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 2o7b_1_C DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV 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 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.513 32.500 0.022 0.000 1.064 9 P HA 0.183 nan 4.420 nan 0.000 0.269 9 P C -1.449 175.860 177.300 0.015 0.000 1.217 9 P CA -0.429 62.682 63.100 0.019 0.000 0.783 9 P CB 0.772 32.487 31.700 0.024 0.000 0.898 10 A N 1.080 123.907 122.820 0.012 0.000 2.371 10 A HA 0.561 4.883 4.320 0.003 0.000 0.311 10 A C -1.037 176.550 177.584 0.006 0.000 1.068 10 A CA -0.585 51.456 52.037 0.007 0.000 0.744 10 A CB 1.249 20.252 19.000 0.005 0.000 1.239 10 A HN 0.318 nan 8.150 nan 0.000 0.435 11 V N 2.444 122.359 119.914 0.000 0.000 2.347 11 V HA 0.281 4.403 4.120 0.003 0.000 0.280 11 V C 0.254 176.346 176.094 -0.004 0.000 1.021 11 V CA -0.351 61.948 62.300 -0.001 0.000 0.847 11 V CB 1.186 33.004 31.823 -0.009 0.000 0.990 11 V HN 0.961 nan 8.190 nan 0.000 0.444 12 E N 4.637 124.837 120.200 0.001 0.000 2.105 12 E HA 0.325 4.677 4.350 0.003 0.000 0.285 12 E C -0.856 175.743 176.600 -0.001 0.000 1.055 12 E CA -0.746 55.654 56.400 0.000 0.000 0.843 12 E CB 1.136 30.839 29.700 0.004 0.000 1.067 12 E HN 0.566 nan 8.360 nan 0.000 0.398 13 L N 5.604 126.822 121.223 -0.007 0.000 2.260 13 L HA 0.265 4.607 4.340 0.003 0.000 0.289 13 L C -0.153 176.715 176.870 -0.002 0.000 1.057 13 L CA 0.434 55.268 54.840 -0.009 0.000 0.811 13 L CB 1.161 43.207 42.059 -0.021 0.000 1.184 13 L HN 0.700 nan 8.230 nan 0.000 0.429 14 D N 2.873 123.278 120.400 0.007 0.000 2.949 14 D HA 0.184 4.826 4.640 0.003 0.000 0.247 14 D C 1.332 177.642 176.300 0.017 0.000 1.552 14 D CA 0.726 54.733 54.000 0.012 0.000 1.231 14 D CB 0.723 41.534 40.800 0.019 0.000 0.990 14 D HN 0.586 nan 8.370 nan 0.000 0.270 15 R N -1.693 118.829 120.500 0.036 0.000 2.243 15 R HA 0.193 4.535 4.340 0.003 0.000 0.193 15 R C 0.197 176.546 176.300 0.081 0.000 0.933 15 R CA -0.117 56.012 56.100 0.048 0.000 1.105 15 R CB 0.627 30.958 30.300 0.052 0.000 1.169 15 R HN 0.223 nan 8.270 nan 0.000 0.599 16 H N 0.019 119.082 119.070 -0.012 0.000 2.572 16 H HA 0.544 5.102 4.556 0.003 0.000 0.359 16 H C -1.485 173.837 175.328 -0.010 0.000 1.134 16 H CA -0.672 55.368 56.048 -0.013 0.000 1.187 16 H CB 1.558 31.312 29.762 -0.012 0.000 1.597 16 H HN -0.008 nan 8.280 nan 0.000 0.524 17 I N 4.341 124.605 120.570 -0.510 0.000 2.619 17 I HA 0.259 4.430 4.170 0.003 0.000 0.292 17 I C -1.169 174.698 176.117 -0.417 0.000 1.100 17 I CA -0.872 60.253 61.300 -0.291 0.000 1.043 17 I CB 1.481 39.382 38.000 -0.165 0.000 1.239 17 I HN 0.842 nan 8.210 nan 0.000 0.420 18 D N 6.070 126.378 120.400 -0.153 0.000 2.387 18 D HA 0.199 4.840 4.640 0.003 0.000 0.251 18 D C 1.019 177.294 176.300 -0.041 0.000 1.141 18 D CA -0.526 53.436 54.000 -0.064 0.000 0.987 18 D CB 0.969 41.803 40.800 0.057 0.000 1.116 18 D HN 0.514 nan 8.370 nan 0.000 0.491 19 L N -0.343 120.878 121.223 -0.003 0.000 2.079 19 L HA -0.164 4.178 4.340 0.003 0.000 0.210 19 L C 1.574 178.485 176.870 0.069 0.000 1.081 19 L CA 1.467 56.324 54.840 0.029 0.000 0.752 19 L CB -0.474 41.614 42.059 0.048 0.000 0.896 19 L HN 0.452 nan 8.230 nan 0.000 0.433 20 D N -0.223 120.220 120.400 0.072 0.000 2.097 20 D HA -0.180 4.461 4.640 0.003 0.000 0.197 20 D C 2.320 178.667 176.300 0.080 0.000 0.984 20 D CA 1.122 55.184 54.000 0.103 0.000 0.826 20 D CB -0.154 40.697 40.800 0.085 0.000 0.973 20 D HN 0.405 nan 8.370 nan 0.000 0.460 21 Q N 0.397 120.222 119.800 0.041 0.000 2.084 21 Q HA -0.098 4.244 4.340 0.003 0.000 0.202 21 Q C 2.214 178.213 176.000 -0.001 0.000 0.978 21 Q CA 1.431 57.245 55.803 0.018 0.000 0.844 21 Q CB -0.117 28.620 28.738 -0.000 0.000 0.898 21 Q HN 0.210 nan 8.270 nan 0.000 0.426 22 A N 0.841 123.656 122.820 -0.008 0.000 1.877 22 A HA -0.242 4.080 4.320 0.003 0.000 0.216 22 A C 1.967 179.531 177.584 -0.034 0.000 1.186 22 A CA 1.615 53.634 52.037 -0.030 0.000 0.620 22 A CB -0.866 18.115 19.000 -0.031 0.000 0.822 22 A HN 0.457 nan 8.150 nan 0.000 0.443 23 H N 0.059 119.078 119.070 -0.085 0.000 2.389 23 H HA -0.026 4.532 4.556 0.003 0.000 0.299 23 H C 2.251 177.494 175.328 -0.141 0.000 1.081 23 H CA 1.539 57.495 56.048 -0.152 0.000 1.345 23 H CB -0.167 29.411 29.762 -0.306 0.000 1.393 23 H HN 0.407 nan 8.280 nan 0.000 0.520 24 A N 0.463 123.267 122.820 -0.026 0.000 1.902 24 A HA -0.111 4.211 4.320 0.003 0.000 0.217 24 A C 2.843 180.380 177.584 -0.078 0.000 1.181 24 A CA 1.688 53.712 52.037 -0.022 0.000 0.623 24 A CB -0.841 18.178 19.000 0.032 0.000 0.818 24 A HN 0.298 nan 8.150 nan 0.000 0.443 25 V N -0.375 119.486 119.914 -0.088 0.000 2.323 25 V HA -0.164 3.957 4.120 0.003 0.000 0.244 25 V C 3.047 179.041 176.094 -0.168 0.000 1.041 25 V CA 1.745 63.986 62.300 -0.097 0.000 1.025 25 V CB -1.195 30.579 31.823 -0.083 0.000 0.656 25 V HN 0.600 nan 8.190 nan 0.000 0.451 26 A N 0.834 123.517 122.820 -0.229 0.000 1.940 26 A HA -0.199 4.123 4.320 0.003 0.000 0.219 26 A C 2.397 179.757 177.584 -0.374 0.000 1.176 26 A CA 2.241 54.089 52.037 -0.315 0.000 0.631 26 A CB -0.656 18.169 19.000 -0.292 0.000 0.814 26 A HN 0.691 nan 8.150 nan 0.000 0.446 27 S N -2.060 113.436 115.700 -0.339 0.000 2.603 27 S HA 0.370 4.842 4.470 0.003 0.000 0.220 27 S C 1.416 176.137 174.600 0.202 0.000 0.967 27 S CA 1.043 59.188 58.200 -0.091 0.000 0.920 27 S CB -0.288 62.741 63.200 -0.284 0.000 0.773 27 S HN 1.936 nan 8.310 nan 0.000 0.529 28 G N 0.415 109.263 108.800 0.080 0.000 2.159 28 G HA2 -0.221 3.741 3.960 0.003 0.000 0.256 28 G HA3 -0.221 3.741 3.960 0.003 0.000 0.256 28 G C 0.861 175.827 174.900 0.109 0.000 0.977 28 G CA 0.133 45.341 45.100 0.180 0.000 0.652 28 G HN 0.976 nan 8.290 nan 0.000 0.531 29 G N -0.399 108.440 108.800 0.064 0.000 2.572 29 G HA2 0.551 4.513 3.960 0.003 0.000 0.216 29 G HA3 0.551 4.513 3.960 0.003 0.000 0.216 29 G C 0.640 175.564 174.900 0.040 0.000 1.133 29 G CA 1.722 46.857 45.100 0.057 0.000 0.791 29 G HN 1.833 nan 8.290 nan 0.000 0.538 30 A N -0.340 122.494 122.820 0.023 0.000 2.515 30 A HA 0.769 5.091 4.320 0.003 0.000 0.298 30 A C -0.157 177.430 177.584 0.004 0.000 1.059 30 A CA -0.853 51.193 52.037 0.015 0.000 0.698 30 A CB 1.500 20.507 19.000 0.011 0.000 1.289 30 A HN 0.221 nan 8.150 nan 0.000 0.404 31 R N 0.152 120.655 120.500 0.006 0.000 2.649 31 R HA 0.636 4.978 4.340 0.003 0.000 0.270 31 R C -0.615 175.679 176.300 -0.010 0.000 1.105 31 R CA -0.289 55.811 56.100 -0.001 0.000 1.193 31 R CB 0.877 31.179 30.300 0.003 0.000 1.120 31 R HN 0.678 nan 8.270 nan 0.000 0.561 32 I N 0.570 121.131 120.570 -0.015 0.000 2.545 32 I HA 0.403 4.575 4.170 0.003 0.000 0.292 32 I C -1.443 174.665 176.117 -0.015 0.000 1.040 32 I CA -0.936 60.353 61.300 -0.019 0.000 1.068 32 I CB 1.994 39.975 38.000 -0.032 0.000 1.251 32 I HN 0.287 nan 8.210 nan 0.000 0.424 33 V N 7.953 127.859 119.914 -0.013 0.000 2.789 33 V HA 0.511 4.633 4.120 0.003 0.000 0.311 33 V C -1.428 174.659 176.094 -0.011 0.000 1.073 33 V CA -0.688 61.606 62.300 -0.010 0.000 0.921 33 V CB 2.128 33.947 31.823 -0.006 0.000 1.009 33 V HN 0.647 nan 8.190 nan 0.000 0.426 34 L N 6.565 127.781 121.223 -0.011 0.000 2.260 34 L HA 0.783 5.124 4.340 0.003 0.000 0.289 34 L C 0.703 177.569 176.870 -0.007 0.000 1.057 34 L CA 0.542 55.375 54.840 -0.011 0.000 0.811 34 L CB 0.837 42.888 42.059 -0.013 0.000 1.184 34 L HN 0.915 nan 8.230 nan 0.000 0.429 35 A N 6.896 129.714 122.820 -0.004 0.000 2.466 35 A HA 0.334 4.656 4.320 0.003 0.000 0.238 35 A C -1.577 176.005 177.584 -0.002 0.000 1.074 35 A CA -0.664 51.372 52.037 -0.001 0.000 0.774 35 A CB -0.402 18.600 19.000 0.002 0.000 1.015 35 A HN 0.789 nan 8.150 nan 0.000 0.498 36 P HA -0.148 nan 4.420 nan 0.000 0.216 36 P C -1.448 175.851 177.300 -0.002 0.000 1.157 36 P CA 1.866 64.965 63.100 -0.002 0.000 0.880 36 P CB -0.783 30.917 31.700 -0.001 0.000 0.791 37 P HA -0.168 nan 4.420 nan 0.000 0.216 37 P C 1.417 178.718 177.300 0.001 0.000 1.150 37 P CA 2.058 65.159 63.100 0.002 0.000 0.837 37 P CB -0.621 31.081 31.700 0.004 0.000 0.786 38 A N -0.266 122.554 122.820 0.000 0.000 1.898 38 A HA -0.175 4.147 4.320 0.003 0.000 0.216 38 A C 2.244 179.825 177.584 -0.005 0.000 1.181 38 A CA 1.282 53.318 52.037 -0.001 0.000 0.620 38 A CB -0.972 18.027 19.000 -0.002 0.000 0.819 38 A HN 0.045 nan 8.150 nan 0.000 0.442 39 R N -0.175 120.321 120.500 -0.007 0.000 2.081 39 R HA -0.124 4.218 4.340 0.003 0.000 0.235 39 R C 1.528 177.821 176.300 -0.011 0.000 1.131 39 R CA 1.509 57.603 56.100 -0.011 0.000 0.960 39 R CB -0.385 29.908 30.300 -0.011 0.000 0.856 39 R HN 0.491 nan 8.270 nan 0.000 0.436 40 D N 0.136 120.532 120.400 -0.007 0.000 2.117 40 D HA -0.116 4.526 4.640 0.003 0.000 0.198 40 D C 1.970 178.267 176.300 -0.005 0.000 0.982 40 D CA 1.078 55.075 54.000 -0.006 0.000 0.828 40 D CB -0.125 40.673 40.800 -0.003 0.000 0.967 40 D HN 0.193 nan 8.370 nan 0.000 0.464 41 R N 0.051 120.550 120.500 -0.001 0.000 2.096 41 R HA -0.052 4.290 4.340 0.003 0.000 0.235 41 R C 2.480 178.780 176.300 0.001 0.000 1.127 41 R CA 0.884 56.985 56.100 0.002 0.000 0.968 41 R CB -0.437 29.866 30.300 0.006 0.000 0.861 41 R HN 0.224 nan 8.270 nan 0.000 0.440 42 C N -0.152 119.145 119.300 -0.005 0.000 2.440 42 C HA 0.012 4.474 4.460 0.003 0.000 0.278 42 C C 2.578 177.554 174.990 -0.023 0.000 1.295 42 C CA 0.333 59.345 59.018 -0.011 0.000 1.738 42 C CB -0.763 26.967 27.740 -0.016 0.000 1.987 42 C HN 0.445 nan 8.230 nan 0.000 0.492 43 R N 0.834 121.320 120.500 -0.023 0.000 2.092 43 R HA -0.092 4.250 4.340 0.003 0.000 0.231 43 R C 2.348 178.633 176.300 -0.025 0.000 1.119 43 R CA 1.511 57.594 56.100 -0.029 0.000 0.970 43 R CB -0.369 29.918 30.300 -0.022 0.000 0.864 43 R HN 0.550 nan 8.270 nan 0.000 0.440 44 A N -0.159 122.652 122.820 -0.016 0.000 1.930 44 A HA -0.147 4.175 4.320 0.003 0.000 0.217 44 A C 2.120 179.693 177.584 -0.018 0.000 1.175 44 A CA 1.725 53.755 52.037 -0.012 0.000 0.627 44 A CB -0.446 18.553 19.000 -0.002 0.000 0.815 44 A HN 0.292 nan 8.150 nan 0.000 0.443 45 S N -0.862 114.830 115.700 -0.015 0.000 2.387 45 S HA -0.161 4.311 4.470 0.003 0.000 0.226 45 S C 1.986 176.539 174.600 -0.078 0.000 1.026 45 S CA 1.423 59.611 58.200 -0.019 0.000 0.972 45 S CB -0.297 62.916 63.200 0.022 0.000 0.814 45 S HN 0.677 nan 8.310 nan 0.000 0.477 46 E N 0.445 120.604 120.200 -0.069 0.000 2.077 46 E HA -0.131 4.221 4.350 0.003 0.000 0.193 46 E C 2.071 178.619 176.600 -0.087 0.000 0.989 46 E CA 1.089 57.435 56.400 -0.090 0.000 0.800 46 E CB -0.348 29.302 29.700 -0.083 0.000 0.746 46 E HN 0.597 nan 8.360 nan 0.000 0.452 47 A N 1.200 123.983 122.820 -0.062 0.000 1.933 47 A HA -0.153 4.169 4.320 0.003 0.000 0.218 47 A C 2.146 179.687 177.584 -0.073 0.000 1.175 47 A CA 1.232 53.240 52.037 -0.049 0.000 0.628 47 A CB -0.402 18.581 19.000 -0.029 0.000 0.814 47 A HN 0.165 nan 8.150 nan 0.000 0.444 48 R N -1.209 119.235 120.500 -0.093 0.000 2.096 48 R HA -0.109 4.233 4.340 0.003 0.000 0.235 48 R C 2.098 178.256 176.300 -0.237 0.000 1.127 48 R CA 1.432 57.463 56.100 -0.115 0.000 0.968 48 R CB -0.558 29.697 30.300 -0.075 0.000 0.861 48 R HN 0.508 nan 8.270 nan 0.000 0.440 49 L N 0.477 121.477 121.223 -0.372 0.000 2.056 49 L HA -0.011 4.331 4.340 0.003 0.000 0.207 49 L C 2.114 178.847 176.870 -0.229 0.000 1.078 49 L CA 2.048 56.582 54.840 -0.511 0.000 0.749 49 L CB -0.969 40.794 42.059 -0.493 0.000 0.901 49 L HN 0.149 nan 8.230 nan 0.000 0.433 50 G N -0.912 107.809 108.800 -0.132 0.000 2.440 50 G HA2 -0.282 3.680 3.960 0.003 0.000 0.218 50 G HA3 -0.282 3.680 3.960 0.003 0.000 0.218 50 G C 1.593 176.463 174.900 -0.050 0.000 1.154 50 G CA 0.878 45.942 45.100 -0.060 0.000 0.767 50 G HN 0.641 nan 8.290 nan 0.000 0.552 51 A N -0.006 122.781 122.820 -0.055 0.000 1.930 51 A HA 0.119 4.441 4.320 0.003 0.000 0.217 51 A C 2.595 180.169 177.584 -0.017 0.000 1.175 51 A CA 1.695 53.715 52.037 -0.028 0.000 0.627 51 A CB -0.595 18.393 19.000 -0.020 0.000 0.815 51 A HN 0.253 nan 8.150 nan 0.000 0.443 52 V N 0.266 120.158 119.914 -0.037 0.000 2.332 52 V HA -0.280 3.842 4.120 0.003 0.000 0.248 52 V C 2.406 178.516 176.094 0.025 0.000 1.055 52 V CA 2.100 64.407 62.300 0.012 0.000 1.038 52 V CB -0.614 31.213 31.823 0.008 0.000 0.651 52 V HN 0.579 nan 8.190 nan 0.000 0.450 53 I N -0.694 119.873 120.570 -0.005 0.000 2.202 53 I HA -0.201 3.971 4.170 0.003 0.000 0.242 53 I C 2.731 178.853 176.117 0.009 0.000 1.091 53 I CA 1.421 62.726 61.300 0.009 0.000 1.368 53 I CB -0.444 37.552 38.000 -0.006 0.000 1.058 53 I HN 0.198 nan 8.210 nan 0.000 0.410 54 R N 0.814 121.314 120.500 0.000 0.000 2.105 54 R HA -0.178 4.164 4.340 0.003 0.000 0.239 54 R C 1.808 178.114 176.300 0.009 0.000 1.135 54 R CA 1.351 57.452 56.100 0.001 0.000 0.967 54 R CB -0.310 29.989 30.300 -0.003 0.000 0.861 54 R HN 0.463 nan 8.270 nan 0.000 0.442 55 E N -0.038 120.172 120.200 0.017 0.000 2.502 55 E HA 0.070 4.422 4.350 0.003 0.000 0.194 55 E C 0.366 176.986 176.600 0.033 0.000 1.062 55 E CA 0.354 56.769 56.400 0.025 0.000 0.867 55 E CB 0.342 30.062 29.700 0.033 0.000 0.888 55 E HN 0.338 nan 8.360 nan 0.000 0.510 56 A N 1.891 124.732 122.820 0.034 0.000 2.822 56 A HA -0.233 4.088 4.320 0.003 0.000 0.287 56 A C 0.012 177.634 177.584 0.064 0.000 1.479 56 A CA 0.561 52.621 52.037 0.039 0.000 0.779 56 A CB -1.337 17.675 19.000 0.019 0.000 1.022 56 A HN 0.126 nan 8.150 nan 0.000 0.532 57 R N 0.102 120.657 120.500 0.092 0.000 2.643 57 R HA 0.120 4.461 4.340 0.003 0.000 0.270 57 R C 0.527 176.942 176.300 0.192 0.000 1.061 57 R CA -0.131 56.050 56.100 0.134 0.000 1.107 57 R CB 0.123 30.512 30.300 0.149 0.000 0.999 57 R HN 0.714 nan 8.270 nan 0.000 0.460 58 H N 1.794 120.905 119.070 0.069 0.000 3.232 58 H HA 0.198 4.756 4.556 0.003 0.000 0.254 58 H C -0.908 174.487 175.328 0.112 0.000 1.213 58 H CA -0.358 55.721 56.048 0.052 0.000 1.503 58 H CB 0.192 29.958 29.762 0.007 0.000 1.563 58 H HN 0.039 nan 8.280 nan 0.000 0.490 59 V N 6.611 126.718 119.914 0.322 0.000 2.577 59 V HA -0.002 4.120 4.120 0.003 0.000 0.303 59 V C -0.697 175.622 176.094 0.374 0.000 1.042 59 V CA -0.968 61.559 62.300 0.377 0.000 0.872 59 V CB 1.237 33.286 31.823 0.376 0.000 0.998 59 V HN 0.665 nan 8.190 nan 0.000 0.423 60 Y N 4.096 124.635 120.300 0.398 0.000 2.805 60 Y HA 0.325 4.877 4.550 0.003 0.000 0.331 60 Y C 1.387 177.393 175.900 0.177 0.000 1.241 60 Y CA 2.005 60.237 58.100 0.220 0.000 1.546 60 Y CB 0.500 39.138 38.460 0.296 0.000 1.248 60 Y HN 1.046 nan 8.280 nan 0.000 0.559 61 G N 3.986 112.531 108.800 -0.427 0.000 2.253 61 G HA2 -0.312 3.649 3.960 0.003 0.000 0.251 61 G HA3 -0.312 3.649 3.960 0.003 0.000 0.251 61 G C 0.661 175.558 174.900 -0.006 0.000 0.998 61 G CA 0.571 45.565 45.100 -0.177 0.000 0.621 61 G HN 0.672 nan 8.290 nan 0.000 0.524 62 L N 0.185 121.433 121.223 0.043 0.000 2.500 62 L HA 0.301 4.643 4.340 0.003 0.000 0.219 62 L C 2.176 179.060 176.870 0.023 0.000 1.057 62 L CA 1.610 56.493 54.840 0.072 0.000 0.854 62 L CB 0.483 42.629 42.059 0.145 0.000 1.078 62 L HN 0.478 nan 8.230 nan 0.000 0.480 63 T N -4.150 110.412 114.554 0.013 0.000 3.403 63 T HA 0.190 4.542 4.350 0.003 0.000 0.308 63 T C 0.231 174.894 174.700 -0.061 0.000 0.952 63 T CA 0.109 62.204 62.100 -0.009 0.000 0.970 63 T CB 0.017 68.912 68.868 0.045 0.000 1.189 63 T HN 0.173 nan 8.240 nan 0.000 0.528 64 T N -1.981 112.474 114.554 -0.165 0.000 2.841 64 T HA 0.785 5.137 4.350 0.003 0.000 0.296 64 T C 0.543 174.913 174.700 -0.549 0.000 1.166 64 T CA -0.281 61.675 62.100 -0.239 0.000 1.007 64 T CB 1.415 70.214 68.868 -0.115 0.000 1.253 64 T HN 0.302 nan 8.240 nan 0.000 0.511 65 G N -0.212 108.311 108.800 -0.461 0.000 2.516 65 G HA2 0.576 4.538 3.960 0.003 0.000 0.276 65 G HA3 0.576 4.538 3.960 0.003 0.000 0.276 65 G C -1.128 173.256 174.900 -0.860 0.000 1.390 65 G CA -0.803 43.937 45.100 -0.600 0.000 1.050 65 G HN 0.550 nan 8.290 nan 0.000 0.519 66 F N -0.869 119.022 119.950 -0.099 0.000 2.507 66 F HA 0.612 5.141 4.527 0.003 0.000 0.327 66 F C 1.113 176.999 175.800 0.142 0.000 1.068 66 F CA 0.339 58.332 58.000 -0.012 0.000 0.965 66 F CB 1.484 40.507 39.000 0.038 0.000 1.192 66 F HN 1.036 nan 8.300 nan 0.000 0.476 67 G N 2.190 111.291 108.800 0.500 0.000 2.596 67 G HA2 -0.284 3.678 3.960 0.003 0.000 0.295 67 G HA3 -0.284 3.678 3.960 0.003 0.000 0.295 67 G C -1.901 173.113 174.900 0.190 0.000 1.240 67 G CA -0.099 45.162 45.100 0.269 0.000 0.985 67 G HN 0.512 nan 8.290 nan 0.000 0.555 68 P HA 0.125 nan 4.420 nan 0.000 0.230 68 P C 1.720 179.055 177.300 0.059 0.000 1.158 68 P CA 0.810 63.955 63.100 0.075 0.000 0.769 68 P CB -0.072 31.659 31.700 0.051 0.000 0.807 69 L N -1.535 119.722 121.223 0.056 0.000 2.612 69 L HA 0.160 4.502 4.340 0.003 0.000 0.230 69 L C 2.020 178.880 176.870 -0.016 0.000 1.140 69 L CA 0.087 54.934 54.840 0.011 0.000 0.896 69 L CB -0.660 41.395 42.059 -0.008 0.000 1.065 69 L HN -0.047 nan 8.230 nan 0.000 0.447 70 A N 1.252 124.096 122.820 0.040 0.000 2.172 70 A HA -0.163 4.159 4.320 0.003 0.000 0.216 70 A C 1.971 179.578 177.584 0.040 0.000 1.154 70 A CA 1.335 53.395 52.037 0.038 0.000 0.701 70 A CB -0.499 18.635 19.000 0.224 0.000 0.789 70 A HN 0.644 nan 8.150 nan 0.000 0.465 71 N N -0.511 118.207 118.700 0.030 0.000 2.515 71 N HA -0.039 4.703 4.740 0.003 0.000 0.185 71 N C 0.043 175.543 175.510 -0.016 0.000 1.109 71 N CA 0.258 53.321 53.050 0.021 0.000 0.903 71 N CB -0.209 38.290 38.487 0.020 0.000 0.969 71 N HN 0.177 nan 8.380 nan 0.000 0.450 72 R N 1.056 121.533 120.500 -0.038 0.000 2.205 72 R HA 0.382 4.724 4.340 0.003 0.000 0.342 72 R C -0.204 176.044 176.300 -0.086 0.000 1.058 72 R CA -0.275 55.790 56.100 -0.059 0.000 0.904 72 R CB 0.667 30.930 30.300 -0.062 0.000 1.089 72 R HN 0.156 nan 8.270 nan 0.000 0.471 73 L N 4.109 125.278 121.223 -0.091 0.000 2.397 73 L HA 0.352 4.694 4.340 0.003 0.000 0.271 73 L C 0.105 176.917 176.870 -0.097 0.000 1.148 73 L CA -0.405 54.367 54.840 -0.113 0.000 0.825 73 L CB 0.581 42.550 42.059 -0.151 0.000 1.117 73 L HN 0.347 nan 8.230 nan 0.000 0.456 74 I N 1.535 122.046 120.570 -0.097 0.000 2.441 74 I HA 0.222 4.393 4.170 0.003 0.000 0.295 74 I C 0.357 176.440 176.117 -0.057 0.000 0.994 74 I CA -0.256 60.996 61.300 -0.079 0.000 1.144 74 I CB 1.659 39.600 38.000 -0.097 0.000 1.314 74 I HN 0.512 nan 8.210 nan 0.000 0.445 75 S N 3.118 118.792 115.700 -0.043 0.000 2.565 75 S HA 0.357 4.829 4.470 0.003 0.000 0.276 75 S C 1.492 176.078 174.600 -0.023 0.000 1.326 75 S CA 0.109 58.290 58.200 -0.032 0.000 1.045 75 S CB 1.200 64.384 63.200 -0.027 0.000 0.918 75 S HN 0.890 nan 8.310 nan 0.000 0.505 76 G N 3.152 111.941 108.800 -0.017 0.000 2.503 76 G HA2 -0.286 3.676 3.960 0.003 0.000 0.221 76 G HA3 -0.286 3.676 3.960 0.003 0.000 0.221 76 G C 1.293 176.186 174.900 -0.011 0.000 1.131 76 G CA 1.225 46.318 45.100 -0.011 0.000 0.756 76 G HN 0.922 nan 8.290 nan 0.000 0.572 77 E N 0.618 120.811 120.200 -0.012 0.000 2.333 77 E HA -0.117 4.235 4.350 0.003 0.000 0.198 77 E C 1.108 177.702 176.600 -0.009 0.000 1.007 77 E CA 0.948 57.342 56.400 -0.011 0.000 0.845 77 E CB -0.321 29.373 29.700 -0.011 0.000 0.766 77 E HN 0.410 nan 8.360 nan 0.000 0.507 78 N N 0.712 119.407 118.700 -0.010 0.000 2.230 78 N HA 0.059 4.801 4.740 0.003 0.000 0.202 78 N C 1.493 177.002 175.510 -0.001 0.000 1.119 78 N CA 0.135 53.181 53.050 -0.006 0.000 0.851 78 N CB 0.990 39.471 38.487 -0.010 0.000 0.990 78 N HN 0.033 nan 8.380 nan 0.000 0.497 79 V N 1.074 120.987 119.914 -0.002 0.000 2.490 79 V HA -0.163 3.959 4.120 0.003 0.000 0.250 79 V C 2.393 178.499 176.094 0.021 0.000 1.061 79 V CA 1.295 63.600 62.300 0.009 0.000 1.064 79 V CB -0.217 31.613 31.823 0.011 0.000 0.670 79 V HN 0.205 nan 8.190 nan 0.000 0.461 80 R N 0.263 120.768 120.500 0.009 0.000 2.073 80 R HA -0.114 4.228 4.340 0.003 0.000 0.234 80 R C 2.398 178.702 176.300 0.006 0.000 1.134 80 R CA 1.964 58.068 56.100 0.005 0.000 0.952 80 R CB -1.429 28.869 30.300 -0.003 0.000 0.850 80 R HN 0.500 nan 8.270 nan 0.000 0.433 81 T N 2.433 116.995 114.554 0.013 0.000 2.746 81 T HA -0.133 4.219 4.350 0.003 0.000 0.267 81 T C 1.893 176.618 174.700 0.041 0.000 1.039 81 T CA 1.166 63.279 62.100 0.022 0.000 1.142 81 T CB -0.330 68.555 68.868 0.028 0.000 0.866 81 T HN 0.085 nan 8.240 nan 0.000 0.444 82 L N 1.339 122.595 121.223 0.055 0.000 1.971 82 L HA -0.180 4.161 4.340 0.003 0.000 0.215 82 L C 2.424 179.410 176.870 0.193 0.000 1.072 82 L CA 1.887 56.795 54.840 0.114 0.000 0.758 82 L CB -0.650 41.443 42.059 0.058 0.000 0.889 82 L HN 0.263 nan 8.230 nan 0.000 0.433 83 Q N -1.003 118.872 119.800 0.125 0.000 2.297 83 Q HA -0.066 4.275 4.340 0.003 0.000 0.204 83 Q C 2.170 178.131 176.000 -0.064 0.000 0.962 83 Q CA 1.066 56.915 55.803 0.075 0.000 0.879 83 Q CB -0.236 28.538 28.738 0.061 0.000 0.947 83 Q HN 0.717 nan 8.270 nan 0.000 0.462 84 A N 1.560 124.323 122.820 -0.093 0.000 1.897 84 A HA -0.149 4.173 4.320 0.003 0.000 0.215 84 A C 1.708 179.032 177.584 -0.433 0.000 1.181 84 A CA 1.199 53.074 52.037 -0.270 0.000 0.620 84 A CB -0.227 18.650 19.000 -0.205 0.000 0.821 84 A HN 0.246 nan 8.150 nan 0.000 0.443 85 N N -0.215 118.406 118.700 -0.132 0.000 2.396 85 N HA -0.073 4.669 4.740 0.003 0.000 0.180 85 N C 1.491 177.045 175.510 0.072 0.000 1.028 85 N CA 1.020 54.096 53.050 0.044 0.000 0.893 85 N CB -0.399 38.189 38.487 0.169 0.000 0.967 85 N HN 0.462 nan 8.380 nan 0.000 0.440 86 L N 0.730 121.925 121.223 -0.046 0.000 1.994 86 L HA -0.073 4.269 4.340 0.003 0.000 0.208 86 L C 1.899 178.485 176.870 -0.474 0.000 1.071 86 L CA 1.475 56.124 54.840 -0.317 0.000 0.745 86 L CB -0.784 40.900 42.059 -0.624 0.000 0.892 86 L HN -0.121 nan 8.230 nan 0.000 0.431 87 V N -0.072 119.629 119.914 -0.355 0.000 2.332 87 V HA -0.361 3.760 4.120 0.003 0.000 0.248 87 V C 2.417 178.368 176.094 -0.239 0.000 1.055 87 V CA 2.286 64.393 62.300 -0.321 0.000 1.038 87 V CB -1.052 30.607 31.823 -0.273 0.000 0.651 87 V HN 0.634 nan 8.190 nan 0.000 0.450 88 H N -0.434 118.530 119.070 -0.175 0.000 2.270 88 H HA -0.193 4.365 4.556 0.003 0.000 0.299 88 H C 2.386 177.647 175.328 -0.111 0.000 1.077 88 H CA 1.730 57.708 56.048 -0.117 0.000 1.294 88 H CB -0.261 29.482 29.762 -0.031 0.000 1.371 88 H HN 0.670 nan 8.280 nan 0.000 0.491 89 H N 0.652 119.755 119.070 0.056 0.000 2.456 89 H HA -0.068 4.490 4.556 0.003 0.000 0.296 89 H C 1.895 177.199 175.328 -0.040 0.000 1.079 89 H CA 0.950 57.001 56.048 0.005 0.000 1.322 89 H CB -0.289 29.481 29.762 0.012 0.000 1.388 89 H HN 0.334 nan 8.280 nan 0.000 0.538 90 L N 0.958 121.849 121.223 -0.553 0.000 2.395 90 L HA 0.110 4.452 4.340 0.003 0.000 0.218 90 L C 1.917 178.641 176.870 -0.244 0.000 1.130 90 L CA 0.384 54.984 54.840 -0.399 0.000 0.826 90 L CB -0.101 41.656 42.059 -0.503 0.000 0.941 90 L HN 0.278 nan 8.230 nan 0.000 0.451 91 A N 0.035 122.674 122.820 -0.302 0.000 3.029 91 A HA 0.148 4.470 4.320 0.003 0.000 0.251 91 A C 1.250 178.773 177.584 -0.102 0.000 1.749 91 A CA 0.278 51.995 52.037 -0.534 0.000 1.386 91 A CB -0.635 18.007 19.000 -0.597 0.000 1.043 91 A HN 0.360 nan 8.150 nan 0.000 0.638 92 S N -0.612 115.135 115.700 0.078 0.000 2.575 92 S HA 0.369 4.841 4.470 0.003 0.000 0.237 92 S C 0.879 175.585 174.600 0.178 0.000 0.975 92 S CA 0.081 58.356 58.200 0.125 0.000 0.960 92 S CB 0.049 63.293 63.200 0.073 0.000 0.822 92 S HN 0.747 nan 8.310 nan 0.000 0.472 93 G N 1.535 110.562 108.800 0.378 0.000 2.544 93 G HA2 0.498 4.460 3.960 0.003 0.000 0.242 93 G HA3 0.498 4.460 3.960 0.003 0.000 0.242 93 G C -0.142 174.734 174.900 -0.041 0.000 1.247 93 G CA 0.111 45.265 45.100 0.090 0.000 0.840 93 G HN 1.046 nan 8.290 nan 0.000 0.578 94 V N -0.865 119.015 119.914 -0.056 0.000 3.182 94 V HA 1.035 5.156 4.120 0.003 0.000 0.308 94 V C 0.518 176.578 176.094 -0.058 0.000 1.240 94 V CA -0.076 62.192 62.300 -0.052 0.000 1.063 94 V CB 1.157 32.971 31.823 -0.015 0.000 1.076 94 V HN 2.565 nan 8.190 nan 0.000 0.446 95 G N 0.663 109.437 108.800 -0.044 0.000 2.663 95 G HA2 0.069 4.030 3.960 0.003 0.000 0.686 95 G HA3 0.069 4.030 3.960 0.003 0.000 0.686 95 G C -3.063 171.812 174.900 -0.040 0.000 1.288 95 G CA -0.348 44.732 45.100 -0.034 0.000 0.836 95 G HN 0.998 nan 8.290 nan 0.000 0.584 96 P HA 0.374 nan 4.420 nan 0.000 0.267 96 P C 0.813 178.096 177.300 -0.029 0.000 1.200 96 P CA 0.103 63.191 63.100 -0.019 0.000 0.772 96 P CB 0.680 32.378 31.700 -0.003 0.000 0.855 97 V N 1.653 121.551 119.914 -0.028 0.000 3.051 97 V HA 0.153 4.274 4.120 0.003 0.000 0.306 97 V C 0.357 176.445 176.094 -0.009 0.000 1.083 97 V CA -0.587 61.692 62.300 -0.035 0.000 1.104 97 V CB -0.292 31.514 31.823 -0.027 0.000 1.027 97 V HN 0.252 nan 8.190 nan 0.000 0.483 98 L N 2.623 123.838 121.223 -0.015 0.000 2.483 98 L HA 0.244 4.585 4.340 0.003 0.000 0.276 98 L C 0.664 177.557 176.870 0.038 0.000 1.213 98 L CA -0.189 54.655 54.840 0.007 0.000 0.843 98 L CB 0.174 42.228 42.059 -0.009 0.000 1.107 98 L HN 1.031 nan 8.230 nan 0.000 0.487 99 D N -0.100 120.338 120.400 0.064 0.000 2.361 99 D HA -0.111 4.530 4.640 0.003 0.000 0.239 99 D C 0.692 177.088 176.300 0.159 0.000 1.200 99 D CA -0.424 53.646 54.000 0.117 0.000 0.915 99 D CB 0.498 41.372 40.800 0.124 0.000 1.170 99 D HN 0.551 nan 8.370 nan 0.000 0.444 100 W N 1.009 122.314 121.300 0.008 0.000 2.302 100 W HA -0.284 4.378 4.660 0.003 0.000 0.320 100 W C 2.189 178.704 176.519 -0.007 0.000 1.241 100 W CA 2.681 60.030 57.345 0.007 0.000 1.264 100 W CB -0.763 28.703 29.460 0.011 0.000 1.154 100 W HN 0.425 nan 8.180 nan 0.000 0.483 101 T N -0.224 114.480 114.554 0.251 0.000 2.746 101 T HA -0.213 4.139 4.350 0.003 0.000 0.267 101 T C 1.556 176.191 174.700 -0.109 0.000 1.039 101 T CA 2.317 64.412 62.100 -0.009 0.000 1.142 101 T CB -0.858 68.091 68.868 0.134 0.000 0.866 101 T HN 0.189 nan 8.240 nan 0.000 0.444 102 T N 1.910 116.456 114.554 -0.014 0.000 2.777 102 T HA 0.041 4.393 4.350 0.003 0.000 0.266 102 T C 2.425 177.084 174.700 -0.067 0.000 1.040 102 T CA 1.051 63.139 62.100 -0.020 0.000 1.141 102 T CB -0.506 68.378 68.868 0.027 0.000 0.868 102 T HN 0.420 nan 8.240 nan 0.000 0.444 103 A N 1.832 124.601 122.820 -0.084 0.000 1.902 103 A HA -0.112 4.209 4.320 0.003 0.000 0.217 103 A C 2.373 179.861 177.584 -0.161 0.000 1.181 103 A CA 1.385 53.359 52.037 -0.105 0.000 0.623 103 A CB -0.452 18.492 19.000 -0.095 0.000 0.818 103 A HN 0.410 nan 8.150 nan 0.000 0.443 104 R N -0.571 119.767 120.500 -0.269 0.000 2.115 104 R HA 0.026 4.367 4.340 0.003 0.000 0.226 104 R C 2.390 178.561 176.300 -0.214 0.000 1.100 104 R CA 1.016 56.930 56.100 -0.309 0.000 0.980 104 R CB -0.405 29.565 30.300 -0.550 0.000 0.875 104 R HN 0.494 nan 8.270 nan 0.000 0.445 105 A N 1.152 123.863 122.820 -0.181 0.000 1.972 105 A HA -0.172 4.149 4.320 0.003 0.000 0.219 105 A C 2.097 179.629 177.584 -0.087 0.000 1.169 105 A CA 1.249 53.212 52.037 -0.122 0.000 0.635 105 A CB -0.427 18.526 19.000 -0.079 0.000 0.810 105 A HN 0.333 nan 8.150 nan 0.000 0.446 106 M N -0.381 119.171 119.600 -0.081 0.000 2.156 106 M HA -0.093 4.388 4.480 0.003 0.000 0.264 106 M C 1.841 178.103 176.300 -0.063 0.000 1.067 106 M CA 1.844 57.108 55.300 -0.059 0.000 1.131 106 M CB -0.203 32.366 32.600 -0.051 0.000 1.368 106 M HN 0.173 nan 8.290 nan 0.000 0.416 107 V N 1.248 121.113 119.914 -0.080 0.000 2.332 107 V HA -0.279 3.843 4.120 0.003 0.000 0.248 107 V C 2.447 178.501 176.094 -0.068 0.000 1.055 107 V CA 1.779 64.036 62.300 -0.071 0.000 1.038 107 V CB -0.976 30.797 31.823 -0.083 0.000 0.651 107 V HN 0.593 nan 8.190 nan 0.000 0.450 108 L N 0.905 122.078 121.223 -0.083 0.000 2.046 108 L HA -0.078 4.264 4.340 0.003 0.000 0.208 108 L C 2.441 179.274 176.870 -0.062 0.000 1.077 108 L CA 2.337 57.132 54.840 -0.076 0.000 0.747 108 L CB -0.952 41.052 42.059 -0.092 0.000 0.896 108 L HN 0.215 nan 8.230 nan 0.000 0.432 109 A N -0.393 122.392 122.820 -0.058 0.000 1.908 109 A HA -0.267 4.055 4.320 0.003 0.000 0.218 109 A C 2.466 180.027 177.584 -0.040 0.000 1.181 109 A CA 1.879 53.886 52.037 -0.049 0.000 0.627 109 A CB -0.613 18.362 19.000 -0.042 0.000 0.818 109 A HN 0.487 nan 8.150 nan 0.000 0.445 110 R N -0.667 119.811 120.500 -0.036 0.000 2.075 110 R HA -0.066 4.276 4.340 0.003 0.000 0.232 110 R C 1.951 178.237 176.300 -0.025 0.000 1.126 110 R CA 1.523 57.608 56.100 -0.025 0.000 0.963 110 R CB -0.660 29.626 30.300 -0.025 0.000 0.858 110 R HN 0.443 nan 8.270 nan 0.000 0.435 111 L N -0.082 121.122 121.223 -0.032 0.000 2.046 111 L HA -0.108 4.233 4.340 0.003 0.000 0.208 111 L C 1.905 178.758 176.870 -0.029 0.000 1.077 111 L CA 1.649 56.471 54.840 -0.030 0.000 0.747 111 L CB -0.510 41.527 42.059 -0.037 0.000 0.896 111 L HN 0.069 nan 8.230 nan 0.000 0.432 112 V N -0.963 118.928 119.914 -0.038 0.000 2.392 112 V HA -0.280 3.841 4.120 0.003 0.000 0.249 112 V C 2.774 178.850 176.094 -0.030 0.000 1.059 112 V CA 1.812 64.087 62.300 -0.041 0.000 1.051 112 V CB -0.844 30.944 31.823 -0.059 0.000 0.658 112 V HN 0.656 nan 8.190 nan 0.000 0.455 113 S N -0.304 115.381 115.700 -0.026 0.000 2.356 113 S HA -0.140 4.331 4.470 0.003 0.000 0.223 113 S C 1.931 176.529 174.600 -0.004 0.000 1.032 113 S CA 1.660 59.850 58.200 -0.016 0.000 1.005 113 S CB -0.341 62.851 63.200 -0.013 0.000 0.867 113 S HN 0.520 nan 8.310 nan 0.000 0.449 114 I N 1.772 122.341 120.570 -0.002 0.000 2.264 114 I HA -0.172 4.000 4.170 0.003 0.000 0.248 114 I C 2.674 178.794 176.117 0.005 0.000 1.111 114 I CA 1.110 62.415 61.300 0.008 0.000 1.382 114 I CB -0.469 37.533 38.000 0.002 0.000 1.060 114 I HN 0.381 nan 8.210 nan 0.000 0.418 115 A N -0.006 122.811 122.820 -0.005 0.000 2.125 115 A HA -0.189 4.133 4.320 0.003 0.000 0.219 115 A C 2.092 179.677 177.584 0.002 0.000 1.156 115 A CA 1.124 53.158 52.037 -0.005 0.000 0.671 115 A CB -0.314 18.680 19.000 -0.012 0.000 0.794 115 A HN 0.404 nan 8.150 nan 0.000 0.459 116 Q N -1.179 118.623 119.800 0.004 0.000 2.436 116 Q HA 0.073 4.415 4.340 0.003 0.000 0.209 116 Q C 1.252 177.262 176.000 0.016 0.000 0.965 116 Q CA 0.837 56.645 55.803 0.009 0.000 0.910 116 Q CB -0.488 28.253 28.738 0.005 0.000 0.980 116 Q HN 1.062 nan 8.270 nan 0.000 0.491 117 G N 0.311 109.124 108.800 0.021 0.000 2.171 117 G HA2 -0.196 3.766 3.960 0.003 0.000 0.238 117 G HA3 -0.196 3.766 3.960 0.003 0.000 0.238 117 G C 0.440 175.374 174.900 0.056 0.000 1.039 117 G CA 0.377 45.496 45.100 0.031 0.000 0.759 117 G HN 0.525 nan 8.290 nan 0.000 0.501 118 A N -0.972 121.892 122.820 0.074 0.000 2.635 118 A HA 0.732 5.054 4.320 0.003 0.000 0.279 118 A C 1.586 179.292 177.584 0.203 0.000 1.122 118 A CA 1.364 53.473 52.037 0.121 0.000 0.965 118 A CB 0.275 19.309 19.000 0.056 0.000 1.221 118 A HN 0.764 nan 8.150 nan 0.000 0.566 119 S N -1.126 114.688 115.700 0.190 0.000 2.502 119 S HA 0.366 4.838 4.470 0.003 0.000 0.215 119 S C 1.542 176.324 174.600 0.304 0.000 1.009 119 S CA 0.717 59.059 58.200 0.237 0.000 0.908 119 S CB 0.428 63.697 63.200 0.114 0.000 0.801 119 S HN 1.672 nan 8.310 nan 0.000 0.505 120 G N 1.881 110.777 108.800 0.159 0.000 2.162 120 G HA2 -0.234 3.728 3.960 0.003 0.000 0.260 120 G HA3 -0.234 3.728 3.960 0.003 0.000 0.260 120 G C 0.237 175.120 174.900 -0.029 0.000 0.976 120 G CA 0.023 45.107 45.100 -0.027 0.000 0.655 120 G HN 0.893 nan 8.290 nan 0.000 0.533 121 A N 0.436 123.259 122.820 0.005 0.000 2.540 121 A HA 0.594 4.915 4.320 0.003 0.000 0.239 121 A C 1.166 178.698 177.584 -0.087 0.000 1.061 121 A CA 1.055 53.076 52.037 -0.027 0.000 0.758 121 A CB 0.177 19.170 19.000 -0.012 0.000 0.991 121 A HN 2.035 nan 8.150 nan 0.000 0.502 122 S N 1.704 117.311 115.700 -0.155 0.000 2.614 122 S HA 0.186 4.658 4.470 0.003 0.000 0.265 122 S C 0.707 175.192 174.600 -0.192 0.000 1.303 122 S CA 0.123 58.151 58.200 -0.287 0.000 1.000 122 S CB 0.701 63.499 63.200 -0.670 0.000 0.935 122 S HN 0.715 nan 8.310 nan 0.000 0.551 123 E N 1.542 121.634 120.200 -0.181 0.000 2.118 123 E HA -0.113 4.238 4.350 0.003 0.000 0.195 123 E C 2.137 178.686 176.600 -0.085 0.000 0.992 123 E CA 1.215 57.553 56.400 -0.104 0.000 0.804 123 E CB -0.744 28.909 29.700 -0.079 0.000 0.741 123 E HN 0.894 nan 8.360 nan 0.000 0.458 124 G N 0.499 109.235 108.800 -0.106 0.000 2.418 124 G HA2 -0.262 3.700 3.960 0.003 0.000 0.217 124 G HA3 -0.262 3.700 3.960 0.003 0.000 0.217 124 G C 1.640 176.515 174.900 -0.042 0.000 1.158 124 G CA 1.260 46.328 45.100 -0.054 0.000 0.771 124 G HN 0.182 nan 8.290 nan 0.000 0.545 125 T N 1.354 115.872 114.554 -0.061 0.000 2.746 125 T HA -0.059 4.293 4.350 0.003 0.000 0.267 125 T C 2.383 177.065 174.700 -0.029 0.000 1.039 125 T CA 0.998 63.077 62.100 -0.035 0.000 1.142 125 T CB -0.165 68.679 68.868 -0.039 0.000 0.866 125 T HN 0.243 nan 8.240 nan 0.000 0.444 126 I N 1.265 121.811 120.570 -0.040 0.000 2.226 126 I HA -0.184 3.987 4.170 0.003 0.000 0.245 126 I C 2.895 178.998 176.117 -0.024 0.000 1.100 126 I CA 1.086 62.367 61.300 -0.031 0.000 1.374 126 I CB -0.466 37.513 38.000 -0.035 0.000 1.057 126 I HN 0.193 nan 8.210 nan 0.000 0.413 127 A N 0.740 123.545 122.820 -0.025 0.000 1.933 127 A HA -0.180 4.142 4.320 0.003 0.000 0.218 127 A C 2.324 179.902 177.584 -0.010 0.000 1.175 127 A CA 1.270 53.297 52.037 -0.017 0.000 0.628 127 A CB -0.392 18.598 19.000 -0.016 0.000 0.814 127 A HN 0.254 nan 8.150 nan 0.000 0.444 128 R N -0.187 120.310 120.500 -0.006 0.000 2.096 128 R HA -0.025 4.317 4.340 0.003 0.000 0.235 128 R C 2.013 178.317 176.300 0.007 0.000 1.127 128 R CA 1.161 57.265 56.100 0.007 0.000 0.968 128 R CB -0.989 29.320 30.300 0.015 0.000 0.861 128 R HN 0.600 nan 8.270 nan 0.000 0.440 129 L N 0.114 121.334 121.223 -0.005 0.000 2.072 129 L HA -0.079 4.263 4.340 0.003 0.000 0.205 129 L C 2.492 179.349 176.870 -0.021 0.000 1.079 129 L CA 1.072 55.904 54.840 -0.013 0.000 0.752 129 L CB -0.469 41.578 42.059 -0.022 0.000 0.906 129 L HN 0.059 nan 8.230 nan 0.000 0.436 130 I N 0.027 120.585 120.570 -0.021 0.000 2.179 130 I HA -0.298 3.873 4.170 0.003 0.000 0.242 130 I C 2.153 178.259 176.117 -0.020 0.000 1.088 130 I CA 1.246 62.532 61.300 -0.023 0.000 1.357 130 I CB -0.408 37.580 38.000 -0.020 0.000 1.051 130 I HN 0.266 nan 8.210 nan 0.000 0.409 131 D N 0.766 121.158 120.400 -0.013 0.000 2.104 131 D HA -0.185 4.457 4.640 0.003 0.000 0.194 131 D C 2.132 178.426 176.300 -0.010 0.000 0.994 131 D CA 0.986 54.980 54.000 -0.011 0.000 0.830 131 D CB -0.373 40.422 40.800 -0.008 0.000 0.959 131 D HN 0.152 nan 8.370 nan 0.000 0.452 132 L N 0.781 122.004 121.223 -0.001 0.000 2.012 132 L HA -0.153 4.189 4.340 0.003 0.000 0.210 132 L C 2.143 178.995 176.870 -0.030 0.000 1.073 132 L CA 1.456 56.301 54.840 0.009 0.000 0.748 132 L CB -0.906 41.175 42.059 0.038 0.000 0.891 132 L HN 0.103 nan 8.230 nan 0.000 0.431 133 L N 0.076 121.268 121.223 -0.051 0.000 2.191 133 L HA -0.194 4.147 4.340 0.003 0.000 0.212 133 L C 2.010 178.848 176.870 -0.052 0.000 1.103 133 L CA 0.855 55.645 54.840 -0.084 0.000 0.769 133 L CB -0.566 41.444 42.059 -0.082 0.000 0.908 133 L HN 0.363 nan 8.230 nan 0.000 0.438 134 N N -0.547 118.139 118.700 -0.025 0.000 2.422 134 N HA -0.016 4.725 4.740 0.003 0.000 0.181 134 N C 0.971 176.490 175.510 0.015 0.000 1.080 134 N CA 0.442 53.489 53.050 -0.005 0.000 0.893 134 N CB 0.143 38.626 38.487 -0.006 0.000 0.973 134 N HN 0.341 nan 8.380 nan 0.000 0.456 135 S N 0.147 115.856 115.700 0.015 0.000 2.671 135 S HA 0.249 4.721 4.470 0.003 0.000 0.272 135 S C 0.662 175.330 174.600 0.114 0.000 1.174 135 S CA -0.504 57.719 58.200 0.038 0.000 1.004 135 S CB 1.115 64.319 63.200 0.007 0.000 1.077 135 S HN 0.075 nan 8.310 nan 0.000 0.553 136 E N -0.019 120.276 120.200 0.159 0.000 2.451 136 E HA 0.318 4.670 4.350 0.003 0.000 0.194 136 E C -0.467 176.436 176.600 0.505 0.000 1.027 136 E CA -0.075 56.519 56.400 0.324 0.000 0.914 136 E CB -0.041 29.758 29.700 0.165 0.000 1.054 136 E HN 0.439 nan 8.360 nan 0.000 0.461 137 L N 0.320 121.745 121.223 0.336 0.000 2.304 137 L HA 0.774 5.116 4.340 0.003 0.000 0.268 137 L C -0.194 176.787 176.870 0.185 0.000 1.010 137 L CA -1.113 53.950 54.840 0.373 0.000 0.813 137 L CB 1.608 43.760 42.059 0.155 0.000 1.315 137 L HN -0.079 nan 8.230 nan 0.000 0.445 138 A N 1.199 124.157 122.820 0.229 0.000 2.515 138 A HA 0.833 5.155 4.320 0.003 0.000 0.298 138 A C -2.795 174.874 177.584 0.140 0.000 1.059 138 A CA -1.456 50.573 52.037 -0.014 0.000 0.698 138 A CB 1.892 20.711 19.000 -0.302 0.000 1.289 138 A HN 0.370 nan 8.150 nan 0.000 0.404 139 P HA 0.374 nan 4.420 nan 0.000 0.275 139 P C -0.354 176.854 177.300 -0.154 0.000 1.228 139 P CA 0.055 63.002 63.100 -0.255 0.000 0.786 139 P CB 1.286 32.842 31.700 -0.241 0.000 0.927 140 A N 3.347 126.049 122.820 -0.195 0.000 2.391 140 A HA 0.455 4.777 4.320 0.003 0.000 0.316 140 A C -0.186 177.328 177.584 -0.117 0.000 1.381 140 A CA -0.389 51.591 52.037 -0.096 0.000 0.998 140 A CB -0.396 18.564 19.000 -0.067 0.000 1.147 140 A HN 0.355 nan 8.150 nan 0.000 0.545 141 V N 5.833 125.684 119.914 -0.104 0.000 2.540 141 V HA 0.410 4.532 4.120 0.003 0.000 0.302 141 V C -2.200 173.792 176.094 -0.170 0.000 1.035 141 V CA -1.777 60.440 62.300 -0.139 0.000 0.873 141 V CB 2.053 33.827 31.823 -0.081 0.000 0.992 141 V HN 0.802 nan 8.190 nan 0.000 0.428 142 P HA 0.073 nan 4.420 nan 0.000 0.268 142 P C 0.722 177.939 177.300 -0.138 0.000 1.205 142 P CA 0.093 63.054 63.100 -0.232 0.000 0.771 142 P CB 1.016 32.505 31.700 -0.353 0.000 0.858 143 S N 2.792 118.444 115.700 -0.079 0.000 2.461 143 S HA 0.008 4.479 4.470 0.003 0.000 0.228 143 S C 0.835 175.419 174.600 -0.027 0.000 1.005 143 S CA 0.147 58.322 58.200 -0.040 0.000 0.942 143 S CB -0.116 63.073 63.200 -0.019 0.000 0.776 143 S HN 0.416 nan 8.310 nan 0.000 0.514 144 R N -0.275 120.205 120.500 -0.034 0.000 2.787 144 R HA 0.629 4.971 4.340 0.003 0.000 0.271 144 R C 0.724 177.020 176.300 -0.007 0.000 0.993 144 R CA -0.100 55.992 56.100 -0.014 0.000 0.993 144 R CB 1.475 31.769 30.300 -0.010 0.000 1.155 144 R HN 0.314 nan 8.270 nan 0.000 0.486 145 G N 0.141 108.947 108.800 0.011 0.000 2.551 145 G HA2 -0.212 3.750 3.960 0.003 0.000 0.186 145 G HA3 -0.212 3.750 3.960 0.003 0.000 0.186 145 G C 0.030 174.947 174.900 0.029 0.000 1.002 145 G CA -0.029 45.086 45.100 0.025 0.000 0.723 145 G HN 0.610 nan 8.290 nan 0.000 0.481 146 T N 0.491 115.060 114.554 0.025 0.000 2.895 146 T HA 0.545 4.897 4.350 0.003 0.000 0.283 146 T C 1.330 176.049 174.700 0.030 0.000 1.014 146 T CA 0.405 62.520 62.100 0.025 0.000 1.037 146 T CB 1.692 70.572 68.868 0.021 0.000 1.006 146 T HN 1.149 nan 8.240 nan 0.000 0.468 147 V N 1.385 121.320 119.914 0.034 0.000 3.444 147 V HA 0.622 4.744 4.120 0.003 0.000 0.308 147 V C 1.147 177.274 176.094 0.054 0.000 1.371 147 V CA 0.207 62.534 62.300 0.045 0.000 1.141 147 V CB -1.273 30.578 31.823 0.047 0.000 1.037 147 V HN 1.377 nan 8.190 nan 0.000 0.433 153 L N -0.320 120.874 121.223 -0.048 0.000 2.017 153 L HA -0.140 4.202 4.340 0.003 0.000 0.208 153 L C 2.402 179.224 176.870 -0.080 0.000 1.073 153 L CA 1.441 56.230 54.840 -0.086 0.000 0.745 153 L CB -0.606 41.381 42.059 -0.120 0.000 0.894 153 L HN 0.089 nan 8.230 nan 0.000 0.432 154 T N 0.434 114.965 114.554 -0.038 0.000 2.643 154 T HA -0.088 4.264 4.350 0.003 0.000 0.264 154 T C -0.457 174.307 174.700 0.106 0.000 1.045 154 T CA 1.784 63.892 62.100 0.014 0.000 1.155 154 T CB -1.103 67.800 68.868 0.060 0.000 0.863 154 T HN 0.302 nan 8.240 nan 0.000 0.420 155 P HA 0.018 nan 4.420 nan 0.000 0.218 155 P C 1.556 178.883 177.300 0.045 0.000 1.149 155 P CA 0.963 64.109 63.100 0.077 0.000 0.817 155 P CB -0.224 31.485 31.700 0.015 0.000 0.785 156 L N -0.685 120.535 121.223 -0.004 0.000 2.141 156 L HA -0.072 4.270 4.340 0.003 0.000 0.209 156 L C 2.761 179.594 176.870 -0.061 0.000 1.094 156 L CA 1.277 56.097 54.840 -0.034 0.000 0.763 156 L CB -1.006 41.026 42.059 -0.045 0.000 0.908 156 L HN -0.057 nan 8.230 nan 0.000 0.437 157 A N -0.966 121.796 122.820 -0.098 0.000 1.898 157 A HA -0.210 4.112 4.320 0.003 0.000 0.216 157 A C 2.132 179.608 177.584 -0.179 0.000 1.181 157 A CA 1.201 53.130 52.037 -0.179 0.000 0.620 157 A CB -0.686 18.150 19.000 -0.274 0.000 0.819 157 A HN 0.390 nan 8.150 nan 0.000 0.442 158 H N -1.096 117.919 119.070 -0.091 0.000 2.387 158 H HA -0.111 4.447 4.556 0.003 0.000 0.299 158 H C 2.104 177.365 175.328 -0.113 0.000 1.090 158 H CA 1.798 57.792 56.048 -0.090 0.000 1.332 158 H CB -0.281 29.433 29.762 -0.081 0.000 1.386 158 H HN 0.590 nan 8.280 nan 0.000 0.516 159 M N 0.597 120.199 119.600 0.004 0.000 2.086 159 M HA -0.156 4.326 4.480 0.003 0.000 0.261 159 M C 2.126 178.382 176.300 -0.075 0.000 1.067 159 M CA 1.363 56.627 55.300 -0.060 0.000 1.116 159 M CB -0.141 32.428 32.600 -0.051 0.000 1.348 159 M HN -0.001 nan 8.290 nan 0.000 0.407 160 V N 1.322 121.195 119.914 -0.068 0.000 2.287 160 V HA -0.307 3.815 4.120 0.003 0.000 0.248 160 V C 2.456 178.514 176.094 -0.059 0.000 1.053 160 V CA 1.847 64.109 62.300 -0.063 0.000 1.027 160 V CB -0.766 31.008 31.823 -0.083 0.000 0.646 160 V HN 0.547 nan 8.190 nan 0.000 0.447 161 L N -0.869 120.310 121.223 -0.073 0.000 2.042 161 L HA -0.237 4.105 4.340 0.003 0.000 0.210 161 L C 2.660 179.495 176.870 -0.058 0.000 1.076 161 L CA 1.679 56.488 54.840 -0.051 0.000 0.749 161 L CB -0.786 41.241 42.059 -0.052 0.000 0.893 161 L HN 0.409 nan 8.230 nan 0.000 0.432 162 C N -0.105 119.116 119.300 -0.132 0.000 2.432 162 C HA -0.158 4.304 4.460 0.003 0.000 0.277 162 C C 2.661 177.568 174.990 -0.139 0.000 1.249 162 C CA 0.441 59.275 59.018 -0.308 0.000 1.725 162 C CB -0.877 26.514 27.740 -0.583 0.000 2.028 162 C HN 0.441 nan 8.230 nan 0.000 0.477 163 L N 0.358 121.564 121.223 -0.029 0.000 2.353 163 L HA -0.172 4.170 4.340 0.003 0.000 0.220 163 L C 2.385 179.331 176.870 0.127 0.000 1.133 163 L CA 1.249 56.172 54.840 0.137 0.000 0.798 163 L CB -0.647 41.455 42.059 0.072 0.000 0.922 163 L HN 0.543 nan 8.230 nan 0.000 0.445 164 Q N -0.473 119.371 119.800 0.074 0.000 2.319 164 Q HA 0.133 4.475 4.340 0.003 0.000 0.202 164 Q C 1.329 177.384 176.000 0.091 0.000 0.896 164 Q CA 0.490 56.332 55.803 0.066 0.000 0.942 164 Q CB 0.729 29.486 28.738 0.031 0.000 1.083 164 Q HN 0.539 nan 8.270 nan 0.000 0.510 165 G N 1.794 110.679 108.800 0.142 0.000 2.136 165 G HA2 -0.303 3.659 3.960 0.003 0.000 0.242 165 G HA3 -0.303 3.659 3.960 0.003 0.000 0.242 165 G C 0.504 175.468 174.900 0.106 0.000 0.989 165 G CA 0.055 45.257 45.100 0.171 0.000 0.682 165 G HN 0.308 nan 8.290 nan 0.000 0.522 166 R N 0.034 120.571 120.500 0.061 0.000 2.552 166 R HA 0.473 4.815 4.340 0.003 0.000 0.314 166 R C 0.973 177.282 176.300 0.015 0.000 1.041 166 R CA 0.482 56.606 56.100 0.040 0.000 1.076 166 R CB 0.850 31.173 30.300 0.038 0.000 1.290 166 R HN 0.538 nan 8.270 nan 0.000 0.563 167 G N -0.287 108.505 108.800 -0.012 0.000 2.698 167 G HA2 0.231 4.192 3.960 0.003 0.000 0.293 167 G HA3 0.231 4.192 3.960 0.003 0.000 0.293 167 G C -1.493 173.340 174.900 -0.112 0.000 1.437 167 G CA -0.669 44.394 45.100 -0.062 0.000 0.852 167 G HN -0.125 nan 8.290 nan 0.000 0.499 168 D N -0.519 119.827 120.400 -0.090 0.000 2.360 168 D HA 0.580 5.222 4.640 0.003 0.000 0.242 168 D C -0.457 175.724 176.300 -0.198 0.000 1.184 168 D CA 0.536 54.515 54.000 -0.036 0.000 0.930 168 D CB 0.840 41.647 40.800 0.011 0.000 1.161 168 D HN 0.105 nan 8.370 nan 0.000 0.447 169 F N -0.678 119.298 119.950 0.043 0.000 2.631 169 F HA 0.523 5.052 4.527 0.003 0.000 0.328 169 F C -0.228 175.619 175.800 0.079 0.000 1.067 169 F CA -0.907 57.127 58.000 0.057 0.000 0.969 169 F CB 1.204 40.239 39.000 0.057 0.000 1.332 169 F HN -0.074 nan 8.300 nan 0.000 0.490 170 L N 1.732 123.162 121.223 0.344 0.000 2.365 170 L HA 0.412 4.754 4.340 0.003 0.000 0.273 170 L C -0.930 176.161 176.870 0.370 0.000 1.000 170 L CA -1.035 53.981 54.840 0.294 0.000 0.819 170 L CB 1.829 44.067 42.059 0.297 0.000 1.284 170 L HN 0.592 nan 8.230 nan 0.000 0.418 171 D N 1.989 122.504 120.400 0.193 0.000 2.432 171 D HA 0.197 4.839 4.640 0.003 0.000 0.258 171 D C 0.818 176.982 176.300 -0.227 0.000 1.146 171 D CA -0.571 53.475 54.000 0.077 0.000 1.015 171 D CB 1.022 41.823 40.800 0.001 0.000 1.107 171 D HN 0.375 nan 8.370 nan 0.000 0.529 172 R N -0.353 119.775 120.500 -0.621 0.000 2.133 172 R HA -0.141 4.201 4.340 0.003 0.000 0.247 172 R C 0.989 176.913 176.300 -0.627 0.000 1.151 172 R CA 1.724 57.075 56.100 -1.248 0.000 0.971 172 R CB -0.206 29.502 30.300 -0.986 0.000 0.866 172 R HN 0.561 nan 8.270 nan 0.000 0.447 173 D N -1.322 118.887 120.400 -0.319 0.000 2.363 173 D HA 0.012 4.653 4.640 0.003 0.000 0.220 173 D C 1.259 177.509 176.300 -0.085 0.000 0.994 173 D CA 1.172 55.071 54.000 -0.168 0.000 0.890 173 D CB 0.550 41.282 40.800 -0.112 0.000 0.906 173 D HN 0.509 nan 8.370 nan 0.000 0.530 174 G N 1.280 110.047 108.800 -0.055 0.000 2.194 174 G HA2 -0.269 3.693 3.960 0.003 0.000 0.236 174 G HA3 -0.269 3.693 3.960 0.003 0.000 0.236 174 G C 0.666 175.588 174.900 0.037 0.000 0.987 174 G CA 0.412 45.530 45.100 0.030 0.000 0.635 174 G HN 0.435 nan 8.290 nan 0.000 0.520 175 T N -0.252 114.312 114.554 0.016 0.000 2.888 175 T HA 0.548 4.900 4.350 0.003 0.000 0.301 175 T C 0.534 175.268 174.700 0.057 0.000 1.001 175 T CA -0.035 62.081 62.100 0.026 0.000 1.147 175 T CB 1.124 69.997 68.868 0.009 0.000 0.931 175 T HN 0.527 nan 8.240 nan 0.000 0.541 176 R N 2.279 122.813 120.500 0.058 0.000 2.410 176 R HA 0.599 4.941 4.340 0.003 0.000 0.288 176 R C -0.311 176.039 176.300 0.085 0.000 1.051 176 R CA -0.667 55.480 56.100 0.079 0.000 1.021 176 R CB 0.814 31.150 30.300 0.060 0.000 1.032 176 R HN 0.607 nan 8.270 nan 0.000 0.481 177 L N 1.854 123.153 121.223 0.127 0.000 2.354 177 L HA 0.345 4.687 4.340 0.003 0.000 0.269 177 L C -0.259 176.706 176.870 0.159 0.000 1.005 177 L CA -1.291 53.625 54.840 0.126 0.000 0.819 177 L CB 1.942 44.081 42.059 0.132 0.000 1.311 177 L HN 0.672 nan 8.230 nan 0.000 0.423 178 D N 0.857 121.331 120.400 0.123 0.000 2.371 178 D HA 0.140 4.782 4.640 0.003 0.000 0.242 178 D C 1.262 177.685 176.300 0.204 0.000 1.218 178 D CA -0.075 54.001 54.000 0.127 0.000 0.945 178 D CB 0.878 41.727 40.800 0.081 0.000 1.137 178 D HN 0.577 nan 8.370 nan 0.000 0.464 179 G N -0.132 108.784 108.800 0.193 0.000 2.529 179 G HA2 -0.282 3.679 3.960 0.003 0.000 0.219 179 G HA3 -0.282 3.679 3.960 0.003 0.000 0.219 179 G C 1.504 176.540 174.900 0.227 0.000 1.177 179 G CA 1.700 46.966 45.100 0.275 0.000 0.773 179 G HN 0.699 nan 8.290 nan 0.000 0.573 180 A N 0.598 123.492 122.820 0.123 0.000 1.902 180 A HA -0.038 4.284 4.320 0.003 0.000 0.217 180 A C 2.215 179.820 177.584 0.035 0.000 1.181 180 A CA 2.306 54.385 52.037 0.070 0.000 0.623 180 A CB -0.427 18.603 19.000 0.049 0.000 0.818 180 A HN 0.437 nan 8.150 nan 0.000 0.443 181 E N 0.107 120.333 120.200 0.043 0.000 2.106 181 E HA -0.016 4.336 4.350 0.003 0.000 0.192 181 E C 1.944 178.511 176.600 -0.056 0.000 0.984 181 E CA 1.484 57.889 56.400 0.007 0.000 0.806 181 E CB -0.794 28.924 29.700 0.029 0.000 0.750 181 E HN 0.386 nan 8.360 nan 0.000 0.458 182 G N 0.832 109.591 108.800 -0.068 0.000 2.421 182 G HA2 -0.218 3.744 3.960 0.003 0.000 0.216 182 G HA3 -0.218 3.744 3.960 0.003 0.000 0.216 182 G C 1.600 176.151 174.900 -0.582 0.000 1.171 182 G CA 0.918 45.749 45.100 -0.449 0.000 0.775 182 G HN 0.305 nan 8.290 nan 0.000 0.543 183 L N -0.300 120.722 121.223 -0.334 0.000 2.046 183 L HA -0.067 4.275 4.340 0.003 0.000 0.208 183 L C 3.208 179.989 176.870 -0.147 0.000 1.077 183 L CA 1.129 55.843 54.840 -0.211 0.000 0.747 183 L CB -0.378 41.651 42.059 -0.048 0.000 0.896 183 L HN 0.173 nan 8.230 nan 0.000 0.432 184 R N -0.301 120.137 120.500 -0.103 0.000 2.061 184 R HA -0.154 4.188 4.340 0.003 0.000 0.230 184 R C 2.461 178.713 176.300 -0.080 0.000 1.140 184 R CA 1.396 57.455 56.100 -0.069 0.000 0.940 184 R CB -0.370 29.905 30.300 -0.041 0.000 0.839 184 R HN 0.208 nan 8.270 nan 0.000 0.429 185 R N 0.144 120.586 120.500 -0.096 0.000 2.096 185 R HA -0.093 4.249 4.340 0.003 0.000 0.235 185 R C 1.944 178.187 176.300 -0.094 0.000 1.127 185 R CA 1.669 57.720 56.100 -0.082 0.000 0.968 185 R CB -0.293 29.964 30.300 -0.071 0.000 0.861 185 R HN 0.351 nan 8.270 nan 0.000 0.440 186 G N -0.513 108.193 108.800 -0.156 0.000 2.985 186 G HA2 -0.042 3.919 3.960 0.003 0.000 0.209 186 G HA3 -0.042 3.919 3.960 0.003 0.000 0.209 186 G C -0.224 174.616 174.900 -0.099 0.000 1.165 186 G CA -0.276 44.742 45.100 -0.136 0.000 0.776 186 G HN 0.319 nan 8.290 nan 0.000 0.541 187 R N -1.018 119.428 120.500 -0.091 0.000 3.209 187 R HA -0.133 4.209 4.340 0.003 0.000 0.252 187 R C -0.838 175.427 176.300 -0.058 0.000 0.958 187 R CA 0.328 56.392 56.100 -0.060 0.000 0.651 187 R CB -2.228 28.049 30.300 -0.039 0.000 1.142 187 R HN 0.333 nan 8.270 nan 0.000 0.441 188 L N 0.793 121.969 121.223 -0.078 0.000 2.346 188 L HA 0.384 4.726 4.340 0.003 0.000 0.274 188 L C 0.623 177.479 176.870 -0.024 0.000 1.007 188 L CA -0.856 53.952 54.840 -0.053 0.000 0.818 188 L CB 1.974 43.983 42.059 -0.083 0.000 1.284 188 L HN 0.125 nan 8.230 nan 0.000 0.424 189 Q N 3.452 123.251 119.800 -0.002 0.000 2.230 189 Q HA 0.338 4.680 4.340 0.003 0.000 0.248 189 Q C -2.247 173.771 176.000 0.029 0.000 0.915 189 Q CA -1.863 53.947 55.803 0.010 0.000 0.900 189 Q CB 1.263 30.007 28.738 0.010 0.000 1.229 189 Q HN 0.329 nan 8.270 nan 0.000 0.439 190 P HA -0.055 nan 4.420 nan 0.000 0.267 190 P C -0.665 176.661 177.300 0.043 0.000 1.205 190 P CA -0.301 62.828 63.100 0.049 0.000 0.765 190 P CB 0.490 32.216 31.700 0.043 0.000 0.828 191 L N 3.528 124.780 121.223 0.047 0.000 2.513 191 L HA 0.130 4.471 4.340 0.003 0.000 0.272 191 L C 0.036 176.925 176.870 0.032 0.000 1.187 191 L CA 0.752 55.614 54.840 0.035 0.000 0.895 191 L CB -0.598 41.479 42.059 0.029 0.000 1.147 191 L HN 0.292 nan 8.230 nan 0.000 0.483 192 D N 4.925 125.348 120.400 0.039 0.000 2.425 192 D HA 0.232 4.874 4.640 0.003 0.000 0.240 192 D C -0.088 176.254 176.300 0.069 0.000 1.080 192 D CA -0.209 53.819 54.000 0.048 0.000 0.836 192 D CB 0.866 41.702 40.800 0.059 0.000 1.125 192 D HN 0.628 nan 8.370 nan 0.000 0.525 193 L N 3.184 124.437 121.223 0.050 0.000 2.848 193 L HA 0.095 4.436 4.340 0.003 0.000 0.240 193 L C 1.928 178.837 176.870 0.066 0.000 1.232 193 L CA -0.162 54.715 54.840 0.061 0.000 1.031 193 L CB -0.085 41.987 42.059 0.022 0.000 1.338 193 L HN 0.362 nan 8.230 nan 0.000 0.509 194 S N -2.050 113.684 115.700 0.057 0.000 2.440 194 S HA -0.217 4.255 4.470 0.003 0.000 0.238 194 S C 1.451 176.003 174.600 -0.079 0.000 1.010 194 S CA 1.000 59.181 58.200 -0.032 0.000 0.972 194 S CB -0.452 62.691 63.200 -0.096 0.000 0.774 194 S HN 0.543 nan 8.310 nan 0.000 0.501 195 H N 1.506 120.571 119.070 -0.009 0.000 2.556 195 H HA 0.352 4.910 4.556 0.003 0.000 0.268 195 H C 0.665 175.986 175.328 -0.012 0.000 0.996 195 H CA 0.477 56.516 56.048 -0.015 0.000 1.157 195 H CB -0.104 29.646 29.762 -0.020 0.000 1.355 195 H HN 0.368 nan 8.280 nan 0.000 0.597 196 R N 0.754 121.309 120.500 0.091 0.000 3.656 196 R HA -0.130 4.212 4.340 0.003 0.000 0.297 196 R C -0.703 175.647 176.300 0.082 0.000 1.166 196 R CA 0.837 56.977 56.100 0.068 0.000 0.799 196 R CB -1.865 28.464 30.300 0.049 0.000 1.285 196 R HN 0.535 nan 8.270 nan 0.000 0.477 197 D N -0.782 119.669 120.400 0.085 0.000 2.491 197 D HA 0.223 4.864 4.640 0.003 0.000 0.228 197 D C 1.259 177.597 176.300 0.063 0.000 1.183 197 D CA 0.358 54.401 54.000 0.073 0.000 0.827 197 D CB 0.306 41.130 40.800 0.042 0.000 0.989 197 D HN 0.305 nan 8.370 nan 0.000 0.494 198 A N 0.454 123.307 122.820 0.056 0.000 1.940 198 A HA -0.119 4.203 4.320 0.003 0.000 0.219 198 A C 1.957 179.556 177.584 0.025 0.000 1.176 198 A CA 0.803 52.852 52.037 0.021 0.000 0.631 198 A CB -0.540 18.457 19.000 -0.003 0.000 0.814 198 A HN 0.287 nan 8.150 nan 0.000 0.446 199 L N -0.633 120.636 121.223 0.078 0.000 2.456 199 L HA -0.048 4.293 4.340 0.003 0.000 0.224 199 L C 2.682 179.600 176.870 0.081 0.000 1.148 199 L CA 1.237 56.132 54.840 0.092 0.000 0.825 199 L CB -0.469 41.698 42.059 0.180 0.000 0.937 199 L HN 0.391 nan 8.230 nan 0.000 0.450 200 A N -1.143 121.725 122.820 0.080 0.000 2.067 200 A HA 0.021 4.343 4.320 0.003 0.000 0.217 200 A C 2.123 179.723 177.584 0.027 0.000 1.156 200 A CA 1.033 53.110 52.037 0.066 0.000 0.683 200 A CB -0.283 18.755 19.000 0.064 0.000 0.808 200 A HN 0.405 nan 8.150 nan 0.000 0.455 201 L N -1.130 120.098 121.223 0.009 0.000 2.425 201 L HA 0.126 4.468 4.340 0.003 0.000 0.215 201 L C -0.002 176.850 176.870 -0.030 0.000 1.065 201 L CA 0.194 55.026 54.840 -0.014 0.000 0.842 201 L CB 0.366 42.412 42.059 -0.023 0.000 1.033 201 L HN 0.047 nan 8.230 nan 0.000 0.474 202 V N 1.849 121.739 119.914 -0.040 0.000 2.217 202 V HA 0.400 4.522 4.120 0.003 0.000 0.264 202 V C -0.500 175.568 176.094 -0.044 0.000 1.107 202 V CA -0.254 62.003 62.300 -0.071 0.000 0.913 202 V CB -0.118 31.625 31.823 -0.133 0.000 1.153 202 V HN 0.323 nan 8.190 nan 0.000 0.469 203 N N 1.894 120.581 118.700 -0.022 0.000 3.348 203 N HA 0.505 5.247 4.740 0.003 0.000 0.233 203 N C -0.092 175.434 175.510 0.028 0.000 1.440 203 N CA 0.609 53.663 53.050 0.006 0.000 0.887 203 N CB 2.206 40.715 38.487 0.036 0.000 1.410 203 N HN 0.777 nan 8.380 nan 0.000 0.502 204 G N -0.051 108.796 108.800 0.078 0.000 2.698 204 G HA2 -0.234 3.728 3.960 0.003 0.000 0.233 204 G HA3 -0.234 3.728 3.960 0.003 0.000 0.233 204 G C 0.199 175.142 174.900 0.071 0.000 1.352 204 G CA 0.458 45.610 45.100 0.087 0.000 0.879 204 G HN 1.225 nan 8.290 nan 0.000 0.567 205 T N -2.960 111.623 114.554 0.047 0.000 3.258 205 T HA 0.562 4.914 4.350 0.003 0.000 0.263 205 T C 1.834 176.540 174.700 0.009 0.000 0.983 205 T CA 0.949 63.069 62.100 0.034 0.000 0.907 205 T CB 0.414 69.299 68.868 0.029 0.000 1.096 205 T HN 0.853 nan 8.240 nan 0.000 0.556 206 S N 1.822 117.523 115.700 0.002 0.000 2.374 206 S HA -0.104 4.368 4.470 0.003 0.000 0.227 206 S C 2.481 177.073 174.600 -0.013 0.000 1.037 206 S CA 1.366 59.559 58.200 -0.012 0.000 1.024 206 S CB -0.644 62.545 63.200 -0.018 0.000 0.861 206 S HN 0.836 nan 8.310 nan 0.000 0.456 207 A N 2.625 125.441 122.820 -0.006 0.000 1.855 207 A HA -0.091 4.231 4.320 0.003 0.000 0.215 207 A C 2.290 179.877 177.584 0.005 0.000 1.191 207 A CA 1.805 53.839 52.037 -0.005 0.000 0.613 207 A CB -0.814 18.186 19.000 -0.001 0.000 0.829 207 A HN 0.667 nan 8.150 nan 0.000 0.442 208 M N -1.527 118.080 119.600 0.012 0.000 2.213 208 M HA -0.085 4.397 4.480 0.003 0.000 0.263 208 M C 1.766 178.074 176.300 0.012 0.000 1.062 208 M CA 2.286 57.597 55.300 0.019 0.000 1.105 208 M CB -1.269 31.345 32.600 0.023 0.000 1.385 208 M HN 0.156 nan 8.290 nan 0.000 0.417 209 T N 1.070 115.622 114.554 -0.003 0.000 2.857 209 T HA 0.029 4.381 4.350 0.003 0.000 0.266 209 T C 1.968 176.665 174.700 -0.006 0.000 1.048 209 T CA 1.534 63.623 62.100 -0.017 0.000 1.139 209 T CB -0.655 68.194 68.868 -0.032 0.000 0.874 209 T HN 0.717 nan 8.240 nan 0.000 0.455 210 G N 1.322 110.118 108.800 -0.007 0.000 2.402 210 G HA2 -0.107 3.854 3.960 0.003 0.000 0.216 210 G HA3 -0.107 3.854 3.960 0.003 0.000 0.216 210 G C 1.516 176.429 174.900 0.023 0.000 1.162 210 G CA 0.412 45.508 45.100 -0.007 0.000 0.777 210 G HN 0.478 nan 8.290 nan 0.000 0.539 211 I N 1.434 122.023 120.570 0.031 0.000 2.226 211 I HA -0.164 4.008 4.170 0.003 0.000 0.245 211 I C 3.269 179.438 176.117 0.088 0.000 1.100 211 I CA 1.014 62.348 61.300 0.056 0.000 1.374 211 I CB -0.178 37.852 38.000 0.050 0.000 1.057 211 I HN 0.235 nan 8.210 nan 0.000 0.413 212 A N 1.282 124.154 122.820 0.088 0.000 1.933 212 A HA -0.171 4.151 4.320 0.003 0.000 0.218 212 A C 2.248 179.935 177.584 0.172 0.000 1.175 212 A CA 1.803 53.929 52.037 0.148 0.000 0.628 212 A CB -0.830 18.225 19.000 0.092 0.000 0.814 212 A HN 0.519 nan 8.150 nan 0.000 0.444 213 L N -2.064 119.224 121.223 0.109 0.000 2.217 213 L HA 0.030 4.372 4.340 0.003 0.000 0.211 213 L C 1.926 178.904 176.870 0.181 0.000 1.107 213 L CA 1.467 56.381 54.840 0.123 0.000 0.783 213 L CB -0.960 41.139 42.059 0.067 0.000 0.919 213 L HN 0.005 nan 8.230 nan 0.000 0.442 214 V N 0.796 120.816 119.914 0.177 0.000 2.453 214 V HA -0.154 3.967 4.120 0.003 0.000 0.247 214 V C 2.438 178.655 176.094 0.205 0.000 1.048 214 V CA 1.650 64.094 62.300 0.239 0.000 1.049 214 V CB -0.935 30.999 31.823 0.186 0.000 0.672 214 V HN 0.495 nan 8.190 nan 0.000 0.457 215 N N 0.960 119.756 118.700 0.160 0.000 2.104 215 N HA -0.144 4.598 4.740 0.003 0.000 0.190 215 N C 1.934 177.502 175.510 0.098 0.000 1.024 215 N CA 1.747 54.869 53.050 0.121 0.000 0.853 215 N CB -0.612 37.931 38.487 0.093 0.000 1.008 215 N HN 0.474 nan 8.380 nan 0.000 0.424 216 A N 0.470 123.374 122.820 0.139 0.000 1.883 216 A HA -0.239 4.083 4.320 0.003 0.000 0.217 216 A C 2.137 179.755 177.584 0.056 0.000 1.186 216 A CA 2.042 54.146 52.037 0.112 0.000 0.624 216 A CB -1.083 18.035 19.000 0.198 0.000 0.822 216 A HN 0.475 nan 8.150 nan 0.000 0.444 217 H N -0.267 118.784 119.070 -0.032 0.000 2.321 217 H HA 0.020 4.577 4.556 0.003 0.000 0.300 217 H C 2.221 177.499 175.328 -0.084 0.000 1.087 217 H CA 2.054 58.007 56.048 -0.158 0.000 1.319 217 H CB -0.257 29.260 29.762 -0.408 0.000 1.379 217 H HN 0.409 nan 8.280 nan 0.000 0.501 218 A N -0.418 122.444 122.820 0.069 0.000 1.902 218 A HA -0.180 4.142 4.320 0.003 0.000 0.217 218 A C 2.708 180.294 177.584 0.004 0.000 1.181 218 A CA 1.481 53.558 52.037 0.067 0.000 0.623 218 A CB -1.192 17.875 19.000 0.111 0.000 0.818 218 A HN 0.648 nan 8.150 nan 0.000 0.443 219 C N -1.300 118.018 119.300 0.030 0.000 2.435 219 C HA -0.024 4.438 4.460 0.003 0.000 0.279 219 C C 2.775 177.756 174.990 -0.016 0.000 1.321 219 C CA 1.110 60.184 59.018 0.093 0.000 1.752 219 C CB -1.345 26.479 27.740 0.140 0.000 1.959 219 C HN 0.728 nan 8.230 nan 0.000 0.500 220 R N -0.075 120.321 120.500 -0.173 0.000 2.073 220 R HA -0.125 4.217 4.340 0.003 0.000 0.234 220 R C 2.265 178.361 176.300 -0.341 0.000 1.134 220 R CA 1.517 57.428 56.100 -0.316 0.000 0.952 220 R CB -0.421 29.596 30.300 -0.471 0.000 0.850 220 R HN 0.601 nan 8.270 nan 0.000 0.433 221 H N 0.531 119.469 119.070 -0.220 0.000 2.326 221 H HA -0.091 4.467 4.556 0.003 0.000 0.301 221 H C 2.197 177.508 175.328 -0.027 0.000 1.081 221 H CA 1.657 57.621 56.048 -0.141 0.000 1.334 221 H CB -0.179 29.500 29.762 -0.138 0.000 1.385 221 H HN 0.246 nan 8.280 nan 0.000 0.504 222 L N -0.197 120.999 121.223 -0.046 0.000 2.083 222 L HA -0.087 4.255 4.340 0.003 0.000 0.209 222 L C 2.778 179.496 176.870 -0.254 0.000 1.083 222 L CA 1.047 55.682 54.840 -0.341 0.000 0.752 222 L CB -0.762 40.715 42.059 -0.969 0.000 0.899 222 L HN 0.298 nan 8.230 nan 0.000 0.433 223 G N -0.061 108.717 108.800 -0.036 0.000 2.422 223 G HA2 -0.256 3.706 3.960 0.003 0.000 0.218 223 G HA3 -0.256 3.706 3.960 0.003 0.000 0.218 223 G C 1.390 176.378 174.900 0.146 0.000 1.146 223 G CA 0.574 45.835 45.100 0.269 0.000 0.769 223 G HN 0.318 nan 8.290 nan 0.000 0.547 224 N N 0.117 118.791 118.700 -0.044 0.000 2.188 224 N HA -0.089 4.653 4.740 0.003 0.000 0.184 224 N C 1.841 177.267 175.510 -0.139 0.000 1.018 224 N CA 0.871 53.841 53.050 -0.133 0.000 0.858 224 N CB -0.355 37.988 38.487 -0.241 0.000 0.989 224 N HN 0.585 nan 8.380 nan 0.000 0.426 225 W N 1.663 122.915 121.300 -0.080 0.000 2.381 225 W HA 0.030 4.692 4.660 0.003 0.000 0.301 225 W C 2.529 179.022 176.519 -0.044 0.000 1.205 225 W CA 1.266 58.561 57.345 -0.083 0.000 1.285 225 W CB -0.458 28.908 29.460 -0.157 0.000 1.133 225 W HN 0.032 nan 8.180 nan 0.000 0.521 226 A N -0.162 122.778 122.820 0.200 0.000 1.908 226 A HA -0.202 4.120 4.320 0.003 0.000 0.218 226 A C 1.996 179.667 177.584 0.145 0.000 1.181 226 A CA 2.249 54.415 52.037 0.216 0.000 0.627 226 A CB -1.128 18.091 19.000 0.365 0.000 0.818 226 A HN 0.115 nan 8.150 nan 0.000 0.445 227 V N -0.453 119.533 119.914 0.120 0.000 2.323 227 V HA -0.185 3.937 4.120 0.003 0.000 0.244 227 V C 3.051 179.130 176.094 -0.026 0.000 1.041 227 V CA 1.865 64.179 62.300 0.024 0.000 1.025 227 V CB -1.112 30.732 31.823 0.036 0.000 0.656 227 V HN 0.613 nan 8.190 nan 0.000 0.451 228 A N -0.483 122.315 122.820 -0.037 0.000 1.972 228 A HA -0.116 4.206 4.320 0.003 0.000 0.219 228 A C 2.157 179.761 177.584 0.034 0.000 1.169 228 A CA 1.597 53.601 52.037 -0.056 0.000 0.635 228 A CB -0.441 18.441 19.000 -0.197 0.000 0.810 228 A HN 0.526 nan 8.150 nan 0.000 0.446 229 L N -1.352 119.930 121.223 0.099 0.000 2.209 229 L HA -0.061 4.280 4.340 0.003 0.000 0.207 229 L C 2.582 179.514 176.870 0.104 0.000 1.094 229 L CA 1.316 56.231 54.840 0.125 0.000 0.790 229 L CB -0.713 41.443 42.059 0.161 0.000 0.932 229 L HN 0.283 nan 8.230 nan 0.000 0.447 230 T N 0.232 114.838 114.554 0.087 0.000 2.821 230 T HA -0.121 4.231 4.350 0.003 0.000 0.267 230 T C 2.056 176.862 174.700 0.177 0.000 1.046 230 T CA 1.316 63.478 62.100 0.103 0.000 1.139 230 T CB -0.081 68.794 68.868 0.012 0.000 0.871 230 T HN 0.418 nan 8.240 nan 0.000 0.454 231 A N 1.385 124.273 122.820 0.112 0.000 1.858 231 A HA -0.001 4.321 4.320 0.003 0.000 0.216 231 A C 2.200 179.898 177.584 0.190 0.000 1.190 231 A CA 1.204 53.365 52.037 0.207 0.000 0.617 231 A CB -0.872 18.184 19.000 0.094 0.000 0.827 231 A HN 0.394 nan 8.150 nan 0.000 0.443 232 L N -0.715 120.579 121.223 0.118 0.000 2.131 232 L HA -0.101 4.241 4.340 0.003 0.000 0.210 232 L C 2.191 179.116 176.870 0.092 0.000 1.092 232 L CA 1.734 56.630 54.840 0.093 0.000 0.759 232 L CB -0.688 41.417 42.059 0.077 0.000 0.903 232 L HN 0.388 nan 8.230 nan 0.000 0.435 233 L N -0.188 121.101 121.223 0.111 0.000 2.046 233 L HA -0.107 4.235 4.340 0.003 0.000 0.208 233 L C 2.513 179.441 176.870 0.097 0.000 1.077 233 L CA 2.094 56.992 54.840 0.095 0.000 0.747 233 L CB -1.091 41.035 42.059 0.113 0.000 0.896 233 L HN 0.254 nan 8.230 nan 0.000 0.432 234 A N -0.807 122.104 122.820 0.152 0.000 1.940 234 A HA -0.225 4.097 4.320 0.003 0.000 0.219 234 A C 2.125 179.731 177.584 0.036 0.000 1.176 234 A CA 1.866 53.955 52.037 0.087 0.000 0.631 234 A CB -0.639 18.433 19.000 0.119 0.000 0.814 234 A HN 0.650 nan 8.150 nan 0.000 0.446 235 E N -1.204 119.032 120.200 0.060 0.000 2.347 235 E HA -0.102 4.249 4.350 0.003 0.000 0.196 235 E C 1.548 178.161 176.600 0.022 0.000 1.008 235 E CA 0.844 57.264 56.400 0.034 0.000 0.852 235 E CB -0.227 29.500 29.700 0.045 0.000 0.783 235 E HN 0.686 nan 8.360 nan 0.000 0.505 236 C N -0.042 119.274 119.300 0.026 0.000 2.735 236 C HA 0.185 4.646 4.460 0.003 0.000 0.271 236 C C 1.675 176.669 174.990 0.006 0.000 1.281 236 C CA -0.037 58.990 59.018 0.015 0.000 1.719 236 C CB -0.137 27.612 27.740 0.014 0.000 2.024 236 C HN 0.318 nan 8.230 nan 0.000 0.566 237 L N -0.026 121.200 121.223 0.006 0.000 3.168 237 L HA 0.284 4.626 4.340 0.003 0.000 0.277 237 L C 0.265 177.126 176.870 -0.016 0.000 1.245 237 L CA -0.084 54.754 54.840 -0.003 0.000 1.035 237 L CB -0.251 41.810 42.059 0.003 0.000 1.399 237 L HN 0.227 nan 8.230 nan 0.000 0.580 238 R N 0.642 121.130 120.500 -0.020 0.000 3.333 238 R HA -0.156 4.186 4.340 0.003 0.000 0.256 238 R C 0.686 176.948 176.300 -0.064 0.000 1.010 238 R CA 0.450 56.529 56.100 -0.035 0.000 0.680 238 R CB -1.942 28.344 30.300 -0.024 0.000 1.102 238 R HN 0.498 nan 8.270 nan 0.000 0.440 239 G N 0.672 109.420 108.800 -0.088 0.000 2.544 239 G HA2 0.188 4.150 3.960 0.003 0.000 0.242 239 G HA3 0.188 4.150 3.960 0.003 0.000 0.242 239 G C 0.045 174.794 174.900 -0.252 0.000 1.247 239 G CA -0.569 44.433 45.100 -0.163 0.000 0.840 239 G HN 0.251 nan 8.290 nan 0.000 0.578 240 R N 0.508 120.828 120.500 -0.300 0.000 2.221 240 R HA 0.240 4.581 4.340 0.003 0.000 0.327 240 R C 1.553 177.538 176.300 -0.525 0.000 1.033 240 R CA 0.179 56.097 56.100 -0.304 0.000 0.887 240 R CB 0.930 31.115 30.300 -0.193 0.000 1.057 240 R HN 0.705 nan 8.270 nan 0.000 0.455 241 T N -1.179 113.112 114.554 -0.439 0.000 3.055 241 T HA -0.133 4.219 4.350 0.003 0.000 0.265 241 T C 1.441 175.989 174.700 -0.254 0.000 1.111 241 T CA 0.878 62.702 62.100 -0.459 0.000 1.118 241 T CB -0.028 68.721 68.868 -0.198 0.000 0.909 241 T HN 0.739 nan 8.240 nan 0.000 0.501 242 E N 1.959 122.051 120.200 -0.180 0.000 2.204 242 E HA -0.062 4.290 4.350 0.003 0.000 0.195 242 E C 2.233 178.805 176.600 -0.047 0.000 0.990 242 E CA 0.997 57.352 56.400 -0.076 0.000 0.821 242 E CB -0.607 29.063 29.700 -0.050 0.000 0.750 242 E HN 0.607 nan 8.360 nan 0.000 0.477 243 A N 0.689 123.434 122.820 -0.125 0.000 2.121 243 A HA -0.090 4.232 4.320 0.003 0.000 0.218 243 A C 0.985 178.703 177.584 0.224 0.000 1.154 243 A CA 0.717 52.747 52.037 -0.012 0.000 0.679 243 A CB -0.613 18.346 19.000 -0.069 0.000 0.795 243 A HN 0.502 nan 8.150 nan 0.000 0.458 244 W N -0.369 120.931 121.300 -0.000 0.000 3.239 244 W HA 0.597 5.258 4.660 0.002 0.000 0.368 244 W C 0.830 177.351 176.519 0.003 0.000 1.154 244 W CA -1.084 56.262 57.345 0.002 0.000 1.860 244 W CB -1.308 28.155 29.460 0.005 0.000 1.094 244 W HN 0.342 nan 8.180 nan 0.000 0.643 245 A N 0.869 123.800 122.820 0.186 0.000 2.531 245 A HA 0.415 4.737 4.320 0.003 0.000 0.236 245 A C 1.688 179.327 177.584 0.091 0.000 1.062 245 A CA 0.735 52.838 52.037 0.109 0.000 0.760 245 A CB 0.561 19.599 19.000 0.062 0.000 0.995 245 A HN 0.255 nan 8.150 nan 0.000 0.501 246 A N 2.518 125.379 122.820 0.069 0.000 1.933 246 A HA 0.122 4.444 4.320 0.003 0.000 0.218 246 A C 2.374 179.981 177.584 0.038 0.000 1.175 246 A CA 2.240 54.307 52.037 0.050 0.000 0.628 246 A CB -0.975 18.048 19.000 0.039 0.000 0.814 246 A HN 1.772 nan 8.150 nan 0.000 0.444 247 A N -0.161 122.680 122.820 0.034 0.000 1.948 247 A HA -0.116 4.206 4.320 0.003 0.000 0.220 247 A C 2.147 179.745 177.584 0.023 0.000 1.177 247 A CA 1.610 53.661 52.037 0.024 0.000 0.636 247 A CB -0.580 18.433 19.000 0.021 0.000 0.815 247 A HN 0.501 nan 8.150 nan 0.000 0.449 248 L N -0.696 120.548 121.223 0.034 0.000 2.093 248 L HA -0.141 4.200 4.340 0.003 0.000 0.208 248 L C 2.850 179.737 176.870 0.028 0.000 1.085 248 L CA 1.340 56.200 54.840 0.032 0.000 0.755 248 L CB -0.451 41.637 42.059 0.048 0.000 0.904 248 L HN 0.336 nan 8.230 nan 0.000 0.435 249 S N -0.178 115.543 115.700 0.035 0.000 2.359 249 S HA -0.192 4.280 4.470 0.003 0.000 0.224 249 S C 1.504 176.110 174.600 0.010 0.000 1.035 249 S CA 1.464 59.681 58.200 0.029 0.000 1.018 249 S CB -0.308 62.912 63.200 0.034 0.000 0.876 249 S HN 0.452 nan 8.310 nan 0.000 0.448 250 D N 1.392 121.797 120.400 0.007 0.000 2.178 250 D HA -0.033 4.609 4.640 0.003 0.000 0.201 250 D C 1.727 178.016 176.300 -0.017 0.000 0.980 250 D CA 0.687 54.684 54.000 -0.005 0.000 0.842 250 D CB -0.292 40.508 40.800 -0.000 0.000 0.948 250 D HN 0.337 nan 8.370 nan 0.000 0.472 251 L N -0.574 120.642 121.223 -0.012 0.000 2.291 251 L HA 0.019 4.361 4.340 0.003 0.000 0.214 251 L C 1.565 178.413 176.870 -0.037 0.000 1.120 251 L CA 0.527 55.356 54.840 -0.019 0.000 0.799 251 L CB 0.155 42.209 42.059 -0.008 0.000 0.925 251 L HN -0.165 nan 8.230 nan 0.000 0.446 252 R N 0.715 121.190 120.500 -0.040 0.000 2.644 252 R HA 0.187 4.529 4.340 0.003 0.000 0.271 252 R C -2.208 174.024 176.300 -0.113 0.000 1.687 252 R CA -1.356 54.697 56.100 -0.078 0.000 1.655 252 R CB 0.862 31.159 30.300 -0.005 0.000 1.285 252 R HN -0.143 nan 8.270 nan 0.000 0.643 253 P HA -0.090 nan 4.420 nan 0.000 0.297 253 P C -0.686 176.539 177.300 -0.125 0.000 1.544 253 P CA 0.293 63.326 63.100 -0.111 0.000 0.798 253 P CB -0.375 31.270 31.700 -0.090 0.000 1.757 254 H N 0.868 119.939 119.070 0.002 0.000 2.767 254 H HA 0.096 4.654 4.556 0.003 0.000 0.316 254 H C -1.303 174.037 175.328 0.020 0.000 1.059 254 H CA -1.549 54.503 56.048 0.006 0.000 1.461 254 H CB 0.576 30.336 29.762 -0.003 0.000 1.475 254 H HN 0.088 nan 8.280 nan 0.000 0.531 255 P HA -0.169 nan 4.420 nan 0.000 0.216 255 P C 1.651 179.024 177.300 0.122 0.000 1.157 255 P CA 1.730 64.891 63.100 0.102 0.000 0.880 255 P CB 0.106 31.860 31.700 0.090 0.000 0.791 256 G N -0.531 108.360 108.800 0.151 0.000 2.422 256 G HA2 -0.299 3.662 3.960 0.003 0.000 0.218 256 G HA3 -0.299 3.662 3.960 0.003 0.000 0.218 256 G C 1.677 176.678 174.900 0.168 0.000 1.146 256 G CA 0.714 45.935 45.100 0.202 0.000 0.769 256 G HN 0.328 nan 8.290 nan 0.000 0.547 257 Q N 0.093 119.957 119.800 0.107 0.000 2.049 257 Q HA -0.056 4.286 4.340 0.003 0.000 0.198 257 Q C 2.469 178.504 176.000 0.057 0.000 0.971 257 Q CA 1.510 57.346 55.803 0.056 0.000 0.833 257 Q CB -0.196 28.590 28.738 0.079 0.000 0.896 257 Q HN 0.505 nan 8.270 nan 0.000 0.434 258 K N 0.218 120.661 120.400 0.072 0.000 2.032 258 K HA -0.237 4.084 4.320 0.003 0.000 0.209 258 K C 1.693 178.323 176.600 0.049 0.000 1.048 258 K CA 1.914 58.232 56.287 0.051 0.000 0.927 258 K CB -0.206 32.321 32.500 0.045 0.000 0.712 258 K HN 0.197 nan 8.250 nan 0.000 0.441 259 D N -0.086 120.359 120.400 0.074 0.000 2.097 259 D HA -0.134 4.507 4.640 0.003 0.000 0.195 259 D C 1.712 178.066 176.300 0.089 0.000 0.989 259 D CA 1.645 55.688 54.000 0.071 0.000 0.827 259 D CB -0.096 40.754 40.800 0.083 0.000 0.966 259 D HN 0.340 nan 8.370 nan 0.000 0.456 260 A N 0.586 123.498 122.820 0.153 0.000 1.877 260 A HA 0.004 4.326 4.320 0.003 0.000 0.216 260 A C 2.425 179.965 177.584 -0.072 0.000 1.186 260 A CA 2.499 54.601 52.037 0.109 0.000 0.620 260 A CB -1.263 17.732 19.000 -0.008 0.000 0.822 260 A HN 0.335 nan 8.150 nan 0.000 0.443 261 A N -0.194 122.580 122.820 -0.077 0.000 1.908 261 A HA 0.109 4.431 4.320 0.003 0.000 0.218 261 A C 2.523 180.079 177.584 -0.047 0.000 1.181 261 A CA 2.344 54.321 52.037 -0.100 0.000 0.627 261 A CB -1.078 17.922 19.000 0.001 0.000 0.818 261 A HN 1.119 nan 8.150 nan 0.000 0.445 262 A N -0.286 122.528 122.820 -0.009 0.000 1.902 262 A HA -0.163 4.159 4.320 0.003 0.000 0.217 262 A C 2.234 179.808 177.584 -0.016 0.000 1.181 262 A CA 1.630 53.669 52.037 0.004 0.000 0.623 262 A CB -0.439 18.566 19.000 0.008 0.000 0.818 262 A HN 0.552 nan 8.150 nan 0.000 0.443 263 R N -0.636 119.842 120.500 -0.036 0.000 2.115 263 R HA 0.044 4.386 4.340 0.003 0.000 0.230 263 R C 2.005 178.254 176.300 -0.086 0.000 1.111 263 R CA 1.161 57.229 56.100 -0.052 0.000 0.976 263 R CB -0.424 29.851 30.300 -0.042 0.000 0.870 263 R HN 0.500 nan 8.270 nan 0.000 0.445 264 L N 0.167 121.288 121.223 -0.171 0.000 2.027 264 L HA -0.156 4.185 4.340 0.003 0.000 0.206 264 L C 2.526 179.380 176.870 -0.026 0.000 1.074 264 L CA 1.424 56.080 54.840 -0.307 0.000 0.745 264 L CB -0.320 41.193 42.059 -0.910 0.000 0.898 264 L HN 0.139 nan 8.230 nan 0.000 0.433 265 R N -0.143 120.400 120.500 0.072 0.000 2.091 265 R HA -0.161 4.181 4.340 0.003 0.000 0.238 265 R C 2.379 178.735 176.300 0.094 0.000 1.136 265 R CA 1.374 57.575 56.100 0.167 0.000 0.959 265 R CB -0.551 29.829 30.300 0.134 0.000 0.856 265 R HN 0.367 nan 8.270 nan 0.000 0.437 266 A N 1.323 124.167 122.820 0.039 0.000 1.902 266 A HA -0.145 4.177 4.320 0.003 0.000 0.217 266 A C 2.057 179.652 177.584 0.018 0.000 1.181 266 A CA 1.070 53.118 52.037 0.019 0.000 0.623 266 A CB -0.264 18.732 19.000 -0.006 0.000 0.818 266 A HN 0.098 nan 8.150 nan 0.000 0.443 267 R N -0.188 120.320 120.500 0.012 0.000 2.091 267 R HA -0.122 4.220 4.340 0.003 0.000 0.238 267 R C 1.926 178.257 176.300 0.052 0.000 1.136 267 R CA 1.782 57.890 56.100 0.012 0.000 0.959 267 R CB -1.372 28.925 30.300 -0.005 0.000 0.856 267 R HN 0.674 nan 8.270 nan 0.000 0.437 268 V N -0.723 119.253 119.914 0.103 0.000 3.633 268 V HA 0.109 4.230 4.120 0.003 0.000 0.283 268 V C 0.180 176.316 176.094 0.069 0.000 1.305 268 V CA -0.573 61.793 62.300 0.109 0.000 1.153 268 V CB -0.589 31.344 31.823 0.182 0.000 0.950 268 V HN -0.071 nan 8.190 nan 0.000 0.432 269 D N 1.379 121.810 120.400 0.053 0.000 2.458 269 D HA 0.418 5.060 4.640 0.003 0.000 0.243 269 D C 1.452 177.765 176.300 0.021 0.000 1.146 269 D CA 1.878 55.898 54.000 0.033 0.000 0.877 269 D CB 0.586 41.401 40.800 0.025 0.000 1.176 269 D HN 0.555 nan 8.370 nan 0.000 0.461 270 G N 2.382 111.190 108.800 0.013 0.000 2.176 270 G HA2 -0.266 3.696 3.960 0.003 0.000 0.253 270 G HA3 -0.266 3.696 3.960 0.003 0.000 0.253 270 G C 0.457 175.361 174.900 0.007 0.000 0.979 270 G CA 0.336 45.441 45.100 0.008 0.000 0.641 270 G HN 0.789 nan 8.290 nan 0.000 0.530 271 S N 0.162 115.868 115.700 0.010 0.000 2.548 271 S HA 0.667 5.139 4.470 0.003 0.000 0.277 271 S C 1.237 175.832 174.600 -0.008 0.000 1.315 271 S CA 0.802 59.007 58.200 0.007 0.000 1.050 271 S CB 1.313 64.525 63.200 0.019 0.000 0.918 271 S HN 1.591 nan 8.310 nan 0.000 0.497 272 A N 5.288 128.103 122.820 -0.007 0.000 2.431 272 A HA 0.330 4.652 4.320 0.003 0.000 0.239 272 A C 1.710 179.285 177.584 -0.016 0.000 1.230 272 A CA -0.326 51.702 52.037 -0.016 0.000 0.928 272 A CB 0.086 19.081 19.000 -0.008 0.000 1.006 272 A HN 0.727 nan 8.150 nan 0.000 0.520 273 R N -0.094 120.398 120.500 -0.012 0.000 2.290 273 R HA 0.111 4.452 4.340 0.003 0.000 0.197 273 R C 0.698 176.983 176.300 -0.025 0.000 0.913 273 R CA 0.817 56.911 56.100 -0.011 0.000 1.040 273 R CB -0.320 29.980 30.300 0.001 0.000 0.992 273 R HN 0.495 nan 8.270 nan 0.000 0.500 274 V N -1.575 118.315 119.914 -0.041 0.000 2.973 274 V HA 0.474 4.596 4.120 0.003 0.000 0.314 274 V C 0.435 176.471 176.094 -0.097 0.000 1.066 274 V CA -0.940 61.314 62.300 -0.076 0.000 1.021 274 V CB 2.063 33.832 31.823 -0.091 0.000 1.076 274 V HN -0.262 nan 8.190 nan 0.000 0.462 275 V N 3.821 123.664 119.914 -0.119 0.000 2.364 275 V HA 0.457 4.579 4.120 0.003 0.000 0.272 275 V C 1.024 177.018 176.094 -0.167 0.000 1.036 275 V CA -0.260 61.971 62.300 -0.115 0.000 0.880 275 V CB 0.661 32.452 31.823 -0.053 0.000 0.991 275 V HN 0.936 nan 8.190 nan 0.000 0.460 276 R N 1.542 121.888 120.500 -0.256 0.000 2.334 276 R HA 0.200 4.542 4.340 0.003 0.000 0.212 276 R C 0.050 176.231 176.300 -0.197 0.000 0.897 276 R CA -0.160 55.802 56.100 -0.229 0.000 1.056 276 R CB 0.196 30.362 30.300 -0.222 0.000 1.046 276 R HN 0.748 nan 8.270 nan 0.000 0.513 277 H N 0.096 119.141 119.070 -0.042 0.000 2.897 277 H HA 0.052 4.609 4.556 0.003 0.000 0.347 277 H C -0.210 175.097 175.328 -0.036 0.000 1.068 277 H CA -0.195 55.833 56.048 -0.033 0.000 1.426 277 H CB 0.946 30.691 29.762 -0.029 0.000 1.410 277 H HN -0.192 nan 8.280 nan 0.000 0.597 278 V N 5.765 125.740 119.914 0.102 0.000 2.385 278 V HA -0.034 4.088 4.120 0.003 0.000 0.269 278 V C 1.726 177.844 176.094 0.041 0.000 1.043 278 V CA -0.016 62.310 62.300 0.043 0.000 0.906 278 V CB 0.144 31.984 31.823 0.029 0.000 0.995 278 V HN 0.772 nan 8.190 nan 0.000 0.467 279 I N 3.311 123.895 120.570 0.023 0.000 2.335 279 I HA -0.140 4.032 4.170 0.003 0.000 0.251 279 I C 2.094 178.212 176.117 0.002 0.000 1.129 279 I CA 1.998 63.303 61.300 0.009 0.000 1.402 279 I CB -0.244 37.758 38.000 0.002 0.000 1.069 279 I HN 0.557 nan 8.210 nan 0.000 0.424 280 A N 1.028 123.850 122.820 0.004 0.000 2.225 280 A HA -0.104 4.218 4.320 0.003 0.000 0.215 280 A C 2.122 179.706 177.584 0.001 0.000 1.164 280 A CA 1.169 53.207 52.037 0.002 0.000 0.710 280 A CB -0.556 18.447 19.000 0.004 0.000 0.780 280 A HN 0.569 nan 8.150 nan 0.000 0.473 281 E N -0.037 120.164 120.200 0.003 0.000 2.208 281 E HA -0.099 4.252 4.350 0.003 0.000 0.193 281 E C 1.121 177.714 176.600 -0.011 0.000 0.988 281 E CA 0.151 56.551 56.400 0.000 0.000 0.828 281 E CB -0.186 29.520 29.700 0.010 0.000 0.763 281 E HN 0.627 nan 8.360 nan 0.000 0.478 282 R N 1.808 122.297 120.500 -0.018 0.000 2.401 282 R HA 0.090 4.432 4.340 0.003 0.000 0.299 282 R C -0.436 175.853 176.300 -0.019 0.000 1.064 282 R CA -0.020 56.063 56.100 -0.028 0.000 1.000 282 R CB 0.386 30.664 30.300 -0.036 0.000 0.973 282 R HN -0.138 nan 8.270 nan 0.000 0.438 283 R N 4.799 125.287 120.500 -0.019 0.000 2.265 283 R HA 0.298 4.640 4.340 0.003 0.000 0.319 283 R C -0.444 175.846 176.300 -0.016 0.000 1.006 283 R CA -0.536 55.556 56.100 -0.015 0.000 0.880 283 R CB 1.187 31.480 30.300 -0.013 0.000 1.077 283 R HN 0.461 nan 8.270 nan 0.000 0.454 284 L N 2.446 123.662 121.223 -0.013 0.000 2.375 284 L HA 0.346 4.688 4.340 0.003 0.000 0.271 284 L C 0.127 176.990 176.870 -0.011 0.000 1.107 284 L CA -0.443 54.389 54.840 -0.013 0.000 0.806 284 L CB 0.890 42.942 42.059 -0.011 0.000 1.146 284 L HN 0.483 nan 8.230 nan 0.000 0.447 285 D N 0.339 120.732 120.400 -0.011 0.000 2.374 285 D HA 0.310 4.952 4.640 0.003 0.000 0.239 285 D C 0.569 176.864 176.300 -0.009 0.000 0.991 285 D CA -0.411 53.583 54.000 -0.010 0.000 0.960 285 D CB 2.148 42.942 40.800 -0.011 0.000 1.284 285 D HN 0.562 nan 8.370 nan 0.000 0.512 286 A N 1.044 123.859 122.820 -0.007 0.000 1.948 286 A HA -0.117 4.204 4.320 0.003 0.000 0.220 286 A C 1.934 179.513 177.584 -0.007 0.000 1.177 286 A CA 2.209 54.242 52.037 -0.006 0.000 0.636 286 A CB -0.960 18.037 19.000 -0.006 0.000 0.815 286 A HN 0.647 nan 8.150 nan 0.000 0.449 287 G N -0.596 108.200 108.800 -0.008 0.000 2.471 287 G HA2 -0.161 3.801 3.960 0.003 0.000 0.219 287 G HA3 -0.161 3.801 3.960 0.003 0.000 0.219 287 G C 0.966 175.860 174.900 -0.009 0.000 1.125 287 G CA 1.054 46.150 45.100 -0.008 0.000 0.775 287 G HN 0.528 nan 8.290 nan 0.000 0.548 288 D N 0.456 120.850 120.400 -0.010 0.000 2.277 288 D HA -0.008 4.634 4.640 0.003 0.000 0.208 288 D C 1.083 177.377 176.300 -0.010 0.000 0.962 288 D CA 0.019 54.013 54.000 -0.011 0.000 0.865 288 D CB 0.278 41.070 40.800 -0.013 0.000 0.939 288 D HN 0.137 nan 8.370 nan 0.000 0.510 289 I N 1.553 122.118 120.570 -0.008 0.000 2.752 289 I HA 0.229 4.400 4.170 0.003 0.000 0.286 289 I C 1.416 177.529 176.117 -0.007 0.000 1.180 289 I CA 0.918 62.214 61.300 -0.007 0.000 1.404 289 I CB -0.319 37.677 38.000 -0.006 0.000 1.389 289 I HN 0.018 nan 8.210 nan 0.000 0.549 290 G N 5.608 114.405 108.800 -0.007 0.000 2.368 290 G HA2 0.120 4.081 3.960 0.003 0.000 0.269 290 G HA3 0.120 4.081 3.960 0.003 0.000 0.269 290 G C -1.080 173.816 174.900 -0.007 0.000 1.291 290 G CA -0.710 44.386 45.100 -0.006 0.000 0.903 290 G HN 0.386 nan 8.290 nan 0.000 0.483 291 T N 2.039 116.589 114.554 -0.007 0.000 2.733 291 T HA 0.553 4.904 4.350 0.003 0.000 0.294 291 T C -0.085 174.610 174.700 -0.008 0.000 0.956 291 T CA -0.185 61.911 62.100 -0.007 0.000 0.987 291 T CB 1.262 70.126 68.868 -0.007 0.000 0.920 291 T HN 0.442 nan 8.240 nan 0.000 0.470 292 E N 3.202 123.397 120.200 -0.009 0.000 2.283 292 E HA 0.198 4.550 4.350 0.003 0.000 0.267 292 E C -1.279 175.315 176.600 -0.009 0.000 1.045 292 E CA -2.021 54.373 56.400 -0.010 0.000 0.884 292 E CB 0.682 30.375 29.700 -0.011 0.000 1.106 292 E HN 0.326 nan 8.360 nan 0.000 0.408 293 P HA -0.153 nan 4.420 nan 0.000 0.216 293 P C -0.534 176.760 177.300 -0.010 0.000 1.153 293 P CA 1.458 64.552 63.100 -0.009 0.000 0.858 293 P CB 0.296 31.991 31.700 -0.009 0.000 0.789 294 E N -1.537 118.657 120.200 -0.010 0.000 2.369 294 E HA 0.611 4.962 4.350 0.003 0.000 0.270 294 E C -0.954 175.641 176.600 -0.009 0.000 0.909 294 E CA -1.185 55.209 56.400 -0.010 0.000 0.775 294 E CB 2.030 31.723 29.700 -0.010 0.000 1.270 294 E HN -0.098 nan 8.360 nan 0.000 0.445 295 A N 0.502 123.317 122.820 -0.008 0.000 2.332 295 A HA 0.457 4.778 4.320 0.003 0.000 0.258 295 A C 1.150 178.732 177.584 -0.004 0.000 1.087 295 A CA 0.264 52.298 52.037 -0.005 0.000 0.802 295 A CB 0.206 19.205 19.000 -0.002 0.000 1.042 295 A HN 0.782 nan 8.150 nan 0.000 0.489 296 G N -0.565 108.234 108.800 -0.002 0.000 2.679 296 G HA2 0.240 4.202 3.960 0.003 0.000 0.212 296 G HA3 0.240 4.202 3.960 0.003 0.000 0.212 296 G C 0.484 175.382 174.900 -0.003 0.000 1.137 296 G CA 0.428 45.526 45.100 -0.003 0.000 0.787 296 G HN 0.723 nan 8.290 nan 0.000 0.534 297 Q N 0.072 119.875 119.800 0.005 0.000 2.423 297 Q HA 0.329 4.671 4.340 0.003 0.000 0.278 297 Q C -1.415 174.596 176.000 0.018 0.000 1.097 297 Q CA -1.039 54.770 55.803 0.011 0.000 0.809 297 Q CB 2.041 30.802 28.738 0.038 0.000 1.391 297 Q HN 0.025 nan 8.270 nan 0.000 0.428 298 D N 0.597 121.007 120.400 0.017 0.000 2.383 298 D HA 0.390 5.032 4.640 0.003 0.000 0.248 298 D C -0.245 176.111 176.300 0.092 0.000 1.170 298 D CA -0.156 53.862 54.000 0.030 0.000 0.977 298 D CB 0.804 41.608 40.800 0.006 0.000 1.120 298 D HN 0.616 nan 8.370 nan 0.000 0.481 299 A N 0.230 123.096 122.820 0.076 0.000 2.346 299 A HA 0.053 4.374 4.320 0.003 0.000 0.252 299 A C 0.591 178.320 177.584 0.242 0.000 1.089 299 A CA -0.175 51.912 52.037 0.084 0.000 0.797 299 A CB -0.068 18.939 19.000 0.012 0.000 1.047 299 A HN 0.528 nan 8.150 nan 0.000 0.494 300 Y N 1.025 121.342 120.300 0.027 0.000 2.241 300 Y HA -0.210 4.343 4.550 0.005 0.000 0.286 300 Y C 2.899 178.832 175.900 0.055 0.000 1.166 300 Y CA 1.616 59.739 58.100 0.038 0.000 1.203 300 Y CB -1.324 37.150 38.460 0.023 0.000 0.977 300 Y HN 0.749 nan 8.280 nan 0.000 0.529 301 S N -1.146 114.679 115.700 0.209 0.000 2.500 301 S HA -0.096 4.376 4.470 0.003 0.000 0.239 301 S C 1.753 176.456 174.600 0.172 0.000 0.989 301 S CA 1.082 59.372 58.200 0.149 0.000 0.951 301 S CB -0.522 62.740 63.200 0.104 0.000 0.759 301 S HN 0.471 nan 8.310 nan 0.000 0.523 302 L N -0.444 120.901 121.223 0.203 0.000 2.588 302 L HA 0.368 4.710 4.340 0.003 0.000 0.194 302 L C 2.685 179.764 176.870 0.348 0.000 1.070 302 L CA 0.195 55.203 54.840 0.281 0.000 0.852 302 L CB -0.211 41.950 42.059 0.171 0.000 1.199 302 L HN 0.163 nan 8.230 nan 0.000 0.486 303 R N 0.043 120.671 120.500 0.212 0.000 2.105 303 R HA -0.152 4.189 4.340 0.003 0.000 0.239 303 R C 1.474 177.872 176.300 0.164 0.000 1.135 303 R CA 1.923 58.121 56.100 0.164 0.000 0.967 303 R CB -0.230 30.138 30.300 0.113 0.000 0.861 303 R HN 0.400 nan 8.270 nan 0.000 0.442 304 C N 0.232 119.590 119.300 0.097 0.000 2.688 304 C HA 0.459 4.921 4.460 0.003 0.000 0.297 304 C C 2.064 177.066 174.990 0.020 0.000 1.308 304 C CA -0.442 58.572 59.018 -0.007 0.000 1.726 304 C CB -0.423 27.215 27.740 -0.171 0.000 1.982 304 C HN 0.629 nan 8.230 nan 0.000 0.604 305 A N 2.691 125.569 122.820 0.096 0.000 1.908 305 A HA -0.104 4.217 4.320 0.003 0.000 0.218 305 A C 0.016 177.516 177.584 -0.141 0.000 1.181 305 A CA 1.822 53.849 52.037 -0.017 0.000 0.627 305 A CB -1.552 17.442 19.000 -0.010 0.000 0.818 305 A HN 0.416 nan 8.150 nan 0.000 0.445 306 P HA -0.156 nan 4.420 nan 0.000 0.215 306 P C 1.278 178.499 177.300 -0.131 0.000 1.153 306 P CA 1.523 64.526 63.100 -0.162 0.000 0.853 306 P CB -0.054 31.597 31.700 -0.083 0.000 0.788 307 Q N -0.967 118.779 119.800 -0.091 0.000 2.079 307 Q HA -0.080 4.262 4.340 0.003 0.000 0.200 307 Q C 2.134 178.048 176.000 -0.144 0.000 0.974 307 Q CA 1.255 57.000 55.803 -0.096 0.000 0.840 307 Q CB -1.383 27.307 28.738 -0.080 0.000 0.898 307 Q HN 0.097 nan 8.270 nan 0.000 0.430 308 V N 0.255 120.081 119.914 -0.146 0.000 2.283 308 V HA -0.194 3.928 4.120 0.003 0.000 0.243 308 V C 2.098 178.037 176.094 -0.259 0.000 1.039 308 V CA 1.406 63.608 62.300 -0.163 0.000 1.016 308 V CB -0.594 31.162 31.823 -0.112 0.000 0.650 308 V HN 0.295 nan 8.190 nan 0.000 0.449 309 L N 0.593 121.615 121.223 -0.336 0.000 2.042 309 L HA -0.110 4.231 4.340 0.003 0.000 0.210 309 L C 2.675 179.018 176.870 -0.877 0.000 1.076 309 L CA 1.839 56.290 54.840 -0.649 0.000 0.749 309 L CB -1.227 40.437 42.059 -0.657 0.000 0.893 309 L HN 0.486 nan 8.230 nan 0.000 0.432 310 G N -0.414 108.092 108.800 -0.490 0.000 2.440 310 G HA2 -0.269 3.693 3.960 0.003 0.000 0.218 310 G HA3 -0.269 3.693 3.960 0.003 0.000 0.218 310 G C 1.762 176.563 174.900 -0.166 0.000 1.154 310 G CA 0.863 45.811 45.100 -0.252 0.000 0.767 310 G HN 0.481 nan 8.290 nan 0.000 0.552 311 A N 0.788 123.485 122.820 -0.204 0.000 1.933 311 A HA 0.183 4.504 4.320 0.003 0.000 0.218 311 A C 2.700 180.220 177.584 -0.106 0.000 1.175 311 A CA 2.030 53.967 52.037 -0.167 0.000 0.628 311 A CB -0.976 17.915 19.000 -0.181 0.000 0.814 311 A HN 0.520 nan 8.150 nan 0.000 0.444 312 G N -1.170 107.532 108.800 -0.163 0.000 2.408 312 G HA2 -0.112 3.850 3.960 0.003 0.000 0.217 312 G HA3 -0.112 3.850 3.960 0.003 0.000 0.217 312 G C 1.278 176.260 174.900 0.137 0.000 1.150 312 G CA 1.015 46.067 45.100 -0.081 0.000 0.776 312 G HN 0.378 nan 8.290 nan 0.000 0.542 313 F N 1.654 121.608 119.950 0.006 0.000 2.186 313 F HA 0.053 4.582 4.527 0.004 0.000 0.299 313 F C 2.275 178.100 175.800 0.041 0.000 1.090 313 F CA 0.330 58.346 58.000 0.027 0.000 1.307 313 F CB -0.579 38.430 39.000 0.015 0.000 1.019 313 F HN 0.113 nan 8.300 nan 0.000 0.489 314 D N -0.591 119.936 120.400 0.211 0.000 2.178 314 D HA -0.098 4.544 4.640 0.003 0.000 0.202 314 D C 2.205 178.614 176.300 0.181 0.000 0.974 314 D CA 1.373 55.465 54.000 0.153 0.000 0.841 314 D CB -0.359 40.481 40.800 0.067 0.000 0.953 314 D HN 0.193 nan 8.370 nan 0.000 0.478 315 T N 1.181 115.834 114.554 0.164 0.000 2.777 315 T HA -0.116 4.236 4.350 0.003 0.000 0.266 315 T C 1.900 176.765 174.700 0.275 0.000 1.040 315 T CA 0.397 62.632 62.100 0.225 0.000 1.141 315 T CB -0.215 68.737 68.868 0.140 0.000 0.868 315 T HN 0.043 nan 8.240 nan 0.000 0.444 316 L N 1.469 122.814 121.223 0.203 0.000 2.131 316 L HA 0.132 4.473 4.340 0.003 0.000 0.210 316 L C 2.529 179.516 176.870 0.194 0.000 1.092 316 L CA 1.602 56.538 54.840 0.160 0.000 0.759 316 L CB -0.964 41.174 42.059 0.131 0.000 0.903 316 L HN 0.212 nan 8.230 nan 0.000 0.435 317 A N -1.211 121.727 122.820 0.197 0.000 1.902 317 A HA -0.262 4.060 4.320 0.003 0.000 0.217 317 A C 2.112 179.835 177.584 0.231 0.000 1.181 317 A CA 1.620 53.762 52.037 0.175 0.000 0.623 317 A CB -1.386 17.709 19.000 0.157 0.000 0.818 317 A HN 0.727 nan 8.150 nan 0.000 0.443 318 W N 0.430 121.789 121.300 0.098 0.000 2.355 318 W HA -0.185 4.477 4.660 0.002 0.000 0.309 318 W C 2.259 178.845 176.519 0.111 0.000 1.206 318 W CA 1.908 59.306 57.345 0.089 0.000 1.284 318 W CB -0.741 28.765 29.460 0.076 0.000 1.145 318 W HN 0.629 nan 8.180 nan 0.000 0.502 319 H N 0.117 119.120 119.070 -0.112 0.000 2.319 319 H HA -0.166 4.392 4.556 0.003 0.000 0.299 319 H C 1.362 176.573 175.328 -0.195 0.000 1.092 319 H CA 2.378 58.255 56.048 -0.285 0.000 1.302 319 H CB -0.533 29.176 29.762 -0.088 0.000 1.373 319 H HN 0.056 nan 8.280 nan 0.000 0.497 320 D N 0.236 120.685 120.400 0.081 0.000 2.178 320 D HA -0.072 4.569 4.640 0.003 0.000 0.202 320 D C 2.600 178.867 176.300 -0.055 0.000 0.974 320 D CA 0.593 54.610 54.000 0.029 0.000 0.841 320 D CB -0.183 40.678 40.800 0.101 0.000 0.953 320 D HN 0.394 nan 8.370 nan 0.000 0.478 321 R N 0.262 120.738 120.500 -0.041 0.000 2.066 321 R HA -0.050 4.292 4.340 0.003 0.000 0.232 321 R C 2.342 178.583 176.300 -0.098 0.000 1.131 321 R CA 0.752 56.839 56.100 -0.022 0.000 0.955 321 R CB -0.501 29.834 30.300 0.058 0.000 0.851 321 R HN 0.094 nan 8.270 nan 0.000 0.432 322 V N 1.503 121.277 119.914 -0.233 0.000 2.343 322 V HA -0.222 3.899 4.120 0.003 0.000 0.247 322 V C 2.230 178.178 176.094 -0.243 0.000 1.051 322 V CA 1.438 63.581 62.300 -0.260 0.000 1.036 322 V CB -0.439 31.111 31.823 -0.456 0.000 0.654 322 V HN 0.232 nan 8.190 nan 0.000 0.451 323 L N -0.007 121.029 121.223 -0.312 0.000 2.083 323 L HA -0.131 4.211 4.340 0.003 0.000 0.209 323 L C 2.431 179.212 176.870 -0.149 0.000 1.083 323 L CA 2.328 57.010 54.840 -0.263 0.000 0.752 323 L CB -0.991 40.860 42.059 -0.348 0.000 0.899 323 L HN 0.336 nan 8.230 nan 0.000 0.433 324 T N -0.115 114.376 114.554 -0.103 0.000 2.746 324 T HA -0.160 4.191 4.350 0.003 0.000 0.267 324 T C 1.971 176.648 174.700 -0.038 0.000 1.039 324 T CA 1.992 64.063 62.100 -0.049 0.000 1.142 324 T CB -0.286 68.596 68.868 0.024 0.000 0.866 324 T HN 0.323 nan 8.240 nan 0.000 0.444 325 I N 0.641 121.181 120.570 -0.051 0.000 2.202 325 I HA -0.142 4.030 4.170 0.003 0.000 0.242 325 I C 2.730 178.792 176.117 -0.091 0.000 1.091 325 I CA 1.285 62.551 61.300 -0.056 0.000 1.368 325 I CB -0.309 37.638 38.000 -0.090 0.000 1.058 325 I HN 0.211 nan 8.210 nan 0.000 0.410 326 E N 1.344 121.469 120.200 -0.126 0.000 2.051 326 E HA -0.264 4.088 4.350 0.003 0.000 0.192 326 E C 2.045 178.591 176.600 -0.090 0.000 0.991 326 E CA 1.343 57.670 56.400 -0.121 0.000 0.799 326 E CB -0.304 29.320 29.700 -0.125 0.000 0.748 326 E HN 0.295 nan 8.360 nan 0.000 0.449 327 L N 1.041 122.209 121.223 -0.092 0.000 2.042 327 L HA -0.128 4.214 4.340 0.003 0.000 0.210 327 L C 1.228 178.046 176.870 -0.086 0.000 1.076 327 L CA 1.874 56.662 54.840 -0.087 0.000 0.749 327 L CB -0.458 41.541 42.059 -0.100 0.000 0.893 327 L HN 0.167 nan 8.230 nan 0.000 0.432 328 N N -0.169 118.480 118.700 -0.085 0.000 2.322 328 N HA 0.190 4.931 4.740 0.003 0.000 0.194 328 N C 0.342 175.833 175.510 -0.031 0.000 1.126 328 N CA 0.624 53.637 53.050 -0.061 0.000 0.845 328 N CB 0.219 38.686 38.487 -0.033 0.000 0.976 328 N HN 0.424 nan 8.380 nan 0.000 0.475 329 A N 0.277 123.069 122.820 -0.047 0.000 2.248 329 A HA 0.581 4.903 4.320 0.003 0.000 0.316 329 A C 0.012 177.572 177.584 -0.040 0.000 1.101 329 A CA -0.387 51.622 52.037 -0.047 0.000 0.875 329 A CB 0.997 19.953 19.000 -0.074 0.000 1.207 329 A HN -0.038 nan 8.150 nan 0.000 0.504 330 V N 1.196 121.086 119.914 -0.040 0.000 2.311 330 V HA 0.293 4.415 4.120 0.003 0.000 0.275 330 V C 0.857 176.928 176.094 -0.038 0.000 1.022 330 V CA 0.365 62.647 62.300 -0.030 0.000 0.830 330 V CB 0.676 32.483 31.823 -0.027 0.000 1.012 330 V HN 1.031 nan 8.190 nan 0.000 0.452 331 T N -0.625 113.916 114.554 -0.022 0.000 3.163 331 T HA 0.182 4.534 4.350 0.003 0.000 0.252 331 T C 0.189 174.911 174.700 0.036 0.000 1.056 331 T CA -0.519 61.575 62.100 -0.011 0.000 0.947 331 T CB -0.351 68.520 68.868 0.006 0.000 1.016 331 T HN 0.544 nan 8.240 nan 0.000 0.554 332 D N 2.597 123.007 120.400 0.017 0.000 2.357 332 D HA 0.476 5.118 4.640 0.003 0.000 0.242 332 D C -0.054 176.262 176.300 0.026 0.000 1.153 332 D CA 0.138 54.158 54.000 0.033 0.000 0.918 332 D CB 0.440 41.239 40.800 -0.002 0.000 1.181 332 D HN 0.312 nan 8.370 nan 0.000 0.435 333 N N 0.213 118.950 118.700 0.061 0.000 2.503 333 N HA 0.290 5.032 4.740 0.003 0.000 0.287 333 N C -2.927 172.583 175.510 0.001 0.000 1.096 333 N CA -1.374 51.685 53.050 0.017 0.000 0.936 333 N CB 1.884 40.518 38.487 0.245 0.000 1.570 333 N HN 0.021 nan 8.380 nan 0.000 0.504 334 P HA 0.279 nan 4.420 nan 0.000 0.279 334 P C -1.102 175.860 177.300 -0.565 0.000 1.282 334 P CA -0.470 62.345 63.100 -0.474 0.000 0.788 334 P CB 1.321 32.556 31.700 -0.775 0.000 1.139 335 V N -0.144 119.358 119.914 -0.687 0.000 2.962 335 V HA 0.546 4.668 4.120 0.003 0.000 0.313 335 V C -1.413 174.224 176.094 -0.762 0.000 1.099 335 V CA -0.868 61.065 62.300 -0.612 0.000 0.971 335 V CB 1.549 33.214 31.823 -0.263 0.000 1.028 335 V HN 0.254 nan 8.190 nan 0.000 0.430 336 F N 5.067 125.000 119.950 -0.028 0.000 2.325 336 F HA 0.530 5.059 4.527 0.003 0.000 0.369 336 F C -2.195 173.600 175.800 -0.010 0.000 1.095 336 F CA -2.685 55.306 58.000 -0.014 0.000 1.082 336 F CB 1.063 40.061 39.000 -0.003 0.000 1.289 336 F HN 0.286 nan 8.300 nan 0.000 0.462 337 P HA -0.014 nan 4.420 nan 0.000 0.256 337 P C -1.985 175.360 177.300 0.076 0.000 1.173 337 P CA -0.562 62.576 63.100 0.063 0.000 0.768 337 P CB 0.434 32.159 31.700 0.042 0.000 0.758 338 P HA -0.176 nan 4.420 nan 0.000 0.220 338 P C 0.807 178.128 177.300 0.035 0.000 1.148 338 P CA 1.327 64.455 63.100 0.047 0.000 0.803 338 P CB -0.094 31.626 31.700 0.034 0.000 0.782 339 D N -1.692 118.726 120.400 0.030 0.000 2.363 339 D HA 0.027 4.669 4.640 0.003 0.000 0.220 339 D C 1.437 177.754 176.300 0.028 0.000 0.994 339 D CA 0.879 54.893 54.000 0.024 0.000 0.890 339 D CB -1.225 39.586 40.800 0.018 0.000 0.906 339 D HN 0.172 nan 8.370 nan 0.000 0.530 340 G N 0.107 108.930 108.800 0.039 0.000 2.153 340 G HA2 -0.382 3.580 3.960 0.003 0.000 0.252 340 G HA3 -0.382 3.580 3.960 0.003 0.000 0.252 340 G C 1.248 176.171 174.900 0.039 0.000 0.994 340 G CA 1.106 46.232 45.100 0.043 0.000 0.698 340 G HN 0.625 nan 8.290 nan 0.000 0.521 341 S N -1.399 114.321 115.700 0.034 0.000 2.359 341 S HA 0.148 4.620 4.470 0.003 0.000 0.224 341 S C 1.247 175.868 174.600 0.036 0.000 1.035 341 S CA 1.978 60.195 58.200 0.029 0.000 1.018 341 S CB -0.484 62.729 63.200 0.022 0.000 0.876 341 S HN 2.032 nan 8.310 nan 0.000 0.448 342 V N -3.299 116.642 119.914 0.045 0.000 3.078 342 V HA 0.565 4.686 4.120 0.003 0.000 0.311 342 V C -2.494 173.649 176.094 0.083 0.000 1.138 342 V CA -2.212 60.122 62.300 0.056 0.000 1.007 342 V CB 1.288 33.140 31.823 0.049 0.000 1.045 342 V HN -0.104 nan 8.190 nan 0.000 0.432 343 P HA 0.185 nan 4.420 nan 0.000 0.215 343 P C 0.293 177.730 177.300 0.229 0.000 1.153 343 P CA 2.191 65.382 63.100 0.152 0.000 0.853 343 P CB 0.175 31.962 31.700 0.144 0.000 0.788 344 A N -2.014 120.897 122.820 0.151 0.000 2.608 344 A HA 0.638 4.960 4.320 0.003 0.000 0.292 344 A C -1.848 175.711 177.584 -0.041 0.000 1.066 344 A CA -0.559 51.490 52.037 0.022 0.000 0.676 344 A CB 0.473 19.474 19.000 0.002 0.000 1.277 344 A HN -0.053 nan 8.150 nan 0.000 0.413 345 L N 1.107 122.209 121.223 -0.202 0.000 2.346 345 L HA 0.613 4.955 4.340 0.003 0.000 0.274 345 L C -1.023 175.675 176.870 -0.287 0.000 1.007 345 L CA -0.664 54.098 54.840 -0.129 0.000 0.818 345 L CB 2.134 44.126 42.059 -0.111 0.000 1.284 345 L HN 0.832 nan 8.230 nan 0.000 0.424 346 H N 1.188 120.200 119.070 -0.096 0.000 2.589 346 H HA 0.732 5.290 4.556 0.003 0.000 0.335 346 H C 0.140 175.416 175.328 -0.086 0.000 1.019 346 H CA -0.168 55.824 56.048 -0.093 0.000 1.213 346 H CB 1.935 31.643 29.762 -0.091 0.000 1.472 346 H HN 0.745 nan 8.280 nan 0.000 0.508 347 G N 0.780 109.569 108.800 -0.018 0.000 2.793 347 G HA2 0.448 4.410 3.960 0.003 0.000 0.248 347 G HA3 0.448 4.410 3.960 0.003 0.000 0.248 347 G C -0.251 174.540 174.900 -0.182 0.000 1.198 347 G CA -0.297 44.756 45.100 -0.078 0.000 0.865 347 G HN 0.644 nan 8.290 nan 0.000 0.534 348 G N 0.058 108.620 108.800 -0.397 0.000 4.716 348 G HA2 0.292 4.254 3.960 0.003 0.000 0.282 348 G HA3 0.292 4.254 3.960 0.003 0.000 0.282 348 G C 0.216 174.512 174.900 -1.007 0.000 1.173 348 G CA -0.152 44.342 45.100 -1.011 0.000 0.913 348 G HN 0.257 nan 8.290 nan 0.000 0.566 349 N N 0.854 119.191 118.700 -0.605 0.000 2.609 349 N HA -0.035 4.707 4.740 0.003 0.000 0.190 349 N C 1.474 176.827 175.510 -0.262 0.000 1.157 349 N CA 0.300 53.145 53.050 -0.340 0.000 0.918 349 N CB -0.147 38.233 38.487 -0.179 0.000 0.978 349 N HN 0.636 nan 8.380 nan 0.000 0.448 350 F N -1.261 118.667 119.950 -0.037 0.000 2.789 350 F HA 0.332 4.861 4.527 0.003 0.000 0.300 350 F C 0.840 176.634 175.800 -0.010 0.000 1.132 350 F CA -0.779 57.205 58.000 -0.027 0.000 1.404 350 F CB -0.665 38.317 39.000 -0.031 0.000 1.114 350 F HN -0.164 nan 8.300 nan 0.000 0.584 351 M N 2.804 122.323 119.600 -0.134 0.000 2.350 351 M HA 0.343 4.824 4.480 0.003 0.000 0.338 351 M C 0.959 177.287 176.300 0.047 0.000 1.559 351 M CA -0.561 54.755 55.300 0.028 0.000 1.217 351 M CB 0.150 32.689 32.600 -0.102 0.000 1.808 351 M HN 0.236 nan 8.290 nan 0.000 0.458 352 G N 3.518 112.372 108.800 0.089 0.000 3.452 352 G HA2 0.031 3.992 3.960 0.003 0.000 0.258 352 G HA3 0.031 3.992 3.960 0.003 0.000 0.258 352 G C 0.680 175.613 174.900 0.055 0.000 1.305 352 G CA -0.190 44.951 45.100 0.068 0.000 1.514 352 G HN 0.818 nan 8.290 nan 0.000 0.593 353 Q N -0.028 119.801 119.800 0.048 0.000 2.167 353 Q HA -0.088 4.254 4.340 0.003 0.000 0.202 353 Q C 1.932 177.895 176.000 -0.062 0.000 0.970 353 Q CA 1.415 57.212 55.803 -0.009 0.000 0.855 353 Q CB -0.113 28.596 28.738 -0.047 0.000 0.911 353 Q HN 0.721 nan 8.270 nan 0.000 0.438 354 H N -1.729 117.316 119.070 -0.041 0.000 2.321 354 H HA -0.069 4.489 4.556 0.003 0.000 0.300 354 H C 1.796 177.045 175.328 -0.133 0.000 1.087 354 H CA 1.781 57.780 56.048 -0.082 0.000 1.319 354 H CB -0.029 29.672 29.762 -0.103 0.000 1.379 354 H HN 0.069 nan 8.280 nan 0.000 0.501 355 V N 0.479 120.397 119.914 0.007 0.000 2.548 355 V HA -0.205 3.917 4.120 0.003 0.000 0.249 355 V C 2.478 178.560 176.094 -0.020 0.000 1.055 355 V CA 1.346 63.614 62.300 -0.053 0.000 1.065 355 V CB -0.893 30.912 31.823 -0.030 0.000 0.681 355 V HN 0.565 nan 8.190 nan 0.000 0.462 356 A N 0.105 122.926 122.820 0.001 0.000 1.858 356 A HA -0.161 4.161 4.320 0.003 0.000 0.216 356 A C 2.199 179.796 177.584 0.022 0.000 1.190 356 A CA 1.828 53.876 52.037 0.019 0.000 0.617 356 A CB -0.532 18.480 19.000 0.021 0.000 0.827 356 A HN 0.483 nan 8.150 nan 0.000 0.443 357 L N -0.147 121.078 121.223 0.003 0.000 2.093 357 L HA -0.147 4.195 4.340 0.003 0.000 0.208 357 L C 2.989 179.905 176.870 0.076 0.000 1.085 357 L CA 1.796 56.669 54.840 0.054 0.000 0.755 357 L CB -0.933 41.171 42.059 0.075 0.000 0.904 357 L HN 0.668 nan 8.230 nan 0.000 0.435 358 T N -4.563 109.934 114.554 -0.094 0.000 2.857 358 T HA -0.094 4.258 4.350 0.003 0.000 0.266 358 T C 2.037 176.816 174.700 0.132 0.000 1.048 358 T CA 1.235 63.231 62.100 -0.173 0.000 1.139 358 T CB -0.257 68.296 68.868 -0.526 0.000 0.874 358 T HN 0.114 nan 8.240 nan 0.000 0.455 359 S N 1.630 117.404 115.700 0.122 0.000 2.368 359 S HA -0.103 4.369 4.470 0.003 0.000 0.225 359 S C 1.859 176.520 174.600 0.102 0.000 1.030 359 S CA 1.251 59.543 58.200 0.153 0.000 0.999 359 S CB -0.553 62.714 63.200 0.111 0.000 0.844 359 S HN 0.516 nan 8.310 nan 0.000 0.459 360 D N 1.547 122.001 120.400 0.090 0.000 2.117 360 D HA 0.016 4.657 4.640 0.003 0.000 0.198 360 D C 2.126 178.479 176.300 0.088 0.000 0.982 360 D CA 1.183 55.230 54.000 0.078 0.000 0.828 360 D CB -0.424 40.417 40.800 0.068 0.000 0.967 360 D HN 0.370 nan 8.370 nan 0.000 0.464 361 A N 0.679 123.586 122.820 0.146 0.000 1.898 361 A HA -0.129 4.192 4.320 0.003 0.000 0.216 361 A C 2.141 179.796 177.584 0.118 0.000 1.181 361 A CA 0.947 53.090 52.037 0.176 0.000 0.620 361 A CB -0.678 18.553 19.000 0.385 0.000 0.819 361 A HN 0.247 nan 8.150 nan 0.000 0.442 362 L N -0.197 121.088 121.223 0.105 0.000 2.083 362 L HA -0.025 4.317 4.340 0.003 0.000 0.209 362 L C 2.629 179.484 176.870 -0.026 0.000 1.083 362 L CA 2.059 56.904 54.840 0.009 0.000 0.752 362 L CB -0.819 41.161 42.059 -0.130 0.000 0.899 362 L HN 0.341 nan 8.230 nan 0.000 0.433 363 A N -1.506 121.314 122.820 -0.000 0.000 1.908 363 A HA -0.223 4.099 4.320 0.003 0.000 0.218 363 A C 2.269 179.827 177.584 -0.042 0.000 1.181 363 A CA 2.377 54.406 52.037 -0.013 0.000 0.627 363 A CB -1.217 17.793 19.000 0.017 0.000 0.818 363 A HN 0.511 nan 8.150 nan 0.000 0.445 364 T N 0.185 114.724 114.554 -0.025 0.000 2.746 364 T HA 0.006 4.358 4.350 0.003 0.000 0.267 364 T C 2.238 176.881 174.700 -0.095 0.000 1.039 364 T CA 1.537 63.609 62.100 -0.046 0.000 1.142 364 T CB -0.455 68.401 68.868 -0.019 0.000 0.866 364 T HN 0.608 nan 8.240 nan 0.000 0.444 365 A N 0.996 123.761 122.820 -0.092 0.000 1.902 365 A HA -0.063 4.259 4.320 0.003 0.000 0.217 365 A C 2.581 179.992 177.584 -0.289 0.000 1.181 365 A CA 1.387 53.337 52.037 -0.145 0.000 0.623 365 A CB -1.054 17.897 19.000 -0.082 0.000 0.818 365 A HN 0.353 nan 8.150 nan 0.000 0.443 366 V N -0.271 119.458 119.914 -0.308 0.000 2.343 366 V HA -0.226 3.896 4.120 0.003 0.000 0.247 366 V C 2.737 178.497 176.094 -0.556 0.000 1.051 366 V CA 2.465 64.430 62.300 -0.558 0.000 1.036 366 V CB -1.193 30.471 31.823 -0.265 0.000 0.654 366 V HN 0.618 nan 8.190 nan 0.000 0.451 367 T N -0.229 114.150 114.554 -0.290 0.000 2.788 367 T HA -0.146 4.205 4.350 0.003 0.000 0.268 367 T C 1.934 176.496 174.700 -0.230 0.000 1.044 367 T CA 1.521 63.494 62.100 -0.212 0.000 1.139 367 T CB -0.159 68.643 68.868 -0.111 0.000 0.867 367 T HN 0.283 nan 8.240 nan 0.000 0.454 368 V N 1.120 120.895 119.914 -0.232 0.000 2.307 368 V HA -0.086 4.036 4.120 0.003 0.000 0.245 368 V C 2.365 178.313 176.094 -0.243 0.000 1.045 368 V CA 1.308 63.493 62.300 -0.192 0.000 1.024 368 V CB -0.517 31.209 31.823 -0.162 0.000 0.651 368 V HN 0.322 nan 8.190 nan 0.000 0.449 369 L N 0.249 121.230 121.223 -0.404 0.000 2.141 369 L HA -0.010 4.332 4.340 0.003 0.000 0.209 369 L C 2.526 179.179 176.870 -0.360 0.000 1.094 369 L CA 1.955 56.551 54.840 -0.407 0.000 0.763 369 L CB -1.112 40.592 42.059 -0.592 0.000 0.908 369 L HN 0.278 nan 8.230 nan 0.000 0.437 370 A N -0.529 121.937 122.820 -0.591 0.000 1.930 370 A HA -0.058 4.263 4.320 0.003 0.000 0.217 370 A C 2.424 179.985 177.584 -0.038 0.000 1.175 370 A CA 1.485 53.379 52.037 -0.238 0.000 0.627 370 A CB -1.230 17.644 19.000 -0.210 0.000 0.815 370 A HN 0.413 nan 8.150 nan 0.000 0.443 371 G N -0.111 108.636 108.800 -0.087 0.000 2.422 371 G HA2 -0.131 3.830 3.960 0.003 0.000 0.218 371 G HA3 -0.131 3.830 3.960 0.003 0.000 0.218 371 G C 1.480 176.381 174.900 0.003 0.000 1.146 371 G CA 1.190 46.272 45.100 -0.030 0.000 0.769 371 G HN 0.512 nan 8.290 nan 0.000 0.547 372 L N 1.373 122.593 121.223 -0.006 0.000 2.017 372 L HA 0.160 4.502 4.340 0.003 0.000 0.208 372 L C 3.021 179.934 176.870 0.072 0.000 1.073 372 L CA 2.296 57.154 54.840 0.030 0.000 0.745 372 L CB -0.769 41.299 42.059 0.016 0.000 0.894 372 L HN 0.209 nan 8.230 nan 0.000 0.432 373 A N -0.822 122.067 122.820 0.114 0.000 1.902 373 A HA -0.233 4.089 4.320 0.003 0.000 0.217 373 A C 2.329 179.971 177.584 0.098 0.000 1.181 373 A CA 1.740 53.862 52.037 0.143 0.000 0.623 373 A CB -0.804 18.343 19.000 0.243 0.000 0.818 373 A HN 0.597 nan 8.150 nan 0.000 0.443 374 E N -0.009 120.242 120.200 0.086 0.000 2.077 374 E HA -0.201 4.151 4.350 0.003 0.000 0.193 374 E C 2.053 178.686 176.600 0.054 0.000 0.989 374 E CA 0.927 57.367 56.400 0.065 0.000 0.800 374 E CB -0.224 29.508 29.700 0.054 0.000 0.746 374 E HN 0.378 nan 8.360 nan 0.000 0.452 375 R N 0.307 120.837 120.500 0.049 0.000 2.148 375 R HA -0.030 4.312 4.340 0.003 0.000 0.223 375 R C 2.350 178.678 176.300 0.047 0.000 1.088 375 R CA 0.751 56.877 56.100 0.044 0.000 0.985 375 R CB -0.334 29.990 30.300 0.040 0.000 0.880 375 R HN 0.403 nan 8.270 nan 0.000 0.451 376 Q N -0.030 119.804 119.800 0.056 0.000 2.119 376 Q HA -0.016 4.326 4.340 0.003 0.000 0.201 376 Q C 2.139 178.161 176.000 0.037 0.000 0.972 376 Q CA 1.022 56.858 55.803 0.055 0.000 0.847 376 Q CB -0.020 28.760 28.738 0.071 0.000 0.903 376 Q HN 0.307 nan 8.270 nan 0.000 0.433 377 I N 0.516 121.108 120.570 0.037 0.000 2.252 377 I HA -0.232 3.939 4.170 0.003 0.000 0.245 377 I C 2.402 178.542 176.117 0.039 0.000 1.102 377 I CA 0.864 62.178 61.300 0.025 0.000 1.385 377 I CB -0.396 37.624 38.000 0.032 0.000 1.064 377 I HN 0.134 nan 8.210 nan 0.000 0.414 378 A N 0.796 123.645 122.820 0.049 0.000 1.978 378 A HA -0.250 4.072 4.320 0.003 0.000 0.220 378 A C 2.434 180.031 177.584 0.023 0.000 1.170 378 A CA 1.929 53.998 52.037 0.054 0.000 0.636 378 A CB -0.613 18.418 19.000 0.051 0.000 0.810 378 A HN 0.410 nan 8.150 nan 0.000 0.448 379 R N -1.040 119.469 120.500 0.014 0.000 2.066 379 R HA 0.027 4.369 4.340 0.003 0.000 0.224 379 R C 2.021 178.308 176.300 -0.021 0.000 1.122 379 R CA 1.189 57.286 56.100 -0.004 0.000 0.974 379 R CB -0.406 29.899 30.300 0.009 0.000 0.871 379 R HN 0.375 nan 8.270 nan 0.000 0.435 380 L N 1.368 122.583 121.223 -0.012 0.000 2.127 380 L HA -0.116 4.226 4.340 0.003 0.000 0.211 380 L C 1.906 178.748 176.870 -0.048 0.000 1.089 380 L CA 2.445 57.270 54.840 -0.025 0.000 0.757 380 L CB -0.461 41.584 42.059 -0.023 0.000 0.899 380 L HN 0.451 nan 8.230 nan 0.000 0.434 381 T N -4.302 110.223 114.554 -0.048 0.000 3.107 381 T HA 0.039 4.391 4.350 0.003 0.000 0.249 381 T C 0.710 175.197 174.700 -0.356 0.000 1.096 381 T CA -0.121 61.920 62.100 -0.098 0.000 1.012 381 T CB -0.456 68.470 68.868 0.097 0.000 0.977 381 T HN 0.255 nan 8.240 nan 0.000 0.527 382 D N 2.665 122.922 120.400 -0.238 0.000 2.347 382 D HA 0.076 4.718 4.640 0.003 0.000 0.235 382 D C 1.307 177.485 176.300 -0.204 0.000 1.149 382 D CA -0.306 53.534 54.000 -0.267 0.000 0.850 382 D CB 1.263 41.988 40.800 -0.124 0.000 1.061 382 D HN 0.614 nan 8.370 nan 0.000 0.487 383 E N 3.292 123.347 120.200 -0.242 0.000 2.267 383 E HA -0.204 4.147 4.350 0.003 0.000 0.197 383 E C 1.044 177.597 176.600 -0.079 0.000 0.998 383 E CA 0.821 57.142 56.400 -0.132 0.000 0.830 383 E CB 0.094 29.731 29.700 -0.104 0.000 0.751 383 E HN 0.371 nan 8.360 nan 0.000 0.491 384 R N 0.010 120.464 120.500 -0.077 0.000 2.246 384 R HA 0.171 4.513 4.340 0.003 0.000 0.199 384 R C 1.783 178.058 176.300 -0.042 0.000 0.984 384 R CA 0.566 56.638 56.100 -0.047 0.000 1.015 384 R CB 0.188 30.465 30.300 -0.037 0.000 0.930 384 R HN 0.285 nan 8.270 nan 0.000 0.475 385 L N 0.210 121.402 121.223 -0.052 0.000 2.781 385 L HA 0.110 4.452 4.340 0.003 0.000 0.245 385 L C 0.584 177.432 176.870 -0.036 0.000 1.118 385 L CA -0.080 54.736 54.840 -0.040 0.000 0.918 385 L CB 0.151 42.187 42.059 -0.037 0.000 1.246 385 L HN 0.114 nan 8.230 nan 0.000 0.526 386 N N 0.830 119.502 118.700 -0.047 0.000 2.362 386 N HA -0.031 4.711 4.740 0.003 0.000 0.211 386 N C 0.021 175.515 175.510 -0.028 0.000 1.170 386 N CA -0.314 52.713 53.050 -0.038 0.000 0.828 386 N CB -0.205 38.252 38.487 -0.050 0.000 1.034 386 N HN 0.047 nan 8.380 nan 0.000 0.475 387 R N -0.333 120.152 120.500 -0.025 0.000 3.158 387 R HA -0.178 4.164 4.340 0.003 0.000 0.244 387 R C 0.823 177.113 176.300 -0.016 0.000 0.900 387 R CA 0.540 56.629 56.100 -0.018 0.000 0.618 387 R CB -2.008 28.283 30.300 -0.015 0.000 1.061 387 R HN 0.650 nan 8.270 nan 0.000 0.471 388 G N -0.979 107.811 108.800 -0.017 0.000 2.194 388 G HA2 -0.303 3.659 3.960 0.003 0.000 0.236 388 G HA3 -0.303 3.659 3.960 0.003 0.000 0.236 388 G C 0.270 175.162 174.900 -0.014 0.000 0.987 388 G CA 0.066 45.158 45.100 -0.013 0.000 0.635 388 G HN 0.281 nan 8.290 nan 0.000 0.520 389 L N 1.436 122.647 121.223 -0.020 0.000 2.436 389 L HA 0.416 4.757 4.340 0.003 0.000 0.265 389 L C -1.604 175.255 176.870 -0.019 0.000 1.168 389 L CA -2.031 52.797 54.840 -0.020 0.000 0.815 389 L CB 0.599 42.645 42.059 -0.020 0.000 1.109 389 L HN -0.092 nan 8.230 nan 0.000 0.462 390 P HA 0.036 nan 4.420 nan 0.000 0.267 390 P C -2.473 174.864 177.300 0.061 0.000 1.200 390 P CA -0.846 62.259 63.100 0.009 0.000 0.772 390 P CB -0.181 31.424 31.700 -0.159 0.000 0.855 391 P HA 0.004 nan 4.420 nan 0.000 0.267 391 P C -0.238 177.140 177.300 0.130 0.000 1.209 391 P CA 0.310 63.384 63.100 -0.044 0.000 0.763 391 P CB -0.139 31.578 31.700 0.028 0.000 0.816 392 F N 1.615 121.663 119.950 0.163 0.000 3.069 392 F HA -0.243 4.284 4.527 0.000 0.000 0.285 392 F C 1.259 177.233 175.800 0.290 0.000 0.827 392 F CA 0.360 58.480 58.000 0.200 0.000 1.108 392 F CB -2.604 36.503 39.000 0.178 0.000 1.252 392 F HN 0.270 nan 8.300 nan 0.000 0.483 393 L N -1.598 119.794 121.223 0.282 0.000 3.737 393 L HA -0.309 4.033 4.340 0.003 0.000 0.418 393 L C 1.252 178.282 176.870 0.267 0.000 1.216 393 L CA 1.026 56.012 54.840 0.243 0.000 0.915 393 L CB -1.957 40.266 42.059 0.273 0.000 1.834 393 L HN 0.687 nan 8.230 nan 0.000 0.943 394 H N 0.390 119.580 119.070 0.201 0.000 2.603 394 H HA 0.689 5.247 4.556 0.003 0.000 0.370 394 H C 0.231 175.612 175.328 0.088 0.000 1.225 394 H CA -0.509 55.615 56.048 0.125 0.000 1.410 394 H CB 0.980 30.807 29.762 0.109 0.000 1.495 394 H HN 0.303 nan 8.280 nan 0.000 0.602 395 R N -0.040 120.456 120.500 -0.006 0.000 2.888 395 R HA 0.479 4.821 4.340 0.003 0.000 0.266 395 R C -0.318 176.064 176.300 0.137 0.000 1.020 395 R CA -0.246 55.827 56.100 -0.046 0.000 0.963 395 R CB 2.078 32.377 30.300 -0.002 0.000 1.197 395 R HN 1.099 nan 8.270 nan 0.000 0.481 396 G N 1.353 110.211 108.800 0.097 0.000 2.760 396 G HA2 -0.184 3.778 3.960 0.003 0.000 0.246 396 G HA3 -0.184 3.778 3.960 0.003 0.000 0.246 396 G C -2.728 172.291 174.900 0.198 0.000 1.359 396 G CA -1.232 43.941 45.100 0.121 0.000 0.861 396 G HN 0.383 nan 8.290 nan 0.000 0.541 397 P HA 0.456 nan 4.420 nan 0.000 0.264 397 P C 0.400 177.734 177.300 0.056 0.000 1.193 397 P CA 0.810 63.971 63.100 0.103 0.000 0.763 397 P CB 0.734 32.461 31.700 0.046 0.000 0.810 398 A N 3.371 126.212 122.820 0.034 0.000 2.445 398 A HA 0.490 4.811 4.320 0.003 0.000 0.242 398 A C 1.588 179.073 177.584 -0.164 0.000 1.075 398 A CA 0.770 52.644 52.037 -0.271 0.000 0.777 398 A CB -0.920 18.014 19.000 -0.111 0.000 1.013 398 A HN 0.807 nan 8.150 nan 0.000 0.493 399 G N 0.374 109.053 108.800 -0.203 0.000 3.329 399 G HA2 -0.305 3.657 3.960 0.003 0.000 0.220 399 G HA3 -0.305 3.657 3.960 0.003 0.000 0.220 399 G C 1.066 175.915 174.900 -0.085 0.000 1.358 399 G CA 0.531 45.570 45.100 -0.101 0.000 0.856 399 G HN 0.868 nan 8.290 nan 0.000 0.551 400 L N 0.972 122.154 121.223 -0.068 0.000 2.275 400 L HA 0.154 4.496 4.340 0.003 0.000 0.215 400 L C 0.809 177.649 176.870 -0.050 0.000 1.119 400 L CA 0.880 55.694 54.840 -0.043 0.000 0.790 400 L CB -0.299 41.749 42.059 -0.018 0.000 0.919 400 L HN 0.313 nan 8.230 nan 0.000 0.443 401 N N -1.459 117.192 118.700 -0.082 0.000 2.238 401 N HA 0.226 4.968 4.740 0.003 0.000 0.302 401 N C -0.132 175.302 175.510 -0.126 0.000 1.072 401 N CA -0.153 52.861 53.050 -0.060 0.000 0.792 401 N CB 2.178 40.694 38.487 0.047 0.000 1.425 401 N HN -0.238 nan 8.380 nan 0.000 0.478 402 S N -0.054 115.609 115.700 -0.063 0.000 2.603 402 S HA 0.265 4.736 4.470 0.003 0.000 0.232 402 S C 1.237 175.869 174.600 0.053 0.000 1.016 402 S CA 0.062 58.233 58.200 -0.049 0.000 0.976 402 S CB 0.578 63.697 63.200 -0.135 0.000 0.921 402 S HN 0.936 nan 8.310 nan 0.000 0.516 403 G N 2.500 111.329 108.800 0.048 0.000 2.634 403 G HA2 -0.347 3.615 3.960 0.003 0.000 0.318 403 G HA3 -0.347 3.615 3.960 0.003 0.000 0.318 403 G C 0.235 175.023 174.900 -0.187 0.000 1.207 403 G CA 0.809 45.898 45.100 -0.017 0.000 0.987 403 G HN 0.459 nan 8.290 nan 0.000 0.547 404 F N 1.375 121.408 119.950 0.139 0.000 2.664 404 F HA 0.482 5.010 4.527 0.002 0.000 0.301 404 F C 2.380 178.209 175.800 0.048 0.000 1.126 404 F CA 0.918 58.976 58.000 0.096 0.000 1.373 404 F CB 0.152 39.227 39.000 0.125 0.000 1.042 404 F HN 0.327 nan 8.300 nan 0.000 0.535 405 M N -0.015 119.576 119.600 -0.015 0.000 2.108 405 M HA -0.127 4.355 4.480 0.003 0.000 0.261 405 M C 2.380 178.546 176.300 -0.222 0.000 1.066 405 M CA 2.238 57.254 55.300 -0.474 0.000 1.107 405 M CB -0.447 31.605 32.600 -0.914 0.000 1.356 405 M HN 0.309 nan 8.290 nan 0.000 0.406 406 G N -0.836 107.891 108.800 -0.121 0.000 2.394 406 G HA2 -0.095 3.867 3.960 0.003 0.000 0.214 406 G HA3 -0.095 3.867 3.960 0.003 0.000 0.214 406 G C 1.488 176.391 174.900 0.004 0.000 1.176 406 G CA 0.720 45.780 45.100 -0.066 0.000 0.786 406 G HN 0.612 nan 8.290 nan 0.000 0.533 407 A N 0.008 122.868 122.820 0.066 0.000 1.940 407 A HA -0.113 4.209 4.320 0.003 0.000 0.219 407 A C 2.273 179.923 177.584 0.109 0.000 1.176 407 A CA 2.065 54.171 52.037 0.116 0.000 0.631 407 A CB -0.425 18.722 19.000 0.245 0.000 0.814 407 A HN 0.389 nan 8.150 nan 0.000 0.446 408 Q N 0.044 119.924 119.800 0.133 0.000 2.084 408 Q HA -0.119 4.223 4.340 0.003 0.000 0.202 408 Q C 2.106 178.157 176.000 0.085 0.000 0.978 408 Q CA 2.027 57.908 55.803 0.132 0.000 0.844 408 Q CB -0.298 28.574 28.738 0.223 0.000 0.898 408 Q HN 0.430 nan 8.270 nan 0.000 0.426 409 V N 0.543 120.488 119.914 0.051 0.000 2.427 409 V HA -0.208 3.914 4.120 0.003 0.000 0.248 409 V C 2.369 178.481 176.094 0.030 0.000 1.051 409 V CA 2.034 64.353 62.300 0.031 0.000 1.048 409 V CB -0.826 30.996 31.823 -0.002 0.000 0.666 409 V HN 0.383 nan 8.190 nan 0.000 0.456 410 T N 0.430 115.002 114.554 0.030 0.000 2.759 410 T HA -0.188 4.164 4.350 0.003 0.000 0.269 410 T C 2.049 176.770 174.700 0.035 0.000 1.042 410 T CA 1.647 63.764 62.100 0.028 0.000 1.140 410 T CB -0.382 68.503 68.868 0.028 0.000 0.864 410 T HN 0.579 nan 8.240 nan 0.000 0.455 411 A N 1.149 123.996 122.820 0.045 0.000 1.902 411 A HA -0.121 4.201 4.320 0.003 0.000 0.217 411 A C 2.549 180.161 177.584 0.047 0.000 1.181 411 A CA 2.053 54.119 52.037 0.048 0.000 0.623 411 A CB -1.160 17.873 19.000 0.054 0.000 0.818 411 A HN 0.479 nan 8.150 nan 0.000 0.443 412 T N 0.294 114.875 114.554 0.045 0.000 2.746 412 T HA 0.004 4.355 4.350 0.003 0.000 0.267 412 T C 2.220 176.938 174.700 0.031 0.000 1.039 412 T CA 1.471 63.594 62.100 0.038 0.000 1.142 412 T CB -0.429 68.462 68.868 0.039 0.000 0.866 412 T HN 0.595 nan 8.240 nan 0.000 0.444 413 A N 1.411 124.248 122.820 0.028 0.000 1.877 413 A HA -0.002 4.320 4.320 0.003 0.000 0.216 413 A C 2.304 179.903 177.584 0.025 0.000 1.186 413 A CA 1.225 53.275 52.037 0.023 0.000 0.620 413 A CB -0.876 18.136 19.000 0.019 0.000 0.822 413 A HN 0.475 nan 8.150 nan 0.000 0.443 414 L N -1.161 120.080 121.223 0.031 0.000 2.046 414 L HA -0.174 4.168 4.340 0.003 0.000 0.208 414 L C 2.579 179.471 176.870 0.037 0.000 1.077 414 L CA 1.220 56.082 54.840 0.036 0.000 0.747 414 L CB -0.570 41.516 42.059 0.045 0.000 0.896 414 L HN 0.470 nan 8.230 nan 0.000 0.432 415 L N 0.255 121.500 121.223 0.036 0.000 2.027 415 L HA -0.115 4.227 4.340 0.003 0.000 0.206 415 L C 2.662 179.542 176.870 0.016 0.000 1.074 415 L CA 1.978 56.833 54.840 0.026 0.000 0.745 415 L CB -0.713 41.361 42.059 0.025 0.000 0.898 415 L HN 0.132 nan 8.230 nan 0.000 0.433 416 A N -0.816 122.014 122.820 0.017 0.000 1.940 416 A HA -0.294 4.028 4.320 0.003 0.000 0.219 416 A C 2.328 179.919 177.584 0.013 0.000 1.176 416 A CA 1.938 53.983 52.037 0.013 0.000 0.631 416 A CB -0.769 18.239 19.000 0.014 0.000 0.814 416 A HN 0.644 nan 8.150 nan 0.000 0.446 417 E N -0.607 119.602 120.200 0.016 0.000 2.077 417 E HA -0.190 4.162 4.350 0.003 0.000 0.193 417 E C 2.051 178.660 176.600 0.016 0.000 0.989 417 E CA 1.360 57.770 56.400 0.016 0.000 0.800 417 E CB -0.215 29.497 29.700 0.020 0.000 0.746 417 E HN 0.678 nan 8.360 nan 0.000 0.452 418 M N 0.032 119.643 119.600 0.017 0.000 2.108 418 M HA -0.186 4.296 4.480 0.003 0.000 0.261 418 M C 2.345 178.648 176.300 0.005 0.000 1.066 418 M CA 1.605 56.913 55.300 0.013 0.000 1.107 418 M CB -0.258 32.346 32.600 0.007 0.000 1.356 418 M HN 0.025 nan 8.290 nan 0.000 0.406 419 R N 0.165 120.666 120.500 0.001 0.000 2.193 419 R HA -0.044 4.298 4.340 0.003 0.000 0.229 419 R C 2.233 178.537 176.300 0.007 0.000 1.110 419 R CA 1.134 57.234 56.100 -0.001 0.000 0.988 419 R CB -0.475 29.823 30.300 -0.003 0.000 0.871 419 R HN 0.391 nan 8.270 nan 0.000 0.458 420 A N 0.559 123.385 122.820 0.010 0.000 2.067 420 A HA -0.036 4.285 4.320 0.003 0.000 0.219 420 A C 0.846 178.441 177.584 0.017 0.000 1.158 420 A CA 0.946 52.990 52.037 0.013 0.000 0.661 420 A CB 0.062 19.069 19.000 0.011 0.000 0.801 420 A HN 0.113 nan 8.150 nan 0.000 0.452 421 T N 0.158 114.724 114.554 0.019 0.000 2.767 421 T HA 0.547 4.898 4.350 0.003 0.000 0.284 421 T C 0.467 175.188 174.700 0.036 0.000 0.973 421 T CA 0.062 62.178 62.100 0.028 0.000 0.996 421 T CB 1.515 70.399 68.868 0.026 0.000 0.927 421 T HN 0.377 nan 8.240 nan 0.000 0.456 422 G N 3.058 111.892 108.800 0.058 0.000 2.828 422 G HA2 0.667 4.629 3.960 0.003 0.000 0.244 422 G HA3 0.667 4.629 3.960 0.003 0.000 0.244 422 G C -2.643 172.304 174.900 0.079 0.000 1.365 422 G CA -1.577 43.560 45.100 0.062 0.000 1.041 422 G HN 0.436 nan 8.290 nan 0.000 0.560 423 P HA 0.267 nan 4.420 nan 0.000 0.266 423 P C 0.326 177.690 177.300 0.107 0.000 1.195 423 P CA 0.347 63.482 63.100 0.058 0.000 0.768 423 P CB 1.358 33.067 31.700 0.015 0.000 0.838 424 A N 2.005 124.890 122.820 0.109 0.000 1.984 424 A HA -0.043 4.278 4.320 0.003 0.000 0.214 424 A C 2.057 179.714 177.584 0.123 0.000 1.173 424 A CA 1.048 53.189 52.037 0.173 0.000 0.673 424 A CB -1.027 18.042 19.000 0.115 0.000 0.830 424 A HN 0.476 nan 8.150 nan 0.000 0.453 425 S N 0.614 116.339 115.700 0.042 0.000 2.419 425 S HA -0.179 4.293 4.470 0.003 0.000 0.235 425 S C 1.676 176.242 174.600 -0.056 0.000 1.019 425 S CA 1.553 59.757 58.200 0.006 0.000 0.982 425 S CB -0.696 62.507 63.200 0.005 0.000 0.789 425 S HN 0.790 nan 8.310 nan 0.000 0.490 426 I N -1.308 119.154 120.570 -0.179 0.000 3.444 426 I HA 0.053 4.225 4.170 0.003 0.000 0.287 426 I C 0.659 176.555 176.117 -0.369 0.000 1.302 426 I CA 0.954 62.082 61.300 -0.287 0.000 1.368 426 I CB -0.355 37.427 38.000 -0.363 0.000 1.048 426 I HN 0.167 nan 8.210 nan 0.000 0.487 427 H N 1.219 120.299 119.070 0.018 0.000 2.550 427 H HA 0.315 4.872 4.556 0.002 0.000 0.304 427 H C 0.589 175.928 175.328 0.019 0.000 1.086 427 H CA -0.244 55.814 56.048 0.017 0.000 1.089 427 H CB 0.126 29.899 29.762 0.017 0.000 1.528 427 H HN 0.290 nan 8.280 nan 0.000 0.539 428 S N 1.271 117.016 115.700 0.075 0.000 2.552 428 S HA 0.187 4.659 4.470 0.003 0.000 0.289 428 S C 0.286 174.924 174.600 0.063 0.000 1.304 428 S CA -0.208 58.030 58.200 0.064 0.000 1.063 428 S CB -0.028 63.194 63.200 0.038 0.000 0.848 428 S HN 0.303 nan 8.310 nan 0.000 0.499 429 I N 3.567 124.173 120.570 0.060 0.000 2.499 429 I HA 0.208 4.379 4.170 0.003 0.000 0.288 429 I C 0.079 176.222 176.117 0.044 0.000 1.048 429 I CA -0.605 60.726 61.300 0.051 0.000 1.062 429 I CB 2.084 40.114 38.000 0.051 0.000 1.238 429 I HN 0.590 nan 8.210 nan 0.000 0.426 430 S N 4.276 119.999 115.700 0.038 0.000 2.544 430 S HA 0.234 4.705 4.470 0.003 0.000 0.290 430 S C -0.177 174.445 174.600 0.036 0.000 1.276 430 S CA 0.470 58.692 58.200 0.037 0.000 1.075 430 S CB 0.262 63.480 63.200 0.031 0.000 0.849 430 S HN 0.788 nan 8.310 nan 0.000 0.494 431 T N 3.047 117.624 114.554 0.038 0.000 2.647 431 T HA 0.405 4.757 4.350 0.003 0.000 0.295 431 T C -0.348 174.374 174.700 0.037 0.000 1.126 431 T CA -0.062 62.059 62.100 0.036 0.000 1.040 431 T CB 0.764 69.654 68.868 0.037 0.000 1.472 431 T HN 0.922 nan 8.240 nan 0.000 0.500 432 N N 0.595 119.317 118.700 0.036 0.000 2.727 432 N HA -0.226 4.515 4.740 0.003 0.000 0.251 432 N C 0.309 175.841 175.510 0.036 0.000 1.040 432 N CA 0.858 53.931 53.050 0.038 0.000 0.712 432 N CB -1.219 37.295 38.487 0.045 0.000 0.912 432 N HN 1.638 nan 8.380 nan 0.000 0.545 433 A N -0.623 122.215 122.820 0.029 0.000 2.822 433 A HA 0.015 4.337 4.320 0.003 0.000 0.287 433 A C 1.330 178.931 177.584 0.029 0.000 1.479 433 A CA 2.041 54.093 52.037 0.026 0.000 0.779 433 A CB -2.275 16.740 19.000 0.024 0.000 1.022 433 A HN 2.269 nan 8.150 nan 0.000 0.532 434 A N -2.376 120.463 122.820 0.030 0.000 3.413 434 A HA -0.359 3.963 4.320 0.003 0.000 0.268 434 A C 1.389 178.994 177.584 0.036 0.000 1.128 434 A CA 2.056 54.112 52.037 0.031 0.000 1.062 434 A CB -2.524 16.491 19.000 0.026 0.000 1.121 434 A HN 2.235 nan 8.150 nan 0.000 0.895 435 N N 0.009 118.734 118.700 0.041 0.000 2.171 435 N HA -0.089 4.653 4.740 0.003 0.000 0.184 435 N C 0.983 176.527 175.510 0.056 0.000 1.021 435 N CA 1.846 54.925 53.050 0.048 0.000 0.854 435 N CB -0.162 38.357 38.487 0.054 0.000 0.994 435 N HN 0.744 nan 8.380 nan 0.000 0.426 436 Q N 0.626 120.459 119.800 0.055 0.000 3.091 436 Q HA 0.060 4.402 4.340 0.003 0.000 0.301 436 Q C -0.408 175.626 176.000 0.056 0.000 1.337 436 Q CA -0.266 55.576 55.803 0.066 0.000 1.083 436 Q CB 0.512 29.286 28.738 0.059 0.000 1.477 436 Q HN 0.521 nan 8.270 nan 0.000 0.537 437 D N -0.435 119.996 120.400 0.051 0.000 2.348 437 D HA -0.072 4.570 4.640 0.003 0.000 0.216 437 D C 0.636 176.961 176.300 0.041 0.000 0.970 437 D CA 0.384 54.408 54.000 0.042 0.000 0.889 437 D CB 0.135 40.956 40.800 0.034 0.000 0.912 437 D HN 0.202 nan 8.370 nan 0.000 0.524 438 V N -1.593 118.350 119.914 0.049 0.000 2.686 438 V HA 0.737 4.859 4.120 0.003 0.000 0.306 438 V C -0.384 175.746 176.094 0.061 0.000 1.065 438 V CA -1.216 61.112 62.300 0.045 0.000 0.894 438 V CB 1.802 33.645 31.823 0.034 0.000 1.004 438 V HN 0.081 nan 8.190 nan 0.000 0.424 439 V N 1.065 121.014 119.914 0.059 0.000 2.962 439 V HA 0.781 4.903 4.120 0.003 0.000 0.313 439 V C 1.078 177.208 176.094 0.060 0.000 1.099 439 V CA 0.250 62.592 62.300 0.071 0.000 0.971 439 V CB 1.458 33.322 31.823 0.068 0.000 1.028 439 V HN 1.247 nan 8.190 nan 0.000 0.430 440 S N 2.193 117.933 115.700 0.066 0.000 2.425 440 S HA 0.097 4.569 4.470 0.003 0.000 0.225 440 S C 1.131 175.762 174.600 0.052 0.000 1.024 440 S CA 1.049 59.281 58.200 0.052 0.000 0.951 440 S CB -0.848 62.385 63.200 0.055 0.000 0.796 440 S HN 1.346 nan 8.310 nan 0.000 0.498 441 L N 0.441 121.700 121.223 0.059 0.000 4.001 441 L HA -0.199 4.143 4.340 0.003 0.000 0.413 441 L C 1.493 178.396 176.870 0.055 0.000 1.185 441 L CA 0.028 54.904 54.840 0.060 0.000 0.963 441 L CB -2.306 39.797 42.059 0.074 0.000 1.976 441 L HN 0.534 nan 8.230 nan 0.000 0.939 442 G N -0.407 108.423 108.800 0.050 0.000 2.432 442 G HA2 -0.193 3.769 3.960 0.003 0.000 0.219 442 G HA3 -0.193 3.769 3.960 0.003 0.000 0.219 442 G C 1.284 176.210 174.900 0.043 0.000 1.135 442 G CA 1.349 46.475 45.100 0.043 0.000 0.767 442 G HN 0.472 nan 8.290 nan 0.000 0.550 443 T N 1.358 115.937 114.554 0.041 0.000 2.777 443 T HA -0.037 4.315 4.350 0.003 0.000 0.266 443 T C 2.373 177.097 174.700 0.039 0.000 1.040 443 T CA 0.969 63.090 62.100 0.036 0.000 1.141 443 T CB -0.128 68.758 68.868 0.030 0.000 0.868 443 T HN 0.269 nan 8.240 nan 0.000 0.444 444 I N 1.601 122.197 120.570 0.042 0.000 2.226 444 I HA -0.149 4.023 4.170 0.003 0.000 0.245 444 I C 3.010 179.158 176.117 0.052 0.000 1.100 444 I CA 1.060 62.386 61.300 0.044 0.000 1.374 444 I CB -0.542 37.487 38.000 0.048 0.000 1.057 444 I HN 0.206 nan 8.210 nan 0.000 0.413 445 A N 0.831 123.685 122.820 0.057 0.000 1.883 445 A HA -0.216 4.105 4.320 0.003 0.000 0.217 445 A C 2.538 180.160 177.584 0.063 0.000 1.186 445 A CA 2.085 54.159 52.037 0.062 0.000 0.624 445 A CB -0.921 18.115 19.000 0.060 0.000 0.822 445 A HN 0.440 nan 8.150 nan 0.000 0.444 446 A N -0.554 122.304 122.820 0.063 0.000 1.930 446 A HA -0.131 4.191 4.320 0.003 0.000 0.217 446 A C 2.248 179.871 177.584 0.066 0.000 1.175 446 A CA 1.475 53.557 52.037 0.074 0.000 0.627 446 A CB -0.420 18.622 19.000 0.070 0.000 0.815 446 A HN 0.552 nan 8.150 nan 0.000 0.443 447 R N -0.574 119.958 120.500 0.054 0.000 2.092 447 R HA 0.031 4.373 4.340 0.003 0.000 0.231 447 R C 1.965 178.294 176.300 0.049 0.000 1.119 447 R CA 1.280 57.408 56.100 0.048 0.000 0.970 447 R CB -0.420 29.902 30.300 0.037 0.000 0.864 447 R HN 0.502 nan 8.270 nan 0.000 0.440 448 L N -0.314 120.938 121.223 0.048 0.000 2.141 448 L HA -0.194 4.148 4.340 0.003 0.000 0.209 448 L C 2.727 179.626 176.870 0.049 0.000 1.094 448 L CA 0.668 55.535 54.840 0.046 0.000 0.763 448 L CB -0.484 41.603 42.059 0.047 0.000 0.908 448 L HN 0.364 nan 8.230 nan 0.000 0.437 449 C N 0.371 119.703 119.300 0.053 0.000 2.440 449 C HA -0.135 4.327 4.460 0.003 0.000 0.278 449 C C 3.094 178.122 174.990 0.064 0.000 1.295 449 C CA 0.771 59.819 59.018 0.051 0.000 1.738 449 C CB -0.530 27.240 27.740 0.050 0.000 1.987 449 C HN 0.496 nan 8.230 nan 0.000 0.492 450 R N 1.292 121.834 120.500 0.070 0.000 2.081 450 R HA -0.071 4.271 4.340 0.003 0.000 0.235 450 R C 2.097 178.444 176.300 0.080 0.000 1.131 450 R CA 1.956 58.105 56.100 0.080 0.000 0.960 450 R CB -0.799 29.547 30.300 0.076 0.000 0.856 450 R HN 0.533 nan 8.270 nan 0.000 0.436 451 E N 0.717 120.956 120.200 0.066 0.000 2.110 451 E HA -0.167 4.185 4.350 0.003 0.000 0.193 451 E C 1.823 178.467 176.600 0.073 0.000 0.988 451 E CA 1.311 57.748 56.400 0.061 0.000 0.804 451 E CB -0.090 29.638 29.700 0.047 0.000 0.745 451 E HN 0.435 nan 8.360 nan 0.000 0.458 452 K N 0.332 120.776 120.400 0.072 0.000 2.097 452 K HA -0.022 4.300 4.320 0.003 0.000 0.205 452 K C 2.311 179.002 176.600 0.151 0.000 1.050 452 K CA 0.744 57.079 56.287 0.079 0.000 0.938 452 K CB -0.113 32.410 32.500 0.039 0.000 0.718 452 K HN 0.084 nan 8.250 nan 0.000 0.442 453 I N 1.521 122.192 120.570 0.169 0.000 2.226 453 I HA -0.289 3.883 4.170 0.003 0.000 0.245 453 I C 1.600 177.840 176.117 0.204 0.000 1.100 453 I CA 1.205 62.661 61.300 0.260 0.000 1.374 453 I CB -0.231 37.888 38.000 0.198 0.000 1.057 453 I HN 0.150 nan 8.210 nan 0.000 0.413 454 D N 0.494 120.972 120.400 0.129 0.000 2.117 454 D HA -0.126 4.516 4.640 0.003 0.000 0.198 454 D C 2.334 178.688 176.300 0.090 0.000 0.982 454 D CA 0.895 54.946 54.000 0.085 0.000 0.828 454 D CB -0.216 40.623 40.800 0.065 0.000 0.967 454 D HN 0.168 nan 8.370 nan 0.000 0.464 455 R N -0.016 120.553 120.500 0.114 0.000 2.075 455 R HA -0.123 4.219 4.340 0.003 0.000 0.232 455 R C 2.134 178.542 176.300 0.179 0.000 1.126 455 R CA 0.519 56.686 56.100 0.112 0.000 0.963 455 R CB -1.078 29.279 30.300 0.096 0.000 0.858 455 R HN 0.347 nan 8.270 nan 0.000 0.435 456 W N 1.843 123.143 121.300 0.000 0.000 2.363 456 W HA -0.093 4.568 4.660 0.003 0.000 0.296 456 W C 2.095 178.605 176.519 -0.016 0.000 1.212 456 W CA 1.388 58.733 57.345 0.000 0.000 1.260 456 W CB -0.608 28.859 29.460 0.012 0.000 1.131 456 W HN 0.142 nan 8.180 nan 0.000 0.530 457 A N 0.153 122.970 122.820 -0.004 0.000 1.933 457 A HA -0.223 4.098 4.320 0.003 0.000 0.218 457 A C 1.864 179.360 177.584 -0.147 0.000 1.175 457 A CA 1.959 53.881 52.037 -0.191 0.000 0.628 457 A CB -0.743 18.173 19.000 -0.140 0.000 0.814 457 A HN 0.459 nan 8.150 nan 0.000 0.444 458 E N -0.393 119.778 120.200 -0.048 0.000 2.107 458 E HA -0.080 4.272 4.350 0.003 0.000 0.191 458 E C 1.825 178.406 176.600 -0.032 0.000 0.982 458 E CA 1.040 57.414 56.400 -0.044 0.000 0.809 458 E CB -0.228 29.470 29.700 -0.003 0.000 0.756 458 E HN 0.695 nan 8.360 nan 0.000 0.459 459 I N 0.841 121.428 120.570 0.029 0.000 2.252 459 I HA -0.259 3.913 4.170 0.003 0.000 0.245 459 I C 2.191 178.314 176.117 0.010 0.000 1.102 459 I CA 0.940 62.274 61.300 0.056 0.000 1.385 459 I CB -0.112 37.977 38.000 0.150 0.000 1.064 459 I HN 0.114 nan 8.210 nan 0.000 0.414 460 L N 0.389 121.586 121.223 -0.044 0.000 2.141 460 L HA -0.176 4.166 4.340 0.003 0.000 0.209 460 L C 2.815 179.569 176.870 -0.193 0.000 1.094 460 L CA 1.131 55.900 54.840 -0.118 0.000 0.763 460 L CB -0.646 41.253 42.059 -0.268 0.000 0.908 460 L HN 0.235 nan 8.230 nan 0.000 0.437 461 A N 0.399 123.078 122.820 -0.235 0.000 1.902 461 A HA -0.179 4.143 4.320 0.003 0.000 0.217 461 A C 2.203 179.659 177.584 -0.213 0.000 1.181 461 A CA 1.495 53.361 52.037 -0.286 0.000 0.623 461 A CB -0.602 18.243 19.000 -0.258 0.000 0.818 461 A HN 0.344 nan 8.150 nan 0.000 0.443 462 I N -0.864 119.629 120.570 -0.128 0.000 2.179 462 I HA -0.223 3.948 4.170 0.003 0.000 0.242 462 I C 2.428 178.467 176.117 -0.130 0.000 1.088 462 I CA 1.198 62.446 61.300 -0.087 0.000 1.357 462 I CB -0.297 37.692 38.000 -0.019 0.000 1.051 462 I HN 0.389 nan 8.210 nan 0.000 0.409 463 L N 1.285 122.450 121.223 -0.095 0.000 2.046 463 L HA -0.165 4.177 4.340 0.003 0.000 0.208 463 L C 2.562 179.368 176.870 -0.106 0.000 1.077 463 L CA 2.137 56.927 54.840 -0.083 0.000 0.747 463 L CB -0.837 41.215 42.059 -0.012 0.000 0.896 463 L HN 0.194 nan 8.230 nan 0.000 0.432 464 A N -0.455 122.299 122.820 -0.109 0.000 1.883 464 A HA -0.189 4.133 4.320 0.003 0.000 0.217 464 A C 2.272 179.781 177.584 -0.125 0.000 1.186 464 A CA 2.098 54.086 52.037 -0.082 0.000 0.624 464 A CB -0.953 17.951 19.000 -0.159 0.000 0.822 464 A HN 0.508 nan 8.150 nan 0.000 0.444 465 L N -0.958 120.147 121.223 -0.196 0.000 2.083 465 L HA -0.234 4.108 4.340 0.003 0.000 0.209 465 L C 2.717 179.368 176.870 -0.365 0.000 1.083 465 L CA 1.140 55.874 54.840 -0.176 0.000 0.752 465 L CB -0.692 41.318 42.059 -0.082 0.000 0.899 465 L HN 0.499 nan 8.230 nan 0.000 0.433 466 C N -0.213 118.734 119.300 -0.588 0.000 2.446 466 C HA -0.124 4.338 4.460 0.003 0.000 0.277 466 C C 2.743 177.522 174.990 -0.352 0.000 1.275 466 C CA 0.456 58.988 59.018 -0.809 0.000 1.727 466 C CB -0.682 26.720 27.740 -0.564 0.000 2.010 466 C HN 0.429 nan 8.230 nan 0.000 0.486 467 L N 0.822 121.935 121.223 -0.184 0.000 2.141 467 L HA -0.107 4.235 4.340 0.003 0.000 0.209 467 L C 2.832 179.685 176.870 -0.027 0.000 1.094 467 L CA 1.368 56.166 54.840 -0.069 0.000 0.763 467 L CB -0.636 41.416 42.059 -0.012 0.000 0.908 467 L HN 0.331 nan 8.230 nan 0.000 0.437 468 A N -0.332 122.477 122.820 -0.019 0.000 1.902 468 A HA -0.286 4.036 4.320 0.003 0.000 0.217 468 A C 2.207 179.818 177.584 0.045 0.000 1.181 468 A CA 1.916 53.975 52.037 0.036 0.000 0.623 468 A CB -0.482 18.557 19.000 0.065 0.000 0.818 468 A HN 0.414 nan 8.150 nan 0.000 0.443 469 Q N -0.332 119.493 119.800 0.041 0.000 2.046 469 Q HA -0.008 4.334 4.340 0.003 0.000 0.200 469 Q C 2.083 178.115 176.000 0.053 0.000 0.975 469 Q CA 2.075 57.938 55.803 0.100 0.000 0.836 469 Q CB -0.508 28.375 28.738 0.241 0.000 0.896 469 Q HN 0.542 nan 8.270 nan 0.000 0.428 470 A N 0.394 123.216 122.820 0.003 0.000 1.933 470 A HA -0.090 4.232 4.320 0.003 0.000 0.218 470 A C 2.293 179.883 177.584 0.011 0.000 1.175 470 A CA 1.790 53.827 52.037 0.001 0.000 0.628 470 A CB -1.192 17.793 19.000 -0.025 0.000 0.814 470 A HN 0.548 nan 8.150 nan 0.000 0.444 471 A N -0.077 122.753 122.820 0.016 0.000 1.902 471 A HA -0.182 4.140 4.320 0.003 0.000 0.217 471 A C 1.919 179.517 177.584 0.025 0.000 1.181 471 A CA 1.659 53.709 52.037 0.023 0.000 0.623 471 A CB -0.515 18.504 19.000 0.031 0.000 0.818 471 A HN 0.652 nan 8.150 nan 0.000 0.443 472 E N -0.252 119.967 120.200 0.032 0.000 2.106 472 E HA -0.085 4.267 4.350 0.003 0.000 0.192 472 E C 1.902 178.516 176.600 0.023 0.000 0.984 472 E CA 0.942 57.361 56.400 0.032 0.000 0.806 472 E CB -0.253 29.473 29.700 0.044 0.000 0.750 472 E HN 0.615 nan 8.360 nan 0.000 0.458 473 L N 0.424 121.660 121.223 0.021 0.000 2.141 473 L HA -0.125 4.217 4.340 0.003 0.000 0.209 473 L C 2.614 179.486 176.870 0.003 0.000 1.094 473 L CA 0.830 55.675 54.840 0.007 0.000 0.763 473 L CB -0.124 41.936 42.059 0.002 0.000 0.908 473 L HN 0.006 nan 8.230 nan 0.000 0.437 474 R N -0.305 120.199 120.500 0.006 0.000 2.080 474 R HA -0.025 4.317 4.340 0.003 0.000 0.222 474 R C 1.745 178.049 176.300 0.007 0.000 1.107 474 R CA 1.504 57.607 56.100 0.004 0.000 0.980 474 R CB -0.345 29.958 30.300 0.005 0.000 0.879 474 R HN 0.327 nan 8.270 nan 0.000 0.439 475 C N 0.311 119.617 119.300 0.011 0.000 3.104 475 C HA 0.647 5.109 4.460 0.003 0.000 0.284 475 C C 0.576 175.573 174.990 0.013 0.000 1.326 475 C CA -0.349 58.675 59.018 0.012 0.000 1.725 475 C CB -0.765 26.984 27.740 0.014 0.000 2.156 475 C HN 0.735 nan 8.230 nan 0.000 0.638 476 G N 1.758 110.566 108.800 0.013 0.000 2.758 476 G HA2 -0.155 3.806 3.960 0.003 0.000 0.686 476 G HA3 -0.155 3.806 3.960 0.003 0.000 0.686 476 G C 0.729 175.640 174.900 0.019 0.000 1.389 476 G CA 0.078 45.187 45.100 0.014 0.000 0.845 476 G HN 0.800 nan 8.290 nan 0.000 0.572 477 S N -0.437 115.275 115.700 0.020 0.000 2.420 477 S HA -0.008 4.464 4.470 0.003 0.000 0.237 477 S C 2.438 177.052 174.600 0.023 0.000 1.023 477 S CA 1.980 60.194 58.200 0.024 0.000 0.991 477 S CB -0.297 62.917 63.200 0.023 0.000 0.792 477 S HN 2.194 nan 8.310 nan 0.000 0.488 478 G N 0.906 109.717 108.800 0.019 0.000 2.744 478 G HA2 0.321 4.283 3.960 0.003 0.000 0.211 478 G HA3 0.321 4.283 3.960 0.003 0.000 0.211 478 G C 0.562 175.473 174.900 0.018 0.000 1.143 478 G CA 0.044 45.155 45.100 0.017 0.000 0.788 478 G HN 0.640 nan 8.290 nan 0.000 0.534 479 L N 0.929 122.164 121.223 0.020 0.000 3.601 479 L HA -0.141 4.201 4.340 0.003 0.000 0.469 479 L C -0.962 175.918 176.870 0.017 0.000 1.294 479 L CA -0.148 54.704 54.840 0.021 0.000 0.829 479 L CB -1.789 40.285 42.059 0.025 0.000 1.628 479 L HN 0.195 nan 8.230 nan 0.000 0.868 480 D N 1.418 121.826 120.400 0.014 0.000 2.417 480 D HA 0.311 4.953 4.640 0.003 0.000 0.250 480 D C 1.368 177.674 176.300 0.010 0.000 1.166 480 D CA 1.347 55.353 54.000 0.011 0.000 0.881 480 D CB 1.363 42.169 40.800 0.010 0.000 1.164 480 D HN 0.540 nan 8.370 nan 0.000 0.467 481 G N 1.394 110.199 108.800 0.009 0.000 2.199 481 G HA2 -0.276 3.686 3.960 0.003 0.000 0.254 481 G HA3 -0.276 3.686 3.960 0.003 0.000 0.254 481 G C 0.428 175.334 174.900 0.009 0.000 0.982 481 G CA 0.087 45.191 45.100 0.007 0.000 0.632 481 G HN 0.514 nan 8.290 nan 0.000 0.529 482 V N 2.626 122.549 119.914 0.014 0.000 2.614 482 V HA 0.499 4.620 4.120 0.003 0.000 0.291 482 V C 1.481 177.586 176.094 0.018 0.000 1.049 482 V CA 0.125 62.436 62.300 0.019 0.000 1.038 482 V CB 1.342 33.178 31.823 0.023 0.000 0.980 482 V HN 1.055 nan 8.190 nan 0.000 0.481 483 S N 5.204 120.917 115.700 0.022 0.000 2.569 483 S HA 0.109 4.581 4.470 0.003 0.000 0.274 483 S C -1.705 172.904 174.600 0.016 0.000 1.353 483 S CA -0.566 57.646 58.200 0.020 0.000 1.023 483 S CB 0.373 63.590 63.200 0.028 0.000 0.876 483 S HN 0.586 nan 8.310 nan 0.000 0.540 484 P HA -0.021 nan 4.420 nan 0.000 0.217 484 P C 1.607 178.910 177.300 0.006 0.000 1.150 484 P CA 1.836 64.942 63.100 0.009 0.000 0.832 484 P CB -0.240 31.463 31.700 0.005 0.000 0.787 485 A N -0.187 122.634 122.820 0.002 0.000 1.898 485 A HA -0.060 4.262 4.320 0.003 0.000 0.216 485 A C 2.482 180.065 177.584 -0.003 0.000 1.181 485 A CA 2.030 54.062 52.037 -0.009 0.000 0.620 485 A CB -1.870 17.120 19.000 -0.017 0.000 0.819 485 A HN 0.268 nan 8.150 nan 0.000 0.442 486 G N -0.395 108.413 108.800 0.013 0.000 2.418 486 G HA2 -0.214 3.748 3.960 0.003 0.000 0.217 486 G HA3 -0.214 3.748 3.960 0.003 0.000 0.217 486 G C 1.685 176.603 174.900 0.030 0.000 1.158 486 G CA 1.095 46.211 45.100 0.026 0.000 0.771 486 G HN 0.562 nan 8.290 nan 0.000 0.545 487 K N 0.170 120.585 120.400 0.026 0.000 2.057 487 K HA -0.046 4.276 4.320 0.003 0.000 0.207 487 K C 2.439 179.058 176.600 0.031 0.000 1.049 487 K CA 1.287 57.591 56.287 0.028 0.000 0.931 487 K CB -0.130 32.383 32.500 0.022 0.000 0.714 487 K HN 0.248 nan 8.250 nan 0.000 0.440 488 K N 1.363 121.776 120.400 0.022 0.000 2.057 488 K HA -0.136 4.186 4.320 0.003 0.000 0.207 488 K C 2.152 178.775 176.600 0.038 0.000 1.049 488 K CA 0.992 57.293 56.287 0.023 0.000 0.931 488 K CB -0.083 32.421 32.500 0.007 0.000 0.714 488 K HN 0.106 nan 8.250 nan 0.000 0.440 489 L N 0.641 121.885 121.223 0.035 0.000 2.017 489 L HA -0.168 4.174 4.340 0.003 0.000 0.208 489 L C 2.069 179.009 176.870 0.117 0.000 1.073 489 L CA 1.121 56.001 54.840 0.067 0.000 0.745 489 L CB -0.155 41.927 42.059 0.039 0.000 0.894 489 L HN 0.019 nan 8.230 nan 0.000 0.432 490 V N 0.020 119.989 119.914 0.092 0.000 2.343 490 V HA -0.306 3.815 4.120 0.003 0.000 0.247 490 V C 2.486 178.637 176.094 0.094 0.000 1.051 490 V CA 2.046 64.404 62.300 0.096 0.000 1.036 490 V CB -0.656 31.211 31.823 0.072 0.000 0.654 490 V HN 0.558 nan 8.190 nan 0.000 0.451 491 Q N -0.079 119.765 119.800 0.073 0.000 2.124 491 Q HA -0.174 4.168 4.340 0.003 0.000 0.202 491 Q C 2.422 178.464 176.000 0.070 0.000 0.977 491 Q CA 1.742 57.582 55.803 0.061 0.000 0.850 491 Q CB -0.430 28.335 28.738 0.044 0.000 0.901 491 Q HN 0.678 nan 8.270 nan 0.000 0.429 492 A N 1.048 123.920 122.820 0.086 0.000 1.877 492 A HA -0.152 4.169 4.320 0.003 0.000 0.216 492 A C 2.097 179.754 177.584 0.121 0.000 1.186 492 A CA 1.054 53.149 52.037 0.096 0.000 0.620 492 A CB -0.684 18.391 19.000 0.125 0.000 0.822 492 A HN 0.272 nan 8.150 nan 0.000 0.443 493 L N -1.008 120.321 121.223 0.177 0.000 2.017 493 L HA -0.174 4.168 4.340 0.003 0.000 0.208 493 L C 2.685 179.697 176.870 0.236 0.000 1.073 493 L CA 1.093 56.086 54.840 0.254 0.000 0.745 493 L CB -0.454 41.743 42.059 0.230 0.000 0.894 493 L HN 0.271 nan 8.230 nan 0.000 0.432 494 R N 0.459 121.050 120.500 0.151 0.000 2.293 494 R HA -0.139 4.203 4.340 0.003 0.000 0.219 494 R C 1.847 178.173 176.300 0.042 0.000 1.091 494 R CA 0.805 56.969 56.100 0.108 0.000 1.004 494 R CB -0.453 29.897 30.300 0.083 0.000 0.865 494 R HN 0.584 nan 8.270 nan 0.000 0.469 495 E N -0.008 120.203 120.200 0.018 0.000 2.204 495 E HA -0.140 4.212 4.350 0.003 0.000 0.194 495 E C 1.428 177.958 176.600 -0.117 0.000 0.989 495 E CA 0.703 57.081 56.400 -0.035 0.000 0.824 495 E CB 0.209 29.891 29.700 -0.032 0.000 0.756 495 E HN 0.235 nan 8.360 nan 0.000 0.477 496 Q N -0.976 118.700 119.800 -0.206 0.000 2.322 496 Q HA 0.152 4.494 4.340 0.003 0.000 0.250 496 Q C -0.307 175.262 176.000 -0.719 0.000 0.853 496 Q CA 0.320 55.819 55.803 -0.507 0.000 0.951 496 Q CB 0.836 29.125 28.738 -0.748 0.000 1.114 496 Q HN 0.123 nan 8.270 nan 0.000 0.523 497 F N 2.053 121.998 119.950 -0.007 0.000 2.434 497 F HA 0.428 4.957 4.527 0.004 0.000 0.355 497 F C -2.114 173.702 175.800 0.027 0.000 1.115 497 F CA -2.655 55.351 58.000 0.011 0.000 1.010 497 F CB 1.340 40.351 39.000 0.018 0.000 1.234 497 F HN -0.199 nan 8.300 nan 0.000 0.439 498 P HA 0.117 nan 4.420 nan 0.000 0.270 498 P C -2.307 175.069 177.300 0.126 0.000 1.223 498 P CA -0.854 62.306 63.100 0.099 0.000 0.785 498 P CB 0.015 31.749 31.700 0.055 0.000 0.923 499 P HA 0.054 nan 4.420 nan 0.000 0.271 499 P C -0.777 176.575 177.300 0.088 0.000 1.233 499 P CA -0.072 63.093 63.100 0.110 0.000 0.789 499 P CB 0.479 32.228 31.700 0.081 0.000 0.951 500 L N 1.520 122.797 121.223 0.091 0.000 2.314 500 L HA 0.181 4.523 4.340 0.003 0.000 0.275 500 L C 1.175 178.052 176.870 0.012 0.000 1.068 500 L CA 0.381 55.223 54.840 0.004 0.000 0.894 500 L CB -0.397 41.584 42.059 -0.131 0.000 1.275 500 L HN 0.287 nan 8.230 nan 0.000 0.432 501 E N 1.289 121.497 120.200 0.013 0.000 2.318 501 E HA 0.065 4.417 4.350 0.003 0.000 0.193 501 E C 0.161 176.770 176.600 0.016 0.000 0.998 501 E CA 0.338 56.749 56.400 0.018 0.000 0.859 501 E CB 0.441 30.152 29.700 0.019 0.000 0.812 501 E HN 0.553 nan 8.360 nan 0.000 0.492 502 T N 0.494 115.048 114.554 -0.001 0.000 2.942 502 T HA 0.104 4.456 4.350 0.003 0.000 0.327 502 T C -1.773 172.906 174.700 -0.035 0.000 1.360 502 T CA -0.976 61.123 62.100 -0.002 0.000 1.055 502 T CB 1.368 70.237 68.868 0.001 0.000 1.261 502 T HN -0.221 nan 8.240 nan 0.000 0.485 503 D N 2.989 123.364 120.400 -0.043 0.000 2.571 503 D HA 0.316 4.958 4.640 0.003 0.000 0.231 503 D C 0.661 176.920 176.300 -0.069 0.000 1.133 503 D CA 0.770 54.722 54.000 -0.079 0.000 0.862 503 D CB 0.365 41.124 40.800 -0.069 0.000 1.179 503 D HN 0.728 nan 8.370 nan 0.000 0.474 504 R N 0.312 120.759 120.500 -0.089 0.000 2.716 504 R HA 0.630 4.972 4.340 0.003 0.000 0.271 504 R C -3.127 173.137 176.300 -0.061 0.000 1.028 504 R CA -1.669 54.396 56.100 -0.059 0.000 0.883 504 R CB 0.190 30.465 30.300 -0.041 0.000 1.250 504 R HN 0.009 nan 8.270 nan 0.000 0.465 505 P HA 0.165 nan 4.420 nan 0.000 0.271 505 P C -0.313 176.980 177.300 -0.012 0.000 1.226 505 P CA -0.255 62.831 63.100 -0.024 0.000 0.765 505 P CB 0.615 32.308 31.700 -0.012 0.000 0.835 506 L N 1.705 122.922 121.223 -0.010 0.000 2.638 506 L HA 0.168 4.510 4.340 0.003 0.000 0.232 506 L C 2.331 179.217 176.870 0.026 0.000 1.099 506 L CA 0.413 55.262 54.840 0.015 0.000 0.883 506 L CB -0.374 41.694 42.059 0.015 0.000 1.136 506 L HN 0.527 nan 8.230 nan 0.000 0.492 507 G N 0.339 109.149 108.800 0.017 0.000 2.529 507 G HA2 -0.312 3.649 3.960 0.003 0.000 0.219 507 G HA3 -0.312 3.649 3.960 0.003 0.000 0.219 507 G C 1.412 176.327 174.900 0.025 0.000 1.177 507 G CA 0.803 45.913 45.100 0.017 0.000 0.773 507 G HN 0.395 nan 8.290 nan 0.000 0.573 508 Q N -0.159 119.662 119.800 0.035 0.000 2.167 508 Q HA -0.049 4.292 4.340 0.003 0.000 0.202 508 Q C 2.496 178.549 176.000 0.088 0.000 0.970 508 Q CA 1.181 57.013 55.803 0.049 0.000 0.855 508 Q CB -0.081 28.683 28.738 0.044 0.000 0.911 508 Q HN 0.625 nan 8.270 nan 0.000 0.438 509 E N 0.653 120.923 120.200 0.115 0.000 2.072 509 E HA -0.132 4.219 4.350 0.003 0.000 0.191 509 E C 1.962 178.572 176.600 0.018 0.000 0.985 509 E CA 0.708 57.235 56.400 0.212 0.000 0.801 509 E CB 0.007 29.848 29.700 0.235 0.000 0.750 509 E HN 0.332 nan 8.360 nan 0.000 0.452 510 I N 1.110 121.662 120.570 -0.029 0.000 2.179 510 I HA -0.282 3.890 4.170 0.003 0.000 0.242 510 I C 2.543 178.624 176.117 -0.060 0.000 1.088 510 I CA 1.004 62.254 61.300 -0.083 0.000 1.357 510 I CB -0.316 37.663 38.000 -0.035 0.000 1.051 510 I HN 0.096 nan 8.210 nan 0.000 0.409 511 A N 0.717 123.533 122.820 -0.007 0.000 1.902 511 A HA -0.148 4.174 4.320 0.003 0.000 0.217 511 A C 2.542 180.140 177.584 0.023 0.000 1.181 511 A CA 1.841 53.881 52.037 0.005 0.000 0.623 511 A CB -0.822 18.189 19.000 0.019 0.000 0.818 511 A HN 0.433 nan 8.150 nan 0.000 0.443 512 A N -0.640 122.224 122.820 0.073 0.000 1.902 512 A HA -0.017 4.304 4.320 0.003 0.000 0.217 512 A C 2.128 179.801 177.584 0.147 0.000 1.181 512 A CA 1.731 53.847 52.037 0.131 0.000 0.623 512 A CB -0.583 18.548 19.000 0.219 0.000 0.818 512 A HN 0.655 nan 8.150 nan 0.000 0.443 513 L N -0.314 120.951 121.223 0.071 0.000 2.093 513 L HA 0.021 4.363 4.340 0.003 0.000 0.208 513 L C 2.646 179.440 176.870 -0.126 0.000 1.085 513 L CA 1.992 56.786 54.840 -0.076 0.000 0.755 513 L CB -0.802 40.956 42.059 -0.501 0.000 0.904 513 L HN 0.336 nan 8.230 nan 0.000 0.435 514 A N -1.531 121.208 122.820 -0.134 0.000 1.908 514 A HA -0.221 4.100 4.320 0.003 0.000 0.218 514 A C 2.264 179.788 177.584 -0.100 0.000 1.181 514 A CA 2.309 54.255 52.037 -0.152 0.000 0.627 514 A CB -1.216 17.725 19.000 -0.099 0.000 0.818 514 A HN 0.495 nan 8.150 nan 0.000 0.445 515 T N -1.454 113.085 114.554 -0.024 0.000 2.788 515 T HA -0.161 4.191 4.350 0.003 0.000 0.268 515 T C 1.847 176.559 174.700 0.019 0.000 1.044 515 T CA 1.909 64.015 62.100 0.010 0.000 1.139 515 T CB -0.365 68.527 68.868 0.040 0.000 0.867 515 T HN 0.809 nan 8.240 nan 0.000 0.454 516 H N 1.085 120.114 119.070 -0.068 0.000 2.333 516 H HA 0.147 4.705 4.556 0.003 0.000 0.302 516 H C 2.018 177.276 175.328 -0.117 0.000 1.075 516 H CA 1.129 57.142 56.048 -0.057 0.000 1.348 516 H CB -0.497 29.256 29.762 -0.014 0.000 1.393 516 H HN 0.222 nan 8.280 nan 0.000 0.509 517 L N 0.051 121.071 121.223 -0.338 0.000 2.127 517 L HA -0.190 4.152 4.340 0.003 0.000 0.211 517 L C 2.299 179.007 176.870 -0.270 0.000 1.089 517 L CA 1.113 55.610 54.840 -0.571 0.000 0.757 517 L CB -0.558 40.986 42.059 -0.860 0.000 0.899 517 L HN 0.338 nan 8.230 nan 0.000 0.434 518 L N -0.758 120.347 121.223 -0.197 0.000 2.376 518 L HA -0.161 4.181 4.340 0.003 0.000 0.219 518 L C 2.169 178.984 176.870 -0.091 0.000 1.133 518 L CA 0.975 55.761 54.840 -0.088 0.000 0.816 518 L CB -0.197 41.846 42.059 -0.028 0.000 0.933 518 L HN 0.397 nan 8.230 nan 0.000 0.449 519 Q N -1.638 118.022 119.800 -0.234 0.000 2.245 519 Q HA 0.216 4.558 4.340 0.003 0.000 0.236 519 Q C -0.027 175.527 176.000 -0.744 0.000 0.842 519 Q CA 0.027 55.646 55.803 -0.307 0.000 0.945 519 Q CB 1.097 29.786 28.738 -0.081 0.000 1.122 519 Q HN 0.420 nan 8.270 nan 0.000 0.506 520 Q N 0.020 119.364 119.800 -0.760 0.000 2.377 520 Q HA 0.468 4.809 4.340 0.003 0.000 0.279 520 Q C -1.300 174.618 176.000 -0.137 0.000 1.049 520 Q CA -0.389 55.069 55.803 -0.574 0.000 0.825 520 Q CB 2.722 31.233 28.738 -0.378 0.000 1.401 520 Q HN -0.052 nan 8.270 nan 0.000 0.404 521 S N 1.422 117.120 115.700 -0.003 0.000 2.690 521 S HA 0.563 5.035 4.470 0.003 0.000 0.291 521 S C -2.468 171.919 174.600 -0.355 0.000 1.138 521 S CA -1.249 56.863 58.200 -0.147 0.000 1.013 521 S CB 0.924 64.083 63.200 -0.068 0.000 1.053 521 S HN 0.359 nan 8.310 nan 0.000 0.539 522 P HA 0.362 nan 4.420 nan 0.000 0.268 522 P C -1.160 175.951 177.300 -0.316 0.000 1.541 522 P CA 0.042 62.754 63.100 -0.646 0.000 1.093 522 P CB 0.153 31.251 31.700 -1.004 0.000 1.551 523 V N 0.000 119.816 119.914 -0.163 0.000 2.409 523 V HA 0.000 4.122 4.120 0.003 0.000 0.244 523 V CA 0.000 62.240 62.300 -0.100 0.000 1.235 523 V CB 0.000 31.781 31.823 -0.071 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556