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 2o78_1_F DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.610 176.600 0.017 0.000 0.988 8 K CA 0.000 56.298 56.287 0.019 0.000 0.838 8 K CB 0.000 32.514 32.500 0.024 0.000 1.064 9 P HA 0.166 nan 4.420 nan 0.000 0.267 9 P C -1.258 176.051 177.300 0.014 0.000 1.200 9 P CA -0.182 62.929 63.100 0.018 0.000 0.772 9 P CB 0.612 32.326 31.700 0.023 0.000 0.855 10 A N 2.054 124.881 122.820 0.011 0.000 2.350 10 A HA 0.570 4.890 4.320 0.000 0.000 0.324 10 A C -0.898 176.689 177.584 0.006 0.000 1.118 10 A CA -0.602 51.440 52.037 0.007 0.000 0.783 10 A CB 1.182 20.185 19.000 0.005 0.000 1.236 10 A HN 0.346 nan 8.150 nan 0.000 0.457 11 V N 2.295 122.209 119.914 0.001 0.000 2.347 11 V HA 0.293 4.413 4.120 0.000 0.000 0.280 11 V C 0.181 176.272 176.094 -0.004 0.000 1.021 11 V CA -0.359 61.940 62.300 -0.001 0.000 0.847 11 V CB 1.257 33.075 31.823 -0.009 0.000 0.990 11 V HN 0.972 nan 8.190 nan 0.000 0.444 12 E N 4.499 124.699 120.200 0.000 0.000 2.130 12 E HA 0.354 4.704 4.350 0.000 0.000 0.284 12 E C -0.929 175.670 176.600 -0.002 0.000 1.018 12 E CA -0.789 55.610 56.400 -0.000 0.000 0.817 12 E CB 1.263 30.965 29.700 0.004 0.000 1.078 12 E HN 0.555 nan 8.360 nan 0.000 0.396 13 L N 5.697 126.915 121.223 -0.008 0.000 2.261 13 L HA 0.258 4.599 4.340 0.000 0.000 0.289 13 L C -0.170 176.697 176.870 -0.004 0.000 1.059 13 L CA 0.456 55.289 54.840 -0.011 0.000 0.816 13 L CB 1.024 43.070 42.059 -0.022 0.000 1.191 13 L HN 0.710 nan 8.230 nan 0.000 0.431 14 D N 3.033 123.437 120.400 0.006 0.000 3.094 14 D HA 0.164 4.804 4.640 0.000 0.000 0.267 14 D C 1.361 177.670 176.300 0.015 0.000 1.542 14 D CA 0.923 54.929 54.000 0.011 0.000 1.157 14 D CB 0.682 41.492 40.800 0.018 0.000 1.098 14 D HN 0.585 nan 8.370 nan 0.000 0.340 15 R N -1.875 118.645 120.500 0.034 0.000 2.320 15 R HA 0.226 4.566 4.340 0.000 0.000 0.193 15 R C 0.165 176.510 176.300 0.075 0.000 0.885 15 R CA -0.191 55.936 56.100 0.045 0.000 1.085 15 R CB 0.668 30.997 30.300 0.050 0.000 1.253 15 R HN 0.197 nan 8.270 nan 0.000 0.636 16 H N 0.301 119.364 119.070 -0.012 0.000 2.572 16 H HA 0.576 5.133 4.556 0.000 0.000 0.359 16 H C -1.455 173.867 175.328 -0.011 0.000 1.134 16 H CA -0.730 55.310 56.048 -0.013 0.000 1.187 16 H CB 1.588 31.343 29.762 -0.012 0.000 1.597 16 H HN 0.010 nan 8.280 nan 0.000 0.524 17 I N 4.271 124.507 120.570 -0.557 0.000 2.619 17 I HA 0.268 4.438 4.170 0.000 0.000 0.292 17 I C -1.195 174.652 176.117 -0.449 0.000 1.100 17 I CA -0.860 60.251 61.300 -0.315 0.000 1.043 17 I CB 1.544 39.438 38.000 -0.176 0.000 1.239 17 I HN 0.849 nan 8.210 nan 0.000 0.420 18 D N 6.044 126.350 120.400 -0.157 0.000 2.423 18 D HA 0.222 4.862 4.640 0.000 0.000 0.255 18 D C 0.984 177.261 176.300 -0.038 0.000 1.174 18 D CA -0.570 53.397 54.000 -0.055 0.000 1.008 18 D CB 0.958 41.801 40.800 0.072 0.000 1.101 18 D HN 0.507 nan 8.370 nan 0.000 0.516 19 L N -0.425 120.800 121.223 0.002 0.000 2.083 19 L HA -0.135 4.205 4.340 0.000 0.000 0.209 19 L C 1.459 178.370 176.870 0.069 0.000 1.083 19 L CA 1.317 56.175 54.840 0.030 0.000 0.752 19 L CB -0.473 41.614 42.059 0.048 0.000 0.899 19 L HN 0.434 nan 8.230 nan 0.000 0.433 20 D N -0.159 120.282 120.400 0.068 0.000 2.117 20 D HA -0.168 4.472 4.640 0.000 0.000 0.198 20 D C 2.327 178.673 176.300 0.078 0.000 0.982 20 D CA 1.072 55.130 54.000 0.096 0.000 0.828 20 D CB -0.090 40.756 40.800 0.077 0.000 0.967 20 D HN 0.411 nan 8.370 nan 0.000 0.464 21 Q N 0.315 120.140 119.800 0.041 0.000 2.119 21 Q HA -0.036 4.304 4.340 0.000 0.000 0.201 21 Q C 2.199 178.199 176.000 -0.001 0.000 0.972 21 Q CA 1.280 57.093 55.803 0.018 0.000 0.847 21 Q CB -0.063 28.675 28.738 0.000 0.000 0.903 21 Q HN 0.198 nan 8.270 nan 0.000 0.433 22 A N 0.817 123.633 122.820 -0.007 0.000 1.898 22 A HA -0.229 4.091 4.320 0.000 0.000 0.216 22 A C 1.955 179.519 177.584 -0.033 0.000 1.181 22 A CA 1.531 53.550 52.037 -0.030 0.000 0.620 22 A CB -0.781 18.200 19.000 -0.032 0.000 0.819 22 A HN 0.434 nan 8.150 nan 0.000 0.442 23 H N 0.019 119.042 119.070 -0.079 0.000 2.423 23 H HA 0.022 4.579 4.556 0.000 0.000 0.297 23 H C 2.245 177.491 175.328 -0.137 0.000 1.075 23 H CA 1.443 57.406 56.048 -0.141 0.000 1.342 23 H CB -0.151 29.448 29.762 -0.271 0.000 1.395 23 H HN 0.403 nan 8.280 nan 0.000 0.530 24 A N 0.503 123.317 122.820 -0.009 0.000 1.908 24 A HA -0.114 4.206 4.320 0.000 0.000 0.218 24 A C 2.831 180.374 177.584 -0.069 0.000 1.181 24 A CA 1.721 53.753 52.037 -0.008 0.000 0.627 24 A CB -0.867 18.154 19.000 0.035 0.000 0.818 24 A HN 0.293 nan 8.150 nan 0.000 0.445 25 V N -0.351 119.514 119.914 -0.083 0.000 2.323 25 V HA -0.171 3.949 4.120 0.000 0.000 0.244 25 V C 3.052 179.049 176.094 -0.162 0.000 1.041 25 V CA 1.760 64.005 62.300 -0.092 0.000 1.025 25 V CB -1.212 30.563 31.823 -0.080 0.000 0.656 25 V HN 0.606 nan 8.190 nan 0.000 0.451 26 A N 0.863 123.547 122.820 -0.227 0.000 1.908 26 A HA -0.206 4.114 4.320 0.000 0.000 0.218 26 A C 2.412 179.776 177.584 -0.366 0.000 1.181 26 A CA 2.287 54.135 52.037 -0.315 0.000 0.627 26 A CB -0.694 18.123 19.000 -0.305 0.000 0.818 26 A HN 0.692 nan 8.150 nan 0.000 0.445 27 S N -2.021 113.478 115.700 -0.335 0.000 2.603 27 S HA 0.364 4.834 4.470 0.000 0.000 0.220 27 S C 1.432 176.153 174.600 0.201 0.000 0.967 27 S CA 1.066 59.219 58.200 -0.079 0.000 0.920 27 S CB -0.301 62.755 63.200 -0.240 0.000 0.773 27 S HN 1.953 nan 8.310 nan 0.000 0.529 28 G N 0.359 109.206 108.800 0.079 0.000 2.179 28 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 28 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 28 G C 0.901 175.866 174.900 0.108 0.000 0.977 28 G CA 0.163 45.368 45.100 0.176 0.000 0.641 28 G HN 0.953 nan 8.290 nan 0.000 0.533 29 G N -0.128 108.712 108.800 0.067 0.000 2.448 29 G HA2 0.496 4.457 3.960 0.000 0.000 0.218 29 G HA3 0.496 4.457 3.960 0.000 0.000 0.218 29 G C 0.750 175.675 174.900 0.042 0.000 1.135 29 G CA 1.829 46.964 45.100 0.059 0.000 0.784 29 G HN 1.813 nan 8.290 nan 0.000 0.543 30 A N -0.260 122.575 122.820 0.025 0.000 2.413 30 A HA 0.755 5.075 4.320 0.000 0.000 0.307 30 A C 0.075 177.662 177.584 0.006 0.000 1.087 30 A CA -0.898 51.149 52.037 0.016 0.000 0.750 30 A CB 1.268 20.275 19.000 0.012 0.000 1.296 30 A HN 0.419 nan 8.150 nan 0.000 0.423 31 R N 0.981 121.485 120.500 0.006 0.000 2.553 31 R HA 0.813 5.153 4.340 0.000 0.000 0.263 31 R C -0.841 175.454 176.300 -0.009 0.000 1.066 31 R CA -0.528 55.572 56.100 -0.001 0.000 1.135 31 R CB 0.992 31.295 30.300 0.004 0.000 1.148 31 R HN 0.629 nan 8.270 nan 0.000 0.558 32 I N 1.305 121.866 120.570 -0.015 0.000 2.569 32 I HA 0.436 4.606 4.170 0.000 0.000 0.296 32 I C -1.092 175.016 176.117 -0.015 0.000 1.028 32 I CA -1.212 60.077 61.300 -0.019 0.000 1.082 32 I CB 2.219 40.200 38.000 -0.031 0.000 1.264 32 I HN 0.641 nan 8.210 nan 0.000 0.429 33 V N 5.109 125.015 119.914 -0.013 0.000 2.789 33 V HA 0.565 4.685 4.120 0.000 0.000 0.311 33 V C -1.251 174.836 176.094 -0.011 0.000 1.073 33 V CA -0.878 61.416 62.300 -0.010 0.000 0.921 33 V CB 1.714 33.533 31.823 -0.006 0.000 1.009 33 V HN 0.671 nan 8.190 nan 0.000 0.426 34 L N 4.758 125.974 121.223 -0.012 0.000 2.281 34 L HA 0.818 5.158 4.340 0.000 0.000 0.285 34 L C 0.798 177.664 176.870 -0.008 0.000 1.074 34 L CA 0.405 55.238 54.840 -0.012 0.000 0.817 34 L CB 0.676 42.726 42.059 -0.014 0.000 1.168 34 L HN 1.149 nan 8.230 nan 0.000 0.434 35 A N 6.823 129.640 122.820 -0.005 0.000 2.407 35 A HA 0.416 4.736 4.320 0.000 0.000 0.248 35 A C -1.614 175.968 177.584 -0.003 0.000 1.082 35 A CA -0.885 51.151 52.037 -0.002 0.000 0.785 35 A CB -0.264 18.736 19.000 0.001 0.000 1.020 35 A HN 0.787 nan 8.150 nan 0.000 0.489 36 P HA -0.162 nan 4.420 nan 0.000 0.216 36 P C -1.456 175.842 177.300 -0.003 0.000 1.154 36 P CA 1.900 64.998 63.100 -0.004 0.000 0.865 36 P CB -0.741 30.957 31.700 -0.002 0.000 0.789 37 P HA -0.140 nan 4.420 nan 0.000 0.217 37 P C 1.405 178.704 177.300 -0.001 0.000 1.150 37 P CA 1.949 65.049 63.100 -0.000 0.000 0.832 37 P CB -0.593 31.108 31.700 0.003 0.000 0.787 38 A N -0.243 122.576 122.820 -0.002 0.000 1.898 38 A HA -0.183 4.137 4.320 0.000 0.000 0.216 38 A C 2.401 179.980 177.584 -0.008 0.000 1.181 38 A CA 1.443 53.478 52.037 -0.003 0.000 0.620 38 A CB -1.136 17.861 19.000 -0.005 0.000 0.819 38 A HN 0.009 nan 8.150 nan 0.000 0.442 39 R N -0.270 120.225 120.500 -0.010 0.000 2.091 39 R HA -0.174 4.166 4.340 0.000 0.000 0.238 39 R C 1.318 177.609 176.300 -0.015 0.000 1.136 39 R CA 1.945 58.036 56.100 -0.014 0.000 0.959 39 R CB -0.309 29.983 30.300 -0.014 0.000 0.856 39 R HN 0.451 nan 8.270 nan 0.000 0.437 40 D N 0.056 120.450 120.400 -0.010 0.000 2.144 40 D HA -0.164 4.476 4.640 0.000 0.000 0.200 40 D C 1.977 178.272 176.300 -0.009 0.000 0.978 40 D CA 1.442 55.436 54.000 -0.010 0.000 0.833 40 D CB -0.185 40.612 40.800 -0.006 0.000 0.961 40 D HN 0.471 nan 8.370 nan 0.000 0.470 41 R N 0.281 120.778 120.500 -0.006 0.000 2.148 41 R HA 0.020 4.361 4.340 0.000 0.000 0.223 41 R C 2.003 178.300 176.300 -0.005 0.000 1.088 41 R CA 0.983 57.082 56.100 -0.002 0.000 0.985 41 R CB -0.788 29.514 30.300 0.003 0.000 0.880 41 R HN 0.077 nan 8.270 nan 0.000 0.451 42 C N 0.758 120.052 119.300 -0.011 0.000 2.475 42 C HA 0.174 4.634 4.460 0.000 0.000 0.279 42 C C 2.605 177.575 174.990 -0.033 0.000 1.322 42 C CA 0.316 59.323 59.018 -0.018 0.000 1.734 42 C CB -0.761 26.966 27.740 -0.022 0.000 2.005 42 C HN 0.526 nan 8.230 nan 0.000 0.495 43 R N 1.072 121.553 120.500 -0.032 0.000 2.096 43 R HA -0.088 4.252 4.340 0.000 0.000 0.235 43 R C 2.361 178.639 176.300 -0.037 0.000 1.127 43 R CA 1.559 57.636 56.100 -0.040 0.000 0.968 43 R CB -0.391 29.890 30.300 -0.031 0.000 0.861 43 R HN 0.538 nan 8.270 nan 0.000 0.440 44 A N 0.057 122.862 122.820 -0.025 0.000 1.898 44 A HA -0.157 4.163 4.320 0.000 0.000 0.216 44 A C 2.155 179.722 177.584 -0.029 0.000 1.181 44 A CA 1.723 53.748 52.037 -0.020 0.000 0.620 44 A CB -0.529 18.467 19.000 -0.008 0.000 0.819 44 A HN 0.284 nan 8.150 nan 0.000 0.442 45 S N -0.815 114.869 115.700 -0.026 0.000 2.383 45 S HA -0.188 4.282 4.470 0.000 0.000 0.227 45 S C 2.012 176.551 174.600 -0.102 0.000 1.026 45 S CA 1.550 59.728 58.200 -0.035 0.000 0.981 45 S CB -0.315 62.888 63.200 0.004 0.000 0.818 45 S HN 0.679 nan 8.310 nan 0.000 0.472 46 E N 0.361 120.506 120.200 -0.092 0.000 2.077 46 E HA -0.134 4.216 4.350 0.000 0.000 0.193 46 E C 2.064 178.597 176.600 -0.111 0.000 0.989 46 E CA 1.085 57.414 56.400 -0.118 0.000 0.800 46 E CB -0.344 29.287 29.700 -0.115 0.000 0.746 46 E HN 0.596 nan 8.360 nan 0.000 0.452 47 A N 1.116 123.889 122.820 -0.079 0.000 1.969 47 A HA -0.139 4.181 4.320 0.000 0.000 0.218 47 A C 2.125 179.662 177.584 -0.078 0.000 1.169 47 A CA 1.159 53.160 52.037 -0.059 0.000 0.635 47 A CB -0.359 18.619 19.000 -0.036 0.000 0.810 47 A HN 0.167 nan 8.150 nan 0.000 0.445 48 R N -1.206 119.234 120.500 -0.100 0.000 2.092 48 R HA -0.074 4.266 4.340 0.000 0.000 0.231 48 R C 2.088 178.250 176.300 -0.231 0.000 1.119 48 R CA 1.319 57.351 56.100 -0.114 0.000 0.970 48 R CB -0.514 29.743 30.300 -0.072 0.000 0.864 48 R HN 0.498 nan 8.270 nan 0.000 0.440 49 L N 0.535 121.531 121.223 -0.378 0.000 2.046 49 L HA -0.015 4.325 4.340 0.000 0.000 0.208 49 L C 2.125 178.860 176.870 -0.225 0.000 1.077 49 L CA 2.104 56.635 54.840 -0.514 0.000 0.747 49 L CB -1.031 40.724 42.059 -0.507 0.000 0.896 49 L HN 0.157 nan 8.230 nan 0.000 0.432 50 G N -0.998 107.723 108.800 -0.132 0.000 2.442 50 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 50 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 50 G C 1.566 176.440 174.900 -0.043 0.000 1.141 50 G CA 0.870 45.937 45.100 -0.056 0.000 0.763 50 G HN 0.656 nan 8.290 nan 0.000 0.554 51 A N -0.082 122.709 122.820 -0.049 0.000 1.929 51 A HA 0.194 4.514 4.320 0.000 0.000 0.216 51 A C 2.563 180.145 177.584 -0.004 0.000 1.176 51 A CA 1.507 53.532 52.037 -0.019 0.000 0.628 51 A CB -0.442 18.551 19.000 -0.013 0.000 0.816 51 A HN 0.232 nan 8.150 nan 0.000 0.444 52 V N 0.293 120.196 119.914 -0.018 0.000 2.407 52 V HA -0.257 3.863 4.120 0.000 0.000 0.248 52 V C 2.387 178.506 176.094 0.043 0.000 1.055 52 V CA 1.996 64.319 62.300 0.037 0.000 1.049 52 V CB -0.590 31.270 31.823 0.062 0.000 0.662 52 V HN 0.570 nan 8.190 nan 0.000 0.455 53 I N -0.685 119.890 120.570 0.009 0.000 2.233 53 I HA -0.190 3.980 4.170 0.000 0.000 0.243 53 I C 2.730 178.858 176.117 0.017 0.000 1.093 53 I CA 1.401 62.712 61.300 0.019 0.000 1.380 53 I CB -0.436 37.565 38.000 0.002 0.000 1.067 53 I HN 0.175 nan 8.210 nan 0.000 0.413 54 R N 0.833 121.338 120.500 0.008 0.000 2.120 54 R HA -0.169 4.171 4.340 0.000 0.000 0.234 54 R C 1.745 178.055 176.300 0.015 0.000 1.123 54 R CA 1.306 57.411 56.100 0.008 0.000 0.975 54 R CB -0.246 30.056 30.300 0.003 0.000 0.866 54 R HN 0.485 nan 8.270 nan 0.000 0.446 55 E N -0.118 120.096 120.200 0.024 0.000 2.502 55 E HA 0.094 4.444 4.350 0.000 0.000 0.194 55 E C 0.361 176.984 176.600 0.039 0.000 1.062 55 E CA 0.338 56.757 56.400 0.031 0.000 0.867 55 E CB 0.415 30.137 29.700 0.038 0.000 0.888 55 E HN 0.314 nan 8.360 nan 0.000 0.510 56 A N 2.082 124.927 122.820 0.042 0.000 2.791 56 A HA -0.229 4.091 4.320 0.000 0.000 0.292 56 A C 0.054 177.682 177.584 0.073 0.000 1.487 56 A CA 0.546 52.611 52.037 0.047 0.000 0.760 56 A CB -1.333 17.683 19.000 0.027 0.000 1.031 56 A HN 0.131 nan 8.150 nan 0.000 0.503 57 R N 0.167 120.727 120.500 0.099 0.000 2.643 57 R HA 0.111 4.451 4.340 0.000 0.000 0.270 57 R C 0.557 176.974 176.300 0.195 0.000 1.061 57 R CA -0.085 56.097 56.100 0.138 0.000 1.107 57 R CB 0.117 30.509 30.300 0.152 0.000 0.999 57 R HN 0.724 nan 8.270 nan 0.000 0.460 58 H N 1.847 120.960 119.070 0.072 0.000 3.160 58 H HA 0.225 4.781 4.556 0.000 0.000 0.257 58 H C -0.944 174.454 175.328 0.117 0.000 1.140 58 H CA -0.376 55.706 56.048 0.058 0.000 1.492 58 H CB 0.216 29.986 29.762 0.013 0.000 1.529 58 H HN 0.044 nan 8.280 nan 0.000 0.490 59 V N 6.461 126.556 119.914 0.301 0.000 2.686 59 V HA -0.001 4.119 4.120 0.000 0.000 0.306 59 V C -0.756 175.557 176.094 0.364 0.000 1.065 59 V CA -1.009 61.501 62.300 0.350 0.000 0.894 59 V CB 1.340 33.369 31.823 0.344 0.000 1.004 59 V HN 0.665 nan 8.190 nan 0.000 0.424 60 Y N 3.807 124.344 120.300 0.394 0.000 2.805 60 Y HA 0.351 4.902 4.550 0.000 0.000 0.331 60 Y C 1.370 177.382 175.900 0.187 0.000 1.241 60 Y CA 1.853 60.094 58.100 0.235 0.000 1.546 60 Y CB 0.516 39.162 38.460 0.309 0.000 1.248 60 Y HN 1.071 nan 8.280 nan 0.000 0.559 61 G N 4.101 112.619 108.800 -0.469 0.000 2.234 61 G HA2 -0.303 3.657 3.960 0.000 0.000 0.260 61 G HA3 -0.303 3.657 3.960 0.000 0.000 0.260 61 G C 0.638 175.515 174.900 -0.039 0.000 0.987 61 G CA 0.587 45.537 45.100 -0.249 0.000 0.625 61 G HN 0.672 nan 8.290 nan 0.000 0.532 62 L N -0.091 121.145 121.223 0.021 0.000 2.500 62 L HA 0.285 4.626 4.340 0.000 0.000 0.219 62 L C 2.156 179.039 176.870 0.022 0.000 1.057 62 L CA 1.587 56.465 54.840 0.063 0.000 0.854 62 L CB 0.456 42.601 42.059 0.142 0.000 1.078 62 L HN 0.462 nan 8.230 nan 0.000 0.480 63 T N -4.070 110.497 114.554 0.022 0.000 3.332 63 T HA 0.181 4.531 4.350 0.000 0.000 0.304 63 T C 0.226 174.906 174.700 -0.033 0.000 0.971 63 T CA 0.067 62.171 62.100 0.007 0.000 0.954 63 T CB 0.054 68.959 68.868 0.062 0.000 1.175 63 T HN 0.177 nan 8.240 nan 0.000 0.519 64 T N -1.794 112.687 114.554 -0.123 0.000 2.864 64 T HA 0.768 5.119 4.350 0.000 0.000 0.299 64 T C 0.539 174.964 174.700 -0.458 0.000 1.166 64 T CA -0.254 61.743 62.100 -0.171 0.000 1.007 64 T CB 1.452 70.318 68.868 -0.005 0.000 1.219 64 T HN 0.307 nan 8.240 nan 0.000 0.506 65 G N 0.062 108.638 108.800 -0.373 0.000 2.553 65 G HA2 0.553 4.513 3.960 0.000 0.000 0.278 65 G HA3 0.553 4.513 3.960 0.000 0.000 0.278 65 G C -1.008 173.486 174.900 -0.677 0.000 1.349 65 G CA -0.763 44.022 45.100 -0.525 0.000 1.037 65 G HN 0.560 nan 8.290 nan 0.000 0.508 66 F N -0.825 119.120 119.950 -0.009 0.000 2.483 66 F HA 0.608 5.135 4.527 0.000 0.000 0.329 66 F C 1.183 177.123 175.800 0.233 0.000 1.064 66 F CA 0.352 58.429 58.000 0.128 0.000 0.986 66 F CB 1.316 40.434 39.000 0.196 0.000 1.218 66 F HN 1.023 nan 8.300 nan 0.000 0.484 67 G N 1.850 110.995 108.800 0.576 0.000 2.596 67 G HA2 -0.287 3.673 3.960 0.000 0.000 0.295 67 G HA3 -0.287 3.673 3.960 0.000 0.000 0.295 67 G C -1.917 173.105 174.900 0.204 0.000 1.240 67 G CA -0.083 45.193 45.100 0.294 0.000 0.985 67 G HN 0.518 nan 8.290 nan 0.000 0.555 68 P HA 0.169 nan 4.420 nan 0.000 0.234 68 P C 1.620 178.960 177.300 0.066 0.000 1.167 68 P CA 0.672 63.820 63.100 0.080 0.000 0.763 68 P CB -0.059 31.672 31.700 0.052 0.000 0.835 69 L N -1.599 119.666 121.223 0.070 0.000 2.611 69 L HA 0.208 4.548 4.340 0.000 0.000 0.229 69 L C 1.982 178.863 176.870 0.018 0.000 1.137 69 L CA 0.056 54.910 54.840 0.024 0.000 0.901 69 L CB -0.570 41.482 42.059 -0.011 0.000 1.098 69 L HN -0.047 nan 8.230 nan 0.000 0.456 70 A N 1.289 124.162 122.820 0.089 0.000 2.172 70 A HA -0.166 4.154 4.320 0.000 0.000 0.216 70 A C 1.945 179.577 177.584 0.079 0.000 1.154 70 A CA 1.346 53.449 52.037 0.110 0.000 0.701 70 A CB -0.499 18.679 19.000 0.296 0.000 0.789 70 A HN 0.645 nan 8.150 nan 0.000 0.465 71 N N -0.595 118.136 118.700 0.051 0.000 2.521 71 N HA -0.033 4.707 4.740 0.000 0.000 0.188 71 N C 0.012 175.515 175.510 -0.011 0.000 1.146 71 N CA 0.219 53.286 53.050 0.029 0.000 0.893 71 N CB -0.170 38.331 38.487 0.024 0.000 0.975 71 N HN 0.164 nan 8.380 nan 0.000 0.451 72 R N 1.096 121.580 120.500 -0.026 0.000 2.204 72 R HA 0.392 4.732 4.340 0.000 0.000 0.341 72 R C -0.152 176.104 176.300 -0.074 0.000 1.035 72 R CA -0.299 55.770 56.100 -0.051 0.000 0.887 72 R CB 0.653 30.919 30.300 -0.057 0.000 1.114 72 R HN 0.151 nan 8.270 nan 0.000 0.473 73 L N 3.823 124.997 121.223 -0.081 0.000 2.417 73 L HA 0.364 4.704 4.340 0.000 0.000 0.268 73 L C 0.177 176.996 176.870 -0.085 0.000 1.158 73 L CA -0.385 54.397 54.840 -0.096 0.000 0.819 73 L CB 0.531 42.515 42.059 -0.126 0.000 1.112 73 L HN 0.340 nan 8.230 nan 0.000 0.458 74 I N 1.203 121.723 120.570 -0.084 0.000 2.474 74 I HA 0.216 4.386 4.170 0.000 0.000 0.294 74 I C 0.272 176.360 176.117 -0.049 0.000 1.005 74 I CA -0.237 61.020 61.300 -0.072 0.000 1.113 74 I CB 1.694 39.637 38.000 -0.094 0.000 1.289 74 I HN 0.528 nan 8.210 nan 0.000 0.436 75 S N 3.150 118.827 115.700 -0.038 0.000 2.565 75 S HA 0.348 4.818 4.470 0.000 0.000 0.276 75 S C 1.491 176.079 174.600 -0.020 0.000 1.326 75 S CA 0.177 58.361 58.200 -0.027 0.000 1.045 75 S CB 1.233 64.419 63.200 -0.023 0.000 0.918 75 S HN 0.887 nan 8.310 nan 0.000 0.505 76 G N 3.168 111.961 108.800 -0.013 0.000 2.505 76 G HA2 -0.281 3.679 3.960 0.000 0.000 0.220 76 G HA3 -0.281 3.679 3.960 0.000 0.000 0.220 76 G C 1.269 176.164 174.900 -0.010 0.000 1.145 76 G CA 1.213 46.308 45.100 -0.008 0.000 0.761 76 G HN 0.911 nan 8.290 nan 0.000 0.571 77 E N 0.770 120.963 120.200 -0.011 0.000 2.409 77 E HA -0.081 4.269 4.350 0.000 0.000 0.198 77 E C 1.046 177.640 176.600 -0.009 0.000 1.024 77 E CA 0.741 57.135 56.400 -0.011 0.000 0.861 77 E CB -0.326 29.368 29.700 -0.010 0.000 0.788 77 E HN 0.405 nan 8.360 nan 0.000 0.521 78 N N 0.606 119.300 118.700 -0.010 0.000 2.203 78 N HA 0.063 4.803 4.740 0.000 0.000 0.207 78 N C 1.480 176.988 175.510 -0.005 0.000 1.130 78 N CA 0.133 53.178 53.050 -0.008 0.000 0.861 78 N CB 0.952 39.432 38.487 -0.012 0.000 1.005 78 N HN 0.024 nan 8.380 nan 0.000 0.507 79 V N 1.140 121.051 119.914 -0.005 0.000 2.358 79 V HA -0.156 3.964 4.120 0.000 0.000 0.246 79 V C 2.292 178.395 176.094 0.016 0.000 1.047 79 V CA 1.445 63.747 62.300 0.003 0.000 1.035 79 V CB -0.297 31.530 31.823 0.006 0.000 0.658 79 V HN 0.237 nan 8.190 nan 0.000 0.452 80 R N -0.207 120.296 120.500 0.005 0.000 2.120 80 R HA -0.119 4.221 4.340 0.000 0.000 0.234 80 R C 2.382 178.684 176.300 0.003 0.000 1.123 80 R CA 1.802 57.903 56.100 0.001 0.000 0.975 80 R CB -0.590 29.704 30.300 -0.010 0.000 0.866 80 R HN 0.494 nan 8.270 nan 0.000 0.446 81 T N 1.613 116.173 114.554 0.009 0.000 2.812 81 T HA -0.084 4.266 4.350 0.000 0.000 0.264 81 T C 1.728 176.453 174.700 0.041 0.000 1.042 81 T CA 0.786 62.896 62.100 0.017 0.000 1.140 81 T CB -0.153 68.727 68.868 0.020 0.000 0.870 81 T HN 0.086 nan 8.240 nan 0.000 0.445 82 L N 1.395 122.650 121.223 0.054 0.000 2.012 82 L HA -0.142 4.198 4.340 0.000 0.000 0.210 82 L C 2.364 179.355 176.870 0.202 0.000 1.073 82 L CA 1.859 56.766 54.840 0.112 0.000 0.748 82 L CB -0.614 41.471 42.059 0.042 0.000 0.891 82 L HN 0.242 nan 8.230 nan 0.000 0.431 83 Q N -0.979 118.898 119.800 0.129 0.000 2.230 83 Q HA -0.058 4.282 4.340 0.000 0.000 0.202 83 Q C 2.208 178.183 176.000 -0.042 0.000 0.963 83 Q CA 1.087 56.944 55.803 0.090 0.000 0.866 83 Q CB -0.233 28.543 28.738 0.063 0.000 0.931 83 Q HN 0.711 nan 8.270 nan 0.000 0.452 84 A N 1.460 124.238 122.820 -0.071 0.000 1.930 84 A HA -0.169 4.151 4.320 0.000 0.000 0.217 84 A C 1.713 179.097 177.584 -0.333 0.000 1.175 84 A CA 1.284 53.188 52.037 -0.222 0.000 0.627 84 A CB -0.278 18.622 19.000 -0.168 0.000 0.815 84 A HN 0.256 nan 8.150 nan 0.000 0.443 85 N N -0.147 118.508 118.700 -0.075 0.000 2.244 85 N HA -0.105 4.635 4.740 0.000 0.000 0.183 85 N C 1.559 177.156 175.510 0.145 0.000 1.016 85 N CA 1.248 54.352 53.050 0.089 0.000 0.866 85 N CB -0.540 38.073 38.487 0.210 0.000 0.980 85 N HN 0.445 nan 8.380 nan 0.000 0.430 86 L N 0.923 122.165 121.223 0.031 0.000 1.989 86 L HA -0.112 4.228 4.340 0.000 0.000 0.211 86 L C 1.945 178.443 176.870 -0.620 0.000 1.071 86 L CA 1.463 56.084 54.840 -0.367 0.000 0.749 86 L CB -0.739 40.992 42.059 -0.547 0.000 0.890 86 L HN -0.098 nan 8.230 nan 0.000 0.431 87 V N -0.246 119.429 119.914 -0.399 0.000 2.332 87 V HA -0.364 3.756 4.120 0.000 0.000 0.248 87 V C 2.401 178.341 176.094 -0.256 0.000 1.055 87 V CA 2.311 64.399 62.300 -0.354 0.000 1.038 87 V CB -1.008 30.647 31.823 -0.281 0.000 0.651 87 V HN 0.637 nan 8.190 nan 0.000 0.450 88 H N -0.491 118.462 119.070 -0.195 0.000 2.299 88 H HA -0.175 4.381 4.556 0.000 0.000 0.302 88 H C 2.225 177.497 175.328 -0.093 0.000 1.078 88 H CA 1.881 57.860 56.048 -0.115 0.000 1.323 88 H CB -0.265 29.492 29.762 -0.009 0.000 1.381 88 H HN 0.604 nan 8.280 nan 0.000 0.498 89 F N 0.758 120.744 119.950 0.059 0.000 2.365 89 F HA -0.030 4.497 4.527 0.000 0.000 0.300 89 F C 1.641 177.419 175.800 -0.036 0.000 1.090 89 F CA 0.793 58.798 58.000 0.009 0.000 1.408 89 F CB -0.695 38.317 39.000 0.019 0.000 1.060 89 F HN 0.007 nan 8.300 nan 0.000 0.534 90 L N 0.643 121.466 121.223 -0.665 0.000 2.418 90 L HA 0.201 4.541 4.340 0.000 0.000 0.218 90 L C 1.911 178.620 176.870 -0.269 0.000 1.125 90 L CA 0.447 54.985 54.840 -0.504 0.000 0.835 90 L CB -0.676 40.983 42.059 -0.667 0.000 0.953 90 L HN 0.272 nan 8.230 nan 0.000 0.454 91 A N 0.098 122.732 122.820 -0.310 0.000 3.029 91 A HA 0.138 4.458 4.320 0.000 0.000 0.251 91 A C 1.200 178.753 177.584 -0.051 0.000 1.749 91 A CA 0.288 52.031 52.037 -0.489 0.000 1.386 91 A CB -0.672 17.959 19.000 -0.616 0.000 1.043 91 A HN 0.365 nan 8.150 nan 0.000 0.638 92 S N -0.523 115.240 115.700 0.104 0.000 2.601 92 S HA 0.380 4.850 4.470 0.000 0.000 0.244 92 S C 0.860 175.559 174.600 0.164 0.000 1.001 92 S CA 0.058 58.339 58.200 0.135 0.000 0.984 92 S CB 0.088 63.342 63.200 0.089 0.000 0.842 92 S HN 0.756 nan 8.310 nan 0.000 0.474 93 G N 1.532 110.519 108.800 0.311 0.000 2.544 93 G HA2 0.504 4.464 3.960 0.000 0.000 0.242 93 G HA3 0.504 4.464 3.960 0.000 0.000 0.242 93 G C -0.130 174.738 174.900 -0.054 0.000 1.247 93 G CA 0.063 45.194 45.100 0.053 0.000 0.840 93 G HN 0.995 nan 8.290 nan 0.000 0.578 94 V N -0.840 119.039 119.914 -0.059 0.000 3.167 94 V HA 1.035 5.155 4.120 0.000 0.000 0.310 94 V C 0.563 176.622 176.094 -0.059 0.000 1.207 94 V CA -0.116 62.151 62.300 -0.054 0.000 1.059 94 V CB 1.112 32.924 31.823 -0.018 0.000 1.079 94 V HN 2.540 nan 8.190 nan 0.000 0.446 95 G N 0.582 109.355 108.800 -0.045 0.000 2.707 95 G HA2 0.062 4.023 3.960 0.000 0.000 0.686 95 G HA3 0.062 4.023 3.960 0.000 0.000 0.686 95 G C -2.701 172.174 174.900 -0.042 0.000 1.315 95 G CA -0.315 44.763 45.100 -0.036 0.000 0.832 95 G HN 1.126 nan 8.290 nan 0.000 0.573 96 P HA 0.386 nan 4.420 nan 0.000 0.267 96 P C 0.872 178.154 177.300 -0.031 0.000 1.200 96 P CA 0.496 63.584 63.100 -0.020 0.000 0.772 96 P CB 0.735 32.432 31.700 -0.005 0.000 0.855 97 V N 1.380 121.276 119.914 -0.029 0.000 3.051 97 V HA 0.178 4.298 4.120 0.000 0.000 0.306 97 V C 0.691 176.779 176.094 -0.010 0.000 1.083 97 V CA -0.716 61.562 62.300 -0.035 0.000 1.104 97 V CB -0.425 31.381 31.823 -0.028 0.000 1.027 97 V HN 0.301 nan 8.190 nan 0.000 0.483 98 L N 2.563 123.777 121.223 -0.015 0.000 2.461 98 L HA 0.254 4.594 4.340 0.000 0.000 0.272 98 L C 0.645 177.537 176.870 0.036 0.000 1.197 98 L CA -0.211 54.632 54.840 0.006 0.000 0.836 98 L CB 0.185 42.238 42.059 -0.011 0.000 1.105 98 L HN 1.023 nan 8.230 nan 0.000 0.477 99 D N -0.024 120.413 120.400 0.062 0.000 2.368 99 D HA -0.121 4.519 4.640 0.000 0.000 0.240 99 D C 0.718 177.113 176.300 0.157 0.000 1.169 99 D CA -0.437 53.633 54.000 0.115 0.000 0.906 99 D CB 0.550 41.422 40.800 0.121 0.000 1.187 99 D HN 0.550 nan 8.370 nan 0.000 0.435 100 W N 1.299 122.602 121.300 0.006 0.000 2.290 100 W HA -0.300 4.360 4.660 0.000 0.000 0.323 100 W C 2.153 178.667 176.519 -0.009 0.000 1.260 100 W CA 2.616 59.964 57.345 0.005 0.000 1.266 100 W CB -0.753 28.713 29.460 0.009 0.000 1.149 100 W HN 0.444 nan 8.180 nan 0.000 0.482 101 T N -0.323 114.378 114.554 0.245 0.000 2.746 101 T HA -0.202 4.148 4.350 0.000 0.000 0.267 101 T C 1.560 176.192 174.700 -0.112 0.000 1.039 101 T CA 2.234 64.328 62.100 -0.011 0.000 1.142 101 T CB -0.834 68.112 68.868 0.131 0.000 0.866 101 T HN 0.185 nan 8.240 nan 0.000 0.444 102 T N 1.925 116.468 114.554 -0.019 0.000 2.777 102 T HA 0.044 4.394 4.350 0.000 0.000 0.266 102 T C 2.430 177.087 174.700 -0.072 0.000 1.040 102 T CA 1.048 63.133 62.100 -0.025 0.000 1.141 102 T CB -0.499 68.382 68.868 0.022 0.000 0.868 102 T HN 0.420 nan 8.240 nan 0.000 0.444 103 A N 1.766 124.533 122.820 -0.089 0.000 1.933 103 A HA -0.109 4.212 4.320 0.000 0.000 0.218 103 A C 2.370 179.854 177.584 -0.168 0.000 1.175 103 A CA 1.385 53.356 52.037 -0.110 0.000 0.628 103 A CB -0.448 18.492 19.000 -0.100 0.000 0.814 103 A HN 0.401 nan 8.150 nan 0.000 0.444 104 R N -0.624 119.711 120.500 -0.275 0.000 2.115 104 R HA 0.024 4.365 4.340 0.000 0.000 0.226 104 R C 2.413 178.583 176.300 -0.217 0.000 1.100 104 R CA 1.017 56.928 56.100 -0.316 0.000 0.980 104 R CB -0.391 29.575 30.300 -0.557 0.000 0.875 104 R HN 0.500 nan 8.270 nan 0.000 0.445 105 A N 1.122 123.832 122.820 -0.183 0.000 1.972 105 A HA -0.182 4.138 4.320 0.000 0.000 0.219 105 A C 2.106 179.636 177.584 -0.090 0.000 1.169 105 A CA 1.274 53.236 52.037 -0.125 0.000 0.635 105 A CB -0.432 18.518 19.000 -0.083 0.000 0.810 105 A HN 0.326 nan 8.150 nan 0.000 0.446 106 M N -0.308 119.241 119.600 -0.084 0.000 2.099 106 M HA -0.115 4.365 4.480 0.000 0.000 0.262 106 M C 1.881 178.140 176.300 -0.067 0.000 1.067 106 M CA 1.960 57.222 55.300 -0.063 0.000 1.124 106 M CB -0.230 32.337 32.600 -0.056 0.000 1.353 106 M HN 0.184 nan 8.290 nan 0.000 0.410 107 V N 1.148 121.011 119.914 -0.085 0.000 2.332 107 V HA -0.279 3.841 4.120 0.000 0.000 0.248 107 V C 2.429 178.480 176.094 -0.071 0.000 1.055 107 V CA 1.768 64.023 62.300 -0.076 0.000 1.038 107 V CB -0.968 30.802 31.823 -0.088 0.000 0.651 107 V HN 0.591 nan 8.190 nan 0.000 0.450 108 L N 0.902 122.073 121.223 -0.086 0.000 2.046 108 L HA -0.068 4.272 4.340 0.000 0.000 0.208 108 L C 2.442 179.273 176.870 -0.064 0.000 1.077 108 L CA 2.345 57.138 54.840 -0.079 0.000 0.747 108 L CB -0.967 41.036 42.059 -0.094 0.000 0.896 108 L HN 0.212 nan 8.230 nan 0.000 0.432 109 A N -0.413 122.371 122.820 -0.060 0.000 1.902 109 A HA -0.259 4.061 4.320 0.000 0.000 0.217 109 A C 2.465 180.025 177.584 -0.041 0.000 1.181 109 A CA 1.838 53.845 52.037 -0.051 0.000 0.623 109 A CB -0.605 18.368 19.000 -0.044 0.000 0.818 109 A HN 0.484 nan 8.150 nan 0.000 0.443 110 R N -0.650 119.827 120.500 -0.038 0.000 2.075 110 R HA -0.072 4.268 4.340 0.000 0.000 0.232 110 R C 1.948 178.232 176.300 -0.027 0.000 1.126 110 R CA 1.533 57.616 56.100 -0.028 0.000 0.963 110 R CB -0.674 29.609 30.300 -0.028 0.000 0.858 110 R HN 0.438 nan 8.270 nan 0.000 0.435 111 L N -0.079 121.124 121.223 -0.034 0.000 2.012 111 L HA -0.115 4.225 4.340 0.000 0.000 0.210 111 L C 1.923 178.775 176.870 -0.031 0.000 1.073 111 L CA 1.683 56.503 54.840 -0.032 0.000 0.748 111 L CB -0.543 41.493 42.059 -0.039 0.000 0.891 111 L HN 0.076 nan 8.230 nan 0.000 0.431 112 V N -1.027 118.863 119.914 -0.040 0.000 2.407 112 V HA -0.266 3.854 4.120 0.000 0.000 0.248 112 V C 2.769 178.845 176.094 -0.031 0.000 1.055 112 V CA 1.781 64.055 62.300 -0.043 0.000 1.049 112 V CB -0.755 31.031 31.823 -0.062 0.000 0.662 112 V HN 0.651 nan 8.190 nan 0.000 0.455 113 S N -0.369 115.315 115.700 -0.027 0.000 2.368 113 S HA -0.126 4.344 4.470 0.000 0.000 0.224 113 S C 1.921 176.519 174.600 -0.004 0.000 1.029 113 S CA 1.569 59.759 58.200 -0.016 0.000 0.988 113 S CB -0.314 62.879 63.200 -0.012 0.000 0.838 113 S HN 0.527 nan 8.310 nan 0.000 0.462 114 I N 1.663 122.232 120.570 -0.003 0.000 2.286 114 I HA -0.132 4.038 4.170 0.000 0.000 0.248 114 I C 2.668 178.786 176.117 0.002 0.000 1.115 114 I CA 1.039 62.342 61.300 0.006 0.000 1.392 114 I CB -0.472 37.528 38.000 0.000 0.000 1.065 114 I HN 0.369 nan 8.210 nan 0.000 0.418 115 A N 0.051 122.867 122.820 -0.007 0.000 2.178 115 A HA -0.190 4.131 4.320 0.000 0.000 0.218 115 A C 2.058 179.642 177.584 -0.000 0.000 1.157 115 A CA 1.126 53.159 52.037 -0.007 0.000 0.689 115 A CB -0.318 18.674 19.000 -0.013 0.000 0.787 115 A HN 0.403 nan 8.150 nan 0.000 0.465 116 Q N -1.126 118.676 119.800 0.003 0.000 2.435 116 Q HA 0.085 4.426 4.340 0.000 0.000 0.207 116 Q C 1.216 177.225 176.000 0.015 0.000 0.956 116 Q CA 0.770 56.578 55.803 0.008 0.000 0.917 116 Q CB -0.523 28.218 28.738 0.005 0.000 0.997 116 Q HN 1.032 nan 8.270 nan 0.000 0.497 117 G N 0.553 109.364 108.800 0.020 0.000 2.212 117 G HA2 -0.200 3.760 3.960 0.000 0.000 0.255 117 G HA3 -0.200 3.760 3.960 0.000 0.000 0.255 117 G C 0.445 175.378 174.900 0.056 0.000 1.062 117 G CA 0.409 45.526 45.100 0.028 0.000 0.815 117 G HN 0.519 nan 8.290 nan 0.000 0.497 118 A N -1.049 121.817 122.820 0.076 0.000 2.635 118 A HA 0.720 5.040 4.320 0.000 0.000 0.279 118 A C 1.616 179.331 177.584 0.219 0.000 1.122 118 A CA 1.346 53.459 52.037 0.126 0.000 0.965 118 A CB 0.291 19.327 19.000 0.059 0.000 1.221 118 A HN 0.793 nan 8.150 nan 0.000 0.566 119 S N -1.164 114.653 115.700 0.195 0.000 2.505 119 S HA 0.371 4.841 4.470 0.000 0.000 0.216 119 S C 1.542 176.303 174.600 0.268 0.000 1.018 119 S CA 0.704 59.049 58.200 0.242 0.000 0.911 119 S CB 0.467 63.737 63.200 0.116 0.000 0.818 119 S HN 1.668 nan 8.310 nan 0.000 0.497 120 G N 1.922 110.788 108.800 0.110 0.000 2.184 120 G HA2 -0.239 3.721 3.960 0.000 0.000 0.264 120 G HA3 -0.239 3.721 3.960 0.000 0.000 0.264 120 G C 0.260 175.121 174.900 -0.065 0.000 0.975 120 G CA 0.005 45.051 45.100 -0.091 0.000 0.642 120 G HN 0.920 nan 8.290 nan 0.000 0.536 121 A N 0.480 123.291 122.820 -0.016 0.000 2.565 121 A HA 0.561 4.881 4.320 0.000 0.000 0.237 121 A C 1.189 178.717 177.584 -0.093 0.000 1.053 121 A CA 1.123 53.138 52.037 -0.037 0.000 0.755 121 A CB 0.127 19.116 19.000 -0.017 0.000 0.980 121 A HN 2.067 nan 8.150 nan 0.000 0.506 122 S N 1.765 117.378 115.700 -0.146 0.000 2.614 122 S HA 0.183 4.653 4.470 0.000 0.000 0.265 122 S C 0.756 175.251 174.600 -0.175 0.000 1.303 122 S CA 0.115 58.155 58.200 -0.266 0.000 1.000 122 S CB 0.727 63.597 63.200 -0.551 0.000 0.935 122 S HN 0.718 nan 8.310 nan 0.000 0.551 123 E N 1.512 121.608 120.200 -0.173 0.000 2.118 123 E HA -0.120 4.230 4.350 0.000 0.000 0.195 123 E C 2.131 178.686 176.600 -0.075 0.000 0.992 123 E CA 1.211 57.551 56.400 -0.099 0.000 0.804 123 E CB -0.757 28.895 29.700 -0.080 0.000 0.741 123 E HN 0.902 nan 8.360 nan 0.000 0.458 124 G N 0.601 109.350 108.800 -0.086 0.000 2.421 124 G HA2 -0.268 3.692 3.960 0.000 0.000 0.216 124 G HA3 -0.268 3.692 3.960 0.000 0.000 0.216 124 G C 1.642 176.526 174.900 -0.027 0.000 1.171 124 G CA 1.297 46.375 45.100 -0.036 0.000 0.775 124 G HN 0.187 nan 8.290 nan 0.000 0.543 125 T N 1.359 115.889 114.554 -0.040 0.000 2.720 125 T HA -0.068 4.283 4.350 0.000 0.000 0.268 125 T C 2.384 177.071 174.700 -0.023 0.000 1.037 125 T CA 1.053 63.140 62.100 -0.023 0.000 1.144 125 T CB -0.173 68.679 68.868 -0.027 0.000 0.864 125 T HN 0.244 nan 8.240 nan 0.000 0.444 126 I N 1.219 121.769 120.570 -0.034 0.000 2.286 126 I HA -0.167 4.003 4.170 0.000 0.000 0.248 126 I C 2.866 178.970 176.117 -0.023 0.000 1.115 126 I CA 1.012 62.295 61.300 -0.028 0.000 1.392 126 I CB -0.432 37.548 38.000 -0.034 0.000 1.065 126 I HN 0.193 nan 8.210 nan 0.000 0.418 127 A N 0.749 123.555 122.820 -0.022 0.000 1.933 127 A HA -0.161 4.159 4.320 0.000 0.000 0.218 127 A C 2.326 179.905 177.584 -0.008 0.000 1.175 127 A CA 1.185 53.212 52.037 -0.015 0.000 0.628 127 A CB -0.356 18.635 19.000 -0.014 0.000 0.814 127 A HN 0.244 nan 8.150 nan 0.000 0.444 128 R N -0.140 120.359 120.500 -0.002 0.000 2.092 128 R HA -0.015 4.325 4.340 0.000 0.000 0.231 128 R C 2.011 178.317 176.300 0.009 0.000 1.119 128 R CA 1.131 57.237 56.100 0.010 0.000 0.970 128 R CB -1.003 29.309 30.300 0.020 0.000 0.864 128 R HN 0.590 nan 8.270 nan 0.000 0.440 129 L N 0.152 121.372 121.223 -0.004 0.000 2.027 129 L HA -0.091 4.250 4.340 0.000 0.000 0.206 129 L C 2.503 179.360 176.870 -0.021 0.000 1.074 129 L CA 1.132 55.964 54.840 -0.013 0.000 0.745 129 L CB -0.467 41.579 42.059 -0.022 0.000 0.898 129 L HN 0.057 nan 8.230 nan 0.000 0.433 130 I N -0.050 120.507 120.570 -0.020 0.000 2.226 130 I HA -0.288 3.882 4.170 0.000 0.000 0.245 130 I C 2.131 178.236 176.117 -0.019 0.000 1.100 130 I CA 1.172 62.458 61.300 -0.023 0.000 1.374 130 I CB -0.357 37.630 38.000 -0.021 0.000 1.057 130 I HN 0.266 nan 8.210 nan 0.000 0.413 131 D N 0.690 121.083 120.400 -0.012 0.000 2.117 131 D HA -0.177 4.463 4.640 0.000 0.000 0.197 131 D C 2.138 178.433 176.300 -0.009 0.000 0.987 131 D CA 0.946 54.940 54.000 -0.010 0.000 0.829 131 D CB -0.331 40.465 40.800 -0.007 0.000 0.961 131 D HN 0.157 nan 8.370 nan 0.000 0.460 132 L N 0.822 122.046 121.223 0.001 0.000 1.989 132 L HA -0.158 4.182 4.340 0.000 0.000 0.211 132 L C 2.172 179.025 176.870 -0.029 0.000 1.071 132 L CA 1.441 56.288 54.840 0.011 0.000 0.749 132 L CB -0.883 41.199 42.059 0.039 0.000 0.890 132 L HN 0.099 nan 8.230 nan 0.000 0.431 133 L N 0.096 121.288 121.223 -0.051 0.000 2.131 133 L HA -0.215 4.125 4.340 0.000 0.000 0.210 133 L C 2.072 178.912 176.870 -0.051 0.000 1.092 133 L CA 0.969 55.760 54.840 -0.083 0.000 0.759 133 L CB -0.590 41.420 42.059 -0.082 0.000 0.903 133 L HN 0.378 nan 8.230 nan 0.000 0.435 134 N N -0.483 118.202 118.700 -0.024 0.000 2.463 134 N HA -0.027 4.713 4.740 0.000 0.000 0.181 134 N C 1.016 176.534 175.510 0.015 0.000 1.078 134 N CA 0.495 53.542 53.050 -0.005 0.000 0.902 134 N CB 0.090 38.573 38.487 -0.006 0.000 0.970 134 N HN 0.345 nan 8.380 nan 0.000 0.451 135 S N 0.198 115.907 115.700 0.015 0.000 2.652 135 S HA 0.234 4.704 4.470 0.000 0.000 0.267 135 S C 0.766 175.432 174.600 0.110 0.000 1.201 135 S CA -0.380 57.842 58.200 0.036 0.000 0.996 135 S CB 1.256 64.460 63.200 0.006 0.000 1.054 135 S HN -0.053 nan 8.310 nan 0.000 0.561 136 E N 0.079 120.371 120.200 0.153 0.000 2.419 136 E HA 0.354 4.704 4.350 0.000 0.000 0.190 136 E C -0.174 176.727 176.600 0.501 0.000 1.040 136 E CA -0.018 56.569 56.400 0.312 0.000 0.900 136 E CB -0.196 29.599 29.700 0.159 0.000 1.054 136 E HN 0.502 nan 8.360 nan 0.000 0.462 137 L N -0.159 121.263 121.223 0.332 0.000 2.331 137 L HA 0.762 5.103 4.340 0.000 0.000 0.268 137 L C -0.017 176.960 176.870 0.179 0.000 1.015 137 L CA -1.078 53.985 54.840 0.372 0.000 0.807 137 L CB 1.550 43.706 42.059 0.162 0.000 1.293 137 L HN -0.155 nan 8.230 nan 0.000 0.451 138 A N 0.856 123.810 122.820 0.223 0.000 2.549 138 A HA 0.814 5.134 4.320 0.000 0.000 0.297 138 A C -2.826 174.835 177.584 0.127 0.000 1.061 138 A CA -1.368 50.656 52.037 -0.022 0.000 0.690 138 A CB 1.911 20.706 19.000 -0.343 0.000 1.287 138 A HN 0.363 nan 8.150 nan 0.000 0.402 139 P HA 0.403 nan 4.420 nan 0.000 0.275 139 P C -0.395 176.820 177.300 -0.142 0.000 1.228 139 P CA 0.043 63.000 63.100 -0.238 0.000 0.786 139 P CB 1.361 32.924 31.700 -0.228 0.000 0.927 140 A N 3.214 125.928 122.820 -0.176 0.000 2.294 140 A HA 0.507 4.827 4.320 0.000 0.000 0.316 140 A C 0.180 177.699 177.584 -0.109 0.000 1.359 140 A CA -0.495 51.489 52.037 -0.088 0.000 0.956 140 A CB -0.400 18.566 19.000 -0.057 0.000 1.155 140 A HN 0.438 nan 8.150 nan 0.000 0.544 141 V N 1.051 120.906 119.914 -0.099 0.000 2.540 141 V HA 0.751 4.871 4.120 0.000 0.000 0.302 141 V C -2.814 173.180 176.094 -0.167 0.000 1.035 141 V CA -2.619 59.601 62.300 -0.133 0.000 0.873 141 V CB 1.817 33.596 31.823 -0.073 0.000 0.992 141 V HN 0.645 nan 8.190 nan 0.000 0.428 142 P HA 0.117 nan 4.420 nan 0.000 0.268 142 P C 0.855 178.073 177.300 -0.137 0.000 1.205 142 P CA 0.398 63.359 63.100 -0.231 0.000 0.771 142 P CB 1.377 32.864 31.700 -0.354 0.000 0.858 143 S N 2.892 118.545 115.700 -0.079 0.000 2.461 143 S HA -0.001 4.469 4.470 0.000 0.000 0.228 143 S C 0.861 175.444 174.600 -0.028 0.000 1.005 143 S CA 0.201 58.376 58.200 -0.041 0.000 0.942 143 S CB -0.121 63.067 63.200 -0.020 0.000 0.776 143 S HN 0.415 nan 8.310 nan 0.000 0.514 144 R N -0.173 120.307 120.500 -0.035 0.000 2.668 144 R HA 0.620 4.960 4.340 0.000 0.000 0.279 144 R C 0.771 177.066 176.300 -0.009 0.000 0.976 144 R CA 0.013 56.103 56.100 -0.015 0.000 0.978 144 R CB 1.513 31.806 30.300 -0.011 0.000 1.133 144 R HN 0.337 nan 8.270 nan 0.000 0.484 145 G N 0.187 108.992 108.800 0.009 0.000 2.813 145 G HA2 -0.205 3.755 3.960 0.000 0.000 0.194 145 G HA3 -0.205 3.755 3.960 0.000 0.000 0.194 145 G C 0.046 174.962 174.900 0.026 0.000 1.010 145 G CA -0.083 45.030 45.100 0.023 0.000 0.771 145 G HN 0.598 nan 8.290 nan 0.000 0.485 146 T N 0.612 115.178 114.554 0.020 0.000 2.895 146 T HA 0.536 4.886 4.350 0.000 0.000 0.283 146 T C 1.363 176.078 174.700 0.025 0.000 1.014 146 T CA 0.417 62.528 62.100 0.018 0.000 1.037 146 T CB 1.689 70.563 68.868 0.010 0.000 1.006 146 T HN 1.128 nan 8.240 nan 0.000 0.468 147 V N 1.264 121.195 119.914 0.028 0.000 3.444 147 V HA 0.605 4.725 4.120 0.000 0.000 0.308 147 V C 1.147 177.269 176.094 0.048 0.000 1.371 147 V CA 0.221 62.545 62.300 0.040 0.000 1.141 147 V CB -1.305 30.545 31.823 0.044 0.000 1.037 147 V HN 1.358 nan 8.190 nan 0.000 0.433 153 L N -0.293 120.886 121.223 -0.074 0.000 2.046 153 L HA -0.142 4.198 4.340 0.000 0.000 0.208 153 L C 2.369 179.169 176.870 -0.118 0.000 1.077 153 L CA 1.439 56.207 54.840 -0.121 0.000 0.747 153 L CB -0.614 41.344 42.059 -0.167 0.000 0.896 153 L HN 0.099 nan 8.230 nan 0.000 0.432 154 T N 0.458 114.971 114.554 -0.069 0.000 2.652 154 T HA -0.092 4.258 4.350 0.000 0.000 0.267 154 T C -0.439 174.306 174.700 0.075 0.000 1.039 154 T CA 1.765 63.854 62.100 -0.018 0.000 1.153 154 T CB -1.140 67.749 68.868 0.034 0.000 0.863 154 T HN 0.314 nan 8.240 nan 0.000 0.428 155 P HA 0.028 nan 4.420 nan 0.000 0.218 155 P C 1.542 178.862 177.300 0.033 0.000 1.149 155 P CA 0.947 64.088 63.100 0.069 0.000 0.817 155 P CB -0.216 31.490 31.700 0.010 0.000 0.785 156 L N -0.733 120.476 121.223 -0.022 0.000 2.217 156 L HA -0.052 4.288 4.340 0.000 0.000 0.211 156 L C 2.755 179.573 176.870 -0.086 0.000 1.107 156 L CA 1.176 55.984 54.840 -0.053 0.000 0.783 156 L CB -0.964 41.057 42.059 -0.063 0.000 0.919 156 L HN -0.059 nan 8.230 nan 0.000 0.442 157 A N -0.866 121.875 122.820 -0.132 0.000 1.898 157 A HA -0.210 4.110 4.320 0.000 0.000 0.216 157 A C 2.128 179.580 177.584 -0.219 0.000 1.181 157 A CA 1.206 53.110 52.037 -0.222 0.000 0.620 157 A CB -0.688 18.114 19.000 -0.330 0.000 0.819 157 A HN 0.387 nan 8.150 nan 0.000 0.442 158 H N -1.080 117.927 119.070 -0.105 0.000 2.387 158 H HA -0.116 4.440 4.556 0.000 0.000 0.299 158 H C 2.100 177.356 175.328 -0.120 0.000 1.090 158 H CA 1.799 57.788 56.048 -0.098 0.000 1.332 158 H CB -0.294 29.415 29.762 -0.089 0.000 1.386 158 H HN 0.597 nan 8.280 nan 0.000 0.516 159 M N 0.590 120.183 119.600 -0.011 0.000 2.086 159 M HA -0.156 4.324 4.480 0.000 0.000 0.261 159 M C 2.143 178.391 176.300 -0.087 0.000 1.067 159 M CA 1.365 56.622 55.300 -0.072 0.000 1.116 159 M CB -0.144 32.419 32.600 -0.062 0.000 1.348 159 M HN -0.003 nan 8.290 nan 0.000 0.407 160 V N 1.334 121.199 119.914 -0.082 0.000 2.287 160 V HA -0.313 3.807 4.120 0.000 0.000 0.248 160 V C 2.462 178.515 176.094 -0.067 0.000 1.053 160 V CA 1.898 64.153 62.300 -0.074 0.000 1.027 160 V CB -0.789 30.977 31.823 -0.094 0.000 0.646 160 V HN 0.550 nan 8.190 nan 0.000 0.447 161 L N -0.845 120.330 121.223 -0.081 0.000 2.042 161 L HA -0.240 4.100 4.340 0.000 0.000 0.210 161 L C 2.656 179.485 176.870 -0.068 0.000 1.076 161 L CA 1.766 56.573 54.840 -0.056 0.000 0.749 161 L CB -0.754 41.272 42.059 -0.055 0.000 0.893 161 L HN 0.413 nan 8.230 nan 0.000 0.432 162 C N -0.207 119.004 119.300 -0.149 0.000 2.432 162 C HA -0.149 4.311 4.460 0.000 0.000 0.277 162 C C 2.680 177.548 174.990 -0.203 0.000 1.249 162 C CA 0.399 59.211 59.018 -0.344 0.000 1.725 162 C CB -0.855 26.523 27.740 -0.603 0.000 2.028 162 C HN 0.441 nan 8.230 nan 0.000 0.477 163 L N 0.347 121.530 121.223 -0.067 0.000 2.362 163 L HA -0.167 4.173 4.340 0.000 0.000 0.219 163 L C 2.417 179.359 176.870 0.120 0.000 1.134 163 L CA 1.279 56.185 54.840 0.109 0.000 0.807 163 L CB -0.646 41.446 42.059 0.054 0.000 0.927 163 L HN 0.530 nan 8.230 nan 0.000 0.447 164 Q N -0.370 119.469 119.800 0.064 0.000 2.403 164 Q HA 0.111 4.451 4.340 0.000 0.000 0.203 164 Q C 1.329 177.384 176.000 0.092 0.000 0.932 164 Q CA 0.506 56.346 55.803 0.062 0.000 0.945 164 Q CB 0.569 29.325 28.738 0.030 0.000 1.045 164 Q HN 0.552 nan 8.270 nan 0.000 0.511 165 G N 1.779 110.665 108.800 0.144 0.000 2.136 165 G HA2 -0.305 3.655 3.960 0.000 0.000 0.242 165 G HA3 -0.305 3.655 3.960 0.000 0.000 0.242 165 G C 0.441 175.409 174.900 0.112 0.000 0.989 165 G CA 0.034 45.244 45.100 0.183 0.000 0.682 165 G HN 0.320 nan 8.290 nan 0.000 0.522 166 R N 0.054 120.591 120.500 0.062 0.000 2.633 166 R HA 0.494 4.835 4.340 0.000 0.000 0.348 166 R C 0.926 177.232 176.300 0.011 0.000 1.100 166 R CA 0.451 56.574 56.100 0.039 0.000 1.068 166 R CB 0.836 31.160 30.300 0.040 0.000 1.351 166 R HN 0.574 nan 8.270 nan 0.000 0.575 167 G N -0.307 108.483 108.800 -0.016 0.000 2.677 167 G HA2 0.210 4.170 3.960 0.000 0.000 0.291 167 G HA3 0.210 4.170 3.960 0.000 0.000 0.291 167 G C -1.552 173.284 174.900 -0.107 0.000 1.435 167 G CA -0.705 44.357 45.100 -0.063 0.000 0.826 167 G HN -0.108 nan 8.290 nan 0.000 0.491 168 D N -0.472 119.878 120.400 -0.083 0.000 2.360 168 D HA 0.569 5.209 4.640 0.000 0.000 0.242 168 D C -0.456 175.740 176.300 -0.175 0.000 1.184 168 D CA 0.547 54.531 54.000 -0.027 0.000 0.930 168 D CB 0.899 41.707 40.800 0.014 0.000 1.161 168 D HN 0.102 nan 8.370 nan 0.000 0.447 169 F N -0.515 119.460 119.950 0.041 0.000 2.598 169 F HA 0.520 5.047 4.527 0.000 0.000 0.327 169 F C -0.119 175.728 175.800 0.078 0.000 1.057 169 F CA -0.907 57.126 58.000 0.054 0.000 0.957 169 F CB 1.196 40.229 39.000 0.055 0.000 1.278 169 F HN -0.070 nan 8.300 nan 0.000 0.484 170 L N 1.394 122.820 121.223 0.337 0.000 2.362 170 L HA 0.427 4.767 4.340 0.000 0.000 0.271 170 L C -1.065 176.029 176.870 0.372 0.000 1.002 170 L CA -1.071 53.944 54.840 0.291 0.000 0.818 170 L CB 1.895 44.128 42.059 0.291 0.000 1.298 170 L HN 0.598 nan 8.230 nan 0.000 0.420 171 D N 0.828 121.346 120.400 0.196 0.000 2.432 171 D HA 0.210 4.850 4.640 0.000 0.000 0.258 171 D C 0.867 177.021 176.300 -0.243 0.000 1.146 171 D CA -0.625 53.420 54.000 0.075 0.000 1.015 171 D CB 0.834 41.629 40.800 -0.010 0.000 1.107 171 D HN 0.287 nan 8.370 nan 0.000 0.529 172 R N -0.719 119.361 120.500 -0.701 0.000 2.139 172 R HA -0.127 4.213 4.340 0.000 0.000 0.243 172 R C 0.465 176.415 176.300 -0.584 0.000 1.145 172 R CA 1.425 56.749 56.100 -1.292 0.000 0.976 172 R CB -0.153 29.501 30.300 -1.078 0.000 0.866 172 R HN 0.541 nan 8.270 nan 0.000 0.449 173 D N -1.352 118.867 120.400 -0.303 0.000 2.349 173 D HA 0.039 4.679 4.640 0.000 0.000 0.224 173 D C 1.082 177.340 176.300 -0.070 0.000 1.029 173 D CA 0.983 54.890 54.000 -0.155 0.000 0.879 173 D CB 0.658 41.393 40.800 -0.108 0.000 0.906 173 D HN 0.475 nan 8.370 nan 0.000 0.528 174 G N 0.896 109.674 108.800 -0.037 0.000 2.176 174 G HA2 -0.259 3.701 3.960 0.000 0.000 0.253 174 G HA3 -0.259 3.701 3.960 0.000 0.000 0.253 174 G C 0.549 175.473 174.900 0.040 0.000 0.979 174 G CA 0.207 45.330 45.100 0.038 0.000 0.641 174 G HN 0.282 nan 8.290 nan 0.000 0.530 175 T N 2.944 117.511 114.554 0.022 0.000 2.834 175 T HA 0.428 4.778 4.350 0.000 0.000 0.298 175 T C 0.791 175.528 174.700 0.061 0.000 0.966 175 T CA -0.138 61.979 62.100 0.029 0.000 1.141 175 T CB 0.796 69.671 68.868 0.011 0.000 0.905 175 T HN 0.269 nan 8.240 nan 0.000 0.535 176 R N 3.093 123.627 120.500 0.058 0.000 2.390 176 R HA 0.429 4.769 4.340 0.000 0.000 0.291 176 R C -0.384 175.966 176.300 0.083 0.000 1.070 176 R CA -0.256 55.889 56.100 0.075 0.000 1.014 176 R CB 0.537 30.869 30.300 0.052 0.000 1.007 176 R HN 0.567 nan 8.270 nan 0.000 0.466 177 L N 2.348 123.645 121.223 0.125 0.000 2.381 177 L HA 0.275 4.615 4.340 0.000 0.000 0.268 177 L C 0.040 177.007 176.870 0.162 0.000 0.997 177 L CA -1.291 53.626 54.840 0.128 0.000 0.818 177 L CB 2.063 44.205 42.059 0.139 0.000 1.310 177 L HN 0.603 nan 8.230 nan 0.000 0.416 178 D N 1.215 121.689 120.400 0.123 0.000 2.360 178 D HA 0.110 4.750 4.640 0.000 0.000 0.242 178 D C 1.270 177.695 176.300 0.208 0.000 1.184 178 D CA -0.019 54.057 54.000 0.127 0.000 0.930 178 D CB 0.945 41.793 40.800 0.080 0.000 1.161 178 D HN 0.574 nan 8.370 nan 0.000 0.447 179 G N 0.067 108.990 108.800 0.204 0.000 2.529 179 G HA2 -0.283 3.677 3.960 0.000 0.000 0.219 179 G HA3 -0.283 3.677 3.960 0.000 0.000 0.219 179 G C 1.505 176.545 174.900 0.233 0.000 1.177 179 G CA 1.830 47.110 45.100 0.300 0.000 0.773 179 G HN 0.715 nan 8.290 nan 0.000 0.573 180 A N 0.678 123.573 122.820 0.125 0.000 1.883 180 A HA -0.067 4.253 4.320 0.000 0.000 0.217 180 A C 2.220 179.821 177.584 0.029 0.000 1.186 180 A CA 2.353 54.430 52.037 0.067 0.000 0.624 180 A CB -0.495 18.533 19.000 0.048 0.000 0.822 180 A HN 0.436 nan 8.150 nan 0.000 0.444 181 E N 0.097 120.319 120.200 0.038 0.000 2.110 181 E HA -0.046 4.304 4.350 0.000 0.000 0.193 181 E C 1.953 178.515 176.600 -0.062 0.000 0.988 181 E CA 1.624 58.026 56.400 0.003 0.000 0.804 181 E CB -0.828 28.889 29.700 0.028 0.000 0.745 181 E HN 0.400 nan 8.360 nan 0.000 0.458 182 G N 0.771 109.519 108.800 -0.087 0.000 2.421 182 G HA2 -0.220 3.740 3.960 0.000 0.000 0.216 182 G HA3 -0.220 3.740 3.960 0.000 0.000 0.216 182 G C 1.622 176.167 174.900 -0.591 0.000 1.171 182 G CA 0.900 45.720 45.100 -0.467 0.000 0.775 182 G HN 0.309 nan 8.290 nan 0.000 0.543 183 L N -0.085 120.906 121.223 -0.387 0.000 2.042 183 L HA -0.086 4.254 4.340 0.000 0.000 0.210 183 L C 2.945 179.721 176.870 -0.158 0.000 1.076 183 L CA 1.465 56.162 54.840 -0.239 0.000 0.749 183 L CB -0.406 41.614 42.059 -0.064 0.000 0.893 183 L HN 0.236 nan 8.230 nan 0.000 0.432 184 R N 0.529 120.961 120.500 -0.113 0.000 2.062 184 R HA -0.197 4.143 4.340 0.000 0.000 0.231 184 R C 2.517 178.768 176.300 -0.082 0.000 1.136 184 R CA 1.651 57.707 56.100 -0.073 0.000 0.948 184 R CB -0.203 30.071 30.300 -0.045 0.000 0.845 184 R HN 0.170 nan 8.270 nan 0.000 0.430 185 R N -0.554 119.886 120.500 -0.100 0.000 2.096 185 R HA -0.079 4.261 4.340 0.000 0.000 0.235 185 R C 1.770 178.017 176.300 -0.089 0.000 1.127 185 R CA 1.756 57.807 56.100 -0.083 0.000 0.968 185 R CB -0.393 29.862 30.300 -0.075 0.000 0.861 185 R HN 0.417 nan 8.270 nan 0.000 0.440 186 G N -0.557 108.157 108.800 -0.142 0.000 3.141 186 G HA2 -0.062 3.898 3.960 0.000 0.000 0.218 186 G HA3 -0.062 3.898 3.960 0.000 0.000 0.218 186 G C 0.021 174.869 174.900 -0.087 0.000 1.170 186 G CA -0.145 44.886 45.100 -0.114 0.000 0.769 186 G HN 0.383 nan 8.290 nan 0.000 0.546 187 R N -0.779 119.672 120.500 -0.082 0.000 3.205 187 R HA -0.152 4.189 4.340 0.000 0.000 0.249 187 R C -0.888 175.379 176.300 -0.055 0.000 0.937 187 R CA 0.147 56.214 56.100 -0.056 0.000 0.641 187 R CB -1.862 28.416 30.300 -0.036 0.000 1.114 187 R HN 0.338 nan 8.270 nan 0.000 0.451 188 L N 1.403 122.581 121.223 -0.075 0.000 2.322 188 L HA 0.518 4.858 4.340 0.000 0.000 0.269 188 L C 0.327 177.181 176.870 -0.027 0.000 1.012 188 L CA -1.249 53.558 54.840 -0.054 0.000 0.815 188 L CB 1.808 43.816 42.059 -0.085 0.000 1.295 188 L HN 0.169 nan 8.230 nan 0.000 0.438 189 Q N 2.100 121.898 119.800 -0.003 0.000 2.235 189 Q HA 0.419 4.759 4.340 0.000 0.000 0.256 189 Q C -2.373 173.645 176.000 0.030 0.000 0.951 189 Q CA -1.986 53.823 55.803 0.010 0.000 0.890 189 Q CB 1.595 30.339 28.738 0.011 0.000 1.279 189 Q HN 0.295 nan 8.270 nan 0.000 0.444 190 P HA 0.025 nan 4.420 nan 0.000 0.271 190 P C -0.268 177.059 177.300 0.045 0.000 1.216 190 P CA -0.538 62.594 63.100 0.053 0.000 0.771 190 P CB 0.606 32.334 31.700 0.046 0.000 0.864 191 L N 3.225 124.478 121.223 0.050 0.000 2.499 191 L HA 0.160 4.500 4.340 0.000 0.000 0.273 191 L C -0.090 176.799 176.870 0.031 0.000 1.195 191 L CA 0.730 55.592 54.840 0.036 0.000 0.882 191 L CB -0.519 41.558 42.059 0.030 0.000 1.133 191 L HN 0.317 nan 8.230 nan 0.000 0.483 192 D N 4.471 124.893 120.400 0.036 0.000 2.471 192 D HA 0.251 4.891 4.640 0.000 0.000 0.245 192 D C -0.152 176.184 176.300 0.059 0.000 1.116 192 D CA -0.220 53.805 54.000 0.041 0.000 0.853 192 D CB 0.733 41.561 40.800 0.047 0.000 1.123 192 D HN 0.611 nan 8.370 nan 0.000 0.540 193 L N 3.136 124.381 121.223 0.037 0.000 2.783 193 L HA 0.122 4.462 4.340 0.000 0.000 0.236 193 L C 1.893 178.788 176.870 0.043 0.000 1.225 193 L CA -0.122 54.746 54.840 0.046 0.000 1.026 193 L CB -0.252 41.814 42.059 0.012 0.000 1.314 193 L HN 0.410 nan 8.230 nan 0.000 0.489 194 S N -2.032 113.681 115.700 0.022 0.000 2.440 194 S HA -0.223 4.247 4.470 0.000 0.000 0.238 194 S C 1.465 176.001 174.600 -0.107 0.000 1.010 194 S CA 0.992 59.156 58.200 -0.061 0.000 0.972 194 S CB -0.480 62.646 63.200 -0.123 0.000 0.774 194 S HN 0.546 nan 8.310 nan 0.000 0.501 195 H N 1.581 120.643 119.070 -0.014 0.000 2.556 195 H HA 0.335 4.892 4.556 0.000 0.000 0.268 195 H C 0.587 175.904 175.328 -0.018 0.000 0.996 195 H CA 0.462 56.498 56.048 -0.020 0.000 1.157 195 H CB -0.112 29.634 29.762 -0.026 0.000 1.355 195 H HN 0.360 nan 8.280 nan 0.000 0.597 196 R N 0.855 121.402 120.500 0.078 0.000 3.656 196 R HA -0.131 4.209 4.340 0.000 0.000 0.297 196 R C -0.759 175.583 176.300 0.070 0.000 1.166 196 R CA 0.837 56.972 56.100 0.058 0.000 0.799 196 R CB -1.861 28.464 30.300 0.042 0.000 1.285 196 R HN 0.545 nan 8.270 nan 0.000 0.477 197 D N -0.874 119.570 120.400 0.074 0.000 2.615 197 D HA 0.236 4.876 4.640 0.000 0.000 0.236 197 D C 1.188 177.519 176.300 0.052 0.000 1.233 197 D CA 0.321 54.358 54.000 0.060 0.000 0.829 197 D CB 0.385 41.204 40.800 0.032 0.000 1.024 197 D HN 0.297 nan 8.370 nan 0.000 0.490 198 A N 0.350 123.197 122.820 0.046 0.000 1.972 198 A HA -0.088 4.232 4.320 0.000 0.000 0.219 198 A C 1.915 179.507 177.584 0.013 0.000 1.169 198 A CA 0.702 52.746 52.037 0.012 0.000 0.635 198 A CB -0.450 18.544 19.000 -0.011 0.000 0.810 198 A HN 0.280 nan 8.150 nan 0.000 0.446 199 L N -0.650 120.611 121.223 0.064 0.000 2.549 199 L HA -0.002 4.338 4.340 0.000 0.000 0.229 199 L C 2.580 179.498 176.870 0.080 0.000 1.158 199 L CA 1.204 56.093 54.840 0.082 0.000 0.842 199 L CB -0.479 41.679 42.059 0.166 0.000 0.952 199 L HN 0.390 nan 8.230 nan 0.000 0.452 200 A N -1.343 121.521 122.820 0.073 0.000 2.123 200 A HA 0.078 4.398 4.320 0.000 0.000 0.214 200 A C 2.104 179.702 177.584 0.023 0.000 1.152 200 A CA 0.839 52.913 52.037 0.063 0.000 0.728 200 A CB -0.183 18.852 19.000 0.058 0.000 0.814 200 A HN 0.379 nan 8.150 nan 0.000 0.464 201 L N -1.051 120.174 121.223 0.003 0.000 2.388 201 L HA 0.126 4.466 4.340 0.000 0.000 0.209 201 L C 0.071 176.916 176.870 -0.041 0.000 1.061 201 L CA 0.294 55.122 54.840 -0.021 0.000 0.834 201 L CB 0.318 42.358 42.059 -0.032 0.000 1.029 201 L HN 0.047 nan 8.230 nan 0.000 0.473 202 V N 1.993 121.873 119.914 -0.056 0.000 2.218 202 V HA 0.370 4.490 4.120 0.000 0.000 0.261 202 V C -0.488 175.570 176.094 -0.060 0.000 1.142 202 V CA -0.210 62.035 62.300 -0.092 0.000 0.965 202 V CB -0.197 31.525 31.823 -0.168 0.000 1.190 202 V HN 0.328 nan 8.190 nan 0.000 0.478 203 N N 1.871 120.553 118.700 -0.030 0.000 3.322 203 N HA 0.515 5.255 4.740 0.000 0.000 0.233 203 N C -0.086 175.441 175.510 0.028 0.000 1.399 203 N CA 0.594 53.648 53.050 0.007 0.000 0.894 203 N CB 2.331 40.845 38.487 0.045 0.000 1.440 203 N HN 0.747 nan 8.380 nan 0.000 0.503 204 G N -0.013 108.837 108.800 0.084 0.000 2.698 204 G HA2 -0.239 3.722 3.960 0.000 0.000 0.233 204 G HA3 -0.239 3.722 3.960 0.000 0.000 0.233 204 G C 0.168 175.111 174.900 0.072 0.000 1.352 204 G CA 0.414 45.569 45.100 0.092 0.000 0.879 204 G HN 1.149 nan 8.290 nan 0.000 0.567 205 T N -2.976 111.607 114.554 0.048 0.000 3.269 205 T HA 0.568 4.918 4.350 0.000 0.000 0.269 205 T C 1.803 176.508 174.700 0.007 0.000 0.993 205 T CA 0.948 63.069 62.100 0.034 0.000 0.909 205 T CB 0.463 69.349 68.868 0.031 0.000 1.115 205 T HN 0.841 nan 8.240 nan 0.000 0.543 206 S N 1.719 117.418 115.700 -0.001 0.000 2.370 206 S HA -0.084 4.386 4.470 0.000 0.000 0.226 206 S C 2.463 177.053 174.600 -0.017 0.000 1.033 206 S CA 1.316 59.507 58.200 -0.016 0.000 1.011 206 S CB -0.574 62.613 63.200 -0.022 0.000 0.852 206 S HN 0.834 nan 8.310 nan 0.000 0.457 207 A N 2.628 125.442 122.820 -0.010 0.000 1.855 207 A HA -0.074 4.246 4.320 0.000 0.000 0.215 207 A C 2.278 179.864 177.584 0.002 0.000 1.191 207 A CA 1.722 53.754 52.037 -0.009 0.000 0.613 207 A CB -0.803 18.193 19.000 -0.006 0.000 0.829 207 A HN 0.656 nan 8.150 nan 0.000 0.442 208 M N -1.432 118.174 119.600 0.010 0.000 2.159 208 M HA -0.097 4.383 4.480 0.000 0.000 0.263 208 M C 1.799 178.106 176.300 0.012 0.000 1.063 208 M CA 2.323 57.633 55.300 0.018 0.000 1.110 208 M CB -1.341 31.273 32.600 0.023 0.000 1.374 208 M HN 0.162 nan 8.290 nan 0.000 0.411 209 T N 1.104 115.656 114.554 -0.004 0.000 2.777 209 T HA 0.013 4.363 4.350 0.000 0.000 0.266 209 T C 1.979 176.676 174.700 -0.006 0.000 1.040 209 T CA 1.608 63.697 62.100 -0.018 0.000 1.141 209 T CB -0.731 68.117 68.868 -0.033 0.000 0.868 209 T HN 0.718 nan 8.240 nan 0.000 0.444 210 G N 1.353 110.148 108.800 -0.008 0.000 2.421 210 G HA2 -0.127 3.834 3.960 0.000 0.000 0.216 210 G HA3 -0.127 3.834 3.960 0.000 0.000 0.216 210 G C 1.524 176.436 174.900 0.021 0.000 1.171 210 G CA 0.490 45.585 45.100 -0.009 0.000 0.775 210 G HN 0.484 nan 8.290 nan 0.000 0.543 211 I N 1.444 122.031 120.570 0.029 0.000 2.226 211 I HA -0.175 3.995 4.170 0.000 0.000 0.245 211 I C 3.263 179.432 176.117 0.087 0.000 1.100 211 I CA 1.046 62.378 61.300 0.054 0.000 1.374 211 I CB -0.184 37.845 38.000 0.048 0.000 1.057 211 I HN 0.238 nan 8.210 nan 0.000 0.413 212 A N 1.173 124.048 122.820 0.090 0.000 1.969 212 A HA -0.157 4.163 4.320 0.000 0.000 0.218 212 A C 2.238 179.931 177.584 0.182 0.000 1.169 212 A CA 1.692 53.822 52.037 0.155 0.000 0.635 212 A CB -0.761 18.305 19.000 0.110 0.000 0.810 212 A HN 0.520 nan 8.150 nan 0.000 0.445 213 L N -2.190 119.103 121.223 0.117 0.000 2.217 213 L HA 0.055 4.395 4.340 0.000 0.000 0.211 213 L C 1.894 178.878 176.870 0.191 0.000 1.107 213 L CA 1.443 56.362 54.840 0.132 0.000 0.783 213 L CB -0.910 41.193 42.059 0.074 0.000 0.919 213 L HN -0.010 nan 8.230 nan 0.000 0.442 214 V N 0.802 120.825 119.914 0.182 0.000 2.548 214 V HA -0.138 3.983 4.120 0.000 0.000 0.249 214 V C 2.405 178.623 176.094 0.207 0.000 1.055 214 V CA 1.570 64.016 62.300 0.244 0.000 1.065 214 V CB -0.916 31.014 31.823 0.178 0.000 0.681 214 V HN 0.503 nan 8.190 nan 0.000 0.462 215 N N 0.936 119.731 118.700 0.159 0.000 2.084 215 N HA -0.105 4.635 4.740 0.000 0.000 0.190 215 N C 1.946 177.509 175.510 0.088 0.000 1.030 215 N CA 1.679 54.799 53.050 0.116 0.000 0.849 215 N CB -0.557 37.983 38.487 0.087 0.000 1.012 215 N HN 0.460 nan 8.380 nan 0.000 0.423 216 A N 0.399 123.296 122.820 0.127 0.000 1.908 216 A HA -0.226 4.094 4.320 0.000 0.000 0.218 216 A C 2.122 179.730 177.584 0.039 0.000 1.181 216 A CA 1.947 54.041 52.037 0.096 0.000 0.627 216 A CB -0.986 18.131 19.000 0.195 0.000 0.818 216 A HN 0.467 nan 8.150 nan 0.000 0.445 217 H N -0.274 118.771 119.070 -0.042 0.000 2.321 217 H HA 0.062 4.618 4.556 0.000 0.000 0.300 217 H C 2.220 177.480 175.328 -0.113 0.000 1.087 217 H CA 1.944 57.884 56.048 -0.180 0.000 1.319 217 H CB -0.251 29.251 29.762 -0.433 0.000 1.379 217 H HN 0.397 nan 8.280 nan 0.000 0.501 218 A N -0.322 122.528 122.820 0.051 0.000 1.902 218 A HA -0.189 4.131 4.320 0.000 0.000 0.217 218 A C 2.713 180.291 177.584 -0.010 0.000 1.181 218 A CA 1.513 53.585 52.037 0.058 0.000 0.623 218 A CB -1.240 17.825 19.000 0.108 0.000 0.818 218 A HN 0.650 nan 8.150 nan 0.000 0.443 219 C N -1.298 118.012 119.300 0.016 0.000 2.422 219 C HA -0.043 4.417 4.460 0.000 0.000 0.279 219 C C 2.791 177.762 174.990 -0.032 0.000 1.305 219 C CA 1.149 60.216 59.018 0.082 0.000 1.757 219 C CB -1.339 26.476 27.740 0.125 0.000 1.962 219 C HN 0.726 nan 8.230 nan 0.000 0.499 220 R N -0.121 120.261 120.500 -0.196 0.000 2.073 220 R HA -0.132 4.208 4.340 0.000 0.000 0.234 220 R C 2.254 178.343 176.300 -0.353 0.000 1.134 220 R CA 1.557 57.456 56.100 -0.336 0.000 0.952 220 R CB -0.421 29.579 30.300 -0.500 0.000 0.850 220 R HN 0.608 nan 8.270 nan 0.000 0.433 221 H N 0.552 119.487 119.070 -0.224 0.000 2.326 221 H HA -0.089 4.467 4.556 0.000 0.000 0.301 221 H C 2.202 177.516 175.328 -0.024 0.000 1.081 221 H CA 1.614 57.582 56.048 -0.135 0.000 1.334 221 H CB -0.201 29.483 29.762 -0.130 0.000 1.385 221 H HN 0.247 nan 8.280 nan 0.000 0.504 222 L N -0.161 121.027 121.223 -0.059 0.000 2.131 222 L HA -0.085 4.255 4.340 0.000 0.000 0.210 222 L C 2.750 179.448 176.870 -0.285 0.000 1.092 222 L CA 1.047 55.661 54.840 -0.375 0.000 0.759 222 L CB -0.759 40.684 42.059 -1.026 0.000 0.903 222 L HN 0.299 nan 8.230 nan 0.000 0.435 223 G N -0.143 108.629 108.800 -0.046 0.000 2.422 223 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 223 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 223 G C 1.406 176.391 174.900 0.143 0.000 1.146 223 G CA 0.483 45.738 45.100 0.259 0.000 0.769 223 G HN 0.311 nan 8.290 nan 0.000 0.547 224 N N 0.095 118.774 118.700 -0.034 0.000 2.188 224 N HA -0.083 4.657 4.740 0.000 0.000 0.184 224 N C 1.850 177.276 175.510 -0.141 0.000 1.018 224 N CA 0.840 53.816 53.050 -0.124 0.000 0.858 224 N CB -0.329 38.024 38.487 -0.223 0.000 0.989 224 N HN 0.570 nan 8.380 nan 0.000 0.426 225 W N 1.679 122.932 121.300 -0.078 0.000 2.388 225 W HA 0.051 4.711 4.660 0.000 0.000 0.294 225 W C 2.513 179.007 176.519 -0.041 0.000 1.212 225 W CA 1.168 58.465 57.345 -0.081 0.000 1.271 225 W CB -0.451 28.917 29.460 -0.153 0.000 1.126 225 W HN 0.031 nan 8.180 nan 0.000 0.535 226 A N -0.103 122.838 122.820 0.201 0.000 1.908 226 A HA -0.198 4.123 4.320 0.000 0.000 0.218 226 A C 2.005 179.675 177.584 0.143 0.000 1.181 226 A CA 2.262 54.432 52.037 0.222 0.000 0.627 226 A CB -1.136 18.092 19.000 0.380 0.000 0.818 226 A HN 0.101 nan 8.150 nan 0.000 0.445 227 V N -0.348 119.635 119.914 0.115 0.000 2.270 227 V HA -0.208 3.912 4.120 0.000 0.000 0.245 227 V C 3.078 179.155 176.094 -0.028 0.000 1.043 227 V CA 1.923 64.234 62.300 0.017 0.000 1.014 227 V CB -1.226 30.614 31.823 0.029 0.000 0.645 227 V HN 0.621 nan 8.190 nan 0.000 0.447 228 A N -0.252 122.542 122.820 -0.043 0.000 1.908 228 A HA -0.163 4.157 4.320 0.000 0.000 0.218 228 A C 2.181 179.782 177.584 0.028 0.000 1.181 228 A CA 1.846 53.846 52.037 -0.062 0.000 0.627 228 A CB -0.537 18.341 19.000 -0.203 0.000 0.818 228 A HN 0.523 nan 8.150 nan 0.000 0.445 229 L N -1.144 120.136 121.223 0.094 0.000 2.156 229 L HA -0.096 4.244 4.340 0.000 0.000 0.208 229 L C 2.654 179.586 176.870 0.103 0.000 1.095 229 L CA 1.482 56.395 54.840 0.122 0.000 0.770 229 L CB -0.896 41.260 42.059 0.160 0.000 0.914 229 L HN 0.309 nan 8.230 nan 0.000 0.439 230 T N 0.194 114.800 114.554 0.088 0.000 2.777 230 T HA -0.129 4.221 4.350 0.000 0.000 0.266 230 T C 2.057 176.865 174.700 0.181 0.000 1.040 230 T CA 1.336 63.500 62.100 0.106 0.000 1.141 230 T CB -0.108 68.771 68.868 0.019 0.000 0.868 230 T HN 0.432 nan 8.240 nan 0.000 0.444 231 A N 1.192 124.082 122.820 0.116 0.000 1.898 231 A HA 0.018 4.338 4.320 0.000 0.000 0.216 231 A C 2.195 179.893 177.584 0.192 0.000 1.181 231 A CA 1.123 53.290 52.037 0.216 0.000 0.620 231 A CB -0.752 18.306 19.000 0.097 0.000 0.819 231 A HN 0.396 nan 8.150 nan 0.000 0.442 232 L N -0.769 120.525 121.223 0.119 0.000 2.141 232 L HA -0.054 4.286 4.340 0.000 0.000 0.209 232 L C 2.174 179.097 176.870 0.089 0.000 1.094 232 L CA 1.650 56.544 54.840 0.090 0.000 0.763 232 L CB -0.638 41.465 42.059 0.072 0.000 0.908 232 L HN 0.374 nan 8.230 nan 0.000 0.437 233 L N -0.210 121.077 121.223 0.107 0.000 2.046 233 L HA -0.091 4.249 4.340 0.000 0.000 0.208 233 L C 2.479 179.404 176.870 0.092 0.000 1.077 233 L CA 2.024 56.918 54.840 0.091 0.000 0.747 233 L CB -0.978 41.144 42.059 0.106 0.000 0.896 233 L HN 0.251 nan 8.230 nan 0.000 0.432 234 A N -0.800 122.107 122.820 0.145 0.000 1.933 234 A HA -0.207 4.113 4.320 0.000 0.000 0.218 234 A C 2.127 179.730 177.584 0.032 0.000 1.175 234 A CA 1.762 53.849 52.037 0.082 0.000 0.628 234 A CB -0.606 18.460 19.000 0.110 0.000 0.814 234 A HN 0.631 nan 8.150 nan 0.000 0.444 235 E N -1.136 119.098 120.200 0.057 0.000 2.347 235 E HA -0.116 4.234 4.350 0.000 0.000 0.196 235 E C 1.601 178.213 176.600 0.020 0.000 1.008 235 E CA 0.882 57.301 56.400 0.032 0.000 0.852 235 E CB -0.241 29.485 29.700 0.044 0.000 0.783 235 E HN 0.680 nan 8.360 nan 0.000 0.505 236 C N -0.074 119.240 119.300 0.023 0.000 2.590 236 C HA 0.167 4.627 4.460 0.000 0.000 0.272 236 C C 1.738 176.730 174.990 0.002 0.000 1.338 236 C CA -0.011 59.014 59.018 0.011 0.000 1.746 236 C CB -0.125 27.620 27.740 0.009 0.000 2.020 236 C HN 0.317 nan 8.230 nan 0.000 0.531 237 L N -0.023 121.202 121.223 0.003 0.000 3.066 237 L HA 0.285 4.625 4.340 0.000 0.000 0.265 237 L C 0.346 177.206 176.870 -0.016 0.000 1.232 237 L CA -0.048 54.789 54.840 -0.005 0.000 1.031 237 L CB -0.275 41.785 42.059 0.001 0.000 1.379 237 L HN 0.237 nan 8.230 nan 0.000 0.563 238 R N 0.465 120.953 120.500 -0.019 0.000 3.416 238 R HA -0.153 4.187 4.340 0.000 0.000 0.263 238 R C 0.715 176.979 176.300 -0.060 0.000 1.053 238 R CA 0.417 56.499 56.100 -0.031 0.000 0.705 238 R CB -2.006 28.283 30.300 -0.019 0.000 1.124 238 R HN 0.502 nan 8.270 nan 0.000 0.444 239 G N 0.662 109.410 108.800 -0.086 0.000 2.554 239 G HA2 0.177 4.137 3.960 0.000 0.000 0.238 239 G HA3 0.177 4.137 3.960 0.000 0.000 0.238 239 G C 0.019 174.769 174.900 -0.250 0.000 1.259 239 G CA -0.542 44.460 45.100 -0.164 0.000 0.843 239 G HN 0.238 nan 8.290 nan 0.000 0.582 240 R N 0.560 120.881 120.500 -0.300 0.000 2.202 240 R HA 0.240 4.580 4.340 0.000 0.000 0.334 240 R C 1.557 177.541 176.300 -0.526 0.000 1.036 240 R CA 0.177 56.096 56.100 -0.303 0.000 0.878 240 R CB 0.920 31.107 30.300 -0.189 0.000 1.067 240 R HN 0.703 nan 8.270 nan 0.000 0.457 241 T N -1.266 113.026 114.554 -0.438 0.000 3.085 241 T HA -0.143 4.207 4.350 0.000 0.000 0.263 241 T C 1.489 176.042 174.700 -0.244 0.000 1.127 241 T CA 0.877 62.708 62.100 -0.447 0.000 1.103 241 T CB -0.012 68.742 68.868 -0.190 0.000 0.921 241 T HN 0.738 nan 8.240 nan 0.000 0.510 242 E N 1.892 121.982 120.200 -0.183 0.000 2.209 242 E HA -0.101 4.249 4.350 0.000 0.000 0.196 242 E C 2.211 178.779 176.600 -0.053 0.000 0.993 242 E CA 1.071 57.422 56.400 -0.082 0.000 0.819 242 E CB -0.600 29.065 29.700 -0.058 0.000 0.745 242 E HN 0.626 nan 8.360 nan 0.000 0.477 243 A N 0.481 123.223 122.820 -0.130 0.000 2.119 243 A HA -0.081 4.239 4.320 0.000 0.000 0.217 243 A C 1.009 178.722 177.584 0.215 0.000 1.153 243 A CA 0.685 52.711 52.037 -0.019 0.000 0.692 243 A CB -0.554 18.398 19.000 -0.080 0.000 0.799 243 A HN 0.517 nan 8.150 nan 0.000 0.458 244 W N -0.268 121.030 121.300 -0.004 0.000 3.239 244 W HA 0.596 5.256 4.660 0.000 0.000 0.368 244 W C 0.820 177.339 176.519 -0.000 0.000 1.154 244 W CA -1.087 56.257 57.345 -0.002 0.000 1.860 244 W CB -1.313 28.148 29.460 0.001 0.000 1.094 244 W HN 0.342 nan 8.180 nan 0.000 0.643 245 A N 0.870 123.800 122.820 0.183 0.000 2.498 245 A HA 0.416 4.736 4.320 0.000 0.000 0.239 245 A C 1.688 179.324 177.584 0.088 0.000 1.068 245 A CA 0.728 52.829 52.037 0.107 0.000 0.766 245 A CB 0.564 19.600 19.000 0.060 0.000 1.003 245 A HN 0.258 nan 8.150 nan 0.000 0.497 246 A N 2.553 125.413 122.820 0.067 0.000 1.972 246 A HA 0.118 4.438 4.320 0.000 0.000 0.219 246 A C 2.366 179.971 177.584 0.036 0.000 1.169 246 A CA 2.242 54.308 52.037 0.048 0.000 0.635 246 A CB -0.940 18.082 19.000 0.037 0.000 0.810 246 A HN 1.751 nan 8.150 nan 0.000 0.446 247 A N -0.217 122.623 122.820 0.032 0.000 1.940 247 A HA -0.105 4.215 4.320 0.000 0.000 0.219 247 A C 2.158 179.755 177.584 0.022 0.000 1.176 247 A CA 1.574 53.625 52.037 0.022 0.000 0.631 247 A CB -0.559 18.452 19.000 0.019 0.000 0.814 247 A HN 0.494 nan 8.150 nan 0.000 0.446 248 L N -0.624 120.618 121.223 0.032 0.000 2.093 248 L HA -0.146 4.194 4.340 0.000 0.000 0.208 248 L C 2.862 179.748 176.870 0.026 0.000 1.085 248 L CA 1.377 56.235 54.840 0.030 0.000 0.755 248 L CB -0.396 41.691 42.059 0.046 0.000 0.904 248 L HN 0.353 nan 8.230 nan 0.000 0.435 249 S N -0.231 115.489 115.700 0.034 0.000 2.356 249 S HA -0.193 4.277 4.470 0.000 0.000 0.223 249 S C 1.477 176.083 174.600 0.009 0.000 1.032 249 S CA 1.438 59.655 58.200 0.028 0.000 1.005 249 S CB -0.307 62.913 63.200 0.033 0.000 0.867 249 S HN 0.456 nan 8.310 nan 0.000 0.449 250 D N 1.353 121.758 120.400 0.007 0.000 2.218 250 D HA -0.024 4.616 4.640 0.000 0.000 0.204 250 D C 1.683 177.973 176.300 -0.017 0.000 0.976 250 D CA 0.644 54.641 54.000 -0.005 0.000 0.853 250 D CB -0.252 40.547 40.800 -0.000 0.000 0.939 250 D HN 0.345 nan 8.370 nan 0.000 0.481 251 L N -0.540 120.675 121.223 -0.012 0.000 2.313 251 L HA 0.032 4.372 4.340 0.000 0.000 0.214 251 L C 1.574 178.421 176.870 -0.039 0.000 1.119 251 L CA 0.486 55.314 54.840 -0.020 0.000 0.809 251 L CB 0.174 42.227 42.059 -0.009 0.000 0.933 251 L HN -0.183 nan 8.230 nan 0.000 0.449 252 R N 0.747 121.222 120.500 -0.042 0.000 2.644 252 R HA 0.189 4.529 4.340 0.000 0.000 0.271 252 R C -2.094 174.137 176.300 -0.116 0.000 1.687 252 R CA -1.376 54.675 56.100 -0.083 0.000 1.655 252 R CB 0.838 31.130 30.300 -0.014 0.000 1.285 252 R HN -0.135 nan 8.270 nan 0.000 0.643 253 P HA -0.128 nan 4.420 nan 0.000 0.316 253 P C -0.605 176.630 177.300 -0.108 0.000 1.508 253 P CA 0.411 63.446 63.100 -0.108 0.000 0.741 253 P CB -0.349 31.296 31.700 -0.091 0.000 1.593 254 H N 0.686 119.756 119.070 0.001 0.000 2.929 254 H HA 0.068 4.624 4.556 0.000 0.000 0.317 254 H C -1.249 174.091 175.328 0.020 0.000 1.031 254 H CA -1.399 54.652 56.048 0.005 0.000 1.466 254 H CB 0.352 30.111 29.762 -0.004 0.000 1.482 254 H HN 0.080 nan 8.280 nan 0.000 0.561 255 P HA -0.166 nan 4.420 nan 0.000 0.215 255 P C 1.650 179.024 177.300 0.124 0.000 1.157 255 P CA 1.764 64.927 63.100 0.106 0.000 0.874 255 P CB 0.088 31.844 31.700 0.094 0.000 0.790 256 G N -0.505 108.387 108.800 0.152 0.000 2.422 256 G HA2 -0.302 3.658 3.960 0.000 0.000 0.218 256 G HA3 -0.302 3.658 3.960 0.000 0.000 0.218 256 G C 1.678 176.676 174.900 0.163 0.000 1.146 256 G CA 0.719 45.942 45.100 0.205 0.000 0.769 256 G HN 0.329 nan 8.290 nan 0.000 0.547 257 Q N 0.102 119.962 119.800 0.099 0.000 2.083 257 Q HA -0.058 4.282 4.340 0.000 0.000 0.198 257 Q C 2.468 178.499 176.000 0.051 0.000 0.969 257 Q CA 1.497 57.328 55.803 0.046 0.000 0.838 257 Q CB -0.198 28.583 28.738 0.071 0.000 0.900 257 Q HN 0.507 nan 8.270 nan 0.000 0.436 258 K N 0.169 120.610 120.400 0.069 0.000 2.063 258 K HA -0.230 4.090 4.320 0.000 0.000 0.208 258 K C 1.675 178.305 176.600 0.050 0.000 1.048 258 K CA 1.872 58.189 56.287 0.050 0.000 0.928 258 K CB -0.163 32.364 32.500 0.045 0.000 0.713 258 K HN 0.194 nan 8.250 nan 0.000 0.442 259 D N -0.051 120.396 120.400 0.077 0.000 2.097 259 D HA -0.104 4.536 4.640 0.000 0.000 0.197 259 D C 1.723 178.082 176.300 0.098 0.000 0.984 259 D CA 1.558 55.606 54.000 0.079 0.000 0.826 259 D CB -0.092 40.766 40.800 0.096 0.000 0.973 259 D HN 0.316 nan 8.370 nan 0.000 0.460 260 A N 0.578 123.494 122.820 0.159 0.000 1.883 260 A HA -0.012 4.308 4.320 0.000 0.000 0.217 260 A C 2.402 179.939 177.584 -0.078 0.000 1.186 260 A CA 2.477 54.578 52.037 0.105 0.000 0.624 260 A CB -1.173 17.795 19.000 -0.054 0.000 0.822 260 A HN 0.335 nan 8.150 nan 0.000 0.444 261 A N -0.288 122.484 122.820 -0.081 0.000 1.902 261 A HA 0.176 4.496 4.320 0.000 0.000 0.217 261 A C 2.504 180.058 177.584 -0.050 0.000 1.181 261 A CA 2.083 54.056 52.037 -0.106 0.000 0.623 261 A CB -0.992 18.004 19.000 -0.007 0.000 0.818 261 A HN 1.071 nan 8.150 nan 0.000 0.443 262 A N -0.204 122.610 122.820 -0.011 0.000 1.902 262 A HA -0.148 4.172 4.320 0.000 0.000 0.217 262 A C 2.233 179.807 177.584 -0.016 0.000 1.181 262 A CA 1.588 53.627 52.037 0.003 0.000 0.623 262 A CB -0.415 18.590 19.000 0.009 0.000 0.818 262 A HN 0.540 nan 8.150 nan 0.000 0.443 263 R N -0.642 119.836 120.500 -0.035 0.000 2.092 263 R HA 0.055 4.395 4.340 0.000 0.000 0.231 263 R C 2.002 178.248 176.300 -0.090 0.000 1.119 263 R CA 1.174 57.243 56.100 -0.051 0.000 0.970 263 R CB -0.418 29.860 30.300 -0.036 0.000 0.864 263 R HN 0.497 nan 8.270 nan 0.000 0.440 264 L N 0.142 121.256 121.223 -0.183 0.000 2.056 264 L HA -0.155 4.185 4.340 0.000 0.000 0.207 264 L C 2.528 179.376 176.870 -0.037 0.000 1.078 264 L CA 1.396 56.038 54.840 -0.330 0.000 0.749 264 L CB -0.320 41.154 42.059 -0.975 0.000 0.901 264 L HN 0.137 nan 8.230 nan 0.000 0.433 265 R N -0.143 120.394 120.500 0.062 0.000 2.091 265 R HA -0.163 4.177 4.340 0.000 0.000 0.238 265 R C 2.396 178.752 176.300 0.093 0.000 1.136 265 R CA 1.403 57.601 56.100 0.163 0.000 0.959 265 R CB -0.550 29.827 30.300 0.128 0.000 0.856 265 R HN 0.368 nan 8.270 nan 0.000 0.437 266 A N 1.307 124.150 122.820 0.037 0.000 1.902 266 A HA -0.150 4.170 4.320 0.000 0.000 0.217 266 A C 2.063 179.658 177.584 0.017 0.000 1.181 266 A CA 1.100 53.147 52.037 0.018 0.000 0.623 266 A CB -0.279 18.716 19.000 -0.007 0.000 0.818 266 A HN 0.105 nan 8.150 nan 0.000 0.443 267 R N -0.194 120.312 120.500 0.011 0.000 2.091 267 R HA -0.121 4.219 4.340 0.000 0.000 0.238 267 R C 1.936 178.266 176.300 0.050 0.000 1.136 267 R CA 1.763 57.870 56.100 0.011 0.000 0.959 267 R CB -1.371 28.925 30.300 -0.007 0.000 0.856 267 R HN 0.677 nan 8.270 nan 0.000 0.437 268 V N -0.787 119.188 119.914 0.101 0.000 3.633 268 V HA 0.106 4.226 4.120 0.000 0.000 0.283 268 V C 0.199 176.334 176.094 0.067 0.000 1.305 268 V CA -0.557 61.807 62.300 0.107 0.000 1.153 268 V CB -0.583 31.349 31.823 0.181 0.000 0.950 268 V HN -0.075 nan 8.190 nan 0.000 0.432 269 D N 1.416 121.847 120.400 0.052 0.000 2.458 269 D HA 0.410 5.050 4.640 0.000 0.000 0.243 269 D C 1.466 177.778 176.300 0.020 0.000 1.146 269 D CA 1.914 55.933 54.000 0.032 0.000 0.877 269 D CB 0.562 41.376 40.800 0.023 0.000 1.176 269 D HN 0.565 nan 8.370 nan 0.000 0.461 270 G N 2.381 111.188 108.800 0.012 0.000 2.176 270 G HA2 -0.273 3.688 3.960 0.000 0.000 0.253 270 G HA3 -0.273 3.688 3.960 0.000 0.000 0.253 270 G C 0.469 175.373 174.900 0.006 0.000 0.979 270 G CA 0.376 45.480 45.100 0.007 0.000 0.641 270 G HN 0.790 nan 8.290 nan 0.000 0.530 271 S N 0.095 115.800 115.700 0.010 0.000 2.565 271 S HA 0.660 5.130 4.470 0.000 0.000 0.276 271 S C 1.237 175.833 174.600 -0.006 0.000 1.326 271 S CA 0.806 59.011 58.200 0.008 0.000 1.045 271 S CB 1.313 64.524 63.200 0.018 0.000 0.918 271 S HN 1.609 nan 8.310 nan 0.000 0.505 272 A N 5.156 127.973 122.820 -0.005 0.000 2.470 272 A HA 0.337 4.657 4.320 0.000 0.000 0.251 272 A C 1.720 179.298 177.584 -0.011 0.000 1.245 272 A CA -0.357 51.673 52.037 -0.011 0.000 0.932 272 A CB 0.079 19.077 19.000 -0.004 0.000 1.037 272 A HN 0.729 nan 8.150 nan 0.000 0.522 273 R N -0.153 120.342 120.500 -0.008 0.000 2.265 273 R HA 0.106 4.446 4.340 0.000 0.000 0.194 273 R C 0.818 177.105 176.300 -0.021 0.000 0.931 273 R CA 0.925 57.021 56.100 -0.007 0.000 1.032 273 R CB -0.403 29.899 30.300 0.002 0.000 0.980 273 R HN 0.495 nan 8.270 nan 0.000 0.497 274 V N -1.149 118.744 119.914 -0.036 0.000 3.036 274 V HA 0.418 4.538 4.120 0.000 0.000 0.308 274 V C 0.524 176.566 176.094 -0.087 0.000 1.070 274 V CA -0.890 61.367 62.300 -0.071 0.000 1.056 274 V CB 1.817 33.585 31.823 -0.091 0.000 1.084 274 V HN -0.259 nan 8.190 nan 0.000 0.471 275 V N 3.634 123.484 119.914 -0.106 0.000 2.370 275 V HA 0.457 4.577 4.120 0.000 0.000 0.279 275 V C 1.003 176.993 176.094 -0.172 0.000 1.029 275 V CA -0.287 61.958 62.300 -0.092 0.000 0.870 275 V CB 0.807 32.627 31.823 -0.005 0.000 0.984 275 V HN 0.931 nan 8.190 nan 0.000 0.451 276 R N 1.615 121.925 120.500 -0.317 0.000 2.362 276 R HA 0.189 4.529 4.340 0.000 0.000 0.227 276 R C -0.228 175.917 176.300 -0.259 0.000 0.905 276 R CA -0.178 55.755 56.100 -0.280 0.000 1.067 276 R CB 0.205 30.352 30.300 -0.255 0.000 1.078 276 R HN 0.786 nan 8.270 nan 0.000 0.516 277 H N 0.029 119.074 119.070 -0.043 0.000 2.803 277 H HA 0.105 4.661 4.556 0.000 0.000 0.330 277 H C -0.132 175.174 175.328 -0.037 0.000 1.057 277 H CA -0.382 55.647 56.048 -0.033 0.000 1.458 277 H CB 0.858 30.602 29.762 -0.029 0.000 1.470 277 H HN -0.222 nan 8.280 nan 0.000 0.560 278 V N 5.656 125.618 119.914 0.080 0.000 2.470 278 V HA -0.067 4.053 4.120 0.000 0.000 0.276 278 V C 1.859 177.978 176.094 0.042 0.000 1.040 278 V CA 0.150 62.471 62.300 0.036 0.000 1.008 278 V CB -0.201 31.634 31.823 0.021 0.000 0.990 278 V HN 0.855 nan 8.190 nan 0.000 0.477 279 I N 3.404 123.989 120.570 0.025 0.000 2.361 279 I HA -0.112 4.059 4.170 0.000 0.000 0.251 279 I C 2.072 178.192 176.117 0.005 0.000 1.133 279 I CA 1.880 63.187 61.300 0.011 0.000 1.413 279 I CB -0.279 37.722 38.000 0.001 0.000 1.073 279 I HN 0.570 nan 8.210 nan 0.000 0.424 280 A N 0.979 123.803 122.820 0.006 0.000 2.172 280 A HA -0.094 4.226 4.320 0.000 0.000 0.216 280 A C 2.128 179.715 177.584 0.004 0.000 1.154 280 A CA 1.060 53.100 52.037 0.004 0.000 0.701 280 A CB -0.508 18.494 19.000 0.004 0.000 0.789 280 A HN 0.493 nan 8.150 nan 0.000 0.465 281 E N 0.073 120.278 120.200 0.009 0.000 2.204 281 E HA -0.113 4.237 4.350 0.000 0.000 0.194 281 E C 1.147 177.747 176.600 0.000 0.000 0.989 281 E CA 0.276 56.681 56.400 0.009 0.000 0.824 281 E CB -0.215 29.497 29.700 0.020 0.000 0.756 281 E HN 0.621 nan 8.360 nan 0.000 0.477 282 R N 1.636 122.132 120.500 -0.006 0.000 2.401 282 R HA 0.082 4.422 4.340 0.000 0.000 0.299 282 R C -0.383 175.910 176.300 -0.012 0.000 1.064 282 R CA -0.011 56.080 56.100 -0.016 0.000 1.000 282 R CB 0.393 30.676 30.300 -0.028 0.000 0.973 282 R HN -0.129 nan 8.270 nan 0.000 0.438 283 R N 5.138 125.631 120.500 -0.012 0.000 2.229 283 R HA 0.280 4.620 4.340 0.000 0.000 0.328 283 R C -0.416 175.876 176.300 -0.012 0.000 1.009 283 R CA -0.538 55.556 56.100 -0.010 0.000 0.864 283 R CB 1.109 31.405 30.300 -0.008 0.000 1.085 283 R HN 0.465 nan 8.270 nan 0.000 0.453 284 L N 2.850 124.066 121.223 -0.011 0.000 2.399 284 L HA 0.326 4.666 4.340 0.000 0.000 0.266 284 L C 0.197 177.061 176.870 -0.010 0.000 1.114 284 L CA -0.454 54.379 54.840 -0.012 0.000 0.804 284 L CB 0.814 42.867 42.059 -0.011 0.000 1.146 284 L HN 0.680 nan 8.230 nan 0.000 0.451 285 D N 0.706 121.100 120.400 -0.010 0.000 2.566 285 D HA 0.419 5.059 4.640 0.000 0.000 0.254 285 D C 0.517 176.812 176.300 -0.008 0.000 1.090 285 D CA -0.345 53.650 54.000 -0.009 0.000 1.034 285 D CB 1.323 42.117 40.800 -0.009 0.000 1.434 285 D HN 0.425 nan 8.370 nan 0.000 0.509 286 A N 0.107 122.922 122.820 -0.007 0.000 1.958 286 A HA -0.034 4.286 4.320 0.000 0.000 0.221 286 A C 2.015 179.595 177.584 -0.008 0.000 1.178 286 A CA 2.378 54.411 52.037 -0.007 0.000 0.642 286 A CB -1.644 17.353 19.000 -0.006 0.000 0.816 286 A HN 0.727 nan 8.150 nan 0.000 0.453 287 G N -1.149 107.646 108.800 -0.008 0.000 2.559 287 G HA2 -0.100 3.860 3.960 0.000 0.000 0.216 287 G HA3 -0.100 3.860 3.960 0.000 0.000 0.216 287 G C 0.926 175.820 174.900 -0.011 0.000 1.126 287 G CA 1.005 46.099 45.100 -0.009 0.000 0.778 287 G HN 0.524 nan 8.290 nan 0.000 0.543 288 D N 0.214 120.607 120.400 -0.012 0.000 2.333 288 D HA 0.033 4.673 4.640 0.000 0.000 0.208 288 D C 0.881 177.174 176.300 -0.012 0.000 0.984 288 D CA -0.080 53.912 54.000 -0.013 0.000 0.873 288 D CB 0.482 41.273 40.800 -0.015 0.000 0.935 288 D HN 0.126 nan 8.370 nan 0.000 0.521 289 I N 1.679 122.243 120.570 -0.010 0.000 2.581 289 I HA 0.302 4.472 4.170 0.000 0.000 0.285 289 I C 1.308 177.420 176.117 -0.008 0.000 1.129 289 I CA 0.692 61.987 61.300 -0.008 0.000 1.397 289 I CB 0.002 37.998 38.000 -0.007 0.000 1.399 289 I HN -0.037 nan 8.210 nan 0.000 0.537 290 G N 5.326 114.122 108.800 -0.008 0.000 2.336 290 G HA2 0.181 4.141 3.960 0.000 0.000 0.286 290 G HA3 0.181 4.141 3.960 0.000 0.000 0.286 290 G C -1.165 173.730 174.900 -0.008 0.000 1.269 290 G CA -0.660 44.435 45.100 -0.008 0.000 0.873 290 G HN 0.340 nan 8.290 nan 0.000 0.494 291 T N 1.937 116.485 114.554 -0.008 0.000 2.744 291 T HA 0.546 4.896 4.350 0.000 0.000 0.291 291 T C -0.122 174.572 174.700 -0.010 0.000 0.957 291 T CA -0.177 61.917 62.100 -0.009 0.000 1.002 291 T CB 1.257 70.120 68.868 -0.008 0.000 0.919 291 T HN 0.428 nan 8.240 nan 0.000 0.468 292 E N 3.170 123.363 120.200 -0.011 0.000 2.283 292 E HA 0.212 4.562 4.350 0.000 0.000 0.267 292 E C -1.315 175.277 176.600 -0.013 0.000 1.045 292 E CA -2.037 54.355 56.400 -0.013 0.000 0.884 292 E CB 0.746 30.437 29.700 -0.016 0.000 1.106 292 E HN 0.330 nan 8.360 nan 0.000 0.408 293 P HA -0.149 nan 4.420 nan 0.000 0.215 293 P C -0.528 176.765 177.300 -0.013 0.000 1.157 293 P CA 1.467 64.559 63.100 -0.013 0.000 0.874 293 P CB 0.302 31.994 31.700 -0.013 0.000 0.790 294 E N -1.712 118.480 120.200 -0.013 0.000 2.369 294 E HA 0.603 4.953 4.350 0.000 0.000 0.270 294 E C -0.943 175.651 176.600 -0.011 0.000 0.909 294 E CA -1.172 55.221 56.400 -0.012 0.000 0.775 294 E CB 1.950 31.642 29.700 -0.013 0.000 1.270 294 E HN -0.079 nan 8.360 nan 0.000 0.445 295 A N 0.549 123.364 122.820 -0.009 0.000 2.406 295 A HA 0.394 4.714 4.320 0.000 0.000 0.243 295 A C 1.185 178.766 177.584 -0.005 0.000 1.082 295 A CA 0.390 52.424 52.037 -0.005 0.000 0.786 295 A CB 0.039 19.039 19.000 0.000 0.000 1.029 295 A HN 0.791 nan 8.150 nan 0.000 0.495 296 G N -0.434 108.364 108.800 -0.003 0.000 2.776 296 G HA2 0.263 4.223 3.960 0.000 0.000 0.209 296 G HA3 0.263 4.223 3.960 0.000 0.000 0.209 296 G C 0.454 175.351 174.900 -0.005 0.000 1.145 296 G CA 0.394 45.491 45.100 -0.005 0.000 0.791 296 G HN 0.729 nan 8.290 nan 0.000 0.530 297 Q N 0.073 119.875 119.800 0.003 0.000 2.423 297 Q HA 0.313 4.654 4.340 0.000 0.000 0.278 297 Q C -1.477 174.533 176.000 0.017 0.000 1.097 297 Q CA -1.045 54.763 55.803 0.008 0.000 0.809 297 Q CB 2.050 30.808 28.738 0.033 0.000 1.391 297 Q HN 0.023 nan 8.270 nan 0.000 0.428 298 D N 0.706 121.114 120.400 0.013 0.000 2.383 298 D HA 0.375 5.015 4.640 0.000 0.000 0.248 298 D C -0.151 176.205 176.300 0.093 0.000 1.170 298 D CA -0.122 53.895 54.000 0.028 0.000 0.977 298 D CB 0.840 41.641 40.800 0.001 0.000 1.120 298 D HN 0.625 nan 8.370 nan 0.000 0.481 299 A N 0.450 123.319 122.820 0.081 0.000 2.386 299 A HA -0.002 4.319 4.320 0.000 0.000 0.246 299 A C 0.636 178.369 177.584 0.249 0.000 1.089 299 A CA -0.065 52.034 52.037 0.103 0.000 0.790 299 A CB -0.091 18.930 19.000 0.034 0.000 1.042 299 A HN 0.540 nan 8.150 nan 0.000 0.497 300 Y N 0.961 121.277 120.300 0.027 0.000 2.207 300 Y HA -0.208 4.342 4.550 0.000 0.000 0.287 300 Y C 2.934 178.868 175.900 0.056 0.000 1.156 300 Y CA 1.661 59.784 58.100 0.038 0.000 1.182 300 Y CB -1.290 37.184 38.460 0.023 0.000 0.979 300 Y HN 0.742 nan 8.280 nan 0.000 0.521 301 S N -1.002 114.826 115.700 0.214 0.000 2.493 301 S HA -0.127 4.343 4.470 0.000 0.000 0.243 301 S C 1.774 176.478 174.600 0.173 0.000 0.991 301 S CA 1.231 59.523 58.200 0.152 0.000 0.957 301 S CB -0.558 62.708 63.200 0.108 0.000 0.756 301 S HN 0.468 nan 8.310 nan 0.000 0.521 302 L N -0.472 120.871 121.223 0.201 0.000 2.588 302 L HA 0.356 4.697 4.340 0.000 0.000 0.194 302 L C 2.707 179.787 176.870 0.349 0.000 1.070 302 L CA 0.167 55.174 54.840 0.279 0.000 0.852 302 L CB -0.207 41.952 42.059 0.165 0.000 1.199 302 L HN 0.152 nan 8.230 nan 0.000 0.486 303 R N 0.029 120.651 120.500 0.203 0.000 2.096 303 R HA -0.139 4.202 4.340 0.000 0.000 0.235 303 R C 1.514 177.905 176.300 0.152 0.000 1.127 303 R CA 1.841 58.034 56.100 0.154 0.000 0.968 303 R CB -0.191 30.160 30.300 0.085 0.000 0.861 303 R HN 0.394 nan 8.270 nan 0.000 0.440 304 C N 0.362 119.704 119.300 0.070 0.000 2.688 304 C HA 0.433 4.893 4.460 0.000 0.000 0.297 304 C C 2.076 177.069 174.990 0.004 0.000 1.308 304 C CA -0.387 58.612 59.018 -0.030 0.000 1.726 304 C CB -0.460 27.159 27.740 -0.202 0.000 1.982 304 C HN 0.613 nan 8.230 nan 0.000 0.604 305 A N 2.603 125.472 122.820 0.081 0.000 1.902 305 A HA -0.084 4.236 4.320 0.000 0.000 0.217 305 A C 0.001 177.493 177.584 -0.154 0.000 1.181 305 A CA 1.725 53.745 52.037 -0.029 0.000 0.623 305 A CB -1.453 17.536 19.000 -0.018 0.000 0.818 305 A HN 0.421 nan 8.150 nan 0.000 0.443 306 P HA -0.133 nan 4.420 nan 0.000 0.216 306 P C 1.255 178.472 177.300 -0.139 0.000 1.153 306 P CA 1.381 64.377 63.100 -0.173 0.000 0.848 306 P CB -0.031 31.614 31.700 -0.092 0.000 0.787 307 Q N -0.942 118.801 119.800 -0.096 0.000 2.083 307 Q HA -0.072 4.268 4.340 0.000 0.000 0.198 307 Q C 2.109 178.022 176.000 -0.146 0.000 0.969 307 Q CA 1.220 56.964 55.803 -0.098 0.000 0.838 307 Q CB -1.311 27.379 28.738 -0.080 0.000 0.900 307 Q HN 0.094 nan 8.270 nan 0.000 0.436 308 V N 0.194 120.018 119.914 -0.150 0.000 2.302 308 V HA -0.178 3.943 4.120 0.000 0.000 0.243 308 V C 2.062 178.000 176.094 -0.261 0.000 1.036 308 V CA 1.331 63.531 62.300 -0.165 0.000 1.020 308 V CB -0.547 31.207 31.823 -0.114 0.000 0.657 308 V HN 0.295 nan 8.190 nan 0.000 0.453 309 L N 0.628 121.645 121.223 -0.343 0.000 2.046 309 L HA -0.093 4.247 4.340 0.000 0.000 0.208 309 L C 2.673 179.002 176.870 -0.901 0.000 1.077 309 L CA 1.806 56.251 54.840 -0.659 0.000 0.747 309 L CB -1.215 40.440 42.059 -0.673 0.000 0.896 309 L HN 0.481 nan 8.230 nan 0.000 0.432 310 G N -0.370 108.123 108.800 -0.511 0.000 2.440 310 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 310 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 310 G C 1.766 176.562 174.900 -0.173 0.000 1.154 310 G CA 0.846 45.783 45.100 -0.272 0.000 0.767 310 G HN 0.475 nan 8.290 nan 0.000 0.552 311 A N 0.772 123.467 122.820 -0.207 0.000 1.930 311 A HA 0.192 4.512 4.320 0.000 0.000 0.217 311 A C 2.688 180.211 177.584 -0.103 0.000 1.175 311 A CA 2.010 53.946 52.037 -0.169 0.000 0.627 311 A CB -0.937 17.955 19.000 -0.180 0.000 0.815 311 A HN 0.505 nan 8.150 nan 0.000 0.443 312 G N -1.173 107.536 108.800 -0.151 0.000 2.408 312 G HA2 -0.094 3.866 3.960 0.000 0.000 0.217 312 G HA3 -0.094 3.866 3.960 0.000 0.000 0.217 312 G C 1.284 176.278 174.900 0.158 0.000 1.150 312 G CA 0.976 46.040 45.100 -0.059 0.000 0.776 312 G HN 0.371 nan 8.290 nan 0.000 0.542 313 F N 1.724 121.677 119.950 0.006 0.000 2.186 313 F HA 0.037 4.564 4.527 0.000 0.000 0.299 313 F C 2.285 178.110 175.800 0.041 0.000 1.090 313 F CA 0.388 58.404 58.000 0.026 0.000 1.307 313 F CB -0.615 38.394 39.000 0.014 0.000 1.019 313 F HN 0.117 nan 8.300 nan 0.000 0.489 314 D N -0.615 119.914 120.400 0.215 0.000 2.219 314 D HA -0.097 4.544 4.640 0.000 0.000 0.205 314 D C 2.193 178.602 176.300 0.180 0.000 0.970 314 D CA 1.334 55.426 54.000 0.152 0.000 0.851 314 D CB -0.315 40.523 40.800 0.062 0.000 0.943 314 D HN 0.203 nan 8.370 nan 0.000 0.488 315 T N 1.122 115.776 114.554 0.167 0.000 2.812 315 T HA -0.104 4.246 4.350 0.000 0.000 0.264 315 T C 1.903 176.771 174.700 0.280 0.000 1.042 315 T CA 0.331 62.569 62.100 0.230 0.000 1.140 315 T CB -0.190 68.766 68.868 0.146 0.000 0.870 315 T HN 0.039 nan 8.240 nan 0.000 0.445 316 L N 1.600 122.945 121.223 0.205 0.000 2.083 316 L HA 0.098 4.438 4.340 0.000 0.000 0.209 316 L C 2.574 179.562 176.870 0.196 0.000 1.083 316 L CA 1.745 56.681 54.840 0.159 0.000 0.752 316 L CB -1.029 41.104 42.059 0.125 0.000 0.899 316 L HN 0.219 nan 8.230 nan 0.000 0.433 317 A N -1.259 121.678 122.820 0.194 0.000 1.902 317 A HA -0.275 4.045 4.320 0.000 0.000 0.217 317 A C 2.122 179.844 177.584 0.230 0.000 1.181 317 A CA 1.729 53.870 52.037 0.173 0.000 0.623 317 A CB -1.402 17.691 19.000 0.155 0.000 0.818 317 A HN 0.740 nan 8.150 nan 0.000 0.443 318 W N 0.325 121.684 121.300 0.097 0.000 2.379 318 W HA -0.174 4.486 4.660 0.000 0.000 0.307 318 W C 2.257 178.842 176.519 0.111 0.000 1.200 318 W CA 1.904 59.301 57.345 0.088 0.000 1.297 318 W CB -0.781 28.724 29.460 0.076 0.000 1.140 318 W HN 0.621 nan 8.180 nan 0.000 0.507 319 H N 0.213 119.225 119.070 -0.097 0.000 2.319 319 H HA -0.185 4.371 4.556 0.000 0.000 0.297 319 H C 1.365 176.575 175.328 -0.197 0.000 1.097 319 H CA 2.470 58.351 56.048 -0.278 0.000 1.285 319 H CB -0.563 29.151 29.762 -0.080 0.000 1.368 319 H HN 0.067 nan 8.280 nan 0.000 0.495 320 D N 0.159 120.605 120.400 0.077 0.000 2.178 320 D HA -0.070 4.570 4.640 0.000 0.000 0.202 320 D C 2.604 178.871 176.300 -0.056 0.000 0.974 320 D CA 0.577 54.592 54.000 0.026 0.000 0.841 320 D CB -0.203 40.655 40.800 0.097 0.000 0.953 320 D HN 0.399 nan 8.370 nan 0.000 0.478 321 R N 0.230 120.704 120.500 -0.044 0.000 2.066 321 R HA -0.046 4.294 4.340 0.000 0.000 0.232 321 R C 2.319 178.557 176.300 -0.102 0.000 1.131 321 R CA 0.729 56.814 56.100 -0.026 0.000 0.955 321 R CB -0.435 29.897 30.300 0.054 0.000 0.851 321 R HN 0.097 nan 8.270 nan 0.000 0.432 322 V N 1.467 121.237 119.914 -0.240 0.000 2.343 322 V HA -0.220 3.900 4.120 0.000 0.000 0.247 322 V C 2.222 178.168 176.094 -0.246 0.000 1.051 322 V CA 1.398 63.537 62.300 -0.267 0.000 1.036 322 V CB -0.439 31.108 31.823 -0.460 0.000 0.654 322 V HN 0.230 nan 8.190 nan 0.000 0.451 323 L N 0.025 121.061 121.223 -0.311 0.000 2.083 323 L HA -0.137 4.203 4.340 0.000 0.000 0.209 323 L C 2.433 179.216 176.870 -0.146 0.000 1.083 323 L CA 2.339 57.023 54.840 -0.260 0.000 0.752 323 L CB -0.983 40.876 42.059 -0.333 0.000 0.899 323 L HN 0.334 nan 8.230 nan 0.000 0.433 324 T N -0.137 114.356 114.554 -0.101 0.000 2.746 324 T HA -0.155 4.195 4.350 0.000 0.000 0.267 324 T C 1.968 176.646 174.700 -0.037 0.000 1.039 324 T CA 1.979 64.052 62.100 -0.045 0.000 1.142 324 T CB -0.288 68.595 68.868 0.026 0.000 0.866 324 T HN 0.320 nan 8.240 nan 0.000 0.444 325 I N 0.690 121.229 120.570 -0.051 0.000 2.179 325 I HA -0.154 4.016 4.170 0.000 0.000 0.242 325 I C 2.728 178.791 176.117 -0.090 0.000 1.088 325 I CA 1.303 62.569 61.300 -0.057 0.000 1.357 325 I CB -0.313 37.632 38.000 -0.091 0.000 1.051 325 I HN 0.204 nan 8.210 nan 0.000 0.409 326 E N 1.259 121.384 120.200 -0.124 0.000 2.051 326 E HA -0.259 4.091 4.350 0.000 0.000 0.192 326 E C 2.024 178.571 176.600 -0.089 0.000 0.991 326 E CA 1.306 57.634 56.400 -0.119 0.000 0.799 326 E CB -0.284 29.341 29.700 -0.125 0.000 0.748 326 E HN 0.306 nan 8.360 nan 0.000 0.449 327 L N 0.976 122.145 121.223 -0.090 0.000 2.046 327 L HA -0.100 4.240 4.340 0.000 0.000 0.208 327 L C 1.173 177.991 176.870 -0.087 0.000 1.077 327 L CA 1.826 56.614 54.840 -0.086 0.000 0.747 327 L CB -0.426 41.574 42.059 -0.098 0.000 0.896 327 L HN 0.145 nan 8.230 nan 0.000 0.432 328 N N -0.040 118.608 118.700 -0.086 0.000 2.314 328 N HA 0.200 4.940 4.740 0.000 0.000 0.200 328 N C 0.229 175.720 175.510 -0.032 0.000 1.135 328 N CA 0.618 53.629 53.050 -0.064 0.000 0.835 328 N CB 0.235 38.698 38.487 -0.040 0.000 0.989 328 N HN 0.422 nan 8.380 nan 0.000 0.478 329 A N 0.149 122.942 122.820 -0.046 0.000 2.261 329 A HA 0.609 4.929 4.320 0.000 0.000 0.323 329 A C -0.049 177.512 177.584 -0.038 0.000 1.107 329 A CA -0.427 51.583 52.037 -0.045 0.000 0.883 329 A CB 1.101 20.059 19.000 -0.070 0.000 1.251 329 A HN -0.037 nan 8.150 nan 0.000 0.502 330 V N 1.301 121.193 119.914 -0.037 0.000 2.311 330 V HA 0.300 4.421 4.120 0.000 0.000 0.275 330 V C 0.899 176.972 176.094 -0.035 0.000 1.022 330 V CA 0.389 62.673 62.300 -0.027 0.000 0.830 330 V CB 0.599 32.409 31.823 -0.022 0.000 1.012 330 V HN 1.030 nan 8.190 nan 0.000 0.452 331 T N -0.693 113.850 114.554 -0.018 0.000 3.186 331 T HA 0.195 4.545 4.350 0.000 0.000 0.257 331 T C 0.175 174.901 174.700 0.043 0.000 1.029 331 T CA -0.508 61.589 62.100 -0.006 0.000 0.916 331 T CB -0.338 68.536 68.868 0.010 0.000 1.041 331 T HN 0.539 nan 8.240 nan 0.000 0.562 332 D N 2.453 122.869 120.400 0.027 0.000 2.344 332 D HA 0.508 5.148 4.640 0.000 0.000 0.244 332 D C -0.088 176.240 176.300 0.047 0.000 1.134 332 D CA 0.033 54.065 54.000 0.053 0.000 0.930 332 D CB 0.502 41.316 40.800 0.022 0.000 1.175 332 D HN 0.334 nan 8.370 nan 0.000 0.437 333 N N 0.065 118.823 118.700 0.098 0.000 2.537 333 N HA 0.285 5.025 4.740 0.000 0.000 0.281 333 N C -2.934 172.616 175.510 0.066 0.000 1.097 333 N CA -1.323 51.761 53.050 0.057 0.000 0.964 333 N CB 1.850 40.500 38.487 0.271 0.000 1.588 333 N HN 0.020 nan 8.380 nan 0.000 0.511 334 P HA 0.330 nan 4.420 nan 0.000 0.279 334 P C -0.876 176.119 177.300 -0.508 0.000 1.282 334 P CA -0.439 62.391 63.100 -0.450 0.000 0.788 334 P CB 0.916 32.127 31.700 -0.816 0.000 1.139 335 V N -3.970 115.560 119.914 -0.640 0.000 3.040 335 V HA 0.639 4.759 4.120 0.000 0.000 0.312 335 V C -1.039 174.595 176.094 -0.766 0.000 1.115 335 V CA -0.942 61.022 62.300 -0.560 0.000 0.998 335 V CB 1.670 33.351 31.823 -0.238 0.000 1.042 335 V HN 0.230 nan 8.190 nan 0.000 0.433 336 F N 1.725 121.659 119.950 -0.027 0.000 2.359 336 F HA 0.607 5.134 4.527 0.000 0.000 0.369 336 F C -2.413 173.382 175.800 -0.010 0.000 1.084 336 F CA -2.468 55.524 58.000 -0.014 0.000 1.096 336 F CB 1.290 40.287 39.000 -0.004 0.000 1.335 336 F HN 0.294 nan 8.300 nan 0.000 0.457 337 P HA -0.041 nan 4.420 nan 0.000 0.257 337 P C -1.973 175.370 177.300 0.072 0.000 1.162 337 P CA -0.521 62.612 63.100 0.055 0.000 0.762 337 P CB 0.416 32.135 31.700 0.033 0.000 0.753 338 P HA -0.187 nan 4.420 nan 0.000 0.218 338 P C 0.865 178.186 177.300 0.034 0.000 1.148 338 P CA 1.378 64.504 63.100 0.045 0.000 0.822 338 P CB -0.099 31.620 31.700 0.031 0.000 0.784 339 D N -1.655 118.763 120.400 0.029 0.000 2.347 339 D HA 0.013 4.653 4.640 0.000 0.000 0.215 339 D C 1.453 177.769 176.300 0.027 0.000 0.976 339 D CA 0.989 55.002 54.000 0.023 0.000 0.884 339 D CB -1.217 39.593 40.800 0.017 0.000 0.915 339 D HN 0.189 nan 8.370 nan 0.000 0.526 340 G N 0.061 108.885 108.800 0.039 0.000 2.143 340 G HA2 -0.371 3.589 3.960 0.000 0.000 0.248 340 G HA3 -0.371 3.589 3.960 0.000 0.000 0.248 340 G C 1.216 176.139 174.900 0.039 0.000 0.991 340 G CA 1.118 46.244 45.100 0.043 0.000 0.689 340 G HN 0.639 nan 8.290 nan 0.000 0.522 341 S N -1.388 114.332 115.700 0.033 0.000 2.359 341 S HA 0.177 4.647 4.470 0.000 0.000 0.224 341 S C 1.231 175.851 174.600 0.033 0.000 1.035 341 S CA 1.935 60.151 58.200 0.027 0.000 1.018 341 S CB -0.424 62.787 63.200 0.020 0.000 0.876 341 S HN 2.027 nan 8.310 nan 0.000 0.448 342 V N -3.199 116.740 119.914 0.042 0.000 2.962 342 V HA 0.569 4.689 4.120 0.000 0.000 0.313 342 V C -2.481 173.660 176.094 0.077 0.000 1.099 342 V CA -2.210 60.120 62.300 0.051 0.000 0.971 342 V CB 1.297 33.145 31.823 0.041 0.000 1.028 342 V HN -0.110 nan 8.190 nan 0.000 0.430 343 P HA 0.174 nan 4.420 nan 0.000 0.216 343 P C 0.306 177.732 177.300 0.211 0.000 1.150 343 P CA 2.225 65.415 63.100 0.150 0.000 0.837 343 P CB 0.177 31.963 31.700 0.143 0.000 0.786 344 A N -2.080 120.810 122.820 0.117 0.000 2.608 344 A HA 0.649 4.969 4.320 0.000 0.000 0.292 344 A C -1.901 175.653 177.584 -0.050 0.000 1.066 344 A CA -0.534 51.484 52.037 -0.031 0.000 0.676 344 A CB 0.480 19.425 19.000 -0.090 0.000 1.277 344 A HN -0.052 nan 8.150 nan 0.000 0.413 345 L N 1.057 122.164 121.223 -0.194 0.000 2.381 345 L HA 0.605 4.945 4.340 0.000 0.000 0.268 345 L C -1.142 175.582 176.870 -0.244 0.000 0.997 345 L CA -0.717 54.062 54.840 -0.102 0.000 0.818 345 L CB 2.345 44.347 42.059 -0.095 0.000 1.310 345 L HN 0.863 nan 8.230 nan 0.000 0.416 346 H N 0.998 120.003 119.070 -0.108 0.000 2.505 346 H HA 0.771 5.327 4.556 0.000 0.000 0.338 346 H C 0.142 175.410 175.328 -0.101 0.000 1.057 346 H CA -0.194 55.792 56.048 -0.103 0.000 1.202 346 H CB 2.022 31.724 29.762 -0.100 0.000 1.466 346 H HN 0.742 nan 8.280 nan 0.000 0.499 347 G N 0.535 109.312 108.800 -0.039 0.000 2.772 347 G HA2 0.447 4.407 3.960 0.000 0.000 0.284 347 G HA3 0.447 4.407 3.960 0.000 0.000 0.284 347 G C -0.349 174.399 174.900 -0.254 0.000 1.217 347 G CA -0.304 44.730 45.100 -0.111 0.000 0.831 347 G HN 0.682 nan 8.290 nan 0.000 0.523 348 G N 0.047 108.582 108.800 -0.442 0.000 4.716 348 G HA2 0.304 4.264 3.960 0.000 0.000 0.282 348 G HA3 0.304 4.264 3.960 0.000 0.000 0.282 348 G C 0.215 174.534 174.900 -0.969 0.000 1.173 348 G CA -0.160 44.325 45.100 -1.025 0.000 0.913 348 G HN 0.263 nan 8.290 nan 0.000 0.566 349 N N 0.851 119.178 118.700 -0.622 0.000 2.571 349 N HA -0.032 4.708 4.740 0.000 0.000 0.189 349 N C 1.433 176.795 175.510 -0.247 0.000 1.154 349 N CA 0.276 53.123 53.050 -0.338 0.000 0.907 349 N CB -0.124 38.253 38.487 -0.185 0.000 0.977 349 N HN 0.628 nan 8.380 nan 0.000 0.449 350 F N -1.258 118.674 119.950 -0.030 0.000 2.797 350 F HA 0.345 4.872 4.527 0.000 0.000 0.302 350 F C 0.780 176.577 175.800 -0.006 0.000 1.130 350 F CA -0.826 57.161 58.000 -0.021 0.000 1.387 350 F CB -0.698 38.290 39.000 -0.021 0.000 1.107 350 F HN -0.171 nan 8.300 nan 0.000 0.577 351 M N 2.672 122.255 119.600 -0.029 0.000 2.350 351 M HA 0.376 4.856 4.480 0.000 0.000 0.338 351 M C 0.962 177.309 176.300 0.078 0.000 1.559 351 M CA -0.507 54.846 55.300 0.088 0.000 1.217 351 M CB 0.222 32.798 32.600 -0.040 0.000 1.808 351 M HN 0.232 nan 8.290 nan 0.000 0.458 352 G N 3.403 112.266 108.800 0.106 0.000 3.452 352 G HA2 0.031 3.991 3.960 0.000 0.000 0.258 352 G HA3 0.031 3.991 3.960 0.000 0.000 0.258 352 G C 0.680 175.620 174.900 0.068 0.000 1.305 352 G CA -0.188 44.959 45.100 0.079 0.000 1.514 352 G HN 0.810 nan 8.290 nan 0.000 0.593 353 Q N -0.036 119.805 119.800 0.067 0.000 2.167 353 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 353 Q C 1.923 177.903 176.000 -0.034 0.000 0.970 353 Q CA 1.425 57.235 55.803 0.012 0.000 0.855 353 Q CB -0.108 28.616 28.738 -0.023 0.000 0.911 353 Q HN 0.715 nan 8.270 nan 0.000 0.438 354 H N -1.724 117.326 119.070 -0.033 0.000 2.326 354 H HA -0.059 4.497 4.556 0.000 0.000 0.301 354 H C 1.801 177.052 175.328 -0.129 0.000 1.081 354 H CA 1.755 57.758 56.048 -0.076 0.000 1.334 354 H CB -0.027 29.676 29.762 -0.098 0.000 1.385 354 H HN 0.068 nan 8.280 nan 0.000 0.504 355 V N 0.503 120.426 119.914 0.015 0.000 2.515 355 V HA -0.213 3.907 4.120 0.000 0.000 0.250 355 V C 2.482 178.566 176.094 -0.017 0.000 1.058 355 V CA 1.382 63.652 62.300 -0.051 0.000 1.064 355 V CB -0.898 30.907 31.823 -0.031 0.000 0.675 355 V HN 0.566 nan 8.190 nan 0.000 0.461 356 A N 0.007 122.832 122.820 0.008 0.000 1.877 356 A HA -0.155 4.165 4.320 0.000 0.000 0.216 356 A C 2.201 179.802 177.584 0.028 0.000 1.186 356 A CA 1.789 53.841 52.037 0.025 0.000 0.620 356 A CB -0.498 18.519 19.000 0.028 0.000 0.822 356 A HN 0.486 nan 8.150 nan 0.000 0.443 357 L N -0.173 121.057 121.223 0.012 0.000 2.093 357 L HA -0.137 4.203 4.340 0.000 0.000 0.208 357 L C 2.984 179.908 176.870 0.090 0.000 1.085 357 L CA 1.786 56.664 54.840 0.063 0.000 0.755 357 L CB -0.939 41.171 42.059 0.085 0.000 0.904 357 L HN 0.661 nan 8.230 nan 0.000 0.435 358 T N -4.532 109.976 114.554 -0.076 0.000 2.904 358 T HA -0.093 4.257 4.350 0.000 0.000 0.267 358 T C 2.026 176.812 174.700 0.143 0.000 1.059 358 T CA 1.252 63.259 62.100 -0.154 0.000 1.137 358 T CB -0.212 68.339 68.868 -0.528 0.000 0.879 358 T HN 0.113 nan 8.240 nan 0.000 0.467 359 S N 1.617 117.392 115.700 0.125 0.000 2.368 359 S HA -0.090 4.380 4.470 0.000 0.000 0.224 359 S C 1.853 176.516 174.600 0.106 0.000 1.029 359 S CA 1.188 59.480 58.200 0.153 0.000 0.988 359 S CB -0.516 62.751 63.200 0.112 0.000 0.838 359 S HN 0.523 nan 8.310 nan 0.000 0.462 360 D N 1.623 122.080 120.400 0.095 0.000 2.144 360 D HA 0.014 4.654 4.640 0.000 0.000 0.199 360 D C 2.098 178.453 176.300 0.092 0.000 0.984 360 D CA 1.144 55.193 54.000 0.081 0.000 0.834 360 D CB -0.396 40.447 40.800 0.071 0.000 0.955 360 D HN 0.374 nan 8.370 nan 0.000 0.465 361 A N 0.721 123.631 122.820 0.149 0.000 1.898 361 A HA -0.124 4.196 4.320 0.000 0.000 0.216 361 A C 2.140 179.797 177.584 0.122 0.000 1.181 361 A CA 0.901 53.046 52.037 0.179 0.000 0.620 361 A CB -0.676 18.557 19.000 0.387 0.000 0.819 361 A HN 0.238 nan 8.150 nan 0.000 0.442 362 L N -0.202 121.088 121.223 0.111 0.000 2.083 362 L HA -0.024 4.316 4.340 0.000 0.000 0.209 362 L C 2.628 179.487 176.870 -0.019 0.000 1.083 362 L CA 2.029 56.877 54.840 0.015 0.000 0.752 362 L CB -0.792 41.194 42.059 -0.122 0.000 0.899 362 L HN 0.343 nan 8.230 nan 0.000 0.433 363 A N -1.559 121.265 122.820 0.006 0.000 1.908 363 A HA -0.210 4.110 4.320 0.000 0.000 0.218 363 A C 2.263 179.826 177.584 -0.035 0.000 1.181 363 A CA 2.328 54.361 52.037 -0.006 0.000 0.627 363 A CB -1.179 17.834 19.000 0.022 0.000 0.818 363 A HN 0.504 nan 8.150 nan 0.000 0.445 364 T N 0.225 114.767 114.554 -0.019 0.000 2.737 364 T HA 0.006 4.356 4.350 0.000 0.000 0.265 364 T C 2.246 176.893 174.700 -0.087 0.000 1.038 364 T CA 1.553 63.629 62.100 -0.040 0.000 1.144 364 T CB -0.467 68.392 68.868 -0.015 0.000 0.866 364 T HN 0.601 nan 8.240 nan 0.000 0.434 365 A N 0.956 123.726 122.820 -0.083 0.000 1.933 365 A HA -0.058 4.262 4.320 0.000 0.000 0.218 365 A C 2.573 179.995 177.584 -0.270 0.000 1.175 365 A CA 1.319 53.275 52.037 -0.134 0.000 0.628 365 A CB -1.027 17.930 19.000 -0.073 0.000 0.814 365 A HN 0.356 nan 8.150 nan 0.000 0.444 366 V N -0.300 119.445 119.914 -0.282 0.000 2.407 366 V HA -0.213 3.908 4.120 0.000 0.000 0.248 366 V C 2.726 178.508 176.094 -0.520 0.000 1.055 366 V CA 2.432 64.428 62.300 -0.506 0.000 1.049 366 V CB -1.114 30.569 31.823 -0.233 0.000 0.662 366 V HN 0.621 nan 8.190 nan 0.000 0.455 367 T N -0.274 114.116 114.554 -0.275 0.000 2.821 367 T HA -0.136 4.214 4.350 0.000 0.000 0.267 367 T C 1.937 176.504 174.700 -0.220 0.000 1.046 367 T CA 1.464 63.443 62.100 -0.202 0.000 1.139 367 T CB -0.128 68.677 68.868 -0.105 0.000 0.871 367 T HN 0.281 nan 8.240 nan 0.000 0.454 368 V N 1.218 120.998 119.914 -0.223 0.000 2.307 368 V HA -0.095 4.025 4.120 0.000 0.000 0.245 368 V C 2.403 178.354 176.094 -0.238 0.000 1.045 368 V CA 1.320 63.509 62.300 -0.186 0.000 1.024 368 V CB -0.558 31.171 31.823 -0.157 0.000 0.651 368 V HN 0.314 nan 8.190 nan 0.000 0.449 369 L N 0.358 121.344 121.223 -0.394 0.000 2.093 369 L HA -0.057 4.283 4.340 0.000 0.000 0.208 369 L C 2.544 179.183 176.870 -0.385 0.000 1.085 369 L CA 2.108 56.696 54.840 -0.420 0.000 0.755 369 L CB -1.198 40.470 42.059 -0.652 0.000 0.904 369 L HN 0.292 nan 8.230 nan 0.000 0.435 370 A N -0.648 121.807 122.820 -0.609 0.000 1.969 370 A HA -0.049 4.271 4.320 0.000 0.000 0.218 370 A C 2.417 179.970 177.584 -0.052 0.000 1.169 370 A CA 1.448 53.330 52.037 -0.259 0.000 0.635 370 A CB -1.181 17.689 19.000 -0.216 0.000 0.810 370 A HN 0.425 nan 8.150 nan 0.000 0.445 371 G N -0.092 108.651 108.800 -0.096 0.000 2.408 371 G HA2 -0.115 3.845 3.960 0.000 0.000 0.217 371 G HA3 -0.115 3.845 3.960 0.000 0.000 0.217 371 G C 1.472 176.371 174.900 -0.000 0.000 1.150 371 G CA 1.150 46.229 45.100 -0.035 0.000 0.776 371 G HN 0.499 nan 8.290 nan 0.000 0.542 372 L N 1.446 122.664 121.223 -0.009 0.000 2.017 372 L HA 0.136 4.476 4.340 0.000 0.000 0.208 372 L C 3.035 179.948 176.870 0.071 0.000 1.073 372 L CA 2.335 57.193 54.840 0.029 0.000 0.745 372 L CB -0.805 41.264 42.059 0.016 0.000 0.894 372 L HN 0.216 nan 8.230 nan 0.000 0.432 373 A N -0.850 122.038 122.820 0.113 0.000 1.908 373 A HA -0.242 4.078 4.320 0.000 0.000 0.218 373 A C 2.330 179.975 177.584 0.102 0.000 1.181 373 A CA 1.781 53.906 52.037 0.147 0.000 0.627 373 A CB -0.812 18.340 19.000 0.253 0.000 0.818 373 A HN 0.605 nan 8.150 nan 0.000 0.445 374 E N -0.058 120.194 120.200 0.087 0.000 2.077 374 E HA -0.203 4.147 4.350 0.000 0.000 0.193 374 E C 2.074 178.709 176.600 0.057 0.000 0.989 374 E CA 0.928 57.368 56.400 0.068 0.000 0.800 374 E CB -0.213 29.520 29.700 0.055 0.000 0.746 374 E HN 0.383 nan 8.360 nan 0.000 0.452 375 R N 0.318 120.849 120.500 0.051 0.000 2.148 375 R HA -0.038 4.302 4.340 0.000 0.000 0.223 375 R C 2.367 178.696 176.300 0.049 0.000 1.088 375 R CA 0.810 56.937 56.100 0.046 0.000 0.985 375 R CB -0.389 29.936 30.300 0.042 0.000 0.880 375 R HN 0.401 nan 8.270 nan 0.000 0.451 376 Q N 0.021 119.856 119.800 0.059 0.000 2.119 376 Q HA -0.037 4.304 4.340 0.000 0.000 0.201 376 Q C 2.157 178.180 176.000 0.039 0.000 0.972 376 Q CA 1.087 56.925 55.803 0.057 0.000 0.847 376 Q CB -0.077 28.705 28.738 0.074 0.000 0.903 376 Q HN 0.308 nan 8.270 nan 0.000 0.433 377 I N 0.586 121.180 120.570 0.040 0.000 2.202 377 I HA -0.250 3.920 4.170 0.000 0.000 0.242 377 I C 2.422 178.563 176.117 0.039 0.000 1.091 377 I CA 0.916 62.233 61.300 0.028 0.000 1.368 377 I CB -0.403 37.621 38.000 0.040 0.000 1.058 377 I HN 0.145 nan 8.210 nan 0.000 0.410 378 A N 0.782 123.632 122.820 0.051 0.000 1.940 378 A HA -0.254 4.066 4.320 0.000 0.000 0.219 378 A C 2.436 180.032 177.584 0.021 0.000 1.176 378 A CA 1.936 54.006 52.037 0.054 0.000 0.631 378 A CB -0.633 18.399 19.000 0.052 0.000 0.814 378 A HN 0.396 nan 8.150 nan 0.000 0.446 379 R N -0.975 119.533 120.500 0.013 0.000 2.062 379 R HA -0.027 4.313 4.340 0.000 0.000 0.226 379 R C 2.026 178.312 176.300 -0.024 0.000 1.125 379 R CA 1.378 57.475 56.100 -0.004 0.000 0.966 379 R CB -0.408 29.898 30.300 0.010 0.000 0.861 379 R HN 0.388 nan 8.270 nan 0.000 0.433 380 L N 1.209 122.422 121.223 -0.016 0.000 2.131 380 L HA -0.114 4.226 4.340 0.000 0.000 0.210 380 L C 1.963 178.796 176.870 -0.061 0.000 1.092 380 L CA 2.438 57.258 54.840 -0.033 0.000 0.759 380 L CB -0.484 41.555 42.059 -0.032 0.000 0.903 380 L HN 0.451 nan 8.230 nan 0.000 0.435 381 T N -4.295 110.222 114.554 -0.061 0.000 3.081 381 T HA 0.030 4.380 4.350 0.000 0.000 0.250 381 T C 0.742 175.215 174.700 -0.379 0.000 1.100 381 T CA -0.119 61.908 62.100 -0.122 0.000 1.038 381 T CB -0.438 68.475 68.868 0.074 0.000 0.962 381 T HN 0.252 nan 8.240 nan 0.000 0.516 382 D N 2.637 122.889 120.400 -0.248 0.000 2.339 382 D HA 0.069 4.709 4.640 0.000 0.000 0.241 382 D C 1.291 177.466 176.300 -0.208 0.000 1.183 382 D CA -0.290 53.548 54.000 -0.270 0.000 0.859 382 D CB 1.305 42.032 40.800 -0.121 0.000 1.067 382 D HN 0.613 nan 8.370 nan 0.000 0.484 383 E N 3.281 123.336 120.200 -0.242 0.000 2.333 383 E HA -0.190 4.160 4.350 0.000 0.000 0.198 383 E C 1.065 177.619 176.600 -0.078 0.000 1.007 383 E CA 0.751 57.072 56.400 -0.132 0.000 0.845 383 E CB 0.089 29.729 29.700 -0.101 0.000 0.766 383 E HN 0.364 nan 8.360 nan 0.000 0.507 384 R N 0.005 120.461 120.500 -0.074 0.000 2.275 384 R HA 0.177 4.517 4.340 0.000 0.000 0.199 384 R C 1.662 177.938 176.300 -0.041 0.000 0.989 384 R CA 0.541 56.614 56.100 -0.044 0.000 1.016 384 R CB 0.193 30.473 30.300 -0.033 0.000 0.918 384 R HN 0.272 nan 8.270 nan 0.000 0.473 385 L N -0.032 121.161 121.223 -0.051 0.000 2.878 385 L HA 0.122 4.462 4.340 0.000 0.000 0.253 385 L C 0.547 177.394 176.870 -0.037 0.000 1.135 385 L CA -0.118 54.699 54.840 -0.039 0.000 0.943 385 L CB 0.240 42.278 42.059 -0.035 0.000 1.307 385 L HN 0.115 nan 8.230 nan 0.000 0.545 386 N N 0.851 119.521 118.700 -0.049 0.000 2.362 386 N HA -0.034 4.706 4.740 0.000 0.000 0.204 386 N C 0.041 175.532 175.510 -0.032 0.000 1.166 386 N CA -0.297 52.727 53.050 -0.042 0.000 0.831 386 N CB -0.180 38.272 38.487 -0.058 0.000 1.008 386 N HN 0.063 nan 8.380 nan 0.000 0.472 387 R N -0.456 120.028 120.500 -0.027 0.000 3.188 387 R HA -0.176 4.164 4.340 0.000 0.000 0.247 387 R C 0.782 177.071 176.300 -0.019 0.000 0.918 387 R CA 0.502 56.589 56.100 -0.021 0.000 0.629 387 R CB -2.091 28.199 30.300 -0.017 0.000 1.087 387 R HN 0.643 nan 8.270 nan 0.000 0.462 388 G N -0.991 107.797 108.800 -0.021 0.000 2.213 388 G HA2 -0.296 3.664 3.960 0.000 0.000 0.226 388 G HA3 -0.296 3.664 3.960 0.000 0.000 0.226 388 G C 0.276 175.165 174.900 -0.020 0.000 0.992 388 G CA 0.029 45.119 45.100 -0.017 0.000 0.632 388 G HN 0.256 nan 8.290 nan 0.000 0.511 389 L N 1.742 122.949 121.223 -0.027 0.000 2.436 389 L HA 0.412 4.752 4.340 0.000 0.000 0.265 389 L C -1.603 175.247 176.870 -0.034 0.000 1.168 389 L CA -1.936 52.885 54.840 -0.032 0.000 0.815 389 L CB 0.559 42.598 42.059 -0.034 0.000 1.109 389 L HN -0.069 nan 8.230 nan 0.000 0.462 390 P HA 0.059 nan 4.420 nan 0.000 0.269 390 P C -2.484 174.837 177.300 0.034 0.000 1.209 390 P CA -0.962 62.125 63.100 -0.021 0.000 0.776 390 P CB -0.154 31.411 31.700 -0.225 0.000 0.876 391 P HA -0.001 nan 4.420 nan 0.000 0.267 391 P C -0.226 177.136 177.300 0.103 0.000 1.209 391 P CA 0.311 63.369 63.100 -0.071 0.000 0.763 391 P CB -0.119 31.589 31.700 0.014 0.000 0.816 392 F N 1.519 121.569 119.950 0.167 0.000 3.069 392 F HA -0.246 4.281 4.527 0.000 0.000 0.285 392 F C 1.318 177.296 175.800 0.296 0.000 0.827 392 F CA 0.403 58.526 58.000 0.206 0.000 1.108 392 F CB -2.609 36.504 39.000 0.188 0.000 1.252 392 F HN 0.275 nan 8.300 nan 0.000 0.483 393 L N -1.749 119.633 121.223 0.266 0.000 3.839 393 L HA -0.313 4.027 4.340 0.000 0.000 0.416 393 L C 1.289 178.315 176.870 0.259 0.000 1.195 393 L CA 1.018 55.990 54.840 0.220 0.000 0.946 393 L CB -2.064 40.124 42.059 0.216 0.000 1.891 393 L HN 0.698 nan 8.230 nan 0.000 0.963 394 H N 0.453 119.654 119.070 0.218 0.000 2.603 394 H HA 0.672 5.228 4.556 0.000 0.000 0.370 394 H C 0.257 175.647 175.328 0.103 0.000 1.225 394 H CA -0.459 55.677 56.048 0.146 0.000 1.410 394 H CB 0.898 30.733 29.762 0.122 0.000 1.495 394 H HN 0.292 nan 8.280 nan 0.000 0.602 395 R N -0.126 120.398 120.500 0.041 0.000 2.888 395 R HA 0.485 4.825 4.340 0.000 0.000 0.266 395 R C -0.316 176.090 176.300 0.177 0.000 1.020 395 R CA -0.236 55.862 56.100 -0.002 0.000 0.963 395 R CB 2.108 32.421 30.300 0.022 0.000 1.197 395 R HN 1.107 nan 8.270 nan 0.000 0.481 396 G N 1.440 110.317 108.800 0.128 0.000 2.760 396 G HA2 -0.180 3.780 3.960 0.000 0.000 0.246 396 G HA3 -0.180 3.780 3.960 0.000 0.000 0.246 396 G C -2.734 172.293 174.900 0.212 0.000 1.359 396 G CA -1.258 43.925 45.100 0.139 0.000 0.861 396 G HN 0.389 nan 8.290 nan 0.000 0.541 397 P HA 0.455 nan 4.420 nan 0.000 0.264 397 P C 0.415 177.728 177.300 0.022 0.000 1.193 397 P CA 0.817 63.974 63.100 0.095 0.000 0.763 397 P CB 0.724 32.449 31.700 0.041 0.000 0.810 398 A N 3.470 126.288 122.820 -0.003 0.000 2.445 398 A HA 0.481 4.801 4.320 0.000 0.000 0.242 398 A C 1.581 179.054 177.584 -0.186 0.000 1.075 398 A CA 0.824 52.657 52.037 -0.339 0.000 0.777 398 A CB -0.925 18.004 19.000 -0.118 0.000 1.013 398 A HN 0.808 nan 8.150 nan 0.000 0.493 399 G N 0.434 109.106 108.800 -0.214 0.000 3.206 399 G HA2 -0.294 3.666 3.960 0.000 0.000 0.217 399 G HA3 -0.294 3.666 3.960 0.000 0.000 0.217 399 G C 1.126 175.973 174.900 -0.089 0.000 1.350 399 G CA 0.497 45.535 45.100 -0.102 0.000 0.836 399 G HN 0.814 nan 8.290 nan 0.000 0.548 400 L N 0.973 122.151 121.223 -0.075 0.000 2.093 400 L HA 0.113 4.453 4.340 0.000 0.000 0.208 400 L C 0.871 177.706 176.870 -0.057 0.000 1.085 400 L CA 1.048 55.858 54.840 -0.049 0.000 0.755 400 L CB -0.283 41.761 42.059 -0.024 0.000 0.904 400 L HN 0.327 nan 8.230 nan 0.000 0.435 401 N N -1.256 117.391 118.700 -0.088 0.000 2.362 401 N HA 0.183 4.923 4.740 0.000 0.000 0.298 401 N C -0.020 175.418 175.510 -0.121 0.000 1.048 401 N CA -0.094 52.918 53.050 -0.064 0.000 0.858 401 N CB 2.058 40.567 38.487 0.037 0.000 1.218 401 N HN -0.179 nan 8.380 nan 0.000 0.488 402 S N 0.203 115.869 115.700 -0.056 0.000 2.559 402 S HA 0.235 4.705 4.470 0.000 0.000 0.226 402 S C 1.304 175.941 174.600 0.062 0.000 1.000 402 S CA 0.022 58.198 58.200 -0.040 0.000 0.948 402 S CB 0.444 63.573 63.200 -0.119 0.000 0.870 402 S HN 0.921 nan 8.310 nan 0.000 0.497 403 G N 2.502 111.341 108.800 0.064 0.000 2.665 403 G HA2 -0.351 3.609 3.960 0.000 0.000 0.326 403 G HA3 -0.351 3.609 3.960 0.000 0.000 0.326 403 G C 0.263 175.069 174.900 -0.157 0.000 1.231 403 G CA 0.897 46.007 45.100 0.016 0.000 0.992 403 G HN 0.480 nan 8.290 nan 0.000 0.549 404 F N 1.306 121.346 119.950 0.151 0.000 2.664 404 F HA 0.480 5.007 4.527 0.000 0.000 0.301 404 F C 2.371 178.211 175.800 0.068 0.000 1.126 404 F CA 0.862 58.927 58.000 0.108 0.000 1.373 404 F CB 0.182 39.261 39.000 0.133 0.000 1.042 404 F HN 0.313 nan 8.300 nan 0.000 0.535 405 M N 0.001 119.612 119.600 0.018 0.000 2.149 405 M HA -0.121 4.359 4.480 0.000 0.000 0.261 405 M C 2.356 178.530 176.300 -0.210 0.000 1.064 405 M CA 2.187 57.228 55.300 -0.432 0.000 1.102 405 M CB -0.401 31.678 32.600 -0.869 0.000 1.369 405 M HN 0.319 nan 8.290 nan 0.000 0.408 406 G N -0.852 107.881 108.800 -0.111 0.000 2.394 406 G HA2 -0.081 3.879 3.960 0.000 0.000 0.214 406 G HA3 -0.081 3.879 3.960 0.000 0.000 0.214 406 G C 1.477 176.382 174.900 0.007 0.000 1.176 406 G CA 0.679 45.741 45.100 -0.063 0.000 0.786 406 G HN 0.602 nan 8.290 nan 0.000 0.533 407 A N -0.015 122.845 122.820 0.067 0.000 1.972 407 A HA -0.092 4.228 4.320 0.000 0.000 0.219 407 A C 2.261 179.916 177.584 0.118 0.000 1.169 407 A CA 2.015 54.122 52.037 0.117 0.000 0.635 407 A CB -0.395 18.746 19.000 0.235 0.000 0.810 407 A HN 0.387 nan 8.150 nan 0.000 0.446 408 Q N 0.073 119.958 119.800 0.142 0.000 2.050 408 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 408 Q C 2.095 178.149 176.000 0.089 0.000 0.980 408 Q CA 2.066 57.953 55.803 0.140 0.000 0.840 408 Q CB -0.303 28.572 28.738 0.227 0.000 0.898 408 Q HN 0.428 nan 8.270 nan 0.000 0.424 409 V N 0.615 120.561 119.914 0.053 0.000 2.427 409 V HA -0.205 3.915 4.120 0.000 0.000 0.248 409 V C 2.354 178.467 176.094 0.033 0.000 1.051 409 V CA 2.003 64.323 62.300 0.033 0.000 1.048 409 V CB -0.809 31.015 31.823 0.001 0.000 0.666 409 V HN 0.385 nan 8.190 nan 0.000 0.456 410 T N 0.444 115.018 114.554 0.034 0.000 2.746 410 T HA -0.169 4.181 4.350 0.000 0.000 0.267 410 T C 2.072 176.796 174.700 0.040 0.000 1.039 410 T CA 1.608 63.727 62.100 0.032 0.000 1.142 410 T CB -0.370 68.518 68.868 0.032 0.000 0.866 410 T HN 0.579 nan 8.240 nan 0.000 0.444 411 A N 1.198 124.049 122.820 0.051 0.000 1.902 411 A HA -0.127 4.193 4.320 0.000 0.000 0.217 411 A C 2.547 180.162 177.584 0.051 0.000 1.181 411 A CA 2.065 54.134 52.037 0.054 0.000 0.623 411 A CB -1.181 17.856 19.000 0.062 0.000 0.818 411 A HN 0.475 nan 8.150 nan 0.000 0.443 412 T N 0.247 114.830 114.554 0.048 0.000 2.777 412 T HA 0.010 4.360 4.350 0.000 0.000 0.266 412 T C 2.211 176.930 174.700 0.033 0.000 1.040 412 T CA 1.456 63.581 62.100 0.041 0.000 1.141 412 T CB -0.411 68.482 68.868 0.041 0.000 0.868 412 T HN 0.595 nan 8.240 nan 0.000 0.444 413 A N 1.301 124.139 122.820 0.030 0.000 1.902 413 A HA 0.020 4.340 4.320 0.000 0.000 0.217 413 A C 2.291 179.891 177.584 0.027 0.000 1.181 413 A CA 1.154 53.206 52.037 0.024 0.000 0.623 413 A CB -0.819 18.193 19.000 0.020 0.000 0.818 413 A HN 0.474 nan 8.150 nan 0.000 0.443 414 L N -1.151 120.092 121.223 0.033 0.000 2.046 414 L HA -0.161 4.179 4.340 0.000 0.000 0.208 414 L C 2.565 179.458 176.870 0.038 0.000 1.077 414 L CA 1.196 56.059 54.840 0.038 0.000 0.747 414 L CB -0.537 41.550 42.059 0.048 0.000 0.896 414 L HN 0.476 nan 8.230 nan 0.000 0.432 415 L N 0.208 121.453 121.223 0.037 0.000 2.056 415 L HA -0.102 4.238 4.340 0.000 0.000 0.207 415 L C 2.643 179.523 176.870 0.017 0.000 1.078 415 L CA 1.923 56.779 54.840 0.027 0.000 0.749 415 L CB -0.673 41.402 42.059 0.026 0.000 0.901 415 L HN 0.126 nan 8.230 nan 0.000 0.433 416 A N -0.777 122.054 122.820 0.018 0.000 1.908 416 A HA -0.288 4.032 4.320 0.000 0.000 0.218 416 A C 2.334 179.926 177.584 0.014 0.000 1.181 416 A CA 1.924 53.969 52.037 0.014 0.000 0.627 416 A CB -0.766 18.243 19.000 0.015 0.000 0.818 416 A HN 0.633 nan 8.150 nan 0.000 0.445 417 E N -0.668 119.542 120.200 0.017 0.000 2.077 417 E HA -0.190 4.160 4.350 0.000 0.000 0.193 417 E C 2.055 178.666 176.600 0.017 0.000 0.989 417 E CA 1.337 57.747 56.400 0.017 0.000 0.800 417 E CB -0.204 29.508 29.700 0.020 0.000 0.746 417 E HN 0.676 nan 8.360 nan 0.000 0.452 418 M N -0.002 119.609 119.600 0.018 0.000 2.108 418 M HA -0.191 4.289 4.480 0.000 0.000 0.261 418 M C 2.329 178.633 176.300 0.007 0.000 1.066 418 M CA 1.601 56.910 55.300 0.014 0.000 1.107 418 M CB -0.223 32.382 32.600 0.008 0.000 1.356 418 M HN 0.019 nan 8.290 nan 0.000 0.406 419 R N 0.082 120.583 120.500 0.003 0.000 2.193 419 R HA -0.044 4.296 4.340 0.000 0.000 0.229 419 R C 2.204 178.509 176.300 0.008 0.000 1.110 419 R CA 1.150 57.251 56.100 0.001 0.000 0.988 419 R CB -0.468 29.832 30.300 -0.001 0.000 0.871 419 R HN 0.385 nan 8.270 nan 0.000 0.458 420 A N 0.554 123.381 122.820 0.011 0.000 2.067 420 A HA -0.033 4.287 4.320 0.000 0.000 0.219 420 A C 0.776 178.370 177.584 0.018 0.000 1.158 420 A CA 0.919 52.964 52.037 0.013 0.000 0.661 420 A CB 0.078 19.085 19.000 0.012 0.000 0.801 420 A HN 0.109 nan 8.150 nan 0.000 0.452 421 T N 0.128 114.694 114.554 0.020 0.000 2.771 421 T HA 0.552 4.902 4.350 0.000 0.000 0.281 421 T C 0.437 175.159 174.700 0.038 0.000 0.982 421 T CA 0.050 62.167 62.100 0.029 0.000 0.978 421 T CB 1.531 70.415 68.868 0.027 0.000 0.930 421 T HN 0.366 nan 8.240 nan 0.000 0.447 422 G N 3.024 111.860 108.800 0.060 0.000 2.795 422 G HA2 0.676 4.636 3.960 0.000 0.000 0.267 422 G HA3 0.676 4.636 3.960 0.000 0.000 0.267 422 G C -2.646 172.304 174.900 0.083 0.000 1.362 422 G CA -1.635 43.504 45.100 0.065 0.000 1.048 422 G HN 0.437 nan 8.290 nan 0.000 0.547 423 P HA 0.257 nan 4.420 nan 0.000 0.267 423 P C 0.307 177.673 177.300 0.109 0.000 1.200 423 P CA 0.359 63.496 63.100 0.061 0.000 0.772 423 P CB 1.287 32.999 31.700 0.019 0.000 0.855 424 A N 1.780 124.668 122.820 0.113 0.000 2.044 424 A HA -0.023 4.297 4.320 0.000 0.000 0.213 424 A C 2.031 179.690 177.584 0.124 0.000 1.169 424 A CA 0.885 53.033 52.037 0.185 0.000 0.724 424 A CB -0.947 18.128 19.000 0.124 0.000 0.840 424 A HN 0.469 nan 8.150 nan 0.000 0.463 425 S N 0.682 116.407 115.700 0.041 0.000 2.419 425 S HA -0.179 4.291 4.470 0.000 0.000 0.235 425 S C 1.693 176.258 174.600 -0.057 0.000 1.019 425 S CA 1.575 59.778 58.200 0.006 0.000 0.982 425 S CB -0.678 62.526 63.200 0.006 0.000 0.789 425 S HN 0.795 nan 8.310 nan 0.000 0.490 426 I N -1.315 119.145 120.570 -0.182 0.000 3.444 426 I HA 0.049 4.219 4.170 0.000 0.000 0.287 426 I C 0.703 176.607 176.117 -0.354 0.000 1.302 426 I CA 0.962 62.093 61.300 -0.282 0.000 1.368 426 I CB -0.380 37.405 38.000 -0.359 0.000 1.048 426 I HN 0.165 nan 8.210 nan 0.000 0.487 427 H N 1.387 120.468 119.070 0.019 0.000 2.605 427 H HA 0.311 4.867 4.556 0.000 0.000 0.308 427 H C 0.637 175.977 175.328 0.021 0.000 1.080 427 H CA -0.218 55.841 56.048 0.019 0.000 1.119 427 H CB 0.037 29.811 29.762 0.019 0.000 1.479 427 H HN 0.295 nan 8.280 nan 0.000 0.537 428 S N 1.219 116.964 115.700 0.074 0.000 2.549 428 S HA 0.204 4.674 4.470 0.000 0.000 0.286 428 S C 0.276 174.915 174.600 0.064 0.000 1.314 428 S CA -0.229 58.009 58.200 0.064 0.000 1.062 428 S CB 0.019 63.242 63.200 0.039 0.000 0.865 428 S HN 0.303 nan 8.310 nan 0.000 0.498 429 I N 3.313 123.920 120.570 0.061 0.000 2.533 429 I HA 0.220 4.390 4.170 0.000 0.000 0.290 429 I C 0.032 176.176 176.117 0.045 0.000 1.056 429 I CA -0.630 60.701 61.300 0.052 0.000 1.057 429 I CB 2.140 40.171 38.000 0.052 0.000 1.240 429 I HN 0.567 nan 8.210 nan 0.000 0.423 430 S N 3.920 119.644 115.700 0.039 0.000 2.525 430 S HA 0.292 4.762 4.470 0.000 0.000 0.285 430 S C -0.194 174.428 174.600 0.037 0.000 1.283 430 S CA 0.414 58.636 58.200 0.037 0.000 1.072 430 S CB 0.285 63.505 63.200 0.032 0.000 0.867 430 S HN 0.776 nan 8.310 nan 0.000 0.492 431 T N 3.031 117.609 114.554 0.039 0.000 2.647 431 T HA 0.409 4.759 4.350 0.000 0.000 0.295 431 T C -0.344 174.380 174.700 0.040 0.000 1.126 431 T CA -0.102 62.021 62.100 0.038 0.000 1.040 431 T CB 0.737 69.629 68.868 0.040 0.000 1.472 431 T HN 0.898 nan 8.240 nan 0.000 0.500 432 N N 0.518 119.242 118.700 0.041 0.000 2.738 432 N HA -0.227 4.513 4.740 0.000 0.000 0.249 432 N C 0.294 175.827 175.510 0.038 0.000 1.047 432 N CA 0.799 53.875 53.050 0.044 0.000 0.707 432 N CB -1.179 37.340 38.487 0.053 0.000 0.937 432 N HN 1.541 nan 8.380 nan 0.000 0.545 433 A N -0.761 122.077 122.820 0.030 0.000 2.822 433 A HA 0.006 4.327 4.320 0.000 0.000 0.287 433 A C 1.322 178.922 177.584 0.028 0.000 1.479 433 A CA 2.056 54.108 52.037 0.025 0.000 0.779 433 A CB -2.279 16.734 19.000 0.022 0.000 1.022 433 A HN 2.243 nan 8.150 nan 0.000 0.532 434 A N -2.425 120.414 122.820 0.031 0.000 3.396 434 A HA -0.357 3.963 4.320 0.000 0.000 0.267 434 A C 1.400 179.006 177.584 0.037 0.000 1.139 434 A CA 1.982 54.038 52.037 0.031 0.000 1.115 434 A CB -2.540 16.475 19.000 0.026 0.000 1.133 434 A HN 2.214 nan 8.150 nan 0.000 0.920 435 N N 0.032 118.757 118.700 0.041 0.000 2.142 435 N HA -0.101 4.639 4.740 0.000 0.000 0.186 435 N C 0.997 176.541 175.510 0.056 0.000 1.023 435 N CA 1.907 54.986 53.050 0.048 0.000 0.852 435 N CB -0.168 38.353 38.487 0.055 0.000 0.998 435 N HN 0.755 nan 8.380 nan 0.000 0.424 436 Q N 0.499 120.333 119.800 0.056 0.000 3.091 436 Q HA 0.063 4.404 4.340 0.000 0.000 0.301 436 Q C -0.424 175.610 176.000 0.056 0.000 1.337 436 Q CA -0.285 55.556 55.803 0.064 0.000 1.083 436 Q CB 0.529 29.302 28.738 0.059 0.000 1.477 436 Q HN 0.510 nan 8.270 nan 0.000 0.537 437 D N -0.509 119.921 120.400 0.051 0.000 2.350 437 D HA -0.080 4.560 4.640 0.000 0.000 0.216 437 D C 0.651 176.976 176.300 0.042 0.000 0.968 437 D CA 0.424 54.449 54.000 0.042 0.000 0.894 437 D CB 0.073 40.893 40.800 0.034 0.000 0.909 437 D HN 0.198 nan 8.370 nan 0.000 0.520 438 V N -1.878 118.066 119.914 0.050 0.000 2.733 438 V HA 0.740 4.860 4.120 0.000 0.000 0.306 438 V C -0.479 175.653 176.094 0.064 0.000 1.084 438 V CA -1.221 61.108 62.300 0.048 0.000 0.905 438 V CB 1.896 33.742 31.823 0.038 0.000 1.010 438 V HN 0.101 nan 8.190 nan 0.000 0.424 439 V N 1.133 121.083 119.914 0.061 0.000 2.876 439 V HA 0.772 4.892 4.120 0.000 0.000 0.312 439 V C 1.071 177.203 176.094 0.064 0.000 1.085 439 V CA 0.288 62.631 62.300 0.073 0.000 0.945 439 V CB 1.454 33.317 31.823 0.067 0.000 1.017 439 V HN 1.330 nan 8.190 nan 0.000 0.428 440 S N 2.899 118.642 115.700 0.070 0.000 2.414 440 S HA 0.070 4.540 4.470 0.000 0.000 0.227 440 S C 1.169 175.802 174.600 0.055 0.000 1.022 440 S CA 1.156 59.390 58.200 0.057 0.000 0.958 440 S CB -0.874 62.364 63.200 0.062 0.000 0.797 440 S HN 1.410 nan 8.310 nan 0.000 0.493 441 L N 0.302 121.561 121.223 0.060 0.000 4.040 441 L HA -0.199 4.141 4.340 0.000 0.000 0.410 441 L C 1.525 178.429 176.870 0.056 0.000 1.187 441 L CA 0.013 54.889 54.840 0.061 0.000 0.956 441 L CB -2.309 39.795 42.059 0.075 0.000 2.022 441 L HN 0.528 nan 8.230 nan 0.000 0.897 442 G N -0.284 108.547 108.800 0.051 0.000 2.422 442 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 442 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 442 G C 1.283 176.210 174.900 0.044 0.000 1.146 442 G CA 1.423 46.551 45.100 0.046 0.000 0.769 442 G HN 0.469 nan 8.290 nan 0.000 0.547 443 T N 1.385 115.964 114.554 0.041 0.000 2.746 443 T HA -0.054 4.296 4.350 0.000 0.000 0.267 443 T C 2.377 177.101 174.700 0.039 0.000 1.039 443 T CA 1.060 63.181 62.100 0.035 0.000 1.142 443 T CB -0.152 68.733 68.868 0.028 0.000 0.866 443 T HN 0.274 nan 8.240 nan 0.000 0.444 444 I N 1.595 122.190 120.570 0.042 0.000 2.226 444 I HA -0.153 4.017 4.170 0.000 0.000 0.245 444 I C 3.020 179.168 176.117 0.052 0.000 1.100 444 I CA 1.076 62.402 61.300 0.044 0.000 1.374 444 I CB -0.552 37.477 38.000 0.048 0.000 1.057 444 I HN 0.210 nan 8.210 nan 0.000 0.413 445 A N 0.819 123.674 122.820 0.058 0.000 1.908 445 A HA -0.206 4.114 4.320 0.000 0.000 0.218 445 A C 2.532 180.155 177.584 0.064 0.000 1.181 445 A CA 2.054 54.129 52.037 0.063 0.000 0.627 445 A CB -0.875 18.162 19.000 0.062 0.000 0.818 445 A HN 0.442 nan 8.150 nan 0.000 0.445 446 A N -0.557 122.301 122.820 0.063 0.000 1.930 446 A HA -0.113 4.207 4.320 0.000 0.000 0.217 446 A C 2.242 179.865 177.584 0.065 0.000 1.175 446 A CA 1.426 53.507 52.037 0.073 0.000 0.627 446 A CB -0.404 18.638 19.000 0.070 0.000 0.815 446 A HN 0.547 nan 8.150 nan 0.000 0.443 447 R N -0.536 119.996 120.500 0.053 0.000 2.075 447 R HA 0.030 4.370 4.340 0.000 0.000 0.232 447 R C 1.973 178.302 176.300 0.049 0.000 1.126 447 R CA 1.278 57.407 56.100 0.048 0.000 0.963 447 R CB -0.434 29.887 30.300 0.037 0.000 0.858 447 R HN 0.494 nan 8.270 nan 0.000 0.435 448 L N -0.251 121.001 121.223 0.049 0.000 2.093 448 L HA -0.221 4.119 4.340 0.000 0.000 0.208 448 L C 2.735 179.635 176.870 0.050 0.000 1.085 448 L CA 0.760 55.628 54.840 0.047 0.000 0.755 448 L CB -0.497 41.592 42.059 0.049 0.000 0.904 448 L HN 0.380 nan 8.230 nan 0.000 0.435 449 C N 0.274 119.607 119.300 0.054 0.000 2.440 449 C HA -0.140 4.320 4.460 0.000 0.000 0.278 449 C C 3.092 178.121 174.990 0.065 0.000 1.295 449 C CA 0.777 59.826 59.018 0.052 0.000 1.738 449 C CB -0.522 27.250 27.740 0.052 0.000 1.987 449 C HN 0.493 nan 8.230 nan 0.000 0.492 450 R N 1.326 121.867 120.500 0.069 0.000 2.091 450 R HA -0.081 4.259 4.340 0.000 0.000 0.238 450 R C 2.102 178.449 176.300 0.078 0.000 1.136 450 R CA 2.017 58.164 56.100 0.079 0.000 0.959 450 R CB -0.834 29.510 30.300 0.073 0.000 0.856 450 R HN 0.530 nan 8.270 nan 0.000 0.437 451 E N 0.728 120.967 120.200 0.065 0.000 2.077 451 E HA -0.177 4.173 4.350 0.000 0.000 0.193 451 E C 1.861 178.504 176.600 0.072 0.000 0.989 451 E CA 1.377 57.813 56.400 0.061 0.000 0.800 451 E CB -0.116 29.612 29.700 0.047 0.000 0.746 451 E HN 0.433 nan 8.360 nan 0.000 0.452 452 K N 0.280 120.723 120.400 0.071 0.000 2.097 452 K HA -0.021 4.299 4.320 0.000 0.000 0.205 452 K C 2.297 178.983 176.600 0.144 0.000 1.050 452 K CA 0.727 57.061 56.287 0.078 0.000 0.938 452 K CB -0.109 32.416 32.500 0.041 0.000 0.718 452 K HN 0.085 nan 8.250 nan 0.000 0.442 453 I N 1.434 122.102 120.570 0.163 0.000 2.286 453 I HA -0.276 3.894 4.170 0.000 0.000 0.248 453 I C 1.569 177.807 176.117 0.201 0.000 1.115 453 I CA 1.157 62.609 61.300 0.253 0.000 1.392 453 I CB -0.193 37.924 38.000 0.196 0.000 1.065 453 I HN 0.138 nan 8.210 nan 0.000 0.418 454 D N 0.505 120.982 120.400 0.128 0.000 2.144 454 D HA -0.121 4.519 4.640 0.000 0.000 0.200 454 D C 2.334 178.688 176.300 0.090 0.000 0.978 454 D CA 0.882 54.934 54.000 0.086 0.000 0.833 454 D CB -0.176 40.664 40.800 0.066 0.000 0.961 454 D HN 0.175 nan 8.370 nan 0.000 0.470 455 R N -0.077 120.492 120.500 0.115 0.000 2.075 455 R HA -0.109 4.231 4.340 0.000 0.000 0.232 455 R C 2.131 178.540 176.300 0.182 0.000 1.126 455 R CA 0.455 56.623 56.100 0.113 0.000 0.963 455 R CB -1.056 29.301 30.300 0.095 0.000 0.858 455 R HN 0.338 nan 8.270 nan 0.000 0.435 456 W N 1.971 123.273 121.300 0.002 0.000 2.338 456 W HA -0.115 4.545 4.660 0.000 0.000 0.304 456 W C 2.110 178.621 176.519 -0.013 0.000 1.212 456 W CA 1.463 58.810 57.345 0.003 0.000 1.264 456 W CB -0.655 28.814 29.460 0.014 0.000 1.142 456 W HN 0.143 nan 8.180 nan 0.000 0.512 457 A N 0.207 123.039 122.820 0.020 0.000 1.908 457 A HA -0.241 4.079 4.320 0.000 0.000 0.218 457 A C 1.872 179.376 177.584 -0.132 0.000 1.181 457 A CA 2.043 53.975 52.037 -0.175 0.000 0.627 457 A CB -0.818 18.102 19.000 -0.133 0.000 0.818 457 A HN 0.462 nan 8.150 nan 0.000 0.445 458 E N -0.380 119.798 120.200 -0.037 0.000 2.072 458 E HA -0.110 4.240 4.350 0.000 0.000 0.191 458 E C 1.849 178.437 176.600 -0.021 0.000 0.985 458 E CA 1.160 57.539 56.400 -0.035 0.000 0.801 458 E CB -0.262 29.441 29.700 0.004 0.000 0.750 458 E HN 0.701 nan 8.360 nan 0.000 0.452 459 I N 0.833 121.427 120.570 0.040 0.000 2.226 459 I HA -0.273 3.897 4.170 0.000 0.000 0.245 459 I C 2.225 178.358 176.117 0.027 0.000 1.100 459 I CA 0.967 62.308 61.300 0.068 0.000 1.374 459 I CB -0.143 37.951 38.000 0.156 0.000 1.057 459 I HN 0.113 nan 8.210 nan 0.000 0.413 460 L N 0.387 121.598 121.223 -0.021 0.000 2.083 460 L HA -0.193 4.147 4.340 0.000 0.000 0.209 460 L C 2.826 179.596 176.870 -0.168 0.000 1.083 460 L CA 1.227 56.010 54.840 -0.096 0.000 0.752 460 L CB -0.660 41.248 42.059 -0.252 0.000 0.899 460 L HN 0.242 nan 8.230 nan 0.000 0.433 461 A N 0.299 122.988 122.820 -0.217 0.000 1.902 461 A HA -0.190 4.130 4.320 0.000 0.000 0.217 461 A C 2.206 179.678 177.584 -0.187 0.000 1.181 461 A CA 1.542 53.419 52.037 -0.267 0.000 0.623 461 A CB -0.634 18.215 19.000 -0.251 0.000 0.818 461 A HN 0.356 nan 8.150 nan 0.000 0.443 462 I N -0.878 119.631 120.570 -0.102 0.000 2.226 462 I HA -0.225 3.946 4.170 0.000 0.000 0.245 462 I C 2.420 178.481 176.117 -0.093 0.000 1.100 462 I CA 1.198 62.466 61.300 -0.053 0.000 1.374 462 I CB -0.262 37.742 38.000 0.007 0.000 1.057 462 I HN 0.401 nan 8.210 nan 0.000 0.413 463 L N 1.213 122.394 121.223 -0.070 0.000 2.046 463 L HA -0.145 4.195 4.340 0.000 0.000 0.208 463 L C 2.534 179.352 176.870 -0.087 0.000 1.077 463 L CA 2.117 56.919 54.840 -0.063 0.000 0.747 463 L CB -0.835 41.226 42.059 0.003 0.000 0.896 463 L HN 0.184 nan 8.230 nan 0.000 0.432 464 A N -0.453 122.314 122.820 -0.088 0.000 1.877 464 A HA -0.169 4.151 4.320 0.000 0.000 0.216 464 A C 2.268 179.789 177.584 -0.106 0.000 1.186 464 A CA 2.017 54.016 52.037 -0.063 0.000 0.620 464 A CB -0.913 18.014 19.000 -0.121 0.000 0.822 464 A HN 0.504 nan 8.150 nan 0.000 0.443 465 L N -0.926 120.198 121.223 -0.164 0.000 2.083 465 L HA -0.238 4.102 4.340 0.000 0.000 0.209 465 L C 2.736 179.425 176.870 -0.303 0.000 1.083 465 L CA 1.183 55.946 54.840 -0.129 0.000 0.752 465 L CB -0.708 41.344 42.059 -0.012 0.000 0.899 465 L HN 0.495 nan 8.230 nan 0.000 0.433 466 C N -0.174 118.809 119.300 -0.528 0.000 2.432 466 C HA -0.139 4.322 4.460 0.000 0.000 0.277 466 C C 2.759 177.536 174.990 -0.355 0.000 1.249 466 C CA 0.486 59.035 59.018 -0.781 0.000 1.725 466 C CB -0.723 26.683 27.740 -0.557 0.000 2.028 466 C HN 0.426 nan 8.230 nan 0.000 0.477 467 L N 0.924 122.037 121.223 -0.183 0.000 2.083 467 L HA -0.146 4.194 4.340 0.000 0.000 0.209 467 L C 2.864 179.712 176.870 -0.036 0.000 1.083 467 L CA 1.514 56.310 54.840 -0.074 0.000 0.752 467 L CB -0.724 41.328 42.059 -0.013 0.000 0.899 467 L HN 0.346 nan 8.230 nan 0.000 0.433 468 A N -0.304 122.501 122.820 -0.024 0.000 1.902 468 A HA -0.299 4.021 4.320 0.000 0.000 0.217 468 A C 2.213 179.817 177.584 0.034 0.000 1.181 468 A CA 2.018 54.071 52.037 0.028 0.000 0.623 468 A CB -0.532 18.503 19.000 0.058 0.000 0.818 468 A HN 0.431 nan 8.150 nan 0.000 0.443 469 Q N -0.363 119.450 119.800 0.022 0.000 2.046 469 Q HA -0.006 4.334 4.340 0.000 0.000 0.200 469 Q C 2.076 178.094 176.000 0.030 0.000 0.975 469 Q CA 2.087 57.935 55.803 0.075 0.000 0.836 469 Q CB -0.512 28.337 28.738 0.184 0.000 0.896 469 Q HN 0.543 nan 8.270 nan 0.000 0.428 470 A N 0.466 123.272 122.820 -0.023 0.000 1.902 470 A HA -0.095 4.225 4.320 0.000 0.000 0.217 470 A C 2.315 179.898 177.584 -0.001 0.000 1.181 470 A CA 1.812 53.837 52.037 -0.019 0.000 0.623 470 A CB -1.246 17.728 19.000 -0.044 0.000 0.818 470 A HN 0.557 nan 8.150 nan 0.000 0.443 471 A N -0.109 122.715 122.820 0.006 0.000 1.908 471 A HA -0.203 4.117 4.320 0.000 0.000 0.218 471 A C 1.919 179.515 177.584 0.019 0.000 1.181 471 A CA 1.755 53.802 52.037 0.016 0.000 0.627 471 A CB -0.521 18.494 19.000 0.025 0.000 0.818 471 A HN 0.661 nan 8.150 nan 0.000 0.445 472 E N -0.360 119.855 120.200 0.026 0.000 2.107 472 E HA -0.050 4.300 4.350 0.000 0.000 0.191 472 E C 1.917 178.528 176.600 0.019 0.000 0.982 472 E CA 0.813 57.229 56.400 0.027 0.000 0.809 472 E CB -0.225 29.499 29.700 0.039 0.000 0.756 472 E HN 0.613 nan 8.360 nan 0.000 0.459 473 L N 0.475 121.707 121.223 0.015 0.000 2.093 473 L HA -0.147 4.193 4.340 0.000 0.000 0.208 473 L C 2.632 179.501 176.870 -0.002 0.000 1.085 473 L CA 0.947 55.788 54.840 0.002 0.000 0.755 473 L CB -0.143 41.912 42.059 -0.006 0.000 0.904 473 L HN 0.012 nan 8.230 nan 0.000 0.435 474 R N -0.334 120.166 120.500 0.000 0.000 2.075 474 R HA -0.047 4.293 4.340 0.000 0.000 0.226 474 R C 1.810 178.112 176.300 0.004 0.000 1.114 474 R CA 1.643 57.742 56.100 -0.000 0.000 0.972 474 R CB -0.393 29.907 30.300 -0.000 0.000 0.869 474 R HN 0.352 nan 8.270 nan 0.000 0.437 475 C N 0.100 119.405 119.300 0.008 0.000 3.038 475 C HA 0.647 5.107 4.460 0.000 0.000 0.279 475 C C 0.620 175.617 174.990 0.011 0.000 1.276 475 C CA -0.296 58.728 59.018 0.010 0.000 1.697 475 C CB -0.743 27.004 27.740 0.012 0.000 2.032 475 C HN 0.737 nan 8.230 nan 0.000 0.636 476 G N 1.655 110.462 108.800 0.012 0.000 2.758 476 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 476 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 476 G C 0.670 175.581 174.900 0.018 0.000 1.389 476 G CA 0.033 45.141 45.100 0.013 0.000 0.845 476 G HN 0.760 nan 8.290 nan 0.000 0.572 477 S N -0.583 115.128 115.700 0.019 0.000 2.440 477 S HA 0.041 4.511 4.470 0.000 0.000 0.238 477 S C 2.339 176.952 174.600 0.022 0.000 1.010 477 S CA 1.898 60.112 58.200 0.023 0.000 0.972 477 S CB -0.126 63.087 63.200 0.022 0.000 0.774 477 S HN 2.149 nan 8.310 nan 0.000 0.501 478 G N 0.774 109.585 108.800 0.018 0.000 2.920 478 G HA2 0.372 4.332 3.960 0.000 0.000 0.208 478 G HA3 0.372 4.332 3.960 0.000 0.000 0.208 478 G C 0.519 175.429 174.900 0.017 0.000 1.159 478 G CA -0.161 44.949 45.100 0.017 0.000 0.784 478 G HN 0.589 nan 8.290 nan 0.000 0.535 479 L N 1.049 122.283 121.223 0.019 0.000 3.660 479 L HA -0.145 4.195 4.340 0.000 0.000 0.440 479 L C -0.903 175.976 176.870 0.016 0.000 1.262 479 L CA -0.106 54.745 54.840 0.019 0.000 0.837 479 L CB -1.716 40.356 42.059 0.023 0.000 1.689 479 L HN 0.218 nan 8.230 nan 0.000 0.890 480 D N 1.451 121.859 120.400 0.013 0.000 2.434 480 D HA 0.292 4.932 4.640 0.000 0.000 0.252 480 D C 1.374 177.680 176.300 0.010 0.000 1.185 480 D CA 1.336 55.342 54.000 0.011 0.000 0.886 480 D CB 1.308 42.114 40.800 0.009 0.000 1.148 480 D HN 0.547 nan 8.370 nan 0.000 0.483 481 G N 1.434 110.239 108.800 0.009 0.000 2.217 481 G HA2 -0.279 3.681 3.960 0.000 0.000 0.246 481 G HA3 -0.279 3.681 3.960 0.000 0.000 0.246 481 G C 0.452 175.358 174.900 0.010 0.000 0.990 481 G CA 0.029 45.133 45.100 0.008 0.000 0.627 481 G HN 0.522 nan 8.290 nan 0.000 0.522 482 V N 2.772 122.694 119.914 0.013 0.000 2.715 482 V HA 0.481 4.601 4.120 0.000 0.000 0.299 482 V C 1.513 177.617 176.094 0.017 0.000 1.054 482 V CA 0.211 62.522 62.300 0.018 0.000 1.077 482 V CB 1.354 33.190 31.823 0.021 0.000 0.972 482 V HN 1.073 nan 8.190 nan 0.000 0.484 483 S N 5.124 120.836 115.700 0.020 0.000 2.569 483 S HA 0.114 4.584 4.470 0.000 0.000 0.274 483 S C -1.725 172.884 174.600 0.015 0.000 1.353 483 S CA -0.604 57.607 58.200 0.019 0.000 1.023 483 S CB 0.367 63.583 63.200 0.026 0.000 0.876 483 S HN 0.583 nan 8.310 nan 0.000 0.540 484 P HA -0.032 nan 4.420 nan 0.000 0.216 484 P C 1.628 178.931 177.300 0.004 0.000 1.153 484 P CA 1.884 64.989 63.100 0.007 0.000 0.848 484 P CB -0.247 31.456 31.700 0.004 0.000 0.787 485 A N -0.219 122.601 122.820 0.000 0.000 1.898 485 A HA -0.064 4.256 4.320 0.000 0.000 0.216 485 A C 2.487 180.067 177.584 -0.006 0.000 1.181 485 A CA 2.044 54.074 52.037 -0.012 0.000 0.620 485 A CB -1.883 17.105 19.000 -0.020 0.000 0.819 485 A HN 0.267 nan 8.150 nan 0.000 0.442 486 G N -0.334 108.472 108.800 0.009 0.000 2.418 486 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 486 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 486 G C 1.684 176.600 174.900 0.026 0.000 1.158 486 G CA 1.116 46.228 45.100 0.021 0.000 0.771 486 G HN 0.566 nan 8.290 nan 0.000 0.545 487 K N 0.399 120.812 120.400 0.022 0.000 2.026 487 K HA -0.056 4.264 4.320 0.000 0.000 0.208 487 K C 2.580 179.197 176.600 0.028 0.000 1.048 487 K CA 1.287 57.590 56.287 0.025 0.000 0.929 487 K CB -0.143 32.369 32.500 0.020 0.000 0.713 487 K HN 0.199 nan 8.250 nan 0.000 0.439 488 K N 0.940 121.352 120.400 0.020 0.000 2.097 488 K HA -0.135 4.185 4.320 0.000 0.000 0.206 488 K C 2.186 178.806 176.600 0.034 0.000 1.049 488 K CA 0.993 57.293 56.287 0.021 0.000 0.933 488 K CB -0.157 32.347 32.500 0.006 0.000 0.717 488 K HN 0.134 nan 8.250 nan 0.000 0.442 489 L N 0.850 122.091 121.223 0.030 0.000 2.005 489 L HA -0.184 4.156 4.340 0.000 0.000 0.207 489 L C 2.121 179.055 176.870 0.107 0.000 1.072 489 L CA 1.128 56.004 54.840 0.059 0.000 0.744 489 L CB -0.126 41.950 42.059 0.029 0.000 0.895 489 L HN -0.058 nan 8.230 nan 0.000 0.433 490 V N -0.109 119.856 119.914 0.084 0.000 2.343 490 V HA -0.312 3.808 4.120 0.000 0.000 0.247 490 V C 2.458 178.605 176.094 0.088 0.000 1.051 490 V CA 1.983 64.337 62.300 0.089 0.000 1.036 490 V CB -0.673 31.190 31.823 0.066 0.000 0.654 490 V HN 0.547 nan 8.190 nan 0.000 0.451 491 Q N -0.111 119.730 119.800 0.069 0.000 2.084 491 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 491 Q C 2.440 178.480 176.000 0.068 0.000 0.978 491 Q CA 1.811 57.650 55.803 0.059 0.000 0.844 491 Q CB -0.429 28.334 28.738 0.042 0.000 0.898 491 Q HN 0.679 nan 8.270 nan 0.000 0.426 492 A N 0.796 123.664 122.820 0.081 0.000 1.902 492 A HA -0.151 4.169 4.320 0.000 0.000 0.217 492 A C 2.067 179.721 177.584 0.116 0.000 1.181 492 A CA 1.041 53.132 52.037 0.089 0.000 0.623 492 A CB -0.665 18.402 19.000 0.112 0.000 0.818 492 A HN 0.281 nan 8.150 nan 0.000 0.443 493 L N -1.040 120.285 121.223 0.169 0.000 2.017 493 L HA -0.170 4.170 4.340 0.000 0.000 0.208 493 L C 2.685 179.701 176.870 0.245 0.000 1.073 493 L CA 1.064 56.054 54.840 0.251 0.000 0.745 493 L CB -0.462 41.726 42.059 0.214 0.000 0.894 493 L HN 0.262 nan 8.230 nan 0.000 0.432 494 R N 0.411 121.002 120.500 0.152 0.000 2.241 494 R HA -0.145 4.195 4.340 0.000 0.000 0.224 494 R C 1.861 178.188 176.300 0.046 0.000 1.101 494 R CA 0.817 56.983 56.100 0.109 0.000 0.995 494 R CB -0.440 29.909 30.300 0.082 0.000 0.870 494 R HN 0.550 nan 8.270 nan 0.000 0.463 495 E N -0.100 120.114 120.200 0.023 0.000 2.204 495 E HA -0.135 4.215 4.350 0.000 0.000 0.194 495 E C 1.379 177.911 176.600 -0.114 0.000 0.989 495 E CA 0.741 57.122 56.400 -0.032 0.000 0.824 495 E CB 0.263 29.948 29.700 -0.026 0.000 0.756 495 E HN 0.205 nan 8.360 nan 0.000 0.477 496 Q N -1.267 118.413 119.800 -0.200 0.000 2.288 496 Q HA 0.149 4.489 4.340 0.000 0.000 0.256 496 Q C -0.461 175.083 176.000 -0.760 0.000 0.835 496 Q CA 0.289 55.778 55.803 -0.522 0.000 0.958 496 Q CB 0.942 29.216 28.738 -0.774 0.000 1.125 496 Q HN 0.107 nan 8.270 nan 0.000 0.513 497 F N 2.015 121.960 119.950 -0.008 0.000 2.434 497 F HA 0.436 4.963 4.527 0.000 0.000 0.355 497 F C -2.152 173.663 175.800 0.026 0.000 1.115 497 F CA -2.557 55.449 58.000 0.010 0.000 1.010 497 F CB 1.419 40.429 39.000 0.017 0.000 1.234 497 F HN -0.206 nan 8.300 nan 0.000 0.439 498 P HA 0.132 nan 4.420 nan 0.000 0.272 498 P C -2.365 175.010 177.300 0.124 0.000 1.230 498 P CA -0.944 62.213 63.100 0.095 0.000 0.788 498 P CB 0.013 31.743 31.700 0.051 0.000 0.949 499 P HA 0.047 nan 4.420 nan 0.000 0.270 499 P C -0.668 176.687 177.300 0.092 0.000 1.223 499 P CA -0.109 63.059 63.100 0.113 0.000 0.785 499 P CB 0.472 32.223 31.700 0.085 0.000 0.923 500 L N 2.262 123.547 121.223 0.104 0.000 2.328 500 L HA 0.142 4.482 4.340 0.000 0.000 0.280 500 L C 1.288 178.174 176.870 0.026 0.000 1.111 500 L CA 0.476 55.326 54.840 0.017 0.000 0.909 500 L CB -0.654 41.337 42.059 -0.113 0.000 1.277 500 L HN 0.318 nan 8.230 nan 0.000 0.433 501 E N 1.195 121.408 120.200 0.022 0.000 2.230 501 E HA 0.028 4.378 4.350 0.000 0.000 0.192 501 E C 0.188 176.802 176.600 0.025 0.000 0.987 501 E CA 0.491 56.907 56.400 0.027 0.000 0.841 501 E CB 0.429 30.144 29.700 0.025 0.000 0.783 501 E HN 0.586 nan 8.360 nan 0.000 0.481 502 T N 0.238 114.796 114.554 0.006 0.000 2.889 502 T HA 0.107 4.457 4.350 0.000 0.000 0.315 502 T C -1.752 172.929 174.700 -0.031 0.000 1.291 502 T CA -1.001 61.101 62.100 0.003 0.000 1.028 502 T CB 1.360 70.230 68.868 0.004 0.000 1.235 502 T HN -0.220 nan 8.240 nan 0.000 0.491 503 D N 2.888 123.265 120.400 -0.039 0.000 2.571 503 D HA 0.283 4.923 4.640 0.000 0.000 0.231 503 D C 0.617 176.876 176.300 -0.068 0.000 1.133 503 D CA 0.751 54.706 54.000 -0.075 0.000 0.862 503 D CB 0.344 41.105 40.800 -0.065 0.000 1.179 503 D HN 0.694 nan 8.370 nan 0.000 0.474 504 R N 0.421 120.867 120.500 -0.090 0.000 2.710 504 R HA 0.611 4.951 4.340 0.000 0.000 0.270 504 R C -3.152 173.109 176.300 -0.065 0.000 1.021 504 R CA -1.691 54.372 56.100 -0.062 0.000 0.889 504 R CB 0.367 30.640 30.300 -0.044 0.000 1.243 504 R HN 0.003 nan 8.270 nan 0.000 0.464 505 P HA 0.124 nan 4.420 nan 0.000 0.267 505 P C -0.273 177.015 177.300 -0.019 0.000 1.205 505 P CA -0.231 62.852 63.100 -0.029 0.000 0.765 505 P CB 0.590 32.281 31.700 -0.015 0.000 0.828 506 L N 1.653 122.865 121.223 -0.018 0.000 2.731 506 L HA 0.170 4.510 4.340 0.000 0.000 0.240 506 L C 2.307 179.192 176.870 0.025 0.000 1.120 506 L CA 0.397 55.241 54.840 0.007 0.000 0.913 506 L CB -0.321 41.737 42.059 -0.001 0.000 1.213 506 L HN 0.537 nan 8.230 nan 0.000 0.515 507 G N 0.308 109.118 108.800 0.016 0.000 2.529 507 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 507 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 507 G C 1.395 176.312 174.900 0.027 0.000 1.177 507 G CA 0.768 45.879 45.100 0.018 0.000 0.773 507 G HN 0.390 nan 8.290 nan 0.000 0.573 508 Q N -0.135 119.687 119.800 0.036 0.000 2.119 508 Q HA -0.062 4.278 4.340 0.000 0.000 0.201 508 Q C 2.488 178.542 176.000 0.090 0.000 0.972 508 Q CA 1.236 57.069 55.803 0.050 0.000 0.847 508 Q CB -0.098 28.665 28.738 0.043 0.000 0.903 508 Q HN 0.618 nan 8.270 nan 0.000 0.433 509 E N 0.565 120.836 120.200 0.119 0.000 2.107 509 E HA -0.128 4.222 4.350 0.000 0.000 0.191 509 E C 1.930 178.555 176.600 0.041 0.000 0.982 509 E CA 0.656 57.190 56.400 0.223 0.000 0.809 509 E CB 0.027 29.881 29.700 0.256 0.000 0.756 509 E HN 0.335 nan 8.360 nan 0.000 0.459 510 I N 1.006 121.571 120.570 -0.009 0.000 2.179 510 I HA -0.264 3.906 4.170 0.000 0.000 0.242 510 I C 2.513 178.599 176.117 -0.051 0.000 1.088 510 I CA 0.974 62.235 61.300 -0.065 0.000 1.357 510 I CB -0.252 37.734 38.000 -0.023 0.000 1.051 510 I HN 0.088 nan 8.210 nan 0.000 0.409 511 A N 0.667 123.486 122.820 -0.002 0.000 1.902 511 A HA -0.141 4.179 4.320 0.000 0.000 0.217 511 A C 2.535 180.133 177.584 0.023 0.000 1.181 511 A CA 1.793 53.834 52.037 0.007 0.000 0.623 511 A CB -0.839 18.173 19.000 0.020 0.000 0.818 511 A HN 0.425 nan 8.150 nan 0.000 0.443 512 A N -0.548 122.316 122.820 0.073 0.000 1.877 512 A HA -0.039 4.282 4.320 0.000 0.000 0.216 512 A C 2.134 179.801 177.584 0.138 0.000 1.186 512 A CA 1.770 53.885 52.037 0.130 0.000 0.620 512 A CB -0.620 18.514 19.000 0.224 0.000 0.822 512 A HN 0.661 nan 8.150 nan 0.000 0.443 513 L N -0.266 120.988 121.223 0.051 0.000 2.056 513 L HA -0.003 4.337 4.340 0.000 0.000 0.207 513 L C 2.666 179.449 176.870 -0.145 0.000 1.078 513 L CA 2.057 56.829 54.840 -0.114 0.000 0.749 513 L CB -0.867 40.868 42.059 -0.540 0.000 0.901 513 L HN 0.346 nan 8.230 nan 0.000 0.433 514 A N -1.540 121.194 122.820 -0.144 0.000 1.908 514 A HA -0.236 4.084 4.320 0.000 0.000 0.218 514 A C 2.271 179.791 177.584 -0.106 0.000 1.181 514 A CA 2.365 54.308 52.037 -0.157 0.000 0.627 514 A CB -1.246 17.694 19.000 -0.100 0.000 0.818 514 A HN 0.504 nan 8.150 nan 0.000 0.445 515 T N -1.491 113.045 114.554 -0.030 0.000 2.759 515 T HA -0.171 4.179 4.350 0.000 0.000 0.269 515 T C 1.848 176.551 174.700 0.005 0.000 1.042 515 T CA 1.941 64.043 62.100 0.003 0.000 1.140 515 T CB -0.372 68.518 68.868 0.037 0.000 0.864 515 T HN 0.816 nan 8.240 nan 0.000 0.455 516 H N 0.977 120.001 119.070 -0.076 0.000 2.333 516 H HA 0.148 4.704 4.556 0.000 0.000 0.302 516 H C 1.996 177.242 175.328 -0.136 0.000 1.075 516 H CA 1.120 57.127 56.048 -0.068 0.000 1.348 516 H CB -0.451 29.296 29.762 -0.025 0.000 1.393 516 H HN 0.233 nan 8.280 nan 0.000 0.509 517 L N 0.048 121.068 121.223 -0.337 0.000 2.127 517 L HA -0.167 4.173 4.340 0.000 0.000 0.211 517 L C 2.181 178.880 176.870 -0.286 0.000 1.089 517 L CA 0.930 55.419 54.840 -0.585 0.000 0.757 517 L CB -0.449 41.067 42.059 -0.905 0.000 0.899 517 L HN 0.340 nan 8.230 nan 0.000 0.434 518 L N -0.806 120.293 121.223 -0.206 0.000 2.376 518 L HA -0.130 4.210 4.340 0.000 0.000 0.219 518 L C 2.155 178.978 176.870 -0.078 0.000 1.133 518 L CA 0.861 55.647 54.840 -0.090 0.000 0.816 518 L CB -0.145 41.895 42.059 -0.032 0.000 0.933 518 L HN 0.386 nan 8.230 nan 0.000 0.449 519 Q N -1.519 118.143 119.800 -0.230 0.000 2.280 519 Q HA 0.204 4.544 4.340 0.000 0.000 0.244 519 Q C -0.047 175.516 176.000 -0.727 0.000 0.847 519 Q CA 0.065 55.694 55.803 -0.291 0.000 0.945 519 Q CB 1.080 29.758 28.738 -0.100 0.000 1.115 519 Q HN 0.433 nan 8.270 nan 0.000 0.513 520 Q N 0.047 119.400 119.800 -0.746 0.000 2.379 520 Q HA 0.477 4.817 4.340 0.000 0.000 0.278 520 Q C -1.230 174.688 176.000 -0.135 0.000 1.068 520 Q CA -0.424 55.027 55.803 -0.586 0.000 0.816 520 Q CB 2.664 31.160 28.738 -0.404 0.000 1.387 520 Q HN -0.069 nan 8.270 nan 0.000 0.413 521 S N 2.058 117.755 115.700 -0.004 0.000 2.687 521 S HA 0.547 5.017 4.470 0.000 0.000 0.283 521 S C -2.375 172.042 174.600 -0.305 0.000 1.170 521 S CA -1.130 57.015 58.200 -0.093 0.000 1.008 521 S CB 0.863 64.042 63.200 -0.036 0.000 1.026 521 S HN 0.427 nan 8.310 nan 0.000 0.541 522 P HA 0.286 nan 4.420 nan 0.000 0.274 522 P C -0.731 176.371 177.300 -0.330 0.000 1.470 522 P CA -0.195 62.508 63.100 -0.662 0.000 1.001 522 P CB 0.126 31.104 31.700 -1.203 0.000 1.332 523 V N 0.000 119.817 119.914 -0.161 0.000 2.409 523 V HA 0.000 4.120 4.120 0.000 0.000 0.244 523 V CA 0.000 62.240 62.300 -0.100 0.000 1.235 523 V CB 0.000 31.780 31.823 -0.072 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556