REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2o6y_1_G DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.513 32.500 0.022 0.000 1.064 9 P HA 0.166 nan 4.420 nan 0.000 0.268 9 P C -1.451 175.857 177.300 0.015 0.000 1.208 9 P CA -0.364 62.747 63.100 0.018 0.000 0.777 9 P CB 0.866 32.580 31.700 0.023 0.000 0.875 10 A N 1.839 124.666 122.820 0.011 0.000 2.355 10 A HA 0.544 4.864 4.320 -0.000 0.000 0.317 10 A C -0.861 176.727 177.584 0.006 0.000 1.094 10 A CA -0.617 51.424 52.037 0.007 0.000 0.764 10 A CB 1.161 20.164 19.000 0.005 0.000 1.230 10 A HN 0.339 nan 8.150 nan 0.000 0.448 11 V N 2.466 122.380 119.914 0.000 0.000 2.350 11 V HA 0.271 4.391 4.120 -0.000 0.000 0.276 11 V C 0.323 176.414 176.094 -0.004 0.000 1.028 11 V CA -0.310 61.989 62.300 -0.001 0.000 0.860 11 V CB 1.167 32.985 31.823 -0.009 0.000 0.990 11 V HN 0.961 nan 8.190 nan 0.000 0.453 12 E N 4.529 124.729 120.200 0.001 0.000 2.130 12 E HA 0.373 4.723 4.350 -0.000 0.000 0.284 12 E C -0.972 175.628 176.600 -0.001 0.000 1.018 12 E CA -0.781 55.619 56.400 0.000 0.000 0.817 12 E CB 1.282 30.985 29.700 0.004 0.000 1.078 12 E HN 0.558 nan 8.360 nan 0.000 0.396 13 L N 5.474 126.693 121.223 -0.007 0.000 2.260 13 L HA 0.289 4.629 4.340 -0.000 0.000 0.289 13 L C -0.215 176.654 176.870 -0.002 0.000 1.057 13 L CA 0.421 55.255 54.840 -0.009 0.000 0.811 13 L CB 1.210 43.258 42.059 -0.020 0.000 1.184 13 L HN 0.728 nan 8.230 nan 0.000 0.429 14 D N 2.921 123.325 120.400 0.008 0.000 3.013 14 D HA 0.191 4.831 4.640 -0.000 0.000 0.235 14 D C 1.315 177.625 176.300 0.017 0.000 1.540 14 D CA 0.764 54.771 54.000 0.013 0.000 1.303 14 D CB 0.717 41.529 40.800 0.020 0.000 0.980 14 D HN 0.581 nan 8.370 nan 0.000 0.250 15 R N -1.794 118.728 120.500 0.036 0.000 2.243 15 R HA 0.202 4.542 4.340 -0.000 0.000 0.193 15 R C 0.125 176.472 176.300 0.078 0.000 0.933 15 R CA -0.145 55.983 56.100 0.047 0.000 1.105 15 R CB 0.687 31.018 30.300 0.051 0.000 1.169 15 R HN 0.222 nan 8.270 nan 0.000 0.599 16 H N 0.086 119.149 119.070 -0.012 0.000 2.538 16 H HA 0.544 5.100 4.556 -0.000 0.000 0.353 16 H C -1.472 173.850 175.328 -0.010 0.000 1.109 16 H CA -0.665 55.375 56.048 -0.013 0.000 1.192 16 H CB 1.529 31.284 29.762 -0.012 0.000 1.555 16 H HN -0.008 nan 8.280 nan 0.000 0.518 17 I N 4.316 124.570 120.570 -0.528 0.000 2.619 17 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 17 I C -1.173 174.688 176.117 -0.427 0.000 1.100 17 I CA -0.861 60.259 61.300 -0.300 0.000 1.043 17 I CB 1.526 39.424 38.000 -0.169 0.000 1.239 17 I HN 0.842 nan 8.210 nan 0.000 0.420 18 D N 6.027 126.334 120.400 -0.154 0.000 2.423 18 D HA 0.215 4.855 4.640 -0.000 0.000 0.255 18 D C 0.997 177.273 176.300 -0.041 0.000 1.174 18 D CA -0.557 53.405 54.000 -0.063 0.000 1.008 18 D CB 0.954 41.791 40.800 0.061 0.000 1.101 18 D HN 0.508 nan 8.370 nan 0.000 0.516 19 L N -0.430 120.792 121.223 -0.002 0.000 2.083 19 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 19 L C 1.485 178.394 176.870 0.066 0.000 1.083 19 L CA 1.374 56.231 54.840 0.028 0.000 0.752 19 L CB -0.471 41.616 42.059 0.047 0.000 0.899 19 L HN 0.439 nan 8.230 nan 0.000 0.433 20 D N -0.238 120.202 120.400 0.067 0.000 2.117 20 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 20 D C 2.341 178.686 176.300 0.075 0.000 0.982 20 D CA 1.045 55.101 54.000 0.094 0.000 0.828 20 D CB -0.086 40.760 40.800 0.078 0.000 0.967 20 D HN 0.397 nan 8.370 nan 0.000 0.464 21 Q N 0.328 120.152 119.800 0.039 0.000 2.079 21 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 21 Q C 2.223 178.222 176.000 -0.001 0.000 0.974 21 Q CA 1.327 57.140 55.803 0.017 0.000 0.840 21 Q CB -0.095 28.642 28.738 -0.001 0.000 0.898 21 Q HN 0.201 nan 8.270 nan 0.000 0.430 22 A N 0.906 123.721 122.820 -0.008 0.000 1.902 22 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 22 A C 1.963 179.527 177.584 -0.032 0.000 1.181 22 A CA 1.648 53.667 52.037 -0.030 0.000 0.623 22 A CB -0.852 18.129 19.000 -0.032 0.000 0.818 22 A HN 0.448 nan 8.150 nan 0.000 0.443 23 H N -0.026 118.994 119.070 -0.085 0.000 2.423 23 H HA 0.007 4.563 4.556 -0.000 0.000 0.297 23 H C 2.269 177.514 175.328 -0.138 0.000 1.075 23 H CA 1.464 57.422 56.048 -0.150 0.000 1.342 23 H CB -0.166 29.416 29.762 -0.299 0.000 1.395 23 H HN 0.411 nan 8.280 nan 0.000 0.530 24 A N 0.484 123.302 122.820 -0.003 0.000 1.908 24 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 24 A C 2.846 180.390 177.584 -0.066 0.000 1.181 24 A CA 1.749 53.784 52.037 -0.004 0.000 0.627 24 A CB -0.902 18.119 19.000 0.035 0.000 0.818 24 A HN 0.293 nan 8.150 nan 0.000 0.445 25 V N -0.321 119.544 119.914 -0.081 0.000 2.307 25 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 25 V C 3.057 179.051 176.094 -0.166 0.000 1.045 25 V CA 1.813 64.056 62.300 -0.094 0.000 1.024 25 V CB -1.210 30.564 31.823 -0.082 0.000 0.651 25 V HN 0.612 nan 8.190 nan 0.000 0.449 26 A N 0.775 123.456 122.820 -0.232 0.000 1.940 26 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 26 A C 2.395 179.748 177.584 -0.384 0.000 1.176 26 A CA 2.246 54.089 52.037 -0.324 0.000 0.631 26 A CB -0.651 18.162 19.000 -0.312 0.000 0.814 26 A HN 0.695 nan 8.150 nan 0.000 0.446 27 S N -2.080 113.417 115.700 -0.337 0.000 2.603 27 S HA 0.375 4.845 4.470 -0.000 0.000 0.220 27 S C 1.399 176.119 174.600 0.200 0.000 0.967 27 S CA 1.036 59.192 58.200 -0.074 0.000 0.920 27 S CB -0.270 62.799 63.200 -0.218 0.000 0.773 27 S HN 1.939 nan 8.310 nan 0.000 0.529 28 G N 0.395 109.237 108.800 0.070 0.000 2.159 28 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.256 28 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.256 28 G C 0.854 175.819 174.900 0.107 0.000 0.977 28 G CA 0.117 45.317 45.100 0.167 0.000 0.652 28 G HN 0.973 nan 8.290 nan 0.000 0.531 29 G N -0.414 108.426 108.800 0.066 0.000 2.572 29 G HA2 0.557 4.517 3.960 -0.000 0.000 0.216 29 G HA3 0.557 4.517 3.960 -0.000 0.000 0.216 29 G C 0.644 175.569 174.900 0.042 0.000 1.133 29 G CA 1.742 46.878 45.100 0.060 0.000 0.791 29 G HN 1.831 nan 8.290 nan 0.000 0.538 30 A N -0.425 122.410 122.820 0.024 0.000 2.515 30 A HA 0.786 5.106 4.320 -0.000 0.000 0.298 30 A C -0.243 177.344 177.584 0.004 0.000 1.059 30 A CA -0.842 51.204 52.037 0.015 0.000 0.698 30 A CB 1.533 20.540 19.000 0.011 0.000 1.289 30 A HN 0.206 nan 8.150 nan 0.000 0.404 31 R N 0.003 120.506 120.500 0.005 0.000 2.546 31 R HA 0.655 4.995 4.340 -0.000 0.000 0.266 31 R C -0.735 175.559 176.300 -0.010 0.000 1.086 31 R CA -0.383 55.716 56.100 -0.001 0.000 1.160 31 R CB 1.156 31.458 30.300 0.003 0.000 1.138 31 R HN 0.678 nan 8.270 nan 0.000 0.567 32 I N 0.685 121.246 120.570 -0.015 0.000 2.509 32 I HA 0.385 4.555 4.170 -0.000 0.000 0.293 32 I C -1.349 174.760 176.117 -0.015 0.000 1.020 32 I CA -0.871 60.418 61.300 -0.019 0.000 1.088 32 I CB 1.872 39.853 38.000 -0.031 0.000 1.267 32 I HN 0.188 nan 8.210 nan 0.000 0.430 33 V N 7.304 127.211 119.914 -0.012 0.000 2.789 33 V HA 0.404 4.524 4.120 -0.000 0.000 0.311 33 V C -0.708 175.380 176.094 -0.010 0.000 1.073 33 V CA -0.747 61.548 62.300 -0.009 0.000 0.921 33 V CB 1.899 33.719 31.823 -0.005 0.000 1.009 33 V HN 0.527 nan 8.190 nan 0.000 0.426 34 L N 4.027 125.243 121.223 -0.010 0.000 2.265 34 L HA 0.756 5.096 4.340 -0.000 0.000 0.288 34 L C 0.693 177.560 176.870 -0.006 0.000 1.058 34 L CA 0.271 55.105 54.840 -0.010 0.000 0.809 34 L CB 0.955 43.007 42.059 -0.012 0.000 1.179 34 L HN 0.865 nan 8.230 nan 0.000 0.429 35 A N 6.829 129.647 122.820 -0.003 0.000 2.466 35 A HA 0.363 4.683 4.320 -0.000 0.000 0.238 35 A C -1.608 175.975 177.584 -0.002 0.000 1.074 35 A CA -0.733 51.304 52.037 -0.001 0.000 0.774 35 A CB -0.378 18.624 19.000 0.003 0.000 1.015 35 A HN 0.787 nan 8.150 nan 0.000 0.498 36 P HA -0.180 nan 4.420 nan 0.000 0.216 36 P C -1.288 176.011 177.300 -0.002 0.000 1.157 36 P CA 2.159 65.258 63.100 -0.002 0.000 0.880 36 P CB -0.729 30.971 31.700 -0.001 0.000 0.791 37 P HA -0.145 nan 4.420 nan 0.000 0.218 37 P C 1.252 178.553 177.300 0.001 0.000 1.149 37 P CA 1.888 64.989 63.100 0.001 0.000 0.817 37 P CB -0.418 31.284 31.700 0.003 0.000 0.785 38 A N 0.641 123.461 122.820 0.000 0.000 1.897 38 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 38 A C 2.562 180.144 177.584 -0.005 0.000 1.181 38 A CA 1.238 53.274 52.037 -0.001 0.000 0.620 38 A CB -1.244 17.755 19.000 -0.002 0.000 0.821 38 A HN 0.034 nan 8.150 nan 0.000 0.443 39 R N -0.180 120.316 120.500 -0.007 0.000 2.091 39 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 39 R C 1.280 177.573 176.300 -0.011 0.000 1.136 39 R CA 2.004 58.097 56.100 -0.011 0.000 0.959 39 R CB -0.394 29.899 30.300 -0.011 0.000 0.856 39 R HN 0.451 nan 8.270 nan 0.000 0.437 40 D N 0.018 120.413 120.400 -0.007 0.000 2.117 40 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 40 D C 2.067 178.363 176.300 -0.005 0.000 0.982 40 D CA 1.001 54.997 54.000 -0.007 0.000 0.828 40 D CB -0.184 40.614 40.800 -0.004 0.000 0.967 40 D HN 0.286 nan 8.370 nan 0.000 0.464 41 R N 0.079 120.578 120.500 -0.002 0.000 2.096 41 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 41 R C 2.461 178.761 176.300 0.001 0.000 1.127 41 R CA 0.907 57.009 56.100 0.003 0.000 0.968 41 R CB -0.448 29.856 30.300 0.006 0.000 0.861 41 R HN 0.225 nan 8.270 nan 0.000 0.440 42 C N -0.117 119.181 119.300 -0.005 0.000 2.440 42 C HA -0.007 4.453 4.460 -0.000 0.000 0.278 42 C C 2.561 177.537 174.990 -0.023 0.000 1.295 42 C CA 0.440 59.452 59.018 -0.010 0.000 1.738 42 C CB -0.756 26.975 27.740 -0.015 0.000 1.987 42 C HN 0.453 nan 8.230 nan 0.000 0.492 43 R N 1.075 121.560 120.500 -0.025 0.000 2.096 43 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 43 R C 2.376 178.659 176.300 -0.029 0.000 1.127 43 R CA 1.558 57.638 56.100 -0.032 0.000 0.968 43 R CB -0.426 29.859 30.300 -0.025 0.000 0.861 43 R HN 0.543 nan 8.270 nan 0.000 0.440 44 A N 0.159 122.968 122.820 -0.018 0.000 1.930 44 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 44 A C 2.168 179.740 177.584 -0.020 0.000 1.175 44 A CA 1.764 53.792 52.037 -0.014 0.000 0.627 44 A CB -0.541 18.457 19.000 -0.003 0.000 0.815 44 A HN 0.290 nan 8.150 nan 0.000 0.443 45 S N -0.807 114.885 115.700 -0.014 0.000 2.383 45 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 45 S C 2.012 176.565 174.600 -0.079 0.000 1.026 45 S CA 1.525 59.716 58.200 -0.015 0.000 0.981 45 S CB -0.325 62.892 63.200 0.028 0.000 0.818 45 S HN 0.678 nan 8.310 nan 0.000 0.472 46 E N 0.386 120.543 120.200 -0.073 0.000 2.085 46 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 46 E C 2.064 178.603 176.600 -0.101 0.000 0.994 46 E CA 1.111 57.451 56.400 -0.099 0.000 0.801 46 E CB -0.358 29.285 29.700 -0.096 0.000 0.743 46 E HN 0.602 nan 8.360 nan 0.000 0.453 47 A N 1.228 124.005 122.820 -0.073 0.000 1.930 47 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 47 A C 2.139 179.673 177.584 -0.083 0.000 1.175 47 A CA 1.242 53.244 52.037 -0.058 0.000 0.627 47 A CB -0.391 18.588 19.000 -0.035 0.000 0.815 47 A HN 0.178 nan 8.150 nan 0.000 0.443 48 R N -1.137 119.301 120.500 -0.104 0.000 2.096 48 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 48 R C 2.077 178.218 176.300 -0.266 0.000 1.127 48 R CA 1.370 57.394 56.100 -0.127 0.000 0.968 48 R CB -0.562 29.693 30.300 -0.076 0.000 0.861 48 R HN 0.498 nan 8.270 nan 0.000 0.440 49 L N 0.590 121.565 121.223 -0.414 0.000 2.046 49 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 49 L C 2.123 178.845 176.870 -0.247 0.000 1.077 49 L CA 2.037 56.542 54.840 -0.559 0.000 0.747 49 L CB -0.958 40.791 42.059 -0.517 0.000 0.896 49 L HN 0.151 nan 8.230 nan 0.000 0.432 50 G N -0.972 107.741 108.800 -0.145 0.000 2.440 50 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 50 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 50 G C 1.582 176.449 174.900 -0.054 0.000 1.154 50 G CA 0.833 45.893 45.100 -0.066 0.000 0.767 50 G HN 0.641 nan 8.290 nan 0.000 0.552 51 A N 0.019 122.803 122.820 -0.061 0.000 1.930 51 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 51 A C 2.582 180.155 177.584 -0.019 0.000 1.175 51 A CA 1.607 53.626 52.037 -0.031 0.000 0.627 51 A CB -0.567 18.419 19.000 -0.023 0.000 0.815 51 A HN 0.238 nan 8.150 nan 0.000 0.443 52 V N 0.290 120.180 119.914 -0.040 0.000 2.332 52 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 52 V C 2.401 178.510 176.094 0.025 0.000 1.055 52 V CA 2.120 64.428 62.300 0.013 0.000 1.038 52 V CB -0.606 31.227 31.823 0.017 0.000 0.651 52 V HN 0.577 nan 8.190 nan 0.000 0.450 53 I N -0.742 119.824 120.570 -0.006 0.000 2.233 53 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 53 I C 2.718 178.840 176.117 0.007 0.000 1.093 53 I CA 1.453 62.758 61.300 0.007 0.000 1.380 53 I CB -0.444 37.552 38.000 -0.007 0.000 1.067 53 I HN 0.171 nan 8.210 nan 0.000 0.413 54 R N 1.172 121.671 120.500 -0.002 0.000 2.091 54 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 54 R C 1.772 178.077 176.300 0.008 0.000 1.136 54 R CA 1.737 57.837 56.100 0.000 0.000 0.959 54 R CB -0.049 30.249 30.300 -0.004 0.000 0.856 54 R HN 0.411 nan 8.270 nan 0.000 0.437 55 E N -0.796 119.413 120.200 0.016 0.000 2.489 55 E HA 0.091 4.441 4.350 -0.000 0.000 0.193 55 E C 0.268 176.887 176.600 0.031 0.000 1.057 55 E CA 0.402 56.816 56.400 0.024 0.000 0.866 55 E CB 0.504 30.223 29.700 0.031 0.000 0.916 55 E HN 0.440 nan 8.360 nan 0.000 0.500 56 A N 1.967 124.806 122.820 0.032 0.000 2.791 56 A HA -0.228 4.092 4.320 -0.000 0.000 0.292 56 A C 0.000 177.621 177.584 0.061 0.000 1.487 56 A CA 0.532 52.590 52.037 0.036 0.000 0.760 56 A CB -1.348 17.663 19.000 0.017 0.000 1.031 56 A HN 0.126 nan 8.150 nan 0.000 0.503 57 R N 0.124 120.677 120.500 0.089 0.000 2.590 57 R HA 0.128 4.468 4.340 -0.000 0.000 0.274 57 R C 0.508 176.922 176.300 0.190 0.000 1.061 57 R CA -0.147 56.033 56.100 0.132 0.000 1.081 57 R CB 0.120 30.508 30.300 0.147 0.000 0.984 57 R HN 0.714 nan 8.270 nan 0.000 0.448 58 H N 1.849 120.960 119.070 0.069 0.000 3.160 58 H HA 0.203 4.759 4.556 0.000 0.000 0.257 58 H C -0.881 174.515 175.328 0.113 0.000 1.140 58 H CA -0.361 55.718 56.048 0.052 0.000 1.492 58 H CB 0.195 29.962 29.762 0.009 0.000 1.529 58 H HN 0.052 nan 8.280 nan 0.000 0.490 59 V N 6.314 126.431 119.914 0.338 0.000 2.686 59 V HA 0.001 4.121 4.120 -0.000 0.000 0.306 59 V C -0.751 175.568 176.094 0.375 0.000 1.065 59 V CA -1.009 61.522 62.300 0.385 0.000 0.894 59 V CB 1.364 33.408 31.823 0.369 0.000 1.004 59 V HN 0.648 nan 8.190 nan 0.000 0.424 60 Y N 3.683 124.223 120.300 0.400 0.000 2.805 60 Y HA 0.359 4.908 4.550 -0.000 0.000 0.331 60 Y C 1.362 177.349 175.900 0.144 0.000 1.241 60 Y CA 1.852 60.076 58.100 0.207 0.000 1.546 60 Y CB 0.492 39.127 38.460 0.290 0.000 1.248 60 Y HN 1.060 nan 8.280 nan 0.000 0.559 61 G N 4.063 112.576 108.800 -0.478 0.000 2.199 61 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 61 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 61 G C 0.590 175.458 174.900 -0.053 0.000 0.982 61 G CA 0.566 45.492 45.100 -0.289 0.000 0.632 61 G HN 0.672 nan 8.290 nan 0.000 0.529 62 L N -0.234 120.990 121.223 0.001 0.000 2.577 62 L HA 0.297 4.637 4.340 -0.000 0.000 0.225 62 L C 2.169 179.043 176.870 0.007 0.000 1.053 62 L CA 1.510 56.379 54.840 0.049 0.000 0.866 62 L CB 0.535 42.670 42.059 0.127 0.000 1.132 62 L HN 0.435 nan 8.230 nan 0.000 0.486 63 T N -4.044 110.512 114.554 0.003 0.000 3.332 63 T HA 0.186 4.536 4.350 -0.000 0.000 0.304 63 T C 0.270 174.933 174.700 -0.062 0.000 0.971 63 T CA 0.130 62.221 62.100 -0.015 0.000 0.954 63 T CB 0.067 68.955 68.868 0.033 0.000 1.175 63 T HN 0.174 nan 8.240 nan 0.000 0.519 64 T N -1.808 112.657 114.554 -0.148 0.000 2.864 64 T HA 0.776 5.126 4.350 -0.000 0.000 0.299 64 T C 0.567 174.976 174.700 -0.485 0.000 1.166 64 T CA -0.283 61.696 62.100 -0.202 0.000 1.007 64 T CB 1.455 70.288 68.868 -0.057 0.000 1.219 64 T HN 0.289 nan 8.240 nan 0.000 0.506 65 G N -0.060 108.504 108.800 -0.393 0.000 2.553 65 G HA2 0.562 4.522 3.960 -0.000 0.000 0.278 65 G HA3 0.562 4.522 3.960 -0.000 0.000 0.278 65 G C -1.060 173.382 174.900 -0.763 0.000 1.349 65 G CA -0.789 44.003 45.100 -0.512 0.000 1.037 65 G HN 0.565 nan 8.290 nan 0.000 0.508 66 F N -0.913 118.979 119.950 -0.095 0.000 2.507 66 F HA 0.603 5.130 4.527 0.000 0.000 0.327 66 F C 1.155 177.035 175.800 0.133 0.000 1.068 66 F CA 0.404 58.386 58.000 -0.030 0.000 0.965 66 F CB 1.458 40.467 39.000 0.016 0.000 1.192 66 F HN 1.025 nan 8.300 nan 0.000 0.476 67 G N 2.006 111.107 108.800 0.501 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 -1.868 173.148 174.900 0.193 0.000 1.240 67 G CA -0.051 45.215 45.100 0.277 0.000 0.985 67 G HN 0.516 nan 8.290 nan 0.000 0.555 68 P HA 0.102 nan 4.420 nan 0.000 0.225 68 P C 1.792 179.130 177.300 0.063 0.000 1.148 68 P CA 0.912 64.058 63.100 0.076 0.000 0.779 68 P CB -0.086 31.644 31.700 0.050 0.000 0.780 69 L N -1.571 119.688 121.223 0.061 0.000 2.627 69 L HA 0.120 4.460 4.340 -0.000 0.000 0.233 69 L C 2.011 178.882 176.870 0.001 0.000 1.144 69 L CA 0.165 55.018 54.840 0.021 0.000 0.892 69 L CB -0.763 41.298 42.059 0.004 0.000 1.039 69 L HN -0.037 nan 8.230 nan 0.000 0.442 70 A N 1.337 124.190 122.820 0.054 0.000 2.172 70 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 70 A C 1.997 179.610 177.584 0.049 0.000 1.154 70 A CA 1.307 53.377 52.037 0.055 0.000 0.701 70 A CB -0.501 18.636 19.000 0.229 0.000 0.789 70 A HN 0.649 nan 8.150 nan 0.000 0.465 71 N N -0.449 118.273 118.700 0.037 0.000 2.515 71 N HA -0.050 4.690 4.740 -0.000 0.000 0.185 71 N C 0.055 175.560 175.510 -0.009 0.000 1.109 71 N CA 0.294 53.360 53.050 0.026 0.000 0.903 71 N CB -0.212 38.289 38.487 0.023 0.000 0.969 71 N HN 0.192 nan 8.380 nan 0.000 0.450 72 R N 1.020 121.504 120.500 -0.028 0.000 2.205 72 R HA 0.386 4.726 4.340 -0.000 0.000 0.342 72 R C -0.221 176.033 176.300 -0.076 0.000 1.058 72 R CA -0.276 55.795 56.100 -0.049 0.000 0.904 72 R CB 0.737 31.008 30.300 -0.049 0.000 1.089 72 R HN 0.152 nan 8.270 nan 0.000 0.471 73 L N 4.170 125.342 121.223 -0.085 0.000 2.397 73 L HA 0.363 4.703 4.340 -0.000 0.000 0.271 73 L C 0.098 176.912 176.870 -0.093 0.000 1.148 73 L CA -0.391 54.382 54.840 -0.112 0.000 0.825 73 L CB 0.596 42.563 42.059 -0.153 0.000 1.117 73 L HN 0.356 nan 8.230 nan 0.000 0.456 74 I N 1.550 122.064 120.570 -0.094 0.000 2.441 74 I HA 0.222 4.392 4.170 -0.000 0.000 0.295 74 I C 0.351 176.435 176.117 -0.055 0.000 0.994 74 I CA -0.242 61.013 61.300 -0.074 0.000 1.144 74 I CB 1.688 39.634 38.000 -0.089 0.000 1.314 74 I HN 0.522 nan 8.210 nan 0.000 0.445 75 S N 3.080 118.754 115.700 -0.042 0.000 2.580 75 S HA 0.338 4.808 4.470 -0.000 0.000 0.274 75 S C 1.457 176.043 174.600 -0.023 0.000 1.329 75 S CA 0.100 58.281 58.200 -0.031 0.000 1.036 75 S CB 1.209 64.394 63.200 -0.026 0.000 0.919 75 S HN 0.883 nan 8.310 nan 0.000 0.515 76 G N 2.608 111.397 108.800 -0.017 0.000 2.485 76 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.221 76 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.221 76 G C 1.167 176.060 174.900 -0.011 0.000 1.115 76 G CA 1.127 46.220 45.100 -0.011 0.000 0.751 76 G HN 0.944 nan 8.290 nan 0.000 0.567 77 E N 0.093 120.285 120.200 -0.013 0.000 2.338 77 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 77 E C 1.151 177.746 176.600 -0.009 0.000 1.007 77 E CA 0.811 57.204 56.400 -0.011 0.000 0.849 77 E CB -0.127 29.567 29.700 -0.011 0.000 0.774 77 E HN 0.329 nan 8.360 nan 0.000 0.506 78 N N 0.590 119.285 118.700 -0.009 0.000 2.204 78 N HA 0.066 4.806 4.740 -0.000 0.000 0.219 78 N C 1.208 176.717 175.510 -0.001 0.000 1.151 78 N CA 0.098 53.145 53.050 -0.005 0.000 0.867 78 N CB 1.278 39.760 38.487 -0.007 0.000 1.043 78 N HN 0.049 nan 8.380 nan 0.000 0.516 79 V N 1.077 120.990 119.914 -0.002 0.000 2.427 79 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 79 V C 2.409 178.514 176.094 0.018 0.000 1.051 79 V CA 1.302 63.606 62.300 0.008 0.000 1.048 79 V CB -0.200 31.627 31.823 0.008 0.000 0.666 79 V HN 0.239 nan 8.190 nan 0.000 0.456 80 R N 0.230 120.734 120.500 0.007 0.000 2.083 80 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 80 R C 2.347 178.650 176.300 0.005 0.000 1.137 80 R CA 2.014 58.116 56.100 0.002 0.000 0.951 80 R CB -1.296 29.000 30.300 -0.006 0.000 0.851 80 R HN 0.508 nan 8.270 nan 0.000 0.434 81 T N 2.220 116.782 114.554 0.013 0.000 2.821 81 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 81 T C 1.886 176.612 174.700 0.044 0.000 1.046 81 T CA 0.921 63.036 62.100 0.024 0.000 1.139 81 T CB -0.260 68.626 68.868 0.029 0.000 0.871 81 T HN 0.084 nan 8.240 nan 0.000 0.454 82 L N 1.370 122.627 121.223 0.058 0.000 1.989 82 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 82 L C 2.399 179.385 176.870 0.193 0.000 1.071 82 L CA 1.852 56.764 54.840 0.119 0.000 0.749 82 L CB -0.603 41.495 42.059 0.064 0.000 0.890 82 L HN 0.244 nan 8.230 nan 0.000 0.431 83 Q N -0.942 118.929 119.800 0.118 0.000 2.230 83 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 83 Q C 2.206 178.161 176.000 -0.074 0.000 0.963 83 Q CA 1.051 56.894 55.803 0.067 0.000 0.866 83 Q CB -0.239 28.531 28.738 0.054 0.000 0.931 83 Q HN 0.703 nan 8.270 nan 0.000 0.452 84 A N 1.750 124.511 122.820 -0.098 0.000 1.898 84 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 84 A C 1.747 179.070 177.584 -0.435 0.000 1.181 84 A CA 1.331 53.207 52.037 -0.269 0.000 0.620 84 A CB -0.298 18.591 19.000 -0.185 0.000 0.819 84 A HN 0.250 nan 8.150 nan 0.000 0.442 85 N N -0.265 118.355 118.700 -0.132 0.000 2.396 85 N HA -0.080 4.660 4.740 -0.000 0.000 0.180 85 N C 1.517 177.048 175.510 0.035 0.000 1.028 85 N CA 1.084 54.154 53.050 0.034 0.000 0.893 85 N CB -0.439 38.146 38.487 0.163 0.000 0.967 85 N HN 0.460 nan 8.380 nan 0.000 0.440 86 L N 0.792 121.961 121.223 -0.091 0.000 1.994 86 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 86 L C 1.904 178.450 176.870 -0.540 0.000 1.071 86 L CA 1.476 56.074 54.840 -0.403 0.000 0.745 86 L CB -0.720 40.933 42.059 -0.677 0.000 0.892 86 L HN -0.116 nan 8.230 nan 0.000 0.431 87 V N -0.220 119.460 119.914 -0.391 0.000 2.343 87 V HA -0.349 3.771 4.120 -0.000 0.000 0.247 87 V C 2.398 178.338 176.094 -0.257 0.000 1.051 87 V CA 2.251 64.344 62.300 -0.346 0.000 1.036 87 V CB -1.057 30.588 31.823 -0.296 0.000 0.654 87 V HN 0.631 nan 8.190 nan 0.000 0.451 88 H N -0.354 118.602 119.070 -0.190 0.000 2.293 88 H HA -0.188 4.367 4.556 -0.000 0.000 0.300 88 H C 2.373 177.633 175.328 -0.113 0.000 1.082 88 H CA 1.714 57.687 56.048 -0.125 0.000 1.308 88 H CB -0.232 29.506 29.762 -0.040 0.000 1.375 88 H HN 0.671 nan 8.280 nan 0.000 0.495 89 H N 0.547 119.640 119.070 0.038 0.000 2.491 89 H HA -0.051 4.505 4.556 0.000 0.000 0.290 89 H C 1.819 177.118 175.328 -0.049 0.000 1.050 89 H CA 0.872 56.915 56.048 -0.008 0.000 1.309 89 H CB -0.223 29.536 29.762 -0.005 0.000 1.392 89 H HN 0.336 nan 8.280 nan 0.000 0.554 90 L N 0.901 121.832 121.223 -0.486 0.000 2.418 90 L HA 0.159 4.499 4.340 -0.000 0.000 0.218 90 L C 1.890 178.629 176.870 -0.218 0.000 1.125 90 L CA 0.340 54.971 54.840 -0.348 0.000 0.835 90 L CB -0.009 41.770 42.059 -0.467 0.000 0.953 90 L HN 0.256 nan 8.230 nan 0.000 0.454 91 A N 0.122 122.776 122.820 -0.277 0.000 3.029 91 A HA 0.154 4.474 4.320 -0.000 0.000 0.251 91 A C 1.230 178.768 177.584 -0.076 0.000 1.749 91 A CA 0.255 52.000 52.037 -0.487 0.000 1.386 91 A CB -0.656 17.995 19.000 -0.582 0.000 1.043 91 A HN 0.353 nan 8.150 nan 0.000 0.638 92 S N -0.613 115.142 115.700 0.092 0.000 2.574 92 S HA 0.377 4.847 4.470 -0.000 0.000 0.242 92 S C 0.859 175.561 174.600 0.169 0.000 0.982 92 S CA 0.071 58.347 58.200 0.128 0.000 0.977 92 S CB 0.071 63.314 63.200 0.071 0.000 0.814 92 S HN 0.737 nan 8.310 nan 0.000 0.464 93 G N 1.481 110.483 108.800 0.338 0.000 2.527 93 G HA2 0.513 4.473 3.960 -0.000 0.000 0.248 93 G HA3 0.513 4.473 3.960 -0.000 0.000 0.248 93 G C -0.149 174.719 174.900 -0.053 0.000 1.231 93 G CA 0.047 45.184 45.100 0.062 0.000 0.838 93 G HN 1.009 nan 8.290 nan 0.000 0.570 94 V N -0.955 118.923 119.914 -0.060 0.000 3.167 94 V HA 1.036 5.156 4.120 -0.000 0.000 0.310 94 V C 0.562 176.620 176.094 -0.060 0.000 1.207 94 V CA -0.101 62.166 62.300 -0.056 0.000 1.059 94 V CB 1.111 32.923 31.823 -0.019 0.000 1.079 94 V HN 2.540 nan 8.190 nan 0.000 0.446 95 G N 0.502 109.275 108.800 -0.046 0.000 2.661 95 G HA2 0.072 4.032 3.960 -0.000 0.000 0.685 95 G HA3 0.072 4.032 3.960 -0.000 0.000 0.685 95 G C -2.777 172.098 174.900 -0.041 0.000 1.298 95 G CA -0.310 44.769 45.100 -0.035 0.000 0.855 95 G HN 1.117 nan 8.290 nan 0.000 0.560 96 P HA 0.400 nan 4.420 nan 0.000 0.267 96 P C 0.865 178.148 177.300 -0.029 0.000 1.200 96 P CA 0.437 63.526 63.100 -0.019 0.000 0.772 96 P CB 0.774 32.472 31.700 -0.004 0.000 0.855 97 V N 1.308 121.206 119.914 -0.027 0.000 3.051 97 V HA 0.157 4.277 4.120 -0.000 0.000 0.306 97 V C 0.672 176.761 176.094 -0.008 0.000 1.083 97 V CA -0.686 61.594 62.300 -0.034 0.000 1.104 97 V CB -0.480 31.328 31.823 -0.026 0.000 1.027 97 V HN 0.299 nan 8.190 nan 0.000 0.483 98 L N 2.793 124.007 121.223 -0.014 0.000 2.456 98 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 98 L C 0.627 177.519 176.870 0.036 0.000 1.189 98 L CA -0.230 54.614 54.840 0.006 0.000 0.846 98 L CB 0.206 42.259 42.059 -0.010 0.000 1.111 98 L HN 1.028 nan 8.230 nan 0.000 0.475 99 D N 0.295 120.732 120.400 0.063 0.000 2.361 99 D HA -0.126 4.514 4.640 -0.000 0.000 0.239 99 D C 0.719 177.114 176.300 0.159 0.000 1.200 99 D CA -0.391 53.678 54.000 0.116 0.000 0.915 99 D CB 0.481 41.355 40.800 0.124 0.000 1.170 99 D HN 0.558 nan 8.370 nan 0.000 0.444 100 W N 1.114 122.418 121.300 0.007 0.000 2.290 100 W HA -0.302 4.358 4.660 -0.000 0.000 0.323 100 W C 2.181 178.695 176.519 -0.009 0.000 1.260 100 W CA 2.911 60.260 57.345 0.006 0.000 1.266 100 W CB -0.793 28.673 29.460 0.010 0.000 1.149 100 W HN 0.439 nan 8.180 nan 0.000 0.482 101 T N -0.341 114.353 114.554 0.233 0.000 2.746 101 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 101 T C 1.558 176.190 174.700 -0.114 0.000 1.039 101 T CA 2.281 64.368 62.100 -0.023 0.000 1.142 101 T CB -0.889 68.052 68.868 0.123 0.000 0.866 101 T HN 0.187 nan 8.240 nan 0.000 0.444 102 T N 1.956 116.500 114.554 -0.017 0.000 2.777 102 T HA 0.032 4.382 4.350 -0.000 0.000 0.266 102 T C 2.429 177.088 174.700 -0.069 0.000 1.040 102 T CA 1.075 63.161 62.100 -0.022 0.000 1.141 102 T CB -0.508 68.375 68.868 0.024 0.000 0.868 102 T HN 0.426 nan 8.240 nan 0.000 0.444 103 A N 1.714 124.483 122.820 -0.086 0.000 1.933 103 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 103 A C 2.372 179.857 177.584 -0.165 0.000 1.175 103 A CA 1.314 53.287 52.037 -0.107 0.000 0.628 103 A CB -0.440 18.503 19.000 -0.096 0.000 0.814 103 A HN 0.395 nan 8.150 nan 0.000 0.444 104 R N -0.591 119.745 120.500 -0.273 0.000 2.115 104 R HA 0.012 4.352 4.340 -0.000 0.000 0.230 104 R C 2.410 178.579 176.300 -0.217 0.000 1.111 104 R CA 1.021 56.931 56.100 -0.316 0.000 0.976 104 R CB -0.388 29.574 30.300 -0.564 0.000 0.870 104 R HN 0.502 nan 8.270 nan 0.000 0.445 105 A N 1.140 123.850 122.820 -0.183 0.000 1.933 105 A HA -0.184 4.135 4.320 -0.000 0.000 0.218 105 A C 2.108 179.639 177.584 -0.089 0.000 1.175 105 A CA 1.291 53.254 52.037 -0.124 0.000 0.628 105 A CB -0.436 18.515 19.000 -0.082 0.000 0.814 105 A HN 0.329 nan 8.150 nan 0.000 0.444 106 M N -0.284 119.267 119.600 -0.082 0.000 2.099 106 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 106 M C 1.876 178.138 176.300 -0.064 0.000 1.067 106 M CA 1.978 57.242 55.300 -0.060 0.000 1.124 106 M CB -0.236 32.333 32.600 -0.052 0.000 1.353 106 M HN 0.185 nan 8.290 nan 0.000 0.410 107 V N 1.152 121.017 119.914 -0.081 0.000 2.332 107 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 107 V C 2.438 178.491 176.094 -0.068 0.000 1.055 107 V CA 1.793 64.049 62.300 -0.072 0.000 1.038 107 V CB -0.984 30.788 31.823 -0.085 0.000 0.651 107 V HN 0.593 nan 8.190 nan 0.000 0.450 108 L N 0.969 122.141 121.223 -0.084 0.000 2.017 108 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 108 L C 2.460 179.292 176.870 -0.062 0.000 1.073 108 L CA 2.410 57.203 54.840 -0.077 0.000 0.745 108 L CB -1.009 40.995 42.059 -0.093 0.000 0.894 108 L HN 0.217 nan 8.230 nan 0.000 0.432 109 A N -0.458 122.327 122.820 -0.059 0.000 1.940 109 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 109 A C 2.462 180.023 177.584 -0.039 0.000 1.176 109 A CA 1.905 53.912 52.037 -0.049 0.000 0.631 109 A CB -0.628 18.346 19.000 -0.043 0.000 0.814 109 A HN 0.493 nan 8.150 nan 0.000 0.446 110 R N -0.666 119.813 120.500 -0.035 0.000 2.075 110 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 110 R C 1.934 178.220 176.300 -0.023 0.000 1.126 110 R CA 1.531 57.617 56.100 -0.024 0.000 0.963 110 R CB -0.663 29.623 30.300 -0.023 0.000 0.858 110 R HN 0.444 nan 8.270 nan 0.000 0.435 111 L N -0.140 121.065 121.223 -0.031 0.000 2.046 111 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 111 L C 1.879 178.732 176.870 -0.028 0.000 1.077 111 L CA 1.608 56.431 54.840 -0.029 0.000 0.747 111 L CB -0.455 41.583 42.059 -0.036 0.000 0.896 111 L HN 0.067 nan 8.230 nan 0.000 0.432 112 V N -1.070 118.821 119.914 -0.037 0.000 2.407 112 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 112 V C 2.755 178.831 176.094 -0.029 0.000 1.055 112 V CA 1.761 64.037 62.300 -0.040 0.000 1.049 112 V CB -0.784 31.003 31.823 -0.060 0.000 0.662 112 V HN 0.640 nan 8.190 nan 0.000 0.455 113 S N -0.219 115.465 115.700 -0.025 0.000 2.356 113 S HA -0.166 4.304 4.470 -0.000 0.000 0.223 113 S C 1.947 176.545 174.600 -0.004 0.000 1.032 113 S CA 1.788 59.979 58.200 -0.016 0.000 1.005 113 S CB -0.368 62.825 63.200 -0.012 0.000 0.867 113 S HN 0.511 nan 8.310 nan 0.000 0.449 114 I N 1.760 122.330 120.570 -0.001 0.000 2.264 114 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 114 I C 2.679 178.799 176.117 0.006 0.000 1.111 114 I CA 1.134 62.439 61.300 0.009 0.000 1.382 114 I CB -0.494 37.508 38.000 0.005 0.000 1.060 114 I HN 0.388 nan 8.210 nan 0.000 0.418 115 A N -0.017 122.801 122.820 -0.004 0.000 2.131 115 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 115 A C 2.084 179.669 177.584 0.002 0.000 1.158 115 A CA 1.169 53.203 52.037 -0.004 0.000 0.665 115 A CB -0.325 18.669 19.000 -0.011 0.000 0.795 115 A HN 0.410 nan 8.150 nan 0.000 0.460 116 Q N -1.175 118.628 119.800 0.005 0.000 2.436 116 Q HA 0.079 4.419 4.340 -0.000 0.000 0.209 116 Q C 1.246 177.255 176.000 0.016 0.000 0.965 116 Q CA 0.808 56.616 55.803 0.008 0.000 0.910 116 Q CB -0.536 28.205 28.738 0.004 0.000 0.980 116 Q HN 1.056 nan 8.270 nan 0.000 0.491 117 G N 0.355 109.169 108.800 0.022 0.000 2.212 117 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.255 117 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.255 117 G C 0.456 175.391 174.900 0.059 0.000 1.062 117 G CA 0.406 45.526 45.100 0.033 0.000 0.815 117 G HN 0.525 nan 8.290 nan 0.000 0.497 118 A N -1.026 121.839 122.820 0.075 0.000 2.635 118 A HA 0.721 5.041 4.320 -0.000 0.000 0.279 118 A C 1.639 179.340 177.584 0.194 0.000 1.122 118 A CA 1.374 53.480 52.037 0.115 0.000 0.965 118 A CB 0.283 19.309 19.000 0.044 0.000 1.221 118 A HN 0.780 nan 8.150 nan 0.000 0.566 119 S N -1.095 114.718 115.700 0.189 0.000 2.511 119 S HA 0.361 4.831 4.470 -0.000 0.000 0.214 119 S C 1.553 176.339 174.600 0.309 0.000 0.997 119 S CA 0.698 59.039 58.200 0.234 0.000 0.908 119 S CB 0.414 63.682 63.200 0.114 0.000 0.803 119 S HN 1.656 nan 8.310 nan 0.000 0.504 120 G N 1.928 110.834 108.800 0.177 0.000 2.168 120 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.263 120 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.263 120 G C 0.250 175.137 174.900 -0.022 0.000 0.977 120 G CA 0.063 45.154 45.100 -0.016 0.000 0.659 120 G HN 0.906 nan 8.290 nan 0.000 0.533 121 A N 0.440 123.269 122.820 0.014 0.000 2.540 121 A HA 0.592 4.912 4.320 -0.000 0.000 0.239 121 A C 1.183 178.722 177.584 -0.075 0.000 1.061 121 A CA 1.049 53.076 52.037 -0.016 0.000 0.758 121 A CB 0.169 19.167 19.000 -0.003 0.000 0.991 121 A HN 2.041 nan 8.150 nan 0.000 0.502 122 S N 1.762 117.384 115.700 -0.130 0.000 2.600 122 S HA 0.164 4.634 4.470 -0.000 0.000 0.265 122 S C 0.767 175.264 174.600 -0.171 0.000 1.325 122 S CA 0.148 58.197 58.200 -0.251 0.000 1.002 122 S CB 0.640 63.512 63.200 -0.547 0.000 0.921 122 S HN 0.719 nan 8.310 nan 0.000 0.554 123 E N 1.382 121.478 120.200 -0.174 0.000 2.085 123 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 123 E C 2.149 178.702 176.600 -0.078 0.000 0.994 123 E CA 1.198 57.538 56.400 -0.101 0.000 0.801 123 E CB -0.772 28.879 29.700 -0.082 0.000 0.743 123 E HN 0.901 nan 8.360 nan 0.000 0.453 124 G N 0.577 109.321 108.800 -0.094 0.000 2.418 124 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 124 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 124 G C 1.633 176.515 174.900 -0.030 0.000 1.158 124 G CA 1.255 46.329 45.100 -0.043 0.000 0.771 124 G HN 0.184 nan 8.290 nan 0.000 0.545 125 T N 1.337 115.865 114.554 -0.044 0.000 2.746 125 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 125 T C 2.382 177.069 174.700 -0.021 0.000 1.039 125 T CA 0.967 63.053 62.100 -0.022 0.000 1.142 125 T CB -0.154 68.699 68.868 -0.024 0.000 0.866 125 T HN 0.249 nan 8.240 nan 0.000 0.444 126 I N 1.282 121.834 120.570 -0.031 0.000 2.226 126 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 126 I C 2.884 178.989 176.117 -0.020 0.000 1.100 126 I CA 1.041 62.325 61.300 -0.025 0.000 1.374 126 I CB -0.447 37.535 38.000 -0.030 0.000 1.057 126 I HN 0.189 nan 8.210 nan 0.000 0.413 127 A N 0.734 123.542 122.820 -0.020 0.000 1.972 127 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 127 A C 2.327 179.907 177.584 -0.006 0.000 1.169 127 A CA 1.258 53.287 52.037 -0.014 0.000 0.635 127 A CB -0.380 18.612 19.000 -0.013 0.000 0.810 127 A HN 0.251 nan 8.150 nan 0.000 0.446 128 R N -0.208 120.291 120.500 -0.001 0.000 2.092 128 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 128 R C 2.010 178.316 176.300 0.011 0.000 1.119 128 R CA 1.134 57.241 56.100 0.012 0.000 0.970 128 R CB -0.955 29.357 30.300 0.021 0.000 0.864 128 R HN 0.597 nan 8.270 nan 0.000 0.440 129 L N 0.116 121.338 121.223 -0.001 0.000 2.072 129 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 129 L C 2.486 179.346 176.870 -0.018 0.000 1.079 129 L CA 1.073 55.907 54.840 -0.010 0.000 0.752 129 L CB -0.465 41.583 42.059 -0.019 0.000 0.906 129 L HN 0.054 nan 8.230 nan 0.000 0.436 130 I N 0.022 120.582 120.570 -0.018 0.000 2.179 130 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 130 I C 2.149 178.256 176.117 -0.017 0.000 1.088 130 I CA 1.232 62.519 61.300 -0.021 0.000 1.357 130 I CB -0.406 37.583 38.000 -0.018 0.000 1.051 130 I HN 0.262 nan 8.210 nan 0.000 0.409 131 D N 0.790 121.184 120.400 -0.010 0.000 2.123 131 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 131 D C 2.137 178.433 176.300 -0.006 0.000 0.992 131 D CA 0.972 54.968 54.000 -0.007 0.000 0.833 131 D CB -0.375 40.422 40.800 -0.005 0.000 0.954 131 D HN 0.157 nan 8.370 nan 0.000 0.455 132 L N 0.803 122.029 121.223 0.004 0.000 2.012 132 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 132 L C 2.139 178.995 176.870 -0.025 0.000 1.073 132 L CA 1.454 56.303 54.840 0.014 0.000 0.748 132 L CB -0.903 41.181 42.059 0.042 0.000 0.891 132 L HN 0.102 nan 8.230 nan 0.000 0.431 133 L N 0.129 121.323 121.223 -0.048 0.000 2.191 133 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 133 L C 1.856 178.697 176.870 -0.048 0.000 1.103 133 L CA 0.880 55.673 54.840 -0.080 0.000 0.769 133 L CB -0.551 41.460 42.059 -0.080 0.000 0.908 133 L HN 0.370 nan 8.230 nan 0.000 0.438 134 N N -0.557 118.130 118.700 -0.021 0.000 2.398 134 N HA -0.004 4.736 4.740 -0.000 0.000 0.188 134 N C 0.792 176.312 175.510 0.017 0.000 1.122 134 N CA 0.311 53.359 53.050 -0.002 0.000 0.866 134 N CB 0.213 38.698 38.487 -0.004 0.000 0.970 134 N HN 0.325 nan 8.380 nan 0.000 0.462 135 S N 0.240 115.952 115.700 0.020 0.000 2.738 135 S HA 0.217 4.687 4.470 -0.000 0.000 0.284 135 S C 0.909 175.578 174.600 0.116 0.000 1.146 135 S CA -0.647 57.578 58.200 0.042 0.000 0.997 135 S CB 1.338 64.546 63.200 0.014 0.000 1.081 135 S HN 0.283 nan 8.310 nan 0.000 0.553 136 E N -0.186 120.107 120.200 0.155 0.000 2.437 136 E HA 0.289 4.639 4.350 -0.000 0.000 0.189 136 E C -0.029 176.869 176.600 0.496 0.000 1.054 136 E CA -0.232 56.350 56.400 0.303 0.000 0.874 136 E CB -0.316 29.476 29.700 0.153 0.000 1.011 136 E HN 0.513 nan 8.360 nan 0.000 0.474 137 L N 0.594 122.020 121.223 0.338 0.000 2.331 137 L HA 0.803 5.143 4.340 -0.000 0.000 0.268 137 L C -0.225 176.763 176.870 0.198 0.000 1.015 137 L CA -1.237 53.836 54.840 0.389 0.000 0.807 137 L CB 1.720 43.894 42.059 0.191 0.000 1.293 137 L HN 0.076 nan 8.230 nan 0.000 0.451 138 A N 0.826 123.788 122.820 0.237 0.000 2.515 138 A HA 0.809 5.129 4.320 -0.000 0.000 0.298 138 A C -2.805 174.855 177.584 0.126 0.000 1.059 138 A CA -1.412 50.618 52.037 -0.012 0.000 0.698 138 A CB 1.847 20.664 19.000 -0.305 0.000 1.289 138 A HN 0.359 nan 8.150 nan 0.000 0.404 139 P HA 0.379 nan 4.420 nan 0.000 0.275 139 P C -0.369 176.831 177.300 -0.167 0.000 1.228 139 P CA 0.079 63.010 63.100 -0.282 0.000 0.786 139 P CB 1.275 32.822 31.700 -0.256 0.000 0.927 140 A N 3.278 125.975 122.820 -0.205 0.000 2.366 140 A HA 0.506 4.826 4.320 -0.000 0.000 0.322 140 A C 0.194 177.708 177.584 -0.117 0.000 1.397 140 A CA -0.492 51.486 52.037 -0.098 0.000 0.984 140 A CB -0.410 18.554 19.000 -0.060 0.000 1.149 140 A HN 0.439 nan 8.150 nan 0.000 0.540 141 V N 0.964 120.815 119.914 -0.105 0.000 2.604 141 V HA 0.766 4.886 4.120 -0.000 0.000 0.305 141 V C -2.794 173.197 176.094 -0.170 0.000 1.043 141 V CA -2.635 59.581 62.300 -0.140 0.000 0.888 141 V CB 1.846 33.621 31.823 -0.080 0.000 0.995 141 V HN 0.644 nan 8.190 nan 0.000 0.429 142 P HA 0.113 nan 4.420 nan 0.000 0.268 142 P C 0.804 178.022 177.300 -0.138 0.000 1.205 142 P CA 0.408 63.370 63.100 -0.230 0.000 0.771 142 P CB 1.356 32.846 31.700 -0.349 0.000 0.858 143 S N 2.727 118.380 115.700 -0.079 0.000 2.461 143 S HA 0.020 4.489 4.470 -0.000 0.000 0.228 143 S C 0.851 175.434 174.600 -0.029 0.000 1.005 143 S CA 0.112 58.287 58.200 -0.041 0.000 0.942 143 S CB -0.100 63.088 63.200 -0.020 0.000 0.776 143 S HN 0.417 nan 8.310 nan 0.000 0.514 144 R N -0.252 120.227 120.500 -0.035 0.000 2.720 144 R HA 0.632 4.972 4.340 -0.000 0.000 0.272 144 R C 0.793 177.088 176.300 -0.009 0.000 0.991 144 R CA -0.041 56.050 56.100 -0.016 0.000 1.010 144 R CB 1.519 31.812 30.300 -0.012 0.000 1.141 144 R HN 0.314 nan 8.270 nan 0.000 0.494 145 G N 0.168 108.973 108.800 0.008 0.000 2.705 145 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.193 145 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.193 145 G C 0.103 175.019 174.900 0.026 0.000 1.015 145 G CA -0.084 45.030 45.100 0.022 0.000 0.743 145 G HN 0.598 nan 8.290 nan 0.000 0.476 146 T N 0.819 115.387 114.554 0.023 0.000 2.907 146 T HA 0.523 4.873 4.350 -0.000 0.000 0.284 146 T C 1.482 176.199 174.700 0.028 0.000 1.004 146 T CA 0.495 62.608 62.100 0.022 0.000 1.063 146 T CB 1.616 70.495 68.868 0.018 0.000 0.992 146 T HN 1.154 nan 8.240 nan 0.000 0.483 147 V N 1.304 121.237 119.914 0.031 0.000 3.542 147 V HA 0.601 4.721 4.120 -0.000 0.000 0.296 147 V C 1.132 177.256 176.094 0.051 0.000 1.364 147 V CA 0.231 62.556 62.300 0.041 0.000 1.118 147 V CB -1.305 30.544 31.823 0.043 0.000 0.972 147 V HN 1.355 nan 8.190 nan 0.000 0.430 153 L N -0.357 120.841 121.223 -0.043 0.000 2.046 153 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 153 L C 2.351 179.179 176.870 -0.071 0.000 1.077 153 L CA 1.381 56.175 54.840 -0.077 0.000 0.747 153 L CB -0.637 41.354 42.059 -0.113 0.000 0.896 153 L HN 0.085 nan 8.230 nan 0.000 0.432 154 T N 0.533 115.069 114.554 -0.030 0.000 2.643 154 T HA -0.088 4.262 4.350 -0.000 0.000 0.264 154 T C -0.418 174.348 174.700 0.110 0.000 1.045 154 T CA 1.724 63.838 62.100 0.023 0.000 1.155 154 T CB -1.157 67.747 68.868 0.061 0.000 0.863 154 T HN 0.306 nan 8.240 nan 0.000 0.420 155 P HA 0.016 nan 4.420 nan 0.000 0.218 155 P C 1.566 178.893 177.300 0.045 0.000 1.149 155 P CA 0.976 64.119 63.100 0.072 0.000 0.817 155 P CB -0.228 31.480 31.700 0.013 0.000 0.785 156 L N -0.686 120.535 121.223 -0.002 0.000 2.156 156 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 156 L C 2.767 179.601 176.870 -0.060 0.000 1.095 156 L CA 1.273 56.094 54.840 -0.032 0.000 0.770 156 L CB -1.018 41.016 42.059 -0.042 0.000 0.914 156 L HN -0.058 nan 8.230 nan 0.000 0.439 157 A N -0.943 121.819 122.820 -0.097 0.000 1.930 157 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 157 A C 2.125 179.598 177.584 -0.186 0.000 1.175 157 A CA 1.220 53.148 52.037 -0.182 0.000 0.627 157 A CB -0.691 18.145 19.000 -0.273 0.000 0.815 157 A HN 0.395 nan 8.150 nan 0.000 0.443 158 H N -1.156 117.861 119.070 -0.090 0.000 2.387 158 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 158 H C 2.094 177.355 175.328 -0.112 0.000 1.090 158 H CA 1.755 57.750 56.048 -0.088 0.000 1.332 158 H CB -0.260 29.454 29.762 -0.080 0.000 1.386 158 H HN 0.594 nan 8.280 nan 0.000 0.516 159 M N 0.549 120.149 119.600 0.000 0.000 2.086 159 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 159 M C 2.151 178.405 176.300 -0.077 0.000 1.067 159 M CA 1.346 56.608 55.300 -0.064 0.000 1.116 159 M CB -0.148 32.420 32.600 -0.054 0.000 1.348 159 M HN -0.006 nan 8.290 nan 0.000 0.407 160 V N 1.357 121.229 119.914 -0.069 0.000 2.287 160 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 160 V C 2.452 178.511 176.094 -0.059 0.000 1.053 160 V CA 1.927 64.188 62.300 -0.064 0.000 1.027 160 V CB -0.779 30.993 31.823 -0.085 0.000 0.646 160 V HN 0.550 nan 8.190 nan 0.000 0.447 161 L N -0.890 120.289 121.223 -0.073 0.000 2.042 161 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 161 L C 2.665 179.504 176.870 -0.052 0.000 1.076 161 L CA 1.741 56.551 54.840 -0.049 0.000 0.749 161 L CB -0.790 41.239 42.059 -0.050 0.000 0.893 161 L HN 0.408 nan 8.230 nan 0.000 0.432 162 C N -0.105 119.120 119.300 -0.125 0.000 2.432 162 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 162 C C 2.669 177.587 174.990 -0.120 0.000 1.249 162 C CA 0.465 59.306 59.018 -0.295 0.000 1.725 162 C CB -0.897 26.496 27.740 -0.578 0.000 2.028 162 C HN 0.443 nan 8.230 nan 0.000 0.477 163 L N 0.339 121.548 121.223 -0.023 0.000 2.362 163 L HA -0.162 4.178 4.340 -0.000 0.000 0.219 163 L C 2.395 179.342 176.870 0.128 0.000 1.134 163 L CA 1.237 56.158 54.840 0.134 0.000 0.807 163 L CB -0.655 41.446 42.059 0.070 0.000 0.927 163 L HN 0.537 nan 8.230 nan 0.000 0.447 164 Q N -0.384 119.461 119.800 0.076 0.000 2.360 164 Q HA 0.125 4.465 4.340 -0.000 0.000 0.202 164 Q C 1.339 177.395 176.000 0.093 0.000 0.915 164 Q CA 0.499 56.342 55.803 0.067 0.000 0.943 164 Q CB 0.659 29.416 28.738 0.032 0.000 1.064 164 Q HN 0.545 nan 8.270 nan 0.000 0.511 165 G N 1.755 110.644 108.800 0.148 0.000 2.143 165 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.249 165 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.249 165 G C 0.536 175.505 174.900 0.116 0.000 0.981 165 G CA 0.074 45.279 45.100 0.176 0.000 0.665 165 G HN 0.316 nan 8.290 nan 0.000 0.528 166 R N 0.021 120.564 120.500 0.072 0.000 2.507 166 R HA 0.468 4.808 4.340 -0.000 0.000 0.298 166 R C 1.005 177.320 176.300 0.024 0.000 0.999 166 R CA 0.484 56.612 56.100 0.047 0.000 1.082 166 R CB 0.889 31.213 30.300 0.041 0.000 1.246 166 R HN 0.517 nan 8.270 nan 0.000 0.553 167 G N -0.319 108.482 108.800 0.001 0.000 2.692 167 G HA2 0.248 4.208 3.960 -0.000 0.000 0.291 167 G HA3 0.248 4.208 3.960 -0.000 0.000 0.291 167 G C -1.469 173.375 174.900 -0.093 0.000 1.423 167 G CA -0.642 44.429 45.100 -0.049 0.000 0.843 167 G HN -0.132 nan 8.290 nan 0.000 0.486 168 D N -0.523 119.829 120.400 -0.079 0.000 2.360 168 D HA 0.573 5.213 4.640 -0.000 0.000 0.242 168 D C -0.463 175.723 176.300 -0.190 0.000 1.184 168 D CA 0.526 54.512 54.000 -0.024 0.000 0.930 168 D CB 0.874 41.684 40.800 0.016 0.000 1.161 168 D HN 0.107 nan 8.370 nan 0.000 0.447 169 F N -0.633 119.343 119.950 0.043 0.000 2.618 169 F HA 0.532 5.059 4.527 -0.000 0.000 0.332 169 F C -0.175 175.672 175.800 0.079 0.000 1.061 169 F CA -0.906 57.128 58.000 0.057 0.000 0.974 169 F CB 1.215 40.250 39.000 0.057 0.000 1.310 169 F HN -0.075 nan 8.300 nan 0.000 0.491 170 L N 1.529 122.956 121.223 0.339 0.000 2.381 170 L HA 0.429 4.769 4.340 -0.000 0.000 0.268 170 L C -0.965 176.126 176.870 0.369 0.000 0.997 170 L CA -1.022 53.992 54.840 0.290 0.000 0.818 170 L CB 1.912 44.144 42.059 0.289 0.000 1.310 170 L HN 0.597 nan 8.230 nan 0.000 0.416 171 D N 1.585 122.099 120.400 0.191 0.000 2.437 171 D HA 0.143 4.783 4.640 -0.000 0.000 0.259 171 D C 0.834 176.969 176.300 -0.276 0.000 1.118 171 D CA -0.688 53.350 54.000 0.062 0.000 1.017 171 D CB 1.100 41.895 40.800 -0.008 0.000 1.120 171 D HN 0.437 nan 8.370 nan 0.000 0.541 172 R N -0.445 119.628 120.500 -0.711 0.000 2.139 172 R HA -0.153 4.187 4.340 -0.000 0.000 0.243 172 R C 0.500 176.449 176.300 -0.585 0.000 1.145 172 R CA 1.592 56.931 56.100 -1.269 0.000 0.976 172 R CB -0.082 29.579 30.300 -1.065 0.000 0.866 172 R HN 0.456 nan 8.270 nan 0.000 0.449 173 D N -1.382 118.833 120.400 -0.309 0.000 2.349 173 D HA 0.062 4.702 4.640 -0.000 0.000 0.224 173 D C 1.007 177.259 176.300 -0.079 0.000 1.029 173 D CA 1.053 54.957 54.000 -0.161 0.000 0.879 173 D CB 0.672 41.405 40.800 -0.111 0.000 0.906 173 D HN 0.553 nan 8.370 nan 0.000 0.528 174 G N 0.886 109.654 108.800 -0.053 0.000 2.176 174 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.253 174 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.253 174 G C 0.569 175.489 174.900 0.034 0.000 0.979 174 G CA 0.222 45.338 45.100 0.027 0.000 0.641 174 G HN 0.292 nan 8.290 nan 0.000 0.530 175 T N 2.902 117.465 114.554 0.015 0.000 2.888 175 T HA 0.423 4.773 4.350 -0.000 0.000 0.301 175 T C 0.792 175.528 174.700 0.059 0.000 1.001 175 T CA -0.014 62.101 62.100 0.026 0.000 1.147 175 T CB 0.773 69.646 68.868 0.009 0.000 0.931 175 T HN 0.297 nan 8.240 nan 0.000 0.541 176 R N 2.927 123.462 120.500 0.058 0.000 2.410 176 R HA 0.519 4.859 4.340 -0.000 0.000 0.288 176 R C -0.418 175.934 176.300 0.086 0.000 1.051 176 R CA -0.428 55.719 56.100 0.079 0.000 1.021 176 R CB 0.865 31.199 30.300 0.057 0.000 1.032 176 R HN 0.551 nan 8.270 nan 0.000 0.481 177 L N 2.031 123.330 121.223 0.128 0.000 2.370 177 L HA 0.286 4.626 4.340 -0.000 0.000 0.266 177 L C 0.105 177.072 176.870 0.162 0.000 1.002 177 L CA -1.237 53.679 54.840 0.127 0.000 0.818 177 L CB 2.034 44.173 42.059 0.134 0.000 1.325 177 L HN 0.628 nan 8.230 nan 0.000 0.418 178 D N 1.077 121.552 120.400 0.124 0.000 2.377 178 D HA 0.085 4.725 4.640 -0.000 0.000 0.245 178 D C 1.198 177.623 176.300 0.208 0.000 1.196 178 D CA -0.025 54.053 54.000 0.130 0.000 0.962 178 D CB 0.916 41.765 40.800 0.082 0.000 1.127 178 D HN 0.571 nan 8.370 nan 0.000 0.471 179 G N -0.194 108.725 108.800 0.200 0.000 2.491 179 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 179 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 179 G C 1.505 176.533 174.900 0.213 0.000 1.180 179 G CA 1.938 47.209 45.100 0.284 0.000 0.774 179 G HN 0.704 nan 8.290 nan 0.000 0.562 180 A N 0.528 123.418 122.820 0.116 0.000 1.902 180 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 180 A C 2.224 179.823 177.584 0.025 0.000 1.181 180 A CA 2.285 54.358 52.037 0.061 0.000 0.623 180 A CB -0.414 18.613 19.000 0.044 0.000 0.818 180 A HN 0.401 nan 8.150 nan 0.000 0.443 181 E N 0.218 120.439 120.200 0.035 0.000 2.150 181 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 181 E C 1.946 178.508 176.600 -0.064 0.000 0.985 181 E CA 1.403 57.803 56.400 0.000 0.000 0.814 181 E CB -0.828 28.886 29.700 0.023 0.000 0.752 181 E HN 0.394 nan 8.360 nan 0.000 0.466 182 G N 0.840 109.589 108.800 -0.085 0.000 2.421 182 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 182 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 182 G C 1.616 176.153 174.900 -0.605 0.000 1.171 182 G CA 0.902 45.724 45.100 -0.462 0.000 0.775 182 G HN 0.319 nan 8.290 nan 0.000 0.543 183 L N -0.183 120.808 121.223 -0.387 0.000 2.079 183 L HA -0.084 4.255 4.340 -0.000 0.000 0.210 183 L C 3.200 179.972 176.870 -0.164 0.000 1.081 183 L CA 1.118 55.810 54.840 -0.247 0.000 0.752 183 L CB -0.369 41.645 42.059 -0.075 0.000 0.896 183 L HN 0.181 nan 8.230 nan 0.000 0.433 184 R N -0.258 120.171 120.500 -0.118 0.000 2.062 184 R HA -0.155 4.185 4.340 -0.000 0.000 0.231 184 R C 2.420 178.668 176.300 -0.087 0.000 1.136 184 R CA 1.199 57.252 56.100 -0.077 0.000 0.948 184 R CB -0.361 29.911 30.300 -0.047 0.000 0.845 184 R HN 0.129 nan 8.270 nan 0.000 0.430 185 R N 0.792 121.229 120.500 -0.107 0.000 2.091 185 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 185 R C 1.891 178.134 176.300 -0.095 0.000 1.136 185 R CA 2.020 58.066 56.100 -0.089 0.000 0.959 185 R CB -0.874 29.375 30.300 -0.086 0.000 0.856 185 R HN 0.317 nan 8.270 nan 0.000 0.437 186 G N -0.779 107.927 108.800 -0.156 0.000 2.985 186 G HA2 0.003 3.963 3.960 -0.000 0.000 0.209 186 G HA3 0.003 3.963 3.960 -0.000 0.000 0.209 186 G C -0.430 174.416 174.900 -0.090 0.000 1.165 186 G CA -0.043 44.983 45.100 -0.123 0.000 0.776 186 G HN 0.371 nan 8.290 nan 0.000 0.541 187 R N -0.927 119.521 120.500 -0.087 0.000 3.205 187 R HA -0.135 4.205 4.340 -0.000 0.000 0.249 187 R C -0.703 175.563 176.300 -0.055 0.000 0.937 187 R CA 0.341 56.406 56.100 -0.058 0.000 0.641 187 R CB -2.220 28.059 30.300 -0.036 0.000 1.114 187 R HN 0.340 nan 8.270 nan 0.000 0.451 188 L N 0.683 121.861 121.223 -0.076 0.000 2.330 188 L HA 0.428 4.768 4.340 -0.000 0.000 0.271 188 L C 0.601 177.454 176.870 -0.029 0.000 1.013 188 L CA -1.141 53.667 54.840 -0.055 0.000 0.816 188 L CB 1.662 43.670 42.059 -0.085 0.000 1.287 188 L HN 0.014 nan 8.230 nan 0.000 0.435 189 Q N 2.431 122.229 119.800 -0.005 0.000 2.222 189 Q HA 0.415 4.755 4.340 -0.000 0.000 0.252 189 Q C -2.331 173.685 176.000 0.027 0.000 0.926 189 Q CA -1.949 53.858 55.803 0.008 0.000 0.899 189 Q CB 1.468 30.211 28.738 0.010 0.000 1.250 189 Q HN 0.304 nan 8.270 nan 0.000 0.441 190 P HA 0.030 nan 4.420 nan 0.000 0.271 190 P C -0.317 177.010 177.300 0.044 0.000 1.216 190 P CA -0.541 62.588 63.100 0.049 0.000 0.771 190 P CB 0.621 32.347 31.700 0.043 0.000 0.864 191 L N 3.076 124.329 121.223 0.050 0.000 2.462 191 L HA 0.195 4.535 4.340 -0.000 0.000 0.272 191 L C -0.094 176.796 176.870 0.033 0.000 1.166 191 L CA 0.641 55.504 54.840 0.038 0.000 0.880 191 L CB -0.495 41.584 42.059 0.033 0.000 1.142 191 L HN 0.291 nan 8.230 nan 0.000 0.473 192 D N 4.620 125.044 120.400 0.040 0.000 2.440 192 D HA 0.244 4.884 4.640 -0.000 0.000 0.239 192 D C -0.135 176.204 176.300 0.066 0.000 1.084 192 D CA -0.187 53.840 54.000 0.046 0.000 0.843 192 D CB 0.781 41.614 40.800 0.054 0.000 1.097 192 D HN 0.621 nan 8.370 nan 0.000 0.531 193 L N 3.178 124.427 121.223 0.044 0.000 2.783 193 L HA 0.109 4.449 4.340 -0.000 0.000 0.236 193 L C 1.895 178.796 176.870 0.052 0.000 1.225 193 L CA -0.136 54.736 54.840 0.054 0.000 1.026 193 L CB -0.189 41.880 42.059 0.017 0.000 1.314 193 L HN 0.394 nan 8.230 nan 0.000 0.489 194 S N -2.017 113.705 115.700 0.037 0.000 2.442 194 S HA -0.217 4.253 4.470 -0.000 0.000 0.236 194 S C 1.436 175.968 174.600 -0.113 0.000 1.007 194 S CA 0.973 59.139 58.200 -0.056 0.000 0.965 194 S CB -0.450 62.677 63.200 -0.122 0.000 0.773 194 S HN 0.546 nan 8.310 nan 0.000 0.504 195 H N 1.522 120.586 119.070 -0.011 0.000 2.547 195 H HA 0.365 4.921 4.556 -0.000 0.000 0.266 195 H C 0.562 175.882 175.328 -0.015 0.000 0.988 195 H CA 0.379 56.417 56.048 -0.016 0.000 1.147 195 H CB -0.125 29.624 29.762 -0.021 0.000 1.365 195 H HN 0.363 nan 8.280 nan 0.000 0.589 196 R N 0.874 121.421 120.500 0.080 0.000 3.532 196 R HA -0.131 4.209 4.340 -0.000 0.000 0.284 196 R C -0.755 175.591 176.300 0.076 0.000 1.140 196 R CA 0.830 56.966 56.100 0.060 0.000 0.768 196 R CB -1.813 28.512 30.300 0.042 0.000 1.252 196 R HN 0.539 nan 8.270 nan 0.000 0.454 197 D N -0.946 119.503 120.400 0.082 0.000 2.525 197 D HA 0.230 4.870 4.640 -0.000 0.000 0.229 197 D C 1.225 177.563 176.300 0.064 0.000 1.202 197 D CA 0.322 54.366 54.000 0.074 0.000 0.828 197 D CB 0.347 41.175 40.800 0.048 0.000 1.008 197 D HN 0.295 nan 8.370 nan 0.000 0.493 198 A N 0.399 123.252 122.820 0.055 0.000 1.972 198 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 198 A C 1.923 179.524 177.584 0.029 0.000 1.169 198 A CA 0.792 52.842 52.037 0.022 0.000 0.635 198 A CB -0.495 18.502 19.000 -0.005 0.000 0.810 198 A HN 0.287 nan 8.150 nan 0.000 0.446 199 L N -0.678 120.594 121.223 0.082 0.000 2.551 199 L HA -0.002 4.338 4.340 -0.000 0.000 0.228 199 L C 2.609 179.534 176.870 0.092 0.000 1.153 199 L CA 1.185 56.086 54.840 0.101 0.000 0.851 199 L CB -0.450 41.719 42.059 0.185 0.000 0.959 199 L HN 0.384 nan 8.230 nan 0.000 0.451 200 A N -1.221 121.651 122.820 0.086 0.000 2.123 200 A HA 0.067 4.387 4.320 -0.000 0.000 0.214 200 A C 2.105 179.709 177.584 0.034 0.000 1.152 200 A CA 0.923 53.004 52.037 0.074 0.000 0.728 200 A CB -0.210 18.833 19.000 0.071 0.000 0.814 200 A HN 0.391 nan 8.150 nan 0.000 0.464 201 L N -1.117 120.115 121.223 0.016 0.000 2.425 201 L HA 0.132 4.472 4.340 -0.000 0.000 0.215 201 L C 0.022 176.878 176.870 -0.023 0.000 1.065 201 L CA 0.236 55.071 54.840 -0.008 0.000 0.842 201 L CB 0.372 42.420 42.059 -0.018 0.000 1.033 201 L HN 0.042 nan 8.230 nan 0.000 0.474 202 V N 1.987 121.881 119.914 -0.033 0.000 2.218 202 V HA 0.381 4.501 4.120 -0.000 0.000 0.261 202 V C -0.473 175.603 176.094 -0.030 0.000 1.142 202 V CA -0.217 62.047 62.300 -0.061 0.000 0.965 202 V CB -0.178 31.571 31.823 -0.124 0.000 1.190 202 V HN 0.327 nan 8.190 nan 0.000 0.478 203 N N 1.935 120.630 118.700 -0.009 0.000 3.348 203 N HA 0.500 5.240 4.740 -0.000 0.000 0.233 203 N C -0.040 175.493 175.510 0.038 0.000 1.440 203 N CA 0.597 53.660 53.050 0.023 0.000 0.887 203 N CB 2.240 40.758 38.487 0.051 0.000 1.410 203 N HN 0.756 nan 8.380 nan 0.000 0.502 204 G N 0.047 108.900 108.800 0.089 0.000 2.645 204 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.246 204 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.246 204 G C 0.184 175.131 174.900 0.078 0.000 1.322 204 G CA 0.533 45.690 45.100 0.095 0.000 0.898 204 G HN 1.225 nan 8.290 nan 0.000 0.573 205 T N -3.166 111.419 114.554 0.051 0.000 3.269 205 T HA 0.576 4.926 4.350 -0.000 0.000 0.269 205 T C 1.767 176.473 174.700 0.011 0.000 0.993 205 T CA 0.937 63.060 62.100 0.037 0.000 0.909 205 T CB 0.470 69.356 68.868 0.031 0.000 1.115 205 T HN 0.831 nan 8.240 nan 0.000 0.543 206 S N 1.661 117.363 115.700 0.004 0.000 2.383 206 S HA -0.066 4.404 4.470 -0.000 0.000 0.229 206 S C 2.455 177.048 174.600 -0.013 0.000 1.030 206 S CA 1.254 59.448 58.200 -0.011 0.000 1.002 206 S CB -0.541 62.650 63.200 -0.017 0.000 0.829 206 S HN 0.830 nan 8.310 nan 0.000 0.467 207 A N 2.668 125.485 122.820 -0.006 0.000 1.854 207 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 207 A C 2.276 179.863 177.584 0.005 0.000 1.192 207 A CA 1.681 53.716 52.037 -0.004 0.000 0.611 207 A CB -0.784 18.216 19.000 -0.001 0.000 0.832 207 A HN 0.654 nan 8.150 nan 0.000 0.442 208 M N -1.502 118.105 119.600 0.012 0.000 2.159 208 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 208 M C 1.791 178.098 176.300 0.012 0.000 1.063 208 M CA 2.302 57.614 55.300 0.019 0.000 1.110 208 M CB -1.297 31.317 32.600 0.023 0.000 1.374 208 M HN 0.156 nan 8.290 nan 0.000 0.411 209 T N 1.151 115.703 114.554 -0.003 0.000 2.777 209 T HA 0.010 4.360 4.350 -0.000 0.000 0.266 209 T C 1.963 176.660 174.700 -0.006 0.000 1.040 209 T CA 1.635 63.724 62.100 -0.018 0.000 1.141 209 T CB -0.712 68.136 68.868 -0.033 0.000 0.868 209 T HN 0.720 nan 8.240 nan 0.000 0.444 210 G N 1.268 110.063 108.800 -0.008 0.000 2.418 210 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.217 210 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.217 210 G C 1.523 176.436 174.900 0.022 0.000 1.158 210 G CA 0.458 45.553 45.100 -0.008 0.000 0.771 210 G HN 0.482 nan 8.290 nan 0.000 0.545 211 I N 1.421 122.009 120.570 0.030 0.000 2.226 211 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 211 I C 3.264 179.434 176.117 0.089 0.000 1.100 211 I CA 1.042 62.375 61.300 0.055 0.000 1.374 211 I CB -0.182 37.848 38.000 0.050 0.000 1.057 211 I HN 0.235 nan 8.210 nan 0.000 0.413 212 A N 1.206 124.081 122.820 0.091 0.000 1.969 212 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 212 A C 2.235 179.927 177.584 0.180 0.000 1.169 212 A CA 1.721 53.852 52.037 0.156 0.000 0.635 212 A CB -0.780 18.280 19.000 0.101 0.000 0.810 212 A HN 0.515 nan 8.150 nan 0.000 0.445 213 L N -2.179 119.112 121.223 0.113 0.000 2.217 213 L HA 0.038 4.378 4.340 -0.000 0.000 0.211 213 L C 1.946 178.927 176.870 0.185 0.000 1.107 213 L CA 1.451 56.367 54.840 0.127 0.000 0.783 213 L CB -1.050 41.050 42.059 0.068 0.000 0.919 213 L HN -0.004 nan 8.230 nan 0.000 0.442 214 V N 0.863 120.885 119.914 0.180 0.000 2.453 214 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 214 V C 2.456 178.675 176.094 0.208 0.000 1.048 214 V CA 1.688 64.134 62.300 0.243 0.000 1.049 214 V CB -0.933 30.999 31.823 0.183 0.000 0.672 214 V HN 0.497 nan 8.190 nan 0.000 0.457 215 N N 0.916 119.713 118.700 0.161 0.000 2.104 215 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 215 N C 1.912 177.477 175.510 0.091 0.000 1.024 215 N CA 1.730 54.851 53.050 0.119 0.000 0.853 215 N CB -0.583 37.958 38.487 0.090 0.000 1.008 215 N HN 0.479 nan 8.380 nan 0.000 0.424 216 A N 0.290 123.191 122.820 0.135 0.000 1.908 216 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 216 A C 2.125 179.737 177.584 0.047 0.000 1.181 216 A CA 1.919 54.018 52.037 0.104 0.000 0.627 216 A CB -0.960 18.161 19.000 0.202 0.000 0.818 216 A HN 0.464 nan 8.150 nan 0.000 0.445 217 H N -0.235 118.813 119.070 -0.036 0.000 2.321 217 H HA 0.058 4.614 4.556 -0.000 0.000 0.300 217 H C 2.223 177.483 175.328 -0.113 0.000 1.087 217 H CA 1.947 57.893 56.048 -0.171 0.000 1.319 217 H CB -0.255 29.270 29.762 -0.396 0.000 1.379 217 H HN 0.395 nan 8.280 nan 0.000 0.501 218 A N -0.326 122.525 122.820 0.052 0.000 1.902 218 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 218 A C 2.705 180.281 177.584 -0.013 0.000 1.181 218 A CA 1.533 53.602 52.037 0.053 0.000 0.623 218 A CB -1.233 17.831 19.000 0.107 0.000 0.818 218 A HN 0.650 nan 8.150 nan 0.000 0.443 219 C N -1.335 117.975 119.300 0.017 0.000 2.422 219 C HA -0.026 4.434 4.460 -0.000 0.000 0.279 219 C C 2.777 177.752 174.990 -0.026 0.000 1.305 219 C CA 1.115 60.183 59.018 0.084 0.000 1.757 219 C CB -1.357 26.465 27.740 0.137 0.000 1.962 219 C HN 0.727 nan 8.230 nan 0.000 0.499 220 R N -0.081 120.306 120.500 -0.188 0.000 2.073 220 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 220 R C 2.256 178.352 176.300 -0.340 0.000 1.134 220 R CA 1.517 57.423 56.100 -0.323 0.000 0.952 220 R CB -0.408 29.602 30.300 -0.484 0.000 0.850 220 R HN 0.601 nan 8.270 nan 0.000 0.433 221 H N 0.513 119.450 119.070 -0.221 0.000 2.357 221 H HA -0.083 4.473 4.556 -0.000 0.000 0.301 221 H C 2.178 177.489 175.328 -0.027 0.000 1.082 221 H CA 1.588 57.554 56.048 -0.137 0.000 1.342 221 H CB -0.171 29.511 29.762 -0.134 0.000 1.389 221 H HN 0.248 nan 8.280 nan 0.000 0.511 222 L N -0.162 121.027 121.223 -0.057 0.000 2.131 222 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 222 L C 2.734 179.441 176.870 -0.271 0.000 1.092 222 L CA 0.978 55.602 54.840 -0.359 0.000 0.759 222 L CB -0.690 40.762 42.059 -1.011 0.000 0.903 222 L HN 0.291 nan 8.230 nan 0.000 0.435 223 G N -0.120 108.659 108.800 -0.036 0.000 2.408 223 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 223 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 223 G C 1.397 176.380 174.900 0.139 0.000 1.150 223 G CA 0.448 45.703 45.100 0.258 0.000 0.776 223 G HN 0.306 nan 8.290 nan 0.000 0.542 224 N N 0.129 118.806 118.700 -0.038 0.000 2.166 224 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 224 N C 1.835 177.255 175.510 -0.150 0.000 1.019 224 N CA 0.856 53.827 53.050 -0.131 0.000 0.856 224 N CB -0.328 38.023 38.487 -0.226 0.000 0.993 224 N HN 0.578 nan 8.380 nan 0.000 0.426 225 W N 1.577 122.830 121.300 -0.079 0.000 2.418 225 W HA 0.075 4.735 4.660 -0.000 0.000 0.292 225 W C 2.498 178.991 176.519 -0.043 0.000 1.213 225 W CA 1.089 58.384 57.345 -0.083 0.000 1.283 225 W CB -0.421 28.946 29.460 -0.155 0.000 1.119 225 W HN 0.026 nan 8.180 nan 0.000 0.542 226 A N -0.129 122.810 122.820 0.199 0.000 1.908 226 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 226 A C 2.000 179.669 177.584 0.141 0.000 1.181 226 A CA 2.181 54.350 52.037 0.219 0.000 0.627 226 A CB -1.108 18.116 19.000 0.374 0.000 0.818 226 A HN 0.098 nan 8.150 nan 0.000 0.445 227 V N -0.342 119.641 119.914 0.115 0.000 2.307 227 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 227 V C 3.073 179.148 176.094 -0.032 0.000 1.045 227 V CA 1.889 64.200 62.300 0.018 0.000 1.024 227 V CB -1.187 30.654 31.823 0.030 0.000 0.651 227 V HN 0.614 nan 8.190 nan 0.000 0.449 228 A N -0.312 122.481 122.820 -0.046 0.000 1.940 228 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 228 A C 2.180 179.778 177.584 0.023 0.000 1.176 228 A CA 1.803 53.801 52.037 -0.065 0.000 0.631 228 A CB -0.514 18.361 19.000 -0.209 0.000 0.814 228 A HN 0.521 nan 8.150 nan 0.000 0.446 229 L N -1.187 120.090 121.223 0.090 0.000 2.179 229 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 229 L C 2.651 179.579 176.870 0.097 0.000 1.096 229 L CA 1.432 56.343 54.840 0.117 0.000 0.779 229 L CB -0.798 41.355 42.059 0.155 0.000 0.922 229 L HN 0.306 nan 8.230 nan 0.000 0.443 230 T N 0.161 114.763 114.554 0.080 0.000 2.777 230 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 230 T C 2.056 176.854 174.700 0.163 0.000 1.040 230 T CA 1.328 63.485 62.100 0.095 0.000 1.141 230 T CB -0.113 68.760 68.868 0.009 0.000 0.868 230 T HN 0.428 nan 8.240 nan 0.000 0.444 231 A N 1.258 124.137 122.820 0.099 0.000 1.902 231 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 231 A C 2.201 179.895 177.584 0.183 0.000 1.181 231 A CA 1.184 53.339 52.037 0.196 0.000 0.623 231 A CB -0.795 18.256 19.000 0.085 0.000 0.818 231 A HN 0.398 nan 8.150 nan 0.000 0.443 232 L N -0.777 120.513 121.223 0.113 0.000 2.141 232 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 232 L C 2.186 179.108 176.870 0.088 0.000 1.094 232 L CA 1.694 56.587 54.840 0.087 0.000 0.763 232 L CB -0.638 41.463 42.059 0.071 0.000 0.908 232 L HN 0.380 nan 8.230 nan 0.000 0.437 233 L N -0.245 121.042 121.223 0.106 0.000 2.046 233 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 233 L C 2.480 179.407 176.870 0.094 0.000 1.077 233 L CA 2.021 56.915 54.840 0.091 0.000 0.747 233 L CB -0.963 41.160 42.059 0.107 0.000 0.896 233 L HN 0.252 nan 8.230 nan 0.000 0.432 234 A N -0.836 122.073 122.820 0.149 0.000 1.933 234 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 234 A C 2.129 179.734 177.584 0.035 0.000 1.175 234 A CA 1.756 53.846 52.037 0.090 0.000 0.628 234 A CB -0.595 18.484 19.000 0.131 0.000 0.814 234 A HN 0.631 nan 8.150 nan 0.000 0.444 235 E N -1.124 119.110 120.200 0.058 0.000 2.347 235 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 235 E C 1.570 178.181 176.600 0.018 0.000 1.008 235 E CA 0.885 57.303 56.400 0.030 0.000 0.852 235 E CB -0.228 29.497 29.700 0.041 0.000 0.783 235 E HN 0.687 nan 8.360 nan 0.000 0.505 236 C N -0.057 119.256 119.300 0.023 0.000 2.735 236 C HA 0.178 4.638 4.460 -0.000 0.000 0.271 236 C C 1.758 176.750 174.990 0.003 0.000 1.281 236 C CA -0.038 58.987 59.018 0.011 0.000 1.719 236 C CB -0.141 27.606 27.740 0.012 0.000 2.024 236 C HN 0.321 nan 8.230 nan 0.000 0.566 237 L N -0.161 121.064 121.223 0.003 0.000 3.014 237 L HA 0.287 4.627 4.340 -0.000 0.000 0.263 237 L C 0.348 177.206 176.870 -0.019 0.000 1.207 237 L CA -0.055 54.781 54.840 -0.006 0.000 1.017 237 L CB -0.265 41.795 42.059 0.002 0.000 1.360 237 L HN 0.225 nan 8.230 nan 0.000 0.560 238 R N 0.893 121.377 120.500 -0.026 0.000 3.333 238 R HA -0.149 4.191 4.340 -0.000 0.000 0.256 238 R C 0.668 176.925 176.300 -0.072 0.000 1.010 238 R CA 0.412 56.485 56.100 -0.044 0.000 0.680 238 R CB -1.824 28.456 30.300 -0.033 0.000 1.102 238 R HN 0.499 nan 8.270 nan 0.000 0.440 239 G N 0.608 109.352 108.800 -0.093 0.000 2.544 239 G HA2 0.204 4.164 3.960 -0.000 0.000 0.242 239 G HA3 0.204 4.164 3.960 -0.000 0.000 0.242 239 G C 0.003 174.747 174.900 -0.260 0.000 1.247 239 G CA -0.582 44.419 45.100 -0.165 0.000 0.840 239 G HN 0.248 nan 8.290 nan 0.000 0.578 240 R N 0.487 120.803 120.500 -0.307 0.000 2.202 240 R HA 0.233 4.573 4.340 -0.000 0.000 0.334 240 R C 1.528 177.503 176.300 -0.541 0.000 1.036 240 R CA 0.178 56.087 56.100 -0.317 0.000 0.878 240 R CB 0.896 31.075 30.300 -0.201 0.000 1.067 240 R HN 0.702 nan 8.270 nan 0.000 0.457 241 T N -1.203 113.077 114.554 -0.456 0.000 3.085 241 T HA -0.130 4.220 4.350 -0.000 0.000 0.263 241 T C 1.419 175.960 174.700 -0.266 0.000 1.127 241 T CA 0.861 62.675 62.100 -0.477 0.000 1.103 241 T CB -0.035 68.707 68.868 -0.210 0.000 0.921 241 T HN 0.738 nan 8.240 nan 0.000 0.510 242 E N 1.835 121.920 120.200 -0.191 0.000 2.204 242 E HA -0.027 4.323 4.350 -0.000 0.000 0.195 242 E C 2.222 178.790 176.600 -0.054 0.000 0.990 242 E CA 0.918 57.269 56.400 -0.082 0.000 0.821 242 E CB -0.567 29.102 29.700 -0.052 0.000 0.750 242 E HN 0.603 nan 8.360 nan 0.000 0.477 243 A N 0.762 123.501 122.820 -0.136 0.000 2.121 243 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 243 A C 1.002 178.718 177.584 0.219 0.000 1.154 243 A CA 0.693 52.720 52.037 -0.017 0.000 0.679 243 A CB -0.609 18.346 19.000 -0.074 0.000 0.795 243 A HN 0.498 nan 8.150 nan 0.000 0.458 244 W N -0.312 120.990 121.300 0.003 0.000 3.239 244 W HA 0.598 5.258 4.660 -0.000 0.000 0.368 244 W C 0.834 177.357 176.519 0.006 0.000 1.154 244 W CA -1.082 56.266 57.345 0.005 0.000 1.860 244 W CB -1.331 28.134 29.460 0.007 0.000 1.094 244 W HN 0.342 nan 8.180 nan 0.000 0.643 245 A N 0.877 123.807 122.820 0.184 0.000 2.498 245 A HA 0.417 4.737 4.320 -0.000 0.000 0.239 245 A C 1.694 179.334 177.584 0.093 0.000 1.068 245 A CA 0.719 52.822 52.037 0.111 0.000 0.766 245 A CB 0.558 19.597 19.000 0.064 0.000 1.003 245 A HN 0.257 nan 8.150 nan 0.000 0.497 246 A N 2.492 125.355 122.820 0.072 0.000 1.972 246 A HA 0.117 4.437 4.320 -0.000 0.000 0.219 246 A C 2.353 179.961 177.584 0.040 0.000 1.169 246 A CA 2.234 54.303 52.037 0.053 0.000 0.635 246 A CB -0.927 18.098 19.000 0.041 0.000 0.810 246 A HN 1.754 nan 8.150 nan 0.000 0.446 247 A N -0.218 122.624 122.820 0.037 0.000 1.940 247 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 247 A C 2.132 179.731 177.584 0.025 0.000 1.176 247 A CA 1.546 53.599 52.037 0.026 0.000 0.631 247 A CB -0.546 18.468 19.000 0.023 0.000 0.814 247 A HN 0.497 nan 8.150 nan 0.000 0.446 248 L N -0.595 120.649 121.223 0.036 0.000 2.093 248 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 248 L C 2.811 179.699 176.870 0.030 0.000 1.085 248 L CA 1.312 56.173 54.840 0.035 0.000 0.755 248 L CB -0.374 41.715 42.059 0.051 0.000 0.904 248 L HN 0.337 nan 8.230 nan 0.000 0.435 249 S N -0.306 115.417 115.700 0.037 0.000 2.368 249 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 249 S C 1.488 176.094 174.600 0.011 0.000 1.030 249 S CA 1.293 59.512 58.200 0.031 0.000 0.999 249 S CB -0.273 62.949 63.200 0.037 0.000 0.844 249 S HN 0.440 nan 8.310 nan 0.000 0.459 250 D N 1.489 121.894 120.400 0.009 0.000 2.178 250 D HA -0.021 4.619 4.640 -0.000 0.000 0.201 250 D C 1.733 178.024 176.300 -0.015 0.000 0.980 250 D CA 0.678 54.676 54.000 -0.003 0.000 0.842 250 D CB -0.280 40.521 40.800 0.002 0.000 0.948 250 D HN 0.329 nan 8.370 nan 0.000 0.472 251 L N -0.543 120.674 121.223 -0.010 0.000 2.217 251 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 251 L C 1.586 178.434 176.870 -0.036 0.000 1.107 251 L CA 0.562 55.391 54.840 -0.018 0.000 0.783 251 L CB 0.146 42.201 42.059 -0.007 0.000 0.919 251 L HN -0.172 nan 8.230 nan 0.000 0.442 252 R N 0.765 121.241 120.500 -0.039 0.000 2.644 252 R HA 0.191 4.531 4.340 -0.000 0.000 0.271 252 R C -2.210 174.022 176.300 -0.113 0.000 1.687 252 R CA -1.392 54.661 56.100 -0.079 0.000 1.655 252 R CB 0.885 31.179 30.300 -0.009 0.000 1.285 252 R HN -0.140 nan 8.270 nan 0.000 0.643 253 P HA -0.078 nan 4.420 nan 0.000 0.297 253 P C -0.677 176.548 177.300 -0.126 0.000 1.544 253 P CA 0.225 63.257 63.100 -0.113 0.000 0.798 253 P CB -0.348 31.299 31.700 -0.088 0.000 1.757 254 H N 0.887 119.958 119.070 0.002 0.000 2.767 254 H HA 0.093 4.649 4.556 -0.000 0.000 0.316 254 H C -1.311 174.029 175.328 0.020 0.000 1.059 254 H CA -1.511 54.541 56.048 0.006 0.000 1.461 254 H CB 0.532 30.292 29.762 -0.003 0.000 1.475 254 H HN 0.091 nan 8.280 nan 0.000 0.531 255 P HA -0.162 nan 4.420 nan 0.000 0.215 255 P C 1.650 179.024 177.300 0.123 0.000 1.157 255 P CA 1.714 64.875 63.100 0.103 0.000 0.874 255 P CB 0.111 31.865 31.700 0.090 0.000 0.790 256 G N -0.485 108.406 108.800 0.151 0.000 2.422 256 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 256 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 256 G C 1.667 176.667 174.900 0.168 0.000 1.146 256 G CA 0.693 45.914 45.100 0.201 0.000 0.769 256 G HN 0.331 nan 8.290 nan 0.000 0.547 257 Q N 0.073 119.938 119.800 0.108 0.000 2.083 257 Q HA -0.030 4.310 4.340 -0.000 0.000 0.198 257 Q C 2.455 178.491 176.000 0.061 0.000 0.969 257 Q CA 1.408 57.245 55.803 0.058 0.000 0.838 257 Q CB -0.181 28.605 28.738 0.079 0.000 0.900 257 Q HN 0.508 nan 8.270 nan 0.000 0.436 258 K N 0.205 120.650 120.400 0.075 0.000 2.057 258 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 258 K C 1.636 178.268 176.600 0.054 0.000 1.049 258 K CA 1.874 58.194 56.287 0.055 0.000 0.931 258 K CB -0.150 32.379 32.500 0.048 0.000 0.714 258 K HN 0.184 nan 8.250 nan 0.000 0.440 259 D N -0.100 120.347 120.400 0.078 0.000 2.097 259 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 259 D C 1.722 178.079 176.300 0.094 0.000 0.984 259 D CA 1.521 55.566 54.000 0.074 0.000 0.826 259 D CB -0.066 40.783 40.800 0.082 0.000 0.973 259 D HN 0.327 nan 8.370 nan 0.000 0.460 260 A N 0.540 123.459 122.820 0.164 0.000 1.877 260 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 260 A C 2.387 179.934 177.584 -0.062 0.000 1.186 260 A CA 2.375 54.487 52.037 0.124 0.000 0.620 260 A CB -1.160 17.842 19.000 0.004 0.000 0.822 260 A HN 0.329 nan 8.150 nan 0.000 0.443 261 A N -0.206 122.576 122.820 -0.063 0.000 1.902 261 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 261 A C 2.521 180.084 177.584 -0.036 0.000 1.181 261 A CA 2.169 54.156 52.037 -0.085 0.000 0.623 261 A CB -1.053 17.955 19.000 0.012 0.000 0.818 261 A HN 1.085 nan 8.150 nan 0.000 0.443 262 A N -0.231 122.589 122.820 -0.001 0.000 1.902 262 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 262 A C 2.237 179.814 177.584 -0.011 0.000 1.181 262 A CA 1.637 53.680 52.037 0.010 0.000 0.623 262 A CB -0.443 18.564 19.000 0.012 0.000 0.818 262 A HN 0.547 nan 8.150 nan 0.000 0.443 263 R N -0.634 119.848 120.500 -0.031 0.000 2.092 263 R HA 0.019 4.358 4.340 -0.000 0.000 0.231 263 R C 2.026 178.276 176.300 -0.084 0.000 1.119 263 R CA 1.289 57.359 56.100 -0.050 0.000 0.970 263 R CB -0.443 29.834 30.300 -0.039 0.000 0.864 263 R HN 0.506 nan 8.270 nan 0.000 0.440 264 L N 0.147 121.267 121.223 -0.171 0.000 2.056 264 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 264 L C 2.527 179.382 176.870 -0.025 0.000 1.078 264 L CA 1.380 56.035 54.840 -0.308 0.000 0.749 264 L CB -0.325 41.180 42.059 -0.923 0.000 0.901 264 L HN 0.149 nan 8.230 nan 0.000 0.433 265 R N -0.113 120.431 120.500 0.073 0.000 2.081 265 R HA -0.149 4.190 4.340 -0.000 0.000 0.235 265 R C 2.393 178.751 176.300 0.097 0.000 1.131 265 R CA 1.358 57.560 56.100 0.170 0.000 0.960 265 R CB -0.525 29.857 30.300 0.137 0.000 0.856 265 R HN 0.358 nan 8.270 nan 0.000 0.436 266 A N 1.318 124.162 122.820 0.041 0.000 1.933 266 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 266 A C 2.042 179.637 177.584 0.018 0.000 1.175 266 A CA 1.050 53.099 52.037 0.020 0.000 0.628 266 A CB -0.246 18.751 19.000 -0.005 0.000 0.814 266 A HN 0.100 nan 8.150 nan 0.000 0.444 267 R N -0.163 120.344 120.500 0.012 0.000 2.096 267 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 267 R C 1.915 178.245 176.300 0.050 0.000 1.127 267 R CA 1.754 57.860 56.100 0.011 0.000 0.968 267 R CB -1.321 28.975 30.300 -0.007 0.000 0.861 267 R HN 0.668 nan 8.270 nan 0.000 0.440 268 V N -0.884 119.091 119.914 0.101 0.000 3.633 268 V HA 0.113 4.233 4.120 -0.000 0.000 0.283 268 V C 0.305 176.439 176.094 0.067 0.000 1.305 268 V CA -0.595 61.769 62.300 0.107 0.000 1.153 268 V CB -0.433 31.498 31.823 0.180 0.000 0.950 268 V HN -0.113 nan 8.190 nan 0.000 0.432 269 D N 1.715 122.147 120.400 0.053 0.000 2.493 269 D HA 0.391 5.031 4.640 -0.000 0.000 0.240 269 D C 1.458 177.771 176.300 0.021 0.000 1.142 269 D CA 1.852 55.873 54.000 0.034 0.000 0.872 269 D CB 0.677 41.493 40.800 0.026 0.000 1.173 269 D HN 0.578 nan 8.370 nan 0.000 0.467 270 G N 2.373 111.181 108.800 0.014 0.000 2.176 270 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.253 270 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.253 270 G C 0.460 175.363 174.900 0.006 0.000 0.979 270 G CA 0.454 45.559 45.100 0.008 0.000 0.641 270 G HN 0.785 nan 8.290 nan 0.000 0.530 271 S N 0.017 115.722 115.700 0.008 0.000 2.565 271 S HA 0.688 5.158 4.470 -0.000 0.000 0.274 271 S C 1.207 175.800 174.600 -0.012 0.000 1.309 271 S CA 0.773 58.975 58.200 0.004 0.000 1.043 271 S CB 1.369 64.578 63.200 0.015 0.000 0.939 271 S HN 1.590 nan 8.310 nan 0.000 0.504 272 A N 5.111 127.924 122.820 -0.013 0.000 2.431 272 A HA 0.335 4.655 4.320 -0.000 0.000 0.239 272 A C 1.677 179.245 177.584 -0.027 0.000 1.230 272 A CA -0.332 51.691 52.037 -0.023 0.000 0.928 272 A CB 0.091 19.082 19.000 -0.014 0.000 1.006 272 A HN 0.725 nan 8.150 nan 0.000 0.520 273 R N -0.060 120.428 120.500 -0.021 0.000 2.312 273 R HA 0.113 4.453 4.340 -0.000 0.000 0.205 273 R C 0.610 176.887 176.300 -0.038 0.000 0.904 273 R CA 0.786 56.873 56.100 -0.021 0.000 1.052 273 R CB -0.263 30.033 30.300 -0.006 0.000 1.014 273 R HN 0.489 nan 8.270 nan 0.000 0.503 274 V N -1.616 118.266 119.914 -0.054 0.000 2.834 274 V HA 0.481 4.601 4.120 -0.000 0.000 0.313 274 V C 0.451 176.470 176.094 -0.125 0.000 1.060 274 V CA -1.000 61.245 62.300 -0.091 0.000 0.989 274 V CB 2.159 33.923 31.823 -0.099 0.000 1.041 274 V HN -0.271 nan 8.190 nan 0.000 0.459 275 V N 4.138 123.962 119.914 -0.150 0.000 2.406 275 V HA 0.439 4.559 4.120 -0.000 0.000 0.272 275 V C 1.053 177.021 176.094 -0.209 0.000 1.043 275 V CA -0.205 61.991 62.300 -0.173 0.000 0.915 275 V CB 0.669 32.427 31.823 -0.108 0.000 0.988 275 V HN 0.944 nan 8.190 nan 0.000 0.466 276 R N 1.612 121.938 120.500 -0.291 0.000 2.365 276 R HA 0.216 4.556 4.340 -0.000 0.000 0.223 276 R C 0.096 176.302 176.300 -0.158 0.000 0.899 276 R CA -0.187 55.782 56.100 -0.218 0.000 1.059 276 R CB 0.219 30.404 30.300 -0.191 0.000 1.086 276 R HN 0.755 nan 8.270 nan 0.000 0.522 277 H N 0.161 119.205 119.070 -0.044 0.000 2.897 277 H HA 0.066 4.622 4.556 -0.000 0.000 0.347 277 H C -0.228 175.078 175.328 -0.038 0.000 1.068 277 H CA -0.363 55.665 56.048 -0.034 0.000 1.426 277 H CB 1.073 30.816 29.762 -0.030 0.000 1.410 277 H HN -0.187 nan 8.280 nan 0.000 0.597 278 V N 5.817 125.795 119.914 0.107 0.000 2.385 278 V HA -0.039 4.081 4.120 -0.000 0.000 0.269 278 V C 1.682 177.798 176.094 0.036 0.000 1.043 278 V CA -0.012 62.314 62.300 0.044 0.000 0.906 278 V CB 0.234 32.075 31.823 0.029 0.000 0.995 278 V HN 0.747 nan 8.190 nan 0.000 0.467 279 I N 3.246 123.829 120.570 0.021 0.000 2.335 279 I HA -0.132 4.038 4.170 -0.000 0.000 0.251 279 I C 2.088 178.204 176.117 -0.002 0.000 1.129 279 I CA 1.978 63.283 61.300 0.008 0.000 1.402 279 I CB -0.263 37.739 38.000 0.003 0.000 1.069 279 I HN 0.557 nan 8.210 nan 0.000 0.424 280 A N 0.898 123.719 122.820 0.001 0.000 2.216 280 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 280 A C 2.126 179.707 177.584 -0.005 0.000 1.160 280 A CA 1.070 53.106 52.037 -0.002 0.000 0.725 280 A CB -0.538 18.463 19.000 0.001 0.000 0.784 280 A HN 0.524 nan 8.150 nan 0.000 0.472 281 E N 0.040 120.237 120.200 -0.006 0.000 2.208 281 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 281 E C 1.146 177.733 176.600 -0.023 0.000 0.988 281 E CA 0.198 56.592 56.400 -0.011 0.000 0.828 281 E CB -0.197 29.498 29.700 -0.009 0.000 0.763 281 E HN 0.631 nan 8.360 nan 0.000 0.478 282 R N 1.716 122.199 120.500 -0.029 0.000 2.442 282 R HA 0.066 4.406 4.340 -0.000 0.000 0.291 282 R C -0.341 175.944 176.300 -0.025 0.000 1.069 282 R CA 0.053 56.131 56.100 -0.036 0.000 1.022 282 R CB 0.420 30.695 30.300 -0.042 0.000 0.976 282 R HN -0.122 nan 8.270 nan 0.000 0.443 283 R N 5.233 125.718 120.500 -0.025 0.000 2.294 283 R HA 0.296 4.636 4.340 -0.000 0.000 0.319 283 R C -0.500 175.789 176.300 -0.018 0.000 0.984 283 R CA -0.641 55.448 56.100 -0.018 0.000 0.861 283 R CB 1.236 31.526 30.300 -0.016 0.000 1.104 283 R HN 0.476 nan 8.270 nan 0.000 0.451 284 L N 2.807 124.021 121.223 -0.015 0.000 2.350 284 L HA 0.314 4.654 4.340 -0.000 0.000 0.275 284 L C 0.205 177.068 176.870 -0.012 0.000 1.099 284 L CA -0.373 54.458 54.840 -0.014 0.000 0.808 284 L CB 0.816 42.868 42.059 -0.012 0.000 1.149 284 L HN 0.440 nan 8.230 nan 0.000 0.442 285 D N 0.673 121.066 120.400 -0.012 0.000 2.340 285 D HA 0.311 4.951 4.640 -0.000 0.000 0.243 285 D C 0.646 176.941 176.300 -0.009 0.000 0.988 285 D CA -0.366 53.628 54.000 -0.010 0.000 0.959 285 D CB 2.093 42.886 40.800 -0.011 0.000 1.226 285 D HN 0.562 nan 8.370 nan 0.000 0.509 286 A N 1.065 123.881 122.820 -0.007 0.000 1.917 286 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 286 A C 1.942 179.522 177.584 -0.007 0.000 1.182 286 A CA 2.307 54.340 52.037 -0.006 0.000 0.633 286 A CB -1.056 17.940 19.000 -0.006 0.000 0.819 286 A HN 0.649 nan 8.150 nan 0.000 0.448 287 G N -0.832 107.964 108.800 -0.007 0.000 2.498 287 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 287 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 287 G C 0.987 175.882 174.900 -0.008 0.000 1.119 287 G CA 1.065 46.161 45.100 -0.007 0.000 0.766 287 G HN 0.524 nan 8.290 nan 0.000 0.552 288 D N 0.392 120.786 120.400 -0.009 0.000 2.249 288 D HA -0.008 4.632 4.640 -0.000 0.000 0.205 288 D C 1.163 177.458 176.300 -0.009 0.000 0.962 288 D CA 0.030 54.024 54.000 -0.010 0.000 0.860 288 D CB 0.250 41.042 40.800 -0.012 0.000 0.955 288 D HN 0.133 nan 8.370 nan 0.000 0.505 289 I N 1.539 122.105 120.570 -0.007 0.000 2.742 289 I HA 0.221 4.391 4.170 -0.000 0.000 0.287 289 I C 1.381 177.495 176.117 -0.006 0.000 1.186 289 I CA 0.934 62.230 61.300 -0.006 0.000 1.417 289 I CB -0.303 37.693 38.000 -0.005 0.000 1.377 289 I HN 0.004 nan 8.210 nan 0.000 0.556 290 G N 5.525 114.322 108.800 -0.006 0.000 2.344 290 G HA2 0.149 4.109 3.960 -0.000 0.000 0.282 290 G HA3 0.149 4.109 3.960 -0.000 0.000 0.282 290 G C -1.113 173.784 174.900 -0.006 0.000 1.281 290 G CA -0.697 44.400 45.100 -0.005 0.000 0.877 290 G HN 0.380 nan 8.290 nan 0.000 0.494 291 T N 2.054 116.605 114.554 -0.006 0.000 2.744 291 T HA 0.533 4.883 4.350 -0.000 0.000 0.291 291 T C -0.049 174.647 174.700 -0.006 0.000 0.957 291 T CA -0.164 61.933 62.100 -0.006 0.000 1.002 291 T CB 1.174 70.038 68.868 -0.006 0.000 0.919 291 T HN 0.429 nan 8.240 nan 0.000 0.468 292 E N 3.268 123.464 120.200 -0.007 0.000 2.283 292 E HA 0.190 4.540 4.350 -0.000 0.000 0.267 292 E C -1.292 175.304 176.600 -0.007 0.000 1.045 292 E CA -1.993 54.403 56.400 -0.007 0.000 0.884 292 E CB 0.658 30.353 29.700 -0.007 0.000 1.106 292 E HN 0.333 nan 8.360 nan 0.000 0.408 293 P HA -0.131 nan 4.420 nan 0.000 0.215 293 P C -0.552 176.743 177.300 -0.008 0.000 1.153 293 P CA 1.400 64.496 63.100 -0.007 0.000 0.853 293 P CB 0.316 32.012 31.700 -0.006 0.000 0.788 294 E N -1.436 118.759 120.200 -0.008 0.000 2.343 294 E HA 0.602 4.952 4.350 -0.000 0.000 0.270 294 E C -0.984 175.612 176.600 -0.008 0.000 0.895 294 E CA -1.154 55.241 56.400 -0.009 0.000 0.767 294 E CB 2.104 31.798 29.700 -0.009 0.000 1.248 294 E HN -0.101 nan 8.360 nan 0.000 0.440 295 A N 0.708 123.523 122.820 -0.008 0.000 2.366 295 A HA 0.429 4.749 4.320 -0.000 0.000 0.249 295 A C 1.182 178.764 177.584 -0.004 0.000 1.084 295 A CA 0.315 52.349 52.037 -0.005 0.000 0.794 295 A CB 0.168 19.166 19.000 -0.003 0.000 1.034 295 A HN 0.796 nan 8.150 nan 0.000 0.491 296 G N -0.346 108.453 108.800 -0.001 0.000 2.776 296 G HA2 0.237 4.197 3.960 -0.000 0.000 0.209 296 G HA3 0.237 4.197 3.960 -0.000 0.000 0.209 296 G C 0.481 175.379 174.900 -0.004 0.000 1.145 296 G CA 0.421 45.520 45.100 -0.002 0.000 0.791 296 G HN 0.724 nan 8.290 nan 0.000 0.530 297 Q N 0.020 119.822 119.800 0.003 0.000 2.423 297 Q HA 0.306 4.646 4.340 -0.000 0.000 0.278 297 Q C -1.425 174.583 176.000 0.014 0.000 1.097 297 Q CA -1.018 54.791 55.803 0.009 0.000 0.809 297 Q CB 2.074 30.833 28.738 0.035 0.000 1.391 297 Q HN 0.033 nan 8.270 nan 0.000 0.428 298 D N 0.659 121.067 120.400 0.013 0.000 2.383 298 D HA 0.375 5.015 4.640 -0.000 0.000 0.248 298 D C -0.203 176.146 176.300 0.083 0.000 1.170 298 D CA -0.101 53.913 54.000 0.025 0.000 0.977 298 D CB 0.878 41.680 40.800 0.003 0.000 1.120 298 D HN 0.621 nan 8.370 nan 0.000 0.481 299 A N 0.453 123.313 122.820 0.066 0.000 2.386 299 A HA 0.016 4.336 4.320 -0.000 0.000 0.246 299 A C 0.656 178.374 177.584 0.223 0.000 1.089 299 A CA -0.114 51.965 52.037 0.070 0.000 0.790 299 A CB -0.073 18.933 19.000 0.010 0.000 1.042 299 A HN 0.537 nan 8.150 nan 0.000 0.497 300 Y N 0.980 121.296 120.300 0.028 0.000 2.256 300 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 300 Y C 2.919 178.852 175.900 0.055 0.000 1.155 300 Y CA 1.608 59.731 58.100 0.038 0.000 1.203 300 Y CB -1.376 37.097 38.460 0.023 0.000 0.980 300 Y HN 0.754 nan 8.280 nan 0.000 0.530 301 S N -0.990 114.836 115.700 0.209 0.000 2.493 301 S HA -0.112 4.358 4.470 -0.000 0.000 0.243 301 S C 1.786 176.489 174.600 0.171 0.000 0.991 301 S CA 1.142 59.431 58.200 0.149 0.000 0.957 301 S CB -0.562 62.700 63.200 0.105 0.000 0.756 301 S HN 0.464 nan 8.310 nan 0.000 0.521 302 L N -0.370 120.975 121.223 0.203 0.000 2.588 302 L HA 0.361 4.701 4.340 -0.000 0.000 0.194 302 L C 2.731 179.819 176.870 0.363 0.000 1.070 302 L CA 0.208 55.219 54.840 0.285 0.000 0.852 302 L CB -0.222 41.947 42.059 0.182 0.000 1.199 302 L HN 0.161 nan 8.230 nan 0.000 0.486 303 R N -0.029 120.606 120.500 0.224 0.000 2.096 303 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 303 R C 1.480 177.889 176.300 0.182 0.000 1.127 303 R CA 1.766 57.976 56.100 0.183 0.000 0.968 303 R CB -0.182 30.190 30.300 0.120 0.000 0.861 303 R HN 0.391 nan 8.270 nan 0.000 0.440 304 C N 0.314 119.680 119.300 0.109 0.000 2.688 304 C HA 0.437 4.897 4.460 -0.000 0.000 0.297 304 C C 2.082 177.082 174.990 0.016 0.000 1.308 304 C CA -0.383 58.633 59.018 -0.003 0.000 1.726 304 C CB -0.391 27.248 27.740 -0.168 0.000 1.982 304 C HN 0.618 nan 8.230 nan 0.000 0.604 305 A N 2.631 125.504 122.820 0.089 0.000 1.908 305 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 305 A C 0.007 177.504 177.584 -0.145 0.000 1.181 305 A CA 1.763 53.785 52.037 -0.025 0.000 0.627 305 A CB -1.512 17.472 19.000 -0.026 0.000 0.818 305 A HN 0.415 nan 8.150 nan 0.000 0.445 306 P HA -0.147 nan 4.420 nan 0.000 0.215 306 P C 1.261 178.485 177.300 -0.127 0.000 1.153 306 P CA 1.465 64.472 63.100 -0.155 0.000 0.853 306 P CB -0.041 31.616 31.700 -0.072 0.000 0.788 307 Q N -1.003 118.743 119.800 -0.090 0.000 2.083 307 Q HA -0.074 4.266 4.340 -0.000 0.000 0.198 307 Q C 2.115 178.027 176.000 -0.147 0.000 0.969 307 Q CA 1.223 56.968 55.803 -0.097 0.000 0.838 307 Q CB -1.316 27.373 28.738 -0.080 0.000 0.900 307 Q HN 0.098 nan 8.270 nan 0.000 0.436 308 V N 0.234 120.057 119.914 -0.151 0.000 2.283 308 V HA -0.185 3.935 4.120 -0.000 0.000 0.243 308 V C 2.077 178.012 176.094 -0.266 0.000 1.039 308 V CA 1.379 63.577 62.300 -0.169 0.000 1.016 308 V CB -0.573 31.179 31.823 -0.118 0.000 0.650 308 V HN 0.295 nan 8.190 nan 0.000 0.449 309 L N 0.621 121.638 121.223 -0.343 0.000 2.046 309 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 309 L C 2.662 178.991 176.870 -0.903 0.000 1.077 309 L CA 1.802 56.244 54.840 -0.664 0.000 0.747 309 L CB -1.206 40.454 42.059 -0.665 0.000 0.896 309 L HN 0.488 nan 8.230 nan 0.000 0.432 310 G N -0.404 108.097 108.800 -0.499 0.000 2.442 310 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 310 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 310 G C 1.761 176.556 174.900 -0.175 0.000 1.141 310 G CA 0.841 45.784 45.100 -0.262 0.000 0.763 310 G HN 0.478 nan 8.290 nan 0.000 0.554 311 A N 0.773 123.467 122.820 -0.211 0.000 1.930 311 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 311 A C 2.688 180.204 177.584 -0.113 0.000 1.175 311 A CA 1.975 53.909 52.037 -0.172 0.000 0.627 311 A CB -0.933 17.956 19.000 -0.184 0.000 0.815 311 A HN 0.497 nan 8.150 nan 0.000 0.443 312 G N -1.020 107.677 108.800 -0.172 0.000 2.402 312 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 312 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 312 G C 1.281 176.258 174.900 0.129 0.000 1.162 312 G CA 1.036 46.084 45.100 -0.087 0.000 0.777 312 G HN 0.376 nan 8.290 nan 0.000 0.539 313 F N 1.696 121.649 119.950 0.006 0.000 2.171 313 F HA 0.036 4.563 4.527 -0.000 0.000 0.300 313 F C 2.296 178.121 175.800 0.041 0.000 1.090 313 F CA 0.386 58.402 58.000 0.027 0.000 1.293 313 F CB -0.622 38.388 39.000 0.016 0.000 1.013 313 F HN 0.115 nan 8.300 nan 0.000 0.486 314 D N -0.594 119.931 120.400 0.210 0.000 2.178 314 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 314 D C 2.205 178.612 176.300 0.178 0.000 0.974 314 D CA 1.356 55.447 54.000 0.151 0.000 0.841 314 D CB -0.331 40.507 40.800 0.063 0.000 0.953 314 D HN 0.201 nan 8.370 nan 0.000 0.478 315 T N 1.140 115.792 114.554 0.163 0.000 2.777 315 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 315 T C 1.897 176.764 174.700 0.278 0.000 1.040 315 T CA 0.357 62.593 62.100 0.227 0.000 1.141 315 T CB -0.194 68.760 68.868 0.143 0.000 0.868 315 T HN 0.042 nan 8.240 nan 0.000 0.444 316 L N 1.540 122.887 121.223 0.206 0.000 2.083 316 L HA 0.115 4.455 4.340 -0.000 0.000 0.209 316 L C 2.546 179.537 176.870 0.201 0.000 1.083 316 L CA 1.669 56.608 54.840 0.165 0.000 0.752 316 L CB -0.993 41.147 42.059 0.136 0.000 0.899 316 L HN 0.215 nan 8.230 nan 0.000 0.433 317 A N -1.251 121.689 122.820 0.202 0.000 1.902 317 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 317 A C 2.117 179.843 177.584 0.238 0.000 1.181 317 A CA 1.657 53.802 52.037 0.180 0.000 0.623 317 A CB -1.386 17.710 19.000 0.160 0.000 0.818 317 A HN 0.732 nan 8.150 nan 0.000 0.443 318 W N 0.375 121.734 121.300 0.098 0.000 2.379 318 W HA -0.176 4.484 4.660 -0.000 0.000 0.307 318 W C 2.254 178.840 176.519 0.111 0.000 1.200 318 W CA 1.886 59.284 57.345 0.088 0.000 1.297 318 W CB -0.762 28.743 29.460 0.076 0.000 1.140 318 W HN 0.625 nan 8.180 nan 0.000 0.507 319 H N 0.180 119.202 119.070 -0.080 0.000 2.319 319 H HA -0.180 4.376 4.556 -0.000 0.000 0.297 319 H C 1.383 176.602 175.328 -0.181 0.000 1.097 319 H CA 2.448 58.343 56.048 -0.255 0.000 1.285 319 H CB -0.545 29.175 29.762 -0.070 0.000 1.368 319 H HN 0.059 nan 8.280 nan 0.000 0.495 320 D N 0.230 120.682 120.400 0.086 0.000 2.144 320 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 320 D C 2.603 178.872 176.300 -0.052 0.000 0.978 320 D CA 0.572 54.591 54.000 0.031 0.000 0.833 320 D CB -0.226 40.636 40.800 0.104 0.000 0.961 320 D HN 0.380 nan 8.370 nan 0.000 0.470 321 R N 0.269 120.748 120.500 -0.034 0.000 2.073 321 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 321 R C 2.322 178.563 176.300 -0.097 0.000 1.134 321 R CA 0.772 56.860 56.100 -0.020 0.000 0.952 321 R CB -0.448 29.889 30.300 0.062 0.000 0.850 321 R HN 0.102 nan 8.270 nan 0.000 0.433 322 V N 1.386 121.161 119.914 -0.232 0.000 2.358 322 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 322 V C 2.225 178.172 176.094 -0.246 0.000 1.047 322 V CA 1.408 63.549 62.300 -0.266 0.000 1.035 322 V CB -0.433 31.114 31.823 -0.461 0.000 0.658 322 V HN 0.237 nan 8.190 nan 0.000 0.452 323 L N 0.017 121.053 121.223 -0.311 0.000 2.083 323 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 323 L C 2.428 179.209 176.870 -0.149 0.000 1.083 323 L CA 2.331 57.013 54.840 -0.263 0.000 0.752 323 L CB -0.939 40.912 42.059 -0.347 0.000 0.899 323 L HN 0.336 nan 8.230 nan 0.000 0.433 324 T N -0.226 114.266 114.554 -0.104 0.000 2.788 324 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 324 T C 1.958 176.635 174.700 -0.038 0.000 1.044 324 T CA 1.903 63.974 62.100 -0.048 0.000 1.139 324 T CB -0.269 68.612 68.868 0.022 0.000 0.867 324 T HN 0.316 nan 8.240 nan 0.000 0.454 325 I N 0.670 121.208 120.570 -0.054 0.000 2.202 325 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 325 I C 2.718 178.780 176.117 -0.092 0.000 1.091 325 I CA 1.237 62.502 61.300 -0.058 0.000 1.368 325 I CB -0.285 37.659 38.000 -0.093 0.000 1.058 325 I HN 0.196 nan 8.210 nan 0.000 0.410 326 E N 1.314 121.438 120.200 -0.126 0.000 2.051 326 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 326 E C 2.038 178.584 176.600 -0.091 0.000 0.991 326 E CA 1.329 57.656 56.400 -0.121 0.000 0.799 326 E CB -0.292 29.331 29.700 -0.128 0.000 0.748 326 E HN 0.301 nan 8.360 nan 0.000 0.449 327 L N 1.009 122.177 121.223 -0.092 0.000 2.042 327 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 327 L C 1.242 178.061 176.870 -0.086 0.000 1.076 327 L CA 1.863 56.651 54.840 -0.087 0.000 0.749 327 L CB -0.462 41.539 42.059 -0.098 0.000 0.893 327 L HN 0.157 nan 8.230 nan 0.000 0.432 328 N N -0.114 118.535 118.700 -0.086 0.000 2.322 328 N HA 0.184 4.924 4.740 -0.000 0.000 0.194 328 N C 0.343 175.834 175.510 -0.032 0.000 1.126 328 N CA 0.628 53.640 53.050 -0.063 0.000 0.845 328 N CB 0.208 38.672 38.487 -0.038 0.000 0.976 328 N HN 0.432 nan 8.380 nan 0.000 0.475 329 A N 0.269 123.061 122.820 -0.047 0.000 2.248 329 A HA 0.576 4.896 4.320 -0.000 0.000 0.316 329 A C 0.010 177.570 177.584 -0.040 0.000 1.101 329 A CA -0.396 51.613 52.037 -0.047 0.000 0.875 329 A CB 1.020 19.977 19.000 -0.073 0.000 1.207 329 A HN -0.041 nan 8.150 nan 0.000 0.504 330 V N 1.228 121.118 119.914 -0.040 0.000 2.328 330 V HA 0.304 4.424 4.120 -0.000 0.000 0.278 330 V C 0.886 176.956 176.094 -0.039 0.000 1.021 330 V CA 0.399 62.680 62.300 -0.031 0.000 0.838 330 V CB 0.674 32.480 31.823 -0.029 0.000 0.999 330 V HN 1.035 nan 8.190 nan 0.000 0.447 331 T N -0.661 113.880 114.554 -0.022 0.000 3.145 331 T HA 0.197 4.547 4.350 -0.000 0.000 0.255 331 T C 0.168 174.889 174.700 0.036 0.000 1.039 331 T CA -0.531 61.562 62.100 -0.011 0.000 0.928 331 T CB -0.329 68.542 68.868 0.005 0.000 1.029 331 T HN 0.544 nan 8.240 nan 0.000 0.554 332 D N 2.555 122.966 120.400 0.018 0.000 2.357 332 D HA 0.488 5.128 4.640 -0.000 0.000 0.242 332 D C -0.079 176.240 176.300 0.031 0.000 1.153 332 D CA 0.073 54.097 54.000 0.039 0.000 0.918 332 D CB 0.459 41.260 40.800 0.002 0.000 1.181 332 D HN 0.314 nan 8.370 nan 0.000 0.435 333 N N 0.173 118.919 118.700 0.077 0.000 2.503 333 N HA 0.298 5.038 4.740 -0.000 0.000 0.287 333 N C -2.923 172.608 175.510 0.034 0.000 1.096 333 N CA -1.401 51.671 53.050 0.036 0.000 0.936 333 N CB 1.896 40.538 38.487 0.259 0.000 1.570 333 N HN 0.024 nan 8.380 nan 0.000 0.504 334 P HA 0.336 nan 4.420 nan 0.000 0.279 334 P C -0.921 176.052 177.300 -0.546 0.000 1.282 334 P CA -0.443 62.383 63.100 -0.457 0.000 0.788 334 P CB 0.938 32.181 31.700 -0.762 0.000 1.139 335 V N -3.870 115.639 119.914 -0.676 0.000 2.962 335 V HA 0.623 4.743 4.120 -0.000 0.000 0.313 335 V C -1.074 174.547 176.094 -0.788 0.000 1.099 335 V CA -0.950 60.973 62.300 -0.628 0.000 0.971 335 V CB 1.663 33.321 31.823 -0.274 0.000 1.028 335 V HN 0.217 nan 8.190 nan 0.000 0.430 336 F N 2.158 122.092 119.950 -0.027 0.000 2.311 336 F HA 0.614 5.141 4.527 -0.000 0.000 0.371 336 F C -2.384 173.410 175.800 -0.011 0.000 1.083 336 F CA -2.618 55.373 58.000 -0.014 0.000 1.113 336 F CB 1.204 40.202 39.000 -0.003 0.000 1.349 336 F HN 0.287 nan 8.300 nan 0.000 0.470 337 P HA -0.016 nan 4.420 nan 0.000 0.256 337 P C -1.970 175.372 177.300 0.070 0.000 1.173 337 P CA -0.585 62.546 63.100 0.052 0.000 0.768 337 P CB 0.412 32.131 31.700 0.032 0.000 0.758 338 P HA -0.177 nan 4.420 nan 0.000 0.219 338 P C 0.844 178.164 177.300 0.034 0.000 1.146 338 P CA 1.327 64.454 63.100 0.045 0.000 0.808 338 P CB -0.105 31.614 31.700 0.032 0.000 0.779 339 D N -1.509 118.908 120.400 0.028 0.000 2.363 339 D HA 0.023 4.663 4.640 -0.000 0.000 0.226 339 D C 1.431 177.747 176.300 0.026 0.000 1.020 339 D CA 0.802 54.815 54.000 0.022 0.000 0.892 339 D CB -1.239 39.570 40.800 0.015 0.000 0.900 339 D HN 0.180 nan 8.370 nan 0.000 0.531 340 G N 0.279 109.100 108.800 0.036 0.000 2.168 340 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.257 340 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.257 340 G C 1.226 176.147 174.900 0.036 0.000 0.997 340 G CA 1.179 46.303 45.100 0.040 0.000 0.708 340 G HN 0.629 nan 8.290 nan 0.000 0.520 341 S N -1.412 114.307 115.700 0.032 0.000 2.359 341 S HA 0.187 4.657 4.470 -0.000 0.000 0.224 341 S C 1.224 175.844 174.600 0.033 0.000 1.035 341 S CA 1.925 60.141 58.200 0.027 0.000 1.018 341 S CB -0.426 62.785 63.200 0.019 0.000 0.876 341 S HN 2.003 nan 8.310 nan 0.000 0.448 342 V N -3.369 116.570 119.914 0.042 0.000 3.078 342 V HA 0.561 4.681 4.120 -0.000 0.000 0.311 342 V C -2.499 173.643 176.094 0.080 0.000 1.138 342 V CA -2.165 60.166 62.300 0.053 0.000 1.007 342 V CB 1.157 33.007 31.823 0.045 0.000 1.045 342 V HN -0.110 nan 8.190 nan 0.000 0.432 343 P HA 0.204 nan 4.420 nan 0.000 0.215 343 P C 0.277 177.712 177.300 0.225 0.000 1.153 343 P CA 2.170 65.360 63.100 0.151 0.000 0.853 343 P CB 0.167 31.953 31.700 0.143 0.000 0.788 344 A N -2.032 120.871 122.820 0.139 0.000 2.608 344 A HA 0.634 4.954 4.320 -0.000 0.000 0.292 344 A C -1.884 175.671 177.584 -0.048 0.000 1.066 344 A CA -0.550 51.490 52.037 0.004 0.000 0.676 344 A CB 0.439 19.425 19.000 -0.023 0.000 1.277 344 A HN -0.052 nan 8.150 nan 0.000 0.413 345 L N 1.128 122.230 121.223 -0.202 0.000 2.362 345 L HA 0.613 4.953 4.340 -0.000 0.000 0.271 345 L C -1.040 175.658 176.870 -0.285 0.000 1.002 345 L CA -0.685 54.079 54.840 -0.127 0.000 0.818 345 L CB 2.194 44.187 42.059 -0.109 0.000 1.298 345 L HN 0.846 nan 8.230 nan 0.000 0.420 346 H N 1.098 120.110 119.070 -0.097 0.000 2.505 346 H HA 0.757 5.313 4.556 0.000 0.000 0.338 346 H C 0.147 175.420 175.328 -0.092 0.000 1.057 346 H CA -0.169 55.822 56.048 -0.095 0.000 1.202 346 H CB 1.988 31.692 29.762 -0.096 0.000 1.466 346 H HN 0.742 nan 8.280 nan 0.000 0.499 347 G N 0.647 109.433 108.800 -0.023 0.000 2.793 347 G HA2 0.442 4.402 3.960 -0.000 0.000 0.248 347 G HA3 0.442 4.402 3.960 -0.000 0.000 0.248 347 G C -0.298 174.486 174.900 -0.193 0.000 1.198 347 G CA -0.286 44.763 45.100 -0.086 0.000 0.865 347 G HN 0.668 nan 8.290 nan 0.000 0.534 348 G N 0.029 108.589 108.800 -0.399 0.000 4.716 348 G HA2 0.296 4.256 3.960 -0.000 0.000 0.282 348 G HA3 0.296 4.256 3.960 -0.000 0.000 0.282 348 G C 0.267 174.558 174.900 -1.014 0.000 1.173 348 G CA -0.129 44.371 45.100 -1.000 0.000 0.913 348 G HN 0.264 nan 8.290 nan 0.000 0.566 349 N N 0.864 119.193 118.700 -0.619 0.000 2.609 349 N HA -0.048 4.692 4.740 -0.000 0.000 0.190 349 N C 1.522 176.870 175.510 -0.271 0.000 1.157 349 N CA 0.362 53.202 53.050 -0.350 0.000 0.918 349 N CB -0.153 38.222 38.487 -0.186 0.000 0.978 349 N HN 0.632 nan 8.380 nan 0.000 0.448 350 F N -1.161 118.771 119.950 -0.031 0.000 2.789 350 F HA 0.324 4.851 4.527 -0.000 0.000 0.300 350 F C 0.829 176.625 175.800 -0.005 0.000 1.132 350 F CA -0.765 57.223 58.000 -0.020 0.000 1.404 350 F CB -0.723 38.265 39.000 -0.020 0.000 1.114 350 F HN -0.166 nan 8.300 nan 0.000 0.584 351 M N 2.735 122.274 119.600 -0.103 0.000 2.350 351 M HA 0.349 4.829 4.480 -0.000 0.000 0.338 351 M C 0.962 177.299 176.300 0.062 0.000 1.559 351 M CA -0.469 54.867 55.300 0.061 0.000 1.217 351 M CB 0.235 32.791 32.600 -0.073 0.000 1.808 351 M HN 0.234 nan 8.290 nan 0.000 0.458 352 G N 3.522 112.381 108.800 0.099 0.000 3.452 352 G HA2 0.035 3.995 3.960 -0.000 0.000 0.258 352 G HA3 0.035 3.995 3.960 -0.000 0.000 0.258 352 G C 0.675 175.610 174.900 0.059 0.000 1.305 352 G CA -0.196 44.948 45.100 0.073 0.000 1.514 352 G HN 0.819 nan 8.290 nan 0.000 0.593 353 Q N -0.034 119.797 119.800 0.053 0.000 2.167 353 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 353 Q C 1.921 177.887 176.000 -0.055 0.000 0.970 353 Q CA 1.429 57.228 55.803 -0.006 0.000 0.855 353 Q CB -0.110 28.601 28.738 -0.045 0.000 0.911 353 Q HN 0.719 nan 8.270 nan 0.000 0.438 354 H N -1.755 117.290 119.070 -0.042 0.000 2.326 354 H HA -0.058 4.498 4.556 -0.000 0.000 0.301 354 H C 1.796 177.042 175.328 -0.136 0.000 1.081 354 H CA 1.743 57.740 56.048 -0.085 0.000 1.334 354 H CB 0.009 29.708 29.762 -0.105 0.000 1.385 354 H HN 0.068 nan 8.280 nan 0.000 0.504 355 V N 0.499 120.419 119.914 0.011 0.000 2.515 355 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 355 V C 2.483 178.564 176.094 -0.021 0.000 1.058 355 V CA 1.362 63.631 62.300 -0.053 0.000 1.064 355 V CB -0.894 30.910 31.823 -0.032 0.000 0.675 355 V HN 0.564 nan 8.190 nan 0.000 0.461 356 A N 0.096 122.918 122.820 0.002 0.000 1.858 356 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 356 A C 2.202 179.798 177.584 0.021 0.000 1.190 356 A CA 1.838 53.887 52.037 0.019 0.000 0.617 356 A CB -0.540 18.474 19.000 0.022 0.000 0.827 356 A HN 0.483 nan 8.150 nan 0.000 0.443 357 L N -0.137 121.087 121.223 0.002 0.000 2.093 357 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 357 L C 2.987 179.898 176.870 0.069 0.000 1.085 357 L CA 1.796 56.666 54.840 0.050 0.000 0.755 357 L CB -0.907 41.194 42.059 0.069 0.000 0.904 357 L HN 0.672 nan 8.230 nan 0.000 0.435 358 T N -4.665 109.830 114.554 -0.098 0.000 2.904 358 T HA -0.088 4.261 4.350 -0.000 0.000 0.267 358 T C 2.023 176.797 174.700 0.123 0.000 1.059 358 T CA 1.224 63.218 62.100 -0.177 0.000 1.137 358 T CB -0.219 68.334 68.868 -0.527 0.000 0.879 358 T HN 0.119 nan 8.240 nan 0.000 0.467 359 S N 1.648 117.418 115.700 0.116 0.000 2.368 359 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 359 S C 1.840 176.501 174.600 0.102 0.000 1.029 359 S CA 1.203 59.493 58.200 0.150 0.000 0.988 359 S CB -0.526 62.740 63.200 0.109 0.000 0.838 359 S HN 0.520 nan 8.310 nan 0.000 0.462 360 D N 1.603 122.058 120.400 0.091 0.000 2.144 360 D HA 0.017 4.657 4.640 -0.000 0.000 0.199 360 D C 2.094 178.448 176.300 0.089 0.000 0.984 360 D CA 1.143 55.190 54.000 0.079 0.000 0.834 360 D CB -0.385 40.457 40.800 0.070 0.000 0.955 360 D HN 0.377 nan 8.370 nan 0.000 0.465 361 A N 0.645 123.553 122.820 0.146 0.000 1.898 361 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 361 A C 2.133 179.788 177.584 0.118 0.000 1.181 361 A CA 0.864 53.007 52.037 0.177 0.000 0.620 361 A CB -0.650 18.581 19.000 0.384 0.000 0.819 361 A HN 0.238 nan 8.150 nan 0.000 0.442 362 L N -0.151 121.136 121.223 0.106 0.000 2.046 362 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 362 L C 2.645 179.502 176.870 -0.022 0.000 1.077 362 L CA 2.073 56.920 54.840 0.013 0.000 0.747 362 L CB -0.825 41.164 42.059 -0.116 0.000 0.896 362 L HN 0.342 nan 8.230 nan 0.000 0.432 363 A N -1.544 121.278 122.820 0.002 0.000 1.908 363 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 363 A C 2.274 179.834 177.584 -0.040 0.000 1.181 363 A CA 2.410 54.441 52.037 -0.010 0.000 0.627 363 A CB -1.222 17.789 19.000 0.018 0.000 0.818 363 A HN 0.513 nan 8.150 nan 0.000 0.445 364 T N 0.108 114.647 114.554 -0.024 0.000 2.777 364 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 364 T C 2.234 176.879 174.700 -0.092 0.000 1.040 364 T CA 1.504 63.578 62.100 -0.044 0.000 1.141 364 T CB -0.430 68.428 68.868 -0.017 0.000 0.868 364 T HN 0.605 nan 8.240 nan 0.000 0.444 365 A N 0.968 123.734 122.820 -0.090 0.000 1.902 365 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 365 A C 2.571 179.984 177.584 -0.285 0.000 1.181 365 A CA 1.285 53.236 52.037 -0.144 0.000 0.623 365 A CB -1.013 17.938 19.000 -0.082 0.000 0.818 365 A HN 0.351 nan 8.150 nan 0.000 0.443 366 V N -0.210 119.523 119.914 -0.302 0.000 2.343 366 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 366 V C 2.734 178.501 176.094 -0.545 0.000 1.051 366 V CA 2.461 64.433 62.300 -0.547 0.000 1.036 366 V CB -1.190 30.479 31.823 -0.256 0.000 0.654 366 V HN 0.617 nan 8.190 nan 0.000 0.451 367 T N -0.230 114.152 114.554 -0.286 0.000 2.788 367 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 367 T C 1.938 176.502 174.700 -0.226 0.000 1.044 367 T CA 1.519 63.493 62.100 -0.209 0.000 1.139 367 T CB -0.164 68.638 68.868 -0.110 0.000 0.867 367 T HN 0.285 nan 8.240 nan 0.000 0.454 368 V N 1.144 120.922 119.914 -0.227 0.000 2.307 368 V HA -0.088 4.032 4.120 -0.000 0.000 0.245 368 V C 2.374 178.324 176.094 -0.240 0.000 1.045 368 V CA 1.305 63.492 62.300 -0.190 0.000 1.024 368 V CB -0.529 31.198 31.823 -0.161 0.000 0.651 368 V HN 0.319 nan 8.190 nan 0.000 0.449 369 L N 0.263 121.247 121.223 -0.399 0.000 2.141 369 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 369 L C 2.528 179.174 176.870 -0.373 0.000 1.094 369 L CA 1.984 56.576 54.840 -0.413 0.000 0.763 369 L CB -1.136 40.549 42.059 -0.624 0.000 0.908 369 L HN 0.280 nan 8.230 nan 0.000 0.437 370 A N -0.569 121.903 122.820 -0.579 0.000 1.930 370 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 370 A C 2.420 179.975 177.584 -0.048 0.000 1.175 370 A CA 1.465 53.356 52.037 -0.243 0.000 0.627 370 A CB -1.206 17.670 19.000 -0.207 0.000 0.815 370 A HN 0.415 nan 8.150 nan 0.000 0.443 371 G N -0.099 108.646 108.800 -0.091 0.000 2.422 371 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 371 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 371 G C 1.474 176.373 174.900 -0.001 0.000 1.146 371 G CA 1.177 46.258 45.100 -0.033 0.000 0.769 371 G HN 0.504 nan 8.290 nan 0.000 0.547 372 L N 1.429 122.646 121.223 -0.010 0.000 2.017 372 L HA 0.146 4.486 4.340 -0.000 0.000 0.208 372 L C 3.018 179.930 176.870 0.069 0.000 1.073 372 L CA 2.324 57.181 54.840 0.027 0.000 0.745 372 L CB -0.808 41.258 42.059 0.012 0.000 0.894 372 L HN 0.212 nan 8.230 nan 0.000 0.432 373 A N -0.880 122.006 122.820 0.110 0.000 1.902 373 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 373 A C 2.328 179.969 177.584 0.096 0.000 1.181 373 A CA 1.727 53.848 52.037 0.140 0.000 0.623 373 A CB -0.788 18.355 19.000 0.238 0.000 0.818 373 A HN 0.601 nan 8.150 nan 0.000 0.443 374 E N -0.062 120.188 120.200 0.083 0.000 2.110 374 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 374 E C 2.048 178.680 176.600 0.054 0.000 0.988 374 E CA 0.875 57.313 56.400 0.064 0.000 0.804 374 E CB -0.194 29.538 29.700 0.053 0.000 0.745 374 E HN 0.380 nan 8.360 nan 0.000 0.458 375 R N 0.294 120.824 120.500 0.049 0.000 2.148 375 R HA -0.024 4.316 4.340 -0.000 0.000 0.223 375 R C 2.353 178.681 176.300 0.047 0.000 1.088 375 R CA 0.734 56.861 56.100 0.044 0.000 0.985 375 R CB -0.354 29.970 30.300 0.041 0.000 0.880 375 R HN 0.392 nan 8.270 nan 0.000 0.451 376 Q N 0.056 119.890 119.800 0.056 0.000 2.119 376 Q HA -0.035 4.304 4.340 -0.000 0.000 0.201 376 Q C 2.163 178.186 176.000 0.039 0.000 0.972 376 Q CA 1.112 56.949 55.803 0.055 0.000 0.847 376 Q CB -0.071 28.709 28.738 0.070 0.000 0.903 376 Q HN 0.301 nan 8.270 nan 0.000 0.433 377 I N 0.568 121.161 120.570 0.039 0.000 2.252 377 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 377 I C 2.401 178.544 176.117 0.043 0.000 1.102 377 I CA 0.907 62.224 61.300 0.028 0.000 1.385 377 I CB -0.389 37.633 38.000 0.036 0.000 1.064 377 I HN 0.143 nan 8.210 nan 0.000 0.414 378 A N 0.723 123.574 122.820 0.052 0.000 1.972 378 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 378 A C 2.431 180.031 177.584 0.026 0.000 1.169 378 A CA 1.847 53.918 52.037 0.056 0.000 0.635 378 A CB -0.600 18.431 19.000 0.052 0.000 0.810 378 A HN 0.397 nan 8.150 nan 0.000 0.446 379 R N -1.028 119.482 120.500 0.017 0.000 2.062 379 R HA 0.009 4.349 4.340 -0.000 0.000 0.226 379 R C 2.012 178.303 176.300 -0.016 0.000 1.125 379 R CA 1.249 57.348 56.100 -0.001 0.000 0.966 379 R CB -0.395 29.912 30.300 0.011 0.000 0.861 379 R HN 0.380 nan 8.270 nan 0.000 0.433 380 L N 1.241 122.460 121.223 -0.008 0.000 2.131 380 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 380 L C 1.961 178.807 176.870 -0.040 0.000 1.092 380 L CA 2.421 57.248 54.840 -0.021 0.000 0.759 380 L CB -0.467 41.579 42.059 -0.021 0.000 0.903 380 L HN 0.445 nan 8.230 nan 0.000 0.435 381 T N -4.268 110.267 114.554 -0.032 0.000 3.129 381 T HA 0.025 4.375 4.350 -0.000 0.000 0.251 381 T C 0.732 175.245 174.700 -0.313 0.000 1.117 381 T CA -0.113 61.948 62.100 -0.066 0.000 1.034 381 T CB -0.449 68.502 68.868 0.139 0.000 0.968 381 T HN 0.243 nan 8.240 nan 0.000 0.526 382 D N 2.610 122.881 120.400 -0.214 0.000 2.347 382 D HA 0.075 4.715 4.640 -0.000 0.000 0.235 382 D C 1.313 177.494 176.300 -0.199 0.000 1.149 382 D CA -0.307 53.542 54.000 -0.252 0.000 0.850 382 D CB 1.284 42.013 40.800 -0.118 0.000 1.061 382 D HN 0.609 nan 8.370 nan 0.000 0.487 383 E N 3.292 123.347 120.200 -0.240 0.000 2.267 383 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 383 E C 1.091 177.641 176.600 -0.082 0.000 0.998 383 E CA 0.808 57.127 56.400 -0.136 0.000 0.830 383 E CB 0.090 29.723 29.700 -0.113 0.000 0.751 383 E HN 0.371 nan 8.360 nan 0.000 0.491 384 R N 0.044 120.496 120.500 -0.080 0.000 2.200 384 R HA 0.166 4.506 4.340 -0.000 0.000 0.208 384 R C 1.868 178.142 176.300 -0.044 0.000 1.033 384 R CA 0.618 56.688 56.100 -0.049 0.000 1.000 384 R CB 0.158 30.435 30.300 -0.040 0.000 0.906 384 R HN 0.268 nan 8.270 nan 0.000 0.462 385 L N 0.323 121.515 121.223 -0.052 0.000 2.701 385 L HA 0.113 4.453 4.340 -0.000 0.000 0.238 385 L C 0.642 177.490 176.870 -0.037 0.000 1.106 385 L CA -0.071 54.745 54.840 -0.040 0.000 0.898 385 L CB 0.114 42.151 42.059 -0.037 0.000 1.188 385 L HN 0.136 nan 8.230 nan 0.000 0.508 386 N N 0.800 119.471 118.700 -0.047 0.000 2.362 386 N HA -0.040 4.700 4.740 -0.000 0.000 0.204 386 N C 0.050 175.542 175.510 -0.030 0.000 1.166 386 N CA -0.292 52.735 53.050 -0.038 0.000 0.831 386 N CB -0.165 38.292 38.487 -0.050 0.000 1.008 386 N HN 0.063 nan 8.380 nan 0.000 0.472 387 R N -0.468 120.016 120.500 -0.027 0.000 3.188 387 R HA -0.169 4.171 4.340 -0.000 0.000 0.247 387 R C 0.775 177.064 176.300 -0.019 0.000 0.918 387 R CA 0.491 56.578 56.100 -0.021 0.000 0.629 387 R CB -2.067 28.223 30.300 -0.017 0.000 1.087 387 R HN 0.635 nan 8.270 nan 0.000 0.462 388 G N -0.993 107.794 108.800 -0.021 0.000 2.194 388 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.236 388 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.236 388 G C 0.263 175.151 174.900 -0.021 0.000 0.987 388 G CA 0.047 45.136 45.100 -0.018 0.000 0.635 388 G HN 0.259 nan 8.290 nan 0.000 0.520 389 L N 1.632 122.839 121.223 -0.026 0.000 2.436 389 L HA 0.409 4.749 4.340 -0.000 0.000 0.265 389 L C -1.603 175.247 176.870 -0.034 0.000 1.168 389 L CA -1.980 52.843 54.840 -0.029 0.000 0.815 389 L CB 0.593 42.636 42.059 -0.027 0.000 1.109 389 L HN -0.083 nan 8.230 nan 0.000 0.462 390 P HA 0.035 nan 4.420 nan 0.000 0.267 390 P C -2.465 174.851 177.300 0.026 0.000 1.200 390 P CA -0.871 62.206 63.100 -0.039 0.000 0.772 390 P CB -0.185 31.376 31.700 -0.231 0.000 0.855 391 P HA -0.005 nan 4.420 nan 0.000 0.267 391 P C -0.262 177.116 177.300 0.130 0.000 1.209 391 P CA 0.344 63.412 63.100 -0.053 0.000 0.763 391 P CB -0.170 31.543 31.700 0.020 0.000 0.816 392 F N 1.668 121.716 119.950 0.164 0.000 3.034 392 F HA -0.241 4.286 4.527 -0.000 0.000 0.286 392 F C 1.299 177.269 175.800 0.284 0.000 0.804 392 F CA 0.339 58.460 58.000 0.201 0.000 1.161 392 F CB -2.622 36.487 39.000 0.182 0.000 1.317 392 F HN 0.274 nan 8.300 nan 0.000 0.453 393 L N -1.570 119.820 121.223 0.279 0.000 3.737 393 L HA -0.315 4.025 4.340 -0.000 0.000 0.418 393 L C 1.333 178.360 176.870 0.261 0.000 1.216 393 L CA 1.059 56.037 54.840 0.230 0.000 0.915 393 L CB -1.983 40.229 42.059 0.254 0.000 1.834 393 L HN 0.694 nan 8.230 nan 0.000 0.943 394 H N 0.454 119.647 119.070 0.206 0.000 2.603 394 H HA 0.666 5.222 4.556 -0.000 0.000 0.370 394 H C 0.231 175.614 175.328 0.091 0.000 1.225 394 H CA -0.494 55.632 56.048 0.130 0.000 1.410 394 H CB 0.911 30.740 29.762 0.112 0.000 1.495 394 H HN 0.295 nan 8.280 nan 0.000 0.602 395 R N -0.010 120.542 120.500 0.087 0.000 2.807 395 R HA 0.475 4.815 4.340 -0.000 0.000 0.276 395 R C -0.410 175.998 176.300 0.179 0.000 0.979 395 R CA -0.211 55.903 56.100 0.023 0.000 0.928 395 R CB 2.236 32.552 30.300 0.027 0.000 1.191 395 R HN 1.120 nan 8.270 nan 0.000 0.471 396 G N 1.849 110.727 108.800 0.129 0.000 2.728 396 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.294 396 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.294 396 G C -2.763 172.259 174.900 0.204 0.000 1.342 396 G CA -1.287 43.893 45.100 0.133 0.000 0.866 396 G HN 0.384 nan 8.290 nan 0.000 0.534 397 P HA 0.441 nan 4.420 nan 0.000 0.264 397 P C 0.459 177.781 177.300 0.036 0.000 1.193 397 P CA 0.855 64.012 63.100 0.094 0.000 0.763 397 P CB 0.655 32.380 31.700 0.041 0.000 0.810 398 A N 3.456 126.293 122.820 0.028 0.000 2.445 398 A HA 0.477 4.797 4.320 -0.000 0.000 0.242 398 A C 1.600 179.085 177.584 -0.164 0.000 1.075 398 A CA 0.799 52.679 52.037 -0.262 0.000 0.777 398 A CB -0.925 18.038 19.000 -0.060 0.000 1.013 398 A HN 0.811 nan 8.150 nan 0.000 0.493 399 G N 0.349 109.027 108.800 -0.204 0.000 3.206 399 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 399 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 399 G C 1.077 175.923 174.900 -0.090 0.000 1.350 399 G CA 0.519 45.559 45.100 -0.101 0.000 0.836 399 G HN 0.882 nan 8.290 nan 0.000 0.548 400 L N 1.072 122.250 121.223 -0.074 0.000 2.275 400 L HA 0.143 4.483 4.340 -0.000 0.000 0.215 400 L C 0.746 177.580 176.870 -0.060 0.000 1.119 400 L CA 0.888 55.699 54.840 -0.050 0.000 0.790 400 L CB -0.272 41.772 42.059 -0.025 0.000 0.919 400 L HN 0.316 nan 8.230 nan 0.000 0.443 401 N N -1.538 117.102 118.700 -0.100 0.000 2.258 401 N HA 0.212 4.952 4.740 -0.000 0.000 0.299 401 N C -0.132 175.286 175.510 -0.153 0.000 1.047 401 N CA -0.144 52.855 53.050 -0.085 0.000 0.814 401 N CB 2.157 40.649 38.487 0.008 0.000 1.413 401 N HN -0.241 nan 8.380 nan 0.000 0.478 402 S N 0.053 115.704 115.700 -0.082 0.000 2.559 402 S HA 0.259 4.729 4.470 -0.000 0.000 0.226 402 S C 1.256 175.880 174.600 0.040 0.000 1.000 402 S CA 0.063 58.225 58.200 -0.062 0.000 0.948 402 S CB 0.485 63.602 63.200 -0.139 0.000 0.870 402 S HN 0.936 nan 8.310 nan 0.000 0.497 403 G N 2.449 111.274 108.800 0.041 0.000 2.629 403 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.313 403 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.313 403 G C 0.213 175.012 174.900 -0.169 0.000 1.217 403 G CA 0.717 45.814 45.100 -0.004 0.000 0.994 403 G HN 0.455 nan 8.290 nan 0.000 0.549 404 F N 1.393 121.423 119.950 0.133 0.000 2.664 404 F HA 0.466 4.993 4.527 -0.000 0.000 0.301 404 F C 2.391 178.208 175.800 0.029 0.000 1.126 404 F CA 0.929 58.982 58.000 0.087 0.000 1.373 404 F CB 0.111 39.183 39.000 0.119 0.000 1.042 404 F HN 0.337 nan 8.300 nan 0.000 0.535 405 M N 0.047 119.620 119.600 -0.045 0.000 2.108 405 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 405 M C 2.438 178.595 176.300 -0.239 0.000 1.066 405 M CA 2.281 57.271 55.300 -0.517 0.000 1.107 405 M CB -0.508 31.528 32.600 -0.940 0.000 1.356 405 M HN 0.319 nan 8.290 nan 0.000 0.406 406 G N -0.791 107.927 108.800 -0.137 0.000 2.402 406 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 406 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 406 G C 1.489 176.387 174.900 -0.003 0.000 1.162 406 G CA 0.797 45.852 45.100 -0.075 0.000 0.777 406 G HN 0.624 nan 8.290 nan 0.000 0.539 407 A N -0.044 122.811 122.820 0.060 0.000 1.940 407 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 407 A C 2.275 179.924 177.584 0.108 0.000 1.176 407 A CA 2.050 54.157 52.037 0.116 0.000 0.631 407 A CB -0.418 18.734 19.000 0.254 0.000 0.814 407 A HN 0.393 nan 8.150 nan 0.000 0.446 408 Q N 0.039 119.915 119.800 0.127 0.000 2.079 408 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 408 Q C 2.082 178.130 176.000 0.080 0.000 0.974 408 Q CA 1.984 57.862 55.803 0.125 0.000 0.840 408 Q CB -0.258 28.604 28.738 0.208 0.000 0.898 408 Q HN 0.438 nan 8.270 nan 0.000 0.430 409 V N 0.496 120.438 119.914 0.046 0.000 2.427 409 V HA -0.195 3.924 4.120 -0.000 0.000 0.248 409 V C 2.342 178.454 176.094 0.028 0.000 1.051 409 V CA 1.988 64.305 62.300 0.028 0.000 1.048 409 V CB -0.793 31.027 31.823 -0.004 0.000 0.666 409 V HN 0.366 nan 8.190 nan 0.000 0.456 410 T N 0.431 115.002 114.554 0.029 0.000 2.788 410 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 410 T C 2.074 176.795 174.700 0.036 0.000 1.044 410 T CA 1.603 63.720 62.100 0.028 0.000 1.139 410 T CB -0.358 68.527 68.868 0.028 0.000 0.867 410 T HN 0.574 nan 8.240 nan 0.000 0.454 411 A N 1.169 124.016 122.820 0.045 0.000 1.902 411 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 411 A C 2.548 180.160 177.584 0.047 0.000 1.181 411 A CA 2.105 54.172 52.037 0.049 0.000 0.623 411 A CB -1.202 17.831 19.000 0.055 0.000 0.818 411 A HN 0.474 nan 8.150 nan 0.000 0.443 412 T N 0.284 114.865 114.554 0.045 0.000 2.746 412 T HA -0.011 4.339 4.350 -0.000 0.000 0.267 412 T C 2.219 176.938 174.700 0.031 0.000 1.039 412 T CA 1.540 63.663 62.100 0.038 0.000 1.142 412 T CB -0.442 68.449 68.868 0.039 0.000 0.866 412 T HN 0.600 nan 8.240 nan 0.000 0.444 413 A N 1.244 124.081 122.820 0.028 0.000 1.902 413 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 413 A C 2.298 179.896 177.584 0.025 0.000 1.181 413 A CA 1.174 53.224 52.037 0.022 0.000 0.623 413 A CB -0.822 18.189 19.000 0.019 0.000 0.818 413 A HN 0.478 nan 8.150 nan 0.000 0.443 414 L N -1.185 120.057 121.223 0.031 0.000 2.056 414 L HA -0.155 4.184 4.340 -0.000 0.000 0.207 414 L C 2.560 179.451 176.870 0.036 0.000 1.078 414 L CA 1.163 56.024 54.840 0.036 0.000 0.749 414 L CB -0.537 41.549 42.059 0.045 0.000 0.901 414 L HN 0.471 nan 8.230 nan 0.000 0.433 415 L N 0.253 121.497 121.223 0.035 0.000 2.056 415 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 415 L C 2.645 179.524 176.870 0.015 0.000 1.078 415 L CA 1.938 56.794 54.840 0.025 0.000 0.749 415 L CB -0.675 41.399 42.059 0.024 0.000 0.901 415 L HN 0.130 nan 8.230 nan 0.000 0.433 416 A N -0.814 122.016 122.820 0.017 0.000 1.908 416 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 416 A C 2.336 179.928 177.584 0.012 0.000 1.181 416 A CA 1.913 53.958 52.037 0.013 0.000 0.627 416 A CB -0.751 18.258 19.000 0.014 0.000 0.818 416 A HN 0.636 nan 8.150 nan 0.000 0.445 417 E N -0.662 119.548 120.200 0.016 0.000 2.106 417 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 417 E C 2.047 178.656 176.600 0.016 0.000 0.984 417 E CA 1.251 57.660 56.400 0.016 0.000 0.806 417 E CB -0.200 29.512 29.700 0.019 0.000 0.750 417 E HN 0.678 nan 8.360 nan 0.000 0.458 418 M N 0.013 119.623 119.600 0.017 0.000 2.108 418 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 418 M C 2.323 178.626 176.300 0.005 0.000 1.066 418 M CA 1.576 56.884 55.300 0.013 0.000 1.107 418 M CB -0.227 32.377 32.600 0.007 0.000 1.356 418 M HN 0.017 nan 8.290 nan 0.000 0.406 419 R N 0.144 120.645 120.500 0.002 0.000 2.193 419 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 419 R C 2.219 178.523 176.300 0.007 0.000 1.110 419 R CA 1.140 57.239 56.100 -0.000 0.000 0.988 419 R CB -0.476 29.823 30.300 -0.002 0.000 0.871 419 R HN 0.385 nan 8.270 nan 0.000 0.458 420 A N 0.554 123.380 122.820 0.010 0.000 2.067 420 A HA -0.037 4.282 4.320 -0.000 0.000 0.219 420 A C 0.825 178.419 177.584 0.017 0.000 1.158 420 A CA 0.955 52.999 52.037 0.012 0.000 0.661 420 A CB 0.066 19.072 19.000 0.011 0.000 0.801 420 A HN 0.115 nan 8.150 nan 0.000 0.452 421 T N 0.029 114.594 114.554 0.018 0.000 2.771 421 T HA 0.554 4.904 4.350 -0.000 0.000 0.281 421 T C 0.441 175.162 174.700 0.034 0.000 0.982 421 T CA 0.052 62.168 62.100 0.026 0.000 0.978 421 T CB 1.544 70.427 68.868 0.024 0.000 0.930 421 T HN 0.376 nan 8.240 nan 0.000 0.447 422 G N 2.927 111.760 108.800 0.055 0.000 2.971 422 G HA2 0.680 4.640 3.960 -0.000 0.000 0.235 422 G HA3 0.680 4.640 3.960 -0.000 0.000 0.235 422 G C -2.661 172.286 174.900 0.078 0.000 1.351 422 G CA -1.571 43.565 45.100 0.060 0.000 1.039 422 G HN 0.443 nan 8.290 nan 0.000 0.563 423 P HA 0.272 nan 4.420 nan 0.000 0.266 423 P C 0.319 177.687 177.300 0.114 0.000 1.195 423 P CA 0.343 63.481 63.100 0.063 0.000 0.768 423 P CB 1.363 33.077 31.700 0.023 0.000 0.838 424 A N 2.009 124.897 122.820 0.113 0.000 1.984 424 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 424 A C 2.061 179.722 177.584 0.129 0.000 1.173 424 A CA 1.002 53.146 52.037 0.177 0.000 0.673 424 A CB -0.998 18.071 19.000 0.116 0.000 0.830 424 A HN 0.473 nan 8.150 nan 0.000 0.453 425 S N 0.579 116.307 115.700 0.047 0.000 2.419 425 S HA -0.178 4.292 4.470 -0.000 0.000 0.235 425 S C 1.670 176.239 174.600 -0.052 0.000 1.019 425 S CA 1.559 59.765 58.200 0.010 0.000 0.982 425 S CB -0.680 62.524 63.200 0.007 0.000 0.789 425 S HN 0.792 nan 8.310 nan 0.000 0.490 426 I N -1.404 119.064 120.570 -0.170 0.000 3.444 426 I HA 0.069 4.239 4.170 -0.000 0.000 0.287 426 I C 0.687 176.574 176.117 -0.383 0.000 1.302 426 I CA 0.914 62.045 61.300 -0.283 0.000 1.368 426 I CB -0.336 37.451 38.000 -0.354 0.000 1.048 426 I HN 0.160 nan 8.210 nan 0.000 0.487 427 H N 1.201 120.281 119.070 0.018 0.000 2.524 427 H HA 0.312 4.868 4.556 -0.000 0.000 0.299 427 H C 0.637 175.977 175.328 0.019 0.000 1.074 427 H CA -0.224 55.834 56.048 0.017 0.000 1.115 427 H CB 0.124 29.896 29.762 0.017 0.000 1.522 427 H HN 0.302 nan 8.280 nan 0.000 0.543 428 S N 1.220 116.963 115.700 0.071 0.000 2.552 428 S HA 0.192 4.662 4.470 -0.000 0.000 0.289 428 S C 0.283 174.920 174.600 0.062 0.000 1.304 428 S CA -0.196 58.041 58.200 0.062 0.000 1.063 428 S CB 0.007 63.229 63.200 0.037 0.000 0.848 428 S HN 0.294 nan 8.310 nan 0.000 0.499 429 I N 3.313 123.918 120.570 0.059 0.000 2.533 429 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 429 I C 0.055 176.198 176.117 0.043 0.000 1.056 429 I CA -0.644 60.686 61.300 0.050 0.000 1.057 429 I CB 2.140 40.170 38.000 0.051 0.000 1.240 429 I HN 0.573 nan 8.210 nan 0.000 0.423 430 S N 3.915 119.637 115.700 0.037 0.000 2.525 430 S HA 0.271 4.741 4.470 -0.000 0.000 0.285 430 S C -0.209 174.411 174.600 0.034 0.000 1.283 430 S CA 0.425 58.646 58.200 0.035 0.000 1.072 430 S CB 0.282 63.500 63.200 0.030 0.000 0.867 430 S HN 0.768 nan 8.310 nan 0.000 0.492 431 T N 3.107 117.683 114.554 0.036 0.000 2.696 431 T HA 0.418 4.768 4.350 -0.000 0.000 0.291 431 T C -0.388 174.333 174.700 0.035 0.000 1.095 431 T CA -0.140 61.981 62.100 0.034 0.000 1.026 431 T CB 0.819 69.708 68.868 0.035 0.000 1.390 431 T HN 0.910 nan 8.240 nan 0.000 0.513 432 N N 0.620 119.340 118.700 0.034 0.000 2.727 432 N HA -0.220 4.520 4.740 -0.000 0.000 0.251 432 N C 0.274 175.804 175.510 0.033 0.000 1.040 432 N CA 0.771 53.843 53.050 0.036 0.000 0.712 432 N CB -1.162 37.351 38.487 0.042 0.000 0.912 432 N HN 1.531 nan 8.380 nan 0.000 0.545 433 A N -0.628 122.209 122.820 0.028 0.000 2.822 433 A HA 0.005 4.325 4.320 -0.000 0.000 0.287 433 A C 1.326 178.926 177.584 0.027 0.000 1.479 433 A CA 2.049 54.101 52.037 0.025 0.000 0.779 433 A CB -2.287 16.727 19.000 0.023 0.000 1.022 433 A HN 2.251 nan 8.150 nan 0.000 0.532 434 A N -2.394 120.443 122.820 0.029 0.000 3.396 434 A HA -0.363 3.957 4.320 -0.000 0.000 0.267 434 A C 1.384 178.988 177.584 0.034 0.000 1.139 434 A CA 2.061 54.116 52.037 0.029 0.000 1.115 434 A CB -2.539 16.476 19.000 0.025 0.000 1.133 434 A HN 2.232 nan 8.150 nan 0.000 0.920 435 N N -0.030 118.692 118.700 0.038 0.000 2.142 435 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 435 N C 0.979 176.519 175.510 0.051 0.000 1.023 435 N CA 1.824 54.901 53.050 0.044 0.000 0.852 435 N CB -0.151 38.367 38.487 0.050 0.000 0.998 435 N HN 0.746 nan 8.380 nan 0.000 0.424 436 Q N 0.576 120.406 119.800 0.050 0.000 2.963 436 Q HA 0.059 4.399 4.340 -0.000 0.000 0.262 436 Q C -0.405 175.626 176.000 0.053 0.000 1.318 436 Q CA -0.279 55.559 55.803 0.059 0.000 1.089 436 Q CB 0.562 29.331 28.738 0.052 0.000 1.424 436 Q HN 0.519 nan 8.270 nan 0.000 0.560 437 D N -0.480 119.949 120.400 0.049 0.000 2.348 437 D HA -0.076 4.564 4.640 -0.000 0.000 0.216 437 D C 0.675 176.999 176.300 0.040 0.000 0.970 437 D CA 0.413 54.437 54.000 0.040 0.000 0.889 437 D CB 0.123 40.942 40.800 0.033 0.000 0.912 437 D HN 0.205 nan 8.370 nan 0.000 0.524 438 V N -1.633 118.310 119.914 0.048 0.000 2.760 438 V HA 0.759 4.879 4.120 -0.000 0.000 0.309 438 V C -0.385 175.746 176.094 0.061 0.000 1.077 438 V CA -1.210 61.117 62.300 0.045 0.000 0.910 438 V CB 1.881 33.725 31.823 0.035 0.000 1.008 438 V HN 0.104 nan 8.190 nan 0.000 0.424 439 V N 0.926 120.875 119.914 0.059 0.000 2.962 439 V HA 0.764 4.884 4.120 -0.000 0.000 0.313 439 V C 1.070 177.201 176.094 0.061 0.000 1.099 439 V CA 0.269 62.611 62.300 0.071 0.000 0.971 439 V CB 1.421 33.283 31.823 0.066 0.000 1.028 439 V HN 1.297 nan 8.190 nan 0.000 0.430 440 S N 2.660 118.401 115.700 0.069 0.000 2.395 440 S HA 0.071 4.541 4.470 -0.000 0.000 0.225 440 S C 1.164 175.796 174.600 0.053 0.000 1.027 440 S CA 1.172 59.405 58.200 0.054 0.000 0.965 440 S CB -0.873 62.363 63.200 0.059 0.000 0.812 440 S HN 1.401 nan 8.310 nan 0.000 0.482 441 L N 0.325 121.583 121.223 0.059 0.000 4.040 441 L HA -0.197 4.143 4.340 -0.000 0.000 0.410 441 L C 1.495 178.397 176.870 0.054 0.000 1.187 441 L CA 0.023 54.899 54.840 0.059 0.000 0.956 441 L CB -2.310 39.793 42.059 0.073 0.000 2.022 441 L HN 0.538 nan 8.230 nan 0.000 0.897 442 G N -0.326 108.505 108.800 0.050 0.000 2.432 442 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 442 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 442 G C 1.288 176.214 174.900 0.043 0.000 1.135 442 G CA 1.380 46.506 45.100 0.044 0.000 0.767 442 G HN 0.479 nan 8.290 nan 0.000 0.550 443 T N 1.326 115.905 114.554 0.041 0.000 2.777 443 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 443 T C 2.378 177.101 174.700 0.039 0.000 1.040 443 T CA 0.958 63.080 62.100 0.036 0.000 1.141 443 T CB -0.132 68.754 68.868 0.029 0.000 0.868 443 T HN 0.271 nan 8.240 nan 0.000 0.444 444 I N 1.671 122.266 120.570 0.041 0.000 2.226 444 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 444 I C 3.031 179.178 176.117 0.051 0.000 1.100 444 I CA 1.064 62.389 61.300 0.043 0.000 1.374 444 I CB -0.565 37.463 38.000 0.046 0.000 1.057 444 I HN 0.211 nan 8.210 nan 0.000 0.413 445 A N 0.873 123.727 122.820 0.057 0.000 1.883 445 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 445 A C 2.542 180.164 177.584 0.063 0.000 1.186 445 A CA 2.128 54.201 52.037 0.061 0.000 0.624 445 A CB -0.938 18.097 19.000 0.059 0.000 0.822 445 A HN 0.441 nan 8.150 nan 0.000 0.444 446 A N -0.571 122.287 122.820 0.063 0.000 1.930 446 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 446 A C 2.244 179.867 177.584 0.065 0.000 1.175 446 A CA 1.484 53.565 52.037 0.073 0.000 0.627 446 A CB -0.415 18.628 19.000 0.071 0.000 0.815 446 A HN 0.558 nan 8.150 nan 0.000 0.443 447 R N -0.582 119.950 120.500 0.053 0.000 2.092 447 R HA 0.052 4.392 4.340 -0.000 0.000 0.231 447 R C 1.958 178.287 176.300 0.048 0.000 1.119 447 R CA 1.207 57.336 56.100 0.048 0.000 0.970 447 R CB -0.409 29.913 30.300 0.036 0.000 0.864 447 R HN 0.492 nan 8.270 nan 0.000 0.440 448 L N -0.263 120.988 121.223 0.048 0.000 2.093 448 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 448 L C 2.722 179.621 176.870 0.049 0.000 1.085 448 L CA 0.724 55.591 54.840 0.045 0.000 0.755 448 L CB -0.489 41.597 42.059 0.046 0.000 0.904 448 L HN 0.370 nan 8.230 nan 0.000 0.435 449 C N 0.368 119.700 119.300 0.053 0.000 2.440 449 C HA -0.156 4.304 4.460 -0.000 0.000 0.278 449 C C 3.099 178.127 174.990 0.064 0.000 1.295 449 C CA 0.887 59.936 59.018 0.051 0.000 1.738 449 C CB -0.542 27.229 27.740 0.051 0.000 1.987 449 C HN 0.495 nan 8.230 nan 0.000 0.492 450 R N 1.254 121.795 120.500 0.069 0.000 2.081 450 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 450 R C 2.108 178.455 176.300 0.079 0.000 1.131 450 R CA 1.966 58.113 56.100 0.079 0.000 0.960 450 R CB -0.800 29.545 30.300 0.075 0.000 0.856 450 R HN 0.529 nan 8.270 nan 0.000 0.436 451 E N 0.760 120.999 120.200 0.065 0.000 2.077 451 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 451 E C 1.843 178.486 176.600 0.072 0.000 0.989 451 E CA 1.389 57.825 56.400 0.060 0.000 0.800 451 E CB -0.109 29.619 29.700 0.046 0.000 0.746 451 E HN 0.433 nan 8.360 nan 0.000 0.452 452 K N 0.308 120.751 120.400 0.071 0.000 2.097 452 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 452 K C 2.310 178.999 176.600 0.148 0.000 1.050 452 K CA 0.809 57.143 56.287 0.079 0.000 0.938 452 K CB -0.135 32.388 32.500 0.040 0.000 0.718 452 K HN 0.090 nan 8.250 nan 0.000 0.442 453 I N 1.475 122.145 120.570 0.168 0.000 2.226 453 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 453 I C 1.601 177.838 176.117 0.200 0.000 1.100 453 I CA 1.199 62.653 61.300 0.258 0.000 1.374 453 I CB -0.238 37.881 38.000 0.197 0.000 1.057 453 I HN 0.145 nan 8.210 nan 0.000 0.413 454 D N 0.516 120.992 120.400 0.127 0.000 2.144 454 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 454 D C 2.329 178.682 176.300 0.088 0.000 0.984 454 D CA 0.900 54.950 54.000 0.084 0.000 0.834 454 D CB -0.205 40.634 40.800 0.064 0.000 0.955 454 D HN 0.187 nan 8.370 nan 0.000 0.465 455 R N -0.101 120.468 120.500 0.115 0.000 2.092 455 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 455 R C 2.124 178.533 176.300 0.181 0.000 1.119 455 R CA 0.435 56.603 56.100 0.113 0.000 0.970 455 R CB -1.035 29.323 30.300 0.096 0.000 0.864 455 R HN 0.341 nan 8.270 nan 0.000 0.440 456 W N 1.952 123.252 121.300 0.000 0.000 2.358 456 W HA -0.093 4.567 4.660 -0.000 0.000 0.303 456 W C 2.093 178.602 176.519 -0.016 0.000 1.208 456 W CA 1.392 58.737 57.345 0.000 0.000 1.274 456 W CB -0.622 28.845 29.460 0.012 0.000 1.138 456 W HN 0.138 nan 8.180 nan 0.000 0.515 457 A N 0.158 122.980 122.820 0.002 0.000 1.933 457 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 457 A C 1.870 179.371 177.584 -0.140 0.000 1.175 457 A CA 2.004 53.931 52.037 -0.184 0.000 0.628 457 A CB -0.776 18.142 19.000 -0.137 0.000 0.814 457 A HN 0.454 nan 8.150 nan 0.000 0.444 458 E N -0.401 119.773 120.200 -0.042 0.000 2.072 458 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 458 E C 1.842 178.426 176.600 -0.026 0.000 0.985 458 E CA 1.123 57.500 56.400 -0.038 0.000 0.801 458 E CB -0.243 29.458 29.700 0.001 0.000 0.750 458 E HN 0.697 nan 8.360 nan 0.000 0.452 459 I N 0.829 121.420 120.570 0.034 0.000 2.226 459 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 459 I C 2.198 178.326 176.117 0.018 0.000 1.100 459 I CA 0.964 62.301 61.300 0.061 0.000 1.374 459 I CB -0.126 37.965 38.000 0.151 0.000 1.057 459 I HN 0.115 nan 8.210 nan 0.000 0.413 460 L N 0.349 121.555 121.223 -0.029 0.000 2.131 460 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 460 L C 2.796 179.559 176.870 -0.179 0.000 1.092 460 L CA 1.152 55.930 54.840 -0.103 0.000 0.759 460 L CB -0.646 41.263 42.059 -0.251 0.000 0.903 460 L HN 0.244 nan 8.230 nan 0.000 0.435 461 A N 0.298 122.984 122.820 -0.223 0.000 1.898 461 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 461 A C 2.201 179.665 177.584 -0.201 0.000 1.181 461 A CA 1.390 53.261 52.037 -0.277 0.000 0.620 461 A CB -0.565 18.279 19.000 -0.261 0.000 0.819 461 A HN 0.340 nan 8.150 nan 0.000 0.442 462 I N -0.826 119.674 120.570 -0.117 0.000 2.226 462 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 462 I C 2.419 178.464 176.117 -0.121 0.000 1.100 462 I CA 1.181 62.436 61.300 -0.075 0.000 1.374 462 I CB -0.271 37.723 38.000 -0.011 0.000 1.057 462 I HN 0.390 nan 8.210 nan 0.000 0.413 463 L N 1.241 122.411 121.223 -0.087 0.000 2.046 463 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 463 L C 2.529 179.339 176.870 -0.101 0.000 1.077 463 L CA 2.122 56.917 54.840 -0.076 0.000 0.747 463 L CB -0.807 41.248 42.059 -0.006 0.000 0.896 463 L HN 0.188 nan 8.230 nan 0.000 0.432 464 A N -0.529 122.228 122.820 -0.105 0.000 1.877 464 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 464 A C 2.260 179.770 177.584 -0.124 0.000 1.186 464 A CA 1.957 53.947 52.037 -0.079 0.000 0.620 464 A CB -0.881 18.036 19.000 -0.139 0.000 0.822 464 A HN 0.498 nan 8.150 nan 0.000 0.443 465 L N -0.892 120.217 121.223 -0.191 0.000 2.046 465 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 465 L C 2.732 179.386 176.870 -0.359 0.000 1.077 465 L CA 1.203 55.943 54.840 -0.167 0.000 0.747 465 L CB -0.718 41.309 42.059 -0.053 0.000 0.896 465 L HN 0.487 nan 8.230 nan 0.000 0.432 466 C N -0.179 118.763 119.300 -0.597 0.000 2.429 466 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 466 C C 2.758 177.541 174.990 -0.346 0.000 1.262 466 C CA 0.517 59.055 59.018 -0.801 0.000 1.733 466 C CB -0.737 26.666 27.740 -0.562 0.000 2.010 466 C HN 0.429 nan 8.230 nan 0.000 0.483 467 L N 0.828 121.941 121.223 -0.184 0.000 2.093 467 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 467 L C 2.842 179.694 176.870 -0.031 0.000 1.085 467 L CA 1.416 56.214 54.840 -0.071 0.000 0.755 467 L CB -0.658 41.393 42.059 -0.014 0.000 0.904 467 L HN 0.336 nan 8.230 nan 0.000 0.435 468 A N -0.348 122.458 122.820 -0.023 0.000 1.902 468 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 468 A C 2.208 179.816 177.584 0.041 0.000 1.181 468 A CA 1.938 53.993 52.037 0.030 0.000 0.623 468 A CB -0.489 18.545 19.000 0.058 0.000 0.818 468 A HN 0.422 nan 8.150 nan 0.000 0.443 469 Q N -0.364 119.457 119.800 0.036 0.000 2.046 469 Q HA 0.003 4.343 4.340 -0.000 0.000 0.200 469 Q C 2.081 178.110 176.000 0.049 0.000 0.975 469 Q CA 2.019 57.879 55.803 0.094 0.000 0.836 469 Q CB -0.500 28.374 28.738 0.228 0.000 0.896 469 Q HN 0.541 nan 8.270 nan 0.000 0.428 470 A N 0.436 123.255 122.820 -0.001 0.000 1.933 470 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 470 A C 2.295 179.883 177.584 0.008 0.000 1.175 470 A CA 1.805 53.841 52.037 -0.002 0.000 0.628 470 A CB -1.198 17.786 19.000 -0.027 0.000 0.814 470 A HN 0.551 nan 8.150 nan 0.000 0.444 471 A N -0.125 122.703 122.820 0.013 0.000 1.902 471 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 471 A C 1.918 179.516 177.584 0.022 0.000 1.181 471 A CA 1.669 53.718 52.037 0.020 0.000 0.623 471 A CB -0.500 18.516 19.000 0.027 0.000 0.818 471 A HN 0.652 nan 8.150 nan 0.000 0.443 472 E N -0.295 119.923 120.200 0.030 0.000 2.107 472 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 472 E C 1.901 178.514 176.600 0.022 0.000 0.982 472 E CA 0.831 57.249 56.400 0.030 0.000 0.809 472 E CB -0.228 29.498 29.700 0.042 0.000 0.756 472 E HN 0.605 nan 8.360 nan 0.000 0.459 473 L N 0.445 121.680 121.223 0.020 0.000 2.093 473 L HA -0.132 4.207 4.340 -0.000 0.000 0.208 473 L C 2.619 179.489 176.870 0.001 0.000 1.085 473 L CA 0.870 55.714 54.840 0.007 0.000 0.755 473 L CB -0.111 41.948 42.059 0.001 0.000 0.904 473 L HN 0.009 nan 8.230 nan 0.000 0.435 474 R N -0.356 120.146 120.500 0.004 0.000 2.080 474 R HA -0.034 4.306 4.340 -0.000 0.000 0.222 474 R C 1.773 178.075 176.300 0.004 0.000 1.107 474 R CA 1.561 57.661 56.100 0.001 0.000 0.980 474 R CB -0.352 29.948 30.300 0.001 0.000 0.879 474 R HN 0.338 nan 8.270 nan 0.000 0.439 475 C N 0.139 119.443 119.300 0.008 0.000 3.183 475 C HA 0.658 5.117 4.460 -0.000 0.000 0.285 475 C C 0.609 175.605 174.990 0.011 0.000 1.313 475 C CA -0.327 58.696 59.018 0.009 0.000 1.711 475 C CB -0.720 27.026 27.740 0.011 0.000 2.135 475 C HN 0.733 nan 8.230 nan 0.000 0.651 476 G N 1.706 110.513 108.800 0.012 0.000 2.758 476 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 476 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 476 G C 0.715 175.626 174.900 0.018 0.000 1.389 476 G CA 0.092 45.200 45.100 0.013 0.000 0.845 476 G HN 0.785 nan 8.290 nan 0.000 0.572 477 S N -0.618 115.093 115.700 0.019 0.000 2.419 477 S HA 0.035 4.505 4.470 -0.000 0.000 0.235 477 S C 2.403 177.016 174.600 0.022 0.000 1.019 477 S CA 1.933 60.147 58.200 0.023 0.000 0.982 477 S CB -0.236 62.977 63.200 0.022 0.000 0.789 477 S HN 2.193 nan 8.310 nan 0.000 0.490 478 G N 0.811 109.622 108.800 0.018 0.000 2.813 478 G HA2 0.341 4.301 3.960 -0.000 0.000 0.209 478 G HA3 0.341 4.301 3.960 -0.000 0.000 0.209 478 G C 0.542 175.452 174.900 0.017 0.000 1.150 478 G CA -0.032 45.078 45.100 0.016 0.000 0.785 478 G HN 0.624 nan 8.290 nan 0.000 0.535 479 L N 0.960 122.193 121.223 0.018 0.000 3.677 479 L HA -0.144 4.196 4.340 -0.000 0.000 0.464 479 L C -0.879 175.999 176.870 0.014 0.000 1.278 479 L CA -0.159 54.692 54.840 0.018 0.000 0.806 479 L CB -1.710 40.362 42.059 0.022 0.000 1.610 479 L HN 0.207 nan 8.230 nan 0.000 0.867 480 D N 1.334 121.741 120.400 0.011 0.000 2.458 480 D HA 0.285 4.925 4.640 -0.000 0.000 0.243 480 D C 1.360 177.664 176.300 0.007 0.000 1.146 480 D CA 1.393 55.398 54.000 0.009 0.000 0.877 480 D CB 1.332 42.136 40.800 0.007 0.000 1.176 480 D HN 0.552 nan 8.370 nan 0.000 0.461 481 G N 1.454 110.258 108.800 0.006 0.000 2.225 481 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 481 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 481 G C 0.482 175.385 174.900 0.006 0.000 0.988 481 G CA 0.153 45.255 45.100 0.003 0.000 0.625 481 G HN 0.516 nan 8.290 nan 0.000 0.527 482 V N 2.557 122.477 119.914 0.010 0.000 2.715 482 V HA 0.488 4.608 4.120 -0.000 0.000 0.299 482 V C 1.485 177.588 176.094 0.015 0.000 1.054 482 V CA 0.167 62.476 62.300 0.015 0.000 1.077 482 V CB 1.384 33.219 31.823 0.019 0.000 0.972 482 V HN 1.059 nan 8.190 nan 0.000 0.484 483 S N 5.060 120.771 115.700 0.019 0.000 2.569 483 S HA 0.123 4.593 4.470 -0.000 0.000 0.274 483 S C -1.710 172.898 174.600 0.014 0.000 1.353 483 S CA -0.617 57.593 58.200 0.017 0.000 1.023 483 S CB 0.461 63.676 63.200 0.025 0.000 0.876 483 S HN 0.580 nan 8.310 nan 0.000 0.540 484 P HA -0.047 nan 4.420 nan 0.000 0.215 484 P C 1.617 178.919 177.300 0.003 0.000 1.153 484 P CA 1.914 65.018 63.100 0.007 0.000 0.853 484 P CB -0.239 31.463 31.700 0.004 0.000 0.788 485 A N -0.274 122.545 122.820 -0.001 0.000 1.898 485 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 485 A C 2.478 180.057 177.584 -0.009 0.000 1.181 485 A CA 2.033 54.062 52.037 -0.014 0.000 0.620 485 A CB -1.853 17.133 19.000 -0.022 0.000 0.819 485 A HN 0.272 nan 8.150 nan 0.000 0.442 486 G N -0.371 108.433 108.800 0.008 0.000 2.402 486 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 486 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 486 G C 1.683 176.598 174.900 0.025 0.000 1.162 486 G CA 1.076 46.188 45.100 0.020 0.000 0.777 486 G HN 0.562 nan 8.290 nan 0.000 0.539 487 K N 0.213 120.626 120.400 0.022 0.000 2.026 487 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 487 K C 2.441 179.058 176.600 0.028 0.000 1.048 487 K CA 1.319 57.621 56.287 0.025 0.000 0.929 487 K CB -0.146 32.366 32.500 0.020 0.000 0.713 487 K HN 0.248 nan 8.250 nan 0.000 0.439 488 K N 1.371 121.782 120.400 0.019 0.000 2.063 488 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 488 K C 2.151 178.771 176.600 0.033 0.000 1.048 488 K CA 1.056 57.354 56.287 0.019 0.000 0.928 488 K CB -0.087 32.414 32.500 0.003 0.000 0.713 488 K HN 0.112 nan 8.250 nan 0.000 0.442 489 L N 0.557 121.797 121.223 0.029 0.000 2.027 489 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 489 L C 2.067 179.002 176.870 0.109 0.000 1.074 489 L CA 1.048 55.924 54.840 0.060 0.000 0.745 489 L CB -0.129 41.948 42.059 0.030 0.000 0.898 489 L HN 0.013 nan 8.230 nan 0.000 0.433 490 V N 0.017 119.981 119.914 0.085 0.000 2.343 490 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 490 V C 2.472 178.620 176.094 0.088 0.000 1.051 490 V CA 2.028 64.382 62.300 0.089 0.000 1.036 490 V CB -0.685 31.177 31.823 0.067 0.000 0.654 490 V HN 0.554 nan 8.190 nan 0.000 0.451 491 Q N 0.005 119.846 119.800 0.069 0.000 2.124 491 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 491 Q C 2.419 178.460 176.000 0.068 0.000 0.977 491 Q CA 1.739 57.578 55.803 0.059 0.000 0.850 491 Q CB -0.436 28.327 28.738 0.042 0.000 0.901 491 Q HN 0.676 nan 8.270 nan 0.000 0.429 492 A N 0.987 123.857 122.820 0.083 0.000 1.902 492 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 492 A C 2.084 179.740 177.584 0.120 0.000 1.181 492 A CA 1.030 53.122 52.037 0.092 0.000 0.623 492 A CB -0.634 18.436 19.000 0.116 0.000 0.818 492 A HN 0.275 nan 8.150 nan 0.000 0.443 493 L N -1.057 120.269 121.223 0.171 0.000 2.046 493 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 493 L C 2.662 179.682 176.870 0.249 0.000 1.077 493 L CA 0.959 55.950 54.840 0.251 0.000 0.747 493 L CB -0.430 41.754 42.059 0.207 0.000 0.896 493 L HN 0.262 nan 8.230 nan 0.000 0.432 494 R N 0.075 120.666 120.500 0.153 0.000 2.293 494 R HA -0.103 4.237 4.340 -0.000 0.000 0.219 494 R C 1.887 178.216 176.300 0.049 0.000 1.091 494 R CA 0.605 56.771 56.100 0.111 0.000 1.004 494 R CB -0.339 30.010 30.300 0.083 0.000 0.865 494 R HN 0.435 nan 8.270 nan 0.000 0.469 495 E N 0.255 120.471 120.200 0.028 0.000 2.204 495 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 495 E C 1.375 177.911 176.600 -0.107 0.000 0.989 495 E CA 0.923 57.307 56.400 -0.027 0.000 0.824 495 E CB 0.382 30.069 29.700 -0.022 0.000 0.756 495 E HN 0.308 nan 8.360 nan 0.000 0.477 496 Q N -1.339 118.350 119.800 -0.185 0.000 2.322 496 Q HA 0.140 4.480 4.340 -0.000 0.000 0.250 496 Q C -0.189 175.373 176.000 -0.731 0.000 0.853 496 Q CA 0.174 55.675 55.803 -0.502 0.000 0.951 496 Q CB 0.743 29.033 28.738 -0.747 0.000 1.114 496 Q HN 0.092 nan 8.270 nan 0.000 0.523 497 F N 3.381 123.325 119.950 -0.010 0.000 2.434 497 F HA 0.393 4.920 4.527 -0.000 0.000 0.355 497 F C -2.050 173.765 175.800 0.025 0.000 1.115 497 F CA -2.537 55.468 58.000 0.008 0.000 1.010 497 F CB 1.416 40.425 39.000 0.015 0.000 1.234 497 F HN -0.162 nan 8.300 nan 0.000 0.439 498 P HA 0.134 nan 4.420 nan 0.000 0.272 498 P C -2.523 174.852 177.300 0.124 0.000 1.230 498 P CA -1.147 62.011 63.100 0.097 0.000 0.788 498 P CB 0.328 32.058 31.700 0.050 0.000 0.949 499 P HA 0.063 nan 4.420 nan 0.000 0.270 499 P C -0.349 177.003 177.300 0.087 0.000 1.223 499 P CA -0.203 62.964 63.100 0.110 0.000 0.785 499 P CB 0.444 32.194 31.700 0.083 0.000 0.923 500 L N 2.179 123.459 121.223 0.095 0.000 2.358 500 L HA 0.160 4.500 4.340 -0.000 0.000 0.274 500 L C 1.233 178.113 176.870 0.018 0.000 1.136 500 L CA 0.440 55.284 54.840 0.007 0.000 0.970 500 L CB -0.685 41.297 42.059 -0.129 0.000 1.314 500 L HN 0.308 nan 8.230 nan 0.000 0.427 501 E N 1.112 121.323 120.200 0.018 0.000 2.371 501 E HA 0.048 4.398 4.350 -0.000 0.000 0.194 501 E C 0.135 176.748 176.600 0.021 0.000 1.012 501 E CA 0.376 56.790 56.400 0.024 0.000 0.860 501 E CB 0.440 30.153 29.700 0.023 0.000 0.811 501 E HN 0.570 nan 8.360 nan 0.000 0.502 502 T N 0.303 114.858 114.554 0.002 0.000 2.942 502 T HA 0.086 4.436 4.350 -0.000 0.000 0.327 502 T C -1.829 172.849 174.700 -0.037 0.000 1.360 502 T CA -0.987 61.112 62.100 -0.002 0.000 1.055 502 T CB 1.293 70.161 68.868 0.001 0.000 1.261 502 T HN -0.221 nan 8.240 nan 0.000 0.485 503 D N 3.043 123.416 120.400 -0.045 0.000 2.571 503 D HA 0.305 4.945 4.640 -0.000 0.000 0.231 503 D C 0.631 176.889 176.300 -0.070 0.000 1.133 503 D CA 0.802 54.754 54.000 -0.080 0.000 0.862 503 D CB 0.324 41.081 40.800 -0.071 0.000 1.179 503 D HN 0.708 nan 8.370 nan 0.000 0.474 504 R N 0.464 120.911 120.500 -0.089 0.000 2.692 504 R HA 0.616 4.956 4.340 -0.000 0.000 0.269 504 R C -3.145 173.117 176.300 -0.063 0.000 1.030 504 R CA -1.711 54.353 56.100 -0.060 0.000 0.882 504 R CB 0.311 30.585 30.300 -0.043 0.000 1.250 504 R HN 0.003 nan 8.270 nan 0.000 0.465 505 P HA 0.123 nan 4.420 nan 0.000 0.267 505 P C -0.302 176.989 177.300 -0.015 0.000 1.205 505 P CA -0.214 62.869 63.100 -0.027 0.000 0.765 505 P CB 0.577 32.268 31.700 -0.014 0.000 0.828 506 L N 1.702 122.917 121.223 -0.012 0.000 2.731 506 L HA 0.173 4.513 4.340 -0.000 0.000 0.240 506 L C 2.312 179.200 176.870 0.031 0.000 1.120 506 L CA 0.383 55.232 54.840 0.015 0.000 0.913 506 L CB -0.315 41.751 42.059 0.013 0.000 1.213 506 L HN 0.531 nan 8.230 nan 0.000 0.515 507 G N 0.261 109.073 108.800 0.019 0.000 2.529 507 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 507 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 507 G C 1.399 176.317 174.900 0.029 0.000 1.177 507 G CA 0.777 45.889 45.100 0.020 0.000 0.773 507 G HN 0.380 nan 8.290 nan 0.000 0.573 508 Q N -0.136 119.686 119.800 0.037 0.000 2.119 508 Q HA -0.068 4.272 4.340 -0.000 0.000 0.201 508 Q C 2.523 178.577 176.000 0.090 0.000 0.972 508 Q CA 1.210 57.043 55.803 0.050 0.000 0.847 508 Q CB -0.096 28.667 28.738 0.042 0.000 0.903 508 Q HN 0.634 nan 8.270 nan 0.000 0.433 509 E N 0.591 120.862 120.200 0.119 0.000 2.072 509 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 509 E C 1.965 178.602 176.600 0.062 0.000 0.985 509 E CA 0.751 57.286 56.400 0.225 0.000 0.801 509 E CB -0.023 29.829 29.700 0.253 0.000 0.750 509 E HN 0.338 nan 8.360 nan 0.000 0.452 510 I N 1.120 121.690 120.570 -0.000 0.000 2.179 510 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 510 I C 2.550 178.638 176.117 -0.048 0.000 1.088 510 I CA 1.045 62.308 61.300 -0.061 0.000 1.357 510 I CB -0.308 37.679 38.000 -0.021 0.000 1.051 510 I HN 0.092 nan 8.210 nan 0.000 0.409 511 A N 0.663 123.484 122.820 0.001 0.000 1.902 511 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 511 A C 2.533 180.132 177.584 0.026 0.000 1.181 511 A CA 1.870 53.913 52.037 0.009 0.000 0.623 511 A CB -0.841 18.172 19.000 0.021 0.000 0.818 511 A HN 0.438 nan 8.150 nan 0.000 0.443 512 A N -0.631 122.235 122.820 0.077 0.000 1.902 512 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 512 A C 2.122 179.795 177.584 0.148 0.000 1.181 512 A CA 1.721 53.838 52.037 0.134 0.000 0.623 512 A CB -0.584 18.547 19.000 0.218 0.000 0.818 512 A HN 0.657 nan 8.150 nan 0.000 0.443 513 L N -0.237 121.023 121.223 0.062 0.000 2.093 513 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 513 L C 2.644 179.429 176.870 -0.141 0.000 1.085 513 L CA 2.036 56.809 54.840 -0.111 0.000 0.755 513 L CB -0.860 40.863 42.059 -0.561 0.000 0.904 513 L HN 0.339 nan 8.230 nan 0.000 0.435 514 A N -1.532 121.204 122.820 -0.141 0.000 1.940 514 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 514 A C 2.257 179.779 177.584 -0.103 0.000 1.176 514 A CA 2.320 54.265 52.037 -0.153 0.000 0.631 514 A CB -1.213 17.728 19.000 -0.098 0.000 0.814 514 A HN 0.507 nan 8.150 nan 0.000 0.446 515 T N -1.451 113.087 114.554 -0.027 0.000 2.788 515 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 515 T C 1.857 176.561 174.700 0.008 0.000 1.044 515 T CA 1.895 63.998 62.100 0.005 0.000 1.139 515 T CB -0.379 68.512 68.868 0.039 0.000 0.867 515 T HN 0.805 nan 8.240 nan 0.000 0.454 516 H N 1.105 120.132 119.070 -0.072 0.000 2.326 516 H HA 0.134 4.690 4.556 -0.000 0.000 0.301 516 H C 2.001 177.247 175.328 -0.136 0.000 1.081 516 H CA 1.148 57.156 56.048 -0.066 0.000 1.334 516 H CB -0.490 29.257 29.762 -0.025 0.000 1.385 516 H HN 0.230 nan 8.280 nan 0.000 0.504 517 L N -0.003 121.016 121.223 -0.340 0.000 2.127 517 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 517 L C 2.222 178.918 176.870 -0.290 0.000 1.089 517 L CA 0.995 55.487 54.840 -0.579 0.000 0.757 517 L CB -0.478 41.077 42.059 -0.840 0.000 0.899 517 L HN 0.338 nan 8.230 nan 0.000 0.434 518 L N -0.820 120.282 121.223 -0.203 0.000 2.376 518 L HA -0.141 4.199 4.340 -0.000 0.000 0.219 518 L C 2.173 179.000 176.870 -0.072 0.000 1.133 518 L CA 0.896 55.684 54.840 -0.087 0.000 0.816 518 L CB -0.170 41.872 42.059 -0.027 0.000 0.933 518 L HN 0.379 nan 8.230 nan 0.000 0.449 519 Q N -1.581 118.086 119.800 -0.222 0.000 2.316 519 Q HA 0.207 4.547 4.340 -0.000 0.000 0.235 519 Q C 0.009 175.572 176.000 -0.729 0.000 0.863 519 Q CA 0.059 55.693 55.803 -0.282 0.000 0.939 519 Q CB 1.042 29.730 28.738 -0.084 0.000 1.108 519 Q HN 0.434 nan 8.270 nan 0.000 0.522 520 Q N -0.032 119.316 119.800 -0.752 0.000 2.416 520 Q HA 0.503 4.843 4.340 -0.000 0.000 0.281 520 Q C -1.224 174.672 176.000 -0.174 0.000 1.067 520 Q CA -0.454 54.989 55.803 -0.601 0.000 0.809 520 Q CB 2.696 31.192 28.738 -0.405 0.000 1.418 520 Q HN -0.067 nan 8.270 nan 0.000 0.411 521 S N 1.800 117.473 115.700 -0.046 0.000 2.681 521 S HA 0.566 5.036 4.470 -0.000 0.000 0.299 521 S C -2.442 171.967 174.600 -0.319 0.000 1.113 521 S CA -1.187 56.935 58.200 -0.130 0.000 1.013 521 S CB 1.059 64.227 63.200 -0.054 0.000 1.076 521 S HN 0.419 nan 8.310 nan 0.000 0.534 522 P HA 0.334 nan 4.420 nan 0.000 0.277 522 P C -1.046 176.065 177.300 -0.316 0.000 1.354 522 P CA 0.023 62.735 63.100 -0.646 0.000 0.891 522 P CB 0.150 31.186 31.700 -1.106 0.000 1.058 523 V N 0.000 119.822 119.914 -0.153 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.245 62.300 -0.092 0.000 1.235 523 V CB 0.000 31.784 31.823 -0.065 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556