REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2o7b_1_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 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.298 56.287 0.019 0.000 0.838 8 K CB 0.000 32.513 32.500 0.022 0.000 1.064 9 P HA 0.175 nan 4.420 nan 0.000 0.268 9 P C -1.170 176.139 177.300 0.015 0.000 1.208 9 P CA -0.393 62.718 63.100 0.018 0.000 0.777 9 P CB 1.061 32.775 31.700 0.023 0.000 0.875 10 A N 1.863 124.690 122.820 0.012 0.000 2.365 10 A HA 0.530 4.850 4.320 -0.000 0.000 0.318 10 A C -0.727 176.861 177.584 0.006 0.000 1.091 10 A CA -0.724 51.317 52.037 0.007 0.000 0.763 10 A CB 1.525 20.528 19.000 0.005 0.000 1.248 10 A HN 0.332 nan 8.150 nan 0.000 0.442 11 V N 2.249 122.164 119.914 0.001 0.000 2.370 11 V HA 0.280 4.400 4.120 -0.000 0.000 0.279 11 V C 0.279 176.371 176.094 -0.003 0.000 1.029 11 V CA -0.311 61.989 62.300 -0.000 0.000 0.870 11 V CB 1.204 33.023 31.823 -0.007 0.000 0.984 11 V HN 0.967 nan 8.190 nan 0.000 0.451 12 E N 4.563 124.764 120.200 0.002 0.000 2.130 12 E HA 0.392 4.742 4.350 -0.000 0.000 0.284 12 E C -0.997 175.603 176.600 0.001 0.000 1.018 12 E CA -0.735 55.665 56.400 0.001 0.000 0.817 12 E CB 1.275 30.978 29.700 0.006 0.000 1.078 12 E HN 0.556 nan 8.360 nan 0.000 0.396 13 L N 5.559 126.778 121.223 -0.005 0.000 2.265 13 L HA 0.330 4.670 4.340 -0.000 0.000 0.289 13 L C -0.312 176.557 176.870 -0.001 0.000 1.033 13 L CA 0.258 55.093 54.840 -0.008 0.000 0.814 13 L CB 1.256 43.303 42.059 -0.020 0.000 1.203 13 L HN 0.711 nan 8.230 nan 0.000 0.423 14 D N 2.931 123.336 120.400 0.009 0.000 3.013 14 D HA 0.182 4.822 4.640 -0.000 0.000 0.256 14 D C 1.311 177.622 176.300 0.018 0.000 1.573 14 D CA 0.823 54.831 54.000 0.013 0.000 1.197 14 D CB 0.731 41.543 40.800 0.020 0.000 1.041 14 D HN 0.605 nan 8.370 nan 0.000 0.304 15 R N -1.771 118.751 120.500 0.038 0.000 2.276 15 R HA 0.201 4.540 4.340 -0.000 0.000 0.195 15 R C 0.153 176.502 176.300 0.082 0.000 0.908 15 R CA -0.126 56.003 56.100 0.048 0.000 1.083 15 R CB 0.749 31.081 30.300 0.052 0.000 1.182 15 R HN 0.221 nan 8.270 nan 0.000 0.608 16 H N -0.005 119.058 119.070 -0.012 0.000 2.637 16 H HA 0.548 5.104 4.556 -0.000 0.000 0.363 16 H C -1.540 173.782 175.328 -0.011 0.000 1.131 16 H CA -0.696 55.344 56.048 -0.013 0.000 1.183 16 H CB 1.630 31.384 29.762 -0.013 0.000 1.637 16 H HN -0.022 nan 8.280 nan 0.000 0.531 17 I N 4.207 124.472 120.570 -0.510 0.000 2.619 17 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 17 I C -1.187 174.677 176.117 -0.420 0.000 1.100 17 I CA -0.842 60.285 61.300 -0.287 0.000 1.043 17 I CB 1.553 39.454 38.000 -0.165 0.000 1.239 17 I HN 0.843 nan 8.210 nan 0.000 0.420 18 D N 5.965 126.280 120.400 -0.143 0.000 2.423 18 D HA 0.228 4.868 4.640 -0.000 0.000 0.255 18 D C 1.004 177.282 176.300 -0.037 0.000 1.174 18 D CA -0.572 53.396 54.000 -0.054 0.000 1.008 18 D CB 0.951 41.792 40.800 0.069 0.000 1.101 18 D HN 0.498 nan 8.370 nan 0.000 0.516 19 L N -0.415 120.809 121.223 0.001 0.000 2.079 19 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 19 L C 1.513 178.422 176.870 0.066 0.000 1.081 19 L CA 1.437 56.295 54.840 0.029 0.000 0.752 19 L CB -0.490 41.599 42.059 0.049 0.000 0.896 19 L HN 0.439 nan 8.230 nan 0.000 0.433 20 D N -0.221 120.220 120.400 0.068 0.000 2.117 20 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 20 D C 2.337 178.681 176.300 0.074 0.000 0.982 20 D CA 1.083 55.140 54.000 0.095 0.000 0.828 20 D CB -0.132 40.717 40.800 0.082 0.000 0.967 20 D HN 0.402 nan 8.370 nan 0.000 0.464 21 Q N 0.375 120.199 119.800 0.039 0.000 2.084 21 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 21 Q C 2.246 178.245 176.000 -0.001 0.000 0.978 21 Q CA 1.398 57.211 55.803 0.018 0.000 0.844 21 Q CB -0.134 28.605 28.738 0.001 0.000 0.898 21 Q HN 0.211 nan 8.270 nan 0.000 0.426 22 A N 0.907 123.721 122.820 -0.009 0.000 1.908 22 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 22 A C 1.961 179.525 177.584 -0.032 0.000 1.181 22 A CA 1.705 53.724 52.037 -0.030 0.000 0.627 22 A CB -0.855 18.127 19.000 -0.031 0.000 0.818 22 A HN 0.460 nan 8.150 nan 0.000 0.445 23 H N -0.104 118.912 119.070 -0.090 0.000 2.428 23 H HA 0.038 4.593 4.556 -0.000 0.000 0.296 23 H C 2.260 177.501 175.328 -0.145 0.000 1.062 23 H CA 1.404 57.357 56.048 -0.157 0.000 1.350 23 H CB -0.157 29.414 29.762 -0.319 0.000 1.403 23 H HN 0.413 nan 8.280 nan 0.000 0.533 24 A N 0.515 123.328 122.820 -0.011 0.000 1.883 24 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 24 A C 2.835 180.378 177.584 -0.067 0.000 1.186 24 A CA 1.767 53.800 52.037 -0.007 0.000 0.624 24 A CB -0.899 18.119 19.000 0.031 0.000 0.822 24 A HN 0.287 nan 8.150 nan 0.000 0.444 25 V N -0.286 119.579 119.914 -0.081 0.000 2.307 25 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 25 V C 3.068 179.063 176.094 -0.165 0.000 1.045 25 V CA 1.831 64.075 62.300 -0.094 0.000 1.024 25 V CB -1.289 30.485 31.823 -0.082 0.000 0.651 25 V HN 0.611 nan 8.190 nan 0.000 0.449 26 A N 0.875 123.559 122.820 -0.227 0.000 1.940 26 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 26 A C 2.397 179.753 177.584 -0.380 0.000 1.176 26 A CA 2.362 54.208 52.037 -0.318 0.000 0.631 26 A CB -0.708 18.112 19.000 -0.300 0.000 0.814 26 A HN 0.703 nan 8.150 nan 0.000 0.446 27 S N -2.071 113.424 115.700 -0.342 0.000 2.603 27 S HA 0.372 4.842 4.470 -0.000 0.000 0.220 27 S C 1.406 176.128 174.600 0.202 0.000 0.967 27 S CA 1.039 59.185 58.200 -0.089 0.000 0.920 27 S CB -0.288 62.766 63.200 -0.244 0.000 0.773 27 S HN 1.958 nan 8.310 nan 0.000 0.529 28 G N 0.392 109.235 108.800 0.073 0.000 2.159 28 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.256 28 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.256 28 G C 0.856 175.824 174.900 0.113 0.000 0.977 28 G CA 0.133 45.341 45.100 0.180 0.000 0.652 28 G HN 0.954 nan 8.290 nan 0.000 0.531 29 G N -0.373 108.468 108.800 0.067 0.000 2.511 29 G HA2 0.544 4.504 3.960 -0.000 0.000 0.217 29 G HA3 0.544 4.504 3.960 -0.000 0.000 0.217 29 G C 0.674 175.599 174.900 0.042 0.000 1.133 29 G CA 1.764 46.900 45.100 0.060 0.000 0.792 29 G HN 1.826 nan 8.290 nan 0.000 0.539 30 A N -0.463 122.372 122.820 0.025 0.000 2.475 30 A HA 0.788 5.107 4.320 -0.000 0.000 0.301 30 A C -0.195 177.392 177.584 0.006 0.000 1.059 30 A CA -0.826 51.221 52.037 0.017 0.000 0.710 30 A CB 1.536 20.543 19.000 0.012 0.000 1.288 30 A HN 0.206 nan 8.150 nan 0.000 0.408 31 R N 0.014 120.518 120.500 0.007 0.000 2.583 31 R HA 0.620 4.960 4.340 -0.000 0.000 0.268 31 R C -0.684 175.611 176.300 -0.009 0.000 1.101 31 R CA -0.336 55.764 56.100 0.000 0.000 1.180 31 R CB 1.065 31.368 30.300 0.004 0.000 1.128 31 R HN 0.684 nan 8.270 nan 0.000 0.568 32 I N 0.856 121.417 120.570 -0.015 0.000 2.545 32 I HA 0.370 4.539 4.170 -0.000 0.000 0.292 32 I C -1.376 174.732 176.117 -0.014 0.000 1.040 32 I CA -0.886 60.403 61.300 -0.019 0.000 1.068 32 I CB 1.882 39.864 38.000 -0.031 0.000 1.251 32 I HN 0.274 nan 8.210 nan 0.000 0.424 33 V N 8.184 128.091 119.914 -0.012 0.000 2.656 33 V HA 0.505 4.625 4.120 -0.000 0.000 0.307 33 V C -1.318 174.770 176.094 -0.010 0.000 1.051 33 V CA -0.693 61.601 62.300 -0.009 0.000 0.893 33 V CB 2.019 33.839 31.823 -0.005 0.000 0.999 33 V HN 0.655 nan 8.190 nan 0.000 0.426 34 L N 6.969 128.185 121.223 -0.011 0.000 2.260 34 L HA 0.768 5.108 4.340 -0.000 0.000 0.289 34 L C 0.695 177.561 176.870 -0.007 0.000 1.057 34 L CA 0.452 55.285 54.840 -0.010 0.000 0.811 34 L CB 0.753 42.804 42.059 -0.013 0.000 1.184 34 L HN 0.903 nan 8.230 nan 0.000 0.429 35 A N 6.915 129.733 122.820 -0.004 0.000 2.483 35 A HA 0.342 4.662 4.320 -0.000 0.000 0.238 35 A C -1.549 176.034 177.584 -0.002 0.000 1.070 35 A CA -0.688 51.348 52.037 -0.001 0.000 0.770 35 A CB -0.362 18.639 19.000 0.003 0.000 1.008 35 A HN 0.789 nan 8.150 nan 0.000 0.497 36 P HA -0.153 nan 4.420 nan 0.000 0.216 36 P C -1.453 175.847 177.300 -0.001 0.000 1.154 36 P CA 1.845 64.944 63.100 -0.002 0.000 0.865 36 P CB -0.740 30.959 31.700 -0.001 0.000 0.789 37 P HA -0.154 nan 4.420 nan 0.000 0.216 37 P C 1.405 178.706 177.300 0.002 0.000 1.150 37 P CA 1.982 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 -0.194 122.627 122.820 0.001 0.000 1.898 38 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 38 A C 2.243 179.825 177.584 -0.004 0.000 1.181 38 A CA 1.303 53.340 52.037 0.000 0.000 0.620 38 A CB -0.994 18.006 19.000 -0.001 0.000 0.819 38 A HN 0.041 nan 8.150 nan 0.000 0.442 39 R N -0.189 120.308 120.500 -0.006 0.000 2.096 39 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 39 R C 1.556 177.851 176.300 -0.009 0.000 1.127 39 R CA 1.480 57.574 56.100 -0.010 0.000 0.968 39 R CB -0.365 29.929 30.300 -0.011 0.000 0.861 39 R HN 0.486 nan 8.270 nan 0.000 0.440 40 D N 0.214 120.610 120.400 -0.005 0.000 2.097 40 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 40 D C 1.969 178.267 176.300 -0.003 0.000 0.984 40 D CA 1.127 55.124 54.000 -0.004 0.000 0.826 40 D CB -0.154 40.645 40.800 -0.002 0.000 0.973 40 D HN 0.177 nan 8.370 nan 0.000 0.460 41 R N 0.060 120.560 120.500 0.000 0.000 2.096 41 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 41 R C 2.497 178.800 176.300 0.004 0.000 1.127 41 R CA 0.994 57.097 56.100 0.005 0.000 0.968 41 R CB -0.489 29.815 30.300 0.008 0.000 0.861 41 R HN 0.236 nan 8.270 nan 0.000 0.440 42 C N -0.197 119.102 119.300 -0.002 0.000 2.440 42 C HA 0.002 4.462 4.460 -0.000 0.000 0.278 42 C C 2.570 177.549 174.990 -0.018 0.000 1.295 42 C CA 0.352 59.366 59.018 -0.007 0.000 1.738 42 C CB -0.766 26.966 27.740 -0.013 0.000 1.987 42 C HN 0.452 nan 8.230 nan 0.000 0.492 43 R N 0.893 121.382 120.500 -0.019 0.000 2.096 43 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 43 R C 2.362 178.650 176.300 -0.021 0.000 1.127 43 R CA 1.525 57.610 56.100 -0.024 0.000 0.968 43 R CB -0.386 29.903 30.300 -0.019 0.000 0.861 43 R HN 0.557 nan 8.270 nan 0.000 0.440 44 A N -0.027 122.786 122.820 -0.012 0.000 1.902 44 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 44 A C 2.146 179.722 177.584 -0.013 0.000 1.181 44 A CA 1.818 53.850 52.037 -0.008 0.000 0.623 44 A CB -0.571 18.430 19.000 0.001 0.000 0.818 44 A HN 0.299 nan 8.150 nan 0.000 0.443 45 S N -0.853 114.843 115.700 -0.007 0.000 2.383 45 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 45 S C 2.009 176.567 174.600 -0.070 0.000 1.026 45 S CA 1.538 59.733 58.200 -0.009 0.000 0.981 45 S CB -0.325 62.894 63.200 0.033 0.000 0.818 45 S HN 0.671 nan 8.310 nan 0.000 0.472 46 E N 0.299 120.462 120.200 -0.061 0.000 2.118 46 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 46 E C 2.040 178.592 176.600 -0.081 0.000 0.992 46 E CA 1.065 57.417 56.400 -0.080 0.000 0.804 46 E CB -0.322 29.338 29.700 -0.067 0.000 0.741 46 E HN 0.607 nan 8.360 nan 0.000 0.458 47 A N 1.139 123.924 122.820 -0.058 0.000 1.930 47 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 47 A C 2.130 179.671 177.584 -0.071 0.000 1.175 47 A CA 1.097 53.106 52.037 -0.047 0.000 0.627 47 A CB -0.336 18.648 19.000 -0.026 0.000 0.815 47 A HN 0.153 nan 8.150 nan 0.000 0.443 48 R N -1.127 119.319 120.500 -0.090 0.000 2.075 48 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 48 R C 2.114 178.272 176.300 -0.237 0.000 1.126 48 R CA 1.403 57.438 56.100 -0.109 0.000 0.963 48 R CB -0.607 29.657 30.300 -0.060 0.000 0.858 48 R HN 0.498 nan 8.270 nan 0.000 0.435 49 L N 0.660 121.649 121.223 -0.389 0.000 2.046 49 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 49 L C 2.141 178.862 176.870 -0.249 0.000 1.077 49 L CA 2.178 56.688 54.840 -0.550 0.000 0.747 49 L CB -1.079 40.667 42.059 -0.521 0.000 0.896 49 L HN 0.173 nan 8.230 nan 0.000 0.432 50 G N -0.993 107.721 108.800 -0.144 0.000 2.440 50 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.218 50 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.218 50 G C 1.590 176.456 174.900 -0.057 0.000 1.154 50 G CA 0.964 46.023 45.100 -0.070 0.000 0.767 50 G HN 0.672 nan 8.290 nan 0.000 0.552 51 A N -0.013 122.770 122.820 -0.060 0.000 1.898 51 A HA 0.122 4.441 4.320 -0.000 0.000 0.216 51 A C 2.597 180.170 177.584 -0.019 0.000 1.181 51 A CA 1.700 53.719 52.037 -0.031 0.000 0.620 51 A CB -0.598 18.390 19.000 -0.021 0.000 0.819 51 A HN 0.256 nan 8.150 nan 0.000 0.442 52 V N 0.298 120.189 119.914 -0.039 0.000 2.332 52 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 52 V C 2.402 178.511 176.094 0.024 0.000 1.055 52 V CA 2.081 64.389 62.300 0.013 0.000 1.038 52 V CB -0.618 31.216 31.823 0.018 0.000 0.651 52 V HN 0.573 nan 8.190 nan 0.000 0.450 53 I N -0.580 119.985 120.570 -0.009 0.000 2.233 53 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 53 I C 2.722 178.842 176.117 0.005 0.000 1.093 53 I CA 1.517 62.820 61.300 0.005 0.000 1.380 53 I CB -0.451 37.542 38.000 -0.012 0.000 1.067 53 I HN 0.194 nan 8.210 nan 0.000 0.413 54 R N 1.365 121.863 120.500 -0.004 0.000 2.105 54 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 54 R C 1.634 177.938 176.300 0.007 0.000 1.135 54 R CA 1.641 57.740 56.100 -0.002 0.000 0.967 54 R CB -0.040 30.256 30.300 -0.006 0.000 0.861 54 R HN 0.434 nan 8.270 nan 0.000 0.442 55 E N -0.519 119.690 120.200 0.015 0.000 2.489 55 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 55 E C 0.287 176.906 176.600 0.031 0.000 1.057 55 E CA 0.371 56.785 56.400 0.023 0.000 0.866 55 E CB 0.499 30.217 29.700 0.031 0.000 0.916 55 E HN 0.436 nan 8.360 nan 0.000 0.500 56 A N 2.143 124.982 122.820 0.031 0.000 2.783 56 A HA -0.239 4.081 4.320 -0.000 0.000 0.292 56 A C 0.112 177.733 177.584 0.061 0.000 1.495 56 A CA 0.596 52.655 52.037 0.035 0.000 0.787 56 A CB -1.298 17.712 19.000 0.017 0.000 1.017 56 A HN 0.150 nan 8.150 nan 0.000 0.516 57 R N 0.052 120.606 120.500 0.089 0.000 2.643 57 R HA 0.117 4.457 4.340 -0.000 0.000 0.270 57 R C 0.525 176.938 176.300 0.189 0.000 1.061 57 R CA -0.108 56.071 56.100 0.131 0.000 1.107 57 R CB 0.112 30.500 30.300 0.148 0.000 0.999 57 R HN 0.721 nan 8.270 nan 0.000 0.460 58 H N 1.639 120.750 119.070 0.069 0.000 3.160 58 H HA 0.225 4.781 4.556 -0.000 0.000 0.257 58 H C -0.912 174.486 175.328 0.116 0.000 1.140 58 H CA -0.385 55.694 56.048 0.053 0.000 1.492 58 H CB 0.228 29.996 29.762 0.009 0.000 1.529 58 H HN 0.044 nan 8.280 nan 0.000 0.490 59 V N 6.372 126.494 119.914 0.345 0.000 2.686 59 V HA 0.003 4.123 4.120 -0.000 0.000 0.306 59 V C -0.785 175.540 176.094 0.386 0.000 1.065 59 V CA -0.995 61.542 62.300 0.394 0.000 0.894 59 V CB 1.401 33.447 31.823 0.372 0.000 1.004 59 V HN 0.664 nan 8.190 nan 0.000 0.424 60 Y N 3.707 124.262 120.300 0.425 0.000 2.721 60 Y HA 0.364 4.914 4.550 -0.000 0.000 0.329 60 Y C 1.363 177.351 175.900 0.146 0.000 1.211 60 Y CA 1.865 60.094 58.100 0.215 0.000 1.512 60 Y CB 0.589 39.224 38.460 0.292 0.000 1.249 60 Y HN 1.062 nan 8.280 nan 0.000 0.549 61 G N 4.149 112.620 108.800 -0.548 0.000 2.205 61 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.261 61 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.261 61 G C 0.595 175.458 174.900 -0.062 0.000 0.980 61 G CA 0.608 45.507 45.100 -0.334 0.000 0.632 61 G HN 0.674 nan 8.290 nan 0.000 0.533 62 L N -0.236 120.985 121.223 -0.002 0.000 2.547 62 L HA 0.285 4.625 4.340 -0.000 0.000 0.218 62 L C 2.157 179.031 176.870 0.006 0.000 1.048 62 L CA 1.541 56.411 54.840 0.049 0.000 0.859 62 L CB 0.460 42.596 42.059 0.129 0.000 1.128 62 L HN 0.439 nan 8.230 nan 0.000 0.483 63 T N -3.911 110.643 114.554 -0.001 0.000 3.332 63 T HA 0.195 4.545 4.350 -0.000 0.000 0.304 63 T C 0.228 174.884 174.700 -0.073 0.000 0.971 63 T CA 0.063 62.150 62.100 -0.022 0.000 0.954 63 T CB 0.047 68.931 68.868 0.026 0.000 1.175 63 T HN 0.188 nan 8.240 nan 0.000 0.519 64 T N -1.924 112.529 114.554 -0.169 0.000 2.864 64 T HA 0.772 5.122 4.350 -0.000 0.000 0.299 64 T C 0.513 174.900 174.700 -0.522 0.000 1.166 64 T CA -0.285 61.675 62.100 -0.232 0.000 1.007 64 T CB 1.443 70.254 68.868 -0.095 0.000 1.219 64 T HN 0.292 nan 8.240 nan 0.000 0.506 65 G N -0.085 108.462 108.800 -0.420 0.000 2.553 65 G HA2 0.572 4.532 3.960 -0.000 0.000 0.278 65 G HA3 0.572 4.532 3.960 -0.000 0.000 0.278 65 G C -1.056 173.378 174.900 -0.777 0.000 1.349 65 G CA -0.813 43.970 45.100 -0.528 0.000 1.037 65 G HN 0.565 nan 8.290 nan 0.000 0.508 66 F N -0.940 118.969 119.950 -0.068 0.000 2.523 66 F HA 0.605 5.132 4.527 0.000 0.000 0.329 66 F C 1.179 177.085 175.800 0.177 0.000 1.061 66 F CA 0.419 58.443 58.000 0.039 0.000 0.967 66 F CB 1.429 40.478 39.000 0.080 0.000 1.218 66 F HN 1.020 nan 8.300 nan 0.000 0.480 67 G N 1.798 110.907 108.800 0.515 0.000 2.596 67 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.295 67 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.295 67 G C -1.897 173.115 174.900 0.187 0.000 1.240 67 G CA -0.035 45.225 45.100 0.267 0.000 0.985 67 G HN 0.520 nan 8.290 nan 0.000 0.555 68 P HA 0.142 nan 4.420 nan 0.000 0.230 68 P C 1.694 179.032 177.300 0.063 0.000 1.158 68 P CA 0.753 63.898 63.100 0.075 0.000 0.769 68 P CB -0.067 31.663 31.700 0.050 0.000 0.807 69 L N -1.527 119.736 121.223 0.066 0.000 2.612 69 L HA 0.175 4.515 4.340 -0.000 0.000 0.230 69 L C 2.040 178.911 176.870 0.003 0.000 1.140 69 L CA 0.098 54.953 54.840 0.025 0.000 0.896 69 L CB -0.653 41.413 42.059 0.012 0.000 1.065 69 L HN -0.047 nan 8.230 nan 0.000 0.447 70 A N 1.349 124.203 122.820 0.057 0.000 2.125 70 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 70 A C 1.985 179.598 177.584 0.049 0.000 1.156 70 A CA 1.447 53.520 52.037 0.060 0.000 0.671 70 A CB -0.505 18.634 19.000 0.232 0.000 0.794 70 A HN 0.650 nan 8.150 nan 0.000 0.459 71 N N -0.519 118.202 118.700 0.035 0.000 2.515 71 N HA -0.044 4.696 4.740 -0.000 0.000 0.185 71 N C 0.073 175.574 175.510 -0.015 0.000 1.109 71 N CA 0.276 53.340 53.050 0.022 0.000 0.903 71 N CB -0.231 38.268 38.487 0.021 0.000 0.969 71 N HN 0.182 nan 8.380 nan 0.000 0.450 72 R N 1.093 121.573 120.500 -0.033 0.000 2.205 72 R HA 0.372 4.712 4.340 -0.000 0.000 0.342 72 R C -0.184 176.067 176.300 -0.082 0.000 1.058 72 R CA -0.253 55.815 56.100 -0.053 0.000 0.904 72 R CB 0.568 30.837 30.300 -0.052 0.000 1.089 72 R HN 0.165 nan 8.270 nan 0.000 0.471 73 L N 4.079 125.247 121.223 -0.091 0.000 2.397 73 L HA 0.354 4.694 4.340 -0.000 0.000 0.271 73 L C 0.134 176.946 176.870 -0.096 0.000 1.148 73 L CA -0.376 54.394 54.840 -0.118 0.000 0.825 73 L CB 0.569 42.534 42.059 -0.157 0.000 1.117 73 L HN 0.350 nan 8.230 nan 0.000 0.456 74 I N 1.449 121.960 120.570 -0.097 0.000 2.474 74 I HA 0.220 4.390 4.170 -0.000 0.000 0.294 74 I C 0.366 176.449 176.117 -0.056 0.000 1.005 74 I CA -0.253 61.002 61.300 -0.076 0.000 1.113 74 I CB 1.655 39.601 38.000 -0.090 0.000 1.289 74 I HN 0.532 nan 8.210 nan 0.000 0.436 75 S N 3.140 118.815 115.700 -0.043 0.000 2.576 75 S HA 0.317 4.787 4.470 -0.000 0.000 0.276 75 S C 1.489 176.075 174.600 -0.024 0.000 1.339 75 S CA 0.223 58.404 58.200 -0.032 0.000 1.039 75 S CB 1.182 64.366 63.200 -0.026 0.000 0.902 75 S HN 0.883 nan 8.310 nan 0.000 0.516 76 G N 2.763 111.552 108.800 -0.018 0.000 2.469 76 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 76 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 76 G C 1.287 176.180 174.900 -0.012 0.000 1.136 76 G CA 1.087 46.179 45.100 -0.013 0.000 0.759 76 G HN 0.908 nan 8.290 nan 0.000 0.562 77 E N 0.899 121.091 120.200 -0.013 0.000 2.338 77 E HA -0.096 4.253 4.350 -0.000 0.000 0.197 77 E C 1.008 177.602 176.600 -0.009 0.000 1.007 77 E CA 0.759 57.152 56.400 -0.012 0.000 0.849 77 E CB -0.350 29.344 29.700 -0.011 0.000 0.774 77 E HN 0.394 nan 8.360 nan 0.000 0.506 78 N N 0.780 119.475 118.700 -0.009 0.000 2.230 78 N HA 0.057 4.797 4.740 -0.000 0.000 0.202 78 N C 1.460 176.970 175.510 -0.000 0.000 1.119 78 N CA 0.131 53.178 53.050 -0.005 0.000 0.851 78 N CB 0.945 39.427 38.487 -0.008 0.000 0.990 78 N HN 0.029 nan 8.380 nan 0.000 0.497 79 V N 1.038 120.951 119.914 -0.002 0.000 2.490 79 V HA -0.172 3.948 4.120 -0.000 0.000 0.250 79 V C 2.356 178.461 176.094 0.018 0.000 1.061 79 V CA 1.312 63.616 62.300 0.007 0.000 1.064 79 V CB -0.216 31.611 31.823 0.007 0.000 0.670 79 V HN 0.208 nan 8.190 nan 0.000 0.461 80 R N 0.310 120.814 120.500 0.007 0.000 2.073 80 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 80 R C 2.372 178.675 176.300 0.005 0.000 1.134 80 R CA 1.906 58.008 56.100 0.003 0.000 0.952 80 R CB -1.492 28.806 30.300 -0.004 0.000 0.850 80 R HN 0.507 nan 8.270 nan 0.000 0.433 81 T N 2.398 116.960 114.554 0.013 0.000 2.777 81 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 81 T C 1.883 176.608 174.700 0.042 0.000 1.040 81 T CA 0.988 63.102 62.100 0.024 0.000 1.141 81 T CB -0.294 68.591 68.868 0.029 0.000 0.868 81 T HN 0.060 nan 8.240 nan 0.000 0.444 82 L N 1.452 122.708 121.223 0.056 0.000 1.971 82 L HA -0.171 4.169 4.340 -0.000 0.000 0.215 82 L C 2.433 179.414 176.870 0.185 0.000 1.072 82 L CA 1.879 56.788 54.840 0.115 0.000 0.758 82 L CB -0.695 41.401 42.059 0.063 0.000 0.889 82 L HN 0.256 nan 8.230 nan 0.000 0.433 83 Q N -0.954 118.916 119.800 0.117 0.000 2.230 83 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 83 Q C 2.181 178.137 176.000 -0.072 0.000 0.963 83 Q CA 1.151 56.994 55.803 0.066 0.000 0.866 83 Q CB -0.282 28.488 28.738 0.054 0.000 0.931 83 Q HN 0.706 nan 8.270 nan 0.000 0.452 84 A N 1.729 124.491 122.820 -0.097 0.000 1.898 84 A HA -0.165 4.154 4.320 -0.000 0.000 0.216 84 A C 1.758 179.087 177.584 -0.425 0.000 1.181 84 A CA 1.289 53.166 52.037 -0.267 0.000 0.620 84 A CB -0.291 18.593 19.000 -0.193 0.000 0.819 84 A HN 0.251 nan 8.150 nan 0.000 0.442 85 N N -0.231 118.389 118.700 -0.133 0.000 2.396 85 N HA -0.086 4.654 4.740 -0.000 0.000 0.180 85 N C 1.522 177.049 175.510 0.028 0.000 1.028 85 N CA 1.098 54.164 53.050 0.027 0.000 0.893 85 N CB -0.436 38.144 38.487 0.155 0.000 0.967 85 N HN 0.455 nan 8.380 nan 0.000 0.440 86 L N 0.810 121.977 121.223 -0.092 0.000 1.994 86 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 86 L C 1.921 178.486 176.870 -0.509 0.000 1.071 86 L CA 1.482 56.088 54.840 -0.388 0.000 0.745 86 L CB -0.736 40.931 42.059 -0.653 0.000 0.892 86 L HN -0.117 nan 8.230 nan 0.000 0.431 87 V N -0.245 119.444 119.914 -0.376 0.000 2.343 87 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 87 V C 2.401 178.346 176.094 -0.248 0.000 1.051 87 V CA 2.230 64.330 62.300 -0.334 0.000 1.036 87 V CB -1.034 30.618 31.823 -0.284 0.000 0.654 87 V HN 0.628 nan 8.190 nan 0.000 0.451 88 H N -0.405 118.557 119.070 -0.179 0.000 2.293 88 H HA -0.191 4.365 4.556 -0.000 0.000 0.300 88 H C 2.379 177.645 175.328 -0.103 0.000 1.082 88 H CA 1.735 57.712 56.048 -0.118 0.000 1.308 88 H CB -0.237 29.503 29.762 -0.037 0.000 1.375 88 H HN 0.670 nan 8.280 nan 0.000 0.495 89 H N 0.651 119.747 119.070 0.043 0.000 2.457 89 H HA -0.063 4.493 4.556 -0.000 0.000 0.294 89 H C 1.891 177.191 175.328 -0.047 0.000 1.064 89 H CA 0.935 56.981 56.048 -0.005 0.000 1.330 89 H CB -0.267 29.494 29.762 -0.001 0.000 1.395 89 H HN 0.326 nan 8.280 nan 0.000 0.541 90 L N 1.026 121.945 121.223 -0.508 0.000 2.395 90 L HA 0.099 4.439 4.340 -0.000 0.000 0.218 90 L C 1.919 178.655 176.870 -0.224 0.000 1.130 90 L CA 0.378 54.997 54.840 -0.368 0.000 0.826 90 L CB -0.092 41.677 42.059 -0.484 0.000 0.941 90 L HN 0.285 nan 8.230 nan 0.000 0.451 91 A N -0.008 122.641 122.820 -0.284 0.000 3.029 91 A HA 0.153 4.473 4.320 -0.000 0.000 0.251 91 A C 1.257 178.802 177.584 -0.065 0.000 1.749 91 A CA 0.299 52.032 52.037 -0.507 0.000 1.386 91 A CB -0.631 18.012 19.000 -0.595 0.000 1.043 91 A HN 0.362 nan 8.150 nan 0.000 0.638 92 S N -0.600 115.162 115.700 0.103 0.000 2.575 92 S HA 0.365 4.835 4.470 -0.000 0.000 0.237 92 S C 0.902 175.606 174.600 0.174 0.000 0.975 92 S CA 0.092 58.372 58.200 0.134 0.000 0.960 92 S CB 0.041 63.288 63.200 0.078 0.000 0.822 92 S HN 0.760 nan 8.310 nan 0.000 0.472 93 G N 1.568 110.577 108.800 0.347 0.000 2.544 93 G HA2 0.489 4.449 3.960 -0.000 0.000 0.242 93 G HA3 0.489 4.449 3.960 -0.000 0.000 0.242 93 G C -0.128 174.743 174.900 -0.048 0.000 1.247 93 G CA 0.153 45.294 45.100 0.069 0.000 0.840 93 G HN 1.034 nan 8.290 nan 0.000 0.578 94 V N -0.982 118.898 119.914 -0.058 0.000 3.182 94 V HA 1.032 5.152 4.120 -0.000 0.000 0.308 94 V C 0.544 176.604 176.094 -0.058 0.000 1.240 94 V CA -0.135 62.133 62.300 -0.054 0.000 1.063 94 V CB 1.103 32.915 31.823 -0.018 0.000 1.076 94 V HN 2.560 nan 8.190 nan 0.000 0.446 95 G N 0.502 109.276 108.800 -0.044 0.000 2.663 95 G HA2 0.076 4.036 3.960 -0.000 0.000 0.686 95 G HA3 0.076 4.036 3.960 -0.000 0.000 0.686 95 G C -2.810 172.066 174.900 -0.041 0.000 1.288 95 G CA -0.312 44.767 45.100 -0.035 0.000 0.836 95 G HN 1.101 nan 8.290 nan 0.000 0.584 96 P HA 0.388 nan 4.420 nan 0.000 0.267 96 P C 0.890 178.172 177.300 -0.029 0.000 1.200 96 P CA 0.466 63.555 63.100 -0.019 0.000 0.772 96 P CB 0.743 32.440 31.700 -0.004 0.000 0.855 97 V N 1.567 121.464 119.914 -0.028 0.000 2.963 97 V HA 0.133 4.253 4.120 -0.000 0.000 0.306 97 V C 0.651 176.740 176.094 -0.009 0.000 1.077 97 V CA -0.608 61.672 62.300 -0.034 0.000 1.124 97 V CB -0.533 31.276 31.823 -0.025 0.000 0.987 97 V HN 0.292 nan 8.190 nan 0.000 0.487 98 L N 2.935 124.149 121.223 -0.014 0.000 2.461 98 L HA 0.246 4.586 4.340 -0.000 0.000 0.272 98 L C 0.694 177.585 176.870 0.035 0.000 1.197 98 L CA -0.207 54.637 54.840 0.006 0.000 0.836 98 L CB 0.156 42.209 42.059 -0.010 0.000 1.105 98 L HN 1.029 nan 8.230 nan 0.000 0.477 99 D N 0.074 120.511 120.400 0.061 0.000 2.361 99 D HA -0.133 4.507 4.640 -0.000 0.000 0.239 99 D C 0.709 177.101 176.300 0.154 0.000 1.200 99 D CA -0.382 53.687 54.000 0.114 0.000 0.915 99 D CB 0.479 41.352 40.800 0.122 0.000 1.170 99 D HN 0.554 nan 8.370 nan 0.000 0.444 100 W N 1.024 122.328 121.300 0.005 0.000 2.302 100 W HA -0.285 4.375 4.660 -0.000 0.000 0.320 100 W C 2.176 178.689 176.519 -0.010 0.000 1.241 100 W CA 2.685 60.032 57.345 0.004 0.000 1.264 100 W CB -0.745 28.720 29.460 0.008 0.000 1.154 100 W HN 0.433 nan 8.180 nan 0.000 0.483 101 T N -0.331 114.348 114.554 0.208 0.000 2.708 101 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 101 T C 1.576 176.198 174.700 -0.130 0.000 1.037 101 T CA 2.299 64.370 62.100 -0.048 0.000 1.146 101 T CB -0.882 68.046 68.868 0.099 0.000 0.865 101 T HN 0.166 nan 8.240 nan 0.000 0.435 102 T N 1.978 116.516 114.554 -0.027 0.000 2.746 102 T HA 0.007 4.357 4.350 -0.000 0.000 0.267 102 T C 2.404 177.059 174.700 -0.075 0.000 1.039 102 T CA 1.092 63.174 62.100 -0.029 0.000 1.142 102 T CB -0.508 68.371 68.868 0.019 0.000 0.866 102 T HN 0.423 nan 8.240 nan 0.000 0.444 103 A N 1.792 124.556 122.820 -0.093 0.000 1.902 103 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 103 A C 2.371 179.853 177.584 -0.171 0.000 1.181 103 A CA 1.388 53.357 52.037 -0.114 0.000 0.623 103 A CB -0.453 18.485 19.000 -0.104 0.000 0.818 103 A HN 0.414 nan 8.150 nan 0.000 0.443 104 R N -0.549 119.782 120.500 -0.281 0.000 2.115 104 R HA 0.023 4.363 4.340 -0.000 0.000 0.230 104 R C 2.393 178.563 176.300 -0.217 0.000 1.111 104 R CA 1.004 56.914 56.100 -0.316 0.000 0.976 104 R CB -0.399 29.570 30.300 -0.551 0.000 0.870 104 R HN 0.503 nan 8.270 nan 0.000 0.445 105 A N 1.177 123.886 122.820 -0.184 0.000 1.933 105 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 105 A C 2.114 179.645 177.584 -0.089 0.000 1.175 105 A CA 1.282 53.244 52.037 -0.124 0.000 0.628 105 A CB -0.429 18.521 19.000 -0.083 0.000 0.814 105 A HN 0.324 nan 8.150 nan 0.000 0.444 106 M N -0.267 119.283 119.600 -0.083 0.000 2.099 106 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 106 M C 1.882 178.143 176.300 -0.065 0.000 1.067 106 M CA 1.960 57.223 55.300 -0.061 0.000 1.124 106 M CB -0.234 32.334 32.600 -0.053 0.000 1.353 106 M HN 0.187 nan 8.290 nan 0.000 0.410 107 V N 1.146 121.010 119.914 -0.083 0.000 2.332 107 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 107 V C 2.431 178.483 176.094 -0.069 0.000 1.055 107 V CA 1.800 64.056 62.300 -0.074 0.000 1.038 107 V CB -0.993 30.778 31.823 -0.087 0.000 0.651 107 V HN 0.586 nan 8.190 nan 0.000 0.450 108 L N 0.941 122.113 121.223 -0.085 0.000 2.017 108 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 108 L C 2.472 179.304 176.870 -0.062 0.000 1.073 108 L CA 2.389 57.182 54.840 -0.077 0.000 0.745 108 L CB -1.005 40.999 42.059 -0.093 0.000 0.894 108 L HN 0.218 nan 8.230 nan 0.000 0.432 109 A N -0.461 122.323 122.820 -0.059 0.000 1.940 109 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 109 A C 2.463 180.023 177.584 -0.040 0.000 1.176 109 A CA 1.959 53.966 52.037 -0.050 0.000 0.631 109 A CB -0.632 18.343 19.000 -0.043 0.000 0.814 109 A HN 0.497 nan 8.150 nan 0.000 0.446 110 R N -0.722 119.756 120.500 -0.036 0.000 2.075 110 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 110 R C 1.947 178.232 176.300 -0.024 0.000 1.126 110 R CA 1.513 57.599 56.100 -0.025 0.000 0.963 110 R CB -0.671 29.614 30.300 -0.024 0.000 0.858 110 R HN 0.431 nan 8.270 nan 0.000 0.435 111 L N -0.033 121.171 121.223 -0.032 0.000 2.012 111 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 111 L C 1.934 178.786 176.870 -0.029 0.000 1.073 111 L CA 1.675 56.497 54.840 -0.030 0.000 0.748 111 L CB -0.536 41.501 42.059 -0.037 0.000 0.891 111 L HN 0.083 nan 8.230 nan 0.000 0.431 112 V N -1.100 118.791 119.914 -0.038 0.000 2.343 112 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 112 V C 2.761 178.837 176.094 -0.030 0.000 1.051 112 V CA 1.810 64.085 62.300 -0.041 0.000 1.036 112 V CB -0.904 30.882 31.823 -0.061 0.000 0.654 112 V HN 0.640 nan 8.190 nan 0.000 0.451 113 S N -0.294 115.390 115.700 -0.026 0.000 2.356 113 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 113 S C 1.929 176.527 174.600 -0.004 0.000 1.032 113 S CA 1.751 59.941 58.200 -0.016 0.000 1.005 113 S CB -0.360 62.833 63.200 -0.012 0.000 0.867 113 S HN 0.522 nan 8.310 nan 0.000 0.449 114 I N 1.700 122.269 120.570 -0.001 0.000 2.286 114 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 114 I C 2.692 178.812 176.117 0.006 0.000 1.115 114 I CA 1.063 62.368 61.300 0.009 0.000 1.392 114 I CB -0.486 37.516 38.000 0.003 0.000 1.065 114 I HN 0.376 nan 8.210 nan 0.000 0.418 115 A N 0.093 122.910 122.820 -0.004 0.000 2.131 115 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 115 A C 2.099 179.684 177.584 0.002 0.000 1.158 115 A CA 1.233 53.268 52.037 -0.004 0.000 0.665 115 A CB -0.341 18.653 19.000 -0.011 0.000 0.795 115 A HN 0.417 nan 8.150 nan 0.000 0.460 116 Q N -1.222 118.581 119.800 0.005 0.000 2.436 116 Q HA 0.082 4.422 4.340 -0.000 0.000 0.209 116 Q C 1.245 177.255 176.000 0.016 0.000 0.965 116 Q CA 0.821 56.630 55.803 0.009 0.000 0.910 116 Q CB -0.548 28.192 28.738 0.005 0.000 0.980 116 Q HN 1.078 nan 8.270 nan 0.000 0.491 117 G N 0.390 109.203 108.800 0.022 0.000 2.212 117 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.255 117 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.255 117 G C 0.465 175.400 174.900 0.058 0.000 1.062 117 G CA 0.402 45.522 45.100 0.033 0.000 0.815 117 G HN 0.527 nan 8.290 nan 0.000 0.497 118 A N -1.017 121.847 122.820 0.074 0.000 2.628 118 A HA 0.716 5.036 4.320 -0.000 0.000 0.267 118 A C 1.695 179.398 177.584 0.199 0.000 1.159 118 A CA 1.391 53.498 52.037 0.116 0.000 0.972 118 A CB 0.280 19.309 19.000 0.048 0.000 1.211 118 A HN 0.782 nan 8.150 nan 0.000 0.576 119 S N -1.030 114.780 115.700 0.184 0.000 2.511 119 S HA 0.358 4.828 4.470 -0.000 0.000 0.214 119 S C 1.531 176.305 174.600 0.291 0.000 0.997 119 S CA 0.695 59.033 58.200 0.231 0.000 0.908 119 S CB 0.376 63.644 63.200 0.114 0.000 0.803 119 S HN 1.652 nan 8.310 nan 0.000 0.504 120 G N 1.881 110.778 108.800 0.162 0.000 2.148 120 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.254 120 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.254 120 G C 0.218 175.107 174.900 -0.018 0.000 0.981 120 G CA 0.038 45.129 45.100 -0.016 0.000 0.670 120 G HN 0.889 nan 8.290 nan 0.000 0.528 121 A N 0.411 123.239 122.820 0.012 0.000 2.511 121 A HA 0.616 4.936 4.320 -0.000 0.000 0.242 121 A C 1.158 178.699 177.584 -0.072 0.000 1.069 121 A CA 1.016 53.043 52.037 -0.018 0.000 0.763 121 A CB 0.213 19.209 19.000 -0.006 0.000 1.001 121 A HN 2.044 nan 8.150 nan 0.000 0.498 122 S N 1.777 117.398 115.700 -0.131 0.000 2.600 122 S HA 0.156 4.626 4.470 -0.000 0.000 0.265 122 S C 0.703 175.194 174.600 -0.182 0.000 1.325 122 S CA 0.196 58.245 58.200 -0.252 0.000 1.002 122 S CB 0.586 63.434 63.200 -0.586 0.000 0.921 122 S HN 0.711 nan 8.310 nan 0.000 0.554 123 E N 1.689 121.783 120.200 -0.177 0.000 2.118 123 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 123 E C 2.139 178.683 176.600 -0.094 0.000 0.992 123 E CA 1.181 57.518 56.400 -0.106 0.000 0.804 123 E CB -0.771 28.880 29.700 -0.083 0.000 0.741 123 E HN 0.892 nan 8.360 nan 0.000 0.458 124 G N 0.773 109.498 108.800 -0.125 0.000 2.418 124 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 124 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 124 G C 1.650 176.518 174.900 -0.054 0.000 1.158 124 G CA 1.284 46.340 45.100 -0.073 0.000 0.771 124 G HN 0.178 nan 8.290 nan 0.000 0.545 125 T N 1.369 115.879 114.554 -0.073 0.000 2.746 125 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 125 T C 2.385 177.066 174.700 -0.032 0.000 1.039 125 T CA 1.007 63.082 62.100 -0.041 0.000 1.142 125 T CB -0.164 68.679 68.868 -0.043 0.000 0.866 125 T HN 0.247 nan 8.240 nan 0.000 0.444 126 I N 1.306 121.851 120.570 -0.041 0.000 2.226 126 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 126 I C 2.905 179.007 176.117 -0.025 0.000 1.100 126 I CA 1.054 62.335 61.300 -0.031 0.000 1.374 126 I CB -0.476 37.504 38.000 -0.034 0.000 1.057 126 I HN 0.193 nan 8.210 nan 0.000 0.413 127 A N 0.784 123.587 122.820 -0.027 0.000 1.933 127 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 127 A C 2.339 179.917 177.584 -0.010 0.000 1.175 127 A CA 1.302 53.327 52.037 -0.019 0.000 0.628 127 A CB -0.399 18.590 19.000 -0.019 0.000 0.814 127 A HN 0.249 nan 8.150 nan 0.000 0.444 128 R N -0.182 120.314 120.500 -0.006 0.000 2.096 128 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 128 R C 2.021 178.326 176.300 0.009 0.000 1.127 128 R CA 1.222 57.327 56.100 0.008 0.000 0.968 128 R CB -0.989 29.320 30.300 0.016 0.000 0.861 128 R HN 0.612 nan 8.270 nan 0.000 0.440 129 L N 0.060 121.280 121.223 -0.004 0.000 2.072 129 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 129 L C 2.482 179.341 176.870 -0.019 0.000 1.079 129 L CA 1.039 55.871 54.840 -0.012 0.000 0.752 129 L CB -0.467 41.579 42.059 -0.021 0.000 0.906 129 L HN 0.058 nan 8.230 nan 0.000 0.436 130 I N 0.071 120.630 120.570 -0.019 0.000 2.179 130 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 130 I C 2.149 178.256 176.117 -0.016 0.000 1.088 130 I CA 1.230 62.517 61.300 -0.021 0.000 1.357 130 I CB -0.402 37.587 38.000 -0.019 0.000 1.051 130 I HN 0.264 nan 8.210 nan 0.000 0.409 131 D N 0.803 121.197 120.400 -0.009 0.000 2.123 131 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 131 D C 2.138 178.436 176.300 -0.003 0.000 0.992 131 D CA 0.962 54.958 54.000 -0.006 0.000 0.833 131 D CB -0.373 40.425 40.800 -0.004 0.000 0.954 131 D HN 0.161 nan 8.370 nan 0.000 0.455 132 L N 0.819 122.047 121.223 0.007 0.000 2.012 132 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 132 L C 2.153 179.011 176.870 -0.019 0.000 1.073 132 L CA 1.423 56.275 54.840 0.020 0.000 0.748 132 L CB -0.906 41.181 42.059 0.047 0.000 0.891 132 L HN 0.095 nan 8.230 nan 0.000 0.431 133 L N 0.132 121.328 121.223 -0.044 0.000 2.131 133 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 133 L C 1.909 178.752 176.870 -0.045 0.000 1.092 133 L CA 0.917 55.712 54.840 -0.076 0.000 0.759 133 L CB -0.540 41.473 42.059 -0.076 0.000 0.903 133 L HN 0.376 nan 8.230 nan 0.000 0.435 134 N N -0.517 118.172 118.700 -0.019 0.000 2.398 134 N HA -0.010 4.729 4.740 -0.000 0.000 0.188 134 N C 0.851 176.373 175.510 0.020 0.000 1.122 134 N CA 0.348 53.398 53.050 -0.000 0.000 0.866 134 N CB 0.174 38.660 38.487 -0.002 0.000 0.970 134 N HN 0.333 nan 8.380 nan 0.000 0.462 135 S N -0.031 115.684 115.700 0.024 0.000 2.713 135 S HA 0.293 4.763 4.470 -0.000 0.000 0.277 135 S C 0.726 175.402 174.600 0.127 0.000 1.168 135 S CA -0.464 57.765 58.200 0.048 0.000 0.994 135 S CB 1.463 64.675 63.200 0.020 0.000 1.054 135 S HN -0.079 nan 8.310 nan 0.000 0.555 136 E N 0.158 120.458 120.200 0.167 0.000 2.419 136 E HA 0.358 4.708 4.350 -0.000 0.000 0.190 136 E C -0.195 176.709 176.600 0.507 0.000 1.040 136 E CA -0.006 56.586 56.400 0.319 0.000 0.900 136 E CB -0.217 29.573 29.700 0.150 0.000 1.054 136 E HN 0.502 nan 8.360 nan 0.000 0.462 137 L N -0.213 121.230 121.223 0.366 0.000 2.304 137 L HA 0.785 5.125 4.340 -0.000 0.000 0.268 137 L C -0.071 176.935 176.870 0.227 0.000 1.010 137 L CA -1.154 53.934 54.840 0.413 0.000 0.813 137 L CB 1.604 43.783 42.059 0.200 0.000 1.315 137 L HN -0.165 nan 8.230 nan 0.000 0.445 138 A N 0.856 123.830 122.820 0.256 0.000 2.515 138 A HA 0.811 5.130 4.320 -0.000 0.000 0.298 138 A C -2.824 174.832 177.584 0.119 0.000 1.059 138 A CA -1.393 50.642 52.037 -0.003 0.000 0.698 138 A CB 1.876 20.700 19.000 -0.294 0.000 1.289 138 A HN 0.366 nan 8.150 nan 0.000 0.404 139 P HA 0.382 nan 4.420 nan 0.000 0.275 139 P C -0.336 176.870 177.300 -0.157 0.000 1.228 139 P CA 0.103 63.041 63.100 -0.271 0.000 0.786 139 P CB 1.302 32.855 31.700 -0.245 0.000 0.927 140 A N 3.389 126.097 122.820 -0.186 0.000 2.316 140 A HA 0.510 4.830 4.320 -0.000 0.000 0.311 140 A C 0.188 177.705 177.584 -0.111 0.000 1.339 140 A CA -0.468 51.514 52.037 -0.091 0.000 0.960 140 A CB -0.340 18.625 19.000 -0.059 0.000 1.152 140 A HN 0.448 nan 8.150 nan 0.000 0.547 141 V N 1.151 121.004 119.914 -0.101 0.000 2.588 141 V HA 0.744 4.864 4.120 -0.000 0.000 0.304 141 V C -2.814 173.177 176.094 -0.170 0.000 1.042 141 V CA -2.572 59.644 62.300 -0.139 0.000 0.877 141 V CB 1.822 33.599 31.823 -0.077 0.000 0.996 141 V HN 0.669 nan 8.190 nan 0.000 0.425 142 P HA 0.105 nan 4.420 nan 0.000 0.267 142 P C 0.853 178.074 177.300 -0.132 0.000 1.200 142 P CA 0.451 63.417 63.100 -0.223 0.000 0.772 142 P CB 1.292 32.794 31.700 -0.330 0.000 0.855 143 S N 2.570 118.224 115.700 -0.076 0.000 2.461 143 S HA 0.014 4.484 4.470 -0.000 0.000 0.228 143 S C 0.841 175.425 174.600 -0.027 0.000 1.005 143 S CA 0.133 58.309 58.200 -0.039 0.000 0.942 143 S CB -0.099 63.090 63.200 -0.019 0.000 0.776 143 S HN 0.419 nan 8.310 nan 0.000 0.514 144 R N -0.278 120.202 120.500 -0.033 0.000 2.787 144 R HA 0.631 4.971 4.340 -0.000 0.000 0.271 144 R C 0.700 176.996 176.300 -0.007 0.000 0.993 144 R CA -0.096 55.996 56.100 -0.014 0.000 0.993 144 R CB 1.520 31.814 30.300 -0.011 0.000 1.155 144 R HN 0.313 nan 8.270 nan 0.000 0.486 145 G N 0.152 108.958 108.800 0.009 0.000 2.551 145 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.186 145 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.186 145 G C 0.026 174.942 174.900 0.027 0.000 1.002 145 G CA -0.052 45.062 45.100 0.024 0.000 0.723 145 G HN 0.603 nan 8.290 nan 0.000 0.481 146 T N 0.599 115.166 114.554 0.022 0.000 2.902 146 T HA 0.538 4.888 4.350 -0.000 0.000 0.283 146 T C 1.328 176.044 174.700 0.027 0.000 1.009 146 T CA 0.406 62.519 62.100 0.022 0.000 1.051 146 T CB 1.665 70.543 68.868 0.018 0.000 0.999 146 T HN 1.152 nan 8.240 nan 0.000 0.474 147 V N 1.508 121.440 119.914 0.029 0.000 3.444 147 V HA 0.616 4.736 4.120 -0.000 0.000 0.308 147 V C 1.141 177.265 176.094 0.049 0.000 1.371 147 V CA 0.188 62.512 62.300 0.040 0.000 1.141 147 V CB -1.286 30.561 31.823 0.041 0.000 1.037 147 V HN 1.362 nan 8.190 nan 0.000 0.433 153 L N -0.354 120.841 121.223 -0.047 0.000 2.017 153 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 153 L C 2.391 179.214 176.870 -0.079 0.000 1.073 153 L CA 1.411 56.202 54.840 -0.083 0.000 0.745 153 L CB -0.579 41.410 42.059 -0.118 0.000 0.894 153 L HN 0.098 nan 8.230 nan 0.000 0.432 154 T N 0.485 115.016 114.554 -0.038 0.000 2.643 154 T HA -0.087 4.263 4.350 -0.000 0.000 0.264 154 T C -0.454 174.310 174.700 0.106 0.000 1.045 154 T CA 1.780 63.889 62.100 0.014 0.000 1.155 154 T CB -1.101 67.802 68.868 0.059 0.000 0.863 154 T HN 0.301 nan 8.240 nan 0.000 0.420 155 P HA 0.010 nan 4.420 nan 0.000 0.218 155 P C 1.554 178.882 177.300 0.047 0.000 1.149 155 P CA 0.978 64.124 63.100 0.076 0.000 0.817 155 P CB -0.208 31.501 31.700 0.015 0.000 0.785 156 L N -0.694 120.528 121.223 -0.002 0.000 2.156 156 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 156 L C 2.780 179.614 176.870 -0.061 0.000 1.095 156 L CA 1.248 56.068 54.840 -0.033 0.000 0.770 156 L CB -1.004 41.029 42.059 -0.043 0.000 0.914 156 L HN -0.062 nan 8.230 nan 0.000 0.439 157 A N -0.869 121.892 122.820 -0.099 0.000 1.902 157 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 157 A C 2.130 179.604 177.584 -0.183 0.000 1.181 157 A CA 1.305 53.233 52.037 -0.182 0.000 0.623 157 A CB -0.730 18.104 19.000 -0.277 0.000 0.818 157 A HN 0.400 nan 8.150 nan 0.000 0.443 158 H N -1.156 117.860 119.070 -0.089 0.000 2.387 158 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 158 H C 2.104 177.366 175.328 -0.111 0.000 1.090 158 H CA 1.781 57.777 56.048 -0.087 0.000 1.332 158 H CB -0.286 29.428 29.762 -0.079 0.000 1.386 158 H HN 0.597 nan 8.280 nan 0.000 0.516 159 M N 0.565 120.167 119.600 0.003 0.000 2.080 159 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 159 M C 2.171 178.425 176.300 -0.078 0.000 1.068 159 M CA 1.399 56.662 55.300 -0.062 0.000 1.109 159 M CB -0.163 32.406 32.600 -0.053 0.000 1.342 159 M HN -0.000 nan 8.290 nan 0.000 0.405 160 V N 1.351 121.223 119.914 -0.070 0.000 2.287 160 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 160 V C 2.469 178.527 176.094 -0.060 0.000 1.053 160 V CA 1.963 64.224 62.300 -0.065 0.000 1.027 160 V CB -0.810 30.962 31.823 -0.084 0.000 0.646 160 V HN 0.552 nan 8.190 nan 0.000 0.447 161 L N -0.862 120.317 121.223 -0.073 0.000 2.012 161 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 161 L C 2.685 179.521 176.870 -0.057 0.000 1.073 161 L CA 1.828 56.637 54.840 -0.050 0.000 0.748 161 L CB -0.796 41.233 42.059 -0.050 0.000 0.891 161 L HN 0.413 nan 8.230 nan 0.000 0.431 162 C N -0.068 119.153 119.300 -0.131 0.000 2.413 162 C HA -0.180 4.280 4.460 -0.000 0.000 0.277 162 C C 2.686 177.582 174.990 -0.157 0.000 1.228 162 C CA 0.549 59.383 59.018 -0.306 0.000 1.731 162 C CB -0.930 26.474 27.740 -0.560 0.000 2.042 162 C HN 0.443 nan 8.230 nan 0.000 0.468 163 L N 0.326 121.520 121.223 -0.048 0.000 2.353 163 L HA -0.185 4.155 4.340 -0.000 0.000 0.220 163 L C 2.442 179.386 176.870 0.123 0.000 1.133 163 L CA 1.290 56.202 54.840 0.121 0.000 0.798 163 L CB -0.673 41.423 42.059 0.062 0.000 0.922 163 L HN 0.544 nan 8.230 nan 0.000 0.445 164 Q N -0.403 119.438 119.800 0.069 0.000 2.360 164 Q HA 0.114 4.454 4.340 -0.000 0.000 0.202 164 Q C 1.378 177.433 176.000 0.091 0.000 0.915 164 Q CA 0.520 56.361 55.803 0.064 0.000 0.943 164 Q CB 0.602 29.359 28.738 0.032 0.000 1.064 164 Q HN 0.559 nan 8.270 nan 0.000 0.511 165 G N 1.713 110.598 108.800 0.141 0.000 2.141 165 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.242 165 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.242 165 G C 0.521 175.487 174.900 0.110 0.000 0.982 165 G CA 0.040 45.243 45.100 0.172 0.000 0.662 165 G HN 0.309 nan 8.290 nan 0.000 0.527 166 R N 0.083 120.623 120.500 0.066 0.000 2.552 166 R HA 0.474 4.814 4.340 -0.000 0.000 0.314 166 R C 0.979 177.291 176.300 0.020 0.000 1.041 166 R CA 0.492 56.617 56.100 0.043 0.000 1.076 166 R CB 0.860 31.184 30.300 0.040 0.000 1.290 166 R HN 0.524 nan 8.270 nan 0.000 0.563 167 G N -0.289 108.508 108.800 -0.004 0.000 2.704 167 G HA2 0.233 4.193 3.960 -0.000 0.000 0.293 167 G HA3 0.233 4.193 3.960 -0.000 0.000 0.293 167 G C -1.473 173.367 174.900 -0.101 0.000 1.421 167 G CA -0.658 44.408 45.100 -0.056 0.000 0.870 167 G HN -0.124 nan 8.290 nan 0.000 0.492 168 D N -0.439 119.915 120.400 -0.077 0.000 2.360 168 D HA 0.545 5.185 4.640 -0.000 0.000 0.242 168 D C -0.424 175.769 176.300 -0.178 0.000 1.184 168 D CA 0.600 54.588 54.000 -0.021 0.000 0.930 168 D CB 0.821 41.630 40.800 0.015 0.000 1.161 168 D HN 0.103 nan 8.370 nan 0.000 0.447 169 F N -0.547 119.429 119.950 0.044 0.000 2.618 169 F HA 0.538 5.065 4.527 -0.000 0.000 0.332 169 F C -0.178 175.670 175.800 0.080 0.000 1.061 169 F CA -0.898 57.136 58.000 0.058 0.000 0.974 169 F CB 1.187 40.222 39.000 0.059 0.000 1.310 169 F HN -0.062 nan 8.300 nan 0.000 0.491 170 L N 1.350 122.777 121.223 0.341 0.000 2.381 170 L HA 0.423 4.763 4.340 -0.000 0.000 0.268 170 L C -1.174 175.916 176.870 0.367 0.000 0.997 170 L CA -1.060 53.954 54.840 0.291 0.000 0.818 170 L CB 1.979 44.213 42.059 0.291 0.000 1.310 170 L HN 0.595 nan 8.230 nan 0.000 0.416 171 D N 0.864 121.374 120.400 0.184 0.000 2.432 171 D HA 0.236 4.876 4.640 -0.000 0.000 0.258 171 D C 0.835 176.960 176.300 -0.292 0.000 1.146 171 D CA -0.662 53.369 54.000 0.050 0.000 1.015 171 D CB 0.808 41.596 40.800 -0.019 0.000 1.107 171 D HN 0.323 nan 8.370 nan 0.000 0.529 172 R N -0.452 119.599 120.500 -0.748 0.000 2.185 172 R HA -0.131 4.208 4.340 -0.000 0.000 0.247 172 R C 0.552 176.482 176.300 -0.617 0.000 1.159 172 R CA 1.539 56.839 56.100 -1.334 0.000 0.988 172 R CB -0.258 29.393 30.300 -1.081 0.000 0.871 172 R HN 0.546 nan 8.270 nan 0.000 0.458 173 D N -1.263 118.945 120.400 -0.320 0.000 2.349 173 D HA 0.046 4.686 4.640 -0.000 0.000 0.215 173 D C 1.190 177.444 176.300 -0.075 0.000 1.016 173 D CA 1.017 54.919 54.000 -0.163 0.000 0.870 173 D CB 0.756 41.488 40.800 -0.113 0.000 0.917 173 D HN 0.472 nan 8.370 nan 0.000 0.524 174 G N 1.000 109.774 108.800 -0.043 0.000 2.175 174 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 174 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 174 G C 0.547 175.470 174.900 0.038 0.000 0.982 174 G CA 0.164 45.285 45.100 0.035 0.000 0.641 174 G HN 0.272 nan 8.290 nan 0.000 0.527 175 T N 2.168 116.732 114.554 0.018 0.000 2.888 175 T HA 0.437 4.787 4.350 -0.000 0.000 0.301 175 T C 0.811 175.547 174.700 0.059 0.000 1.001 175 T CA 0.088 62.204 62.100 0.026 0.000 1.147 175 T CB 0.729 69.602 68.868 0.009 0.000 0.931 175 T HN 0.410 nan 8.240 nan 0.000 0.541 176 R N 2.581 123.116 120.500 0.057 0.000 2.349 176 R HA 0.565 4.905 4.340 -0.000 0.000 0.299 176 R C -0.500 175.850 176.300 0.083 0.000 1.027 176 R CA -0.535 55.611 56.100 0.077 0.000 0.958 176 R CB 0.725 31.059 30.300 0.056 0.000 1.047 176 R HN 0.496 nan 8.270 nan 0.000 0.468 177 L N 2.006 123.303 121.223 0.125 0.000 2.362 177 L HA 0.335 4.675 4.340 -0.000 0.000 0.271 177 L C -0.257 176.710 176.870 0.161 0.000 1.002 177 L CA -1.274 53.641 54.840 0.125 0.000 0.818 177 L CB 1.973 44.111 42.059 0.131 0.000 1.298 177 L HN 0.655 nan 8.230 nan 0.000 0.420 178 D N 0.964 121.438 120.400 0.123 0.000 2.371 178 D HA 0.135 4.775 4.640 -0.000 0.000 0.242 178 D C 1.296 177.722 176.300 0.210 0.000 1.218 178 D CA -0.056 54.022 54.000 0.130 0.000 0.945 178 D CB 0.837 41.686 40.800 0.082 0.000 1.137 178 D HN 0.578 nan 8.370 nan 0.000 0.464 179 G N -0.088 108.834 108.800 0.204 0.000 2.529 179 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 179 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 179 G C 1.497 176.532 174.900 0.226 0.000 1.177 179 G CA 1.697 46.973 45.100 0.293 0.000 0.773 179 G HN 0.693 nan 8.290 nan 0.000 0.573 180 A N 0.715 123.608 122.820 0.121 0.000 1.877 180 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 180 A C 2.216 179.815 177.584 0.025 0.000 1.186 180 A CA 2.308 54.383 52.037 0.064 0.000 0.620 180 A CB -0.495 18.532 19.000 0.046 0.000 0.822 180 A HN 0.437 nan 8.150 nan 0.000 0.443 181 E N 0.169 120.390 120.200 0.035 0.000 2.110 181 E HA -0.049 4.300 4.350 -0.000 0.000 0.193 181 E C 1.924 178.484 176.600 -0.067 0.000 0.988 181 E CA 1.669 58.069 56.400 0.001 0.000 0.804 181 E CB -0.823 28.893 29.700 0.027 0.000 0.745 181 E HN 0.396 nan 8.360 nan 0.000 0.458 182 G N 0.741 109.486 108.800 -0.091 0.000 2.421 182 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 182 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 182 G C 1.609 176.132 174.900 -0.628 0.000 1.171 182 G CA 0.918 45.721 45.100 -0.494 0.000 0.775 182 G HN 0.315 nan 8.290 nan 0.000 0.543 183 L N -0.178 120.808 121.223 -0.394 0.000 2.083 183 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 183 L C 2.918 179.691 176.870 -0.161 0.000 1.083 183 L CA 1.167 55.862 54.840 -0.242 0.000 0.752 183 L CB -0.382 41.639 42.059 -0.063 0.000 0.899 183 L HN 0.203 nan 8.230 nan 0.000 0.433 184 R N 0.518 120.946 120.500 -0.120 0.000 2.064 184 R HA -0.177 4.163 4.340 -0.000 0.000 0.228 184 R C 2.548 178.796 176.300 -0.087 0.000 1.144 184 R CA 1.561 57.615 56.100 -0.077 0.000 0.932 184 R CB -0.206 30.066 30.300 -0.048 0.000 0.833 184 R HN 0.153 nan 8.270 nan 0.000 0.429 185 R N -0.440 120.000 120.500 -0.101 0.000 2.091 185 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 185 R C 1.910 178.155 176.300 -0.092 0.000 1.136 185 R CA 1.899 57.949 56.100 -0.083 0.000 0.959 185 R CB -0.541 29.714 30.300 -0.075 0.000 0.856 185 R HN 0.429 nan 8.270 nan 0.000 0.437 186 G N -0.348 108.361 108.800 -0.151 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 -0.131 174.713 174.900 -0.093 0.000 1.159 186 G CA -0.075 44.949 45.100 -0.127 0.000 0.784 186 G HN 0.384 nan 8.290 nan 0.000 0.535 187 R N -1.165 119.282 120.500 -0.088 0.000 3.267 187 R HA -0.136 4.204 4.340 -0.000 0.000 0.254 187 R C -0.575 175.692 176.300 -0.055 0.000 0.993 187 R CA 0.235 56.301 56.100 -0.058 0.000 0.670 187 R CB -2.290 27.987 30.300 -0.037 0.000 1.125 187 R HN 0.343 nan 8.270 nan 0.000 0.434 188 L N 0.461 121.638 121.223 -0.077 0.000 2.334 188 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 188 L C 0.695 177.550 176.870 -0.025 0.000 1.020 188 L CA -1.105 53.703 54.840 -0.053 0.000 0.812 188 L CB 1.361 43.373 42.059 -0.079 0.000 1.264 188 L HN 0.008 nan 8.230 nan 0.000 0.439 189 Q N 2.272 122.070 119.800 -0.002 0.000 2.245 189 Q HA 0.401 4.741 4.340 -0.000 0.000 0.256 189 Q C -2.345 173.673 176.000 0.029 0.000 0.942 189 Q CA -1.941 53.868 55.803 0.010 0.000 0.896 189 Q CB 1.606 30.350 28.738 0.010 0.000 1.272 189 Q HN 0.306 nan 8.270 nan 0.000 0.442 190 P HA 0.008 nan 4.420 nan 0.000 0.271 190 P C -0.243 177.084 177.300 0.045 0.000 1.216 190 P CA -0.525 62.605 63.100 0.051 0.000 0.771 190 P CB 0.612 32.340 31.700 0.046 0.000 0.864 191 L N 3.242 124.494 121.223 0.049 0.000 2.499 191 L HA 0.174 4.514 4.340 -0.000 0.000 0.273 191 L C 0.041 176.930 176.870 0.032 0.000 1.195 191 L CA 0.769 55.631 54.840 0.036 0.000 0.882 191 L CB -0.505 41.571 42.059 0.029 0.000 1.133 191 L HN 0.303 nan 8.230 nan 0.000 0.483 192 D N 4.996 125.418 120.400 0.038 0.000 2.425 192 D HA 0.214 4.854 4.640 -0.000 0.000 0.240 192 D C -0.059 176.282 176.300 0.068 0.000 1.080 192 D CA -0.237 53.793 54.000 0.050 0.000 0.836 192 D CB 1.001 41.840 40.800 0.064 0.000 1.125 192 D HN 0.661 nan 8.370 nan 0.000 0.525 193 L N 3.164 124.417 121.223 0.050 0.000 2.848 193 L HA 0.057 4.397 4.340 -0.000 0.000 0.240 193 L C 2.024 178.935 176.870 0.069 0.000 1.232 193 L CA -0.120 54.755 54.840 0.058 0.000 1.031 193 L CB -0.020 42.049 42.059 0.017 0.000 1.338 193 L HN 0.347 nan 8.230 nan 0.000 0.509 194 S N -1.970 113.772 115.700 0.070 0.000 2.440 194 S HA -0.226 4.243 4.470 -0.000 0.000 0.238 194 S C 1.475 176.033 174.600 -0.070 0.000 1.010 194 S CA 1.045 59.235 58.200 -0.017 0.000 0.972 194 S CB -0.458 62.696 63.200 -0.077 0.000 0.774 194 S HN 0.530 nan 8.310 nan 0.000 0.501 195 H N 1.483 120.546 119.070 -0.011 0.000 2.556 195 H HA 0.347 4.903 4.556 -0.000 0.000 0.268 195 H C 0.631 175.950 175.328 -0.015 0.000 0.996 195 H CA 0.500 56.538 56.048 -0.016 0.000 1.157 195 H CB -0.156 29.593 29.762 -0.021 0.000 1.355 195 H HN 0.377 nan 8.280 nan 0.000 0.597 196 R N 0.862 121.413 120.500 0.085 0.000 3.532 196 R HA -0.129 4.211 4.340 -0.000 0.000 0.284 196 R C -0.784 175.561 176.300 0.075 0.000 1.140 196 R CA 0.821 56.957 56.100 0.061 0.000 0.768 196 R CB -1.800 28.523 30.300 0.039 0.000 1.252 196 R HN 0.534 nan 8.270 nan 0.000 0.454 197 D N -1.090 119.358 120.400 0.080 0.000 2.615 197 D HA 0.238 4.878 4.640 -0.000 0.000 0.236 197 D C 1.209 177.546 176.300 0.062 0.000 1.233 197 D CA 0.302 54.345 54.000 0.070 0.000 0.829 197 D CB 0.356 41.182 40.800 0.043 0.000 1.024 197 D HN 0.286 nan 8.370 nan 0.000 0.490 198 A N 0.402 123.255 122.820 0.056 0.000 1.933 198 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 198 A C 1.931 179.534 177.584 0.031 0.000 1.175 198 A CA 0.798 52.849 52.037 0.023 0.000 0.628 198 A CB -0.498 18.501 19.000 -0.001 0.000 0.814 198 A HN 0.285 nan 8.150 nan 0.000 0.444 199 L N -0.595 120.679 121.223 0.086 0.000 2.456 199 L HA -0.041 4.299 4.340 -0.000 0.000 0.224 199 L C 2.691 179.616 176.870 0.092 0.000 1.148 199 L CA 1.249 56.153 54.840 0.106 0.000 0.825 199 L CB -0.506 41.670 42.059 0.196 0.000 0.937 199 L HN 0.388 nan 8.230 nan 0.000 0.450 200 A N -1.134 121.738 122.820 0.086 0.000 2.066 200 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 200 A C 2.138 179.742 177.584 0.032 0.000 1.157 200 A CA 1.098 53.178 52.037 0.071 0.000 0.670 200 A CB -0.287 18.753 19.000 0.066 0.000 0.804 200 A HN 0.405 nan 8.150 nan 0.000 0.453 201 L N -1.156 120.076 121.223 0.014 0.000 2.470 201 L HA 0.136 4.476 4.340 -0.000 0.000 0.219 201 L C -0.120 176.736 176.870 -0.024 0.000 1.071 201 L CA 0.178 55.013 54.840 -0.010 0.000 0.850 201 L CB 0.496 42.542 42.059 -0.021 0.000 1.040 201 L HN 0.049 nan 8.230 nan 0.000 0.475 202 V N 1.781 121.676 119.914 -0.032 0.000 2.240 202 V HA 0.431 4.551 4.120 -0.000 0.000 0.265 202 V C -0.514 175.563 176.094 -0.029 0.000 1.073 202 V CA -0.305 61.959 62.300 -0.060 0.000 0.857 202 V CB 0.162 31.912 31.823 -0.122 0.000 1.114 202 V HN 0.317 nan 8.190 nan 0.000 0.469 203 N N 2.107 120.801 118.700 -0.010 0.000 3.533 203 N HA 0.478 5.218 4.740 -0.000 0.000 0.229 203 N C -0.078 175.455 175.510 0.039 0.000 1.418 203 N CA 0.588 53.652 53.050 0.023 0.000 0.880 203 N CB 2.108 40.627 38.487 0.053 0.000 1.415 203 N HN 0.827 nan 8.380 nan 0.000 0.491 204 G N -0.017 108.838 108.800 0.092 0.000 2.697 204 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.240 204 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.240 204 G C 0.187 175.134 174.900 0.077 0.000 1.346 204 G CA 0.518 45.675 45.100 0.096 0.000 0.887 204 G HN 1.279 nan 8.290 nan 0.000 0.569 205 T N -3.093 111.491 114.554 0.051 0.000 3.275 205 T HA 0.578 4.928 4.350 -0.000 0.000 0.265 205 T C 1.772 176.478 174.700 0.011 0.000 0.978 205 T CA 0.920 63.042 62.100 0.037 0.000 0.923 205 T CB 0.445 69.332 68.868 0.032 0.000 1.126 205 T HN 0.830 nan 8.240 nan 0.000 0.538 206 S N 1.698 117.400 115.700 0.004 0.000 2.370 206 S HA -0.074 4.396 4.470 -0.000 0.000 0.226 206 S C 2.473 177.066 174.600 -0.013 0.000 1.033 206 S CA 1.292 59.486 58.200 -0.011 0.000 1.011 206 S CB -0.590 62.600 63.200 -0.016 0.000 0.852 206 S HN 0.835 nan 8.310 nan 0.000 0.457 207 A N 2.662 125.478 122.820 -0.006 0.000 1.855 207 A HA -0.082 4.237 4.320 -0.000 0.000 0.215 207 A C 2.286 179.873 177.584 0.005 0.000 1.191 207 A CA 1.761 53.795 52.037 -0.005 0.000 0.613 207 A CB -0.798 18.202 19.000 -0.001 0.000 0.829 207 A HN 0.661 nan 8.150 nan 0.000 0.442 208 M N -1.550 118.057 119.600 0.012 0.000 2.213 208 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 208 M C 1.799 178.108 176.300 0.014 0.000 1.062 208 M CA 2.273 57.585 55.300 0.020 0.000 1.105 208 M CB -1.302 31.313 32.600 0.025 0.000 1.385 208 M HN 0.156 nan 8.290 nan 0.000 0.417 209 T N 1.182 115.735 114.554 -0.001 0.000 2.777 209 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 209 T C 1.972 176.669 174.700 -0.004 0.000 1.040 209 T CA 1.667 63.758 62.100 -0.015 0.000 1.141 209 T CB -0.725 68.125 68.868 -0.030 0.000 0.868 209 T HN 0.720 nan 8.240 nan 0.000 0.444 210 G N 1.203 109.999 108.800 -0.007 0.000 2.402 210 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 210 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 210 G C 1.525 176.438 174.900 0.021 0.000 1.162 210 G CA 0.430 45.526 45.100 -0.008 0.000 0.777 210 G HN 0.480 nan 8.290 nan 0.000 0.539 211 I N 1.429 122.017 120.570 0.030 0.000 2.226 211 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 211 I C 3.263 179.431 176.117 0.086 0.000 1.100 211 I CA 1.035 62.367 61.300 0.054 0.000 1.374 211 I CB -0.167 37.862 38.000 0.048 0.000 1.057 211 I HN 0.232 nan 8.210 nan 0.000 0.413 212 A N 1.200 124.074 122.820 0.090 0.000 1.933 212 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 212 A C 2.237 179.926 177.584 0.176 0.000 1.175 212 A CA 1.783 53.912 52.037 0.153 0.000 0.628 212 A CB -0.811 18.256 19.000 0.110 0.000 0.814 212 A HN 0.518 nan 8.150 nan 0.000 0.444 213 L N -2.244 119.047 121.223 0.113 0.000 2.217 213 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 213 L C 1.938 178.917 176.870 0.181 0.000 1.107 213 L CA 1.411 56.327 54.840 0.126 0.000 0.783 213 L CB -1.006 41.093 42.059 0.067 0.000 0.919 213 L HN -0.006 nan 8.230 nan 0.000 0.442 214 V N 0.868 120.888 119.914 0.176 0.000 2.453 214 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 214 V C 2.433 178.652 176.094 0.208 0.000 1.048 214 V CA 1.656 64.102 62.300 0.243 0.000 1.049 214 V CB -0.916 31.015 31.823 0.179 0.000 0.672 214 V HN 0.503 nan 8.190 nan 0.000 0.457 215 N N 0.904 119.698 118.700 0.156 0.000 2.120 215 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 215 N C 1.930 177.490 175.510 0.084 0.000 1.024 215 N CA 1.688 54.805 53.050 0.113 0.000 0.852 215 N CB -0.576 37.959 38.487 0.081 0.000 1.003 215 N HN 0.469 nan 8.380 nan 0.000 0.424 216 A N 0.386 123.279 122.820 0.121 0.000 1.908 216 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 216 A C 2.125 179.735 177.584 0.043 0.000 1.181 216 A CA 1.953 54.046 52.037 0.093 0.000 0.627 216 A CB -0.985 18.129 19.000 0.189 0.000 0.818 216 A HN 0.466 nan 8.150 nan 0.000 0.445 217 H N -0.273 118.774 119.070 -0.038 0.000 2.321 217 H HA 0.065 4.621 4.556 -0.000 0.000 0.300 217 H C 2.205 177.462 175.328 -0.118 0.000 1.087 217 H CA 1.922 57.868 56.048 -0.170 0.000 1.319 217 H CB -0.244 29.283 29.762 -0.392 0.000 1.379 217 H HN 0.396 nan 8.280 nan 0.000 0.501 218 A N -0.408 122.435 122.820 0.039 0.000 1.933 218 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 218 A C 2.681 180.255 177.584 -0.017 0.000 1.175 218 A CA 1.446 53.510 52.037 0.044 0.000 0.628 218 A CB -1.193 17.870 19.000 0.106 0.000 0.814 218 A HN 0.646 nan 8.150 nan 0.000 0.444 219 C N -1.347 117.960 119.300 0.012 0.000 2.435 219 C HA -0.018 4.441 4.460 -0.000 0.000 0.279 219 C C 2.768 177.742 174.990 -0.028 0.000 1.321 219 C CA 1.115 60.183 59.018 0.083 0.000 1.752 219 C CB -1.330 26.488 27.740 0.131 0.000 1.959 219 C HN 0.729 nan 8.230 nan 0.000 0.500 220 R N -0.085 120.296 120.500 -0.198 0.000 2.066 220 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 220 R C 2.277 178.370 176.300 -0.345 0.000 1.131 220 R CA 1.516 57.417 56.100 -0.332 0.000 0.955 220 R CB -0.414 29.588 30.300 -0.497 0.000 0.851 220 R HN 0.593 nan 8.270 nan 0.000 0.432 221 H N 0.542 119.482 119.070 -0.218 0.000 2.353 221 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 221 H C 2.170 177.492 175.328 -0.010 0.000 1.090 221 H CA 1.656 57.627 56.048 -0.127 0.000 1.327 221 H CB -0.209 29.473 29.762 -0.132 0.000 1.383 221 H HN 0.251 nan 8.280 nan 0.000 0.508 222 L N -0.227 120.963 121.223 -0.055 0.000 2.141 222 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 222 L C 2.753 179.453 176.870 -0.283 0.000 1.094 222 L CA 0.984 55.606 54.840 -0.363 0.000 0.763 222 L CB -0.716 40.742 42.059 -1.003 0.000 0.908 222 L HN 0.293 nan 8.230 nan 0.000 0.437 223 G N -0.055 108.714 108.800 -0.050 0.000 2.422 223 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 223 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 223 G C 1.394 176.371 174.900 0.128 0.000 1.146 223 G CA 0.489 45.736 45.100 0.246 0.000 0.769 223 G HN 0.317 nan 8.290 nan 0.000 0.547 224 N N 0.037 118.708 118.700 -0.048 0.000 2.188 224 N HA -0.077 4.662 4.740 -0.000 0.000 0.184 224 N C 1.831 177.247 175.510 -0.156 0.000 1.018 224 N CA 0.790 53.757 53.050 -0.139 0.000 0.858 224 N CB -0.307 38.038 38.487 -0.237 0.000 0.989 224 N HN 0.574 nan 8.380 nan 0.000 0.426 225 W N 1.650 122.903 121.300 -0.080 0.000 2.418 225 W HA 0.077 4.737 4.660 -0.000 0.000 0.292 225 W C 2.508 179.000 176.519 -0.044 0.000 1.213 225 W CA 1.097 58.393 57.345 -0.082 0.000 1.283 225 W CB -0.404 28.963 29.460 -0.155 0.000 1.119 225 W HN 0.020 nan 8.180 nan 0.000 0.542 226 A N -0.158 122.780 122.820 0.197 0.000 1.940 226 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 226 A C 1.991 179.663 177.584 0.146 0.000 1.176 226 A CA 2.158 54.326 52.037 0.218 0.000 0.631 226 A CB -1.081 18.143 19.000 0.373 0.000 0.814 226 A HN 0.107 nan 8.150 nan 0.000 0.446 227 V N -0.421 119.564 119.914 0.119 0.000 2.323 227 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 227 V C 3.064 179.140 176.094 -0.030 0.000 1.041 227 V CA 1.838 64.152 62.300 0.023 0.000 1.025 227 V CB -1.143 30.698 31.823 0.029 0.000 0.656 227 V HN 0.609 nan 8.190 nan 0.000 0.451 228 A N -0.283 122.509 122.820 -0.046 0.000 1.933 228 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 228 A C 2.166 179.765 177.584 0.026 0.000 1.175 228 A CA 1.762 53.760 52.037 -0.065 0.000 0.628 228 A CB -0.501 18.372 19.000 -0.212 0.000 0.814 228 A HN 0.525 nan 8.150 nan 0.000 0.444 229 L N -1.266 120.013 121.223 0.093 0.000 2.179 229 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 229 L C 2.612 179.544 176.870 0.103 0.000 1.096 229 L CA 1.381 56.294 54.840 0.122 0.000 0.779 229 L CB -0.784 41.370 42.059 0.160 0.000 0.922 229 L HN 0.289 nan 8.230 nan 0.000 0.443 230 T N 0.181 114.786 114.554 0.085 0.000 2.821 230 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 230 T C 2.064 176.868 174.700 0.172 0.000 1.046 230 T CA 1.300 63.461 62.100 0.102 0.000 1.139 230 T CB -0.082 68.793 68.868 0.013 0.000 0.871 230 T HN 0.425 nan 8.240 nan 0.000 0.454 231 A N 1.346 124.229 122.820 0.105 0.000 1.877 231 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 231 A C 2.203 179.903 177.584 0.195 0.000 1.186 231 A CA 1.226 53.384 52.037 0.201 0.000 0.620 231 A CB -0.848 18.203 19.000 0.085 0.000 0.822 231 A HN 0.399 nan 8.150 nan 0.000 0.443 232 L N -0.708 120.588 121.223 0.121 0.000 2.131 232 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 232 L C 2.207 179.135 176.870 0.097 0.000 1.092 232 L CA 1.798 56.696 54.840 0.096 0.000 0.759 232 L CB -0.688 41.417 42.059 0.078 0.000 0.903 232 L HN 0.383 nan 8.230 nan 0.000 0.435 233 L N -0.168 121.123 121.223 0.113 0.000 2.042 233 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 233 L C 2.492 179.424 176.870 0.102 0.000 1.076 233 L CA 2.092 56.991 54.840 0.098 0.000 0.749 233 L CB -1.035 41.092 42.059 0.114 0.000 0.893 233 L HN 0.266 nan 8.230 nan 0.000 0.432 234 A N -0.750 122.164 122.820 0.157 0.000 1.902 234 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 234 A C 2.128 179.742 177.584 0.049 0.000 1.181 234 A CA 1.819 53.916 52.037 0.100 0.000 0.623 234 A CB -0.653 18.430 19.000 0.137 0.000 0.818 234 A HN 0.639 nan 8.150 nan 0.000 0.443 235 E N -1.076 119.166 120.200 0.071 0.000 2.268 235 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 235 E C 1.641 178.260 176.600 0.031 0.000 0.995 235 E CA 0.953 57.380 56.400 0.045 0.000 0.836 235 E CB -0.280 29.453 29.700 0.054 0.000 0.763 235 E HN 0.685 nan 8.360 nan 0.000 0.491 236 C N -0.046 119.274 119.300 0.034 0.000 2.634 236 C HA 0.161 4.621 4.460 -0.000 0.000 0.268 236 C C 1.684 176.680 174.990 0.011 0.000 1.322 236 C CA -0.002 59.029 59.018 0.020 0.000 1.737 236 C CB -0.180 27.572 27.740 0.019 0.000 1.976 236 C HN 0.319 nan 8.230 nan 0.000 0.547 237 L N -0.056 121.174 121.223 0.012 0.000 3.168 237 L HA 0.285 4.625 4.340 -0.000 0.000 0.277 237 L C 0.304 177.168 176.870 -0.009 0.000 1.245 237 L CA -0.101 54.740 54.840 0.002 0.000 1.035 237 L CB -0.281 41.783 42.059 0.008 0.000 1.399 237 L HN 0.221 nan 8.230 nan 0.000 0.580 238 R N 0.649 121.142 120.500 -0.011 0.000 3.322 238 R HA -0.161 4.179 4.340 -0.000 0.000 0.253 238 R C 0.708 176.979 176.300 -0.048 0.000 0.987 238 R CA 0.455 56.541 56.100 -0.023 0.000 0.666 238 R CB -1.904 28.385 30.300 -0.018 0.000 1.072 238 R HN 0.511 nan 8.270 nan 0.000 0.447 239 G N 0.612 109.371 108.800 -0.068 0.000 2.544 239 G HA2 0.198 4.158 3.960 -0.000 0.000 0.242 239 G HA3 0.198 4.158 3.960 -0.000 0.000 0.242 239 G C 0.035 174.804 174.900 -0.219 0.000 1.247 239 G CA -0.601 44.417 45.100 -0.137 0.000 0.840 239 G HN 0.246 nan 8.290 nan 0.000 0.578 240 R N 0.413 120.751 120.500 -0.271 0.000 2.221 240 R HA 0.231 4.571 4.340 -0.000 0.000 0.327 240 R C 1.537 177.532 176.300 -0.508 0.000 1.033 240 R CA 0.194 56.125 56.100 -0.282 0.000 0.887 240 R CB 0.920 31.110 30.300 -0.182 0.000 1.057 240 R HN 0.704 nan 8.270 nan 0.000 0.455 241 T N -1.189 113.115 114.554 -0.415 0.000 3.055 241 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 241 T C 1.439 175.981 174.700 -0.263 0.000 1.111 241 T CA 0.903 62.734 62.100 -0.449 0.000 1.118 241 T CB -0.033 68.726 68.868 -0.182 0.000 0.909 241 T HN 0.744 nan 8.240 nan 0.000 0.501 242 E N 1.841 121.930 120.200 -0.185 0.000 2.265 242 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 242 E C 2.202 178.766 176.600 -0.060 0.000 0.996 242 E CA 0.931 57.279 56.400 -0.085 0.000 0.832 242 E CB -0.569 29.097 29.700 -0.057 0.000 0.756 242 E HN 0.612 nan 8.360 nan 0.000 0.491 243 A N 0.684 123.415 122.820 -0.148 0.000 2.121 243 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 243 A C 0.964 178.674 177.584 0.211 0.000 1.154 243 A CA 0.639 52.657 52.037 -0.032 0.000 0.679 243 A CB -0.583 18.361 19.000 -0.093 0.000 0.795 243 A HN 0.497 nan 8.150 nan 0.000 0.458 244 W N -0.396 120.904 121.300 0.001 0.000 3.239 244 W HA 0.597 5.257 4.660 -0.000 0.000 0.368 244 W C 0.829 177.351 176.519 0.004 0.000 1.154 244 W CA -1.081 56.266 57.345 0.004 0.000 1.860 244 W CB -1.297 28.168 29.460 0.009 0.000 1.094 244 W HN 0.337 nan 8.180 nan 0.000 0.643 245 A N 0.888 123.817 122.820 0.182 0.000 2.531 245 A HA 0.413 4.733 4.320 -0.000 0.000 0.236 245 A C 1.692 179.330 177.584 0.090 0.000 1.062 245 A CA 0.742 52.843 52.037 0.106 0.000 0.760 245 A CB 0.555 19.589 19.000 0.057 0.000 0.995 245 A HN 0.254 nan 8.150 nan 0.000 0.501 246 A N 2.410 125.270 122.820 0.067 0.000 1.972 246 A HA 0.129 4.449 4.320 -0.000 0.000 0.219 246 A C 2.357 179.963 177.584 0.036 0.000 1.169 246 A CA 2.208 54.275 52.037 0.049 0.000 0.635 246 A CB -0.941 18.081 19.000 0.037 0.000 0.810 246 A HN 1.757 nan 8.150 nan 0.000 0.446 247 A N -0.126 122.713 122.820 0.031 0.000 1.940 247 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 247 A C 2.133 179.729 177.584 0.021 0.000 1.176 247 A CA 1.592 53.641 52.037 0.021 0.000 0.631 247 A CB -0.571 18.439 19.000 0.017 0.000 0.814 247 A HN 0.500 nan 8.150 nan 0.000 0.446 248 L N -0.626 120.616 121.223 0.031 0.000 2.093 248 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 248 L C 2.817 179.703 176.870 0.027 0.000 1.085 248 L CA 1.307 56.165 54.840 0.030 0.000 0.755 248 L CB -0.410 41.676 42.059 0.045 0.000 0.904 248 L HN 0.326 nan 8.230 nan 0.000 0.435 249 S N -0.283 115.437 115.700 0.034 0.000 2.368 249 S HA -0.176 4.294 4.470 -0.000 0.000 0.225 249 S C 1.505 176.110 174.600 0.009 0.000 1.030 249 S CA 1.321 59.539 58.200 0.029 0.000 0.999 249 S CB -0.274 62.947 63.200 0.035 0.000 0.844 249 S HN 0.449 nan 8.310 nan 0.000 0.459 250 D N 1.420 121.824 120.400 0.007 0.000 2.178 250 D HA -0.014 4.626 4.640 -0.000 0.000 0.201 250 D C 1.748 178.037 176.300 -0.017 0.000 0.980 250 D CA 0.671 54.667 54.000 -0.006 0.000 0.842 250 D CB -0.243 40.556 40.800 -0.001 0.000 0.948 250 D HN 0.333 nan 8.370 nan 0.000 0.472 251 L N -0.476 120.739 121.223 -0.012 0.000 2.217 251 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 251 L C 1.590 178.439 176.870 -0.036 0.000 1.107 251 L CA 0.561 55.390 54.840 -0.019 0.000 0.783 251 L CB 0.148 42.202 42.059 -0.008 0.000 0.919 251 L HN -0.179 nan 8.230 nan 0.000 0.442 252 R N 0.718 121.194 120.500 -0.039 0.000 2.644 252 R HA 0.190 4.530 4.340 -0.000 0.000 0.271 252 R C -2.173 174.060 176.300 -0.111 0.000 1.687 252 R CA -1.395 54.658 56.100 -0.077 0.000 1.655 252 R CB 0.873 31.168 30.300 -0.007 0.000 1.285 252 R HN -0.140 nan 8.270 nan 0.000 0.643 253 P HA -0.101 nan 4.420 nan 0.000 0.297 253 P C -0.663 176.560 177.300 -0.127 0.000 1.544 253 P CA 0.314 63.346 63.100 -0.113 0.000 0.798 253 P CB -0.345 31.299 31.700 -0.094 0.000 1.757 254 H N 0.820 119.892 119.070 0.003 0.000 2.767 254 H HA 0.092 4.648 4.556 -0.000 0.000 0.316 254 H C -1.300 174.042 175.328 0.022 0.000 1.059 254 H CA -1.523 54.530 56.048 0.008 0.000 1.461 254 H CB 0.552 30.314 29.762 -0.000 0.000 1.475 254 H HN 0.085 nan 8.280 nan 0.000 0.531 255 P HA -0.149 nan 4.420 nan 0.000 0.216 255 P C 1.629 179.005 177.300 0.126 0.000 1.153 255 P CA 1.637 64.800 63.100 0.106 0.000 0.858 255 P CB 0.136 31.891 31.700 0.093 0.000 0.789 256 G N -0.486 108.407 108.800 0.155 0.000 2.422 256 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 256 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 256 G C 1.670 176.675 174.900 0.175 0.000 1.146 256 G CA 0.607 45.831 45.100 0.207 0.000 0.769 256 G HN 0.319 nan 8.290 nan 0.000 0.547 257 Q N 0.077 119.944 119.800 0.112 0.000 2.083 257 Q HA -0.044 4.296 4.340 -0.000 0.000 0.198 257 Q C 2.461 178.499 176.000 0.063 0.000 0.969 257 Q CA 1.435 57.275 55.803 0.062 0.000 0.838 257 Q CB -0.179 28.609 28.738 0.082 0.000 0.900 257 Q HN 0.507 nan 8.270 nan 0.000 0.436 258 K N 0.195 120.640 120.400 0.076 0.000 2.057 258 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 258 K C 1.651 178.282 176.600 0.052 0.000 1.049 258 K CA 1.862 58.182 56.287 0.054 0.000 0.931 258 K CB -0.150 32.379 32.500 0.047 0.000 0.714 258 K HN 0.177 nan 8.250 nan 0.000 0.440 259 D N -0.063 120.382 120.400 0.076 0.000 2.097 259 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 259 D C 1.716 178.069 176.300 0.088 0.000 0.984 259 D CA 1.530 55.572 54.000 0.070 0.000 0.826 259 D CB -0.070 40.776 40.800 0.077 0.000 0.973 259 D HN 0.323 nan 8.370 nan 0.000 0.460 260 A N 0.570 123.485 122.820 0.159 0.000 1.877 260 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 260 A C 2.399 179.947 177.584 -0.061 0.000 1.186 260 A CA 2.410 54.524 52.037 0.128 0.000 0.620 260 A CB -1.178 17.837 19.000 0.026 0.000 0.822 260 A HN 0.327 nan 8.150 nan 0.000 0.443 261 A N -0.198 122.583 122.820 -0.066 0.000 1.902 261 A HA 0.149 4.469 4.320 -0.000 0.000 0.217 261 A C 2.522 180.081 177.584 -0.042 0.000 1.181 261 A CA 2.193 54.174 52.037 -0.093 0.000 0.623 261 A CB -1.063 17.942 19.000 0.007 0.000 0.818 261 A HN 1.086 nan 8.150 nan 0.000 0.443 262 A N -0.114 122.702 122.820 -0.005 0.000 1.877 262 A HA -0.184 4.135 4.320 -0.000 0.000 0.216 262 A C 2.236 179.812 177.584 -0.014 0.000 1.186 262 A CA 1.698 53.739 52.037 0.006 0.000 0.620 262 A CB -0.464 18.541 19.000 0.009 0.000 0.822 262 A HN 0.552 nan 8.150 nan 0.000 0.443 263 R N -0.612 119.867 120.500 -0.035 0.000 2.092 263 R HA 0.017 4.357 4.340 -0.000 0.000 0.231 263 R C 2.038 178.287 176.300 -0.085 0.000 1.119 263 R CA 1.278 57.346 56.100 -0.053 0.000 0.970 263 R CB -0.462 29.810 30.300 -0.048 0.000 0.864 263 R HN 0.507 nan 8.270 nan 0.000 0.440 264 L N 0.172 121.293 121.223 -0.170 0.000 2.027 264 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 264 L C 2.550 179.407 176.870 -0.022 0.000 1.074 264 L CA 1.418 56.074 54.840 -0.307 0.000 0.745 264 L CB -0.324 41.184 42.059 -0.917 0.000 0.898 264 L HN 0.147 nan 8.230 nan 0.000 0.433 265 R N -0.161 120.384 120.500 0.076 0.000 2.081 265 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 265 R C 2.393 178.752 176.300 0.098 0.000 1.131 265 R CA 1.360 57.563 56.100 0.173 0.000 0.960 265 R CB -0.533 29.850 30.300 0.138 0.000 0.856 265 R HN 0.360 nan 8.270 nan 0.000 0.436 266 A N 1.312 124.156 122.820 0.041 0.000 1.933 266 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 266 A C 2.049 179.644 177.584 0.019 0.000 1.175 266 A CA 1.092 53.141 52.037 0.020 0.000 0.628 266 A CB -0.261 18.735 19.000 -0.006 0.000 0.814 266 A HN 0.101 nan 8.150 nan 0.000 0.444 267 R N -0.193 120.315 120.500 0.014 0.000 2.096 267 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 267 R C 1.941 178.274 176.300 0.055 0.000 1.127 267 R CA 1.756 57.864 56.100 0.014 0.000 0.968 267 R CB -1.324 28.973 30.300 -0.006 0.000 0.861 267 R HN 0.664 nan 8.270 nan 0.000 0.440 268 V N -0.974 119.005 119.914 0.109 0.000 3.649 268 V HA 0.098 4.218 4.120 -0.000 0.000 0.275 268 V C 0.296 176.435 176.094 0.076 0.000 1.281 268 V CA -0.492 61.879 62.300 0.117 0.000 1.143 268 V CB -0.703 31.237 31.823 0.195 0.000 0.892 268 V HN -0.032 nan 8.190 nan 0.000 0.441 269 D N 1.260 121.695 120.400 0.059 0.000 2.493 269 D HA 0.404 5.044 4.640 -0.000 0.000 0.240 269 D C 1.445 177.761 176.300 0.027 0.000 1.142 269 D CA 1.859 55.882 54.000 0.038 0.000 0.872 269 D CB 0.388 41.205 40.800 0.028 0.000 1.173 269 D HN 0.544 nan 8.370 nan 0.000 0.467 270 G N 2.377 111.189 108.800 0.020 0.000 2.195 270 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 270 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 270 G C 0.445 175.355 174.900 0.017 0.000 0.984 270 G CA 0.252 45.361 45.100 0.015 0.000 0.633 270 G HN 0.766 nan 8.290 nan 0.000 0.525 271 S N 0.202 115.915 115.700 0.023 0.000 2.548 271 S HA 0.666 5.136 4.470 -0.000 0.000 0.277 271 S C 1.216 175.824 174.600 0.015 0.000 1.315 271 S CA 0.818 59.032 58.200 0.024 0.000 1.050 271 S CB 1.307 64.529 63.200 0.035 0.000 0.918 271 S HN 1.595 nan 8.310 nan 0.000 0.497 272 A N 5.315 128.144 122.820 0.015 0.000 2.470 272 A HA 0.333 4.653 4.320 -0.000 0.000 0.251 272 A C 1.740 179.333 177.584 0.015 0.000 1.245 272 A CA -0.336 51.709 52.037 0.013 0.000 0.932 272 A CB 0.088 19.097 19.000 0.014 0.000 1.037 272 A HN 0.722 nan 8.150 nan 0.000 0.522 273 R N -0.116 120.393 120.500 0.015 0.000 2.265 273 R HA 0.100 4.440 4.340 -0.000 0.000 0.194 273 R C 0.783 177.085 176.300 0.004 0.000 0.931 273 R CA 0.920 57.027 56.100 0.013 0.000 1.032 273 R CB -0.399 29.911 30.300 0.017 0.000 0.980 273 R HN 0.494 nan 8.270 nan 0.000 0.497 274 V N -1.158 118.755 119.914 -0.002 0.000 2.997 274 V HA 0.432 4.552 4.120 -0.000 0.000 0.311 274 V C 0.481 176.561 176.094 -0.022 0.000 1.066 274 V CA -0.924 61.358 62.300 -0.030 0.000 1.039 274 V CB 1.945 33.738 31.823 -0.051 0.000 1.081 274 V HN -0.258 nan 8.190 nan 0.000 0.467 275 V N 4.091 123.982 119.914 -0.039 0.000 2.364 275 V HA 0.451 4.571 4.120 -0.000 0.000 0.272 275 V C 1.025 177.105 176.094 -0.024 0.000 1.036 275 V CA -0.280 62.031 62.300 0.018 0.000 0.880 275 V CB 0.693 32.526 31.823 0.016 0.000 0.991 275 V HN 0.937 nan 8.190 nan 0.000 0.460 276 R N 1.529 122.010 120.500 -0.032 0.000 2.334 276 R HA 0.187 4.527 4.340 -0.000 0.000 0.212 276 R C -0.158 176.052 176.300 -0.149 0.000 0.897 276 R CA -0.194 55.833 56.100 -0.122 0.000 1.056 276 R CB 0.185 30.385 30.300 -0.166 0.000 1.046 276 R HN 0.735 nan 8.270 nan 0.000 0.513 277 H N 0.232 119.276 119.070 -0.043 0.000 2.886 277 H HA 0.060 4.616 4.556 -0.000 0.000 0.329 277 H C -0.185 175.121 175.328 -0.038 0.000 1.044 277 H CA -0.024 56.004 56.048 -0.034 0.000 1.456 277 H CB 0.815 30.559 29.762 -0.029 0.000 1.464 277 H HN -0.204 nan 8.280 nan 0.000 0.573 278 V N 6.231 126.183 119.914 0.063 0.000 2.405 278 V HA -0.047 4.073 4.120 -0.000 0.000 0.264 278 V C 1.900 178.018 176.094 0.039 0.000 1.048 278 V CA 0.019 62.336 62.300 0.028 0.000 0.966 278 V CB -0.270 31.559 31.823 0.010 0.000 1.015 278 V HN 0.835 nan 8.190 nan 0.000 0.477 279 I N 3.278 123.862 120.570 0.024 0.000 2.315 279 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 279 I C 2.075 178.199 176.117 0.011 0.000 1.125 279 I CA 2.076 63.385 61.300 0.015 0.000 1.392 279 I CB -0.244 37.757 38.000 0.002 0.000 1.065 279 I HN 0.556 nan 8.210 nan 0.000 0.424 280 A N 0.829 123.655 122.820 0.010 0.000 2.172 280 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 280 A C 2.134 179.724 177.584 0.010 0.000 1.154 280 A CA 0.996 53.037 52.037 0.007 0.000 0.701 280 A CB -0.489 18.514 19.000 0.006 0.000 0.789 280 A HN 0.523 nan 8.150 nan 0.000 0.465 281 E N 0.126 120.336 120.200 0.016 0.000 2.152 281 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 281 E C 1.167 177.776 176.600 0.015 0.000 0.983 281 E CA 0.231 56.643 56.400 0.019 0.000 0.818 281 E CB -0.240 29.479 29.700 0.032 0.000 0.758 281 E HN 0.637 nan 8.360 nan 0.000 0.467 282 R N 1.823 122.331 120.500 0.012 0.000 2.449 282 R HA 0.039 4.379 4.340 -0.000 0.000 0.296 282 R C -0.344 175.957 176.300 0.001 0.000 1.047 282 R CA 0.083 56.185 56.100 0.003 0.000 1.018 282 R CB 0.394 30.691 30.300 -0.005 0.000 0.962 282 R HN -0.121 nan 8.270 nan 0.000 0.428 283 R N 5.644 126.143 120.500 -0.001 0.000 2.229 283 R HA 0.263 4.603 4.340 -0.000 0.000 0.332 283 R C -0.414 175.883 176.300 -0.004 0.000 0.989 283 R CA -0.586 55.514 56.100 -0.001 0.000 0.842 283 R CB 1.041 31.340 30.300 -0.000 0.000 1.119 283 R HN 0.481 nan 8.270 nan 0.000 0.456 284 L N 3.223 124.444 121.223 -0.004 0.000 2.418 284 L HA 0.276 4.616 4.340 -0.000 0.000 0.265 284 L C 0.709 177.576 176.870 -0.005 0.000 1.143 284 L CA -0.252 54.584 54.840 -0.006 0.000 0.809 284 L CB 0.558 42.614 42.059 -0.006 0.000 1.124 284 L HN 0.690 nan 8.230 nan 0.000 0.456 285 D N 1.308 121.705 120.400 -0.006 0.000 2.687 285 D HA 0.343 4.983 4.640 -0.000 0.000 0.264 285 D C 0.559 176.856 176.300 -0.005 0.000 1.091 285 D CA -0.320 53.677 54.000 -0.005 0.000 1.123 285 D CB 1.642 42.439 40.800 -0.005 0.000 1.407 285 D HN 0.442 nan 8.370 nan 0.000 0.591 286 A N 0.176 122.993 122.820 -0.005 0.000 1.892 286 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 286 A C 2.053 179.633 177.584 -0.005 0.000 1.188 286 A CA 2.431 54.465 52.037 -0.005 0.000 0.631 286 A CB -1.632 17.366 19.000 -0.004 0.000 0.822 286 A HN 0.717 nan 8.150 nan 0.000 0.447 287 G N -1.136 107.660 108.800 -0.006 0.000 2.653 287 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.212 287 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.212 287 G C 0.730 175.625 174.900 -0.008 0.000 1.138 287 G CA 0.972 46.068 45.100 -0.007 0.000 0.782 287 G HN 0.523 nan 8.290 nan 0.000 0.535 288 D N 0.080 120.475 120.400 -0.008 0.000 2.346 288 D HA 0.044 4.684 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 -0.169 53.825 54.000 -0.010 0.000 0.871 288 D CB 0.577 41.370 40.800 -0.011 0.000 0.943 288 D HN 0.130 nan 8.370 nan 0.000 0.518 289 I N 1.499 122.064 120.570 -0.007 0.000 2.668 289 I HA 0.288 4.457 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 0.886 62.182 61.300 -0.006 0.000 1.424 289 I CB 0.088 38.085 38.000 -0.005 0.000 1.377 289 I HN 0.059 nan 8.210 nan 0.000 0.560 290 G N 5.742 114.538 108.800 -0.007 0.000 2.373 290 G HA2 0.074 4.034 3.960 -0.000 0.000 0.250 290 G HA3 0.074 4.034 3.960 -0.000 0.000 0.250 290 G C -1.076 173.819 174.900 -0.007 0.000 1.304 290 G CA -0.661 44.435 45.100 -0.007 0.000 0.948 290 G HN 0.432 nan 8.290 nan 0.000 0.474 291 T N 1.848 116.397 114.554 -0.008 0.000 2.770 291 T HA 0.590 4.940 4.350 -0.000 0.000 0.283 291 T C -0.263 174.431 174.700 -0.010 0.000 0.988 291 T CA -0.272 61.823 62.100 -0.009 0.000 0.957 291 T CB 1.516 70.379 68.868 -0.008 0.000 0.930 291 T HN 0.463 nan 8.240 nan 0.000 0.443 292 E N 3.074 123.267 120.200 -0.011 0.000 2.319 292 E HA 0.206 4.556 4.350 -0.000 0.000 0.268 292 E C -1.293 175.298 176.600 -0.014 0.000 1.050 292 E CA -2.002 54.389 56.400 -0.014 0.000 0.878 292 E CB 0.839 30.530 29.700 -0.016 0.000 1.066 292 E HN 0.336 nan 8.360 nan 0.000 0.406 293 P HA -0.138 nan 4.420 nan 0.000 0.216 293 P C -0.653 176.638 177.300 -0.016 0.000 1.150 293 P CA 1.370 64.460 63.100 -0.015 0.000 0.837 293 P CB 0.317 32.007 31.700 -0.017 0.000 0.786 294 E N -1.610 118.579 120.200 -0.017 0.000 2.367 294 E HA 0.604 4.954 4.350 -0.000 0.000 0.273 294 E C -0.943 175.648 176.600 -0.014 0.000 0.903 294 E CA -1.154 55.236 56.400 -0.016 0.000 0.764 294 E CB 2.019 31.709 29.700 -0.018 0.000 1.252 294 E HN -0.109 nan 8.360 nan 0.000 0.446 295 A N 0.588 123.401 122.820 -0.011 0.000 2.327 295 A HA 0.439 4.759 4.320 -0.000 0.000 0.255 295 A C 1.165 178.745 177.584 -0.008 0.000 1.099 295 A CA 0.349 52.382 52.037 -0.006 0.000 0.801 295 A CB 0.004 19.004 19.000 0.000 0.000 1.062 295 A HN 0.781 nan 8.150 nan 0.000 0.496 296 G N -1.005 107.792 108.800 -0.005 0.000 2.848 296 G HA2 0.314 4.274 3.960 -0.000 0.000 0.208 296 G HA3 0.314 4.274 3.960 -0.000 0.000 0.208 296 G C 0.416 175.311 174.900 -0.007 0.000 1.152 296 G CA 0.326 45.421 45.100 -0.008 0.000 0.789 296 G HN 0.697 nan 8.290 nan 0.000 0.531 297 Q N 0.031 119.833 119.800 0.002 0.000 2.421 297 Q HA 0.306 4.646 4.340 -0.000 0.000 0.280 297 Q C -1.530 174.482 176.000 0.020 0.000 1.085 297 Q CA -1.037 54.771 55.803 0.009 0.000 0.807 297 Q CB 2.044 30.802 28.738 0.034 0.000 1.405 297 Q HN 0.018 nan 8.270 nan 0.000 0.419 298 D N 0.645 121.056 120.400 0.018 0.000 2.383 298 D HA 0.397 5.037 4.640 -0.000 0.000 0.248 298 D C -0.158 176.205 176.300 0.104 0.000 1.170 298 D CA -0.139 53.882 54.000 0.035 0.000 0.977 298 D CB 0.843 41.650 40.800 0.010 0.000 1.120 298 D HN 0.624 nan 8.370 nan 0.000 0.481 299 A N 0.318 123.193 122.820 0.091 0.000 2.386 299 A HA 0.002 4.322 4.320 -0.000 0.000 0.246 299 A C 0.589 178.333 177.584 0.266 0.000 1.089 299 A CA -0.056 52.047 52.037 0.110 0.000 0.790 299 A CB -0.095 18.927 19.000 0.037 0.000 1.042 299 A HN 0.540 nan 8.150 nan 0.000 0.497 300 Y N 0.854 121.172 120.300 0.031 0.000 2.315 300 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 300 Y C 2.871 178.806 175.900 0.059 0.000 1.154 300 Y CA 1.512 59.636 58.100 0.041 0.000 1.229 300 Y CB -1.212 37.264 38.460 0.026 0.000 0.980 300 Y HN 0.730 nan 8.280 nan 0.000 0.540 301 S N -1.190 114.638 115.700 0.213 0.000 2.537 301 S HA -0.075 4.395 4.470 -0.000 0.000 0.240 301 S C 1.688 176.394 174.600 0.177 0.000 0.981 301 S CA 0.971 59.263 58.200 0.153 0.000 0.948 301 S CB -0.486 62.780 63.200 0.109 0.000 0.759 301 S HN 0.461 nan 8.310 nan 0.000 0.531 302 L N -0.466 120.883 121.223 0.210 0.000 2.638 302 L HA 0.370 4.710 4.340 -0.000 0.000 0.195 302 L C 2.666 179.752 176.870 0.360 0.000 1.065 302 L CA 0.141 55.156 54.840 0.290 0.000 0.859 302 L CB -0.181 41.989 42.059 0.185 0.000 1.269 302 L HN 0.159 nan 8.230 nan 0.000 0.484 303 R N -0.060 120.568 120.500 0.214 0.000 2.120 303 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 303 R C 1.443 177.833 176.300 0.151 0.000 1.123 303 R CA 1.693 57.888 56.100 0.158 0.000 0.975 303 R CB -0.147 30.205 30.300 0.086 0.000 0.866 303 R HN 0.391 nan 8.270 nan 0.000 0.446 304 C N 0.190 119.543 119.300 0.089 0.000 2.688 304 C HA 0.444 4.904 4.460 -0.000 0.000 0.297 304 C C 2.067 177.069 174.990 0.021 0.000 1.308 304 C CA -0.390 58.622 59.018 -0.011 0.000 1.726 304 C CB -0.298 27.342 27.740 -0.166 0.000 1.982 304 C HN 0.618 nan 8.230 nan 0.000 0.604 305 A N 2.677 125.553 122.820 0.092 0.000 1.908 305 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 305 A C 0.007 177.510 177.584 -0.136 0.000 1.181 305 A CA 1.796 53.822 52.037 -0.020 0.000 0.627 305 A CB -1.556 17.430 19.000 -0.024 0.000 0.818 305 A HN 0.415 nan 8.150 nan 0.000 0.445 306 P HA -0.157 nan 4.420 nan 0.000 0.215 306 P C 1.258 178.487 177.300 -0.119 0.000 1.153 306 P CA 1.520 64.531 63.100 -0.149 0.000 0.853 306 P CB -0.054 31.605 31.700 -0.068 0.000 0.788 307 Q N -0.998 118.752 119.800 -0.083 0.000 2.083 307 Q HA -0.074 4.266 4.340 -0.000 0.000 0.198 307 Q C 2.116 178.034 176.000 -0.136 0.000 0.969 307 Q CA 1.212 56.962 55.803 -0.089 0.000 0.838 307 Q CB -1.324 27.371 28.738 -0.072 0.000 0.900 307 Q HN 0.104 nan 8.270 nan 0.000 0.436 308 V N 0.216 120.047 119.914 -0.139 0.000 2.283 308 V HA -0.183 3.937 4.120 -0.000 0.000 0.243 308 V C 2.075 178.014 176.094 -0.259 0.000 1.039 308 V CA 1.369 63.574 62.300 -0.159 0.000 1.016 308 V CB -0.586 31.173 31.823 -0.107 0.000 0.650 308 V HN 0.290 nan 8.190 nan 0.000 0.449 309 L N 0.668 121.690 121.223 -0.335 0.000 2.046 309 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 309 L C 2.683 179.017 176.870 -0.893 0.000 1.077 309 L CA 1.805 56.250 54.840 -0.659 0.000 0.747 309 L CB -1.246 40.427 42.059 -0.643 0.000 0.896 309 L HN 0.484 nan 8.230 nan 0.000 0.432 310 G N -0.314 108.194 108.800 -0.485 0.000 2.440 310 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 310 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 310 G C 1.762 176.559 174.900 -0.172 0.000 1.154 310 G CA 0.876 45.826 45.100 -0.250 0.000 0.767 310 G HN 0.480 nan 8.290 nan 0.000 0.552 311 A N 0.741 123.436 122.820 -0.209 0.000 1.930 311 A HA 0.203 4.523 4.320 -0.000 0.000 0.217 311 A C 2.686 180.202 177.584 -0.113 0.000 1.175 311 A CA 1.991 53.925 52.037 -0.171 0.000 0.627 311 A CB -0.926 17.965 19.000 -0.181 0.000 0.815 311 A HN 0.506 nan 8.150 nan 0.000 0.443 312 G N -0.997 107.697 108.800 -0.176 0.000 2.402 312 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 312 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 312 G C 1.287 176.257 174.900 0.118 0.000 1.162 312 G CA 1.029 46.072 45.100 -0.096 0.000 0.777 312 G HN 0.372 nan 8.290 nan 0.000 0.539 313 F N 1.747 121.703 119.950 0.010 0.000 2.171 313 F HA 0.022 4.549 4.527 -0.000 0.000 0.300 313 F C 2.319 178.145 175.800 0.044 0.000 1.090 313 F CA 0.465 58.483 58.000 0.030 0.000 1.293 313 F CB -0.655 38.357 39.000 0.019 0.000 1.013 313 F HN 0.116 nan 8.300 nan 0.000 0.486 314 D N -0.622 119.905 120.400 0.211 0.000 2.178 314 D HA -0.098 4.542 4.640 -0.000 0.000 0.202 314 D C 2.217 178.628 176.300 0.184 0.000 0.974 314 D CA 1.372 55.465 54.000 0.155 0.000 0.841 314 D CB -0.345 40.495 40.800 0.067 0.000 0.953 314 D HN 0.203 nan 8.370 nan 0.000 0.478 315 T N 1.102 115.756 114.554 0.167 0.000 2.812 315 T HA -0.105 4.245 4.350 -0.000 0.000 0.264 315 T C 1.896 176.762 174.700 0.277 0.000 1.042 315 T CA 0.349 62.587 62.100 0.230 0.000 1.140 315 T CB -0.197 68.756 68.868 0.143 0.000 0.870 315 T HN 0.040 nan 8.240 nan 0.000 0.445 316 L N 1.583 122.930 121.223 0.206 0.000 2.083 316 L HA 0.100 4.440 4.340 -0.000 0.000 0.209 316 L C 2.560 179.549 176.870 0.199 0.000 1.083 316 L CA 1.744 56.682 54.840 0.164 0.000 0.752 316 L CB -1.020 41.123 42.059 0.141 0.000 0.899 316 L HN 0.215 nan 8.230 nan 0.000 0.433 317 A N -1.205 121.735 122.820 0.200 0.000 1.902 317 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 317 A C 2.127 179.849 177.584 0.230 0.000 1.181 317 A CA 1.736 53.880 52.037 0.178 0.000 0.623 317 A CB -1.428 17.668 19.000 0.161 0.000 0.818 317 A HN 0.742 nan 8.150 nan 0.000 0.443 318 W N 0.366 121.726 121.300 0.100 0.000 2.379 318 W HA -0.174 4.486 4.660 -0.000 0.000 0.307 318 W C 2.248 178.833 176.519 0.110 0.000 1.200 318 W CA 1.875 59.273 57.345 0.089 0.000 1.297 318 W CB -0.733 28.772 29.460 0.076 0.000 1.140 318 W HN 0.628 nan 8.180 nan 0.000 0.507 319 H N 0.223 119.225 119.070 -0.113 0.000 2.319 319 H HA -0.177 4.379 4.556 -0.000 0.000 0.297 319 H C 1.375 176.582 175.328 -0.202 0.000 1.097 319 H CA 2.440 58.317 56.048 -0.286 0.000 1.285 319 H CB -0.582 29.128 29.762 -0.087 0.000 1.368 319 H HN 0.055 nan 8.280 nan 0.000 0.495 320 D N 0.249 120.702 120.400 0.089 0.000 2.178 320 D HA -0.079 4.561 4.640 -0.000 0.000 0.202 320 D C 2.607 178.872 176.300 -0.057 0.000 0.974 320 D CA 0.595 54.617 54.000 0.037 0.000 0.841 320 D CB -0.212 40.653 40.800 0.108 0.000 0.953 320 D HN 0.394 nan 8.370 nan 0.000 0.478 321 R N 0.244 120.716 120.500 -0.047 0.000 2.062 321 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 321 R C 2.346 178.582 176.300 -0.108 0.000 1.136 321 R CA 0.766 56.848 56.100 -0.030 0.000 0.948 321 R CB -0.478 29.852 30.300 0.050 0.000 0.845 321 R HN 0.092 nan 8.270 nan 0.000 0.430 322 V N 1.468 121.235 119.914 -0.244 0.000 2.343 322 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 322 V C 2.223 178.164 176.094 -0.255 0.000 1.051 322 V CA 1.424 63.561 62.300 -0.271 0.000 1.036 322 V CB -0.431 31.120 31.823 -0.454 0.000 0.654 322 V HN 0.239 nan 8.190 nan 0.000 0.451 323 L N -0.034 120.995 121.223 -0.323 0.000 2.093 323 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 323 L C 2.425 179.203 176.870 -0.152 0.000 1.085 323 L CA 2.302 56.979 54.840 -0.271 0.000 0.755 323 L CB -0.923 40.923 42.059 -0.356 0.000 0.904 323 L HN 0.333 nan 8.230 nan 0.000 0.435 324 T N -0.187 114.303 114.554 -0.107 0.000 2.746 324 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 324 T C 1.963 176.638 174.700 -0.041 0.000 1.039 324 T CA 1.956 64.026 62.100 -0.050 0.000 1.142 324 T CB -0.279 68.602 68.868 0.022 0.000 0.866 324 T HN 0.311 nan 8.240 nan 0.000 0.444 325 I N 0.694 121.231 120.570 -0.056 0.000 2.179 325 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 325 I C 2.730 178.789 176.117 -0.096 0.000 1.088 325 I CA 1.296 62.559 61.300 -0.061 0.000 1.357 325 I CB -0.302 37.639 38.000 -0.097 0.000 1.051 325 I HN 0.202 nan 8.210 nan 0.000 0.409 326 E N 1.297 121.418 120.200 -0.133 0.000 2.058 326 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 326 E C 2.042 178.586 176.600 -0.093 0.000 0.997 326 E CA 1.430 57.754 56.400 -0.126 0.000 0.801 326 E CB -0.349 29.273 29.700 -0.130 0.000 0.746 326 E HN 0.308 nan 8.360 nan 0.000 0.450 327 L N 1.012 122.179 121.223 -0.094 0.000 2.079 327 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 327 L C 1.164 177.981 176.870 -0.089 0.000 1.081 327 L CA 1.884 56.672 54.840 -0.088 0.000 0.752 327 L CB -0.452 41.548 42.059 -0.099 0.000 0.896 327 L HN 0.156 nan 8.230 nan 0.000 0.433 328 N N -0.093 118.554 118.700 -0.089 0.000 2.314 328 N HA 0.215 4.955 4.740 -0.000 0.000 0.200 328 N C 0.267 175.756 175.510 -0.034 0.000 1.135 328 N CA 0.632 53.641 53.050 -0.068 0.000 0.835 328 N CB 0.232 38.687 38.487 -0.054 0.000 0.989 328 N HN 0.439 nan 8.380 nan 0.000 0.478 329 A N 0.162 122.953 122.820 -0.048 0.000 2.261 329 A HA 0.601 4.921 4.320 -0.000 0.000 0.323 329 A C -0.034 177.526 177.584 -0.041 0.000 1.107 329 A CA -0.412 51.596 52.037 -0.047 0.000 0.883 329 A CB 1.077 20.033 19.000 -0.073 0.000 1.251 329 A HN -0.037 nan 8.150 nan 0.000 0.502 330 V N 1.315 121.205 119.914 -0.040 0.000 2.311 330 V HA 0.291 4.411 4.120 -0.000 0.000 0.275 330 V C 0.893 176.964 176.094 -0.039 0.000 1.022 330 V CA 0.406 62.687 62.300 -0.031 0.000 0.830 330 V CB 0.630 32.437 31.823 -0.027 0.000 1.012 330 V HN 1.034 nan 8.190 nan 0.000 0.452 331 T N -0.664 113.876 114.554 -0.023 0.000 3.186 331 T HA 0.195 4.545 4.350 -0.000 0.000 0.257 331 T C 0.183 174.903 174.700 0.034 0.000 1.029 331 T CA -0.532 61.560 62.100 -0.013 0.000 0.916 331 T CB -0.344 68.527 68.868 0.004 0.000 1.041 331 T HN 0.534 nan 8.240 nan 0.000 0.562 332 D N 2.463 122.874 120.400 0.019 0.000 2.360 332 D HA 0.498 5.138 4.640 -0.000 0.000 0.242 332 D C -0.068 176.253 176.300 0.034 0.000 1.184 332 D CA 0.041 54.066 54.000 0.043 0.000 0.930 332 D CB 0.453 41.259 40.800 0.009 0.000 1.161 332 D HN 0.328 nan 8.370 nan 0.000 0.447 333 N N -0.015 118.731 118.700 0.076 0.000 2.537 333 N HA 0.286 5.026 4.740 -0.000 0.000 0.281 333 N C -2.937 172.592 175.510 0.031 0.000 1.097 333 N CA -1.322 51.748 53.050 0.032 0.000 0.964 333 N CB 1.846 40.483 38.487 0.250 0.000 1.588 333 N HN 0.021 nan 8.380 nan 0.000 0.511 334 P HA 0.342 nan 4.420 nan 0.000 0.279 334 P C -0.904 176.065 177.300 -0.552 0.000 1.282 334 P CA -0.458 62.366 63.100 -0.461 0.000 0.788 334 P CB 0.984 32.216 31.700 -0.780 0.000 1.139 335 V N -3.601 115.906 119.914 -0.677 0.000 2.914 335 V HA 0.636 4.755 4.120 -0.000 0.000 0.314 335 V C -1.017 174.595 176.094 -0.803 0.000 1.084 335 V CA -0.942 60.988 62.300 -0.616 0.000 0.963 335 V CB 1.616 33.279 31.823 -0.267 0.000 1.025 335 V HN 0.219 nan 8.190 nan 0.000 0.432 336 F N 2.062 121.995 119.950 -0.027 0.000 2.366 336 F HA 0.612 5.138 4.527 -0.000 0.000 0.366 336 F C -2.409 173.385 175.800 -0.010 0.000 1.096 336 F CA -2.599 55.392 58.000 -0.015 0.000 1.060 336 F CB 1.323 40.321 39.000 -0.003 0.000 1.282 336 F HN 0.294 nan 8.300 nan 0.000 0.450 337 P HA 0.010 nan 4.420 nan 0.000 0.258 337 P C -1.998 175.345 177.300 0.072 0.000 1.187 337 P CA -0.654 62.480 63.100 0.056 0.000 0.767 337 P CB 0.429 32.150 31.700 0.034 0.000 0.770 338 P HA -0.190 nan 4.420 nan 0.000 0.219 338 P C 0.919 178.240 177.300 0.035 0.000 1.146 338 P CA 1.362 64.490 63.100 0.046 0.000 0.808 338 P CB -0.088 31.632 31.700 0.033 0.000 0.779 339 D N -1.571 118.846 120.400 0.030 0.000 2.347 339 D HA 0.005 4.645 4.640 -0.000 0.000 0.215 339 D C 1.478 177.795 176.300 0.028 0.000 0.976 339 D CA 0.988 55.002 54.000 0.024 0.000 0.884 339 D CB -1.196 39.615 40.800 0.017 0.000 0.915 339 D HN 0.196 nan 8.370 nan 0.000 0.526 340 G N 0.239 109.062 108.800 0.039 0.000 2.155 340 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.257 340 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.257 340 G C 1.215 176.137 174.900 0.038 0.000 0.983 340 G CA 1.214 46.339 45.100 0.043 0.000 0.676 340 G HN 0.639 nan 8.290 nan 0.000 0.528 341 S N -1.332 114.387 115.700 0.032 0.000 2.359 341 S HA 0.159 4.629 4.470 -0.000 0.000 0.224 341 S C 1.268 175.888 174.600 0.033 0.000 1.035 341 S CA 1.974 60.191 58.200 0.027 0.000 1.018 341 S CB -0.501 62.711 63.200 0.020 0.000 0.876 341 S HN 2.012 nan 8.310 nan 0.000 0.448 342 V N -3.183 116.756 119.914 0.042 0.000 3.040 342 V HA 0.576 4.696 4.120 -0.000 0.000 0.312 342 V C -2.458 173.683 176.094 0.079 0.000 1.115 342 V CA -2.209 60.123 62.300 0.052 0.000 0.998 342 V CB 1.231 33.080 31.823 0.043 0.000 1.042 342 V HN -0.110 nan 8.190 nan 0.000 0.433 343 P HA 0.222 nan 4.420 nan 0.000 0.217 343 P C 0.264 177.697 177.300 0.222 0.000 1.150 343 P CA 2.077 65.266 63.100 0.149 0.000 0.832 343 P CB 0.188 31.973 31.700 0.142 0.000 0.787 344 A N -1.980 120.921 122.820 0.134 0.000 2.601 344 A HA 0.645 4.965 4.320 -0.000 0.000 0.291 344 A C -1.905 175.642 177.584 -0.062 0.000 1.075 344 A CA -0.545 51.486 52.037 -0.010 0.000 0.671 344 A CB 0.466 19.434 19.000 -0.053 0.000 1.277 344 A HN -0.062 nan 8.150 nan 0.000 0.417 345 L N 1.015 122.107 121.223 -0.219 0.000 2.362 345 L HA 0.607 4.947 4.340 -0.000 0.000 0.271 345 L C -1.075 175.623 176.870 -0.286 0.000 1.002 345 L CA -0.669 54.089 54.840 -0.137 0.000 0.818 345 L CB 2.199 44.189 42.059 -0.116 0.000 1.298 345 L HN 0.835 nan 8.230 nan 0.000 0.420 346 H N 1.101 120.110 119.070 -0.101 0.000 2.505 346 H HA 0.760 5.316 4.556 -0.000 0.000 0.338 346 H C 0.157 175.430 175.328 -0.092 0.000 1.057 346 H CA -0.158 55.833 56.048 -0.096 0.000 1.202 346 H CB 1.997 31.704 29.762 -0.092 0.000 1.466 346 H HN 0.752 nan 8.280 nan 0.000 0.499 347 G N 0.664 109.452 108.800 -0.020 0.000 2.793 347 G HA2 0.441 4.401 3.960 -0.000 0.000 0.248 347 G HA3 0.441 4.401 3.960 -0.000 0.000 0.248 347 G C -0.261 174.514 174.900 -0.208 0.000 1.198 347 G CA -0.291 44.756 45.100 -0.089 0.000 0.865 347 G HN 0.662 nan 8.290 nan 0.000 0.534 348 G N 0.013 108.562 108.800 -0.419 0.000 4.543 348 G HA2 0.286 4.246 3.960 -0.000 0.000 0.286 348 G HA3 0.286 4.246 3.960 -0.000 0.000 0.286 348 G C 0.281 174.559 174.900 -1.037 0.000 1.112 348 G CA -0.126 44.358 45.100 -1.027 0.000 0.870 348 G HN 0.266 nan 8.290 nan 0.000 0.540 349 N N 0.890 119.200 118.700 -0.650 0.000 2.609 349 N HA -0.045 4.695 4.740 -0.000 0.000 0.190 349 N C 1.481 176.821 175.510 -0.283 0.000 1.157 349 N CA 0.364 53.196 53.050 -0.364 0.000 0.918 349 N CB -0.149 38.221 38.487 -0.195 0.000 0.978 349 N HN 0.628 nan 8.380 nan 0.000 0.448 350 F N -1.206 118.726 119.950 -0.030 0.000 2.789 350 F HA 0.332 4.859 4.527 -0.000 0.000 0.300 350 F C 0.829 176.626 175.800 -0.005 0.000 1.132 350 F CA -0.798 57.190 58.000 -0.020 0.000 1.404 350 F CB -0.718 38.269 39.000 -0.023 0.000 1.114 350 F HN -0.168 nan 8.300 nan 0.000 0.584 351 M N 2.811 122.372 119.600 -0.065 0.000 2.429 351 M HA 0.347 4.827 4.480 -0.000 0.000 0.334 351 M C 0.935 177.276 176.300 0.069 0.000 1.560 351 M CA -0.632 54.715 55.300 0.078 0.000 1.291 351 M CB 0.056 32.620 32.600 -0.060 0.000 1.754 351 M HN 0.236 nan 8.290 nan 0.000 0.456 352 G N 3.555 112.417 108.800 0.103 0.000 3.471 352 G HA2 0.045 4.005 3.960 -0.000 0.000 0.254 352 G HA3 0.045 4.005 3.960 -0.000 0.000 0.254 352 G C 0.644 175.580 174.900 0.061 0.000 1.199 352 G CA -0.201 44.945 45.100 0.077 0.000 1.683 352 G HN 0.813 nan 8.290 nan 0.000 0.625 353 Q N -0.085 119.747 119.800 0.052 0.000 2.230 353 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 353 Q C 1.907 177.874 176.000 -0.055 0.000 0.963 353 Q CA 1.337 57.135 55.803 -0.007 0.000 0.866 353 Q CB -0.081 28.628 28.738 -0.049 0.000 0.931 353 Q HN 0.728 nan 8.270 nan 0.000 0.452 354 H N -1.752 117.296 119.070 -0.037 0.000 2.326 354 H HA -0.055 4.501 4.556 -0.000 0.000 0.301 354 H C 1.787 177.036 175.328 -0.131 0.000 1.081 354 H CA 1.739 57.739 56.048 -0.080 0.000 1.334 354 H CB 0.035 29.736 29.762 -0.102 0.000 1.385 354 H HN 0.061 nan 8.280 nan 0.000 0.504 355 V N 0.500 120.423 119.914 0.014 0.000 2.515 355 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 355 V C 2.489 178.574 176.094 -0.015 0.000 1.058 355 V CA 1.391 63.663 62.300 -0.047 0.000 1.064 355 V CB -0.893 30.914 31.823 -0.026 0.000 0.675 355 V HN 0.563 nan 8.190 nan 0.000 0.461 356 A N 0.029 122.854 122.820 0.007 0.000 1.877 356 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 356 A C 2.204 179.805 177.584 0.028 0.000 1.186 356 A CA 1.782 53.834 52.037 0.024 0.000 0.620 356 A CB -0.500 18.516 19.000 0.027 0.000 0.822 356 A HN 0.487 nan 8.150 nan 0.000 0.443 357 L N -0.175 121.055 121.223 0.011 0.000 2.072 357 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 357 L C 2.988 179.909 176.870 0.084 0.000 1.079 357 L CA 1.770 56.647 54.840 0.063 0.000 0.752 357 L CB -0.918 41.194 42.059 0.088 0.000 0.906 357 L HN 0.656 nan 8.230 nan 0.000 0.436 358 T N -4.497 110.005 114.554 -0.087 0.000 2.857 358 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 358 T C 2.039 176.818 174.700 0.130 0.000 1.048 358 T CA 1.266 63.259 62.100 -0.178 0.000 1.139 358 T CB -0.243 68.302 68.868 -0.539 0.000 0.874 358 T HN 0.110 nan 8.240 nan 0.000 0.455 359 S N 1.609 117.382 115.700 0.122 0.000 2.368 359 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 359 S C 1.875 176.538 174.600 0.105 0.000 1.029 359 S CA 1.248 59.541 58.200 0.154 0.000 0.988 359 S CB -0.552 62.714 63.200 0.110 0.000 0.838 359 S HN 0.523 nan 8.310 nan 0.000 0.462 360 D N 1.580 122.036 120.400 0.094 0.000 2.117 360 D HA 0.000 4.640 4.640 -0.000 0.000 0.197 360 D C 2.113 178.468 176.300 0.091 0.000 0.987 360 D CA 1.191 55.239 54.000 0.081 0.000 0.829 360 D CB -0.427 40.417 40.800 0.073 0.000 0.961 360 D HN 0.374 nan 8.370 nan 0.000 0.460 361 A N 0.697 123.606 122.820 0.149 0.000 1.898 361 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 361 A C 2.149 179.807 177.584 0.122 0.000 1.181 361 A CA 0.950 53.094 52.037 0.178 0.000 0.620 361 A CB -0.670 18.561 19.000 0.384 0.000 0.819 361 A HN 0.245 nan 8.150 nan 0.000 0.442 362 L N -0.204 121.086 121.223 0.111 0.000 2.056 362 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 362 L C 2.632 179.489 176.870 -0.022 0.000 1.078 362 L CA 2.086 56.937 54.840 0.018 0.000 0.749 362 L CB -0.808 41.187 42.059 -0.107 0.000 0.901 362 L HN 0.336 nan 8.230 nan 0.000 0.433 363 A N -1.501 121.320 122.820 0.002 0.000 1.908 363 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 363 A C 2.266 179.825 177.584 -0.042 0.000 1.181 363 A CA 2.368 54.397 52.037 -0.013 0.000 0.627 363 A CB -1.220 17.790 19.000 0.017 0.000 0.818 363 A HN 0.517 nan 8.150 nan 0.000 0.445 364 T N 0.173 114.713 114.554 -0.024 0.000 2.746 364 T HA 0.005 4.355 4.350 -0.000 0.000 0.267 364 T C 2.231 176.875 174.700 -0.093 0.000 1.039 364 T CA 1.536 63.610 62.100 -0.043 0.000 1.142 364 T CB -0.439 68.420 68.868 -0.016 0.000 0.866 364 T HN 0.606 nan 8.240 nan 0.000 0.444 365 A N 0.923 123.689 122.820 -0.090 0.000 1.933 365 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 365 A C 2.572 179.981 177.584 -0.290 0.000 1.175 365 A CA 1.253 53.202 52.037 -0.146 0.000 0.628 365 A CB -0.985 17.965 19.000 -0.083 0.000 0.814 365 A HN 0.355 nan 8.150 nan 0.000 0.444 366 V N -0.301 119.428 119.914 -0.308 0.000 2.343 366 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 366 V C 2.741 178.500 176.094 -0.558 0.000 1.051 366 V CA 2.462 64.429 62.300 -0.554 0.000 1.036 366 V CB -1.157 30.509 31.823 -0.261 0.000 0.654 366 V HN 0.612 nan 8.190 nan 0.000 0.451 367 T N -0.188 114.191 114.554 -0.292 0.000 2.788 367 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 367 T C 1.939 176.502 174.700 -0.229 0.000 1.044 367 T CA 1.531 63.503 62.100 -0.213 0.000 1.139 367 T CB -0.168 68.633 68.868 -0.112 0.000 0.867 367 T HN 0.278 nan 8.240 nan 0.000 0.454 368 V N 1.207 120.984 119.914 -0.228 0.000 2.295 368 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 368 V C 2.391 178.342 176.094 -0.239 0.000 1.049 368 V CA 1.347 63.533 62.300 -0.189 0.000 1.024 368 V CB -0.562 31.164 31.823 -0.160 0.000 0.648 368 V HN 0.320 nan 8.190 nan 0.000 0.447 369 L N 0.312 121.298 121.223 -0.394 0.000 2.141 369 L HA -0.030 4.310 4.340 -0.000 0.000 0.209 369 L C 2.524 179.186 176.870 -0.348 0.000 1.094 369 L CA 2.014 56.617 54.840 -0.394 0.000 0.763 369 L CB -1.159 40.556 42.059 -0.574 0.000 0.908 369 L HN 0.286 nan 8.230 nan 0.000 0.437 370 A N -0.594 121.879 122.820 -0.578 0.000 1.969 370 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 370 A C 2.422 179.983 177.584 -0.038 0.000 1.169 370 A CA 1.406 53.305 52.037 -0.231 0.000 0.635 370 A CB -1.161 17.716 19.000 -0.205 0.000 0.810 370 A HN 0.414 nan 8.150 nan 0.000 0.445 371 G N -0.041 108.707 108.800 -0.087 0.000 2.408 371 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.217 371 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.217 371 G C 1.474 176.377 174.900 0.004 0.000 1.150 371 G CA 1.156 46.238 45.100 -0.030 0.000 0.776 371 G HN 0.505 nan 8.290 nan 0.000 0.542 372 L N 1.447 122.668 121.223 -0.005 0.000 2.017 372 L HA 0.118 4.458 4.340 -0.000 0.000 0.208 372 L C 3.012 179.926 176.870 0.074 0.000 1.073 372 L CA 2.357 57.216 54.840 0.032 0.000 0.745 372 L CB -0.767 41.304 42.059 0.019 0.000 0.894 372 L HN 0.214 nan 8.230 nan 0.000 0.432 373 A N -0.923 121.967 122.820 0.116 0.000 1.933 373 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 373 A C 2.326 179.969 177.584 0.099 0.000 1.175 373 A CA 1.688 53.811 52.037 0.144 0.000 0.628 373 A CB -0.765 18.381 19.000 0.243 0.000 0.814 373 A HN 0.601 nan 8.150 nan 0.000 0.444 374 E N 0.003 120.255 120.200 0.086 0.000 2.077 374 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 374 E C 2.040 178.673 176.600 0.055 0.000 0.989 374 E CA 0.844 57.283 56.400 0.066 0.000 0.800 374 E CB -0.205 29.527 29.700 0.054 0.000 0.746 374 E HN 0.379 nan 8.360 nan 0.000 0.452 375 R N 0.331 120.862 120.500 0.051 0.000 2.148 375 R HA -0.035 4.305 4.340 -0.000 0.000 0.223 375 R C 2.350 178.680 176.300 0.050 0.000 1.088 375 R CA 0.782 56.910 56.100 0.046 0.000 0.985 375 R CB -0.349 29.976 30.300 0.041 0.000 0.880 375 R HN 0.404 nan 8.270 nan 0.000 0.451 376 Q N 0.014 119.850 119.800 0.059 0.000 2.119 376 Q HA -0.028 4.312 4.340 -0.000 0.000 0.201 376 Q C 2.169 178.194 176.000 0.041 0.000 0.972 376 Q CA 1.072 56.910 55.803 0.058 0.000 0.847 376 Q CB -0.063 28.720 28.738 0.074 0.000 0.903 376 Q HN 0.308 nan 8.270 nan 0.000 0.433 377 I N 0.646 121.240 120.570 0.040 0.000 2.252 377 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 377 I C 2.415 178.560 176.117 0.045 0.000 1.102 377 I CA 0.890 62.207 61.300 0.028 0.000 1.385 377 I CB -0.392 37.628 38.000 0.034 0.000 1.064 377 I HN 0.143 nan 8.210 nan 0.000 0.414 378 A N 0.771 123.624 122.820 0.055 0.000 1.972 378 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 378 A C 2.436 180.040 177.584 0.035 0.000 1.169 378 A CA 1.841 53.915 52.037 0.063 0.000 0.635 378 A CB -0.601 18.433 19.000 0.057 0.000 0.810 378 A HN 0.392 nan 8.150 nan 0.000 0.446 379 R N -0.991 119.523 120.500 0.023 0.000 2.062 379 R HA -0.004 4.336 4.340 -0.000 0.000 0.226 379 R C 2.004 178.297 176.300 -0.012 0.000 1.125 379 R CA 1.309 57.412 56.100 0.005 0.000 0.966 379 R CB -0.383 29.926 30.300 0.016 0.000 0.861 379 R HN 0.388 nan 8.270 nan 0.000 0.433 380 L N 1.214 122.434 121.223 -0.005 0.000 2.131 380 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 380 L C 1.918 178.764 176.870 -0.040 0.000 1.092 380 L CA 2.350 57.178 54.840 -0.020 0.000 0.759 380 L CB -0.394 41.653 42.059 -0.020 0.000 0.903 380 L HN 0.431 nan 8.230 nan 0.000 0.435 381 T N -4.345 110.190 114.554 -0.032 0.000 3.107 381 T HA 0.039 4.389 4.350 -0.000 0.000 0.249 381 T C 0.700 175.203 174.700 -0.328 0.000 1.096 381 T CA -0.150 61.909 62.100 -0.068 0.000 1.012 381 T CB -0.444 68.520 68.868 0.159 0.000 0.977 381 T HN 0.234 nan 8.240 nan 0.000 0.527 382 D N 2.660 122.931 120.400 -0.215 0.000 2.347 382 D HA 0.074 4.714 4.640 -0.000 0.000 0.235 382 D C 1.301 177.478 176.300 -0.204 0.000 1.149 382 D CA -0.334 53.516 54.000 -0.250 0.000 0.850 382 D CB 1.268 42.005 40.800 -0.105 0.000 1.061 382 D HN 0.613 nan 8.370 nan 0.000 0.487 383 E N 3.244 123.292 120.200 -0.254 0.000 2.331 383 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 383 E C 0.996 177.545 176.600 -0.084 0.000 1.008 383 E CA 0.795 57.108 56.400 -0.144 0.000 0.843 383 E CB 0.109 29.735 29.700 -0.123 0.000 0.761 383 E HN 0.361 nan 8.360 nan 0.000 0.507 384 R N -0.063 120.390 120.500 -0.079 0.000 2.276 384 R HA 0.204 4.544 4.340 -0.000 0.000 0.196 384 R C 1.622 177.898 176.300 -0.041 0.000 0.961 384 R CA 0.429 56.501 56.100 -0.047 0.000 1.024 384 R CB 0.255 30.533 30.300 -0.036 0.000 0.940 384 R HN 0.261 nan 8.270 nan 0.000 0.480 385 L N 0.150 121.343 121.223 -0.049 0.000 2.920 385 L HA 0.137 4.476 4.340 -0.000 0.000 0.257 385 L C 0.451 177.301 176.870 -0.034 0.000 1.150 385 L CA -0.117 54.701 54.840 -0.037 0.000 0.959 385 L CB 0.309 42.349 42.059 -0.032 0.000 1.321 385 L HN 0.112 nan 8.230 nan 0.000 0.555 386 N N 0.719 119.392 118.700 -0.045 0.000 2.295 386 N HA 0.003 4.743 4.740 -0.000 0.000 0.221 386 N C -0.005 175.488 175.510 -0.028 0.000 1.129 386 N CA -0.408 52.620 53.050 -0.037 0.000 0.836 386 N CB -0.080 38.377 38.487 -0.049 0.000 1.040 386 N HN 0.038 nan 8.380 nan 0.000 0.494 387 R N -0.196 120.288 120.500 -0.026 0.000 3.188 387 R HA -0.172 4.168 4.340 -0.000 0.000 0.247 387 R C 0.792 177.081 176.300 -0.019 0.000 0.918 387 R CA 0.544 56.632 56.100 -0.020 0.000 0.629 387 R CB -2.065 28.225 30.300 -0.016 0.000 1.087 387 R HN 0.641 nan 8.270 nan 0.000 0.462 388 G N -0.867 107.921 108.800 -0.021 0.000 2.195 388 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.246 388 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.246 388 G C 0.280 175.169 174.900 -0.019 0.000 0.984 388 G CA 0.109 45.199 45.100 -0.017 0.000 0.633 388 G HN 0.288 nan 8.290 nan 0.000 0.525 389 L N 1.568 122.776 121.223 -0.025 0.000 2.436 389 L HA 0.414 4.754 4.340 -0.000 0.000 0.265 389 L C -1.590 175.261 176.870 -0.031 0.000 1.168 389 L CA -2.011 52.812 54.840 -0.028 0.000 0.815 389 L CB 0.626 42.669 42.059 -0.026 0.000 1.109 389 L HN -0.086 nan 8.230 nan 0.000 0.462 390 P HA 0.038 nan 4.420 nan 0.000 0.267 390 P C -2.477 174.842 177.300 0.032 0.000 1.200 390 P CA -0.885 62.205 63.100 -0.017 0.000 0.772 390 P CB -0.182 31.393 31.700 -0.208 0.000 0.855 391 P HA 0.000 nan 4.420 nan 0.000 0.267 391 P C -0.261 177.076 177.300 0.063 0.000 1.209 391 P CA 0.331 63.361 63.100 -0.117 0.000 0.763 391 P CB -0.166 31.510 31.700 -0.040 0.000 0.816 392 F N 1.644 121.694 119.950 0.167 0.000 3.034 392 F HA -0.243 4.284 4.527 -0.000 0.000 0.286 392 F C 1.300 177.279 175.800 0.298 0.000 0.804 392 F CA 0.326 58.450 58.000 0.207 0.000 1.161 392 F CB -2.668 36.444 39.000 0.186 0.000 1.317 392 F HN 0.270 nan 8.300 nan 0.000 0.453 393 L N -1.691 119.699 121.223 0.278 0.000 3.839 393 L HA -0.316 4.024 4.340 -0.000 0.000 0.416 393 L C 1.347 178.367 176.870 0.250 0.000 1.195 393 L CA 1.040 56.020 54.840 0.233 0.000 0.946 393 L CB -2.016 40.203 42.059 0.267 0.000 1.891 393 L HN 0.705 nan 8.230 nan 0.000 0.963 394 H N 0.443 119.637 119.070 0.205 0.000 2.671 394 H HA 0.657 5.213 4.556 -0.000 0.000 0.372 394 H C 0.292 175.674 175.328 0.089 0.000 1.227 394 H CA -0.395 55.729 56.048 0.126 0.000 1.426 394 H CB 0.881 30.709 29.762 0.110 0.000 1.480 394 H HN 0.302 nan 8.280 nan 0.000 0.611 395 R N -0.311 120.207 120.500 0.031 0.000 2.888 395 R HA 0.475 4.815 4.340 -0.000 0.000 0.266 395 R C -0.358 176.052 176.300 0.183 0.000 1.020 395 R CA -0.261 55.831 56.100 -0.013 0.000 0.963 395 R CB 2.096 32.402 30.300 0.009 0.000 1.197 395 R HN 1.105 nan 8.270 nan 0.000 0.481 396 G N 1.341 110.217 108.800 0.127 0.000 2.796 396 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.571 396 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.571 396 G C -2.716 172.313 174.900 0.215 0.000 1.370 396 G CA -1.242 43.940 45.100 0.137 0.000 0.856 396 G HN 0.377 nan 8.290 nan 0.000 0.538 397 P HA 0.430 nan 4.420 nan 0.000 0.264 397 P C 0.400 177.704 177.300 0.005 0.000 1.193 397 P CA 0.876 64.029 63.100 0.089 0.000 0.763 397 P CB 0.633 32.356 31.700 0.037 0.000 0.810 398 A N 3.437 126.240 122.820 -0.029 0.000 2.462 398 A HA 0.487 4.807 4.320 -0.000 0.000 0.243 398 A C 1.557 179.028 177.584 -0.189 0.000 1.076 398 A CA 0.826 52.657 52.037 -0.343 0.000 0.773 398 A CB -0.926 17.999 19.000 -0.126 0.000 1.010 398 A HN 0.810 nan 8.150 nan 0.000 0.493 399 G N 0.743 109.415 108.800 -0.213 0.000 3.079 399 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.214 399 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.214 399 G C 1.093 175.942 174.900 -0.086 0.000 1.335 399 G CA 0.435 45.475 45.100 -0.101 0.000 0.822 399 G HN 0.828 nan 8.290 nan 0.000 0.545 400 L N 1.074 122.253 121.223 -0.073 0.000 2.191 400 L HA 0.123 4.463 4.340 -0.000 0.000 0.212 400 L C 0.868 177.705 176.870 -0.055 0.000 1.103 400 L CA 0.967 55.779 54.840 -0.047 0.000 0.769 400 L CB -0.274 41.770 42.059 -0.024 0.000 0.908 400 L HN 0.319 nan 8.230 nan 0.000 0.438 401 N N -1.437 117.209 118.700 -0.090 0.000 2.284 401 N HA 0.207 4.947 4.740 -0.000 0.000 0.300 401 N C -0.057 175.379 175.510 -0.123 0.000 1.047 401 N CA -0.121 52.888 53.050 -0.069 0.000 0.821 401 N CB 2.119 40.621 38.487 0.025 0.000 1.337 401 N HN -0.207 nan 8.380 nan 0.000 0.482 402 S N 0.117 115.784 115.700 -0.054 0.000 2.603 402 S HA 0.251 4.721 4.470 -0.000 0.000 0.232 402 S C 1.232 175.874 174.600 0.071 0.000 1.016 402 S CA 0.059 58.241 58.200 -0.031 0.000 0.976 402 S CB 0.543 63.675 63.200 -0.114 0.000 0.921 402 S HN 0.937 nan 8.310 nan 0.000 0.516 403 G N 2.423 111.259 108.800 0.060 0.000 2.629 403 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.313 403 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.313 403 G C 0.245 175.056 174.900 -0.149 0.000 1.217 403 G CA 0.735 45.839 45.100 0.007 0.000 0.994 403 G HN 0.448 nan 8.290 nan 0.000 0.549 404 F N 1.332 121.368 119.950 0.142 0.000 2.664 404 F HA 0.455 4.982 4.527 -0.000 0.000 0.301 404 F C 2.453 178.274 175.800 0.036 0.000 1.126 404 F CA 0.981 59.038 58.000 0.093 0.000 1.373 404 F CB 0.085 39.159 39.000 0.123 0.000 1.042 404 F HN 0.333 nan 8.300 nan 0.000 0.535 405 M N 0.085 119.679 119.600 -0.010 0.000 2.106 405 M HA -0.159 4.321 4.480 -0.000 0.000 0.259 405 M C 2.395 178.567 176.300 -0.214 0.000 1.068 405 M CA 2.276 57.301 55.300 -0.457 0.000 1.100 405 M CB -0.492 31.589 32.600 -0.865 0.000 1.351 405 M HN 0.302 nan 8.290 nan 0.000 0.404 406 G N -0.919 107.813 108.800 -0.114 0.000 2.394 406 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.215 406 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.215 406 G C 1.484 176.388 174.900 0.006 0.000 1.165 406 G CA 0.737 45.800 45.100 -0.062 0.000 0.784 406 G HN 0.620 nan 8.290 nan 0.000 0.535 407 A N -0.008 122.854 122.820 0.070 0.000 1.933 407 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 407 A C 2.277 179.924 177.584 0.106 0.000 1.175 407 A CA 2.050 54.158 52.037 0.118 0.000 0.628 407 A CB -0.430 18.722 19.000 0.254 0.000 0.814 407 A HN 0.382 nan 8.150 nan 0.000 0.444 408 Q N 0.095 119.970 119.800 0.126 0.000 2.084 408 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 408 Q C 2.113 178.158 176.000 0.075 0.000 0.978 408 Q CA 2.077 57.952 55.803 0.120 0.000 0.844 408 Q CB -0.323 28.534 28.738 0.198 0.000 0.898 408 Q HN 0.428 nan 8.270 nan 0.000 0.426 409 V N 0.550 120.488 119.914 0.040 0.000 2.427 409 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 409 V C 2.386 178.496 176.094 0.026 0.000 1.051 409 V CA 2.044 64.358 62.300 0.023 0.000 1.048 409 V CB -0.872 30.946 31.823 -0.009 0.000 0.666 409 V HN 0.382 nan 8.190 nan 0.000 0.456 410 T N 0.455 115.025 114.554 0.027 0.000 2.720 410 T HA -0.191 4.158 4.350 -0.000 0.000 0.268 410 T C 2.070 176.791 174.700 0.034 0.000 1.037 410 T CA 1.660 63.776 62.100 0.026 0.000 1.144 410 T CB -0.408 68.477 68.868 0.027 0.000 0.864 410 T HN 0.580 nan 8.240 nan 0.000 0.444 411 A N 1.219 124.065 122.820 0.043 0.000 1.908 411 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 411 A C 2.555 180.166 177.584 0.045 0.000 1.181 411 A CA 2.164 54.230 52.037 0.047 0.000 0.627 411 A CB -1.231 17.800 19.000 0.053 0.000 0.818 411 A HN 0.486 nan 8.150 nan 0.000 0.445 412 T N 0.244 114.824 114.554 0.043 0.000 2.746 412 T HA 0.007 4.357 4.350 -0.000 0.000 0.267 412 T C 2.205 176.922 174.700 0.029 0.000 1.039 412 T CA 1.493 63.615 62.100 0.037 0.000 1.142 412 T CB -0.423 68.467 68.868 0.037 0.000 0.866 412 T HN 0.601 nan 8.240 nan 0.000 0.444 413 A N 1.289 124.125 122.820 0.026 0.000 1.902 413 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 413 A C 2.295 179.893 177.584 0.024 0.000 1.181 413 A CA 1.119 53.169 52.037 0.021 0.000 0.623 413 A CB -0.811 18.199 19.000 0.017 0.000 0.818 413 A HN 0.473 nan 8.150 nan 0.000 0.443 414 L N -1.121 120.119 121.223 0.030 0.000 2.046 414 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 414 L C 2.563 179.454 176.870 0.035 0.000 1.077 414 L CA 1.155 56.016 54.840 0.035 0.000 0.747 414 L CB -0.556 41.529 42.059 0.044 0.000 0.896 414 L HN 0.466 nan 8.230 nan 0.000 0.432 415 L N 0.297 121.540 121.223 0.035 0.000 2.027 415 L HA -0.121 4.219 4.340 -0.000 0.000 0.206 415 L C 2.670 179.548 176.870 0.014 0.000 1.074 415 L CA 1.990 56.844 54.840 0.024 0.000 0.745 415 L CB -0.742 41.331 42.059 0.024 0.000 0.898 415 L HN 0.133 nan 8.230 nan 0.000 0.433 416 A N -0.786 122.043 122.820 0.016 0.000 1.908 416 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 416 A C 2.340 179.931 177.584 0.011 0.000 1.181 416 A CA 2.010 54.054 52.037 0.012 0.000 0.627 416 A CB -0.801 18.207 19.000 0.013 0.000 0.818 416 A HN 0.647 nan 8.150 nan 0.000 0.445 417 E N -0.709 119.500 120.200 0.015 0.000 2.077 417 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 417 E C 2.059 178.667 176.600 0.015 0.000 0.989 417 E CA 1.320 57.729 56.400 0.015 0.000 0.800 417 E CB -0.205 29.506 29.700 0.018 0.000 0.746 417 E HN 0.678 nan 8.360 nan 0.000 0.452 418 M N 0.006 119.615 119.600 0.016 0.000 2.108 418 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 418 M C 2.349 178.651 176.300 0.004 0.000 1.066 418 M CA 1.592 56.900 55.300 0.012 0.000 1.107 418 M CB -0.213 32.390 32.600 0.006 0.000 1.356 418 M HN 0.016 nan 8.290 nan 0.000 0.406 419 R N 0.067 120.567 120.500 0.000 0.000 2.193 419 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 419 R C 2.215 178.519 176.300 0.006 0.000 1.110 419 R CA 1.137 57.236 56.100 -0.002 0.000 0.988 419 R CB -0.457 29.841 30.300 -0.003 0.000 0.871 419 R HN 0.388 nan 8.270 nan 0.000 0.458 420 A N 0.480 123.306 122.820 0.009 0.000 2.067 420 A HA -0.036 4.283 4.320 -0.000 0.000 0.219 420 A C 0.838 178.431 177.584 0.015 0.000 1.158 420 A CA 0.960 53.004 52.037 0.011 0.000 0.661 420 A CB 0.077 19.083 19.000 0.010 0.000 0.801 420 A HN 0.114 nan 8.150 nan 0.000 0.452 421 T N 0.091 114.655 114.554 0.017 0.000 2.767 421 T HA 0.550 4.900 4.350 -0.000 0.000 0.284 421 T C 0.460 175.180 174.700 0.034 0.000 0.973 421 T CA 0.050 62.165 62.100 0.025 0.000 0.996 421 T CB 1.532 70.413 68.868 0.022 0.000 0.927 421 T HN 0.376 nan 8.240 nan 0.000 0.456 422 G N 2.976 111.809 108.800 0.055 0.000 2.828 422 G HA2 0.670 4.630 3.960 -0.000 0.000 0.244 422 G HA3 0.670 4.630 3.960 -0.000 0.000 0.244 422 G C -2.630 172.319 174.900 0.081 0.000 1.365 422 G CA -1.574 43.562 45.100 0.062 0.000 1.041 422 G HN 0.443 nan 8.290 nan 0.000 0.560 423 P HA 0.256 nan 4.420 nan 0.000 0.266 423 P C 0.315 177.690 177.300 0.124 0.000 1.195 423 P CA 0.396 63.537 63.100 0.068 0.000 0.768 423 P CB 1.303 33.019 31.700 0.026 0.000 0.838 424 A N 2.031 124.922 122.820 0.120 0.000 1.997 424 A HA -0.038 4.282 4.320 -0.000 0.000 0.212 424 A C 2.036 179.704 177.584 0.140 0.000 1.178 424 A CA 0.995 53.141 52.037 0.182 0.000 0.698 424 A CB -0.979 18.091 19.000 0.116 0.000 0.842 424 A HN 0.477 nan 8.150 nan 0.000 0.458 425 S N 0.691 116.425 115.700 0.056 0.000 2.419 425 S HA -0.180 4.290 4.470 -0.000 0.000 0.235 425 S C 1.677 176.250 174.600 -0.045 0.000 1.019 425 S CA 1.554 59.764 58.200 0.017 0.000 0.982 425 S CB -0.700 62.507 63.200 0.012 0.000 0.789 425 S HN 0.799 nan 8.310 nan 0.000 0.490 426 I N -1.241 119.232 120.570 -0.162 0.000 3.444 426 I HA 0.050 4.220 4.170 -0.000 0.000 0.287 426 I C 0.750 176.643 176.117 -0.373 0.000 1.302 426 I CA 0.984 62.117 61.300 -0.278 0.000 1.368 426 I CB -0.370 37.414 38.000 -0.360 0.000 1.048 426 I HN 0.166 nan 8.210 nan 0.000 0.487 427 H N 1.154 120.235 119.070 0.018 0.000 2.524 427 H HA 0.312 4.868 4.556 -0.000 0.000 0.299 427 H C 0.651 175.990 175.328 0.019 0.000 1.074 427 H CA -0.222 55.836 56.048 0.017 0.000 1.115 427 H CB 0.118 29.890 29.762 0.017 0.000 1.522 427 H HN 0.313 nan 8.280 nan 0.000 0.543 428 S N 1.254 116.998 115.700 0.072 0.000 2.552 428 S HA 0.183 4.653 4.470 -0.000 0.000 0.289 428 S C 0.276 174.913 174.600 0.061 0.000 1.304 428 S CA -0.187 58.050 58.200 0.062 0.000 1.063 428 S CB 0.001 63.223 63.200 0.037 0.000 0.848 428 S HN 0.298 nan 8.310 nan 0.000 0.499 429 I N 3.366 123.971 120.570 0.058 0.000 2.533 429 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 429 I C 0.062 176.204 176.117 0.042 0.000 1.056 429 I CA -0.647 60.683 61.300 0.049 0.000 1.057 429 I CB 2.112 40.142 38.000 0.050 0.000 1.240 429 I HN 0.576 nan 8.210 nan 0.000 0.423 430 S N 3.980 119.701 115.700 0.036 0.000 2.544 430 S HA 0.213 4.683 4.470 -0.000 0.000 0.290 430 S C -0.174 174.446 174.600 0.033 0.000 1.276 430 S CA 0.472 58.692 58.200 0.034 0.000 1.075 430 S CB 0.180 63.398 63.200 0.029 0.000 0.849 430 S HN 0.771 nan 8.310 nan 0.000 0.494 431 T N 3.194 117.769 114.554 0.035 0.000 2.654 431 T HA 0.417 4.767 4.350 -0.000 0.000 0.289 431 T C -0.329 174.391 174.700 0.033 0.000 1.062 431 T CA -0.137 61.983 62.100 0.032 0.000 1.041 431 T CB 0.815 69.703 68.868 0.034 0.000 1.417 431 T HN 0.901 nan 8.240 nan 0.000 0.510 432 N N 0.615 119.334 118.700 0.032 0.000 2.727 432 N HA -0.228 4.512 4.740 -0.000 0.000 0.251 432 N C 0.311 175.839 175.510 0.032 0.000 1.040 432 N CA 0.792 53.862 53.050 0.033 0.000 0.712 432 N CB -1.179 37.331 38.487 0.038 0.000 0.912 432 N HN 1.543 nan 8.380 nan 0.000 0.545 433 A N -0.525 122.311 122.820 0.026 0.000 2.783 433 A HA 0.003 4.323 4.320 -0.000 0.000 0.292 433 A C 1.328 178.927 177.584 0.026 0.000 1.495 433 A CA 2.087 54.138 52.037 0.023 0.000 0.787 433 A CB -2.275 16.738 19.000 0.022 0.000 1.017 433 A HN 2.278 nan 8.150 nan 0.000 0.516 434 A N -2.470 120.366 122.820 0.028 0.000 3.396 434 A HA -0.354 3.966 4.320 -0.000 0.000 0.267 434 A C 1.373 178.977 177.584 0.033 0.000 1.139 434 A CA 1.998 54.052 52.037 0.028 0.000 1.115 434 A CB -2.539 16.476 19.000 0.024 0.000 1.133 434 A HN 2.227 nan 8.150 nan 0.000 0.920 435 N N 0.018 118.740 118.700 0.037 0.000 2.171 435 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 435 N C 0.987 176.526 175.510 0.049 0.000 1.021 435 N CA 1.838 54.913 53.050 0.043 0.000 0.854 435 N CB -0.159 38.356 38.487 0.048 0.000 0.994 435 N HN 0.748 nan 8.380 nan 0.000 0.426 436 Q N 0.573 120.402 119.800 0.047 0.000 3.091 436 Q HA 0.064 4.404 4.340 -0.000 0.000 0.301 436 Q C -0.404 175.626 176.000 0.051 0.000 1.337 436 Q CA -0.278 55.559 55.803 0.056 0.000 1.083 436 Q CB 0.537 29.303 28.738 0.047 0.000 1.477 436 Q HN 0.512 nan 8.270 nan 0.000 0.537 437 D N -0.458 119.971 120.400 0.047 0.000 2.348 437 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 437 D C 0.662 176.986 176.300 0.039 0.000 0.970 437 D CA 0.416 54.439 54.000 0.039 0.000 0.889 437 D CB 0.092 40.911 40.800 0.032 0.000 0.912 437 D HN 0.207 nan 8.370 nan 0.000 0.524 438 V N -1.883 118.060 119.914 0.047 0.000 2.760 438 V HA 0.764 4.884 4.120 -0.000 0.000 0.309 438 V C -0.426 175.705 176.094 0.061 0.000 1.077 438 V CA -1.180 61.147 62.300 0.045 0.000 0.910 438 V CB 1.927 33.771 31.823 0.036 0.000 1.008 438 V HN 0.107 nan 8.190 nan 0.000 0.424 439 V N 0.778 120.727 119.914 0.058 0.000 3.007 439 V HA 0.773 4.893 4.120 -0.000 0.000 0.311 439 V C 1.016 177.147 176.094 0.061 0.000 1.120 439 V CA 0.256 62.598 62.300 0.070 0.000 0.980 439 V CB 1.399 33.261 31.823 0.065 0.000 1.033 439 V HN 1.339 nan 8.190 nan 0.000 0.429 440 S N 2.306 118.047 115.700 0.069 0.000 2.425 440 S HA 0.100 4.570 4.470 -0.000 0.000 0.225 440 S C 1.156 175.788 174.600 0.054 0.000 1.024 440 S CA 1.106 59.339 58.200 0.055 0.000 0.951 440 S CB -0.841 62.395 63.200 0.059 0.000 0.796 440 S HN 1.395 nan 8.310 nan 0.000 0.498 441 L N 0.393 121.652 121.223 0.060 0.000 4.040 441 L HA -0.202 4.138 4.340 -0.000 0.000 0.410 441 L C 1.516 178.420 176.870 0.055 0.000 1.187 441 L CA 0.030 54.906 54.840 0.060 0.000 0.956 441 L CB -2.251 39.852 42.059 0.075 0.000 2.022 441 L HN 0.538 nan 8.230 nan 0.000 0.897 442 G N -0.439 108.392 108.800 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 1.276 176.203 174.900 0.044 0.000 1.135 442 G CA 1.384 46.511 45.100 0.045 0.000 0.767 442 G HN 0.471 nan 8.290 nan 0.000 0.550 443 T N 1.305 115.884 114.554 0.042 0.000 2.777 443 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 443 T C 2.375 177.098 174.700 0.039 0.000 1.040 443 T CA 0.914 63.036 62.100 0.036 0.000 1.141 443 T CB -0.111 68.774 68.868 0.029 0.000 0.868 443 T HN 0.275 nan 8.240 nan 0.000 0.444 444 I N 1.605 122.200 120.570 0.041 0.000 2.226 444 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 444 I C 3.015 179.162 176.117 0.050 0.000 1.100 444 I CA 1.034 62.359 61.300 0.042 0.000 1.374 444 I CB -0.553 37.473 38.000 0.045 0.000 1.057 444 I HN 0.203 nan 8.210 nan 0.000 0.413 445 A N 0.904 123.758 122.820 0.057 0.000 1.883 445 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 445 A C 2.548 180.170 177.584 0.063 0.000 1.186 445 A CA 2.139 54.213 52.037 0.062 0.000 0.624 445 A CB -0.935 18.102 19.000 0.061 0.000 0.822 445 A HN 0.440 nan 8.150 nan 0.000 0.444 446 A N -0.517 122.340 122.820 0.063 0.000 1.933 446 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 446 A C 2.249 179.871 177.584 0.064 0.000 1.175 446 A CA 1.520 53.600 52.037 0.073 0.000 0.628 446 A CB -0.435 18.607 19.000 0.070 0.000 0.814 446 A HN 0.558 nan 8.150 nan 0.000 0.444 447 R N -0.506 120.025 120.500 0.052 0.000 2.075 447 R HA 0.006 4.346 4.340 -0.000 0.000 0.232 447 R C 2.003 178.331 176.300 0.047 0.000 1.126 447 R CA 1.358 57.485 56.100 0.047 0.000 0.963 447 R CB -0.463 29.859 30.300 0.035 0.000 0.858 447 R HN 0.504 nan 8.270 nan 0.000 0.435 448 L N -0.253 120.998 121.223 0.046 0.000 2.093 448 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 448 L C 2.743 179.641 176.870 0.047 0.000 1.085 448 L CA 0.756 55.622 54.840 0.044 0.000 0.755 448 L CB -0.537 41.549 42.059 0.045 0.000 0.904 448 L HN 0.377 nan 8.230 nan 0.000 0.435 449 C N 0.342 119.673 119.300 0.051 0.000 2.440 449 C HA -0.141 4.319 4.460 -0.000 0.000 0.278 449 C C 3.098 178.125 174.990 0.062 0.000 1.295 449 C CA 0.789 59.836 59.018 0.049 0.000 1.738 449 C CB -0.552 27.216 27.740 0.048 0.000 1.987 449 C HN 0.492 nan 8.230 nan 0.000 0.492 450 R N 1.343 121.883 120.500 0.067 0.000 2.073 450 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 450 R C 2.108 178.455 176.300 0.077 0.000 1.134 450 R CA 2.036 58.182 56.100 0.077 0.000 0.952 450 R CB -0.838 29.505 30.300 0.072 0.000 0.850 450 R HN 0.521 nan 8.270 nan 0.000 0.433 451 E N 0.781 121.020 120.200 0.063 0.000 2.085 451 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 451 E C 1.864 178.507 176.600 0.071 0.000 0.994 451 E CA 1.422 57.858 56.400 0.059 0.000 0.801 451 E CB -0.126 29.601 29.700 0.045 0.000 0.743 451 E HN 0.437 nan 8.360 nan 0.000 0.453 452 K N 0.278 120.719 120.400 0.069 0.000 2.097 452 K HA -0.009 4.311 4.320 -0.000 0.000 0.205 452 K C 2.292 178.978 176.600 0.143 0.000 1.050 452 K CA 0.692 57.024 56.287 0.075 0.000 0.938 452 K CB -0.091 32.431 32.500 0.036 0.000 0.718 452 K HN 0.089 nan 8.250 nan 0.000 0.442 453 I N 1.429 122.096 120.570 0.162 0.000 2.286 453 I HA -0.275 3.894 4.170 -0.000 0.000 0.248 453 I C 1.510 177.749 176.117 0.204 0.000 1.115 453 I CA 1.156 62.609 61.300 0.255 0.000 1.392 453 I CB -0.216 37.901 38.000 0.195 0.000 1.065 453 I HN 0.143 nan 8.210 nan 0.000 0.418 454 D N 0.552 121.030 120.400 0.129 0.000 2.144 454 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 454 D C 2.331 178.685 176.300 0.091 0.000 0.978 454 D CA 0.887 54.939 54.000 0.087 0.000 0.833 454 D CB -0.193 40.646 40.800 0.066 0.000 0.961 454 D HN 0.176 nan 8.370 nan 0.000 0.470 455 R N -0.079 120.490 120.500 0.115 0.000 2.092 455 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 455 R C 2.133 178.541 176.300 0.180 0.000 1.119 455 R CA 0.451 56.618 56.100 0.112 0.000 0.970 455 R CB -1.033 29.323 30.300 0.094 0.000 0.864 455 R HN 0.339 nan 8.270 nan 0.000 0.440 456 W N 1.977 123.277 121.300 0.000 0.000 2.338 456 W HA -0.113 4.547 4.660 -0.000 0.000 0.304 456 W C 2.134 178.644 176.519 -0.015 0.000 1.212 456 W CA 1.471 58.816 57.345 0.001 0.000 1.264 456 W CB -0.663 28.804 29.460 0.012 0.000 1.142 456 W HN 0.144 nan 8.180 nan 0.000 0.512 457 A N 0.159 122.984 122.820 0.008 0.000 1.940 457 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 457 A C 1.870 179.372 177.584 -0.136 0.000 1.176 457 A CA 2.025 53.954 52.037 -0.179 0.000 0.631 457 A CB -0.794 18.126 19.000 -0.134 0.000 0.814 457 A HN 0.470 nan 8.150 nan 0.000 0.446 458 E N -0.402 119.773 120.200 -0.041 0.000 2.106 458 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 458 E C 1.845 178.429 176.600 -0.027 0.000 0.984 458 E CA 1.140 57.517 56.400 -0.038 0.000 0.806 458 E CB -0.246 29.455 29.700 0.002 0.000 0.750 458 E HN 0.707 nan 8.360 nan 0.000 0.458 459 I N 0.808 121.397 120.570 0.032 0.000 2.252 459 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 459 I C 2.221 178.348 176.117 0.016 0.000 1.102 459 I CA 0.939 62.274 61.300 0.059 0.000 1.385 459 I CB -0.134 37.956 38.000 0.150 0.000 1.064 459 I HN 0.104 nan 8.210 nan 0.000 0.414 460 L N 0.441 121.646 121.223 -0.031 0.000 2.131 460 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 460 L C 2.798 179.560 176.870 -0.180 0.000 1.092 460 L CA 1.188 55.965 54.840 -0.106 0.000 0.759 460 L CB -0.626 41.277 42.059 -0.260 0.000 0.903 460 L HN 0.240 nan 8.230 nan 0.000 0.435 461 A N 0.206 122.893 122.820 -0.223 0.000 1.930 461 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 461 A C 2.202 179.665 177.584 -0.202 0.000 1.175 461 A CA 1.359 53.229 52.037 -0.278 0.000 0.627 461 A CB -0.562 18.279 19.000 -0.264 0.000 0.815 461 A HN 0.344 nan 8.150 nan 0.000 0.443 462 I N -0.831 119.668 120.570 -0.119 0.000 2.226 462 I HA -0.216 3.953 4.170 -0.000 0.000 0.245 462 I C 2.407 178.449 176.117 -0.125 0.000 1.100 462 I CA 1.120 62.372 61.300 -0.080 0.000 1.374 462 I CB -0.256 37.734 38.000 -0.016 0.000 1.057 462 I HN 0.385 nan 8.210 nan 0.000 0.413 463 L N 1.232 122.401 121.223 -0.091 0.000 2.083 463 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 463 L C 2.526 179.335 176.870 -0.101 0.000 1.083 463 L CA 2.104 56.896 54.840 -0.080 0.000 0.752 463 L CB -0.817 41.237 42.059 -0.008 0.000 0.899 463 L HN 0.186 nan 8.230 nan 0.000 0.433 464 A N -0.523 122.235 122.820 -0.103 0.000 1.877 464 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 464 A C 2.259 179.773 177.584 -0.117 0.000 1.186 464 A CA 1.934 53.926 52.037 -0.075 0.000 0.620 464 A CB -0.875 18.045 19.000 -0.134 0.000 0.822 464 A HN 0.496 nan 8.150 nan 0.000 0.443 465 L N -0.890 120.223 121.223 -0.183 0.000 2.083 465 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 465 L C 2.722 179.397 176.870 -0.324 0.000 1.083 465 L CA 1.190 55.940 54.840 -0.150 0.000 0.752 465 L CB -0.722 41.308 42.059 -0.047 0.000 0.899 465 L HN 0.488 nan 8.230 nan 0.000 0.433 466 C N -0.205 118.758 119.300 -0.561 0.000 2.429 466 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 466 C C 2.757 177.545 174.990 -0.336 0.000 1.262 466 C CA 0.491 59.039 59.018 -0.784 0.000 1.733 466 C CB -0.705 26.695 27.740 -0.567 0.000 2.010 466 C HN 0.428 nan 8.230 nan 0.000 0.483 467 L N 0.817 121.936 121.223 -0.174 0.000 2.093 467 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 467 L C 2.857 179.714 176.870 -0.022 0.000 1.085 467 L CA 1.390 56.193 54.840 -0.063 0.000 0.755 467 L CB -0.694 41.362 42.059 -0.006 0.000 0.904 467 L HN 0.331 nan 8.230 nan 0.000 0.435 468 A N -0.224 122.590 122.820 -0.011 0.000 1.883 468 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 468 A C 2.211 179.824 177.584 0.049 0.000 1.186 468 A CA 2.062 54.123 52.037 0.040 0.000 0.624 468 A CB -0.574 18.466 19.000 0.068 0.000 0.822 468 A HN 0.421 nan 8.150 nan 0.000 0.444 469 Q N -0.386 119.445 119.800 0.051 0.000 2.084 469 Q HA -0.041 4.299 4.340 -0.000 0.000 0.202 469 Q C 2.063 178.097 176.000 0.057 0.000 0.978 469 Q CA 2.148 58.015 55.803 0.107 0.000 0.844 469 Q CB -0.502 28.389 28.738 0.256 0.000 0.898 469 Q HN 0.565 nan 8.270 nan 0.000 0.426 470 A N 0.303 123.128 122.820 0.007 0.000 1.902 470 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 470 A C 2.293 179.885 177.584 0.013 0.000 1.181 470 A CA 1.715 53.754 52.037 0.003 0.000 0.623 470 A CB -1.174 17.813 19.000 -0.022 0.000 0.818 470 A HN 0.544 nan 8.150 nan 0.000 0.443 471 A N 0.025 122.856 122.820 0.019 0.000 1.902 471 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 471 A C 1.909 179.509 177.584 0.027 0.000 1.181 471 A CA 1.679 53.732 52.037 0.025 0.000 0.623 471 A CB -0.551 18.469 19.000 0.033 0.000 0.818 471 A HN 0.649 nan 8.150 nan 0.000 0.443 472 E N -0.261 119.959 120.200 0.034 0.000 2.106 472 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 472 E C 1.906 178.521 176.600 0.024 0.000 0.984 472 E CA 0.961 57.380 56.400 0.033 0.000 0.806 472 E CB -0.258 29.469 29.700 0.044 0.000 0.750 472 E HN 0.620 nan 8.360 nan 0.000 0.458 473 L N 0.379 121.615 121.223 0.021 0.000 2.109 473 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 473 L C 2.625 179.496 176.870 0.002 0.000 1.086 473 L CA 0.835 55.679 54.840 0.007 0.000 0.760 473 L CB -0.118 41.941 42.059 -0.000 0.000 0.910 473 L HN 0.006 nan 8.230 nan 0.000 0.437 474 R N -0.310 120.194 120.500 0.006 0.000 2.075 474 R HA -0.039 4.301 4.340 -0.000 0.000 0.226 474 R C 1.779 178.083 176.300 0.008 0.000 1.114 474 R CA 1.606 57.709 56.100 0.005 0.000 0.972 474 R CB -0.382 29.921 30.300 0.006 0.000 0.869 474 R HN 0.342 nan 8.270 nan 0.000 0.437 475 C N 0.011 119.318 119.300 0.012 0.000 3.183 475 C HA 0.662 5.122 4.460 -0.000 0.000 0.285 475 C C 0.649 175.647 174.990 0.015 0.000 1.313 475 C CA -0.302 58.725 59.018 0.014 0.000 1.711 475 C CB -0.693 27.057 27.740 0.017 0.000 2.135 475 C HN 0.736 nan 8.230 nan 0.000 0.651 476 G N 1.687 110.496 108.800 0.015 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 0.721 175.633 174.900 0.020 0.000 1.350 476 G CA 0.091 45.200 45.100 0.015 0.000 0.837 476 G HN 0.747 nan 8.290 nan 0.000 0.564 477 S N -0.772 114.940 115.700 0.021 0.000 2.400 477 S HA 0.039 4.509 4.470 -0.000 0.000 0.232 477 S C 2.439 177.053 174.600 0.024 0.000 1.025 477 S CA 1.962 60.176 58.200 0.024 0.000 0.993 477 S CB -0.303 62.911 63.200 0.023 0.000 0.808 477 S HN 2.198 nan 8.310 nan 0.000 0.478 478 G N 0.903 109.715 108.800 0.020 0.000 2.744 478 G HA2 0.320 4.280 3.960 -0.000 0.000 0.211 478 G HA3 0.320 4.280 3.960 -0.000 0.000 0.211 478 G C 0.559 175.471 174.900 0.020 0.000 1.143 478 G CA 0.017 45.128 45.100 0.019 0.000 0.788 478 G HN 0.620 nan 8.290 nan 0.000 0.534 479 L N 0.749 121.985 121.223 0.022 0.000 3.660 479 L HA -0.163 4.177 4.340 -0.000 0.000 0.440 479 L C 0.148 177.030 176.870 0.020 0.000 1.262 479 L CA 0.146 54.999 54.840 0.023 0.000 0.837 479 L CB -1.718 40.357 42.059 0.027 0.000 1.689 479 L HN 0.362 nan 8.230 nan 0.000 0.890 480 D N 1.090 121.500 120.400 0.017 0.000 2.450 480 D HA 0.234 4.874 4.640 -0.000 0.000 0.247 480 D C 1.361 177.670 176.300 0.016 0.000 1.162 480 D CA 1.503 55.512 54.000 0.015 0.000 0.879 480 D CB 1.036 41.844 40.800 0.013 0.000 1.163 480 D HN 0.531 nan 8.370 nan 0.000 0.472 481 G N 2.669 111.479 108.800 0.015 0.000 2.225 481 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 481 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 481 G C 0.462 175.373 174.900 0.019 0.000 0.988 481 G CA 0.265 45.375 45.100 0.016 0.000 0.625 481 G HN 0.588 nan 8.290 nan 0.000 0.527 482 V N 2.553 122.480 119.914 0.021 0.000 2.715 482 V HA 0.495 4.615 4.120 -0.000 0.000 0.299 482 V C 1.493 177.602 176.094 0.025 0.000 1.054 482 V CA 0.153 62.469 62.300 0.026 0.000 1.077 482 V CB 1.386 33.226 31.823 0.028 0.000 0.972 482 V HN 1.071 nan 8.190 nan 0.000 0.484 483 S N 4.955 120.673 115.700 0.029 0.000 2.569 483 S HA 0.120 4.590 4.470 -0.000 0.000 0.274 483 S C -1.722 172.891 174.600 0.021 0.000 1.353 483 S CA -0.591 57.624 58.200 0.026 0.000 1.023 483 S CB 0.456 63.676 63.200 0.034 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 1.602 178.906 177.300 0.007 0.000 1.150 484 P CA 1.853 64.960 63.100 0.011 0.000 0.832 484 P CB -0.230 31.475 31.700 0.007 0.000 0.787 485 A N -0.203 122.619 122.820 0.003 0.000 1.898 485 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 485 A C 2.485 180.067 177.584 -0.003 0.000 1.181 485 A CA 2.024 54.055 52.037 -0.010 0.000 0.620 485 A CB -1.880 17.110 19.000 -0.018 0.000 0.819 485 A HN 0.262 nan 8.150 nan 0.000 0.442 486 G N -0.256 108.552 108.800 0.014 0.000 2.421 486 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 486 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 486 G C 1.683 176.602 174.900 0.030 0.000 1.171 486 G CA 1.143 46.259 45.100 0.026 0.000 0.775 486 G HN 0.569 nan 8.290 nan 0.000 0.543 487 K N 0.205 120.621 120.400 0.027 0.000 2.032 487 K HA -0.078 4.241 4.320 -0.000 0.000 0.209 487 K C 2.457 179.076 176.600 0.031 0.000 1.048 487 K CA 1.372 57.676 56.287 0.029 0.000 0.927 487 K CB -0.155 32.359 32.500 0.023 0.000 0.712 487 K HN 0.251 nan 8.250 nan 0.000 0.441 488 K N 1.361 121.774 120.400 0.022 0.000 2.063 488 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 488 K C 2.171 178.793 176.600 0.037 0.000 1.048 488 K CA 1.047 57.347 56.287 0.022 0.000 0.928 488 K CB -0.110 32.394 32.500 0.006 0.000 0.713 488 K HN 0.106 nan 8.250 nan 0.000 0.442 489 L N 0.603 121.846 121.223 0.033 0.000 2.017 489 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 489 L C 2.048 178.986 176.870 0.113 0.000 1.073 489 L CA 1.168 56.047 54.840 0.066 0.000 0.745 489 L CB -0.150 41.931 42.059 0.037 0.000 0.894 489 L HN 0.024 nan 8.230 nan 0.000 0.432 490 V N -0.005 119.962 119.914 0.088 0.000 2.343 490 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 490 V C 2.476 178.624 176.094 0.089 0.000 1.051 490 V CA 2.022 64.377 62.300 0.093 0.000 1.036 490 V CB -0.711 31.154 31.823 0.071 0.000 0.654 490 V HN 0.557 nan 8.190 nan 0.000 0.451 491 Q N 0.166 120.007 119.800 0.069 0.000 2.084 491 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 491 Q C 2.449 178.488 176.000 0.066 0.000 0.978 491 Q CA 1.817 57.655 55.803 0.058 0.000 0.844 491 Q CB -0.477 28.287 28.738 0.042 0.000 0.898 491 Q HN 0.662 nan 8.270 nan 0.000 0.426 492 A N 1.052 123.919 122.820 0.078 0.000 1.902 492 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 492 A C 2.107 179.756 177.584 0.108 0.000 1.181 492 A CA 1.110 53.198 52.037 0.084 0.000 0.623 492 A CB -0.687 18.377 19.000 0.108 0.000 0.818 492 A HN 0.279 nan 8.150 nan 0.000 0.443 493 L N -1.089 120.230 121.223 0.160 0.000 2.046 493 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 493 L C 2.659 179.667 176.870 0.230 0.000 1.077 493 L CA 1.018 56.000 54.840 0.237 0.000 0.747 493 L CB -0.431 41.754 42.059 0.209 0.000 0.896 493 L HN 0.267 nan 8.230 nan 0.000 0.432 494 R N 0.328 120.914 120.500 0.143 0.000 2.293 494 R HA -0.126 4.214 4.340 -0.000 0.000 0.219 494 R C 1.832 178.154 176.300 0.037 0.000 1.091 494 R CA 0.704 56.865 56.100 0.103 0.000 1.004 494 R CB -0.366 29.981 30.300 0.079 0.000 0.865 494 R HN 0.545 nan 8.270 nan 0.000 0.469 495 E N -0.001 120.208 120.200 0.015 0.000 2.204 495 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 495 E C 1.374 177.900 176.600 -0.123 0.000 0.989 495 E CA 0.773 57.150 56.400 -0.038 0.000 0.824 495 E CB 0.281 29.963 29.700 -0.031 0.000 0.756 495 E HN 0.218 nan 8.360 nan 0.000 0.477 496 Q N -1.244 118.427 119.800 -0.215 0.000 2.288 496 Q HA 0.143 4.483 4.340 -0.000 0.000 0.256 496 Q C -0.424 175.093 176.000 -0.805 0.000 0.835 496 Q CA 0.278 55.756 55.803 -0.541 0.000 0.958 496 Q CB 0.926 29.199 28.738 -0.774 0.000 1.125 496 Q HN 0.104 nan 8.270 nan 0.000 0.513 497 F N 2.057 122.000 119.950 -0.011 0.000 2.434 497 F HA 0.434 4.960 4.527 -0.000 0.000 0.355 497 F C -2.146 173.668 175.800 0.024 0.000 1.115 497 F CA -2.590 55.414 58.000 0.007 0.000 1.010 497 F CB 1.386 40.394 39.000 0.013 0.000 1.234 497 F HN -0.199 nan 8.300 nan 0.000 0.439 498 P HA 0.187 nan 4.420 nan 0.000 0.272 498 P C -2.470 174.902 177.300 0.121 0.000 1.230 498 P CA -0.998 62.157 63.100 0.092 0.000 0.788 498 P CB 0.146 31.874 31.700 0.047 0.000 0.949 499 P HA 0.084 nan 4.420 nan 0.000 0.270 499 P C -0.709 176.639 177.300 0.081 0.000 1.223 499 P CA -0.079 63.083 63.100 0.104 0.000 0.785 499 P CB 0.279 32.025 31.700 0.076 0.000 0.923 500 L N 2.067 123.339 121.223 0.082 0.000 2.352 500 L HA 0.158 4.498 4.340 -0.000 0.000 0.272 500 L C 0.972 177.845 176.870 0.006 0.000 1.109 500 L CA 0.557 55.393 54.840 -0.006 0.000 0.952 500 L CB -0.664 41.303 42.059 -0.153 0.000 1.314 500 L HN 0.317 nan 8.230 nan 0.000 0.427 501 E N 1.007 121.214 120.200 0.012 0.000 2.216 501 E HA 0.014 4.364 4.350 -0.000 0.000 0.192 501 E C 0.227 176.838 176.600 0.017 0.000 0.988 501 E CA 0.543 56.955 56.400 0.019 0.000 0.834 501 E CB 0.357 30.069 29.700 0.019 0.000 0.772 501 E HN 0.574 nan 8.360 nan 0.000 0.479 502 T N 0.144 114.697 114.554 -0.001 0.000 2.889 502 T HA 0.106 4.456 4.350 -0.000 0.000 0.315 502 T C -1.799 172.879 174.700 -0.037 0.000 1.291 502 T CA -0.991 61.108 62.100 -0.002 0.000 1.028 502 T CB 1.365 70.234 68.868 0.002 0.000 1.235 502 T HN -0.224 nan 8.240 nan 0.000 0.491 503 D N 2.744 123.118 120.400 -0.043 0.000 2.525 503 D HA 0.320 4.960 4.640 -0.000 0.000 0.235 503 D C 0.608 176.867 176.300 -0.068 0.000 1.137 503 D CA 0.751 54.705 54.000 -0.078 0.000 0.868 503 D CB 0.346 41.107 40.800 -0.065 0.000 1.180 503 D HN 0.690 nan 8.370 nan 0.000 0.465 504 R N 0.407 120.855 120.500 -0.087 0.000 2.716 504 R HA 0.628 4.968 4.340 -0.000 0.000 0.271 504 R C -3.130 173.135 176.300 -0.058 0.000 1.028 504 R CA -1.660 54.405 56.100 -0.058 0.000 0.883 504 R CB 0.277 30.552 30.300 -0.042 0.000 1.250 504 R HN 0.012 nan 8.270 nan 0.000 0.465 505 P HA 0.151 nan 4.420 nan 0.000 0.268 505 P C -0.361 176.933 177.300 -0.010 0.000 1.204 505 P CA -0.274 62.813 63.100 -0.022 0.000 0.768 505 P CB 0.604 32.298 31.700 -0.011 0.000 0.842 506 L N 1.508 122.727 121.223 -0.006 0.000 2.817 506 L HA 0.193 4.533 4.340 -0.000 0.000 0.248 506 L C 2.268 179.157 176.870 0.031 0.000 1.133 506 L CA 0.343 55.195 54.840 0.020 0.000 0.935 506 L CB -0.239 41.833 42.059 0.021 0.000 1.266 506 L HN 0.529 nan 8.230 nan 0.000 0.535 507 G N 0.165 108.977 108.800 0.021 0.000 2.476 507 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 507 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 507 G C 1.395 176.312 174.900 0.028 0.000 1.164 507 G CA 0.786 45.898 45.100 0.020 0.000 0.768 507 G HN 0.354 nan 8.290 nan 0.000 0.560 508 Q N -0.159 119.663 119.800 0.037 0.000 2.084 508 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 508 Q C 2.571 178.624 176.000 0.089 0.000 0.978 508 Q CA 1.364 57.197 55.803 0.051 0.000 0.844 508 Q CB -0.101 28.664 28.738 0.045 0.000 0.898 508 Q HN 0.625 nan 8.270 nan 0.000 0.426 509 E N 0.392 120.664 120.200 0.121 0.000 2.106 509 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 509 E C 1.933 178.554 176.600 0.035 0.000 0.984 509 E CA 0.840 57.374 56.400 0.224 0.000 0.806 509 E CB -0.036 29.821 29.700 0.262 0.000 0.750 509 E HN 0.354 nan 8.360 nan 0.000 0.458 510 I N 1.066 121.626 120.570 -0.016 0.000 2.179 510 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 510 I C 2.555 178.638 176.117 -0.058 0.000 1.088 510 I CA 1.021 62.276 61.300 -0.075 0.000 1.357 510 I CB -0.331 37.651 38.000 -0.030 0.000 1.051 510 I HN 0.093 nan 8.210 nan 0.000 0.409 511 A N 0.748 123.564 122.820 -0.006 0.000 1.902 511 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 511 A C 2.548 180.144 177.584 0.020 0.000 1.181 511 A CA 1.892 53.931 52.037 0.004 0.000 0.623 511 A CB -0.875 18.137 19.000 0.019 0.000 0.818 511 A HN 0.436 nan 8.150 nan 0.000 0.443 512 A N -0.595 122.266 122.820 0.068 0.000 1.877 512 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 512 A C 2.138 179.802 177.584 0.134 0.000 1.186 512 A CA 1.797 53.911 52.037 0.127 0.000 0.620 512 A CB -0.629 18.505 19.000 0.222 0.000 0.822 512 A HN 0.652 nan 8.150 nan 0.000 0.443 513 L N -0.271 120.977 121.223 0.042 0.000 2.056 513 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 513 L C 2.694 179.480 176.870 -0.140 0.000 1.078 513 L CA 2.062 56.830 54.840 -0.120 0.000 0.749 513 L CB -0.910 40.818 42.059 -0.553 0.000 0.901 513 L HN 0.355 nan 8.230 nan 0.000 0.433 514 A N -1.510 121.224 122.820 -0.143 0.000 1.908 514 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 514 A C 2.269 179.791 177.584 -0.103 0.000 1.181 514 A CA 2.441 54.387 52.037 -0.152 0.000 0.627 514 A CB -1.273 17.669 19.000 -0.097 0.000 0.818 514 A HN 0.508 nan 8.150 nan 0.000 0.445 515 T N -1.426 113.111 114.554 -0.029 0.000 2.759 515 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 515 T C 1.853 176.554 174.700 0.002 0.000 1.042 515 T CA 1.961 64.063 62.100 0.004 0.000 1.140 515 T CB -0.410 68.481 68.868 0.039 0.000 0.864 515 T HN 0.810 nan 8.240 nan 0.000 0.455 516 H N 1.100 120.127 119.070 -0.073 0.000 2.326 516 H HA 0.107 4.663 4.556 -0.000 0.000 0.301 516 H C 2.005 177.248 175.328 -0.141 0.000 1.081 516 H CA 1.204 57.211 56.048 -0.069 0.000 1.334 516 H CB -0.474 29.271 29.762 -0.029 0.000 1.385 516 H HN 0.243 nan 8.280 nan 0.000 0.504 517 L N -0.037 120.985 121.223 -0.336 0.000 2.127 517 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 517 L C 2.275 178.978 176.870 -0.278 0.000 1.089 517 L CA 0.964 55.465 54.840 -0.564 0.000 0.757 517 L CB -0.500 41.047 42.059 -0.855 0.000 0.899 517 L HN 0.331 nan 8.230 nan 0.000 0.434 518 L N -0.762 120.343 121.223 -0.197 0.000 2.291 518 L HA -0.158 4.182 4.340 -0.000 0.000 0.214 518 L C 2.208 179.039 176.870 -0.064 0.000 1.120 518 L CA 1.008 55.800 54.840 -0.080 0.000 0.799 518 L CB -0.209 41.836 42.059 -0.022 0.000 0.925 518 L HN 0.372 nan 8.230 nan 0.000 0.446 519 Q N -1.484 118.187 119.800 -0.215 0.000 2.316 519 Q HA 0.193 4.533 4.340 -0.000 0.000 0.235 519 Q C -0.083 175.478 176.000 -0.731 0.000 0.863 519 Q CA 0.071 55.705 55.803 -0.283 0.000 0.939 519 Q CB 0.998 29.680 28.738 -0.092 0.000 1.108 519 Q HN 0.448 nan 8.270 nan 0.000 0.522 520 Q N -0.167 119.184 119.800 -0.750 0.000 2.379 520 Q HA 0.494 4.834 4.340 -0.000 0.000 0.278 520 Q C -1.242 174.676 176.000 -0.137 0.000 1.068 520 Q CA -0.457 54.989 55.803 -0.594 0.000 0.816 520 Q CB 2.645 31.132 28.738 -0.418 0.000 1.387 520 Q HN -0.090 nan 8.270 nan 0.000 0.413 521 S N 2.089 117.777 115.700 -0.020 0.000 2.651 521 S HA 0.552 5.022 4.470 -0.000 0.000 0.291 521 S C -2.403 172.024 174.600 -0.288 0.000 1.141 521 S CA -1.180 56.962 58.200 -0.098 0.000 1.027 521 S CB 0.972 64.152 63.200 -0.034 0.000 1.043 521 S HN 0.412 nan 8.310 nan 0.000 0.530 522 P HA 0.253 nan 4.420 nan 0.000 0.277 522 P C -0.670 176.439 177.300 -0.318 0.000 1.354 522 P CA -0.136 62.585 63.100 -0.631 0.000 0.891 522 P CB 0.091 31.095 31.700 -1.160 0.000 1.058 523 V N 0.000 119.823 119.914 -0.152 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.243 62.300 -0.095 0.000 1.235 523 V CB 0.000 31.782 31.823 -0.068 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556