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_D 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 32.515 32.500 0.025 0.000 1.064 9 P HA 0.187 nan 4.420 nan 0.000 0.267 9 P C -1.327 175.982 177.300 0.014 0.000 1.201 9 P CA -0.212 62.899 63.100 0.018 0.000 0.775 9 P CB 0.462 32.176 31.700 0.024 0.000 0.854 10 A N 1.608 124.435 122.820 0.011 0.000 2.356 10 A HA 0.531 4.845 4.320 -0.009 0.000 0.310 10 A C -0.942 176.644 177.584 0.005 0.000 1.075 10 A CA -0.589 51.452 52.037 0.006 0.000 0.746 10 A CB 1.214 20.216 19.000 0.005 0.000 1.221 10 A HN 0.326 nan 8.150 nan 0.000 0.443 11 V N 2.693 122.606 119.914 -0.001 0.000 2.350 11 V HA 0.265 4.380 4.120 -0.009 0.000 0.276 11 V C 0.337 176.427 176.094 -0.006 0.000 1.028 11 V CA -0.310 61.989 62.300 -0.003 0.000 0.860 11 V CB 1.103 32.919 31.823 -0.011 0.000 0.990 11 V HN 0.956 nan 8.190 nan 0.000 0.453 12 E N 4.489 124.688 120.200 -0.002 0.000 2.194 12 E HA 0.367 4.711 4.350 -0.009 0.000 0.284 12 E C -0.940 175.658 176.600 -0.004 0.000 1.035 12 E CA -0.758 55.641 56.400 -0.002 0.000 0.836 12 E CB 1.263 30.965 29.700 0.002 0.000 1.070 12 E HN 0.558 nan 8.360 nan 0.000 0.401 13 L N 5.385 126.602 121.223 -0.009 0.000 2.264 13 L HA 0.291 4.626 4.340 -0.009 0.000 0.289 13 L C -0.225 176.643 176.870 -0.004 0.000 1.044 13 L CA 0.425 55.258 54.840 -0.012 0.000 0.807 13 L CB 1.307 43.353 42.059 -0.022 0.000 1.192 13 L HN 0.735 nan 8.230 nan 0.000 0.425 14 D N 2.708 123.111 120.400 0.005 0.000 3.136 14 D HA 0.194 4.829 4.640 -0.009 0.000 0.254 14 D C 1.323 177.632 176.300 0.016 0.000 1.563 14 D CA 0.839 54.846 54.000 0.011 0.000 1.225 14 D CB 0.712 41.522 40.800 0.018 0.000 1.079 14 D HN 0.593 nan 8.370 nan 0.000 0.314 15 R N -1.800 118.720 120.500 0.034 0.000 2.320 15 R HA 0.232 4.567 4.340 -0.009 0.000 0.193 15 R C 0.133 176.480 176.300 0.078 0.000 0.885 15 R CA -0.197 55.931 56.100 0.046 0.000 1.085 15 R CB 0.653 30.984 30.300 0.051 0.000 1.253 15 R HN 0.180 nan 8.270 nan 0.000 0.636 16 H N 0.385 119.448 119.070 -0.012 0.000 2.495 16 H HA 0.565 5.114 4.556 -0.010 0.000 0.348 16 H C -1.442 173.880 175.328 -0.010 0.000 1.113 16 H CA -0.710 55.331 56.048 -0.013 0.000 1.195 16 H CB 1.483 31.238 29.762 -0.012 0.000 1.521 16 H HN 0.016 nan 8.280 nan 0.000 0.509 17 I N 4.397 124.628 120.570 -0.565 0.000 2.582 17 I HA 0.267 4.432 4.170 -0.009 0.000 0.292 17 I C -1.147 174.682 176.117 -0.479 0.000 1.066 17 I CA -0.865 60.231 61.300 -0.339 0.000 1.053 17 I CB 1.465 39.353 38.000 -0.187 0.000 1.241 17 I HN 0.840 nan 8.210 nan 0.000 0.421 18 D N 6.029 126.313 120.400 -0.194 0.000 2.423 18 D HA 0.221 4.855 4.640 -0.009 0.000 0.255 18 D C 1.002 177.272 176.300 -0.050 0.000 1.174 18 D CA -0.579 53.371 54.000 -0.083 0.000 1.008 18 D CB 0.983 41.814 40.800 0.051 0.000 1.101 18 D HN 0.498 nan 8.370 nan 0.000 0.516 19 L N -0.405 120.815 121.223 -0.005 0.000 2.079 19 L HA -0.149 4.186 4.340 -0.009 0.000 0.210 19 L C 1.458 178.365 176.870 0.061 0.000 1.081 19 L CA 1.416 56.271 54.840 0.026 0.000 0.752 19 L CB -0.476 41.611 42.059 0.047 0.000 0.896 19 L HN 0.440 nan 8.230 nan 0.000 0.433 20 D N -0.262 120.175 120.400 0.061 0.000 2.117 20 D HA -0.168 4.467 4.640 -0.009 0.000 0.198 20 D C 2.347 178.687 176.300 0.067 0.000 0.982 20 D CA 1.028 55.080 54.000 0.086 0.000 0.828 20 D CB -0.092 40.750 40.800 0.070 0.000 0.967 20 D HN 0.384 nan 8.370 nan 0.000 0.464 21 Q N 0.278 120.097 119.800 0.032 0.000 2.084 21 Q HA -0.060 4.274 4.340 -0.009 0.000 0.202 21 Q C 2.224 178.221 176.000 -0.005 0.000 0.978 21 Q CA 1.355 57.164 55.803 0.011 0.000 0.844 21 Q CB -0.107 28.626 28.738 -0.009 0.000 0.898 21 Q HN 0.210 nan 8.270 nan 0.000 0.426 22 A N 0.905 123.717 122.820 -0.014 0.000 1.877 22 A HA -0.249 4.065 4.320 -0.009 0.000 0.216 22 A C 1.966 179.527 177.584 -0.038 0.000 1.186 22 A CA 1.682 53.699 52.037 -0.035 0.000 0.620 22 A CB -0.869 18.110 19.000 -0.035 0.000 0.822 22 A HN 0.451 nan 8.150 nan 0.000 0.443 23 H N 0.004 119.021 119.070 -0.088 0.000 2.423 23 H HA 0.015 4.566 4.556 -0.010 0.000 0.297 23 H C 2.252 177.496 175.328 -0.140 0.000 1.075 23 H CA 1.476 57.433 56.048 -0.152 0.000 1.342 23 H CB -0.183 29.400 29.762 -0.298 0.000 1.395 23 H HN 0.408 nan 8.280 nan 0.000 0.530 24 A N 0.452 123.276 122.820 0.007 0.000 1.902 24 A HA -0.111 4.204 4.320 -0.009 0.000 0.217 24 A C 2.845 180.394 177.584 -0.057 0.000 1.181 24 A CA 1.684 53.726 52.037 0.007 0.000 0.623 24 A CB -0.854 18.169 19.000 0.037 0.000 0.818 24 A HN 0.290 nan 8.150 nan 0.000 0.443 25 V N -0.326 119.541 119.914 -0.078 0.000 2.323 25 V HA -0.178 3.937 4.120 -0.009 0.000 0.244 25 V C 3.053 179.051 176.094 -0.161 0.000 1.041 25 V CA 1.794 64.040 62.300 -0.091 0.000 1.025 25 V CB -1.222 30.552 31.823 -0.082 0.000 0.656 25 V HN 0.602 nan 8.190 nan 0.000 0.451 26 A N 0.810 123.492 122.820 -0.229 0.000 1.940 26 A HA -0.194 4.121 4.320 -0.009 0.000 0.219 26 A C 2.376 179.736 177.584 -0.374 0.000 1.176 26 A CA 2.203 54.047 52.037 -0.322 0.000 0.631 26 A CB -0.652 18.159 19.000 -0.315 0.000 0.814 26 A HN 0.693 nan 8.150 nan 0.000 0.446 27 S N -1.935 113.571 115.700 -0.323 0.000 2.603 27 S HA 0.374 4.838 4.470 -0.009 0.000 0.220 27 S C 1.386 176.111 174.600 0.208 0.000 0.967 27 S CA 1.009 59.172 58.200 -0.063 0.000 0.920 27 S CB -0.356 62.726 63.200 -0.196 0.000 0.773 27 S HN 1.930 nan 8.310 nan 0.000 0.529 28 G N 0.445 109.294 108.800 0.083 0.000 2.162 28 G HA2 -0.227 3.728 3.960 -0.009 0.000 0.260 28 G HA3 -0.227 3.728 3.960 -0.009 0.000 0.260 28 G C 0.846 175.815 174.900 0.115 0.000 0.976 28 G CA 0.134 45.341 45.100 0.178 0.000 0.655 28 G HN 0.979 nan 8.290 nan 0.000 0.533 29 G N -0.520 108.324 108.800 0.073 0.000 2.572 29 G HA2 0.566 4.521 3.960 -0.009 0.000 0.216 29 G HA3 0.566 4.521 3.960 -0.009 0.000 0.216 29 G C 0.626 175.552 174.900 0.045 0.000 1.133 29 G CA 1.708 46.847 45.100 0.065 0.000 0.791 29 G HN 1.831 nan 8.290 nan 0.000 0.538 30 A N -0.466 122.371 122.820 0.028 0.000 2.515 30 A HA 0.784 5.099 4.320 -0.009 0.000 0.298 30 A C -0.250 177.337 177.584 0.006 0.000 1.059 30 A CA -0.833 51.215 52.037 0.017 0.000 0.698 30 A CB 1.541 20.549 19.000 0.013 0.000 1.289 30 A HN 0.194 nan 8.150 nan 0.000 0.404 31 R N -0.008 120.496 120.500 0.006 0.000 2.546 31 R HA 0.662 4.997 4.340 -0.009 0.000 0.266 31 R C -0.718 175.576 176.300 -0.010 0.000 1.086 31 R CA -0.389 55.710 56.100 -0.001 0.000 1.160 31 R CB 1.117 31.419 30.300 0.003 0.000 1.138 31 R HN 0.681 nan 8.270 nan 0.000 0.567 32 I N 0.785 121.346 120.570 -0.016 0.000 2.545 32 I HA 0.390 4.554 4.170 -0.009 0.000 0.292 32 I C -1.443 174.665 176.117 -0.016 0.000 1.040 32 I CA -0.885 60.403 61.300 -0.020 0.000 1.068 32 I CB 1.945 39.926 38.000 -0.032 0.000 1.251 32 I HN 0.279 nan 8.210 nan 0.000 0.424 33 V N 8.056 127.962 119.914 -0.013 0.000 2.709 33 V HA 0.500 4.615 4.120 -0.009 0.000 0.308 33 V C -1.361 174.726 176.094 -0.011 0.000 1.062 33 V CA -0.693 61.601 62.300 -0.011 0.000 0.901 33 V CB 2.096 33.915 31.823 -0.006 0.000 1.003 33 V HN 0.654 nan 8.190 nan 0.000 0.425 34 L N 6.642 127.858 121.223 -0.012 0.000 2.281 34 L HA 0.756 5.091 4.340 -0.009 0.000 0.285 34 L C 0.726 177.592 176.870 -0.007 0.000 1.074 34 L CA 0.647 55.481 54.840 -0.011 0.000 0.817 34 L CB 0.818 42.868 42.059 -0.013 0.000 1.168 34 L HN 0.919 nan 8.230 nan 0.000 0.434 35 A N 6.895 129.712 122.820 -0.005 0.000 2.425 35 A HA 0.364 4.679 4.320 -0.009 0.000 0.242 35 A C -1.565 176.018 177.584 -0.002 0.000 1.077 35 A CA -0.766 51.270 52.037 -0.002 0.000 0.781 35 A CB -0.357 18.644 19.000 0.002 0.000 1.020 35 A HN 0.785 nan 8.150 nan 0.000 0.494 36 P HA -0.156 nan 4.420 nan 0.000 0.216 36 P C -1.454 175.845 177.300 -0.002 0.000 1.157 36 P CA 1.897 64.996 63.100 -0.002 0.000 0.880 36 P CB -0.763 30.937 31.700 -0.001 0.000 0.791 37 P HA -0.136 nan 4.420 nan 0.000 0.216 37 P C 1.380 178.681 177.300 0.001 0.000 1.150 37 P CA 1.921 65.022 63.100 0.001 0.000 0.837 37 P CB -0.593 31.110 31.700 0.004 0.000 0.786 38 A N -0.299 122.521 122.820 0.000 0.000 1.897 38 A HA -0.170 4.145 4.320 -0.009 0.000 0.215 38 A C 2.395 179.976 177.584 -0.005 0.000 1.181 38 A CA 1.253 53.289 52.037 -0.001 0.000 0.620 38 A CB -1.070 17.928 19.000 -0.003 0.000 0.821 38 A HN 0.002 nan 8.150 nan 0.000 0.443 39 R N -0.202 120.294 120.500 -0.007 0.000 2.081 39 R HA -0.169 4.166 4.340 -0.009 0.000 0.235 39 R C 1.290 177.583 176.300 -0.011 0.000 1.131 39 R CA 1.921 58.014 56.100 -0.011 0.000 0.960 39 R CB -0.331 29.962 30.300 -0.011 0.000 0.856 39 R HN 0.464 nan 8.270 nan 0.000 0.436 40 D N 0.165 120.561 120.400 -0.007 0.000 2.144 40 D HA -0.168 4.467 4.640 -0.009 0.000 0.200 40 D C 1.997 178.294 176.300 -0.005 0.000 0.978 40 D CA 1.409 55.405 54.000 -0.006 0.000 0.833 40 D CB -0.186 40.612 40.800 -0.003 0.000 0.961 40 D HN 0.470 nan 8.370 nan 0.000 0.470 41 R N 0.382 120.881 120.500 -0.001 0.000 2.148 41 R HA 0.007 4.342 4.340 -0.009 0.000 0.223 41 R C 2.088 178.389 176.300 0.001 0.000 1.088 41 R CA 1.025 57.127 56.100 0.003 0.000 0.985 41 R CB -0.810 29.494 30.300 0.007 0.000 0.880 41 R HN 0.075 nan 8.270 nan 0.000 0.451 42 C N 0.854 120.151 119.300 -0.004 0.000 2.457 42 C HA 0.155 4.609 4.460 -0.009 0.000 0.278 42 C C 2.623 177.600 174.990 -0.021 0.000 1.309 42 C CA 0.394 59.407 59.018 -0.009 0.000 1.735 42 C CB -0.751 26.980 27.740 -0.014 0.000 1.992 42 C HN 0.526 nan 8.230 nan 0.000 0.493 43 R N 1.077 121.563 120.500 -0.023 0.000 2.096 43 R HA -0.092 4.243 4.340 -0.009 0.000 0.235 43 R C 2.340 178.625 176.300 -0.026 0.000 1.127 43 R CA 1.517 57.600 56.100 -0.029 0.000 0.968 43 R CB -0.412 29.875 30.300 -0.023 0.000 0.861 43 R HN 0.546 nan 8.270 nan 0.000 0.440 44 A N 0.214 123.025 122.820 -0.016 0.000 1.898 44 A HA -0.163 4.152 4.320 -0.009 0.000 0.216 44 A C 2.176 179.748 177.584 -0.020 0.000 1.181 44 A CA 1.745 53.774 52.037 -0.013 0.000 0.620 44 A CB -0.514 18.484 19.000 -0.002 0.000 0.819 44 A HN 0.282 nan 8.150 nan 0.000 0.442 45 S N -0.836 114.854 115.700 -0.016 0.000 2.383 45 S HA -0.182 4.283 4.470 -0.009 0.000 0.227 45 S C 2.008 176.557 174.600 -0.084 0.000 1.026 45 S CA 1.515 59.703 58.200 -0.021 0.000 0.981 45 S CB -0.319 62.895 63.200 0.022 0.000 0.818 45 S HN 0.672 nan 8.310 nan 0.000 0.472 46 E N 0.352 120.510 120.200 -0.071 0.000 2.077 46 E HA -0.132 4.212 4.350 -0.009 0.000 0.193 46 E C 2.070 178.615 176.600 -0.091 0.000 0.989 46 E CA 1.059 57.405 56.400 -0.090 0.000 0.800 46 E CB -0.337 29.316 29.700 -0.078 0.000 0.746 46 E HN 0.603 nan 8.360 nan 0.000 0.452 47 A N 1.288 124.067 122.820 -0.067 0.000 1.930 47 A HA -0.156 4.159 4.320 -0.009 0.000 0.217 47 A C 2.136 179.671 177.584 -0.082 0.000 1.175 47 A CA 1.254 53.258 52.037 -0.054 0.000 0.627 47 A CB -0.395 18.585 19.000 -0.032 0.000 0.815 47 A HN 0.173 nan 8.150 nan 0.000 0.443 48 R N -1.150 119.287 120.500 -0.106 0.000 2.096 48 R HA -0.100 4.234 4.340 -0.009 0.000 0.235 48 R C 2.083 178.221 176.300 -0.269 0.000 1.127 48 R CA 1.375 57.395 56.100 -0.133 0.000 0.968 48 R CB -0.594 29.651 30.300 -0.092 0.000 0.861 48 R HN 0.496 nan 8.270 nan 0.000 0.440 49 L N 0.619 121.594 121.223 -0.414 0.000 2.046 49 L HA -0.018 4.317 4.340 -0.009 0.000 0.208 49 L C 2.139 178.865 176.870 -0.240 0.000 1.077 49 L CA 2.052 56.566 54.840 -0.544 0.000 0.747 49 L CB -0.956 40.806 42.059 -0.495 0.000 0.896 49 L HN 0.156 nan 8.230 nan 0.000 0.432 50 G N -1.051 107.665 108.800 -0.141 0.000 2.418 50 G HA2 -0.253 3.702 3.960 -0.009 0.000 0.217 50 G HA3 -0.253 3.702 3.960 -0.009 0.000 0.217 50 G C 1.592 176.459 174.900 -0.054 0.000 1.158 50 G CA 0.812 45.873 45.100 -0.066 0.000 0.771 50 G HN 0.637 nan 8.290 nan 0.000 0.545 51 A N 0.078 122.861 122.820 -0.061 0.000 1.898 51 A HA 0.109 4.423 4.320 -0.009 0.000 0.216 51 A C 2.594 180.168 177.584 -0.018 0.000 1.181 51 A CA 1.701 53.719 52.037 -0.031 0.000 0.620 51 A CB -0.615 18.371 19.000 -0.025 0.000 0.819 51 A HN 0.244 nan 8.150 nan 0.000 0.442 52 V N 0.281 120.174 119.914 -0.036 0.000 2.343 52 V HA -0.276 3.839 4.120 -0.009 0.000 0.247 52 V C 2.406 178.518 176.094 0.029 0.000 1.051 52 V CA 2.103 64.414 62.300 0.019 0.000 1.036 52 V CB -0.605 31.238 31.823 0.032 0.000 0.654 52 V HN 0.578 nan 8.190 nan 0.000 0.451 53 I N -0.675 119.895 120.570 -0.001 0.000 2.286 53 I HA -0.188 3.976 4.170 -0.009 0.000 0.245 53 I C 2.701 178.822 176.117 0.008 0.000 1.104 53 I CA 1.322 62.628 61.300 0.010 0.000 1.397 53 I CB -0.422 37.575 38.000 -0.005 0.000 1.072 53 I HN 0.215 nan 8.210 nan 0.000 0.417 54 R N 0.910 121.409 120.500 -0.001 0.000 2.120 54 R HA -0.151 4.184 4.340 -0.009 0.000 0.234 54 R C 1.557 177.862 176.300 0.008 0.000 1.123 54 R CA 1.209 57.309 56.100 0.000 0.000 0.975 54 R CB -0.245 30.053 30.300 -0.004 0.000 0.866 54 R HN 0.484 nan 8.270 nan 0.000 0.446 55 E N 0.042 120.251 120.200 0.017 0.000 2.489 55 E HA 0.140 4.484 4.350 -0.009 0.000 0.193 55 E C 0.287 176.906 176.600 0.032 0.000 1.057 55 E CA 0.295 56.709 56.400 0.024 0.000 0.866 55 E CB 0.540 30.259 29.700 0.031 0.000 0.916 55 E HN 0.302 nan 8.360 nan 0.000 0.500 56 A N 2.146 124.985 122.820 0.032 0.000 2.783 56 A HA -0.233 4.081 4.320 -0.009 0.000 0.292 56 A C 0.129 177.750 177.584 0.062 0.000 1.495 56 A CA 0.569 52.627 52.037 0.036 0.000 0.787 56 A CB -1.323 17.687 19.000 0.017 0.000 1.017 56 A HN 0.152 nan 8.150 nan 0.000 0.516 57 R N 0.092 120.646 120.500 0.090 0.000 2.679 57 R HA 0.090 4.425 4.340 -0.009 0.000 0.268 57 R C 0.520 176.934 176.300 0.190 0.000 1.044 57 R CA -0.066 56.113 56.100 0.132 0.000 1.105 57 R CB 0.082 30.472 30.300 0.149 0.000 0.989 57 R HN 0.715 nan 8.270 nan 0.000 0.447 58 H N 1.837 120.948 119.070 0.069 0.000 3.160 58 H HA 0.215 4.767 4.556 -0.006 0.000 0.257 58 H C -0.863 174.534 175.328 0.116 0.000 1.140 58 H CA -0.392 55.688 56.048 0.054 0.000 1.492 58 H CB 0.208 29.975 29.762 0.009 0.000 1.529 58 H HN 0.047 nan 8.280 nan 0.000 0.490 59 V N 6.149 126.244 119.914 0.302 0.000 2.709 59 V HA 0.004 4.119 4.120 -0.009 0.000 0.308 59 V C -0.756 175.541 176.094 0.338 0.000 1.062 59 V CA -1.013 61.495 62.300 0.347 0.000 0.901 59 V CB 1.466 33.494 31.823 0.341 0.000 1.003 59 V HN 0.637 nan 8.190 nan 0.000 0.425 60 Y N 3.545 124.069 120.300 0.373 0.000 2.721 60 Y HA 0.388 4.939 4.550 0.001 0.000 0.329 60 Y C 1.328 177.301 175.900 0.122 0.000 1.211 60 Y CA 1.695 59.908 58.100 0.189 0.000 1.512 60 Y CB 0.501 39.123 38.460 0.270 0.000 1.249 60 Y HN 1.044 nan 8.280 nan 0.000 0.549 61 G N 4.092 112.589 108.800 -0.504 0.000 2.225 61 G HA2 -0.295 3.660 3.960 -0.009 0.000 0.254 61 G HA3 -0.295 3.660 3.960 -0.009 0.000 0.254 61 G C 0.608 175.452 174.900 -0.092 0.000 0.988 61 G CA 0.540 45.432 45.100 -0.347 0.000 0.625 61 G HN 0.669 nan 8.290 nan 0.000 0.527 62 L N -0.066 121.147 121.223 -0.017 0.000 2.577 62 L HA 0.300 4.635 4.340 -0.009 0.000 0.225 62 L C 2.080 178.952 176.870 0.004 0.000 1.053 62 L CA 1.534 56.397 54.840 0.038 0.000 0.866 62 L CB 0.534 42.664 42.059 0.118 0.000 1.132 62 L HN 0.449 nan 8.230 nan 0.000 0.486 63 T N -3.976 110.580 114.554 0.004 0.000 3.403 63 T HA 0.194 4.539 4.350 -0.009 0.000 0.308 63 T C 0.205 174.887 174.700 -0.030 0.000 0.952 63 T CA 0.095 62.195 62.100 -0.001 0.000 0.970 63 T CB 0.023 68.923 68.868 0.054 0.000 1.189 63 T HN 0.176 nan 8.240 nan 0.000 0.528 64 T N -1.946 112.533 114.554 -0.125 0.000 2.841 64 T HA 0.784 5.129 4.350 -0.009 0.000 0.296 64 T C 0.504 174.941 174.700 -0.439 0.000 1.166 64 T CA -0.295 61.707 62.100 -0.164 0.000 1.007 64 T CB 1.424 70.284 68.868 -0.012 0.000 1.253 64 T HN 0.310 nan 8.240 nan 0.000 0.511 65 G N -0.226 108.363 108.800 -0.351 0.000 2.553 65 G HA2 0.572 4.526 3.960 -0.009 0.000 0.278 65 G HA3 0.572 4.526 3.960 -0.009 0.000 0.278 65 G C -1.095 173.400 174.900 -0.675 0.000 1.349 65 G CA -0.798 44.018 45.100 -0.473 0.000 1.037 65 G HN 0.544 nan 8.290 nan 0.000 0.508 66 F N -0.763 119.133 119.950 -0.090 0.000 2.470 66 F HA 0.605 5.125 4.527 -0.012 0.000 0.329 66 F C 1.174 177.067 175.800 0.154 0.000 1.072 66 F CA 0.413 58.409 58.000 -0.006 0.000 0.989 66 F CB 1.411 40.417 39.000 0.009 0.000 1.193 66 F HN 1.025 nan 8.300 nan 0.000 0.481 67 G N 2.053 111.160 108.800 0.512 0.000 2.596 67 G HA2 -0.269 3.686 3.960 -0.009 0.000 0.295 67 G HA3 -0.269 3.686 3.960 -0.009 0.000 0.295 67 G C -1.711 173.304 174.900 0.191 0.000 1.240 67 G CA -0.006 45.257 45.100 0.271 0.000 0.985 67 G HN 0.554 nan 8.290 nan 0.000 0.555 68 P HA 0.077 nan 4.420 nan 0.000 0.234 68 P C 1.652 178.991 177.300 0.064 0.000 1.167 68 P CA 0.975 64.121 63.100 0.077 0.000 0.763 68 P CB -0.075 31.657 31.700 0.053 0.000 0.835 69 L N -1.032 120.231 121.223 0.067 0.000 2.591 69 L HA 0.201 4.535 4.340 -0.009 0.000 0.228 69 L C 2.326 179.205 176.870 0.015 0.000 1.133 69 L CA 0.168 55.024 54.840 0.027 0.000 0.880 69 L CB -0.610 41.451 42.059 0.003 0.000 1.033 69 L HN -0.087 nan 8.230 nan 0.000 0.450 70 A N 1.420 124.283 122.820 0.072 0.000 2.125 70 A HA -0.186 4.129 4.320 -0.009 0.000 0.219 70 A C 1.973 179.598 177.584 0.069 0.000 1.156 70 A CA 1.499 53.588 52.037 0.087 0.000 0.671 70 A CB -0.529 18.621 19.000 0.251 0.000 0.794 70 A HN 0.653 nan 8.150 nan 0.000 0.459 71 N N -0.468 118.263 118.700 0.051 0.000 2.571 71 N HA -0.057 4.678 4.740 -0.009 0.000 0.189 71 N C 0.041 175.557 175.510 0.010 0.000 1.154 71 N CA 0.321 53.395 53.050 0.041 0.000 0.907 71 N CB -0.236 38.269 38.487 0.030 0.000 0.977 71 N HN 0.198 nan 8.380 nan 0.000 0.449 72 R N 1.040 121.534 120.500 -0.009 0.000 2.230 72 R HA 0.384 4.719 4.340 -0.009 0.000 0.337 72 R C -0.189 176.079 176.300 -0.054 0.000 1.063 72 R CA -0.314 55.765 56.100 -0.035 0.000 0.935 72 R CB 0.615 30.890 30.300 -0.043 0.000 1.121 72 R HN 0.154 nan 8.270 nan 0.000 0.486 73 L N 3.958 125.146 121.223 -0.059 0.000 2.439 73 L HA 0.307 4.642 4.340 -0.009 0.000 0.269 73 L C 0.199 177.024 176.870 -0.076 0.000 1.179 73 L CA -0.183 54.608 54.840 -0.081 0.000 0.828 73 L CB 0.434 42.419 42.059 -0.124 0.000 1.106 73 L HN 0.340 nan 8.230 nan 0.000 0.467 74 I N 0.905 121.429 120.570 -0.077 0.000 2.646 74 I HA 0.304 4.469 4.170 -0.009 0.000 0.299 74 I C 0.220 176.307 176.117 -0.050 0.000 1.036 74 I CA -0.436 60.824 61.300 -0.067 0.000 1.074 74 I CB 1.828 39.776 38.000 -0.086 0.000 1.258 74 I HN 0.510 nan 8.210 nan 0.000 0.430 75 S N 2.727 118.404 115.700 -0.039 0.000 2.601 75 S HA 0.298 4.763 4.470 -0.009 0.000 0.271 75 S C 1.338 175.925 174.600 -0.023 0.000 1.305 75 S CA -0.163 58.020 58.200 -0.030 0.000 1.022 75 S CB 1.420 64.605 63.200 -0.025 0.000 0.940 75 S HN 0.911 nan 8.310 nan 0.000 0.525 76 G N 1.131 109.920 108.800 -0.017 0.000 2.498 76 G HA2 -0.181 3.773 3.960 -0.009 0.000 0.219 76 G HA3 -0.181 3.773 3.960 -0.009 0.000 0.219 76 G C 1.040 175.933 174.900 -0.013 0.000 1.119 76 G CA 0.632 45.725 45.100 -0.012 0.000 0.766 76 G HN 0.886 nan 8.290 nan 0.000 0.552 77 E N -0.040 120.152 120.200 -0.014 0.000 2.511 77 E HA 0.017 4.362 4.350 -0.009 0.000 0.196 77 E C 0.775 177.369 176.600 -0.011 0.000 1.066 77 E CA 0.404 56.797 56.400 -0.012 0.000 0.871 77 E CB -0.012 29.681 29.700 -0.012 0.000 0.863 77 E HN 0.312 nan 8.360 nan 0.000 0.520 78 N N 0.392 119.085 118.700 -0.012 0.000 2.194 78 N HA 0.067 4.802 4.740 -0.009 0.000 0.231 78 N C 1.081 176.587 175.510 -0.007 0.000 1.247 78 N CA 0.051 53.096 53.050 -0.009 0.000 0.884 78 N CB 1.338 39.818 38.487 -0.012 0.000 1.146 78 N HN -0.001 nan 8.380 nan 0.000 0.516 79 V N 1.320 121.229 119.914 -0.007 0.000 2.343 79 V HA -0.189 3.926 4.120 -0.009 0.000 0.247 79 V C 2.367 178.469 176.094 0.013 0.000 1.051 79 V CA 1.628 63.928 62.300 -0.000 0.000 1.036 79 V CB -0.298 31.527 31.823 0.003 0.000 0.654 79 V HN 0.261 nan 8.190 nan 0.000 0.451 80 R N -0.301 120.202 120.500 0.005 0.000 2.096 80 R HA -0.124 4.211 4.340 -0.009 0.000 0.235 80 R C 2.403 178.705 176.300 0.003 0.000 1.127 80 R CA 1.850 57.952 56.100 0.003 0.000 0.968 80 R CB -0.670 29.627 30.300 -0.005 0.000 0.861 80 R HN 0.493 nan 8.270 nan 0.000 0.440 81 T N 1.798 116.357 114.554 0.008 0.000 2.777 81 T HA -0.105 4.240 4.350 -0.009 0.000 0.266 81 T C 1.741 176.459 174.700 0.030 0.000 1.040 81 T CA 0.902 63.011 62.100 0.014 0.000 1.141 81 T CB -0.189 68.690 68.868 0.019 0.000 0.868 81 T HN 0.081 nan 8.240 nan 0.000 0.444 82 L N 1.471 122.720 121.223 0.044 0.000 1.989 82 L HA -0.151 4.184 4.340 -0.009 0.000 0.211 82 L C 2.379 179.364 176.870 0.193 0.000 1.071 82 L CA 1.861 56.761 54.840 0.099 0.000 0.749 82 L CB -0.689 41.389 42.059 0.032 0.000 0.890 82 L HN 0.250 nan 8.230 nan 0.000 0.431 83 Q N -0.877 118.998 119.800 0.126 0.000 2.230 83 Q HA -0.060 4.274 4.340 -0.009 0.000 0.202 83 Q C 2.184 178.151 176.000 -0.055 0.000 0.963 83 Q CA 1.093 56.950 55.803 0.091 0.000 0.866 83 Q CB -0.261 28.518 28.738 0.068 0.000 0.931 83 Q HN 0.706 nan 8.270 nan 0.000 0.452 84 A N 1.726 124.490 122.820 -0.093 0.000 1.898 84 A HA -0.159 4.156 4.320 -0.009 0.000 0.216 84 A C 1.743 179.041 177.584 -0.477 0.000 1.181 84 A CA 1.261 53.135 52.037 -0.271 0.000 0.620 84 A CB -0.258 18.629 19.000 -0.189 0.000 0.819 84 A HN 0.249 nan 8.150 nan 0.000 0.442 85 N N -0.248 118.351 118.700 -0.170 0.000 2.396 85 N HA -0.074 4.661 4.740 -0.009 0.000 0.180 85 N C 1.513 177.065 175.510 0.070 0.000 1.028 85 N CA 1.047 54.092 53.050 -0.008 0.000 0.893 85 N CB -0.409 38.157 38.487 0.132 0.000 0.967 85 N HN 0.453 nan 8.380 nan 0.000 0.440 86 L N 0.850 122.060 121.223 -0.022 0.000 1.994 86 L HA -0.085 4.249 4.340 -0.009 0.000 0.208 86 L C 1.915 178.532 176.870 -0.421 0.000 1.071 86 L CA 1.468 56.152 54.840 -0.259 0.000 0.745 86 L CB -0.739 40.946 42.059 -0.624 0.000 0.892 86 L HN -0.123 nan 8.230 nan 0.000 0.431 87 V N -0.167 119.546 119.914 -0.336 0.000 2.392 87 V HA -0.349 3.765 4.120 -0.009 0.000 0.249 87 V C 2.402 178.367 176.094 -0.216 0.000 1.059 87 V CA 2.248 64.365 62.300 -0.304 0.000 1.051 87 V CB -1.056 30.616 31.823 -0.252 0.000 0.658 87 V HN 0.632 nan 8.190 nan 0.000 0.455 88 H N -0.377 118.597 119.070 -0.161 0.000 2.293 88 H HA -0.180 4.371 4.556 -0.009 0.000 0.300 88 H C 2.380 177.643 175.328 -0.109 0.000 1.082 88 H CA 1.655 57.637 56.048 -0.110 0.000 1.308 88 H CB -0.234 29.513 29.762 -0.025 0.000 1.375 88 H HN 0.658 nan 8.280 nan 0.000 0.495 89 H N 0.678 119.772 119.070 0.040 0.000 2.491 89 H HA -0.049 4.501 4.556 -0.010 0.000 0.290 89 H C 1.847 177.145 175.328 -0.050 0.000 1.050 89 H CA 0.852 56.896 56.048 -0.006 0.000 1.309 89 H CB -0.263 29.499 29.762 0.000 0.000 1.392 89 H HN 0.338 nan 8.280 nan 0.000 0.554 90 L N 0.877 121.722 121.223 -0.629 0.000 2.418 90 L HA 0.151 4.486 4.340 -0.009 0.000 0.218 90 L C 1.893 178.598 176.870 -0.276 0.000 1.125 90 L CA 0.383 54.940 54.840 -0.472 0.000 0.835 90 L CB -0.060 41.668 42.059 -0.552 0.000 0.953 90 L HN 0.253 nan 8.230 nan 0.000 0.454 91 A N 0.126 122.756 122.820 -0.317 0.000 3.029 91 A HA 0.153 4.468 4.320 -0.009 0.000 0.251 91 A C 1.216 178.732 177.584 -0.114 0.000 1.749 91 A CA 0.265 51.987 52.037 -0.524 0.000 1.386 91 A CB -0.655 17.979 19.000 -0.610 0.000 1.043 91 A HN 0.354 nan 8.150 nan 0.000 0.638 92 S N -0.574 115.161 115.700 0.058 0.000 2.601 92 S HA 0.383 4.847 4.470 -0.009 0.000 0.244 92 S C 0.848 175.542 174.600 0.156 0.000 1.001 92 S CA 0.071 58.336 58.200 0.108 0.000 0.984 92 S CB 0.060 63.292 63.200 0.054 0.000 0.842 92 S HN 0.741 nan 8.310 nan 0.000 0.474 93 G N 1.460 110.458 108.800 0.329 0.000 2.527 93 G HA2 0.515 4.469 3.960 -0.009 0.000 0.248 93 G HA3 0.515 4.469 3.960 -0.009 0.000 0.248 93 G C -0.149 174.723 174.900 -0.046 0.000 1.231 93 G CA 0.053 45.197 45.100 0.073 0.000 0.838 93 G HN 1.034 nan 8.290 nan 0.000 0.570 94 V N -1.018 118.860 119.914 -0.058 0.000 3.182 94 V HA 1.035 5.149 4.120 -0.009 0.000 0.308 94 V C 0.550 176.608 176.094 -0.061 0.000 1.240 94 V CA -0.096 62.170 62.300 -0.056 0.000 1.063 94 V CB 1.116 32.926 31.823 -0.021 0.000 1.076 94 V HN 2.547 nan 8.190 nan 0.000 0.446 95 G N 0.607 109.378 108.800 -0.047 0.000 2.661 95 G HA2 0.062 4.017 3.960 -0.009 0.000 0.685 95 G HA3 0.062 4.017 3.960 -0.009 0.000 0.685 95 G C -3.065 171.809 174.900 -0.043 0.000 1.298 95 G CA -0.347 44.730 45.100 -0.037 0.000 0.855 95 G HN 0.998 nan 8.290 nan 0.000 0.560 96 P HA 0.385 nan 4.420 nan 0.000 0.267 96 P C 0.810 178.091 177.300 -0.031 0.000 1.200 96 P CA 0.089 63.176 63.100 -0.021 0.000 0.772 96 P CB 0.719 32.416 31.700 -0.005 0.000 0.855 97 V N 1.662 121.558 119.914 -0.029 0.000 3.051 97 V HA 0.147 4.262 4.120 -0.009 0.000 0.306 97 V C 0.308 176.395 176.094 -0.012 0.000 1.083 97 V CA -0.555 61.723 62.300 -0.037 0.000 1.104 97 V CB -0.292 31.514 31.823 -0.029 0.000 1.027 97 V HN 0.250 nan 8.190 nan 0.000 0.483 98 L N 2.660 123.872 121.223 -0.018 0.000 2.461 98 L HA 0.258 4.592 4.340 -0.009 0.000 0.272 98 L C 0.658 177.548 176.870 0.033 0.000 1.197 98 L CA -0.209 54.633 54.840 0.003 0.000 0.836 98 L CB 0.248 42.298 42.059 -0.014 0.000 1.105 98 L HN 1.035 nan 8.230 nan 0.000 0.477 99 D N 0.001 120.436 120.400 0.059 0.000 2.368 99 D HA -0.123 4.512 4.640 -0.009 0.000 0.240 99 D C 0.720 177.111 176.300 0.151 0.000 1.169 99 D CA -0.412 53.655 54.000 0.112 0.000 0.906 99 D CB 0.530 41.402 40.800 0.119 0.000 1.187 99 D HN 0.547 nan 8.370 nan 0.000 0.435 100 W N 1.226 122.529 121.300 0.004 0.000 2.302 100 W HA -0.295 4.361 4.660 -0.008 0.000 0.320 100 W C 2.173 178.685 176.519 -0.012 0.000 1.241 100 W CA 2.683 60.030 57.345 0.003 0.000 1.264 100 W CB -0.781 28.684 29.460 0.008 0.000 1.154 100 W HN 0.443 nan 8.180 nan 0.000 0.483 101 T N -0.301 114.390 114.554 0.228 0.000 2.746 101 T HA -0.205 4.140 4.350 -0.009 0.000 0.267 101 T C 1.565 176.188 174.700 -0.129 0.000 1.039 101 T CA 2.260 64.340 62.100 -0.034 0.000 1.142 101 T CB -0.863 68.074 68.868 0.114 0.000 0.866 101 T HN 0.184 nan 8.240 nan 0.000 0.444 102 T N 1.935 116.471 114.554 -0.029 0.000 2.777 102 T HA 0.033 4.378 4.350 -0.009 0.000 0.266 102 T C 2.427 177.080 174.700 -0.078 0.000 1.040 102 T CA 1.067 63.147 62.100 -0.033 0.000 1.141 102 T CB -0.509 68.370 68.868 0.017 0.000 0.868 102 T HN 0.423 nan 8.240 nan 0.000 0.444 103 A N 1.783 124.546 122.820 -0.095 0.000 1.902 103 A HA -0.111 4.204 4.320 -0.009 0.000 0.217 103 A C 2.369 179.849 177.584 -0.173 0.000 1.181 103 A CA 1.406 53.374 52.037 -0.115 0.000 0.623 103 A CB -0.458 18.479 19.000 -0.105 0.000 0.818 103 A HN 0.404 nan 8.150 nan 0.000 0.443 104 R N -0.580 119.749 120.500 -0.285 0.000 2.115 104 R HA 0.013 4.348 4.340 -0.009 0.000 0.230 104 R C 2.398 178.564 176.300 -0.223 0.000 1.111 104 R CA 1.020 56.926 56.100 -0.323 0.000 0.976 104 R CB -0.403 29.557 30.300 -0.566 0.000 0.870 104 R HN 0.503 nan 8.270 nan 0.000 0.445 105 A N 1.098 123.803 122.820 -0.191 0.000 1.972 105 A HA -0.185 4.129 4.320 -0.009 0.000 0.219 105 A C 2.104 179.631 177.584 -0.094 0.000 1.169 105 A CA 1.289 53.247 52.037 -0.132 0.000 0.635 105 A CB -0.430 18.514 19.000 -0.093 0.000 0.810 105 A HN 0.328 nan 8.150 nan 0.000 0.446 106 M N -0.343 119.204 119.600 -0.087 0.000 2.099 106 M HA -0.109 4.365 4.480 -0.009 0.000 0.262 106 M C 1.876 178.136 176.300 -0.067 0.000 1.067 106 M CA 1.905 57.166 55.300 -0.064 0.000 1.124 106 M CB -0.211 32.355 32.600 -0.057 0.000 1.353 106 M HN 0.187 nan 8.290 nan 0.000 0.410 107 V N 1.126 120.989 119.914 -0.084 0.000 2.332 107 V HA -0.278 3.837 4.120 -0.009 0.000 0.248 107 V C 2.422 178.474 176.094 -0.069 0.000 1.055 107 V CA 1.762 64.018 62.300 -0.074 0.000 1.038 107 V CB -0.973 30.799 31.823 -0.086 0.000 0.651 107 V HN 0.588 nan 8.190 nan 0.000 0.450 108 L N 0.964 122.135 121.223 -0.086 0.000 2.046 108 L HA -0.072 4.263 4.340 -0.009 0.000 0.208 108 L C 2.449 179.281 176.870 -0.064 0.000 1.077 108 L CA 2.367 57.160 54.840 -0.079 0.000 0.747 108 L CB -0.990 41.012 42.059 -0.096 0.000 0.896 108 L HN 0.212 nan 8.230 nan 0.000 0.432 109 A N -0.420 122.364 122.820 -0.060 0.000 1.940 109 A HA -0.265 4.050 4.320 -0.009 0.000 0.219 109 A C 2.463 180.023 177.584 -0.040 0.000 1.176 109 A CA 1.869 53.876 52.037 -0.050 0.000 0.631 109 A CB -0.614 18.360 19.000 -0.044 0.000 0.814 109 A HN 0.494 nan 8.150 nan 0.000 0.446 110 R N -0.674 119.804 120.500 -0.036 0.000 2.075 110 R HA -0.064 4.271 4.340 -0.009 0.000 0.232 110 R C 1.941 178.227 176.300 -0.023 0.000 1.126 110 R CA 1.524 57.609 56.100 -0.025 0.000 0.963 110 R CB -0.662 29.623 30.300 -0.024 0.000 0.858 110 R HN 0.433 nan 8.270 nan 0.000 0.435 111 L N -0.060 121.145 121.223 -0.031 0.000 2.046 111 L HA -0.102 4.232 4.340 -0.009 0.000 0.208 111 L C 1.905 178.758 176.870 -0.029 0.000 1.077 111 L CA 1.646 56.469 54.840 -0.029 0.000 0.747 111 L CB -0.504 41.533 42.059 -0.036 0.000 0.896 111 L HN 0.077 nan 8.230 nan 0.000 0.432 112 V N -1.057 118.834 119.914 -0.037 0.000 2.407 112 V HA -0.268 3.846 4.120 -0.009 0.000 0.248 112 V C 2.761 178.838 176.094 -0.028 0.000 1.055 112 V CA 1.774 64.050 62.300 -0.040 0.000 1.049 112 V CB -0.844 30.944 31.823 -0.058 0.000 0.662 112 V HN 0.639 nan 8.190 nan 0.000 0.455 113 S N -0.244 115.441 115.700 -0.024 0.000 2.356 113 S HA -0.147 4.318 4.470 -0.009 0.000 0.223 113 S C 1.933 176.532 174.600 -0.002 0.000 1.032 113 S CA 1.694 59.885 58.200 -0.014 0.000 1.005 113 S CB -0.350 62.844 63.200 -0.010 0.000 0.867 113 S HN 0.522 nan 8.310 nan 0.000 0.449 114 I N 1.733 122.303 120.570 0.000 0.000 2.264 114 I HA -0.173 3.991 4.170 -0.009 0.000 0.248 114 I C 2.647 178.768 176.117 0.006 0.000 1.111 114 I CA 1.090 62.396 61.300 0.009 0.000 1.382 114 I CB -0.474 37.529 38.000 0.004 0.000 1.060 114 I HN 0.376 nan 8.210 nan 0.000 0.418 115 A N -0.010 122.808 122.820 -0.004 0.000 2.178 115 A HA -0.180 4.134 4.320 -0.009 0.000 0.218 115 A C 2.074 179.660 177.584 0.003 0.000 1.157 115 A CA 1.082 53.116 52.037 -0.004 0.000 0.689 115 A CB -0.296 18.697 19.000 -0.011 0.000 0.787 115 A HN 0.392 nan 8.150 nan 0.000 0.465 116 Q N -1.100 118.703 119.800 0.006 0.000 2.436 116 Q HA 0.078 4.413 4.340 -0.009 0.000 0.209 116 Q C 1.237 177.248 176.000 0.018 0.000 0.965 116 Q CA 0.776 56.585 55.803 0.010 0.000 0.910 116 Q CB -0.540 28.202 28.738 0.006 0.000 0.980 116 Q HN 1.024 nan 8.270 nan 0.000 0.491 117 G N 0.440 109.254 108.800 0.023 0.000 2.212 117 G HA2 -0.212 3.743 3.960 -0.009 0.000 0.255 117 G HA3 -0.212 3.743 3.960 -0.009 0.000 0.255 117 G C 0.466 175.403 174.900 0.061 0.000 1.062 117 G CA 0.428 45.548 45.100 0.034 0.000 0.815 117 G HN 0.524 nan 8.290 nan 0.000 0.497 118 A N -1.053 121.814 122.820 0.079 0.000 2.635 118 A HA 0.721 5.036 4.320 -0.009 0.000 0.279 118 A C 1.667 179.376 177.584 0.209 0.000 1.122 118 A CA 1.375 53.487 52.037 0.125 0.000 0.965 118 A CB 0.277 19.311 19.000 0.055 0.000 1.221 118 A HN 0.767 nan 8.150 nan 0.000 0.566 119 S N -1.126 114.691 115.700 0.194 0.000 2.502 119 S HA 0.363 4.827 4.470 -0.009 0.000 0.215 119 S C 1.550 176.332 174.600 0.303 0.000 1.009 119 S CA 0.723 59.065 58.200 0.237 0.000 0.908 119 S CB 0.399 63.669 63.200 0.116 0.000 0.801 119 S HN 1.665 nan 8.310 nan 0.000 0.505 120 G N 1.869 110.765 108.800 0.159 0.000 2.162 120 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.260 120 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.260 120 G C 0.230 175.116 174.900 -0.023 0.000 0.976 120 G CA 0.019 45.102 45.100 -0.027 0.000 0.655 120 G HN 0.896 nan 8.290 nan 0.000 0.533 121 A N 0.427 123.255 122.820 0.012 0.000 2.540 121 A HA 0.603 4.917 4.320 -0.009 0.000 0.239 121 A C 1.170 178.710 177.584 -0.073 0.000 1.061 121 A CA 1.055 53.082 52.037 -0.017 0.000 0.758 121 A CB 0.189 19.186 19.000 -0.005 0.000 0.991 121 A HN 2.040 nan 8.150 nan 0.000 0.502 122 S N 1.674 117.296 115.700 -0.131 0.000 2.614 122 S HA 0.183 4.647 4.470 -0.009 0.000 0.265 122 S C 0.729 175.221 174.600 -0.180 0.000 1.303 122 S CA 0.113 58.161 58.200 -0.252 0.000 1.000 122 S CB 0.680 63.529 63.200 -0.584 0.000 0.935 122 S HN 0.714 nan 8.310 nan 0.000 0.551 123 E N 1.388 121.481 120.200 -0.180 0.000 2.118 123 E HA -0.106 4.239 4.350 -0.009 0.000 0.195 123 E C 2.131 178.676 176.600 -0.091 0.000 0.992 123 E CA 1.161 57.496 56.400 -0.107 0.000 0.804 123 E CB -0.742 28.907 29.700 -0.085 0.000 0.741 123 E HN 0.897 nan 8.360 nan 0.000 0.458 124 G N 0.639 109.368 108.800 -0.119 0.000 2.418 124 G HA2 -0.261 3.693 3.960 -0.009 0.000 0.217 124 G HA3 -0.261 3.693 3.960 -0.009 0.000 0.217 124 G C 1.641 176.514 174.900 -0.045 0.000 1.158 124 G CA 1.265 46.326 45.100 -0.065 0.000 0.771 124 G HN 0.182 nan 8.290 nan 0.000 0.545 125 T N 1.345 115.862 114.554 -0.061 0.000 2.746 125 T HA -0.055 4.289 4.350 -0.009 0.000 0.267 125 T C 2.382 177.066 174.700 -0.027 0.000 1.039 125 T CA 0.988 63.069 62.100 -0.032 0.000 1.142 125 T CB -0.158 68.690 68.868 -0.033 0.000 0.866 125 T HN 0.244 nan 8.240 nan 0.000 0.444 126 I N 1.264 121.812 120.570 -0.037 0.000 2.226 126 I HA -0.177 3.988 4.170 -0.009 0.000 0.245 126 I C 2.895 178.998 176.117 -0.024 0.000 1.100 126 I CA 1.070 62.352 61.300 -0.029 0.000 1.374 126 I CB -0.457 37.523 38.000 -0.033 0.000 1.057 126 I HN 0.192 nan 8.210 nan 0.000 0.413 127 A N 0.698 123.503 122.820 -0.025 0.000 1.972 127 A HA -0.178 4.136 4.320 -0.009 0.000 0.219 127 A C 2.323 179.901 177.584 -0.009 0.000 1.169 127 A CA 1.270 53.296 52.037 -0.018 0.000 0.635 127 A CB -0.387 18.603 19.000 -0.018 0.000 0.810 127 A HN 0.247 nan 8.150 nan 0.000 0.446 128 R N -0.212 120.285 120.500 -0.005 0.000 2.096 128 R HA -0.020 4.315 4.340 -0.009 0.000 0.235 128 R C 2.011 178.316 176.300 0.010 0.000 1.127 128 R CA 1.175 57.280 56.100 0.009 0.000 0.968 128 R CB -0.980 29.331 30.300 0.018 0.000 0.861 128 R HN 0.605 nan 8.270 nan 0.000 0.440 129 L N 0.056 121.278 121.223 -0.003 0.000 2.072 129 L HA -0.064 4.270 4.340 -0.009 0.000 0.205 129 L C 2.462 179.321 176.870 -0.018 0.000 1.079 129 L CA 1.017 55.850 54.840 -0.011 0.000 0.752 129 L CB -0.439 41.609 42.059 -0.020 0.000 0.906 129 L HN 0.056 nan 8.230 nan 0.000 0.436 130 I N 0.021 120.580 120.570 -0.019 0.000 2.226 130 I HA -0.282 3.883 4.170 -0.009 0.000 0.245 130 I C 2.105 178.211 176.117 -0.017 0.000 1.100 130 I CA 1.185 62.472 61.300 -0.022 0.000 1.374 130 I CB -0.401 37.587 38.000 -0.019 0.000 1.057 130 I HN 0.264 nan 8.210 nan 0.000 0.413 131 D N 0.795 121.189 120.400 -0.011 0.000 2.117 131 D HA -0.175 4.460 4.640 -0.009 0.000 0.197 131 D C 2.139 178.435 176.300 -0.007 0.000 0.987 131 D CA 0.942 54.937 54.000 -0.009 0.000 0.829 131 D CB -0.334 40.462 40.800 -0.007 0.000 0.961 131 D HN 0.165 nan 8.370 nan 0.000 0.460 132 L N 0.791 122.016 121.223 0.002 0.000 2.017 132 L HA -0.135 4.200 4.340 -0.009 0.000 0.208 132 L C 2.129 178.985 176.870 -0.023 0.000 1.073 132 L CA 1.401 56.249 54.840 0.014 0.000 0.745 132 L CB -0.879 41.206 42.059 0.043 0.000 0.894 132 L HN 0.089 nan 8.230 nan 0.000 0.432 133 L N 0.156 121.351 121.223 -0.046 0.000 2.191 133 L HA -0.196 4.139 4.340 -0.009 0.000 0.212 133 L C 1.824 178.666 176.870 -0.047 0.000 1.103 133 L CA 0.854 55.647 54.840 -0.078 0.000 0.769 133 L CB -0.544 41.468 42.059 -0.078 0.000 0.908 133 L HN 0.372 nan 8.230 nan 0.000 0.438 134 N N -0.502 118.185 118.700 -0.021 0.000 2.398 134 N HA -0.005 4.730 4.740 -0.009 0.000 0.188 134 N C 0.802 176.322 175.510 0.018 0.000 1.122 134 N CA 0.306 53.355 53.050 -0.002 0.000 0.866 134 N CB 0.201 38.686 38.487 -0.004 0.000 0.970 134 N HN 0.333 nan 8.380 nan 0.000 0.462 135 S N -0.180 115.533 115.700 0.021 0.000 2.719 135 S HA 0.314 4.779 4.470 -0.009 0.000 0.285 135 S C 0.729 175.402 174.600 0.121 0.000 1.137 135 S CA -0.502 57.724 58.200 0.043 0.000 1.012 135 S CB 1.543 64.751 63.200 0.014 0.000 1.134 135 S HN -0.078 nan 8.310 nan 0.000 0.544 136 E N 0.078 120.374 120.200 0.160 0.000 2.444 136 E HA 0.347 4.692 4.350 -0.009 0.000 0.191 136 E C -0.179 176.718 176.600 0.494 0.000 1.041 136 E CA 0.001 56.585 56.400 0.307 0.000 0.883 136 E CB -0.153 29.635 29.700 0.147 0.000 1.024 136 E HN 0.500 nan 8.360 nan 0.000 0.470 137 L N -0.188 121.246 121.223 0.351 0.000 2.304 137 L HA 0.763 5.097 4.340 -0.009 0.000 0.268 137 L C -0.050 176.950 176.870 0.215 0.000 1.010 137 L CA -1.089 53.991 54.840 0.400 0.000 0.813 137 L CB 1.587 43.758 42.059 0.187 0.000 1.315 137 L HN -0.168 nan 8.230 nan 0.000 0.445 138 A N 0.811 123.779 122.820 0.247 0.000 2.539 138 A HA 0.831 5.146 4.320 -0.009 0.000 0.296 138 A C -2.828 174.832 177.584 0.126 0.000 1.073 138 A CA -1.402 50.629 52.037 -0.010 0.000 0.700 138 A CB 1.912 20.715 19.000 -0.328 0.000 1.296 138 A HN 0.367 nan 8.150 nan 0.000 0.405 139 P HA 0.397 nan 4.420 nan 0.000 0.275 139 P C -0.399 176.802 177.300 -0.165 0.000 1.228 139 P CA 0.038 62.975 63.100 -0.272 0.000 0.786 139 P CB 1.357 32.908 31.700 -0.249 0.000 0.927 140 A N 3.396 126.094 122.820 -0.203 0.000 2.391 140 A HA 0.457 4.772 4.320 -0.009 0.000 0.316 140 A C -0.183 177.327 177.584 -0.122 0.000 1.381 140 A CA -0.436 51.539 52.037 -0.102 0.000 0.998 140 A CB -0.349 18.610 19.000 -0.068 0.000 1.147 140 A HN 0.352 nan 8.150 nan 0.000 0.545 141 V N 5.176 125.025 119.914 -0.110 0.000 2.495 141 V HA 0.349 4.463 4.120 -0.009 0.000 0.298 141 V C -2.368 173.622 176.094 -0.173 0.000 1.031 141 V CA -1.877 60.338 62.300 -0.142 0.000 0.871 141 V CB 1.924 33.696 31.823 -0.084 0.000 0.988 141 V HN 0.693 nan 8.190 nan 0.000 0.432 142 P HA 0.090 nan 4.420 nan 0.000 0.268 142 P C 0.730 177.947 177.300 -0.139 0.000 1.205 142 P CA 0.082 63.040 63.100 -0.236 0.000 0.771 142 P CB 0.654 32.136 31.700 -0.363 0.000 0.858 143 S N 2.652 118.303 115.700 -0.081 0.000 2.446 143 S HA 0.043 4.508 4.470 -0.009 0.000 0.225 143 S C 0.696 175.278 174.600 -0.030 0.000 1.016 143 S CA 0.352 58.526 58.200 -0.043 0.000 0.943 143 S CB -0.092 63.095 63.200 -0.022 0.000 0.786 143 S HN 0.325 nan 8.310 nan 0.000 0.508 144 R N -0.175 120.304 120.500 -0.036 0.000 2.720 144 R HA 0.632 4.967 4.340 -0.009 0.000 0.272 144 R C 0.815 177.108 176.300 -0.011 0.000 0.991 144 R CA -0.011 56.079 56.100 -0.017 0.000 1.010 144 R CB 1.477 31.769 30.300 -0.013 0.000 1.141 144 R HN 0.331 nan 8.270 nan 0.000 0.494 145 G N 0.138 108.941 108.800 0.004 0.000 2.901 145 G HA2 -0.215 3.740 3.960 -0.009 0.000 0.194 145 G HA3 -0.215 3.740 3.960 -0.009 0.000 0.194 145 G C 0.110 175.021 174.900 0.018 0.000 1.020 145 G CA -0.079 45.031 45.100 0.016 0.000 0.787 145 G HN 0.602 nan 8.290 nan 0.000 0.477 146 T N 0.783 115.346 114.554 0.015 0.000 2.928 146 T HA 0.525 4.870 4.350 -0.009 0.000 0.284 146 T C 1.463 176.176 174.700 0.021 0.000 1.008 146 T CA 0.511 62.619 62.100 0.014 0.000 1.057 146 T CB 1.623 70.497 68.868 0.010 0.000 1.018 146 T HN 1.169 nan 8.240 nan 0.000 0.493 147 V N 1.185 121.113 119.914 0.023 0.000 3.542 147 V HA 0.607 4.721 4.120 -0.009 0.000 0.296 147 V C 1.123 177.244 176.094 0.045 0.000 1.364 147 V CA 0.231 62.552 62.300 0.036 0.000 1.118 147 V CB -1.266 30.580 31.823 0.038 0.000 0.972 147 V HN 1.361 nan 8.190 nan 0.000 0.430 153 L N -0.338 120.851 121.223 -0.056 0.000 2.046 153 L HA -0.118 4.216 4.340 -0.009 0.000 0.208 153 L C 2.352 179.169 176.870 -0.089 0.000 1.077 153 L CA 1.364 56.149 54.840 -0.092 0.000 0.747 153 L CB -0.572 41.407 42.059 -0.134 0.000 0.896 153 L HN 0.095 nan 8.230 nan 0.000 0.432 154 T N 0.573 115.097 114.554 -0.050 0.000 2.622 154 T HA -0.094 4.251 4.350 -0.009 0.000 0.266 154 T C -0.429 174.328 174.700 0.095 0.000 1.047 154 T CA 1.715 63.816 62.100 0.002 0.000 1.159 154 T CB -1.216 67.678 68.868 0.043 0.000 0.863 154 T HN 0.303 nan 8.240 nan 0.000 0.422 155 P HA 0.010 nan 4.420 nan 0.000 0.218 155 P C 1.571 178.894 177.300 0.039 0.000 1.149 155 P CA 0.992 64.132 63.100 0.065 0.000 0.817 155 P CB -0.232 31.473 31.700 0.008 0.000 0.785 156 L N -0.726 120.493 121.223 -0.007 0.000 2.156 156 L HA -0.067 4.268 4.340 -0.009 0.000 0.208 156 L C 2.775 179.608 176.870 -0.061 0.000 1.095 156 L CA 1.253 56.072 54.840 -0.035 0.000 0.770 156 L CB -1.010 41.022 42.059 -0.045 0.000 0.914 156 L HN -0.058 nan 8.230 nan 0.000 0.439 157 A N -0.893 121.869 122.820 -0.098 0.000 1.898 157 A HA -0.215 4.099 4.320 -0.009 0.000 0.216 157 A C 2.127 179.604 177.584 -0.178 0.000 1.181 157 A CA 1.246 53.175 52.037 -0.179 0.000 0.620 157 A CB -0.704 18.131 19.000 -0.276 0.000 0.819 157 A HN 0.395 nan 8.150 nan 0.000 0.442 158 H N -1.169 117.846 119.070 -0.091 0.000 2.387 158 H HA -0.095 4.455 4.556 -0.010 0.000 0.299 158 H C 2.086 177.348 175.328 -0.111 0.000 1.090 158 H CA 1.731 57.725 56.048 -0.090 0.000 1.332 158 H CB -0.257 29.455 29.762 -0.084 0.000 1.386 158 H HN 0.592 nan 8.280 nan 0.000 0.516 159 M N 0.581 120.183 119.600 0.003 0.000 2.117 159 M HA -0.154 4.321 4.480 -0.009 0.000 0.262 159 M C 2.109 178.366 176.300 -0.071 0.000 1.065 159 M CA 1.324 56.589 55.300 -0.059 0.000 1.114 159 M CB -0.119 32.450 32.600 -0.051 0.000 1.361 159 M HN -0.004 nan 8.290 nan 0.000 0.408 160 V N 1.339 121.215 119.914 -0.062 0.000 2.287 160 V HA -0.310 3.805 4.120 -0.009 0.000 0.248 160 V C 2.456 178.522 176.094 -0.048 0.000 1.053 160 V CA 1.861 64.129 62.300 -0.054 0.000 1.027 160 V CB -0.790 30.989 31.823 -0.072 0.000 0.646 160 V HN 0.548 nan 8.190 nan 0.000 0.447 161 L N -0.812 120.375 121.223 -0.061 0.000 2.042 161 L HA -0.241 4.094 4.340 -0.009 0.000 0.210 161 L C 2.675 179.518 176.870 -0.047 0.000 1.076 161 L CA 1.750 56.567 54.840 -0.038 0.000 0.749 161 L CB -0.822 41.212 42.059 -0.041 0.000 0.893 161 L HN 0.412 nan 8.230 nan 0.000 0.432 162 C N -0.093 119.134 119.300 -0.122 0.000 2.432 162 C HA -0.162 4.293 4.460 -0.009 0.000 0.277 162 C C 2.699 177.616 174.990 -0.122 0.000 1.249 162 C CA 0.443 59.284 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 0.348 121.559 121.223 -0.020 0.000 2.265 163 L HA -0.185 4.150 4.340 -0.009 0.000 0.215 163 L C 2.433 179.385 176.870 0.136 0.000 1.117 163 L CA 1.314 56.240 54.840 0.143 0.000 0.782 163 L CB -0.654 41.450 42.059 0.075 0.000 0.914 163 L HN 0.541 nan 8.230 nan 0.000 0.441 164 Q N -0.449 119.400 119.800 0.082 0.000 2.360 164 Q HA 0.111 4.445 4.340 -0.009 0.000 0.202 164 Q C 1.346 177.405 176.000 0.097 0.000 0.915 164 Q CA 0.503 56.350 55.803 0.073 0.000 0.943 164 Q CB 0.599 29.363 28.738 0.042 0.000 1.064 164 Q HN 0.558 nan 8.270 nan 0.000 0.511 165 G N 1.744 110.634 108.800 0.151 0.000 2.143 165 G HA2 -0.306 3.649 3.960 -0.009 0.000 0.249 165 G HA3 -0.306 3.649 3.960 -0.009 0.000 0.249 165 G C 0.508 175.477 174.900 0.114 0.000 0.981 165 G CA 0.063 45.270 45.100 0.178 0.000 0.665 165 G HN 0.320 nan 8.290 nan 0.000 0.528 166 R N 0.056 120.598 120.500 0.070 0.000 2.552 166 R HA 0.478 4.813 4.340 -0.009 0.000 0.314 166 R C 0.974 177.285 176.300 0.019 0.000 1.041 166 R CA 0.472 56.599 56.100 0.044 0.000 1.076 166 R CB 0.854 31.178 30.300 0.040 0.000 1.290 166 R HN 0.528 nan 8.270 nan 0.000 0.563 167 G N -0.356 108.441 108.800 -0.005 0.000 2.692 167 G HA2 0.238 4.193 3.960 -0.009 0.000 0.291 167 G HA3 0.238 4.193 3.960 -0.009 0.000 0.291 167 G C -1.476 173.362 174.900 -0.104 0.000 1.423 167 G CA -0.653 44.412 45.100 -0.058 0.000 0.843 167 G HN -0.124 nan 8.290 nan 0.000 0.486 168 D N -0.552 119.793 120.400 -0.092 0.000 2.358 168 D HA 0.589 5.223 4.640 -0.009 0.000 0.244 168 D C -0.500 175.674 176.300 -0.209 0.000 1.163 168 D CA 0.500 54.477 54.000 -0.037 0.000 0.945 168 D CB 0.918 41.723 40.800 0.008 0.000 1.152 168 D HN 0.100 nan 8.370 nan 0.000 0.451 169 F N -0.654 119.321 119.950 0.042 0.000 2.611 169 F HA 0.529 5.051 4.527 -0.008 0.000 0.324 169 F C -0.175 175.672 175.800 0.079 0.000 1.061 169 F CA -0.878 57.156 58.000 0.056 0.000 0.954 169 F CB 1.238 40.273 39.000 0.057 0.000 1.301 169 F HN -0.070 nan 8.300 nan 0.000 0.482 170 L N 1.423 122.849 121.223 0.339 0.000 2.381 170 L HA 0.443 4.778 4.340 -0.009 0.000 0.268 170 L C -1.048 176.042 176.870 0.368 0.000 0.997 170 L CA -1.050 53.964 54.840 0.291 0.000 0.818 170 L CB 1.962 44.193 42.059 0.288 0.000 1.310 170 L HN 0.595 nan 8.230 nan 0.000 0.416 171 D N 0.915 121.426 120.400 0.186 0.000 2.478 171 D HA 0.228 4.862 4.640 -0.009 0.000 0.263 171 D C 0.771 176.887 176.300 -0.306 0.000 1.153 171 D CA -0.646 53.381 54.000 0.045 0.000 1.038 171 D CB 0.860 41.649 40.800 -0.019 0.000 1.120 171 D HN 0.332 nan 8.370 nan 0.000 0.564 172 R N -0.610 119.461 120.500 -0.714 0.000 2.170 172 R HA -0.106 4.228 4.340 -0.009 0.000 0.242 172 R C 0.682 176.639 176.300 -0.572 0.000 1.145 172 R CA 1.448 56.813 56.100 -1.225 0.000 0.984 172 R CB -0.142 29.567 30.300 -0.985 0.000 0.869 172 R HN 0.523 nan 8.270 nan 0.000 0.455 173 D N -1.272 118.948 120.400 -0.301 0.000 2.349 173 D HA 0.042 4.676 4.640 -0.009 0.000 0.215 173 D C 1.201 177.458 176.300 -0.072 0.000 1.016 173 D CA 1.030 54.938 54.000 -0.153 0.000 0.870 173 D CB 0.723 41.459 40.800 -0.105 0.000 0.917 173 D HN 0.454 nan 8.370 nan 0.000 0.524 174 G N 1.511 110.285 108.800 -0.043 0.000 2.175 174 G HA2 -0.269 3.685 3.960 -0.009 0.000 0.244 174 G HA3 -0.269 3.685 3.960 -0.009 0.000 0.244 174 G C 0.653 175.576 174.900 0.038 0.000 0.982 174 G CA 0.494 45.615 45.100 0.036 0.000 0.641 174 G HN 0.428 nan 8.290 nan 0.000 0.527 175 T N -0.441 114.124 114.554 0.019 0.000 2.901 175 T HA 0.603 4.947 4.350 -0.009 0.000 0.301 175 T C 0.546 175.279 174.700 0.055 0.000 1.012 175 T CA -0.299 61.817 62.100 0.026 0.000 1.135 175 T CB 1.449 70.323 68.868 0.009 0.000 0.936 175 T HN 0.452 nan 8.240 nan 0.000 0.539 176 R N 2.091 122.624 120.500 0.055 0.000 2.490 176 R HA 0.554 4.889 4.340 -0.009 0.000 0.278 176 R C -0.376 175.974 176.300 0.082 0.000 1.069 176 R CA -0.603 55.542 56.100 0.075 0.000 1.080 176 R CB 0.753 31.086 30.300 0.055 0.000 1.030 176 R HN 0.624 nan 8.270 nan 0.000 0.491 177 L N 2.213 123.511 121.223 0.124 0.000 2.381 177 L HA 0.290 4.625 4.340 -0.009 0.000 0.268 177 L C 0.230 177.196 176.870 0.159 0.000 0.997 177 L CA -1.076 53.840 54.840 0.126 0.000 0.818 177 L CB 2.070 44.212 42.059 0.138 0.000 1.310 177 L HN 0.710 nan 8.230 nan 0.000 0.416 178 D N 1.383 121.856 120.400 0.122 0.000 2.371 178 D HA 0.016 4.651 4.640 -0.009 0.000 0.242 178 D C 1.041 177.465 176.300 0.205 0.000 1.218 178 D CA -0.005 54.070 54.000 0.126 0.000 0.945 178 D CB 1.541 42.389 40.800 0.080 0.000 1.137 178 D HN 0.615 nan 8.370 nan 0.000 0.464 179 G N 0.254 109.171 108.800 0.196 0.000 2.476 179 G HA2 -0.284 3.670 3.960 -0.009 0.000 0.218 179 G HA3 -0.284 3.670 3.960 -0.009 0.000 0.218 179 G C 1.581 176.612 174.900 0.219 0.000 1.164 179 G CA 1.848 47.117 45.100 0.283 0.000 0.768 179 G HN 0.680 nan 8.290 nan 0.000 0.560 180 A N 0.714 123.605 122.820 0.119 0.000 1.902 180 A HA -0.046 4.268 4.320 -0.009 0.000 0.217 180 A C 2.210 179.812 177.584 0.030 0.000 1.181 180 A CA 2.300 54.376 52.037 0.065 0.000 0.623 180 A CB -0.437 18.591 19.000 0.046 0.000 0.818 180 A HN 0.436 nan 8.150 nan 0.000 0.443 181 E N 0.095 120.318 120.200 0.039 0.000 2.150 181 E HA -0.012 4.333 4.350 -0.009 0.000 0.193 181 E C 1.925 178.488 176.600 -0.062 0.000 0.985 181 E CA 1.485 57.887 56.400 0.003 0.000 0.814 181 E CB -0.781 28.935 29.700 0.027 0.000 0.752 181 E HN 0.387 nan 8.360 nan 0.000 0.466 182 G N 0.759 109.509 108.800 -0.083 0.000 2.421 182 G HA2 -0.214 3.741 3.960 -0.009 0.000 0.216 182 G HA3 -0.214 3.741 3.960 -0.009 0.000 0.216 182 G C 1.577 176.110 174.900 -0.611 0.000 1.171 182 G CA 0.899 45.711 45.100 -0.481 0.000 0.775 182 G HN 0.313 nan 8.290 nan 0.000 0.543 183 L N -0.344 120.654 121.223 -0.376 0.000 2.141 183 L HA 0.007 4.342 4.340 -0.009 0.000 0.209 183 L C 2.929 179.708 176.870 -0.152 0.000 1.094 183 L CA 0.913 55.612 54.840 -0.234 0.000 0.763 183 L CB -0.345 41.674 42.059 -0.067 0.000 0.908 183 L HN 0.181 nan 8.230 nan 0.000 0.437 184 R N 0.483 120.915 120.500 -0.113 0.000 2.055 184 R HA -0.145 4.190 4.340 -0.009 0.000 0.228 184 R C 2.512 178.764 176.300 -0.079 0.000 1.143 184 R CA 1.330 57.387 56.100 -0.072 0.000 0.945 184 R CB -0.121 30.153 30.300 -0.043 0.000 0.841 184 R HN 0.163 nan 8.270 nan 0.000 0.429 185 R N -0.469 119.975 120.500 -0.093 0.000 2.096 185 R HA -0.082 4.253 4.340 -0.009 0.000 0.235 185 R C 1.858 178.106 176.300 -0.087 0.000 1.127 185 R CA 1.742 57.797 56.100 -0.076 0.000 0.968 185 R CB -0.404 29.857 30.300 -0.066 0.000 0.861 185 R HN 0.375 nan 8.270 nan 0.000 0.440 186 G N -0.409 108.304 108.800 -0.145 0.000 2.985 186 G HA2 -0.060 3.895 3.960 -0.009 0.000 0.209 186 G HA3 -0.060 3.895 3.960 -0.009 0.000 0.209 186 G C -0.147 174.696 174.900 -0.095 0.000 1.165 186 G CA -0.335 44.688 45.100 -0.128 0.000 0.776 186 G HN 0.233 nan 8.290 nan 0.000 0.541 187 R N -0.974 119.474 120.500 -0.087 0.000 3.336 187 R HA -0.135 4.200 4.340 -0.009 0.000 0.260 187 R C -0.393 175.873 176.300 -0.057 0.000 1.032 187 R CA 0.511 56.576 56.100 -0.058 0.000 0.693 187 R CB -2.619 27.658 30.300 -0.038 0.000 1.134 187 R HN 0.403 nan 8.270 nan 0.000 0.433 188 L N 0.609 121.784 121.223 -0.079 0.000 2.334 188 L HA 0.386 4.721 4.340 -0.009 0.000 0.270 188 L C 0.870 177.722 176.870 -0.031 0.000 1.018 188 L CA -0.920 53.885 54.840 -0.059 0.000 0.811 188 L CB 1.294 43.298 42.059 -0.091 0.000 1.271 188 L HN -0.073 nan 8.230 nan 0.000 0.443 189 Q N 2.313 122.109 119.800 -0.007 0.000 2.230 189 Q HA 0.386 4.720 4.340 -0.009 0.000 0.253 189 Q C -2.338 173.679 176.000 0.027 0.000 0.919 189 Q CA -1.953 53.854 55.803 0.008 0.000 0.908 189 Q CB 1.521 30.264 28.738 0.009 0.000 1.245 189 Q HN 0.295 nan 8.270 nan 0.000 0.437 190 P HA 0.003 nan 4.420 nan 0.000 0.267 190 P C -0.234 177.094 177.300 0.047 0.000 1.205 190 P CA -0.515 62.616 63.100 0.052 0.000 0.765 190 P CB 0.578 32.306 31.700 0.047 0.000 0.828 191 L N 3.390 124.645 121.223 0.054 0.000 2.513 191 L HA 0.153 4.487 4.340 -0.009 0.000 0.272 191 L C -0.059 176.834 176.870 0.038 0.000 1.187 191 L CA 0.685 55.550 54.840 0.042 0.000 0.895 191 L CB -0.598 41.483 42.059 0.038 0.000 1.147 191 L HN 0.303 nan 8.230 nan 0.000 0.483 192 D N 4.574 125.000 120.400 0.043 0.000 2.425 192 D HA 0.255 4.890 4.640 -0.009 0.000 0.240 192 D C -0.147 176.194 176.300 0.069 0.000 1.080 192 D CA -0.200 53.831 54.000 0.052 0.000 0.836 192 D CB 0.848 41.685 40.800 0.061 0.000 1.125 192 D HN 0.618 nan 8.370 nan 0.000 0.525 193 L N 3.230 124.484 121.223 0.051 0.000 2.912 193 L HA 0.118 4.453 4.340 -0.009 0.000 0.240 193 L C 1.840 178.748 176.870 0.063 0.000 1.262 193 L CA -0.159 54.717 54.840 0.059 0.000 1.058 193 L CB -0.162 41.910 42.059 0.023 0.000 1.383 193 L HN 0.396 nan 8.230 nan 0.000 0.512 194 S N -2.053 113.684 115.700 0.062 0.000 2.419 194 S HA -0.214 4.251 4.470 -0.009 0.000 0.233 194 S C 1.455 176.007 174.600 -0.080 0.000 1.016 194 S CA 0.967 59.152 58.200 -0.026 0.000 0.974 194 S CB -0.442 62.707 63.200 -0.085 0.000 0.786 194 S HN 0.535 nan 8.310 nan 0.000 0.492 195 H N 1.655 120.720 119.070 -0.008 0.000 2.556 195 H HA 0.351 4.902 4.556 -0.009 0.000 0.268 195 H C 0.535 175.856 175.328 -0.011 0.000 0.996 195 H CA 0.392 56.432 56.048 -0.013 0.000 1.157 195 H CB -0.191 29.560 29.762 -0.018 0.000 1.355 195 H HN 0.376 nan 8.280 nan 0.000 0.597 196 R N 0.832 121.382 120.500 0.084 0.000 3.531 196 R HA -0.136 4.199 4.340 -0.009 0.000 0.280 196 R C -0.768 175.579 176.300 0.078 0.000 1.130 196 R CA 0.852 56.989 56.100 0.062 0.000 0.757 196 R CB -1.839 28.485 30.300 0.041 0.000 1.218 196 R HN 0.537 nan 8.270 nan 0.000 0.454 197 D N -0.922 119.528 120.400 0.084 0.000 2.615 197 D HA 0.237 4.872 4.640 -0.009 0.000 0.236 197 D C 1.216 177.555 176.300 0.066 0.000 1.233 197 D CA 0.310 54.356 54.000 0.076 0.000 0.829 197 D CB 0.367 41.197 40.800 0.050 0.000 1.024 197 D HN 0.299 nan 8.370 nan 0.000 0.490 198 A N 0.575 123.431 122.820 0.059 0.000 1.972 198 A HA -0.084 4.231 4.320 -0.009 0.000 0.219 198 A C 2.166 179.770 177.584 0.033 0.000 1.169 198 A CA 0.684 52.737 52.037 0.028 0.000 0.635 198 A CB -0.615 18.390 19.000 0.007 0.000 0.810 198 A HN 0.367 nan 8.150 nan 0.000 0.446 199 L N -0.979 120.294 121.223 0.084 0.000 2.362 199 L HA -0.134 4.201 4.340 -0.009 0.000 0.219 199 L C 2.777 179.701 176.870 0.089 0.000 1.134 199 L CA 0.655 55.557 54.840 0.103 0.000 0.807 199 L CB -0.370 41.797 42.059 0.181 0.000 0.927 199 L HN 0.448 nan 8.230 nan 0.000 0.447 200 A N -0.433 122.438 122.820 0.085 0.000 2.119 200 A HA 0.028 4.342 4.320 -0.009 0.000 0.216 200 A C 2.116 179.719 177.584 0.033 0.000 1.152 200 A CA 0.844 52.924 52.037 0.071 0.000 0.708 200 A CB -0.116 18.926 19.000 0.071 0.000 0.805 200 A HN 0.396 nan 8.150 nan 0.000 0.460 201 L N -1.155 120.077 121.223 0.015 0.000 2.388 201 L HA 0.125 4.459 4.340 -0.009 0.000 0.209 201 L C 0.055 176.910 176.870 -0.024 0.000 1.061 201 L CA 0.239 55.074 54.840 -0.008 0.000 0.834 201 L CB 0.332 42.381 42.059 -0.017 0.000 1.029 201 L HN 0.045 nan 8.230 nan 0.000 0.473 202 V N 1.975 121.869 119.914 -0.034 0.000 2.218 202 V HA 0.376 4.491 4.120 -0.009 0.000 0.261 202 V C -0.473 175.600 176.094 -0.033 0.000 1.142 202 V CA -0.218 62.044 62.300 -0.064 0.000 0.965 202 V CB -0.213 31.534 31.823 -0.127 0.000 1.190 202 V HN 0.327 nan 8.190 nan 0.000 0.478 203 N N 1.924 120.617 118.700 -0.012 0.000 3.322 203 N HA 0.507 5.241 4.740 -0.009 0.000 0.233 203 N C -0.081 175.451 175.510 0.036 0.000 1.399 203 N CA 0.598 53.661 53.050 0.021 0.000 0.894 203 N CB 2.293 40.811 38.487 0.051 0.000 1.440 203 N HN 0.759 nan 8.380 nan 0.000 0.503 204 G N -0.004 108.847 108.800 0.086 0.000 2.698 204 G HA2 -0.239 3.716 3.960 -0.009 0.000 0.233 204 G HA3 -0.239 3.716 3.960 -0.009 0.000 0.233 204 G C 0.193 175.137 174.900 0.074 0.000 1.352 204 G CA 0.452 45.606 45.100 0.091 0.000 0.879 204 G HN 1.188 nan 8.290 nan 0.000 0.567 205 T N -3.035 111.548 114.554 0.049 0.000 3.269 205 T HA 0.565 4.910 4.350 -0.009 0.000 0.269 205 T C 1.814 176.519 174.700 0.009 0.000 0.993 205 T CA 0.957 63.078 62.100 0.035 0.000 0.909 205 T CB 0.418 69.305 68.868 0.031 0.000 1.115 205 T HN 0.856 nan 8.240 nan 0.000 0.543 206 S N 1.703 117.404 115.700 0.002 0.000 2.370 206 S HA -0.082 4.383 4.470 -0.009 0.000 0.226 206 S C 2.462 177.053 174.600 -0.015 0.000 1.033 206 S CA 1.305 59.498 58.200 -0.013 0.000 1.011 206 S CB -0.583 62.606 63.200 -0.018 0.000 0.852 206 S HN 0.835 nan 8.310 nan 0.000 0.457 207 A N 2.652 125.467 122.820 -0.009 0.000 1.855 207 A HA -0.072 4.243 4.320 -0.009 0.000 0.215 207 A C 2.280 179.865 177.584 0.002 0.000 1.191 207 A CA 1.719 53.752 52.037 -0.008 0.000 0.613 207 A CB -0.797 18.201 19.000 -0.005 0.000 0.829 207 A HN 0.658 nan 8.150 nan 0.000 0.442 208 M N -1.445 118.160 119.600 0.009 0.000 2.213 208 M HA -0.091 4.383 4.480 -0.009 0.000 0.263 208 M C 1.783 178.089 176.300 0.010 0.000 1.062 208 M CA 2.308 57.618 55.300 0.017 0.000 1.105 208 M CB -1.311 31.302 32.600 0.022 0.000 1.385 208 M HN 0.162 nan 8.290 nan 0.000 0.417 209 T N 1.140 115.692 114.554 -0.005 0.000 2.777 209 T HA 0.008 4.353 4.350 -0.009 0.000 0.266 209 T C 1.968 176.664 174.700 -0.007 0.000 1.040 209 T CA 1.629 63.718 62.100 -0.019 0.000 1.141 209 T CB -0.723 68.126 68.868 -0.033 0.000 0.868 209 T HN 0.720 nan 8.240 nan 0.000 0.444 210 G N 1.309 110.103 108.800 -0.010 0.000 2.418 210 G HA2 -0.119 3.835 3.960 -0.009 0.000 0.217 210 G HA3 -0.119 3.835 3.960 -0.009 0.000 0.217 210 G C 1.522 176.433 174.900 0.018 0.000 1.158 210 G CA 0.469 45.562 45.100 -0.011 0.000 0.771 210 G HN 0.484 nan 8.290 nan 0.000 0.545 211 I N 1.457 122.044 120.570 0.027 0.000 2.226 211 I HA -0.176 3.988 4.170 -0.009 0.000 0.245 211 I C 3.269 179.438 176.117 0.086 0.000 1.100 211 I CA 1.068 62.400 61.300 0.052 0.000 1.374 211 I CB -0.195 37.834 38.000 0.047 0.000 1.057 211 I HN 0.235 nan 8.210 nan 0.000 0.413 212 A N 1.230 124.103 122.820 0.088 0.000 1.930 212 A HA -0.162 4.153 4.320 -0.009 0.000 0.217 212 A C 2.243 179.934 177.584 0.178 0.000 1.175 212 A CA 1.754 53.882 52.037 0.152 0.000 0.627 212 A CB -0.805 18.252 19.000 0.095 0.000 0.815 212 A HN 0.516 nan 8.150 nan 0.000 0.443 213 L N -2.036 119.254 121.223 0.112 0.000 2.217 213 L HA 0.025 4.359 4.340 -0.009 0.000 0.211 213 L C 1.929 178.911 176.870 0.187 0.000 1.107 213 L CA 1.515 56.431 54.840 0.126 0.000 0.783 213 L CB -1.034 41.065 42.059 0.065 0.000 0.919 213 L HN 0.002 nan 8.230 nan 0.000 0.442 214 V N 0.768 120.790 119.914 0.180 0.000 2.453 214 V HA -0.145 3.970 4.120 -0.009 0.000 0.247 214 V C 2.432 178.656 176.094 0.217 0.000 1.048 214 V CA 1.606 64.054 62.300 0.248 0.000 1.049 214 V CB -0.945 30.986 31.823 0.180 0.000 0.672 214 V HN 0.492 nan 8.190 nan 0.000 0.457 215 N N 0.967 119.767 118.700 0.167 0.000 2.120 215 N HA -0.124 4.611 4.740 -0.009 0.000 0.188 215 N C 1.928 177.497 175.510 0.098 0.000 1.024 215 N CA 1.708 54.833 53.050 0.125 0.000 0.852 215 N CB -0.565 37.980 38.487 0.097 0.000 1.003 215 N HN 0.471 nan 8.380 nan 0.000 0.424 216 A N 0.306 123.211 122.820 0.141 0.000 1.908 216 A HA -0.219 4.096 4.320 -0.009 0.000 0.218 216 A C 2.119 179.736 177.584 0.055 0.000 1.181 216 A CA 1.909 54.011 52.037 0.108 0.000 0.627 216 A CB -0.956 18.167 19.000 0.205 0.000 0.818 216 A HN 0.461 nan 8.150 nan 0.000 0.445 217 H N -0.209 118.848 119.070 -0.022 0.000 2.321 217 H HA 0.051 4.601 4.556 -0.009 0.000 0.300 217 H C 2.223 177.491 175.328 -0.100 0.000 1.087 217 H CA 1.979 57.937 56.048 -0.152 0.000 1.319 217 H CB -0.262 29.293 29.762 -0.345 0.000 1.379 217 H HN 0.393 nan 8.280 nan 0.000 0.501 218 A N -0.346 122.507 122.820 0.055 0.000 1.902 218 A HA -0.186 4.129 4.320 -0.009 0.000 0.217 218 A C 2.706 180.285 177.584 -0.010 0.000 1.181 218 A CA 1.512 53.582 52.037 0.054 0.000 0.623 218 A CB -1.219 17.848 19.000 0.111 0.000 0.818 218 A HN 0.651 nan 8.150 nan 0.000 0.443 219 C N -1.318 117.994 119.300 0.019 0.000 2.422 219 C HA -0.027 4.427 4.460 -0.009 0.000 0.279 219 C C 2.776 177.750 174.990 -0.027 0.000 1.305 219 C CA 1.121 60.189 59.018 0.083 0.000 1.757 219 C CB -1.349 26.471 27.740 0.133 0.000 1.962 219 C HN 0.737 nan 8.230 nan 0.000 0.499 220 R N -0.049 120.340 120.500 -0.185 0.000 2.073 220 R HA -0.128 4.206 4.340 -0.009 0.000 0.234 220 R C 2.261 178.363 176.300 -0.330 0.000 1.134 220 R CA 1.555 57.465 56.100 -0.317 0.000 0.952 220 R CB -0.426 29.590 30.300 -0.473 0.000 0.850 220 R HN 0.598 nan 8.270 nan 0.000 0.433 221 H N 0.529 119.468 119.070 -0.219 0.000 2.326 221 H HA -0.084 4.467 4.556 -0.009 0.000 0.301 221 H C 2.177 177.490 175.328 -0.026 0.000 1.081 221 H CA 1.652 57.619 56.048 -0.136 0.000 1.334 221 H CB -0.195 29.488 29.762 -0.131 0.000 1.385 221 H HN 0.246 nan 8.280 nan 0.000 0.504 222 L N -0.174 121.020 121.223 -0.049 0.000 2.131 222 L HA -0.083 4.252 4.340 -0.009 0.000 0.210 222 L C 2.739 179.445 176.870 -0.274 0.000 1.092 222 L CA 1.016 55.642 54.840 -0.357 0.000 0.759 222 L CB -0.741 40.719 42.059 -0.998 0.000 0.903 222 L HN 0.296 nan 8.230 nan 0.000 0.435 223 G N -0.094 108.681 108.800 -0.043 0.000 2.422 223 G HA2 -0.245 3.709 3.960 -0.009 0.000 0.218 223 G HA3 -0.245 3.709 3.960 -0.009 0.000 0.218 223 G C 1.399 176.382 174.900 0.138 0.000 1.146 223 G CA 0.482 45.731 45.100 0.249 0.000 0.769 223 G HN 0.312 nan 8.290 nan 0.000 0.547 224 N N 0.110 118.785 118.700 -0.040 0.000 2.188 224 N HA -0.086 4.649 4.740 -0.009 0.000 0.184 224 N C 1.840 177.258 175.510 -0.154 0.000 1.018 224 N CA 0.843 53.813 53.050 -0.134 0.000 0.858 224 N CB -0.329 38.017 38.487 -0.235 0.000 0.989 224 N HN 0.581 nan 8.380 nan 0.000 0.426 225 W N 1.595 122.850 121.300 -0.075 0.000 2.388 225 W HA 0.067 4.721 4.660 -0.010 0.000 0.294 225 W C 2.498 178.993 176.519 -0.039 0.000 1.212 225 W CA 1.093 58.390 57.345 -0.079 0.000 1.271 225 W CB -0.395 28.975 29.460 -0.151 0.000 1.126 225 W HN 0.027 nan 8.180 nan 0.000 0.535 226 A N -0.152 122.789 122.820 0.202 0.000 1.908 226 A HA -0.177 4.138 4.320 -0.009 0.000 0.218 226 A C 1.994 179.665 177.584 0.145 0.000 1.181 226 A CA 2.141 54.311 52.037 0.222 0.000 0.627 226 A CB -1.092 18.133 19.000 0.375 0.000 0.818 226 A HN 0.098 nan 8.150 nan 0.000 0.445 227 V N -0.336 119.649 119.914 0.118 0.000 2.307 227 V HA -0.198 3.916 4.120 -0.009 0.000 0.245 227 V C 3.069 179.148 176.094 -0.026 0.000 1.045 227 V CA 1.875 64.189 62.300 0.022 0.000 1.024 227 V CB -1.182 30.662 31.823 0.036 0.000 0.651 227 V HN 0.610 nan 8.190 nan 0.000 0.449 228 A N -0.305 122.492 122.820 -0.039 0.000 1.933 228 A HA -0.151 4.164 4.320 -0.009 0.000 0.218 228 A C 2.178 179.782 177.584 0.032 0.000 1.175 228 A CA 1.778 53.781 52.037 -0.057 0.000 0.628 228 A CB -0.504 18.378 19.000 -0.197 0.000 0.814 228 A HN 0.522 nan 8.150 nan 0.000 0.444 229 L N -1.200 120.081 121.223 0.097 0.000 2.179 229 L HA -0.085 4.250 4.340 -0.009 0.000 0.208 229 L C 2.643 179.576 176.870 0.105 0.000 1.096 229 L CA 1.426 56.340 54.840 0.124 0.000 0.779 229 L CB -0.814 41.342 42.059 0.162 0.000 0.922 229 L HN 0.302 nan 8.230 nan 0.000 0.443 230 T N 0.198 114.805 114.554 0.088 0.000 2.777 230 T HA -0.132 4.213 4.350 -0.009 0.000 0.266 230 T C 2.063 176.871 174.700 0.180 0.000 1.040 230 T CA 1.326 63.490 62.100 0.106 0.000 1.141 230 T CB -0.117 68.763 68.868 0.020 0.000 0.868 230 T HN 0.427 nan 8.240 nan 0.000 0.444 231 A N 1.283 124.172 122.820 0.117 0.000 1.877 231 A HA -0.007 4.308 4.320 -0.009 0.000 0.216 231 A C 2.210 179.911 177.584 0.195 0.000 1.186 231 A CA 1.217 53.384 52.037 0.216 0.000 0.620 231 A CB -0.817 18.243 19.000 0.100 0.000 0.822 231 A HN 0.398 nan 8.150 nan 0.000 0.443 232 L N -0.769 120.527 121.223 0.122 0.000 2.141 232 L HA -0.081 4.254 4.340 -0.009 0.000 0.209 232 L C 2.210 179.136 176.870 0.093 0.000 1.094 232 L CA 1.755 56.652 54.840 0.094 0.000 0.763 232 L CB -0.642 41.462 42.059 0.076 0.000 0.908 232 L HN 0.383 nan 8.230 nan 0.000 0.437 233 L N -0.178 121.111 121.223 0.110 0.000 2.042 233 L HA -0.126 4.208 4.340 -0.009 0.000 0.210 233 L C 2.505 179.433 176.870 0.098 0.000 1.076 233 L CA 2.088 56.985 54.840 0.094 0.000 0.749 233 L CB -1.008 41.117 42.059 0.110 0.000 0.893 233 L HN 0.261 nan 8.230 nan 0.000 0.432 234 A N -0.799 122.113 122.820 0.153 0.000 1.940 234 A HA -0.226 4.089 4.320 -0.009 0.000 0.219 234 A C 2.127 179.735 177.584 0.040 0.000 1.176 234 A CA 1.853 53.944 52.037 0.089 0.000 0.631 234 A CB -0.647 18.420 19.000 0.112 0.000 0.814 234 A HN 0.646 nan 8.150 nan 0.000 0.446 235 E N -1.144 119.095 120.200 0.064 0.000 2.338 235 E HA -0.121 4.223 4.350 -0.009 0.000 0.197 235 E C 1.601 178.216 176.600 0.025 0.000 1.007 235 E CA 0.917 57.341 56.400 0.039 0.000 0.849 235 E CB -0.252 29.478 29.700 0.050 0.000 0.774 235 E HN 0.686 nan 8.360 nan 0.000 0.506 236 C N -0.049 119.267 119.300 0.028 0.000 2.634 236 C HA 0.172 4.626 4.460 -0.009 0.000 0.268 236 C C 1.694 176.687 174.990 0.006 0.000 1.322 236 C CA -0.024 59.003 59.018 0.015 0.000 1.737 236 C CB -0.155 27.593 27.740 0.013 0.000 1.976 236 C HN 0.316 nan 8.230 nan 0.000 0.547 237 L N -0.044 121.183 121.223 0.007 0.000 3.168 237 L HA 0.290 4.624 4.340 -0.009 0.000 0.277 237 L C 0.293 177.154 176.870 -0.015 0.000 1.245 237 L CA -0.078 54.761 54.840 -0.003 0.000 1.035 237 L CB -0.266 41.795 42.059 0.003 0.000 1.399 237 L HN 0.223 nan 8.230 nan 0.000 0.580 238 R N 0.666 121.156 120.500 -0.017 0.000 3.333 238 R HA -0.152 4.183 4.340 -0.009 0.000 0.256 238 R C 0.676 176.942 176.300 -0.057 0.000 1.010 238 R CA 0.446 56.528 56.100 -0.030 0.000 0.680 238 R CB -1.900 28.387 30.300 -0.023 0.000 1.102 238 R HN 0.506 nan 8.270 nan 0.000 0.440 239 G N 0.662 109.415 108.800 -0.079 0.000 2.544 239 G HA2 0.187 4.142 3.960 -0.009 0.000 0.242 239 G HA3 0.187 4.142 3.960 -0.009 0.000 0.242 239 G C 0.047 174.805 174.900 -0.235 0.000 1.247 239 G CA -0.569 44.439 45.100 -0.154 0.000 0.840 239 G HN 0.249 nan 8.290 nan 0.000 0.578 240 R N 0.719 121.048 120.500 -0.285 0.000 2.202 240 R HA 0.221 4.556 4.340 -0.009 0.000 0.334 240 R C 1.566 177.564 176.300 -0.502 0.000 1.036 240 R CA 0.182 56.111 56.100 -0.287 0.000 0.878 240 R CB 0.874 31.065 30.300 -0.182 0.000 1.067 240 R HN 0.713 nan 8.270 nan 0.000 0.457 241 T N -1.089 113.211 114.554 -0.423 0.000 3.035 241 T HA -0.143 4.202 4.350 -0.009 0.000 0.268 241 T C 1.418 175.967 174.700 -0.251 0.000 1.109 241 T CA 0.970 62.800 62.100 -0.450 0.000 1.119 241 T CB -0.037 68.717 68.868 -0.191 0.000 0.900 241 T HN 0.735 nan 8.240 nan 0.000 0.503 242 E N 1.748 121.843 120.200 -0.176 0.000 2.265 242 E HA -0.011 4.334 4.350 -0.009 0.000 0.196 242 E C 2.200 178.771 176.600 -0.049 0.000 0.996 242 E CA 0.888 57.242 56.400 -0.077 0.000 0.832 242 E CB -0.547 29.122 29.700 -0.051 0.000 0.756 242 E HN 0.621 nan 8.360 nan 0.000 0.491 243 A N 0.791 123.533 122.820 -0.130 0.000 2.119 243 A HA -0.076 4.238 4.320 -0.009 0.000 0.217 243 A C 0.975 178.695 177.584 0.227 0.000 1.153 243 A CA 0.601 52.630 52.037 -0.013 0.000 0.692 243 A CB -0.579 18.377 19.000 -0.074 0.000 0.799 243 A HN 0.481 nan 8.150 nan 0.000 0.458 244 W N -0.232 121.070 121.300 0.004 0.000 3.239 244 W HA 0.599 5.254 4.660 -0.008 0.000 0.368 244 W C 0.822 177.344 176.519 0.005 0.000 1.154 244 W CA -1.095 56.253 57.345 0.005 0.000 1.860 244 W CB -1.348 28.117 29.460 0.009 0.000 1.094 244 W HN 0.343 nan 8.180 nan 0.000 0.643 245 A N 0.871 123.802 122.820 0.186 0.000 2.498 245 A HA 0.417 4.732 4.320 -0.009 0.000 0.239 245 A C 1.685 179.322 177.584 0.090 0.000 1.068 245 A CA 0.719 52.821 52.037 0.108 0.000 0.766 245 A CB 0.566 19.602 19.000 0.061 0.000 1.003 245 A HN 0.259 nan 8.150 nan 0.000 0.497 246 A N 2.418 125.278 122.820 0.067 0.000 1.972 246 A HA 0.134 4.449 4.320 -0.009 0.000 0.219 246 A C 2.332 179.938 177.584 0.037 0.000 1.169 246 A CA 2.171 54.237 52.037 0.049 0.000 0.635 246 A CB -0.884 18.139 19.000 0.037 0.000 0.810 246 A HN 1.729 nan 8.150 nan 0.000 0.446 247 A N -0.198 122.642 122.820 0.033 0.000 1.940 247 A HA -0.068 4.247 4.320 -0.009 0.000 0.219 247 A C 2.121 179.719 177.584 0.023 0.000 1.176 247 A CA 1.509 53.560 52.037 0.022 0.000 0.631 247 A CB -0.530 18.481 19.000 0.019 0.000 0.814 247 A HN 0.492 nan 8.150 nan 0.000 0.446 248 L N -0.599 120.644 121.223 0.034 0.000 2.093 248 L HA -0.129 4.206 4.340 -0.009 0.000 0.208 248 L C 2.808 179.695 176.870 0.029 0.000 1.085 248 L CA 1.277 56.136 54.840 0.033 0.000 0.755 248 L CB -0.376 41.712 42.059 0.049 0.000 0.904 248 L HN 0.326 nan 8.230 nan 0.000 0.435 249 S N -0.270 115.451 115.700 0.035 0.000 2.368 249 S HA -0.179 4.285 4.470 -0.009 0.000 0.225 249 S C 1.500 176.106 174.600 0.010 0.000 1.030 249 S CA 1.336 59.553 58.200 0.030 0.000 0.999 249 S CB -0.283 62.938 63.200 0.035 0.000 0.844 249 S HN 0.446 nan 8.310 nan 0.000 0.459 250 D N 1.452 121.857 120.400 0.008 0.000 2.178 250 D HA -0.024 4.611 4.640 -0.009 0.000 0.201 250 D C 1.738 178.029 176.300 -0.016 0.000 0.980 250 D CA 0.695 54.692 54.000 -0.004 0.000 0.842 250 D CB -0.272 40.528 40.800 0.000 0.000 0.948 250 D HN 0.330 nan 8.370 nan 0.000 0.472 251 L N -0.515 120.702 121.223 -0.011 0.000 2.291 251 L HA 0.009 4.344 4.340 -0.009 0.000 0.214 251 L C 1.567 178.415 176.870 -0.036 0.000 1.120 251 L CA 0.538 55.367 54.840 -0.018 0.000 0.799 251 L CB 0.154 42.209 42.059 -0.008 0.000 0.925 251 L HN -0.174 nan 8.230 nan 0.000 0.446 252 R N 0.770 121.246 120.500 -0.039 0.000 2.644 252 R HA 0.191 4.525 4.340 -0.009 0.000 0.271 252 R C -2.212 174.022 176.300 -0.111 0.000 1.687 252 R CA -1.384 54.669 56.100 -0.078 0.000 1.655 252 R CB 0.887 31.183 30.300 -0.007 0.000 1.285 252 R HN -0.147 nan 8.270 nan 0.000 0.643 253 P HA -0.079 nan 4.420 nan 0.000 0.297 253 P C -0.685 176.540 177.300 -0.125 0.000 1.544 253 P CA 0.239 63.272 63.100 -0.112 0.000 0.798 253 P CB -0.345 31.302 31.700 -0.089 0.000 1.757 254 H N 0.866 119.936 119.070 0.000 0.000 2.767 254 H HA 0.093 4.644 4.556 -0.009 0.000 0.316 254 H C -1.316 174.023 175.328 0.019 0.000 1.059 254 H CA -1.495 54.556 56.048 0.004 0.000 1.461 254 H CB 0.547 30.307 29.762 -0.004 0.000 1.475 254 H HN 0.090 nan 8.280 nan 0.000 0.531 255 P HA -0.159 nan 4.420 nan 0.000 0.215 255 P C 1.648 179.021 177.300 0.122 0.000 1.157 255 P CA 1.678 64.840 63.100 0.103 0.000 0.874 255 P CB 0.117 31.871 31.700 0.090 0.000 0.790 256 G N -0.482 108.408 108.800 0.150 0.000 2.422 256 G HA2 -0.295 3.660 3.960 -0.009 0.000 0.218 256 G HA3 -0.295 3.660 3.960 -0.009 0.000 0.218 256 G C 1.668 176.666 174.900 0.164 0.000 1.146 256 G CA 0.651 45.870 45.100 0.199 0.000 0.769 256 G HN 0.325 nan 8.290 nan 0.000 0.547 257 Q N 0.092 119.953 119.800 0.101 0.000 2.083 257 Q HA -0.048 4.286 4.340 -0.009 0.000 0.198 257 Q C 2.461 178.494 176.000 0.055 0.000 0.969 257 Q CA 1.443 57.276 55.803 0.051 0.000 0.838 257 Q CB -0.187 28.595 28.738 0.072 0.000 0.900 257 Q HN 0.507 nan 8.270 nan 0.000 0.436 258 K N 0.206 120.649 120.400 0.072 0.000 2.057 258 K HA -0.229 4.085 4.320 -0.009 0.000 0.207 258 K C 1.656 178.287 176.600 0.051 0.000 1.049 258 K CA 1.889 58.208 56.287 0.052 0.000 0.931 258 K CB -0.163 32.365 32.500 0.046 0.000 0.714 258 K HN 0.181 nan 8.250 nan 0.000 0.440 259 D N -0.103 120.343 120.400 0.078 0.000 2.097 259 D HA -0.107 4.527 4.640 -0.009 0.000 0.195 259 D C 1.716 178.074 176.300 0.097 0.000 0.989 259 D CA 1.523 55.570 54.000 0.077 0.000 0.827 259 D CB -0.071 40.782 40.800 0.089 0.000 0.966 259 D HN 0.331 nan 8.370 nan 0.000 0.456 260 A N 0.573 123.488 122.820 0.159 0.000 1.883 260 A HA -0.021 4.293 4.320 -0.009 0.000 0.217 260 A C 2.397 179.937 177.584 -0.072 0.000 1.186 260 A CA 2.476 54.578 52.037 0.108 0.000 0.624 260 A CB -1.197 17.783 19.000 -0.034 0.000 0.822 260 A HN 0.327 nan 8.150 nan 0.000 0.444 261 A N -0.269 122.507 122.820 -0.074 0.000 1.902 261 A HA 0.157 4.472 4.320 -0.009 0.000 0.217 261 A C 2.516 180.074 177.584 -0.043 0.000 1.181 261 A CA 2.178 54.156 52.037 -0.098 0.000 0.623 261 A CB -1.036 17.965 19.000 0.002 0.000 0.818 261 A HN 1.094 nan 8.150 nan 0.000 0.443 262 A N -0.251 122.566 122.820 -0.006 0.000 1.902 262 A HA -0.154 4.160 4.320 -0.009 0.000 0.217 262 A C 2.234 179.811 177.584 -0.013 0.000 1.181 262 A CA 1.594 53.635 52.037 0.007 0.000 0.623 262 A CB -0.430 18.576 19.000 0.011 0.000 0.818 262 A HN 0.546 nan 8.150 nan 0.000 0.443 263 R N -0.632 119.849 120.500 -0.032 0.000 2.092 263 R HA 0.025 4.360 4.340 -0.009 0.000 0.231 263 R C 2.009 178.259 176.300 -0.084 0.000 1.119 263 R CA 1.261 57.332 56.100 -0.048 0.000 0.970 263 R CB -0.437 29.842 30.300 -0.035 0.000 0.864 263 R HN 0.503 nan 8.270 nan 0.000 0.440 264 L N 0.145 121.264 121.223 -0.173 0.000 2.056 264 L HA -0.154 4.180 4.340 -0.009 0.000 0.207 264 L C 2.530 179.387 176.870 -0.022 0.000 1.078 264 L CA 1.391 56.046 54.840 -0.310 0.000 0.749 264 L CB -0.334 41.163 42.059 -0.937 0.000 0.901 264 L HN 0.137 nan 8.230 nan 0.000 0.433 265 R N -0.068 120.476 120.500 0.073 0.000 2.091 265 R HA -0.157 4.177 4.340 -0.009 0.000 0.238 265 R C 2.407 178.766 176.300 0.098 0.000 1.136 265 R CA 1.383 57.585 56.100 0.170 0.000 0.959 265 R CB -0.574 29.806 30.300 0.134 0.000 0.856 265 R HN 0.364 nan 8.270 nan 0.000 0.437 266 A N 1.387 124.232 122.820 0.042 0.000 1.902 266 A HA -0.154 4.160 4.320 -0.009 0.000 0.217 266 A C 2.062 179.659 177.584 0.022 0.000 1.181 266 A CA 1.129 53.179 52.037 0.021 0.000 0.623 266 A CB -0.282 18.715 19.000 -0.005 0.000 0.818 266 A HN 0.108 nan 8.150 nan 0.000 0.443 267 R N -0.209 120.301 120.500 0.017 0.000 2.096 267 R HA -0.116 4.218 4.340 -0.009 0.000 0.235 267 R C 1.920 178.255 176.300 0.058 0.000 1.127 267 R CA 1.748 57.859 56.100 0.018 0.000 0.968 267 R CB -1.328 28.972 30.300 0.001 0.000 0.861 267 R HN 0.677 nan 8.270 nan 0.000 0.440 268 V N -0.920 119.059 119.914 0.110 0.000 3.633 268 V HA 0.108 4.223 4.120 -0.009 0.000 0.283 268 V C 0.233 176.372 176.094 0.074 0.000 1.305 268 V CA -0.573 61.796 62.300 0.116 0.000 1.153 268 V CB -0.534 31.402 31.823 0.189 0.000 0.950 268 V HN -0.083 nan 8.190 nan 0.000 0.432 269 D N 1.494 121.928 120.400 0.058 0.000 2.493 269 D HA 0.404 5.038 4.640 -0.009 0.000 0.240 269 D C 1.459 177.774 176.300 0.026 0.000 1.142 269 D CA 1.959 55.981 54.000 0.037 0.000 0.872 269 D CB 0.526 41.343 40.800 0.027 0.000 1.173 269 D HN 0.565 nan 8.370 nan 0.000 0.467 270 G N 2.383 111.194 108.800 0.018 0.000 2.199 270 G HA2 -0.265 3.689 3.960 -0.009 0.000 0.254 270 G HA3 -0.265 3.689 3.960 -0.009 0.000 0.254 270 G C 0.475 175.383 174.900 0.014 0.000 0.982 270 G CA 0.346 45.454 45.100 0.013 0.000 0.632 270 G HN 0.797 nan 8.290 nan 0.000 0.529 271 S N 0.169 115.881 115.700 0.020 0.000 2.565 271 S HA 0.655 5.119 4.470 -0.009 0.000 0.276 271 S C 1.260 175.866 174.600 0.009 0.000 1.326 271 S CA 0.820 59.031 58.200 0.019 0.000 1.045 271 S CB 1.302 64.519 63.200 0.029 0.000 0.918 271 S HN 1.608 nan 8.310 nan 0.000 0.505 272 A N 5.176 128.002 122.820 0.009 0.000 2.470 272 A HA 0.330 4.645 4.320 -0.009 0.000 0.251 272 A C 1.736 179.324 177.584 0.007 0.000 1.245 272 A CA -0.346 51.695 52.037 0.007 0.000 0.932 272 A CB 0.083 19.088 19.000 0.009 0.000 1.037 272 A HN 0.729 nan 8.150 nan 0.000 0.522 273 R N -0.127 120.377 120.500 0.007 0.000 2.265 273 R HA 0.106 4.440 4.340 -0.009 0.000 0.194 273 R C 0.752 177.049 176.300 -0.005 0.000 0.931 273 R CA 0.904 57.007 56.100 0.005 0.000 1.032 273 R CB -0.385 29.922 30.300 0.011 0.000 0.980 273 R HN 0.491 nan 8.270 nan 0.000 0.497 274 V N -1.242 118.663 119.914 -0.014 0.000 2.997 274 V HA 0.448 4.563 4.120 -0.009 0.000 0.311 274 V C 0.480 176.550 176.094 -0.041 0.000 1.066 274 V CA -0.944 61.329 62.300 -0.044 0.000 1.039 274 V CB 1.994 33.778 31.823 -0.066 0.000 1.081 274 V HN -0.262 nan 8.190 nan 0.000 0.467 275 V N 4.009 123.887 119.914 -0.061 0.000 2.364 275 V HA 0.448 4.562 4.120 -0.009 0.000 0.272 275 V C 1.035 177.096 176.094 -0.055 0.000 1.036 275 V CA -0.259 62.029 62.300 -0.020 0.000 0.880 275 V CB 0.701 32.517 31.823 -0.013 0.000 0.991 275 V HN 0.937 nan 8.190 nan 0.000 0.460 276 R N 1.552 122.016 120.500 -0.060 0.000 2.334 276 R HA 0.195 4.529 4.340 -0.009 0.000 0.212 276 R C -0.066 176.144 176.300 -0.150 0.000 0.897 276 R CA -0.184 55.840 56.100 -0.127 0.000 1.056 276 R CB 0.200 30.402 30.300 -0.163 0.000 1.046 276 R HN 0.723 nan 8.270 nan 0.000 0.513 277 H N 0.161 119.205 119.070 -0.042 0.000 2.848 277 H HA 0.059 4.610 4.556 -0.009 0.000 0.341 277 H C -0.212 175.095 175.328 -0.036 0.000 1.060 277 H CA 0.056 56.085 56.048 -0.033 0.000 1.444 277 H CB 0.938 30.684 29.762 -0.028 0.000 1.446 277 H HN -0.201 nan 8.280 nan 0.000 0.583 278 V N 6.184 126.144 119.914 0.078 0.000 2.427 278 V HA -0.044 4.071 4.120 -0.009 0.000 0.268 278 V C 1.802 177.925 176.094 0.048 0.000 1.046 278 V CA 0.091 62.413 62.300 0.037 0.000 0.970 278 V CB -0.175 31.660 31.823 0.020 0.000 1.001 278 V HN 0.788 nan 8.190 nan 0.000 0.476 279 I N 3.354 123.941 120.570 0.028 0.000 2.335 279 I HA -0.143 4.021 4.170 -0.009 0.000 0.251 279 I C 2.101 178.225 176.117 0.011 0.000 1.129 279 I CA 1.978 63.288 61.300 0.016 0.000 1.402 279 I CB -0.282 37.720 38.000 0.004 0.000 1.069 279 I HN 0.554 nan 8.210 nan 0.000 0.424 280 A N 0.900 123.727 122.820 0.012 0.000 2.172 280 A HA -0.097 4.217 4.320 -0.009 0.000 0.216 280 A C 2.149 179.739 177.584 0.011 0.000 1.154 280 A CA 1.099 53.141 52.037 0.009 0.000 0.701 280 A CB -0.528 18.476 19.000 0.008 0.000 0.789 280 A HN 0.526 nan 8.150 nan 0.000 0.465 281 E N 0.092 120.303 120.200 0.018 0.000 2.152 281 E HA -0.115 4.230 4.350 -0.009 0.000 0.192 281 E C 1.171 177.778 176.600 0.013 0.000 0.983 281 E CA 0.219 56.632 56.400 0.021 0.000 0.818 281 E CB -0.236 29.488 29.700 0.040 0.000 0.758 281 E HN 0.640 nan 8.360 nan 0.000 0.467 282 R N 1.806 122.310 120.500 0.006 0.000 2.484 282 R HA 0.026 4.361 4.340 -0.009 0.000 0.293 282 R C -0.344 175.953 176.300 -0.005 0.000 1.023 282 R CA 0.152 56.248 56.100 -0.006 0.000 1.037 282 R CB 0.373 30.662 30.300 -0.018 0.000 0.951 282 R HN -0.109 nan 8.270 nan 0.000 0.418 283 R N 5.436 125.932 120.500 -0.007 0.000 2.255 283 R HA 0.295 4.629 4.340 -0.009 0.000 0.326 283 R C -0.460 175.834 176.300 -0.009 0.000 0.986 283 R CA -0.633 55.464 56.100 -0.006 0.000 0.847 283 R CB 1.172 31.470 30.300 -0.004 0.000 1.111 283 R HN 0.473 nan 8.270 nan 0.000 0.452 284 L N 2.670 123.888 121.223 -0.008 0.000 2.379 284 L HA 0.364 4.699 4.340 -0.009 0.000 0.269 284 L C 0.171 177.037 176.870 -0.008 0.000 1.084 284 L CA -0.549 54.286 54.840 -0.009 0.000 0.802 284 L CB 0.882 42.936 42.059 -0.008 0.000 1.175 284 L HN 0.682 nan 8.230 nan 0.000 0.448 285 D N 0.617 121.012 120.400 -0.008 0.000 2.614 285 D HA 0.432 5.067 4.640 -0.009 0.000 0.264 285 D C 0.518 176.814 176.300 -0.007 0.000 1.092 285 D CA -0.323 53.672 54.000 -0.007 0.000 1.071 285 D CB 1.270 42.066 40.800 -0.007 0.000 1.443 285 D HN 0.421 nan 8.370 nan 0.000 0.528 286 A N -0.039 122.777 122.820 -0.006 0.000 1.958 286 A HA -0.010 4.305 4.320 -0.009 0.000 0.221 286 A C 2.011 179.591 177.584 -0.007 0.000 1.178 286 A CA 2.314 54.348 52.037 -0.006 0.000 0.642 286 A CB -1.647 17.350 19.000 -0.005 0.000 0.816 286 A HN 0.719 nan 8.150 nan 0.000 0.453 287 G N -1.198 107.597 108.800 -0.008 0.000 2.598 287 G HA2 -0.076 3.878 3.960 -0.009 0.000 0.215 287 G HA3 -0.076 3.878 3.960 -0.009 0.000 0.215 287 G C 0.905 175.799 174.900 -0.010 0.000 1.131 287 G CA 0.974 46.069 45.100 -0.009 0.000 0.785 287 G HN 0.529 nan 8.290 nan 0.000 0.539 288 D N 0.217 120.611 120.400 -0.011 0.000 2.327 288 D HA 0.038 4.673 4.640 -0.009 0.000 0.205 288 D C 0.983 177.276 176.300 -0.011 0.000 0.989 288 D CA -0.128 53.865 54.000 -0.012 0.000 0.873 288 D CB 0.546 41.337 40.800 -0.014 0.000 0.955 288 D HN 0.123 nan 8.370 nan 0.000 0.515 289 I N 1.622 122.187 120.570 -0.009 0.000 2.668 289 I HA 0.269 4.434 4.170 -0.009 0.000 0.285 289 I C 1.385 177.498 176.117 -0.008 0.000 1.168 289 I CA 0.901 62.196 61.300 -0.008 0.000 1.424 289 I CB -0.028 37.968 38.000 -0.006 0.000 1.377 289 I HN 0.025 nan 8.210 nan 0.000 0.560 290 G N 5.465 114.260 108.800 -0.008 0.000 2.351 290 G HA2 0.100 4.054 3.960 -0.009 0.000 0.279 290 G HA3 0.100 4.054 3.960 -0.009 0.000 0.279 290 G C -1.090 173.805 174.900 -0.009 0.000 1.297 290 G CA -0.764 44.331 45.100 -0.008 0.000 0.886 290 G HN 0.420 nan 8.290 nan 0.000 0.493 291 T N 1.993 116.541 114.554 -0.009 0.000 2.744 291 T HA 0.550 4.895 4.350 -0.009 0.000 0.291 291 T C -0.069 174.624 174.700 -0.011 0.000 0.957 291 T CA -0.208 61.886 62.100 -0.010 0.000 1.002 291 T CB 1.271 70.133 68.868 -0.009 0.000 0.919 291 T HN 0.441 nan 8.240 nan 0.000 0.468 292 E N 3.231 123.424 120.200 -0.012 0.000 2.283 292 E HA 0.194 4.538 4.350 -0.009 0.000 0.267 292 E C -1.339 175.252 176.600 -0.015 0.000 1.045 292 E CA -2.034 54.357 56.400 -0.015 0.000 0.884 292 E CB 0.795 30.485 29.700 -0.016 0.000 1.106 292 E HN 0.334 nan 8.360 nan 0.000 0.408 293 P HA -0.133 nan 4.420 nan 0.000 0.215 293 P C -0.503 176.787 177.300 -0.016 0.000 1.153 293 P CA 1.441 64.531 63.100 -0.015 0.000 0.853 293 P CB 0.326 32.016 31.700 -0.016 0.000 0.788 294 E N -1.883 118.306 120.200 -0.017 0.000 2.393 294 E HA 0.604 4.949 4.350 -0.009 0.000 0.273 294 E C -0.938 175.653 176.600 -0.016 0.000 0.918 294 E CA -1.122 55.268 56.400 -0.017 0.000 0.773 294 E CB 1.975 31.664 29.700 -0.019 0.000 1.275 294 E HN -0.094 nan 8.360 nan 0.000 0.451 295 A N 0.494 123.306 122.820 -0.014 0.000 2.346 295 A HA 0.423 4.737 4.320 -0.009 0.000 0.252 295 A C 1.168 178.746 177.584 -0.010 0.000 1.089 295 A CA 0.393 52.424 52.037 -0.010 0.000 0.797 295 A CB 0.071 19.068 19.000 -0.006 0.000 1.047 295 A HN 0.780 nan 8.150 nan 0.000 0.494 296 G N -0.689 108.107 108.800 -0.007 0.000 2.848 296 G HA2 0.280 4.235 3.960 -0.009 0.000 0.208 296 G HA3 0.280 4.235 3.960 -0.009 0.000 0.208 296 G C 0.447 175.342 174.900 -0.008 0.000 1.152 296 G CA 0.364 45.459 45.100 -0.008 0.000 0.789 296 G HN 0.713 nan 8.290 nan 0.000 0.531 297 Q N 0.112 119.913 119.800 0.000 0.000 2.389 297 Q HA 0.295 4.630 4.340 -0.009 0.000 0.277 297 Q C -1.469 174.539 176.000 0.014 0.000 1.082 297 Q CA -1.027 54.780 55.803 0.007 0.000 0.810 297 Q CB 2.085 30.844 28.738 0.034 0.000 1.374 297 Q HN 0.023 nan 8.270 nan 0.000 0.422 298 D N 0.757 121.164 120.400 0.012 0.000 2.377 298 D HA 0.342 4.977 4.640 -0.009 0.000 0.245 298 D C -0.148 176.203 176.300 0.084 0.000 1.196 298 D CA -0.022 53.993 54.000 0.025 0.000 0.962 298 D CB 0.851 41.654 40.800 0.005 0.000 1.127 298 D HN 0.623 nan 8.370 nan 0.000 0.471 299 A N 0.571 123.431 122.820 0.067 0.000 2.386 299 A HA 0.006 4.320 4.320 -0.009 0.000 0.246 299 A C 0.663 178.381 177.584 0.224 0.000 1.089 299 A CA -0.112 51.967 52.037 0.069 0.000 0.790 299 A CB -0.071 18.934 19.000 0.009 0.000 1.042 299 A HN 0.541 nan 8.150 nan 0.000 0.497 300 Y N 0.913 121.230 120.300 0.028 0.000 2.256 300 Y HA -0.193 4.352 4.550 -0.009 0.000 0.288 300 Y C 2.890 178.824 175.900 0.056 0.000 1.155 300 Y CA 1.561 59.684 58.100 0.039 0.000 1.203 300 Y CB -1.327 37.147 38.460 0.024 0.000 0.980 300 Y HN 0.744 nan 8.280 nan 0.000 0.530 301 S N -1.070 114.756 115.700 0.211 0.000 2.500 301 S HA -0.087 4.377 4.470 -0.009 0.000 0.239 301 S C 1.760 176.465 174.600 0.174 0.000 0.989 301 S CA 1.014 59.305 58.200 0.152 0.000 0.951 301 S CB -0.524 62.740 63.200 0.107 0.000 0.759 301 S HN 0.456 nan 8.310 nan 0.000 0.523 302 L N -0.348 120.999 121.223 0.206 0.000 2.588 302 L HA 0.363 4.698 4.340 -0.009 0.000 0.194 302 L C 2.721 179.810 176.870 0.365 0.000 1.070 302 L CA 0.192 55.205 54.840 0.289 0.000 0.852 302 L CB -0.224 41.943 42.059 0.180 0.000 1.199 302 L HN 0.163 nan 8.230 nan 0.000 0.486 303 R N -0.008 120.627 120.500 0.225 0.000 2.096 303 R HA -0.140 4.194 4.340 -0.009 0.000 0.235 303 R C 1.499 177.908 176.300 0.182 0.000 1.127 303 R CA 1.794 58.004 56.100 0.183 0.000 0.968 303 R CB -0.183 30.191 30.300 0.123 0.000 0.861 303 R HN 0.394 nan 8.270 nan 0.000 0.440 304 C N 0.246 119.612 119.300 0.110 0.000 2.688 304 C HA 0.441 4.895 4.460 -0.009 0.000 0.297 304 C C 2.091 177.092 174.990 0.017 0.000 1.308 304 C CA -0.392 58.625 59.018 -0.001 0.000 1.726 304 C CB -0.367 27.274 27.740 -0.165 0.000 1.982 304 C HN 0.618 nan 8.230 nan 0.000 0.604 305 A N 2.659 125.532 122.820 0.089 0.000 1.908 305 A HA -0.097 4.218 4.320 -0.009 0.000 0.218 305 A C 0.010 177.506 177.584 -0.147 0.000 1.181 305 A CA 1.781 53.803 52.037 -0.025 0.000 0.627 305 A CB -1.523 17.464 19.000 -0.021 0.000 0.818 305 A HN 0.419 nan 8.150 nan 0.000 0.445 306 P HA -0.145 nan 4.420 nan 0.000 0.216 306 P C 1.251 178.472 177.300 -0.132 0.000 1.150 306 P CA 1.456 64.458 63.100 -0.163 0.000 0.837 306 P CB -0.037 31.615 31.700 -0.080 0.000 0.786 307 Q N -1.032 118.712 119.800 -0.093 0.000 2.083 307 Q HA -0.067 4.268 4.340 -0.009 0.000 0.198 307 Q C 2.114 178.025 176.000 -0.147 0.000 0.969 307 Q CA 1.176 56.920 55.803 -0.099 0.000 0.838 307 Q CB -1.272 27.418 28.738 -0.081 0.000 0.900 307 Q HN 0.093 nan 8.270 nan 0.000 0.436 308 V N 0.276 120.100 119.914 -0.150 0.000 2.283 308 V HA -0.190 3.924 4.120 -0.009 0.000 0.243 308 V C 2.076 178.013 176.094 -0.261 0.000 1.039 308 V CA 1.399 63.599 62.300 -0.167 0.000 1.016 308 V CB -0.583 31.170 31.823 -0.116 0.000 0.650 308 V HN 0.295 nan 8.190 nan 0.000 0.449 309 L N 0.635 121.653 121.223 -0.342 0.000 2.042 309 L HA -0.107 4.228 4.340 -0.009 0.000 0.210 309 L C 2.672 179.009 176.870 -0.889 0.000 1.076 309 L CA 1.821 56.266 54.840 -0.660 0.000 0.749 309 L CB -1.231 40.419 42.059 -0.680 0.000 0.893 309 L HN 0.487 nan 8.230 nan 0.000 0.432 310 G N -0.383 108.117 108.800 -0.501 0.000 2.440 310 G HA2 -0.264 3.690 3.960 -0.009 0.000 0.218 310 G HA3 -0.264 3.690 3.960 -0.009 0.000 0.218 310 G C 1.761 176.559 174.900 -0.171 0.000 1.154 310 G CA 0.859 45.802 45.100 -0.262 0.000 0.767 310 G HN 0.481 nan 8.290 nan 0.000 0.552 311 A N 0.762 123.458 122.820 -0.207 0.000 1.930 311 A HA 0.201 4.515 4.320 -0.009 0.000 0.217 311 A C 2.691 180.210 177.584 -0.107 0.000 1.175 311 A CA 1.986 53.922 52.037 -0.168 0.000 0.627 311 A CB -0.936 17.955 19.000 -0.182 0.000 0.815 311 A HN 0.506 nan 8.150 nan 0.000 0.443 312 G N -1.071 107.631 108.800 -0.163 0.000 2.402 312 G HA2 -0.111 3.843 3.960 -0.009 0.000 0.216 312 G HA3 -0.111 3.843 3.960 -0.009 0.000 0.216 312 G C 1.280 176.266 174.900 0.143 0.000 1.162 312 G CA 1.020 46.075 45.100 -0.075 0.000 0.777 312 G HN 0.376 nan 8.290 nan 0.000 0.539 313 F N 1.693 121.649 119.950 0.009 0.000 2.186 313 F HA 0.040 4.561 4.527 -0.010 0.000 0.299 313 F C 2.292 178.118 175.800 0.043 0.000 1.090 313 F CA 0.370 58.388 58.000 0.029 0.000 1.307 313 F CB -0.612 38.398 39.000 0.017 0.000 1.019 313 F HN 0.115 nan 8.300 nan 0.000 0.489 314 D N -0.592 119.936 120.400 0.213 0.000 2.178 314 D HA -0.098 4.536 4.640 -0.009 0.000 0.202 314 D C 2.210 178.620 176.300 0.183 0.000 0.974 314 D CA 1.372 55.465 54.000 0.154 0.000 0.841 314 D CB -0.347 40.493 40.800 0.067 0.000 0.953 314 D HN 0.196 nan 8.370 nan 0.000 0.478 315 T N 1.168 115.823 114.554 0.168 0.000 2.777 315 T HA -0.114 4.231 4.350 -0.009 0.000 0.266 315 T C 1.901 176.770 174.700 0.283 0.000 1.040 315 T CA 0.387 62.627 62.100 0.234 0.000 1.141 315 T CB -0.207 68.750 68.868 0.149 0.000 0.868 315 T HN 0.042 nan 8.240 nan 0.000 0.444 316 L N 1.496 122.844 121.223 0.208 0.000 2.083 316 L HA 0.118 4.452 4.340 -0.009 0.000 0.209 316 L C 2.543 179.533 176.870 0.201 0.000 1.083 316 L CA 1.667 56.606 54.840 0.164 0.000 0.752 316 L CB -0.981 41.156 42.059 0.131 0.000 0.899 316 L HN 0.212 nan 8.230 nan 0.000 0.433 317 A N -1.198 121.743 122.820 0.201 0.000 1.902 317 A HA -0.269 4.046 4.320 -0.009 0.000 0.217 317 A C 2.120 179.847 177.584 0.238 0.000 1.181 317 A CA 1.675 53.819 52.037 0.179 0.000 0.623 317 A CB -1.413 17.683 19.000 0.160 0.000 0.818 317 A HN 0.733 nan 8.150 nan 0.000 0.443 318 W N 0.385 121.744 121.300 0.099 0.000 2.379 318 W HA -0.182 4.467 4.660 -0.019 0.000 0.307 318 W C 2.252 178.839 176.519 0.113 0.000 1.200 318 W CA 1.897 59.296 57.345 0.090 0.000 1.297 318 W CB -0.738 28.768 29.460 0.077 0.000 1.140 318 W HN 0.627 nan 8.180 nan 0.000 0.507 319 H N 0.148 119.169 119.070 -0.081 0.000 2.319 319 H HA -0.173 4.379 4.556 -0.008 0.000 0.297 319 H C 1.356 176.577 175.328 -0.180 0.000 1.097 319 H CA 2.404 58.300 56.048 -0.254 0.000 1.285 319 H CB -0.529 29.192 29.762 -0.069 0.000 1.368 319 H HN 0.059 nan 8.280 nan 0.000 0.495 320 D N 0.222 120.677 120.400 0.092 0.000 2.178 320 D HA -0.071 4.564 4.640 -0.009 0.000 0.202 320 D C 2.583 178.854 176.300 -0.048 0.000 0.974 320 D CA 0.536 54.556 54.000 0.035 0.000 0.841 320 D CB -0.192 40.671 40.800 0.105 0.000 0.953 320 D HN 0.405 nan 8.370 nan 0.000 0.478 321 R N 0.301 120.781 120.500 -0.035 0.000 2.066 321 R HA -0.048 4.286 4.340 -0.009 0.000 0.232 321 R C 2.337 178.580 176.300 -0.094 0.000 1.131 321 R CA 0.747 56.835 56.100 -0.020 0.000 0.955 321 R CB -0.466 29.869 30.300 0.058 0.000 0.851 321 R HN 0.096 nan 8.270 nan 0.000 0.432 322 V N 1.492 121.272 119.914 -0.225 0.000 2.343 322 V HA -0.219 3.896 4.120 -0.009 0.000 0.247 322 V C 2.230 178.181 176.094 -0.237 0.000 1.051 322 V CA 1.404 63.551 62.300 -0.255 0.000 1.036 322 V CB -0.444 31.112 31.823 -0.445 0.000 0.654 322 V HN 0.225 nan 8.190 nan 0.000 0.451 323 L N 0.007 121.049 121.223 -0.301 0.000 2.083 323 L HA -0.135 4.199 4.340 -0.009 0.000 0.209 323 L C 2.446 179.232 176.870 -0.140 0.000 1.083 323 L CA 2.345 57.033 54.840 -0.253 0.000 0.752 323 L CB -0.990 40.870 42.059 -0.332 0.000 0.899 323 L HN 0.329 nan 8.230 nan 0.000 0.433 324 T N -0.108 114.389 114.554 -0.094 0.000 2.720 324 T HA -0.169 4.175 4.350 -0.009 0.000 0.268 324 T C 1.960 176.646 174.700 -0.023 0.000 1.037 324 T CA 2.041 64.120 62.100 -0.035 0.000 1.144 324 T CB -0.299 68.590 68.868 0.035 0.000 0.864 324 T HN 0.323 nan 8.240 nan 0.000 0.444 325 I N 0.607 121.151 120.570 -0.043 0.000 2.202 325 I HA -0.139 4.026 4.170 -0.009 0.000 0.242 325 I C 2.714 178.781 176.117 -0.083 0.000 1.091 325 I CA 1.263 62.534 61.300 -0.049 0.000 1.368 325 I CB -0.294 37.656 38.000 -0.085 0.000 1.058 325 I HN 0.203 nan 8.210 nan 0.000 0.410 326 E N 1.272 121.402 120.200 -0.118 0.000 2.077 326 E HA -0.260 4.085 4.350 -0.009 0.000 0.193 326 E C 2.033 178.582 176.600 -0.084 0.000 0.989 326 E CA 1.285 57.616 56.400 -0.115 0.000 0.800 326 E CB -0.275 29.352 29.700 -0.122 0.000 0.746 326 E HN 0.310 nan 8.360 nan 0.000 0.452 327 L N 0.973 122.146 121.223 -0.084 0.000 2.042 327 L HA -0.108 4.227 4.340 -0.009 0.000 0.210 327 L C 1.227 178.051 176.870 -0.077 0.000 1.076 327 L CA 1.847 56.639 54.840 -0.079 0.000 0.749 327 L CB -0.437 41.567 42.059 -0.092 0.000 0.893 327 L HN 0.150 nan 8.230 nan 0.000 0.432 328 N N -0.073 118.584 118.700 -0.072 0.000 2.322 328 N HA 0.188 4.923 4.740 -0.009 0.000 0.194 328 N C 0.324 175.820 175.510 -0.024 0.000 1.126 328 N CA 0.622 53.643 53.050 -0.048 0.000 0.845 328 N CB 0.210 38.693 38.487 -0.006 0.000 0.976 328 N HN 0.432 nan 8.380 nan 0.000 0.475 329 A N 0.249 123.044 122.820 -0.041 0.000 2.248 329 A HA 0.579 4.893 4.320 -0.009 0.000 0.316 329 A C 0.011 177.573 177.584 -0.037 0.000 1.101 329 A CA -0.391 51.621 52.037 -0.043 0.000 0.875 329 A CB 1.014 19.973 19.000 -0.069 0.000 1.207 329 A HN -0.038 nan 8.150 nan 0.000 0.504 330 V N 1.210 121.101 119.914 -0.037 0.000 2.311 330 V HA 0.316 4.431 4.120 -0.009 0.000 0.275 330 V C 0.852 176.924 176.094 -0.037 0.000 1.022 330 V CA 0.402 62.685 62.300 -0.028 0.000 0.830 330 V CB 0.683 32.491 31.823 -0.025 0.000 1.012 330 V HN 1.038 nan 8.190 nan 0.000 0.452 331 T N -0.758 113.783 114.554 -0.020 0.000 3.186 331 T HA 0.217 4.561 4.350 -0.009 0.000 0.257 331 T C 0.154 174.876 174.700 0.037 0.000 1.029 331 T CA -0.537 61.557 62.100 -0.010 0.000 0.916 331 T CB -0.302 68.570 68.868 0.006 0.000 1.041 331 T HN 0.531 nan 8.240 nan 0.000 0.562 332 D N 2.471 122.883 120.400 0.020 0.000 2.360 332 D HA 0.511 5.145 4.640 -0.009 0.000 0.242 332 D C -0.063 176.257 176.300 0.034 0.000 1.184 332 D CA 0.055 54.080 54.000 0.041 0.000 0.930 332 D CB 0.470 41.276 40.800 0.010 0.000 1.161 332 D HN 0.349 nan 8.370 nan 0.000 0.447 333 N N -0.035 118.708 118.700 0.072 0.000 2.537 333 N HA 0.262 4.997 4.740 -0.009 0.000 0.281 333 N C -2.942 172.591 175.510 0.038 0.000 1.097 333 N CA -1.286 51.786 53.050 0.036 0.000 0.964 333 N CB 1.754 40.400 38.487 0.265 0.000 1.588 333 N HN 0.021 nan 8.380 nan 0.000 0.511 334 P HA 0.296 nan 4.420 nan 0.000 0.277 334 P C -0.884 176.092 177.300 -0.539 0.000 1.276 334 P CA -0.417 62.405 63.100 -0.464 0.000 0.788 334 P CB 0.889 32.129 31.700 -0.765 0.000 1.114 335 V N -3.525 116.003 119.914 -0.645 0.000 2.914 335 V HA 0.600 4.714 4.120 -0.009 0.000 0.314 335 V C -0.894 174.770 176.094 -0.717 0.000 1.084 335 V CA -0.909 61.050 62.300 -0.568 0.000 0.963 335 V CB 1.580 33.255 31.823 -0.248 0.000 1.025 335 V HN 0.225 nan 8.190 nan 0.000 0.432 336 F N 2.299 122.235 119.950 -0.022 0.000 2.311 336 F HA 0.598 5.124 4.527 -0.003 0.000 0.371 336 F C -2.393 173.403 175.800 -0.007 0.000 1.083 336 F CA -2.603 55.391 58.000 -0.010 0.000 1.113 336 F CB 1.268 40.268 39.000 -0.000 0.000 1.349 336 F HN 0.289 nan 8.300 nan 0.000 0.470 337 P HA -0.009 nan 4.420 nan 0.000 0.258 337 P C -1.980 175.364 177.300 0.074 0.000 1.172 337 P CA -0.603 62.533 63.100 0.060 0.000 0.762 337 P CB 0.428 32.151 31.700 0.038 0.000 0.764 338 P HA -0.185 nan 4.420 nan 0.000 0.219 338 P C 0.762 178.083 177.300 0.035 0.000 1.146 338 P CA 1.343 64.470 63.100 0.046 0.000 0.808 338 P CB -0.074 31.646 31.700 0.033 0.000 0.779 339 D N -2.027 118.391 120.400 0.030 0.000 2.323 339 D HA 0.049 4.684 4.640 -0.009 0.000 0.209 339 D C 1.450 177.767 176.300 0.028 0.000 0.973 339 D CA 0.891 54.905 54.000 0.024 0.000 0.874 339 D CB -1.128 39.682 40.800 0.018 0.000 0.930 339 D HN 0.158 nan 8.370 nan 0.000 0.521 340 G N 0.127 108.950 108.800 0.039 0.000 2.143 340 G HA2 -0.367 3.587 3.960 -0.009 0.000 0.248 340 G HA3 -0.367 3.587 3.960 -0.009 0.000 0.248 340 G C 1.235 176.158 174.900 0.040 0.000 0.991 340 G CA 1.052 46.178 45.100 0.044 0.000 0.689 340 G HN 0.651 nan 8.290 nan 0.000 0.522 341 S N -1.400 114.321 115.700 0.034 0.000 2.374 341 S HA 0.160 4.624 4.470 -0.009 0.000 0.227 341 S C 1.224 175.845 174.600 0.035 0.000 1.037 341 S CA 2.122 60.339 58.200 0.028 0.000 1.024 341 S CB -0.431 62.782 63.200 0.021 0.000 0.861 341 S HN 2.090 nan 8.310 nan 0.000 0.456 342 V N -3.835 116.106 119.914 0.046 0.000 3.114 342 V HA 0.566 4.681 4.120 -0.009 0.000 0.308 342 V C -2.515 173.630 176.094 0.085 0.000 1.168 342 V CA -2.130 60.204 62.300 0.057 0.000 1.015 342 V CB 1.197 33.049 31.823 0.048 0.000 1.050 342 V HN -0.118 nan 8.190 nan 0.000 0.433 343 P HA 0.202 nan 4.420 nan 0.000 0.215 343 P C 0.285 177.728 177.300 0.237 0.000 1.153 343 P CA 2.233 65.428 63.100 0.157 0.000 0.853 343 P CB 0.167 31.954 31.700 0.146 0.000 0.788 344 A N -2.017 120.893 122.820 0.149 0.000 2.608 344 A HA 0.634 4.948 4.320 -0.009 0.000 0.292 344 A C -1.858 175.706 177.584 -0.033 0.000 1.066 344 A CA -0.540 51.505 52.037 0.014 0.000 0.676 344 A CB 0.454 19.445 19.000 -0.014 0.000 1.277 344 A HN -0.048 nan 8.150 nan 0.000 0.413 345 L N 1.194 122.308 121.223 -0.181 0.000 2.346 345 L HA 0.596 4.931 4.340 -0.009 0.000 0.274 345 L C -1.047 175.675 176.870 -0.247 0.000 1.007 345 L CA -0.698 54.079 54.840 -0.105 0.000 0.818 345 L CB 2.168 44.169 42.059 -0.096 0.000 1.284 345 L HN 0.839 nan 8.230 nan 0.000 0.424 346 H N 1.256 120.266 119.070 -0.100 0.000 2.587 346 H HA 0.712 5.261 4.556 -0.013 0.000 0.325 346 H C 0.158 175.429 175.328 -0.096 0.000 1.012 346 H CA -0.175 55.813 56.048 -0.099 0.000 1.213 346 H CB 1.865 31.567 29.762 -0.100 0.000 1.431 346 H HN 0.736 nan 8.280 nan 0.000 0.492 347 G N 0.777 109.553 108.800 -0.039 0.000 2.896 347 G HA2 0.462 4.417 3.960 -0.009 0.000 0.247 347 G HA3 0.462 4.417 3.960 -0.009 0.000 0.247 347 G C -0.201 174.564 174.900 -0.225 0.000 1.187 347 G CA -0.359 44.680 45.100 -0.103 0.000 0.837 347 G HN 0.637 nan 8.290 nan 0.000 0.559 348 G N 0.003 108.542 108.800 -0.434 0.000 4.803 348 G HA2 0.275 4.230 3.960 -0.009 0.000 0.266 348 G HA3 0.275 4.230 3.960 -0.009 0.000 0.266 348 G C 0.213 174.508 174.900 -1.009 0.000 1.111 348 G CA -0.167 44.296 45.100 -1.061 0.000 0.874 348 G HN 0.259 nan 8.290 nan 0.000 0.555 349 N N 0.872 119.205 118.700 -0.612 0.000 2.609 349 N HA -0.034 4.700 4.740 -0.009 0.000 0.190 349 N C 1.473 176.833 175.510 -0.249 0.000 1.157 349 N CA 0.298 53.146 53.050 -0.337 0.000 0.918 349 N CB -0.141 38.237 38.487 -0.182 0.000 0.978 349 N HN 0.629 nan 8.380 nan 0.000 0.448 350 F N -1.246 118.685 119.950 -0.031 0.000 2.789 350 F HA 0.334 4.865 4.527 0.005 0.000 0.300 350 F C 0.822 176.618 175.800 -0.007 0.000 1.132 350 F CA -0.780 57.208 58.000 -0.021 0.000 1.404 350 F CB -0.688 38.300 39.000 -0.021 0.000 1.114 350 F HN -0.165 nan 8.300 nan 0.000 0.584 351 M N 2.770 122.345 119.600 -0.041 0.000 2.429 351 M HA 0.360 4.834 4.480 -0.009 0.000 0.334 351 M C 0.960 177.303 176.300 0.072 0.000 1.560 351 M CA -0.562 54.789 55.300 0.085 0.000 1.291 351 M CB 0.090 32.661 32.600 -0.050 0.000 1.754 351 M HN 0.235 nan 8.290 nan 0.000 0.456 352 G N 3.409 112.271 108.800 0.103 0.000 3.397 352 G HA2 0.022 3.977 3.960 -0.009 0.000 0.248 352 G HA3 0.022 3.977 3.960 -0.009 0.000 0.248 352 G C 0.685 175.624 174.900 0.065 0.000 1.284 352 G CA -0.185 44.961 45.100 0.076 0.000 1.570 352 G HN 0.810 nan 8.290 nan 0.000 0.587 353 Q N -0.043 119.795 119.800 0.063 0.000 2.167 353 Q HA -0.089 4.246 4.340 -0.009 0.000 0.202 353 Q C 1.917 177.893 176.000 -0.040 0.000 0.970 353 Q CA 1.418 57.225 55.803 0.008 0.000 0.855 353 Q CB -0.106 28.616 28.738 -0.027 0.000 0.911 353 Q HN 0.720 nan 8.270 nan 0.000 0.438 354 H N -1.763 117.283 119.070 -0.038 0.000 2.326 354 H HA -0.052 4.495 4.556 -0.015 0.000 0.301 354 H C 1.798 177.047 175.328 -0.133 0.000 1.081 354 H CA 1.718 57.717 56.048 -0.081 0.000 1.334 354 H CB -0.003 29.698 29.762 -0.101 0.000 1.385 354 H HN 0.066 nan 8.280 nan 0.000 0.504 355 V N 0.490 120.411 119.914 0.012 0.000 2.515 355 V HA -0.212 3.903 4.120 -0.009 0.000 0.250 355 V C 2.485 178.566 176.094 -0.020 0.000 1.058 355 V CA 1.382 63.651 62.300 -0.052 0.000 1.064 355 V CB -0.890 30.914 31.823 -0.031 0.000 0.675 355 V HN 0.566 nan 8.190 nan 0.000 0.461 356 A N 0.068 122.891 122.820 0.004 0.000 1.858 356 A HA -0.169 4.146 4.320 -0.009 0.000 0.216 356 A C 2.196 179.793 177.584 0.022 0.000 1.190 356 A CA 1.863 53.912 52.037 0.020 0.000 0.617 356 A CB -0.540 18.475 19.000 0.024 0.000 0.827 356 A HN 0.487 nan 8.150 nan 0.000 0.443 357 L N -0.155 121.070 121.223 0.003 0.000 2.093 357 L HA -0.144 4.190 4.340 -0.009 0.000 0.208 357 L C 2.976 179.889 176.870 0.071 0.000 1.085 357 L CA 1.788 56.658 54.840 0.051 0.000 0.755 357 L CB -0.950 41.150 42.059 0.069 0.000 0.904 357 L HN 0.666 nan 8.230 nan 0.000 0.435 358 T N -4.599 109.899 114.554 -0.093 0.000 2.904 358 T HA -0.088 4.256 4.350 -0.009 0.000 0.267 358 T C 2.025 176.799 174.700 0.124 0.000 1.059 358 T CA 1.227 63.223 62.100 -0.174 0.000 1.137 358 T CB -0.213 68.337 68.868 -0.530 0.000 0.879 358 T HN 0.117 nan 8.240 nan 0.000 0.467 359 S N 1.626 117.394 115.700 0.114 0.000 2.368 359 S HA -0.091 4.374 4.470 -0.009 0.000 0.224 359 S C 1.844 176.506 174.600 0.105 0.000 1.029 359 S CA 1.187 59.478 58.200 0.151 0.000 0.988 359 S CB -0.517 62.749 63.200 0.110 0.000 0.838 359 S HN 0.520 nan 8.310 nan 0.000 0.462 360 D N 1.649 122.104 120.400 0.092 0.000 2.117 360 D HA 0.012 4.647 4.640 -0.009 0.000 0.197 360 D C 2.120 178.475 176.300 0.091 0.000 0.987 360 D CA 1.173 55.221 54.000 0.079 0.000 0.829 360 D CB -0.425 40.417 40.800 0.069 0.000 0.961 360 D HN 0.370 nan 8.370 nan 0.000 0.460 361 A N 0.717 123.627 122.820 0.149 0.000 1.902 361 A HA -0.133 4.181 4.320 -0.009 0.000 0.217 361 A C 2.146 179.803 177.584 0.122 0.000 1.181 361 A CA 0.956 53.101 52.037 0.179 0.000 0.623 361 A CB -0.695 18.537 19.000 0.387 0.000 0.818 361 A HN 0.244 nan 8.150 nan 0.000 0.443 362 L N -0.215 121.075 121.223 0.112 0.000 2.083 362 L HA -0.034 4.301 4.340 -0.009 0.000 0.209 362 L C 2.634 179.495 176.870 -0.016 0.000 1.083 362 L CA 2.054 56.906 54.840 0.020 0.000 0.752 362 L CB -0.791 41.205 42.059 -0.106 0.000 0.899 362 L HN 0.343 nan 8.230 nan 0.000 0.433 363 A N -1.569 121.256 122.820 0.008 0.000 1.902 363 A HA -0.210 4.104 4.320 -0.009 0.000 0.217 363 A C 2.263 179.825 177.584 -0.037 0.000 1.181 363 A CA 2.321 54.354 52.037 -0.007 0.000 0.623 363 A CB -1.184 17.828 19.000 0.021 0.000 0.818 363 A HN 0.505 nan 8.150 nan 0.000 0.443 364 T N 0.230 114.771 114.554 -0.021 0.000 2.746 364 T HA 0.001 4.346 4.350 -0.009 0.000 0.267 364 T C 2.245 176.891 174.700 -0.089 0.000 1.039 364 T CA 1.556 63.631 62.100 -0.041 0.000 1.142 364 T CB -0.463 68.395 68.868 -0.016 0.000 0.866 364 T HN 0.602 nan 8.240 nan 0.000 0.444 365 A N 0.998 123.767 122.820 -0.085 0.000 1.902 365 A HA -0.063 4.252 4.320 -0.009 0.000 0.217 365 A C 2.584 180.002 177.584 -0.276 0.000 1.181 365 A CA 1.385 53.340 52.037 -0.137 0.000 0.623 365 A CB -1.065 17.890 19.000 -0.074 0.000 0.818 365 A HN 0.351 nan 8.150 nan 0.000 0.443 366 V N -0.242 119.496 119.914 -0.293 0.000 2.343 366 V HA -0.227 3.888 4.120 -0.009 0.000 0.247 366 V C 2.735 178.505 176.094 -0.541 0.000 1.051 366 V CA 2.467 64.446 62.300 -0.535 0.000 1.036 366 V CB -1.174 30.502 31.823 -0.246 0.000 0.654 366 V HN 0.622 nan 8.190 nan 0.000 0.451 367 T N -0.287 114.097 114.554 -0.284 0.000 2.821 367 T HA -0.140 4.205 4.350 -0.009 0.000 0.267 367 T C 1.933 176.498 174.700 -0.225 0.000 1.046 367 T CA 1.485 63.459 62.100 -0.209 0.000 1.139 367 T CB -0.141 68.662 68.868 -0.108 0.000 0.871 367 T HN 0.283 nan 8.240 nan 0.000 0.454 368 V N 1.165 120.944 119.914 -0.225 0.000 2.307 368 V HA -0.088 4.027 4.120 -0.009 0.000 0.245 368 V C 2.372 178.324 176.094 -0.237 0.000 1.045 368 V CA 1.311 63.499 62.300 -0.186 0.000 1.024 368 V CB -0.528 31.200 31.823 -0.158 0.000 0.651 368 V HN 0.321 nan 8.190 nan 0.000 0.449 369 L N 0.289 121.277 121.223 -0.392 0.000 2.141 369 L HA -0.029 4.306 4.340 -0.009 0.000 0.209 369 L C 2.528 179.172 176.870 -0.376 0.000 1.094 369 L CA 2.005 56.598 54.840 -0.412 0.000 0.763 369 L CB -1.120 40.566 42.059 -0.621 0.000 0.908 369 L HN 0.283 nan 8.230 nan 0.000 0.437 370 A N -0.572 121.901 122.820 -0.579 0.000 1.969 370 A HA -0.042 4.273 4.320 -0.009 0.000 0.218 370 A C 2.425 179.980 177.584 -0.049 0.000 1.169 370 A CA 1.435 53.324 52.037 -0.247 0.000 0.635 370 A CB -1.199 17.675 19.000 -0.209 0.000 0.810 370 A HN 0.414 nan 8.150 nan 0.000 0.445 371 G N -0.044 108.701 108.800 -0.092 0.000 2.422 371 G HA2 -0.135 3.820 3.960 -0.009 0.000 0.218 371 G HA3 -0.135 3.820 3.960 -0.009 0.000 0.218 371 G C 1.478 176.378 174.900 0.000 0.000 1.146 371 G CA 1.188 46.268 45.100 -0.033 0.000 0.769 371 G HN 0.510 nan 8.290 nan 0.000 0.547 372 L N 1.424 122.641 121.223 -0.009 0.000 2.017 372 L HA 0.141 4.476 4.340 -0.009 0.000 0.208 372 L C 3.015 179.927 176.870 0.070 0.000 1.073 372 L CA 2.316 57.173 54.840 0.028 0.000 0.745 372 L CB -0.789 41.278 42.059 0.014 0.000 0.894 372 L HN 0.215 nan 8.230 nan 0.000 0.432 373 A N -0.877 122.009 122.820 0.110 0.000 1.902 373 A HA -0.229 4.086 4.320 -0.009 0.000 0.217 373 A C 2.330 179.973 177.584 0.099 0.000 1.181 373 A CA 1.714 53.837 52.037 0.142 0.000 0.623 373 A CB -0.783 18.363 19.000 0.243 0.000 0.818 373 A HN 0.598 nan 8.150 nan 0.000 0.443 374 E N -0.044 120.207 120.200 0.085 0.000 2.110 374 E HA -0.194 4.151 4.350 -0.009 0.000 0.193 374 E C 2.026 178.660 176.600 0.057 0.000 0.988 374 E CA 0.855 57.295 56.400 0.067 0.000 0.804 374 E CB -0.197 29.535 29.700 0.055 0.000 0.745 374 E HN 0.381 nan 8.360 nan 0.000 0.458 375 R N 0.296 120.827 120.500 0.051 0.000 2.148 375 R HA -0.025 4.309 4.340 -0.009 0.000 0.223 375 R C 2.339 178.669 176.300 0.050 0.000 1.088 375 R CA 0.706 56.834 56.100 0.046 0.000 0.985 375 R CB -0.327 29.999 30.300 0.042 0.000 0.880 375 R HN 0.394 nan 8.270 nan 0.000 0.451 376 Q N 0.056 119.891 119.800 0.059 0.000 2.119 376 Q HA -0.024 4.310 4.340 -0.009 0.000 0.201 376 Q C 2.166 178.191 176.000 0.041 0.000 0.972 376 Q CA 1.077 56.915 55.803 0.058 0.000 0.847 376 Q CB -0.052 28.730 28.738 0.074 0.000 0.903 376 Q HN 0.298 nan 8.270 nan 0.000 0.433 377 I N 0.581 121.177 120.570 0.042 0.000 2.202 377 I HA -0.257 3.908 4.170 -0.009 0.000 0.242 377 I C 2.411 178.555 176.117 0.046 0.000 1.091 377 I CA 0.922 62.241 61.300 0.031 0.000 1.368 377 I CB -0.409 37.615 38.000 0.040 0.000 1.058 377 I HN 0.148 nan 8.210 nan 0.000 0.410 378 A N 0.745 123.598 122.820 0.055 0.000 1.978 378 A HA -0.253 4.062 4.320 -0.009 0.000 0.220 378 A C 2.430 180.033 177.584 0.032 0.000 1.170 378 A CA 1.918 53.992 52.037 0.061 0.000 0.636 378 A CB -0.624 18.409 19.000 0.056 0.000 0.810 378 A HN 0.400 nan 8.150 nan 0.000 0.448 379 R N -0.995 119.517 120.500 0.021 0.000 2.062 379 R HA -0.006 4.329 4.340 -0.009 0.000 0.226 379 R C 2.026 178.317 176.300 -0.014 0.000 1.125 379 R CA 1.320 57.421 56.100 0.002 0.000 0.966 379 R CB -0.406 29.902 30.300 0.013 0.000 0.861 379 R HN 0.387 nan 8.270 nan 0.000 0.433 380 L N 1.201 122.420 121.223 -0.007 0.000 2.131 380 L HA -0.111 4.224 4.340 -0.009 0.000 0.210 380 L C 1.956 178.800 176.870 -0.043 0.000 1.092 380 L CA 2.414 57.241 54.840 -0.022 0.000 0.759 380 L CB -0.433 41.612 42.059 -0.023 0.000 0.903 380 L HN 0.452 nan 8.230 nan 0.000 0.435 381 T N -4.357 110.176 114.554 -0.035 0.000 3.107 381 T HA 0.038 4.383 4.350 -0.009 0.000 0.249 381 T C 0.702 175.215 174.700 -0.312 0.000 1.096 381 T CA -0.127 61.931 62.100 -0.069 0.000 1.012 381 T CB -0.439 68.511 68.868 0.137 0.000 0.977 381 T HN 0.244 nan 8.240 nan 0.000 0.527 382 D N 2.614 122.886 120.400 -0.213 0.000 2.347 382 D HA 0.080 4.714 4.640 -0.009 0.000 0.235 382 D C 1.312 177.490 176.300 -0.203 0.000 1.149 382 D CA -0.345 53.504 54.000 -0.252 0.000 0.850 382 D CB 1.302 42.037 40.800 -0.110 0.000 1.061 382 D HN 0.607 nan 8.370 nan 0.000 0.487 383 E N 3.344 123.394 120.200 -0.250 0.000 2.267 383 E HA -0.202 4.142 4.350 -0.009 0.000 0.197 383 E C 1.048 177.597 176.600 -0.084 0.000 0.998 383 E CA 0.780 57.095 56.400 -0.142 0.000 0.830 383 E CB 0.084 29.712 29.700 -0.120 0.000 0.751 383 E HN 0.379 nan 8.360 nan 0.000 0.491 384 R N 0.063 120.515 120.500 -0.079 0.000 2.240 384 R HA 0.156 4.491 4.340 -0.009 0.000 0.203 384 R C 1.815 178.090 176.300 -0.043 0.000 1.011 384 R CA 0.620 56.691 56.100 -0.049 0.000 1.007 384 R CB 0.155 30.432 30.300 -0.038 0.000 0.911 384 R HN 0.280 nan 8.270 nan 0.000 0.468 385 L N 0.269 121.461 121.223 -0.052 0.000 2.781 385 L HA 0.112 4.447 4.340 -0.009 0.000 0.245 385 L C 0.597 177.445 176.870 -0.037 0.000 1.118 385 L CA -0.094 54.722 54.840 -0.039 0.000 0.918 385 L CB 0.146 42.184 42.059 -0.035 0.000 1.246 385 L HN 0.118 nan 8.230 nan 0.000 0.526 386 N N 0.826 119.497 118.700 -0.048 0.000 2.322 386 N HA -0.029 4.706 4.740 -0.009 0.000 0.216 386 N C 0.031 175.523 175.510 -0.030 0.000 1.144 386 N CA -0.317 52.710 53.050 -0.039 0.000 0.830 386 N CB -0.178 38.278 38.487 -0.052 0.000 1.034 386 N HN 0.062 nan 8.380 nan 0.000 0.484 387 R N -0.382 120.101 120.500 -0.028 0.000 3.188 387 R HA -0.175 4.159 4.340 -0.009 0.000 0.247 387 R C 0.768 177.056 176.300 -0.020 0.000 0.918 387 R CA 0.523 56.610 56.100 -0.022 0.000 0.629 387 R CB -2.093 28.196 30.300 -0.018 0.000 1.087 387 R HN 0.641 nan 8.270 nan 0.000 0.462 388 G N -1.004 107.783 108.800 -0.022 0.000 2.176 388 G HA2 -0.299 3.656 3.960 -0.009 0.000 0.232 388 G HA3 -0.299 3.656 3.960 -0.009 0.000 0.232 388 G C 0.253 175.142 174.900 -0.019 0.000 0.986 388 G CA 0.060 45.149 45.100 -0.018 0.000 0.643 388 G HN 0.265 nan 8.290 nan 0.000 0.522 389 L N 1.458 122.665 121.223 -0.025 0.000 2.439 389 L HA 0.437 4.772 4.340 -0.009 0.000 0.261 389 L C -1.611 175.242 176.870 -0.028 0.000 1.153 389 L CA -2.067 52.757 54.840 -0.027 0.000 0.808 389 L CB 0.630 42.673 42.059 -0.027 0.000 1.126 389 L HN -0.094 nan 8.230 nan 0.000 0.460 390 P HA 0.049 nan 4.420 nan 0.000 0.269 390 P C -2.484 174.843 177.300 0.045 0.000 1.209 390 P CA -0.924 62.174 63.100 -0.003 0.000 0.776 390 P CB -0.193 31.399 31.700 -0.180 0.000 0.876 391 P HA -0.014 nan 4.420 nan 0.000 0.267 391 P C -0.224 177.120 177.300 0.073 0.000 1.209 391 P CA 0.339 63.380 63.100 -0.098 0.000 0.763 391 P CB -0.153 31.530 31.700 -0.029 0.000 0.816 392 F N 1.565 121.614 119.950 0.164 0.000 3.069 392 F HA -0.244 4.278 4.527 -0.009 0.000 0.285 392 F C 1.318 177.291 175.800 0.288 0.000 0.827 392 F CA 0.368 58.488 58.000 0.200 0.000 1.108 392 F CB -2.637 36.471 39.000 0.179 0.000 1.252 392 F HN 0.273 nan 8.300 nan 0.000 0.483 393 L N -1.729 119.656 121.223 0.270 0.000 3.839 393 L HA -0.317 4.018 4.340 -0.009 0.000 0.416 393 L C 1.331 178.357 176.870 0.261 0.000 1.195 393 L CA 1.018 55.994 54.840 0.227 0.000 0.946 393 L CB -1.978 40.220 42.059 0.232 0.000 1.891 393 L HN 0.697 nan 8.230 nan 0.000 0.963 394 H N 0.444 119.640 119.070 0.211 0.000 2.671 394 H HA 0.661 5.211 4.556 -0.009 0.000 0.372 394 H C 0.285 175.673 175.328 0.098 0.000 1.227 394 H CA -0.387 55.745 56.048 0.140 0.000 1.426 394 H CB 0.883 30.716 29.762 0.119 0.000 1.480 394 H HN 0.299 nan 8.280 nan 0.000 0.611 395 R N -0.182 120.321 120.500 0.005 0.000 2.888 395 R HA 0.484 4.819 4.340 -0.009 0.000 0.266 395 R C -0.380 176.009 176.300 0.147 0.000 1.020 395 R CA -0.274 55.804 56.100 -0.037 0.000 0.963 395 R CB 2.108 32.411 30.300 0.004 0.000 1.197 395 R HN 1.109 nan 8.270 nan 0.000 0.481 396 G N 1.331 110.196 108.800 0.107 0.000 2.796 396 G HA2 -0.176 3.779 3.960 -0.009 0.000 0.571 396 G HA3 -0.176 3.779 3.960 -0.009 0.000 0.571 396 G C -2.770 172.255 174.900 0.208 0.000 1.370 396 G CA -1.250 43.927 45.100 0.128 0.000 0.856 396 G HN 0.372 nan 8.290 nan 0.000 0.538 397 P HA 0.451 nan 4.420 nan 0.000 0.267 397 P C 0.426 177.755 177.300 0.048 0.000 1.205 397 P CA 0.803 63.967 63.100 0.107 0.000 0.765 397 P CB 0.741 32.470 31.700 0.049 0.000 0.828 398 A N 3.426 126.252 122.820 0.009 0.000 2.462 398 A HA 0.473 4.788 4.320 -0.009 0.000 0.243 398 A C 1.568 179.048 177.584 -0.175 0.000 1.076 398 A CA 0.876 52.708 52.037 -0.341 0.000 0.773 398 A CB -0.986 17.902 19.000 -0.187 0.000 1.010 398 A HN 0.811 nan 8.150 nan 0.000 0.493 399 G N 0.503 109.185 108.800 -0.197 0.000 3.079 399 G HA2 -0.287 3.667 3.960 -0.009 0.000 0.214 399 G HA3 -0.287 3.667 3.960 -0.009 0.000 0.214 399 G C 1.047 175.901 174.900 -0.077 0.000 1.335 399 G CA 0.434 45.477 45.100 -0.094 0.000 0.822 399 G HN 0.851 nan 8.290 nan 0.000 0.545 400 L N 1.091 122.278 121.223 -0.061 0.000 2.201 400 L HA 0.172 4.507 4.340 -0.009 0.000 0.212 400 L C 0.785 177.630 176.870 -0.041 0.000 1.105 400 L CA 0.855 55.673 54.840 -0.037 0.000 0.775 400 L CB -0.282 41.769 42.059 -0.015 0.000 0.913 400 L HN 0.309 nan 8.230 nan 0.000 0.440 401 N N -1.381 117.279 118.700 -0.067 0.000 2.258 401 N HA 0.221 4.956 4.740 -0.009 0.000 0.299 401 N C -0.159 175.290 175.510 -0.103 0.000 1.047 401 N CA -0.140 52.884 53.050 -0.043 0.000 0.814 401 N CB 2.164 40.688 38.487 0.061 0.000 1.413 401 N HN -0.224 nan 8.380 nan 0.000 0.478 402 S N 0.028 115.702 115.700 -0.043 0.000 2.603 402 S HA 0.263 4.727 4.470 -0.009 0.000 0.232 402 S C 1.232 175.881 174.600 0.083 0.000 1.016 402 S CA 0.040 58.226 58.200 -0.024 0.000 0.976 402 S CB 0.601 63.735 63.200 -0.109 0.000 0.921 402 S HN 0.943 nan 8.310 nan 0.000 0.516 403 G N 2.516 111.362 108.800 0.077 0.000 2.629 403 G HA2 -0.344 3.610 3.960 -0.009 0.000 0.313 403 G HA3 -0.344 3.610 3.960 -0.009 0.000 0.313 403 G C 0.212 175.023 174.900 -0.149 0.000 1.217 403 G CA 0.767 45.881 45.100 0.024 0.000 0.994 403 G HN 0.462 nan 8.290 nan 0.000 0.549 404 F N 1.334 121.371 119.950 0.146 0.000 2.664 404 F HA 0.478 5.000 4.527 -0.009 0.000 0.301 404 F C 2.385 178.218 175.800 0.055 0.000 1.126 404 F CA 0.874 58.934 58.000 0.100 0.000 1.373 404 F CB 0.163 39.237 39.000 0.123 0.000 1.042 404 F HN 0.324 nan 8.300 nan 0.000 0.535 405 M N 0.050 119.660 119.600 0.018 0.000 2.108 405 M HA -0.139 4.335 4.480 -0.009 0.000 0.261 405 M C 2.404 178.578 176.300 -0.210 0.000 1.066 405 M CA 2.238 57.281 55.300 -0.428 0.000 1.107 405 M CB -0.456 31.620 32.600 -0.873 0.000 1.356 405 M HN 0.330 nan 8.290 nan 0.000 0.406 406 G N -0.872 107.858 108.800 -0.116 0.000 2.394 406 G HA2 -0.099 3.856 3.960 -0.009 0.000 0.215 406 G HA3 -0.099 3.856 3.960 -0.009 0.000 0.215 406 G C 1.478 176.380 174.900 0.004 0.000 1.165 406 G CA 0.735 45.795 45.100 -0.065 0.000 0.784 406 G HN 0.612 nan 8.290 nan 0.000 0.535 407 A N -0.011 122.848 122.820 0.065 0.000 1.972 407 A HA -0.096 4.218 4.320 -0.009 0.000 0.219 407 A C 2.266 179.917 177.584 0.113 0.000 1.169 407 A CA 2.014 54.121 52.037 0.118 0.000 0.635 407 A CB -0.408 18.741 19.000 0.248 0.000 0.810 407 A HN 0.389 nan 8.150 nan 0.000 0.446 408 Q N 0.036 119.915 119.800 0.132 0.000 2.084 408 Q HA -0.118 4.216 4.340 -0.009 0.000 0.202 408 Q C 2.091 178.139 176.000 0.080 0.000 0.978 408 Q CA 2.000 57.879 55.803 0.126 0.000 0.844 408 Q CB -0.262 28.597 28.738 0.202 0.000 0.898 408 Q HN 0.432 nan 8.270 nan 0.000 0.426 409 V N 0.540 120.482 119.914 0.045 0.000 2.427 409 V HA -0.207 3.908 4.120 -0.009 0.000 0.248 409 V C 2.357 178.468 176.094 0.029 0.000 1.051 409 V CA 2.016 64.332 62.300 0.027 0.000 1.048 409 V CB -0.805 31.014 31.823 -0.006 0.000 0.666 409 V HN 0.384 nan 8.190 nan 0.000 0.456 410 T N 0.439 115.011 114.554 0.030 0.000 2.720 410 T HA -0.186 4.158 4.350 -0.009 0.000 0.268 410 T C 2.069 176.791 174.700 0.037 0.000 1.037 410 T CA 1.661 63.779 62.100 0.030 0.000 1.144 410 T CB -0.391 68.495 68.868 0.031 0.000 0.864 410 T HN 0.579 nan 8.240 nan 0.000 0.444 411 A N 1.182 124.030 122.820 0.048 0.000 1.902 411 A HA -0.139 4.176 4.320 -0.009 0.000 0.217 411 A C 2.553 180.166 177.584 0.048 0.000 1.181 411 A CA 2.146 54.214 52.037 0.052 0.000 0.623 411 A CB -1.225 17.810 19.000 0.058 0.000 0.818 411 A HN 0.483 nan 8.150 nan 0.000 0.443 412 T N 0.291 114.873 114.554 0.045 0.000 2.746 412 T HA -0.015 4.330 4.350 -0.009 0.000 0.267 412 T C 2.215 176.933 174.700 0.031 0.000 1.039 412 T CA 1.556 63.679 62.100 0.039 0.000 1.142 412 T CB -0.447 68.444 68.868 0.038 0.000 0.866 412 T HN 0.603 nan 8.240 nan 0.000 0.444 413 A N 1.220 124.057 122.820 0.028 0.000 1.933 413 A HA 0.022 4.336 4.320 -0.009 0.000 0.218 413 A C 2.296 179.895 177.584 0.025 0.000 1.175 413 A CA 1.150 53.200 52.037 0.023 0.000 0.628 413 A CB -0.809 18.202 19.000 0.019 0.000 0.814 413 A HN 0.479 nan 8.150 nan 0.000 0.444 414 L N -1.180 120.062 121.223 0.032 0.000 2.056 414 L HA -0.152 4.183 4.340 -0.009 0.000 0.207 414 L C 2.554 179.446 176.870 0.037 0.000 1.078 414 L CA 1.127 55.989 54.840 0.037 0.000 0.749 414 L CB -0.536 41.551 42.059 0.047 0.000 0.901 414 L HN 0.467 nan 8.230 nan 0.000 0.433 415 L N 0.281 121.526 121.223 0.036 0.000 2.027 415 L HA -0.108 4.227 4.340 -0.009 0.000 0.206 415 L C 2.651 179.531 176.870 0.016 0.000 1.074 415 L CA 1.957 56.813 54.840 0.025 0.000 0.745 415 L CB -0.700 41.374 42.059 0.024 0.000 0.898 415 L HN 0.129 nan 8.230 nan 0.000 0.433 416 A N -0.820 122.011 122.820 0.017 0.000 1.940 416 A HA -0.289 4.026 4.320 -0.009 0.000 0.219 416 A C 2.335 179.927 177.584 0.013 0.000 1.176 416 A CA 1.929 53.974 52.037 0.013 0.000 0.631 416 A CB -0.753 18.255 19.000 0.014 0.000 0.814 416 A HN 0.642 nan 8.150 nan 0.000 0.446 417 E N -0.684 119.526 120.200 0.017 0.000 2.106 417 E HA -0.171 4.174 4.350 -0.009 0.000 0.192 417 E C 2.039 178.649 176.600 0.017 0.000 0.984 417 E CA 1.221 57.631 56.400 0.017 0.000 0.806 417 E CB -0.199 29.513 29.700 0.020 0.000 0.750 417 E HN 0.673 nan 8.360 nan 0.000 0.458 418 M N 0.023 119.634 119.600 0.018 0.000 2.108 418 M HA -0.175 4.300 4.480 -0.009 0.000 0.261 418 M C 2.290 178.594 176.300 0.006 0.000 1.066 418 M CA 1.554 56.863 55.300 0.014 0.000 1.107 418 M CB -0.185 32.420 32.600 0.008 0.000 1.356 418 M HN 0.015 nan 8.290 nan 0.000 0.406 419 R N 0.047 120.549 120.500 0.003 0.000 2.237 419 R HA -0.024 4.311 4.340 -0.009 0.000 0.219 419 R C 2.169 178.474 176.300 0.008 0.000 1.080 419 R CA 1.048 57.148 56.100 0.000 0.000 0.995 419 R CB -0.413 29.886 30.300 -0.002 0.000 0.875 419 R HN 0.372 nan 8.270 nan 0.000 0.462 420 A N 0.538 123.364 122.820 0.011 0.000 2.066 420 A HA -0.021 4.294 4.320 -0.009 0.000 0.218 420 A C 0.783 178.378 177.584 0.018 0.000 1.157 420 A CA 0.862 52.907 52.037 0.013 0.000 0.670 420 A CB 0.129 19.136 19.000 0.012 0.000 0.804 420 A HN 0.097 nan 8.150 nan 0.000 0.453 421 T N 0.126 114.692 114.554 0.020 0.000 2.771 421 T HA 0.553 4.898 4.350 -0.009 0.000 0.281 421 T C 0.449 175.171 174.700 0.037 0.000 0.982 421 T CA 0.049 62.166 62.100 0.029 0.000 0.978 421 T CB 1.541 70.425 68.868 0.027 0.000 0.930 421 T HN 0.366 nan 8.240 nan 0.000 0.447 422 G N 2.941 111.776 108.800 0.059 0.000 2.828 422 G HA2 0.673 4.628 3.960 -0.009 0.000 0.244 422 G HA3 0.673 4.628 3.960 -0.009 0.000 0.244 422 G C -2.652 172.296 174.900 0.079 0.000 1.365 422 G CA -1.595 43.542 45.100 0.062 0.000 1.041 422 G HN 0.439 nan 8.290 nan 0.000 0.560 423 P HA 0.264 nan 4.420 nan 0.000 0.266 423 P C 0.328 177.690 177.300 0.103 0.000 1.195 423 P CA 0.358 63.493 63.100 0.057 0.000 0.768 423 P CB 1.355 33.064 31.700 0.015 0.000 0.838 424 A N 2.088 124.972 122.820 0.107 0.000 1.984 424 A HA -0.044 4.270 4.320 -0.009 0.000 0.214 424 A C 2.068 179.722 177.584 0.117 0.000 1.173 424 A CA 1.048 53.188 52.037 0.171 0.000 0.673 424 A CB -1.013 18.056 19.000 0.115 0.000 0.830 424 A HN 0.476 nan 8.150 nan 0.000 0.453 425 S N 0.588 116.312 115.700 0.039 0.000 2.400 425 S HA -0.185 4.280 4.470 -0.009 0.000 0.232 425 S C 1.684 176.250 174.600 -0.057 0.000 1.025 425 S CA 1.579 59.782 58.200 0.005 0.000 0.993 425 S CB -0.691 62.512 63.200 0.004 0.000 0.808 425 S HN 0.797 nan 8.310 nan 0.000 0.478 426 I N -1.330 119.132 120.570 -0.179 0.000 3.444 426 I HA 0.059 4.223 4.170 -0.009 0.000 0.287 426 I C 0.702 176.602 176.117 -0.360 0.000 1.302 426 I CA 0.949 62.081 61.300 -0.280 0.000 1.368 426 I CB -0.341 37.447 38.000 -0.353 0.000 1.048 426 I HN 0.158 nan 8.210 nan 0.000 0.487 427 H N 1.197 120.278 119.070 0.018 0.000 2.524 427 H HA 0.311 4.863 4.556 -0.007 0.000 0.299 427 H C 0.636 175.975 175.328 0.019 0.000 1.074 427 H CA -0.226 55.833 56.048 0.017 0.000 1.115 427 H CB 0.090 29.862 29.762 0.017 0.000 1.522 427 H HN 0.304 nan 8.280 nan 0.000 0.543 428 S N 1.218 116.964 115.700 0.076 0.000 2.552 428 S HA 0.190 4.655 4.470 -0.009 0.000 0.289 428 S C 0.283 174.921 174.600 0.063 0.000 1.304 428 S CA -0.213 58.025 58.200 0.064 0.000 1.063 428 S CB -0.020 63.203 63.200 0.038 0.000 0.848 428 S HN 0.291 nan 8.310 nan 0.000 0.499 429 I N 3.406 124.011 120.570 0.059 0.000 2.533 429 I HA 0.222 4.386 4.170 -0.009 0.000 0.290 429 I C 0.080 176.223 176.117 0.042 0.000 1.056 429 I CA -0.631 60.699 61.300 0.050 0.000 1.057 429 I CB 2.120 40.150 38.000 0.049 0.000 1.240 429 I HN 0.571 nan 8.210 nan 0.000 0.423 430 S N 3.966 119.688 115.700 0.037 0.000 2.525 430 S HA 0.260 4.725 4.470 -0.009 0.000 0.285 430 S C -0.198 174.423 174.600 0.034 0.000 1.283 430 S CA 0.429 58.650 58.200 0.035 0.000 1.072 430 S CB 0.274 63.492 63.200 0.030 0.000 0.867 430 S HN 0.771 nan 8.310 nan 0.000 0.492 431 T N 3.076 117.652 114.554 0.036 0.000 2.681 431 T HA 0.418 4.763 4.350 -0.009 0.000 0.296 431 T C -0.400 174.322 174.700 0.036 0.000 1.157 431 T CA -0.105 62.016 62.100 0.034 0.000 1.025 431 T CB 0.812 69.701 68.868 0.035 0.000 1.441 431 T HN 0.921 nan 8.240 nan 0.000 0.504 432 N N 0.636 119.358 118.700 0.036 0.000 2.727 432 N HA -0.216 4.519 4.740 -0.009 0.000 0.251 432 N C 0.303 175.835 175.510 0.037 0.000 1.040 432 N CA 0.792 53.866 53.050 0.040 0.000 0.712 432 N CB -1.188 37.325 38.487 0.044 0.000 0.912 432 N HN 1.568 nan 8.380 nan 0.000 0.545 433 A N -0.550 122.289 122.820 0.031 0.000 2.822 433 A HA 0.004 4.319 4.320 -0.009 0.000 0.287 433 A C 1.325 178.926 177.584 0.028 0.000 1.479 433 A CA 2.079 54.133 52.037 0.028 0.000 0.779 433 A CB -2.305 16.711 19.000 0.027 0.000 1.022 433 A HN 2.277 nan 8.150 nan 0.000 0.532 434 A N -2.466 120.372 122.820 0.030 0.000 3.396 434 A HA -0.358 3.957 4.320 -0.009 0.000 0.267 434 A C 1.374 178.978 177.584 0.034 0.000 1.139 434 A CA 2.009 54.064 52.037 0.030 0.000 1.115 434 A CB -2.551 16.464 19.000 0.025 0.000 1.133 434 A HN 2.218 nan 8.150 nan 0.000 0.920 435 N N 0.014 118.736 118.700 0.037 0.000 2.142 435 N HA -0.096 4.639 4.740 -0.009 0.000 0.186 435 N C 0.972 176.511 175.510 0.048 0.000 1.023 435 N CA 1.860 54.935 53.050 0.042 0.000 0.852 435 N CB -0.155 38.361 38.487 0.047 0.000 0.998 435 N HN 0.755 nan 8.380 nan 0.000 0.424 436 Q N 0.535 120.364 119.800 0.048 0.000 3.091 436 Q HA 0.067 4.402 4.340 -0.009 0.000 0.301 436 Q C -0.433 175.598 176.000 0.051 0.000 1.337 436 Q CA -0.289 55.548 55.803 0.057 0.000 1.083 436 Q CB 0.594 29.361 28.738 0.048 0.000 1.477 436 Q HN 0.508 nan 8.270 nan 0.000 0.537 437 D N -0.404 120.024 120.400 0.047 0.000 2.348 437 D HA -0.076 4.558 4.640 -0.009 0.000 0.216 437 D C 0.683 177.007 176.300 0.040 0.000 0.970 437 D CA 0.415 54.438 54.000 0.039 0.000 0.889 437 D CB 0.108 40.927 40.800 0.032 0.000 0.912 437 D HN 0.212 nan 8.370 nan 0.000 0.524 438 V N -1.787 118.156 119.914 0.048 0.000 2.760 438 V HA 0.753 4.868 4.120 -0.009 0.000 0.309 438 V C -0.444 175.687 176.094 0.062 0.000 1.077 438 V CA -1.199 61.129 62.300 0.046 0.000 0.910 438 V CB 1.907 33.752 31.823 0.037 0.000 1.008 438 V HN 0.100 nan 8.190 nan 0.000 0.424 439 V N 1.043 120.993 119.914 0.059 0.000 2.962 439 V HA 0.775 4.890 4.120 -0.009 0.000 0.313 439 V C 1.067 177.198 176.094 0.062 0.000 1.099 439 V CA 0.264 62.606 62.300 0.070 0.000 0.971 439 V CB 1.422 33.283 31.823 0.064 0.000 1.028 439 V HN 1.324 nan 8.190 nan 0.000 0.430 440 S N 2.501 118.242 115.700 0.069 0.000 2.406 440 S HA 0.082 4.546 4.470 -0.009 0.000 0.224 440 S C 1.161 175.792 174.600 0.053 0.000 1.030 440 S CA 1.136 59.369 58.200 0.055 0.000 0.958 440 S CB -0.860 62.377 63.200 0.061 0.000 0.811 440 S HN 1.397 nan 8.310 nan 0.000 0.489 441 L N 0.368 121.626 121.223 0.058 0.000 4.040 441 L HA -0.197 4.137 4.340 -0.009 0.000 0.410 441 L C 1.504 178.406 176.870 0.053 0.000 1.187 441 L CA 0.022 54.897 54.840 0.058 0.000 0.956 441 L CB -2.292 39.810 42.059 0.072 0.000 2.022 441 L HN 0.537 nan 8.230 nan 0.000 0.897 442 G N -0.368 108.461 108.800 0.049 0.000 2.432 442 G HA2 -0.205 3.750 3.960 -0.009 0.000 0.219 442 G HA3 -0.205 3.750 3.960 -0.009 0.000 0.219 442 G C 1.281 176.206 174.900 0.042 0.000 1.135 442 G CA 1.390 46.516 45.100 0.043 0.000 0.767 442 G HN 0.474 nan 8.290 nan 0.000 0.550 443 T N 1.339 115.917 114.554 0.039 0.000 2.777 443 T HA -0.028 4.316 4.350 -0.009 0.000 0.266 443 T C 2.377 177.099 174.700 0.037 0.000 1.040 443 T CA 0.962 63.082 62.100 0.034 0.000 1.141 443 T CB -0.130 68.754 68.868 0.026 0.000 0.868 443 T HN 0.271 nan 8.240 nan 0.000 0.444 444 I N 1.646 122.240 120.570 0.040 0.000 2.179 444 I HA -0.164 4.001 4.170 -0.009 0.000 0.242 444 I C 3.033 179.181 176.117 0.051 0.000 1.088 444 I CA 1.101 62.426 61.300 0.042 0.000 1.357 444 I CB -0.574 37.454 38.000 0.047 0.000 1.051 444 I HN 0.209 nan 8.210 nan 0.000 0.409 445 A N 0.868 123.722 122.820 0.057 0.000 1.883 445 A HA -0.233 4.082 4.320 -0.009 0.000 0.217 445 A C 2.541 180.162 177.584 0.063 0.000 1.186 445 A CA 2.158 54.232 52.037 0.061 0.000 0.624 445 A CB -0.946 18.089 19.000 0.059 0.000 0.822 445 A HN 0.448 nan 8.150 nan 0.000 0.444 446 A N -0.602 122.256 122.820 0.063 0.000 1.930 446 A HA -0.136 4.179 4.320 -0.009 0.000 0.217 446 A C 2.251 179.874 177.584 0.066 0.000 1.175 446 A CA 1.510 53.591 52.037 0.073 0.000 0.627 446 A CB -0.419 18.622 19.000 0.069 0.000 0.815 446 A HN 0.558 nan 8.150 nan 0.000 0.443 447 R N -0.584 119.948 120.500 0.053 0.000 2.075 447 R HA 0.043 4.378 4.340 -0.009 0.000 0.232 447 R C 1.982 178.312 176.300 0.049 0.000 1.126 447 R CA 1.258 57.386 56.100 0.048 0.000 0.963 447 R CB -0.422 29.900 30.300 0.036 0.000 0.858 447 R HN 0.497 nan 8.270 nan 0.000 0.435 448 L N -0.251 121.001 121.223 0.049 0.000 2.141 448 L HA -0.213 4.121 4.340 -0.009 0.000 0.209 448 L C 2.726 179.626 176.870 0.050 0.000 1.094 448 L CA 0.725 55.593 54.840 0.047 0.000 0.763 448 L CB -0.495 41.593 42.059 0.048 0.000 0.908 448 L HN 0.376 nan 8.230 nan 0.000 0.437 449 C N 0.332 119.665 119.300 0.055 0.000 2.446 449 C HA -0.145 4.310 4.460 -0.009 0.000 0.277 449 C C 3.094 178.125 174.990 0.067 0.000 1.275 449 C CA 0.814 59.864 59.018 0.054 0.000 1.727 449 C CB -0.528 27.245 27.740 0.055 0.000 2.010 449 C HN 0.495 nan 8.230 nan 0.000 0.486 450 R N 1.307 121.850 120.500 0.072 0.000 2.081 450 R HA -0.079 4.255 4.340 -0.009 0.000 0.235 450 R C 2.096 178.445 176.300 0.081 0.000 1.131 450 R CA 1.966 58.114 56.100 0.081 0.000 0.960 450 R CB -0.825 29.520 30.300 0.076 0.000 0.856 450 R HN 0.540 nan 8.270 nan 0.000 0.436 451 E N 0.723 120.963 120.200 0.066 0.000 2.077 451 E HA -0.177 4.167 4.350 -0.009 0.000 0.193 451 E C 1.855 178.499 176.600 0.074 0.000 0.989 451 E CA 1.374 57.812 56.400 0.062 0.000 0.800 451 E CB -0.115 29.613 29.700 0.048 0.000 0.746 451 E HN 0.429 nan 8.360 nan 0.000 0.452 452 K N 0.323 120.767 120.400 0.073 0.000 2.097 452 K HA -0.037 4.278 4.320 -0.009 0.000 0.205 452 K C 2.309 178.998 176.600 0.148 0.000 1.050 452 K CA 0.796 57.131 56.287 0.080 0.000 0.938 452 K CB -0.137 32.388 32.500 0.041 0.000 0.718 452 K HN 0.085 nan 8.250 nan 0.000 0.442 453 I N 1.486 122.157 120.570 0.169 0.000 2.226 453 I HA -0.287 3.878 4.170 -0.009 0.000 0.245 453 I C 1.591 177.832 176.117 0.206 0.000 1.100 453 I CA 1.180 62.637 61.300 0.261 0.000 1.374 453 I CB -0.233 37.888 38.000 0.201 0.000 1.057 453 I HN 0.148 nan 8.210 nan 0.000 0.413 454 D N 0.539 121.018 120.400 0.131 0.000 2.144 454 D HA -0.128 4.507 4.640 -0.009 0.000 0.199 454 D C 2.328 178.684 176.300 0.094 0.000 0.984 454 D CA 0.915 54.968 54.000 0.089 0.000 0.834 454 D CB -0.211 40.630 40.800 0.068 0.000 0.955 454 D HN 0.198 nan 8.370 nan 0.000 0.465 455 R N -0.083 120.488 120.500 0.119 0.000 2.092 455 R HA -0.108 4.227 4.340 -0.009 0.000 0.231 455 R C 2.129 178.541 176.300 0.186 0.000 1.119 455 R CA 0.422 56.592 56.100 0.116 0.000 0.970 455 R CB -1.000 29.358 30.300 0.097 0.000 0.864 455 R HN 0.340 nan 8.270 nan 0.000 0.440 456 W N 1.973 123.275 121.300 0.004 0.000 2.358 456 W HA -0.092 4.562 4.660 -0.009 0.000 0.303 456 W C 2.097 178.610 176.519 -0.010 0.000 1.208 456 W CA 1.383 58.731 57.345 0.005 0.000 1.274 456 W CB -0.618 28.852 29.460 0.016 0.000 1.138 456 W HN 0.135 nan 8.180 nan 0.000 0.515 457 A N 0.174 123.002 122.820 0.014 0.000 1.933 457 A HA -0.232 4.083 4.320 -0.009 0.000 0.218 457 A C 1.872 179.377 177.584 -0.132 0.000 1.175 457 A CA 1.994 53.925 52.037 -0.176 0.000 0.628 457 A CB -0.779 18.140 19.000 -0.134 0.000 0.814 457 A HN 0.458 nan 8.150 nan 0.000 0.444 458 E N -0.363 119.816 120.200 -0.036 0.000 2.072 458 E HA -0.109 4.235 4.350 -0.009 0.000 0.191 458 E C 1.852 178.440 176.600 -0.019 0.000 0.985 458 E CA 1.159 57.540 56.400 -0.033 0.000 0.801 458 E CB -0.257 29.447 29.700 0.006 0.000 0.750 458 E HN 0.700 nan 8.360 nan 0.000 0.452 459 I N 0.862 121.457 120.570 0.042 0.000 2.226 459 I HA -0.276 3.889 4.170 -0.009 0.000 0.245 459 I C 2.241 178.373 176.117 0.025 0.000 1.100 459 I CA 0.987 62.329 61.300 0.069 0.000 1.374 459 I CB -0.163 37.931 38.000 0.158 0.000 1.057 459 I HN 0.113 nan 8.210 nan 0.000 0.413 460 L N 0.423 121.634 121.223 -0.019 0.000 2.083 460 L HA -0.197 4.138 4.340 -0.009 0.000 0.209 460 L C 2.822 179.588 176.870 -0.174 0.000 1.083 460 L CA 1.221 56.004 54.840 -0.095 0.000 0.752 460 L CB -0.675 41.240 42.059 -0.241 0.000 0.899 460 L HN 0.247 nan 8.230 nan 0.000 0.433 461 A N 0.289 122.976 122.820 -0.221 0.000 1.902 461 A HA -0.178 4.137 4.320 -0.009 0.000 0.217 461 A C 2.205 179.672 177.584 -0.194 0.000 1.181 461 A CA 1.489 53.360 52.037 -0.277 0.000 0.623 461 A CB -0.606 18.238 19.000 -0.260 0.000 0.818 461 A HN 0.354 nan 8.150 nan 0.000 0.443 462 I N -0.880 119.626 120.570 -0.106 0.000 2.226 462 I HA -0.218 3.947 4.170 -0.009 0.000 0.245 462 I C 2.409 178.465 176.117 -0.102 0.000 1.100 462 I CA 1.125 62.390 61.300 -0.059 0.000 1.374 462 I CB -0.255 37.746 38.000 0.003 0.000 1.057 462 I HN 0.390 nan 8.210 nan 0.000 0.413 463 L N 1.221 122.399 121.223 -0.076 0.000 2.046 463 L HA -0.151 4.184 4.340 -0.009 0.000 0.208 463 L C 2.537 179.350 176.870 -0.094 0.000 1.077 463 L CA 2.121 56.920 54.840 -0.068 0.000 0.747 463 L CB -0.820 41.239 42.059 -0.001 0.000 0.896 463 L HN 0.187 nan 8.230 nan 0.000 0.432 464 A N -0.520 122.239 122.820 -0.101 0.000 1.877 464 A HA -0.165 4.150 4.320 -0.009 0.000 0.216 464 A C 2.266 179.777 177.584 -0.123 0.000 1.186 464 A CA 1.990 53.977 52.037 -0.082 0.000 0.620 464 A CB -0.895 18.012 19.000 -0.156 0.000 0.822 464 A HN 0.500 nan 8.150 nan 0.000 0.443 465 L N -0.909 120.207 121.223 -0.179 0.000 2.083 465 L HA -0.238 4.097 4.340 -0.009 0.000 0.209 465 L C 2.730 179.402 176.870 -0.331 0.000 1.083 465 L CA 1.193 55.947 54.840 -0.144 0.000 0.752 465 L CB -0.691 41.357 42.059 -0.018 0.000 0.899 465 L HN 0.491 nan 8.230 nan 0.000 0.433 466 C N -0.204 118.763 119.300 -0.554 0.000 2.429 466 C HA -0.140 4.315 4.460 -0.009 0.000 0.277 466 C C 2.752 177.528 174.990 -0.357 0.000 1.262 466 C CA 0.494 59.038 59.018 -0.791 0.000 1.733 466 C CB -0.734 26.676 27.740 -0.550 0.000 2.010 466 C HN 0.428 nan 8.230 nan 0.000 0.483 467 L N 0.881 121.992 121.223 -0.186 0.000 2.093 467 L HA -0.131 4.204 4.340 -0.009 0.000 0.208 467 L C 2.850 179.698 176.870 -0.037 0.000 1.085 467 L CA 1.441 56.236 54.840 -0.075 0.000 0.755 467 L CB -0.675 41.375 42.059 -0.015 0.000 0.904 467 L HN 0.340 nan 8.230 nan 0.000 0.435 468 A N -0.313 122.490 122.820 -0.029 0.000 1.902 468 A HA -0.297 4.017 4.320 -0.009 0.000 0.217 468 A C 2.211 179.815 177.584 0.032 0.000 1.181 468 A CA 1.993 54.044 52.037 0.024 0.000 0.623 468 A CB -0.524 18.506 19.000 0.050 0.000 0.818 468 A HN 0.428 nan 8.150 nan 0.000 0.443 469 Q N -0.370 119.444 119.800 0.024 0.000 2.046 469 Q HA -0.011 4.324 4.340 -0.009 0.000 0.200 469 Q C 2.072 178.093 176.000 0.036 0.000 0.975 469 Q CA 2.064 57.915 55.803 0.079 0.000 0.836 469 Q CB -0.500 28.357 28.738 0.198 0.000 0.896 469 Q HN 0.547 nan 8.270 nan 0.000 0.428 470 A N 0.419 123.230 122.820 -0.016 0.000 1.933 470 A HA -0.089 4.226 4.320 -0.009 0.000 0.218 470 A C 2.300 179.886 177.584 0.003 0.000 1.175 470 A CA 1.773 53.803 52.037 -0.012 0.000 0.628 470 A CB -1.199 17.779 19.000 -0.037 0.000 0.814 470 A HN 0.553 nan 8.150 nan 0.000 0.444 471 A N -0.080 122.745 122.820 0.009 0.000 1.902 471 A HA -0.186 4.129 4.320 -0.009 0.000 0.217 471 A C 1.918 179.514 177.584 0.021 0.000 1.181 471 A CA 1.689 53.737 52.037 0.018 0.000 0.623 471 A CB -0.515 18.501 19.000 0.026 0.000 0.818 471 A HN 0.654 nan 8.150 nan 0.000 0.443 472 E N -0.261 119.955 120.200 0.027 0.000 2.107 472 E HA -0.074 4.271 4.350 -0.009 0.000 0.191 472 E C 1.921 178.533 176.600 0.019 0.000 0.982 472 E CA 0.890 57.306 56.400 0.028 0.000 0.809 472 E CB -0.249 29.475 29.700 0.039 0.000 0.756 472 E HN 0.608 nan 8.360 nan 0.000 0.459 473 L N 0.475 121.707 121.223 0.016 0.000 2.093 473 L HA -0.151 4.184 4.340 -0.009 0.000 0.208 473 L C 2.640 179.509 176.870 -0.000 0.000 1.085 473 L CA 0.934 55.776 54.840 0.003 0.000 0.755 473 L CB -0.143 41.914 42.059 -0.003 0.000 0.904 473 L HN 0.015 nan 8.230 nan 0.000 0.435 474 R N -0.360 120.142 120.500 0.003 0.000 2.075 474 R HA -0.039 4.295 4.340 -0.009 0.000 0.226 474 R C 1.751 178.054 176.300 0.005 0.000 1.114 474 R CA 1.561 57.662 56.100 0.002 0.000 0.972 474 R CB -0.331 29.970 30.300 0.002 0.000 0.869 474 R HN 0.351 nan 8.270 nan 0.000 0.437 475 C N 0.036 119.341 119.300 0.009 0.000 3.183 475 C HA 0.662 5.116 4.460 -0.009 0.000 0.285 475 C C 0.618 175.615 174.990 0.012 0.000 1.313 475 C CA -0.344 58.680 59.018 0.011 0.000 1.711 475 C CB -0.689 27.059 27.740 0.014 0.000 2.135 475 C HN 0.730 nan 8.230 nan 0.000 0.651 476 G N 1.734 110.541 108.800 0.012 0.000 2.781 476 G HA2 -0.147 3.808 3.960 -0.009 0.000 0.683 476 G HA3 -0.147 3.808 3.960 -0.009 0.000 0.683 476 G C 0.721 175.631 174.900 0.018 0.000 1.390 476 G CA 0.084 45.192 45.100 0.013 0.000 0.850 476 G HN 0.789 nan 8.290 nan 0.000 0.557 477 S N -0.789 114.922 115.700 0.018 0.000 2.440 477 S HA 0.043 4.508 4.470 -0.009 0.000 0.238 477 S C 2.357 176.970 174.600 0.022 0.000 1.010 477 S CA 1.921 60.134 58.200 0.022 0.000 0.972 477 S CB -0.195 63.017 63.200 0.021 0.000 0.774 477 S HN 2.176 nan 8.310 nan 0.000 0.501 478 G N 0.728 109.539 108.800 0.018 0.000 2.920 478 G HA2 0.373 4.328 3.960 -0.009 0.000 0.208 478 G HA3 0.373 4.328 3.960 -0.009 0.000 0.208 478 G C 0.535 175.446 174.900 0.018 0.000 1.159 478 G CA -0.111 45.000 45.100 0.017 0.000 0.784 478 G HN 0.600 nan 8.290 nan 0.000 0.535 479 L N 0.933 122.168 121.223 0.020 0.000 3.660 479 L HA -0.144 4.191 4.340 -0.009 0.000 0.440 479 L C -0.903 175.978 176.870 0.018 0.000 1.262 479 L CA -0.122 54.730 54.840 0.021 0.000 0.837 479 L CB -1.704 40.369 42.059 0.024 0.000 1.689 479 L HN 0.202 nan 8.230 nan 0.000 0.890 480 D N 1.435 121.843 120.400 0.015 0.000 2.434 480 D HA 0.297 4.932 4.640 -0.009 0.000 0.252 480 D C 1.373 177.680 176.300 0.013 0.000 1.185 480 D CA 1.396 55.404 54.000 0.013 0.000 0.886 480 D CB 1.261 42.068 40.800 0.011 0.000 1.148 480 D HN 0.541 nan 8.370 nan 0.000 0.483 481 G N 1.423 110.231 108.800 0.013 0.000 2.195 481 G HA2 -0.274 3.681 3.960 -0.009 0.000 0.246 481 G HA3 -0.274 3.681 3.960 -0.009 0.000 0.246 481 G C 0.436 175.346 174.900 0.016 0.000 0.984 481 G CA 0.065 45.173 45.100 0.013 0.000 0.633 481 G HN 0.516 nan 8.290 nan 0.000 0.525 482 V N 2.582 122.507 119.914 0.018 0.000 2.686 482 V HA 0.507 4.622 4.120 -0.009 0.000 0.295 482 V C 1.491 177.598 176.094 0.022 0.000 1.055 482 V CA 0.143 62.456 62.300 0.023 0.000 1.050 482 V CB 1.405 33.243 31.823 0.025 0.000 0.984 482 V HN 1.066 nan 8.190 nan 0.000 0.482 483 S N 4.883 120.598 115.700 0.027 0.000 2.569 483 S HA 0.111 4.575 4.470 -0.009 0.000 0.274 483 S C -1.738 172.873 174.600 0.020 0.000 1.353 483 S CA -0.575 57.640 58.200 0.025 0.000 1.023 483 S CB 0.417 63.637 63.200 0.033 0.000 0.876 483 S HN 0.582 nan 8.310 nan 0.000 0.540 484 P HA -0.027 nan 4.420 nan 0.000 0.217 484 P C 1.617 178.921 177.300 0.007 0.000 1.150 484 P CA 1.860 64.966 63.100 0.011 0.000 0.832 484 P CB -0.232 31.472 31.700 0.007 0.000 0.787 485 A N -0.234 122.588 122.820 0.004 0.000 1.898 485 A HA -0.063 4.251 4.320 -0.009 0.000 0.216 485 A C 2.476 180.058 177.584 -0.003 0.000 1.181 485 A CA 2.028 54.059 52.037 -0.009 0.000 0.620 485 A CB -1.865 17.124 19.000 -0.017 0.000 0.819 485 A HN 0.265 nan 8.150 nan 0.000 0.442 486 G N -0.305 108.504 108.800 0.014 0.000 2.418 486 G HA2 -0.230 3.724 3.960 -0.009 0.000 0.217 486 G HA3 -0.230 3.724 3.960 -0.009 0.000 0.217 486 G C 1.685 176.603 174.900 0.029 0.000 1.158 486 G CA 1.123 46.239 45.100 0.026 0.000 0.771 486 G HN 0.566 nan 8.290 nan 0.000 0.545 487 K N 0.190 120.606 120.400 0.026 0.000 2.026 487 K HA -0.065 4.249 4.320 -0.009 0.000 0.208 487 K C 2.451 179.069 176.600 0.030 0.000 1.048 487 K CA 1.336 57.640 56.287 0.028 0.000 0.929 487 K CB -0.146 32.368 32.500 0.023 0.000 0.713 487 K HN 0.250 nan 8.250 nan 0.000 0.439 488 K N 1.360 121.773 120.400 0.022 0.000 2.057 488 K HA -0.142 4.173 4.320 -0.009 0.000 0.207 488 K C 2.161 178.783 176.600 0.036 0.000 1.049 488 K CA 1.022 57.323 56.287 0.022 0.000 0.931 488 K CB -0.094 32.410 32.500 0.006 0.000 0.714 488 K HN 0.109 nan 8.250 nan 0.000 0.440 489 L N 0.620 121.862 121.223 0.032 0.000 1.994 489 L HA -0.174 4.160 4.340 -0.009 0.000 0.208 489 L C 2.076 179.011 176.870 0.108 0.000 1.071 489 L CA 1.169 56.047 54.840 0.063 0.000 0.745 489 L CB -0.177 41.905 42.059 0.038 0.000 0.892 489 L HN 0.018 nan 8.230 nan 0.000 0.431 490 V N -0.056 119.909 119.914 0.085 0.000 2.343 490 V HA -0.317 3.798 4.120 -0.009 0.000 0.247 490 V C 2.476 178.621 176.094 0.085 0.000 1.051 490 V CA 2.055 64.407 62.300 0.087 0.000 1.036 490 V CB -0.690 31.172 31.823 0.065 0.000 0.654 490 V HN 0.549 nan 8.190 nan 0.000 0.451 491 Q N -0.105 119.735 119.800 0.067 0.000 2.084 491 Q HA -0.180 4.154 4.340 -0.009 0.000 0.202 491 Q C 2.428 178.469 176.000 0.068 0.000 0.978 491 Q CA 1.834 57.672 55.803 0.059 0.000 0.844 491 Q CB -0.446 28.318 28.738 0.043 0.000 0.898 491 Q HN 0.681 nan 8.270 nan 0.000 0.426 492 A N 0.785 123.654 122.820 0.081 0.000 1.902 492 A HA -0.156 4.159 4.320 -0.009 0.000 0.217 492 A C 2.062 179.714 177.584 0.114 0.000 1.181 492 A CA 1.048 53.140 52.037 0.091 0.000 0.623 492 A CB -0.661 18.409 19.000 0.116 0.000 0.818 492 A HN 0.293 nan 8.150 nan 0.000 0.443 493 L N -1.014 120.302 121.223 0.156 0.000 2.046 493 L HA -0.155 4.180 4.340 -0.009 0.000 0.208 493 L C 2.618 179.627 176.870 0.231 0.000 1.077 493 L CA 0.991 55.964 54.840 0.221 0.000 0.747 493 L CB -0.390 41.775 42.059 0.176 0.000 0.896 493 L HN 0.273 nan 8.230 nan 0.000 0.432 494 R N 0.250 120.836 120.500 0.143 0.000 2.328 494 R HA -0.126 4.208 4.340 -0.009 0.000 0.207 494 R C 1.802 178.131 176.300 0.049 0.000 1.056 494 R CA 0.655 56.819 56.100 0.106 0.000 1.016 494 R CB -0.362 29.985 30.300 0.079 0.000 0.872 494 R HN 0.543 nan 8.270 nan 0.000 0.471 495 E N -0.030 120.189 120.200 0.032 0.000 2.150 495 E HA -0.130 4.214 4.350 -0.009 0.000 0.193 495 E C 1.425 177.966 176.600 -0.098 0.000 0.985 495 E CA 0.779 57.167 56.400 -0.021 0.000 0.814 495 E CB 0.289 29.980 29.700 -0.015 0.000 0.752 495 E HN 0.216 nan 8.360 nan 0.000 0.466 496 Q N -1.253 118.445 119.800 -0.171 0.000 2.288 496 Q HA 0.138 4.472 4.340 -0.009 0.000 0.256 496 Q C -0.409 175.154 176.000 -0.728 0.000 0.835 496 Q CA 0.263 55.775 55.803 -0.484 0.000 0.958 496 Q CB 0.945 29.254 28.738 -0.716 0.000 1.125 496 Q HN 0.110 nan 8.270 nan 0.000 0.513 497 F N 2.147 122.087 119.950 -0.017 0.000 2.434 497 F HA 0.425 4.947 4.527 -0.009 0.000 0.355 497 F C -2.129 173.683 175.800 0.020 0.000 1.115 497 F CA -2.520 55.481 58.000 0.002 0.000 1.010 497 F CB 1.349 40.352 39.000 0.004 0.000 1.234 497 F HN -0.190 nan 8.300 nan 0.000 0.439 498 P HA 0.141 nan 4.420 nan 0.000 0.272 498 P C -2.344 175.028 177.300 0.120 0.000 1.230 498 P CA -0.952 62.201 63.100 0.090 0.000 0.788 498 P CB 0.032 31.759 31.700 0.044 0.000 0.949 499 P HA 0.065 nan 4.420 nan 0.000 0.272 499 P C -0.733 176.621 177.300 0.089 0.000 1.240 499 P CA -0.107 63.059 63.100 0.111 0.000 0.791 499 P CB 0.482 32.232 31.700 0.083 0.000 0.978 500 L N 1.757 123.039 121.223 0.099 0.000 2.352 500 L HA 0.177 4.511 4.340 -0.009 0.000 0.272 500 L C 1.275 178.157 176.870 0.021 0.000 1.109 500 L CA 0.359 55.208 54.840 0.014 0.000 0.952 500 L CB -0.642 41.351 42.059 -0.110 0.000 1.314 500 L HN 0.302 nan 8.230 nan 0.000 0.427 501 E N 0.920 121.131 120.200 0.019 0.000 2.216 501 E HA 0.014 4.358 4.350 -0.009 0.000 0.192 501 E C 0.227 176.839 176.600 0.020 0.000 0.988 501 E CA 0.563 56.976 56.400 0.022 0.000 0.834 501 E CB 0.385 30.097 29.700 0.020 0.000 0.772 501 E HN 0.578 nan 8.360 nan 0.000 0.479 502 T N -0.004 114.552 114.554 0.003 0.000 2.889 502 T HA 0.118 4.462 4.350 -0.009 0.000 0.315 502 T C -1.780 172.901 174.700 -0.031 0.000 1.291 502 T CA -1.011 61.090 62.100 0.003 0.000 1.028 502 T CB 1.339 70.209 68.868 0.004 0.000 1.235 502 T HN -0.228 nan 8.240 nan 0.000 0.491 503 D N 2.592 122.970 120.400 -0.037 0.000 2.472 503 D HA 0.363 4.997 4.640 -0.009 0.000 0.237 503 D C 0.583 176.843 176.300 -0.067 0.000 1.141 503 D CA 0.628 54.584 54.000 -0.073 0.000 0.875 503 D CB 0.392 41.154 40.800 -0.063 0.000 1.192 503 D HN 0.686 nan 8.370 nan 0.000 0.450 504 R N 0.248 120.695 120.500 -0.088 0.000 2.692 504 R HA 0.605 4.939 4.340 -0.009 0.000 0.269 504 R C -3.143 173.119 176.300 -0.064 0.000 1.030 504 R CA -1.671 54.393 56.100 -0.060 0.000 0.882 504 R CB 0.290 30.563 30.300 -0.044 0.000 1.250 504 R HN 0.015 nan 8.270 nan 0.000 0.465 505 P HA 0.133 nan 4.420 nan 0.000 0.267 505 P C -0.291 176.998 177.300 -0.018 0.000 1.205 505 P CA -0.250 62.833 63.100 -0.029 0.000 0.765 505 P CB 0.593 32.283 31.700 -0.016 0.000 0.828 506 L N 1.617 122.831 121.223 -0.015 0.000 2.731 506 L HA 0.180 4.515 4.340 -0.009 0.000 0.240 506 L C 2.291 179.180 176.870 0.032 0.000 1.120 506 L CA 0.369 55.217 54.840 0.013 0.000 0.913 506 L CB -0.290 41.773 42.059 0.007 0.000 1.213 506 L HN 0.532 nan 8.230 nan 0.000 0.515 507 G N 0.125 108.937 108.800 0.020 0.000 2.476 507 G HA2 -0.304 3.651 3.960 -0.009 0.000 0.218 507 G HA3 -0.304 3.651 3.960 -0.009 0.000 0.218 507 G C 1.411 176.330 174.900 0.032 0.000 1.164 507 G CA 0.710 45.823 45.100 0.022 0.000 0.768 507 G HN 0.362 nan 8.290 nan 0.000 0.560 508 Q N -0.186 119.637 119.800 0.038 0.000 2.119 508 Q HA -0.069 4.265 4.340 -0.009 0.000 0.201 508 Q C 2.540 178.595 176.000 0.092 0.000 0.972 508 Q CA 1.242 57.075 55.803 0.050 0.000 0.847 508 Q CB -0.071 28.691 28.738 0.040 0.000 0.903 508 Q HN 0.628 nan 8.270 nan 0.000 0.433 509 E N 0.438 120.713 120.200 0.125 0.000 2.106 509 E HA -0.142 4.202 4.350 -0.009 0.000 0.192 509 E C 1.936 178.589 176.600 0.088 0.000 0.984 509 E CA 0.715 57.262 56.400 0.245 0.000 0.806 509 E CB 0.003 29.876 29.700 0.288 0.000 0.750 509 E HN 0.332 nan 8.360 nan 0.000 0.458 510 I N 1.161 121.740 120.570 0.016 0.000 2.179 510 I HA -0.293 3.872 4.170 -0.009 0.000 0.242 510 I C 2.540 178.632 176.117 -0.043 0.000 1.088 510 I CA 1.068 62.338 61.300 -0.049 0.000 1.357 510 I CB -0.305 37.688 38.000 -0.013 0.000 1.051 510 I HN 0.094 nan 8.210 nan 0.000 0.409 511 A N 0.666 123.489 122.820 0.006 0.000 1.902 511 A HA -0.159 4.155 4.320 -0.009 0.000 0.217 511 A C 2.542 180.143 177.584 0.027 0.000 1.181 511 A CA 1.865 53.909 52.037 0.011 0.000 0.623 511 A CB -0.870 18.144 19.000 0.024 0.000 0.818 511 A HN 0.435 nan 8.150 nan 0.000 0.443 512 A N -0.575 122.293 122.820 0.080 0.000 1.877 512 A HA -0.045 4.270 4.320 -0.009 0.000 0.216 512 A C 2.135 179.806 177.584 0.145 0.000 1.186 512 A CA 1.782 53.904 52.037 0.141 0.000 0.620 512 A CB -0.629 18.512 19.000 0.236 0.000 0.822 512 A HN 0.664 nan 8.150 nan 0.000 0.443 513 L N -0.257 120.990 121.223 0.040 0.000 2.056 513 L HA -0.011 4.324 4.340 -0.009 0.000 0.207 513 L C 2.670 179.443 176.870 -0.163 0.000 1.078 513 L CA 2.043 56.783 54.840 -0.168 0.000 0.749 513 L CB -0.881 40.792 42.059 -0.644 0.000 0.901 513 L HN 0.351 nan 8.230 nan 0.000 0.433 514 A N -1.536 121.194 122.820 -0.149 0.000 1.908 514 A HA -0.239 4.075 4.320 -0.009 0.000 0.218 514 A C 2.268 179.792 177.584 -0.101 0.000 1.181 514 A CA 2.385 54.331 52.037 -0.153 0.000 0.627 514 A CB -1.241 17.702 19.000 -0.095 0.000 0.818 514 A HN 0.506 nan 8.150 nan 0.000 0.445 515 T N -1.499 113.039 114.554 -0.027 0.000 2.788 515 T HA -0.167 4.178 4.350 -0.009 0.000 0.268 515 T C 1.839 176.544 174.700 0.008 0.000 1.044 515 T CA 1.911 64.014 62.100 0.006 0.000 1.139 515 T CB -0.382 68.509 68.868 0.039 0.000 0.867 515 T HN 0.816 nan 8.240 nan 0.000 0.454 516 H N 1.043 120.067 119.070 -0.076 0.000 2.326 516 H HA 0.122 4.673 4.556 -0.009 0.000 0.301 516 H C 2.019 177.264 175.328 -0.138 0.000 1.081 516 H CA 1.184 57.190 56.048 -0.070 0.000 1.334 516 H CB -0.451 29.291 29.762 -0.032 0.000 1.385 516 H HN 0.228 nan 8.280 nan 0.000 0.504 517 L N 0.022 121.072 121.223 -0.289 0.000 2.127 517 L HA -0.183 4.152 4.340 -0.009 0.000 0.211 517 L C 2.308 179.024 176.870 -0.256 0.000 1.089 517 L CA 1.031 55.556 54.840 -0.524 0.000 0.757 517 L CB -0.509 41.051 42.059 -0.831 0.000 0.899 517 L HN 0.343 nan 8.230 nan 0.000 0.434 518 L N -0.819 120.292 121.223 -0.187 0.000 2.275 518 L HA -0.164 4.171 4.340 -0.009 0.000 0.215 518 L C 2.195 179.021 176.870 -0.074 0.000 1.119 518 L CA 1.014 55.805 54.840 -0.080 0.000 0.790 518 L CB -0.197 41.847 42.059 -0.024 0.000 0.919 518 L HN 0.377 nan 8.230 nan 0.000 0.443 519 Q N -1.579 118.087 119.800 -0.224 0.000 2.280 519 Q HA 0.198 4.532 4.340 -0.009 0.000 0.228 519 Q C -0.044 175.508 176.000 -0.748 0.000 0.857 519 Q CA 0.053 55.676 55.803 -0.300 0.000 0.939 519 Q CB 1.095 29.770 28.738 -0.105 0.000 1.114 519 Q HN 0.434 nan 8.270 nan 0.000 0.514 520 Q N -0.317 119.014 119.800 -0.781 0.000 2.416 520 Q HA 0.478 4.813 4.340 -0.009 0.000 0.281 520 Q C -1.284 174.612 176.000 -0.174 0.000 1.067 520 Q CA -0.426 55.003 55.803 -0.623 0.000 0.809 520 Q CB 2.723 31.196 28.738 -0.440 0.000 1.418 520 Q HN -0.065 nan 8.270 nan 0.000 0.411 521 S N 1.734 117.409 115.700 -0.042 0.000 2.681 521 S HA 0.552 5.016 4.470 -0.009 0.000 0.299 521 S C -2.401 172.006 174.600 -0.322 0.000 1.113 521 S CA -1.167 56.954 58.200 -0.130 0.000 1.013 521 S CB 1.068 64.240 63.200 -0.048 0.000 1.076 521 S HN 0.437 nan 8.310 nan 0.000 0.534 522 P HA 0.206 nan 4.420 nan 0.000 0.238 522 P C -0.409 176.695 177.300 -0.326 0.000 1.794 522 P CA -0.156 62.558 63.100 -0.643 0.000 1.088 522 P CB -0.355 30.666 31.700 -1.132 0.000 1.923 523 V N 0.000 119.810 119.914 -0.174 0.000 2.409 523 V HA 0.000 4.115 4.120 -0.009 0.000 0.244 523 V CA 0.000 62.235 62.300 -0.108 0.000 1.235 523 V CB 0.000 31.779 31.823 -0.073 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556