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 2o7e_1_G DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV 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 0.019 0.000 0.988 8 K CA 0.000 56.300 56.287 0.021 0.000 0.838 8 K CB 0.000 32.514 32.500 0.024 0.000 1.064 9 P HA 0.167 nan 4.420 nan 0.000 0.269 9 P C -1.481 175.828 177.300 0.016 0.000 1.211 9 P CA -0.389 62.723 63.100 0.019 0.000 0.781 9 P CB 0.706 32.421 31.700 0.024 0.000 0.877 10 A N 1.146 123.974 122.820 0.013 0.000 2.374 10 A HA 0.546 4.866 4.320 -0.000 0.000 0.305 10 A C -1.001 176.587 177.584 0.007 0.000 1.053 10 A CA -0.593 51.449 52.037 0.008 0.000 0.726 10 A CB 1.218 20.222 19.000 0.007 0.000 1.229 10 A HN 0.312 nan 8.150 nan 0.000 0.431 11 V N 2.342 122.257 119.914 0.002 0.000 2.370 11 V HA 0.312 4.432 4.120 -0.000 0.000 0.279 11 V C 0.289 176.381 176.094 -0.003 0.000 1.029 11 V CA -0.304 61.996 62.300 -0.000 0.000 0.870 11 V CB 1.257 33.075 31.823 -0.008 0.000 0.984 11 V HN 0.950 nan 8.190 nan 0.000 0.451 12 E N 4.530 124.731 120.200 0.002 0.000 2.115 12 E HA 0.392 4.742 4.350 -0.000 0.000 0.282 12 E C -1.026 175.575 176.600 0.001 0.000 0.987 12 E CA -0.802 55.599 56.400 0.002 0.000 0.797 12 E CB 1.341 31.045 29.700 0.006 0.000 1.086 12 E HN 0.559 nan 8.360 nan 0.000 0.397 13 L N 5.349 126.569 121.223 -0.004 0.000 2.265 13 L HA 0.286 4.625 4.340 -0.000 0.000 0.288 13 L C -0.196 176.675 176.870 0.002 0.000 1.058 13 L CA 0.487 55.323 54.840 -0.007 0.000 0.809 13 L CB 1.209 43.258 42.059 -0.017 0.000 1.179 13 L HN 0.737 nan 8.230 nan 0.000 0.429 14 D N 2.873 123.279 120.400 0.010 0.000 3.061 14 D HA 0.190 4.830 4.640 -0.000 0.000 0.243 14 D C 1.350 177.662 176.300 0.020 0.000 1.572 14 D CA 0.763 54.773 54.000 0.016 0.000 1.269 14 D CB 0.709 41.523 40.800 0.023 0.000 1.023 14 D HN 0.574 nan 8.370 nan 0.000 0.280 15 R N -1.784 118.739 120.500 0.038 0.000 2.215 15 R HA 0.204 4.544 4.340 -0.000 0.000 0.190 15 R C 0.135 176.480 176.300 0.076 0.000 0.968 15 R CA -0.152 55.977 56.100 0.049 0.000 1.122 15 R CB 0.556 30.888 30.300 0.054 0.000 1.151 15 R HN 0.215 nan 8.270 nan 0.000 0.582 16 H N 0.164 119.228 119.070 -0.010 0.000 2.495 16 H HA 0.539 5.095 4.556 -0.000 0.000 0.348 16 H C -1.393 173.930 175.328 -0.009 0.000 1.113 16 H CA -0.644 55.397 56.048 -0.012 0.000 1.195 16 H CB 1.432 31.187 29.762 -0.011 0.000 1.521 16 H HN 0.019 nan 8.280 nan 0.000 0.509 17 I N 4.263 124.510 120.570 -0.538 0.000 2.582 17 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 17 I C -1.182 174.642 176.117 -0.489 0.000 1.066 17 I CA -0.884 60.223 61.300 -0.322 0.000 1.053 17 I CB 1.575 39.468 38.000 -0.178 0.000 1.241 17 I HN 0.853 nan 8.210 nan 0.000 0.421 18 D N 5.920 126.204 120.400 -0.192 0.000 2.388 18 D HA 0.236 4.876 4.640 -0.000 0.000 0.254 18 D C 1.003 177.272 176.300 -0.052 0.000 1.111 18 D CA -0.600 53.349 54.000 -0.085 0.000 0.993 18 D CB 1.029 41.866 40.800 0.063 0.000 1.118 18 D HN 0.509 nan 8.370 nan 0.000 0.502 19 L N -0.349 120.869 121.223 -0.009 0.000 2.079 19 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 19 L C 1.516 178.420 176.870 0.056 0.000 1.081 19 L CA 1.461 56.314 54.840 0.020 0.000 0.752 19 L CB -0.487 41.597 42.059 0.041 0.000 0.896 19 L HN 0.468 nan 8.230 nan 0.000 0.433 20 D N -0.255 120.180 120.400 0.058 0.000 2.117 20 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 20 D C 2.333 178.674 176.300 0.068 0.000 0.982 20 D CA 1.068 55.119 54.000 0.084 0.000 0.828 20 D CB -0.123 40.719 40.800 0.070 0.000 0.967 20 D HN 0.407 nan 8.370 nan 0.000 0.464 21 Q N 0.404 120.224 119.800 0.034 0.000 2.084 21 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 21 Q C 2.219 178.218 176.000 -0.002 0.000 0.978 21 Q CA 1.415 57.227 55.803 0.015 0.000 0.844 21 Q CB -0.113 28.623 28.738 -0.004 0.000 0.898 21 Q HN 0.206 nan 8.270 nan 0.000 0.426 22 A N 0.837 123.651 122.820 -0.010 0.000 1.902 22 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 22 A C 1.960 179.527 177.584 -0.029 0.000 1.181 22 A CA 1.631 53.649 52.037 -0.031 0.000 0.623 22 A CB -0.830 18.149 19.000 -0.035 0.000 0.818 22 A HN 0.449 nan 8.150 nan 0.000 0.443 23 H N -0.028 118.989 119.070 -0.087 0.000 2.423 23 H HA 0.046 4.602 4.556 -0.000 0.000 0.297 23 H C 2.221 177.465 175.328 -0.140 0.000 1.075 23 H CA 1.368 57.325 56.048 -0.151 0.000 1.342 23 H CB -0.140 29.453 29.762 -0.281 0.000 1.395 23 H HN 0.410 nan 8.280 nan 0.000 0.530 24 A N 0.422 123.249 122.820 0.011 0.000 1.902 24 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 24 A C 2.810 180.360 177.584 -0.056 0.000 1.181 24 A CA 1.613 53.654 52.037 0.008 0.000 0.623 24 A CB -0.810 18.212 19.000 0.038 0.000 0.818 24 A HN 0.290 nan 8.150 nan 0.000 0.443 25 V N -0.388 119.480 119.914 -0.077 0.000 2.323 25 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 25 V C 3.044 179.040 176.094 -0.164 0.000 1.041 25 V CA 1.712 63.958 62.300 -0.091 0.000 1.025 25 V CB -1.147 30.628 31.823 -0.079 0.000 0.656 25 V HN 0.600 nan 8.190 nan 0.000 0.451 26 A N 0.818 123.496 122.820 -0.235 0.000 1.940 26 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 26 A C 2.402 179.741 177.584 -0.408 0.000 1.176 26 A CA 2.249 54.083 52.037 -0.340 0.000 0.631 26 A CB -0.674 18.121 19.000 -0.342 0.000 0.814 26 A HN 0.689 nan 8.150 nan 0.000 0.446 27 S N -1.938 113.550 115.700 -0.353 0.000 2.603 27 S HA 0.367 4.837 4.470 -0.000 0.000 0.220 27 S C 1.402 176.112 174.600 0.183 0.000 0.967 27 S CA 1.050 59.197 58.200 -0.089 0.000 0.920 27 S CB -0.344 62.749 63.200 -0.178 0.000 0.773 27 S HN 1.954 nan 8.310 nan 0.000 0.529 28 G N 0.369 109.207 108.800 0.063 0.000 2.162 28 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 28 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 28 G C 0.855 175.819 174.900 0.107 0.000 0.976 28 G CA 0.129 45.325 45.100 0.160 0.000 0.655 28 G HN 0.985 nan 8.290 nan 0.000 0.533 29 G N -0.449 108.392 108.800 0.068 0.000 2.572 29 G HA2 0.556 4.516 3.960 -0.000 0.000 0.216 29 G HA3 0.556 4.516 3.960 -0.000 0.000 0.216 29 G C 0.643 175.570 174.900 0.044 0.000 1.133 29 G CA 1.771 46.909 45.100 0.063 0.000 0.791 29 G HN 1.839 nan 8.290 nan 0.000 0.538 30 A N -0.473 122.363 122.820 0.027 0.000 2.539 30 A HA 0.785 5.105 4.320 -0.000 0.000 0.296 30 A C -0.320 177.268 177.584 0.007 0.000 1.073 30 A CA -0.850 51.198 52.037 0.017 0.000 0.700 30 A CB 1.496 20.504 19.000 0.013 0.000 1.296 30 A HN 0.199 nan 8.150 nan 0.000 0.405 31 R N 0.046 120.551 120.500 0.008 0.000 2.543 31 R HA 0.646 4.986 4.340 -0.000 0.000 0.268 31 R C -0.759 175.537 176.300 -0.007 0.000 1.067 31 R CA -0.394 55.707 56.100 0.002 0.000 1.142 31 R CB 1.323 31.627 30.300 0.006 0.000 1.110 31 R HN 0.678 nan 8.270 nan 0.000 0.549 32 I N 0.967 121.529 120.570 -0.012 0.000 2.509 32 I HA 0.380 4.550 4.170 -0.000 0.000 0.293 32 I C -1.308 174.802 176.117 -0.011 0.000 1.020 32 I CA -0.875 60.416 61.300 -0.016 0.000 1.088 32 I CB 1.802 39.786 38.000 -0.027 0.000 1.267 32 I HN 0.196 nan 8.210 nan 0.000 0.430 33 V N 7.463 127.372 119.914 -0.008 0.000 2.709 33 V HA 0.368 4.488 4.120 -0.000 0.000 0.308 33 V C -0.620 175.471 176.094 -0.005 0.000 1.062 33 V CA -0.734 61.562 62.300 -0.005 0.000 0.901 33 V CB 1.843 33.664 31.823 -0.002 0.000 1.003 33 V HN 0.527 nan 8.190 nan 0.000 0.425 34 L N 4.379 125.599 121.223 -0.005 0.000 2.281 34 L HA 0.710 5.050 4.340 -0.000 0.000 0.285 34 L C 0.782 177.652 176.870 -0.000 0.000 1.074 34 L CA 0.394 55.232 54.840 -0.004 0.000 0.817 34 L CB 0.857 42.914 42.059 -0.004 0.000 1.168 34 L HN 0.867 nan 8.230 nan 0.000 0.434 35 A N 6.905 129.726 122.820 0.002 0.000 2.466 35 A HA 0.319 4.639 4.320 -0.000 0.000 0.238 35 A C -1.563 176.024 177.584 0.004 0.000 1.074 35 A CA -0.678 51.362 52.037 0.004 0.000 0.774 35 A CB -0.405 18.600 19.000 0.007 0.000 1.015 35 A HN 0.788 nan 8.150 nan 0.000 0.498 36 P HA -0.164 nan 4.420 nan 0.000 0.216 36 P C -1.303 176.000 177.300 0.005 0.000 1.157 36 P CA 2.009 65.111 63.100 0.004 0.000 0.880 36 P CB -0.689 31.013 31.700 0.004 0.000 0.791 37 P HA -0.124 nan 4.420 nan 0.000 0.218 37 P C 1.264 178.569 177.300 0.008 0.000 1.149 37 P CA 1.782 64.886 63.100 0.007 0.000 0.817 37 P CB -0.380 31.325 31.700 0.008 0.000 0.785 38 A N 0.757 123.581 122.820 0.008 0.000 1.897 38 A HA -0.145 4.174 4.320 -0.000 0.000 0.215 38 A C 2.566 180.154 177.584 0.007 0.000 1.181 38 A CA 1.272 53.314 52.037 0.008 0.000 0.620 38 A CB -1.265 17.739 19.000 0.006 0.000 0.821 38 A HN 0.039 nan 8.150 nan 0.000 0.443 39 R N -0.119 120.384 120.500 0.005 0.000 2.083 39 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 39 R C 1.300 177.603 176.300 0.004 0.000 1.137 39 R CA 2.055 58.157 56.100 0.003 0.000 0.951 39 R CB -0.441 29.860 30.300 0.001 0.000 0.851 39 R HN 0.458 nan 8.270 nan 0.000 0.434 40 D N 0.089 120.492 120.400 0.005 0.000 2.117 40 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 40 D C 2.086 178.391 176.300 0.008 0.000 0.982 40 D CA 1.043 55.046 54.000 0.005 0.000 0.828 40 D CB -0.208 40.595 40.800 0.005 0.000 0.967 40 D HN 0.310 nan 8.370 nan 0.000 0.464 41 R N 0.140 120.646 120.500 0.010 0.000 2.096 41 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 41 R C 2.509 178.820 176.300 0.018 0.000 1.127 41 R CA 1.001 57.111 56.100 0.015 0.000 0.968 41 R CB -0.463 29.847 30.300 0.017 0.000 0.861 41 R HN 0.234 nan 8.270 nan 0.000 0.440 42 C N -0.081 119.229 119.300 0.016 0.000 2.446 42 C HA -0.009 4.451 4.460 -0.000 0.000 0.277 42 C C 2.557 177.553 174.990 0.011 0.000 1.275 42 C CA 0.418 59.447 59.018 0.018 0.000 1.727 42 C CB -0.781 26.967 27.740 0.014 0.000 2.010 42 C HN 0.459 nan 8.230 nan 0.000 0.486 43 R N 1.206 121.710 120.500 0.005 0.000 2.096 43 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 43 R C 2.379 178.678 176.300 -0.000 0.000 1.127 43 R CA 1.606 57.706 56.100 0.000 0.000 0.968 43 R CB -0.454 29.846 30.300 -0.001 0.000 0.861 43 R HN 0.555 nan 8.270 nan 0.000 0.440 44 A N 0.158 122.980 122.820 0.003 0.000 1.930 44 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 44 A C 2.187 179.770 177.584 -0.002 0.000 1.175 44 A CA 1.745 53.783 52.037 0.002 0.000 0.627 44 A CB -0.534 18.471 19.000 0.008 0.000 0.815 44 A HN 0.285 nan 8.150 nan 0.000 0.443 45 S N -0.817 114.888 115.700 0.008 0.000 2.368 45 S HA -0.194 4.276 4.470 -0.000 0.000 0.224 45 S C 2.040 176.615 174.600 -0.041 0.000 1.029 45 S CA 1.554 59.758 58.200 0.007 0.000 0.988 45 S CB -0.341 62.892 63.200 0.054 0.000 0.838 45 S HN 0.674 nan 8.310 nan 0.000 0.462 46 E N 0.405 120.594 120.200 -0.018 0.000 2.097 46 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 46 E C 2.053 178.640 176.600 -0.022 0.000 1.000 46 E CA 1.176 57.566 56.400 -0.016 0.000 0.804 46 E CB -0.365 29.331 29.700 -0.005 0.000 0.740 46 E HN 0.591 nan 8.360 nan 0.000 0.454 47 A N 1.193 123.998 122.820 -0.024 0.000 1.933 47 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 47 A C 2.141 179.688 177.584 -0.062 0.000 1.175 47 A CA 1.333 53.355 52.037 -0.025 0.000 0.628 47 A CB -0.399 18.591 19.000 -0.016 0.000 0.814 47 A HN 0.187 nan 8.150 nan 0.000 0.444 48 R N -1.182 119.262 120.500 -0.092 0.000 2.092 48 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 48 R C 2.091 178.223 176.300 -0.279 0.000 1.119 48 R CA 1.302 57.317 56.100 -0.142 0.000 0.970 48 R CB -0.582 29.651 30.300 -0.112 0.000 0.864 48 R HN 0.492 nan 8.270 nan 0.000 0.440 49 L N 0.704 121.699 121.223 -0.381 0.000 2.046 49 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 49 L C 2.149 178.831 176.870 -0.313 0.000 1.077 49 L CA 2.135 56.664 54.840 -0.517 0.000 0.747 49 L CB -1.040 40.805 42.059 -0.357 0.000 0.896 49 L HN 0.166 nan 8.230 nan 0.000 0.432 50 G N -1.053 107.644 108.800 -0.170 0.000 2.440 50 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 50 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 50 G C 1.586 176.390 174.900 -0.159 0.000 1.154 50 G CA 0.859 45.858 45.100 -0.168 0.000 0.767 50 G HN 0.656 nan 8.290 nan 0.000 0.552 51 A N -0.052 122.696 122.820 -0.120 0.000 1.969 51 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 51 A C 2.581 180.112 177.584 -0.088 0.000 1.169 51 A CA 1.610 53.596 52.037 -0.085 0.000 0.635 51 A CB -0.477 18.487 19.000 -0.060 0.000 0.810 51 A HN 0.245 nan 8.150 nan 0.000 0.445 52 V N 0.295 120.133 119.914 -0.126 0.000 2.343 52 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 52 V C 2.408 178.459 176.094 -0.072 0.000 1.051 52 V CA 2.057 64.309 62.300 -0.080 0.000 1.036 52 V CB -0.574 31.182 31.823 -0.111 0.000 0.654 52 V HN 0.582 nan 8.190 nan 0.000 0.451 53 I N -0.607 119.876 120.570 -0.145 0.000 2.202 53 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 53 I C 2.725 178.781 176.117 -0.101 0.000 1.091 53 I CA 1.519 62.730 61.300 -0.148 0.000 1.368 53 I CB -0.466 37.351 38.000 -0.304 0.000 1.058 53 I HN 0.196 nan 8.210 nan 0.000 0.410 54 R N 1.214 121.652 120.500 -0.102 0.000 2.105 54 R HA -0.195 4.144 4.340 -0.000 0.000 0.239 54 R C 1.794 178.072 176.300 -0.037 0.000 1.135 54 R CA 1.659 57.722 56.100 -0.062 0.000 0.967 54 R CB -0.025 30.243 30.300 -0.054 0.000 0.861 54 R HN 0.399 nan 8.270 nan 0.000 0.442 55 E N -0.717 119.464 120.200 -0.031 0.000 2.502 55 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 55 E C 0.221 176.821 176.600 -0.001 0.000 1.062 55 E CA 0.411 56.805 56.400 -0.011 0.000 0.867 55 E CB 0.491 30.189 29.700 -0.003 0.000 0.888 55 E HN 0.439 nan 8.360 nan 0.000 0.510 56 A N 1.967 124.783 122.820 -0.006 0.000 2.791 56 A HA -0.230 4.090 4.320 -0.000 0.000 0.292 56 A C -0.022 177.584 177.584 0.036 0.000 1.487 56 A CA 0.516 52.556 52.037 0.005 0.000 0.760 56 A CB -1.337 17.661 19.000 -0.004 0.000 1.031 56 A HN 0.122 nan 8.150 nan 0.000 0.503 57 R N 0.129 120.663 120.500 0.057 0.000 2.643 57 R HA 0.136 4.476 4.340 -0.000 0.000 0.270 57 R C 0.528 176.930 176.300 0.170 0.000 1.061 57 R CA -0.146 56.017 56.100 0.105 0.000 1.107 57 R CB 0.172 30.540 30.300 0.112 0.000 0.999 57 R HN 0.717 nan 8.270 nan 0.000 0.460 58 H N 1.834 120.939 119.070 0.058 0.000 3.157 58 H HA 0.228 4.784 4.556 -0.000 0.000 0.260 58 H C -0.913 174.486 175.328 0.118 0.000 1.232 58 H CA -0.415 55.664 56.048 0.052 0.000 1.488 58 H CB 0.201 29.971 29.762 0.014 0.000 1.548 58 H HN 0.046 nan 8.280 nan 0.000 0.487 59 V N 6.155 126.253 119.914 0.306 0.000 2.656 59 V HA 0.017 4.137 4.120 -0.000 0.000 0.307 59 V C -0.631 175.685 176.094 0.370 0.000 1.051 59 V CA -1.001 61.514 62.300 0.359 0.000 0.893 59 V CB 1.396 33.417 31.823 0.330 0.000 0.999 59 V HN 0.633 nan 8.190 nan 0.000 0.426 60 Y N 3.429 123.967 120.300 0.396 0.000 2.712 60 Y HA 0.370 4.920 4.550 -0.000 0.000 0.333 60 Y C 1.391 177.379 175.900 0.148 0.000 1.225 60 Y CA 1.715 59.945 58.100 0.217 0.000 1.499 60 Y CB 0.641 39.280 38.460 0.297 0.000 1.288 60 Y HN 1.034 nan 8.280 nan 0.000 0.575 61 G N 4.032 112.501 108.800 -0.552 0.000 2.245 61 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.264 61 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.264 61 G C 0.667 175.494 174.900 -0.122 0.000 0.985 61 G CA 0.716 45.574 45.100 -0.402 0.000 0.625 61 G HN 0.674 nan 8.290 nan 0.000 0.536 62 L N -0.027 121.179 121.223 -0.028 0.000 2.609 62 L HA 0.295 4.635 4.340 -0.000 0.000 0.230 62 L C 2.200 179.062 176.870 -0.013 0.000 1.064 62 L CA 1.520 56.371 54.840 0.018 0.000 0.873 62 L CB 0.564 42.673 42.059 0.083 0.000 1.139 62 L HN 0.460 nan 8.230 nan 0.000 0.490 63 T N -4.331 110.219 114.554 -0.007 0.000 3.262 63 T HA 0.174 4.524 4.350 -0.000 0.000 0.300 63 T C 0.310 174.980 174.700 -0.049 0.000 0.959 63 T CA 0.172 62.264 62.100 -0.013 0.000 0.936 63 T CB 0.098 68.994 68.868 0.045 0.000 1.169 63 T HN 0.158 nan 8.240 nan 0.000 0.532 64 T N -1.751 112.726 114.554 -0.130 0.000 2.864 64 T HA 0.776 5.126 4.350 -0.000 0.000 0.299 64 T C 0.549 174.988 174.700 -0.434 0.000 1.166 64 T CA -0.288 61.711 62.100 -0.169 0.000 1.007 64 T CB 1.427 70.294 68.868 -0.002 0.000 1.219 64 T HN 0.300 nan 8.240 nan 0.000 0.506 65 G N -0.114 108.482 108.800 -0.340 0.000 2.553 65 G HA2 0.556 4.516 3.960 -0.000 0.000 0.278 65 G HA3 0.556 4.516 3.960 -0.000 0.000 0.278 65 G C -0.999 173.536 174.900 -0.609 0.000 1.349 65 G CA -0.798 44.029 45.100 -0.456 0.000 1.037 65 G HN 0.555 nan 8.290 nan 0.000 0.508 66 F N -0.786 119.150 119.950 -0.024 0.000 2.440 66 F HA 0.592 5.119 4.527 -0.000 0.000 0.328 66 F C 1.277 177.213 175.800 0.225 0.000 1.070 66 F CA 0.427 58.482 58.000 0.091 0.000 1.011 66 F CB 1.218 40.321 39.000 0.171 0.000 1.226 66 F HN 0.998 nan 8.300 nan 0.000 0.491 67 G N 1.661 110.811 108.800 0.583 0.000 2.634 67 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.309 67 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.309 67 G C -1.826 173.195 174.900 0.201 0.000 1.265 67 G CA 0.043 45.322 45.100 0.299 0.000 0.998 67 G HN 0.526 nan 8.290 nan 0.000 0.551 68 P HA 0.128 nan 4.420 nan 0.000 0.230 68 P C 1.681 179.020 177.300 0.066 0.000 1.158 68 P CA 0.801 63.946 63.100 0.076 0.000 0.769 68 P CB -0.084 31.645 31.700 0.047 0.000 0.807 69 L N -1.735 119.532 121.223 0.072 0.000 2.591 69 L HA 0.193 4.533 4.340 -0.000 0.000 0.228 69 L C 2.059 178.946 176.870 0.029 0.000 1.133 69 L CA 0.119 54.977 54.840 0.031 0.000 0.880 69 L CB -0.673 41.386 42.059 -0.001 0.000 1.033 69 L HN -0.058 nan 8.230 nan 0.000 0.450 70 A N 1.501 124.380 122.820 0.098 0.000 2.125 70 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 70 A C 1.990 179.623 177.584 0.082 0.000 1.156 70 A CA 1.517 53.626 52.037 0.119 0.000 0.671 70 A CB -0.560 18.619 19.000 0.299 0.000 0.794 70 A HN 0.661 nan 8.150 nan 0.000 0.459 71 N N -0.500 118.233 118.700 0.054 0.000 2.550 71 N HA -0.058 4.682 4.740 -0.000 0.000 0.186 71 N C 0.045 175.552 175.510 -0.004 0.000 1.110 71 N CA 0.324 53.394 53.050 0.033 0.000 0.912 71 N CB -0.215 38.287 38.487 0.024 0.000 0.968 71 N HN 0.202 nan 8.380 nan 0.000 0.448 72 R N 1.028 121.516 120.500 -0.020 0.000 2.204 72 R HA 0.390 4.730 4.340 -0.000 0.000 0.341 72 R C -0.214 176.044 176.300 -0.069 0.000 1.035 72 R CA -0.288 55.785 56.100 -0.045 0.000 0.887 72 R CB 0.722 30.992 30.300 -0.049 0.000 1.114 72 R HN 0.151 nan 8.270 nan 0.000 0.473 73 L N 4.081 125.255 121.223 -0.082 0.000 2.397 73 L HA 0.363 4.703 4.340 -0.000 0.000 0.271 73 L C 0.124 176.940 176.870 -0.090 0.000 1.148 73 L CA -0.393 54.384 54.840 -0.106 0.000 0.825 73 L CB 0.574 42.543 42.059 -0.149 0.000 1.117 73 L HN 0.346 nan 8.230 nan 0.000 0.456 74 I N 1.470 121.985 120.570 -0.092 0.000 2.441 74 I HA 0.234 4.404 4.170 -0.000 0.000 0.295 74 I C 0.340 176.422 176.117 -0.059 0.000 0.994 74 I CA -0.219 61.035 61.300 -0.077 0.000 1.144 74 I CB 1.689 39.630 38.000 -0.098 0.000 1.314 74 I HN 0.527 nan 8.210 nan 0.000 0.445 75 S N 2.995 118.668 115.700 -0.045 0.000 2.580 75 S HA 0.371 4.841 4.470 -0.000 0.000 0.274 75 S C 1.446 176.030 174.600 -0.027 0.000 1.329 75 S CA 0.110 58.290 58.200 -0.034 0.000 1.036 75 S CB 1.284 64.468 63.200 -0.027 0.000 0.919 75 S HN 0.879 nan 8.310 nan 0.000 0.515 76 G N 2.466 111.252 108.800 -0.023 0.000 2.475 76 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 76 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 76 G C 1.180 176.075 174.900 -0.009 0.000 1.125 76 G CA 1.197 46.286 45.100 -0.018 0.000 0.755 76 G HN 0.944 nan 8.290 nan 0.000 0.565 77 E N 0.201 120.396 120.200 -0.008 0.000 2.265 77 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 77 E C 1.168 177.770 176.600 0.002 0.000 0.996 77 E CA 0.969 57.369 56.400 -0.001 0.000 0.832 77 E CB -0.179 29.519 29.700 -0.003 0.000 0.756 77 E HN 0.345 nan 8.360 nan 0.000 0.491 78 N N 0.646 119.345 118.700 -0.002 0.000 2.214 78 N HA 0.067 4.807 4.740 -0.000 0.000 0.214 78 N C 1.206 176.719 175.510 0.006 0.000 1.132 78 N CA 0.093 53.145 53.050 0.002 0.000 0.856 78 N CB 1.240 39.724 38.487 -0.005 0.000 1.020 78 N HN 0.059 nan 8.380 nan 0.000 0.509 79 V N 0.958 120.877 119.914 0.008 0.000 2.427 79 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 79 V C 2.422 178.540 176.094 0.039 0.000 1.051 79 V CA 1.258 63.569 62.300 0.018 0.000 1.048 79 V CB -0.170 31.664 31.823 0.018 0.000 0.666 79 V HN 0.230 nan 8.190 nan 0.000 0.456 80 R N 0.307 120.828 120.500 0.035 0.000 2.080 80 R HA -0.139 4.201 4.340 -0.000 0.000 0.236 80 R C 2.379 178.694 176.300 0.024 0.000 1.137 80 R CA 2.093 58.211 56.100 0.031 0.000 0.943 80 R CB -1.350 28.964 30.300 0.024 0.000 0.846 80 R HN 0.514 nan 8.270 nan 0.000 0.431 81 T N 2.407 116.976 114.554 0.026 0.000 2.746 81 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 81 T C 1.892 176.624 174.700 0.053 0.000 1.039 81 T CA 1.142 63.259 62.100 0.029 0.000 1.142 81 T CB -0.345 68.542 68.868 0.032 0.000 0.866 81 T HN 0.084 nan 8.240 nan 0.000 0.444 82 L N 1.370 122.635 121.223 0.069 0.000 1.990 82 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 82 L C 2.412 179.416 176.870 0.223 0.000 1.072 82 L CA 1.867 56.788 54.840 0.134 0.000 0.755 82 L CB -0.693 41.404 42.059 0.063 0.000 0.889 82 L HN 0.268 nan 8.230 nan 0.000 0.432 83 Q N -1.054 118.834 119.800 0.147 0.000 2.230 83 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 83 Q C 2.173 178.148 176.000 -0.042 0.000 0.963 83 Q CA 1.093 56.955 55.803 0.098 0.000 0.866 83 Q CB -0.232 28.551 28.738 0.075 0.000 0.931 83 Q HN 0.703 nan 8.270 nan 0.000 0.452 84 A N 1.549 124.328 122.820 -0.068 0.000 1.929 84 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 84 A C 1.730 179.101 177.584 -0.355 0.000 1.176 84 A CA 1.176 53.082 52.037 -0.219 0.000 0.628 84 A CB -0.220 18.683 19.000 -0.161 0.000 0.816 84 A HN 0.245 nan 8.150 nan 0.000 0.444 85 N N -0.093 118.546 118.700 -0.101 0.000 2.216 85 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 85 N C 1.592 177.145 175.510 0.072 0.000 1.017 85 N CA 1.258 54.338 53.050 0.049 0.000 0.861 85 N CB -0.580 38.028 38.487 0.202 0.000 0.986 85 N HN 0.427 nan 8.380 nan 0.000 0.428 86 L N 1.140 122.348 121.223 -0.025 0.000 1.990 86 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 86 L C 1.924 178.391 176.870 -0.671 0.000 1.072 86 L CA 1.546 56.123 54.840 -0.438 0.000 0.755 86 L CB -0.756 40.949 42.059 -0.590 0.000 0.889 86 L HN -0.080 nan 8.230 nan 0.000 0.432 87 V N -0.419 119.243 119.914 -0.420 0.000 2.407 87 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 87 V C 2.375 178.323 176.094 -0.244 0.000 1.055 87 V CA 2.259 64.347 62.300 -0.353 0.000 1.049 87 V CB -1.000 30.661 31.823 -0.271 0.000 0.662 87 V HN 0.640 nan 8.190 nan 0.000 0.455 88 H N -0.420 118.527 119.070 -0.204 0.000 2.299 88 H HA -0.151 4.405 4.556 -0.000 0.000 0.302 88 H C 2.245 177.512 175.328 -0.101 0.000 1.078 88 H CA 1.822 57.799 56.048 -0.120 0.000 1.323 88 H CB -0.250 29.503 29.762 -0.015 0.000 1.381 88 H HN 0.598 nan 8.280 nan 0.000 0.498 89 F N 0.798 120.776 119.950 0.048 0.000 2.365 89 F HA -0.040 4.487 4.527 0.000 0.000 0.300 89 F C 1.630 177.403 175.800 -0.047 0.000 1.090 89 F CA 0.789 58.787 58.000 -0.003 0.000 1.408 89 F CB -0.721 38.281 39.000 0.004 0.000 1.060 89 F HN 0.004 nan 8.300 nan 0.000 0.534 90 L N 0.645 121.487 121.223 -0.635 0.000 2.418 90 L HA 0.193 4.533 4.340 -0.000 0.000 0.218 90 L C 1.829 178.540 176.870 -0.266 0.000 1.125 90 L CA 0.419 54.976 54.840 -0.471 0.000 0.835 90 L CB -0.675 40.998 42.059 -0.643 0.000 0.953 90 L HN 0.289 nan 8.230 nan 0.000 0.454 91 A N 0.074 122.715 122.820 -0.298 0.000 3.074 91 A HA 0.179 4.499 4.320 -0.000 0.000 0.251 91 A C 1.172 178.706 177.584 -0.084 0.000 1.695 91 A CA 0.107 51.855 52.037 -0.481 0.000 1.343 91 A CB -0.604 18.029 19.000 -0.611 0.000 1.078 91 A HN 0.344 nan 8.150 nan 0.000 0.644 92 S N -0.506 115.240 115.700 0.077 0.000 2.574 92 S HA 0.373 4.843 4.470 -0.000 0.000 0.242 92 S C 0.870 175.570 174.600 0.167 0.000 0.982 92 S CA 0.054 58.330 58.200 0.127 0.000 0.977 92 S CB 0.137 63.386 63.200 0.083 0.000 0.814 92 S HN 0.743 nan 8.310 nan 0.000 0.464 93 G N 1.508 110.506 108.800 0.330 0.000 2.527 93 G HA2 0.518 4.478 3.960 -0.000 0.000 0.248 93 G HA3 0.518 4.478 3.960 -0.000 0.000 0.248 93 G C -0.151 174.722 174.900 -0.045 0.000 1.231 93 G CA 0.016 45.164 45.100 0.079 0.000 0.838 93 G HN 0.962 nan 8.290 nan 0.000 0.570 94 V N -1.026 118.853 119.914 -0.057 0.000 3.182 94 V HA 1.036 5.156 4.120 -0.000 0.000 0.308 94 V C 0.561 176.618 176.094 -0.062 0.000 1.240 94 V CA -0.078 62.188 62.300 -0.057 0.000 1.063 94 V CB 1.115 32.927 31.823 -0.019 0.000 1.076 94 V HN 2.546 nan 8.190 nan 0.000 0.446 95 G N 0.482 109.253 108.800 -0.048 0.000 2.661 95 G HA2 0.075 4.035 3.960 -0.000 0.000 0.685 95 G HA3 0.075 4.035 3.960 -0.000 0.000 0.685 95 G C -2.800 172.073 174.900 -0.044 0.000 1.298 95 G CA -0.298 44.780 45.100 -0.038 0.000 0.855 95 G HN 1.127 nan 8.290 nan 0.000 0.560 96 P HA 0.415 nan 4.420 nan 0.000 0.269 96 P C 0.821 178.102 177.300 -0.032 0.000 1.209 96 P CA 0.393 63.480 63.100 -0.022 0.000 0.776 96 P CB 0.872 32.568 31.700 -0.006 0.000 0.876 97 V N 1.427 121.322 119.914 -0.031 0.000 2.924 97 V HA 0.158 4.278 4.120 -0.000 0.000 0.305 97 V C 0.715 176.803 176.094 -0.011 0.000 1.073 97 V CA -0.656 61.622 62.300 -0.037 0.000 1.098 97 V CB -0.519 31.286 31.823 -0.031 0.000 1.000 97 V HN 0.306 nan 8.190 nan 0.000 0.484 98 L N 2.719 123.931 121.223 -0.017 0.000 2.483 98 L HA 0.251 4.591 4.340 -0.000 0.000 0.275 98 L C 0.660 177.548 176.870 0.030 0.000 1.220 98 L CA -0.184 54.658 54.840 0.002 0.000 0.833 98 L CB 0.129 42.180 42.059 -0.014 0.000 1.102 98 L HN 1.027 nan 8.230 nan 0.000 0.490 99 D N -0.356 120.077 120.400 0.055 0.000 2.360 99 D HA -0.086 4.554 4.640 -0.000 0.000 0.242 99 D C 0.673 177.058 176.300 0.142 0.000 1.184 99 D CA -0.482 53.583 54.000 0.108 0.000 0.930 99 D CB 0.501 41.373 40.800 0.119 0.000 1.161 99 D HN 0.543 nan 8.370 nan 0.000 0.447 100 W N 0.999 122.302 121.300 0.005 0.000 2.301 100 W HA -0.286 4.374 4.660 -0.000 0.000 0.325 100 W C 2.188 178.699 176.519 -0.012 0.000 1.250 100 W CA 2.803 60.150 57.345 0.003 0.000 1.261 100 W CB -0.828 28.637 29.460 0.008 0.000 1.157 100 W HN 0.436 nan 8.180 nan 0.000 0.473 101 T N -0.304 114.352 114.554 0.171 0.000 2.746 101 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 101 T C 1.574 176.183 174.700 -0.152 0.000 1.039 101 T CA 2.327 64.377 62.100 -0.084 0.000 1.142 101 T CB -0.914 68.005 68.868 0.085 0.000 0.866 101 T HN 0.182 nan 8.240 nan 0.000 0.444 102 T N 1.967 116.497 114.554 -0.041 0.000 2.777 102 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 102 T C 2.429 177.077 174.700 -0.086 0.000 1.040 102 T CA 1.096 63.172 62.100 -0.039 0.000 1.141 102 T CB -0.534 68.343 68.868 0.014 0.000 0.868 102 T HN 0.427 nan 8.240 nan 0.000 0.444 103 A N 1.740 124.498 122.820 -0.103 0.000 1.933 103 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 103 A C 2.372 179.847 177.584 -0.182 0.000 1.175 103 A CA 1.397 53.361 52.037 -0.122 0.000 0.628 103 A CB -0.460 18.475 19.000 -0.109 0.000 0.814 103 A HN 0.404 nan 8.150 nan 0.000 0.444 104 R N -0.615 119.706 120.500 -0.298 0.000 2.092 104 R HA 0.003 4.343 4.340 -0.000 0.000 0.231 104 R C 2.413 178.574 176.300 -0.232 0.000 1.119 104 R CA 1.035 56.933 56.100 -0.336 0.000 0.970 104 R CB -0.400 29.547 30.300 -0.589 0.000 0.864 104 R HN 0.504 nan 8.270 nan 0.000 0.440 105 A N 1.101 123.801 122.820 -0.200 0.000 1.972 105 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 105 A C 2.104 179.630 177.584 -0.097 0.000 1.169 105 A CA 1.249 53.205 52.037 -0.136 0.000 0.635 105 A CB -0.430 18.513 19.000 -0.094 0.000 0.810 105 A HN 0.318 nan 8.150 nan 0.000 0.446 106 M N -0.296 119.249 119.600 -0.092 0.000 2.086 106 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 106 M C 1.903 178.160 176.300 -0.071 0.000 1.067 106 M CA 1.998 57.257 55.300 -0.068 0.000 1.116 106 M CB -0.227 32.335 32.600 -0.062 0.000 1.348 106 M HN 0.200 nan 8.290 nan 0.000 0.407 107 V N 1.070 120.931 119.914 -0.089 0.000 2.332 107 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 107 V C 2.417 178.468 176.094 -0.071 0.000 1.055 107 V CA 1.766 64.020 62.300 -0.077 0.000 1.038 107 V CB -0.984 30.787 31.823 -0.088 0.000 0.651 107 V HN 0.585 nan 8.190 nan 0.000 0.450 108 L N 0.983 122.154 121.223 -0.088 0.000 2.017 108 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 108 L C 2.455 179.287 176.870 -0.064 0.000 1.073 108 L CA 2.419 57.212 54.840 -0.079 0.000 0.745 108 L CB -0.980 41.022 42.059 -0.095 0.000 0.894 108 L HN 0.214 nan 8.230 nan 0.000 0.432 109 A N -0.450 122.333 122.820 -0.062 0.000 1.908 109 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 109 A C 2.464 180.023 177.584 -0.041 0.000 1.181 109 A CA 1.864 53.870 52.037 -0.052 0.000 0.627 109 A CB -0.629 18.343 19.000 -0.047 0.000 0.818 109 A HN 0.496 nan 8.150 nan 0.000 0.445 110 R N -0.622 119.855 120.500 -0.038 0.000 2.075 110 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 110 R C 1.941 178.227 176.300 -0.023 0.000 1.126 110 R CA 1.541 57.625 56.100 -0.027 0.000 0.963 110 R CB -0.653 29.630 30.300 -0.027 0.000 0.858 110 R HN 0.447 nan 8.270 nan 0.000 0.435 111 L N -0.102 121.103 121.223 -0.030 0.000 2.012 111 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 111 L C 1.905 178.761 176.870 -0.024 0.000 1.073 111 L CA 1.687 56.512 54.840 -0.025 0.000 0.748 111 L CB -0.535 41.504 42.059 -0.032 0.000 0.891 111 L HN 0.073 nan 8.230 nan 0.000 0.431 112 V N -0.979 118.914 119.914 -0.034 0.000 2.343 112 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 112 V C 2.769 178.848 176.094 -0.025 0.000 1.051 112 V CA 1.805 64.084 62.300 -0.036 0.000 1.036 112 V CB -0.880 30.909 31.823 -0.056 0.000 0.654 112 V HN 0.650 nan 8.190 nan 0.000 0.451 113 S N -0.356 115.330 115.700 -0.023 0.000 2.356 113 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 113 S C 1.940 176.540 174.600 -0.000 0.000 1.032 113 S CA 1.694 59.885 58.200 -0.015 0.000 1.005 113 S CB -0.334 62.858 63.200 -0.013 0.000 0.867 113 S HN 0.514 nan 8.310 nan 0.000 0.449 114 I N 1.645 122.217 120.570 0.004 0.000 2.226 114 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 114 I C 2.724 178.852 176.117 0.018 0.000 1.100 114 I CA 1.099 62.410 61.300 0.019 0.000 1.374 114 I CB -0.532 37.478 38.000 0.016 0.000 1.057 114 I HN 0.381 nan 8.210 nan 0.000 0.413 115 A N 0.055 122.879 122.820 0.006 0.000 2.131 115 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 115 A C 2.101 179.692 177.584 0.012 0.000 1.158 115 A CA 1.244 53.285 52.037 0.006 0.000 0.665 115 A CB -0.378 18.620 19.000 -0.003 0.000 0.795 115 A HN 0.420 nan 8.150 nan 0.000 0.460 116 Q N -1.193 118.615 119.800 0.012 0.000 2.364 116 Q HA 0.025 4.365 4.340 -0.000 0.000 0.207 116 Q C 1.315 177.330 176.000 0.025 0.000 0.970 116 Q CA 0.891 56.703 55.803 0.015 0.000 0.888 116 Q CB -0.655 28.089 28.738 0.009 0.000 0.951 116 Q HN 1.096 nan 8.270 nan 0.000 0.469 117 G N 0.172 108.993 108.800 0.035 0.000 2.212 117 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.255 117 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.255 117 G C 0.451 175.396 174.900 0.076 0.000 1.062 117 G CA 0.427 45.556 45.100 0.049 0.000 0.815 117 G HN 0.533 nan 8.290 nan 0.000 0.497 118 A N -1.069 121.805 122.820 0.090 0.000 2.635 118 A HA 0.749 5.069 4.320 -0.000 0.000 0.279 118 A C 1.639 179.338 177.584 0.192 0.000 1.122 118 A CA 1.398 53.510 52.037 0.125 0.000 0.965 118 A CB 0.298 19.326 19.000 0.046 0.000 1.221 118 A HN 0.715 nan 8.150 nan 0.000 0.566 119 S N -1.283 114.546 115.700 0.215 0.000 2.514 119 S HA 0.376 4.846 4.470 -0.000 0.000 0.223 119 S C 1.509 176.369 174.600 0.433 0.000 1.046 119 S CA 0.787 59.146 58.200 0.266 0.000 0.914 119 S CB 0.418 63.697 63.200 0.133 0.000 0.807 119 S HN 1.663 nan 8.310 nan 0.000 0.497 120 G N 1.752 110.710 108.800 0.263 0.000 2.141 120 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.242 120 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.242 120 G C 0.178 175.122 174.900 0.074 0.000 0.982 120 G CA -0.031 45.121 45.100 0.087 0.000 0.662 120 G HN 0.855 nan 8.290 nan 0.000 0.527 121 A N 0.506 123.376 122.820 0.084 0.000 2.511 121 A HA 0.625 4.945 4.320 -0.000 0.000 0.242 121 A C 1.162 178.755 177.584 0.014 0.000 1.069 121 A CA 0.992 53.058 52.037 0.048 0.000 0.763 121 A CB 0.204 19.229 19.000 0.042 0.000 1.001 121 A HN 2.021 nan 8.150 nan 0.000 0.498 122 S N 1.803 117.495 115.700 -0.012 0.000 2.585 122 S HA 0.154 4.624 4.470 -0.000 0.000 0.273 122 S C 0.750 175.335 174.600 -0.025 0.000 1.339 122 S CA 0.083 58.260 58.200 -0.039 0.000 1.028 122 S CB 0.786 63.935 63.200 -0.085 0.000 0.906 122 S HN 0.732 nan 8.310 nan 0.000 0.528 123 E N 2.081 122.266 120.200 -0.026 0.000 2.070 123 E HA -0.156 4.194 4.350 -0.000 0.000 0.197 123 E C 2.186 178.775 176.600 -0.018 0.000 1.004 123 E CA 1.336 57.725 56.400 -0.018 0.000 0.805 123 E CB -0.823 28.866 29.700 -0.018 0.000 0.744 123 E HN 0.920 nan 8.360 nan 0.000 0.451 124 G N 0.463 109.247 108.800 -0.026 0.000 2.446 124 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 124 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 124 G C 1.642 176.532 174.900 -0.017 0.000 1.168 124 G CA 1.423 46.510 45.100 -0.022 0.000 0.771 124 G HN 0.206 nan 8.290 nan 0.000 0.551 125 T N 1.207 115.749 114.554 -0.019 0.000 2.746 125 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 125 T C 2.392 177.088 174.700 -0.007 0.000 1.039 125 T CA 0.956 63.049 62.100 -0.013 0.000 1.142 125 T CB -0.152 68.708 68.868 -0.013 0.000 0.866 125 T HN 0.255 nan 8.240 nan 0.000 0.444 126 I N 1.269 121.834 120.570 -0.007 0.000 2.226 126 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 126 I C 2.901 179.014 176.117 -0.007 0.000 1.100 126 I CA 1.094 62.391 61.300 -0.005 0.000 1.374 126 I CB -0.473 37.525 38.000 -0.004 0.000 1.057 126 I HN 0.190 nan 8.210 nan 0.000 0.413 127 A N 0.807 123.623 122.820 -0.007 0.000 1.933 127 A HA -0.182 4.137 4.320 -0.000 0.000 0.218 127 A C 2.328 179.910 177.584 -0.003 0.000 1.175 127 A CA 1.299 53.333 52.037 -0.006 0.000 0.628 127 A CB -0.405 18.591 19.000 -0.007 0.000 0.814 127 A HN 0.264 nan 8.150 nan 0.000 0.444 128 R N -0.171 120.329 120.500 0.000 0.000 2.092 128 R HA -0.016 4.324 4.340 -0.000 0.000 0.231 128 R C 2.008 178.314 176.300 0.011 0.000 1.119 128 R CA 1.117 57.223 56.100 0.010 0.000 0.970 128 R CB -0.976 29.333 30.300 0.015 0.000 0.864 128 R HN 0.599 nan 8.270 nan 0.000 0.440 129 L N 0.189 121.412 121.223 0.000 0.000 2.056 129 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 129 L C 2.486 179.347 176.870 -0.014 0.000 1.078 129 L CA 1.153 55.988 54.840 -0.008 0.000 0.749 129 L CB -0.488 41.561 42.059 -0.015 0.000 0.901 129 L HN 0.059 nan 8.230 nan 0.000 0.433 130 I N -0.032 120.530 120.570 -0.013 0.000 2.226 130 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 130 I C 2.136 178.247 176.117 -0.011 0.000 1.100 130 I CA 1.195 62.486 61.300 -0.015 0.000 1.374 130 I CB -0.396 37.597 38.000 -0.012 0.000 1.057 130 I HN 0.253 nan 8.210 nan 0.000 0.413 131 D N 0.792 121.189 120.400 -0.004 0.000 2.123 131 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 131 D C 2.134 178.435 176.300 0.003 0.000 0.992 131 D CA 0.952 54.951 54.000 -0.001 0.000 0.833 131 D CB -0.360 40.440 40.800 -0.000 0.000 0.954 131 D HN 0.155 nan 8.370 nan 0.000 0.455 132 L N 0.776 122.007 121.223 0.013 0.000 2.012 132 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 132 L C 2.091 178.956 176.870 -0.008 0.000 1.073 132 L CA 1.439 56.295 54.840 0.028 0.000 0.748 132 L CB -0.901 41.188 42.059 0.050 0.000 0.891 132 L HN 0.098 nan 8.230 nan 0.000 0.431 133 L N 0.123 121.325 121.223 -0.034 0.000 2.141 133 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 133 L C 1.875 178.724 176.870 -0.035 0.000 1.094 133 L CA 0.846 55.647 54.840 -0.066 0.000 0.763 133 L CB -0.536 41.481 42.059 -0.070 0.000 0.908 133 L HN 0.355 nan 8.230 nan 0.000 0.437 134 N N -0.482 118.211 118.700 -0.012 0.000 2.398 134 N HA -0.011 4.729 4.740 -0.000 0.000 0.188 134 N C 0.790 176.314 175.510 0.024 0.000 1.122 134 N CA 0.329 53.382 53.050 0.005 0.000 0.866 134 N CB 0.153 38.641 38.487 0.001 0.000 0.970 134 N HN 0.336 nan 8.380 nan 0.000 0.462 135 S N 0.167 115.885 115.700 0.031 0.000 2.719 135 S HA 0.229 4.699 4.470 -0.000 0.000 0.285 135 S C 0.913 175.589 174.600 0.127 0.000 1.137 135 S CA -0.650 57.582 58.200 0.053 0.000 1.012 135 S CB 1.309 64.527 63.200 0.029 0.000 1.134 135 S HN 0.287 nan 8.310 nan 0.000 0.544 136 E N -0.324 119.972 120.200 0.160 0.000 2.463 136 E HA 0.295 4.645 4.350 -0.000 0.000 0.193 136 E C -0.020 176.871 176.600 0.484 0.000 1.041 136 E CA -0.255 56.321 56.400 0.294 0.000 0.879 136 E CB -0.289 29.493 29.700 0.137 0.000 0.997 136 E HN 0.521 nan 8.360 nan 0.000 0.478 137 L N 0.634 122.069 121.223 0.354 0.000 2.335 137 L HA 0.806 5.146 4.340 -0.000 0.000 0.268 137 L C -0.212 176.813 176.870 0.258 0.000 1.016 137 L CA -1.234 53.857 54.840 0.419 0.000 0.805 137 L CB 1.686 43.880 42.059 0.225 0.000 1.311 137 L HN 0.073 nan 8.230 nan 0.000 0.456 138 A N 0.841 123.828 122.820 0.278 0.000 2.549 138 A HA 0.794 5.114 4.320 -0.000 0.000 0.297 138 A C -2.806 174.847 177.584 0.114 0.000 1.061 138 A CA -1.371 50.670 52.037 0.007 0.000 0.690 138 A CB 1.852 20.674 19.000 -0.297 0.000 1.287 138 A HN 0.368 nan 8.150 nan 0.000 0.402 139 P HA 0.395 nan 4.420 nan 0.000 0.274 139 P C -0.375 176.818 177.300 -0.178 0.000 1.231 139 P CA 0.047 62.957 63.100 -0.317 0.000 0.790 139 P CB 1.343 32.859 31.700 -0.306 0.000 0.951 140 A N 3.097 125.794 122.820 -0.205 0.000 2.294 140 A HA 0.522 4.842 4.320 -0.000 0.000 0.316 140 A C 0.161 177.673 177.584 -0.120 0.000 1.359 140 A CA -0.520 51.458 52.037 -0.098 0.000 0.956 140 A CB -0.280 18.688 19.000 -0.053 0.000 1.155 140 A HN 0.439 nan 8.150 nan 0.000 0.544 141 V N 0.860 120.709 119.914 -0.107 0.000 2.680 141 V HA 0.784 4.904 4.120 -0.000 0.000 0.309 141 V C -2.819 173.172 176.094 -0.171 0.000 1.052 141 V CA -2.657 59.559 62.300 -0.140 0.000 0.908 141 V CB 1.881 33.658 31.823 -0.076 0.000 1.001 141 V HN 0.648 nan 8.190 nan 0.000 0.431 142 P HA 0.123 nan 4.420 nan 0.000 0.268 142 P C 0.792 178.011 177.300 -0.134 0.000 1.205 142 P CA 0.369 63.329 63.100 -0.233 0.000 0.771 142 P CB 1.388 32.874 31.700 -0.357 0.000 0.858 143 S N 2.803 118.456 115.700 -0.079 0.000 2.489 143 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 143 S C 0.830 175.414 174.600 -0.027 0.000 0.995 143 S CA 0.105 58.281 58.200 -0.040 0.000 0.934 143 S CB -0.115 63.073 63.200 -0.020 0.000 0.771 143 S HN 0.421 nan 8.310 nan 0.000 0.522 144 R N -0.403 120.078 120.500 -0.033 0.000 2.787 144 R HA 0.636 4.976 4.340 -0.000 0.000 0.271 144 R C 0.697 176.994 176.300 -0.005 0.000 0.993 144 R CA -0.141 55.951 56.100 -0.013 0.000 0.993 144 R CB 1.523 31.817 30.300 -0.010 0.000 1.155 144 R HN 0.293 nan 8.270 nan 0.000 0.486 145 G N 0.090 108.896 108.800 0.011 0.000 2.485 145 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.181 145 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.181 145 G C 0.010 174.926 174.900 0.028 0.000 0.999 145 G CA -0.005 45.110 45.100 0.025 0.000 0.721 145 G HN 0.613 nan 8.290 nan 0.000 0.486 146 T N 0.278 114.846 114.554 0.023 0.000 2.888 146 T HA 0.550 4.900 4.350 -0.000 0.000 0.284 146 T C 1.403 176.121 174.700 0.028 0.000 1.017 146 T CA 0.417 62.530 62.100 0.022 0.000 1.022 146 T CB 1.755 70.632 68.868 0.016 0.000 1.013 146 T HN 1.129 nan 8.240 nan 0.000 0.465 147 V N 1.122 121.055 119.914 0.032 0.000 3.647 147 V HA 0.606 4.726 4.120 -0.000 0.000 0.279 147 V C 1.181 177.306 176.094 0.051 0.000 1.314 147 V CA 0.337 62.663 62.300 0.043 0.000 1.125 147 V CB -1.338 30.512 31.823 0.045 0.000 0.907 147 V HN 1.399 nan 8.190 nan 0.000 0.434 153 L N -0.208 120.980 121.223 -0.057 0.000 1.990 153 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 153 L C 2.380 179.193 176.870 -0.096 0.000 1.072 153 L CA 1.789 56.567 54.840 -0.103 0.000 0.755 153 L CB -0.901 41.076 42.059 -0.136 0.000 0.889 153 L HN 0.127 nan 8.230 nan 0.000 0.432 154 T N 0.276 114.802 114.554 -0.048 0.000 2.595 154 T HA -0.108 4.242 4.350 -0.000 0.000 0.264 154 T C -0.405 174.350 174.700 0.093 0.000 1.058 154 T CA 1.795 63.900 62.100 0.009 0.000 1.166 154 T CB -1.427 67.473 68.868 0.053 0.000 0.863 154 T HN 0.332 nan 8.240 nan 0.000 0.415 155 P HA 0.004 nan 4.420 nan 0.000 0.218 155 P C 1.601 178.921 177.300 0.034 0.000 1.149 155 P CA 1.004 64.141 63.100 0.061 0.000 0.817 155 P CB -0.241 31.463 31.700 0.007 0.000 0.785 156 L N -0.731 120.484 121.223 -0.014 0.000 2.156 156 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 156 L C 2.773 179.597 176.870 -0.077 0.000 1.095 156 L CA 1.264 56.077 54.840 -0.045 0.000 0.770 156 L CB -0.973 41.053 42.059 -0.055 0.000 0.914 156 L HN -0.053 nan 8.230 nan 0.000 0.439 157 A N -0.957 121.793 122.820 -0.117 0.000 1.898 157 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 157 A C 2.114 179.575 177.584 -0.205 0.000 1.181 157 A CA 1.229 53.143 52.037 -0.205 0.000 0.620 157 A CB -0.693 18.122 19.000 -0.308 0.000 0.819 157 A HN 0.396 nan 8.150 nan 0.000 0.442 158 H N -1.115 117.894 119.070 -0.101 0.000 2.389 158 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 158 H C 2.082 177.339 175.328 -0.120 0.000 1.081 158 H CA 1.752 57.742 56.048 -0.096 0.000 1.345 158 H CB -0.263 29.446 29.762 -0.088 0.000 1.393 158 H HN 0.609 nan 8.280 nan 0.000 0.520 159 M N 0.591 120.185 119.600 -0.010 0.000 2.117 159 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 159 M C 2.028 178.275 176.300 -0.088 0.000 1.065 159 M CA 1.306 56.562 55.300 -0.075 0.000 1.114 159 M CB -0.087 32.474 32.600 -0.065 0.000 1.361 159 M HN -0.010 nan 8.290 nan 0.000 0.408 160 V N 1.207 121.073 119.914 -0.080 0.000 2.343 160 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 160 V C 2.435 178.491 176.094 -0.063 0.000 1.051 160 V CA 1.730 63.986 62.300 -0.073 0.000 1.036 160 V CB -0.720 31.046 31.823 -0.094 0.000 0.654 160 V HN 0.540 nan 8.190 nan 0.000 0.451 161 L N -0.874 120.305 121.223 -0.074 0.000 2.046 161 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 161 L C 2.672 179.513 176.870 -0.049 0.000 1.077 161 L CA 1.666 56.479 54.840 -0.044 0.000 0.747 161 L CB -0.734 41.298 42.059 -0.045 0.000 0.896 161 L HN 0.402 nan 8.230 nan 0.000 0.432 162 C N -0.085 119.141 119.300 -0.123 0.000 2.413 162 C HA -0.178 4.282 4.460 -0.000 0.000 0.276 162 C C 2.646 177.548 174.990 -0.147 0.000 1.236 162 C CA 0.559 59.401 59.018 -0.293 0.000 1.735 162 C CB -0.884 26.535 27.740 -0.536 0.000 2.031 162 C HN 0.440 nan 8.230 nan 0.000 0.474 163 L N 0.269 121.465 121.223 -0.044 0.000 2.456 163 L HA -0.137 4.202 4.340 -0.000 0.000 0.224 163 L C 2.386 179.328 176.870 0.119 0.000 1.148 163 L CA 1.131 56.042 54.840 0.117 0.000 0.825 163 L CB -0.643 41.450 42.059 0.057 0.000 0.937 163 L HN 0.533 nan 8.230 nan 0.000 0.450 164 Q N -0.303 119.540 119.800 0.072 0.000 2.360 164 Q HA 0.120 4.460 4.340 -0.000 0.000 0.202 164 Q C 1.328 177.385 176.000 0.095 0.000 0.915 164 Q CA 0.513 56.354 55.803 0.064 0.000 0.943 164 Q CB 0.622 29.380 28.738 0.033 0.000 1.064 164 Q HN 0.542 nan 8.270 nan 0.000 0.511 165 G N 1.668 110.561 108.800 0.155 0.000 2.132 165 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.234 165 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.234 165 G C 0.492 175.469 174.900 0.127 0.000 0.989 165 G CA 0.014 45.227 45.100 0.190 0.000 0.676 165 G HN 0.299 nan 8.290 nan 0.000 0.522 166 R N -0.044 120.505 120.500 0.083 0.000 2.546 166 R HA 0.465 4.805 4.340 -0.000 0.000 0.320 166 R C 0.997 177.315 176.300 0.030 0.000 1.021 166 R CA 0.480 56.612 56.100 0.054 0.000 1.088 166 R CB 0.936 31.264 30.300 0.047 0.000 1.278 166 R HN 0.508 nan 8.270 nan 0.000 0.557 167 G N -0.328 108.479 108.800 0.012 0.000 2.690 167 G HA2 0.255 4.215 3.960 -0.000 0.000 0.293 167 G HA3 0.255 4.215 3.960 -0.000 0.000 0.293 167 G C -1.413 173.443 174.900 -0.073 0.000 1.399 167 G CA -0.628 44.449 45.100 -0.040 0.000 0.890 167 G HN -0.129 nan 8.290 nan 0.000 0.485 168 D N -0.551 119.812 120.400 -0.060 0.000 2.360 168 D HA 0.552 5.192 4.640 -0.000 0.000 0.242 168 D C -0.506 175.705 176.300 -0.148 0.000 1.184 168 D CA 0.624 54.626 54.000 0.002 0.000 0.930 168 D CB 0.764 41.578 40.800 0.023 0.000 1.161 168 D HN 0.113 nan 8.370 nan 0.000 0.447 169 F N -0.640 119.334 119.950 0.040 0.000 2.593 169 F HA 0.505 5.032 4.527 -0.000 0.000 0.320 169 F C -0.266 175.580 175.800 0.077 0.000 1.060 169 F CA -0.923 57.111 58.000 0.055 0.000 0.940 169 F CB 1.265 40.298 39.000 0.056 0.000 1.268 169 F HN -0.074 nan 8.300 nan 0.000 0.475 170 L N 1.879 123.299 121.223 0.329 0.000 2.362 170 L HA 0.441 4.781 4.340 -0.000 0.000 0.271 170 L C -0.897 176.187 176.870 0.356 0.000 1.002 170 L CA -1.018 53.992 54.840 0.282 0.000 0.818 170 L CB 1.810 44.037 42.059 0.281 0.000 1.298 170 L HN 0.593 nan 8.230 nan 0.000 0.420 171 D N 1.763 122.270 120.400 0.178 0.000 2.437 171 D HA 0.130 4.770 4.640 -0.000 0.000 0.259 171 D C 0.830 176.966 176.300 -0.273 0.000 1.118 171 D CA -0.702 53.326 54.000 0.047 0.000 1.017 171 D CB 1.099 41.888 40.800 -0.019 0.000 1.120 171 D HN 0.421 nan 8.370 nan 0.000 0.541 172 R N -0.440 119.622 120.500 -0.730 0.000 2.170 172 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 172 R C 0.405 176.365 176.300 -0.566 0.000 1.145 172 R CA 1.538 56.878 56.100 -1.267 0.000 0.984 172 R CB -0.045 29.584 30.300 -1.118 0.000 0.869 172 R HN 0.459 nan 8.270 nan 0.000 0.455 173 D N -1.537 118.683 120.400 -0.300 0.000 2.340 173 D HA 0.073 4.713 4.640 -0.000 0.000 0.220 173 D C 1.010 177.266 176.300 -0.072 0.000 1.039 173 D CA 1.018 54.925 54.000 -0.154 0.000 0.866 173 D CB 0.770 41.504 40.800 -0.109 0.000 0.913 173 D HN 0.527 nan 8.370 nan 0.000 0.523 174 G N 0.936 109.710 108.800 -0.043 0.000 2.175 174 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 174 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 174 G C 0.545 175.465 174.900 0.033 0.000 0.982 174 G CA 0.175 45.293 45.100 0.029 0.000 0.641 174 G HN 0.279 nan 8.290 nan 0.000 0.527 175 T N 3.005 117.567 114.554 0.014 0.000 2.853 175 T HA 0.424 4.774 4.350 -0.000 0.000 0.298 175 T C 0.791 175.524 174.700 0.056 0.000 0.978 175 T CA -0.072 62.042 62.100 0.024 0.000 1.152 175 T CB 0.828 69.700 68.868 0.006 0.000 0.914 175 T HN 0.269 nan 8.240 nan 0.000 0.539 176 R N 2.955 123.489 120.500 0.055 0.000 2.441 176 R HA 0.477 4.817 4.340 -0.000 0.000 0.284 176 R C -0.367 175.982 176.300 0.082 0.000 1.070 176 R CA -0.331 55.815 56.100 0.075 0.000 1.047 176 R CB 0.682 31.015 30.300 0.054 0.000 1.016 176 R HN 0.568 nan 8.270 nan 0.000 0.477 177 L N 2.222 123.520 121.223 0.124 0.000 2.381 177 L HA 0.266 4.606 4.340 -0.000 0.000 0.268 177 L C 0.107 177.072 176.870 0.158 0.000 0.997 177 L CA -1.228 53.685 54.840 0.122 0.000 0.818 177 L CB 2.098 44.232 42.059 0.125 0.000 1.310 177 L HN 0.626 nan 8.230 nan 0.000 0.416 178 D N 1.238 121.709 120.400 0.118 0.000 2.371 178 D HA 0.078 4.718 4.640 -0.000 0.000 0.242 178 D C 1.206 177.628 176.300 0.204 0.000 1.218 178 D CA 0.022 54.098 54.000 0.127 0.000 0.945 178 D CB 0.927 41.774 40.800 0.079 0.000 1.137 178 D HN 0.566 nan 8.370 nan 0.000 0.464 179 G N -0.179 108.744 108.800 0.205 0.000 2.491 179 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 179 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 179 G C 1.519 176.540 174.900 0.202 0.000 1.180 179 G CA 1.945 47.222 45.100 0.294 0.000 0.774 179 G HN 0.710 nan 8.290 nan 0.000 0.562 180 A N 0.595 123.479 122.820 0.106 0.000 1.908 180 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 180 A C 2.228 179.817 177.584 0.007 0.000 1.181 180 A CA 2.334 54.401 52.037 0.050 0.000 0.627 180 A CB -0.451 18.571 19.000 0.037 0.000 0.818 180 A HN 0.404 nan 8.150 nan 0.000 0.445 181 E N 0.143 120.353 120.200 0.016 0.000 2.150 181 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 181 E C 1.956 178.500 176.600 -0.094 0.000 0.985 181 E CA 1.406 57.795 56.400 -0.019 0.000 0.814 181 E CB -0.832 28.873 29.700 0.009 0.000 0.752 181 E HN 0.402 nan 8.360 nan 0.000 0.466 182 G N 0.824 109.543 108.800 -0.135 0.000 2.421 182 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.216 182 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.216 182 G C 1.618 176.119 174.900 -0.665 0.000 1.171 182 G CA 0.890 45.660 45.100 -0.550 0.000 0.775 182 G HN 0.315 nan 8.290 nan 0.000 0.543 183 L N -0.235 120.731 121.223 -0.427 0.000 2.042 183 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 183 L C 3.218 179.983 176.870 -0.174 0.000 1.076 183 L CA 1.164 55.847 54.840 -0.261 0.000 0.749 183 L CB -0.370 41.637 42.059 -0.086 0.000 0.893 183 L HN 0.192 nan 8.230 nan 0.000 0.432 184 R N -0.297 120.125 120.500 -0.130 0.000 2.062 184 R HA -0.164 4.176 4.340 -0.000 0.000 0.231 184 R C 2.407 178.650 176.300 -0.095 0.000 1.136 184 R CA 1.236 57.284 56.100 -0.086 0.000 0.948 184 R CB -0.385 29.881 30.300 -0.056 0.000 0.845 184 R HN 0.115 nan 8.270 nan 0.000 0.430 185 R N 0.800 121.231 120.500 -0.115 0.000 2.103 185 R HA -0.103 4.237 4.340 -0.000 0.000 0.242 185 R C 1.841 178.081 176.300 -0.100 0.000 1.142 185 R CA 2.078 58.120 56.100 -0.097 0.000 0.960 185 R CB -0.916 29.325 30.300 -0.098 0.000 0.858 185 R HN 0.332 nan 8.270 nan 0.000 0.439 186 G N -0.837 107.867 108.800 -0.159 0.000 3.042 186 G HA2 0.020 3.980 3.960 -0.000 0.000 0.212 186 G HA3 0.020 3.980 3.960 -0.000 0.000 0.212 186 G C -0.457 174.390 174.900 -0.088 0.000 1.166 186 G CA -0.047 44.980 45.100 -0.121 0.000 0.767 186 G HN 0.369 nan 8.290 nan 0.000 0.546 187 R N -0.873 119.575 120.500 -0.086 0.000 3.205 187 R HA -0.137 4.203 4.340 -0.000 0.000 0.249 187 R C -0.687 175.580 176.300 -0.053 0.000 0.937 187 R CA 0.370 56.435 56.100 -0.058 0.000 0.641 187 R CB -2.253 28.025 30.300 -0.037 0.000 1.114 187 R HN 0.343 nan 8.270 nan 0.000 0.451 188 L N 0.558 121.738 121.223 -0.072 0.000 2.330 188 L HA 0.445 4.785 4.340 -0.000 0.000 0.271 188 L C 0.543 177.395 176.870 -0.029 0.000 1.013 188 L CA -1.186 53.625 54.840 -0.048 0.000 0.816 188 L CB 1.659 43.678 42.059 -0.065 0.000 1.287 188 L HN 0.010 nan 8.230 nan 0.000 0.435 189 Q N 2.252 122.047 119.800 -0.008 0.000 2.245 189 Q HA 0.420 4.759 4.340 -0.000 0.000 0.256 189 Q C -2.347 173.663 176.000 0.017 0.000 0.942 189 Q CA -1.967 53.836 55.803 -0.000 0.000 0.896 189 Q CB 1.578 30.315 28.738 -0.002 0.000 1.272 189 Q HN 0.299 nan 8.270 nan 0.000 0.442 190 P HA 0.006 nan 4.420 nan 0.000 0.268 190 P C -0.273 177.043 177.300 0.026 0.000 1.205 190 P CA -0.524 62.598 63.100 0.037 0.000 0.771 190 P CB 0.673 32.392 31.700 0.032 0.000 0.858 191 L N 2.860 124.103 121.223 0.032 0.000 2.455 191 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 191 L C 0.114 176.985 176.870 0.001 0.000 1.174 191 L CA 0.738 55.587 54.840 0.014 0.000 0.869 191 L CB -0.494 41.573 42.059 0.012 0.000 1.130 191 L HN 0.311 nan 8.230 nan 0.000 0.474 192 D N 4.776 125.170 120.400 -0.010 0.000 2.438 192 D HA 0.258 4.898 4.640 -0.000 0.000 0.257 192 D C -0.798 175.484 176.300 -0.030 0.000 1.148 192 D CA -0.275 53.715 54.000 -0.018 0.000 0.902 192 D CB 0.245 41.033 40.800 -0.020 0.000 1.062 192 D HN 0.463 nan 8.370 nan 0.000 0.518 193 L N 2.113 123.318 121.223 -0.029 0.000 2.410 193 L HA 0.294 4.634 4.340 -0.000 0.000 0.273 193 L C 0.683 177.530 176.870 -0.039 0.000 1.152 193 L CA -0.088 54.733 54.840 -0.032 0.000 0.855 193 L CB 1.029 43.071 42.059 -0.028 0.000 1.129 193 L HN 0.283 nan 8.230 nan 0.000 0.463 194 S N 1.603 117.267 115.700 -0.059 0.000 2.568 194 S HA 0.485 4.955 4.470 -0.000 0.000 0.293 194 S C 0.070 174.662 174.600 -0.013 0.000 1.089 194 S CA -0.375 57.757 58.200 -0.114 0.000 0.945 194 S CB 0.749 63.771 63.200 -0.296 0.000 1.077 194 S HN 0.940 nan 8.310 nan 0.000 0.485 195 H N 1.627 120.698 119.070 0.002 0.000 1.452 195 H HA -0.287 4.269 4.556 -0.000 0.000 0.090 195 H C 0.997 176.346 175.328 0.036 0.000 1.026 195 H CA 1.703 57.756 56.048 0.009 0.000 1.901 195 H CB -0.633 29.121 29.762 -0.013 0.000 2.257 195 H HN 0.777 nan 8.280 nan 0.000 0.961 196 R N 1.971 122.599 120.500 0.214 0.000 2.515 196 R HA 0.084 4.424 4.340 -0.000 0.000 0.294 196 R C 0.074 176.452 176.300 0.131 0.000 1.021 196 R CA 0.508 56.712 56.100 0.173 0.000 1.081 196 R CB 0.380 30.818 30.300 0.230 0.000 1.263 196 R HN 0.303 nan 8.270 nan 0.000 0.557 197 D N 2.312 122.766 120.400 0.090 0.000 2.158 197 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 197 D C 1.903 178.218 176.300 0.025 0.000 0.995 197 D CA 1.903 55.933 54.000 0.049 0.000 0.846 197 D CB -0.120 40.688 40.800 0.013 0.000 0.941 197 D HN 0.459 nan 8.370 nan 0.000 0.456 198 A N 0.777 123.604 122.820 0.012 0.000 1.859 198 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 198 A C 2.228 179.788 177.584 -0.041 0.000 1.198 198 A CA 1.422 53.437 52.037 -0.037 0.000 0.629 198 A CB -0.976 17.992 19.000 -0.053 0.000 0.830 198 A HN 0.247 nan 8.150 nan 0.000 0.446 199 L N -0.471 120.760 121.223 0.014 0.000 2.046 199 L HA -0.086 4.253 4.340 -0.000 0.000 0.208 199 L C 2.827 179.722 176.870 0.042 0.000 1.077 199 L CA 2.113 56.971 54.840 0.031 0.000 0.747 199 L CB -0.752 41.396 42.059 0.149 0.000 0.896 199 L HN 0.401 nan 8.230 nan 0.000 0.432 200 A N -0.658 122.204 122.820 0.070 0.000 1.883 200 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 200 A C 2.232 179.831 177.584 0.026 0.000 1.186 200 A CA 2.116 54.192 52.037 0.066 0.000 0.624 200 A CB -0.991 18.062 19.000 0.090 0.000 0.822 200 A HN 0.469 nan 8.150 nan 0.000 0.444 201 L N -0.907 120.318 121.223 0.003 0.000 2.362 201 L HA -0.079 4.261 4.340 -0.000 0.000 0.219 201 L C 1.933 178.779 176.870 -0.039 0.000 1.134 201 L CA 0.490 55.318 54.840 -0.019 0.000 0.807 201 L CB -0.059 41.981 42.059 -0.032 0.000 0.927 201 L HN 0.273 nan 8.230 nan 0.000 0.447 202 V N -1.746 118.138 119.914 -0.050 0.000 3.570 202 V HA 0.065 4.184 4.120 -0.000 0.000 0.257 202 V C 0.808 176.867 176.094 -0.058 0.000 1.272 202 V CA 0.311 62.564 62.300 -0.079 0.000 1.079 202 V CB 0.182 31.914 31.823 -0.151 0.000 0.829 202 V HN 0.303 nan 8.190 nan 0.000 0.454 203 N N 1.396 120.085 118.700 -0.018 0.000 3.250 203 N HA 0.378 5.118 4.740 -0.000 0.000 0.307 203 N C 0.044 175.607 175.510 0.087 0.000 1.355 203 N CA 0.427 53.483 53.050 0.011 0.000 1.192 203 N CB 0.143 38.659 38.487 0.048 0.000 1.478 203 N HN 0.471 nan 8.380 nan 0.000 0.543 204 G N -1.773 107.065 108.800 0.064 0.000 2.827 204 G HA2 0.286 4.246 3.960 -0.000 0.000 0.296 204 G HA3 0.286 4.246 3.960 -0.000 0.000 0.296 204 G C -0.088 174.853 174.900 0.069 0.000 1.362 204 G CA -0.506 44.645 45.100 0.085 0.000 0.809 204 G HN 0.167 nan 8.290 nan 0.000 0.522 205 T N -2.118 112.465 114.554 0.049 0.000 3.258 205 T HA 0.280 4.630 4.350 -0.000 0.000 0.263 205 T C 1.496 176.200 174.700 0.006 0.000 0.983 205 T CA 0.558 62.678 62.100 0.033 0.000 0.907 205 T CB 0.372 69.255 68.868 0.026 0.000 1.096 205 T HN 0.209 nan 8.240 nan 0.000 0.556 206 S N 1.365 117.065 115.700 -0.001 0.000 2.399 206 S HA 0.029 4.499 4.470 -0.000 0.000 0.231 206 S C 2.426 177.015 174.600 -0.018 0.000 1.022 206 S CA 0.997 59.188 58.200 -0.016 0.000 0.983 206 S CB -0.435 62.752 63.200 -0.022 0.000 0.803 206 S HN 0.822 nan 8.310 nan 0.000 0.480 207 A N 2.597 125.410 122.820 -0.011 0.000 1.854 207 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 207 A C 2.238 179.822 177.584 -0.000 0.000 1.192 207 A CA 1.578 53.609 52.037 -0.010 0.000 0.611 207 A CB -0.733 18.264 19.000 -0.006 0.000 0.832 207 A HN 0.650 nan 8.150 nan 0.000 0.442 208 M N -1.540 118.065 119.600 0.008 0.000 2.159 208 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 208 M C 1.804 178.109 176.300 0.009 0.000 1.063 208 M CA 2.262 57.571 55.300 0.016 0.000 1.110 208 M CB -1.278 31.334 32.600 0.021 0.000 1.374 208 M HN 0.142 nan 8.290 nan 0.000 0.411 209 T N 1.236 115.785 114.554 -0.008 0.000 2.777 209 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 209 T C 1.981 176.675 174.700 -0.009 0.000 1.040 209 T CA 1.714 63.801 62.100 -0.023 0.000 1.141 209 T CB -0.796 68.049 68.868 -0.037 0.000 0.868 209 T HN 0.718 nan 8.240 nan 0.000 0.444 210 G N 1.322 110.115 108.800 -0.012 0.000 2.418 210 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 210 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 210 G C 1.529 176.440 174.900 0.017 0.000 1.158 210 G CA 0.559 45.651 45.100 -0.013 0.000 0.771 210 G HN 0.491 nan 8.290 nan 0.000 0.545 211 I N 1.395 121.981 120.570 0.027 0.000 2.226 211 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 211 I C 3.278 179.448 176.117 0.088 0.000 1.100 211 I CA 1.024 62.356 61.300 0.053 0.000 1.374 211 I CB -0.214 37.815 38.000 0.048 0.000 1.057 211 I HN 0.239 nan 8.210 nan 0.000 0.413 212 A N 1.305 124.181 122.820 0.092 0.000 1.933 212 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 212 A C 2.257 179.955 177.584 0.191 0.000 1.175 212 A CA 1.782 53.917 52.037 0.164 0.000 0.628 212 A CB -0.823 18.239 19.000 0.102 0.000 0.814 212 A HN 0.521 nan 8.150 nan 0.000 0.444 213 L N -2.080 119.214 121.223 0.117 0.000 2.141 213 L HA 0.017 4.357 4.340 -0.000 0.000 0.209 213 L C 1.952 178.936 176.870 0.191 0.000 1.094 213 L CA 1.529 56.448 54.840 0.132 0.000 0.763 213 L CB -0.997 41.105 42.059 0.071 0.000 0.908 213 L HN 0.002 nan 8.230 nan 0.000 0.437 214 V N 0.850 120.873 119.914 0.182 0.000 2.453 214 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 214 V C 2.428 178.646 176.094 0.207 0.000 1.048 214 V CA 1.658 64.103 62.300 0.242 0.000 1.049 214 V CB -0.930 30.999 31.823 0.176 0.000 0.672 214 V HN 0.503 nan 8.190 nan 0.000 0.457 215 N N 0.931 119.727 118.700 0.160 0.000 2.120 215 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 215 N C 1.916 177.477 175.510 0.086 0.000 1.024 215 N CA 1.683 54.803 53.050 0.116 0.000 0.852 215 N CB -0.559 37.978 38.487 0.085 0.000 1.003 215 N HN 0.475 nan 8.380 nan 0.000 0.424 216 A N 0.317 123.215 122.820 0.130 0.000 1.908 216 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 216 A C 2.123 179.734 177.584 0.045 0.000 1.181 216 A CA 1.893 53.990 52.037 0.100 0.000 0.627 216 A CB -0.950 18.173 19.000 0.205 0.000 0.818 216 A HN 0.460 nan 8.150 nan 0.000 0.445 217 H N -0.354 118.691 119.070 -0.041 0.000 2.357 217 H HA 0.095 4.651 4.556 -0.000 0.000 0.301 217 H C 2.198 177.459 175.328 -0.113 0.000 1.082 217 H CA 1.818 57.757 56.048 -0.182 0.000 1.342 217 H CB -0.195 29.309 29.762 -0.429 0.000 1.389 217 H HN 0.399 nan 8.280 nan 0.000 0.511 218 A N -0.376 122.484 122.820 0.067 0.000 1.902 218 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 218 A C 2.684 180.270 177.584 0.004 0.000 1.181 218 A CA 1.403 53.483 52.037 0.072 0.000 0.623 218 A CB -1.196 17.874 19.000 0.118 0.000 0.818 218 A HN 0.641 nan 8.150 nan 0.000 0.443 219 C N -1.202 118.117 119.300 0.031 0.000 2.422 219 C HA -0.056 4.404 4.460 -0.000 0.000 0.279 219 C C 2.798 177.783 174.990 -0.007 0.000 1.305 219 C CA 1.205 60.285 59.018 0.103 0.000 1.757 219 C CB -1.335 26.488 27.740 0.138 0.000 1.962 219 C HN 0.732 nan 8.230 nan 0.000 0.499 220 R N -0.165 120.232 120.500 -0.171 0.000 2.073 220 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 220 R C 2.254 178.359 176.300 -0.324 0.000 1.134 220 R CA 1.570 57.485 56.100 -0.308 0.000 0.952 220 R CB -0.429 29.591 30.300 -0.467 0.000 0.850 220 R HN 0.606 nan 8.270 nan 0.000 0.433 221 H N 0.543 119.483 119.070 -0.216 0.000 2.326 221 H HA -0.083 4.473 4.556 -0.000 0.000 0.301 221 H C 2.181 177.496 175.328 -0.022 0.000 1.081 221 H CA 1.657 57.624 56.048 -0.135 0.000 1.334 221 H CB -0.199 29.488 29.762 -0.126 0.000 1.385 221 H HN 0.244 nan 8.280 nan 0.000 0.504 222 L N -0.203 120.996 121.223 -0.041 0.000 2.131 222 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 222 L C 2.739 179.460 176.870 -0.249 0.000 1.092 222 L CA 1.011 55.643 54.840 -0.347 0.000 0.759 222 L CB -0.742 40.709 42.059 -1.014 0.000 0.903 222 L HN 0.293 nan 8.230 nan 0.000 0.435 223 G N -0.093 108.696 108.800 -0.019 0.000 2.422 223 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 223 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 223 G C 1.399 176.384 174.900 0.142 0.000 1.146 223 G CA 0.465 45.725 45.100 0.267 0.000 0.769 223 G HN 0.310 nan 8.290 nan 0.000 0.547 224 N N 0.006 118.686 118.700 -0.034 0.000 2.244 224 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 224 N C 1.804 177.237 175.510 -0.129 0.000 1.016 224 N CA 0.772 53.748 53.050 -0.123 0.000 0.866 224 N CB -0.288 38.066 38.487 -0.222 0.000 0.980 224 N HN 0.582 nan 8.380 nan 0.000 0.430 225 W N 1.475 122.730 121.300 -0.076 0.000 2.436 225 W HA 0.120 4.780 4.660 -0.000 0.000 0.284 225 W C 2.446 178.941 176.519 -0.039 0.000 1.225 225 W CA 0.903 58.199 57.345 -0.081 0.000 1.271 225 W CB -0.310 29.057 29.460 -0.155 0.000 1.114 225 W HN 0.013 nan 8.180 nan 0.000 0.559 226 A N -0.191 122.758 122.820 0.215 0.000 1.933 226 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 226 A C 1.978 179.653 177.584 0.152 0.000 1.175 226 A CA 2.045 54.220 52.037 0.231 0.000 0.628 226 A CB -1.029 18.201 19.000 0.385 0.000 0.814 226 A HN 0.094 nan 8.150 nan 0.000 0.444 227 V N -0.373 119.616 119.914 0.125 0.000 2.323 227 V HA -0.177 3.943 4.120 -0.000 0.000 0.244 227 V C 3.059 179.140 176.094 -0.021 0.000 1.041 227 V CA 1.794 64.109 62.300 0.026 0.000 1.025 227 V CB -1.131 30.713 31.823 0.035 0.000 0.656 227 V HN 0.602 nan 8.190 nan 0.000 0.451 228 A N -0.227 122.575 122.820 -0.030 0.000 1.902 228 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 228 A C 2.183 179.790 177.584 0.038 0.000 1.181 228 A CA 1.791 53.798 52.037 -0.050 0.000 0.623 228 A CB -0.501 18.386 19.000 -0.188 0.000 0.818 228 A HN 0.515 nan 8.150 nan 0.000 0.443 229 L N -1.221 120.065 121.223 0.106 0.000 2.131 229 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 229 L C 2.678 179.611 176.870 0.104 0.000 1.087 229 L CA 1.481 56.397 54.840 0.127 0.000 0.767 229 L CB -0.865 41.289 42.059 0.159 0.000 0.917 229 L HN 0.301 nan 8.230 nan 0.000 0.441 230 T N 0.194 114.801 114.554 0.089 0.000 2.746 230 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 230 T C 2.048 176.847 174.700 0.166 0.000 1.039 230 T CA 1.342 63.503 62.100 0.102 0.000 1.142 230 T CB -0.131 68.748 68.868 0.019 0.000 0.866 230 T HN 0.430 nan 8.240 nan 0.000 0.444 231 A N 1.215 124.095 122.820 0.100 0.000 1.902 231 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 231 A C 2.198 179.894 177.584 0.187 0.000 1.181 231 A CA 1.180 53.332 52.037 0.192 0.000 0.623 231 A CB -0.772 18.277 19.000 0.082 0.000 0.818 231 A HN 0.400 nan 8.150 nan 0.000 0.443 232 L N -0.790 120.504 121.223 0.118 0.000 2.141 232 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 232 L C 2.178 179.102 176.870 0.091 0.000 1.094 232 L CA 1.670 56.566 54.840 0.092 0.000 0.763 232 L CB -0.631 41.474 42.059 0.076 0.000 0.908 232 L HN 0.383 nan 8.230 nan 0.000 0.437 233 L N -0.225 121.063 121.223 0.108 0.000 2.083 233 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 233 L C 2.460 179.387 176.870 0.094 0.000 1.083 233 L CA 1.995 56.890 54.840 0.091 0.000 0.752 233 L CB -0.933 41.189 42.059 0.105 0.000 0.899 233 L HN 0.241 nan 8.230 nan 0.000 0.433 234 A N -0.875 122.034 122.820 0.148 0.000 1.972 234 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 234 A C 2.137 179.741 177.584 0.035 0.000 1.169 234 A CA 1.714 53.804 52.037 0.088 0.000 0.635 234 A CB -0.557 18.521 19.000 0.130 0.000 0.810 234 A HN 0.635 nan 8.150 nan 0.000 0.446 235 E N -1.095 119.140 120.200 0.059 0.000 2.274 235 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 235 E C 1.640 178.250 176.600 0.018 0.000 0.996 235 E CA 0.941 57.360 56.400 0.031 0.000 0.840 235 E CB -0.213 29.513 29.700 0.043 0.000 0.772 235 E HN 0.679 nan 8.360 nan 0.000 0.491 236 C N 0.104 119.418 119.300 0.024 0.000 2.563 236 C HA 0.152 4.612 4.460 -0.000 0.000 0.268 236 C C 1.795 176.788 174.990 0.004 0.000 1.365 236 C CA 0.067 59.092 59.018 0.013 0.000 1.754 236 C CB -0.258 27.490 27.740 0.013 0.000 1.932 236 C HN 0.319 nan 8.230 nan 0.000 0.536 237 L N -0.284 120.941 121.223 0.004 0.000 3.122 237 L HA 0.285 4.625 4.340 -0.000 0.000 0.274 237 L C 0.431 177.290 176.870 -0.019 0.000 1.222 237 L CA -0.060 54.777 54.840 -0.005 0.000 1.028 237 L CB -0.245 41.816 42.059 0.002 0.000 1.386 237 L HN 0.210 nan 8.230 nan 0.000 0.578 238 R N 0.770 121.254 120.500 -0.026 0.000 3.333 238 R HA -0.148 4.192 4.340 -0.000 0.000 0.256 238 R C 0.672 176.928 176.300 -0.073 0.000 1.010 238 R CA 0.424 56.497 56.100 -0.045 0.000 0.680 238 R CB -1.857 28.423 30.300 -0.034 0.000 1.102 238 R HN 0.499 nan 8.270 nan 0.000 0.440 239 G N 0.594 109.337 108.800 -0.094 0.000 2.544 239 G HA2 0.209 4.169 3.960 -0.000 0.000 0.242 239 G HA3 0.209 4.169 3.960 -0.000 0.000 0.242 239 G C 0.017 174.761 174.900 -0.260 0.000 1.247 239 G CA -0.570 44.431 45.100 -0.164 0.000 0.840 239 G HN 0.231 nan 8.290 nan 0.000 0.578 240 R N 0.471 120.789 120.500 -0.304 0.000 2.221 240 R HA 0.235 4.575 4.340 -0.000 0.000 0.327 240 R C 1.534 177.511 176.300 -0.538 0.000 1.033 240 R CA 0.201 56.111 56.100 -0.317 0.000 0.887 240 R CB 0.892 31.071 30.300 -0.202 0.000 1.057 240 R HN 0.698 nan 8.270 nan 0.000 0.455 241 T N -1.225 113.061 114.554 -0.448 0.000 3.085 241 T HA -0.123 4.226 4.350 -0.000 0.000 0.263 241 T C 1.425 175.971 174.700 -0.255 0.000 1.127 241 T CA 0.813 62.633 62.100 -0.465 0.000 1.103 241 T CB -0.033 68.715 68.868 -0.200 0.000 0.921 241 T HN 0.742 nan 8.240 nan 0.000 0.510 242 E N 1.871 121.961 120.200 -0.184 0.000 2.204 242 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 242 E C 2.248 178.815 176.600 -0.055 0.000 0.990 242 E CA 0.966 57.318 56.400 -0.079 0.000 0.821 242 E CB -0.595 29.075 29.700 -0.050 0.000 0.750 242 E HN 0.602 nan 8.360 nan 0.000 0.477 243 A N 0.761 123.498 122.820 -0.138 0.000 2.121 243 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 243 A C 1.045 178.755 177.584 0.211 0.000 1.154 243 A CA 0.780 52.801 52.037 -0.026 0.000 0.679 243 A CB -0.638 18.308 19.000 -0.090 0.000 0.795 243 A HN 0.508 nan 8.150 nan 0.000 0.458 244 W N -0.414 120.886 121.300 -0.001 0.000 3.239 244 W HA 0.594 5.253 4.660 -0.000 0.000 0.348 244 W C 0.872 177.393 176.519 0.004 0.000 1.183 244 W CA -1.073 56.273 57.345 0.002 0.000 1.819 244 W CB -1.315 28.148 29.460 0.005 0.000 1.091 244 W HN 0.343 nan 8.180 nan 0.000 0.629 245 A N 0.934 123.864 122.820 0.183 0.000 2.531 245 A HA 0.383 4.703 4.320 -0.000 0.000 0.236 245 A C 1.715 179.354 177.584 0.093 0.000 1.062 245 A CA 0.789 52.891 52.037 0.110 0.000 0.760 245 A CB 0.513 19.550 19.000 0.063 0.000 0.995 245 A HN 0.265 nan 8.150 nan 0.000 0.501 246 A N 2.543 125.406 122.820 0.072 0.000 1.972 246 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 246 A C 2.368 179.976 177.584 0.040 0.000 1.169 246 A CA 2.249 54.318 52.037 0.053 0.000 0.635 246 A CB -0.931 18.094 19.000 0.041 0.000 0.810 246 A HN 1.767 nan 8.150 nan 0.000 0.446 247 A N -0.161 122.680 122.820 0.036 0.000 1.940 247 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 247 A C 2.144 179.742 177.584 0.024 0.000 1.176 247 A CA 1.555 53.607 52.037 0.025 0.000 0.631 247 A CB -0.575 18.438 19.000 0.022 0.000 0.814 247 A HN 0.495 nan 8.150 nan 0.000 0.446 248 L N -0.458 120.785 121.223 0.034 0.000 2.083 248 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 248 L C 2.847 179.734 176.870 0.027 0.000 1.083 248 L CA 1.434 56.294 54.840 0.032 0.000 0.752 248 L CB -0.399 41.689 42.059 0.048 0.000 0.899 248 L HN 0.354 nan 8.230 nan 0.000 0.433 249 S N -0.403 115.317 115.700 0.034 0.000 2.368 249 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 249 S C 1.513 176.118 174.600 0.009 0.000 1.030 249 S CA 1.280 59.497 58.200 0.028 0.000 0.999 249 S CB -0.298 62.923 63.200 0.035 0.000 0.844 249 S HN 0.443 nan 8.310 nan 0.000 0.459 250 D N 1.509 121.914 120.400 0.008 0.000 2.182 250 D HA -0.045 4.595 4.640 -0.000 0.000 0.201 250 D C 1.734 178.024 176.300 -0.017 0.000 0.986 250 D CA 0.769 54.767 54.000 -0.004 0.000 0.847 250 D CB -0.267 40.534 40.800 0.002 0.000 0.942 250 D HN 0.334 nan 8.370 nan 0.000 0.467 251 L N -0.575 120.640 121.223 -0.012 0.000 2.313 251 L HA 0.015 4.355 4.340 -0.000 0.000 0.214 251 L C 1.571 178.417 176.870 -0.040 0.000 1.119 251 L CA 0.501 55.329 54.840 -0.021 0.000 0.809 251 L CB 0.151 42.203 42.059 -0.010 0.000 0.933 251 L HN -0.181 nan 8.230 nan 0.000 0.449 252 R N 0.721 121.195 120.500 -0.044 0.000 2.644 252 R HA 0.188 4.528 4.340 -0.000 0.000 0.271 252 R C -2.176 174.056 176.300 -0.114 0.000 1.687 252 R CA -1.345 54.703 56.100 -0.086 0.000 1.655 252 R CB 0.858 31.147 30.300 -0.019 0.000 1.285 252 R HN -0.148 nan 8.270 nan 0.000 0.643 253 P HA -0.093 nan 4.420 nan 0.000 0.297 253 P C -0.688 176.549 177.300 -0.106 0.000 1.544 253 P CA 0.248 63.287 63.100 -0.101 0.000 0.798 253 P CB -0.320 31.331 31.700 -0.082 0.000 1.757 254 H N 0.925 119.994 119.070 -0.000 0.000 2.848 254 H HA 0.080 4.636 4.556 -0.000 0.000 0.317 254 H C -1.271 174.068 175.328 0.018 0.000 1.046 254 H CA -1.456 54.593 56.048 0.003 0.000 1.470 254 H CB 0.446 30.204 29.762 -0.007 0.000 1.483 254 H HN 0.091 nan 8.280 nan 0.000 0.548 255 P HA -0.167 nan 4.420 nan 0.000 0.216 255 P C 1.638 179.011 177.300 0.123 0.000 1.157 255 P CA 1.762 64.924 63.100 0.104 0.000 0.880 255 P CB 0.108 31.863 31.700 0.092 0.000 0.791 256 G N -0.514 108.375 108.800 0.148 0.000 2.422 256 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 256 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 256 G C 1.667 176.658 174.900 0.153 0.000 1.146 256 G CA 0.716 45.932 45.100 0.193 0.000 0.769 256 G HN 0.330 nan 8.290 nan 0.000 0.547 257 Q N 0.101 119.959 119.800 0.096 0.000 2.049 257 Q HA -0.049 4.291 4.340 -0.000 0.000 0.198 257 Q C 2.470 178.503 176.000 0.053 0.000 0.971 257 Q CA 1.481 57.313 55.803 0.048 0.000 0.833 257 Q CB -0.207 28.577 28.738 0.076 0.000 0.896 257 Q HN 0.495 nan 8.270 nan 0.000 0.434 258 K N 0.166 120.608 120.400 0.069 0.000 2.063 258 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 258 K C 1.658 178.288 176.600 0.050 0.000 1.048 258 K CA 1.917 58.235 56.287 0.051 0.000 0.928 258 K CB -0.171 32.357 32.500 0.046 0.000 0.713 258 K HN 0.206 nan 8.250 nan 0.000 0.442 259 D N -0.178 120.268 120.400 0.076 0.000 2.097 259 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 259 D C 1.718 178.074 176.300 0.094 0.000 0.984 259 D CA 1.495 55.541 54.000 0.076 0.000 0.826 259 D CB -0.061 40.793 40.800 0.090 0.000 0.973 259 D HN 0.321 nan 8.370 nan 0.000 0.460 260 A N 0.612 123.526 122.820 0.156 0.000 1.877 260 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 260 A C 2.405 179.947 177.584 -0.071 0.000 1.186 260 A CA 2.428 54.534 52.037 0.114 0.000 0.620 260 A CB -1.213 17.777 19.000 -0.016 0.000 0.822 260 A HN 0.328 nan 8.150 nan 0.000 0.443 261 A N -0.213 122.561 122.820 -0.076 0.000 1.902 261 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 261 A C 2.519 180.077 177.584 -0.045 0.000 1.181 261 A CA 2.234 54.210 52.037 -0.101 0.000 0.623 261 A CB -1.058 17.943 19.000 0.002 0.000 0.818 261 A HN 1.106 nan 8.150 nan 0.000 0.443 262 A N -0.310 122.506 122.820 -0.006 0.000 1.902 262 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 262 A C 2.237 179.814 177.584 -0.012 0.000 1.181 262 A CA 1.624 53.665 52.037 0.008 0.000 0.623 262 A CB -0.423 18.584 19.000 0.012 0.000 0.818 262 A HN 0.548 nan 8.150 nan 0.000 0.443 263 R N -0.713 119.768 120.500 -0.033 0.000 2.115 263 R HA 0.074 4.414 4.340 -0.000 0.000 0.230 263 R C 1.991 178.240 176.300 -0.085 0.000 1.111 263 R CA 1.093 57.163 56.100 -0.049 0.000 0.976 263 R CB -0.385 29.892 30.300 -0.038 0.000 0.870 263 R HN 0.497 nan 8.270 nan 0.000 0.445 264 L N 0.122 121.242 121.223 -0.172 0.000 2.056 264 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 264 L C 2.508 179.360 176.870 -0.030 0.000 1.078 264 L CA 1.365 56.014 54.840 -0.318 0.000 0.749 264 L CB -0.289 41.209 42.059 -0.935 0.000 0.901 264 L HN 0.140 nan 8.230 nan 0.000 0.433 265 R N -0.159 120.384 120.500 0.070 0.000 2.081 265 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 265 R C 2.379 178.738 176.300 0.098 0.000 1.131 265 R CA 1.373 57.576 56.100 0.171 0.000 0.960 265 R CB -0.521 29.861 30.300 0.136 0.000 0.856 265 R HN 0.353 nan 8.270 nan 0.000 0.436 266 A N 1.277 124.121 122.820 0.041 0.000 1.933 266 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 266 A C 2.039 179.634 177.584 0.019 0.000 1.175 266 A CA 1.066 53.115 52.037 0.021 0.000 0.628 266 A CB -0.248 18.749 19.000 -0.004 0.000 0.814 266 A HN 0.102 nan 8.150 nan 0.000 0.444 267 R N -0.202 120.306 120.500 0.014 0.000 2.096 267 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 267 R C 1.892 178.223 176.300 0.052 0.000 1.127 267 R CA 1.723 57.831 56.100 0.013 0.000 0.968 267 R CB -1.231 29.065 30.300 -0.006 0.000 0.861 267 R HN 0.662 nan 8.270 nan 0.000 0.440 268 V N -0.946 119.030 119.914 0.103 0.000 3.596 268 V HA 0.117 4.237 4.120 -0.000 0.000 0.289 268 V C 0.253 176.388 176.094 0.068 0.000 1.336 268 V CA -0.620 61.745 62.300 0.108 0.000 1.137 268 V CB -0.432 31.499 31.823 0.180 0.000 0.966 268 V HN -0.114 nan 8.190 nan 0.000 0.428 269 D N 1.718 122.151 120.400 0.054 0.000 2.493 269 D HA 0.393 5.033 4.640 -0.000 0.000 0.240 269 D C 1.466 177.779 176.300 0.022 0.000 1.142 269 D CA 1.909 55.930 54.000 0.035 0.000 0.872 269 D CB 0.598 41.414 40.800 0.027 0.000 1.173 269 D HN 0.583 nan 8.370 nan 0.000 0.467 270 G N 2.397 111.205 108.800 0.015 0.000 2.176 270 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 270 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 270 G C 0.486 175.390 174.900 0.007 0.000 0.979 270 G CA 0.427 45.532 45.100 0.009 0.000 0.641 270 G HN 0.790 nan 8.290 nan 0.000 0.530 271 S N 0.023 115.729 115.700 0.009 0.000 2.580 271 S HA 0.670 5.140 4.470 -0.000 0.000 0.274 271 S C 1.251 175.844 174.600 -0.011 0.000 1.329 271 S CA 0.797 59.001 58.200 0.006 0.000 1.036 271 S CB 1.335 64.544 63.200 0.016 0.000 0.919 271 S HN 1.605 nan 8.310 nan 0.000 0.515 272 A N 4.889 127.702 122.820 -0.012 0.000 2.431 272 A HA 0.338 4.658 4.320 -0.000 0.000 0.239 272 A C 1.672 179.239 177.584 -0.028 0.000 1.230 272 A CA -0.348 51.675 52.037 -0.023 0.000 0.928 272 A CB 0.112 19.104 19.000 -0.014 0.000 1.006 272 A HN 0.727 nan 8.150 nan 0.000 0.520 273 R N -0.055 120.431 120.500 -0.022 0.000 2.290 273 R HA 0.117 4.457 4.340 -0.000 0.000 0.197 273 R C 0.594 176.870 176.300 -0.040 0.000 0.913 273 R CA 0.802 56.888 56.100 -0.023 0.000 1.040 273 R CB -0.175 30.121 30.300 -0.007 0.000 0.992 273 R HN 0.484 nan 8.270 nan 0.000 0.500 274 V N -1.437 118.444 119.914 -0.055 0.000 2.837 274 V HA 0.467 4.587 4.120 -0.000 0.000 0.310 274 V C 0.488 176.507 176.094 -0.126 0.000 1.059 274 V CA -1.000 61.245 62.300 -0.091 0.000 1.004 274 V CB 2.122 33.886 31.823 -0.097 0.000 1.045 274 V HN -0.272 nan 8.190 nan 0.000 0.465 275 V N 4.304 124.128 119.914 -0.150 0.000 2.406 275 V HA 0.428 4.548 4.120 -0.000 0.000 0.272 275 V C 1.095 177.067 176.094 -0.204 0.000 1.043 275 V CA -0.155 62.040 62.300 -0.174 0.000 0.915 275 V CB 0.677 32.431 31.823 -0.115 0.000 0.988 275 V HN 0.945 nan 8.190 nan 0.000 0.466 276 R N 1.485 121.817 120.500 -0.280 0.000 2.335 276 R HA 0.211 4.550 4.340 -0.000 0.000 0.210 276 R C 0.096 176.313 176.300 -0.139 0.000 0.892 276 R CA -0.173 55.804 56.100 -0.205 0.000 1.048 276 R CB 0.244 30.435 30.300 -0.181 0.000 1.067 276 R HN 0.763 nan 8.270 nan 0.000 0.524 277 H N 0.207 119.252 119.070 -0.042 0.000 2.848 277 H HA 0.063 4.619 4.556 -0.000 0.000 0.341 277 H C -0.207 175.098 175.328 -0.037 0.000 1.060 277 H CA -0.428 55.600 56.048 -0.033 0.000 1.444 277 H CB 1.074 30.819 29.762 -0.030 0.000 1.446 277 H HN -0.185 nan 8.280 nan 0.000 0.583 278 V N 5.701 125.679 119.914 0.107 0.000 2.461 278 V HA -0.055 4.064 4.120 -0.000 0.000 0.275 278 V C 1.713 177.829 176.094 0.037 0.000 1.047 278 V CA 0.084 62.410 62.300 0.043 0.000 0.955 278 V CB 0.423 32.263 31.823 0.028 0.000 0.988 278 V HN 0.749 nan 8.190 nan 0.000 0.471 279 I N 3.120 123.702 120.570 0.021 0.000 2.361 279 I HA -0.086 4.084 4.170 -0.000 0.000 0.251 279 I C 2.081 178.195 176.117 -0.004 0.000 1.133 279 I CA 1.835 63.139 61.300 0.007 0.000 1.413 279 I CB -0.294 37.708 38.000 0.003 0.000 1.073 279 I HN 0.575 nan 8.210 nan 0.000 0.424 280 A N 1.110 123.930 122.820 -0.001 0.000 2.172 280 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 280 A C 2.135 179.715 177.584 -0.008 0.000 1.154 280 A CA 1.088 53.122 52.037 -0.004 0.000 0.701 280 A CB -0.501 18.498 19.000 -0.001 0.000 0.789 280 A HN 0.499 nan 8.150 nan 0.000 0.465 281 E N 0.026 120.220 120.200 -0.010 0.000 2.204 281 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 281 E C 1.140 177.722 176.600 -0.029 0.000 0.989 281 E CA 0.222 56.612 56.400 -0.016 0.000 0.824 281 E CB -0.217 29.474 29.700 -0.015 0.000 0.756 281 E HN 0.627 nan 8.360 nan 0.000 0.477 282 R N 1.637 122.116 120.500 -0.036 0.000 2.442 282 R HA 0.090 4.430 4.340 -0.000 0.000 0.291 282 R C -0.330 175.954 176.300 -0.028 0.000 1.069 282 R CA -0.010 56.065 56.100 -0.042 0.000 1.022 282 R CB 0.465 30.737 30.300 -0.047 0.000 0.976 282 R HN -0.132 nan 8.270 nan 0.000 0.443 283 R N 5.124 125.607 120.500 -0.027 0.000 2.294 283 R HA 0.302 4.642 4.340 -0.000 0.000 0.319 283 R C -0.490 175.798 176.300 -0.019 0.000 0.984 283 R CA -0.650 55.438 56.100 -0.020 0.000 0.861 283 R CB 1.276 31.566 30.300 -0.017 0.000 1.104 283 R HN 0.486 nan 8.270 nan 0.000 0.451 284 L N 2.767 123.981 121.223 -0.015 0.000 2.350 284 L HA 0.310 4.650 4.340 -0.000 0.000 0.275 284 L C 0.198 177.061 176.870 -0.012 0.000 1.099 284 L CA -0.317 54.514 54.840 -0.014 0.000 0.808 284 L CB 0.763 42.815 42.059 -0.012 0.000 1.149 284 L HN 0.433 nan 8.230 nan 0.000 0.442 285 D N 0.627 121.020 120.400 -0.012 0.000 2.340 285 D HA 0.311 4.951 4.640 -0.000 0.000 0.243 285 D C 0.635 176.930 176.300 -0.008 0.000 0.988 285 D CA -0.370 53.624 54.000 -0.010 0.000 0.959 285 D CB 2.133 42.926 40.800 -0.010 0.000 1.226 285 D HN 0.562 nan 8.370 nan 0.000 0.509 286 A N 1.253 124.068 122.820 -0.007 0.000 1.927 286 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 286 A C 1.964 179.545 177.584 -0.006 0.000 1.185 286 A CA 2.395 54.429 52.037 -0.006 0.000 0.639 286 A CB -1.104 17.893 19.000 -0.005 0.000 0.820 286 A HN 0.662 nan 8.150 nan 0.000 0.451 287 G N -0.691 108.105 108.800 -0.007 0.000 2.470 287 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.220 287 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.220 287 G C 1.010 175.906 174.900 -0.007 0.000 1.121 287 G CA 1.119 46.215 45.100 -0.007 0.000 0.766 287 G HN 0.540 nan 8.290 nan 0.000 0.553 288 D N 0.380 120.775 120.400 -0.008 0.000 2.277 288 D HA -0.013 4.627 4.640 -0.000 0.000 0.208 288 D C 1.122 177.417 176.300 -0.008 0.000 0.962 288 D CA 0.078 54.072 54.000 -0.009 0.000 0.865 288 D CB 0.234 41.027 40.800 -0.011 0.000 0.939 288 D HN 0.147 nan 8.370 nan 0.000 0.510 289 I N 1.469 122.035 120.570 -0.007 0.000 2.662 289 I HA 0.252 4.422 4.170 -0.000 0.000 0.285 289 I C 1.391 177.505 176.117 -0.005 0.000 1.161 289 I CA 0.851 62.148 61.300 -0.006 0.000 1.415 289 I CB -0.164 37.833 38.000 -0.005 0.000 1.385 289 I HN 0.003 nan 8.210 nan 0.000 0.552 290 G N 5.523 114.320 108.800 -0.005 0.000 2.367 290 G HA2 0.118 4.078 3.960 -0.000 0.000 0.272 290 G HA3 0.118 4.078 3.960 -0.000 0.000 0.272 290 G C -1.083 173.814 174.900 -0.005 0.000 1.271 290 G CA -0.712 44.385 45.100 -0.004 0.000 0.893 290 G HN 0.381 nan 8.290 nan 0.000 0.485 291 T N 2.096 116.647 114.554 -0.004 0.000 2.733 291 T HA 0.535 4.885 4.350 -0.000 0.000 0.294 291 T C -0.039 174.658 174.700 -0.005 0.000 0.956 291 T CA -0.142 61.955 62.100 -0.005 0.000 0.987 291 T CB 1.186 70.052 68.868 -0.004 0.000 0.920 291 T HN 0.434 nan 8.240 nan 0.000 0.470 292 E N 3.259 123.456 120.200 -0.005 0.000 2.283 292 E HA 0.189 4.539 4.350 -0.000 0.000 0.267 292 E C -1.276 175.321 176.600 -0.005 0.000 1.045 292 E CA -2.014 54.382 56.400 -0.005 0.000 0.884 292 E CB 0.665 30.361 29.700 -0.006 0.000 1.106 292 E HN 0.329 nan 8.360 nan 0.000 0.408 293 P HA -0.144 nan 4.420 nan 0.000 0.215 293 P C -0.531 176.765 177.300 -0.006 0.000 1.153 293 P CA 1.442 64.539 63.100 -0.005 0.000 0.853 293 P CB 0.306 32.004 31.700 -0.004 0.000 0.788 294 E N -1.554 118.642 120.200 -0.006 0.000 2.369 294 E HA 0.605 4.955 4.350 -0.000 0.000 0.270 294 E C -0.983 175.614 176.600 -0.005 0.000 0.909 294 E CA -1.168 55.228 56.400 -0.006 0.000 0.775 294 E CB 2.093 31.788 29.700 -0.007 0.000 1.270 294 E HN -0.101 nan 8.360 nan 0.000 0.445 295 A N 0.553 123.370 122.820 -0.005 0.000 2.332 295 A HA 0.445 4.765 4.320 -0.000 0.000 0.258 295 A C 1.163 178.746 177.584 -0.002 0.000 1.087 295 A CA 0.292 52.328 52.037 -0.002 0.000 0.802 295 A CB 0.177 19.178 19.000 0.001 0.000 1.042 295 A HN 0.784 nan 8.150 nan 0.000 0.489 296 G N -0.492 108.309 108.800 0.000 0.000 2.776 296 G HA2 0.249 4.209 3.960 -0.000 0.000 0.209 296 G HA3 0.249 4.209 3.960 -0.000 0.000 0.209 296 G C 0.471 175.369 174.900 -0.004 0.000 1.145 296 G CA 0.449 45.548 45.100 -0.001 0.000 0.791 296 G HN 0.722 nan 8.290 nan 0.000 0.530 297 Q N -0.054 119.748 119.800 0.003 0.000 2.421 297 Q HA 0.313 4.653 4.340 -0.000 0.000 0.280 297 Q C -1.465 174.544 176.000 0.014 0.000 1.085 297 Q CA -1.035 54.772 55.803 0.006 0.000 0.807 297 Q CB 2.048 30.805 28.738 0.032 0.000 1.405 297 Q HN 0.029 nan 8.270 nan 0.000 0.419 298 D N 0.583 120.990 120.400 0.011 0.000 2.383 298 D HA 0.402 5.042 4.640 -0.000 0.000 0.248 298 D C -0.181 176.172 176.300 0.089 0.000 1.170 298 D CA -0.130 53.886 54.000 0.026 0.000 0.977 298 D CB 0.864 41.666 40.800 0.002 0.000 1.120 298 D HN 0.619 nan 8.370 nan 0.000 0.481 299 A N 0.289 123.158 122.820 0.081 0.000 2.366 299 A HA 0.030 4.350 4.320 -0.000 0.000 0.250 299 A C 0.624 178.362 177.584 0.258 0.000 1.099 299 A CA -0.071 52.030 52.037 0.107 0.000 0.794 299 A CB -0.100 18.919 19.000 0.031 0.000 1.056 299 A HN 0.543 nan 8.150 nan 0.000 0.499 300 Y N 0.713 121.030 120.300 0.027 0.000 2.256 300 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 300 Y C 2.941 178.874 175.900 0.055 0.000 1.155 300 Y CA 1.558 59.680 58.100 0.038 0.000 1.203 300 Y CB -1.304 37.170 38.460 0.023 0.000 0.980 300 Y HN 0.725 nan 8.280 nan 0.000 0.530 301 S N -1.001 114.827 115.700 0.213 0.000 2.493 301 S HA -0.112 4.358 4.470 -0.000 0.000 0.243 301 S C 1.773 176.474 174.600 0.169 0.000 0.991 301 S CA 1.139 59.430 58.200 0.150 0.000 0.957 301 S CB -0.553 62.711 63.200 0.107 0.000 0.756 301 S HN 0.460 nan 8.310 nan 0.000 0.521 302 L N -0.408 120.934 121.223 0.198 0.000 2.588 302 L HA 0.362 4.702 4.340 -0.000 0.000 0.194 302 L C 2.737 179.819 176.870 0.352 0.000 1.070 302 L CA 0.187 55.193 54.840 0.277 0.000 0.852 302 L CB -0.216 41.948 42.059 0.175 0.000 1.199 302 L HN 0.157 nan 8.230 nan 0.000 0.486 303 R N -0.061 120.564 120.500 0.209 0.000 2.096 303 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 303 R C 1.561 177.956 176.300 0.158 0.000 1.127 303 R CA 1.777 57.973 56.100 0.161 0.000 0.968 303 R CB -0.193 30.161 30.300 0.089 0.000 0.861 303 R HN 0.391 nan 8.270 nan 0.000 0.440 304 C N 0.320 119.667 119.300 0.080 0.000 2.614 304 C HA 0.424 4.884 4.460 -0.000 0.000 0.299 304 C C 2.119 177.112 174.990 0.005 0.000 1.293 304 C CA -0.362 58.641 59.018 -0.026 0.000 1.713 304 C CB -0.488 27.136 27.740 -0.194 0.000 1.890 304 C HN 0.619 nan 8.230 nan 0.000 0.602 305 A N 2.673 125.540 122.820 0.077 0.000 1.908 305 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 305 A C 0.042 177.538 177.584 -0.148 0.000 1.181 305 A CA 1.782 53.801 52.037 -0.031 0.000 0.627 305 A CB -1.574 17.407 19.000 -0.033 0.000 0.818 305 A HN 0.417 nan 8.150 nan 0.000 0.445 306 P HA -0.160 nan 4.420 nan 0.000 0.215 306 P C 1.275 178.495 177.300 -0.133 0.000 1.153 306 P CA 1.546 64.550 63.100 -0.159 0.000 0.853 306 P CB -0.055 31.600 31.700 -0.075 0.000 0.788 307 Q N -0.934 118.810 119.800 -0.094 0.000 2.079 307 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 307 Q C 2.155 178.066 176.000 -0.149 0.000 0.974 307 Q CA 1.266 57.009 55.803 -0.099 0.000 0.840 307 Q CB -1.423 27.266 28.738 -0.081 0.000 0.898 307 Q HN 0.091 nan 8.270 nan 0.000 0.430 308 V N 0.319 120.142 119.914 -0.152 0.000 2.283 308 V HA -0.197 3.923 4.120 -0.000 0.000 0.243 308 V C 2.100 178.032 176.094 -0.269 0.000 1.039 308 V CA 1.446 63.644 62.300 -0.170 0.000 1.016 308 V CB -0.591 31.161 31.823 -0.118 0.000 0.650 308 V HN 0.299 nan 8.190 nan 0.000 0.449 309 L N 0.559 121.574 121.223 -0.348 0.000 2.046 309 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 309 L C 2.667 178.972 176.870 -0.942 0.000 1.077 309 L CA 1.777 56.216 54.840 -0.670 0.000 0.747 309 L CB -1.225 40.439 42.059 -0.659 0.000 0.896 309 L HN 0.485 nan 8.230 nan 0.000 0.432 310 G N -0.338 108.144 108.800 -0.530 0.000 2.440 310 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 310 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 310 G C 1.766 176.549 174.900 -0.196 0.000 1.154 310 G CA 0.852 45.777 45.100 -0.291 0.000 0.767 310 G HN 0.477 nan 8.290 nan 0.000 0.552 311 A N 0.760 123.446 122.820 -0.224 0.000 1.930 311 A HA 0.199 4.519 4.320 -0.000 0.000 0.217 311 A C 2.687 180.198 177.584 -0.121 0.000 1.175 311 A CA 1.990 53.919 52.037 -0.181 0.000 0.627 311 A CB -0.925 17.961 19.000 -0.190 0.000 0.815 311 A HN 0.504 nan 8.150 nan 0.000 0.443 312 G N -1.096 107.597 108.800 -0.177 0.000 2.408 312 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.217 312 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.217 312 G C 1.272 176.254 174.900 0.136 0.000 1.150 312 G CA 1.006 46.056 45.100 -0.083 0.000 0.776 312 G HN 0.379 nan 8.290 nan 0.000 0.542 313 F N 1.684 121.636 119.950 0.003 0.000 2.186 313 F HA 0.049 4.576 4.527 -0.000 0.000 0.299 313 F C 2.266 178.089 175.800 0.038 0.000 1.090 313 F CA 0.313 58.328 58.000 0.025 0.000 1.307 313 F CB -0.604 38.404 39.000 0.014 0.000 1.019 313 F HN 0.114 nan 8.300 nan 0.000 0.489 314 D N -0.584 119.939 120.400 0.205 0.000 2.224 314 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 314 D C 2.184 178.585 176.300 0.169 0.000 0.965 314 D CA 1.307 55.394 54.000 0.144 0.000 0.852 314 D CB -0.305 40.528 40.800 0.054 0.000 0.947 314 D HN 0.203 nan 8.370 nan 0.000 0.494 315 T N 1.118 115.765 114.554 0.155 0.000 2.812 315 T HA -0.103 4.247 4.350 -0.000 0.000 0.264 315 T C 1.911 176.779 174.700 0.281 0.000 1.042 315 T CA 0.317 62.549 62.100 0.219 0.000 1.140 315 T CB -0.176 68.776 68.868 0.139 0.000 0.870 315 T HN 0.039 nan 8.240 nan 0.000 0.445 316 L N 1.556 122.903 121.223 0.208 0.000 2.083 316 L HA 0.095 4.435 4.340 -0.000 0.000 0.209 316 L C 2.572 179.564 176.870 0.204 0.000 1.083 316 L CA 1.703 56.645 54.840 0.168 0.000 0.752 316 L CB -0.971 41.168 42.059 0.132 0.000 0.899 316 L HN 0.220 nan 8.230 nan 0.000 0.433 317 A N -1.308 121.633 122.820 0.201 0.000 1.933 317 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 317 A C 2.116 179.844 177.584 0.239 0.000 1.175 317 A CA 1.696 53.840 52.037 0.179 0.000 0.628 317 A CB -1.378 17.716 19.000 0.158 0.000 0.814 317 A HN 0.736 nan 8.150 nan 0.000 0.444 318 W N 0.269 121.627 121.300 0.097 0.000 2.379 318 W HA -0.166 4.494 4.660 -0.000 0.000 0.307 318 W C 2.259 178.845 176.519 0.112 0.000 1.200 318 W CA 1.868 59.266 57.345 0.088 0.000 1.297 318 W CB -0.720 28.785 29.460 0.076 0.000 1.140 318 W HN 0.620 nan 8.180 nan 0.000 0.507 319 H N 0.198 119.246 119.070 -0.037 0.000 2.319 319 H HA -0.177 4.379 4.556 -0.000 0.000 0.297 319 H C 1.352 176.580 175.328 -0.167 0.000 1.097 319 H CA 2.434 58.348 56.048 -0.223 0.000 1.285 319 H CB -0.529 29.206 29.762 -0.046 0.000 1.368 319 H HN 0.063 nan 8.280 nan 0.000 0.495 320 D N 0.226 120.686 120.400 0.101 0.000 2.178 320 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 320 D C 2.594 178.868 176.300 -0.044 0.000 0.974 320 D CA 0.566 54.590 54.000 0.040 0.000 0.841 320 D CB -0.227 40.636 40.800 0.105 0.000 0.953 320 D HN 0.378 nan 8.370 nan 0.000 0.478 321 R N 0.267 120.749 120.500 -0.030 0.000 2.073 321 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 321 R C 2.304 178.543 176.300 -0.102 0.000 1.134 321 R CA 0.744 56.832 56.100 -0.021 0.000 0.952 321 R CB -0.414 29.919 30.300 0.056 0.000 0.850 321 R HN 0.103 nan 8.270 nan 0.000 0.433 322 V N 1.342 121.111 119.914 -0.240 0.000 2.358 322 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 322 V C 2.203 178.145 176.094 -0.254 0.000 1.047 322 V CA 1.339 63.470 62.300 -0.282 0.000 1.035 322 V CB -0.410 31.119 31.823 -0.491 0.000 0.658 322 V HN 0.228 nan 8.190 nan 0.000 0.452 323 L N 0.028 121.067 121.223 -0.307 0.000 2.093 323 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 323 L C 2.451 179.234 176.870 -0.144 0.000 1.085 323 L CA 2.314 57.000 54.840 -0.257 0.000 0.755 323 L CB -0.944 40.923 42.059 -0.320 0.000 0.904 323 L HN 0.337 nan 8.230 nan 0.000 0.435 324 T N -0.167 114.328 114.554 -0.098 0.000 2.746 324 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 324 T C 1.961 176.643 174.700 -0.030 0.000 1.039 324 T CA 1.968 64.043 62.100 -0.040 0.000 1.142 324 T CB -0.286 68.601 68.868 0.033 0.000 0.866 324 T HN 0.314 nan 8.240 nan 0.000 0.444 325 I N 0.707 121.247 120.570 -0.050 0.000 2.202 325 I HA -0.136 4.034 4.170 -0.000 0.000 0.242 325 I C 2.734 178.796 176.117 -0.091 0.000 1.091 325 I CA 1.282 62.548 61.300 -0.056 0.000 1.368 325 I CB -0.326 37.617 38.000 -0.093 0.000 1.058 325 I HN 0.198 nan 8.210 nan 0.000 0.410 326 E N 1.350 121.473 120.200 -0.128 0.000 2.077 326 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 326 E C 2.036 178.581 176.600 -0.092 0.000 0.989 326 E CA 1.287 57.612 56.400 -0.124 0.000 0.800 326 E CB -0.278 29.341 29.700 -0.134 0.000 0.746 326 E HN 0.312 nan 8.360 nan 0.000 0.452 327 L N 0.916 122.084 121.223 -0.091 0.000 2.079 327 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 327 L C 1.171 177.991 176.870 -0.082 0.000 1.081 327 L CA 1.820 56.608 54.840 -0.085 0.000 0.752 327 L CB -0.385 41.615 42.059 -0.098 0.000 0.896 327 L HN 0.147 nan 8.230 nan 0.000 0.433 328 N N -0.125 118.529 118.700 -0.077 0.000 2.270 328 N HA 0.215 4.955 4.740 -0.000 0.000 0.198 328 N C 0.247 175.740 175.510 -0.028 0.000 1.117 328 N CA 0.619 53.638 53.050 -0.052 0.000 0.845 328 N CB 0.260 38.738 38.487 -0.015 0.000 0.980 328 N HN 0.407 nan 8.380 nan 0.000 0.486 329 A N 0.258 123.051 122.820 -0.045 0.000 2.256 329 A HA 0.550 4.870 4.320 -0.000 0.000 0.318 329 A C 0.096 177.655 177.584 -0.042 0.000 1.103 329 A CA -0.416 51.592 52.037 -0.048 0.000 0.860 329 A CB 1.036 19.991 19.000 -0.076 0.000 1.182 329 A HN -0.035 nan 8.150 nan 0.000 0.501 330 V N 1.796 121.685 119.914 -0.042 0.000 2.368 330 V HA 0.369 4.489 4.120 -0.000 0.000 0.266 330 V C 0.377 176.445 176.094 -0.043 0.000 1.045 330 V CA 0.229 62.508 62.300 -0.034 0.000 0.899 330 V CB 0.529 32.333 31.823 -0.032 0.000 1.006 330 V HN 0.932 nan 8.190 nan 0.000 0.470 331 T N 0.490 115.029 114.554 -0.026 0.000 3.042 331 T HA 0.640 4.990 4.350 -0.000 0.000 0.356 331 T C -0.748 173.970 174.700 0.030 0.000 1.233 331 T CA -0.607 61.486 62.100 -0.012 0.000 1.038 331 T CB 0.866 69.733 68.868 -0.002 0.000 1.089 331 T HN 0.581 nan 8.240 nan 0.000 0.531 332 D N 1.708 122.124 120.400 0.027 0.000 2.622 332 D HA 0.522 5.162 4.640 -0.000 0.000 0.255 332 D C -1.649 174.684 176.300 0.055 0.000 1.246 332 D CA -0.424 53.611 54.000 0.057 0.000 0.795 332 D CB 2.329 43.133 40.800 0.007 0.000 1.369 332 D HN 0.514 nan 8.370 nan 0.000 0.425 333 N N 0.849 119.609 118.700 0.099 0.000 2.493 333 N HA 0.439 5.179 4.740 -0.000 0.000 0.279 333 N C -2.950 172.591 175.510 0.050 0.000 1.082 333 N CA -1.015 52.068 53.050 0.055 0.000 0.963 333 N CB 2.853 41.512 38.487 0.286 0.000 1.627 333 N HN 0.041 nan 8.380 nan 0.000 0.499 334 P HA 0.320 nan 4.420 nan 0.000 0.279 334 P C -0.857 176.101 177.300 -0.571 0.000 1.282 334 P CA -0.437 62.397 63.100 -0.444 0.000 0.788 334 P CB 0.937 32.160 31.700 -0.796 0.000 1.139 335 V N -3.763 115.774 119.914 -0.627 0.000 3.001 335 V HA 0.646 4.766 4.120 -0.000 0.000 0.314 335 V C -1.029 174.652 176.094 -0.688 0.000 1.099 335 V CA -0.929 61.013 62.300 -0.597 0.000 0.989 335 V CB 1.559 33.227 31.823 -0.259 0.000 1.040 335 V HN 0.210 nan 8.190 nan 0.000 0.434 336 F N 1.844 121.778 119.950 -0.026 0.000 2.366 336 F HA 0.611 5.137 4.527 -0.000 0.000 0.366 336 F C -2.443 173.351 175.800 -0.009 0.000 1.096 336 F CA -2.673 55.318 58.000 -0.015 0.000 1.060 336 F CB 1.252 40.251 39.000 -0.003 0.000 1.282 336 F HN 0.294 nan 8.300 nan 0.000 0.450 337 P HA 0.005 nan 4.420 nan 0.000 0.256 337 P C -1.969 175.377 177.300 0.076 0.000 1.173 337 P CA -0.611 62.529 63.100 0.067 0.000 0.768 337 P CB 0.419 32.145 31.700 0.044 0.000 0.758 338 P HA -0.196 nan 4.420 nan 0.000 0.219 338 P C 0.821 178.143 177.300 0.036 0.000 1.146 338 P CA 1.388 64.517 63.100 0.049 0.000 0.808 338 P CB -0.127 31.596 31.700 0.037 0.000 0.779 339 D N -1.706 118.713 120.400 0.031 0.000 2.363 339 D HA 0.028 4.668 4.640 -0.000 0.000 0.226 339 D C 1.413 177.729 176.300 0.026 0.000 1.020 339 D CA 0.800 54.814 54.000 0.024 0.000 0.892 339 D CB -1.283 39.528 40.800 0.018 0.000 0.900 339 D HN 0.175 nan 8.370 nan 0.000 0.531 340 G N 0.277 109.099 108.800 0.036 0.000 2.168 340 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.257 340 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.257 340 G C 1.230 176.151 174.900 0.034 0.000 0.997 340 G CA 1.168 46.291 45.100 0.037 0.000 0.708 340 G HN 0.631 nan 8.290 nan 0.000 0.520 341 S N -1.477 114.243 115.700 0.032 0.000 2.359 341 S HA 0.170 4.640 4.470 -0.000 0.000 0.224 341 S C 1.240 175.860 174.600 0.034 0.000 1.035 341 S CA 1.918 60.135 58.200 0.027 0.000 1.018 341 S CB -0.431 62.782 63.200 0.022 0.000 0.876 341 S HN 1.994 nan 8.310 nan 0.000 0.448 342 V N -3.265 116.675 119.914 0.044 0.000 3.078 342 V HA 0.573 4.693 4.120 -0.000 0.000 0.311 342 V C -2.508 173.635 176.094 0.081 0.000 1.138 342 V CA -2.174 60.159 62.300 0.054 0.000 1.007 342 V CB 1.219 33.072 31.823 0.050 0.000 1.045 342 V HN -0.105 nan 8.190 nan 0.000 0.432 343 P HA 0.235 nan 4.420 nan 0.000 0.217 343 P C 0.274 177.715 177.300 0.234 0.000 1.150 343 P CA 2.048 65.230 63.100 0.137 0.000 0.832 343 P CB 0.187 31.959 31.700 0.120 0.000 0.787 344 A N -1.967 120.953 122.820 0.166 0.000 2.586 344 A HA 0.647 4.967 4.320 -0.000 0.000 0.291 344 A C -1.982 175.595 177.584 -0.011 0.000 1.062 344 A CA -0.534 51.547 52.037 0.073 0.000 0.666 344 A CB 0.434 19.481 19.000 0.079 0.000 1.281 344 A HN -0.056 nan 8.150 nan 0.000 0.421 345 L N 1.064 122.188 121.223 -0.165 0.000 2.386 345 L HA 0.581 4.921 4.340 -0.000 0.000 0.271 345 L C -1.201 175.512 176.870 -0.262 0.000 0.993 345 L CA -0.679 54.099 54.840 -0.103 0.000 0.819 345 L CB 2.320 44.326 42.059 -0.088 0.000 1.294 345 L HN 0.842 nan 8.230 nan 0.000 0.414 346 H N 1.300 120.320 119.070 -0.084 0.000 2.511 346 H HA 0.739 5.295 4.556 -0.000 0.000 0.328 346 H C 0.199 175.476 175.328 -0.085 0.000 1.044 346 H CA -0.164 55.832 56.048 -0.086 0.000 1.212 346 H CB 1.905 31.613 29.762 -0.090 0.000 1.428 346 H HN 0.747 nan 8.280 nan 0.000 0.483 347 G N 0.767 109.553 108.800 -0.022 0.000 2.896 347 G HA2 0.457 4.417 3.960 -0.000 0.000 0.247 347 G HA3 0.457 4.417 3.960 -0.000 0.000 0.247 347 G C -0.187 174.598 174.900 -0.192 0.000 1.187 347 G CA -0.339 44.711 45.100 -0.084 0.000 0.837 347 G HN 0.652 nan 8.290 nan 0.000 0.559 348 G N 0.023 108.587 108.800 -0.393 0.000 4.716 348 G HA2 0.289 4.249 3.960 -0.000 0.000 0.282 348 G HA3 0.289 4.249 3.960 -0.000 0.000 0.282 348 G C 0.194 174.502 174.900 -0.987 0.000 1.173 348 G CA -0.160 44.358 45.100 -0.969 0.000 0.913 348 G HN 0.254 nan 8.290 nan 0.000 0.566 349 N N 0.834 119.163 118.700 -0.619 0.000 2.609 349 N HA -0.032 4.708 4.740 -0.000 0.000 0.190 349 N C 1.440 176.783 175.510 -0.279 0.000 1.157 349 N CA 0.286 53.123 53.050 -0.355 0.000 0.918 349 N CB -0.152 38.221 38.487 -0.190 0.000 0.978 349 N HN 0.630 nan 8.380 nan 0.000 0.448 350 F N -1.425 118.508 119.950 -0.029 0.000 2.776 350 F HA 0.360 4.887 4.527 -0.000 0.000 0.300 350 F C 0.758 176.555 175.800 -0.006 0.000 1.116 350 F CA -0.853 57.136 58.000 -0.019 0.000 1.375 350 F CB -0.698 38.292 39.000 -0.017 0.000 1.109 350 F HN -0.164 nan 8.300 nan 0.000 0.585 351 M N 2.678 122.201 119.600 -0.128 0.000 2.350 351 M HA 0.389 4.869 4.480 -0.000 0.000 0.338 351 M C 0.928 177.259 176.300 0.052 0.000 1.559 351 M CA -0.417 54.913 55.300 0.049 0.000 1.217 351 M CB 0.316 32.868 32.600 -0.079 0.000 1.808 351 M HN 0.232 nan 8.290 nan 0.000 0.458 352 G N 3.450 112.305 108.800 0.091 0.000 3.452 352 G HA2 0.038 3.998 3.960 -0.000 0.000 0.258 352 G HA3 0.038 3.998 3.960 -0.000 0.000 0.258 352 G C 0.673 175.608 174.900 0.059 0.000 1.305 352 G CA -0.199 44.941 45.100 0.067 0.000 1.514 352 G HN 0.815 nan 8.290 nan 0.000 0.593 353 Q N 0.032 119.867 119.800 0.058 0.000 2.167 353 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 353 Q C 1.930 177.910 176.000 -0.033 0.000 0.970 353 Q CA 1.488 57.296 55.803 0.008 0.000 0.855 353 Q CB -0.128 28.595 28.738 -0.025 0.000 0.911 353 Q HN 0.717 nan 8.270 nan 0.000 0.438 354 H N -1.743 117.300 119.070 -0.046 0.000 2.321 354 H HA -0.056 4.500 4.556 -0.000 0.000 0.300 354 H C 1.787 177.030 175.328 -0.143 0.000 1.087 354 H CA 1.756 57.750 56.048 -0.091 0.000 1.319 354 H CB 0.002 29.697 29.762 -0.112 0.000 1.379 354 H HN 0.070 nan 8.280 nan 0.000 0.501 355 V N 0.454 120.371 119.914 0.005 0.000 2.667 355 V HA -0.190 3.930 4.120 -0.000 0.000 0.252 355 V C 2.445 178.526 176.094 -0.021 0.000 1.065 355 V CA 1.331 63.595 62.300 -0.061 0.000 1.083 355 V CB -0.835 30.962 31.823 -0.043 0.000 0.692 355 V HN 0.560 nan 8.190 nan 0.000 0.468 356 A N -0.021 122.801 122.820 0.004 0.000 1.873 356 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 356 A C 2.190 179.791 177.584 0.028 0.000 1.186 356 A CA 1.623 53.674 52.037 0.024 0.000 0.616 356 A CB -0.443 18.573 19.000 0.027 0.000 0.823 356 A HN 0.484 nan 8.150 nan 0.000 0.442 357 L N -0.117 121.112 121.223 0.010 0.000 2.109 357 L HA -0.132 4.207 4.340 -0.000 0.000 0.207 357 L C 2.961 179.887 176.870 0.093 0.000 1.086 357 L CA 1.766 56.644 54.840 0.063 0.000 0.760 357 L CB -0.871 41.236 42.059 0.080 0.000 0.910 357 L HN 0.651 nan 8.230 nan 0.000 0.437 358 T N -4.622 109.886 114.554 -0.078 0.000 2.904 358 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 358 T C 2.018 176.808 174.700 0.150 0.000 1.059 358 T CA 1.184 63.197 62.100 -0.145 0.000 1.137 358 T CB -0.172 68.386 68.868 -0.517 0.000 0.879 358 T HN 0.112 nan 8.240 nan 0.000 0.467 359 S N 1.669 117.447 115.700 0.129 0.000 2.368 359 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 359 S C 1.851 176.519 174.600 0.114 0.000 1.029 359 S CA 1.176 59.473 58.200 0.162 0.000 0.988 359 S CB -0.522 62.748 63.200 0.116 0.000 0.838 359 S HN 0.511 nan 8.310 nan 0.000 0.462 360 D N 1.657 122.117 120.400 0.101 0.000 2.144 360 D HA -0.004 4.636 4.640 -0.000 0.000 0.199 360 D C 2.089 178.448 176.300 0.098 0.000 0.984 360 D CA 1.175 55.227 54.000 0.087 0.000 0.834 360 D CB -0.389 40.457 40.800 0.076 0.000 0.955 360 D HN 0.376 nan 8.370 nan 0.000 0.465 361 A N 0.638 123.554 122.820 0.160 0.000 1.898 361 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 361 A C 2.140 179.799 177.584 0.125 0.000 1.181 361 A CA 0.880 53.027 52.037 0.184 0.000 0.620 361 A CB -0.664 18.569 19.000 0.389 0.000 0.819 361 A HN 0.244 nan 8.150 nan 0.000 0.442 362 L N -0.198 121.097 121.223 0.120 0.000 2.083 362 L HA -0.030 4.309 4.340 -0.000 0.000 0.209 362 L C 2.619 179.480 176.870 -0.014 0.000 1.083 362 L CA 2.019 56.874 54.840 0.025 0.000 0.752 362 L CB -0.764 41.237 42.059 -0.096 0.000 0.899 362 L HN 0.342 nan 8.230 nan 0.000 0.433 363 A N -1.522 121.303 122.820 0.010 0.000 1.902 363 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 363 A C 2.266 179.827 177.584 -0.037 0.000 1.181 363 A CA 2.328 54.361 52.037 -0.005 0.000 0.623 363 A CB -1.202 17.811 19.000 0.022 0.000 0.818 363 A HN 0.500 nan 8.150 nan 0.000 0.443 364 T N 0.289 114.830 114.554 -0.021 0.000 2.708 364 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 364 T C 2.238 176.883 174.700 -0.091 0.000 1.037 364 T CA 1.609 63.684 62.100 -0.042 0.000 1.146 364 T CB -0.482 68.376 68.868 -0.017 0.000 0.865 364 T HN 0.607 nan 8.240 nan 0.000 0.435 365 A N 1.011 123.778 122.820 -0.089 0.000 1.908 365 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 365 A C 2.592 180.006 177.584 -0.282 0.000 1.181 365 A CA 1.447 53.398 52.037 -0.143 0.000 0.627 365 A CB -1.078 17.872 19.000 -0.084 0.000 0.818 365 A HN 0.354 nan 8.150 nan 0.000 0.445 366 V N -0.256 119.476 119.914 -0.303 0.000 2.343 366 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 366 V C 2.734 178.506 176.094 -0.537 0.000 1.051 366 V CA 2.490 64.461 62.300 -0.548 0.000 1.036 366 V CB -1.249 30.419 31.823 -0.258 0.000 0.654 366 V HN 0.617 nan 8.190 nan 0.000 0.451 367 T N -0.211 114.175 114.554 -0.280 0.000 2.788 367 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 367 T C 1.914 176.484 174.700 -0.216 0.000 1.044 367 T CA 1.498 63.477 62.100 -0.201 0.000 1.139 367 T CB -0.144 68.661 68.868 -0.105 0.000 0.867 367 T HN 0.290 nan 8.240 nan 0.000 0.454 368 V N 1.077 120.856 119.914 -0.225 0.000 2.307 368 V HA -0.070 4.050 4.120 -0.000 0.000 0.245 368 V C 2.361 178.311 176.094 -0.239 0.000 1.045 368 V CA 1.242 63.430 62.300 -0.188 0.000 1.024 368 V CB -0.520 31.206 31.823 -0.160 0.000 0.651 368 V HN 0.318 nan 8.190 nan 0.000 0.449 369 L N 0.370 121.354 121.223 -0.398 0.000 2.141 369 L HA -0.029 4.311 4.340 -0.000 0.000 0.209 369 L C 2.528 179.179 176.870 -0.366 0.000 1.094 369 L CA 2.006 56.599 54.840 -0.413 0.000 0.763 369 L CB -1.138 40.547 42.059 -0.624 0.000 0.908 369 L HN 0.285 nan 8.230 nan 0.000 0.437 370 A N -0.600 121.885 122.820 -0.559 0.000 1.930 370 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 370 A C 2.426 179.986 177.584 -0.040 0.000 1.175 370 A CA 1.420 53.329 52.037 -0.214 0.000 0.627 370 A CB -1.203 17.691 19.000 -0.177 0.000 0.815 370 A HN 0.414 nan 8.150 nan 0.000 0.443 371 G N -0.065 108.683 108.800 -0.088 0.000 2.422 371 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 371 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 371 G C 1.477 176.377 174.900 -0.001 0.000 1.146 371 G CA 1.208 46.288 45.100 -0.033 0.000 0.769 371 G HN 0.514 nan 8.290 nan 0.000 0.547 372 L N 1.316 122.534 121.223 -0.009 0.000 2.046 372 L HA 0.192 4.532 4.340 -0.000 0.000 0.208 372 L C 2.993 179.904 176.870 0.069 0.000 1.077 372 L CA 2.220 57.078 54.840 0.028 0.000 0.747 372 L CB -0.711 41.357 42.059 0.015 0.000 0.896 372 L HN 0.206 nan 8.230 nan 0.000 0.432 373 A N -0.904 121.982 122.820 0.109 0.000 1.933 373 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 373 A C 2.317 179.957 177.584 0.093 0.000 1.175 373 A CA 1.603 53.721 52.037 0.136 0.000 0.628 373 A CB -0.739 18.399 19.000 0.229 0.000 0.814 373 A HN 0.575 nan 8.150 nan 0.000 0.444 374 E N 0.033 120.282 120.200 0.081 0.000 2.077 374 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 374 E C 2.028 178.660 176.600 0.053 0.000 0.989 374 E CA 0.871 57.309 56.400 0.063 0.000 0.800 374 E CB -0.197 29.534 29.700 0.052 0.000 0.746 374 E HN 0.366 nan 8.360 nan 0.000 0.452 375 R N 0.289 120.819 120.500 0.049 0.000 2.148 375 R HA -0.026 4.314 4.340 -0.000 0.000 0.223 375 R C 2.340 178.669 176.300 0.047 0.000 1.088 375 R CA 0.752 56.878 56.100 0.044 0.000 0.985 375 R CB -0.337 29.987 30.300 0.040 0.000 0.880 375 R HN 0.397 nan 8.270 nan 0.000 0.451 376 Q N -0.045 119.788 119.800 0.056 0.000 2.123 376 Q HA -0.003 4.337 4.340 -0.000 0.000 0.199 376 Q C 2.143 178.166 176.000 0.038 0.000 0.966 376 Q CA 0.989 56.825 55.803 0.055 0.000 0.845 376 Q CB -0.009 28.772 28.738 0.071 0.000 0.907 376 Q HN 0.298 nan 8.270 nan 0.000 0.439 377 I N 0.533 121.126 120.570 0.038 0.000 2.252 377 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 377 I C 2.380 178.522 176.117 0.041 0.000 1.102 377 I CA 0.853 62.168 61.300 0.026 0.000 1.385 377 I CB -0.344 37.675 38.000 0.032 0.000 1.064 377 I HN 0.138 nan 8.210 nan 0.000 0.414 378 A N 0.744 123.594 122.820 0.051 0.000 1.972 378 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 378 A C 2.422 180.022 177.584 0.027 0.000 1.169 378 A CA 1.824 53.895 52.037 0.057 0.000 0.635 378 A CB -0.598 18.434 19.000 0.052 0.000 0.810 378 A HN 0.394 nan 8.150 nan 0.000 0.446 379 R N -1.048 119.463 120.500 0.018 0.000 2.075 379 R HA 0.007 4.347 4.340 -0.000 0.000 0.226 379 R C 1.984 178.275 176.300 -0.016 0.000 1.114 379 R CA 1.229 57.330 56.100 0.001 0.000 0.972 379 R CB -0.375 29.933 30.300 0.013 0.000 0.869 379 R HN 0.377 nan 8.270 nan 0.000 0.437 380 L N 1.217 122.435 121.223 -0.008 0.000 2.131 380 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 380 L C 1.974 178.818 176.870 -0.043 0.000 1.092 380 L CA 2.393 57.219 54.840 -0.022 0.000 0.759 380 L CB -0.457 41.588 42.059 -0.024 0.000 0.903 380 L HN 0.440 nan 8.230 nan 0.000 0.435 381 T N -4.352 110.179 114.554 -0.039 0.000 3.107 381 T HA 0.027 4.377 4.350 -0.000 0.000 0.249 381 T C 0.727 175.223 174.700 -0.342 0.000 1.096 381 T CA -0.149 61.899 62.100 -0.087 0.000 1.012 381 T CB -0.433 68.511 68.868 0.126 0.000 0.977 381 T HN 0.224 nan 8.240 nan 0.000 0.527 382 D N 2.659 122.927 120.400 -0.220 0.000 2.380 382 D HA 0.080 4.720 4.640 -0.000 0.000 0.230 382 D C 1.312 177.496 176.300 -0.194 0.000 1.154 382 D CA -0.287 53.565 54.000 -0.247 0.000 0.859 382 D CB 1.240 41.972 40.800 -0.113 0.000 1.045 382 D HN 0.616 nan 8.370 nan 0.000 0.495 383 E N 3.111 123.169 120.200 -0.236 0.000 2.267 383 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 383 E C 1.089 177.641 176.600 -0.079 0.000 0.998 383 E CA 0.822 57.142 56.400 -0.132 0.000 0.830 383 E CB 0.081 29.715 29.700 -0.109 0.000 0.751 383 E HN 0.362 nan 8.360 nan 0.000 0.491 384 R N 0.007 120.460 120.500 -0.077 0.000 2.240 384 R HA 0.170 4.510 4.340 -0.000 0.000 0.203 384 R C 1.806 178.082 176.300 -0.041 0.000 1.011 384 R CA 0.578 56.650 56.100 -0.047 0.000 1.007 384 R CB 0.176 30.454 30.300 -0.037 0.000 0.911 384 R HN 0.270 nan 8.270 nan 0.000 0.468 385 L N 0.089 121.282 121.223 -0.049 0.000 2.749 385 L HA 0.113 4.453 4.340 -0.000 0.000 0.242 385 L C 0.690 177.540 176.870 -0.034 0.000 1.103 385 L CA -0.084 54.734 54.840 -0.037 0.000 0.906 385 L CB 0.100 42.139 42.059 -0.033 0.000 1.228 385 L HN 0.120 nan 8.230 nan 0.000 0.517 386 N N 0.968 119.641 118.700 -0.045 0.000 2.362 386 N HA -0.056 4.684 4.740 -0.000 0.000 0.204 386 N C 0.037 175.530 175.510 -0.027 0.000 1.166 386 N CA -0.238 52.790 53.050 -0.036 0.000 0.831 386 N CB -0.237 38.221 38.487 -0.049 0.000 1.008 386 N HN 0.082 nan 8.380 nan 0.000 0.472 387 R N -0.490 119.995 120.500 -0.024 0.000 3.188 387 R HA -0.175 4.165 4.340 -0.000 0.000 0.247 387 R C 0.800 177.090 176.300 -0.016 0.000 0.918 387 R CA 0.492 56.581 56.100 -0.018 0.000 0.629 387 R CB -2.065 28.226 30.300 -0.015 0.000 1.087 387 R HN 0.639 nan 8.270 nan 0.000 0.462 388 G N -1.000 107.789 108.800 -0.018 0.000 2.194 388 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.236 388 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.236 388 G C 0.278 175.169 174.900 -0.015 0.000 0.987 388 G CA 0.056 45.148 45.100 -0.014 0.000 0.635 388 G HN 0.264 nan 8.290 nan 0.000 0.520 389 L N 1.579 122.790 121.223 -0.021 0.000 2.453 389 L HA 0.419 4.759 4.340 -0.000 0.000 0.261 389 L C -1.600 175.257 176.870 -0.021 0.000 1.179 389 L CA -1.980 52.847 54.840 -0.021 0.000 0.813 389 L CB 0.551 42.598 42.059 -0.021 0.000 1.110 389 L HN -0.077 nan 8.230 nan 0.000 0.466 390 P HA 0.059 nan 4.420 nan 0.000 0.269 390 P C -2.487 174.845 177.300 0.054 0.000 1.215 390 P CA -0.966 62.136 63.100 0.003 0.000 0.780 390 P CB -0.153 31.446 31.700 -0.170 0.000 0.898 391 P HA 0.006 nan 4.420 nan 0.000 0.266 391 P C -0.290 177.067 177.300 0.095 0.000 1.215 391 P CA 0.326 63.381 63.100 -0.075 0.000 0.763 391 P CB -0.168 31.523 31.700 -0.015 0.000 0.806 392 F N 1.670 121.719 119.950 0.166 0.000 3.034 392 F HA -0.238 4.289 4.527 -0.000 0.000 0.286 392 F C 1.288 177.265 175.800 0.295 0.000 0.804 392 F CA 0.295 58.418 58.000 0.205 0.000 1.161 392 F CB -2.617 36.492 39.000 0.182 0.000 1.317 392 F HN 0.277 nan 8.300 nan 0.000 0.453 393 L N -1.458 119.938 121.223 0.288 0.000 3.737 393 L HA -0.310 4.030 4.340 -0.000 0.000 0.418 393 L C 1.267 178.298 176.870 0.268 0.000 1.216 393 L CA 1.059 56.045 54.840 0.245 0.000 0.915 393 L CB -1.893 40.329 42.059 0.272 0.000 1.834 393 L HN 0.685 nan 8.230 nan 0.000 0.943 394 H N 0.362 119.554 119.070 0.203 0.000 2.603 394 H HA 0.688 5.244 4.556 -0.000 0.000 0.370 394 H C 0.226 175.607 175.328 0.088 0.000 1.225 394 H CA -0.572 55.552 56.048 0.126 0.000 1.410 394 H CB 0.938 30.766 29.762 0.110 0.000 1.495 394 H HN 0.288 nan 8.280 nan 0.000 0.602 395 R N 0.043 120.542 120.500 -0.002 0.000 2.854 395 R HA 0.482 4.822 4.340 -0.000 0.000 0.271 395 R C -0.222 176.154 176.300 0.128 0.000 0.996 395 R CA -0.220 55.855 56.100 -0.042 0.000 0.961 395 R CB 2.111 32.410 30.300 -0.001 0.000 1.182 395 R HN 1.100 nan 8.270 nan 0.000 0.479 396 G N 1.609 110.464 108.800 0.091 0.000 2.698 396 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.225 396 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.225 396 G C -2.715 172.301 174.900 0.193 0.000 1.345 396 G CA -1.210 43.961 45.100 0.118 0.000 0.871 396 G HN 0.401 nan 8.290 nan 0.000 0.540 397 P HA 0.493 nan 4.420 nan 0.000 0.267 397 P C 0.376 177.709 177.300 0.056 0.000 1.205 397 P CA 0.738 63.900 63.100 0.103 0.000 0.765 397 P CB 0.884 32.613 31.700 0.047 0.000 0.828 398 A N 3.369 126.211 122.820 0.037 0.000 2.445 398 A HA 0.477 4.797 4.320 -0.000 0.000 0.242 398 A C 1.583 179.075 177.584 -0.152 0.000 1.075 398 A CA 0.826 52.713 52.037 -0.250 0.000 0.777 398 A CB -0.938 18.006 19.000 -0.093 0.000 1.013 398 A HN 0.807 nan 8.150 nan 0.000 0.493 399 G N 0.302 108.989 108.800 -0.188 0.000 3.206 399 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 399 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 399 G C 1.115 175.966 174.900 -0.080 0.000 1.350 399 G CA 0.540 45.584 45.100 -0.093 0.000 0.836 399 G HN 0.843 nan 8.290 nan 0.000 0.548 400 L N 0.973 122.158 121.223 -0.064 0.000 2.141 400 L HA 0.125 4.465 4.340 -0.000 0.000 0.209 400 L C 0.855 177.695 176.870 -0.049 0.000 1.094 400 L CA 1.002 55.818 54.840 -0.041 0.000 0.763 400 L CB -0.279 41.769 42.059 -0.018 0.000 0.908 400 L HN 0.318 nan 8.230 nan 0.000 0.437 401 N N -1.231 117.424 118.700 -0.075 0.000 2.321 401 N HA 0.203 4.943 4.740 -0.000 0.000 0.299 401 N C -0.089 175.345 175.510 -0.127 0.000 1.048 401 N CA -0.097 52.919 53.050 -0.056 0.000 0.836 401 N CB 2.072 40.589 38.487 0.049 0.000 1.269 401 N HN -0.187 nan 8.380 nan 0.000 0.486 402 S N 0.075 115.737 115.700 -0.063 0.000 2.603 402 S HA 0.252 4.722 4.470 -0.000 0.000 0.232 402 S C 1.268 175.897 174.600 0.047 0.000 1.016 402 S CA -0.040 58.130 58.200 -0.050 0.000 0.976 402 S CB 0.513 63.639 63.200 -0.123 0.000 0.921 402 S HN 0.922 nan 8.310 nan 0.000 0.516 403 G N 2.573 111.408 108.800 0.059 0.000 2.660 403 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.321 403 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.321 403 G C 0.265 175.080 174.900 -0.142 0.000 1.246 403 G CA 0.857 45.962 45.100 0.007 0.000 1.000 403 G HN 0.462 nan 8.290 nan 0.000 0.550 404 F N 1.329 121.362 119.950 0.138 0.000 2.693 404 F HA 0.422 4.948 4.527 -0.000 0.000 0.303 404 F C 2.473 178.286 175.800 0.023 0.000 1.143 404 F CA 0.995 59.049 58.000 0.090 0.000 1.389 404 F CB 0.042 39.116 39.000 0.124 0.000 1.060 404 F HN 0.333 nan 8.300 nan 0.000 0.535 405 M N 0.003 119.573 119.600 -0.049 0.000 2.202 405 M HA -0.146 4.333 4.480 -0.000 0.000 0.262 405 M C 2.304 178.451 176.300 -0.255 0.000 1.063 405 M CA 2.178 57.155 55.300 -0.539 0.000 1.097 405 M CB -0.402 31.616 32.600 -0.969 0.000 1.382 405 M HN 0.299 nan 8.290 nan 0.000 0.413 406 G N -0.890 107.833 108.800 -0.128 0.000 2.396 406 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.214 406 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.214 406 G C 1.481 176.381 174.900 -0.000 0.000 1.166 406 G CA 0.652 45.709 45.100 -0.071 0.000 0.793 406 G HN 0.604 nan 8.290 nan 0.000 0.533 407 A N 0.096 122.955 122.820 0.066 0.000 1.933 407 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 407 A C 2.265 179.911 177.584 0.103 0.000 1.175 407 A CA 2.025 54.132 52.037 0.116 0.000 0.628 407 A CB -0.456 18.696 19.000 0.252 0.000 0.814 407 A HN 0.368 nan 8.150 nan 0.000 0.444 408 Q N 0.043 119.918 119.800 0.125 0.000 2.124 408 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 408 Q C 2.081 178.127 176.000 0.077 0.000 0.977 408 Q CA 2.029 57.905 55.803 0.122 0.000 0.850 408 Q CB -0.258 28.604 28.738 0.207 0.000 0.901 408 Q HN 0.452 nan 8.270 nan 0.000 0.429 409 V N 0.246 120.185 119.914 0.041 0.000 2.453 409 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 409 V C 2.320 178.430 176.094 0.026 0.000 1.048 409 V CA 1.946 64.260 62.300 0.025 0.000 1.049 409 V CB -0.757 31.062 31.823 -0.007 0.000 0.672 409 V HN 0.347 nan 8.190 nan 0.000 0.457 410 T N 0.474 115.045 114.554 0.027 0.000 2.788 410 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 410 T C 2.088 176.808 174.700 0.034 0.000 1.044 410 T CA 1.549 63.665 62.100 0.027 0.000 1.139 410 T CB -0.349 68.535 68.868 0.027 0.000 0.867 410 T HN 0.565 nan 8.240 nan 0.000 0.454 411 A N 1.298 124.144 122.820 0.044 0.000 1.883 411 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 411 A C 2.553 180.164 177.584 0.045 0.000 1.186 411 A CA 2.169 54.234 52.037 0.047 0.000 0.624 411 A CB -1.275 17.757 19.000 0.053 0.000 0.822 411 A HN 0.471 nan 8.150 nan 0.000 0.444 412 T N 0.302 114.882 114.554 0.043 0.000 2.746 412 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 412 T C 2.199 176.917 174.700 0.030 0.000 1.039 412 T CA 1.597 63.719 62.100 0.037 0.000 1.142 412 T CB -0.451 68.440 68.868 0.038 0.000 0.866 412 T HN 0.609 nan 8.240 nan 0.000 0.444 413 A N 1.198 124.034 122.820 0.027 0.000 1.902 413 A HA 0.026 4.345 4.320 -0.000 0.000 0.217 413 A C 2.295 179.893 177.584 0.024 0.000 1.181 413 A CA 1.149 53.199 52.037 0.022 0.000 0.623 413 A CB -0.800 18.211 19.000 0.018 0.000 0.818 413 A HN 0.480 nan 8.150 nan 0.000 0.443 414 L N -1.154 120.087 121.223 0.030 0.000 2.046 414 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 414 L C 2.550 179.441 176.870 0.036 0.000 1.077 414 L CA 1.116 55.977 54.840 0.036 0.000 0.747 414 L CB -0.542 41.543 42.059 0.044 0.000 0.896 414 L HN 0.461 nan 8.230 nan 0.000 0.432 415 L N 0.260 121.504 121.223 0.036 0.000 2.046 415 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 415 L C 2.661 179.541 176.870 0.016 0.000 1.077 415 L CA 1.959 56.815 54.840 0.026 0.000 0.747 415 L CB -0.691 41.383 42.059 0.025 0.000 0.896 415 L HN 0.137 nan 8.230 nan 0.000 0.432 416 A N -0.812 122.018 122.820 0.017 0.000 1.908 416 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 416 A C 2.339 179.931 177.584 0.013 0.000 1.181 416 A CA 1.969 54.013 52.037 0.013 0.000 0.627 416 A CB -0.786 18.222 19.000 0.014 0.000 0.818 416 A HN 0.635 nan 8.150 nan 0.000 0.445 417 E N -0.736 119.473 120.200 0.016 0.000 2.110 417 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 417 E C 2.054 178.663 176.600 0.016 0.000 0.988 417 E CA 1.252 57.661 56.400 0.016 0.000 0.804 417 E CB -0.199 29.513 29.700 0.019 0.000 0.745 417 E HN 0.674 nan 8.360 nan 0.000 0.458 418 M N 0.018 119.629 119.600 0.017 0.000 2.080 418 M HA -0.190 4.290 4.480 -0.000 0.000 0.260 418 M C 2.306 178.610 176.300 0.006 0.000 1.068 418 M CA 1.633 56.941 55.300 0.014 0.000 1.109 418 M CB -0.209 32.396 32.600 0.008 0.000 1.342 418 M HN 0.018 nan 8.290 nan 0.000 0.405 419 R N 0.032 120.533 120.500 0.002 0.000 2.241 419 R HA -0.034 4.306 4.340 -0.000 0.000 0.224 419 R C 2.156 178.460 176.300 0.007 0.000 1.101 419 R CA 1.021 57.120 56.100 -0.000 0.000 0.995 419 R CB -0.451 29.848 30.300 -0.002 0.000 0.870 419 R HN 0.379 nan 8.270 nan 0.000 0.463 420 A N 0.570 123.396 122.820 0.010 0.000 2.067 420 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 420 A C 0.842 178.436 177.584 0.016 0.000 1.158 420 A CA 0.927 52.971 52.037 0.012 0.000 0.661 420 A CB 0.096 19.102 19.000 0.010 0.000 0.801 420 A HN 0.108 nan 8.150 nan 0.000 0.452 421 T N -0.039 114.526 114.554 0.018 0.000 2.794 421 T HA 0.558 4.908 4.350 -0.000 0.000 0.280 421 T C 0.413 175.134 174.700 0.035 0.000 0.987 421 T CA 0.060 62.175 62.100 0.026 0.000 0.993 421 T CB 1.570 70.452 68.868 0.025 0.000 0.939 421 T HN 0.377 nan 8.240 nan 0.000 0.449 422 G N 2.690 111.523 108.800 0.056 0.000 2.938 422 G HA2 0.681 4.641 3.960 -0.000 0.000 0.258 422 G HA3 0.681 4.641 3.960 -0.000 0.000 0.258 422 G C -2.691 172.259 174.900 0.083 0.000 1.356 422 G CA -1.632 43.507 45.100 0.064 0.000 1.052 422 G HN 0.443 nan 8.290 nan 0.000 0.550 423 P HA 0.245 nan 4.420 nan 0.000 0.266 423 P C 0.360 177.732 177.300 0.120 0.000 1.195 423 P CA 0.402 63.543 63.100 0.068 0.000 0.768 423 P CB 1.300 33.016 31.700 0.027 0.000 0.838 424 A N 2.106 124.996 122.820 0.117 0.000 1.984 424 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 424 A C 2.077 179.741 177.584 0.134 0.000 1.173 424 A CA 1.065 53.210 52.037 0.179 0.000 0.673 424 A CB -1.042 18.029 19.000 0.117 0.000 0.830 424 A HN 0.477 nan 8.150 nan 0.000 0.453 425 S N 0.647 116.376 115.700 0.050 0.000 2.402 425 S HA -0.195 4.275 4.470 -0.000 0.000 0.233 425 S C 1.684 176.250 174.600 -0.057 0.000 1.030 425 S CA 1.614 59.820 58.200 0.010 0.000 1.003 425 S CB -0.724 62.481 63.200 0.007 0.000 0.813 425 S HN 0.792 nan 8.310 nan 0.000 0.477 426 I N -1.255 119.205 120.570 -0.183 0.000 3.444 426 I HA 0.043 4.213 4.170 -0.000 0.000 0.287 426 I C 0.655 176.529 176.117 -0.406 0.000 1.302 426 I CA 0.971 62.090 61.300 -0.303 0.000 1.368 426 I CB -0.371 37.400 38.000 -0.382 0.000 1.048 426 I HN 0.175 nan 8.210 nan 0.000 0.487 427 H N 1.237 120.318 119.070 0.019 0.000 2.550 427 H HA 0.314 4.869 4.556 -0.000 0.000 0.304 427 H C 0.612 175.952 175.328 0.020 0.000 1.086 427 H CA -0.238 55.821 56.048 0.018 0.000 1.089 427 H CB 0.100 29.873 29.762 0.018 0.000 1.528 427 H HN 0.294 nan 8.280 nan 0.000 0.539 428 S N 1.289 117.030 115.700 0.069 0.000 2.552 428 S HA 0.192 4.662 4.470 -0.000 0.000 0.289 428 S C 0.282 174.919 174.600 0.062 0.000 1.304 428 S CA -0.190 58.046 58.200 0.061 0.000 1.063 428 S CB 0.002 63.223 63.200 0.036 0.000 0.848 428 S HN 0.307 nan 8.310 nan 0.000 0.499 429 I N 3.349 123.954 120.570 0.060 0.000 2.569 429 I HA 0.213 4.383 4.170 -0.000 0.000 0.290 429 I C 0.072 176.215 176.117 0.044 0.000 1.088 429 I CA -0.658 60.672 61.300 0.051 0.000 1.047 429 I CB 2.115 40.146 38.000 0.052 0.000 1.237 429 I HN 0.568 nan 8.210 nan 0.000 0.421 430 S N 3.943 119.666 115.700 0.038 0.000 2.537 430 S HA 0.274 4.744 4.470 -0.000 0.000 0.286 430 S C -0.197 174.424 174.600 0.035 0.000 1.299 430 S CA 0.467 58.688 58.200 0.036 0.000 1.067 430 S CB 0.321 63.539 63.200 0.030 0.000 0.864 430 S HN 0.784 nan 8.310 nan 0.000 0.494 431 T N 2.983 117.560 114.554 0.037 0.000 2.681 431 T HA 0.410 4.760 4.350 -0.000 0.000 0.296 431 T C -0.390 174.333 174.700 0.037 0.000 1.157 431 T CA -0.081 62.041 62.100 0.036 0.000 1.025 431 T CB 0.778 69.669 68.868 0.038 0.000 1.441 431 T HN 0.915 nan 8.240 nan 0.000 0.504 432 N N 0.603 119.325 118.700 0.038 0.000 2.756 432 N HA -0.211 4.529 4.740 -0.000 0.000 0.248 432 N C 0.253 175.783 175.510 0.035 0.000 1.062 432 N CA 0.803 53.877 53.050 0.041 0.000 0.696 432 N CB -1.195 37.321 38.487 0.048 0.000 0.946 432 N HN 1.614 nan 8.380 nan 0.000 0.548 433 A N -0.821 122.016 122.820 0.027 0.000 2.791 433 A HA 0.019 4.339 4.320 -0.000 0.000 0.292 433 A C 1.337 178.936 177.584 0.026 0.000 1.487 433 A CA 2.000 54.051 52.037 0.023 0.000 0.760 433 A CB -2.293 16.719 19.000 0.019 0.000 1.031 433 A HN 2.221 nan 8.150 nan 0.000 0.503 434 A N -2.233 120.604 122.820 0.028 0.000 3.413 434 A HA -0.375 3.945 4.320 -0.000 0.000 0.268 434 A C 1.431 179.034 177.584 0.033 0.000 1.128 434 A CA 2.113 54.167 52.037 0.029 0.000 1.062 434 A CB -2.532 16.482 19.000 0.024 0.000 1.121 434 A HN 2.236 nan 8.150 nan 0.000 0.895 435 N N -0.040 118.682 118.700 0.037 0.000 2.142 435 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 435 N C 1.000 176.539 175.510 0.048 0.000 1.023 435 N CA 1.887 54.962 53.050 0.042 0.000 0.852 435 N CB -0.159 38.356 38.487 0.048 0.000 0.998 435 N HN 0.760 nan 8.380 nan 0.000 0.424 436 Q N 0.452 120.281 119.800 0.048 0.000 3.008 436 Q HA 0.069 4.409 4.340 -0.000 0.000 0.307 436 Q C -0.430 175.601 176.000 0.053 0.000 1.273 436 Q CA -0.291 55.546 55.803 0.058 0.000 1.091 436 Q CB 0.578 29.346 28.738 0.050 0.000 1.393 436 Q HN 0.503 nan 8.270 nan 0.000 0.521 437 D N -0.476 119.953 120.400 0.049 0.000 2.348 437 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 437 D C 0.661 176.986 176.300 0.041 0.000 0.970 437 D CA 0.420 54.444 54.000 0.040 0.000 0.889 437 D CB 0.093 40.913 40.800 0.033 0.000 0.912 437 D HN 0.201 nan 8.370 nan 0.000 0.524 438 V N -1.791 118.153 119.914 0.050 0.000 2.686 438 V HA 0.748 4.868 4.120 -0.000 0.000 0.306 438 V C -0.437 175.695 176.094 0.064 0.000 1.065 438 V CA -1.195 61.133 62.300 0.047 0.000 0.894 438 V CB 1.867 33.713 31.823 0.038 0.000 1.004 438 V HN 0.104 nan 8.190 nan 0.000 0.424 439 V N 1.113 121.063 119.914 0.060 0.000 2.962 439 V HA 0.783 4.903 4.120 -0.000 0.000 0.313 439 V C 1.035 177.166 176.094 0.062 0.000 1.099 439 V CA 0.272 62.614 62.300 0.072 0.000 0.971 439 V CB 1.464 33.327 31.823 0.067 0.000 1.028 439 V HN 1.311 nan 8.190 nan 0.000 0.430 440 S N 2.446 118.187 115.700 0.068 0.000 2.425 440 S HA 0.105 4.575 4.470 -0.000 0.000 0.225 440 S C 1.134 175.767 174.600 0.054 0.000 1.024 440 S CA 1.077 59.310 58.200 0.054 0.000 0.951 440 S CB -0.843 62.391 63.200 0.057 0.000 0.796 440 S HN 1.410 nan 8.310 nan 0.000 0.498 441 L N 0.361 121.620 121.223 0.060 0.000 4.040 441 L HA -0.195 4.145 4.340 -0.000 0.000 0.410 441 L C 1.509 178.413 176.870 0.056 0.000 1.187 441 L CA 0.004 54.881 54.840 0.062 0.000 0.956 441 L CB -2.325 39.781 42.059 0.077 0.000 2.022 441 L HN 0.525 nan 8.230 nan 0.000 0.897 442 G N -0.221 108.609 108.800 0.051 0.000 2.442 442 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 442 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 442 G C 1.288 176.214 174.900 0.044 0.000 1.141 442 G CA 1.440 46.567 45.100 0.045 0.000 0.763 442 G HN 0.481 nan 8.290 nan 0.000 0.554 443 T N 1.295 115.874 114.554 0.041 0.000 2.777 443 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 443 T C 2.380 177.103 174.700 0.039 0.000 1.040 443 T CA 0.986 63.107 62.100 0.035 0.000 1.141 443 T CB -0.135 68.749 68.868 0.028 0.000 0.868 443 T HN 0.276 nan 8.240 nan 0.000 0.444 444 I N 1.609 122.204 120.570 0.042 0.000 2.252 444 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 444 I C 3.011 179.159 176.117 0.052 0.000 1.102 444 I CA 1.005 62.331 61.300 0.043 0.000 1.385 444 I CB -0.527 37.501 38.000 0.047 0.000 1.064 444 I HN 0.214 nan 8.210 nan 0.000 0.414 445 A N 0.852 123.707 122.820 0.058 0.000 1.877 445 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 445 A C 2.548 180.171 177.584 0.065 0.000 1.186 445 A CA 1.969 54.044 52.037 0.064 0.000 0.620 445 A CB -0.872 18.166 19.000 0.063 0.000 0.822 445 A HN 0.425 nan 8.150 nan 0.000 0.443 446 A N -0.420 122.438 122.820 0.065 0.000 1.930 446 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 446 A C 2.241 179.864 177.584 0.066 0.000 1.175 446 A CA 1.474 53.556 52.037 0.075 0.000 0.627 446 A CB -0.424 18.619 19.000 0.071 0.000 0.815 446 A HN 0.550 nan 8.150 nan 0.000 0.443 447 R N -0.540 119.992 120.500 0.054 0.000 2.092 447 R HA 0.034 4.374 4.340 -0.000 0.000 0.231 447 R C 1.958 178.287 176.300 0.049 0.000 1.119 447 R CA 1.243 57.371 56.100 0.048 0.000 0.970 447 R CB -0.417 29.905 30.300 0.036 0.000 0.864 447 R HN 0.495 nan 8.270 nan 0.000 0.440 448 L N -0.306 120.946 121.223 0.049 0.000 2.093 448 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 448 L C 2.732 179.632 176.870 0.050 0.000 1.085 448 L CA 0.713 55.581 54.840 0.046 0.000 0.755 448 L CB -0.510 41.578 42.059 0.048 0.000 0.904 448 L HN 0.368 nan 8.230 nan 0.000 0.435 449 C N 0.440 119.773 119.300 0.055 0.000 2.429 449 C HA -0.165 4.295 4.460 -0.000 0.000 0.277 449 C C 3.105 178.134 174.990 0.066 0.000 1.262 449 C CA 0.950 60.000 59.018 0.054 0.000 1.733 449 C CB -0.545 27.228 27.740 0.055 0.000 2.010 449 C HN 0.498 nan 8.230 nan 0.000 0.483 450 R N 1.263 121.805 120.500 0.070 0.000 2.091 450 R HA -0.082 4.258 4.340 -0.000 0.000 0.238 450 R C 2.100 178.447 176.300 0.079 0.000 1.136 450 R CA 2.015 58.162 56.100 0.079 0.000 0.959 450 R CB -0.830 29.514 30.300 0.074 0.000 0.856 450 R HN 0.534 nan 8.270 nan 0.000 0.437 451 E N 0.723 120.962 120.200 0.065 0.000 2.110 451 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 451 E C 1.827 178.470 176.600 0.072 0.000 0.988 451 E CA 1.337 57.774 56.400 0.061 0.000 0.804 451 E CB -0.089 29.639 29.700 0.047 0.000 0.745 451 E HN 0.445 nan 8.360 nan 0.000 0.458 452 K N 0.278 120.721 120.400 0.073 0.000 2.097 452 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 452 K C 2.297 178.986 176.600 0.148 0.000 1.050 452 K CA 0.732 57.066 56.287 0.080 0.000 0.938 452 K CB -0.091 32.434 32.500 0.042 0.000 0.718 452 K HN 0.094 nan 8.250 nan 0.000 0.442 453 I N 1.452 122.123 120.570 0.168 0.000 2.286 453 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 453 I C 1.546 177.785 176.117 0.203 0.000 1.115 453 I CA 1.140 62.598 61.300 0.263 0.000 1.392 453 I CB -0.233 37.890 38.000 0.204 0.000 1.065 453 I HN 0.134 nan 8.210 nan 0.000 0.418 454 D N 0.563 121.041 120.400 0.129 0.000 2.144 454 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 454 D C 2.336 178.688 176.300 0.088 0.000 0.978 454 D CA 0.881 54.932 54.000 0.085 0.000 0.833 454 D CB -0.166 40.673 40.800 0.065 0.000 0.961 454 D HN 0.162 nan 8.370 nan 0.000 0.470 455 R N -0.149 120.419 120.500 0.114 0.000 2.092 455 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 455 R C 2.125 178.532 176.300 0.178 0.000 1.119 455 R CA 0.448 56.615 56.100 0.111 0.000 0.970 455 R CB -1.020 29.337 30.300 0.095 0.000 0.864 455 R HN 0.341 nan 8.270 nan 0.000 0.440 456 W N 1.914 123.214 121.300 -0.001 0.000 2.358 456 W HA -0.089 4.571 4.660 -0.000 0.000 0.303 456 W C 2.119 178.627 176.519 -0.018 0.000 1.208 456 W CA 1.440 58.785 57.345 -0.001 0.000 1.274 456 W CB -0.687 28.780 29.460 0.011 0.000 1.138 456 W HN 0.136 nan 8.180 nan 0.000 0.515 457 A N 0.206 123.019 122.820 -0.012 0.000 1.940 457 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 457 A C 1.857 179.349 177.584 -0.152 0.000 1.176 457 A CA 2.023 53.937 52.037 -0.205 0.000 0.631 457 A CB -0.757 18.151 19.000 -0.154 0.000 0.814 457 A HN 0.491 nan 8.150 nan 0.000 0.446 458 E N -0.460 119.711 120.200 -0.048 0.000 2.107 458 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 458 E C 1.814 178.396 176.600 -0.030 0.000 0.982 458 E CA 0.993 57.367 56.400 -0.043 0.000 0.809 458 E CB -0.215 29.484 29.700 -0.002 0.000 0.756 458 E HN 0.707 nan 8.360 nan 0.000 0.459 459 I N 0.853 121.441 120.570 0.029 0.000 2.252 459 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 459 I C 2.214 178.338 176.117 0.011 0.000 1.102 459 I CA 0.900 62.233 61.300 0.056 0.000 1.385 459 I CB -0.115 37.973 38.000 0.147 0.000 1.064 459 I HN 0.105 nan 8.210 nan 0.000 0.414 460 L N 0.494 121.694 121.223 -0.038 0.000 2.083 460 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 460 L C 2.839 179.595 176.870 -0.190 0.000 1.083 460 L CA 1.206 55.977 54.840 -0.115 0.000 0.752 460 L CB -0.663 41.234 42.059 -0.270 0.000 0.899 460 L HN 0.237 nan 8.230 nan 0.000 0.433 461 A N 0.372 123.051 122.820 -0.236 0.000 1.902 461 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 461 A C 2.210 179.671 177.584 -0.205 0.000 1.181 461 A CA 1.520 53.386 52.037 -0.285 0.000 0.623 461 A CB -0.624 18.218 19.000 -0.264 0.000 0.818 461 A HN 0.342 nan 8.150 nan 0.000 0.443 462 I N -0.845 119.653 120.570 -0.121 0.000 2.179 462 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 462 I C 2.446 178.488 176.117 -0.124 0.000 1.088 462 I CA 1.342 62.595 61.300 -0.078 0.000 1.357 462 I CB -0.312 37.678 38.000 -0.015 0.000 1.051 462 I HN 0.409 nan 8.210 nan 0.000 0.409 463 L N 1.276 122.444 121.223 -0.092 0.000 2.042 463 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 463 L C 2.535 179.341 176.870 -0.108 0.000 1.076 463 L CA 2.153 56.943 54.840 -0.084 0.000 0.749 463 L CB -0.798 41.253 42.059 -0.014 0.000 0.893 463 L HN 0.192 nan 8.230 nan 0.000 0.432 464 A N -0.496 122.257 122.820 -0.111 0.000 1.877 464 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 464 A C 2.266 179.777 177.584 -0.121 0.000 1.186 464 A CA 1.997 53.984 52.037 -0.084 0.000 0.620 464 A CB -0.905 18.006 19.000 -0.148 0.000 0.822 464 A HN 0.509 nan 8.150 nan 0.000 0.443 465 L N -0.899 120.215 121.223 -0.183 0.000 2.083 465 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 465 L C 2.721 179.391 176.870 -0.335 0.000 1.083 465 L CA 1.202 55.952 54.840 -0.150 0.000 0.752 465 L CB -0.700 41.334 42.059 -0.041 0.000 0.899 465 L HN 0.490 nan 8.230 nan 0.000 0.433 466 C N -0.217 118.735 119.300 -0.580 0.000 2.429 466 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 466 C C 2.746 177.525 174.990 -0.351 0.000 1.262 466 C CA 0.481 59.011 59.018 -0.813 0.000 1.733 466 C CB -0.724 26.669 27.740 -0.579 0.000 2.010 466 C HN 0.431 nan 8.230 nan 0.000 0.483 467 L N 0.810 121.922 121.223 -0.184 0.000 2.141 467 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 467 L C 2.829 179.682 176.870 -0.027 0.000 1.094 467 L CA 1.357 56.155 54.840 -0.070 0.000 0.763 467 L CB -0.623 41.428 42.059 -0.014 0.000 0.908 467 L HN 0.333 nan 8.230 nan 0.000 0.437 468 A N -0.352 122.457 122.820 -0.018 0.000 1.902 468 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 468 A C 2.205 179.819 177.584 0.049 0.000 1.181 468 A CA 1.873 53.932 52.037 0.036 0.000 0.623 468 A CB -0.453 18.585 19.000 0.063 0.000 0.818 468 A HN 0.419 nan 8.150 nan 0.000 0.443 469 Q N -0.366 119.464 119.800 0.051 0.000 2.079 469 Q HA 0.027 4.367 4.340 -0.000 0.000 0.200 469 Q C 2.059 178.095 176.000 0.059 0.000 0.974 469 Q CA 1.916 57.786 55.803 0.111 0.000 0.840 469 Q CB -0.481 28.419 28.738 0.270 0.000 0.898 469 Q HN 0.536 nan 8.270 nan 0.000 0.430 470 A N 0.460 123.286 122.820 0.009 0.000 1.933 470 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 470 A C 2.299 179.890 177.584 0.012 0.000 1.175 470 A CA 1.752 53.791 52.037 0.003 0.000 0.628 470 A CB -1.186 17.800 19.000 -0.023 0.000 0.814 470 A HN 0.547 nan 8.150 nan 0.000 0.444 471 A N -0.148 122.682 122.820 0.017 0.000 1.933 471 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 471 A C 1.912 179.511 177.584 0.024 0.000 1.175 471 A CA 1.677 53.727 52.037 0.022 0.000 0.628 471 A CB -0.477 18.541 19.000 0.030 0.000 0.814 471 A HN 0.655 nan 8.150 nan 0.000 0.444 472 E N -0.358 119.861 120.200 0.032 0.000 2.158 472 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 472 E C 1.869 178.482 176.600 0.022 0.000 0.982 472 E CA 0.696 57.115 56.400 0.031 0.000 0.823 472 E CB -0.191 29.534 29.700 0.043 0.000 0.766 472 E HN 0.603 nan 8.360 nan 0.000 0.468 473 L N 0.419 121.654 121.223 0.021 0.000 2.109 473 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 473 L C 2.597 179.469 176.870 0.002 0.000 1.086 473 L CA 0.816 55.660 54.840 0.007 0.000 0.760 473 L CB -0.081 41.979 42.059 0.003 0.000 0.910 473 L HN 0.008 nan 8.230 nan 0.000 0.437 474 R N -0.402 120.101 120.500 0.005 0.000 2.080 474 R HA -0.025 4.315 4.340 -0.000 0.000 0.222 474 R C 1.771 178.073 176.300 0.005 0.000 1.107 474 R CA 1.484 57.586 56.100 0.003 0.000 0.980 474 R CB -0.317 29.984 30.300 0.003 0.000 0.879 474 R HN 0.323 nan 8.270 nan 0.000 0.439 475 C N 0.111 119.416 119.300 0.009 0.000 3.183 475 C HA 0.657 5.117 4.460 -0.000 0.000 0.285 475 C C 0.614 175.610 174.990 0.011 0.000 1.313 475 C CA -0.304 58.720 59.018 0.009 0.000 1.711 475 C CB -0.671 27.076 27.740 0.012 0.000 2.135 475 C HN 0.729 nan 8.230 nan 0.000 0.651 476 G N 1.696 110.503 108.800 0.012 0.000 2.758 476 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 476 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 476 G C 0.721 175.632 174.900 0.018 0.000 1.389 476 G CA 0.105 45.213 45.100 0.013 0.000 0.845 476 G HN 0.780 nan 8.290 nan 0.000 0.572 477 S N -0.617 115.094 115.700 0.019 0.000 2.419 477 S HA 0.020 4.490 4.470 -0.000 0.000 0.235 477 S C 2.398 177.011 174.600 0.022 0.000 1.019 477 S CA 1.984 60.198 58.200 0.023 0.000 0.982 477 S CB -0.266 62.947 63.200 0.021 0.000 0.789 477 S HN 2.210 nan 8.310 nan 0.000 0.490 478 G N 0.764 109.575 108.800 0.017 0.000 2.920 478 G HA2 0.360 4.319 3.960 -0.000 0.000 0.208 478 G HA3 0.360 4.319 3.960 -0.000 0.000 0.208 478 G C 0.526 175.436 174.900 0.017 0.000 1.159 478 G CA -0.083 45.027 45.100 0.016 0.000 0.784 478 G HN 0.616 nan 8.290 nan 0.000 0.535 479 L N 0.984 122.218 121.223 0.018 0.000 3.677 479 L HA -0.148 4.192 4.340 -0.000 0.000 0.464 479 L C -0.826 176.052 176.870 0.015 0.000 1.278 479 L CA -0.124 54.727 54.840 0.019 0.000 0.806 479 L CB -1.675 40.397 42.059 0.023 0.000 1.610 479 L HN 0.222 nan 8.230 nan 0.000 0.867 480 D N 1.339 121.746 120.400 0.012 0.000 2.458 480 D HA 0.272 4.912 4.640 -0.000 0.000 0.243 480 D C 1.363 177.667 176.300 0.007 0.000 1.146 480 D CA 1.370 55.376 54.000 0.009 0.000 0.877 480 D CB 1.317 42.121 40.800 0.007 0.000 1.176 480 D HN 0.554 nan 8.370 nan 0.000 0.461 481 G N 1.479 110.283 108.800 0.006 0.000 2.234 481 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 481 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 481 G C 0.483 175.386 174.900 0.006 0.000 0.987 481 G CA 0.135 45.237 45.100 0.003 0.000 0.625 481 G HN 0.518 nan 8.290 nan 0.000 0.532 482 V N 2.637 122.557 119.914 0.011 0.000 2.637 482 V HA 0.478 4.598 4.120 -0.000 0.000 0.296 482 V C 1.489 177.593 176.094 0.016 0.000 1.046 482 V CA 0.176 62.486 62.300 0.016 0.000 1.066 482 V CB 1.336 33.171 31.823 0.020 0.000 0.968 482 V HN 1.075 nan 8.190 nan 0.000 0.483 483 S N 5.333 121.045 115.700 0.020 0.000 2.569 483 S HA 0.108 4.578 4.470 -0.000 0.000 0.274 483 S C -1.664 172.945 174.600 0.015 0.000 1.353 483 S CA -0.584 57.627 58.200 0.018 0.000 1.023 483 S CB 0.446 63.663 63.200 0.027 0.000 0.876 483 S HN 0.580 nan 8.310 nan 0.000 0.540 484 P HA -0.078 nan 4.420 nan 0.000 0.215 484 P C 1.677 178.980 177.300 0.004 0.000 1.153 484 P CA 2.022 65.127 63.100 0.008 0.000 0.853 484 P CB -0.267 31.435 31.700 0.005 0.000 0.788 485 A N -0.292 122.528 122.820 0.001 0.000 1.902 485 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 485 A C 2.492 180.072 177.584 -0.006 0.000 1.181 485 A CA 2.125 54.155 52.037 -0.012 0.000 0.623 485 A CB -1.884 17.105 19.000 -0.019 0.000 0.818 485 A HN 0.280 nan 8.150 nan 0.000 0.443 486 G N -0.410 108.397 108.800 0.011 0.000 2.418 486 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.217 486 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.217 486 G C 1.681 176.598 174.900 0.028 0.000 1.158 486 G CA 1.092 46.206 45.100 0.023 0.000 0.771 486 G HN 0.572 nan 8.290 nan 0.000 0.545 487 K N 0.215 120.630 120.400 0.024 0.000 2.026 487 K HA -0.058 4.261 4.320 -0.000 0.000 0.208 487 K C 2.436 179.054 176.600 0.029 0.000 1.048 487 K CA 1.312 57.615 56.287 0.027 0.000 0.929 487 K CB -0.143 32.370 32.500 0.021 0.000 0.713 487 K HN 0.245 nan 8.250 nan 0.000 0.439 488 K N 1.360 121.772 120.400 0.020 0.000 2.097 488 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 488 K C 2.144 178.765 176.600 0.035 0.000 1.049 488 K CA 1.011 57.311 56.287 0.020 0.000 0.933 488 K CB -0.069 32.433 32.500 0.004 0.000 0.717 488 K HN 0.119 nan 8.250 nan 0.000 0.442 489 L N 0.557 121.799 121.223 0.032 0.000 2.027 489 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 489 L C 2.074 179.011 176.870 0.111 0.000 1.074 489 L CA 1.028 55.907 54.840 0.064 0.000 0.745 489 L CB -0.145 41.937 42.059 0.038 0.000 0.898 489 L HN 0.006 nan 8.230 nan 0.000 0.433 490 V N 0.126 120.092 119.914 0.087 0.000 2.343 490 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 490 V C 2.485 178.633 176.094 0.089 0.000 1.051 490 V CA 2.096 64.450 62.300 0.091 0.000 1.036 490 V CB -0.706 31.158 31.823 0.068 0.000 0.654 490 V HN 0.563 nan 8.190 nan 0.000 0.451 491 Q N 0.005 119.846 119.800 0.069 0.000 2.124 491 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 491 Q C 2.397 178.438 176.000 0.068 0.000 0.977 491 Q CA 1.707 57.546 55.803 0.059 0.000 0.850 491 Q CB -0.434 28.329 28.738 0.042 0.000 0.901 491 Q HN 0.675 nan 8.270 nan 0.000 0.429 492 A N 0.916 123.786 122.820 0.083 0.000 1.930 492 A HA -0.123 4.196 4.320 -0.000 0.000 0.217 492 A C 2.066 179.722 177.584 0.120 0.000 1.175 492 A CA 0.959 53.052 52.037 0.092 0.000 0.627 492 A CB -0.539 18.530 19.000 0.115 0.000 0.815 492 A HN 0.267 nan 8.150 nan 0.000 0.443 493 L N -1.112 120.213 121.223 0.170 0.000 2.056 493 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 493 L C 2.622 179.640 176.870 0.247 0.000 1.078 493 L CA 0.847 55.837 54.840 0.251 0.000 0.749 493 L CB -0.416 41.770 42.059 0.212 0.000 0.901 493 L HN 0.249 nan 8.230 nan 0.000 0.433 494 R N 0.172 120.763 120.500 0.152 0.000 2.293 494 R HA -0.106 4.234 4.340 -0.000 0.000 0.219 494 R C 1.850 178.177 176.300 0.044 0.000 1.091 494 R CA 0.615 56.781 56.100 0.109 0.000 1.004 494 R CB -0.326 30.023 30.300 0.082 0.000 0.865 494 R HN 0.443 nan 8.270 nan 0.000 0.469 495 E N 0.221 120.435 120.200 0.024 0.000 2.208 495 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 495 E C 1.353 177.885 176.600 -0.114 0.000 0.988 495 E CA 0.885 57.266 56.400 -0.031 0.000 0.828 495 E CB 0.377 30.062 29.700 -0.024 0.000 0.763 495 E HN 0.313 nan 8.360 nan 0.000 0.478 496 Q N -1.295 118.387 119.800 -0.196 0.000 2.322 496 Q HA 0.146 4.486 4.340 -0.000 0.000 0.250 496 Q C -0.221 175.304 176.000 -0.791 0.000 0.853 496 Q CA 0.167 55.653 55.803 -0.529 0.000 0.951 496 Q CB 0.790 29.071 28.738 -0.762 0.000 1.114 496 Q HN 0.091 nan 8.270 nan 0.000 0.523 497 F N 3.295 123.239 119.950 -0.011 0.000 2.513 497 F HA 0.394 4.921 4.527 -0.000 0.000 0.358 497 F C -2.077 173.737 175.800 0.024 0.000 1.118 497 F CA -2.497 55.507 58.000 0.007 0.000 1.037 497 F CB 1.484 40.492 39.000 0.013 0.000 1.276 497 F HN -0.165 nan 8.300 nan 0.000 0.446 498 P HA 0.146 nan 4.420 nan 0.000 0.272 498 P C -2.537 174.835 177.300 0.120 0.000 1.230 498 P CA -1.131 62.024 63.100 0.092 0.000 0.788 498 P CB 0.355 32.082 31.700 0.046 0.000 0.949 499 P HA 0.080 nan 4.420 nan 0.000 0.270 499 P C -0.316 177.030 177.300 0.078 0.000 1.223 499 P CA -0.232 62.931 63.100 0.104 0.000 0.785 499 P CB 0.438 32.185 31.700 0.079 0.000 0.923 500 L N 2.100 123.371 121.223 0.079 0.000 2.389 500 L HA 0.156 4.496 4.340 -0.000 0.000 0.265 500 L C 1.274 178.144 176.870 0.000 0.000 1.167 500 L CA 0.418 55.250 54.840 -0.013 0.000 1.045 500 L CB -0.860 41.096 42.059 -0.173 0.000 1.351 500 L HN 0.302 nan 8.230 nan 0.000 0.419 501 E N 0.775 120.980 120.200 0.008 0.000 2.358 501 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 501 E C 0.202 176.809 176.600 0.012 0.000 1.010 501 E CA 0.448 56.857 56.400 0.015 0.000 0.856 501 E CB 0.372 30.082 29.700 0.016 0.000 0.795 501 E HN 0.561 nan 8.360 nan 0.000 0.504 502 T N 0.248 114.798 114.554 -0.007 0.000 2.942 502 T HA 0.076 4.426 4.350 -0.000 0.000 0.327 502 T C -1.873 172.803 174.700 -0.041 0.000 1.360 502 T CA -0.995 61.100 62.100 -0.008 0.000 1.055 502 T CB 1.305 70.171 68.868 -0.002 0.000 1.261 502 T HN -0.216 nan 8.240 nan 0.000 0.485 503 D N 3.186 123.559 120.400 -0.045 0.000 2.533 503 D HA 0.286 4.926 4.640 -0.000 0.000 0.236 503 D C 0.619 176.878 176.300 -0.069 0.000 1.137 503 D CA 0.725 54.679 54.000 -0.077 0.000 0.867 503 D CB 0.323 41.084 40.800 -0.065 0.000 1.170 503 D HN 0.681 nan 8.370 nan 0.000 0.474 504 R N 0.680 121.127 120.500 -0.088 0.000 2.710 504 R HA 0.632 4.972 4.340 -0.000 0.000 0.270 504 R C -3.134 173.131 176.300 -0.058 0.000 1.021 504 R CA -1.760 54.305 56.100 -0.059 0.000 0.889 504 R CB 0.346 30.621 30.300 -0.043 0.000 1.243 504 R HN -0.024 nan 8.270 nan 0.000 0.464 505 P HA 0.112 nan 4.420 nan 0.000 0.267 505 P C -0.287 177.007 177.300 -0.009 0.000 1.209 505 P CA -0.142 62.945 63.100 -0.022 0.000 0.763 505 P CB 0.565 32.259 31.700 -0.011 0.000 0.816 506 L N 1.848 123.066 121.223 -0.007 0.000 2.638 506 L HA 0.152 4.492 4.340 -0.000 0.000 0.232 506 L C 2.330 179.219 176.870 0.032 0.000 1.099 506 L CA 0.425 55.276 54.840 0.020 0.000 0.883 506 L CB -0.356 41.716 42.059 0.021 0.000 1.136 506 L HN 0.530 nan 8.230 nan 0.000 0.492 507 G N 0.288 109.100 108.800 0.020 0.000 2.553 507 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 507 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 507 G C 1.387 176.304 174.900 0.028 0.000 1.195 507 G CA 0.785 45.897 45.100 0.020 0.000 0.779 507 G HN 0.376 nan 8.290 nan 0.000 0.577 508 Q N -0.097 119.725 119.800 0.036 0.000 2.124 508 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 508 Q C 2.534 178.586 176.000 0.087 0.000 0.977 508 Q CA 1.351 57.183 55.803 0.049 0.000 0.850 508 Q CB -0.140 28.623 28.738 0.043 0.000 0.901 508 Q HN 0.640 nan 8.270 nan 0.000 0.429 509 E N 0.552 120.821 120.200 0.115 0.000 2.072 509 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 509 E C 1.991 178.619 176.600 0.048 0.000 0.985 509 E CA 0.758 57.287 56.400 0.215 0.000 0.801 509 E CB -0.034 29.814 29.700 0.247 0.000 0.750 509 E HN 0.343 nan 8.360 nan 0.000 0.452 510 I N 1.072 121.638 120.570 -0.007 0.000 2.179 510 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 510 I C 2.564 178.649 176.117 -0.053 0.000 1.088 510 I CA 1.050 62.311 61.300 -0.066 0.000 1.357 510 I CB -0.338 37.648 38.000 -0.025 0.000 1.051 510 I HN 0.095 nan 8.210 nan 0.000 0.409 511 A N 0.693 123.510 122.820 -0.004 0.000 1.902 511 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 511 A C 2.527 180.123 177.584 0.020 0.000 1.181 511 A CA 1.933 53.973 52.037 0.005 0.000 0.623 511 A CB -0.844 18.167 19.000 0.019 0.000 0.818 511 A HN 0.448 nan 8.150 nan 0.000 0.443 512 A N -0.687 122.175 122.820 0.068 0.000 1.898 512 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 512 A C 2.120 179.783 177.584 0.133 0.000 1.181 512 A CA 1.694 53.805 52.037 0.124 0.000 0.620 512 A CB -0.559 18.566 19.000 0.208 0.000 0.819 512 A HN 0.669 nan 8.150 nan 0.000 0.442 513 L N -0.220 121.023 121.223 0.033 0.000 2.056 513 L HA 0.010 4.350 4.340 -0.000 0.000 0.207 513 L C 2.639 179.421 176.870 -0.148 0.000 1.078 513 L CA 2.042 56.803 54.840 -0.133 0.000 0.749 513 L CB -0.897 40.820 42.059 -0.570 0.000 0.901 513 L HN 0.335 nan 8.230 nan 0.000 0.433 514 A N -1.404 121.327 122.820 -0.148 0.000 1.908 514 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 514 A C 2.275 179.796 177.584 -0.104 0.000 1.181 514 A CA 2.446 54.389 52.037 -0.156 0.000 0.627 514 A CB -1.295 17.646 19.000 -0.099 0.000 0.818 514 A HN 0.512 nan 8.150 nan 0.000 0.445 515 T N -1.464 113.074 114.554 -0.028 0.000 2.720 515 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 515 T C 1.865 176.572 174.700 0.012 0.000 1.037 515 T CA 1.961 64.065 62.100 0.007 0.000 1.144 515 T CB -0.401 68.493 68.868 0.042 0.000 0.864 515 T HN 0.805 nan 8.240 nan 0.000 0.444 516 H N 1.078 120.108 119.070 -0.067 0.000 2.326 516 H HA 0.111 4.667 4.556 -0.000 0.000 0.301 516 H C 2.025 177.280 175.328 -0.123 0.000 1.081 516 H CA 1.224 57.237 56.048 -0.058 0.000 1.334 516 H CB -0.512 29.241 29.762 -0.016 0.000 1.385 516 H HN 0.239 nan 8.280 nan 0.000 0.504 517 L N -0.051 120.973 121.223 -0.331 0.000 2.079 517 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 517 L C 2.346 179.046 176.870 -0.282 0.000 1.081 517 L CA 1.067 55.567 54.840 -0.567 0.000 0.752 517 L CB -0.519 41.032 42.059 -0.846 0.000 0.896 517 L HN 0.333 nan 8.230 nan 0.000 0.433 518 L N -0.754 120.349 121.223 -0.200 0.000 2.275 518 L HA -0.168 4.171 4.340 -0.000 0.000 0.215 518 L C 2.219 179.052 176.870 -0.063 0.000 1.119 518 L CA 1.025 55.815 54.840 -0.082 0.000 0.790 518 L CB -0.207 41.837 42.059 -0.025 0.000 0.919 518 L HN 0.395 nan 8.230 nan 0.000 0.443 519 Q N -1.558 118.117 119.800 -0.208 0.000 2.280 519 Q HA 0.200 4.540 4.340 -0.000 0.000 0.228 519 Q C -0.031 175.533 176.000 -0.728 0.000 0.857 519 Q CA 0.068 55.710 55.803 -0.268 0.000 0.939 519 Q CB 1.004 29.698 28.738 -0.074 0.000 1.114 519 Q HN 0.444 nan 8.270 nan 0.000 0.514 520 Q N -0.058 119.275 119.800 -0.779 0.000 2.379 520 Q HA 0.474 4.814 4.340 -0.000 0.000 0.278 520 Q C -1.232 174.647 176.000 -0.202 0.000 1.068 520 Q CA -0.438 54.985 55.803 -0.633 0.000 0.816 520 Q CB 2.656 31.158 28.738 -0.393 0.000 1.387 520 Q HN -0.060 nan 8.270 nan 0.000 0.413 521 S N 1.905 117.564 115.700 -0.068 0.000 2.687 521 S HA 0.561 5.031 4.470 -0.000 0.000 0.283 521 S C -2.401 171.975 174.600 -0.374 0.000 1.170 521 S CA -1.136 56.960 58.200 -0.174 0.000 1.008 521 S CB 0.877 64.024 63.200 -0.087 0.000 1.026 521 S HN 0.417 nan 8.310 nan 0.000 0.541 522 P HA 0.380 nan 4.420 nan 0.000 0.284 522 P C -1.092 176.006 177.300 -0.338 0.000 1.343 522 P CA -0.039 62.645 63.100 -0.694 0.000 0.826 522 P CB 0.317 31.315 31.700 -1.170 0.000 0.956 523 V N 0.000 119.813 119.914 -0.168 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.239 62.300 -0.102 0.000 1.235 523 V CB 0.000 31.779 31.823 -0.074 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556