 0.184 120.588 120.400 0.008 0.000 2.178 332 D HA -0.185 4.475 4.640 0.033 0.000 0.202 332 D C 2.047 178.354 176.300 0.012 0.000 0.974 332 D CA 1.072 55.078 54.000 0.009 0.000 0.841 332 D CB 0.200 41.004 40.800 0.007 0.000 0.953 332 D HN 0.297 nan 8.370 nan 0.000 0.478 333 E N -0.457 119.750 120.200 0.012 0.000 2.077 333 E HA -0.149 4.221 4.350 0.033 0.000 0.193 333 E C 2.192 178.800 176.600 0.015 0.000 0.989 333 E CA 1.490 57.897 56.400 0.013 0.000 0.800 333 E CB 0.083 29.791 29.700 0.013 0.000 0.746 333 E HN 0.350 nan 8.360 nan 0.000 0.452 334 V N -3.771 116.153 119.914 0.017 0.000 3.235 334 V HA 0.325 4.464 4.120 0.033 0.000 0.259 334 V C 1.382 177.489 176.094 0.022 0.000 1.133 334 V CA 1.084 63.396 62.300 0.020 0.000 1.128 334 V CB 0.434 32.270 31.823 0.022 0.000 0.757 334 V HN 0.334 nan 8.190 nan 0.000 0.469 335 G N 0.298 109.110 108.800 0.021 0.000 2.485 335 G HA2 -0.063 3.917 3.960 0.033 0.000 0.181 335 G HA3 -0.063 3.917 3.960 0.033 0.000 0.181 335 G C -0.108 174.806 174.900 0.023 0.000 0.999 335 G CA -0.108 45.006 45.100 0.023 0.000 0.721 335 G HN 0.471 nan 8.290 nan 0.000 0.486 336 I N 3.012 123.593 120.570 0.019 0.000 2.297 336 I HA 0.354 4.544 4.170 0.033 0.000 0.291 336 I C -0.072 176.048 176.117 0.005 0.000 1.033 336 I CA -0.186 61.122 61.300 0.012 0.000 1.253 336 I CB 1.517 39.521 38.000 0.007 0.000 1.396 336 I HN -0.059 nan 8.210 nan 0.000 0.476 337 T N 6.877 121.434 114.554 0.005 0.000 2.738 337 T HA 0.469 4.838 4.350 0.033 0.000 0.298 337 T C 0.224 174.919 174.700 -0.010 0.000 0.962 337 T CA -0.468 61.633 62.100 0.002 0.000 0.972 337 T CB 0.905 69.779 68.868 0.011 0.000 0.928 337 T HN 0.438 nan 8.240 nan 0.000 0.474 338 V N 1.381 121.287 119.914 -0.013 0.000 3.165 338 V HA 0.790 4.929 4.120 0.033 0.000 0.307 338 V C -0.896 175.191 176.094 -0.012 0.000 1.281 338 V CA -1.324 60.964 62.300 -0.020 0.000 1.056 338 V CB 2.112 33.914 31.823 -0.035 0.000 1.178 338 V HN 0.845 nan 8.190 nan 0.000 0.475 339 N N -0.193 118.500 118.700 -0.012 0.000 2.310 339 N HA 0.292 5.052 4.740 0.033 0.000 0.292 339 N C -0.941 174.563 175.510 -0.011 0.000 1.049 339 N CA -0.741 52.306 53.050 -0.005 0.000 0.849 339 N CB 2.388 40.880 38.487 0.009 0.000 1.532 339 N HN 0.969 nan 8.380 nan 0.000 0.479 340 K N 1.549 121.944 120.400 -0.009 0.000 2.511 340 K HA 0.031 4.371 4.320 0.033 0.000 0.280 340 K C -0.943 175.650 176.600 -0.010 0.000 1.008 340 K CA 0.162 56.443 56.287 -0.010 0.000 1.050 340 K CB 0.168 32.665 32.500 -0.006 0.000 0.889 340 K HN 0.642 nan 8.250 nan 0.000 0.484 341 N N 1.023 119.712 118.700 -0.017 0.000 2.287 341 N HA 0.094 4.854 4.740 0.033 0.000 0.289 341 N C -1.729 173.767 175.510 -0.023 0.000 1.066 341 N CA -0.553 52.486 53.050 -0.019 0.000 0.841 341 N CB 2.318 40.790 38.487 -0.026 0.000 1.599 341 N HN 0.693 nan 8.380 nan 0.000 0.476 342 T N 2.762 117.303 114.554 -0.021 0.000 2.851 342 T HA 0.400 4.770 4.350 0.033 0.000 0.298 342 T C 0.281 174.960 174.700 -0.034 0.000 0.977 342 T CA -0.433 61.654 62.100 -0.022 0.000 1.126 342 T CB -0.219 68.638 68.868 -0.019 0.000 0.916 342 T HN 0.397 nan 8.240 nan 0.000 0.529 343 I N 3.136 123.682 120.570 -0.039 0.000 2.783 343 I HA 0.628 4.817 4.170 0.033 0.000 0.312 343 I C -2.623 173.443 176.117 -0.085 0.000 0.988 343 I CA -3.459 57.796 61.300 -0.074 0.000 1.182 343 I CB 1.031 38.982 38.000 -0.081 0.000 1.368 343 I HN 0.337 nan 8.210 nan 0.000 0.511 344 P HA 0.014 nan 4.420 nan 0.000 0.261 344 P C -1.235 176.022 177.300 -0.071 0.000 1.183 344 P CA 0.710 63.622 63.100 -0.314 0.000 0.761 344 P CB -0.253 31.244 31.700 -0.338 0.000 0.785 345 Y N -0.253 120.023 120.300 -0.040 0.000 3.929 345 Y HA -0.267 4.303 4.550 0.033 0.000 0.225 345 Y C 0.849 176.764 175.900 0.025 0.000 1.200 345 Y CA 0.250 58.375 58.100 0.043 0.000 1.791 345 Y CB -2.369 36.112 38.460 0.035 0.000 1.561 345 Y HN 0.397 nan 8.280 nan 0.000 0.657 346 D N 1.594 122.052 120.400 0.096 0.000 2.472 346 D HA 0.008 4.668 4.640 0.033 0.000 0.248 346 D C -1.148 175.191 176.300 0.065 0.000 1.174 346 D CA -0.900 53.136 54.000 0.060 0.000 0.883 346 D CB 1.170 41.983 40.800 0.022 0.000 1.149 346 D HN 0.134 nan 8.370 nan 0.000 0.488 347 P HA -0.010 nan 4.420 nan 0.000 0.230 347 P C -0.186 177.134 177.300 0.033 0.000 1.158 347 P CA 0.773 63.902 63.100 0.048 0.000 0.769 347 P CB 0.375 32.099 31.700 0.041 0.000 0.807 348 E N -0.563 119.652 120.200 0.026 0.000 2.221 348 E HA 0.291 4.660 4.350 0.033 0.000 0.268 348 E C 0.072 176.678 176.600 0.010 0.000 0.933 348 E CA -0.536 55.874 56.400 0.016 0.000 0.809 348 E CB 1.704 31.412 29.700 0.012 0.000 1.190 348 E HN -0.031 nan 8.360 nan 0.000 0.406 349 S N 1.276 116.978 115.700 0.004 0.000 2.585 349 S HA 0.173 4.663 4.470 0.033 0.000 0.273 349 S C -1.631 172.965 174.600 -0.008 0.000 1.339 349 S CA -0.968 57.230 58.200 -0.004 0.000 1.028 349 S CB 0.785 63.981 63.200 -0.005 0.000 0.906 349 S HN 0.258 nan 8.310 nan 0.000 0.528 350 P HA 0.045 nan 4.420 nan 0.000 0.240 350 P C 0.954 178.244 177.300 -0.016 0.000 1.186 350 P CA 1.004 64.092 63.100 -0.020 0.000 0.755 350 P CB -0.713 30.966 31.700 -0.034 0.000 0.870 351 G N -1.050 107.743 108.800 -0.011 0.000 2.784 351 G HA2 0.096 4.076 3.960 0.033 0.000 0.208 351 G HA3 0.096 4.076 3.960 0.033 0.000 0.208 351 G C 1.249 176.147 174.900 -0.004 0.000 1.120 351 G CA 0.123 45.219 45.100 -0.008 0.000 0.774 351 G HN 0.175 nan 8.290 nan 0.000 0.528 352 V N 0.677 120.590 119.914 -0.002 0.000 2.602 352 V HA 0.206 4.346 4.120 0.033 0.000 0.235 352 V C 1.263 177.358 176.094 0.001 0.000 1.087 352 V CA 1.371 63.672 62.300 0.001 0.000 1.117 352 V CB -0.726 31.099 31.823 0.004 0.000 0.820 352 V HN 0.797 nan 8.190 nan 0.000 0.490 353 T N -0.893 113.661 114.554 0.001 0.000 0.541 353 T HA -0.222 4.147 4.350 0.033 0.000 0.774 353 T C 0.098 174.800 174.700 0.003 0.000 0.992 353 T CA 0.331 62.431 62.100 -0.001 0.000 4.077 353 T CB -1.457 67.407 68.868 -0.007 0.000 2.303 353 T HN 0.349 nan 8.240 nan 0.000 0.398 354 S N 1.846 117.548 115.700 0.003 0.000 2.574 354 S HA 0.622 5.112 4.470 0.033 0.000 0.242 354 S C 0.826 175.428 174.600 0.003 0.000 0.982 354 S CA -0.023 58.182 58.200 0.009 0.000 0.977 354 S CB 0.428 63.637 63.200 0.015 0.000 0.814 354 S HN 1.328 nan 8.310 nan 0.000 0.464 355 G N 1.402 110.197 108.800 -0.008 0.000 2.550 355 G HA2 0.634 4.613 3.960 0.033 0.000 0.293 355 G HA3 0.634 4.613 3.960 0.033 0.000 0.293 355 G C -1.727 173.155 174.900 -0.030 0.000 1.402 355 G CA -0.847 44.242 45.100 -0.019 0.000 0.784 355 G HN 0.306 nan 8.290 nan 0.000 0.482 356 I N -2.288 118.252 120.570 -0.050 0.000 2.647 356 I HA 0.802 4.991 4.170 0.033 0.000 0.295 356 I C -0.464 175.610 176.117 -0.071 0.000 1.078 356 I CA -1.214 60.052 61.300 -0.058 0.000 1.048 356 I CB 2.571 40.529 38.000 -0.070 0.000 1.239 356 I HN 0.485 nan 8.210 nan 0.000 0.421 357 R N 5.502 125.967 120.500 -0.058 0.000 2.294 357 R HA 0.731 5.091 4.340 0.033 0.000 0.319 357 R C -1.467 174.796 176.300 -0.062 0.000 0.984 357 R CA -0.561 55.500 56.100 -0.064 0.000 0.861 357 R CB 1.211 31.483 30.300 -0.046 0.000 1.104 357 R HN 0.773 nan 8.270 nan 0.000 0.451 358 I N 2.761 123.283 120.570 -0.081 0.000 2.474 358 I HA 0.452 4.641 4.170 0.033 0.000 0.294 358 I C 0.289 176.363 176.117 -0.071 0.000 1.005 358 I CA -0.841 60.416 61.300 -0.072 0.000 1.113 358 I CB 2.317 40.265 38.000 -0.086 0.000 1.289 358 I HN 0.703 nan 8.210 nan 0.000 0.436 359 G N 1.552 110.330 108.800 -0.037 0.000 2.542 359 G HA2 0.483 4.462 3.960 0.033 0.000 0.311 359 G HA3 0.483 4.462 3.960 0.033 0.000 0.311 359 G C 0.247 175.150 174.900 0.004 0.000 1.298 359 G CA -0.351 44.743 45.100 -0.010 0.000 0.973 359 G HN 0.640 nan 8.290 nan 0.000 0.487 360 T N -1.260 113.307 114.554 0.022 0.000 3.086 360 T HA 0.307 4.676 4.350 0.033 0.000 0.250 360 T C 2.207 176.924 174.700 0.029 0.000 1.074 360 T CA 1.077 63.188 62.100 0.019 0.000 0.988 360 T CB 0.617 69.493 68.868 0.013 0.000 0.988 360 T HN 0.628 nan 8.240 nan 0.000 0.530 361 A N 1.915 124.770 122.820 0.058 0.000 1.902 361 A HA 0.286 4.626 4.320 0.033 0.000 0.217 361 A C 2.710 180.360 177.584 0.109 0.000 1.181 361 A CA 1.708 53.796 52.037 0.085 0.000 0.623 361 A CB -1.315 17.754 19.000 0.115 0.000 0.818 361 A HN 0.684 nan 8.150 nan 0.000 0.443 362 A N -0.143 122.664 122.820 -0.021 0.000 1.873 362 A HA 0.028 4.367 4.320 0.033 0.000 0.215 362 A C 2.293 179.917 177.584 0.067 0.000 1.186 362 A CA 2.122 54.060 52.037 -0.164 0.000 0.616 362 A CB -1.216 17.506 19.000 -0.463 0.000 0.823 362 A HN 1.061 nan 8.150 nan 0.000 0.442 363 V N -2.551 117.359 119.914 -0.006 0.000 2.515 363 V HA -0.146 3.993 4.120 0.033 0.000 0.250 363 V C 2.180 178.277 176.094 0.005 0.000 1.058 363 V CA 2.452 64.663 62.300 -0.149 0.000 1.064 363 V CB -1.874 29.784 31.823 -0.274 0.000 0.675 363 V HN 0.409 nan 8.190 nan 0.000 0.461 364 T N 0.933 115.565 114.554 0.131 0.000 2.788 364 T HA -0.150 4.219 4.350 0.033 0.000 0.268 364 T C 1.941 176.838 174.700 0.328 0.000 1.044 364 T CA 2.214 64.445 62.100 0.218 0.000 1.139 364 T CB -0.617 68.322 68.868 0.118 0.000 0.867 364 T HN 0.673 nan 8.240 nan 0.000 0.454 365 T N 2.497 117.271 114.554 0.367 0.000 2.833 365 T HA -0.123 4.247 4.350 0.033 0.000 0.269 365 T C 1.720 176.525 174.700 0.176 0.000 1.054 365 T CA 1.042 63.281 62.100 0.231 0.000 1.135 365 T CB -0.216 68.771 68.868 0.199 0.000 0.869 365 T HN 0.603 nan 8.240 nan 0.000 0.466 366 R N 1.026 121.633 120.500 0.178 0.000 2.426 366 R HA 0.467 4.827 4.340 0.033 0.000 0.263 366 R C 1.258 177.703 176.300 0.241 0.000 0.961 366 R CA 0.359 56.526 56.100 0.110 0.000 1.086 366 R CB -0.168 30.097 30.300 -0.057 0.000 1.186 366 R HN 0.278 nan 8.270 nan 0.000 0.537 367 G N 0.563 109.526 108.800 0.272 0.000 2.141 367 G HA2 -0.267 3.712 3.960 0.033 0.000 0.231 367 G HA3 -0.267 3.712 3.960 0.033 0.000 0.231 367 G C -0.152 174.961 174.900 0.355 0.000 0.984 367 G CA -0.441 44.822 45.100 0.273 0.000 0.660 367 G HN 0.355 nan 8.290 nan 0.000 0.525 368 F N 0.894 120.881 119.950 0.061 0.000 2.412 368 F HA 0.519 5.066 4.527 0.033 0.000 0.348 368 F C 1.403 177.226 175.800 0.039 0.000 1.102 368 F CA 0.066 58.092 58.000 0.044 0.000 1.196 368 F CB 1.336 40.365 39.000 0.047 0.000 1.144 368 F HN 0.202 nan 8.300 nan 0.000 0.541 369 G N 2.289 111.165 108.800 0.127 0.000 3.209 369 G HA2 0.409 4.388 3.960 0.033 0.000 0.236 369 G HA3 0.409 4.388 3.960 0.033 0.000 0.236 369 G C 0.588 175.522 174.900 0.056 0.000 1.329 369 G CA -0.806 44.340 45.100 0.077 0.000 1.015 369 G HN 0.588 nan 8.290 nan 0.000 0.571 370 L N -0.400 120.842 121.223 0.032 0.000 2.012 370 L HA -0.079 4.281 4.340 0.033 0.000 0.210 370 L C 2.833 179.712 176.870 0.015 0.000 1.073 370 L CA 1.598 56.453 54.840 0.024 0.000 0.748 370 L CB -0.467 41.602 42.059 0.016 0.000 0.891 370 L HN 0.510 nan 8.230 nan 0.000 0.431 371 E N 0.136 120.334 120.200 -0.003 0.000 2.153 371 E HA -0.223 4.146 4.350 0.033 0.000 0.194 371 E C 2.050 178.632 176.600 -0.031 0.000 0.988 371 E CA 1.068 57.457 56.400 -0.018 0.000 0.811 371 E CB -0.121 29.560 29.700 -0.033 0.000 0.746 371 E HN 0.405 nan 8.360 nan 0.000 0.466 372 E N -0.250 119.922 120.200 -0.046 0.000 2.107 372 E HA -0.059 4.311 4.350 0.033 0.000 0.191 372 E C 1.731 178.359 176.600 0.047 0.000 0.982 372 E CA 0.775 57.133 56.400 -0.070 0.000 0.809 372 E CB -0.005 29.569 29.700 -0.210 0.000 0.756 372 E HN 0.168 nan 8.360 nan 0.000 0.459 373 M N 0.834 120.478 119.600 0.073 0.000 2.159 373 M HA -0.139 4.361 4.480 0.033 0.000 0.263 373 M C 1.191 177.523 176.300 0.053 0.000 1.063 373 M CA 1.305 56.653 55.300 0.079 0.000 1.110 373 M CB -0.778 31.860 32.600 0.063 0.000 1.374 373 M HN 0.070 nan 8.290 nan 0.000 0.411 374 D N 0.109 120.530 120.400 0.036 0.000 2.117 374 D HA -0.185 4.474 4.640 0.033 0.000 0.197 374 D C 1.980 178.300 176.300 0.034 0.000 0.987 374 D CA 1.320 55.338 54.000 0.031 0.000 0.829 374 D CB -0.158 40.653 40.800 0.019 0.000 0.961 374 D HN 0.382 nan 8.370 nan 0.000 0.460 375 E N 0.699 120.916 120.200 0.027 0.000 2.107 375 E HA -0.055 4.315 4.350 0.033 0.000 0.191 375 E C 2.183 178.811 176.600 0.047 0.000 0.982 375 E CA 0.431 56.847 56.400 0.027 0.000 0.809 375 E CB -0.284 29.418 29.700 0.004 0.000 0.756 375 E HN 0.262 nan 8.360 nan 0.000 0.459 376 I N 0.482 121.090 120.570 0.065 0.000 2.163 376 I HA -0.304 3.886 4.170 0.033 0.000 0.243 376 I C 2.361 178.505 176.117 0.046 0.000 1.085 376 I CA 1.260 62.603 61.300 0.070 0.000 1.347 376 I CB -0.453 37.602 38.000 0.092 0.000 1.044 376 I HN 0.207 nan 8.210 nan 0.000 0.408 377 A N 0.577 123.424 122.820 0.046 0.000 1.933 377 A HA -0.126 4.214 4.320 0.033 0.000 0.218 377 A C 2.511 180.155 177.584 0.100 0.000 1.175 377 A CA 1.761 53.830 52.037 0.053 0.000 0.628 377 A CB -0.732 18.306 19.000 0.064 0.000 0.814 377 A HN 0.451 nan 8.150 nan 0.000 0.444 378 A N -0.101 122.768 122.820 0.082 0.000 1.930 378 A HA -0.016 4.324 4.320 0.033 0.000 0.217 378 A C 2.082 179.715 177.584 0.083 0.000 1.175 378 A CA 1.402 53.489 52.037 0.083 0.000 0.627 378 A CB -0.535 18.497 19.000 0.054 0.000 0.815 378 A HN 0.496 nan 8.150 nan 0.000 0.443 379 I N -0.438 120.171 120.570 0.066 0.000 2.202 379 I HA -0.229 3.960 4.170 0.033 0.000 0.242 379 I C 2.246 178.406 176.117 0.071 0.000 1.091 379 I CA 1.213 62.548 61.300 0.059 0.000 1.368 379 I CB -0.346 37.683 38.000 0.048 0.000 1.058 379 I HN 0.260 nan 8.210 nan 0.000 0.410 380 I N 0.911 121.518 120.570 0.061 0.000 2.208 380 I HA -0.256 3.934 4.170 0.033 0.000 0.245 380 I C 2.641 178.877 176.117 0.198 0.000 1.097 380 I CA 1.727 63.054 61.300 0.044 0.000 1.363 380 I CB -0.843 37.099 38.000 -0.097 0.000 1.051 380 I HN 0.291 nan 8.210 nan 0.000 0.413 381 G N 0.887 109.866 108.800 0.299 0.000 2.433 381 G HA2 -0.275 3.705 3.960 0.033 0.000 0.216 381 G HA3 -0.275 3.705 3.960 0.033 0.000 0.216 381 G C 1.643 176.648 174.900 0.174 0.000 1.186 381 G CA 0.756 46.072 45.100 0.360 0.000 0.779 381 G HN 0.300 nan 8.290 nan 0.000 0.543 382 L N 0.646 121.937 121.223 0.112 0.000 2.081 382 L HA -0.083 4.277 4.340 0.033 0.000 0.212 382 L C 2.808 179.720 176.870 0.068 0.000 1.080 382 L CA 1.591 56.472 54.840 0.068 0.000 0.754 382 L CB -0.300 41.791 42.059 0.052 0.000 0.893 382 L HN 0.094 nan 8.230 nan 0.000 0.433 383 V N -0.738 119.227 119.914 0.084 0.000 2.346 383 V HA -0.203 3.936 4.120 0.033 0.000 0.244 383 V C 2.290 178.435 176.094 0.085 0.000 1.037 383 V CA 1.753 64.095 62.300 0.070 0.000 1.029 383 V CB -0.322 31.535 31.823 0.058 0.000 0.663 383 V HN 0.411 nan 8.190 nan 0.000 0.454 384 L N -0.743 120.565 121.223 0.142 0.000 2.418 384 L HA 0.028 4.388 4.340 0.033 0.000 0.218 384 L C 2.104 179.047 176.870 0.120 0.000 1.125 384 L CA 0.980 55.920 54.840 0.166 0.000 0.835 384 L CB -0.339 41.899 42.059 0.297 0.000 0.953 384 L HN 0.267 nan 8.230 nan 0.000 0.454 385 K N 0.179 120.627 120.400 0.080 0.000 2.367 385 K HA 0.099 4.439 4.320 0.033 0.000 0.194 385 K C -0.186 176.421 176.600 0.012 0.000 1.027 385 K CA 0.172 56.464 56.287 0.008 0.000 1.075 385 K CB 0.279 32.749 32.500 -0.049 0.000 0.845 385 K HN 0.252 nan 8.250 nan 0.000 0.529 386 N N 0.546 119.263 118.700 0.029 0.000 2.752 386 N HA 0.009 4.769 4.740 0.033 0.000 0.260 386 N C 0.233 175.760 175.510 0.027 0.000 1.562 386 N CA -0.149 52.914 53.050 0.022 0.000 0.788 386 N CB 1.752 40.251 38.487 0.019 0.000 1.192 386 N HN -0.169 nan 8.380 nan 0.000 0.503 387 V N 0.998 120.928 119.914 0.027 0.000 2.237 387 V HA -0.071 4.068 4.120 0.033 0.000 0.245 387 V C 1.796 177.903 176.094 0.022 0.000 1.046 387 V CA 2.450 64.767 62.300 0.028 0.000 1.007 387 V CB -0.471 31.369 31.823 0.028 0.000 0.638 387 V HN 0.603 nan 8.190 nan 0.000 0.445 388 G N -0.889 107.921 108.800 0.017 0.000 2.985 388 G HA2 -0.012 3.967 3.960 0.033 0.000 0.209 388 G HA3 -0.012 3.967 3.960 0.033 0.000 0.209 388 G C 0.896 175.804 174.900 0.013 0.000 1.165 388 G CA 0.715 45.823 45.100 0.014 0.000 0.776 388 G HN 0.555 nan 8.290 nan 0.000 0.541 389 S N 0.264 115.972 115.700 0.014 0.000 2.443 389 S HA 0.141 4.631 4.470 0.033 0.000 0.284 389 S C 1.251 175.859 174.600 0.013 0.000 1.206 389 S CA -0.257 57.950 58.200 0.012 0.000 1.074 389 S CB 0.715 63.923 63.200 0.012 0.000 0.963 389 S HN 0.471 nan 8.310 nan 0.000 0.501 390 E N 3.143 123.350 120.200 0.011 0.000 2.204 390 E HA -0.158 4.211 4.350 0.033 0.000 0.194 390 E C 1.841 178.448 176.600 0.011 0.000 0.989 390 E CA 0.758 57.165 56.400 0.011 0.000 0.824 390 E CB 0.067 29.773 29.700 0.009 0.000 0.756 390 E HN 0.690 nan 8.360 nan 0.000 0.477 391 Q N 0.331 120.137 119.800 0.011 0.000 2.046 391 Q HA -0.083 4.276 4.340 0.033 0.000 0.200 391 Q C 1.973 177.980 176.000 0.013 0.000 0.975 391 Q CA 1.702 57.512 55.803 0.011 0.000 0.836 391 Q CB -0.176 28.568 28.738 0.009 0.000 0.896 391 Q HN 0.264 nan 8.270 nan 0.000 0.428 392 A N -0.123 122.706 122.820 0.015 0.000 1.930 392 A HA -0.125 4.215 4.320 0.033 0.000 0.217 392 A C 2.004 179.601 177.584 0.021 0.000 1.175 392 A CA 1.241 53.289 52.037 0.019 0.000 0.627 392 A CB -0.733 18.280 19.000 0.021 0.000 0.815 392 A HN 0.456 nan 8.150 nan 0.000 0.443 393 L N -0.569 120.665 121.223 0.020 0.000 2.046 393 L HA -0.136 4.224 4.340 0.033 0.000 0.208 393 L C 2.268 179.149 176.870 0.018 0.000 1.077 393 L CA 2.468 57.320 54.840 0.020 0.000 0.747 393 L CB -0.248 41.822 42.059 0.018 0.000 0.896 393 L HN 0.409 nan 8.230 nan 0.000 0.432 394 E N -0.449 119.760 120.200 0.016 0.000 2.112 394 E HA -0.208 4.161 4.350 0.033 0.000 0.190 394 E C 2.109 178.717 176.600 0.015 0.000 0.979 394 E CA 1.055 57.463 56.400 0.014 0.000 0.814 394 E CB -0.066 29.641 29.700 0.012 0.000 0.762 394 E HN 0.556 nan 8.360 nan 0.000 0.460 395 E N -0.362 119.848 120.200 0.015 0.000 2.077 395 E HA -0.205 4.165 4.350 0.033 0.000 0.193 395 E C 1.882 178.493 176.600 0.019 0.000 0.989 395 E CA 0.979 57.389 56.400 0.016 0.000 0.800 395 E CB -0.128 29.581 29.700 0.015 0.000 0.746 395 E HN 0.289 nan 8.360 nan 0.000 0.452 396 A N 1.457 124.290 122.820 0.022 0.000 1.908 396 A HA -0.232 4.108 4.320 0.033 0.000 0.218 396 A C 2.174 179.773 177.584 0.025 0.000 1.181 396 A CA 1.777 53.830 52.037 0.026 0.000 0.627 396 A CB -0.585 18.433 19.000 0.030 0.000 0.818 396 A HN 0.230 nan 8.150 nan 0.000 0.445 397 R N -0.568 119.945 120.500 0.021 0.000 2.081 397 R HA -0.180 4.179 4.340 0.033 0.000 0.235 397 R C 2.397 178.709 176.300 0.019 0.000 1.131 397 R CA 1.871 57.983 56.100 0.020 0.000 0.960 397 R CB -0.349 29.962 30.300 0.017 0.000 0.856 397 R HN 0.700 nan 8.270 nan 0.000 0.436 398 Q N -0.067 119.743 119.800 0.017 0.000 2.119 398 Q HA -0.164 4.196 4.340 0.033 0.000 0.201 398 Q C 1.982 177.990 176.000 0.014 0.000 0.972 398 Q CA 1.510 57.321 55.803 0.014 0.000 0.847 398 Q CB 0.131 28.876 28.738 0.012 0.000 0.903 398 Q HN 0.356 nan 8.270 nan 0.000 0.433 399 R N -0.812 119.698 120.500 0.017 0.000 2.090 399 R HA -0.046 4.313 4.340 0.033 0.000 0.228 399 R C 2.300 178.614 176.300 0.023 0.000 1.110 399 R CA 1.109 57.219 56.100 0.017 0.000 0.973 399 R CB -0.020 30.291 30.300 0.019 0.000 0.869 399 R HN 0.120 nan 8.270 nan 0.000 0.440 400 V N 0.942 120.875 119.914 0.031 0.000 2.358 400 V HA -0.208 3.932 4.120 0.033 0.000 0.246 400 V C 2.351 178.469 176.094 0.040 0.000 1.047 400 V CA 1.952 64.279 62.300 0.045 0.000 1.035 400 V CB -0.528 31.321 31.823 0.043 0.000 0.658 400 V HN 0.395 nan 8.190 nan 0.000 0.452 401 A N -0.100 122.736 122.820 0.027 0.000 1.972 401 A HA -0.071 4.269 4.320 0.033 0.000 0.219 401 A C 2.385 179.978 177.584 0.015 0.000 1.169 401 A CA 1.854 53.904 52.037 0.021 0.000 0.635 401 A CB -0.614 18.398 19.000 0.018 0.000 0.810 401 A HN 0.560 nan 8.150 nan 0.000 0.446 402 A N -0.447 122.379 122.820 0.010 0.000 1.969 402 A HA 0.038 4.377 4.320 0.033 0.000 0.218 402 A C 2.145 179.717 177.584 -0.019 0.000 1.169 402 A CA 1.335 53.370 52.037 -0.004 0.000 0.635 402 A CB -0.451 18.544 19.000 -0.007 0.000 0.810 402 A HN 0.467 nan 8.150 nan 0.000 0.445 403 L N -0.377 120.841 121.223 -0.009 0.000 2.023 403 L HA -0.134 4.226 4.340 0.033 0.000 0.205 403 L C 3.046 179.923 176.870 0.012 0.000 1.073 403 L CA 1.874 56.693 54.840 -0.036 0.000 0.745 403 L CB -0.635 41.446 42.059 0.036 0.000 0.900 403 L HN 0.627 nan 8.230 nan 0.000 0.435 404 T N -4.190 110.403 114.554 0.064 0.000 3.023 404 T HA -0.088 4.282 4.350 0.033 0.000 0.266 404 T C 0.884 175.558 174.700 -0.043 0.000 1.093 404 T CA 0.004 62.111 62.100 0.012 0.000 1.129 404 T CB -0.290 68.552 68.868 -0.044 0.000 0.899 404 T HN 0.204 nan 8.240 nan 0.000 0.491 405 D N 0.000 120.400 120.400 -0.001 0.000 6.856 405 D HA 0.000 4.660 4.640 0.033 0.000 0.175 405 D CA 0.000 54.013 54.000 0.021 0.000 0.868 405 D CB 0.000 40.804 40.800 0.007 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683