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 2o7e_1_D 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 0.000 176.611 176.600 0.019 0.000 0.988 8 K CA 0.000 56.300 56.287 0.021 0.000 0.838 8 K CB 0.000 32.516 32.500 0.027 0.000 1.064 9 P HA 0.186 nan 4.420 nan 0.000 0.269 9 P C -1.324 175.986 177.300 0.016 0.000 1.211 9 P CA -0.230 62.882 63.100 0.020 0.000 0.781 9 P CB 0.425 32.140 31.700 0.025 0.000 0.877 10 A N 1.424 124.252 122.820 0.013 0.000 2.359 10 A HA 0.518 4.835 4.320 -0.006 0.000 0.303 10 A C -0.948 176.640 177.584 0.007 0.000 1.066 10 A CA -0.583 51.459 52.037 0.008 0.000 0.730 10 A CB 1.177 20.181 19.000 0.007 0.000 1.211 10 A HN 0.320 nan 8.150 nan 0.000 0.439 11 V N 2.675 122.590 119.914 0.002 0.000 2.364 11 V HA 0.263 4.379 4.120 -0.006 0.000 0.272 11 V C 0.369 176.461 176.094 -0.003 0.000 1.036 11 V CA -0.275 62.025 62.300 -0.001 0.000 0.880 11 V CB 1.137 32.956 31.823 -0.008 0.000 0.991 11 V HN 0.948 nan 8.190 nan 0.000 0.460 12 E N 4.516 124.717 120.200 0.001 0.000 2.130 12 E HA 0.345 4.692 4.350 -0.006 0.000 0.284 12 E C -0.913 175.687 176.600 -0.000 0.000 1.018 12 E CA -0.789 55.612 56.400 0.001 0.000 0.817 12 E CB 1.222 30.925 29.700 0.005 0.000 1.078 12 E HN 0.554 nan 8.360 nan 0.000 0.396 13 L N 5.446 126.666 121.223 -0.005 0.000 2.260 13 L HA 0.253 4.590 4.340 -0.006 0.000 0.289 13 L C -0.134 176.737 176.870 0.001 0.000 1.057 13 L CA 0.518 55.353 54.840 -0.008 0.000 0.811 13 L CB 1.203 43.252 42.059 -0.017 0.000 1.184 13 L HN 0.728 nan 8.230 nan 0.000 0.429 14 D N 2.777 123.182 120.400 0.009 0.000 3.136 14 D HA 0.186 4.822 4.640 -0.006 0.000 0.254 14 D C 1.350 177.662 176.300 0.020 0.000 1.563 14 D CA 0.882 54.891 54.000 0.016 0.000 1.225 14 D CB 0.700 41.513 40.800 0.022 0.000 1.079 14 D HN 0.586 nan 8.370 nan 0.000 0.314 15 R N -1.837 118.686 120.500 0.037 0.000 2.493 15 R HA 0.229 4.565 4.340 -0.006 0.000 0.177 15 R C 0.137 176.482 176.300 0.075 0.000 0.861 15 R CA -0.242 55.887 56.100 0.048 0.000 1.083 15 R CB 0.526 30.859 30.300 0.055 0.000 1.328 15 R HN 0.167 nan 8.270 nan 0.000 0.615 16 H N 0.579 119.644 119.070 -0.008 0.000 2.469 16 H HA 0.569 5.121 4.556 -0.007 0.000 0.342 16 H C -1.345 173.979 175.328 -0.007 0.000 1.115 16 H CA -0.651 55.392 56.048 -0.009 0.000 1.204 16 H CB 1.384 31.140 29.762 -0.009 0.000 1.492 16 H HN 0.044 nan 8.280 nan 0.000 0.499 17 I N 4.513 124.740 120.570 -0.571 0.000 2.533 17 I HA 0.254 4.420 4.170 -0.006 0.000 0.290 17 I C -1.161 174.664 176.117 -0.487 0.000 1.056 17 I CA -0.880 60.215 61.300 -0.340 0.000 1.057 17 I CB 1.421 39.310 38.000 -0.184 0.000 1.240 17 I HN 0.838 nan 8.210 nan 0.000 0.423 18 D N 6.102 126.383 120.400 -0.200 0.000 2.387 18 D HA 0.213 4.850 4.640 -0.006 0.000 0.251 18 D C 1.006 177.277 176.300 -0.048 0.000 1.141 18 D CA -0.560 53.391 54.000 -0.081 0.000 0.987 18 D CB 0.976 41.811 40.800 0.059 0.000 1.116 18 D HN 0.505 nan 8.370 nan 0.000 0.491 19 L N -0.401 120.820 121.223 -0.003 0.000 2.079 19 L HA -0.147 4.190 4.340 -0.006 0.000 0.210 19 L C 1.462 178.367 176.870 0.059 0.000 1.081 19 L CA 1.396 56.252 54.840 0.026 0.000 0.752 19 L CB -0.471 41.617 42.059 0.048 0.000 0.896 19 L HN 0.438 nan 8.230 nan 0.000 0.433 20 D N -0.282 120.153 120.400 0.058 0.000 2.144 20 D HA -0.158 4.478 4.640 -0.006 0.000 0.200 20 D C 2.342 178.680 176.300 0.064 0.000 0.978 20 D CA 0.992 55.040 54.000 0.079 0.000 0.833 20 D CB -0.080 40.760 40.800 0.066 0.000 0.961 20 D HN 0.408 nan 8.370 nan 0.000 0.470 21 Q N 0.303 120.122 119.800 0.032 0.000 2.119 21 Q HA -0.041 4.295 4.340 -0.006 0.000 0.201 21 Q C 2.188 178.187 176.000 -0.003 0.000 0.972 21 Q CA 1.248 57.059 55.803 0.013 0.000 0.847 21 Q CB -0.053 28.682 28.738 -0.006 0.000 0.903 21 Q HN 0.198 nan 8.270 nan 0.000 0.433 22 A N 0.860 123.674 122.820 -0.009 0.000 1.877 22 A HA -0.228 4.089 4.320 -0.006 0.000 0.216 22 A C 1.948 179.516 177.584 -0.028 0.000 1.186 22 A CA 1.544 53.564 52.037 -0.028 0.000 0.620 22 A CB -0.788 18.195 19.000 -0.029 0.000 0.822 22 A HN 0.421 nan 8.150 nan 0.000 0.443 23 H N -0.020 118.998 119.070 -0.087 0.000 2.462 23 H HA 0.085 4.637 4.556 -0.007 0.000 0.292 23 H C 2.176 177.423 175.328 -0.136 0.000 1.049 23 H CA 1.319 57.276 56.048 -0.150 0.000 1.334 23 H CB -0.109 29.480 29.762 -0.289 0.000 1.404 23 H HN 0.408 nan 8.280 nan 0.000 0.544 24 A N 0.346 123.181 122.820 0.025 0.000 1.898 24 A HA -0.079 4.238 4.320 -0.006 0.000 0.216 24 A C 2.799 180.359 177.584 -0.040 0.000 1.181 24 A CA 1.425 53.476 52.037 0.024 0.000 0.620 24 A CB -0.739 18.288 19.000 0.045 0.000 0.819 24 A HN 0.274 nan 8.150 nan 0.000 0.442 25 V N -0.252 119.622 119.914 -0.065 0.000 2.283 25 V HA -0.176 3.940 4.120 -0.006 0.000 0.243 25 V C 3.064 179.067 176.094 -0.152 0.000 1.039 25 V CA 1.789 64.040 62.300 -0.082 0.000 1.016 25 V CB -1.233 30.544 31.823 -0.076 0.000 0.650 25 V HN 0.588 nan 8.190 nan 0.000 0.449 26 A N 0.823 123.511 122.820 -0.220 0.000 1.940 26 A HA -0.204 4.113 4.320 -0.006 0.000 0.219 26 A C 2.349 179.707 177.584 -0.377 0.000 1.176 26 A CA 2.262 54.106 52.037 -0.321 0.000 0.631 26 A CB -0.695 18.110 19.000 -0.326 0.000 0.814 26 A HN 0.700 nan 8.150 nan 0.000 0.446 27 S N -1.710 113.795 115.700 -0.325 0.000 2.650 27 S HA 0.375 4.841 4.470 -0.006 0.000 0.219 27 S C 1.357 176.067 174.600 0.184 0.000 0.960 27 S CA 0.981 59.134 58.200 -0.078 0.000 0.925 27 S CB -0.500 62.591 63.200 -0.181 0.000 0.775 27 S HN 1.941 nan 8.310 nan 0.000 0.525 28 G N 0.409 109.256 108.800 0.079 0.000 2.155 28 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.257 28 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.257 28 G C 0.850 175.821 174.900 0.118 0.000 0.983 28 G CA 0.180 45.386 45.100 0.177 0.000 0.676 28 G HN 0.968 nan 8.290 nan 0.000 0.528 29 G N -0.558 108.288 108.800 0.077 0.000 2.511 29 G HA2 0.561 4.517 3.960 -0.006 0.000 0.217 29 G HA3 0.561 4.517 3.960 -0.006 0.000 0.217 29 G C 0.655 175.584 174.900 0.048 0.000 1.133 29 G CA 1.636 46.778 45.100 0.069 0.000 0.792 29 G HN 1.792 nan 8.290 nan 0.000 0.539 30 A N -0.438 122.401 122.820 0.031 0.000 2.498 30 A HA 0.805 5.121 4.320 -0.006 0.000 0.298 30 A C -0.241 177.348 177.584 0.008 0.000 1.075 30 A CA -0.811 51.238 52.037 0.020 0.000 0.714 30 A CB 1.590 20.599 19.000 0.016 0.000 1.299 30 A HN 0.199 nan 8.150 nan 0.000 0.407 31 R N -0.068 120.437 120.500 0.008 0.000 2.546 31 R HA 0.665 5.001 4.340 -0.006 0.000 0.266 31 R C -0.780 175.515 176.300 -0.008 0.000 1.086 31 R CA -0.414 55.687 56.100 0.001 0.000 1.160 31 R CB 1.227 31.529 30.300 0.005 0.000 1.138 31 R HN 0.684 nan 8.270 nan 0.000 0.567 32 I N 0.802 121.364 120.570 -0.013 0.000 2.545 32 I HA 0.403 4.570 4.170 -0.006 0.000 0.292 32 I C -1.446 174.663 176.117 -0.012 0.000 1.040 32 I CA -0.878 60.412 61.300 -0.017 0.000 1.068 32 I CB 1.946 39.929 38.000 -0.028 0.000 1.251 32 I HN 0.274 nan 8.210 nan 0.000 0.424 33 V N 8.077 127.985 119.914 -0.010 0.000 2.709 33 V HA 0.481 4.598 4.120 -0.006 0.000 0.308 33 V C -1.342 174.749 176.094 -0.006 0.000 1.062 33 V CA -0.704 61.592 62.300 -0.007 0.000 0.901 33 V CB 2.087 33.908 31.823 -0.003 0.000 1.003 33 V HN 0.649 nan 8.190 nan 0.000 0.425 34 L N 6.769 127.988 121.223 -0.006 0.000 2.315 34 L HA 0.732 5.069 4.340 -0.006 0.000 0.283 34 L C 0.763 177.632 176.870 -0.001 0.000 1.089 34 L CA 0.647 55.484 54.840 -0.004 0.000 0.833 34 L CB 0.738 42.794 42.059 -0.005 0.000 1.170 34 L HN 0.910 nan 8.230 nan 0.000 0.442 35 A N 6.983 129.803 122.820 0.001 0.000 2.483 35 A HA 0.329 4.645 4.320 -0.006 0.000 0.238 35 A C -1.498 176.088 177.584 0.004 0.000 1.070 35 A CA -0.736 51.303 52.037 0.003 0.000 0.770 35 A CB -0.352 18.652 19.000 0.006 0.000 1.008 35 A HN 0.785 nan 8.150 nan 0.000 0.497 36 P HA -0.177 nan 4.420 nan 0.000 0.217 36 P C -1.441 175.861 177.300 0.005 0.000 1.158 36 P CA 2.000 65.102 63.100 0.003 0.000 0.887 36 P CB -0.765 30.937 31.700 0.003 0.000 0.792 37 P HA -0.131 nan 4.420 nan 0.000 0.218 37 P C 1.334 178.639 177.300 0.008 0.000 1.149 37 P CA 1.920 65.025 63.100 0.008 0.000 0.817 37 P CB -0.570 31.136 31.700 0.009 0.000 0.785 38 A N -0.365 122.459 122.820 0.008 0.000 1.898 38 A HA -0.140 4.176 4.320 -0.006 0.000 0.214 38 A C 2.392 179.980 177.584 0.007 0.000 1.183 38 A CA 1.114 53.156 52.037 0.008 0.000 0.622 38 A CB -1.045 17.959 19.000 0.006 0.000 0.824 38 A HN -0.012 nan 8.150 nan 0.000 0.444 39 R N -0.138 120.364 120.500 0.004 0.000 2.091 39 R HA -0.177 4.160 4.340 -0.006 0.000 0.238 39 R C 1.259 177.562 176.300 0.004 0.000 1.136 39 R CA 1.967 58.069 56.100 0.003 0.000 0.959 39 R CB -0.332 29.968 30.300 0.001 0.000 0.856 39 R HN 0.459 nan 8.270 nan 0.000 0.437 40 D N 0.047 120.450 120.400 0.005 0.000 2.144 40 D HA -0.163 4.474 4.640 -0.006 0.000 0.200 40 D C 1.971 178.276 176.300 0.008 0.000 0.978 40 D CA 1.360 55.363 54.000 0.005 0.000 0.833 40 D CB -0.167 40.636 40.800 0.005 0.000 0.961 40 D HN 0.477 nan 8.370 nan 0.000 0.470 41 R N 0.242 120.748 120.500 0.010 0.000 2.189 41 R HA 0.038 4.374 4.340 -0.006 0.000 0.218 41 R C 2.010 178.321 176.300 0.017 0.000 1.074 41 R CA 0.860 56.968 56.100 0.015 0.000 0.991 41 R CB -0.728 29.582 30.300 0.016 0.000 0.883 41 R HN 0.062 nan 8.270 nan 0.000 0.457 42 C N 0.843 120.152 119.300 0.015 0.000 2.486 42 C HA 0.175 4.631 4.460 -0.006 0.000 0.279 42 C C 2.604 177.600 174.990 0.011 0.000 1.302 42 C CA 0.358 59.386 59.018 0.017 0.000 1.720 42 C CB -0.696 27.052 27.740 0.013 0.000 2.030 42 C HN 0.528 nan 8.230 nan 0.000 0.490 43 R N 1.083 121.586 120.500 0.006 0.000 2.120 43 R HA -0.102 4.234 4.340 -0.006 0.000 0.234 43 R C 2.302 178.602 176.300 0.001 0.000 1.123 43 R CA 1.537 57.638 56.100 0.002 0.000 0.975 43 R CB -0.404 29.896 30.300 0.000 0.000 0.866 43 R HN 0.550 nan 8.270 nan 0.000 0.446 44 A N 0.107 122.929 122.820 0.004 0.000 1.930 44 A HA -0.145 4.171 4.320 -0.006 0.000 0.217 44 A C 2.165 179.749 177.584 -0.001 0.000 1.175 44 A CA 1.663 53.702 52.037 0.003 0.000 0.627 44 A CB -0.429 18.576 19.000 0.009 0.000 0.815 44 A HN 0.279 nan 8.150 nan 0.000 0.443 45 S N -0.767 114.938 115.700 0.008 0.000 2.371 45 S HA -0.179 4.287 4.470 -0.006 0.000 0.224 45 S C 2.010 176.584 174.600 -0.043 0.000 1.029 45 S CA 1.482 59.686 58.200 0.006 0.000 0.978 45 S CB -0.331 62.899 63.200 0.049 0.000 0.833 45 S HN 0.665 nan 8.310 nan 0.000 0.466 46 E N 0.356 120.544 120.200 -0.020 0.000 2.118 46 E HA -0.158 4.188 4.350 -0.006 0.000 0.195 46 E C 2.025 178.609 176.600 -0.027 0.000 0.992 46 E CA 1.110 57.499 56.400 -0.018 0.000 0.804 46 E CB -0.335 29.364 29.700 -0.002 0.000 0.741 46 E HN 0.612 nan 8.360 nan 0.000 0.458 47 A N 1.139 123.942 122.820 -0.028 0.000 1.930 47 A HA -0.142 4.174 4.320 -0.006 0.000 0.217 47 A C 2.119 179.662 177.584 -0.068 0.000 1.175 47 A CA 1.200 53.219 52.037 -0.030 0.000 0.627 47 A CB -0.349 18.640 19.000 -0.018 0.000 0.815 47 A HN 0.169 nan 8.150 nan 0.000 0.443 48 R N -1.143 119.300 120.500 -0.094 0.000 2.092 48 R HA -0.079 4.257 4.340 -0.006 0.000 0.231 48 R C 2.077 178.207 176.300 -0.283 0.000 1.119 48 R CA 1.296 57.313 56.100 -0.138 0.000 0.970 48 R CB -0.568 29.672 30.300 -0.100 0.000 0.864 48 R HN 0.486 nan 8.270 nan 0.000 0.440 49 L N 0.652 121.642 121.223 -0.390 0.000 2.017 49 L HA -0.028 4.309 4.340 -0.006 0.000 0.208 49 L C 2.173 178.830 176.870 -0.355 0.000 1.073 49 L CA 2.140 56.655 54.840 -0.542 0.000 0.745 49 L CB -1.090 40.732 42.059 -0.394 0.000 0.894 49 L HN 0.168 nan 8.230 nan 0.000 0.432 50 G N -1.090 107.581 108.800 -0.215 0.000 2.442 50 G HA2 -0.276 3.681 3.960 -0.006 0.000 0.219 50 G HA3 -0.276 3.681 3.960 -0.006 0.000 0.219 50 G C 1.575 176.369 174.900 -0.177 0.000 1.141 50 G CA 0.901 45.875 45.100 -0.209 0.000 0.763 50 G HN 0.662 nan 8.290 nan 0.000 0.554 51 A N -0.012 122.728 122.820 -0.133 0.000 1.930 51 A HA 0.153 4.470 4.320 -0.006 0.000 0.217 51 A C 2.588 180.118 177.584 -0.090 0.000 1.175 51 A CA 1.612 53.595 52.037 -0.089 0.000 0.627 51 A CB -0.526 18.437 19.000 -0.062 0.000 0.815 51 A HN 0.239 nan 8.150 nan 0.000 0.443 52 V N 0.366 120.206 119.914 -0.124 0.000 2.343 52 V HA -0.270 3.846 4.120 -0.006 0.000 0.247 52 V C 2.408 178.459 176.094 -0.071 0.000 1.051 52 V CA 2.064 64.321 62.300 -0.072 0.000 1.036 52 V CB -0.615 31.159 31.823 -0.081 0.000 0.654 52 V HN 0.574 nan 8.190 nan 0.000 0.451 53 I N -0.562 119.918 120.570 -0.152 0.000 2.252 53 I HA -0.200 3.966 4.170 -0.006 0.000 0.245 53 I C 2.715 178.773 176.117 -0.099 0.000 1.102 53 I CA 1.388 62.598 61.300 -0.149 0.000 1.385 53 I CB -0.443 37.375 38.000 -0.304 0.000 1.064 53 I HN 0.231 nan 8.210 nan 0.000 0.414 54 R N 0.956 121.397 120.500 -0.098 0.000 2.096 54 R HA -0.152 4.185 4.340 -0.006 0.000 0.235 54 R C 1.677 177.957 176.300 -0.033 0.000 1.127 54 R CA 1.240 57.306 56.100 -0.057 0.000 0.968 54 R CB -0.284 29.987 30.300 -0.049 0.000 0.861 54 R HN 0.498 nan 8.270 nan 0.000 0.440 55 E N 0.162 120.345 120.200 -0.028 0.000 2.502 55 E HA 0.118 4.465 4.350 -0.006 0.000 0.194 55 E C 0.370 176.971 176.600 0.002 0.000 1.062 55 E CA 0.340 56.735 56.400 -0.008 0.000 0.867 55 E CB 0.423 30.124 29.700 0.001 0.000 0.888 55 E HN 0.315 nan 8.360 nan 0.000 0.510 56 A N 2.146 124.964 122.820 -0.003 0.000 2.822 56 A HA -0.221 4.096 4.320 -0.006 0.000 0.287 56 A C 0.087 177.695 177.584 0.039 0.000 1.479 56 A CA 0.518 52.561 52.037 0.009 0.000 0.779 56 A CB -1.383 17.616 19.000 -0.001 0.000 1.022 56 A HN 0.144 nan 8.150 nan 0.000 0.532 57 R N 0.175 120.711 120.500 0.060 0.000 2.623 57 R HA 0.088 4.425 4.340 -0.006 0.000 0.271 57 R C 0.538 176.941 176.300 0.172 0.000 1.043 57 R CA -0.035 56.130 56.100 0.109 0.000 1.083 57 R CB 0.087 30.458 30.300 0.118 0.000 0.974 57 R HN 0.718 nan 8.270 nan 0.000 0.436 58 H N 2.006 121.113 119.070 0.062 0.000 3.157 58 H HA 0.216 4.770 4.556 -0.004 0.000 0.260 58 H C -0.889 174.514 175.328 0.124 0.000 1.232 58 H CA -0.401 55.680 56.048 0.055 0.000 1.488 58 H CB 0.189 29.961 29.762 0.017 0.000 1.548 58 H HN 0.051 nan 8.280 nan 0.000 0.487 59 V N 6.122 126.209 119.914 0.289 0.000 2.709 59 V HA 0.013 4.129 4.120 -0.006 0.000 0.308 59 V C -0.687 175.607 176.094 0.333 0.000 1.062 59 V CA -1.010 61.489 62.300 0.332 0.000 0.901 59 V CB 1.446 33.460 31.823 0.319 0.000 1.003 59 V HN 0.629 nan 8.190 nan 0.000 0.425 60 Y N 3.419 123.936 120.300 0.362 0.000 2.717 60 Y HA 0.385 4.937 4.550 0.004 0.000 0.330 60 Y C 1.359 177.343 175.900 0.140 0.000 1.217 60 Y CA 1.702 59.923 58.100 0.201 0.000 1.506 60 Y CB 0.596 39.228 38.460 0.288 0.000 1.268 60 Y HN 1.035 nan 8.280 nan 0.000 0.561 61 G N 4.041 112.524 108.800 -0.529 0.000 2.234 61 G HA2 -0.306 3.650 3.960 -0.006 0.000 0.260 61 G HA3 -0.306 3.650 3.960 -0.006 0.000 0.260 61 G C 0.647 175.489 174.900 -0.097 0.000 0.987 61 G CA 0.621 45.514 45.100 -0.346 0.000 0.625 61 G HN 0.669 nan 8.290 nan 0.000 0.532 62 L N -0.057 121.153 121.223 -0.022 0.000 2.577 62 L HA 0.301 4.637 4.340 -0.006 0.000 0.225 62 L C 2.128 178.995 176.870 -0.005 0.000 1.053 62 L CA 1.544 56.399 54.840 0.026 0.000 0.866 62 L CB 0.552 42.665 42.059 0.090 0.000 1.132 62 L HN 0.460 nan 8.230 nan 0.000 0.486 63 T N -4.095 110.459 114.554 -0.001 0.000 3.403 63 T HA 0.190 4.536 4.350 -0.006 0.000 0.308 63 T C 0.227 174.909 174.700 -0.030 0.000 0.952 63 T CA 0.127 62.225 62.100 -0.003 0.000 0.970 63 T CB 0.033 68.932 68.868 0.051 0.000 1.189 63 T HN 0.170 nan 8.240 nan 0.000 0.528 64 T N -1.913 112.570 114.554 -0.119 0.000 2.841 64 T HA 0.783 5.129 4.350 -0.006 0.000 0.296 64 T C 0.480 174.928 174.700 -0.420 0.000 1.166 64 T CA -0.307 61.701 62.100 -0.154 0.000 1.007 64 T CB 1.413 70.286 68.868 0.008 0.000 1.253 64 T HN 0.318 nan 8.240 nan 0.000 0.511 65 G N -0.217 108.386 108.800 -0.329 0.000 2.563 65 G HA2 0.570 4.526 3.960 -0.006 0.000 0.283 65 G HA3 0.570 4.526 3.960 -0.006 0.000 0.283 65 G C -1.061 173.483 174.900 -0.593 0.000 1.309 65 G CA -0.817 44.018 45.100 -0.442 0.000 1.022 65 G HN 0.543 nan 8.290 nan 0.000 0.501 66 F N -0.535 119.399 119.950 -0.026 0.000 2.432 66 F HA 0.587 5.109 4.527 -0.009 0.000 0.329 66 F C 1.245 177.177 175.800 0.221 0.000 1.076 66 F CA 0.459 58.516 58.000 0.094 0.000 1.018 66 F CB 1.323 40.432 39.000 0.182 0.000 1.201 66 F HN 1.010 nan 8.300 nan 0.000 0.489 67 G N 2.156 111.301 108.800 0.574 0.000 2.614 67 G HA2 -0.279 3.677 3.960 -0.006 0.000 0.303 67 G HA3 -0.279 3.677 3.960 -0.006 0.000 0.303 67 G C -1.641 173.377 174.900 0.196 0.000 1.270 67 G CA 0.043 45.319 45.100 0.293 0.000 0.988 67 G HN 0.560 nan 8.290 nan 0.000 0.551 68 P HA 0.079 nan 4.420 nan 0.000 0.234 68 P C 1.612 178.950 177.300 0.063 0.000 1.167 68 P CA 0.982 64.126 63.100 0.074 0.000 0.763 68 P CB -0.089 31.639 31.700 0.047 0.000 0.835 69 L N -1.086 120.178 121.223 0.069 0.000 2.611 69 L HA 0.222 4.558 4.340 -0.006 0.000 0.229 69 L C 2.317 179.203 176.870 0.026 0.000 1.137 69 L CA 0.137 54.994 54.840 0.027 0.000 0.901 69 L CB -0.583 41.473 42.059 -0.005 0.000 1.098 69 L HN -0.097 nan 8.230 nan 0.000 0.456 70 A N 1.427 124.303 122.820 0.093 0.000 2.125 70 A HA -0.185 4.131 4.320 -0.006 0.000 0.219 70 A C 1.973 179.607 177.584 0.083 0.000 1.156 70 A CA 1.500 53.608 52.037 0.118 0.000 0.671 70 A CB -0.534 18.641 19.000 0.291 0.000 0.794 70 A HN 0.654 nan 8.150 nan 0.000 0.459 71 N N -0.530 118.204 118.700 0.056 0.000 2.521 71 N HA -0.051 4.685 4.740 -0.006 0.000 0.188 71 N C 0.015 175.528 175.510 0.005 0.000 1.146 71 N CA 0.299 53.372 53.050 0.039 0.000 0.893 71 N CB -0.209 38.294 38.487 0.027 0.000 0.975 71 N HN 0.184 nan 8.380 nan 0.000 0.451 72 R N 1.067 121.560 120.500 -0.012 0.000 2.230 72 R HA 0.387 4.724 4.340 -0.006 0.000 0.337 72 R C -0.212 176.053 176.300 -0.057 0.000 1.063 72 R CA -0.318 55.760 56.100 -0.038 0.000 0.935 72 R CB 0.608 30.881 30.300 -0.045 0.000 1.121 72 R HN 0.154 nan 8.270 nan 0.000 0.486 73 L N 3.994 125.177 121.223 -0.067 0.000 2.426 73 L HA 0.303 4.639 4.340 -0.006 0.000 0.271 73 L C 0.199 177.022 176.870 -0.078 0.000 1.169 73 L CA -0.156 54.632 54.840 -0.088 0.000 0.836 73 L CB 0.436 42.416 42.059 -0.132 0.000 1.112 73 L HN 0.339 nan 8.230 nan 0.000 0.465 74 I N 0.993 121.516 120.570 -0.079 0.000 2.603 74 I HA 0.299 4.465 4.170 -0.006 0.000 0.300 74 I C 0.194 176.281 176.117 -0.050 0.000 1.017 74 I CA -0.443 60.817 61.300 -0.067 0.000 1.098 74 I CB 1.829 39.779 38.000 -0.084 0.000 1.279 74 I HN 0.502 nan 8.210 nan 0.000 0.437 75 S N 2.800 118.478 115.700 -0.038 0.000 2.584 75 S HA 0.288 4.754 4.470 -0.006 0.000 0.273 75 S C 1.364 175.952 174.600 -0.020 0.000 1.311 75 S CA -0.198 57.985 58.200 -0.028 0.000 1.034 75 S CB 1.451 64.638 63.200 -0.022 0.000 0.939 75 S HN 0.916 nan 8.310 nan 0.000 0.513 76 G N 1.474 110.264 108.800 -0.016 0.000 2.479 76 G HA2 -0.218 3.738 3.960 -0.006 0.000 0.220 76 G HA3 -0.218 3.738 3.960 -0.006 0.000 0.220 76 G C 1.075 175.974 174.900 -0.002 0.000 1.115 76 G CA 0.795 45.889 45.100 -0.010 0.000 0.757 76 G HN 0.894 nan 8.290 nan 0.000 0.560 77 E N -0.103 120.095 120.200 -0.003 0.000 2.478 77 E HA 0.006 4.352 4.350 -0.006 0.000 0.198 77 E C 0.810 177.413 176.600 0.005 0.000 1.046 77 E CA 0.469 56.870 56.400 0.002 0.000 0.870 77 E CB -0.019 29.681 29.700 -0.001 0.000 0.818 77 E HN 0.320 nan 8.360 nan 0.000 0.527 78 N N 0.465 119.166 118.700 0.002 0.000 2.241 78 N HA 0.074 4.811 4.740 -0.006 0.000 0.238 78 N C 0.999 176.515 175.510 0.010 0.000 1.244 78 N CA 0.051 53.104 53.050 0.005 0.000 0.880 78 N CB 1.430 39.916 38.487 -0.001 0.000 1.179 78 N HN 0.011 nan 8.380 nan 0.000 0.513 79 V N 1.070 120.991 119.914 0.013 0.000 2.427 79 V HA -0.141 3.975 4.120 -0.006 0.000 0.248 79 V C 2.354 178.473 176.094 0.041 0.000 1.051 79 V CA 1.485 63.799 62.300 0.023 0.000 1.048 79 V CB -0.263 31.577 31.823 0.027 0.000 0.666 79 V HN 0.243 nan 8.190 nan 0.000 0.456 80 R N -0.168 120.353 120.500 0.036 0.000 2.096 80 R HA -0.123 4.214 4.340 -0.006 0.000 0.235 80 R C 2.419 178.731 176.300 0.020 0.000 1.127 80 R CA 1.866 57.984 56.100 0.029 0.000 0.968 80 R CB -0.664 29.649 30.300 0.021 0.000 0.861 80 R HN 0.495 nan 8.270 nan 0.000 0.440 81 T N 1.838 116.407 114.554 0.024 0.000 2.777 81 T HA -0.117 4.229 4.350 -0.006 0.000 0.266 81 T C 1.752 176.482 174.700 0.051 0.000 1.040 81 T CA 0.962 63.078 62.100 0.027 0.000 1.141 81 T CB -0.230 68.656 68.868 0.031 0.000 0.868 81 T HN 0.078 nan 8.240 nan 0.000 0.444 82 L N 1.430 122.695 121.223 0.069 0.000 1.990 82 L HA -0.167 4.169 4.340 -0.006 0.000 0.213 82 L C 2.370 179.376 176.870 0.227 0.000 1.072 82 L CA 1.865 56.786 54.840 0.136 0.000 0.755 82 L CB -0.674 41.422 42.059 0.062 0.000 0.889 82 L HN 0.271 nan 8.230 nan 0.000 0.432 83 Q N -1.086 118.801 119.800 0.145 0.000 2.311 83 Q HA -0.022 4.314 4.340 -0.006 0.000 0.203 83 Q C 2.168 178.138 176.000 -0.049 0.000 0.954 83 Q CA 1.009 56.870 55.803 0.095 0.000 0.885 83 Q CB -0.208 28.574 28.738 0.073 0.000 0.963 83 Q HN 0.695 nan 8.270 nan 0.000 0.471 84 A N 1.615 124.390 122.820 -0.074 0.000 1.929 84 A HA -0.147 4.169 4.320 -0.006 0.000 0.216 84 A C 1.733 179.096 177.584 -0.369 0.000 1.176 84 A CA 1.166 53.065 52.037 -0.229 0.000 0.628 84 A CB -0.206 18.693 19.000 -0.168 0.000 0.816 84 A HN 0.239 nan 8.150 nan 0.000 0.444 85 N N -0.207 118.430 118.700 -0.104 0.000 2.331 85 N HA -0.078 4.658 4.740 -0.006 0.000 0.180 85 N C 1.548 177.109 175.510 0.085 0.000 1.019 85 N CA 1.096 54.177 53.050 0.051 0.000 0.881 85 N CB -0.462 38.149 38.487 0.206 0.000 0.972 85 N HN 0.432 nan 8.380 nan 0.000 0.435 86 L N 1.028 122.224 121.223 -0.046 0.000 1.989 86 L HA -0.109 4.228 4.340 -0.006 0.000 0.211 86 L C 1.923 178.363 176.870 -0.717 0.000 1.071 86 L CA 1.504 56.053 54.840 -0.486 0.000 0.749 86 L CB -0.771 40.911 42.059 -0.629 0.000 0.890 86 L HN -0.107 nan 8.230 nan 0.000 0.431 87 V N -0.320 119.329 119.914 -0.443 0.000 2.392 87 V HA -0.346 3.771 4.120 -0.006 0.000 0.249 87 V C 2.381 178.321 176.094 -0.258 0.000 1.059 87 V CA 2.226 64.307 62.300 -0.366 0.000 1.051 87 V CB -1.028 30.632 31.823 -0.271 0.000 0.658 87 V HN 0.632 nan 8.190 nan 0.000 0.455 88 H N -0.389 118.546 119.070 -0.226 0.000 2.276 88 H HA -0.149 4.403 4.556 -0.006 0.000 0.301 88 H C 2.250 177.509 175.328 -0.115 0.000 1.073 88 H CA 1.824 57.791 56.048 -0.134 0.000 1.311 88 H CB -0.256 29.493 29.762 -0.022 0.000 1.379 88 H HN 0.599 nan 8.280 nan 0.000 0.494 89 F N 0.783 120.763 119.950 0.050 0.000 2.365 89 F HA -0.044 4.477 4.527 -0.009 0.000 0.300 89 F C 1.662 177.436 175.800 -0.045 0.000 1.090 89 F CA 0.774 58.773 58.000 -0.001 0.000 1.408 89 F CB -0.747 38.258 39.000 0.007 0.000 1.060 89 F HN 0.009 nan 8.300 nan 0.000 0.534 90 L N 0.662 121.519 121.223 -0.609 0.000 2.313 90 L HA 0.176 4.512 4.340 -0.006 0.000 0.214 90 L C 1.911 178.634 176.870 -0.245 0.000 1.119 90 L CA 0.461 55.035 54.840 -0.443 0.000 0.809 90 L CB -0.727 40.957 42.059 -0.626 0.000 0.933 90 L HN 0.283 nan 8.230 nan 0.000 0.449 91 A N 0.180 122.822 122.820 -0.296 0.000 3.029 91 A HA 0.153 4.469 4.320 -0.006 0.000 0.251 91 A C 1.156 178.691 177.584 -0.081 0.000 1.749 91 A CA 0.207 51.957 52.037 -0.480 0.000 1.386 91 A CB -0.661 17.968 19.000 -0.619 0.000 1.043 91 A HN 0.362 nan 8.150 nan 0.000 0.638 92 S N -0.428 115.327 115.700 0.092 0.000 2.601 92 S HA 0.388 4.854 4.470 -0.006 0.000 0.244 92 S C 0.848 175.552 174.600 0.173 0.000 1.001 92 S CA 0.037 58.317 58.200 0.134 0.000 0.984 92 S CB 0.118 63.371 63.200 0.087 0.000 0.842 92 S HN 0.759 nan 8.310 nan 0.000 0.474 93 G N 1.503 110.514 108.800 0.352 0.000 2.544 93 G HA2 0.513 4.469 3.960 -0.006 0.000 0.242 93 G HA3 0.513 4.469 3.960 -0.006 0.000 0.242 93 G C -0.172 174.691 174.900 -0.061 0.000 1.247 93 G CA 0.034 45.172 45.100 0.064 0.000 0.840 93 G HN 1.017 nan 8.290 nan 0.000 0.578 94 V N -1.075 118.797 119.914 -0.071 0.000 3.181 94 V HA 1.031 5.147 4.120 -0.006 0.000 0.308 94 V C 0.505 176.559 176.094 -0.066 0.000 1.214 94 V CA -0.119 62.144 62.300 -0.063 0.000 1.053 94 V CB 1.127 32.936 31.823 -0.022 0.000 1.069 94 V HN 2.544 nan 8.190 nan 0.000 0.441 95 G N 0.808 109.578 108.800 -0.051 0.000 2.661 95 G HA2 0.080 4.036 3.960 -0.006 0.000 0.685 95 G HA3 0.080 4.036 3.960 -0.006 0.000 0.685 95 G C -3.104 171.768 174.900 -0.046 0.000 1.298 95 G CA -0.355 44.721 45.100 -0.040 0.000 0.855 95 G HN 0.990 nan 8.290 nan 0.000 0.560 96 P HA 0.382 nan 4.420 nan 0.000 0.266 96 P C 0.786 178.068 177.300 -0.030 0.000 1.195 96 P CA 0.076 63.164 63.100 -0.021 0.000 0.768 96 P CB 0.756 32.453 31.700 -0.005 0.000 0.838 97 V N 1.886 121.783 119.914 -0.028 0.000 2.924 97 V HA 0.150 4.267 4.120 -0.006 0.000 0.305 97 V C 0.291 176.380 176.094 -0.009 0.000 1.073 97 V CA -0.558 61.721 62.300 -0.034 0.000 1.098 97 V CB -0.264 31.544 31.823 -0.026 0.000 1.000 97 V HN 0.254 nan 8.190 nan 0.000 0.484 98 L N 2.888 124.103 121.223 -0.014 0.000 2.461 98 L HA 0.250 4.587 4.340 -0.006 0.000 0.272 98 L C 0.661 177.552 176.870 0.035 0.000 1.197 98 L CA -0.199 54.644 54.840 0.006 0.000 0.836 98 L CB 0.213 42.266 42.059 -0.010 0.000 1.105 98 L HN 1.034 nan 8.230 nan 0.000 0.477 99 D N 0.080 120.516 120.400 0.060 0.000 2.368 99 D HA -0.123 4.514 4.640 -0.006 0.000 0.240 99 D C 0.720 177.110 176.300 0.150 0.000 1.169 99 D CA -0.412 53.656 54.000 0.113 0.000 0.906 99 D CB 0.533 41.405 40.800 0.119 0.000 1.187 99 D HN 0.541 nan 8.370 nan 0.000 0.435 100 W N 1.347 122.650 121.300 0.006 0.000 2.290 100 W HA -0.298 4.360 4.660 -0.005 0.000 0.323 100 W C 2.177 178.689 176.519 -0.012 0.000 1.260 100 W CA 2.694 60.042 57.345 0.005 0.000 1.266 100 W CB -0.762 28.704 29.460 0.009 0.000 1.149 100 W HN 0.450 nan 8.180 nan 0.000 0.482 101 T N -0.446 114.229 114.554 0.202 0.000 2.821 101 T HA -0.183 4.163 4.350 -0.006 0.000 0.267 101 T C 1.562 176.183 174.700 -0.132 0.000 1.046 101 T CA 2.117 64.189 62.100 -0.048 0.000 1.139 101 T CB -0.739 68.188 68.868 0.098 0.000 0.871 101 T HN 0.178 nan 8.240 nan 0.000 0.454 102 T N 1.892 116.426 114.554 -0.034 0.000 2.812 102 T HA 0.071 4.417 4.350 -0.006 0.000 0.264 102 T C 2.439 177.091 174.700 -0.080 0.000 1.042 102 T CA 1.008 63.087 62.100 -0.035 0.000 1.140 102 T CB -0.477 68.400 68.868 0.016 0.000 0.870 102 T HN 0.408 nan 8.240 nan 0.000 0.445 103 A N 1.782 124.545 122.820 -0.095 0.000 1.933 103 A HA -0.112 4.205 4.320 -0.006 0.000 0.218 103 A C 2.361 179.841 177.584 -0.174 0.000 1.175 103 A CA 1.385 53.353 52.037 -0.114 0.000 0.628 103 A CB -0.444 18.496 19.000 -0.100 0.000 0.814 103 A HN 0.397 nan 8.150 nan 0.000 0.444 104 R N -0.671 119.657 120.500 -0.287 0.000 2.115 104 R HA 0.042 4.378 4.340 -0.006 0.000 0.226 104 R C 2.401 178.565 176.300 -0.226 0.000 1.100 104 R CA 0.968 56.872 56.100 -0.327 0.000 0.980 104 R CB -0.371 29.582 30.300 -0.579 0.000 0.875 104 R HN 0.500 nan 8.270 nan 0.000 0.445 105 A N 1.108 123.812 122.820 -0.194 0.000 1.972 105 A HA -0.178 4.139 4.320 -0.006 0.000 0.219 105 A C 2.098 179.626 177.584 -0.094 0.000 1.169 105 A CA 1.217 53.174 52.037 -0.133 0.000 0.635 105 A CB -0.417 18.526 19.000 -0.095 0.000 0.810 105 A HN 0.312 nan 8.150 nan 0.000 0.446 106 M N -0.300 119.248 119.600 -0.088 0.000 2.099 106 M HA -0.115 4.361 4.480 -0.006 0.000 0.262 106 M C 1.877 178.138 176.300 -0.066 0.000 1.067 106 M CA 1.940 57.202 55.300 -0.064 0.000 1.124 106 M CB -0.209 32.357 32.600 -0.057 0.000 1.353 106 M HN 0.195 nan 8.290 nan 0.000 0.410 107 V N 1.077 120.941 119.914 -0.083 0.000 2.343 107 V HA -0.270 3.846 4.120 -0.006 0.000 0.247 107 V C 2.410 178.463 176.094 -0.067 0.000 1.051 107 V CA 1.686 63.943 62.300 -0.072 0.000 1.036 107 V CB -0.960 30.813 31.823 -0.083 0.000 0.654 107 V HN 0.585 nan 8.190 nan 0.000 0.451 108 L N 1.026 122.199 121.223 -0.083 0.000 2.046 108 L HA -0.061 4.276 4.340 -0.006 0.000 0.208 108 L C 2.438 179.271 176.870 -0.061 0.000 1.077 108 L CA 2.370 57.165 54.840 -0.076 0.000 0.747 108 L CB -0.974 41.030 42.059 -0.093 0.000 0.896 108 L HN 0.205 nan 8.230 nan 0.000 0.432 109 A N -0.403 122.383 122.820 -0.058 0.000 1.933 109 A HA -0.250 4.067 4.320 -0.006 0.000 0.218 109 A C 2.471 180.033 177.584 -0.037 0.000 1.175 109 A CA 1.797 53.805 52.037 -0.048 0.000 0.628 109 A CB -0.604 18.370 19.000 -0.042 0.000 0.814 109 A HN 0.498 nan 8.150 nan 0.000 0.444 110 R N -0.714 119.766 120.500 -0.034 0.000 2.092 110 R HA -0.046 4.291 4.340 -0.006 0.000 0.231 110 R C 1.920 178.208 176.300 -0.020 0.000 1.119 110 R CA 1.412 57.498 56.100 -0.023 0.000 0.970 110 R CB -0.575 29.711 30.300 -0.023 0.000 0.864 110 R HN 0.434 nan 8.270 nan 0.000 0.440 111 L N -0.115 121.092 121.223 -0.027 0.000 2.046 111 L HA -0.091 4.245 4.340 -0.006 0.000 0.208 111 L C 1.874 178.731 176.870 -0.022 0.000 1.077 111 L CA 1.631 56.457 54.840 -0.023 0.000 0.747 111 L CB -0.489 41.551 42.059 -0.031 0.000 0.896 111 L HN 0.061 nan 8.230 nan 0.000 0.432 112 V N -0.991 118.904 119.914 -0.032 0.000 2.343 112 V HA -0.271 3.845 4.120 -0.006 0.000 0.247 112 V C 2.773 178.853 176.094 -0.023 0.000 1.051 112 V CA 1.811 64.091 62.300 -0.034 0.000 1.036 112 V CB -0.878 30.913 31.823 -0.053 0.000 0.654 112 V HN 0.646 nan 8.190 nan 0.000 0.451 113 S N -0.348 115.340 115.700 -0.020 0.000 2.370 113 S HA -0.164 4.302 4.470 -0.006 0.000 0.226 113 S C 1.917 176.519 174.600 0.003 0.000 1.033 113 S CA 1.768 59.962 58.200 -0.011 0.000 1.011 113 S CB -0.358 62.837 63.200 -0.008 0.000 0.852 113 S HN 0.529 nan 8.310 nan 0.000 0.457 114 I N 1.524 122.098 120.570 0.007 0.000 2.315 114 I HA -0.122 4.044 4.170 -0.006 0.000 0.248 114 I C 2.693 178.821 176.117 0.018 0.000 1.117 114 I CA 1.003 62.314 61.300 0.020 0.000 1.404 114 I CB -0.505 37.505 38.000 0.017 0.000 1.071 114 I HN 0.370 nan 8.210 nan 0.000 0.419 115 A N 0.111 122.935 122.820 0.007 0.000 2.131 115 A HA -0.199 4.117 4.320 -0.006 0.000 0.220 115 A C 2.053 179.644 177.584 0.012 0.000 1.158 115 A CA 1.155 53.196 52.037 0.006 0.000 0.665 115 A CB -0.338 18.661 19.000 -0.003 0.000 0.795 115 A HN 0.398 nan 8.150 nan 0.000 0.460 116 Q N -1.034 118.774 119.800 0.013 0.000 2.488 116 Q HA 0.061 4.398 4.340 -0.006 0.000 0.211 116 Q C 1.247 177.262 176.000 0.026 0.000 0.967 116 Q CA 0.743 56.555 55.803 0.016 0.000 0.926 116 Q CB -0.707 28.037 28.738 0.010 0.000 0.992 116 Q HN 1.016 nan 8.270 nan 0.000 0.506 117 G N 0.530 109.350 108.800 0.034 0.000 2.246 117 G HA2 -0.222 3.735 3.960 -0.006 0.000 0.273 117 G HA3 -0.222 3.735 3.960 -0.006 0.000 0.273 117 G C 0.466 175.409 174.900 0.072 0.000 1.055 117 G CA 0.454 45.581 45.100 0.046 0.000 0.851 117 G HN 0.528 nan 8.290 nan 0.000 0.500 118 A N -1.099 121.774 122.820 0.088 0.000 2.635 118 A HA 0.732 5.048 4.320 -0.006 0.000 0.279 118 A C 1.612 179.320 177.584 0.207 0.000 1.122 118 A CA 1.335 53.449 52.037 0.128 0.000 0.965 118 A CB 0.329 19.362 19.000 0.055 0.000 1.221 118 A HN 0.741 nan 8.150 nan 0.000 0.566 119 S N -1.180 114.648 115.700 0.212 0.000 2.505 119 S HA 0.369 4.836 4.470 -0.006 0.000 0.216 119 S C 1.471 176.281 174.600 0.350 0.000 1.018 119 S CA 0.662 59.020 58.200 0.265 0.000 0.911 119 S CB 0.442 63.724 63.200 0.136 0.000 0.818 119 S HN 1.673 nan 8.310 nan 0.000 0.497 120 G N 1.981 110.902 108.800 0.202 0.000 2.143 120 G HA2 -0.206 3.750 3.960 -0.006 0.000 0.248 120 G HA3 -0.206 3.750 3.960 -0.006 0.000 0.248 120 G C 0.173 175.104 174.900 0.052 0.000 0.991 120 G CA 0.048 45.171 45.100 0.037 0.000 0.689 120 G HN 0.864 nan 8.290 nan 0.000 0.522 121 A N 0.313 123.173 122.820 0.067 0.000 2.477 121 A HA 0.675 4.991 4.320 -0.006 0.000 0.246 121 A C 1.149 178.741 177.584 0.013 0.000 1.078 121 A CA 0.917 52.979 52.037 0.041 0.000 0.770 121 A CB 0.286 19.308 19.000 0.037 0.000 1.011 121 A HN 2.009 nan 8.150 nan 0.000 0.494 122 S N 1.616 117.310 115.700 -0.010 0.000 2.600 122 S HA 0.162 4.628 4.470 -0.006 0.000 0.265 122 S C 0.705 175.293 174.600 -0.021 0.000 1.325 122 S CA 0.138 58.320 58.200 -0.031 0.000 1.002 122 S CB 0.629 63.785 63.200 -0.073 0.000 0.921 122 S HN 0.716 nan 8.310 nan 0.000 0.554 123 E N 1.320 121.507 120.200 -0.023 0.000 2.110 123 E HA -0.083 4.263 4.350 -0.006 0.000 0.193 123 E C 2.159 178.749 176.600 -0.018 0.000 0.988 123 E CA 1.059 57.450 56.400 -0.016 0.000 0.804 123 E CB -0.740 28.950 29.700 -0.016 0.000 0.745 123 E HN 0.893 nan 8.360 nan 0.000 0.458 124 G N 0.665 109.450 108.800 -0.025 0.000 2.421 124 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.216 124 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.216 124 G C 1.649 176.538 174.900 -0.018 0.000 1.171 124 G CA 1.313 46.399 45.100 -0.023 0.000 0.775 124 G HN 0.186 nan 8.290 nan 0.000 0.543 125 T N 1.265 115.807 114.554 -0.020 0.000 2.746 125 T HA -0.043 4.304 4.350 -0.006 0.000 0.267 125 T C 2.388 177.083 174.700 -0.008 0.000 1.039 125 T CA 0.954 63.046 62.100 -0.013 0.000 1.142 125 T CB -0.158 68.702 68.868 -0.013 0.000 0.866 125 T HN 0.243 nan 8.240 nan 0.000 0.444 126 I N 1.229 121.795 120.570 -0.008 0.000 2.286 126 I HA -0.174 3.992 4.170 -0.006 0.000 0.248 126 I C 2.863 178.976 176.117 -0.008 0.000 1.115 126 I CA 1.033 62.329 61.300 -0.006 0.000 1.392 126 I CB -0.429 37.569 38.000 -0.005 0.000 1.065 126 I HN 0.191 nan 8.210 nan 0.000 0.418 127 A N 0.733 123.548 122.820 -0.008 0.000 1.972 127 A HA -0.165 4.151 4.320 -0.006 0.000 0.219 127 A C 2.326 179.906 177.584 -0.006 0.000 1.169 127 A CA 1.206 53.238 52.037 -0.008 0.000 0.635 127 A CB -0.366 18.628 19.000 -0.009 0.000 0.810 127 A HN 0.251 nan 8.150 nan 0.000 0.446 128 R N -0.188 120.310 120.500 -0.002 0.000 2.092 128 R HA -0.001 4.335 4.340 -0.006 0.000 0.231 128 R C 1.981 178.286 176.300 0.008 0.000 1.119 128 R CA 1.107 57.211 56.100 0.007 0.000 0.970 128 R CB -0.936 29.372 30.300 0.012 0.000 0.864 128 R HN 0.587 nan 8.270 nan 0.000 0.440 129 L N 0.135 121.357 121.223 -0.001 0.000 2.109 129 L HA -0.057 4.279 4.340 -0.006 0.000 0.207 129 L C 2.429 179.289 176.870 -0.017 0.000 1.086 129 L CA 0.981 55.815 54.840 -0.009 0.000 0.760 129 L CB -0.391 41.659 42.059 -0.015 0.000 0.910 129 L HN 0.062 nan 8.230 nan 0.000 0.437 130 I N -0.127 120.434 120.570 -0.015 0.000 2.252 130 I HA -0.250 3.917 4.170 -0.006 0.000 0.245 130 I C 2.044 178.151 176.117 -0.016 0.000 1.102 130 I CA 1.058 62.347 61.300 -0.018 0.000 1.385 130 I CB -0.332 37.659 38.000 -0.014 0.000 1.064 130 I HN 0.230 nan 8.210 nan 0.000 0.414 131 D N 0.827 121.220 120.400 -0.011 0.000 2.117 131 D HA -0.170 4.466 4.640 -0.006 0.000 0.197 131 D C 2.136 178.429 176.300 -0.011 0.000 0.987 131 D CA 0.924 54.917 54.000 -0.011 0.000 0.829 131 D CB -0.288 40.507 40.800 -0.010 0.000 0.961 131 D HN 0.154 nan 8.370 nan 0.000 0.460 132 L N 0.752 121.974 121.223 -0.003 0.000 1.994 132 L HA -0.132 4.205 4.340 -0.006 0.000 0.208 132 L C 2.139 178.993 176.870 -0.027 0.000 1.071 132 L CA 1.378 56.222 54.840 0.006 0.000 0.745 132 L CB -0.858 41.222 42.059 0.034 0.000 0.892 132 L HN 0.092 nan 8.230 nan 0.000 0.431 133 L N 0.186 121.382 121.223 -0.046 0.000 2.131 133 L HA -0.221 4.116 4.340 -0.006 0.000 0.210 133 L C 1.950 178.793 176.870 -0.044 0.000 1.092 133 L CA 1.002 55.797 54.840 -0.075 0.000 0.759 133 L CB -0.599 41.416 42.059 -0.074 0.000 0.903 133 L HN 0.380 nan 8.230 nan 0.000 0.435 134 N N -0.473 118.214 118.700 -0.020 0.000 2.412 134 N HA -0.018 4.718 4.740 -0.006 0.000 0.184 134 N C 0.959 176.478 175.510 0.016 0.000 1.101 134 N CA 0.422 53.471 53.050 -0.002 0.000 0.881 134 N CB 0.113 38.598 38.487 -0.004 0.000 0.969 134 N HN 0.355 nan 8.380 nan 0.000 0.459 135 S N 0.053 115.762 115.700 0.017 0.000 2.646 135 S HA 0.270 4.737 4.470 -0.006 0.000 0.273 135 S C 0.791 175.458 174.600 0.112 0.000 1.168 135 S CA -0.387 57.835 58.200 0.036 0.000 1.013 135 S CB 1.320 64.524 63.200 0.006 0.000 1.098 135 S HN -0.067 nan 8.310 nan 0.000 0.544 136 E N -0.113 120.179 120.200 0.153 0.000 2.476 136 E HA 0.367 4.714 4.350 -0.006 0.000 0.196 136 E C -0.137 176.761 176.600 0.496 0.000 1.029 136 E CA -0.028 56.554 56.400 0.303 0.000 0.896 136 E CB -0.040 29.746 29.700 0.144 0.000 1.012 136 E HN 0.502 nan 8.360 nan 0.000 0.475 137 L N -0.082 121.343 121.223 0.336 0.000 2.335 137 L HA 0.749 5.086 4.340 -0.006 0.000 0.268 137 L C -0.018 176.982 176.870 0.216 0.000 1.016 137 L CA -1.045 54.027 54.840 0.387 0.000 0.805 137 L CB 1.494 43.644 42.059 0.150 0.000 1.311 137 L HN -0.165 nan 8.230 nan 0.000 0.456 138 A N 0.801 123.769 122.820 0.248 0.000 2.549 138 A HA 0.791 5.107 4.320 -0.006 0.000 0.297 138 A C -2.819 174.858 177.584 0.154 0.000 1.061 138 A CA -1.345 50.687 52.037 -0.009 0.000 0.690 138 A CB 1.851 20.634 19.000 -0.362 0.000 1.287 138 A HN 0.360 nan 8.150 nan 0.000 0.402 139 P HA 0.390 nan 4.420 nan 0.000 0.275 139 P C -0.349 176.875 177.300 -0.127 0.000 1.228 139 P CA 0.060 63.039 63.100 -0.201 0.000 0.786 139 P CB 1.309 32.881 31.700 -0.212 0.000 0.927 140 A N 3.321 126.038 122.820 -0.171 0.000 2.366 140 A HA 0.475 4.792 4.320 -0.006 0.000 0.322 140 A C -0.217 177.303 177.584 -0.107 0.000 1.397 140 A CA -0.447 51.539 52.037 -0.084 0.000 0.984 140 A CB -0.279 18.688 19.000 -0.055 0.000 1.149 140 A HN 0.354 nan 8.150 nan 0.000 0.540 141 V N 4.981 124.839 119.914 -0.094 0.000 2.604 141 V HA 0.377 4.493 4.120 -0.006 0.000 0.305 141 V C -2.405 173.592 176.094 -0.162 0.000 1.043 141 V CA -1.906 60.320 62.300 -0.124 0.000 0.888 141 V CB 2.061 33.841 31.823 -0.070 0.000 0.995 141 V HN 0.702 nan 8.190 nan 0.000 0.429 142 P HA 0.112 nan 4.420 nan 0.000 0.268 142 P C 0.668 177.883 177.300 -0.141 0.000 1.205 142 P CA 0.025 62.980 63.100 -0.242 0.000 0.771 142 P CB 0.665 32.130 31.700 -0.392 0.000 0.858 143 S N 2.594 118.244 115.700 -0.083 0.000 2.470 143 S HA 0.052 4.518 4.470 -0.006 0.000 0.225 143 S C 0.676 175.259 174.600 -0.030 0.000 1.006 143 S CA 0.305 58.479 58.200 -0.043 0.000 0.934 143 S CB -0.098 63.089 63.200 -0.021 0.000 0.778 143 S HN 0.330 nan 8.310 nan 0.000 0.517 144 R N -0.104 120.374 120.500 -0.036 0.000 2.668 144 R HA 0.628 4.964 4.340 -0.006 0.000 0.279 144 R C 0.736 177.030 176.300 -0.010 0.000 0.976 144 R CA 0.004 56.094 56.100 -0.016 0.000 0.978 144 R CB 1.555 31.847 30.300 -0.012 0.000 1.133 144 R HN 0.330 nan 8.270 nan 0.000 0.484 145 G N 0.288 109.093 108.800 0.009 0.000 2.813 145 G HA2 -0.205 3.752 3.960 -0.006 0.000 0.194 145 G HA3 -0.205 3.752 3.960 -0.006 0.000 0.194 145 G C 0.050 174.967 174.900 0.028 0.000 1.010 145 G CA -0.095 45.020 45.100 0.024 0.000 0.771 145 G HN 0.598 nan 8.290 nan 0.000 0.485 146 T N 0.712 115.280 114.554 0.023 0.000 2.902 146 T HA 0.527 4.873 4.350 -0.006 0.000 0.283 146 T C 1.479 176.196 174.700 0.028 0.000 1.009 146 T CA 0.434 62.547 62.100 0.022 0.000 1.051 146 T CB 1.666 70.544 68.868 0.016 0.000 0.999 146 T HN 1.118 nan 8.240 nan 0.000 0.474 147 V N 1.348 121.281 119.914 0.032 0.000 3.596 147 V HA 0.578 4.694 4.120 -0.006 0.000 0.289 147 V C 1.192 177.317 176.094 0.051 0.000 1.336 147 V CA 0.258 62.584 62.300 0.043 0.000 1.137 147 V CB -1.447 30.403 31.823 0.045 0.000 0.966 147 V HN 1.371 nan 8.190 nan 0.000 0.428 153 L N -0.220 120.971 121.223 -0.053 0.000 1.989 153 L HA -0.182 4.155 4.340 -0.006 0.000 0.211 153 L C 2.406 179.224 176.870 -0.088 0.000 1.071 153 L CA 1.703 56.486 54.840 -0.096 0.000 0.749 153 L CB -0.817 41.166 42.059 -0.127 0.000 0.890 153 L HN 0.116 nan 8.230 nan 0.000 0.431 154 T N 0.294 114.824 114.554 -0.039 0.000 2.622 154 T HA -0.112 4.234 4.350 -0.006 0.000 0.266 154 T C -0.407 174.357 174.700 0.106 0.000 1.047 154 T CA 1.784 63.897 62.100 0.021 0.000 1.159 154 T CB -1.448 67.456 68.868 0.060 0.000 0.863 154 T HN 0.330 nan 8.240 nan 0.000 0.422 155 P HA -0.004 nan 4.420 nan 0.000 0.218 155 P C 1.607 178.931 177.300 0.039 0.000 1.149 155 P CA 1.031 64.169 63.100 0.063 0.000 0.817 155 P CB -0.239 31.467 31.700 0.009 0.000 0.785 156 L N -0.642 120.575 121.223 -0.009 0.000 2.109 156 L HA -0.069 4.268 4.340 -0.006 0.000 0.207 156 L C 2.819 179.647 176.870 -0.070 0.000 1.086 156 L CA 1.312 56.129 54.840 -0.040 0.000 0.760 156 L CB -1.055 40.973 42.059 -0.051 0.000 0.910 156 L HN -0.060 nan 8.230 nan 0.000 0.437 157 A N -0.933 121.821 122.820 -0.110 0.000 1.933 157 A HA -0.227 4.089 4.320 -0.006 0.000 0.218 157 A C 2.112 179.577 177.584 -0.199 0.000 1.175 157 A CA 1.321 53.239 52.037 -0.198 0.000 0.628 157 A CB -0.724 18.097 19.000 -0.298 0.000 0.814 157 A HN 0.413 nan 8.150 nan 0.000 0.444 158 H N -1.295 117.715 119.070 -0.100 0.000 2.423 158 H HA -0.069 4.483 4.556 -0.007 0.000 0.297 158 H C 2.070 177.328 175.328 -0.117 0.000 1.075 158 H CA 1.659 57.649 56.048 -0.096 0.000 1.342 158 H CB -0.215 29.495 29.762 -0.087 0.000 1.395 158 H HN 0.602 nan 8.280 nan 0.000 0.530 159 M N 0.524 120.121 119.600 -0.006 0.000 2.086 159 M HA -0.152 4.325 4.480 -0.006 0.000 0.261 159 M C 2.095 178.347 176.300 -0.080 0.000 1.067 159 M CA 1.300 56.562 55.300 -0.063 0.000 1.116 159 M CB -0.101 32.467 32.600 -0.053 0.000 1.348 159 M HN -0.009 nan 8.290 nan 0.000 0.407 160 V N 1.320 121.187 119.914 -0.077 0.000 2.287 160 V HA -0.309 3.807 4.120 -0.006 0.000 0.248 160 V C 2.446 178.500 176.094 -0.067 0.000 1.053 160 V CA 1.862 64.119 62.300 -0.072 0.000 1.027 160 V CB -0.792 30.975 31.823 -0.093 0.000 0.646 160 V HN 0.547 nan 8.190 nan 0.000 0.447 161 L N -0.842 120.333 121.223 -0.081 0.000 2.042 161 L HA -0.241 4.096 4.340 -0.006 0.000 0.210 161 L C 2.650 179.475 176.870 -0.074 0.000 1.076 161 L CA 1.661 56.465 54.840 -0.059 0.000 0.749 161 L CB -0.782 41.240 42.059 -0.063 0.000 0.893 161 L HN 0.412 nan 8.230 nan 0.000 0.432 162 C N -0.181 119.029 119.300 -0.150 0.000 2.429 162 C HA -0.147 4.309 4.460 -0.006 0.000 0.277 162 C C 2.692 177.558 174.990 -0.206 0.000 1.262 162 C CA 0.451 59.262 59.018 -0.344 0.000 1.733 162 C CB -0.819 26.581 27.740 -0.566 0.000 2.010 162 C HN 0.443 nan 8.230 nan 0.000 0.483 163 L N 0.222 121.412 121.223 -0.054 0.000 2.275 163 L HA -0.150 4.187 4.340 -0.006 0.000 0.215 163 L C 2.429 179.369 176.870 0.116 0.000 1.119 163 L CA 1.238 56.149 54.840 0.118 0.000 0.790 163 L CB -0.614 41.482 42.059 0.061 0.000 0.919 163 L HN 0.504 nan 8.230 nan 0.000 0.443 164 Q N -0.320 119.514 119.800 0.058 0.000 2.403 164 Q HA 0.099 4.435 4.340 -0.006 0.000 0.203 164 Q C 1.356 177.405 176.000 0.081 0.000 0.932 164 Q CA 0.514 56.349 55.803 0.053 0.000 0.945 164 Q CB 0.523 29.275 28.738 0.023 0.000 1.045 164 Q HN 0.560 nan 8.270 nan 0.000 0.511 165 G N 1.723 110.601 108.800 0.131 0.000 2.143 165 G HA2 -0.311 3.645 3.960 -0.006 0.000 0.249 165 G HA3 -0.311 3.645 3.960 -0.006 0.000 0.249 165 G C 0.485 175.444 174.900 0.099 0.000 0.981 165 G CA 0.049 45.250 45.100 0.169 0.000 0.665 165 G HN 0.320 nan 8.290 nan 0.000 0.528 166 R N 0.181 120.711 120.500 0.050 0.000 2.609 166 R HA 0.487 4.823 4.340 -0.006 0.000 0.326 166 R C 0.945 177.244 176.300 -0.002 0.000 1.090 166 R CA 0.488 56.605 56.100 0.028 0.000 1.072 166 R CB 0.699 31.016 30.300 0.029 0.000 1.330 166 R HN 0.541 nan 8.270 nan 0.000 0.572 167 G N -0.365 108.417 108.800 -0.030 0.000 2.677 167 G HA2 0.208 4.164 3.960 -0.006 0.000 0.291 167 G HA3 0.208 4.164 3.960 -0.006 0.000 0.291 167 G C -1.554 173.263 174.900 -0.139 0.000 1.435 167 G CA -0.685 44.364 45.100 -0.085 0.000 0.826 167 G HN -0.101 nan 8.290 nan 0.000 0.491 168 D N -0.519 119.811 120.400 -0.116 0.000 2.344 168 D HA 0.598 5.234 4.640 -0.006 0.000 0.244 168 D C -0.541 175.627 176.300 -0.221 0.000 1.134 168 D CA 0.523 54.486 54.000 -0.062 0.000 0.930 168 D CB 0.962 41.759 40.800 -0.004 0.000 1.175 168 D HN 0.089 nan 8.370 nan 0.000 0.437 169 F N -0.357 119.618 119.950 0.041 0.000 2.598 169 F HA 0.520 5.044 4.527 -0.005 0.000 0.327 169 F C -0.170 175.678 175.800 0.079 0.000 1.057 169 F CA -0.874 57.159 58.000 0.056 0.000 0.957 169 F CB 1.208 40.242 39.000 0.055 0.000 1.278 169 F HN -0.054 nan 8.300 nan 0.000 0.484 170 L N 1.709 123.140 121.223 0.346 0.000 2.362 170 L HA 0.449 4.786 4.340 -0.006 0.000 0.271 170 L C -0.940 176.151 176.870 0.369 0.000 1.002 170 L CA -1.063 53.954 54.840 0.295 0.000 0.818 170 L CB 1.875 44.112 42.059 0.297 0.000 1.298 170 L HN 0.590 nan 8.230 nan 0.000 0.420 171 D N 1.092 121.603 120.400 0.185 0.000 2.478 171 D HA 0.216 4.852 4.640 -0.006 0.000 0.263 171 D C 0.773 176.892 176.300 -0.301 0.000 1.153 171 D CA -0.652 53.374 54.000 0.043 0.000 1.038 171 D CB 0.847 41.633 40.800 -0.023 0.000 1.120 171 D HN 0.338 nan 8.370 nan 0.000 0.564 172 R N -0.608 119.458 120.500 -0.723 0.000 2.170 172 R HA -0.105 4.231 4.340 -0.006 0.000 0.242 172 R C 0.727 176.688 176.300 -0.565 0.000 1.145 172 R CA 1.436 56.798 56.100 -1.231 0.000 0.984 172 R CB -0.148 29.546 30.300 -1.011 0.000 0.869 172 R HN 0.513 nan 8.270 nan 0.000 0.455 173 D N -1.216 119.006 120.400 -0.297 0.000 2.355 173 D HA 0.039 4.675 4.640 -0.006 0.000 0.218 173 D C 1.217 177.476 176.300 -0.067 0.000 1.004 173 D CA 1.056 54.967 54.000 -0.149 0.000 0.880 173 D CB 0.674 41.412 40.800 -0.103 0.000 0.911 173 D HN 0.451 nan 8.370 nan 0.000 0.528 174 G N 1.470 110.250 108.800 -0.035 0.000 2.175 174 G HA2 -0.263 3.693 3.960 -0.006 0.000 0.244 174 G HA3 -0.263 3.693 3.960 -0.006 0.000 0.244 174 G C 0.621 175.545 174.900 0.040 0.000 0.982 174 G CA 0.478 45.602 45.100 0.039 0.000 0.641 174 G HN 0.426 nan 8.290 nan 0.000 0.527 175 T N -0.523 114.044 114.554 0.021 0.000 2.851 175 T HA 0.621 4.968 4.350 -0.006 0.000 0.298 175 T C 0.533 175.267 174.700 0.056 0.000 0.977 175 T CA -0.370 61.746 62.100 0.027 0.000 1.126 175 T CB 1.530 70.403 68.868 0.009 0.000 0.916 175 T HN 0.444 nan 8.240 nan 0.000 0.529 176 R N 2.139 122.672 120.500 0.055 0.000 2.490 176 R HA 0.550 4.886 4.340 -0.006 0.000 0.278 176 R C -0.378 175.971 176.300 0.082 0.000 1.069 176 R CA -0.581 55.565 56.100 0.075 0.000 1.080 176 R CB 0.710 31.043 30.300 0.054 0.000 1.030 176 R HN 0.625 nan 8.270 nan 0.000 0.491 177 L N 2.234 123.532 121.223 0.124 0.000 2.381 177 L HA 0.289 4.625 4.340 -0.006 0.000 0.268 177 L C 0.234 177.199 176.870 0.158 0.000 0.997 177 L CA -1.083 53.833 54.840 0.127 0.000 0.818 177 L CB 2.042 44.186 42.059 0.141 0.000 1.310 177 L HN 0.713 nan 8.230 nan 0.000 0.416 178 D N 1.417 121.889 120.400 0.120 0.000 2.371 178 D HA 0.010 4.646 4.640 -0.006 0.000 0.242 178 D C 1.035 177.456 176.300 0.202 0.000 1.218 178 D CA 0.018 54.090 54.000 0.120 0.000 0.945 178 D CB 1.469 42.316 40.800 0.077 0.000 1.137 178 D HN 0.613 nan 8.370 nan 0.000 0.464 179 G N 0.152 109.064 108.800 0.186 0.000 2.491 179 G HA2 -0.268 3.688 3.960 -0.006 0.000 0.218 179 G HA3 -0.268 3.688 3.960 -0.006 0.000 0.218 179 G C 1.605 176.645 174.900 0.233 0.000 1.180 179 G CA 1.879 47.145 45.100 0.278 0.000 0.774 179 G HN 0.682 nan 8.290 nan 0.000 0.562 180 A N 0.781 123.676 122.820 0.125 0.000 1.908 180 A HA -0.091 4.225 4.320 -0.006 0.000 0.218 180 A C 2.214 179.823 177.584 0.041 0.000 1.181 180 A CA 2.372 54.452 52.037 0.072 0.000 0.627 180 A CB -0.476 18.553 19.000 0.049 0.000 0.818 180 A HN 0.438 nan 8.150 nan 0.000 0.445 181 E N 0.026 120.256 120.200 0.049 0.000 2.106 181 E HA -0.013 4.333 4.350 -0.006 0.000 0.192 181 E C 1.939 178.510 176.600 -0.049 0.000 0.984 181 E CA 1.497 57.905 56.400 0.013 0.000 0.806 181 E CB -0.794 28.926 29.700 0.033 0.000 0.750 181 E HN 0.396 nan 8.360 nan 0.000 0.458 182 G N 0.840 109.611 108.800 -0.050 0.000 2.421 182 G HA2 -0.222 3.734 3.960 -0.006 0.000 0.216 182 G HA3 -0.222 3.734 3.960 -0.006 0.000 0.216 182 G C 1.597 176.140 174.900 -0.596 0.000 1.171 182 G CA 0.955 45.779 45.100 -0.459 0.000 0.775 182 G HN 0.308 nan 8.290 nan 0.000 0.543 183 L N -0.265 120.757 121.223 -0.336 0.000 2.046 183 L HA -0.055 4.282 4.340 -0.006 0.000 0.208 183 L C 2.957 179.739 176.870 -0.146 0.000 1.077 183 L CA 1.288 56.003 54.840 -0.208 0.000 0.747 183 L CB -0.428 41.605 42.059 -0.042 0.000 0.896 183 L HN 0.185 nan 8.230 nan 0.000 0.432 184 R N 0.470 120.909 120.500 -0.101 0.000 2.061 184 R HA -0.188 4.149 4.340 -0.006 0.000 0.230 184 R C 2.532 178.785 176.300 -0.079 0.000 1.140 184 R CA 1.685 57.744 56.100 -0.068 0.000 0.940 184 R CB -0.192 30.084 30.300 -0.039 0.000 0.839 184 R HN 0.182 nan 8.270 nan 0.000 0.429 185 R N -0.540 119.904 120.500 -0.093 0.000 2.091 185 R HA -0.094 4.242 4.340 -0.006 0.000 0.238 185 R C 1.940 178.184 176.300 -0.094 0.000 1.136 185 R CA 1.799 57.851 56.100 -0.081 0.000 0.959 185 R CB -0.474 29.783 30.300 -0.073 0.000 0.856 185 R HN 0.401 nan 8.270 nan 0.000 0.437 186 G N -0.376 108.330 108.800 -0.155 0.000 2.920 186 G HA2 -0.075 3.881 3.960 -0.006 0.000 0.208 186 G HA3 -0.075 3.881 3.960 -0.006 0.000 0.208 186 G C -0.136 174.703 174.900 -0.102 0.000 1.159 186 G CA -0.296 44.719 45.100 -0.142 0.000 0.784 186 G HN 0.247 nan 8.290 nan 0.000 0.535 187 R N -1.051 119.395 120.500 -0.091 0.000 3.336 187 R HA -0.135 4.201 4.340 -0.006 0.000 0.260 187 R C -0.377 175.888 176.300 -0.060 0.000 1.032 187 R CA 0.512 56.576 56.100 -0.061 0.000 0.693 187 R CB -2.622 27.653 30.300 -0.041 0.000 1.134 187 R HN 0.407 nan 8.270 nan 0.000 0.433 188 L N 0.545 121.719 121.223 -0.081 0.000 2.334 188 L HA 0.391 4.727 4.340 -0.006 0.000 0.270 188 L C 0.880 177.731 176.870 -0.032 0.000 1.018 188 L CA -0.927 53.878 54.840 -0.059 0.000 0.811 188 L CB 1.242 43.249 42.059 -0.087 0.000 1.271 188 L HN -0.075 nan 8.230 nan 0.000 0.443 189 Q N 2.131 121.924 119.800 -0.012 0.000 2.230 189 Q HA 0.404 4.740 4.340 -0.006 0.000 0.253 189 Q C -2.344 173.666 176.000 0.016 0.000 0.919 189 Q CA -1.944 53.858 55.803 -0.001 0.000 0.908 189 Q CB 1.516 30.252 28.738 -0.003 0.000 1.245 189 Q HN 0.295 nan 8.270 nan 0.000 0.437 190 P HA 0.021 nan 4.420 nan 0.000 0.271 190 P C -0.258 177.057 177.300 0.025 0.000 1.216 190 P CA -0.550 62.572 63.100 0.037 0.000 0.771 190 P CB 0.633 32.353 31.700 0.032 0.000 0.864 191 L N 3.183 124.425 121.223 0.031 0.000 2.513 191 L HA 0.101 4.437 4.340 -0.006 0.000 0.272 191 L C 0.066 176.935 176.870 -0.001 0.000 1.187 191 L CA 0.765 55.612 54.840 0.013 0.000 0.895 191 L CB -0.661 41.405 42.059 0.012 0.000 1.147 191 L HN 0.313 nan 8.230 nan 0.000 0.483 192 D N 5.094 125.487 120.400 -0.012 0.000 2.462 192 D HA 0.260 4.897 4.640 -0.006 0.000 0.249 192 D C -0.705 175.575 176.300 -0.034 0.000 1.117 192 D CA -0.287 53.700 54.000 -0.021 0.000 0.900 192 D CB 0.223 41.010 40.800 -0.023 0.000 1.039 192 D HN 0.502 nan 8.370 nan 0.000 0.516 193 L N 2.196 123.399 121.223 -0.034 0.000 2.416 193 L HA 0.307 4.644 4.340 -0.006 0.000 0.272 193 L C 0.690 177.530 176.870 -0.050 0.000 1.161 193 L CA -0.131 54.686 54.840 -0.039 0.000 0.845 193 L CB 1.031 43.069 42.059 -0.035 0.000 1.119 193 L HN 0.308 nan 8.230 nan 0.000 0.464 194 S N 1.354 117.011 115.700 -0.072 0.000 2.599 194 S HA 0.494 4.961 4.470 -0.006 0.000 0.287 194 S C 0.037 174.609 174.600 -0.047 0.000 1.105 194 S CA -0.385 57.733 58.200 -0.136 0.000 0.899 194 S CB 0.785 63.798 63.200 -0.312 0.000 1.100 194 S HN 0.945 nan 8.310 nan 0.000 0.482 195 H N 1.609 120.678 119.070 -0.003 0.000 1.452 195 H HA -0.286 4.266 4.556 -0.006 0.000 0.090 195 H C 1.058 176.403 175.328 0.029 0.000 1.026 195 H CA 1.751 57.800 56.048 0.002 0.000 1.901 195 H CB -0.629 29.119 29.762 -0.022 0.000 2.257 195 H HN 0.782 nan 8.280 nan 0.000 0.961 196 R N 1.895 122.520 120.500 0.208 0.000 2.466 196 R HA 0.076 4.413 4.340 -0.006 0.000 0.279 196 R C 0.171 176.546 176.300 0.125 0.000 0.976 196 R CA 0.571 56.772 56.100 0.167 0.000 1.081 196 R CB 0.385 30.819 30.300 0.224 0.000 1.215 196 R HN 0.309 nan 8.270 nan 0.000 0.546 197 D N 2.442 122.892 120.400 0.085 0.000 2.149 197 D HA -0.232 4.404 4.640 -0.006 0.000 0.194 197 D C 1.897 178.212 176.300 0.025 0.000 1.001 197 D CA 1.982 56.010 54.000 0.045 0.000 0.849 197 D CB -0.140 40.665 40.800 0.008 0.000 0.939 197 D HN 0.453 nan 8.370 nan 0.000 0.449 198 A N 0.806 123.633 122.820 0.012 0.000 1.849 198 A HA -0.204 4.112 4.320 -0.006 0.000 0.217 198 A C 2.206 179.767 177.584 -0.038 0.000 1.202 198 A CA 1.580 53.596 52.037 -0.034 0.000 0.629 198 A CB -1.001 17.971 19.000 -0.047 0.000 0.834 198 A HN 0.271 nan 8.150 nan 0.000 0.447 199 L N -0.447 120.785 121.223 0.016 0.000 2.083 199 L HA -0.050 4.286 4.340 -0.006 0.000 0.209 199 L C 2.703 179.603 176.870 0.049 0.000 1.083 199 L CA 2.111 56.971 54.840 0.033 0.000 0.752 199 L CB -0.778 41.375 42.059 0.157 0.000 0.899 199 L HN 0.388 nan 8.230 nan 0.000 0.433 200 A N -0.740 122.124 122.820 0.074 0.000 1.902 200 A HA -0.157 4.160 4.320 -0.006 0.000 0.217 200 A C 2.199 179.802 177.584 0.031 0.000 1.181 200 A CA 1.882 53.963 52.037 0.073 0.000 0.623 200 A CB -0.812 18.247 19.000 0.098 0.000 0.818 200 A HN 0.479 nan 8.150 nan 0.000 0.443 201 L N -1.034 120.192 121.223 0.006 0.000 2.478 201 L HA -0.017 4.320 4.340 -0.006 0.000 0.223 201 L C 1.876 178.725 176.870 -0.035 0.000 1.140 201 L CA 0.291 55.121 54.840 -0.016 0.000 0.842 201 L CB 0.080 42.121 42.059 -0.029 0.000 0.953 201 L HN 0.251 nan 8.230 nan 0.000 0.452 202 V N -1.600 118.286 119.914 -0.046 0.000 3.455 202 V HA 0.080 4.197 4.120 -0.006 0.000 0.250 202 V C 0.752 176.812 176.094 -0.056 0.000 1.230 202 V CA 0.317 62.571 62.300 -0.076 0.000 1.105 202 V CB 0.245 31.979 31.823 -0.148 0.000 0.850 202 V HN 0.297 nan 8.190 nan 0.000 0.461 203 N N 1.377 120.067 118.700 -0.016 0.000 3.250 203 N HA 0.395 5.131 4.740 -0.006 0.000 0.307 203 N C 0.036 175.594 175.510 0.079 0.000 1.355 203 N CA 0.473 53.529 53.050 0.009 0.000 1.192 203 N CB 0.171 38.688 38.487 0.051 0.000 1.478 203 N HN 0.479 nan 8.380 nan 0.000 0.543 204 G N -1.698 107.139 108.800 0.062 0.000 2.870 204 G HA2 0.270 4.226 3.960 -0.006 0.000 0.299 204 G HA3 0.270 4.226 3.960 -0.006 0.000 0.299 204 G C 0.015 174.959 174.900 0.072 0.000 1.324 204 G CA -0.465 44.687 45.100 0.086 0.000 0.808 204 G HN 0.165 nan 8.290 nan 0.000 0.535 205 T N -2.129 112.456 114.554 0.053 0.000 3.214 205 T HA 0.259 4.605 4.350 -0.006 0.000 0.264 205 T C 1.657 176.363 174.700 0.010 0.000 1.012 205 T CA 0.745 62.868 62.100 0.037 0.000 0.901 205 T CB 0.372 69.258 68.868 0.030 0.000 1.070 205 T HN 0.225 nan 8.240 nan 0.000 0.561 206 S N 1.752 117.454 115.700 0.003 0.000 2.383 206 S HA -0.056 4.410 4.470 -0.006 0.000 0.229 206 S C 2.477 177.068 174.600 -0.014 0.000 1.030 206 S CA 1.228 59.421 58.200 -0.012 0.000 1.002 206 S CB -0.593 62.596 63.200 -0.018 0.000 0.829 206 S HN 0.823 nan 8.310 nan 0.000 0.467 207 A N 2.558 125.374 122.820 -0.008 0.000 1.873 207 A HA -0.095 4.222 4.320 -0.006 0.000 0.215 207 A C 2.259 179.845 177.584 0.002 0.000 1.186 207 A CA 1.751 53.783 52.037 -0.007 0.000 0.616 207 A CB -0.769 18.229 19.000 -0.004 0.000 0.823 207 A HN 0.674 nan 8.150 nan 0.000 0.442 208 M N -1.555 118.051 119.600 0.010 0.000 2.229 208 M HA -0.070 4.406 4.480 -0.006 0.000 0.264 208 M C 1.761 178.067 176.300 0.010 0.000 1.063 208 M CA 2.232 57.542 55.300 0.017 0.000 1.114 208 M CB -1.231 31.382 32.600 0.021 0.000 1.387 208 M HN 0.149 nan 8.290 nan 0.000 0.420 209 T N 1.209 115.760 114.554 -0.005 0.000 2.777 209 T HA 0.006 4.352 4.350 -0.006 0.000 0.266 209 T C 1.978 176.675 174.700 -0.006 0.000 1.040 209 T CA 1.646 63.735 62.100 -0.018 0.000 1.141 209 T CB -0.746 68.103 68.868 -0.031 0.000 0.868 209 T HN 0.716 nan 8.240 nan 0.000 0.444 210 G N 1.314 110.109 108.800 -0.009 0.000 2.418 210 G HA2 -0.122 3.834 3.960 -0.006 0.000 0.217 210 G HA3 -0.122 3.834 3.960 -0.006 0.000 0.217 210 G C 1.526 176.437 174.900 0.018 0.000 1.158 210 G CA 0.486 45.579 45.100 -0.011 0.000 0.771 210 G HN 0.483 nan 8.290 nan 0.000 0.545 211 I N 1.408 121.995 120.570 0.028 0.000 2.179 211 I HA -0.158 4.009 4.170 -0.006 0.000 0.242 211 I C 3.292 179.462 176.117 0.088 0.000 1.088 211 I CA 1.021 62.353 61.300 0.053 0.000 1.357 211 I CB -0.245 37.784 38.000 0.049 0.000 1.051 211 I HN 0.233 nan 8.210 nan 0.000 0.409 212 A N 1.327 124.202 122.820 0.092 0.000 1.933 212 A HA -0.187 4.129 4.320 -0.006 0.000 0.218 212 A C 2.252 179.949 177.584 0.189 0.000 1.175 212 A CA 1.897 54.030 52.037 0.160 0.000 0.628 212 A CB -0.846 18.213 19.000 0.098 0.000 0.814 212 A HN 0.531 nan 8.150 nan 0.000 0.444 213 L N -2.130 119.165 121.223 0.119 0.000 2.217 213 L HA 0.037 4.374 4.340 -0.006 0.000 0.211 213 L C 1.928 178.913 176.870 0.191 0.000 1.107 213 L CA 1.500 56.420 54.840 0.134 0.000 0.783 213 L CB -0.943 41.160 42.059 0.073 0.000 0.919 213 L HN -0.002 nan 8.230 nan 0.000 0.442 214 V N 0.780 120.802 119.914 0.180 0.000 2.453 214 V HA -0.139 3.977 4.120 -0.006 0.000 0.247 214 V C 2.416 178.637 176.094 0.213 0.000 1.048 214 V CA 1.602 64.047 62.300 0.241 0.000 1.049 214 V CB -0.910 31.015 31.823 0.170 0.000 0.672 214 V HN 0.498 nan 8.190 nan 0.000 0.457 215 N N 0.905 119.702 118.700 0.162 0.000 2.120 215 N HA -0.110 4.626 4.740 -0.006 0.000 0.188 215 N C 1.931 177.492 175.510 0.085 0.000 1.024 215 N CA 1.670 54.791 53.050 0.118 0.000 0.852 215 N CB -0.557 37.982 38.487 0.088 0.000 1.003 215 N HN 0.465 nan 8.380 nan 0.000 0.424 216 A N 0.435 123.326 122.820 0.118 0.000 1.883 216 A HA -0.229 4.088 4.320 -0.006 0.000 0.217 216 A C 2.131 179.742 177.584 0.045 0.000 1.186 216 A CA 1.973 54.059 52.037 0.082 0.000 0.624 216 A CB -1.026 18.087 19.000 0.189 0.000 0.822 216 A HN 0.468 nan 8.150 nan 0.000 0.444 217 H N -0.229 118.820 119.070 -0.036 0.000 2.321 217 H HA 0.030 4.582 4.556 -0.007 0.000 0.300 217 H C 2.231 177.490 175.328 -0.115 0.000 1.087 217 H CA 2.092 58.037 56.048 -0.171 0.000 1.319 217 H CB -0.290 29.251 29.762 -0.369 0.000 1.379 217 H HN 0.396 nan 8.280 nan 0.000 0.501 218 A N -0.288 122.578 122.820 0.075 0.000 1.908 218 A HA -0.204 4.112 4.320 -0.006 0.000 0.218 218 A C 2.738 180.328 177.584 0.010 0.000 1.181 218 A CA 1.580 53.663 52.037 0.076 0.000 0.627 218 A CB -1.267 17.810 19.000 0.129 0.000 0.818 218 A HN 0.659 nan 8.150 nan 0.000 0.445 219 C N -1.374 117.947 119.300 0.035 0.000 2.425 219 C HA -0.038 4.418 4.460 -0.006 0.000 0.277 219 C C 2.793 177.785 174.990 0.003 0.000 1.280 219 C CA 1.135 60.218 59.018 0.110 0.000 1.744 219 C CB -1.313 26.514 27.740 0.144 0.000 1.989 219 C HN 0.745 nan 8.230 nan 0.000 0.491 220 R N -0.037 120.367 120.500 -0.161 0.000 2.083 220 R HA -0.150 4.187 4.340 -0.006 0.000 0.237 220 R C 2.259 178.377 176.300 -0.303 0.000 1.137 220 R CA 1.684 57.608 56.100 -0.293 0.000 0.951 220 R CB -0.463 29.563 30.300 -0.456 0.000 0.851 220 R HN 0.606 nan 8.270 nan 0.000 0.434 221 H N 0.548 119.492 119.070 -0.209 0.000 2.321 221 H HA -0.097 4.455 4.556 -0.006 0.000 0.300 221 H C 2.192 177.510 175.328 -0.016 0.000 1.087 221 H CA 1.727 57.697 56.048 -0.130 0.000 1.319 221 H CB -0.242 29.447 29.762 -0.121 0.000 1.379 221 H HN 0.255 nan 8.280 nan 0.000 0.501 222 L N -0.223 120.977 121.223 -0.038 0.000 2.131 222 L HA -0.082 4.254 4.340 -0.006 0.000 0.210 222 L C 2.773 179.488 176.870 -0.258 0.000 1.092 222 L CA 1.008 55.630 54.840 -0.363 0.000 0.759 222 L CB -0.771 40.660 42.059 -1.046 0.000 0.903 222 L HN 0.290 nan 8.230 nan 0.000 0.435 223 G N 0.018 108.813 108.800 -0.008 0.000 2.418 223 G HA2 -0.253 3.704 3.960 -0.006 0.000 0.217 223 G HA3 -0.253 3.704 3.960 -0.006 0.000 0.217 223 G C 1.403 176.399 174.900 0.159 0.000 1.158 223 G CA 0.562 45.837 45.100 0.292 0.000 0.771 223 G HN 0.311 nan 8.290 nan 0.000 0.545 224 N N 0.085 118.769 118.700 -0.026 0.000 2.188 224 N HA -0.086 4.650 4.740 -0.006 0.000 0.184 224 N C 1.836 177.268 175.510 -0.129 0.000 1.018 224 N CA 0.848 53.825 53.050 -0.121 0.000 0.858 224 N CB -0.332 38.020 38.487 -0.226 0.000 0.989 224 N HN 0.585 nan 8.380 nan 0.000 0.426 225 W N 1.534 122.789 121.300 -0.075 0.000 2.436 225 W HA 0.089 4.745 4.660 -0.007 0.000 0.284 225 W C 2.459 178.953 176.519 -0.042 0.000 1.225 225 W CA 1.000 58.297 57.345 -0.081 0.000 1.271 225 W CB -0.320 29.047 29.460 -0.156 0.000 1.114 225 W HN 0.029 nan 8.180 nan 0.000 0.559 226 A N -0.221 122.723 122.820 0.208 0.000 1.933 226 A HA -0.159 4.157 4.320 -0.006 0.000 0.218 226 A C 1.981 179.657 177.584 0.153 0.000 1.175 226 A CA 2.039 54.211 52.037 0.226 0.000 0.628 226 A CB -1.038 18.191 19.000 0.383 0.000 0.814 226 A HN 0.090 nan 8.150 nan 0.000 0.444 227 V N -0.318 119.672 119.914 0.127 0.000 2.323 227 V HA -0.187 3.930 4.120 -0.006 0.000 0.244 227 V C 3.055 179.138 176.094 -0.018 0.000 1.041 227 V CA 1.816 64.134 62.300 0.029 0.000 1.025 227 V CB -1.151 30.694 31.823 0.037 0.000 0.656 227 V HN 0.600 nan 8.190 nan 0.000 0.451 228 A N -0.263 122.540 122.820 -0.027 0.000 1.933 228 A HA -0.140 4.177 4.320 -0.006 0.000 0.218 228 A C 2.182 179.793 177.584 0.045 0.000 1.175 228 A CA 1.724 53.735 52.037 -0.043 0.000 0.628 228 A CB -0.482 18.413 19.000 -0.175 0.000 0.814 228 A HN 0.519 nan 8.150 nan 0.000 0.444 229 L N -1.166 120.121 121.223 0.108 0.000 2.179 229 L HA -0.086 4.251 4.340 -0.006 0.000 0.208 229 L C 2.637 179.571 176.870 0.108 0.000 1.096 229 L CA 1.467 56.385 54.840 0.129 0.000 0.779 229 L CB -0.838 41.317 42.059 0.159 0.000 0.922 229 L HN 0.298 nan 8.230 nan 0.000 0.443 230 T N 0.178 114.787 114.554 0.092 0.000 2.821 230 T HA -0.122 4.224 4.350 -0.006 0.000 0.267 230 T C 2.040 176.851 174.700 0.184 0.000 1.046 230 T CA 1.287 63.453 62.100 0.109 0.000 1.139 230 T CB -0.109 68.775 68.868 0.027 0.000 0.871 230 T HN 0.424 nan 8.240 nan 0.000 0.454 231 A N 1.210 124.103 122.820 0.122 0.000 1.898 231 A HA 0.041 4.357 4.320 -0.006 0.000 0.216 231 A C 2.195 179.901 177.584 0.203 0.000 1.181 231 A CA 1.047 53.221 52.037 0.228 0.000 0.620 231 A CB -0.729 18.337 19.000 0.110 0.000 0.819 231 A HN 0.391 nan 8.150 nan 0.000 0.442 232 L N -0.702 120.598 121.223 0.128 0.000 2.093 232 L HA -0.070 4.266 4.340 -0.006 0.000 0.208 232 L C 2.198 179.126 176.870 0.097 0.000 1.085 232 L CA 1.731 56.630 54.840 0.099 0.000 0.755 232 L CB -0.668 41.440 42.059 0.082 0.000 0.904 232 L HN 0.370 nan 8.230 nan 0.000 0.435 233 L N -0.059 121.231 121.223 0.113 0.000 2.042 233 L HA -0.133 4.204 4.340 -0.006 0.000 0.210 233 L C 2.499 179.429 176.870 0.099 0.000 1.076 233 L CA 2.122 57.019 54.840 0.096 0.000 0.749 233 L CB -1.052 41.074 42.059 0.111 0.000 0.893 233 L HN 0.266 nan 8.230 nan 0.000 0.432 234 A N -0.881 122.032 122.820 0.155 0.000 1.933 234 A HA -0.216 4.100 4.320 -0.006 0.000 0.218 234 A C 2.127 179.737 177.584 0.043 0.000 1.175 234 A CA 1.824 53.917 52.037 0.093 0.000 0.628 234 A CB -0.610 18.462 19.000 0.121 0.000 0.814 234 A HN 0.655 nan 8.150 nan 0.000 0.444 235 E N -1.171 119.069 120.200 0.066 0.000 2.274 235 E HA -0.107 4.240 4.350 -0.006 0.000 0.194 235 E C 1.647 178.263 176.600 0.027 0.000 0.996 235 E CA 0.893 57.318 56.400 0.041 0.000 0.840 235 E CB -0.225 29.507 29.700 0.052 0.000 0.772 235 E HN 0.681 nan 8.360 nan 0.000 0.491 236 C N 0.072 119.389 119.300 0.029 0.000 2.590 236 C HA 0.152 4.609 4.460 -0.006 0.000 0.272 236 C C 1.755 176.748 174.990 0.006 0.000 1.338 236 C CA 0.043 59.070 59.018 0.015 0.000 1.746 236 C CB -0.194 27.554 27.740 0.013 0.000 2.020 236 C HN 0.314 nan 8.230 nan 0.000 0.531 237 L N -0.030 121.197 121.223 0.007 0.000 3.066 237 L HA 0.290 4.627 4.340 -0.006 0.000 0.265 237 L C 0.329 177.191 176.870 -0.014 0.000 1.232 237 L CA -0.061 54.777 54.840 -0.003 0.000 1.031 237 L CB -0.287 41.774 42.059 0.004 0.000 1.379 237 L HN 0.230 nan 8.230 nan 0.000 0.563 238 R N 0.693 121.183 120.500 -0.016 0.000 3.333 238 R HA -0.149 4.188 4.340 -0.006 0.000 0.256 238 R C 0.657 176.924 176.300 -0.054 0.000 1.010 238 R CA 0.448 56.532 56.100 -0.028 0.000 0.680 238 R CB -1.863 28.424 30.300 -0.022 0.000 1.102 238 R HN 0.511 nan 8.270 nan 0.000 0.440 239 G N 0.695 109.450 108.800 -0.074 0.000 2.491 239 G HA2 0.198 4.155 3.960 -0.006 0.000 0.242 239 G HA3 0.198 4.155 3.960 -0.006 0.000 0.242 239 G C 0.063 174.823 174.900 -0.234 0.000 1.266 239 G CA -0.555 44.456 45.100 -0.148 0.000 0.844 239 G HN 0.239 nan 8.290 nan 0.000 0.571 240 R N 0.743 121.072 120.500 -0.284 0.000 2.221 240 R HA 0.230 4.566 4.340 -0.006 0.000 0.327 240 R C 1.549 177.539 176.300 -0.516 0.000 1.033 240 R CA 0.181 56.106 56.100 -0.291 0.000 0.887 240 R CB 0.888 31.075 30.300 -0.188 0.000 1.057 240 R HN 0.702 nan 8.270 nan 0.000 0.455 241 T N -1.217 113.085 114.554 -0.420 0.000 3.085 241 T HA -0.123 4.223 4.350 -0.006 0.000 0.263 241 T C 1.390 175.938 174.700 -0.254 0.000 1.127 241 T CA 0.819 62.651 62.100 -0.448 0.000 1.103 241 T CB -0.030 68.728 68.868 -0.183 0.000 0.921 241 T HN 0.743 nan 8.240 nan 0.000 0.510 242 E N 1.599 121.689 120.200 -0.183 0.000 2.338 242 E HA 0.022 4.368 4.350 -0.006 0.000 0.197 242 E C 2.150 178.717 176.600 -0.054 0.000 1.007 242 E CA 0.824 57.175 56.400 -0.081 0.000 0.849 242 E CB -0.489 29.178 29.700 -0.054 0.000 0.774 242 E HN 0.616 nan 8.360 nan 0.000 0.506 243 A N 0.750 123.487 122.820 -0.139 0.000 2.119 243 A HA -0.058 4.259 4.320 -0.006 0.000 0.217 243 A C 0.940 178.661 177.584 0.228 0.000 1.153 243 A CA 0.474 52.501 52.037 -0.016 0.000 0.692 243 A CB -0.538 18.417 19.000 -0.076 0.000 0.799 243 A HN 0.476 nan 8.150 nan 0.000 0.458 244 W N -0.184 121.119 121.300 0.004 0.000 3.239 244 W HA 0.602 5.259 4.660 -0.005 0.000 0.368 244 W C 0.794 177.317 176.519 0.006 0.000 1.154 244 W CA -1.100 56.248 57.345 0.006 0.000 1.860 244 W CB -1.340 28.127 29.460 0.011 0.000 1.094 244 W HN 0.339 nan 8.180 nan 0.000 0.643 245 A N 0.852 123.783 122.820 0.185 0.000 2.498 245 A HA 0.436 4.752 4.320 -0.006 0.000 0.239 245 A C 1.686 179.324 177.584 0.090 0.000 1.068 245 A CA 0.684 52.786 52.037 0.108 0.000 0.766 245 A CB 0.587 19.623 19.000 0.060 0.000 1.003 245 A HN 0.254 nan 8.150 nan 0.000 0.497 246 A N 2.441 125.301 122.820 0.068 0.000 1.978 246 A HA 0.111 4.427 4.320 -0.006 0.000 0.220 246 A C 2.346 179.952 177.584 0.037 0.000 1.170 246 A CA 2.253 54.320 52.037 0.050 0.000 0.636 246 A CB -0.927 18.095 19.000 0.037 0.000 0.810 246 A HN 1.746 nan 8.150 nan 0.000 0.448 247 A N -0.258 122.582 122.820 0.033 0.000 1.940 247 A HA -0.077 4.239 4.320 -0.006 0.000 0.219 247 A C 2.140 179.737 177.584 0.023 0.000 1.176 247 A CA 1.532 53.583 52.037 0.022 0.000 0.631 247 A CB -0.534 18.477 19.000 0.018 0.000 0.814 247 A HN 0.497 nan 8.150 nan 0.000 0.446 248 L N -0.551 120.692 121.223 0.034 0.000 2.056 248 L HA -0.142 4.194 4.340 -0.006 0.000 0.207 248 L C 2.853 179.740 176.870 0.029 0.000 1.078 248 L CA 1.358 56.217 54.840 0.033 0.000 0.749 248 L CB -0.430 41.659 42.059 0.049 0.000 0.901 248 L HN 0.343 nan 8.230 nan 0.000 0.433 249 S N -0.178 115.543 115.700 0.036 0.000 2.359 249 S HA -0.196 4.270 4.470 -0.006 0.000 0.224 249 S C 1.505 176.112 174.600 0.011 0.000 1.035 249 S CA 1.471 59.689 58.200 0.030 0.000 1.018 249 S CB -0.357 62.864 63.200 0.036 0.000 0.876 249 S HN 0.449 nan 8.310 nan 0.000 0.448 250 D N 1.515 121.920 120.400 0.008 0.000 2.182 250 D HA -0.042 4.594 4.640 -0.006 0.000 0.201 250 D C 1.736 178.026 176.300 -0.016 0.000 0.986 250 D CA 0.737 54.734 54.000 -0.004 0.000 0.847 250 D CB -0.326 40.474 40.800 0.000 0.000 0.942 250 D HN 0.337 nan 8.370 nan 0.000 0.467 251 L N -0.593 120.623 121.223 -0.011 0.000 2.291 251 L HA 0.014 4.351 4.340 -0.006 0.000 0.214 251 L C 1.514 178.362 176.870 -0.037 0.000 1.120 251 L CA 0.506 55.334 54.840 -0.019 0.000 0.799 251 L CB 0.140 42.194 42.059 -0.008 0.000 0.925 251 L HN -0.170 nan 8.230 nan 0.000 0.446 252 R N 0.687 121.163 120.500 -0.040 0.000 2.644 252 R HA 0.189 4.526 4.340 -0.006 0.000 0.271 252 R C -2.172 174.063 176.300 -0.108 0.000 1.687 252 R CA -1.329 54.723 56.100 -0.079 0.000 1.655 252 R CB 0.921 31.214 30.300 -0.011 0.000 1.285 252 R HN -0.154 nan 8.270 nan 0.000 0.643 253 P HA -0.091 nan 4.420 nan 0.000 0.311 253 P C -0.626 176.605 177.300 -0.115 0.000 1.543 253 P CA 0.250 63.285 63.100 -0.108 0.000 0.766 253 P CB -0.307 31.340 31.700 -0.088 0.000 1.711 254 H N 0.794 119.865 119.070 0.001 0.000 2.848 254 H HA 0.070 4.623 4.556 -0.006 0.000 0.317 254 H C -1.288 174.053 175.328 0.020 0.000 1.046 254 H CA -1.350 54.701 56.048 0.005 0.000 1.470 254 H CB 0.380 30.140 29.762 -0.003 0.000 1.483 254 H HN 0.080 nan 8.280 nan 0.000 0.548 255 P HA -0.161 nan 4.420 nan 0.000 0.215 255 P C 1.649 179.023 177.300 0.123 0.000 1.157 255 P CA 1.750 64.912 63.100 0.103 0.000 0.874 255 P CB 0.092 31.846 31.700 0.091 0.000 0.790 256 G N -0.455 108.437 108.800 0.153 0.000 2.422 256 G HA2 -0.309 3.647 3.960 -0.006 0.000 0.218 256 G HA3 -0.309 3.647 3.960 -0.006 0.000 0.218 256 G C 1.679 176.681 174.900 0.169 0.000 1.146 256 G CA 0.759 45.981 45.100 0.204 0.000 0.769 256 G HN 0.321 nan 8.290 nan 0.000 0.547 257 Q N 0.124 119.989 119.800 0.109 0.000 2.046 257 Q HA -0.094 4.242 4.340 -0.006 0.000 0.200 257 Q C 2.480 178.517 176.000 0.062 0.000 0.975 257 Q CA 1.642 57.481 55.803 0.061 0.000 0.836 257 Q CB -0.209 28.580 28.738 0.085 0.000 0.896 257 Q HN 0.516 nan 8.270 nan 0.000 0.428 258 K N 0.099 120.543 120.400 0.074 0.000 2.063 258 K HA -0.234 4.082 4.320 -0.006 0.000 0.208 258 K C 1.655 178.287 176.600 0.052 0.000 1.048 258 K CA 1.892 58.212 56.287 0.054 0.000 0.928 258 K CB -0.167 32.361 32.500 0.046 0.000 0.713 258 K HN 0.200 nan 8.250 nan 0.000 0.442 259 D N -0.137 120.310 120.400 0.078 0.000 2.097 259 D HA -0.094 4.543 4.640 -0.006 0.000 0.197 259 D C 1.726 178.082 176.300 0.094 0.000 0.984 259 D CA 1.513 55.557 54.000 0.074 0.000 0.826 259 D CB -0.073 40.776 40.800 0.082 0.000 0.973 259 D HN 0.322 nan 8.370 nan 0.000 0.460 260 A N 0.613 123.532 122.820 0.166 0.000 1.883 260 A HA -0.019 4.298 4.320 -0.006 0.000 0.217 260 A C 2.400 179.947 177.584 -0.062 0.000 1.186 260 A CA 2.481 54.596 52.037 0.130 0.000 0.624 260 A CB -1.210 17.795 19.000 0.008 0.000 0.822 260 A HN 0.326 nan 8.150 nan 0.000 0.444 261 A N -0.255 122.524 122.820 -0.068 0.000 1.902 261 A HA 0.146 4.463 4.320 -0.006 0.000 0.217 261 A C 2.513 180.074 177.584 -0.039 0.000 1.181 261 A CA 2.200 54.181 52.037 -0.093 0.000 0.623 261 A CB -1.033 17.970 19.000 0.006 0.000 0.818 261 A HN 1.101 nan 8.150 nan 0.000 0.443 262 A N -0.242 122.576 122.820 -0.004 0.000 1.902 262 A HA -0.154 4.163 4.320 -0.006 0.000 0.217 262 A C 2.234 179.810 177.584 -0.012 0.000 1.181 262 A CA 1.607 53.648 52.037 0.007 0.000 0.623 262 A CB -0.413 18.593 19.000 0.010 0.000 0.818 262 A HN 0.550 nan 8.150 nan 0.000 0.443 263 R N -0.638 119.842 120.500 -0.033 0.000 2.115 263 R HA 0.085 4.421 4.340 -0.006 0.000 0.226 263 R C 1.988 178.239 176.300 -0.081 0.000 1.100 263 R CA 1.094 57.164 56.100 -0.050 0.000 0.980 263 R CB -0.402 29.872 30.300 -0.044 0.000 0.875 263 R HN 0.487 nan 8.270 nan 0.000 0.445 264 L N 0.212 121.335 121.223 -0.166 0.000 2.056 264 L HA -0.149 4.188 4.340 -0.006 0.000 0.207 264 L C 2.484 179.342 176.870 -0.021 0.000 1.078 264 L CA 1.392 56.048 54.840 -0.307 0.000 0.749 264 L CB -0.288 41.218 42.059 -0.921 0.000 0.901 264 L HN 0.150 nan 8.230 nan 0.000 0.433 265 R N -0.201 120.344 120.500 0.075 0.000 2.096 265 R HA -0.120 4.216 4.340 -0.006 0.000 0.235 265 R C 2.395 178.754 176.300 0.099 0.000 1.127 265 R CA 1.258 57.462 56.100 0.174 0.000 0.968 265 R CB -0.471 29.913 30.300 0.139 0.000 0.861 265 R HN 0.343 nan 8.270 nan 0.000 0.440 266 A N 1.389 124.235 122.820 0.043 0.000 1.902 266 A HA -0.141 4.176 4.320 -0.006 0.000 0.217 266 A C 2.040 179.637 177.584 0.022 0.000 1.181 266 A CA 1.061 53.111 52.037 0.022 0.000 0.623 266 A CB -0.247 18.750 19.000 -0.005 0.000 0.818 266 A HN 0.098 nan 8.150 nan 0.000 0.443 267 R N -0.167 120.344 120.500 0.018 0.000 2.096 267 R HA -0.110 4.226 4.340 -0.006 0.000 0.235 267 R C 1.860 178.196 176.300 0.060 0.000 1.127 267 R CA 1.736 57.847 56.100 0.019 0.000 0.968 267 R CB -1.273 29.028 30.300 0.001 0.000 0.861 267 R HN 0.661 nan 8.270 nan 0.000 0.440 268 V N -0.901 119.081 119.914 0.112 0.000 3.596 268 V HA 0.116 4.232 4.120 -0.006 0.000 0.289 268 V C 0.187 176.327 176.094 0.077 0.000 1.336 268 V CA -0.630 61.741 62.300 0.118 0.000 1.137 268 V CB -0.562 31.375 31.823 0.190 0.000 0.966 268 V HN -0.089 nan 8.190 nan 0.000 0.428 269 D N 1.451 121.887 120.400 0.060 0.000 2.458 269 D HA 0.415 5.051 4.640 -0.006 0.000 0.243 269 D C 1.458 177.775 176.300 0.027 0.000 1.146 269 D CA 1.948 55.971 54.000 0.039 0.000 0.877 269 D CB 0.548 41.365 40.800 0.029 0.000 1.176 269 D HN 0.539 nan 8.370 nan 0.000 0.461 270 G N 2.417 111.229 108.800 0.020 0.000 2.195 270 G HA2 -0.272 3.685 3.960 -0.006 0.000 0.246 270 G HA3 -0.272 3.685 3.960 -0.006 0.000 0.246 270 G C 0.495 175.404 174.900 0.016 0.000 0.984 270 G CA 0.328 45.437 45.100 0.015 0.000 0.633 270 G HN 0.809 nan 8.290 nan 0.000 0.525 271 S N 0.228 115.942 115.700 0.022 0.000 2.564 271 S HA 0.641 5.107 4.470 -0.006 0.000 0.278 271 S C 1.261 175.869 174.600 0.012 0.000 1.333 271 S CA 0.832 59.045 58.200 0.022 0.000 1.048 271 S CB 1.310 64.530 63.200 0.033 0.000 0.900 271 S HN 1.650 nan 8.310 nan 0.000 0.505 272 A N 5.044 127.871 122.820 0.012 0.000 2.508 272 A HA 0.341 4.657 4.320 -0.006 0.000 0.257 272 A C 1.723 179.313 177.584 0.009 0.000 1.226 272 A CA -0.385 51.657 52.037 0.009 0.000 0.947 272 A CB 0.110 19.116 19.000 0.011 0.000 1.079 272 A HN 0.729 nan 8.150 nan 0.000 0.531 273 R N -0.094 120.412 120.500 0.010 0.000 2.265 273 R HA 0.106 4.442 4.340 -0.006 0.000 0.194 273 R C 0.790 177.088 176.300 -0.003 0.000 0.931 273 R CA 0.949 57.053 56.100 0.007 0.000 1.032 273 R CB -0.375 29.933 30.300 0.013 0.000 0.980 273 R HN 0.497 nan 8.270 nan 0.000 0.497 274 V N -1.270 118.638 119.914 -0.011 0.000 2.997 274 V HA 0.442 4.559 4.120 -0.006 0.000 0.311 274 V C 0.521 176.592 176.094 -0.038 0.000 1.066 274 V CA -0.941 61.334 62.300 -0.041 0.000 1.039 274 V CB 1.909 33.694 31.823 -0.063 0.000 1.081 274 V HN -0.263 nan 8.190 nan 0.000 0.467 275 V N 3.644 123.523 119.914 -0.058 0.000 2.407 275 V HA 0.460 4.576 4.120 -0.006 0.000 0.278 275 V C 0.997 177.062 176.094 -0.050 0.000 1.037 275 V CA -0.260 62.029 62.300 -0.018 0.000 0.900 275 V CB 0.834 32.648 31.823 -0.015 0.000 0.983 275 V HN 0.940 nan 8.190 nan 0.000 0.459 276 R N 1.470 121.944 120.500 -0.043 0.000 2.397 276 R HA 0.211 4.547 4.340 -0.006 0.000 0.241 276 R C -0.214 175.994 176.300 -0.152 0.000 0.914 276 R CA -0.225 55.804 56.100 -0.118 0.000 1.071 276 R CB 0.262 30.470 30.300 -0.154 0.000 1.116 276 R HN 0.733 nan 8.270 nan 0.000 0.524 277 H N 0.247 119.291 119.070 -0.042 0.000 2.767 277 H HA 0.093 4.645 4.556 -0.006 0.000 0.316 277 H C -0.177 175.130 175.328 -0.036 0.000 1.059 277 H CA -0.050 55.978 56.048 -0.033 0.000 1.461 277 H CB 0.987 30.732 29.762 -0.028 0.000 1.475 277 H HN -0.201 nan 8.280 nan 0.000 0.531 278 V N 6.057 126.010 119.914 0.066 0.000 2.508 278 V HA -0.069 4.048 4.120 -0.006 0.000 0.281 278 V C 1.851 177.977 176.094 0.052 0.000 1.041 278 V CA 0.253 62.573 62.300 0.034 0.000 1.016 278 V CB 0.047 31.879 31.823 0.016 0.000 0.984 278 V HN 0.811 nan 8.190 nan 0.000 0.478 279 I N 3.281 123.868 120.570 0.029 0.000 2.394 279 I HA -0.062 4.105 4.170 -0.006 0.000 0.251 279 I C 2.128 178.253 176.117 0.013 0.000 1.136 279 I CA 1.746 63.057 61.300 0.019 0.000 1.425 279 I CB -0.365 37.638 38.000 0.004 0.000 1.079 279 I HN 0.578 nan 8.210 nan 0.000 0.425 280 A N 1.171 123.998 122.820 0.013 0.000 2.178 280 A HA -0.134 4.182 4.320 -0.006 0.000 0.218 280 A C 2.161 179.752 177.584 0.012 0.000 1.157 280 A CA 1.332 53.375 52.037 0.010 0.000 0.689 280 A CB -0.547 18.458 19.000 0.009 0.000 0.787 280 A HN 0.541 nan 8.150 nan 0.000 0.465 281 E N -0.051 120.161 120.200 0.020 0.000 2.152 281 E HA -0.106 4.240 4.350 -0.006 0.000 0.192 281 E C 1.196 177.806 176.600 0.016 0.000 0.983 281 E CA 0.179 56.593 56.400 0.023 0.000 0.818 281 E CB -0.239 29.486 29.700 0.042 0.000 0.758 281 E HN 0.654 nan 8.360 nan 0.000 0.467 282 R N 1.969 122.475 120.500 0.009 0.000 2.449 282 R HA 0.033 4.370 4.340 -0.006 0.000 0.296 282 R C -0.332 175.965 176.300 -0.004 0.000 1.047 282 R CA 0.101 56.199 56.100 -0.004 0.000 1.018 282 R CB 0.376 30.666 30.300 -0.017 0.000 0.962 282 R HN -0.109 nan 8.270 nan 0.000 0.428 283 R N 5.229 125.725 120.500 -0.005 0.000 2.312 283 R HA 0.301 4.637 4.340 -0.006 0.000 0.311 283 R C -0.380 175.915 176.300 -0.008 0.000 1.004 283 R CA -0.618 55.480 56.100 -0.004 0.000 0.902 283 R CB 1.147 31.446 30.300 -0.003 0.000 1.073 283 R HN 0.488 nan 8.270 nan 0.000 0.457 284 L N 2.355 123.573 121.223 -0.007 0.000 2.399 284 L HA 0.401 4.738 4.340 -0.006 0.000 0.265 284 L C 0.055 176.921 176.870 -0.007 0.000 1.089 284 L CA -0.613 54.222 54.840 -0.009 0.000 0.802 284 L CB 1.062 43.116 42.059 -0.008 0.000 1.180 284 L HN 0.700 nan 8.230 nan 0.000 0.454 285 D N 0.264 120.659 120.400 -0.008 0.000 2.592 285 D HA 0.413 5.049 4.640 -0.006 0.000 0.263 285 D C 0.442 176.738 176.300 -0.007 0.000 1.132 285 D CA -0.290 53.706 54.000 -0.007 0.000 0.996 285 D CB 1.322 42.118 40.800 -0.007 0.000 1.442 285 D HN 0.442 nan 8.370 nan 0.000 0.486 286 A N 0.292 123.109 122.820 -0.006 0.000 1.940 286 A HA -0.069 4.248 4.320 -0.006 0.000 0.221 286 A C 2.038 179.618 177.584 -0.007 0.000 1.190 286 A CA 2.564 54.597 52.037 -0.006 0.000 0.647 286 A CB -1.705 17.292 19.000 -0.005 0.000 0.821 286 A HN 0.766 nan 8.150 nan 0.000 0.457 287 G N -1.163 107.632 108.800 -0.007 0.000 2.498 287 G HA2 -0.134 3.823 3.960 -0.006 0.000 0.219 287 G HA3 -0.134 3.823 3.960 -0.006 0.000 0.219 287 G C 0.980 175.874 174.900 -0.010 0.000 1.119 287 G CA 1.080 46.175 45.100 -0.008 0.000 0.766 287 G HN 0.562 nan 8.290 nan 0.000 0.552 288 D N 0.158 120.552 120.400 -0.010 0.000 2.327 288 D HA 0.036 4.673 4.640 -0.006 0.000 0.205 288 D C 0.998 177.291 176.300 -0.010 0.000 0.989 288 D CA -0.134 53.859 54.000 -0.012 0.000 0.873 288 D CB 0.485 41.278 40.800 -0.013 0.000 0.955 288 D HN 0.126 nan 8.370 nan 0.000 0.515 289 I N 1.750 122.315 120.570 -0.009 0.000 2.662 289 I HA 0.256 4.422 4.170 -0.006 0.000 0.285 289 I C 1.337 177.450 176.117 -0.008 0.000 1.161 289 I CA 0.920 62.216 61.300 -0.008 0.000 1.415 289 I CB -0.128 37.868 38.000 -0.006 0.000 1.385 289 I HN 0.001 nan 8.210 nan 0.000 0.552 290 G N 5.317 114.112 108.800 -0.008 0.000 2.345 290 G HA2 0.136 4.093 3.960 -0.006 0.000 0.285 290 G HA3 0.136 4.093 3.960 -0.006 0.000 0.285 290 G C -1.108 173.787 174.900 -0.009 0.000 1.297 290 G CA -0.771 44.324 45.100 -0.008 0.000 0.875 290 G HN 0.395 nan 8.290 nan 0.000 0.506 291 T N 1.920 116.468 114.554 -0.009 0.000 2.743 291 T HA 0.531 4.877 4.350 -0.006 0.000 0.293 291 T C -0.001 174.692 174.700 -0.011 0.000 0.945 291 T CA -0.130 61.965 62.100 -0.010 0.000 1.030 291 T CB 1.190 70.053 68.868 -0.009 0.000 0.912 291 T HN 0.436 nan 8.240 nan 0.000 0.483 292 E N 3.217 123.409 120.200 -0.012 0.000 2.283 292 E HA 0.203 4.550 4.350 -0.006 0.000 0.267 292 E C -1.322 175.270 176.600 -0.015 0.000 1.045 292 E CA -2.048 54.343 56.400 -0.015 0.000 0.884 292 E CB 0.768 30.458 29.700 -0.017 0.000 1.106 292 E HN 0.333 nan 8.360 nan 0.000 0.408 293 P HA -0.136 nan 4.420 nan 0.000 0.215 293 P C -0.490 176.800 177.300 -0.016 0.000 1.157 293 P CA 1.446 64.536 63.100 -0.016 0.000 0.868 293 P CB 0.318 32.008 31.700 -0.017 0.000 0.788 294 E N -1.838 118.352 120.200 -0.017 0.000 2.369 294 E HA 0.610 4.956 4.350 -0.006 0.000 0.270 294 E C -0.922 175.668 176.600 -0.016 0.000 0.909 294 E CA -1.144 55.246 56.400 -0.017 0.000 0.775 294 E CB 1.892 31.580 29.700 -0.019 0.000 1.270 294 E HN -0.083 nan 8.360 nan 0.000 0.445 295 A N 0.393 123.204 122.820 -0.014 0.000 2.366 295 A HA 0.433 4.749 4.320 -0.006 0.000 0.249 295 A C 1.173 178.751 177.584 -0.010 0.000 1.084 295 A CA 0.345 52.376 52.037 -0.010 0.000 0.794 295 A CB 0.110 19.107 19.000 -0.006 0.000 1.034 295 A HN 0.779 nan 8.150 nan 0.000 0.491 296 G N -0.579 108.216 108.800 -0.007 0.000 2.679 296 G HA2 0.244 4.200 3.960 -0.006 0.000 0.212 296 G HA3 0.244 4.200 3.960 -0.006 0.000 0.212 296 G C 0.478 175.373 174.900 -0.009 0.000 1.137 296 G CA 0.443 45.538 45.100 -0.009 0.000 0.787 296 G HN 0.735 nan 8.290 nan 0.000 0.534 297 Q N 0.076 119.876 119.800 -0.001 0.000 2.423 297 Q HA 0.335 4.672 4.340 -0.006 0.000 0.278 297 Q C -1.390 174.617 176.000 0.011 0.000 1.097 297 Q CA -1.049 54.757 55.803 0.005 0.000 0.809 297 Q CB 1.992 30.749 28.738 0.032 0.000 1.391 297 Q HN 0.021 nan 8.270 nan 0.000 0.428 298 D N 0.544 120.950 120.400 0.010 0.000 2.411 298 D HA 0.384 5.020 4.640 -0.006 0.000 0.251 298 D C -0.229 176.120 176.300 0.081 0.000 1.201 298 D CA -0.112 53.902 54.000 0.023 0.000 0.996 298 D CB 0.831 41.633 40.800 0.003 0.000 1.101 298 D HN 0.616 nan 8.370 nan 0.000 0.504 299 A N 0.158 123.022 122.820 0.073 0.000 2.346 299 A HA 0.056 4.372 4.320 -0.006 0.000 0.252 299 A C 0.635 178.360 177.584 0.235 0.000 1.089 299 A CA -0.165 51.924 52.037 0.088 0.000 0.797 299 A CB -0.060 18.953 19.000 0.023 0.000 1.047 299 A HN 0.530 nan 8.150 nan 0.000 0.494 300 Y N 0.875 121.193 120.300 0.029 0.000 2.256 300 Y HA -0.206 4.340 4.550 -0.006 0.000 0.288 300 Y C 2.922 178.856 175.900 0.057 0.000 1.155 300 Y CA 1.666 59.790 58.100 0.040 0.000 1.203 300 Y CB -1.255 37.219 38.460 0.024 0.000 0.980 300 Y HN 0.727 nan 8.280 nan 0.000 0.530 301 S N -1.056 114.771 115.700 0.212 0.000 2.500 301 S HA -0.100 4.366 4.470 -0.006 0.000 0.239 301 S C 1.799 176.504 174.600 0.175 0.000 0.989 301 S CA 1.086 59.377 58.200 0.152 0.000 0.951 301 S CB -0.524 62.742 63.200 0.109 0.000 0.759 301 S HN 0.455 nan 8.310 nan 0.000 0.523 302 L N -0.334 121.012 121.223 0.205 0.000 2.588 302 L HA 0.355 4.692 4.340 -0.006 0.000 0.194 302 L C 2.750 179.843 176.870 0.372 0.000 1.070 302 L CA 0.221 55.234 54.840 0.288 0.000 0.852 302 L CB -0.216 41.950 42.059 0.178 0.000 1.199 302 L HN 0.170 nan 8.230 nan 0.000 0.486 303 R N -0.023 120.612 120.500 0.226 0.000 2.096 303 R HA -0.128 4.209 4.340 -0.006 0.000 0.235 303 R C 1.572 177.978 176.300 0.177 0.000 1.127 303 R CA 1.733 57.944 56.100 0.184 0.000 0.968 303 R CB -0.191 30.179 30.300 0.116 0.000 0.861 303 R HN 0.379 nan 8.270 nan 0.000 0.440 304 C N 0.396 119.752 119.300 0.093 0.000 2.614 304 C HA 0.429 4.885 4.460 -0.006 0.000 0.299 304 C C 2.071 177.064 174.990 0.004 0.000 1.293 304 C CA -0.347 58.657 59.018 -0.023 0.000 1.713 304 C CB -0.511 27.109 27.740 -0.201 0.000 1.890 304 C HN 0.620 nan 8.230 nan 0.000 0.602 305 A N 2.574 125.441 122.820 0.077 0.000 1.902 305 A HA -0.061 4.256 4.320 -0.006 0.000 0.217 305 A C 0.036 177.531 177.584 -0.149 0.000 1.181 305 A CA 1.616 53.632 52.037 -0.035 0.000 0.623 305 A CB -1.510 17.468 19.000 -0.036 0.000 0.818 305 A HN 0.406 nan 8.150 nan 0.000 0.443 306 P HA -0.163 nan 4.420 nan 0.000 0.215 306 P C 1.253 178.478 177.300 -0.126 0.000 1.153 306 P CA 1.517 64.524 63.100 -0.155 0.000 0.853 306 P CB -0.030 31.629 31.700 -0.069 0.000 0.788 307 Q N -0.977 118.768 119.800 -0.093 0.000 2.049 307 Q HA -0.076 4.260 4.340 -0.006 0.000 0.198 307 Q C 2.159 178.068 176.000 -0.151 0.000 0.971 307 Q CA 1.243 56.986 55.803 -0.100 0.000 0.833 307 Q CB -1.435 27.253 28.738 -0.085 0.000 0.896 307 Q HN 0.079 nan 8.270 nan 0.000 0.434 308 V N 0.512 120.333 119.914 -0.154 0.000 2.270 308 V HA -0.226 3.891 4.120 -0.006 0.000 0.245 308 V C 2.139 178.070 176.094 -0.272 0.000 1.043 308 V CA 1.573 63.769 62.300 -0.173 0.000 1.014 308 V CB -0.681 31.069 31.823 -0.123 0.000 0.645 308 V HN 0.302 nan 8.190 nan 0.000 0.447 309 L N 0.624 121.636 121.223 -0.351 0.000 2.079 309 L HA -0.116 4.221 4.340 -0.006 0.000 0.210 309 L C 2.646 178.945 176.870 -0.951 0.000 1.081 309 L CA 1.777 56.209 54.840 -0.681 0.000 0.752 309 L CB -1.171 40.488 42.059 -0.665 0.000 0.896 309 L HN 0.494 nan 8.230 nan 0.000 0.433 310 G N -0.522 107.971 108.800 -0.511 0.000 2.422 310 G HA2 -0.221 3.735 3.960 -0.006 0.000 0.218 310 G HA3 -0.221 3.735 3.960 -0.006 0.000 0.218 310 G C 1.758 176.554 174.900 -0.174 0.000 1.146 310 G CA 0.772 45.716 45.100 -0.260 0.000 0.769 310 G HN 0.473 nan 8.290 nan 0.000 0.547 311 A N 0.755 123.445 122.820 -0.216 0.000 1.930 311 A HA 0.221 4.538 4.320 -0.006 0.000 0.217 311 A C 2.657 180.170 177.584 -0.118 0.000 1.175 311 A CA 1.918 53.849 52.037 -0.176 0.000 0.627 311 A CB -0.835 18.053 19.000 -0.188 0.000 0.815 311 A HN 0.470 nan 8.150 nan 0.000 0.443 312 G N -1.112 107.579 108.800 -0.181 0.000 2.408 312 G HA2 -0.084 3.873 3.960 -0.006 0.000 0.217 312 G HA3 -0.084 3.873 3.960 -0.006 0.000 0.217 312 G C 1.259 176.232 174.900 0.122 0.000 1.150 312 G CA 0.955 45.996 45.100 -0.098 0.000 0.776 312 G HN 0.376 nan 8.290 nan 0.000 0.542 313 F N 1.655 121.608 119.950 0.004 0.000 2.234 313 F HA 0.056 4.579 4.527 -0.007 0.000 0.299 313 F C 2.225 178.049 175.800 0.040 0.000 1.087 313 F CA 0.290 58.304 58.000 0.025 0.000 1.340 313 F CB -0.525 38.484 39.000 0.014 0.000 1.031 313 F HN 0.111 nan 8.300 nan 0.000 0.500 314 D N -0.678 119.847 120.400 0.208 0.000 2.224 314 D HA -0.083 4.553 4.640 -0.006 0.000 0.205 314 D C 2.193 178.601 176.300 0.180 0.000 0.965 314 D CA 1.221 55.312 54.000 0.151 0.000 0.852 314 D CB -0.254 40.584 40.800 0.064 0.000 0.947 314 D HN 0.191 nan 8.370 nan 0.000 0.494 315 T N 1.105 115.759 114.554 0.167 0.000 2.770 315 T HA -0.097 4.249 4.350 -0.006 0.000 0.263 315 T C 1.899 176.769 174.700 0.283 0.000 1.039 315 T CA 0.325 62.567 62.100 0.237 0.000 1.142 315 T CB -0.189 68.769 68.868 0.151 0.000 0.868 315 T HN 0.039 nan 8.240 nan 0.000 0.435 316 L N 1.680 123.024 121.223 0.203 0.000 2.046 316 L HA 0.073 4.410 4.340 -0.006 0.000 0.208 316 L C 2.574 179.562 176.870 0.196 0.000 1.077 316 L CA 1.801 56.735 54.840 0.156 0.000 0.747 316 L CB -1.064 41.071 42.059 0.127 0.000 0.896 316 L HN 0.221 nan 8.230 nan 0.000 0.432 317 A N -1.150 121.789 122.820 0.198 0.000 1.908 317 A HA -0.288 4.029 4.320 -0.006 0.000 0.218 317 A C 2.138 179.864 177.584 0.237 0.000 1.181 317 A CA 1.831 53.975 52.037 0.179 0.000 0.627 317 A CB -1.487 17.611 19.000 0.162 0.000 0.818 317 A HN 0.748 nan 8.150 nan 0.000 0.445 318 W N 0.313 121.672 121.300 0.099 0.000 2.381 318 W HA -0.179 4.472 4.660 -0.016 0.000 0.301 318 W C 2.243 178.830 176.519 0.113 0.000 1.205 318 W CA 1.865 59.263 57.345 0.089 0.000 1.285 318 W CB -0.732 28.774 29.460 0.076 0.000 1.133 318 W HN 0.628 nan 8.180 nan 0.000 0.521 319 H N 0.144 119.160 119.070 -0.089 0.000 2.319 319 H HA -0.169 4.385 4.556 -0.005 0.000 0.299 319 H C 1.318 176.539 175.328 -0.179 0.000 1.092 319 H CA 2.399 58.294 56.048 -0.255 0.000 1.302 319 H CB -0.501 29.216 29.762 -0.074 0.000 1.373 319 H HN 0.058 nan 8.280 nan 0.000 0.497 320 D N 0.125 120.588 120.400 0.105 0.000 2.178 320 D HA -0.061 4.575 4.640 -0.006 0.000 0.202 320 D C 2.584 178.865 176.300 -0.032 0.000 0.974 320 D CA 0.524 54.557 54.000 0.055 0.000 0.841 320 D CB -0.171 40.694 40.800 0.109 0.000 0.953 320 D HN 0.377 nan 8.370 nan 0.000 0.478 321 R N 0.234 120.718 120.500 -0.025 0.000 2.066 321 R HA -0.044 4.292 4.340 -0.006 0.000 0.232 321 R C 2.288 178.537 176.300 -0.085 0.000 1.131 321 R CA 0.738 56.831 56.100 -0.011 0.000 0.955 321 R CB -0.431 29.909 30.300 0.066 0.000 0.851 321 R HN 0.101 nan 8.270 nan 0.000 0.432 322 V N 1.443 121.227 119.914 -0.217 0.000 2.358 322 V HA -0.213 3.904 4.120 -0.006 0.000 0.246 322 V C 2.222 178.178 176.094 -0.231 0.000 1.047 322 V CA 1.347 63.499 62.300 -0.248 0.000 1.035 322 V CB -0.427 31.134 31.823 -0.436 0.000 0.658 322 V HN 0.228 nan 8.190 nan 0.000 0.452 323 L N 0.083 121.132 121.223 -0.292 0.000 2.083 323 L HA -0.144 4.193 4.340 -0.006 0.000 0.209 323 L C 2.424 179.216 176.870 -0.130 0.000 1.083 323 L CA 2.352 57.047 54.840 -0.242 0.000 0.752 323 L CB -0.978 40.901 42.059 -0.300 0.000 0.899 323 L HN 0.339 nan 8.230 nan 0.000 0.433 324 T N -0.119 114.385 114.554 -0.084 0.000 2.746 324 T HA -0.152 4.195 4.350 -0.006 0.000 0.267 324 T C 1.961 176.650 174.700 -0.019 0.000 1.039 324 T CA 1.981 64.065 62.100 -0.027 0.000 1.142 324 T CB -0.281 68.613 68.868 0.044 0.000 0.866 324 T HN 0.331 nan 8.240 nan 0.000 0.444 325 I N 0.667 121.213 120.570 -0.041 0.000 2.202 325 I HA -0.125 4.041 4.170 -0.006 0.000 0.242 325 I C 2.731 178.798 176.117 -0.083 0.000 1.091 325 I CA 1.244 62.515 61.300 -0.049 0.000 1.368 325 I CB -0.332 37.618 38.000 -0.084 0.000 1.058 325 I HN 0.203 nan 8.210 nan 0.000 0.410 326 E N 1.422 121.552 120.200 -0.116 0.000 2.077 326 E HA -0.259 4.088 4.350 -0.006 0.000 0.193 326 E C 2.037 178.587 176.600 -0.083 0.000 0.989 326 E CA 1.313 57.644 56.400 -0.114 0.000 0.800 326 E CB -0.283 29.344 29.700 -0.121 0.000 0.746 326 E HN 0.309 nan 8.360 nan 0.000 0.452 327 L N 0.963 122.137 121.223 -0.081 0.000 2.042 327 L HA -0.109 4.228 4.340 -0.006 0.000 0.210 327 L C 1.271 178.097 176.870 -0.073 0.000 1.076 327 L CA 1.865 56.660 54.840 -0.076 0.000 0.749 327 L CB -0.459 41.548 42.059 -0.087 0.000 0.893 327 L HN 0.151 nan 8.230 nan 0.000 0.432 328 N N -0.057 118.602 118.700 -0.068 0.000 2.322 328 N HA 0.178 4.915 4.740 -0.006 0.000 0.194 328 N C 0.375 175.871 175.510 -0.024 0.000 1.126 328 N CA 0.630 53.653 53.050 -0.046 0.000 0.845 328 N CB 0.157 38.640 38.487 -0.006 0.000 0.976 328 N HN 0.430 nan 8.380 nan 0.000 0.475 329 A N 0.333 123.129 122.820 -0.040 0.000 2.252 329 A HA 0.529 4.846 4.320 -0.006 0.000 0.305 329 A C 0.113 177.675 177.584 -0.037 0.000 1.097 329 A CA -0.381 51.630 52.037 -0.044 0.000 0.849 329 A CB 0.926 19.884 19.000 -0.071 0.000 1.142 329 A HN -0.036 nan 8.150 nan 0.000 0.499 330 V N 1.581 121.473 119.914 -0.037 0.000 2.333 330 V HA 0.401 4.517 4.120 -0.006 0.000 0.274 330 V C 0.272 176.344 176.094 -0.037 0.000 1.028 330 V CA 0.144 62.427 62.300 -0.028 0.000 0.851 330 V CB 0.678 32.485 31.823 -0.026 0.000 1.000 330 V HN 0.943 nan 8.190 nan 0.000 0.456 331 T N 0.444 114.987 114.554 -0.019 0.000 3.042 331 T HA 0.659 5.005 4.350 -0.006 0.000 0.356 331 T C -0.772 173.952 174.700 0.040 0.000 1.233 331 T CA -0.592 61.506 62.100 -0.003 0.000 1.038 331 T CB 0.929 69.801 68.868 0.007 0.000 1.089 331 T HN 0.596 nan 8.240 nan 0.000 0.531 332 D N 1.728 122.150 120.400 0.038 0.000 2.622 332 D HA 0.522 5.159 4.640 -0.006 0.000 0.255 332 D C -1.675 174.665 176.300 0.067 0.000 1.246 332 D CA -0.433 53.609 54.000 0.070 0.000 0.795 332 D CB 2.260 43.075 40.800 0.024 0.000 1.369 332 D HN 0.517 nan 8.370 nan 0.000 0.425 333 N N 0.692 119.452 118.700 0.100 0.000 2.554 333 N HA 0.423 5.160 4.740 -0.006 0.000 0.271 333 N C -2.926 172.617 175.510 0.055 0.000 1.081 333 N CA -0.961 52.119 53.050 0.051 0.000 0.994 333 N CB 2.787 41.432 38.487 0.263 0.000 1.641 333 N HN 0.049 nan 8.380 nan 0.000 0.511 334 P HA 0.319 nan 4.420 nan 0.000 0.297 334 P C -0.900 176.073 177.300 -0.545 0.000 1.303 334 P CA -0.391 62.435 63.100 -0.456 0.000 0.753 334 P CB 0.797 31.988 31.700 -0.848 0.000 1.281 335 V N -4.215 115.312 119.914 -0.644 0.000 2.962 335 V HA 0.611 4.727 4.120 -0.006 0.000 0.313 335 V C -0.974 174.690 176.094 -0.717 0.000 1.099 335 V CA -0.905 61.045 62.300 -0.583 0.000 0.971 335 V CB 1.605 33.276 31.823 -0.252 0.000 1.028 335 V HN 0.212 nan 8.190 nan 0.000 0.430 336 F N 2.043 121.977 119.950 -0.026 0.000 2.359 336 F HA 0.610 5.137 4.527 0.000 0.000 0.369 336 F C -2.414 173.380 175.800 -0.010 0.000 1.084 336 F CA -2.608 55.383 58.000 -0.016 0.000 1.096 336 F CB 1.231 40.228 39.000 -0.004 0.000 1.335 336 F HN 0.288 nan 8.300 nan 0.000 0.457 337 P HA -0.017 nan 4.420 nan 0.000 0.258 337 P C -1.977 175.367 177.300 0.074 0.000 1.172 337 P CA -0.579 62.557 63.100 0.059 0.000 0.762 337 P CB 0.429 32.151 31.700 0.037 0.000 0.764 338 P HA -0.181 nan 4.420 nan 0.000 0.222 338 P C 0.741 178.062 177.300 0.035 0.000 1.147 338 P CA 1.326 64.454 63.100 0.047 0.000 0.790 338 P CB -0.075 31.646 31.700 0.036 0.000 0.780 339 D N -2.006 118.413 120.400 0.030 0.000 2.317 339 D HA 0.045 4.682 4.640 -0.006 0.000 0.211 339 D C 1.452 177.768 176.300 0.027 0.000 0.966 339 D CA 0.946 54.961 54.000 0.024 0.000 0.876 339 D CB -1.114 39.696 40.800 0.018 0.000 0.927 339 D HN 0.156 nan 8.370 nan 0.000 0.519 340 G N 0.042 108.864 108.800 0.037 0.000 2.136 340 G HA2 -0.358 3.598 3.960 -0.006 0.000 0.242 340 G HA3 -0.358 3.598 3.960 -0.006 0.000 0.242 340 G C 1.221 176.142 174.900 0.035 0.000 0.989 340 G CA 0.993 46.116 45.100 0.039 0.000 0.682 340 G HN 0.646 nan 8.290 nan 0.000 0.522 341 S N -1.406 114.313 115.700 0.031 0.000 2.370 341 S HA 0.181 4.647 4.470 -0.006 0.000 0.226 341 S C 1.221 175.840 174.600 0.032 0.000 1.033 341 S CA 2.115 60.331 58.200 0.026 0.000 1.011 341 S CB -0.391 62.821 63.200 0.019 0.000 0.852 341 S HN 2.099 nan 8.310 nan 0.000 0.457 342 V N -3.911 116.028 119.914 0.042 0.000 3.114 342 V HA 0.570 4.686 4.120 -0.006 0.000 0.308 342 V C -2.543 173.598 176.094 0.079 0.000 1.168 342 V CA -2.093 60.238 62.300 0.052 0.000 1.015 342 V CB 1.174 33.024 31.823 0.045 0.000 1.050 342 V HN -0.123 nan 8.190 nan 0.000 0.433 343 P HA 0.238 nan 4.420 nan 0.000 0.216 343 P C 0.275 177.718 177.300 0.238 0.000 1.153 343 P CA 2.141 65.326 63.100 0.143 0.000 0.848 343 P CB 0.172 31.948 31.700 0.127 0.000 0.787 344 A N -1.953 120.957 122.820 0.150 0.000 2.608 344 A HA 0.645 4.961 4.320 -0.006 0.000 0.292 344 A C -1.905 175.648 177.584 -0.051 0.000 1.066 344 A CA -0.529 51.522 52.037 0.023 0.000 0.676 344 A CB 0.458 19.465 19.000 0.011 0.000 1.277 344 A HN -0.049 nan 8.150 nan 0.000 0.413 345 L N 1.108 122.209 121.223 -0.204 0.000 2.362 345 L HA 0.593 4.929 4.340 -0.006 0.000 0.271 345 L C -1.095 175.608 176.870 -0.279 0.000 1.002 345 L CA -0.682 54.081 54.840 -0.130 0.000 0.818 345 L CB 2.276 44.272 42.059 -0.105 0.000 1.298 345 L HN 0.850 nan 8.230 nan 0.000 0.420 346 H N 1.188 120.201 119.070 -0.096 0.000 2.539 346 H HA 0.736 5.286 4.556 -0.010 0.000 0.332 346 H C 0.163 175.437 175.328 -0.090 0.000 1.031 346 H CA -0.131 55.860 56.048 -0.095 0.000 1.206 346 H CB 1.911 31.615 29.762 -0.098 0.000 1.446 346 H HN 0.743 nan 8.280 nan 0.000 0.496 347 G N 0.765 109.551 108.800 -0.022 0.000 2.793 347 G HA2 0.447 4.403 3.960 -0.006 0.000 0.248 347 G HA3 0.447 4.403 3.960 -0.006 0.000 0.248 347 G C -0.247 174.538 174.900 -0.191 0.000 1.198 347 G CA -0.309 44.741 45.100 -0.084 0.000 0.865 347 G HN 0.646 nan 8.290 nan 0.000 0.534 348 G N 0.048 108.608 108.800 -0.400 0.000 4.716 348 G HA2 0.293 4.249 3.960 -0.006 0.000 0.282 348 G HA3 0.293 4.249 3.960 -0.006 0.000 0.282 348 G C 0.204 174.498 174.900 -1.010 0.000 1.173 348 G CA -0.168 44.323 45.100 -1.016 0.000 0.913 348 G HN 0.259 nan 8.290 nan 0.000 0.566 349 N N 0.875 119.210 118.700 -0.609 0.000 2.609 349 N HA -0.030 4.707 4.740 -0.006 0.000 0.190 349 N C 1.402 176.755 175.510 -0.263 0.000 1.157 349 N CA 0.254 53.097 53.050 -0.344 0.000 0.918 349 N CB -0.143 38.234 38.487 -0.183 0.000 0.978 349 N HN 0.634 nan 8.380 nan 0.000 0.448 350 F N -1.477 118.458 119.950 -0.025 0.000 2.776 350 F HA 0.356 4.886 4.527 0.006 0.000 0.300 350 F C 0.787 176.585 175.800 -0.003 0.000 1.116 350 F CA -0.830 57.161 58.000 -0.016 0.000 1.375 350 F CB -0.641 38.352 39.000 -0.013 0.000 1.109 350 F HN -0.165 nan 8.300 nan 0.000 0.585 351 M N 2.736 122.277 119.600 -0.097 0.000 2.350 351 M HA 0.371 4.847 4.480 -0.006 0.000 0.338 351 M C 0.954 177.289 176.300 0.059 0.000 1.559 351 M CA -0.565 54.769 55.300 0.055 0.000 1.217 351 M CB 0.191 32.743 32.600 -0.079 0.000 1.808 351 M HN 0.238 nan 8.290 nan 0.000 0.458 352 G N 3.377 112.235 108.800 0.096 0.000 3.452 352 G HA2 0.034 3.991 3.960 -0.006 0.000 0.258 352 G HA3 0.034 3.991 3.960 -0.006 0.000 0.258 352 G C 0.692 175.630 174.900 0.063 0.000 1.305 352 G CA -0.194 44.949 45.100 0.072 0.000 1.514 352 G HN 0.801 nan 8.290 nan 0.000 0.593 353 Q N 0.004 119.842 119.800 0.064 0.000 2.167 353 Q HA -0.095 4.241 4.340 -0.006 0.000 0.202 353 Q C 1.913 177.893 176.000 -0.033 0.000 0.970 353 Q CA 1.453 57.263 55.803 0.012 0.000 0.855 353 Q CB -0.115 28.611 28.738 -0.019 0.000 0.911 353 Q HN 0.718 nan 8.270 nan 0.000 0.438 354 H N -1.761 117.285 119.070 -0.041 0.000 2.326 354 H HA -0.052 4.497 4.556 -0.012 0.000 0.301 354 H C 1.813 177.057 175.328 -0.140 0.000 1.081 354 H CA 1.753 57.751 56.048 -0.083 0.000 1.334 354 H CB -0.054 29.647 29.762 -0.102 0.000 1.385 354 H HN 0.064 nan 8.280 nan 0.000 0.504 355 V N 0.561 120.477 119.914 0.002 0.000 2.515 355 V HA -0.223 3.893 4.120 -0.006 0.000 0.250 355 V C 2.493 178.568 176.094 -0.032 0.000 1.058 355 V CA 1.407 63.666 62.300 -0.069 0.000 1.064 355 V CB -0.933 30.864 31.823 -0.044 0.000 0.675 355 V HN 0.567 nan 8.190 nan 0.000 0.461 356 A N 0.024 122.843 122.820 -0.002 0.000 1.877 356 A HA -0.167 4.149 4.320 -0.006 0.000 0.216 356 A C 2.201 179.796 177.584 0.018 0.000 1.186 356 A CA 1.850 53.897 52.037 0.017 0.000 0.620 356 A CB -0.523 18.491 19.000 0.024 0.000 0.822 356 A HN 0.492 nan 8.150 nan 0.000 0.443 357 L N -0.180 121.043 121.223 -0.001 0.000 2.093 357 L HA -0.136 4.200 4.340 -0.006 0.000 0.208 357 L C 2.959 179.868 176.870 0.066 0.000 1.085 357 L CA 1.749 56.617 54.840 0.047 0.000 0.755 357 L CB -0.833 41.265 42.059 0.066 0.000 0.904 357 L HN 0.665 nan 8.230 nan 0.000 0.435 358 T N -4.782 109.707 114.554 -0.107 0.000 2.904 358 T HA -0.074 4.272 4.350 -0.006 0.000 0.267 358 T C 2.030 176.798 174.700 0.113 0.000 1.059 358 T CA 1.138 63.122 62.100 -0.193 0.000 1.137 358 T CB -0.176 68.345 68.868 -0.578 0.000 0.879 358 T HN 0.104 nan 8.240 nan 0.000 0.467 359 S N 1.664 117.426 115.700 0.103 0.000 2.368 359 S HA -0.102 4.364 4.470 -0.006 0.000 0.225 359 S C 1.849 176.514 174.600 0.109 0.000 1.030 359 S CA 1.254 59.546 58.200 0.153 0.000 0.999 359 S CB -0.533 62.731 63.200 0.107 0.000 0.844 359 S HN 0.521 nan 8.310 nan 0.000 0.459 360 D N 1.552 122.008 120.400 0.093 0.000 2.117 360 D HA 0.018 4.654 4.640 -0.006 0.000 0.198 360 D C 2.121 178.478 176.300 0.095 0.000 0.982 360 D CA 1.166 55.216 54.000 0.082 0.000 0.828 360 D CB -0.415 40.428 40.800 0.071 0.000 0.967 360 D HN 0.372 nan 8.370 nan 0.000 0.464 361 A N 0.692 123.604 122.820 0.153 0.000 1.898 361 A HA -0.128 4.188 4.320 -0.006 0.000 0.216 361 A C 2.146 179.808 177.584 0.129 0.000 1.181 361 A CA 0.917 53.066 52.037 0.186 0.000 0.620 361 A CB -0.647 18.592 19.000 0.398 0.000 0.819 361 A HN 0.242 nan 8.150 nan 0.000 0.442 362 L N -0.238 121.058 121.223 0.122 0.000 2.093 362 L HA -0.014 4.322 4.340 -0.006 0.000 0.208 362 L C 2.641 179.505 176.870 -0.010 0.000 1.085 362 L CA 2.048 56.906 54.840 0.031 0.000 0.755 362 L CB -0.795 41.217 42.059 -0.078 0.000 0.904 362 L HN 0.337 nan 8.230 nan 0.000 0.435 363 A N -1.456 121.372 122.820 0.013 0.000 1.908 363 A HA -0.225 4.092 4.320 -0.006 0.000 0.218 363 A C 2.265 179.828 177.584 -0.035 0.000 1.181 363 A CA 2.398 54.433 52.037 -0.004 0.000 0.627 363 A CB -1.237 17.777 19.000 0.024 0.000 0.818 363 A HN 0.513 nan 8.150 nan 0.000 0.445 364 T N 0.250 114.793 114.554 -0.018 0.000 2.746 364 T HA -0.007 4.339 4.350 -0.006 0.000 0.267 364 T C 2.236 176.884 174.700 -0.087 0.000 1.039 364 T CA 1.590 63.667 62.100 -0.039 0.000 1.142 364 T CB -0.476 68.384 68.868 -0.013 0.000 0.866 364 T HN 0.610 nan 8.240 nan 0.000 0.444 365 A N 0.990 123.760 122.820 -0.084 0.000 1.902 365 A HA -0.058 4.258 4.320 -0.006 0.000 0.217 365 A C 2.589 180.008 177.584 -0.276 0.000 1.181 365 A CA 1.361 53.315 52.037 -0.140 0.000 0.623 365 A CB -1.061 17.891 19.000 -0.081 0.000 0.818 365 A HN 0.351 nan 8.150 nan 0.000 0.443 366 V N -0.253 119.485 119.914 -0.294 0.000 2.343 366 V HA -0.230 3.886 4.120 -0.006 0.000 0.247 366 V C 2.740 178.519 176.094 -0.525 0.000 1.051 366 V CA 2.478 64.460 62.300 -0.529 0.000 1.036 366 V CB -1.177 30.494 31.823 -0.254 0.000 0.654 366 V HN 0.620 nan 8.190 nan 0.000 0.451 367 T N -0.253 114.136 114.554 -0.275 0.000 2.788 367 T HA -0.147 4.200 4.350 -0.006 0.000 0.268 367 T C 1.934 176.502 174.700 -0.220 0.000 1.044 367 T CA 1.509 63.488 62.100 -0.201 0.000 1.139 367 T CB -0.158 68.648 68.868 -0.103 0.000 0.867 367 T HN 0.283 nan 8.240 nan 0.000 0.454 368 V N 1.191 120.971 119.914 -0.223 0.000 2.295 368 V HA -0.100 4.016 4.120 -0.006 0.000 0.246 368 V C 2.378 178.330 176.094 -0.236 0.000 1.049 368 V CA 1.353 63.540 62.300 -0.187 0.000 1.024 368 V CB -0.540 31.186 31.823 -0.161 0.000 0.648 368 V HN 0.325 nan 8.190 nan 0.000 0.447 369 L N 0.281 121.268 121.223 -0.393 0.000 2.141 369 L HA -0.021 4.315 4.340 -0.006 0.000 0.209 369 L C 2.524 179.181 176.870 -0.354 0.000 1.094 369 L CA 1.995 56.592 54.840 -0.405 0.000 0.763 369 L CB -1.165 40.522 42.059 -0.620 0.000 0.908 369 L HN 0.284 nan 8.230 nan 0.000 0.437 370 A N -0.557 121.930 122.820 -0.555 0.000 1.969 370 A HA -0.039 4.278 4.320 -0.006 0.000 0.218 370 A C 2.421 179.985 177.584 -0.034 0.000 1.169 370 A CA 1.425 53.334 52.037 -0.212 0.000 0.635 370 A CB -1.171 17.722 19.000 -0.179 0.000 0.810 370 A HN 0.414 nan 8.150 nan 0.000 0.445 371 G N -0.123 108.627 108.800 -0.084 0.000 2.408 371 G HA2 -0.111 3.845 3.960 -0.006 0.000 0.217 371 G HA3 -0.111 3.845 3.960 -0.006 0.000 0.217 371 G C 1.466 176.368 174.900 0.004 0.000 1.150 371 G CA 1.167 46.249 45.100 -0.029 0.000 0.776 371 G HN 0.499 nan 8.290 nan 0.000 0.542 372 L N 1.395 122.616 121.223 -0.004 0.000 2.027 372 L HA 0.193 4.530 4.340 -0.006 0.000 0.206 372 L C 3.005 179.919 176.870 0.072 0.000 1.074 372 L CA 2.246 57.105 54.840 0.031 0.000 0.745 372 L CB -0.801 41.268 42.059 0.017 0.000 0.898 372 L HN 0.205 nan 8.230 nan 0.000 0.433 373 A N -0.865 122.023 122.820 0.113 0.000 1.933 373 A HA -0.229 4.088 4.320 -0.006 0.000 0.218 373 A C 2.327 179.971 177.584 0.099 0.000 1.175 373 A CA 1.734 53.857 52.037 0.142 0.000 0.628 373 A CB -0.760 18.385 19.000 0.241 0.000 0.814 373 A HN 0.599 nan 8.150 nan 0.000 0.444 374 E N -0.078 120.174 120.200 0.086 0.000 2.077 374 E HA -0.188 4.158 4.350 -0.006 0.000 0.193 374 E C 2.070 178.704 176.600 0.056 0.000 0.989 374 E CA 0.827 57.267 56.400 0.067 0.000 0.800 374 E CB -0.194 29.539 29.700 0.056 0.000 0.746 374 E HN 0.379 nan 8.360 nan 0.000 0.452 375 R N 0.357 120.888 120.500 0.052 0.000 2.115 375 R HA -0.038 4.298 4.340 -0.006 0.000 0.226 375 R C 2.360 178.690 176.300 0.049 0.000 1.100 375 R CA 0.804 56.931 56.100 0.046 0.000 0.980 375 R CB -0.392 29.934 30.300 0.044 0.000 0.875 375 R HN 0.396 nan 8.270 nan 0.000 0.445 376 Q N 0.052 119.887 119.800 0.058 0.000 2.119 376 Q HA -0.045 4.291 4.340 -0.006 0.000 0.201 376 Q C 2.180 178.203 176.000 0.038 0.000 0.972 376 Q CA 1.127 56.964 55.803 0.057 0.000 0.847 376 Q CB -0.091 28.690 28.738 0.072 0.000 0.903 376 Q HN 0.307 nan 8.270 nan 0.000 0.433 377 I N 0.618 121.211 120.570 0.039 0.000 2.252 377 I HA -0.258 3.908 4.170 -0.006 0.000 0.245 377 I C 2.433 178.573 176.117 0.039 0.000 1.102 377 I CA 0.880 62.196 61.300 0.026 0.000 1.385 377 I CB -0.411 37.611 38.000 0.036 0.000 1.064 377 I HN 0.153 nan 8.210 nan 0.000 0.414 378 A N 0.834 123.684 122.820 0.049 0.000 1.940 378 A HA -0.267 4.049 4.320 -0.006 0.000 0.219 378 A C 2.435 180.032 177.584 0.022 0.000 1.176 378 A CA 2.032 54.101 52.037 0.053 0.000 0.631 378 A CB -0.650 18.381 19.000 0.050 0.000 0.814 378 A HN 0.395 nan 8.150 nan 0.000 0.446 379 R N -0.988 119.521 120.500 0.014 0.000 2.062 379 R HA -0.041 4.296 4.340 -0.006 0.000 0.229 379 R C 2.043 178.331 176.300 -0.021 0.000 1.128 379 R CA 1.432 57.530 56.100 -0.003 0.000 0.960 379 R CB -0.416 29.891 30.300 0.011 0.000 0.855 379 R HN 0.394 nan 8.270 nan 0.000 0.432 380 L N 1.140 122.355 121.223 -0.014 0.000 2.083 380 L HA -0.118 4.218 4.340 -0.006 0.000 0.209 380 L C 2.021 178.857 176.870 -0.057 0.000 1.083 380 L CA 2.454 57.275 54.840 -0.031 0.000 0.752 380 L CB -0.506 41.534 42.059 -0.032 0.000 0.899 380 L HN 0.457 nan 8.230 nan 0.000 0.433 381 T N -4.304 110.218 114.554 -0.053 0.000 3.100 381 T HA 0.022 4.368 4.350 -0.006 0.000 0.253 381 T C 0.748 175.243 174.700 -0.340 0.000 1.118 381 T CA -0.107 61.933 62.100 -0.101 0.000 1.058 381 T CB -0.453 68.473 68.868 0.097 0.000 0.953 381 T HN 0.237 nan 8.240 nan 0.000 0.515 382 D N 2.684 122.947 120.400 -0.228 0.000 2.339 382 D HA 0.070 4.707 4.640 -0.006 0.000 0.241 382 D C 1.329 177.507 176.300 -0.204 0.000 1.183 382 D CA -0.296 53.549 54.000 -0.258 0.000 0.859 382 D CB 1.217 41.946 40.800 -0.118 0.000 1.067 382 D HN 0.619 nan 8.370 nan 0.000 0.484 383 E N 3.332 123.386 120.200 -0.244 0.000 2.267 383 E HA -0.202 4.144 4.350 -0.006 0.000 0.197 383 E C 1.013 177.564 176.600 -0.082 0.000 0.998 383 E CA 0.781 57.099 56.400 -0.137 0.000 0.830 383 E CB 0.084 29.719 29.700 -0.109 0.000 0.751 383 E HN 0.373 nan 8.360 nan 0.000 0.491 384 R N 0.014 120.467 120.500 -0.079 0.000 2.275 384 R HA 0.167 4.504 4.340 -0.006 0.000 0.199 384 R C 1.715 177.989 176.300 -0.044 0.000 0.989 384 R CA 0.530 56.601 56.100 -0.048 0.000 1.016 384 R CB 0.189 30.467 30.300 -0.038 0.000 0.918 384 R HN 0.286 nan 8.270 nan 0.000 0.473 385 L N 0.034 121.225 121.223 -0.053 0.000 2.840 385 L HA 0.106 4.442 4.340 -0.006 0.000 0.249 385 L C 0.671 177.518 176.870 -0.038 0.000 1.119 385 L CA -0.097 54.718 54.840 -0.041 0.000 0.930 385 L CB 0.179 42.216 42.059 -0.037 0.000 1.295 385 L HN 0.102 nan 8.230 nan 0.000 0.534 386 N N 0.940 119.610 118.700 -0.050 0.000 2.362 386 N HA -0.048 4.688 4.740 -0.006 0.000 0.204 386 N C 0.018 175.509 175.510 -0.032 0.000 1.166 386 N CA -0.252 52.773 53.050 -0.042 0.000 0.831 386 N CB -0.194 38.259 38.487 -0.057 0.000 1.008 386 N HN 0.078 nan 8.380 nan 0.000 0.472 387 R N -0.457 120.026 120.500 -0.029 0.000 3.188 387 R HA -0.166 4.170 4.340 -0.006 0.000 0.247 387 R C 0.787 177.074 176.300 -0.021 0.000 0.918 387 R CA 0.467 56.553 56.100 -0.023 0.000 0.629 387 R CB -2.111 28.178 30.300 -0.019 0.000 1.087 387 R HN 0.626 nan 8.270 nan 0.000 0.462 388 G N -0.916 107.871 108.800 -0.023 0.000 2.194 388 G HA2 -0.305 3.651 3.960 -0.006 0.000 0.236 388 G HA3 -0.305 3.651 3.960 -0.006 0.000 0.236 388 G C 0.273 175.160 174.900 -0.021 0.000 0.987 388 G CA 0.088 45.177 45.100 -0.019 0.000 0.635 388 G HN 0.273 nan 8.290 nan 0.000 0.520 389 L N 1.554 122.760 121.223 -0.028 0.000 2.436 389 L HA 0.419 4.756 4.340 -0.006 0.000 0.265 389 L C -1.636 175.213 176.870 -0.035 0.000 1.168 389 L CA -2.006 52.814 54.840 -0.032 0.000 0.815 389 L CB 0.675 42.714 42.059 -0.033 0.000 1.109 389 L HN -0.086 nan 8.230 nan 0.000 0.462 390 P HA 0.052 nan 4.420 nan 0.000 0.269 390 P C -2.469 174.851 177.300 0.033 0.000 1.209 390 P CA -0.921 62.163 63.100 -0.027 0.000 0.776 390 P CB -0.130 31.433 31.700 -0.227 0.000 0.876 391 P HA -0.018 nan 4.420 nan 0.000 0.267 391 P C -0.242 177.116 177.300 0.097 0.000 1.209 391 P CA 0.353 63.406 63.100 -0.079 0.000 0.763 391 P CB -0.153 31.543 31.700 -0.007 0.000 0.816 392 F N 1.586 121.633 119.950 0.162 0.000 3.084 392 F HA -0.239 4.284 4.527 -0.006 0.000 0.286 392 F C 1.279 177.250 175.800 0.285 0.000 0.855 392 F CA 0.325 58.444 58.000 0.199 0.000 1.091 392 F CB -2.636 36.477 39.000 0.189 0.000 1.177 392 F HN 0.268 nan 8.300 nan 0.000 0.542 393 L N -1.588 119.792 121.223 0.261 0.000 3.737 393 L HA -0.316 4.020 4.340 -0.006 0.000 0.418 393 L C 1.335 178.364 176.870 0.266 0.000 1.216 393 L CA 1.059 56.028 54.840 0.215 0.000 0.915 393 L CB -1.906 40.272 42.059 0.197 0.000 1.834 393 L HN 0.696 nan 8.230 nan 0.000 0.943 394 H N 0.211 119.413 119.070 0.220 0.000 2.603 394 H HA 0.684 5.237 4.556 -0.006 0.000 0.370 394 H C 0.320 175.712 175.328 0.106 0.000 1.225 394 H CA -0.528 55.612 56.048 0.154 0.000 1.410 394 H CB 0.973 30.813 29.762 0.130 0.000 1.495 394 H HN 0.297 nan 8.280 nan 0.000 0.602 395 R N -0.385 120.149 120.500 0.057 0.000 2.939 395 R HA 0.471 4.807 4.340 -0.006 0.000 0.254 395 R C -0.167 176.250 176.300 0.195 0.000 1.123 395 R CA -0.274 55.829 56.100 0.004 0.000 1.020 395 R CB 1.811 32.127 30.300 0.027 0.000 1.206 395 R HN 1.068 nan 8.270 nan 0.000 0.491 396 G N 0.933 109.809 108.800 0.127 0.000 2.750 396 G HA2 -0.203 3.754 3.960 -0.006 0.000 0.228 396 G HA3 -0.203 3.754 3.960 -0.006 0.000 0.228 396 G C -2.676 172.348 174.900 0.206 0.000 1.367 396 G CA -1.102 44.080 45.100 0.137 0.000 0.871 396 G HN 0.386 nan 8.290 nan 0.000 0.560 397 P HA 0.502 nan 4.420 nan 0.000 0.271 397 P C 0.171 177.484 177.300 0.021 0.000 1.220 397 P CA 0.689 63.847 63.100 0.096 0.000 0.768 397 P CB 1.029 32.755 31.700 0.043 0.000 0.848 398 A N 3.173 125.988 122.820 -0.009 0.000 2.450 398 A HA 0.517 4.834 4.320 -0.006 0.000 0.255 398 A C 1.454 178.935 177.584 -0.171 0.000 1.096 398 A CA 0.857 52.701 52.037 -0.321 0.000 0.778 398 A CB -0.924 17.993 19.000 -0.137 0.000 1.031 398 A HN 0.798 nan 8.150 nan 0.000 0.494 399 G N 0.949 109.629 108.800 -0.199 0.000 2.850 399 G HA2 -0.266 3.691 3.960 -0.006 0.000 0.207 399 G HA3 -0.266 3.691 3.960 -0.006 0.000 0.207 399 G C 1.103 175.954 174.900 -0.083 0.000 1.302 399 G CA 0.324 45.367 45.100 -0.095 0.000 0.832 399 G HN 0.741 nan 8.290 nan 0.000 0.543 400 L N 1.043 122.224 121.223 -0.070 0.000 2.083 400 L HA 0.116 4.452 4.340 -0.006 0.000 0.209 400 L C 0.817 177.654 176.870 -0.055 0.000 1.083 400 L CA 1.066 55.879 54.840 -0.046 0.000 0.752 400 L CB -0.297 41.749 42.059 -0.023 0.000 0.899 400 L HN 0.308 nan 8.230 nan 0.000 0.433 401 N N -1.097 117.551 118.700 -0.086 0.000 2.372 401 N HA 0.177 4.913 4.740 -0.006 0.000 0.291 401 N C -0.004 175.429 175.510 -0.128 0.000 1.024 401 N CA -0.067 52.943 53.050 -0.067 0.000 0.873 401 N CB 2.038 40.545 38.487 0.032 0.000 1.206 401 N HN -0.159 nan 8.380 nan 0.000 0.486 402 S N 0.260 115.927 115.700 -0.055 0.000 2.603 402 S HA 0.233 4.699 4.470 -0.006 0.000 0.232 402 S C 1.312 175.951 174.600 0.064 0.000 1.016 402 S CA 0.005 58.184 58.200 -0.034 0.000 0.976 402 S CB 0.477 63.611 63.200 -0.110 0.000 0.921 402 S HN 0.914 nan 8.310 nan 0.000 0.516 403 G N 2.527 111.369 108.800 0.071 0.000 2.665 403 G HA2 -0.354 3.602 3.960 -0.006 0.000 0.326 403 G HA3 -0.354 3.602 3.960 -0.006 0.000 0.326 403 G C 0.287 175.114 174.900 -0.121 0.000 1.231 403 G CA 0.944 46.063 45.100 0.031 0.000 0.992 403 G HN 0.482 nan 8.290 nan 0.000 0.549 404 F N 1.372 121.405 119.950 0.139 0.000 2.664 404 F HA 0.457 4.981 4.527 -0.006 0.000 0.301 404 F C 2.396 178.219 175.800 0.039 0.000 1.126 404 F CA 0.898 58.955 58.000 0.095 0.000 1.373 404 F CB 0.159 39.236 39.000 0.128 0.000 1.042 404 F HN 0.327 nan 8.300 nan 0.000 0.535 405 M N 0.002 119.591 119.600 -0.019 0.000 2.149 405 M HA -0.113 4.363 4.480 -0.006 0.000 0.261 405 M C 2.334 178.505 176.300 -0.216 0.000 1.064 405 M CA 2.171 57.195 55.300 -0.459 0.000 1.102 405 M CB -0.406 31.648 32.600 -0.910 0.000 1.369 405 M HN 0.308 nan 8.290 nan 0.000 0.408 406 G N -0.682 108.049 108.800 -0.116 0.000 2.394 406 G HA2 -0.095 3.862 3.960 -0.006 0.000 0.215 406 G HA3 -0.095 3.862 3.960 -0.006 0.000 0.215 406 G C 1.483 176.384 174.900 0.002 0.000 1.165 406 G CA 0.713 45.773 45.100 -0.066 0.000 0.784 406 G HN 0.610 nan 8.290 nan 0.000 0.535 407 A N -0.050 122.807 122.820 0.062 0.000 1.972 407 A HA -0.083 4.234 4.320 -0.006 0.000 0.219 407 A C 2.259 179.911 177.584 0.114 0.000 1.169 407 A CA 1.985 54.091 52.037 0.115 0.000 0.635 407 A CB -0.385 18.757 19.000 0.238 0.000 0.810 407 A HN 0.388 nan 8.150 nan 0.000 0.446 408 Q N 0.040 119.920 119.800 0.133 0.000 2.079 408 Q HA -0.113 4.224 4.340 -0.006 0.000 0.200 408 Q C 2.069 178.119 176.000 0.084 0.000 0.974 408 Q CA 1.958 57.839 55.803 0.131 0.000 0.840 408 Q CB -0.231 28.635 28.738 0.213 0.000 0.898 408 Q HN 0.437 nan 8.270 nan 0.000 0.430 409 V N 0.501 120.444 119.914 0.049 0.000 2.427 409 V HA -0.196 3.921 4.120 -0.006 0.000 0.248 409 V C 2.337 178.450 176.094 0.031 0.000 1.051 409 V CA 1.990 64.309 62.300 0.031 0.000 1.048 409 V CB -0.792 31.030 31.823 -0.001 0.000 0.666 409 V HN 0.374 nan 8.190 nan 0.000 0.456 410 T N 0.527 115.099 114.554 0.031 0.000 2.720 410 T HA -0.186 4.161 4.350 -0.006 0.000 0.268 410 T C 2.073 176.796 174.700 0.038 0.000 1.037 410 T CA 1.644 63.762 62.100 0.030 0.000 1.144 410 T CB -0.394 68.492 68.868 0.030 0.000 0.864 410 T HN 0.575 nan 8.240 nan 0.000 0.444 411 A N 1.224 124.073 122.820 0.049 0.000 1.902 411 A HA -0.138 4.179 4.320 -0.006 0.000 0.217 411 A C 2.560 180.174 177.584 0.049 0.000 1.181 411 A CA 2.121 54.189 52.037 0.052 0.000 0.623 411 A CB -1.228 17.807 19.000 0.059 0.000 0.818 411 A HN 0.475 nan 8.150 nan 0.000 0.443 412 T N 0.242 114.824 114.554 0.047 0.000 2.746 412 T HA -0.003 4.343 4.350 -0.006 0.000 0.267 412 T C 2.214 176.934 174.700 0.032 0.000 1.039 412 T CA 1.518 63.642 62.100 0.040 0.000 1.142 412 T CB -0.432 68.461 68.868 0.041 0.000 0.866 412 T HN 0.601 nan 8.240 nan 0.000 0.444 413 A N 1.248 124.086 122.820 0.030 0.000 1.902 413 A HA 0.016 4.332 4.320 -0.006 0.000 0.217 413 A C 2.293 179.893 177.584 0.027 0.000 1.181 413 A CA 1.164 53.215 52.037 0.024 0.000 0.623 413 A CB -0.818 18.194 19.000 0.020 0.000 0.818 413 A HN 0.477 nan 8.150 nan 0.000 0.443 414 L N -1.177 120.066 121.223 0.033 0.000 2.046 414 L HA -0.159 4.178 4.340 -0.006 0.000 0.208 414 L C 2.562 179.455 176.870 0.039 0.000 1.077 414 L CA 1.169 56.031 54.840 0.038 0.000 0.747 414 L CB -0.524 41.564 42.059 0.047 0.000 0.896 414 L HN 0.473 nan 8.230 nan 0.000 0.432 415 L N 0.200 121.446 121.223 0.038 0.000 2.056 415 L HA -0.102 4.234 4.340 -0.006 0.000 0.207 415 L C 2.655 179.536 176.870 0.018 0.000 1.078 415 L CA 1.919 56.776 54.840 0.028 0.000 0.749 415 L CB -0.674 41.401 42.059 0.027 0.000 0.901 415 L HN 0.127 nan 8.230 nan 0.000 0.433 416 A N -0.753 122.079 122.820 0.019 0.000 1.908 416 A HA -0.300 4.016 4.320 -0.006 0.000 0.218 416 A C 2.338 179.930 177.584 0.014 0.000 1.181 416 A CA 1.983 54.029 52.037 0.015 0.000 0.627 416 A CB -0.792 18.218 19.000 0.015 0.000 0.818 416 A HN 0.637 nan 8.150 nan 0.000 0.445 417 E N -0.711 119.499 120.200 0.018 0.000 2.110 417 E HA -0.183 4.163 4.350 -0.006 0.000 0.193 417 E C 2.044 178.655 176.600 0.018 0.000 0.988 417 E CA 1.296 57.707 56.400 0.018 0.000 0.804 417 E CB -0.197 29.515 29.700 0.021 0.000 0.745 417 E HN 0.686 nan 8.360 nan 0.000 0.458 418 M N -0.047 119.565 119.600 0.019 0.000 2.108 418 M HA -0.164 4.313 4.480 -0.006 0.000 0.261 418 M C 2.295 178.600 176.300 0.008 0.000 1.066 418 M CA 1.529 56.839 55.300 0.015 0.000 1.107 418 M CB -0.176 32.430 32.600 0.010 0.000 1.356 418 M HN 0.009 nan 8.290 nan 0.000 0.406 419 R N 0.129 120.631 120.500 0.004 0.000 2.189 419 R HA -0.025 4.311 4.340 -0.006 0.000 0.223 419 R C 2.203 178.508 176.300 0.009 0.000 1.092 419 R CA 1.089 57.190 56.100 0.002 0.000 0.989 419 R CB -0.445 29.855 30.300 -0.000 0.000 0.876 419 R HN 0.372 nan 8.270 nan 0.000 0.457 420 A N 0.585 123.412 122.820 0.012 0.000 2.067 420 A HA -0.031 4.285 4.320 -0.006 0.000 0.219 420 A C 0.820 178.415 177.584 0.018 0.000 1.158 420 A CA 0.909 52.954 52.037 0.014 0.000 0.661 420 A CB 0.074 19.081 19.000 0.012 0.000 0.801 420 A HN 0.106 nan 8.150 nan 0.000 0.452 421 T N 0.252 114.818 114.554 0.020 0.000 2.767 421 T HA 0.544 4.891 4.350 -0.006 0.000 0.284 421 T C 0.456 175.178 174.700 0.037 0.000 0.973 421 T CA 0.071 62.188 62.100 0.028 0.000 0.996 421 T CB 1.496 70.380 68.868 0.027 0.000 0.927 421 T HN 0.373 nan 8.240 nan 0.000 0.456 422 G N 3.116 111.951 108.800 0.058 0.000 2.795 422 G HA2 0.668 4.625 3.960 -0.006 0.000 0.267 422 G HA3 0.668 4.625 3.960 -0.006 0.000 0.267 422 G C -2.633 172.316 174.900 0.082 0.000 1.362 422 G CA -1.620 43.518 45.100 0.065 0.000 1.048 422 G HN 0.434 nan 8.290 nan 0.000 0.547 423 P HA 0.254 nan 4.420 nan 0.000 0.266 423 P C 0.327 177.695 177.300 0.114 0.000 1.195 423 P CA 0.367 63.506 63.100 0.064 0.000 0.768 423 P CB 1.295 33.009 31.700 0.023 0.000 0.838 424 A N 1.905 124.793 122.820 0.113 0.000 2.044 424 A HA -0.033 4.283 4.320 -0.006 0.000 0.213 424 A C 2.040 179.703 177.584 0.132 0.000 1.169 424 A CA 0.965 53.109 52.037 0.178 0.000 0.724 424 A CB -0.968 18.102 19.000 0.117 0.000 0.840 424 A HN 0.475 nan 8.150 nan 0.000 0.463 425 S N 0.702 116.430 115.700 0.047 0.000 2.400 425 S HA -0.184 4.283 4.470 -0.006 0.000 0.232 425 S C 1.691 176.257 174.600 -0.056 0.000 1.025 425 S CA 1.572 59.778 58.200 0.009 0.000 0.993 425 S CB -0.703 62.502 63.200 0.007 0.000 0.808 425 S HN 0.798 nan 8.310 nan 0.000 0.478 426 I N -1.158 119.302 120.570 -0.183 0.000 3.334 426 I HA 0.033 4.199 4.170 -0.006 0.000 0.282 426 I C 0.641 176.523 176.117 -0.391 0.000 1.313 426 I CA 1.012 62.132 61.300 -0.300 0.000 1.396 426 I CB -0.380 37.393 38.000 -0.378 0.000 1.054 426 I HN 0.172 nan 8.210 nan 0.000 0.495 427 H N 1.227 120.308 119.070 0.019 0.000 2.550 427 H HA 0.324 4.878 4.556 -0.004 0.000 0.304 427 H C 0.566 175.907 175.328 0.021 0.000 1.086 427 H CA -0.261 55.798 56.048 0.019 0.000 1.089 427 H CB 0.088 29.861 29.762 0.018 0.000 1.528 427 H HN 0.293 nan 8.280 nan 0.000 0.539 428 S N 1.271 117.014 115.700 0.073 0.000 2.549 428 S HA 0.214 4.680 4.470 -0.006 0.000 0.286 428 S C 0.290 174.929 174.600 0.065 0.000 1.314 428 S CA -0.213 58.026 58.200 0.064 0.000 1.062 428 S CB 0.041 63.264 63.200 0.039 0.000 0.865 428 S HN 0.313 nan 8.310 nan 0.000 0.498 429 I N 3.224 123.831 120.570 0.061 0.000 2.533 429 I HA 0.221 4.387 4.170 -0.006 0.000 0.290 429 I C 0.047 176.191 176.117 0.044 0.000 1.056 429 I CA -0.645 60.686 61.300 0.052 0.000 1.057 429 I CB 2.137 40.168 38.000 0.052 0.000 1.240 429 I HN 0.556 nan 8.210 nan 0.000 0.423 430 S N 3.823 119.546 115.700 0.038 0.000 2.525 430 S HA 0.281 4.747 4.470 -0.006 0.000 0.285 430 S C -0.199 174.422 174.600 0.035 0.000 1.283 430 S CA 0.437 58.659 58.200 0.036 0.000 1.072 430 S CB 0.275 63.493 63.200 0.031 0.000 0.867 430 S HN 0.770 nan 8.310 nan 0.000 0.492 431 T N 3.044 117.621 114.554 0.037 0.000 2.647 431 T HA 0.415 4.761 4.350 -0.006 0.000 0.295 431 T C -0.306 174.416 174.700 0.037 0.000 1.126 431 T CA -0.096 62.025 62.100 0.036 0.000 1.040 431 T CB 0.788 69.678 68.868 0.038 0.000 1.472 431 T HN 0.904 nan 8.240 nan 0.000 0.500 432 N N 0.540 119.262 118.700 0.037 0.000 2.738 432 N HA -0.216 4.520 4.740 -0.006 0.000 0.249 432 N C 0.223 175.753 175.510 0.033 0.000 1.047 432 N CA 0.772 53.845 53.050 0.039 0.000 0.707 432 N CB -1.173 37.342 38.487 0.047 0.000 0.937 432 N HN 1.534 nan 8.380 nan 0.000 0.545 433 A N -0.939 121.896 122.820 0.026 0.000 2.791 433 A HA 0.028 4.345 4.320 -0.006 0.000 0.292 433 A C 1.323 178.922 177.584 0.025 0.000 1.487 433 A CA 1.927 53.977 52.037 0.022 0.000 0.760 433 A CB -2.313 16.698 19.000 0.019 0.000 1.031 433 A HN 2.210 nan 8.150 nan 0.000 0.503 434 A N -2.175 120.662 122.820 0.027 0.000 3.413 434 A HA -0.374 3.942 4.320 -0.006 0.000 0.268 434 A C 1.432 179.035 177.584 0.033 0.000 1.128 434 A CA 2.137 54.191 52.037 0.028 0.000 1.062 434 A CB -2.516 16.498 19.000 0.023 0.000 1.121 434 A HN 2.238 nan 8.150 nan 0.000 0.895 435 N N -0.096 118.626 118.700 0.036 0.000 2.188 435 N HA -0.096 4.641 4.740 -0.006 0.000 0.184 435 N C 0.995 176.534 175.510 0.049 0.000 1.018 435 N CA 1.884 54.959 53.050 0.041 0.000 0.858 435 N CB -0.148 38.367 38.487 0.046 0.000 0.989 435 N HN 0.760 nan 8.380 nan 0.000 0.426 436 Q N 0.406 120.235 119.800 0.049 0.000 3.008 436 Q HA 0.077 4.413 4.340 -0.006 0.000 0.307 436 Q C -0.479 175.553 176.000 0.054 0.000 1.273 436 Q CA -0.309 55.529 55.803 0.059 0.000 1.091 436 Q CB 0.617 29.385 28.738 0.051 0.000 1.393 436 Q HN 0.489 nan 8.270 nan 0.000 0.521 437 D N -0.489 119.940 120.400 0.049 0.000 2.348 437 D HA -0.076 4.560 4.640 -0.006 0.000 0.216 437 D C 0.645 176.970 176.300 0.042 0.000 0.970 437 D CA 0.411 54.436 54.000 0.041 0.000 0.889 437 D CB 0.098 40.918 40.800 0.033 0.000 0.912 437 D HN 0.197 nan 8.370 nan 0.000 0.524 438 V N -1.847 118.097 119.914 0.051 0.000 2.733 438 V HA 0.738 4.854 4.120 -0.006 0.000 0.306 438 V C -0.456 175.678 176.094 0.066 0.000 1.084 438 V CA -1.194 61.135 62.300 0.049 0.000 0.905 438 V CB 1.837 33.684 31.823 0.039 0.000 1.010 438 V HN 0.091 nan 8.190 nan 0.000 0.424 439 V N 1.233 121.185 119.914 0.063 0.000 2.962 439 V HA 0.793 4.910 4.120 -0.006 0.000 0.313 439 V C 1.076 177.209 176.094 0.065 0.000 1.099 439 V CA 0.254 62.599 62.300 0.075 0.000 0.971 439 V CB 1.476 33.341 31.823 0.070 0.000 1.028 439 V HN 1.311 nan 8.190 nan 0.000 0.430 440 S N 2.147 117.890 115.700 0.072 0.000 2.425 440 S HA 0.110 4.577 4.470 -0.006 0.000 0.225 440 S C 1.114 175.747 174.600 0.055 0.000 1.024 440 S CA 1.038 59.272 58.200 0.057 0.000 0.951 440 S CB -0.850 62.387 63.200 0.061 0.000 0.796 440 S HN 1.375 nan 8.310 nan 0.000 0.498 441 L N 0.421 121.680 121.223 0.061 0.000 4.040 441 L HA -0.194 4.143 4.340 -0.006 0.000 0.410 441 L C 1.483 178.387 176.870 0.056 0.000 1.187 441 L CA 0.008 54.885 54.840 0.061 0.000 0.956 441 L CB -2.285 39.819 42.059 0.076 0.000 2.022 441 L HN 0.530 nan 8.230 nan 0.000 0.897 442 G N -0.384 108.446 108.800 0.051 0.000 2.432 442 G HA2 -0.194 3.763 3.960 -0.006 0.000 0.219 442 G HA3 -0.194 3.763 3.960 -0.006 0.000 0.219 442 G C 1.283 176.209 174.900 0.043 0.000 1.135 442 G CA 1.353 46.479 45.100 0.044 0.000 0.767 442 G HN 0.477 nan 8.290 nan 0.000 0.550 443 T N 1.258 115.836 114.554 0.041 0.000 2.821 443 T HA -0.005 4.342 4.350 -0.006 0.000 0.267 443 T C 2.368 177.091 174.700 0.038 0.000 1.046 443 T CA 0.871 62.992 62.100 0.035 0.000 1.139 443 T CB -0.094 68.791 68.868 0.029 0.000 0.871 443 T HN 0.274 nan 8.240 nan 0.000 0.454 444 I N 1.568 122.163 120.570 0.042 0.000 2.252 444 I HA -0.115 4.051 4.170 -0.006 0.000 0.245 444 I C 3.026 179.174 176.117 0.052 0.000 1.102 444 I CA 0.977 62.303 61.300 0.044 0.000 1.385 444 I CB -0.536 37.492 38.000 0.048 0.000 1.064 444 I HN 0.207 nan 8.210 nan 0.000 0.414 445 A N 0.908 123.763 122.820 0.058 0.000 1.883 445 A HA -0.208 4.109 4.320 -0.006 0.000 0.217 445 A C 2.540 180.162 177.584 0.064 0.000 1.186 445 A CA 2.072 54.146 52.037 0.062 0.000 0.624 445 A CB -0.880 18.156 19.000 0.060 0.000 0.822 445 A HN 0.434 nan 8.150 nan 0.000 0.444 446 A N -0.542 122.316 122.820 0.063 0.000 1.930 446 A HA -0.122 4.194 4.320 -0.006 0.000 0.217 446 A C 2.245 179.869 177.584 0.066 0.000 1.175 446 A CA 1.468 53.549 52.037 0.073 0.000 0.627 446 A CB -0.419 18.622 19.000 0.069 0.000 0.815 446 A HN 0.545 nan 8.150 nan 0.000 0.443 447 R N -0.530 120.002 120.500 0.054 0.000 2.092 447 R HA 0.021 4.358 4.340 -0.006 0.000 0.231 447 R C 1.962 178.292 176.300 0.049 0.000 1.119 447 R CA 1.297 57.426 56.100 0.048 0.000 0.970 447 R CB -0.428 29.894 30.300 0.036 0.000 0.864 447 R HN 0.502 nan 8.270 nan 0.000 0.440 448 L N -0.347 120.906 121.223 0.049 0.000 2.141 448 L HA -0.204 4.133 4.340 -0.006 0.000 0.209 448 L C 2.708 179.609 176.870 0.051 0.000 1.094 448 L CA 0.663 55.532 54.840 0.047 0.000 0.763 448 L CB -0.489 41.599 42.059 0.048 0.000 0.908 448 L HN 0.371 nan 8.230 nan 0.000 0.437 449 C N 0.380 119.714 119.300 0.057 0.000 2.446 449 C HA -0.150 4.306 4.460 -0.006 0.000 0.277 449 C C 3.101 178.132 174.990 0.068 0.000 1.275 449 C CA 0.861 59.913 59.018 0.057 0.000 1.727 449 C CB -0.511 27.264 27.740 0.060 0.000 2.010 449 C HN 0.499 nan 8.230 nan 0.000 0.486 450 R N 1.283 121.827 120.500 0.073 0.000 2.091 450 R HA -0.081 4.255 4.340 -0.006 0.000 0.238 450 R C 2.083 178.431 176.300 0.081 0.000 1.136 450 R CA 1.954 58.103 56.100 0.082 0.000 0.959 450 R CB -0.838 29.507 30.300 0.076 0.000 0.856 450 R HN 0.535 nan 8.270 nan 0.000 0.437 451 E N 0.711 120.951 120.200 0.067 0.000 2.077 451 E HA -0.166 4.180 4.350 -0.006 0.000 0.193 451 E C 1.838 178.482 176.600 0.073 0.000 0.989 451 E CA 1.347 57.784 56.400 0.062 0.000 0.800 451 E CB -0.104 29.625 29.700 0.048 0.000 0.746 451 E HN 0.432 nan 8.360 nan 0.000 0.452 452 K N 0.286 120.730 120.400 0.073 0.000 2.097 452 K HA -0.024 4.292 4.320 -0.006 0.000 0.205 452 K C 2.301 178.989 176.600 0.147 0.000 1.050 452 K CA 0.748 57.083 56.287 0.080 0.000 0.938 452 K CB -0.115 32.411 32.500 0.042 0.000 0.718 452 K HN 0.096 nan 8.250 nan 0.000 0.442 453 I N 1.471 122.141 120.570 0.166 0.000 2.286 453 I HA -0.277 3.889 4.170 -0.006 0.000 0.248 453 I C 1.597 177.837 176.117 0.205 0.000 1.115 453 I CA 1.159 62.613 61.300 0.257 0.000 1.392 453 I CB -0.234 37.886 38.000 0.200 0.000 1.065 453 I HN 0.132 nan 8.210 nan 0.000 0.418 454 D N 0.566 121.045 120.400 0.131 0.000 2.144 454 D HA -0.124 4.513 4.640 -0.006 0.000 0.199 454 D C 2.335 178.691 176.300 0.092 0.000 0.984 454 D CA 0.901 54.954 54.000 0.088 0.000 0.834 454 D CB -0.194 40.646 40.800 0.067 0.000 0.955 454 D HN 0.179 nan 8.370 nan 0.000 0.465 455 R N -0.092 120.478 120.500 0.117 0.000 2.092 455 R HA -0.111 4.225 4.340 -0.006 0.000 0.231 455 R C 2.129 178.539 176.300 0.184 0.000 1.119 455 R CA 0.452 56.621 56.100 0.115 0.000 0.970 455 R CB -1.009 29.349 30.300 0.097 0.000 0.864 455 R HN 0.344 nan 8.270 nan 0.000 0.440 456 W N 1.894 123.196 121.300 0.003 0.000 2.358 456 W HA -0.086 4.570 4.660 -0.006 0.000 0.303 456 W C 2.094 178.605 176.519 -0.013 0.000 1.208 456 W CA 1.411 58.758 57.345 0.003 0.000 1.274 456 W CB -0.641 28.828 29.460 0.015 0.000 1.138 456 W HN 0.130 nan 8.180 nan 0.000 0.515 457 A N 0.112 122.938 122.820 0.011 0.000 1.933 457 A HA -0.219 4.097 4.320 -0.006 0.000 0.218 457 A C 1.869 179.370 177.584 -0.139 0.000 1.175 457 A CA 1.950 53.875 52.037 -0.187 0.000 0.628 457 A CB -0.738 18.175 19.000 -0.144 0.000 0.814 457 A HN 0.462 nan 8.150 nan 0.000 0.444 458 E N -0.415 119.761 120.200 -0.040 0.000 2.107 458 E HA -0.084 4.263 4.350 -0.006 0.000 0.191 458 E C 1.823 178.409 176.600 -0.024 0.000 0.982 458 E CA 1.059 57.437 56.400 -0.037 0.000 0.809 458 E CB -0.221 29.481 29.700 0.004 0.000 0.756 458 E HN 0.700 nan 8.360 nan 0.000 0.459 459 I N 0.809 121.400 120.570 0.035 0.000 2.252 459 I HA -0.265 3.902 4.170 -0.006 0.000 0.245 459 I C 2.204 178.333 176.117 0.019 0.000 1.102 459 I CA 0.930 62.268 61.300 0.063 0.000 1.385 459 I CB -0.122 37.969 38.000 0.152 0.000 1.064 459 I HN 0.112 nan 8.210 nan 0.000 0.414 460 L N 0.428 121.631 121.223 -0.032 0.000 2.083 460 L HA -0.194 4.143 4.340 -0.006 0.000 0.209 460 L C 2.826 179.588 176.870 -0.179 0.000 1.083 460 L CA 1.227 56.001 54.840 -0.110 0.000 0.752 460 L CB -0.656 41.240 42.059 -0.271 0.000 0.899 460 L HN 0.243 nan 8.230 nan 0.000 0.433 461 A N 0.293 122.979 122.820 -0.224 0.000 1.902 461 A HA -0.188 4.129 4.320 -0.006 0.000 0.217 461 A C 2.201 179.672 177.584 -0.188 0.000 1.181 461 A CA 1.543 53.415 52.037 -0.274 0.000 0.623 461 A CB -0.625 18.221 19.000 -0.257 0.000 0.818 461 A HN 0.360 nan 8.150 nan 0.000 0.443 462 I N -0.918 119.590 120.570 -0.103 0.000 2.252 462 I HA -0.215 3.951 4.170 -0.006 0.000 0.245 462 I C 2.404 178.467 176.117 -0.089 0.000 1.102 462 I CA 1.129 62.399 61.300 -0.051 0.000 1.385 462 I CB -0.255 37.749 38.000 0.006 0.000 1.064 462 I HN 0.387 nan 8.210 nan 0.000 0.414 463 L N 1.212 122.392 121.223 -0.071 0.000 2.083 463 L HA -0.135 4.202 4.340 -0.006 0.000 0.209 463 L C 2.522 179.339 176.870 -0.088 0.000 1.083 463 L CA 2.069 56.870 54.840 -0.065 0.000 0.752 463 L CB -0.794 41.263 42.059 -0.002 0.000 0.899 463 L HN 0.182 nan 8.230 nan 0.000 0.433 464 A N -0.583 122.180 122.820 -0.095 0.000 1.902 464 A HA -0.149 4.167 4.320 -0.006 0.000 0.217 464 A C 2.247 179.771 177.584 -0.101 0.000 1.181 464 A CA 1.935 53.927 52.037 -0.075 0.000 0.623 464 A CB -0.836 18.075 19.000 -0.149 0.000 0.818 464 A HN 0.500 nan 8.150 nan 0.000 0.443 465 L N -1.061 120.075 121.223 -0.146 0.000 2.141 465 L HA -0.197 4.139 4.340 -0.006 0.000 0.209 465 L C 2.642 179.355 176.870 -0.261 0.000 1.094 465 L CA 0.906 55.692 54.840 -0.090 0.000 0.763 465 L CB -0.602 41.481 42.059 0.039 0.000 0.908 465 L HN 0.475 nan 8.230 nan 0.000 0.437 466 C N -0.215 118.789 119.300 -0.493 0.000 2.446 466 C HA -0.111 4.346 4.460 -0.006 0.000 0.277 466 C C 2.721 177.505 174.990 -0.342 0.000 1.275 466 C CA 0.440 59.000 59.018 -0.764 0.000 1.727 466 C CB -0.651 26.761 27.740 -0.548 0.000 2.010 466 C HN 0.430 nan 8.230 nan 0.000 0.486 467 L N 0.829 121.947 121.223 -0.174 0.000 2.141 467 L HA -0.106 4.230 4.340 -0.006 0.000 0.209 467 L C 2.831 179.684 176.870 -0.027 0.000 1.094 467 L CA 1.362 56.162 54.840 -0.068 0.000 0.763 467 L CB -0.646 41.407 42.059 -0.010 0.000 0.908 467 L HN 0.332 nan 8.230 nan 0.000 0.437 468 A N -0.319 122.491 122.820 -0.016 0.000 1.902 468 A HA -0.279 4.038 4.320 -0.006 0.000 0.217 468 A C 2.207 179.818 177.584 0.045 0.000 1.181 468 A CA 1.870 53.929 52.037 0.037 0.000 0.623 468 A CB -0.458 18.582 19.000 0.068 0.000 0.818 468 A HN 0.408 nan 8.150 nan 0.000 0.443 469 Q N -0.336 119.487 119.800 0.038 0.000 2.046 469 Q HA 0.005 4.341 4.340 -0.006 0.000 0.200 469 Q C 2.091 178.114 176.000 0.039 0.000 0.975 469 Q CA 2.033 57.890 55.803 0.090 0.000 0.836 469 Q CB -0.508 28.356 28.738 0.211 0.000 0.896 469 Q HN 0.538 nan 8.270 nan 0.000 0.428 470 A N 0.496 123.307 122.820 -0.016 0.000 1.908 470 A HA -0.121 4.196 4.320 -0.006 0.000 0.218 470 A C 2.309 179.895 177.584 0.003 0.000 1.181 470 A CA 1.885 53.914 52.037 -0.015 0.000 0.627 470 A CB -1.276 17.700 19.000 -0.040 0.000 0.818 470 A HN 0.554 nan 8.150 nan 0.000 0.445 471 A N -0.045 122.781 122.820 0.011 0.000 1.883 471 A HA -0.211 4.105 4.320 -0.006 0.000 0.217 471 A C 1.920 179.518 177.584 0.023 0.000 1.186 471 A CA 1.756 53.805 52.037 0.020 0.000 0.624 471 A CB -0.596 18.422 19.000 0.030 0.000 0.822 471 A HN 0.657 nan 8.150 nan 0.000 0.444 472 E N -0.272 119.945 120.200 0.030 0.000 2.106 472 E HA -0.096 4.250 4.350 -0.006 0.000 0.192 472 E C 1.929 178.542 176.600 0.021 0.000 0.984 472 E CA 0.966 57.384 56.400 0.030 0.000 0.806 472 E CB -0.266 29.459 29.700 0.042 0.000 0.750 472 E HN 0.617 nan 8.360 nan 0.000 0.458 473 L N 0.407 121.640 121.223 0.017 0.000 2.093 473 L HA -0.136 4.200 4.340 -0.006 0.000 0.208 473 L C 2.626 179.495 176.870 -0.001 0.000 1.085 473 L CA 0.880 55.722 54.840 0.004 0.000 0.755 473 L CB -0.122 41.935 42.059 -0.004 0.000 0.904 473 L HN 0.013 nan 8.230 nan 0.000 0.435 474 R N -0.435 120.067 120.500 0.002 0.000 2.080 474 R HA -0.030 4.307 4.340 -0.006 0.000 0.222 474 R C 1.784 178.087 176.300 0.005 0.000 1.107 474 R CA 1.508 57.609 56.100 0.001 0.000 0.980 474 R CB -0.336 29.965 30.300 0.002 0.000 0.879 474 R HN 0.327 nan 8.270 nan 0.000 0.439 475 C N 0.075 119.381 119.300 0.010 0.000 3.183 475 C HA 0.653 5.110 4.460 -0.006 0.000 0.285 475 C C 0.666 175.664 174.990 0.013 0.000 1.313 475 C CA -0.260 58.765 59.018 0.012 0.000 1.711 475 C CB -0.682 27.068 27.740 0.015 0.000 2.135 475 C HN 0.739 nan 8.230 nan 0.000 0.651 476 G N 1.652 110.459 108.800 0.013 0.000 2.746 476 G HA2 -0.153 3.804 3.960 -0.006 0.000 0.685 476 G HA3 -0.153 3.804 3.960 -0.006 0.000 0.685 476 G C 0.719 175.630 174.900 0.019 0.000 1.350 476 G CA 0.091 45.200 45.100 0.014 0.000 0.837 476 G HN 0.775 nan 8.290 nan 0.000 0.564 477 S N -0.933 114.779 115.700 0.020 0.000 2.440 477 S HA 0.080 4.547 4.470 -0.006 0.000 0.238 477 S C 2.280 176.894 174.600 0.023 0.000 1.010 477 S CA 1.861 60.075 58.200 0.023 0.000 0.972 477 S CB -0.107 63.106 63.200 0.022 0.000 0.774 477 S HN 2.166 nan 8.310 nan 0.000 0.501 478 G N 0.675 109.486 108.800 0.019 0.000 2.985 478 G HA2 0.406 4.363 3.960 -0.006 0.000 0.209 478 G HA3 0.406 4.363 3.960 -0.006 0.000 0.209 478 G C 0.492 175.404 174.900 0.020 0.000 1.165 478 G CA -0.271 44.840 45.100 0.018 0.000 0.776 478 G HN 0.575 nan 8.290 nan 0.000 0.541 479 L N 1.029 122.265 121.223 0.021 0.000 3.739 479 L HA -0.151 4.185 4.340 -0.006 0.000 0.442 479 L C -0.823 176.058 176.870 0.019 0.000 1.241 479 L CA -0.072 54.781 54.840 0.022 0.000 0.819 479 L CB -1.627 40.448 42.059 0.026 0.000 1.679 479 L HN 0.219 nan 8.230 nan 0.000 0.889 480 D N 1.372 121.782 120.400 0.016 0.000 2.450 480 D HA 0.285 4.922 4.640 -0.006 0.000 0.247 480 D C 1.367 177.676 176.300 0.014 0.000 1.162 480 D CA 1.350 55.358 54.000 0.014 0.000 0.879 480 D CB 1.296 42.103 40.800 0.012 0.000 1.163 480 D HN 0.536 nan 8.370 nan 0.000 0.472 481 G N 1.457 110.265 108.800 0.014 0.000 2.217 481 G HA2 -0.281 3.675 3.960 -0.006 0.000 0.246 481 G HA3 -0.281 3.675 3.960 -0.006 0.000 0.246 481 G C 0.454 175.364 174.900 0.017 0.000 0.990 481 G CA 0.067 45.175 45.100 0.014 0.000 0.627 481 G HN 0.520 nan 8.290 nan 0.000 0.522 482 V N 2.704 122.630 119.914 0.020 0.000 2.715 482 V HA 0.484 4.600 4.120 -0.006 0.000 0.299 482 V C 1.494 177.603 176.094 0.024 0.000 1.054 482 V CA 0.176 62.491 62.300 0.025 0.000 1.077 482 V CB 1.341 33.181 31.823 0.027 0.000 0.972 482 V HN 1.096 nan 8.190 nan 0.000 0.484 483 S N 5.144 120.861 115.700 0.029 0.000 2.569 483 S HA 0.112 4.578 4.470 -0.006 0.000 0.274 483 S C -1.670 172.943 174.600 0.022 0.000 1.353 483 S CA -0.593 57.623 58.200 0.027 0.000 1.023 483 S CB 0.461 63.682 63.200 0.035 0.000 0.876 483 S HN 0.584 nan 8.310 nan 0.000 0.540 484 P HA -0.059 nan 4.420 nan 0.000 0.215 484 P C 1.594 178.899 177.300 0.009 0.000 1.153 484 P CA 1.941 65.048 63.100 0.012 0.000 0.853 484 P CB -0.228 31.477 31.700 0.008 0.000 0.788 485 A N -0.300 122.524 122.820 0.006 0.000 1.898 485 A HA -0.042 4.274 4.320 -0.006 0.000 0.216 485 A C 2.487 180.071 177.584 0.001 0.000 1.181 485 A CA 1.973 54.006 52.037 -0.006 0.000 0.620 485 A CB -1.851 17.140 19.000 -0.015 0.000 0.819 485 A HN 0.266 nan 8.150 nan 0.000 0.442 486 G N -0.268 108.543 108.800 0.018 0.000 2.418 486 G HA2 -0.229 3.727 3.960 -0.006 0.000 0.217 486 G HA3 -0.229 3.727 3.960 -0.006 0.000 0.217 486 G C 1.685 176.606 174.900 0.034 0.000 1.158 486 G CA 1.132 46.250 45.100 0.030 0.000 0.771 486 G HN 0.566 nan 8.290 nan 0.000 0.545 487 K N 0.191 120.609 120.400 0.029 0.000 2.026 487 K HA -0.057 4.259 4.320 -0.006 0.000 0.208 487 K C 2.451 179.071 176.600 0.034 0.000 1.048 487 K CA 1.325 57.630 56.287 0.031 0.000 0.929 487 K CB -0.156 32.359 32.500 0.025 0.000 0.713 487 K HN 0.241 nan 8.250 nan 0.000 0.439 488 K N 1.365 121.779 120.400 0.025 0.000 2.063 488 K HA -0.151 4.165 4.320 -0.006 0.000 0.208 488 K C 2.151 178.774 176.600 0.040 0.000 1.048 488 K CA 1.062 57.364 56.287 0.025 0.000 0.928 488 K CB -0.098 32.407 32.500 0.008 0.000 0.713 488 K HN 0.111 nan 8.250 nan 0.000 0.442 489 L N 0.532 121.777 121.223 0.038 0.000 2.027 489 L HA -0.170 4.166 4.340 -0.006 0.000 0.206 489 L C 2.080 179.020 176.870 0.117 0.000 1.074 489 L CA 1.111 55.994 54.840 0.072 0.000 0.745 489 L CB -0.160 41.929 42.059 0.049 0.000 0.898 489 L HN 0.021 nan 8.230 nan 0.000 0.433 490 V N -0.039 119.930 119.914 0.092 0.000 2.343 490 V HA -0.323 3.793 4.120 -0.006 0.000 0.247 490 V C 2.473 178.622 176.094 0.091 0.000 1.051 490 V CA 2.063 64.419 62.300 0.093 0.000 1.036 490 V CB -0.677 31.189 31.823 0.070 0.000 0.654 490 V HN 0.549 nan 8.190 nan 0.000 0.451 491 Q N -0.134 119.709 119.800 0.072 0.000 2.096 491 Q HA -0.192 4.145 4.340 -0.006 0.000 0.204 491 Q C 2.409 178.452 176.000 0.071 0.000 0.982 491 Q CA 1.844 57.684 55.803 0.061 0.000 0.850 491 Q CB -0.441 28.324 28.738 0.045 0.000 0.901 491 Q HN 0.686 nan 8.270 nan 0.000 0.422 492 A N 0.718 123.591 122.820 0.087 0.000 1.898 492 A HA -0.142 4.174 4.320 -0.006 0.000 0.216 492 A C 2.049 179.708 177.584 0.126 0.000 1.181 492 A CA 1.013 53.109 52.037 0.099 0.000 0.620 492 A CB -0.593 18.484 19.000 0.128 0.000 0.819 492 A HN 0.285 nan 8.150 nan 0.000 0.442 493 L N -1.090 120.234 121.223 0.170 0.000 2.056 493 L HA -0.132 4.204 4.340 -0.006 0.000 0.207 493 L C 2.650 179.667 176.870 0.244 0.000 1.078 493 L CA 0.892 55.876 54.840 0.240 0.000 0.749 493 L CB -0.399 41.778 42.059 0.196 0.000 0.901 493 L HN 0.261 nan 8.230 nan 0.000 0.433 494 R N 0.295 120.884 120.500 0.149 0.000 2.285 494 R HA -0.126 4.210 4.340 -0.006 0.000 0.213 494 R C 1.844 178.169 176.300 0.042 0.000 1.068 494 R CA 0.692 56.855 56.100 0.106 0.000 1.004 494 R CB -0.348 30.000 30.300 0.080 0.000 0.873 494 R HN 0.530 nan 8.270 nan 0.000 0.467 495 E N 0.051 120.266 120.200 0.025 0.000 2.150 495 E HA -0.150 4.196 4.350 -0.006 0.000 0.193 495 E C 1.415 177.946 176.600 -0.114 0.000 0.985 495 E CA 0.859 57.241 56.400 -0.029 0.000 0.814 495 E CB 0.268 29.955 29.700 -0.021 0.000 0.752 495 E HN 0.228 nan 8.360 nan 0.000 0.466 496 Q N -1.299 118.380 119.800 -0.200 0.000 2.245 496 Q HA 0.135 4.472 4.340 -0.006 0.000 0.250 496 Q C -0.440 175.070 176.000 -0.817 0.000 0.830 496 Q CA 0.236 55.715 55.803 -0.541 0.000 0.950 496 Q CB 0.970 29.240 28.738 -0.781 0.000 1.124 496 Q HN 0.112 nan 8.270 nan 0.000 0.502 497 F N 2.072 122.013 119.950 -0.015 0.000 2.430 497 F HA 0.423 4.946 4.527 -0.006 0.000 0.362 497 F C -2.165 173.647 175.800 0.020 0.000 1.103 497 F CA -2.561 55.440 58.000 0.002 0.000 1.045 497 F CB 1.354 40.358 39.000 0.007 0.000 1.276 497 F HN -0.200 nan 8.300 nan 0.000 0.444 498 P HA 0.113 nan 4.420 nan 0.000 0.269 498 P C -2.310 175.059 177.300 0.115 0.000 1.215 498 P CA -0.877 62.273 63.100 0.084 0.000 0.780 498 P CB 0.008 31.731 31.700 0.038 0.000 0.898 499 P HA 0.024 nan 4.420 nan 0.000 0.271 499 P C -0.580 176.770 177.300 0.085 0.000 1.233 499 P CA -0.073 63.093 63.100 0.109 0.000 0.789 499 P CB 0.481 32.231 31.700 0.083 0.000 0.951 500 L N 1.802 123.080 121.223 0.092 0.000 2.449 500 L HA 0.158 4.494 4.340 -0.006 0.000 0.255 500 L C 1.367 178.247 176.870 0.017 0.000 1.167 500 L CA 0.355 55.197 54.840 0.003 0.000 1.090 500 L CB -0.888 41.088 42.059 -0.139 0.000 1.385 500 L HN 0.295 nan 8.230 nan 0.000 0.411 501 E N 0.499 120.710 120.200 0.020 0.000 2.152 501 E HA -0.032 4.314 4.350 -0.006 0.000 0.192 501 E C 0.318 176.931 176.600 0.022 0.000 0.983 501 E CA 0.769 57.184 56.400 0.025 0.000 0.818 501 E CB 0.300 30.013 29.700 0.022 0.000 0.758 501 E HN 0.571 nan 8.360 nan 0.000 0.467 502 T N -0.071 114.484 114.554 0.001 0.000 2.868 502 T HA 0.111 4.458 4.350 -0.006 0.000 0.306 502 T C -1.798 172.880 174.700 -0.036 0.000 1.224 502 T CA -1.023 61.076 62.100 -0.002 0.000 1.012 502 T CB 1.339 70.207 68.868 0.000 0.000 1.221 502 T HN -0.228 nan 8.240 nan 0.000 0.499 503 D N 2.918 123.293 120.400 -0.041 0.000 2.531 503 D HA 0.293 4.929 4.640 -0.006 0.000 0.239 503 D C 0.586 176.845 176.300 -0.069 0.000 1.144 503 D CA 0.675 54.631 54.000 -0.074 0.000 0.869 503 D CB 0.328 41.091 40.800 -0.062 0.000 1.160 503 D HN 0.643 nan 8.370 nan 0.000 0.484 504 R N 0.824 121.269 120.500 -0.091 0.000 2.734 504 R HA 0.660 4.997 4.340 -0.006 0.000 0.271 504 R C -3.109 173.151 176.300 -0.067 0.000 1.021 504 R CA -1.743 54.319 56.100 -0.064 0.000 0.893 504 R CB 0.357 30.628 30.300 -0.048 0.000 1.244 504 R HN -0.011 nan 8.270 nan 0.000 0.464 505 P HA 0.165 nan 4.420 nan 0.000 0.271 505 P C -0.327 176.960 177.300 -0.020 0.000 1.220 505 P CA -0.292 62.790 63.100 -0.030 0.000 0.768 505 P CB 0.629 32.319 31.700 -0.017 0.000 0.848 506 L N 1.596 122.808 121.223 -0.018 0.000 2.731 506 L HA 0.187 4.524 4.340 -0.006 0.000 0.240 506 L C 2.264 179.148 176.870 0.023 0.000 1.120 506 L CA 0.328 55.172 54.840 0.006 0.000 0.913 506 L CB -0.223 41.835 42.059 -0.002 0.000 1.213 506 L HN 0.530 nan 8.230 nan 0.000 0.515 507 G N 0.071 108.879 108.800 0.014 0.000 2.476 507 G HA2 -0.297 3.659 3.960 -0.006 0.000 0.218 507 G HA3 -0.297 3.659 3.960 -0.006 0.000 0.218 507 G C 1.410 176.325 174.900 0.025 0.000 1.164 507 G CA 0.684 45.793 45.100 0.016 0.000 0.768 507 G HN 0.355 nan 8.290 nan 0.000 0.560 508 Q N -0.199 119.621 119.800 0.033 0.000 2.119 508 Q HA -0.071 4.265 4.340 -0.006 0.000 0.201 508 Q C 2.553 178.603 176.000 0.084 0.000 0.972 508 Q CA 1.270 57.101 55.803 0.046 0.000 0.847 508 Q CB -0.084 28.678 28.738 0.039 0.000 0.903 508 Q HN 0.619 nan 8.270 nan 0.000 0.433 509 E N 0.431 120.700 120.200 0.114 0.000 2.106 509 E HA -0.152 4.194 4.350 -0.006 0.000 0.192 509 E C 1.946 178.573 176.600 0.045 0.000 0.984 509 E CA 0.755 57.284 56.400 0.215 0.000 0.806 509 E CB -0.011 29.849 29.700 0.267 0.000 0.750 509 E HN 0.336 nan 8.360 nan 0.000 0.458 510 I N 1.103 121.668 120.570 -0.009 0.000 2.179 510 I HA -0.291 3.875 4.170 -0.006 0.000 0.242 510 I C 2.544 178.627 176.117 -0.057 0.000 1.088 510 I CA 1.022 62.281 61.300 -0.068 0.000 1.357 510 I CB -0.316 37.669 38.000 -0.025 0.000 1.051 510 I HN 0.097 nan 8.210 nan 0.000 0.409 511 A N 0.730 123.547 122.820 -0.006 0.000 1.877 511 A HA -0.182 4.134 4.320 -0.006 0.000 0.216 511 A C 2.549 180.143 177.584 0.017 0.000 1.186 511 A CA 1.954 53.993 52.037 0.003 0.000 0.620 511 A CB -0.908 18.103 19.000 0.019 0.000 0.822 511 A HN 0.437 nan 8.150 nan 0.000 0.443 512 A N -0.612 122.247 122.820 0.064 0.000 1.877 512 A HA -0.051 4.266 4.320 -0.006 0.000 0.216 512 A C 2.145 179.798 177.584 0.114 0.000 1.186 512 A CA 1.801 53.912 52.037 0.123 0.000 0.620 512 A CB -0.658 18.479 19.000 0.228 0.000 0.822 512 A HN 0.673 nan 8.150 nan 0.000 0.443 513 L N -0.213 121.007 121.223 -0.005 0.000 2.046 513 L HA -0.040 4.296 4.340 -0.006 0.000 0.208 513 L C 2.689 179.458 176.870 -0.169 0.000 1.077 513 L CA 2.107 56.831 54.840 -0.192 0.000 0.747 513 L CB -0.898 40.786 42.059 -0.626 0.000 0.896 513 L HN 0.359 nan 8.230 nan 0.000 0.432 514 A N -1.587 121.139 122.820 -0.156 0.000 1.908 514 A HA -0.249 4.068 4.320 -0.006 0.000 0.218 514 A C 2.279 179.801 177.584 -0.104 0.000 1.181 514 A CA 2.431 54.374 52.037 -0.157 0.000 0.627 514 A CB -1.256 17.685 19.000 -0.098 0.000 0.818 514 A HN 0.512 nan 8.150 nan 0.000 0.445 515 T N -1.520 113.016 114.554 -0.030 0.000 2.788 515 T HA -0.163 4.183 4.350 -0.006 0.000 0.268 515 T C 1.852 176.560 174.700 0.013 0.000 1.044 515 T CA 1.905 64.009 62.100 0.007 0.000 1.139 515 T CB -0.385 68.508 68.868 0.041 0.000 0.867 515 T HN 0.822 nan 8.240 nan 0.000 0.454 516 H N 1.079 120.106 119.070 -0.072 0.000 2.326 516 H HA 0.115 4.667 4.556 -0.006 0.000 0.301 516 H C 2.010 177.263 175.328 -0.126 0.000 1.081 516 H CA 1.214 57.225 56.048 -0.063 0.000 1.334 516 H CB -0.485 29.261 29.762 -0.025 0.000 1.385 516 H HN 0.237 nan 8.280 nan 0.000 0.504 517 L N -0.011 121.025 121.223 -0.311 0.000 2.127 517 L HA -0.176 4.160 4.340 -0.006 0.000 0.211 517 L C 2.331 179.041 176.870 -0.266 0.000 1.089 517 L CA 1.019 55.534 54.840 -0.542 0.000 0.757 517 L CB -0.491 41.067 42.059 -0.835 0.000 0.899 517 L HN 0.336 nan 8.230 nan 0.000 0.434 518 L N -0.852 120.259 121.223 -0.186 0.000 2.291 518 L HA -0.161 4.175 4.340 -0.006 0.000 0.214 518 L C 2.309 179.152 176.870 -0.045 0.000 1.120 518 L CA 1.007 55.806 54.840 -0.069 0.000 0.799 518 L CB -0.209 41.842 42.059 -0.013 0.000 0.925 518 L HN 0.369 nan 8.230 nan 0.000 0.446 519 Q N -1.487 118.198 119.800 -0.192 0.000 2.378 519 Q HA 0.168 4.505 4.340 -0.006 0.000 0.229 519 Q C 0.074 175.640 176.000 -0.723 0.000 0.882 519 Q CA 0.142 55.794 55.803 -0.253 0.000 0.936 519 Q CB 0.950 29.640 28.738 -0.079 0.000 1.092 519 Q HN 0.454 nan 8.270 nan 0.000 0.535 520 Q N -0.386 118.954 119.800 -0.766 0.000 2.421 520 Q HA 0.484 4.820 4.340 -0.006 0.000 0.280 520 Q C -1.243 174.611 176.000 -0.243 0.000 1.085 520 Q CA -0.457 54.958 55.803 -0.648 0.000 0.807 520 Q CB 2.707 31.204 28.738 -0.401 0.000 1.405 520 Q HN -0.074 nan 8.270 nan 0.000 0.419 521 S N 1.672 117.310 115.700 -0.104 0.000 2.681 521 S HA 0.559 5.026 4.470 -0.006 0.000 0.299 521 S C -2.426 171.935 174.600 -0.397 0.000 1.113 521 S CA -1.179 56.904 58.200 -0.194 0.000 1.013 521 S CB 1.091 64.242 63.200 -0.081 0.000 1.076 521 S HN 0.429 nan 8.310 nan 0.000 0.534 522 P HA 0.237 nan 4.420 nan 0.000 0.256 522 P C -0.538 176.546 177.300 -0.360 0.000 1.689 522 P CA -0.178 62.492 63.100 -0.717 0.000 1.124 522 P CB -0.176 30.789 31.700 -1.224 0.000 1.766 523 V N 0.000 119.798 119.914 -0.194 0.000 2.409 523 V HA 0.000 4.116 4.120 -0.006 0.000 0.244 523 V CA 0.000 62.228 62.300 -0.121 0.000 1.235 523 V CB 0.000 31.772 31.823 -0.085 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556