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 2o6y_1_E 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 0.000 176.610 176.600 0.017 0.000 0.988 8 K CA 0.000 56.298 56.287 0.018 0.000 0.838 8 K CB 0.000 32.513 32.500 0.021 0.000 1.064 9 P HA 0.168 nan 4.420 nan 0.000 0.267 9 P C -1.152 176.157 177.300 0.014 0.000 1.200 9 P CA -0.370 62.741 63.100 0.018 0.000 0.772 9 P CB 1.123 32.836 31.700 0.022 0.000 0.855 10 A N 2.198 125.025 122.820 0.011 0.000 2.350 10 A HA 0.543 4.863 4.320 -0.000 0.000 0.324 10 A C -0.674 176.914 177.584 0.006 0.000 1.118 10 A CA -0.726 51.315 52.037 0.007 0.000 0.783 10 A CB 1.482 20.484 19.000 0.005 0.000 1.236 10 A HN 0.345 nan 8.150 nan 0.000 0.457 11 V N 2.150 122.064 119.914 0.001 0.000 2.370 11 V HA 0.298 4.418 4.120 -0.000 0.000 0.279 11 V C 0.217 176.309 176.094 -0.004 0.000 1.029 11 V CA -0.346 61.954 62.300 -0.001 0.000 0.870 11 V CB 1.246 33.064 31.823 -0.008 0.000 0.984 11 V HN 0.970 nan 8.190 nan 0.000 0.451 12 E N 4.552 124.753 120.200 0.001 0.000 2.130 12 E HA 0.410 4.760 4.350 -0.000 0.000 0.284 12 E C -1.039 175.561 176.600 -0.000 0.000 1.018 12 E CA -0.745 55.655 56.400 0.001 0.000 0.817 12 E CB 1.324 31.027 29.700 0.005 0.000 1.078 12 E HN 0.558 nan 8.360 nan 0.000 0.396 13 L N 5.424 126.643 121.223 -0.006 0.000 2.264 13 L HA 0.333 4.673 4.340 -0.000 0.000 0.289 13 L C -0.299 176.570 176.870 -0.001 0.000 1.044 13 L CA 0.314 55.149 54.840 -0.009 0.000 0.807 13 L CB 1.307 43.353 42.059 -0.021 0.000 1.192 13 L HN 0.721 nan 8.230 nan 0.000 0.425 14 D N 2.855 123.261 120.400 0.009 0.000 3.061 14 D HA 0.188 4.827 4.640 -0.000 0.000 0.243 14 D C 1.316 177.626 176.300 0.017 0.000 1.572 14 D CA 0.788 54.796 54.000 0.013 0.000 1.269 14 D CB 0.740 41.552 40.800 0.019 0.000 1.023 14 D HN 0.605 nan 8.370 nan 0.000 0.280 15 R N -1.741 118.781 120.500 0.037 0.000 2.276 15 R HA 0.202 4.542 4.340 -0.000 0.000 0.195 15 R C 0.150 176.499 176.300 0.082 0.000 0.908 15 R CA -0.134 55.995 56.100 0.048 0.000 1.083 15 R CB 0.745 31.077 30.300 0.052 0.000 1.182 15 R HN 0.211 nan 8.270 nan 0.000 0.608 16 H N -0.023 119.040 119.070 -0.012 0.000 2.572 16 H HA 0.555 5.111 4.556 -0.000 0.000 0.359 16 H C -1.514 173.808 175.328 -0.011 0.000 1.134 16 H CA -0.684 55.356 56.048 -0.013 0.000 1.187 16 H CB 1.628 31.382 29.762 -0.013 0.000 1.597 16 H HN -0.019 nan 8.280 nan 0.000 0.524 17 I N 4.152 124.401 120.570 -0.534 0.000 2.619 17 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 17 I C -1.199 174.661 176.117 -0.428 0.000 1.100 17 I CA -0.844 60.277 61.300 -0.299 0.000 1.043 17 I CB 1.553 39.450 38.000 -0.171 0.000 1.239 17 I HN 0.847 nan 8.210 nan 0.000 0.420 18 D N 6.008 126.319 120.400 -0.148 0.000 2.423 18 D HA 0.223 4.862 4.640 -0.000 0.000 0.255 18 D C 1.009 177.286 176.300 -0.039 0.000 1.174 18 D CA -0.567 53.399 54.000 -0.056 0.000 1.008 18 D CB 0.951 41.790 40.800 0.066 0.000 1.101 18 D HN 0.499 nan 8.370 nan 0.000 0.516 19 L N -0.427 120.797 121.223 0.001 0.000 2.079 19 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 19 L C 1.500 178.410 176.870 0.067 0.000 1.081 19 L CA 1.416 56.274 54.840 0.030 0.000 0.752 19 L CB -0.474 41.615 42.059 0.050 0.000 0.896 19 L HN 0.441 nan 8.230 nan 0.000 0.433 20 D N -0.245 120.196 120.400 0.069 0.000 2.117 20 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 20 D C 2.336 178.681 176.300 0.075 0.000 0.982 20 D CA 1.059 55.117 54.000 0.097 0.000 0.828 20 D CB -0.114 40.734 40.800 0.081 0.000 0.967 20 D HN 0.401 nan 8.370 nan 0.000 0.464 21 Q N 0.334 120.157 119.800 0.039 0.000 2.084 21 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 21 Q C 2.211 178.209 176.000 -0.002 0.000 0.978 21 Q CA 1.347 57.160 55.803 0.017 0.000 0.844 21 Q CB -0.098 28.640 28.738 -0.001 0.000 0.898 21 Q HN 0.206 nan 8.270 nan 0.000 0.426 22 A N 0.851 123.665 122.820 -0.009 0.000 1.902 22 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 22 A C 1.957 179.520 177.584 -0.035 0.000 1.181 22 A CA 1.585 53.603 52.037 -0.031 0.000 0.623 22 A CB -0.806 18.174 19.000 -0.032 0.000 0.818 22 A HN 0.443 nan 8.150 nan 0.000 0.443 23 H N -0.009 119.009 119.070 -0.087 0.000 2.423 23 H HA 0.021 4.577 4.556 -0.000 0.000 0.297 23 H C 2.251 177.493 175.328 -0.143 0.000 1.075 23 H CA 1.436 57.391 56.048 -0.154 0.000 1.342 23 H CB -0.155 29.422 29.762 -0.309 0.000 1.395 23 H HN 0.407 nan 8.280 nan 0.000 0.530 24 A N 0.493 123.307 122.820 -0.010 0.000 1.908 24 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 24 A C 2.828 180.371 177.584 -0.068 0.000 1.181 24 A CA 1.735 53.767 52.037 -0.008 0.000 0.627 24 A CB -0.865 18.154 19.000 0.033 0.000 0.818 24 A HN 0.294 nan 8.150 nan 0.000 0.445 25 V N -0.384 119.480 119.914 -0.084 0.000 2.323 25 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 25 V C 3.039 179.034 176.094 -0.166 0.000 1.041 25 V CA 1.756 64.000 62.300 -0.095 0.000 1.025 25 V CB -1.180 30.593 31.823 -0.082 0.000 0.656 25 V HN 0.603 nan 8.190 nan 0.000 0.451 26 A N 0.801 123.482 122.820 -0.232 0.000 1.933 26 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 26 A C 2.389 179.744 177.584 -0.382 0.000 1.175 26 A CA 2.143 53.986 52.037 -0.323 0.000 0.628 26 A CB -0.628 18.189 19.000 -0.305 0.000 0.814 26 A HN 0.686 nan 8.150 nan 0.000 0.444 27 S N -1.929 113.568 115.700 -0.339 0.000 2.603 27 S HA 0.369 4.839 4.470 -0.000 0.000 0.220 27 S C 1.391 176.111 174.600 0.199 0.000 0.967 27 S CA 1.019 59.169 58.200 -0.082 0.000 0.920 27 S CB -0.352 62.706 63.200 -0.238 0.000 0.773 27 S HN 1.926 nan 8.310 nan 0.000 0.529 28 G N 0.417 109.261 108.800 0.072 0.000 2.148 28 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 28 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 28 G C 0.844 175.811 174.900 0.112 0.000 0.981 28 G CA 0.154 45.358 45.100 0.174 0.000 0.670 28 G HN 0.962 nan 8.290 nan 0.000 0.528 29 G N -0.486 108.354 108.800 0.065 0.000 2.511 29 G HA2 0.548 4.508 3.960 -0.000 0.000 0.217 29 G HA3 0.548 4.508 3.960 -0.000 0.000 0.217 29 G C 0.670 175.596 174.900 0.042 0.000 1.133 29 G CA 1.728 46.864 45.100 0.060 0.000 0.792 29 G HN 1.822 nan 8.290 nan 0.000 0.539 30 A N -0.457 122.378 122.820 0.025 0.000 2.498 30 A HA 0.788 5.108 4.320 -0.000 0.000 0.298 30 A C -0.222 177.365 177.584 0.005 0.000 1.075 30 A CA -0.835 51.212 52.037 0.016 0.000 0.714 30 A CB 1.519 20.526 19.000 0.012 0.000 1.299 30 A HN 0.206 nan 8.150 nan 0.000 0.407 31 R N 0.055 120.559 120.500 0.006 0.000 2.577 31 R HA 0.619 4.959 4.340 -0.000 0.000 0.269 31 R C -0.685 175.610 176.300 -0.009 0.000 1.084 31 R CA -0.344 55.755 56.100 -0.000 0.000 1.163 31 R CB 1.091 31.393 30.300 0.004 0.000 1.100 31 R HN 0.681 nan 8.270 nan 0.000 0.547 32 I N 0.936 121.497 120.570 -0.016 0.000 2.509 32 I HA 0.381 4.551 4.170 -0.000 0.000 0.293 32 I C -1.345 174.763 176.117 -0.015 0.000 1.020 32 I CA -0.903 60.385 61.300 -0.020 0.000 1.088 32 I CB 1.891 39.872 38.000 -0.032 0.000 1.267 32 I HN 0.273 nan 8.210 nan 0.000 0.430 33 V N 8.171 128.078 119.914 -0.012 0.000 2.656 33 V HA 0.500 4.620 4.120 -0.000 0.000 0.307 33 V C -1.383 174.705 176.094 -0.010 0.000 1.051 33 V CA -0.682 61.612 62.300 -0.010 0.000 0.893 33 V CB 2.050 33.870 31.823 -0.005 0.000 0.999 33 V HN 0.640 nan 8.190 nan 0.000 0.426 34 L N 6.928 128.145 121.223 -0.011 0.000 2.260 34 L HA 0.792 5.131 4.340 -0.000 0.000 0.289 34 L C 0.684 177.550 176.870 -0.007 0.000 1.057 34 L CA 0.434 55.268 54.840 -0.011 0.000 0.811 34 L CB 0.793 42.844 42.059 -0.013 0.000 1.184 34 L HN 0.907 nan 8.230 nan 0.000 0.429 35 A N 6.866 129.684 122.820 -0.004 0.000 2.466 35 A HA 0.343 4.663 4.320 -0.000 0.000 0.238 35 A C -1.570 176.013 177.584 -0.002 0.000 1.074 35 A CA -0.649 51.387 52.037 -0.001 0.000 0.774 35 A CB -0.388 18.614 19.000 0.003 0.000 1.015 35 A HN 0.786 nan 8.150 nan 0.000 0.498 36 P HA -0.139 nan 4.420 nan 0.000 0.216 36 P C -1.455 175.844 177.300 -0.001 0.000 1.153 36 P CA 1.802 64.901 63.100 -0.002 0.000 0.858 36 P CB -0.754 30.945 31.700 -0.001 0.000 0.789 37 P HA -0.158 nan 4.420 nan 0.000 0.216 37 P C 1.399 178.701 177.300 0.002 0.000 1.150 37 P CA 1.983 65.084 63.100 0.002 0.000 0.837 37 P CB -0.597 31.105 31.700 0.004 0.000 0.786 38 A N -0.218 122.603 122.820 0.001 0.000 1.897 38 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 38 A C 2.242 179.824 177.584 -0.004 0.000 1.181 38 A CA 1.266 53.303 52.037 -0.000 0.000 0.620 38 A CB -0.980 18.018 19.000 -0.002 0.000 0.821 38 A HN 0.041 nan 8.150 nan 0.000 0.443 39 R N -0.214 120.282 120.500 -0.006 0.000 2.096 39 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 39 R C 1.489 177.783 176.300 -0.009 0.000 1.127 39 R CA 1.444 57.538 56.100 -0.010 0.000 0.968 39 R CB -0.329 29.964 30.300 -0.011 0.000 0.861 39 R HN 0.484 nan 8.270 nan 0.000 0.440 40 D N 0.188 120.585 120.400 -0.006 0.000 2.097 40 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 40 D C 1.965 178.264 176.300 -0.003 0.000 0.984 40 D CA 1.118 55.115 54.000 -0.004 0.000 0.826 40 D CB -0.114 40.685 40.800 -0.002 0.000 0.973 40 D HN 0.177 nan 8.370 nan 0.000 0.460 41 R N 0.050 120.550 120.500 -0.000 0.000 2.096 41 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 41 R C 2.499 178.801 176.300 0.003 0.000 1.127 41 R CA 0.942 57.044 56.100 0.004 0.000 0.968 41 R CB -0.492 29.813 30.300 0.008 0.000 0.861 41 R HN 0.224 nan 8.270 nan 0.000 0.440 42 C N -0.098 119.201 119.300 -0.003 0.000 2.440 42 C HA -0.003 4.457 4.460 -0.000 0.000 0.278 42 C C 2.573 177.552 174.990 -0.018 0.000 1.295 42 C CA 0.404 59.417 59.018 -0.008 0.000 1.738 42 C CB -0.770 26.962 27.740 -0.013 0.000 1.987 42 C HN 0.446 nan 8.230 nan 0.000 0.492 43 R N 0.848 121.337 120.500 -0.019 0.000 2.092 43 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 43 R C 2.370 178.657 176.300 -0.021 0.000 1.119 43 R CA 1.498 57.583 56.100 -0.025 0.000 0.970 43 R CB -0.384 29.905 30.300 -0.019 0.000 0.864 43 R HN 0.546 nan 8.270 nan 0.000 0.440 44 A N -0.007 122.806 122.820 -0.012 0.000 1.933 44 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 44 A C 2.138 179.714 177.584 -0.014 0.000 1.175 44 A CA 1.797 53.829 52.037 -0.009 0.000 0.628 44 A CB -0.519 18.481 19.000 0.000 0.000 0.814 44 A HN 0.297 nan 8.150 nan 0.000 0.444 45 S N -0.851 114.843 115.700 -0.009 0.000 2.383 45 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 45 S C 2.003 176.562 174.600 -0.069 0.000 1.026 45 S CA 1.489 59.682 58.200 -0.011 0.000 0.981 45 S CB -0.318 62.898 63.200 0.027 0.000 0.818 45 S HN 0.672 nan 8.310 nan 0.000 0.472 46 E N 0.356 120.520 120.200 -0.060 0.000 2.085 46 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 46 E C 2.067 178.619 176.600 -0.080 0.000 0.994 46 E CA 1.060 57.413 56.400 -0.079 0.000 0.801 46 E CB -0.336 29.324 29.700 -0.067 0.000 0.743 46 E HN 0.607 nan 8.360 nan 0.000 0.453 47 A N 1.227 124.013 122.820 -0.057 0.000 1.898 47 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 47 A C 2.142 179.683 177.584 -0.071 0.000 1.181 47 A CA 1.256 53.265 52.037 -0.046 0.000 0.620 47 A CB -0.390 18.594 19.000 -0.027 0.000 0.819 47 A HN 0.165 nan 8.150 nan 0.000 0.442 48 R N -1.169 119.277 120.500 -0.089 0.000 2.096 48 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 48 R C 2.103 178.261 176.300 -0.236 0.000 1.127 48 R CA 1.402 57.435 56.100 -0.110 0.000 0.968 48 R CB -0.564 29.698 30.300 -0.063 0.000 0.861 48 R HN 0.504 nan 8.270 nan 0.000 0.440 49 L N 0.539 121.536 121.223 -0.376 0.000 2.046 49 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 49 L C 2.112 178.836 176.870 -0.243 0.000 1.077 49 L CA 2.066 56.588 54.840 -0.530 0.000 0.747 49 L CB -0.966 40.785 42.059 -0.514 0.000 0.896 49 L HN 0.151 nan 8.230 nan 0.000 0.432 50 G N -0.967 107.749 108.800 -0.140 0.000 2.440 50 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 50 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 50 G C 1.585 176.452 174.900 -0.056 0.000 1.154 50 G CA 0.833 45.893 45.100 -0.068 0.000 0.767 50 G HN 0.646 nan 8.290 nan 0.000 0.552 51 A N 0.027 122.811 122.820 -0.060 0.000 1.930 51 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 51 A C 2.585 180.158 177.584 -0.020 0.000 1.175 51 A CA 1.650 53.669 52.037 -0.031 0.000 0.627 51 A CB -0.542 18.445 19.000 -0.022 0.000 0.815 51 A HN 0.243 nan 8.150 nan 0.000 0.443 52 V N 0.236 120.126 119.914 -0.041 0.000 2.343 52 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 52 V C 2.394 178.501 176.094 0.022 0.000 1.051 52 V CA 2.042 64.347 62.300 0.009 0.000 1.036 52 V CB -0.606 31.222 31.823 0.008 0.000 0.654 52 V HN 0.573 nan 8.190 nan 0.000 0.451 53 I N -0.552 120.012 120.570 -0.010 0.000 2.286 53 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 53 I C 2.723 178.843 176.117 0.005 0.000 1.104 53 I CA 1.452 62.755 61.300 0.005 0.000 1.397 53 I CB -0.417 37.576 38.000 -0.011 0.000 1.072 53 I HN 0.198 nan 8.210 nan 0.000 0.417 54 R N 1.386 121.883 120.500 -0.004 0.000 2.091 54 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 54 R C 1.713 178.017 176.300 0.007 0.000 1.136 54 R CA 1.681 57.780 56.100 -0.002 0.000 0.959 54 R CB -0.053 30.243 30.300 -0.006 0.000 0.856 54 R HN 0.409 nan 8.270 nan 0.000 0.437 55 E N -0.500 119.709 120.200 0.015 0.000 2.502 55 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 55 E C 0.313 176.931 176.600 0.031 0.000 1.062 55 E CA 0.390 56.804 56.400 0.023 0.000 0.867 55 E CB 0.430 30.148 29.700 0.030 0.000 0.888 55 E HN 0.460 nan 8.360 nan 0.000 0.510 56 A N 2.006 124.845 122.820 0.032 0.000 2.822 56 A HA -0.232 4.088 4.320 -0.000 0.000 0.287 56 A C 0.084 177.705 177.584 0.062 0.000 1.479 56 A CA 0.562 52.620 52.037 0.036 0.000 0.779 56 A CB -1.340 17.671 19.000 0.018 0.000 1.022 56 A HN 0.144 nan 8.150 nan 0.000 0.532 57 R N 0.099 120.652 120.500 0.089 0.000 2.643 57 R HA 0.114 4.454 4.340 -0.000 0.000 0.270 57 R C 0.520 176.934 176.300 0.189 0.000 1.061 57 R CA -0.092 56.087 56.100 0.132 0.000 1.107 57 R CB 0.099 30.487 30.300 0.147 0.000 0.999 57 R HN 0.718 nan 8.270 nan 0.000 0.460 58 H N 1.726 120.837 119.070 0.069 0.000 3.160 58 H HA 0.222 4.778 4.556 -0.000 0.000 0.257 58 H C -0.908 174.490 175.328 0.116 0.000 1.140 58 H CA -0.385 55.694 56.048 0.053 0.000 1.492 58 H CB 0.215 29.983 29.762 0.009 0.000 1.529 58 H HN 0.049 nan 8.280 nan 0.000 0.490 59 V N 6.328 126.441 119.914 0.331 0.000 2.686 59 V HA 0.000 4.120 4.120 -0.000 0.000 0.306 59 V C -0.775 175.546 176.094 0.378 0.000 1.065 59 V CA -1.007 61.525 62.300 0.387 0.000 0.894 59 V CB 1.383 33.426 31.823 0.366 0.000 1.004 59 V HN 0.656 nan 8.190 nan 0.000 0.424 60 Y N 3.681 124.228 120.300 0.413 0.000 2.805 60 Y HA 0.360 4.910 4.550 -0.000 0.000 0.331 60 Y C 1.365 177.346 175.900 0.135 0.000 1.241 60 Y CA 1.909 60.131 58.100 0.204 0.000 1.546 60 Y CB 0.522 39.152 38.460 0.283 0.000 1.248 60 Y HN 1.066 nan 8.280 nan 0.000 0.559 61 G N 4.098 112.609 108.800 -0.483 0.000 2.205 61 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.261 61 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.261 61 G C 0.582 175.454 174.900 -0.047 0.000 0.980 61 G CA 0.569 45.495 45.100 -0.290 0.000 0.632 61 G HN 0.669 nan 8.290 nan 0.000 0.533 62 L N -0.324 120.901 121.223 0.003 0.000 2.547 62 L HA 0.281 4.621 4.340 -0.000 0.000 0.218 62 L C 2.173 179.048 176.870 0.008 0.000 1.048 62 L CA 1.533 56.404 54.840 0.051 0.000 0.859 62 L CB 0.412 42.549 42.059 0.130 0.000 1.128 62 L HN 0.421 nan 8.230 nan 0.000 0.483 63 T N -3.797 110.760 114.554 0.006 0.000 3.275 63 T HA 0.201 4.551 4.350 -0.000 0.000 0.298 63 T C 0.235 174.898 174.700 -0.062 0.000 0.988 63 T CA 0.046 62.138 62.100 -0.014 0.000 0.936 63 T CB 0.046 68.934 68.868 0.034 0.000 1.159 63 T HN 0.205 nan 8.240 nan 0.000 0.519 64 T N -1.953 112.508 114.554 -0.155 0.000 2.864 64 T HA 0.768 5.118 4.350 -0.000 0.000 0.299 64 T C 0.515 174.913 174.700 -0.503 0.000 1.166 64 T CA -0.298 61.671 62.100 -0.217 0.000 1.007 64 T CB 1.438 70.256 68.868 -0.083 0.000 1.219 64 T HN 0.279 nan 8.240 nan 0.000 0.506 65 G N -0.091 108.464 108.800 -0.408 0.000 2.553 65 G HA2 0.566 4.526 3.960 -0.000 0.000 0.278 65 G HA3 0.566 4.526 3.960 -0.000 0.000 0.278 65 G C -1.057 173.376 174.900 -0.779 0.000 1.349 65 G CA -0.787 44.004 45.100 -0.515 0.000 1.037 65 G HN 0.561 nan 8.290 nan 0.000 0.508 66 F N -0.954 118.933 119.950 -0.105 0.000 2.523 66 F HA 0.606 5.133 4.527 0.000 0.000 0.329 66 F C 1.171 177.049 175.800 0.129 0.000 1.061 66 F CA 0.418 58.398 58.000 -0.033 0.000 0.967 66 F CB 1.433 40.452 39.000 0.032 0.000 1.218 66 F HN 1.023 nan 8.300 nan 0.000 0.480 67 G N 1.822 110.917 108.800 0.493 0.000 2.596 67 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.295 67 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.295 67 G C -1.892 173.123 174.900 0.191 0.000 1.240 67 G CA -0.044 45.219 45.100 0.270 0.000 0.985 67 G HN 0.517 nan 8.290 nan 0.000 0.555 68 P HA 0.116 nan 4.420 nan 0.000 0.226 68 P C 1.792 179.128 177.300 0.061 0.000 1.153 68 P CA 0.823 63.968 63.100 0.075 0.000 0.777 68 P CB -0.073 31.656 31.700 0.048 0.000 0.794 69 L N -1.479 119.778 121.223 0.058 0.000 2.599 69 L HA 0.109 4.449 4.340 -0.000 0.000 0.230 69 L C 2.027 178.895 176.870 -0.004 0.000 1.141 69 L CA 0.160 55.011 54.840 0.018 0.000 0.877 69 L CB -0.725 41.335 42.059 0.002 0.000 1.009 69 L HN -0.034 nan 8.230 nan 0.000 0.447 70 A N 1.267 124.115 122.820 0.048 0.000 2.172 70 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 70 A C 1.968 179.579 177.584 0.045 0.000 1.154 70 A CA 1.328 53.393 52.037 0.047 0.000 0.701 70 A CB -0.505 18.630 19.000 0.224 0.000 0.789 70 A HN 0.648 nan 8.150 nan 0.000 0.465 71 N N -0.489 118.231 118.700 0.034 0.000 2.515 71 N HA -0.040 4.700 4.740 -0.000 0.000 0.185 71 N C 0.035 175.536 175.510 -0.014 0.000 1.109 71 N CA 0.264 53.328 53.050 0.022 0.000 0.903 71 N CB -0.214 38.285 38.487 0.021 0.000 0.969 71 N HN 0.179 nan 8.380 nan 0.000 0.450 72 R N 0.981 121.462 120.500 -0.032 0.000 2.196 72 R HA 0.389 4.729 4.340 -0.000 0.000 0.340 72 R C -0.241 176.012 176.300 -0.079 0.000 1.043 72 R CA -0.273 55.796 56.100 -0.052 0.000 0.883 72 R CB 0.752 31.021 30.300 -0.052 0.000 1.078 72 R HN 0.153 nan 8.270 nan 0.000 0.462 73 L N 4.286 125.456 121.223 -0.088 0.000 2.371 73 L HA 0.388 4.728 4.340 -0.000 0.000 0.272 73 L C 0.067 176.881 176.870 -0.093 0.000 1.124 73 L CA -0.487 54.285 54.840 -0.114 0.000 0.816 73 L CB 0.660 42.626 42.059 -0.155 0.000 1.129 73 L HN 0.353 nan 8.230 nan 0.000 0.448 74 I N 1.562 122.077 120.570 -0.093 0.000 2.441 74 I HA 0.228 4.398 4.170 -0.000 0.000 0.295 74 I C 0.426 176.511 176.117 -0.054 0.000 0.994 74 I CA -0.237 61.020 61.300 -0.073 0.000 1.144 74 I CB 1.657 39.605 38.000 -0.086 0.000 1.314 74 I HN 0.528 nan 8.210 nan 0.000 0.445 75 S N 3.068 118.743 115.700 -0.041 0.000 2.576 75 S HA 0.329 4.799 4.470 -0.000 0.000 0.276 75 S C 1.459 176.046 174.600 -0.023 0.000 1.339 75 S CA 0.166 58.348 58.200 -0.030 0.000 1.039 75 S CB 1.199 64.384 63.200 -0.025 0.000 0.902 75 S HN 0.876 nan 8.310 nan 0.000 0.516 76 G N 2.693 111.482 108.800 -0.017 0.000 2.469 76 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 76 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 76 G C 1.299 176.192 174.900 -0.012 0.000 1.136 76 G CA 1.044 46.137 45.100 -0.012 0.000 0.759 76 G HN 0.902 nan 8.290 nan 0.000 0.562 77 E N 0.953 121.146 120.200 -0.012 0.000 2.338 77 E HA -0.100 4.250 4.350 -0.000 0.000 0.197 77 E C 1.018 177.613 176.600 -0.009 0.000 1.007 77 E CA 0.763 57.157 56.400 -0.011 0.000 0.849 77 E CB -0.368 29.326 29.700 -0.010 0.000 0.774 77 E HN 0.378 nan 8.360 nan 0.000 0.506 78 N N 0.852 119.546 118.700 -0.009 0.000 2.235 78 N HA 0.056 4.796 4.740 -0.000 0.000 0.209 78 N C 1.486 176.996 175.510 -0.000 0.000 1.122 78 N CA 0.128 53.175 53.050 -0.005 0.000 0.845 78 N CB 0.894 39.377 38.487 -0.007 0.000 1.004 78 N HN 0.033 nan 8.380 nan 0.000 0.499 79 V N 1.053 120.966 119.914 -0.002 0.000 2.407 79 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 79 V C 2.365 178.470 176.094 0.017 0.000 1.055 79 V CA 1.340 63.645 62.300 0.008 0.000 1.049 79 V CB -0.204 31.623 31.823 0.008 0.000 0.662 79 V HN 0.216 nan 8.190 nan 0.000 0.455 80 R N 0.283 120.787 120.500 0.007 0.000 2.083 80 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 80 R C 2.358 178.660 176.300 0.004 0.000 1.137 80 R CA 1.937 58.039 56.100 0.003 0.000 0.951 80 R CB -1.499 28.798 30.300 -0.004 0.000 0.851 80 R HN 0.509 nan 8.270 nan 0.000 0.434 81 T N 2.278 116.840 114.554 0.012 0.000 2.777 81 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 81 T C 1.883 176.606 174.700 0.039 0.000 1.040 81 T CA 0.965 63.078 62.100 0.021 0.000 1.141 81 T CB -0.274 68.610 68.868 0.027 0.000 0.868 81 T HN 0.072 nan 8.240 nan 0.000 0.444 82 L N 1.392 122.646 121.223 0.052 0.000 1.989 82 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 82 L C 2.384 179.364 176.870 0.183 0.000 1.071 82 L CA 1.858 56.764 54.840 0.110 0.000 0.749 82 L CB -0.615 41.478 42.059 0.055 0.000 0.890 82 L HN 0.253 nan 8.230 nan 0.000 0.431 83 Q N -1.021 118.845 119.800 0.110 0.000 2.245 83 Q HA -0.032 4.308 4.340 -0.000 0.000 0.201 83 Q C 2.182 178.136 176.000 -0.077 0.000 0.955 83 Q CA 1.002 56.843 55.803 0.064 0.000 0.870 83 Q CB -0.211 28.559 28.738 0.053 0.000 0.945 83 Q HN 0.698 nan 8.270 nan 0.000 0.461 84 A N 1.738 124.497 122.820 -0.102 0.000 1.897 84 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 84 A C 1.742 179.052 177.584 -0.456 0.000 1.181 84 A CA 1.248 53.123 52.037 -0.271 0.000 0.620 84 A CB -0.271 18.618 19.000 -0.185 0.000 0.821 84 A HN 0.244 nan 8.150 nan 0.000 0.443 85 N N -0.226 118.376 118.700 -0.164 0.000 2.396 85 N HA -0.077 4.663 4.740 -0.000 0.000 0.180 85 N C 1.495 177.002 175.510 -0.006 0.000 1.028 85 N CA 1.023 54.065 53.050 -0.012 0.000 0.893 85 N CB -0.401 38.172 38.487 0.142 0.000 0.967 85 N HN 0.459 nan 8.380 nan 0.000 0.440 86 L N 0.733 121.880 121.223 -0.128 0.000 1.994 86 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 86 L C 1.909 178.437 176.870 -0.570 0.000 1.071 86 L CA 1.464 56.035 54.840 -0.449 0.000 0.745 86 L CB -0.723 40.926 42.059 -0.682 0.000 0.892 86 L HN -0.122 nan 8.230 nan 0.000 0.431 87 V N -0.162 119.507 119.914 -0.409 0.000 2.343 87 V HA -0.350 3.770 4.120 -0.000 0.000 0.247 87 V C 2.410 178.348 176.094 -0.260 0.000 1.051 87 V CA 2.264 64.353 62.300 -0.352 0.000 1.036 87 V CB -1.047 30.600 31.823 -0.293 0.000 0.654 87 V HN 0.630 nan 8.190 nan 0.000 0.451 88 H N -0.362 118.593 119.070 -0.192 0.000 2.293 88 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 88 H C 2.358 177.619 175.328 -0.111 0.000 1.082 88 H CA 1.731 57.704 56.048 -0.126 0.000 1.308 88 H CB -0.243 29.494 29.762 -0.042 0.000 1.375 88 H HN 0.676 nan 8.280 nan 0.000 0.495 89 H N 0.533 119.624 119.070 0.035 0.000 2.491 89 H HA -0.045 4.510 4.556 -0.000 0.000 0.290 89 H C 1.821 177.117 175.328 -0.053 0.000 1.050 89 H CA 0.831 56.873 56.048 -0.010 0.000 1.309 89 H CB -0.187 29.571 29.762 -0.007 0.000 1.392 89 H HN 0.334 nan 8.280 nan 0.000 0.554 90 L N 0.899 121.839 121.223 -0.471 0.000 2.418 90 L HA 0.158 4.498 4.340 -0.000 0.000 0.218 90 L C 1.856 178.589 176.870 -0.228 0.000 1.125 90 L CA 0.337 54.969 54.840 -0.346 0.000 0.835 90 L CB 0.000 41.776 42.059 -0.473 0.000 0.953 90 L HN 0.260 nan 8.230 nan 0.000 0.454 91 A N 0.110 122.756 122.820 -0.291 0.000 3.074 91 A HA 0.166 4.486 4.320 -0.000 0.000 0.251 91 A C 1.185 178.707 177.584 -0.104 0.000 1.695 91 A CA 0.239 51.963 52.037 -0.521 0.000 1.343 91 A CB -0.647 17.996 19.000 -0.595 0.000 1.078 91 A HN 0.349 nan 8.150 nan 0.000 0.644 92 S N -0.520 115.224 115.700 0.073 0.000 2.601 92 S HA 0.383 4.853 4.470 -0.000 0.000 0.244 92 S C 0.855 175.559 174.600 0.173 0.000 1.001 92 S CA 0.075 58.349 58.200 0.123 0.000 0.984 92 S CB 0.061 63.303 63.200 0.071 0.000 0.842 92 S HN 0.751 nan 8.310 nan 0.000 0.474 93 G N 1.469 110.486 108.800 0.361 0.000 2.544 93 G HA2 0.512 4.472 3.960 -0.000 0.000 0.242 93 G HA3 0.512 4.472 3.960 -0.000 0.000 0.242 93 G C -0.139 174.743 174.900 -0.030 0.000 1.247 93 G CA 0.083 45.245 45.100 0.102 0.000 0.840 93 G HN 1.044 nan 8.290 nan 0.000 0.578 94 V N -1.168 118.717 119.914 -0.049 0.000 3.182 94 V HA 1.031 5.151 4.120 -0.000 0.000 0.308 94 V C 0.564 176.625 176.094 -0.056 0.000 1.240 94 V CA -0.106 62.164 62.300 -0.050 0.000 1.063 94 V CB 1.084 32.897 31.823 -0.015 0.000 1.076 94 V HN 2.557 nan 8.190 nan 0.000 0.446 95 G N 0.440 109.215 108.800 -0.043 0.000 2.712 95 G HA2 0.068 4.028 3.960 -0.000 0.000 0.683 95 G HA3 0.068 4.028 3.960 -0.000 0.000 0.683 95 G C -2.743 172.133 174.900 -0.040 0.000 1.320 95 G CA -0.302 44.778 45.100 -0.033 0.000 0.847 95 G HN 1.131 nan 8.290 nan 0.000 0.553 96 P HA 0.395 nan 4.420 nan 0.000 0.267 96 P C 0.867 178.150 177.300 -0.028 0.000 1.200 96 P CA 0.473 63.562 63.100 -0.019 0.000 0.772 96 P CB 0.774 32.472 31.700 -0.004 0.000 0.855 97 V N 1.503 121.401 119.914 -0.027 0.000 2.924 97 V HA 0.153 4.273 4.120 -0.000 0.000 0.305 97 V C 0.674 176.763 176.094 -0.008 0.000 1.073 97 V CA -0.666 61.614 62.300 -0.034 0.000 1.098 97 V CB -0.482 31.324 31.823 -0.027 0.000 1.000 97 V HN 0.302 nan 8.190 nan 0.000 0.484 98 L N 2.759 123.973 121.223 -0.014 0.000 2.461 98 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 98 L C 0.668 177.559 176.870 0.035 0.000 1.197 98 L CA -0.201 54.643 54.840 0.006 0.000 0.836 98 L CB 0.169 42.222 42.059 -0.010 0.000 1.105 98 L HN 1.029 nan 8.230 nan 0.000 0.477 99 D N 0.096 120.533 120.400 0.061 0.000 2.361 99 D HA -0.128 4.512 4.640 -0.000 0.000 0.239 99 D C 0.705 177.096 176.300 0.152 0.000 1.200 99 D CA -0.398 53.670 54.000 0.114 0.000 0.915 99 D CB 0.496 41.369 40.800 0.122 0.000 1.170 99 D HN 0.548 nan 8.370 nan 0.000 0.444 100 W N 1.057 122.361 121.300 0.006 0.000 2.302 100 W HA -0.287 4.373 4.660 -0.000 0.000 0.320 100 W C 2.183 178.697 176.519 -0.009 0.000 1.241 100 W CA 2.712 60.060 57.345 0.005 0.000 1.264 100 W CB -0.782 28.683 29.460 0.009 0.000 1.154 100 W HN 0.439 nan 8.180 nan 0.000 0.483 101 T N -0.334 114.344 114.554 0.207 0.000 2.746 101 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 101 T C 1.570 176.193 174.700 -0.127 0.000 1.039 101 T CA 2.267 64.339 62.100 -0.046 0.000 1.142 101 T CB -0.890 68.039 68.868 0.102 0.000 0.866 101 T HN 0.176 nan 8.240 nan 0.000 0.444 102 T N 1.970 116.508 114.554 -0.026 0.000 2.777 102 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 102 T C 2.425 177.081 174.700 -0.074 0.000 1.040 102 T CA 1.091 63.174 62.100 -0.028 0.000 1.141 102 T CB -0.514 68.366 68.868 0.020 0.000 0.868 102 T HN 0.428 nan 8.240 nan 0.000 0.444 103 A N 1.729 124.494 122.820 -0.092 0.000 1.933 103 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 103 A C 2.371 179.853 177.584 -0.169 0.000 1.175 103 A CA 1.354 53.324 52.037 -0.112 0.000 0.628 103 A CB -0.449 18.491 19.000 -0.101 0.000 0.814 103 A HN 0.400 nan 8.150 nan 0.000 0.444 104 R N -0.579 119.753 120.500 -0.280 0.000 2.115 104 R HA 0.011 4.351 4.340 -0.000 0.000 0.230 104 R C 2.403 178.572 176.300 -0.219 0.000 1.111 104 R CA 1.017 56.925 56.100 -0.319 0.000 0.976 104 R CB -0.393 29.568 30.300 -0.566 0.000 0.870 104 R HN 0.504 nan 8.270 nan 0.000 0.445 105 A N 1.142 123.850 122.820 -0.186 0.000 1.933 105 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 105 A C 2.110 179.641 177.584 -0.089 0.000 1.175 105 A CA 1.304 53.266 52.037 -0.125 0.000 0.628 105 A CB -0.435 18.515 19.000 -0.084 0.000 0.814 105 A HN 0.332 nan 8.150 nan 0.000 0.444 106 M N -0.278 119.273 119.600 -0.082 0.000 2.099 106 M HA -0.113 4.367 4.480 -0.000 0.000 0.262 106 M C 1.866 178.128 176.300 -0.064 0.000 1.067 106 M CA 1.961 57.225 55.300 -0.060 0.000 1.124 106 M CB -0.230 32.339 32.600 -0.052 0.000 1.353 106 M HN 0.183 nan 8.290 nan 0.000 0.410 107 V N 1.138 121.004 119.914 -0.081 0.000 2.332 107 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 107 V C 2.436 178.489 176.094 -0.068 0.000 1.055 107 V CA 1.765 64.021 62.300 -0.072 0.000 1.038 107 V CB -0.994 30.779 31.823 -0.084 0.000 0.651 107 V HN 0.589 nan 8.190 nan 0.000 0.450 108 L N 0.969 122.141 121.223 -0.084 0.000 2.046 108 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 108 L C 2.459 179.292 176.870 -0.062 0.000 1.077 108 L CA 2.372 57.166 54.840 -0.077 0.000 0.747 108 L CB -1.022 40.981 42.059 -0.093 0.000 0.896 108 L HN 0.219 nan 8.230 nan 0.000 0.432 109 A N -0.431 122.354 122.820 -0.059 0.000 1.908 109 A HA -0.276 4.043 4.320 -0.000 0.000 0.218 109 A C 2.469 180.030 177.584 -0.039 0.000 1.181 109 A CA 1.927 53.935 52.037 -0.049 0.000 0.627 109 A CB -0.623 18.351 19.000 -0.042 0.000 0.818 109 A HN 0.491 nan 8.150 nan 0.000 0.445 110 R N -0.683 119.796 120.500 -0.035 0.000 2.075 110 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 110 R C 1.945 178.231 176.300 -0.023 0.000 1.126 110 R CA 1.540 57.625 56.100 -0.024 0.000 0.963 110 R CB -0.671 29.615 30.300 -0.023 0.000 0.858 110 R HN 0.439 nan 8.270 nan 0.000 0.435 111 L N -0.093 121.111 121.223 -0.031 0.000 2.046 111 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 111 L C 1.895 178.748 176.870 -0.029 0.000 1.077 111 L CA 1.614 56.436 54.840 -0.029 0.000 0.747 111 L CB -0.447 41.590 42.059 -0.036 0.000 0.896 111 L HN 0.073 nan 8.230 nan 0.000 0.432 112 V N -1.087 118.804 119.914 -0.038 0.000 2.407 112 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 112 V C 2.755 178.831 176.094 -0.029 0.000 1.055 112 V CA 1.766 64.042 62.300 -0.041 0.000 1.049 112 V CB -0.808 30.979 31.823 -0.061 0.000 0.662 112 V HN 0.643 nan 8.190 nan 0.000 0.455 113 S N -0.225 115.461 115.700 -0.025 0.000 2.356 113 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 113 S C 1.944 176.542 174.600 -0.003 0.000 1.032 113 S CA 1.755 59.946 58.200 -0.015 0.000 1.005 113 S CB -0.360 62.834 63.200 -0.011 0.000 0.867 113 S HN 0.514 nan 8.310 nan 0.000 0.449 114 I N 1.775 122.344 120.570 -0.001 0.000 2.264 114 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 114 I C 2.706 178.827 176.117 0.005 0.000 1.111 114 I CA 1.100 62.406 61.300 0.008 0.000 1.382 114 I CB -0.497 37.505 38.000 0.003 0.000 1.060 114 I HN 0.388 nan 8.210 nan 0.000 0.418 115 A N 0.066 122.884 122.820 -0.004 0.000 2.131 115 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 115 A C 2.114 179.699 177.584 0.003 0.000 1.158 115 A CA 1.253 53.287 52.037 -0.004 0.000 0.665 115 A CB -0.346 18.647 19.000 -0.011 0.000 0.795 115 A HN 0.420 nan 8.150 nan 0.000 0.460 116 Q N -1.236 118.567 119.800 0.005 0.000 2.369 116 Q HA 0.073 4.413 4.340 -0.000 0.000 0.206 116 Q C 1.256 177.266 176.000 0.016 0.000 0.963 116 Q CA 0.852 56.660 55.803 0.009 0.000 0.894 116 Q CB -0.569 28.172 28.738 0.005 0.000 0.965 116 Q HN 1.097 nan 8.270 nan 0.000 0.475 117 G N 0.322 109.135 108.800 0.022 0.000 2.204 117 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.244 117 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.244 117 G C 0.438 175.372 174.900 0.056 0.000 1.062 117 G CA 0.397 45.515 45.100 0.031 0.000 0.798 117 G HN 0.532 nan 8.290 nan 0.000 0.496 118 A N -1.032 121.832 122.820 0.074 0.000 2.628 118 A HA 0.715 5.035 4.320 -0.000 0.000 0.267 118 A C 1.670 179.374 177.584 0.200 0.000 1.159 118 A CA 1.389 53.496 52.037 0.117 0.000 0.972 118 A CB 0.251 19.282 19.000 0.051 0.000 1.211 118 A HN 0.794 nan 8.150 nan 0.000 0.576 119 S N -1.041 114.768 115.700 0.182 0.000 2.502 119 S HA 0.359 4.829 4.470 -0.000 0.000 0.215 119 S C 1.567 176.337 174.600 0.283 0.000 1.009 119 S CA 0.739 59.076 58.200 0.228 0.000 0.908 119 S CB 0.378 63.645 63.200 0.113 0.000 0.801 119 S HN 1.671 nan 8.310 nan 0.000 0.505 120 G N 1.855 110.745 108.800 0.151 0.000 2.162 120 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 120 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 120 G C 0.241 175.128 174.900 -0.022 0.000 0.976 120 G CA 0.029 45.116 45.100 -0.021 0.000 0.655 120 G HN 0.904 nan 8.290 nan 0.000 0.533 121 A N 0.466 123.292 122.820 0.011 0.000 2.540 121 A HA 0.589 4.909 4.320 -0.000 0.000 0.239 121 A C 1.175 178.717 177.584 -0.071 0.000 1.061 121 A CA 1.069 53.095 52.037 -0.018 0.000 0.758 121 A CB 0.165 19.161 19.000 -0.006 0.000 0.991 121 A HN 2.050 nan 8.150 nan 0.000 0.502 122 S N 1.787 117.409 115.700 -0.130 0.000 2.614 122 S HA 0.168 4.638 4.470 -0.000 0.000 0.265 122 S C 0.713 175.207 174.600 -0.177 0.000 1.303 122 S CA 0.175 58.227 58.200 -0.246 0.000 1.000 122 S CB 0.591 63.446 63.200 -0.575 0.000 0.935 122 S HN 0.711 nan 8.310 nan 0.000 0.551 123 E N 1.505 121.601 120.200 -0.174 0.000 2.118 123 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 123 E C 2.142 178.687 176.600 -0.092 0.000 0.992 123 E CA 1.154 57.492 56.400 -0.105 0.000 0.804 123 E CB -0.767 28.884 29.700 -0.082 0.000 0.741 123 E HN 0.887 nan 8.360 nan 0.000 0.458 124 G N 0.769 109.495 108.800 -0.123 0.000 2.418 124 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 124 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 124 G C 1.654 176.523 174.900 -0.052 0.000 1.158 124 G CA 1.265 46.322 45.100 -0.072 0.000 0.771 124 G HN 0.175 nan 8.290 nan 0.000 0.545 125 T N 1.319 115.830 114.554 -0.071 0.000 2.746 125 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 125 T C 2.385 177.067 174.700 -0.031 0.000 1.039 125 T CA 0.983 63.059 62.100 -0.040 0.000 1.142 125 T CB -0.166 68.677 68.868 -0.042 0.000 0.866 125 T HN 0.242 nan 8.240 nan 0.000 0.444 126 I N 1.256 121.802 120.570 -0.040 0.000 2.226 126 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 126 I C 2.873 178.975 176.117 -0.025 0.000 1.100 126 I CA 1.051 62.333 61.300 -0.031 0.000 1.374 126 I CB -0.444 37.536 38.000 -0.034 0.000 1.057 126 I HN 0.193 nan 8.210 nan 0.000 0.413 127 A N 0.737 123.541 122.820 -0.026 0.000 1.933 127 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 127 A C 2.333 179.911 177.584 -0.010 0.000 1.175 127 A CA 1.282 53.308 52.037 -0.019 0.000 0.628 127 A CB -0.386 18.602 19.000 -0.019 0.000 0.814 127 A HN 0.251 nan 8.150 nan 0.000 0.444 128 R N -0.207 120.289 120.500 -0.006 0.000 2.092 128 R HA -0.013 4.327 4.340 -0.000 0.000 0.231 128 R C 2.018 178.323 176.300 0.009 0.000 1.119 128 R CA 1.151 57.256 56.100 0.008 0.000 0.970 128 R CB -0.966 29.345 30.300 0.017 0.000 0.864 128 R HN 0.600 nan 8.270 nan 0.000 0.440 129 L N 0.116 121.336 121.223 -0.004 0.000 2.072 129 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 129 L C 2.470 179.329 176.870 -0.018 0.000 1.079 129 L CA 1.071 55.905 54.840 -0.011 0.000 0.752 129 L CB -0.455 41.592 42.059 -0.020 0.000 0.906 129 L HN 0.057 nan 8.230 nan 0.000 0.436 130 I N -0.032 120.526 120.570 -0.019 0.000 2.226 130 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 130 I C 2.124 178.230 176.117 -0.017 0.000 1.100 130 I CA 1.162 62.449 61.300 -0.021 0.000 1.374 130 I CB -0.386 37.602 38.000 -0.019 0.000 1.057 130 I HN 0.251 nan 8.210 nan 0.000 0.413 131 D N 0.792 121.186 120.400 -0.010 0.000 2.123 131 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 131 D C 2.134 178.430 176.300 -0.006 0.000 0.992 131 D CA 0.972 54.968 54.000 -0.008 0.000 0.833 131 D CB -0.337 40.459 40.800 -0.006 0.000 0.954 131 D HN 0.162 nan 8.370 nan 0.000 0.455 132 L N 0.777 122.002 121.223 0.004 0.000 2.012 132 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 132 L C 2.141 178.999 176.870 -0.021 0.000 1.073 132 L CA 1.416 56.266 54.840 0.016 0.000 0.748 132 L CB -0.895 41.191 42.059 0.045 0.000 0.891 132 L HN 0.092 nan 8.230 nan 0.000 0.431 133 L N 0.179 121.375 121.223 -0.045 0.000 2.191 133 L HA -0.196 4.143 4.340 -0.000 0.000 0.212 133 L C 1.859 178.702 176.870 -0.046 0.000 1.103 133 L CA 0.856 55.650 54.840 -0.077 0.000 0.769 133 L CB -0.537 41.475 42.059 -0.078 0.000 0.908 133 L HN 0.372 nan 8.230 nan 0.000 0.438 134 N N -0.582 118.106 118.700 -0.020 0.000 2.398 134 N HA -0.003 4.737 4.740 -0.000 0.000 0.188 134 N C 0.815 176.337 175.510 0.019 0.000 1.122 134 N CA 0.319 53.368 53.050 -0.001 0.000 0.866 134 N CB 0.207 38.692 38.487 -0.004 0.000 0.970 134 N HN 0.328 nan 8.380 nan 0.000 0.462 135 S N -0.095 115.619 115.700 0.022 0.000 2.713 135 S HA 0.302 4.772 4.470 -0.000 0.000 0.277 135 S C 0.732 175.405 174.600 0.123 0.000 1.168 135 S CA -0.470 57.757 58.200 0.044 0.000 0.994 135 S CB 1.519 64.728 63.200 0.014 0.000 1.054 135 S HN -0.084 nan 8.310 nan 0.000 0.555 136 E N 0.139 120.435 120.200 0.160 0.000 2.444 136 E HA 0.354 4.704 4.350 -0.000 0.000 0.191 136 E C -0.154 176.744 176.600 0.497 0.000 1.041 136 E CA -0.002 56.583 56.400 0.308 0.000 0.883 136 E CB -0.208 29.579 29.700 0.144 0.000 1.024 136 E HN 0.505 nan 8.360 nan 0.000 0.470 137 L N -0.205 121.232 121.223 0.357 0.000 2.304 137 L HA 0.772 5.112 4.340 -0.000 0.000 0.268 137 L C -0.045 176.962 176.870 0.228 0.000 1.010 137 L CA -1.124 53.961 54.840 0.407 0.000 0.813 137 L CB 1.558 43.727 42.059 0.185 0.000 1.315 137 L HN -0.164 nan 8.230 nan 0.000 0.445 138 A N 0.798 123.773 122.820 0.259 0.000 2.549 138 A HA 0.805 5.125 4.320 -0.000 0.000 0.297 138 A C -2.820 174.845 177.584 0.136 0.000 1.061 138 A CA -1.379 50.658 52.037 0.000 0.000 0.690 138 A CB 1.862 20.675 19.000 -0.312 0.000 1.287 138 A HN 0.360 nan 8.150 nan 0.000 0.402 139 P HA 0.378 nan 4.420 nan 0.000 0.275 139 P C -0.348 176.859 177.300 -0.155 0.000 1.228 139 P CA 0.083 63.026 63.100 -0.262 0.000 0.786 139 P CB 1.272 32.827 31.700 -0.243 0.000 0.927 140 A N 3.326 126.030 122.820 -0.192 0.000 2.366 140 A HA 0.497 4.817 4.320 -0.000 0.000 0.322 140 A C 0.215 177.728 177.584 -0.118 0.000 1.397 140 A CA -0.500 51.480 52.037 -0.095 0.000 0.984 140 A CB -0.452 18.511 19.000 -0.061 0.000 1.149 140 A HN 0.436 nan 8.150 nan 0.000 0.540 141 V N 1.025 120.876 119.914 -0.106 0.000 2.604 141 V HA 0.755 4.875 4.120 -0.000 0.000 0.305 141 V C -2.756 173.235 176.094 -0.172 0.000 1.043 141 V CA -2.626 59.589 62.300 -0.142 0.000 0.888 141 V CB 1.770 33.547 31.823 -0.077 0.000 0.995 141 V HN 0.640 nan 8.190 nan 0.000 0.429 142 P HA 0.118 nan 4.420 nan 0.000 0.268 142 P C 0.833 178.055 177.300 -0.130 0.000 1.205 142 P CA 0.386 63.350 63.100 -0.226 0.000 0.771 142 P CB 1.365 32.862 31.700 -0.338 0.000 0.858 143 S N 2.786 118.442 115.700 -0.074 0.000 2.436 143 S HA 0.003 4.473 4.470 -0.000 0.000 0.228 143 S C 0.871 175.458 174.600 -0.022 0.000 1.014 143 S CA 0.189 58.368 58.200 -0.036 0.000 0.950 143 S CB -0.126 63.064 63.200 -0.017 0.000 0.784 143 S HN 0.417 nan 8.310 nan 0.000 0.504 144 R N -0.133 120.350 120.500 -0.027 0.000 2.720 144 R HA 0.625 4.965 4.340 -0.000 0.000 0.272 144 R C 0.824 177.124 176.300 -0.000 0.000 0.991 144 R CA -0.005 56.090 56.100 -0.009 0.000 1.010 144 R CB 1.450 31.746 30.300 -0.007 0.000 1.141 144 R HN 0.340 nan 8.270 nan 0.000 0.494 145 G N 0.161 108.970 108.800 0.014 0.000 2.705 145 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.193 145 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.193 145 G C 0.119 175.037 174.900 0.030 0.000 1.015 145 G CA -0.077 45.040 45.100 0.028 0.000 0.743 145 G HN 0.602 nan 8.290 nan 0.000 0.476 146 T N 0.799 115.368 114.554 0.026 0.000 2.907 146 T HA 0.523 4.873 4.350 -0.000 0.000 0.284 146 T C 1.471 176.188 174.700 0.029 0.000 1.004 146 T CA 0.503 62.618 62.100 0.024 0.000 1.063 146 T CB 1.610 70.490 68.868 0.020 0.000 0.992 146 T HN 1.159 nan 8.240 nan 0.000 0.483 147 V N 1.269 121.202 119.914 0.031 0.000 3.444 147 V HA 0.601 4.721 4.120 -0.000 0.000 0.308 147 V C 1.136 177.260 176.094 0.050 0.000 1.371 147 V CA 0.198 62.522 62.300 0.041 0.000 1.141 147 V CB -1.292 30.557 31.823 0.042 0.000 1.037 147 V HN 1.352 nan 8.190 nan 0.000 0.433 153 L N -0.335 120.861 121.223 -0.044 0.000 2.046 153 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 153 L C 2.362 179.187 176.870 -0.076 0.000 1.077 153 L CA 1.360 56.152 54.840 -0.079 0.000 0.747 153 L CB -0.572 41.418 42.059 -0.115 0.000 0.896 153 L HN 0.087 nan 8.230 nan 0.000 0.432 154 T N 0.525 115.058 114.554 -0.035 0.000 2.674 154 T HA -0.086 4.264 4.350 -0.000 0.000 0.265 154 T C -0.449 174.309 174.700 0.098 0.000 1.039 154 T CA 1.695 63.801 62.100 0.010 0.000 1.150 154 T CB -1.115 67.787 68.868 0.056 0.000 0.864 154 T HN 0.307 nan 8.240 nan 0.000 0.427 155 P HA 0.036 nan 4.420 nan 0.000 0.218 155 P C 1.540 178.868 177.300 0.046 0.000 1.149 155 P CA 0.918 64.067 63.100 0.082 0.000 0.817 155 P CB -0.206 31.507 31.700 0.021 0.000 0.785 156 L N -0.677 120.544 121.223 -0.004 0.000 2.156 156 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 156 L C 2.749 179.581 176.870 -0.063 0.000 1.095 156 L CA 1.211 56.031 54.840 -0.034 0.000 0.770 156 L CB -0.970 41.063 42.059 -0.043 0.000 0.914 156 L HN -0.061 nan 8.230 nan 0.000 0.439 157 A N -0.946 121.812 122.820 -0.103 0.000 1.930 157 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 157 A C 2.118 179.589 177.584 -0.190 0.000 1.175 157 A CA 1.195 53.119 52.037 -0.188 0.000 0.627 157 A CB -0.667 18.162 19.000 -0.285 0.000 0.815 157 A HN 0.390 nan 8.150 nan 0.000 0.443 158 H N -1.125 117.893 119.070 -0.087 0.000 2.389 158 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 158 H C 2.087 177.349 175.328 -0.110 0.000 1.081 158 H CA 1.738 57.734 56.048 -0.086 0.000 1.345 158 H CB -0.268 29.447 29.762 -0.079 0.000 1.393 158 H HN 0.598 nan 8.280 nan 0.000 0.520 159 M N 0.563 120.165 119.600 0.004 0.000 2.086 159 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 159 M C 2.115 178.371 176.300 -0.074 0.000 1.067 159 M CA 1.347 56.611 55.300 -0.060 0.000 1.116 159 M CB -0.143 32.427 32.600 -0.051 0.000 1.348 159 M HN -0.007 nan 8.290 nan 0.000 0.407 160 V N 1.356 121.230 119.914 -0.066 0.000 2.287 160 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 160 V C 2.460 178.521 176.094 -0.055 0.000 1.053 160 V CA 1.901 64.165 62.300 -0.061 0.000 1.027 160 V CB -0.781 30.993 31.823 -0.081 0.000 0.646 160 V HN 0.551 nan 8.190 nan 0.000 0.447 161 L N -0.887 120.296 121.223 -0.066 0.000 2.042 161 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 161 L C 2.666 179.505 176.870 -0.052 0.000 1.076 161 L CA 1.725 56.540 54.840 -0.043 0.000 0.749 161 L CB -0.789 41.247 42.059 -0.039 0.000 0.893 161 L HN 0.410 nan 8.230 nan 0.000 0.432 162 C N -0.104 119.120 119.300 -0.127 0.000 2.432 162 C HA -0.161 4.298 4.460 -0.000 0.000 0.277 162 C C 2.693 177.595 174.990 -0.147 0.000 1.249 162 C CA 0.468 59.303 59.018 -0.305 0.000 1.725 162 C CB -0.882 26.514 27.740 -0.574 0.000 2.028 162 C HN 0.442 nan 8.230 nan 0.000 0.477 163 L N 0.327 121.528 121.223 -0.037 0.000 2.265 163 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 163 L C 2.419 179.366 176.870 0.127 0.000 1.117 163 L CA 1.303 56.219 54.840 0.128 0.000 0.782 163 L CB -0.650 41.449 42.059 0.067 0.000 0.914 163 L HN 0.533 nan 8.230 nan 0.000 0.441 164 Q N -0.424 119.420 119.800 0.073 0.000 2.360 164 Q HA 0.115 4.455 4.340 -0.000 0.000 0.202 164 Q C 1.377 177.433 176.000 0.092 0.000 0.915 164 Q CA 0.510 56.353 55.803 0.067 0.000 0.943 164 Q CB 0.591 29.350 28.738 0.035 0.000 1.064 164 Q HN 0.554 nan 8.270 nan 0.000 0.511 165 G N 1.699 110.585 108.800 0.143 0.000 2.141 165 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.242 165 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.242 165 G C 0.555 175.521 174.900 0.110 0.000 0.982 165 G CA 0.072 45.275 45.100 0.172 0.000 0.662 165 G HN 0.321 nan 8.290 nan 0.000 0.527 166 R N 0.149 120.688 120.500 0.066 0.000 2.552 166 R HA 0.473 4.813 4.340 -0.000 0.000 0.314 166 R C 1.008 177.319 176.300 0.019 0.000 1.041 166 R CA 0.504 56.630 56.100 0.043 0.000 1.076 166 R CB 0.791 31.114 30.300 0.039 0.000 1.290 166 R HN 0.518 nan 8.270 nan 0.000 0.563 167 G N -0.331 108.464 108.800 -0.007 0.000 2.704 167 G HA2 0.238 4.198 3.960 -0.000 0.000 0.293 167 G HA3 0.238 4.198 3.960 -0.000 0.000 0.293 167 G C -1.489 173.347 174.900 -0.106 0.000 1.421 167 G CA -0.657 44.407 45.100 -0.060 0.000 0.870 167 G HN -0.124 nan 8.290 nan 0.000 0.492 168 D N -0.504 119.843 120.400 -0.088 0.000 2.360 168 D HA 0.572 5.211 4.640 -0.000 0.000 0.242 168 D C -0.475 175.711 176.300 -0.191 0.000 1.184 168 D CA 0.543 54.524 54.000 -0.032 0.000 0.930 168 D CB 0.873 41.679 40.800 0.010 0.000 1.161 168 D HN 0.101 nan 8.370 nan 0.000 0.447 169 F N -0.538 119.437 119.950 0.042 0.000 2.598 169 F HA 0.529 5.056 4.527 -0.000 0.000 0.327 169 F C -0.166 175.681 175.800 0.079 0.000 1.057 169 F CA -0.893 57.141 58.000 0.057 0.000 0.957 169 F CB 1.199 40.234 39.000 0.057 0.000 1.278 169 F HN -0.066 nan 8.300 nan 0.000 0.484 170 L N 1.355 122.782 121.223 0.340 0.000 2.362 170 L HA 0.444 4.784 4.340 -0.000 0.000 0.271 170 L C -1.145 175.943 176.870 0.363 0.000 1.002 170 L CA -1.063 53.950 54.840 0.290 0.000 0.818 170 L CB 1.973 44.208 42.059 0.293 0.000 1.298 170 L HN 0.595 nan 8.230 nan 0.000 0.420 171 D N 0.644 121.153 120.400 0.181 0.000 2.437 171 D HA 0.248 4.888 4.640 -0.000 0.000 0.259 171 D C 0.806 176.922 176.300 -0.307 0.000 1.118 171 D CA -0.704 53.323 54.000 0.045 0.000 1.017 171 D CB 0.823 41.610 40.800 -0.021 0.000 1.120 171 D HN 0.319 nan 8.370 nan 0.000 0.541 172 R N -0.424 119.614 120.500 -0.771 0.000 2.185 172 R HA -0.134 4.206 4.340 -0.000 0.000 0.247 172 R C 0.517 176.447 176.300 -0.616 0.000 1.159 172 R CA 1.557 56.849 56.100 -1.347 0.000 0.988 172 R CB -0.254 29.393 30.300 -1.088 0.000 0.871 172 R HN 0.547 nan 8.270 nan 0.000 0.458 173 D N -1.277 118.929 120.400 -0.323 0.000 2.349 173 D HA 0.048 4.688 4.640 -0.000 0.000 0.215 173 D C 1.179 177.433 176.300 -0.076 0.000 1.016 173 D CA 1.005 54.907 54.000 -0.163 0.000 0.870 173 D CB 0.760 41.492 40.800 -0.114 0.000 0.917 173 D HN 0.469 nan 8.370 nan 0.000 0.524 174 G N 1.041 109.814 108.800 -0.044 0.000 2.175 174 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 174 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 174 G C 0.534 175.457 174.900 0.037 0.000 0.982 174 G CA 0.150 45.270 45.100 0.034 0.000 0.641 174 G HN 0.267 nan 8.290 nan 0.000 0.527 175 T N 2.174 116.739 114.554 0.017 0.000 2.888 175 T HA 0.433 4.783 4.350 -0.000 0.000 0.301 175 T C 0.826 175.561 174.700 0.059 0.000 1.001 175 T CA 0.060 62.176 62.100 0.026 0.000 1.147 175 T CB 0.703 69.576 68.868 0.008 0.000 0.931 175 T HN 0.403 nan 8.240 nan 0.000 0.541 176 R N 2.698 123.232 120.500 0.057 0.000 2.357 176 R HA 0.542 4.882 4.340 -0.000 0.000 0.296 176 R C -0.460 175.890 176.300 0.082 0.000 1.052 176 R CA -0.499 55.646 56.100 0.076 0.000 0.988 176 R CB 0.699 31.032 30.300 0.054 0.000 1.025 176 R HN 0.498 nan 8.270 nan 0.000 0.469 177 L N 2.160 123.457 121.223 0.124 0.000 2.362 177 L HA 0.326 4.666 4.340 -0.000 0.000 0.271 177 L C -0.202 176.764 176.870 0.159 0.000 1.002 177 L CA -1.261 53.655 54.840 0.126 0.000 0.818 177 L CB 1.949 44.088 42.059 0.134 0.000 1.298 177 L HN 0.661 nan 8.230 nan 0.000 0.420 178 D N 0.979 121.452 120.400 0.122 0.000 2.371 178 D HA 0.130 4.770 4.640 -0.000 0.000 0.242 178 D C 1.267 177.691 176.300 0.207 0.000 1.218 178 D CA -0.073 54.003 54.000 0.128 0.000 0.945 178 D CB 0.829 41.678 40.800 0.081 0.000 1.137 178 D HN 0.570 nan 8.370 nan 0.000 0.464 179 G N -0.145 108.776 108.800 0.201 0.000 2.529 179 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 179 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 179 G C 1.502 176.535 174.900 0.220 0.000 1.177 179 G CA 1.787 47.059 45.100 0.288 0.000 0.773 179 G HN 0.699 nan 8.290 nan 0.000 0.573 180 A N 0.713 123.605 122.820 0.119 0.000 1.883 180 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 180 A C 2.217 179.817 177.584 0.027 0.000 1.186 180 A CA 2.338 54.413 52.037 0.063 0.000 0.624 180 A CB -0.487 18.540 19.000 0.046 0.000 0.822 180 A HN 0.446 nan 8.150 nan 0.000 0.444 181 E N 0.103 120.325 120.200 0.036 0.000 2.110 181 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 181 E C 1.938 178.501 176.600 -0.062 0.000 0.988 181 E CA 1.634 58.036 56.400 0.002 0.000 0.804 181 E CB -0.816 28.901 29.700 0.028 0.000 0.745 181 E HN 0.392 nan 8.360 nan 0.000 0.458 182 G N 0.729 109.479 108.800 -0.083 0.000 2.421 182 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 182 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 182 G C 1.602 176.137 174.900 -0.607 0.000 1.171 182 G CA 0.897 45.717 45.100 -0.467 0.000 0.775 182 G HN 0.313 nan 8.290 nan 0.000 0.543 183 L N -0.226 120.770 121.223 -0.378 0.000 2.131 183 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 183 L C 2.916 179.693 176.870 -0.156 0.000 1.092 183 L CA 1.087 55.784 54.840 -0.238 0.000 0.759 183 L CB -0.354 41.667 42.059 -0.063 0.000 0.903 183 L HN 0.204 nan 8.230 nan 0.000 0.435 184 R N 0.498 120.928 120.500 -0.116 0.000 2.055 184 R HA -0.163 4.177 4.340 -0.000 0.000 0.228 184 R C 2.540 178.791 176.300 -0.083 0.000 1.143 184 R CA 1.422 57.477 56.100 -0.074 0.000 0.945 184 R CB -0.165 30.108 30.300 -0.045 0.000 0.841 184 R HN 0.158 nan 8.270 nan 0.000 0.429 185 R N -0.392 120.050 120.500 -0.097 0.000 2.091 185 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 185 R C 1.892 178.138 176.300 -0.089 0.000 1.136 185 R CA 1.881 57.933 56.100 -0.080 0.000 0.959 185 R CB -0.537 29.719 30.300 -0.072 0.000 0.856 185 R HN 0.406 nan 8.270 nan 0.000 0.437 186 G N -0.229 108.483 108.800 -0.148 0.000 2.920 186 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.208 186 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.208 186 G C -0.149 174.694 174.900 -0.094 0.000 1.159 186 G CA -0.096 44.928 45.100 -0.126 0.000 0.784 186 G HN 0.387 nan 8.290 nan 0.000 0.535 187 R N -1.167 119.281 120.500 -0.087 0.000 3.264 187 R HA -0.140 4.200 4.340 -0.000 0.000 0.251 187 R C -0.573 175.694 176.300 -0.056 0.000 0.971 187 R CA 0.249 56.314 56.100 -0.058 0.000 0.658 187 R CB -2.277 28.001 30.300 -0.037 0.000 1.095 187 R HN 0.348 nan 8.270 nan 0.000 0.443 188 L N 0.400 121.577 121.223 -0.077 0.000 2.334 188 L HA 0.419 4.759 4.340 -0.000 0.000 0.270 188 L C 0.692 177.546 176.870 -0.027 0.000 1.018 188 L CA -1.128 53.679 54.840 -0.055 0.000 0.811 188 L CB 1.358 43.367 42.059 -0.084 0.000 1.271 188 L HN 0.012 nan 8.230 nan 0.000 0.443 189 Q N 2.132 121.930 119.800 -0.004 0.000 2.245 189 Q HA 0.405 4.745 4.340 -0.000 0.000 0.256 189 Q C -2.356 173.661 176.000 0.028 0.000 0.942 189 Q CA -1.933 53.875 55.803 0.009 0.000 0.896 189 Q CB 1.603 30.347 28.738 0.009 0.000 1.272 189 Q HN 0.303 nan 8.270 nan 0.000 0.442 190 P HA 0.018 nan 4.420 nan 0.000 0.271 190 P C -0.252 177.075 177.300 0.045 0.000 1.216 190 P CA -0.530 62.601 63.100 0.052 0.000 0.771 190 P CB 0.605 32.333 31.700 0.046 0.000 0.864 191 L N 3.344 124.598 121.223 0.051 0.000 2.513 191 L HA 0.155 4.495 4.340 -0.000 0.000 0.272 191 L C 0.052 176.943 176.870 0.034 0.000 1.187 191 L CA 0.781 55.644 54.840 0.038 0.000 0.895 191 L CB -0.537 41.541 42.059 0.032 0.000 1.147 191 L HN 0.304 nan 8.230 nan 0.000 0.483 192 D N 5.028 125.451 120.400 0.039 0.000 2.425 192 D HA 0.216 4.856 4.640 -0.000 0.000 0.240 192 D C -0.076 176.265 176.300 0.068 0.000 1.080 192 D CA -0.232 53.798 54.000 0.050 0.000 0.836 192 D CB 0.964 41.803 40.800 0.064 0.000 1.125 192 D HN 0.651 nan 8.370 nan 0.000 0.525 193 L N 3.188 124.442 121.223 0.051 0.000 2.848 193 L HA 0.068 4.408 4.340 -0.000 0.000 0.240 193 L C 1.998 178.910 176.870 0.070 0.000 1.232 193 L CA -0.141 54.735 54.840 0.060 0.000 1.031 193 L CB -0.030 42.041 42.059 0.020 0.000 1.338 193 L HN 0.350 nan 8.230 nan 0.000 0.509 194 S N -2.008 113.736 115.700 0.072 0.000 2.440 194 S HA -0.221 4.249 4.470 -0.000 0.000 0.238 194 S C 1.454 176.011 174.600 -0.071 0.000 1.010 194 S CA 1.028 59.219 58.200 -0.015 0.000 0.972 194 S CB -0.453 62.702 63.200 -0.074 0.000 0.774 194 S HN 0.534 nan 8.310 nan 0.000 0.501 195 H N 1.438 120.502 119.070 -0.010 0.000 2.556 195 H HA 0.364 4.920 4.556 -0.000 0.000 0.268 195 H C 0.606 175.925 175.328 -0.015 0.000 0.996 195 H CA 0.422 56.461 56.048 -0.016 0.000 1.157 195 H CB -0.127 29.623 29.762 -0.020 0.000 1.355 195 H HN 0.370 nan 8.280 nan 0.000 0.597 196 R N 0.867 121.418 120.500 0.085 0.000 3.532 196 R HA -0.127 4.213 4.340 -0.000 0.000 0.284 196 R C -0.792 175.552 176.300 0.074 0.000 1.140 196 R CA 0.817 56.954 56.100 0.061 0.000 0.768 196 R CB -1.797 28.526 30.300 0.039 0.000 1.252 196 R HN 0.531 nan 8.270 nan 0.000 0.454 197 D N -1.068 119.379 120.400 0.079 0.000 2.525 197 D HA 0.232 4.872 4.640 -0.000 0.000 0.229 197 D C 1.215 177.552 176.300 0.061 0.000 1.202 197 D CA 0.313 54.355 54.000 0.069 0.000 0.828 197 D CB 0.353 41.178 40.800 0.042 0.000 1.008 197 D HN 0.292 nan 8.370 nan 0.000 0.493 198 A N 0.387 123.239 122.820 0.054 0.000 1.972 198 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 198 A C 1.917 179.519 177.584 0.030 0.000 1.169 198 A CA 0.782 52.832 52.037 0.022 0.000 0.635 198 A CB -0.476 18.524 19.000 -0.001 0.000 0.810 198 A HN 0.282 nan 8.150 nan 0.000 0.446 199 L N -0.714 120.560 121.223 0.085 0.000 2.551 199 L HA 0.010 4.350 4.340 -0.000 0.000 0.228 199 L C 2.625 179.551 176.870 0.093 0.000 1.153 199 L CA 1.173 56.077 54.840 0.105 0.000 0.851 199 L CB -0.434 41.740 42.059 0.192 0.000 0.959 199 L HN 0.381 nan 8.230 nan 0.000 0.451 200 A N -1.146 121.725 122.820 0.085 0.000 2.067 200 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 200 A C 2.111 179.715 177.584 0.032 0.000 1.156 200 A CA 0.980 53.060 52.037 0.071 0.000 0.683 200 A CB -0.232 18.807 19.000 0.066 0.000 0.808 200 A HN 0.390 nan 8.150 nan 0.000 0.455 201 L N -1.093 120.138 121.223 0.014 0.000 2.425 201 L HA 0.129 4.469 4.340 -0.000 0.000 0.215 201 L C -0.006 176.850 176.870 -0.023 0.000 1.065 201 L CA 0.230 55.065 54.840 -0.009 0.000 0.842 201 L CB 0.363 42.410 42.059 -0.020 0.000 1.033 201 L HN 0.045 nan 8.230 nan 0.000 0.474 202 V N 1.943 121.838 119.914 -0.032 0.000 2.247 202 V HA 0.394 4.514 4.120 -0.000 0.000 0.262 202 V C -0.484 175.593 176.094 -0.028 0.000 1.096 202 V CA -0.241 62.023 62.300 -0.060 0.000 0.895 202 V CB -0.064 31.685 31.823 -0.123 0.000 1.141 202 V HN 0.326 nan 8.190 nan 0.000 0.478 203 N N 1.998 120.693 118.700 -0.008 0.000 3.348 203 N HA 0.497 5.237 4.740 -0.000 0.000 0.233 203 N C -0.060 175.474 175.510 0.040 0.000 1.440 203 N CA 0.596 53.661 53.050 0.025 0.000 0.887 203 N CB 2.196 40.715 38.487 0.053 0.000 1.410 203 N HN 0.777 nan 8.380 nan 0.000 0.502 204 G N 0.010 108.864 108.800 0.091 0.000 2.645 204 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.239 204 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.239 204 G C 0.178 175.125 174.900 0.078 0.000 1.331 204 G CA 0.530 45.687 45.100 0.094 0.000 0.890 204 G HN 1.250 nan 8.290 nan 0.000 0.572 205 T N -3.167 111.418 114.554 0.051 0.000 3.269 205 T HA 0.574 4.924 4.350 -0.000 0.000 0.269 205 T C 1.784 176.490 174.700 0.011 0.000 0.993 205 T CA 0.945 63.068 62.100 0.037 0.000 0.909 205 T CB 0.442 69.329 68.868 0.032 0.000 1.115 205 T HN 0.867 nan 8.240 nan 0.000 0.543 206 S N 1.741 117.443 115.700 0.004 0.000 2.374 206 S HA -0.091 4.379 4.470 -0.000 0.000 0.227 206 S C 2.464 177.056 174.600 -0.012 0.000 1.037 206 S CA 1.324 59.517 58.200 -0.011 0.000 1.024 206 S CB -0.590 62.601 63.200 -0.016 0.000 0.861 206 S HN 0.834 nan 8.310 nan 0.000 0.456 207 A N 2.644 125.462 122.820 -0.004 0.000 1.855 207 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 207 A C 2.285 179.872 177.584 0.006 0.000 1.191 207 A CA 1.731 53.766 52.037 -0.003 0.000 0.613 207 A CB -0.785 18.215 19.000 0.001 0.000 0.829 207 A HN 0.662 nan 8.150 nan 0.000 0.442 208 M N -1.575 118.033 119.600 0.013 0.000 2.213 208 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 208 M C 1.765 178.073 176.300 0.014 0.000 1.062 208 M CA 2.245 57.558 55.300 0.020 0.000 1.105 208 M CB -1.238 31.377 32.600 0.025 0.000 1.385 208 M HN 0.153 nan 8.290 nan 0.000 0.417 209 T N 1.180 115.733 114.554 -0.002 0.000 2.777 209 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 209 T C 1.970 176.667 174.700 -0.004 0.000 1.040 209 T CA 1.601 63.692 62.100 -0.016 0.000 1.141 209 T CB -0.685 68.164 68.868 -0.031 0.000 0.868 209 T HN 0.716 nan 8.240 nan 0.000 0.444 210 G N 1.321 110.117 108.800 -0.006 0.000 2.418 210 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.217 210 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.217 210 G C 1.519 176.432 174.900 0.022 0.000 1.158 210 G CA 0.477 45.573 45.100 -0.007 0.000 0.771 210 G HN 0.482 nan 8.290 nan 0.000 0.545 211 I N 1.451 122.039 120.570 0.031 0.000 2.179 211 I HA -0.166 4.004 4.170 -0.000 0.000 0.242 211 I C 3.275 179.445 176.117 0.089 0.000 1.088 211 I CA 1.050 62.383 61.300 0.056 0.000 1.357 211 I CB -0.200 37.830 38.000 0.051 0.000 1.051 211 I HN 0.232 nan 8.210 nan 0.000 0.409 212 A N 1.262 124.137 122.820 0.092 0.000 1.933 212 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 212 A C 2.242 179.936 177.584 0.183 0.000 1.175 212 A CA 1.826 53.957 52.037 0.157 0.000 0.628 212 A CB -0.831 18.233 19.000 0.107 0.000 0.814 212 A HN 0.517 nan 8.150 nan 0.000 0.444 213 L N -2.068 119.224 121.223 0.116 0.000 2.217 213 L HA 0.024 4.364 4.340 -0.000 0.000 0.211 213 L C 1.951 178.932 176.870 0.184 0.000 1.107 213 L CA 1.490 56.408 54.840 0.129 0.000 0.783 213 L CB -1.084 41.017 42.059 0.070 0.000 0.919 213 L HN 0.002 nan 8.230 nan 0.000 0.442 214 V N 0.828 120.850 119.914 0.179 0.000 2.453 214 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 214 V C 2.456 178.675 176.094 0.208 0.000 1.048 214 V CA 1.672 64.119 62.300 0.244 0.000 1.049 214 V CB -0.954 30.978 31.823 0.182 0.000 0.672 214 V HN 0.497 nan 8.190 nan 0.000 0.457 215 N N 0.941 119.736 118.700 0.159 0.000 2.084 215 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 215 N C 1.934 177.496 175.510 0.087 0.000 1.030 215 N CA 1.726 54.845 53.050 0.116 0.000 0.849 215 N CB -0.596 37.944 38.487 0.088 0.000 1.012 215 N HN 0.469 nan 8.380 nan 0.000 0.423 216 A N 0.311 123.206 122.820 0.125 0.000 1.908 216 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 216 A C 2.121 179.733 177.584 0.046 0.000 1.181 216 A CA 1.944 54.037 52.037 0.094 0.000 0.627 216 A CB -0.956 18.160 19.000 0.194 0.000 0.818 216 A HN 0.472 nan 8.150 nan 0.000 0.445 217 H N -0.288 118.761 119.070 -0.036 0.000 2.326 217 H HA 0.077 4.633 4.556 -0.000 0.000 0.301 217 H C 2.220 177.481 175.328 -0.111 0.000 1.081 217 H CA 1.900 57.848 56.048 -0.166 0.000 1.334 217 H CB -0.247 29.281 29.762 -0.391 0.000 1.385 217 H HN 0.394 nan 8.280 nan 0.000 0.504 218 A N -0.321 122.528 122.820 0.047 0.000 1.902 218 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 218 A C 2.694 180.271 177.584 -0.012 0.000 1.181 218 A CA 1.509 53.577 52.037 0.051 0.000 0.623 218 A CB -1.226 17.837 19.000 0.106 0.000 0.818 218 A HN 0.649 nan 8.150 nan 0.000 0.443 219 C N -1.326 117.985 119.300 0.019 0.000 2.422 219 C HA -0.029 4.431 4.460 -0.000 0.000 0.279 219 C C 2.776 177.754 174.990 -0.020 0.000 1.305 219 C CA 1.132 60.202 59.018 0.087 0.000 1.757 219 C CB -1.361 26.462 27.740 0.138 0.000 1.962 219 C HN 0.730 nan 8.230 nan 0.000 0.499 220 R N -0.077 120.313 120.500 -0.182 0.000 2.073 220 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 220 R C 2.271 178.372 176.300 -0.331 0.000 1.134 220 R CA 1.524 57.435 56.100 -0.314 0.000 0.952 220 R CB -0.415 29.599 30.300 -0.478 0.000 0.850 220 R HN 0.601 nan 8.270 nan 0.000 0.433 221 H N 0.531 119.472 119.070 -0.215 0.000 2.326 221 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 221 H C 2.184 177.504 175.328 -0.013 0.000 1.081 221 H CA 1.652 57.623 56.048 -0.128 0.000 1.334 221 H CB -0.201 29.488 29.762 -0.122 0.000 1.385 221 H HN 0.247 nan 8.280 nan 0.000 0.504 222 L N -0.158 121.040 121.223 -0.043 0.000 2.131 222 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 222 L C 2.760 179.478 176.870 -0.252 0.000 1.092 222 L CA 1.015 55.648 54.840 -0.345 0.000 0.759 222 L CB -0.755 40.701 42.059 -1.005 0.000 0.903 222 L HN 0.296 nan 8.230 nan 0.000 0.435 223 G N -0.051 108.732 108.800 -0.029 0.000 2.422 223 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 223 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 223 G C 1.400 176.391 174.900 0.151 0.000 1.146 223 G CA 0.524 45.786 45.100 0.270 0.000 0.769 223 G HN 0.313 nan 8.290 nan 0.000 0.547 224 N N 0.104 118.787 118.700 -0.029 0.000 2.188 224 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 224 N C 1.852 177.279 175.510 -0.138 0.000 1.018 224 N CA 0.864 53.840 53.050 -0.124 0.000 0.858 224 N CB -0.329 38.023 38.487 -0.225 0.000 0.989 224 N HN 0.581 nan 8.380 nan 0.000 0.426 225 W N 1.628 122.888 121.300 -0.067 0.000 2.388 225 W HA 0.052 4.712 4.660 -0.000 0.000 0.294 225 W C 2.521 179.020 176.519 -0.033 0.000 1.212 225 W CA 1.145 58.448 57.345 -0.071 0.000 1.271 225 W CB -0.426 28.950 29.460 -0.141 0.000 1.126 225 W HN 0.028 nan 8.180 nan 0.000 0.535 226 A N -0.116 122.830 122.820 0.211 0.000 1.908 226 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 226 A C 1.997 179.669 177.584 0.147 0.000 1.181 226 A CA 2.227 54.399 52.037 0.225 0.000 0.627 226 A CB -1.133 18.089 19.000 0.369 0.000 0.818 226 A HN 0.101 nan 8.150 nan 0.000 0.445 227 V N -0.346 119.642 119.914 0.122 0.000 2.307 227 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 227 V C 3.067 179.147 176.094 -0.023 0.000 1.045 227 V CA 1.898 64.213 62.300 0.025 0.000 1.024 227 V CB -1.186 30.659 31.823 0.037 0.000 0.651 227 V HN 0.618 nan 8.190 nan 0.000 0.449 228 A N -0.301 122.498 122.820 -0.034 0.000 1.933 228 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 228 A C 2.176 179.781 177.584 0.035 0.000 1.175 228 A CA 1.756 53.762 52.037 -0.052 0.000 0.628 228 A CB -0.502 18.384 19.000 -0.189 0.000 0.814 228 A HN 0.522 nan 8.150 nan 0.000 0.444 229 L N -1.140 120.144 121.223 0.101 0.000 2.179 229 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 229 L C 2.630 179.563 176.870 0.105 0.000 1.096 229 L CA 1.415 56.330 54.840 0.126 0.000 0.779 229 L CB -0.788 41.368 42.059 0.163 0.000 0.922 229 L HN 0.302 nan 8.230 nan 0.000 0.443 230 T N 0.157 114.762 114.554 0.086 0.000 2.777 230 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 230 T C 2.064 176.867 174.700 0.172 0.000 1.040 230 T CA 1.313 63.473 62.100 0.100 0.000 1.141 230 T CB -0.106 68.768 68.868 0.010 0.000 0.868 230 T HN 0.426 nan 8.240 nan 0.000 0.444 231 A N 1.268 124.154 122.820 0.110 0.000 1.902 231 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 231 A C 2.197 179.898 177.584 0.195 0.000 1.181 231 A CA 1.159 53.323 52.037 0.212 0.000 0.623 231 A CB -0.787 18.273 19.000 0.099 0.000 0.818 231 A HN 0.395 nan 8.150 nan 0.000 0.443 232 L N -0.761 120.535 121.223 0.123 0.000 2.141 232 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 232 L C 2.175 179.103 176.870 0.096 0.000 1.094 232 L CA 1.660 56.558 54.840 0.097 0.000 0.763 232 L CB -0.647 41.460 42.059 0.079 0.000 0.908 232 L HN 0.383 nan 8.230 nan 0.000 0.437 233 L N -0.214 121.077 121.223 0.114 0.000 2.046 233 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 233 L C 2.481 179.412 176.870 0.103 0.000 1.077 233 L CA 2.041 56.940 54.840 0.098 0.000 0.747 233 L CB -1.000 41.126 42.059 0.113 0.000 0.896 233 L HN 0.244 nan 8.230 nan 0.000 0.432 234 A N -0.807 122.109 122.820 0.159 0.000 1.933 234 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 234 A C 2.125 179.739 177.584 0.050 0.000 1.175 234 A CA 1.763 53.861 52.037 0.102 0.000 0.628 234 A CB -0.606 18.478 19.000 0.140 0.000 0.814 234 A HN 0.638 nan 8.150 nan 0.000 0.444 235 E N -1.145 119.098 120.200 0.071 0.000 2.347 235 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 235 E C 1.553 178.171 176.600 0.031 0.000 1.008 235 E CA 0.866 57.293 56.400 0.045 0.000 0.852 235 E CB -0.232 29.501 29.700 0.055 0.000 0.783 235 E HN 0.680 nan 8.360 nan 0.000 0.505 236 C N -0.029 119.290 119.300 0.033 0.000 2.634 236 C HA 0.176 4.636 4.460 -0.000 0.000 0.268 236 C C 1.679 176.675 174.990 0.010 0.000 1.322 236 C CA -0.017 59.012 59.018 0.019 0.000 1.737 236 C CB -0.151 27.599 27.740 0.018 0.000 1.976 236 C HN 0.318 nan 8.230 nan 0.000 0.547 237 L N -0.068 121.163 121.223 0.012 0.000 3.168 237 L HA 0.286 4.625 4.340 -0.000 0.000 0.277 237 L C 0.293 177.157 176.870 -0.009 0.000 1.245 237 L CA -0.088 54.753 54.840 0.002 0.000 1.035 237 L CB -0.276 41.788 42.059 0.008 0.000 1.399 237 L HN 0.224 nan 8.230 nan 0.000 0.580 238 R N 0.647 121.141 120.500 -0.011 0.000 3.333 238 R HA -0.157 4.183 4.340 -0.000 0.000 0.256 238 R C 0.705 176.975 176.300 -0.049 0.000 1.010 238 R CA 0.443 56.529 56.100 -0.023 0.000 0.680 238 R CB -1.936 28.354 30.300 -0.018 0.000 1.102 238 R HN 0.505 nan 8.270 nan 0.000 0.440 239 G N 0.647 109.406 108.800 -0.069 0.000 2.544 239 G HA2 0.181 4.141 3.960 -0.000 0.000 0.242 239 G HA3 0.181 4.141 3.960 -0.000 0.000 0.242 239 G C 0.044 174.811 174.900 -0.223 0.000 1.247 239 G CA -0.583 44.433 45.100 -0.140 0.000 0.840 239 G HN 0.250 nan 8.290 nan 0.000 0.578 240 R N 0.542 120.878 120.500 -0.273 0.000 2.202 240 R HA 0.225 4.565 4.340 -0.000 0.000 0.334 240 R C 1.557 177.554 176.300 -0.505 0.000 1.036 240 R CA 0.201 56.133 56.100 -0.280 0.000 0.878 240 R CB 0.892 31.085 30.300 -0.179 0.000 1.067 240 R HN 0.710 nan 8.270 nan 0.000 0.457 241 T N -1.122 113.179 114.554 -0.422 0.000 3.035 241 T HA -0.141 4.208 4.350 -0.000 0.000 0.268 241 T C 1.447 175.986 174.700 -0.268 0.000 1.109 241 T CA 0.949 62.773 62.100 -0.460 0.000 1.119 241 T CB -0.034 68.717 68.868 -0.196 0.000 0.900 241 T HN 0.740 nan 8.240 nan 0.000 0.503 242 E N 1.884 121.973 120.200 -0.185 0.000 2.204 242 E HA -0.044 4.306 4.350 -0.000 0.000 0.195 242 E C 2.220 178.785 176.600 -0.058 0.000 0.990 242 E CA 0.952 57.302 56.400 -0.084 0.000 0.821 242 E CB -0.585 29.081 29.700 -0.056 0.000 0.750 242 E HN 0.617 nan 8.360 nan 0.000 0.477 243 A N 0.750 123.484 122.820 -0.144 0.000 2.121 243 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 243 A C 0.979 178.691 177.584 0.214 0.000 1.154 243 A CA 0.689 52.710 52.037 -0.027 0.000 0.679 243 A CB -0.599 18.348 19.000 -0.088 0.000 0.795 243 A HN 0.498 nan 8.150 nan 0.000 0.458 244 W N -0.339 120.963 121.300 0.005 0.000 3.239 244 W HA 0.600 5.260 4.660 -0.000 0.000 0.368 244 W C 0.807 177.330 176.519 0.006 0.000 1.154 244 W CA -1.099 56.250 57.345 0.007 0.000 1.860 244 W CB -1.331 28.136 29.460 0.011 0.000 1.094 244 W HN 0.342 nan 8.180 nan 0.000 0.643 245 A N 0.886 123.815 122.820 0.182 0.000 2.498 245 A HA 0.416 4.736 4.320 -0.000 0.000 0.239 245 A C 1.698 179.336 177.584 0.090 0.000 1.068 245 A CA 0.732 52.833 52.037 0.106 0.000 0.766 245 A CB 0.561 19.596 19.000 0.058 0.000 1.003 245 A HN 0.262 nan 8.150 nan 0.000 0.497 246 A N 2.610 125.471 122.820 0.069 0.000 1.978 246 A HA 0.101 4.421 4.320 -0.000 0.000 0.220 246 A C 2.369 179.975 177.584 0.038 0.000 1.170 246 A CA 2.288 54.355 52.037 0.050 0.000 0.636 246 A CB -0.947 18.075 19.000 0.038 0.000 0.810 246 A HN 1.769 nan 8.150 nan 0.000 0.448 247 A N -0.208 122.632 122.820 0.033 0.000 1.940 247 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 247 A C 2.136 179.733 177.584 0.022 0.000 1.176 247 A CA 1.585 53.636 52.037 0.022 0.000 0.631 247 A CB -0.568 18.443 19.000 0.018 0.000 0.814 247 A HN 0.501 nan 8.150 nan 0.000 0.446 248 L N -0.588 120.656 121.223 0.034 0.000 2.093 248 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 248 L C 2.800 179.688 176.870 0.030 0.000 1.085 248 L CA 1.312 56.172 54.840 0.033 0.000 0.755 248 L CB -0.365 41.723 42.059 0.049 0.000 0.904 248 L HN 0.334 nan 8.230 nan 0.000 0.435 249 S N -0.371 115.351 115.700 0.036 0.000 2.368 249 S HA -0.165 4.305 4.470 -0.000 0.000 0.224 249 S C 1.490 176.097 174.600 0.012 0.000 1.029 249 S CA 1.219 59.438 58.200 0.031 0.000 0.988 249 S CB -0.253 62.970 63.200 0.038 0.000 0.838 249 S HN 0.445 nan 8.310 nan 0.000 0.462 250 D N 1.493 121.899 120.400 0.009 0.000 2.218 250 D HA -0.016 4.624 4.640 -0.000 0.000 0.204 250 D C 1.741 178.032 176.300 -0.016 0.000 0.976 250 D CA 0.674 54.672 54.000 -0.004 0.000 0.853 250 D CB -0.240 40.561 40.800 0.001 0.000 0.939 250 D HN 0.332 nan 8.370 nan 0.000 0.481 251 L N -0.478 120.739 121.223 -0.011 0.000 2.217 251 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 251 L C 1.606 178.454 176.870 -0.036 0.000 1.107 251 L CA 0.562 55.392 54.840 -0.018 0.000 0.783 251 L CB 0.142 42.197 42.059 -0.008 0.000 0.919 251 L HN -0.179 nan 8.230 nan 0.000 0.442 252 R N 0.753 121.230 120.500 -0.038 0.000 2.644 252 R HA 0.191 4.531 4.340 -0.000 0.000 0.271 252 R C -2.167 174.068 176.300 -0.108 0.000 1.687 252 R CA -1.424 54.630 56.100 -0.077 0.000 1.655 252 R CB 0.857 31.152 30.300 -0.009 0.000 1.285 252 R HN -0.137 nan 8.270 nan 0.000 0.643 253 P HA -0.100 nan 4.420 nan 0.000 0.297 253 P C -0.696 176.535 177.300 -0.116 0.000 1.544 253 P CA 0.318 63.354 63.100 -0.107 0.000 0.798 253 P CB -0.343 31.304 31.700 -0.089 0.000 1.757 254 H N 0.805 119.877 119.070 0.003 0.000 2.767 254 H HA 0.102 4.658 4.556 -0.000 0.000 0.316 254 H C -1.303 174.038 175.328 0.022 0.000 1.059 254 H CA -1.595 54.458 56.048 0.007 0.000 1.461 254 H CB 0.595 30.357 29.762 -0.001 0.000 1.475 254 H HN 0.079 nan 8.280 nan 0.000 0.531 255 P HA -0.165 nan 4.420 nan 0.000 0.215 255 P C 1.645 179.019 177.300 0.123 0.000 1.157 255 P CA 1.722 64.885 63.100 0.105 0.000 0.874 255 P CB 0.120 31.875 31.700 0.092 0.000 0.790 256 G N -0.508 108.383 108.800 0.151 0.000 2.422 256 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.218 256 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.218 256 G C 1.670 176.673 174.900 0.171 0.000 1.146 256 G CA 0.683 45.903 45.100 0.201 0.000 0.769 256 G HN 0.328 nan 8.290 nan 0.000 0.547 257 Q N 0.067 119.933 119.800 0.110 0.000 2.083 257 Q HA -0.039 4.301 4.340 -0.000 0.000 0.198 257 Q C 2.460 178.498 176.000 0.064 0.000 0.969 257 Q CA 1.422 57.263 55.803 0.063 0.000 0.838 257 Q CB -0.178 28.609 28.738 0.082 0.000 0.900 257 Q HN 0.512 nan 8.270 nan 0.000 0.436 258 K N 0.187 120.633 120.400 0.077 0.000 2.057 258 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 258 K C 1.629 178.262 176.600 0.054 0.000 1.049 258 K CA 1.854 58.175 56.287 0.056 0.000 0.931 258 K CB -0.134 32.395 32.500 0.049 0.000 0.714 258 K HN 0.177 nan 8.250 nan 0.000 0.440 259 D N -0.095 120.351 120.400 0.077 0.000 2.097 259 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 259 D C 1.717 178.071 176.300 0.091 0.000 0.984 259 D CA 1.477 55.520 54.000 0.071 0.000 0.826 259 D CB -0.053 40.792 40.800 0.075 0.000 0.973 259 D HN 0.322 nan 8.370 nan 0.000 0.460 260 A N 0.531 123.449 122.820 0.162 0.000 1.902 260 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 260 A C 2.381 179.930 177.584 -0.058 0.000 1.181 260 A CA 2.329 54.443 52.037 0.130 0.000 0.623 260 A CB -1.130 17.885 19.000 0.025 0.000 0.818 260 A HN 0.325 nan 8.150 nan 0.000 0.443 261 A N -0.191 122.593 122.820 -0.059 0.000 1.902 261 A HA 0.167 4.487 4.320 -0.000 0.000 0.217 261 A C 2.521 180.086 177.584 -0.033 0.000 1.181 261 A CA 2.128 54.115 52.037 -0.083 0.000 0.623 261 A CB -1.056 17.952 19.000 0.014 0.000 0.818 261 A HN 1.079 nan 8.150 nan 0.000 0.443 262 A N -0.165 122.655 122.820 0.001 0.000 1.902 262 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 262 A C 2.239 179.817 177.584 -0.009 0.000 1.181 262 A CA 1.665 53.708 52.037 0.011 0.000 0.623 262 A CB -0.445 18.563 19.000 0.012 0.000 0.818 262 A HN 0.553 nan 8.150 nan 0.000 0.443 263 R N -0.665 119.817 120.500 -0.030 0.000 2.092 263 R HA 0.046 4.386 4.340 -0.000 0.000 0.231 263 R C 2.018 178.270 176.300 -0.080 0.000 1.119 263 R CA 1.206 57.278 56.100 -0.047 0.000 0.970 263 R CB -0.425 29.851 30.300 -0.039 0.000 0.864 263 R HN 0.500 nan 8.270 nan 0.000 0.440 264 L N 0.172 121.296 121.223 -0.165 0.000 2.056 264 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 264 L C 2.531 179.393 176.870 -0.013 0.000 1.078 264 L CA 1.381 56.040 54.840 -0.301 0.000 0.749 264 L CB -0.316 41.194 42.059 -0.915 0.000 0.901 264 L HN 0.141 nan 8.230 nan 0.000 0.433 265 R N -0.117 120.433 120.500 0.083 0.000 2.081 265 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 265 R C 2.394 178.755 176.300 0.102 0.000 1.131 265 R CA 1.362 57.569 56.100 0.178 0.000 0.960 265 R CB -0.539 29.846 30.300 0.142 0.000 0.856 265 R HN 0.358 nan 8.270 nan 0.000 0.436 266 A N 1.348 124.195 122.820 0.045 0.000 1.933 266 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 266 A C 2.055 179.653 177.584 0.023 0.000 1.175 266 A CA 1.101 53.152 52.037 0.023 0.000 0.628 266 A CB -0.263 18.735 19.000 -0.003 0.000 0.814 266 A HN 0.105 nan 8.150 nan 0.000 0.444 267 R N -0.201 120.310 120.500 0.019 0.000 2.081 267 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 267 R C 1.933 178.269 176.300 0.059 0.000 1.131 267 R CA 1.756 57.868 56.100 0.019 0.000 0.960 267 R CB -1.354 28.946 30.300 0.001 0.000 0.856 267 R HN 0.671 nan 8.270 nan 0.000 0.436 268 V N -0.853 119.129 119.914 0.112 0.000 3.633 268 V HA 0.101 4.221 4.120 -0.000 0.000 0.283 268 V C 0.248 176.388 176.094 0.077 0.000 1.305 268 V CA -0.501 61.870 62.300 0.119 0.000 1.153 268 V CB -0.695 31.244 31.823 0.194 0.000 0.950 268 V HN -0.039 nan 8.190 nan 0.000 0.432 269 D N 1.202 121.638 120.400 0.060 0.000 2.458 269 D HA 0.420 5.060 4.640 -0.000 0.000 0.243 269 D C 1.435 177.751 176.300 0.027 0.000 1.146 269 D CA 1.790 55.813 54.000 0.039 0.000 0.877 269 D CB 0.458 41.276 40.800 0.029 0.000 1.176 269 D HN 0.536 nan 8.370 nan 0.000 0.461 270 G N 2.392 111.204 108.800 0.020 0.000 2.195 270 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 270 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 270 G C 0.446 175.356 174.900 0.016 0.000 0.984 270 G CA 0.253 45.362 45.100 0.015 0.000 0.633 270 G HN 0.772 nan 8.290 nan 0.000 0.525 271 S N 0.166 115.879 115.700 0.022 0.000 2.565 271 S HA 0.675 5.145 4.470 -0.000 0.000 0.276 271 S C 1.231 175.839 174.600 0.013 0.000 1.326 271 S CA 0.798 59.011 58.200 0.023 0.000 1.045 271 S CB 1.348 64.569 63.200 0.034 0.000 0.918 271 S HN 1.600 nan 8.310 nan 0.000 0.505 272 A N 5.178 128.006 122.820 0.014 0.000 2.431 272 A HA 0.329 4.649 4.320 -0.000 0.000 0.239 272 A C 1.768 179.360 177.584 0.014 0.000 1.230 272 A CA -0.336 51.708 52.037 0.012 0.000 0.928 272 A CB 0.090 19.097 19.000 0.013 0.000 1.006 272 A HN 0.731 nan 8.150 nan 0.000 0.520 273 R N -0.042 120.466 120.500 0.013 0.000 2.254 273 R HA 0.092 4.431 4.340 -0.000 0.000 0.195 273 R C 0.767 177.069 176.300 0.003 0.000 0.957 273 R CA 0.918 57.025 56.100 0.012 0.000 1.024 273 R CB -0.402 29.908 30.300 0.016 0.000 0.952 273 R HN 0.496 nan 8.270 nan 0.000 0.484 274 V N -1.215 118.696 119.914 -0.004 0.000 2.863 274 V HA 0.418 4.537 4.120 -0.000 0.000 0.307 274 V C 0.485 176.563 176.094 -0.027 0.000 1.061 274 V CA -0.924 61.357 62.300 -0.033 0.000 1.024 274 V CB 1.963 33.753 31.823 -0.055 0.000 1.049 274 V HN -0.261 nan 8.190 nan 0.000 0.471 275 V N 4.183 124.071 119.914 -0.044 0.000 2.364 275 V HA 0.437 4.557 4.120 -0.000 0.000 0.272 275 V C 1.053 177.127 176.094 -0.033 0.000 1.036 275 V CA -0.252 62.055 62.300 0.011 0.000 0.880 275 V CB 0.605 32.436 31.823 0.013 0.000 0.991 275 V HN 0.933 nan 8.190 nan 0.000 0.460 276 R N 1.605 122.074 120.500 -0.051 0.000 2.334 276 R HA 0.182 4.522 4.340 -0.000 0.000 0.212 276 R C -0.147 176.055 176.300 -0.164 0.000 0.897 276 R CA -0.167 55.851 56.100 -0.137 0.000 1.056 276 R CB 0.163 30.357 30.300 -0.177 0.000 1.046 276 R HN 0.733 nan 8.270 nan 0.000 0.513 277 H N 0.152 119.196 119.070 -0.044 0.000 2.803 277 H HA 0.066 4.622 4.556 -0.000 0.000 0.330 277 H C -0.191 175.114 175.328 -0.038 0.000 1.057 277 H CA -0.065 55.963 56.048 -0.034 0.000 1.458 277 H CB 0.854 30.598 29.762 -0.029 0.000 1.470 277 H HN -0.204 nan 8.280 nan 0.000 0.560 278 V N 6.234 126.187 119.914 0.065 0.000 2.405 278 V HA -0.049 4.071 4.120 -0.000 0.000 0.264 278 V C 1.903 178.021 176.094 0.040 0.000 1.048 278 V CA 0.033 62.350 62.300 0.029 0.000 0.966 278 V CB -0.340 31.490 31.823 0.012 0.000 1.015 278 V HN 0.835 nan 8.190 nan 0.000 0.477 279 I N 3.322 123.907 120.570 0.024 0.000 2.315 279 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 279 I C 2.085 178.209 176.117 0.011 0.000 1.125 279 I CA 2.097 63.405 61.300 0.015 0.000 1.392 279 I CB -0.247 37.755 38.000 0.003 0.000 1.065 279 I HN 0.553 nan 8.210 nan 0.000 0.424 280 A N 0.810 123.636 122.820 0.010 0.000 2.172 280 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 280 A C 2.137 179.727 177.584 0.010 0.000 1.154 280 A CA 1.038 53.080 52.037 0.008 0.000 0.701 280 A CB -0.502 18.502 19.000 0.006 0.000 0.789 280 A HN 0.534 nan 8.150 nan 0.000 0.465 281 E N 0.107 120.317 120.200 0.016 0.000 2.152 281 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 281 E C 1.172 177.781 176.600 0.015 0.000 0.983 281 E CA 0.229 56.640 56.400 0.019 0.000 0.818 281 E CB -0.236 29.483 29.700 0.032 0.000 0.758 281 E HN 0.642 nan 8.360 nan 0.000 0.467 282 R N 1.877 122.384 120.500 0.011 0.000 2.449 282 R HA 0.038 4.378 4.340 -0.000 0.000 0.296 282 R C -0.364 175.935 176.300 -0.001 0.000 1.047 282 R CA 0.067 56.168 56.100 0.002 0.000 1.018 282 R CB 0.377 30.672 30.300 -0.007 0.000 0.962 282 R HN -0.123 nan 8.270 nan 0.000 0.428 283 R N 5.669 126.168 120.500 -0.002 0.000 2.207 283 R HA 0.254 4.594 4.340 -0.000 0.000 0.334 283 R C -0.402 175.895 176.300 -0.005 0.000 1.013 283 R CA -0.564 55.535 56.100 -0.002 0.000 0.858 283 R CB 0.992 31.291 30.300 -0.001 0.000 1.094 283 R HN 0.482 nan 8.270 nan 0.000 0.457 284 L N 3.314 124.534 121.223 -0.005 0.000 2.395 284 L HA 0.263 4.603 4.340 -0.000 0.000 0.269 284 L C 0.726 177.593 176.870 -0.006 0.000 1.133 284 L CA -0.242 54.594 54.840 -0.007 0.000 0.812 284 L CB 0.536 42.591 42.059 -0.006 0.000 1.125 284 L HN 0.688 nan 8.230 nan 0.000 0.452 285 D N 1.463 121.859 120.400 -0.007 0.000 2.654 285 D HA 0.348 4.988 4.640 -0.000 0.000 0.255 285 D C 0.582 176.879 176.300 -0.006 0.000 1.101 285 D CA -0.317 53.679 54.000 -0.006 0.000 1.116 285 D CB 1.642 42.439 40.800 -0.006 0.000 1.348 285 D HN 0.441 nan 8.370 nan 0.000 0.609 286 A N 0.186 123.003 122.820 -0.005 0.000 1.873 286 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 286 A C 2.058 179.638 177.584 -0.006 0.000 1.193 286 A CA 2.433 54.467 52.037 -0.005 0.000 0.629 286 A CB -1.647 17.351 19.000 -0.004 0.000 0.826 286 A HN 0.718 nan 8.150 nan 0.000 0.447 287 G N -1.133 107.663 108.800 -0.007 0.000 2.653 287 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.212 287 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.212 287 G C 0.713 175.608 174.900 -0.009 0.000 1.138 287 G CA 0.971 46.066 45.100 -0.007 0.000 0.782 287 G HN 0.520 nan 8.290 nan 0.000 0.535 288 D N 0.068 120.463 120.400 -0.009 0.000 2.346 288 D HA 0.045 4.685 4.640 -0.000 0.000 0.206 288 D C 1.051 177.346 176.300 -0.009 0.000 1.001 288 D CA -0.160 53.834 54.000 -0.010 0.000 0.871 288 D CB 0.578 41.371 40.800 -0.011 0.000 0.943 288 D HN 0.133 nan 8.370 nan 0.000 0.518 289 I N 1.448 122.014 120.570 -0.008 0.000 2.668 289 I HA 0.304 4.474 4.170 -0.000 0.000 0.285 289 I C 1.435 177.548 176.117 -0.007 0.000 1.168 289 I CA 0.843 62.139 61.300 -0.007 0.000 1.424 289 I CB 0.130 38.127 38.000 -0.005 0.000 1.377 289 I HN 0.058 nan 8.210 nan 0.000 0.560 290 G N 5.710 114.506 108.800 -0.007 0.000 2.373 290 G HA2 0.067 4.027 3.960 -0.000 0.000 0.250 290 G HA3 0.067 4.027 3.960 -0.000 0.000 0.250 290 G C -1.070 173.825 174.900 -0.008 0.000 1.304 290 G CA -0.676 44.420 45.100 -0.007 0.000 0.948 290 G HN 0.439 nan 8.290 nan 0.000 0.474 291 T N 1.830 116.379 114.554 -0.009 0.000 2.770 291 T HA 0.593 4.943 4.350 -0.000 0.000 0.283 291 T C -0.240 174.453 174.700 -0.011 0.000 0.988 291 T CA -0.264 61.831 62.100 -0.009 0.000 0.957 291 T CB 1.540 70.402 68.868 -0.009 0.000 0.930 291 T HN 0.464 nan 8.240 nan 0.000 0.443 292 E N 3.030 123.222 120.200 -0.012 0.000 2.319 292 E HA 0.209 4.559 4.350 -0.000 0.000 0.268 292 E C -1.304 175.287 176.600 -0.015 0.000 1.050 292 E CA -2.023 54.368 56.400 -0.015 0.000 0.878 292 E CB 0.861 30.551 29.700 -0.016 0.000 1.066 292 E HN 0.337 nan 8.360 nan 0.000 0.406 293 P HA -0.128 nan 4.420 nan 0.000 0.216 293 P C -0.667 176.623 177.300 -0.017 0.000 1.150 293 P CA 1.339 64.429 63.100 -0.016 0.000 0.837 293 P CB 0.328 32.017 31.700 -0.018 0.000 0.786 294 E N -1.600 118.589 120.200 -0.018 0.000 2.367 294 E HA 0.601 4.951 4.350 -0.000 0.000 0.273 294 E C -0.964 175.627 176.600 -0.016 0.000 0.903 294 E CA -1.142 55.248 56.400 -0.017 0.000 0.764 294 E CB 2.049 31.738 29.700 -0.019 0.000 1.252 294 E HN -0.113 nan 8.360 nan 0.000 0.446 295 A N 0.620 123.433 122.820 -0.013 0.000 2.346 295 A HA 0.436 4.756 4.320 -0.000 0.000 0.252 295 A C 1.172 178.750 177.584 -0.009 0.000 1.089 295 A CA 0.357 52.389 52.037 -0.009 0.000 0.797 295 A CB 0.030 19.028 19.000 -0.004 0.000 1.047 295 A HN 0.784 nan 8.150 nan 0.000 0.494 296 G N -0.892 107.904 108.800 -0.006 0.000 2.848 296 G HA2 0.302 4.261 3.960 -0.000 0.000 0.208 296 G HA3 0.302 4.261 3.960 -0.000 0.000 0.208 296 G C 0.423 175.319 174.900 -0.007 0.000 1.152 296 G CA 0.335 45.431 45.100 -0.008 0.000 0.789 296 G HN 0.696 nan 8.290 nan 0.000 0.531 297 Q N 0.075 119.877 119.800 0.002 0.000 2.389 297 Q HA 0.287 4.627 4.340 -0.000 0.000 0.277 297 Q C -1.481 174.530 176.000 0.018 0.000 1.082 297 Q CA -1.015 54.794 55.803 0.010 0.000 0.810 297 Q CB 2.102 30.862 28.738 0.037 0.000 1.374 297 Q HN 0.038 nan 8.270 nan 0.000 0.422 298 D N 0.704 121.114 120.400 0.017 0.000 2.383 298 D HA 0.368 5.008 4.640 -0.000 0.000 0.248 298 D C -0.142 176.214 176.300 0.092 0.000 1.170 298 D CA -0.083 53.936 54.000 0.032 0.000 0.977 298 D CB 0.853 41.659 40.800 0.011 0.000 1.120 298 D HN 0.623 nan 8.370 nan 0.000 0.481 299 A N 0.425 123.291 122.820 0.077 0.000 2.386 299 A HA -0.001 4.319 4.320 -0.000 0.000 0.246 299 A C 0.641 178.368 177.584 0.239 0.000 1.089 299 A CA -0.094 51.994 52.037 0.086 0.000 0.790 299 A CB -0.085 18.928 19.000 0.022 0.000 1.042 299 A HN 0.538 nan 8.150 nan 0.000 0.497 300 Y N 0.903 121.221 120.300 0.031 0.000 2.315 300 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 300 Y C 2.876 178.811 175.900 0.058 0.000 1.154 300 Y CA 1.532 59.657 58.100 0.041 0.000 1.229 300 Y CB -1.301 37.174 38.460 0.025 0.000 0.980 300 Y HN 0.739 nan 8.280 nan 0.000 0.540 301 S N -1.127 114.700 115.700 0.212 0.000 2.500 301 S HA -0.085 4.385 4.470 -0.000 0.000 0.239 301 S C 1.756 176.462 174.600 0.176 0.000 0.989 301 S CA 1.006 59.297 58.200 0.152 0.000 0.951 301 S CB -0.495 62.770 63.200 0.108 0.000 0.759 301 S HN 0.458 nan 8.310 nan 0.000 0.523 302 L N -0.365 120.984 121.223 0.210 0.000 2.588 302 L HA 0.364 4.704 4.340 -0.000 0.000 0.194 302 L C 2.707 179.799 176.870 0.369 0.000 1.070 302 L CA 0.162 55.178 54.840 0.295 0.000 0.852 302 L CB -0.204 41.969 42.059 0.191 0.000 1.199 302 L HN 0.158 nan 8.230 nan 0.000 0.486 303 R N -0.051 120.585 120.500 0.226 0.000 2.120 303 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 303 R C 1.458 177.863 176.300 0.174 0.000 1.123 303 R CA 1.759 57.967 56.100 0.179 0.000 0.975 303 R CB -0.165 30.204 30.300 0.115 0.000 0.866 303 R HN 0.395 nan 8.270 nan 0.000 0.446 304 C N 0.206 119.570 119.300 0.106 0.000 2.688 304 C HA 0.440 4.900 4.460 -0.000 0.000 0.297 304 C C 2.066 177.067 174.990 0.019 0.000 1.308 304 C CA -0.399 58.618 59.018 -0.002 0.000 1.726 304 C CB -0.333 27.308 27.740 -0.165 0.000 1.982 304 C HN 0.615 nan 8.230 nan 0.000 0.604 305 A N 2.644 125.518 122.820 0.089 0.000 1.908 305 A HA -0.095 4.224 4.320 -0.000 0.000 0.218 305 A C 0.003 177.502 177.584 -0.142 0.000 1.181 305 A CA 1.782 53.804 52.037 -0.026 0.000 0.627 305 A CB -1.533 17.448 19.000 -0.033 0.000 0.818 305 A HN 0.411 nan 8.150 nan 0.000 0.445 306 P HA -0.154 nan 4.420 nan 0.000 0.215 306 P C 1.269 178.498 177.300 -0.119 0.000 1.153 306 P CA 1.511 64.522 63.100 -0.149 0.000 0.853 306 P CB -0.048 31.613 31.700 -0.066 0.000 0.788 307 Q N -1.024 118.726 119.800 -0.084 0.000 2.083 307 Q HA -0.074 4.265 4.340 -0.000 0.000 0.198 307 Q C 2.112 178.029 176.000 -0.140 0.000 0.969 307 Q CA 1.215 56.964 55.803 -0.091 0.000 0.838 307 Q CB -1.320 27.373 28.738 -0.075 0.000 0.900 307 Q HN 0.101 nan 8.270 nan 0.000 0.436 308 V N 0.232 120.059 119.914 -0.144 0.000 2.283 308 V HA -0.187 3.933 4.120 -0.000 0.000 0.243 308 V C 2.080 178.017 176.094 -0.261 0.000 1.039 308 V CA 1.377 63.578 62.300 -0.164 0.000 1.016 308 V CB -0.586 31.168 31.823 -0.114 0.000 0.650 308 V HN 0.293 nan 8.190 nan 0.000 0.449 309 L N 0.652 121.672 121.223 -0.338 0.000 2.042 309 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 309 L C 2.662 179.005 176.870 -0.878 0.000 1.076 309 L CA 1.814 56.259 54.840 -0.659 0.000 0.749 309 L CB -1.208 40.456 42.059 -0.659 0.000 0.893 309 L HN 0.488 nan 8.230 nan 0.000 0.432 310 G N -0.419 108.097 108.800 -0.472 0.000 2.440 310 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 310 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 310 G C 1.760 176.561 174.900 -0.165 0.000 1.154 310 G CA 0.836 45.793 45.100 -0.238 0.000 0.767 310 G HN 0.479 nan 8.290 nan 0.000 0.552 311 A N 0.749 123.445 122.820 -0.205 0.000 1.930 311 A HA 0.208 4.528 4.320 -0.000 0.000 0.217 311 A C 2.679 180.195 177.584 -0.113 0.000 1.175 311 A CA 1.968 53.903 52.037 -0.170 0.000 0.627 311 A CB -0.904 17.987 19.000 -0.181 0.000 0.815 311 A HN 0.495 nan 8.150 nan 0.000 0.443 312 G N -1.051 107.644 108.800 -0.173 0.000 2.402 312 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.216 312 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.216 312 G C 1.276 176.246 174.900 0.117 0.000 1.162 312 G CA 1.005 46.049 45.100 -0.093 0.000 0.777 312 G HN 0.374 nan 8.290 nan 0.000 0.539 313 F N 1.702 121.656 119.950 0.008 0.000 2.171 313 F HA 0.036 4.563 4.527 -0.000 0.000 0.300 313 F C 2.283 178.108 175.800 0.041 0.000 1.090 313 F CA 0.382 58.399 58.000 0.028 0.000 1.293 313 F CB -0.578 38.431 39.000 0.016 0.000 1.013 313 F HN 0.116 nan 8.300 nan 0.000 0.486 314 D N -0.647 119.877 120.400 0.207 0.000 2.224 314 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 314 D C 2.204 178.610 176.300 0.178 0.000 0.965 314 D CA 1.308 55.397 54.000 0.150 0.000 0.852 314 D CB -0.300 40.536 40.800 0.061 0.000 0.947 314 D HN 0.199 nan 8.370 nan 0.000 0.494 315 T N 1.122 115.774 114.554 0.163 0.000 2.812 315 T HA -0.105 4.245 4.350 -0.000 0.000 0.264 315 T C 1.897 176.765 174.700 0.280 0.000 1.042 315 T CA 0.342 62.578 62.100 0.227 0.000 1.140 315 T CB -0.185 68.769 68.868 0.143 0.000 0.870 315 T HN 0.040 nan 8.240 nan 0.000 0.445 316 L N 1.541 122.889 121.223 0.208 0.000 2.083 316 L HA 0.106 4.446 4.340 -0.000 0.000 0.209 316 L C 2.549 179.539 176.870 0.201 0.000 1.083 316 L CA 1.683 56.624 54.840 0.168 0.000 0.752 316 L CB -0.985 41.159 42.059 0.141 0.000 0.899 316 L HN 0.215 nan 8.230 nan 0.000 0.433 317 A N -1.248 121.692 122.820 0.201 0.000 1.902 317 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 317 A C 2.120 179.845 177.584 0.235 0.000 1.181 317 A CA 1.679 53.823 52.037 0.179 0.000 0.623 317 A CB -1.402 17.694 19.000 0.159 0.000 0.818 317 A HN 0.732 nan 8.150 nan 0.000 0.443 318 W N 0.357 121.716 121.300 0.099 0.000 2.379 318 W HA -0.178 4.481 4.660 -0.000 0.000 0.307 318 W C 2.255 178.841 176.519 0.112 0.000 1.200 318 W CA 1.891 59.289 57.345 0.089 0.000 1.297 318 W CB -0.724 28.782 29.460 0.076 0.000 1.140 318 W HN 0.626 nan 8.180 nan 0.000 0.507 319 H N 0.170 119.191 119.070 -0.082 0.000 2.319 319 H HA -0.175 4.381 4.556 -0.000 0.000 0.297 319 H C 1.351 176.570 175.328 -0.180 0.000 1.097 319 H CA 2.416 58.314 56.048 -0.250 0.000 1.285 319 H CB -0.536 29.187 29.762 -0.065 0.000 1.368 319 H HN 0.063 nan 8.280 nan 0.000 0.495 320 D N 0.205 120.664 120.400 0.098 0.000 2.178 320 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 320 D C 2.598 178.869 176.300 -0.048 0.000 0.974 320 D CA 0.553 54.578 54.000 0.041 0.000 0.841 320 D CB -0.199 40.665 40.800 0.107 0.000 0.953 320 D HN 0.390 nan 8.370 nan 0.000 0.478 321 R N 0.275 120.752 120.500 -0.039 0.000 2.066 321 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 321 R C 2.331 178.569 176.300 -0.104 0.000 1.131 321 R CA 0.755 56.839 56.100 -0.026 0.000 0.955 321 R CB -0.458 29.872 30.300 0.050 0.000 0.851 321 R HN 0.094 nan 8.270 nan 0.000 0.432 322 V N 1.462 121.234 119.914 -0.237 0.000 2.343 322 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 322 V C 2.230 178.174 176.094 -0.250 0.000 1.051 322 V CA 1.442 63.578 62.300 -0.273 0.000 1.036 322 V CB -0.449 31.096 31.823 -0.465 0.000 0.654 322 V HN 0.233 nan 8.190 nan 0.000 0.451 323 L N 0.026 121.063 121.223 -0.310 0.000 2.083 323 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 323 L C 2.444 179.227 176.870 -0.145 0.000 1.083 323 L CA 2.345 57.029 54.840 -0.260 0.000 0.752 323 L CB -0.982 40.876 42.059 -0.335 0.000 0.899 323 L HN 0.337 nan 8.230 nan 0.000 0.433 324 T N -0.173 114.321 114.554 -0.099 0.000 2.788 324 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 324 T C 1.965 176.646 174.700 -0.032 0.000 1.044 324 T CA 1.929 64.004 62.100 -0.042 0.000 1.139 324 T CB -0.280 68.605 68.868 0.029 0.000 0.867 324 T HN 0.317 nan 8.240 nan 0.000 0.454 325 I N 0.654 121.192 120.570 -0.053 0.000 2.202 325 I HA -0.137 4.033 4.170 -0.000 0.000 0.242 325 I C 2.722 178.785 176.117 -0.091 0.000 1.091 325 I CA 1.261 62.526 61.300 -0.059 0.000 1.368 325 I CB -0.298 37.643 38.000 -0.098 0.000 1.058 325 I HN 0.198 nan 8.210 nan 0.000 0.410 326 E N 1.310 121.434 120.200 -0.126 0.000 2.051 326 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 326 E C 2.038 178.585 176.600 -0.089 0.000 0.991 326 E CA 1.337 57.665 56.400 -0.120 0.000 0.799 326 E CB -0.293 29.331 29.700 -0.126 0.000 0.748 326 E HN 0.306 nan 8.360 nan 0.000 0.449 327 L N 0.978 122.147 121.223 -0.090 0.000 2.042 327 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 327 L C 1.228 178.047 176.870 -0.086 0.000 1.076 327 L CA 1.853 56.641 54.840 -0.086 0.000 0.749 327 L CB -0.434 41.567 42.059 -0.098 0.000 0.893 327 L HN 0.153 nan 8.230 nan 0.000 0.432 328 N N -0.106 118.544 118.700 -0.084 0.000 2.322 328 N HA 0.191 4.931 4.740 -0.000 0.000 0.194 328 N C 0.330 175.824 175.510 -0.028 0.000 1.126 328 N CA 0.631 53.645 53.050 -0.060 0.000 0.845 328 N CB 0.209 38.679 38.487 -0.028 0.000 0.976 328 N HN 0.433 nan 8.380 nan 0.000 0.475 329 A N 0.232 123.026 122.820 -0.044 0.000 2.248 329 A HA 0.584 4.904 4.320 -0.000 0.000 0.316 329 A C -0.004 177.557 177.584 -0.038 0.000 1.101 329 A CA -0.399 51.612 52.037 -0.044 0.000 0.875 329 A CB 1.017 19.975 19.000 -0.070 0.000 1.207 329 A HN -0.041 nan 8.150 nan 0.000 0.504 330 V N 1.253 121.144 119.914 -0.038 0.000 2.311 330 V HA 0.298 4.418 4.120 -0.000 0.000 0.275 330 V C 0.881 176.952 176.094 -0.039 0.000 1.022 330 V CA 0.403 62.685 62.300 -0.030 0.000 0.830 330 V CB 0.620 32.427 31.823 -0.027 0.000 1.012 330 V HN 1.033 nan 8.190 nan 0.000 0.452 331 T N -0.704 113.837 114.554 -0.022 0.000 3.186 331 T HA 0.198 4.548 4.350 -0.000 0.000 0.257 331 T C 0.165 174.885 174.700 0.033 0.000 1.029 331 T CA -0.536 61.557 62.100 -0.012 0.000 0.916 331 T CB -0.348 68.523 68.868 0.004 0.000 1.041 331 T HN 0.538 nan 8.240 nan 0.000 0.562 332 D N 2.522 122.933 120.400 0.018 0.000 2.357 332 D HA 0.492 5.132 4.640 -0.000 0.000 0.242 332 D C -0.085 176.232 176.300 0.028 0.000 1.153 332 D CA 0.071 54.094 54.000 0.039 0.000 0.918 332 D CB 0.477 41.282 40.800 0.007 0.000 1.181 332 D HN 0.327 nan 8.370 nan 0.000 0.435 333 N N 0.182 118.927 118.700 0.075 0.000 2.503 333 N HA 0.288 5.028 4.740 -0.000 0.000 0.287 333 N C -2.924 172.603 175.510 0.029 0.000 1.096 333 N CA -1.379 51.691 53.050 0.033 0.000 0.936 333 N CB 1.846 40.487 38.487 0.257 0.000 1.570 333 N HN 0.024 nan 8.380 nan 0.000 0.504 334 P HA 0.306 nan 4.420 nan 0.000 0.277 334 P C -0.885 176.080 177.300 -0.559 0.000 1.271 334 P CA -0.440 62.378 63.100 -0.470 0.000 0.795 334 P CB 0.957 32.195 31.700 -0.769 0.000 1.101 335 V N -3.536 115.966 119.914 -0.686 0.000 2.962 335 V HA 0.631 4.751 4.120 -0.000 0.000 0.313 335 V C -1.037 174.582 176.094 -0.792 0.000 1.099 335 V CA -0.946 60.983 62.300 -0.618 0.000 0.971 335 V CB 1.646 33.307 31.823 -0.269 0.000 1.028 335 V HN 0.219 nan 8.190 nan 0.000 0.430 336 F N 2.152 122.085 119.950 -0.028 0.000 2.325 336 F HA 0.615 5.142 4.527 -0.000 0.000 0.369 336 F C -2.407 173.387 175.800 -0.011 0.000 1.095 336 F CA -2.600 55.391 58.000 -0.015 0.000 1.082 336 F CB 1.337 40.334 39.000 -0.004 0.000 1.289 336 F HN 0.294 nan 8.300 nan 0.000 0.462 337 P HA 0.015 nan 4.420 nan 0.000 0.258 337 P C -1.997 175.346 177.300 0.072 0.000 1.187 337 P CA -0.663 62.470 63.100 0.056 0.000 0.767 337 P CB 0.437 32.158 31.700 0.035 0.000 0.770 338 P HA -0.189 nan 4.420 nan 0.000 0.219 338 P C 0.923 178.244 177.300 0.035 0.000 1.146 338 P CA 1.348 64.475 63.100 0.045 0.000 0.808 338 P CB -0.087 31.632 31.700 0.033 0.000 0.779 339 D N -1.525 118.892 120.400 0.029 0.000 2.347 339 D HA -0.002 4.638 4.640 -0.000 0.000 0.215 339 D C 1.493 177.809 176.300 0.027 0.000 0.976 339 D CA 1.027 55.041 54.000 0.023 0.000 0.884 339 D CB -1.204 39.606 40.800 0.017 0.000 0.915 339 D HN 0.198 nan 8.370 nan 0.000 0.526 340 G N 0.173 108.996 108.800 0.038 0.000 2.155 340 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.257 340 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.257 340 G C 1.222 176.145 174.900 0.038 0.000 0.983 340 G CA 1.227 46.352 45.100 0.042 0.000 0.676 340 G HN 0.644 nan 8.290 nan 0.000 0.528 341 S N -1.295 114.425 115.700 0.032 0.000 2.359 341 S HA 0.154 4.624 4.470 -0.000 0.000 0.224 341 S C 1.270 175.890 174.600 0.033 0.000 1.035 341 S CA 1.987 60.203 58.200 0.027 0.000 1.018 341 S CB -0.518 62.694 63.200 0.019 0.000 0.876 341 S HN 2.022 nan 8.310 nan 0.000 0.448 342 V N -3.089 116.850 119.914 0.042 0.000 3.040 342 V HA 0.578 4.698 4.120 -0.000 0.000 0.312 342 V C -2.453 173.689 176.094 0.079 0.000 1.115 342 V CA -2.207 60.124 62.300 0.052 0.000 0.998 342 V CB 1.264 33.113 31.823 0.043 0.000 1.042 342 V HN -0.097 nan 8.190 nan 0.000 0.433 343 P HA 0.218 nan 4.420 nan 0.000 0.217 343 P C 0.263 177.698 177.300 0.224 0.000 1.150 343 P CA 2.049 65.238 63.100 0.149 0.000 0.832 343 P CB 0.185 31.969 31.700 0.140 0.000 0.787 344 A N -1.897 121.006 122.820 0.138 0.000 2.608 344 A HA 0.630 4.950 4.320 -0.000 0.000 0.292 344 A C -1.850 175.699 177.584 -0.059 0.000 1.066 344 A CA -0.554 51.482 52.037 -0.001 0.000 0.676 344 A CB 0.463 19.448 19.000 -0.025 0.000 1.277 344 A HN -0.058 nan 8.150 nan 0.000 0.413 345 L N 1.197 122.291 121.223 -0.215 0.000 2.346 345 L HA 0.612 4.952 4.340 -0.000 0.000 0.274 345 L C -0.986 175.713 176.870 -0.284 0.000 1.007 345 L CA -0.677 54.081 54.840 -0.136 0.000 0.818 345 L CB 2.098 44.087 42.059 -0.117 0.000 1.284 345 L HN 0.834 nan 8.230 nan 0.000 0.424 346 H N 1.141 120.149 119.070 -0.104 0.000 2.539 346 H HA 0.742 5.298 4.556 -0.000 0.000 0.332 346 H C 0.152 175.423 175.328 -0.095 0.000 1.031 346 H CA -0.156 55.832 56.048 -0.100 0.000 1.206 346 H CB 1.968 31.672 29.762 -0.097 0.000 1.446 346 H HN 0.748 nan 8.280 nan 0.000 0.496 347 G N 0.726 109.510 108.800 -0.026 0.000 2.793 347 G HA2 0.443 4.403 3.960 -0.000 0.000 0.248 347 G HA3 0.443 4.403 3.960 -0.000 0.000 0.248 347 G C -0.251 174.523 174.900 -0.209 0.000 1.198 347 G CA -0.288 44.757 45.100 -0.092 0.000 0.865 347 G HN 0.654 nan 8.290 nan 0.000 0.534 348 G N 0.034 108.586 108.800 -0.414 0.000 4.716 348 G HA2 0.286 4.246 3.960 -0.000 0.000 0.282 348 G HA3 0.286 4.246 3.960 -0.000 0.000 0.282 348 G C 0.275 174.563 174.900 -1.021 0.000 1.173 348 G CA -0.127 44.361 45.100 -1.020 0.000 0.913 348 G HN 0.263 nan 8.290 nan 0.000 0.566 349 N N 0.891 119.216 118.700 -0.624 0.000 2.609 349 N HA -0.050 4.690 4.740 -0.000 0.000 0.190 349 N C 1.508 176.854 175.510 -0.273 0.000 1.157 349 N CA 0.379 53.217 53.050 -0.353 0.000 0.918 349 N CB -0.156 38.217 38.487 -0.189 0.000 0.978 349 N HN 0.632 nan 8.380 nan 0.000 0.448 350 F N -1.162 118.769 119.950 -0.032 0.000 2.789 350 F HA 0.326 4.853 4.527 -0.000 0.000 0.300 350 F C 0.822 176.618 175.800 -0.006 0.000 1.132 350 F CA -0.777 57.211 58.000 -0.021 0.000 1.404 350 F CB -0.714 38.272 39.000 -0.023 0.000 1.114 350 F HN -0.168 nan 8.300 nan 0.000 0.584 351 M N 2.741 122.292 119.600 -0.082 0.000 2.350 351 M HA 0.356 4.836 4.480 -0.000 0.000 0.338 351 M C 0.978 177.317 176.300 0.065 0.000 1.559 351 M CA -0.536 54.807 55.300 0.072 0.000 1.217 351 M CB 0.175 32.736 32.600 -0.065 0.000 1.808 351 M HN 0.233 nan 8.290 nan 0.000 0.458 352 G N 3.455 112.315 108.800 0.100 0.000 3.452 352 G HA2 0.021 3.981 3.960 -0.000 0.000 0.258 352 G HA3 0.021 3.981 3.960 -0.000 0.000 0.258 352 G C 0.693 175.628 174.900 0.058 0.000 1.305 352 G CA -0.178 44.966 45.100 0.073 0.000 1.514 352 G HN 0.815 nan 8.290 nan 0.000 0.593 353 Q N -0.040 119.790 119.800 0.050 0.000 2.167 353 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 353 Q C 1.925 177.891 176.000 -0.056 0.000 0.970 353 Q CA 1.431 57.230 55.803 -0.007 0.000 0.855 353 Q CB -0.118 28.592 28.738 -0.046 0.000 0.911 353 Q HN 0.723 nan 8.270 nan 0.000 0.438 354 H N -1.766 117.280 119.070 -0.041 0.000 2.326 354 H HA -0.059 4.497 4.556 -0.000 0.000 0.301 354 H C 1.792 177.038 175.328 -0.136 0.000 1.081 354 H CA 1.745 57.742 56.048 -0.085 0.000 1.334 354 H CB 0.025 29.724 29.762 -0.106 0.000 1.385 354 H HN 0.068 nan 8.280 nan 0.000 0.504 355 V N 0.477 120.396 119.914 0.009 0.000 2.515 355 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 355 V C 2.472 178.554 176.094 -0.020 0.000 1.058 355 V CA 1.368 63.635 62.300 -0.054 0.000 1.064 355 V CB -0.871 30.933 31.823 -0.032 0.000 0.675 355 V HN 0.564 nan 8.190 nan 0.000 0.461 356 A N 0.053 122.874 122.820 0.003 0.000 1.858 356 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 356 A C 2.198 179.796 177.584 0.024 0.000 1.190 356 A CA 1.773 53.822 52.037 0.021 0.000 0.617 356 A CB -0.514 18.500 19.000 0.024 0.000 0.827 356 A HN 0.483 nan 8.150 nan 0.000 0.443 357 L N -0.117 121.109 121.223 0.006 0.000 2.093 357 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 357 L C 2.979 179.898 176.870 0.082 0.000 1.085 357 L CA 1.792 56.666 54.840 0.058 0.000 0.755 357 L CB -0.907 41.198 42.059 0.077 0.000 0.904 357 L HN 0.666 nan 8.230 nan 0.000 0.435 358 T N -4.680 109.823 114.554 -0.086 0.000 2.904 358 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 358 T C 2.022 176.802 174.700 0.135 0.000 1.059 358 T CA 1.215 63.217 62.100 -0.163 0.000 1.137 358 T CB -0.193 68.356 68.868 -0.533 0.000 0.879 358 T HN 0.115 nan 8.240 nan 0.000 0.467 359 S N 1.622 117.395 115.700 0.122 0.000 2.368 359 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 359 S C 1.845 176.512 174.600 0.111 0.000 1.029 359 S CA 1.182 59.477 58.200 0.159 0.000 0.988 359 S CB -0.522 62.746 63.200 0.114 0.000 0.838 359 S HN 0.517 nan 8.310 nan 0.000 0.462 360 D N 1.636 122.094 120.400 0.097 0.000 2.117 360 D HA 0.007 4.646 4.640 -0.000 0.000 0.197 360 D C 2.102 178.459 176.300 0.094 0.000 0.987 360 D CA 1.179 55.229 54.000 0.083 0.000 0.829 360 D CB -0.404 40.439 40.800 0.072 0.000 0.961 360 D HN 0.373 nan 8.370 nan 0.000 0.460 361 A N 0.634 123.546 122.820 0.153 0.000 1.898 361 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 361 A C 2.137 179.796 177.584 0.125 0.000 1.181 361 A CA 0.902 53.047 52.037 0.180 0.000 0.620 361 A CB -0.661 18.569 19.000 0.383 0.000 0.819 361 A HN 0.243 nan 8.150 nan 0.000 0.442 362 L N -0.172 121.122 121.223 0.118 0.000 2.046 362 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 362 L C 2.637 179.499 176.870 -0.013 0.000 1.077 362 L CA 2.079 56.935 54.840 0.026 0.000 0.747 362 L CB -0.816 41.188 42.059 -0.092 0.000 0.896 362 L HN 0.340 nan 8.230 nan 0.000 0.432 363 A N -1.538 121.288 122.820 0.010 0.000 1.908 363 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 363 A C 2.268 179.830 177.584 -0.037 0.000 1.181 363 A CA 2.369 54.403 52.037 -0.006 0.000 0.627 363 A CB -1.212 17.801 19.000 0.022 0.000 0.818 363 A HN 0.513 nan 8.150 nan 0.000 0.445 364 T N 0.187 114.729 114.554 -0.020 0.000 2.708 364 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 364 T C 2.244 176.889 174.700 -0.091 0.000 1.037 364 T CA 1.561 63.636 62.100 -0.042 0.000 1.146 364 T CB -0.460 68.398 68.868 -0.016 0.000 0.865 364 T HN 0.607 nan 8.240 nan 0.000 0.435 365 A N 0.958 123.726 122.820 -0.087 0.000 1.902 365 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 365 A C 2.578 179.993 177.584 -0.282 0.000 1.181 365 A CA 1.342 53.294 52.037 -0.142 0.000 0.623 365 A CB -1.046 17.906 19.000 -0.081 0.000 0.818 365 A HN 0.352 nan 8.150 nan 0.000 0.443 366 V N -0.240 119.495 119.914 -0.298 0.000 2.407 366 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 366 V C 2.735 178.505 176.094 -0.540 0.000 1.055 366 V CA 2.454 64.431 62.300 -0.539 0.000 1.049 366 V CB -1.129 30.542 31.823 -0.252 0.000 0.662 366 V HN 0.626 nan 8.190 nan 0.000 0.455 367 T N -0.297 114.086 114.554 -0.284 0.000 2.821 367 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 367 T C 1.939 176.503 174.700 -0.227 0.000 1.046 367 T CA 1.487 63.461 62.100 -0.209 0.000 1.139 367 T CB -0.144 68.658 68.868 -0.109 0.000 0.871 367 T HN 0.284 nan 8.240 nan 0.000 0.454 368 V N 1.204 120.982 119.914 -0.226 0.000 2.295 368 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 368 V C 2.386 178.336 176.094 -0.240 0.000 1.049 368 V CA 1.339 63.525 62.300 -0.189 0.000 1.024 368 V CB -0.547 31.180 31.823 -0.161 0.000 0.648 368 V HN 0.319 nan 8.190 nan 0.000 0.447 369 L N 0.286 121.271 121.223 -0.397 0.000 2.141 369 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 369 L C 2.533 179.181 176.870 -0.370 0.000 1.094 369 L CA 2.019 56.612 54.840 -0.412 0.000 0.763 369 L CB -1.120 40.567 42.059 -0.621 0.000 0.908 369 L HN 0.282 nan 8.230 nan 0.000 0.437 370 A N -0.584 121.886 122.820 -0.583 0.000 1.969 370 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 370 A C 2.415 179.970 177.584 -0.048 0.000 1.169 370 A CA 1.444 53.334 52.037 -0.245 0.000 0.635 370 A CB -1.177 17.699 19.000 -0.207 0.000 0.810 370 A HN 0.419 nan 8.150 nan 0.000 0.445 371 G N -0.110 108.635 108.800 -0.092 0.000 2.408 371 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 371 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 371 G C 1.466 176.365 174.900 -0.001 0.000 1.150 371 G CA 1.135 46.215 45.100 -0.034 0.000 0.776 371 G HN 0.498 nan 8.290 nan 0.000 0.542 372 L N 1.457 122.674 121.223 -0.010 0.000 2.017 372 L HA 0.132 4.472 4.340 -0.000 0.000 0.208 372 L C 3.016 179.927 176.870 0.068 0.000 1.073 372 L CA 2.331 57.187 54.840 0.027 0.000 0.745 372 L CB -0.795 41.271 42.059 0.012 0.000 0.894 372 L HN 0.213 nan 8.230 nan 0.000 0.432 373 A N -0.889 121.996 122.820 0.108 0.000 1.902 373 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 373 A C 2.329 179.971 177.584 0.096 0.000 1.181 373 A CA 1.731 53.851 52.037 0.139 0.000 0.623 373 A CB -0.788 18.355 19.000 0.238 0.000 0.818 373 A HN 0.600 nan 8.150 nan 0.000 0.443 374 E N -0.052 120.197 120.200 0.082 0.000 2.077 374 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 374 E C 2.055 178.687 176.600 0.054 0.000 0.989 374 E CA 0.865 57.303 56.400 0.064 0.000 0.800 374 E CB -0.202 29.530 29.700 0.052 0.000 0.746 374 E HN 0.380 nan 8.360 nan 0.000 0.452 375 R N 0.312 120.842 120.500 0.050 0.000 2.148 375 R HA -0.035 4.305 4.340 -0.000 0.000 0.223 375 R C 2.352 178.682 176.300 0.049 0.000 1.088 375 R CA 0.776 56.902 56.100 0.045 0.000 0.985 375 R CB -0.367 29.958 30.300 0.041 0.000 0.880 375 R HN 0.397 nan 8.270 nan 0.000 0.451 376 Q N 0.023 119.858 119.800 0.058 0.000 2.119 376 Q HA -0.028 4.312 4.340 -0.000 0.000 0.201 376 Q C 2.154 178.178 176.000 0.041 0.000 0.972 376 Q CA 1.065 56.903 55.803 0.057 0.000 0.847 376 Q CB -0.052 28.730 28.738 0.073 0.000 0.903 376 Q HN 0.308 nan 8.270 nan 0.000 0.433 377 I N 0.523 121.117 120.570 0.041 0.000 2.252 377 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 377 I C 2.393 178.537 176.117 0.046 0.000 1.102 377 I CA 0.875 62.193 61.300 0.030 0.000 1.385 377 I CB -0.380 37.642 38.000 0.036 0.000 1.064 377 I HN 0.140 nan 8.210 nan 0.000 0.414 378 A N 0.751 123.604 122.820 0.055 0.000 1.972 378 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 378 A C 2.431 180.035 177.584 0.033 0.000 1.169 378 A CA 1.833 53.906 52.037 0.061 0.000 0.635 378 A CB -0.599 18.434 19.000 0.056 0.000 0.810 378 A HN 0.397 nan 8.150 nan 0.000 0.446 379 R N -1.016 119.496 120.500 0.021 0.000 2.062 379 R HA 0.011 4.351 4.340 -0.000 0.000 0.226 379 R C 2.010 178.303 176.300 -0.013 0.000 1.125 379 R CA 1.246 57.348 56.100 0.003 0.000 0.966 379 R CB -0.387 29.921 30.300 0.014 0.000 0.861 379 R HN 0.383 nan 8.270 nan 0.000 0.433 380 L N 1.246 122.466 121.223 -0.005 0.000 2.131 380 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 380 L C 1.967 178.813 176.870 -0.039 0.000 1.092 380 L CA 2.414 57.242 54.840 -0.019 0.000 0.759 380 L CB -0.454 41.594 42.059 -0.020 0.000 0.903 380 L HN 0.439 nan 8.230 nan 0.000 0.435 381 T N -4.290 110.246 114.554 -0.030 0.000 3.081 381 T HA 0.024 4.373 4.350 -0.000 0.000 0.250 381 T C 0.747 175.262 174.700 -0.308 0.000 1.100 381 T CA -0.102 61.960 62.100 -0.063 0.000 1.038 381 T CB -0.453 68.506 68.868 0.152 0.000 0.962 381 T HN 0.248 nan 8.240 nan 0.000 0.516 382 D N 2.674 122.950 120.400 -0.207 0.000 2.339 382 D HA 0.067 4.707 4.640 -0.000 0.000 0.241 382 D C 1.313 177.491 176.300 -0.203 0.000 1.183 382 D CA -0.301 53.551 54.000 -0.247 0.000 0.859 382 D CB 1.246 41.981 40.800 -0.107 0.000 1.067 382 D HN 0.616 nan 8.370 nan 0.000 0.484 383 E N 3.229 123.278 120.200 -0.252 0.000 2.331 383 E HA -0.201 4.149 4.350 -0.000 0.000 0.199 383 E C 1.016 177.565 176.600 -0.085 0.000 1.008 383 E CA 0.808 57.122 56.400 -0.144 0.000 0.843 383 E CB 0.100 29.726 29.700 -0.123 0.000 0.761 383 E HN 0.367 nan 8.360 nan 0.000 0.507 384 R N -0.033 120.419 120.500 -0.080 0.000 2.246 384 R HA 0.203 4.543 4.340 -0.000 0.000 0.199 384 R C 1.758 178.032 176.300 -0.043 0.000 0.984 384 R CA 0.446 56.517 56.100 -0.049 0.000 1.015 384 R CB 0.236 30.513 30.300 -0.038 0.000 0.930 384 R HN 0.258 nan 8.270 nan 0.000 0.475 385 L N 0.222 121.415 121.223 -0.051 0.000 2.781 385 L HA 0.125 4.465 4.340 -0.000 0.000 0.245 385 L C 0.553 177.402 176.870 -0.035 0.000 1.118 385 L CA -0.076 54.741 54.840 -0.038 0.000 0.918 385 L CB 0.176 42.215 42.059 -0.034 0.000 1.246 385 L HN 0.131 nan 8.230 nan 0.000 0.526 386 N N 0.810 119.483 118.700 -0.046 0.000 2.322 386 N HA -0.031 4.709 4.740 -0.000 0.000 0.216 386 N C 0.023 175.515 175.510 -0.029 0.000 1.144 386 N CA -0.319 52.708 53.050 -0.037 0.000 0.830 386 N CB -0.175 38.282 38.487 -0.050 0.000 1.034 386 N HN 0.058 nan 8.380 nan 0.000 0.484 387 R N -0.325 120.159 120.500 -0.027 0.000 3.188 387 R HA -0.173 4.167 4.340 -0.000 0.000 0.247 387 R C 0.784 177.072 176.300 -0.020 0.000 0.918 387 R CA 0.511 56.598 56.100 -0.021 0.000 0.629 387 R CB -2.103 28.186 30.300 -0.017 0.000 1.087 387 R HN 0.634 nan 8.270 nan 0.000 0.462 388 G N -0.935 107.851 108.800 -0.022 0.000 2.175 388 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.244 388 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.244 388 G C 0.262 175.150 174.900 -0.020 0.000 0.982 388 G CA 0.095 45.184 45.100 -0.018 0.000 0.641 388 G HN 0.281 nan 8.290 nan 0.000 0.527 389 L N 1.403 122.610 121.223 -0.026 0.000 2.439 389 L HA 0.435 4.775 4.340 -0.000 0.000 0.261 389 L C -1.595 175.257 176.870 -0.031 0.000 1.153 389 L CA -2.080 52.743 54.840 -0.028 0.000 0.808 389 L CB 0.671 42.714 42.059 -0.026 0.000 1.126 389 L HN -0.094 nan 8.230 nan 0.000 0.460 390 P HA 0.047 nan 4.420 nan 0.000 0.269 390 P C -2.493 174.828 177.300 0.035 0.000 1.209 390 P CA -0.906 62.184 63.100 -0.017 0.000 0.776 390 P CB -0.186 31.393 31.700 -0.202 0.000 0.876 391 P HA 0.005 nan 4.420 nan 0.000 0.267 391 P C -0.245 177.092 177.300 0.061 0.000 1.209 391 P CA 0.316 63.348 63.100 -0.113 0.000 0.763 391 P CB -0.142 31.528 31.700 -0.050 0.000 0.816 392 F N 1.564 121.612 119.950 0.162 0.000 3.034 392 F HA -0.243 4.284 4.527 -0.000 0.000 0.286 392 F C 1.310 177.282 175.800 0.288 0.000 0.804 392 F CA 0.339 58.459 58.000 0.200 0.000 1.161 392 F CB -2.652 36.455 39.000 0.179 0.000 1.317 392 F HN 0.272 nan 8.300 nan 0.000 0.453 393 L N -1.683 119.705 121.223 0.276 0.000 3.839 393 L HA -0.314 4.026 4.340 -0.000 0.000 0.416 393 L C 1.323 178.349 176.870 0.261 0.000 1.195 393 L CA 1.031 56.011 54.840 0.233 0.000 0.946 393 L CB -1.992 40.217 42.059 0.250 0.000 1.891 393 L HN 0.699 nan 8.230 nan 0.000 0.963 394 H N 0.491 119.686 119.070 0.207 0.000 2.671 394 H HA 0.651 5.207 4.556 -0.000 0.000 0.372 394 H C 0.266 175.651 175.328 0.094 0.000 1.227 394 H CA -0.402 55.725 56.048 0.133 0.000 1.426 394 H CB 0.851 30.681 29.762 0.113 0.000 1.480 394 H HN 0.295 nan 8.280 nan 0.000 0.611 395 R N -0.090 120.429 120.500 0.031 0.000 2.854 395 R HA 0.481 4.821 4.340 -0.000 0.000 0.271 395 R C -0.356 176.043 176.300 0.165 0.000 0.994 395 R CA -0.243 55.846 56.100 -0.018 0.000 0.945 395 R CB 2.159 32.467 30.300 0.012 0.000 1.194 395 R HN 1.113 nan 8.270 nan 0.000 0.476 396 G N 1.585 110.457 108.800 0.120 0.000 2.796 396 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.571 396 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.571 396 G C -2.751 172.278 174.900 0.216 0.000 1.370 396 G CA -1.275 43.907 45.100 0.136 0.000 0.856 396 G HN 0.381 nan 8.290 nan 0.000 0.538 397 P HA 0.436 nan 4.420 nan 0.000 0.264 397 P C 0.425 177.741 177.300 0.026 0.000 1.193 397 P CA 0.869 64.028 63.100 0.098 0.000 0.763 397 P CB 0.658 32.384 31.700 0.043 0.000 0.810 398 A N 3.584 126.403 122.820 -0.001 0.000 2.462 398 A HA 0.472 4.792 4.320 -0.000 0.000 0.243 398 A C 1.581 179.055 177.584 -0.184 0.000 1.076 398 A CA 0.862 52.698 52.037 -0.334 0.000 0.773 398 A CB -0.952 17.975 19.000 -0.122 0.000 1.010 398 A HN 0.813 nan 8.150 nan 0.000 0.493 399 G N 0.688 109.360 108.800 -0.213 0.000 3.079 399 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.214 399 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.214 399 G C 1.078 175.926 174.900 -0.086 0.000 1.335 399 G CA 0.436 45.475 45.100 -0.101 0.000 0.822 399 G HN 0.833 nan 8.290 nan 0.000 0.545 400 L N 1.052 122.233 121.223 -0.071 0.000 2.201 400 L HA 0.141 4.481 4.340 -0.000 0.000 0.212 400 L C 0.801 177.640 176.870 -0.052 0.000 1.105 400 L CA 0.918 55.731 54.840 -0.045 0.000 0.775 400 L CB -0.275 41.771 42.059 -0.021 0.000 0.913 400 L HN 0.315 nan 8.230 nan 0.000 0.440 401 N N -1.425 117.224 118.700 -0.085 0.000 2.284 401 N HA 0.213 4.953 4.740 -0.000 0.000 0.300 401 N C -0.118 175.318 175.510 -0.125 0.000 1.047 401 N CA -0.126 52.886 53.050 -0.064 0.000 0.821 401 N CB 2.143 40.653 38.487 0.038 0.000 1.337 401 N HN -0.220 nan 8.380 nan 0.000 0.482 402 S N 0.068 115.734 115.700 -0.057 0.000 2.603 402 S HA 0.256 4.726 4.470 -0.000 0.000 0.232 402 S C 1.245 175.884 174.600 0.066 0.000 1.016 402 S CA 0.042 58.220 58.200 -0.035 0.000 0.976 402 S CB 0.576 63.706 63.200 -0.118 0.000 0.921 402 S HN 0.935 nan 8.310 nan 0.000 0.516 403 G N 2.506 111.340 108.800 0.058 0.000 2.629 403 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.313 403 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.313 403 G C 0.244 175.044 174.900 -0.166 0.000 1.217 403 G CA 0.824 45.925 45.100 0.001 0.000 0.994 403 G HN 0.463 nan 8.290 nan 0.000 0.549 404 F N 1.348 121.380 119.950 0.137 0.000 2.664 404 F HA 0.474 5.001 4.527 -0.000 0.000 0.301 404 F C 2.405 178.228 175.800 0.038 0.000 1.126 404 F CA 0.900 58.954 58.000 0.090 0.000 1.373 404 F CB 0.142 39.213 39.000 0.117 0.000 1.042 404 F HN 0.322 nan 8.300 nan 0.000 0.535 405 M N 0.017 119.612 119.600 -0.008 0.000 2.108 405 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 405 M C 2.405 178.571 176.300 -0.222 0.000 1.066 405 M CA 2.232 57.258 55.300 -0.458 0.000 1.107 405 M CB -0.468 31.591 32.600 -0.900 0.000 1.356 405 M HN 0.324 nan 8.290 nan 0.000 0.406 406 G N -0.851 107.874 108.800 -0.124 0.000 2.394 406 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.215 406 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.215 406 G C 1.480 176.379 174.900 -0.002 0.000 1.165 406 G CA 0.746 45.804 45.100 -0.071 0.000 0.784 406 G HN 0.612 nan 8.290 nan 0.000 0.535 407 A N -0.008 122.847 122.820 0.059 0.000 1.940 407 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 407 A C 2.272 179.918 177.584 0.104 0.000 1.176 407 A CA 2.047 54.150 52.037 0.111 0.000 0.631 407 A CB -0.416 18.728 19.000 0.240 0.000 0.814 407 A HN 0.389 nan 8.150 nan 0.000 0.446 408 Q N 0.080 119.954 119.800 0.123 0.000 2.084 408 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 408 Q C 2.089 178.133 176.000 0.074 0.000 0.978 408 Q CA 2.019 57.893 55.803 0.118 0.000 0.844 408 Q CB -0.287 28.567 28.738 0.194 0.000 0.898 408 Q HN 0.433 nan 8.270 nan 0.000 0.426 409 V N 0.541 120.479 119.914 0.040 0.000 2.427 409 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 409 V C 2.372 178.481 176.094 0.025 0.000 1.051 409 V CA 2.020 64.333 62.300 0.023 0.000 1.048 409 V CB -0.847 30.970 31.823 -0.009 0.000 0.666 409 V HN 0.373 nan 8.190 nan 0.000 0.456 410 T N 0.433 115.003 114.554 0.026 0.000 2.746 410 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 410 T C 2.077 176.797 174.700 0.033 0.000 1.039 410 T CA 1.661 63.776 62.100 0.025 0.000 1.142 410 T CB -0.391 68.492 68.868 0.025 0.000 0.866 410 T HN 0.579 nan 8.240 nan 0.000 0.444 411 A N 1.169 124.015 122.820 0.043 0.000 1.908 411 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 411 A C 2.552 180.163 177.584 0.045 0.000 1.181 411 A CA 2.181 54.246 52.037 0.047 0.000 0.627 411 A CB -1.244 17.788 19.000 0.053 0.000 0.818 411 A HN 0.483 nan 8.150 nan 0.000 0.445 412 T N 0.279 114.859 114.554 0.042 0.000 2.746 412 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 412 T C 2.209 176.926 174.700 0.029 0.000 1.039 412 T CA 1.559 63.681 62.100 0.036 0.000 1.142 412 T CB -0.446 68.443 68.868 0.036 0.000 0.866 412 T HN 0.608 nan 8.240 nan 0.000 0.444 413 A N 1.210 124.045 122.820 0.026 0.000 1.933 413 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 413 A C 2.295 179.893 177.584 0.024 0.000 1.175 413 A CA 1.160 53.209 52.037 0.021 0.000 0.628 413 A CB -0.800 18.210 19.000 0.017 0.000 0.814 413 A HN 0.479 nan 8.150 nan 0.000 0.444 414 L N -1.180 120.061 121.223 0.030 0.000 2.056 414 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 414 L C 2.555 179.447 176.870 0.035 0.000 1.078 414 L CA 1.139 56.000 54.840 0.035 0.000 0.749 414 L CB -0.553 41.532 42.059 0.044 0.000 0.901 414 L HN 0.468 nan 8.230 nan 0.000 0.433 415 L N 0.337 121.581 121.223 0.035 0.000 2.017 415 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 415 L C 2.654 179.533 176.870 0.015 0.000 1.073 415 L CA 1.980 56.835 54.840 0.024 0.000 0.745 415 L CB -0.712 41.360 42.059 0.023 0.000 0.894 415 L HN 0.135 nan 8.230 nan 0.000 0.432 416 A N -0.810 122.020 122.820 0.016 0.000 1.908 416 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 416 A C 2.338 179.929 177.584 0.012 0.000 1.181 416 A CA 1.949 53.994 52.037 0.012 0.000 0.627 416 A CB -0.770 18.238 19.000 0.013 0.000 0.818 416 A HN 0.646 nan 8.150 nan 0.000 0.445 417 E N -0.704 119.505 120.200 0.016 0.000 2.106 417 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 417 E C 2.044 178.654 176.600 0.016 0.000 0.984 417 E CA 1.249 57.659 56.400 0.016 0.000 0.806 417 E CB -0.199 29.512 29.700 0.019 0.000 0.750 417 E HN 0.676 nan 8.360 nan 0.000 0.458 418 M N 0.016 119.626 119.600 0.017 0.000 2.108 418 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 418 M C 2.323 178.626 176.300 0.005 0.000 1.066 418 M CA 1.576 56.884 55.300 0.013 0.000 1.107 418 M CB -0.195 32.409 32.600 0.007 0.000 1.356 418 M HN 0.016 nan 8.290 nan 0.000 0.406 419 R N 0.086 120.587 120.500 0.002 0.000 2.193 419 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 419 R C 2.190 178.494 176.300 0.007 0.000 1.110 419 R CA 1.137 57.237 56.100 -0.000 0.000 0.988 419 R CB -0.462 29.837 30.300 -0.002 0.000 0.871 419 R HN 0.380 nan 8.270 nan 0.000 0.458 420 A N 0.531 123.357 122.820 0.010 0.000 2.067 420 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 420 A C 0.786 178.381 177.584 0.017 0.000 1.158 420 A CA 0.904 52.949 52.037 0.013 0.000 0.661 420 A CB 0.095 19.101 19.000 0.011 0.000 0.801 420 A HN 0.105 nan 8.150 nan 0.000 0.452 421 T N 0.108 114.673 114.554 0.019 0.000 2.771 421 T HA 0.552 4.901 4.350 -0.000 0.000 0.281 421 T C 0.451 175.173 174.700 0.036 0.000 0.982 421 T CA 0.059 62.175 62.100 0.028 0.000 0.978 421 T CB 1.525 70.408 68.868 0.026 0.000 0.930 421 T HN 0.369 nan 8.240 nan 0.000 0.447 422 G N 3.019 111.853 108.800 0.057 0.000 2.828 422 G HA2 0.672 4.632 3.960 -0.000 0.000 0.244 422 G HA3 0.672 4.632 3.960 -0.000 0.000 0.244 422 G C -2.639 172.309 174.900 0.081 0.000 1.365 422 G CA -1.593 43.544 45.100 0.063 0.000 1.041 422 G HN 0.439 nan 8.290 nan 0.000 0.560 423 P HA 0.257 nan 4.420 nan 0.000 0.266 423 P C 0.342 177.708 177.300 0.110 0.000 1.195 423 P CA 0.373 63.510 63.100 0.061 0.000 0.768 423 P CB 1.331 33.042 31.700 0.020 0.000 0.838 424 A N 2.121 125.007 122.820 0.111 0.000 1.984 424 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 424 A C 2.045 179.702 177.584 0.122 0.000 1.173 424 A CA 1.071 53.212 52.037 0.172 0.000 0.673 424 A CB -1.014 18.055 19.000 0.114 0.000 0.830 424 A HN 0.480 nan 8.150 nan 0.000 0.453 425 S N 0.610 116.337 115.700 0.044 0.000 2.419 425 S HA -0.176 4.294 4.470 -0.000 0.000 0.235 425 S C 1.663 176.231 174.600 -0.054 0.000 1.019 425 S CA 1.530 59.735 58.200 0.008 0.000 0.982 425 S CB -0.694 62.510 63.200 0.007 0.000 0.789 425 S HN 0.797 nan 8.310 nan 0.000 0.490 426 I N -1.326 119.139 120.570 -0.175 0.000 3.444 426 I HA 0.069 4.239 4.170 -0.000 0.000 0.287 426 I C 0.685 176.579 176.117 -0.372 0.000 1.302 426 I CA 0.912 62.042 61.300 -0.282 0.000 1.368 426 I CB -0.332 37.455 38.000 -0.354 0.000 1.048 426 I HN 0.153 nan 8.210 nan 0.000 0.487 427 H N 1.182 120.263 119.070 0.018 0.000 2.524 427 H HA 0.315 4.871 4.556 -0.000 0.000 0.299 427 H C 0.609 175.949 175.328 0.019 0.000 1.074 427 H CA -0.235 55.823 56.048 0.018 0.000 1.115 427 H CB 0.117 29.890 29.762 0.017 0.000 1.522 427 H HN 0.307 nan 8.280 nan 0.000 0.543 428 S N 1.246 116.990 115.700 0.073 0.000 2.549 428 S HA 0.205 4.675 4.470 -0.000 0.000 0.286 428 S C 0.275 174.912 174.600 0.062 0.000 1.314 428 S CA -0.227 58.011 58.200 0.063 0.000 1.062 428 S CB 0.002 63.225 63.200 0.037 0.000 0.865 428 S HN 0.296 nan 8.310 nan 0.000 0.498 429 I N 3.353 123.958 120.570 0.059 0.000 2.533 429 I HA 0.227 4.397 4.170 -0.000 0.000 0.290 429 I C 0.070 176.212 176.117 0.042 0.000 1.056 429 I CA -0.647 60.682 61.300 0.049 0.000 1.057 429 I CB 2.137 40.167 38.000 0.050 0.000 1.240 429 I HN 0.579 nan 8.210 nan 0.000 0.423 430 S N 3.943 119.665 115.700 0.036 0.000 2.525 430 S HA 0.274 4.744 4.470 -0.000 0.000 0.285 430 S C -0.210 174.410 174.600 0.033 0.000 1.283 430 S CA 0.399 58.619 58.200 0.034 0.000 1.072 430 S CB 0.287 63.505 63.200 0.029 0.000 0.867 430 S HN 0.773 nan 8.310 nan 0.000 0.492 431 T N 3.073 117.648 114.554 0.035 0.000 2.696 431 T HA 0.416 4.766 4.350 -0.000 0.000 0.291 431 T C -0.395 174.325 174.700 0.033 0.000 1.095 431 T CA -0.129 61.990 62.100 0.032 0.000 1.026 431 T CB 0.810 69.698 68.868 0.033 0.000 1.390 431 T HN 0.915 nan 8.240 nan 0.000 0.513 432 N N 0.626 119.345 118.700 0.031 0.000 2.727 432 N HA -0.222 4.518 4.740 -0.000 0.000 0.251 432 N C 0.302 175.830 175.510 0.031 0.000 1.040 432 N CA 0.802 53.872 53.050 0.032 0.000 0.712 432 N CB -1.185 37.325 38.487 0.038 0.000 0.912 432 N HN 1.572 nan 8.380 nan 0.000 0.545 433 A N -0.561 122.274 122.820 0.025 0.000 2.822 433 A HA 0.003 4.323 4.320 -0.000 0.000 0.287 433 A C 1.331 178.931 177.584 0.025 0.000 1.479 433 A CA 2.083 54.134 52.037 0.023 0.000 0.779 433 A CB -2.281 16.732 19.000 0.021 0.000 1.022 433 A HN 2.269 nan 8.150 nan 0.000 0.532 434 A N -2.461 120.375 122.820 0.027 0.000 3.396 434 A HA -0.360 3.960 4.320 -0.000 0.000 0.267 434 A C 1.379 178.983 177.584 0.033 0.000 1.139 434 A CA 2.027 54.081 52.037 0.028 0.000 1.115 434 A CB -2.540 16.474 19.000 0.024 0.000 1.133 434 A HN 2.200 nan 8.150 nan 0.000 0.920 435 N N 0.018 118.740 118.700 0.037 0.000 2.142 435 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 435 N C 0.997 176.536 175.510 0.049 0.000 1.023 435 N CA 1.867 54.943 53.050 0.043 0.000 0.852 435 N CB -0.162 38.355 38.487 0.049 0.000 0.998 435 N HN 0.752 nan 8.380 nan 0.000 0.424 436 Q N 0.568 120.397 119.800 0.048 0.000 3.091 436 Q HA 0.060 4.400 4.340 -0.000 0.000 0.301 436 Q C -0.402 175.629 176.000 0.051 0.000 1.337 436 Q CA -0.269 55.568 55.803 0.057 0.000 1.083 436 Q CB 0.521 29.288 28.738 0.048 0.000 1.477 436 Q HN 0.516 nan 8.270 nan 0.000 0.537 437 D N -0.487 119.942 120.400 0.047 0.000 2.348 437 D HA -0.080 4.560 4.640 -0.000 0.000 0.216 437 D C 0.693 177.016 176.300 0.039 0.000 0.970 437 D CA 0.429 54.452 54.000 0.039 0.000 0.889 437 D CB 0.090 40.909 40.800 0.032 0.000 0.912 437 D HN 0.206 nan 8.370 nan 0.000 0.524 438 V N -1.714 118.229 119.914 0.047 0.000 2.760 438 V HA 0.759 4.879 4.120 -0.000 0.000 0.309 438 V C -0.412 175.718 176.094 0.061 0.000 1.077 438 V CA -1.220 61.108 62.300 0.045 0.000 0.910 438 V CB 1.915 33.759 31.823 0.035 0.000 1.008 438 V HN 0.107 nan 8.190 nan 0.000 0.424 439 V N 0.962 120.911 119.914 0.058 0.000 3.007 439 V HA 0.761 4.881 4.120 -0.000 0.000 0.311 439 V C 1.063 177.194 176.094 0.061 0.000 1.120 439 V CA 0.277 62.619 62.300 0.070 0.000 0.980 439 V CB 1.416 33.278 31.823 0.065 0.000 1.033 439 V HN 1.311 nan 8.190 nan 0.000 0.429 440 S N 2.827 118.568 115.700 0.069 0.000 2.395 440 S HA 0.067 4.537 4.470 -0.000 0.000 0.225 440 S C 1.177 175.809 174.600 0.053 0.000 1.027 440 S CA 1.194 59.426 58.200 0.054 0.000 0.965 440 S CB -0.862 62.373 63.200 0.059 0.000 0.812 440 S HN 1.409 nan 8.310 nan 0.000 0.482 441 L N 0.287 121.546 121.223 0.059 0.000 4.040 441 L HA -0.196 4.144 4.340 -0.000 0.000 0.410 441 L C 1.502 178.406 176.870 0.055 0.000 1.187 441 L CA 0.027 54.903 54.840 0.060 0.000 0.956 441 L CB -2.288 39.815 42.059 0.073 0.000 2.022 441 L HN 0.542 nan 8.230 nan 0.000 0.897 442 G N -0.336 108.494 108.800 0.051 0.000 2.432 442 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 442 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 442 G C 1.281 176.208 174.900 0.044 0.000 1.135 442 G CA 1.398 46.525 45.100 0.045 0.000 0.767 442 G HN 0.477 nan 8.290 nan 0.000 0.550 443 T N 1.268 115.847 114.554 0.042 0.000 2.777 443 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 443 T C 2.376 177.100 174.700 0.041 0.000 1.040 443 T CA 0.897 63.020 62.100 0.038 0.000 1.141 443 T CB -0.111 68.776 68.868 0.031 0.000 0.868 443 T HN 0.271 nan 8.240 nan 0.000 0.444 444 I N 1.629 122.225 120.570 0.043 0.000 2.226 444 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 444 I C 3.023 179.172 176.117 0.053 0.000 1.100 444 I CA 1.044 62.371 61.300 0.045 0.000 1.374 444 I CB -0.549 37.480 38.000 0.048 0.000 1.057 444 I HN 0.209 nan 8.210 nan 0.000 0.413 445 A N 0.880 123.735 122.820 0.058 0.000 1.883 445 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 445 A C 2.544 180.167 177.584 0.065 0.000 1.186 445 A CA 2.119 54.194 52.037 0.063 0.000 0.624 445 A CB -0.936 18.101 19.000 0.061 0.000 0.822 445 A HN 0.440 nan 8.150 nan 0.000 0.444 446 A N -0.541 122.318 122.820 0.065 0.000 1.933 446 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 446 A C 2.246 179.871 177.584 0.067 0.000 1.175 446 A CA 1.511 53.593 52.037 0.076 0.000 0.628 446 A CB -0.425 18.618 19.000 0.072 0.000 0.814 446 A HN 0.559 nan 8.150 nan 0.000 0.444 447 R N -0.560 119.973 120.500 0.055 0.000 2.092 447 R HA 0.029 4.369 4.340 -0.000 0.000 0.231 447 R C 1.990 178.320 176.300 0.050 0.000 1.119 447 R CA 1.291 57.420 56.100 0.050 0.000 0.970 447 R CB -0.438 29.886 30.300 0.039 0.000 0.864 447 R HN 0.498 nan 8.270 nan 0.000 0.440 448 L N -0.242 121.011 121.223 0.050 0.000 2.093 448 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 448 L C 2.747 179.648 176.870 0.051 0.000 1.085 448 L CA 0.767 55.636 54.840 0.048 0.000 0.755 448 L CB -0.519 41.569 42.059 0.049 0.000 0.904 448 L HN 0.376 nan 8.230 nan 0.000 0.435 449 C N 0.354 119.687 119.300 0.056 0.000 2.440 449 C HA -0.155 4.305 4.460 -0.000 0.000 0.278 449 C C 3.101 178.131 174.990 0.067 0.000 1.295 449 C CA 0.880 59.931 59.018 0.055 0.000 1.738 449 C CB -0.553 27.221 27.740 0.056 0.000 1.987 449 C HN 0.493 nan 8.230 nan 0.000 0.492 450 R N 1.301 121.844 120.500 0.071 0.000 2.081 450 R HA -0.078 4.261 4.340 -0.000 0.000 0.235 450 R C 2.103 178.451 176.300 0.081 0.000 1.131 450 R CA 1.997 58.145 56.100 0.081 0.000 0.960 450 R CB -0.836 29.510 30.300 0.076 0.000 0.856 450 R HN 0.539 nan 8.270 nan 0.000 0.436 451 E N 0.785 121.025 120.200 0.067 0.000 2.085 451 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 451 E C 1.865 178.510 176.600 0.074 0.000 0.994 451 E CA 1.432 57.869 56.400 0.062 0.000 0.801 451 E CB -0.138 29.590 29.700 0.048 0.000 0.743 451 E HN 0.433 nan 8.360 nan 0.000 0.453 452 K N 0.325 120.769 120.400 0.073 0.000 2.097 452 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 452 K C 2.310 178.999 176.600 0.148 0.000 1.049 452 K CA 0.814 57.149 56.287 0.080 0.000 0.933 452 K CB -0.141 32.384 32.500 0.041 0.000 0.717 452 K HN 0.092 nan 8.250 nan 0.000 0.442 453 I N 1.447 122.118 120.570 0.168 0.000 2.226 453 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 453 I C 1.572 177.810 176.117 0.202 0.000 1.100 453 I CA 1.177 62.632 61.300 0.258 0.000 1.374 453 I CB -0.233 37.886 38.000 0.198 0.000 1.057 453 I HN 0.147 nan 8.210 nan 0.000 0.413 454 D N 0.532 121.010 120.400 0.129 0.000 2.144 454 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 454 D C 2.330 178.684 176.300 0.091 0.000 0.984 454 D CA 0.902 54.954 54.000 0.086 0.000 0.834 454 D CB -0.197 40.643 40.800 0.067 0.000 0.955 454 D HN 0.192 nan 8.370 nan 0.000 0.465 455 R N -0.122 120.448 120.500 0.117 0.000 2.092 455 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 455 R C 2.128 178.538 176.300 0.183 0.000 1.119 455 R CA 0.420 56.589 56.100 0.114 0.000 0.970 455 R CB -1.004 29.353 30.300 0.096 0.000 0.864 455 R HN 0.337 nan 8.270 nan 0.000 0.440 456 W N 1.994 123.295 121.300 0.002 0.000 2.358 456 W HA -0.095 4.565 4.660 -0.000 0.000 0.303 456 W C 2.090 178.601 176.519 -0.013 0.000 1.208 456 W CA 1.396 58.742 57.345 0.002 0.000 1.274 456 W CB -0.615 28.853 29.460 0.014 0.000 1.138 456 W HN 0.135 nan 8.180 nan 0.000 0.515 457 A N 0.169 122.993 122.820 0.007 0.000 1.933 457 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 457 A C 1.869 179.372 177.584 -0.136 0.000 1.175 457 A CA 1.990 53.918 52.037 -0.182 0.000 0.628 457 A CB -0.774 18.144 19.000 -0.137 0.000 0.814 457 A HN 0.459 nan 8.150 nan 0.000 0.444 458 E N -0.373 119.803 120.200 -0.040 0.000 2.072 458 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 458 E C 1.843 178.428 176.600 -0.025 0.000 0.985 458 E CA 1.144 57.522 56.400 -0.037 0.000 0.801 458 E CB -0.249 29.452 29.700 0.002 0.000 0.750 458 E HN 0.701 nan 8.360 nan 0.000 0.452 459 I N 0.832 121.423 120.570 0.035 0.000 2.252 459 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 459 I C 2.217 178.345 176.117 0.019 0.000 1.102 459 I CA 0.966 62.304 61.300 0.062 0.000 1.385 459 I CB -0.143 37.947 38.000 0.151 0.000 1.064 459 I HN 0.112 nan 8.210 nan 0.000 0.414 460 L N 0.404 121.611 121.223 -0.026 0.000 2.131 460 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 460 L C 2.811 179.574 176.870 -0.179 0.000 1.092 460 L CA 1.160 55.939 54.840 -0.101 0.000 0.759 460 L CB -0.653 41.257 42.059 -0.247 0.000 0.903 460 L HN 0.243 nan 8.230 nan 0.000 0.435 461 A N 0.350 123.036 122.820 -0.223 0.000 1.902 461 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 461 A C 2.202 179.665 177.584 -0.202 0.000 1.181 461 A CA 1.458 53.329 52.037 -0.277 0.000 0.623 461 A CB -0.597 18.248 19.000 -0.259 0.000 0.818 461 A HN 0.344 nan 8.150 nan 0.000 0.443 462 I N -0.822 119.677 120.570 -0.117 0.000 2.226 462 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 462 I C 2.418 178.464 176.117 -0.117 0.000 1.100 462 I CA 1.171 62.426 61.300 -0.075 0.000 1.374 462 I CB -0.274 37.720 38.000 -0.011 0.000 1.057 462 I HN 0.390 nan 8.210 nan 0.000 0.413 463 L N 1.227 122.398 121.223 -0.086 0.000 2.046 463 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 463 L C 2.542 179.352 176.870 -0.099 0.000 1.077 463 L CA 2.122 56.917 54.840 -0.075 0.000 0.747 463 L CB -0.843 41.213 42.059 -0.005 0.000 0.896 463 L HN 0.187 nan 8.230 nan 0.000 0.432 464 A N -0.490 122.268 122.820 -0.102 0.000 1.877 464 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 464 A C 2.266 179.778 177.584 -0.120 0.000 1.186 464 A CA 2.008 54.000 52.037 -0.076 0.000 0.620 464 A CB -0.905 18.011 19.000 -0.140 0.000 0.822 464 A HN 0.503 nan 8.150 nan 0.000 0.443 465 L N -0.923 120.188 121.223 -0.187 0.000 2.083 465 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 465 L C 2.734 179.398 176.870 -0.343 0.000 1.083 465 L CA 1.183 55.926 54.840 -0.161 0.000 0.752 465 L CB -0.718 41.308 42.059 -0.056 0.000 0.899 465 L HN 0.490 nan 8.230 nan 0.000 0.433 466 C N -0.174 118.781 119.300 -0.576 0.000 2.432 466 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 466 C C 2.760 177.539 174.990 -0.352 0.000 1.249 466 C CA 0.519 59.054 59.018 -0.804 0.000 1.725 466 C CB -0.729 26.674 27.740 -0.562 0.000 2.028 466 C HN 0.428 nan 8.230 nan 0.000 0.477 467 L N 0.850 121.962 121.223 -0.184 0.000 2.093 467 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 467 L C 2.855 179.707 176.870 -0.030 0.000 1.085 467 L CA 1.431 56.229 54.840 -0.070 0.000 0.755 467 L CB -0.692 41.360 42.059 -0.011 0.000 0.904 467 L HN 0.343 nan 8.230 nan 0.000 0.435 468 A N -0.283 122.524 122.820 -0.022 0.000 1.877 468 A HA -0.304 4.016 4.320 -0.000 0.000 0.216 468 A C 2.210 179.818 177.584 0.040 0.000 1.186 468 A CA 2.041 54.096 52.037 0.031 0.000 0.620 468 A CB -0.538 18.497 19.000 0.058 0.000 0.822 468 A HN 0.428 nan 8.150 nan 0.000 0.443 469 Q N -0.417 119.403 119.800 0.034 0.000 2.046 469 Q HA -0.007 4.332 4.340 -0.000 0.000 0.200 469 Q C 2.071 178.098 176.000 0.045 0.000 0.975 469 Q CA 2.044 57.901 55.803 0.091 0.000 0.836 469 Q CB -0.495 28.377 28.738 0.224 0.000 0.896 469 Q HN 0.553 nan 8.270 nan 0.000 0.428 470 A N 0.362 123.180 122.820 -0.005 0.000 1.933 470 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 470 A C 2.288 179.877 177.584 0.008 0.000 1.175 470 A CA 1.738 53.772 52.037 -0.004 0.000 0.628 470 A CB -1.160 17.823 19.000 -0.028 0.000 0.814 470 A HN 0.545 nan 8.150 nan 0.000 0.444 471 A N -0.053 122.776 122.820 0.015 0.000 1.902 471 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 471 A C 1.908 179.507 177.584 0.024 0.000 1.181 471 A CA 1.639 53.689 52.037 0.022 0.000 0.623 471 A CB -0.503 18.515 19.000 0.031 0.000 0.818 471 A HN 0.649 nan 8.150 nan 0.000 0.443 472 E N -0.253 119.966 120.200 0.031 0.000 2.152 472 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 472 E C 1.890 178.503 176.600 0.022 0.000 0.983 472 E CA 0.848 57.266 56.400 0.031 0.000 0.818 472 E CB -0.235 29.490 29.700 0.042 0.000 0.758 472 E HN 0.609 nan 8.360 nan 0.000 0.467 473 L N 0.419 121.654 121.223 0.019 0.000 2.109 473 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 473 L C 2.627 179.497 176.870 0.001 0.000 1.086 473 L CA 0.866 55.709 54.840 0.006 0.000 0.760 473 L CB -0.113 41.946 42.059 -0.000 0.000 0.910 473 L HN 0.011 nan 8.230 nan 0.000 0.437 474 R N -0.346 120.157 120.500 0.005 0.000 2.080 474 R HA -0.035 4.305 4.340 -0.000 0.000 0.222 474 R C 1.775 178.079 176.300 0.007 0.000 1.107 474 R CA 1.552 57.654 56.100 0.004 0.000 0.980 474 R CB -0.339 29.964 30.300 0.005 0.000 0.879 474 R HN 0.341 nan 8.270 nan 0.000 0.439 475 C N 0.058 119.365 119.300 0.011 0.000 3.183 475 C HA 0.664 5.124 4.460 -0.000 0.000 0.285 475 C C 0.653 175.651 174.990 0.014 0.000 1.313 475 C CA -0.320 58.706 59.018 0.013 0.000 1.711 475 C CB -0.686 27.064 27.740 0.016 0.000 2.135 475 C HN 0.732 nan 8.230 nan 0.000 0.651 476 G N 1.703 110.511 108.800 0.014 0.000 2.746 476 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.685 476 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.685 476 G C 0.716 175.628 174.900 0.019 0.000 1.350 476 G CA 0.085 45.194 45.100 0.015 0.000 0.837 476 G HN 0.761 nan 8.290 nan 0.000 0.564 477 S N -0.798 114.915 115.700 0.020 0.000 2.419 477 S HA 0.042 4.512 4.470 -0.000 0.000 0.235 477 S C 2.403 177.017 174.600 0.023 0.000 1.019 477 S CA 1.947 60.162 58.200 0.024 0.000 0.982 477 S CB -0.250 62.963 63.200 0.022 0.000 0.789 477 S HN 2.183 nan 8.310 nan 0.000 0.490 478 G N 0.815 109.627 108.800 0.019 0.000 2.813 478 G HA2 0.348 4.308 3.960 -0.000 0.000 0.209 478 G HA3 0.348 4.308 3.960 -0.000 0.000 0.209 478 G C 0.539 175.451 174.900 0.020 0.000 1.150 478 G CA -0.049 45.062 45.100 0.018 0.000 0.785 478 G HN 0.609 nan 8.290 nan 0.000 0.535 479 L N 0.480 121.716 121.223 0.021 0.000 3.597 479 L HA -0.179 4.161 4.340 -0.000 0.000 0.440 479 L C 0.102 176.984 176.870 0.019 0.000 1.277 479 L CA 0.125 54.979 54.840 0.022 0.000 0.852 479 L CB -1.854 40.221 42.059 0.026 0.000 1.708 479 L HN 0.365 nan 8.230 nan 0.000 0.885 480 D N 0.525 120.935 120.400 0.017 0.000 2.450 480 D HA 0.382 5.022 4.640 -0.000 0.000 0.247 480 D C 1.398 177.707 176.300 0.015 0.000 1.162 480 D CA 1.488 55.496 54.000 0.015 0.000 0.879 480 D CB 0.761 41.568 40.800 0.012 0.000 1.163 480 D HN 0.457 nan 8.370 nan 0.000 0.472 481 G N 2.231 111.040 108.800 0.015 0.000 2.225 481 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 481 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 481 G C 0.381 175.292 174.900 0.018 0.000 0.988 481 G CA 0.152 45.261 45.100 0.015 0.000 0.625 481 G HN 0.626 nan 8.290 nan 0.000 0.527 482 V N 2.574 122.500 119.914 0.021 0.000 2.715 482 V HA 0.495 4.615 4.120 -0.000 0.000 0.299 482 V C 1.491 177.600 176.094 0.025 0.000 1.054 482 V CA 0.153 62.468 62.300 0.025 0.000 1.077 482 V CB 1.379 33.219 31.823 0.028 0.000 0.972 482 V HN 1.068 nan 8.190 nan 0.000 0.484 483 S N 4.988 120.705 115.700 0.029 0.000 2.569 483 S HA 0.119 4.589 4.470 -0.000 0.000 0.274 483 S C -1.718 172.894 174.600 0.021 0.000 1.353 483 S CA -0.593 57.623 58.200 0.026 0.000 1.023 483 S CB 0.444 63.665 63.200 0.035 0.000 0.876 483 S HN 0.582 nan 8.310 nan 0.000 0.540 484 P HA -0.024 nan 4.420 nan 0.000 0.217 484 P C 1.582 178.887 177.300 0.008 0.000 1.150 484 P CA 1.855 64.962 63.100 0.011 0.000 0.832 484 P CB -0.222 31.483 31.700 0.008 0.000 0.787 485 A N -0.264 122.558 122.820 0.004 0.000 1.898 485 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 485 A C 2.472 180.054 177.584 -0.002 0.000 1.181 485 A CA 1.953 53.985 52.037 -0.009 0.000 0.620 485 A CB -1.848 17.142 19.000 -0.017 0.000 0.819 485 A HN 0.262 nan 8.150 nan 0.000 0.442 486 G N -0.223 108.585 108.800 0.015 0.000 2.418 486 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 486 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 486 G C 1.683 176.602 174.900 0.031 0.000 1.158 486 G CA 1.119 46.235 45.100 0.027 0.000 0.771 486 G HN 0.564 nan 8.290 nan 0.000 0.545 487 K N 0.201 120.618 120.400 0.027 0.000 2.026 487 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 487 K C 2.454 179.072 176.600 0.031 0.000 1.048 487 K CA 1.353 57.658 56.287 0.029 0.000 0.929 487 K CB -0.157 32.357 32.500 0.023 0.000 0.713 487 K HN 0.239 nan 8.250 nan 0.000 0.439 488 K N 1.357 121.771 120.400 0.022 0.000 2.063 488 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 488 K C 2.160 178.781 176.600 0.035 0.000 1.048 488 K CA 1.056 57.356 56.287 0.021 0.000 0.928 488 K CB -0.107 32.397 32.500 0.006 0.000 0.713 488 K HN 0.106 nan 8.250 nan 0.000 0.442 489 L N 0.516 121.758 121.223 0.032 0.000 2.017 489 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 489 L C 2.047 178.984 176.870 0.111 0.000 1.073 489 L CA 1.167 56.045 54.840 0.064 0.000 0.745 489 L CB -0.165 41.917 42.059 0.038 0.000 0.894 489 L HN 0.019 nan 8.230 nan 0.000 0.432 490 V N 0.024 119.991 119.914 0.088 0.000 2.343 490 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 490 V C 2.487 178.633 176.094 0.088 0.000 1.051 490 V CA 2.051 64.406 62.300 0.092 0.000 1.036 490 V CB -0.720 31.145 31.823 0.069 0.000 0.654 490 V HN 0.559 nan 8.190 nan 0.000 0.451 491 Q N 0.093 119.933 119.800 0.068 0.000 2.084 491 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 491 Q C 2.445 178.484 176.000 0.064 0.000 0.978 491 Q CA 1.816 57.653 55.803 0.057 0.000 0.844 491 Q CB -0.468 28.294 28.738 0.041 0.000 0.898 491 Q HN 0.668 nan 8.270 nan 0.000 0.426 492 A N 0.998 123.864 122.820 0.076 0.000 1.902 492 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 492 A C 2.099 179.744 177.584 0.103 0.000 1.181 492 A CA 1.101 53.187 52.037 0.082 0.000 0.623 492 A CB -0.661 18.403 19.000 0.106 0.000 0.818 492 A HN 0.276 nan 8.150 nan 0.000 0.443 493 L N -1.119 120.197 121.223 0.156 0.000 2.046 493 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 493 L C 2.676 179.681 176.870 0.226 0.000 1.077 493 L CA 0.982 55.962 54.840 0.234 0.000 0.747 493 L CB -0.435 41.749 42.059 0.209 0.000 0.896 493 L HN 0.258 nan 8.230 nan 0.000 0.432 494 R N 0.351 120.935 120.500 0.141 0.000 2.293 494 R HA -0.131 4.209 4.340 -0.000 0.000 0.219 494 R C 1.863 178.185 176.300 0.037 0.000 1.091 494 R CA 0.745 56.907 56.100 0.102 0.000 1.004 494 R CB -0.370 29.977 30.300 0.078 0.000 0.865 494 R HN 0.542 nan 8.270 nan 0.000 0.469 495 E N 0.019 120.228 120.200 0.014 0.000 2.150 495 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 495 E C 1.432 177.960 176.600 -0.121 0.000 0.985 495 E CA 0.816 57.193 56.400 -0.039 0.000 0.814 495 E CB 0.266 29.946 29.700 -0.033 0.000 0.752 495 E HN 0.224 nan 8.360 nan 0.000 0.466 496 Q N -1.238 118.433 119.800 -0.215 0.000 2.322 496 Q HA 0.140 4.480 4.340 -0.000 0.000 0.250 496 Q C -0.399 175.149 176.000 -0.753 0.000 0.853 496 Q CA 0.291 55.775 55.803 -0.531 0.000 0.951 496 Q CB 0.901 29.165 28.738 -0.790 0.000 1.114 496 Q HN 0.108 nan 8.270 nan 0.000 0.523 497 F N 2.047 121.989 119.950 -0.012 0.000 2.434 497 F HA 0.433 4.960 4.527 -0.000 0.000 0.355 497 F C -2.144 173.670 175.800 0.023 0.000 1.115 497 F CA -2.628 55.375 58.000 0.006 0.000 1.010 497 F CB 1.377 40.384 39.000 0.011 0.000 1.234 497 F HN -0.200 nan 8.300 nan 0.000 0.439 498 P HA 0.192 nan 4.420 nan 0.000 0.272 498 P C -2.483 174.891 177.300 0.123 0.000 1.230 498 P CA -1.022 62.136 63.100 0.097 0.000 0.788 498 P CB 0.150 31.883 31.700 0.054 0.000 0.949 499 P HA 0.081 nan 4.420 nan 0.000 0.270 499 P C -0.669 176.682 177.300 0.085 0.000 1.223 499 P CA -0.082 63.082 63.100 0.106 0.000 0.785 499 P CB 0.284 32.031 31.700 0.078 0.000 0.923 500 L N 2.311 123.589 121.223 0.091 0.000 2.397 500 L HA 0.146 4.486 4.340 -0.000 0.000 0.263 500 L C 1.015 177.894 176.870 0.015 0.000 1.136 500 L CA 0.558 55.401 54.840 0.006 0.000 1.019 500 L CB -0.774 41.207 42.059 -0.129 0.000 1.352 500 L HN 0.322 nan 8.230 nan 0.000 0.420 501 E N 0.759 120.970 120.200 0.018 0.000 2.216 501 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 501 E C 0.334 176.946 176.600 0.021 0.000 0.988 501 E CA 0.632 57.046 56.400 0.023 0.000 0.834 501 E CB 0.303 30.016 29.700 0.022 0.000 0.772 501 E HN 0.577 nan 8.360 nan 0.000 0.479 502 T N -0.017 114.539 114.554 0.003 0.000 2.853 502 T HA 0.127 4.477 4.350 -0.000 0.000 0.311 502 T C -1.773 172.907 174.700 -0.034 0.000 1.307 502 T CA -1.003 61.098 62.100 0.001 0.000 1.019 502 T CB 1.424 70.294 68.868 0.003 0.000 1.264 502 T HN -0.230 nan 8.240 nan 0.000 0.497 503 D N 2.417 122.792 120.400 -0.041 0.000 2.472 503 D HA 0.386 5.026 4.640 -0.000 0.000 0.237 503 D C 0.554 176.813 176.300 -0.069 0.000 1.141 503 D CA 0.545 54.498 54.000 -0.078 0.000 0.875 503 D CB 0.421 41.180 40.800 -0.069 0.000 1.192 503 D HN 0.678 nan 8.370 nan 0.000 0.450 504 R N 0.190 120.637 120.500 -0.089 0.000 2.692 504 R HA 0.603 4.943 4.340 -0.000 0.000 0.269 504 R C -3.140 173.122 176.300 -0.063 0.000 1.030 504 R CA -1.664 54.400 56.100 -0.060 0.000 0.882 504 R CB 0.274 30.549 30.300 -0.043 0.000 1.250 504 R HN 0.013 nan 8.270 nan 0.000 0.465 505 P HA 0.122 nan 4.420 nan 0.000 0.267 505 P C -0.305 176.984 177.300 -0.018 0.000 1.205 505 P CA -0.218 62.865 63.100 -0.028 0.000 0.765 505 P CB 0.582 32.273 31.700 -0.014 0.000 0.828 506 L N 1.654 122.867 121.223 -0.017 0.000 2.731 506 L HA 0.176 4.516 4.340 -0.000 0.000 0.240 506 L C 2.301 179.184 176.870 0.022 0.000 1.120 506 L CA 0.387 55.231 54.840 0.007 0.000 0.913 506 L CB -0.302 41.759 42.059 0.003 0.000 1.213 506 L HN 0.534 nan 8.230 nan 0.000 0.515 507 G N 0.154 108.962 108.800 0.013 0.000 2.529 507 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 507 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 507 G C 1.404 176.319 174.900 0.024 0.000 1.177 507 G CA 0.765 45.874 45.100 0.015 0.000 0.773 507 G HN 0.357 nan 8.290 nan 0.000 0.573 508 Q N -0.179 119.641 119.800 0.033 0.000 2.124 508 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 508 Q C 2.565 178.617 176.000 0.085 0.000 0.977 508 Q CA 1.324 57.156 55.803 0.048 0.000 0.850 508 Q CB -0.087 28.677 28.738 0.043 0.000 0.901 508 Q HN 0.633 nan 8.270 nan 0.000 0.429 509 E N 0.399 120.665 120.200 0.110 0.000 2.072 509 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 509 E C 1.941 178.551 176.600 0.016 0.000 0.985 509 E CA 0.799 57.318 56.400 0.198 0.000 0.801 509 E CB -0.023 29.809 29.700 0.221 0.000 0.750 509 E HN 0.341 nan 8.360 nan 0.000 0.452 510 I N 1.130 121.683 120.570 -0.028 0.000 2.163 510 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 510 I C 2.548 178.630 176.117 -0.060 0.000 1.085 510 I CA 1.081 62.333 61.300 -0.080 0.000 1.347 510 I CB -0.325 37.655 38.000 -0.033 0.000 1.044 510 I HN 0.097 nan 8.210 nan 0.000 0.408 511 A N 0.672 123.488 122.820 -0.007 0.000 1.902 511 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 511 A C 2.540 180.138 177.584 0.024 0.000 1.181 511 A CA 1.876 53.916 52.037 0.005 0.000 0.623 511 A CB -0.863 18.148 19.000 0.019 0.000 0.818 511 A HN 0.439 nan 8.150 nan 0.000 0.443 512 A N -0.637 122.227 122.820 0.073 0.000 1.902 512 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 512 A C 2.129 179.803 177.584 0.150 0.000 1.181 512 A CA 1.752 53.870 52.037 0.135 0.000 0.623 512 A CB -0.584 18.553 19.000 0.227 0.000 0.818 512 A HN 0.653 nan 8.150 nan 0.000 0.443 513 L N -0.284 120.974 121.223 0.057 0.000 2.056 513 L HA 0.012 4.352 4.340 -0.000 0.000 0.207 513 L C 2.665 179.459 176.870 -0.126 0.000 1.078 513 L CA 2.021 56.803 54.840 -0.097 0.000 0.749 513 L CB -0.873 40.867 42.059 -0.531 0.000 0.901 513 L HN 0.341 nan 8.230 nan 0.000 0.433 514 A N -1.482 121.258 122.820 -0.133 0.000 1.908 514 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 514 A C 2.265 179.793 177.584 -0.093 0.000 1.181 514 A CA 2.398 54.349 52.037 -0.143 0.000 0.627 514 A CB -1.253 17.692 19.000 -0.092 0.000 0.818 514 A HN 0.508 nan 8.150 nan 0.000 0.445 515 T N -1.502 113.040 114.554 -0.020 0.000 2.788 515 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 515 T C 1.840 176.546 174.700 0.010 0.000 1.044 515 T CA 1.905 64.010 62.100 0.009 0.000 1.139 515 T CB -0.381 68.512 68.868 0.042 0.000 0.867 515 T HN 0.818 nan 8.240 nan 0.000 0.454 516 H N 1.041 120.072 119.070 -0.065 0.000 2.326 516 H HA 0.131 4.686 4.556 -0.000 0.000 0.301 516 H C 2.010 177.265 175.328 -0.122 0.000 1.081 516 H CA 1.155 57.168 56.048 -0.057 0.000 1.334 516 H CB -0.450 29.303 29.762 -0.015 0.000 1.385 516 H HN 0.227 nan 8.280 nan 0.000 0.504 517 L N 0.027 121.076 121.223 -0.290 0.000 2.127 517 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 517 L C 2.258 178.975 176.870 -0.255 0.000 1.089 517 L CA 0.995 55.524 54.840 -0.517 0.000 0.757 517 L CB -0.484 41.083 42.059 -0.821 0.000 0.899 517 L HN 0.342 nan 8.230 nan 0.000 0.434 518 L N -0.841 120.270 121.223 -0.186 0.000 2.291 518 L HA -0.153 4.187 4.340 -0.000 0.000 0.214 518 L C 2.195 179.025 176.870 -0.068 0.000 1.120 518 L CA 0.970 55.763 54.840 -0.078 0.000 0.799 518 L CB -0.190 41.856 42.059 -0.022 0.000 0.925 518 L HN 0.365 nan 8.230 nan 0.000 0.446 519 Q N -1.460 118.208 119.800 -0.221 0.000 2.280 519 Q HA 0.195 4.535 4.340 -0.000 0.000 0.228 519 Q C -0.107 175.449 176.000 -0.741 0.000 0.857 519 Q CA 0.074 55.701 55.803 -0.292 0.000 0.939 519 Q CB 1.025 29.702 28.738 -0.102 0.000 1.114 519 Q HN 0.446 nan 8.270 nan 0.000 0.514 520 Q N -0.244 119.094 119.800 -0.771 0.000 2.379 520 Q HA 0.489 4.829 4.340 -0.000 0.000 0.278 520 Q C -1.259 174.647 176.000 -0.157 0.000 1.068 520 Q CA -0.461 54.977 55.803 -0.608 0.000 0.816 520 Q CB 2.641 31.128 28.738 -0.419 0.000 1.387 520 Q HN -0.087 nan 8.270 nan 0.000 0.413 521 S N 1.962 117.644 115.700 -0.031 0.000 2.651 521 S HA 0.560 5.030 4.470 -0.000 0.000 0.291 521 S C -2.414 172.002 174.600 -0.307 0.000 1.141 521 S CA -1.188 56.938 58.200 -0.123 0.000 1.027 521 S CB 0.991 64.168 63.200 -0.039 0.000 1.043 521 S HN 0.420 nan 8.310 nan 0.000 0.530 522 P HA 0.245 nan 4.420 nan 0.000 0.273 522 P C -0.638 176.476 177.300 -0.310 0.000 1.428 522 P CA -0.122 62.606 63.100 -0.619 0.000 0.995 522 P CB -0.019 31.032 31.700 -1.082 0.000 1.286 523 V N 0.000 119.822 119.914 -0.153 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.244 62.300 -0.094 0.000 1.235 523 V CB 0.000 31.783 31.823 -0.067 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556