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 2o78_1_C 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 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.513 32.500 0.022 0.000 1.064 9 P HA 0.213 nan 4.420 nan 0.000 0.269 9 P C -1.479 175.829 177.300 0.014 0.000 1.217 9 P CA -0.472 62.639 63.100 0.018 0.000 0.783 9 P CB 0.844 32.558 31.700 0.023 0.000 0.898 10 A N 1.185 124.012 122.820 0.011 0.000 2.371 10 A HA 0.550 4.872 4.320 0.003 0.000 0.311 10 A C -0.993 176.594 177.584 0.006 0.000 1.068 10 A CA -0.593 51.448 52.037 0.007 0.000 0.744 10 A CB 1.207 20.210 19.000 0.005 0.000 1.239 10 A HN 0.325 nan 8.150 nan 0.000 0.435 11 V N 2.503 122.417 119.914 0.000 0.000 2.350 11 V HA 0.281 4.403 4.120 0.003 0.000 0.276 11 V C 0.288 176.379 176.094 -0.004 0.000 1.028 11 V CA -0.329 61.970 62.300 -0.001 0.000 0.860 11 V CB 1.206 33.024 31.823 -0.008 0.000 0.990 11 V HN 0.956 nan 8.190 nan 0.000 0.453 12 E N 4.730 124.930 120.200 0.000 0.000 2.089 12 E HA 0.341 4.693 4.350 0.003 0.000 0.284 12 E C -0.888 175.711 176.600 -0.001 0.000 1.023 12 E CA -0.775 55.625 56.400 -0.001 0.000 0.819 12 E CB 1.208 30.910 29.700 0.004 0.000 1.076 12 E HN 0.567 nan 8.360 nan 0.000 0.396 13 L N 5.579 126.798 121.223 -0.008 0.000 2.260 13 L HA 0.266 4.608 4.340 0.003 0.000 0.289 13 L C -0.156 176.712 176.870 -0.003 0.000 1.057 13 L CA 0.437 55.270 54.840 -0.010 0.000 0.811 13 L CB 1.130 43.177 42.059 -0.021 0.000 1.184 13 L HN 0.713 nan 8.230 nan 0.000 0.429 14 D N 2.970 123.374 120.400 0.006 0.000 2.949 14 D HA 0.180 4.822 4.640 0.003 0.000 0.247 14 D C 1.331 177.641 176.300 0.016 0.000 1.552 14 D CA 0.696 54.703 54.000 0.012 0.000 1.231 14 D CB 0.707 41.518 40.800 0.019 0.000 0.990 14 D HN 0.580 nan 8.370 nan 0.000 0.270 15 R N -1.608 118.913 120.500 0.035 0.000 2.167 15 R HA 0.186 4.527 4.340 0.003 0.000 0.195 15 R C 0.294 176.639 176.300 0.076 0.000 1.027 15 R CA -0.101 56.027 56.100 0.046 0.000 1.114 15 R CB 0.365 30.696 30.300 0.052 0.000 1.075 15 R HN 0.238 nan 8.270 nan 0.000 0.538 16 H N 0.036 119.099 119.070 -0.012 0.000 2.492 16 H HA 0.545 5.103 4.556 0.003 0.000 0.345 16 H C -1.373 173.949 175.328 -0.010 0.000 1.136 16 H CA -0.643 55.397 56.048 -0.013 0.000 1.202 16 H CB 1.405 31.160 29.762 -0.012 0.000 1.524 16 H HN 0.012 nan 8.280 nan 0.000 0.506 17 I N 4.282 124.527 120.570 -0.541 0.000 2.569 17 I HA 0.249 4.421 4.170 0.003 0.000 0.290 17 I C -1.217 174.640 176.117 -0.434 0.000 1.088 17 I CA -0.873 60.242 61.300 -0.308 0.000 1.047 17 I CB 1.478 39.374 38.000 -0.174 0.000 1.237 17 I HN 0.840 nan 8.210 nan 0.000 0.421 18 D N 6.113 126.413 120.400 -0.166 0.000 2.387 18 D HA 0.207 4.849 4.640 0.003 0.000 0.251 18 D C 1.017 177.291 176.300 -0.044 0.000 1.141 18 D CA -0.544 53.414 54.000 -0.071 0.000 0.987 18 D CB 1.002 41.834 40.800 0.055 0.000 1.116 18 D HN 0.519 nan 8.370 nan 0.000 0.491 19 L N -0.302 120.919 121.223 -0.004 0.000 2.079 19 L HA -0.161 4.181 4.340 0.003 0.000 0.210 19 L C 1.520 178.430 176.870 0.067 0.000 1.081 19 L CA 1.420 56.276 54.840 0.027 0.000 0.752 19 L CB -0.476 41.611 42.059 0.046 0.000 0.896 19 L HN 0.459 nan 8.230 nan 0.000 0.433 20 D N -0.258 120.183 120.400 0.068 0.000 2.117 20 D HA -0.169 4.473 4.640 0.003 0.000 0.198 20 D C 2.323 178.671 176.300 0.079 0.000 0.982 20 D CA 1.077 55.137 54.000 0.100 0.000 0.828 20 D CB -0.100 40.748 40.800 0.081 0.000 0.967 20 D HN 0.423 nan 8.370 nan 0.000 0.464 21 Q N 0.430 120.254 119.800 0.040 0.000 2.084 21 Q HA -0.063 4.279 4.340 0.003 0.000 0.202 21 Q C 2.232 178.232 176.000 -0.000 0.000 0.978 21 Q CA 1.317 57.130 55.803 0.017 0.000 0.844 21 Q CB -0.090 28.647 28.738 -0.002 0.000 0.898 21 Q HN 0.195 nan 8.270 nan 0.000 0.426 22 A N 0.952 123.769 122.820 -0.006 0.000 1.877 22 A HA -0.252 4.070 4.320 0.003 0.000 0.216 22 A C 1.975 179.543 177.584 -0.026 0.000 1.186 22 A CA 1.696 53.717 52.037 -0.026 0.000 0.620 22 A CB -0.902 18.083 19.000 -0.025 0.000 0.822 22 A HN 0.458 nan 8.150 nan 0.000 0.443 23 H N -0.021 119.002 119.070 -0.079 0.000 2.423 23 H HA 0.003 4.560 4.556 0.003 0.000 0.297 23 H C 2.259 177.505 175.328 -0.136 0.000 1.075 23 H CA 1.485 57.447 56.048 -0.144 0.000 1.342 23 H CB -0.172 29.420 29.762 -0.282 0.000 1.395 23 H HN 0.408 nan 8.280 nan 0.000 0.530 24 A N 0.498 123.308 122.820 -0.015 0.000 1.908 24 A HA -0.117 4.204 4.320 0.003 0.000 0.218 24 A C 2.843 180.384 177.584 -0.071 0.000 1.181 24 A CA 1.718 53.747 52.037 -0.014 0.000 0.627 24 A CB -0.876 18.144 19.000 0.034 0.000 0.818 24 A HN 0.294 nan 8.150 nan 0.000 0.445 25 V N -0.313 119.552 119.914 -0.082 0.000 2.323 25 V HA -0.187 3.935 4.120 0.003 0.000 0.244 25 V C 3.064 179.063 176.094 -0.157 0.000 1.041 25 V CA 1.817 64.062 62.300 -0.091 0.000 1.025 25 V CB -1.258 30.517 31.823 -0.080 0.000 0.656 25 V HN 0.608 nan 8.190 nan 0.000 0.451 26 A N 0.867 123.554 122.820 -0.221 0.000 1.940 26 A HA -0.212 4.109 4.320 0.003 0.000 0.219 26 A C 2.411 179.784 177.584 -0.351 0.000 1.176 26 A CA 2.337 54.189 52.037 -0.307 0.000 0.631 26 A CB -0.707 18.118 19.000 -0.292 0.000 0.814 26 A HN 0.699 nan 8.150 nan 0.000 0.446 27 S N -2.090 113.417 115.700 -0.323 0.000 2.603 27 S HA 0.364 4.835 4.470 0.003 0.000 0.220 27 S C 1.442 176.174 174.600 0.221 0.000 0.967 27 S CA 1.064 59.226 58.200 -0.063 0.000 0.920 27 S CB -0.280 62.771 63.200 -0.249 0.000 0.773 27 S HN 1.952 nan 8.310 nan 0.000 0.529 28 G N 0.412 109.268 108.800 0.093 0.000 2.179 28 G HA2 -0.220 3.741 3.960 0.003 0.000 0.260 28 G HA3 -0.220 3.741 3.960 0.003 0.000 0.260 28 G C 0.887 175.851 174.900 0.107 0.000 0.977 28 G CA 0.137 45.347 45.100 0.182 0.000 0.641 28 G HN 0.963 nan 8.290 nan 0.000 0.533 29 G N -0.247 108.591 108.800 0.064 0.000 2.484 29 G HA2 0.516 4.478 3.960 0.003 0.000 0.218 29 G HA3 0.516 4.478 3.960 0.003 0.000 0.218 29 G C 0.688 175.612 174.900 0.041 0.000 1.130 29 G CA 1.850 46.984 45.100 0.057 0.000 0.784 29 G HN 1.844 nan 8.290 nan 0.000 0.543 30 A N -0.511 122.324 122.820 0.025 0.000 2.475 30 A HA 0.784 5.105 4.320 0.003 0.000 0.301 30 A C -0.153 177.435 177.584 0.006 0.000 1.059 30 A CA -0.843 51.203 52.037 0.016 0.000 0.710 30 A CB 1.513 20.520 19.000 0.012 0.000 1.288 30 A HN 0.219 nan 8.150 nan 0.000 0.408 31 R N 0.005 120.508 120.500 0.007 0.000 2.583 31 R HA 0.644 4.985 4.340 0.003 0.000 0.268 31 R C -0.686 175.608 176.300 -0.009 0.000 1.101 31 R CA -0.321 55.779 56.100 0.000 0.000 1.180 31 R CB 0.974 31.276 30.300 0.003 0.000 1.128 31 R HN 0.678 nan 8.270 nan 0.000 0.568 32 I N 0.580 121.141 120.570 -0.014 0.000 2.545 32 I HA 0.415 4.587 4.170 0.003 0.000 0.292 32 I C -1.453 174.655 176.117 -0.015 0.000 1.040 32 I CA -0.915 60.374 61.300 -0.019 0.000 1.068 32 I CB 2.000 39.982 38.000 -0.031 0.000 1.251 32 I HN 0.282 nan 8.210 nan 0.000 0.424 33 V N 7.934 127.841 119.914 -0.013 0.000 2.760 33 V HA 0.502 4.623 4.120 0.003 0.000 0.309 33 V C -1.447 174.640 176.094 -0.011 0.000 1.077 33 V CA -0.689 61.605 62.300 -0.011 0.000 0.910 33 V CB 2.130 33.950 31.823 -0.006 0.000 1.008 33 V HN 0.648 nan 8.190 nan 0.000 0.424 34 L N 6.532 127.748 121.223 -0.012 0.000 2.281 34 L HA 0.780 5.122 4.340 0.003 0.000 0.285 34 L C 0.726 177.592 176.870 -0.007 0.000 1.074 34 L CA 0.602 55.435 54.840 -0.011 0.000 0.817 34 L CB 0.872 42.923 42.059 -0.014 0.000 1.168 34 L HN 0.919 nan 8.230 nan 0.000 0.434 35 A N 6.888 129.706 122.820 -0.004 0.000 2.466 35 A HA 0.328 4.650 4.320 0.003 0.000 0.238 35 A C -1.584 175.998 177.584 -0.002 0.000 1.074 35 A CA -0.665 51.371 52.037 -0.001 0.000 0.774 35 A CB -0.398 18.604 19.000 0.002 0.000 1.015 35 A HN 0.790 nan 8.150 nan 0.000 0.498 36 P HA -0.137 nan 4.420 nan 0.000 0.216 36 P C -1.455 175.844 177.300 -0.001 0.000 1.153 36 P CA 1.792 64.891 63.100 -0.002 0.000 0.858 36 P CB -0.733 30.967 31.700 -0.001 0.000 0.789 37 P HA -0.144 nan 4.420 nan 0.000 0.216 37 P C 1.400 178.701 177.300 0.001 0.000 1.150 37 P CA 1.929 65.030 63.100 0.002 0.000 0.837 37 P CB -0.594 31.109 31.700 0.004 0.000 0.786 38 A N -0.198 122.622 122.820 0.001 0.000 1.898 38 A HA -0.170 4.152 4.320 0.003 0.000 0.216 38 A C 2.241 179.823 177.584 -0.005 0.000 1.181 38 A CA 1.263 53.300 52.037 -0.001 0.000 0.620 38 A CB -0.964 18.034 19.000 -0.002 0.000 0.819 38 A HN 0.042 nan 8.150 nan 0.000 0.442 39 R N -0.209 120.287 120.500 -0.007 0.000 2.096 39 R HA -0.119 4.223 4.340 0.003 0.000 0.235 39 R C 1.534 177.829 176.300 -0.010 0.000 1.127 39 R CA 1.480 57.574 56.100 -0.011 0.000 0.968 39 R CB -0.369 29.924 30.300 -0.011 0.000 0.861 39 R HN 0.487 nan 8.270 nan 0.000 0.440 40 D N 0.179 120.576 120.400 -0.006 0.000 2.117 40 D HA -0.119 4.523 4.640 0.003 0.000 0.198 40 D C 1.979 178.277 176.300 -0.003 0.000 0.982 40 D CA 1.108 55.105 54.000 -0.005 0.000 0.828 40 D CB -0.118 40.681 40.800 -0.002 0.000 0.967 40 D HN 0.188 nan 8.370 nan 0.000 0.464 41 R N 0.054 120.553 120.500 -0.001 0.000 2.096 41 R HA -0.063 4.279 4.340 0.003 0.000 0.235 41 R C 2.510 178.811 176.300 0.002 0.000 1.127 41 R CA 0.917 57.019 56.100 0.003 0.000 0.968 41 R CB -0.467 29.837 30.300 0.007 0.000 0.861 41 R HN 0.228 nan 8.270 nan 0.000 0.440 42 C N -0.116 119.182 119.300 -0.004 0.000 2.440 42 C HA 0.001 4.463 4.460 0.003 0.000 0.278 42 C C 2.586 177.564 174.990 -0.020 0.000 1.295 42 C CA 0.365 59.377 59.018 -0.009 0.000 1.738 42 C CB -0.769 26.962 27.740 -0.016 0.000 1.987 42 C HN 0.450 nan 8.230 nan 0.000 0.492 43 R N 0.852 121.340 120.500 -0.021 0.000 2.096 43 R HA -0.106 4.236 4.340 0.003 0.000 0.235 43 R C 2.348 178.635 176.300 -0.021 0.000 1.127 43 R CA 1.543 57.628 56.100 -0.026 0.000 0.968 43 R CB -0.392 29.897 30.300 -0.019 0.000 0.861 43 R HN 0.556 nan 8.270 nan 0.000 0.440 44 A N -0.120 122.692 122.820 -0.012 0.000 1.930 44 A HA -0.155 4.167 4.320 0.003 0.000 0.217 44 A C 2.131 179.708 177.584 -0.012 0.000 1.175 44 A CA 1.760 53.793 52.037 -0.008 0.000 0.627 44 A CB -0.462 18.539 19.000 0.001 0.000 0.815 44 A HN 0.296 nan 8.150 nan 0.000 0.443 45 S N -0.879 114.816 115.700 -0.008 0.000 2.387 45 S HA -0.162 4.310 4.470 0.003 0.000 0.226 45 S C 1.995 176.557 174.600 -0.064 0.000 1.026 45 S CA 1.431 59.625 58.200 -0.009 0.000 0.972 45 S CB -0.298 62.918 63.200 0.028 0.000 0.814 45 S HN 0.678 nan 8.310 nan 0.000 0.477 46 E N 0.445 120.610 120.200 -0.059 0.000 2.077 46 E HA -0.127 4.225 4.350 0.003 0.000 0.193 46 E C 2.074 178.628 176.600 -0.076 0.000 0.989 46 E CA 1.077 57.429 56.400 -0.080 0.000 0.800 46 E CB -0.352 29.302 29.700 -0.076 0.000 0.746 46 E HN 0.595 nan 8.360 nan 0.000 0.452 47 A N 1.198 123.987 122.820 -0.052 0.000 1.933 47 A HA -0.158 4.164 4.320 0.003 0.000 0.218 47 A C 2.147 179.693 177.584 -0.064 0.000 1.175 47 A CA 1.282 53.294 52.037 -0.041 0.000 0.628 47 A CB -0.407 18.579 19.000 -0.023 0.000 0.814 47 A HN 0.170 nan 8.150 nan 0.000 0.444 48 R N -1.236 119.215 120.500 -0.081 0.000 2.092 48 R HA -0.091 4.251 4.340 0.003 0.000 0.231 48 R C 2.091 178.260 176.300 -0.218 0.000 1.119 48 R CA 1.372 57.412 56.100 -0.100 0.000 0.970 48 R CB -0.512 29.754 30.300 -0.056 0.000 0.864 48 R HN 0.508 nan 8.270 nan 0.000 0.440 49 L N 0.450 121.470 121.223 -0.339 0.000 2.056 49 L HA 0.003 4.345 4.340 0.003 0.000 0.207 49 L C 2.108 178.842 176.870 -0.227 0.000 1.078 49 L CA 2.024 56.571 54.840 -0.488 0.000 0.749 49 L CB -0.963 40.815 42.059 -0.469 0.000 0.901 49 L HN 0.141 nan 8.230 nan 0.000 0.433 50 G N -0.847 107.876 108.800 -0.128 0.000 2.440 50 G HA2 -0.295 3.666 3.960 0.003 0.000 0.218 50 G HA3 -0.295 3.666 3.960 0.003 0.000 0.218 50 G C 1.593 176.461 174.900 -0.052 0.000 1.154 50 G CA 0.919 45.983 45.100 -0.060 0.000 0.767 50 G HN 0.645 nan 8.290 nan 0.000 0.552 51 A N -0.009 122.778 122.820 -0.055 0.000 1.898 51 A HA 0.113 4.435 4.320 0.003 0.000 0.216 51 A C 2.595 180.167 177.584 -0.021 0.000 1.181 51 A CA 1.720 53.740 52.037 -0.029 0.000 0.620 51 A CB -0.625 18.363 19.000 -0.020 0.000 0.819 51 A HN 0.260 nan 8.150 nan 0.000 0.442 52 V N 0.217 120.105 119.914 -0.044 0.000 2.392 52 V HA -0.277 3.845 4.120 0.003 0.000 0.249 52 V C 2.390 178.493 176.094 0.015 0.000 1.059 52 V CA 2.081 64.381 62.300 0.000 0.000 1.051 52 V CB -0.613 31.198 31.823 -0.020 0.000 0.658 52 V HN 0.574 nan 8.190 nan 0.000 0.455 53 I N -0.779 119.781 120.570 -0.016 0.000 2.233 53 I HA -0.178 3.994 4.170 0.003 0.000 0.243 53 I C 2.723 178.842 176.117 0.004 0.000 1.093 53 I CA 1.325 62.625 61.300 0.001 0.000 1.380 53 I CB -0.408 37.583 38.000 -0.014 0.000 1.067 53 I HN 0.181 nan 8.210 nan 0.000 0.413 54 R N 0.793 121.291 120.500 -0.004 0.000 2.096 54 R HA -0.175 4.167 4.340 0.003 0.000 0.235 54 R C 1.798 178.102 176.300 0.007 0.000 1.127 54 R CA 1.330 57.429 56.100 -0.001 0.000 0.968 54 R CB -0.273 30.024 30.300 -0.005 0.000 0.861 54 R HN 0.452 nan 8.270 nan 0.000 0.440 55 E N -0.086 120.123 120.200 0.015 0.000 2.481 55 E HA 0.069 4.420 4.350 0.003 0.000 0.195 55 E C 0.377 176.996 176.600 0.032 0.000 1.047 55 E CA 0.360 56.775 56.400 0.024 0.000 0.867 55 E CB 0.353 30.072 29.700 0.031 0.000 0.858 55 E HN 0.334 nan 8.360 nan 0.000 0.513 56 A N 1.894 124.733 122.820 0.032 0.000 2.822 56 A HA -0.235 4.087 4.320 0.003 0.000 0.287 56 A C 0.022 177.644 177.584 0.063 0.000 1.479 56 A CA 0.567 52.626 52.037 0.037 0.000 0.779 56 A CB -1.342 17.669 19.000 0.017 0.000 1.022 56 A HN 0.124 nan 8.150 nan 0.000 0.532 57 R N 0.045 120.600 120.500 0.092 0.000 2.643 57 R HA 0.122 4.464 4.340 0.003 0.000 0.270 57 R C 0.514 176.932 176.300 0.196 0.000 1.061 57 R CA -0.119 56.062 56.100 0.135 0.000 1.107 57 R CB 0.111 30.502 30.300 0.151 0.000 0.999 57 R HN 0.717 nan 8.270 nan 0.000 0.460 58 H N 1.637 120.753 119.070 0.077 0.000 3.160 58 H HA 0.213 4.770 4.556 0.003 0.000 0.257 58 H C -0.895 174.513 175.328 0.133 0.000 1.140 58 H CA -0.380 55.707 56.048 0.065 0.000 1.492 58 H CB 0.204 29.977 29.762 0.019 0.000 1.529 58 H HN 0.044 nan 8.280 nan 0.000 0.490 59 V N 6.426 126.563 119.914 0.372 0.000 2.686 59 V HA 0.002 4.124 4.120 0.003 0.000 0.306 59 V C -0.739 175.609 176.094 0.424 0.000 1.065 59 V CA -0.995 61.562 62.300 0.428 0.000 0.894 59 V CB 1.316 33.378 31.823 0.397 0.000 1.004 59 V HN 0.660 nan 8.190 nan 0.000 0.424 60 Y N 3.822 124.396 120.300 0.457 0.000 2.805 60 Y HA 0.346 4.898 4.550 0.003 0.000 0.331 60 Y C 1.384 177.408 175.900 0.206 0.000 1.241 60 Y CA 1.932 60.191 58.100 0.265 0.000 1.546 60 Y CB 0.551 39.209 38.460 0.330 0.000 1.248 60 Y HN 1.062 nan 8.280 nan 0.000 0.559 61 G N 4.110 112.659 108.800 -0.417 0.000 2.234 61 G HA2 -0.310 3.652 3.960 0.003 0.000 0.260 61 G HA3 -0.310 3.652 3.960 0.003 0.000 0.260 61 G C 0.627 175.520 174.900 -0.011 0.000 0.987 61 G CA 0.623 45.603 45.100 -0.200 0.000 0.625 61 G HN 0.674 nan 8.290 nan 0.000 0.532 62 L N -0.113 121.135 121.223 0.042 0.000 2.577 62 L HA 0.285 4.627 4.340 0.003 0.000 0.225 62 L C 2.261 179.146 176.870 0.024 0.000 1.053 62 L CA 1.586 56.469 54.840 0.071 0.000 0.866 62 L CB 0.485 42.630 42.059 0.144 0.000 1.132 62 L HN 0.453 nan 8.230 nan 0.000 0.486 63 T N -4.440 110.127 114.554 0.021 0.000 3.262 63 T HA 0.166 4.518 4.350 0.003 0.000 0.300 63 T C 0.340 175.004 174.700 -0.059 0.000 0.959 63 T CA 0.155 62.251 62.100 -0.006 0.000 0.936 63 T CB 0.096 68.989 68.868 0.041 0.000 1.169 63 T HN 0.169 nan 8.240 nan 0.000 0.532 64 T N -1.625 112.848 114.554 -0.136 0.000 2.883 64 T HA 0.782 5.134 4.350 0.003 0.000 0.296 64 T C 0.599 175.000 174.700 -0.499 0.000 1.117 64 T CA -0.288 61.691 62.100 -0.203 0.000 1.006 64 T CB 1.491 70.326 68.868 -0.056 0.000 1.191 64 T HN 0.279 nan 8.240 nan 0.000 0.508 65 G N -0.086 108.457 108.800 -0.429 0.000 2.516 65 G HA2 0.561 4.522 3.960 0.003 0.000 0.276 65 G HA3 0.561 4.522 3.960 0.003 0.000 0.276 65 G C -1.047 173.371 174.900 -0.805 0.000 1.390 65 G CA -0.805 43.934 45.100 -0.602 0.000 1.050 65 G HN 0.561 nan 8.290 nan 0.000 0.519 66 F N -0.902 119.011 119.950 -0.062 0.000 2.483 66 F HA 0.612 5.141 4.527 0.003 0.000 0.329 66 F C 1.167 177.073 175.800 0.177 0.000 1.064 66 F CA 0.306 58.336 58.000 0.049 0.000 0.986 66 F CB 1.311 40.411 39.000 0.168 0.000 1.218 66 F HN 1.023 nan 8.300 nan 0.000 0.484 67 G N 1.805 110.931 108.800 0.543 0.000 2.596 67 G HA2 -0.286 3.676 3.960 0.003 0.000 0.295 67 G HA3 -0.286 3.676 3.960 0.003 0.000 0.295 67 G C -1.918 173.107 174.900 0.209 0.000 1.240 67 G CA -0.075 45.205 45.100 0.300 0.000 0.985 67 G HN 0.520 nan 8.290 nan 0.000 0.555 68 P HA 0.150 nan 4.420 nan 0.000 0.234 68 P C 1.621 178.957 177.300 0.060 0.000 1.167 68 P CA 0.688 63.836 63.100 0.079 0.000 0.763 68 P CB -0.064 31.666 31.700 0.050 0.000 0.835 69 L N -1.532 119.725 121.223 0.058 0.000 2.612 69 L HA 0.196 4.537 4.340 0.003 0.000 0.230 69 L C 1.976 178.842 176.870 -0.008 0.000 1.140 69 L CA 0.047 54.892 54.840 0.008 0.000 0.896 69 L CB -0.580 41.463 42.059 -0.027 0.000 1.065 69 L HN -0.045 nan 8.230 nan 0.000 0.447 70 A N 1.196 124.051 122.820 0.059 0.000 2.172 70 A HA -0.155 4.166 4.320 0.003 0.000 0.216 70 A C 1.940 179.558 177.584 0.058 0.000 1.154 70 A CA 1.256 53.334 52.037 0.067 0.000 0.701 70 A CB -0.476 18.675 19.000 0.253 0.000 0.789 70 A HN 0.638 nan 8.150 nan 0.000 0.465 71 N N -0.494 118.230 118.700 0.040 0.000 2.515 71 N HA -0.035 4.707 4.740 0.003 0.000 0.185 71 N C 0.064 175.567 175.510 -0.012 0.000 1.109 71 N CA 0.245 53.312 53.050 0.029 0.000 0.903 71 N CB -0.207 38.295 38.487 0.024 0.000 0.969 71 N HN 0.185 nan 8.380 nan 0.000 0.450 72 R N 1.046 121.525 120.500 -0.035 0.000 2.205 72 R HA 0.381 4.723 4.340 0.003 0.000 0.342 72 R C -0.157 176.092 176.300 -0.085 0.000 1.058 72 R CA -0.275 55.790 56.100 -0.059 0.000 0.904 72 R CB 0.696 30.956 30.300 -0.065 0.000 1.089 72 R HN 0.149 nan 8.270 nan 0.000 0.471 73 L N 4.016 125.184 121.223 -0.091 0.000 2.417 73 L HA 0.369 4.711 4.340 0.003 0.000 0.268 73 L C 0.127 176.938 176.870 -0.099 0.000 1.158 73 L CA -0.384 54.388 54.840 -0.115 0.000 0.819 73 L CB 0.598 42.566 42.059 -0.151 0.000 1.112 73 L HN 0.367 nan 8.230 nan 0.000 0.458 74 I N 1.424 121.933 120.570 -0.100 0.000 2.474 74 I HA 0.211 4.383 4.170 0.003 0.000 0.294 74 I C 0.299 176.380 176.117 -0.060 0.000 1.005 74 I CA -0.233 61.018 61.300 -0.082 0.000 1.113 74 I CB 1.720 39.659 38.000 -0.102 0.000 1.289 74 I HN 0.524 nan 8.210 nan 0.000 0.436 75 S N 3.192 118.864 115.700 -0.046 0.000 2.580 75 S HA 0.342 4.814 4.470 0.003 0.000 0.274 75 S C 1.490 176.075 174.600 -0.026 0.000 1.329 75 S CA 0.193 58.373 58.200 -0.034 0.000 1.036 75 S CB 1.248 64.431 63.200 -0.028 0.000 0.919 75 S HN 0.886 nan 8.310 nan 0.000 0.515 76 G N 3.049 111.838 108.800 -0.019 0.000 2.505 76 G HA2 -0.282 3.680 3.960 0.003 0.000 0.220 76 G HA3 -0.282 3.680 3.960 0.003 0.000 0.220 76 G C 1.289 176.181 174.900 -0.013 0.000 1.145 76 G CA 1.195 46.287 45.100 -0.013 0.000 0.761 76 G HN 0.924 nan 8.290 nan 0.000 0.571 77 E N 0.672 120.863 120.200 -0.014 0.000 2.333 77 E HA -0.126 4.226 4.350 0.003 0.000 0.198 77 E C 1.145 177.740 176.600 -0.009 0.000 1.007 77 E CA 0.983 57.376 56.400 -0.012 0.000 0.845 77 E CB -0.330 29.363 29.700 -0.011 0.000 0.766 77 E HN 0.403 nan 8.360 nan 0.000 0.507 78 N N 0.601 119.294 118.700 -0.010 0.000 2.236 78 N HA 0.058 4.800 4.740 0.003 0.000 0.196 78 N C 1.568 177.077 175.510 -0.002 0.000 1.114 78 N CA 0.145 53.191 53.050 -0.006 0.000 0.859 78 N CB 0.887 39.368 38.487 -0.011 0.000 0.982 78 N HN 0.031 nan 8.380 nan 0.000 0.493 79 V N 1.223 121.135 119.914 -0.003 0.000 2.343 79 V HA -0.175 3.947 4.120 0.003 0.000 0.247 79 V C 2.342 178.450 176.094 0.023 0.000 1.051 79 V CA 1.496 63.801 62.300 0.008 0.000 1.036 79 V CB -0.298 31.530 31.823 0.008 0.000 0.654 79 V HN 0.242 nan 8.190 nan 0.000 0.451 80 R N -0.286 120.221 120.500 0.012 0.000 2.096 80 R HA -0.138 4.204 4.340 0.003 0.000 0.235 80 R C 2.404 178.711 176.300 0.011 0.000 1.127 80 R CA 1.899 58.005 56.100 0.009 0.000 0.968 80 R CB -0.624 29.675 30.300 -0.002 0.000 0.861 80 R HN 0.503 nan 8.270 nan 0.000 0.440 81 T N 1.652 116.215 114.554 0.017 0.000 2.777 81 T HA -0.110 4.242 4.350 0.003 0.000 0.266 81 T C 1.727 176.457 174.700 0.049 0.000 1.040 81 T CA 0.951 63.066 62.100 0.025 0.000 1.141 81 T CB -0.185 68.700 68.868 0.029 0.000 0.868 81 T HN 0.101 nan 8.240 nan 0.000 0.444 82 L N 1.385 122.646 121.223 0.065 0.000 1.989 82 L HA -0.140 4.202 4.340 0.003 0.000 0.211 82 L C 2.359 179.362 176.870 0.221 0.000 1.071 82 L CA 1.849 56.767 54.840 0.130 0.000 0.749 82 L CB -0.641 41.455 42.059 0.062 0.000 0.890 82 L HN 0.238 nan 8.230 nan 0.000 0.431 83 Q N -0.883 119.004 119.800 0.145 0.000 2.297 83 Q HA -0.046 4.295 4.340 0.003 0.000 0.204 83 Q C 2.161 178.133 176.000 -0.047 0.000 0.962 83 Q CA 1.018 56.880 55.803 0.099 0.000 0.879 83 Q CB -0.205 28.578 28.738 0.075 0.000 0.947 83 Q HN 0.717 nan 8.270 nan 0.000 0.462 84 A N 1.451 124.225 122.820 -0.076 0.000 1.929 84 A HA -0.143 4.179 4.320 0.003 0.000 0.216 84 A C 1.721 179.070 177.584 -0.392 0.000 1.176 84 A CA 1.102 52.992 52.037 -0.245 0.000 0.628 84 A CB -0.211 18.678 19.000 -0.184 0.000 0.816 84 A HN 0.241 nan 8.150 nan 0.000 0.444 85 N N -0.045 118.593 118.700 -0.102 0.000 2.244 85 N HA -0.110 4.632 4.740 0.003 0.000 0.183 85 N C 1.565 177.142 175.510 0.112 0.000 1.016 85 N CA 1.248 54.347 53.050 0.081 0.000 0.866 85 N CB -0.533 38.090 38.487 0.227 0.000 0.980 85 N HN 0.449 nan 8.380 nan 0.000 0.430 86 L N 0.914 122.128 121.223 -0.015 0.000 1.989 86 L HA -0.119 4.223 4.340 0.003 0.000 0.211 86 L C 1.927 178.395 176.870 -0.670 0.000 1.071 86 L CA 1.498 56.078 54.840 -0.433 0.000 0.749 86 L CB -0.741 40.946 42.059 -0.620 0.000 0.890 86 L HN -0.096 nan 8.230 nan 0.000 0.431 87 V N -0.240 119.414 119.914 -0.433 0.000 2.332 87 V HA -0.352 3.770 4.120 0.003 0.000 0.248 87 V C 2.391 178.311 176.094 -0.289 0.000 1.055 87 V CA 2.255 64.326 62.300 -0.381 0.000 1.038 87 V CB -1.036 30.609 31.823 -0.296 0.000 0.651 87 V HN 0.636 nan 8.190 nan 0.000 0.450 88 H N -0.279 118.664 119.070 -0.212 0.000 2.270 88 H HA -0.197 4.361 4.556 0.003 0.000 0.299 88 H C 2.216 177.478 175.328 -0.109 0.000 1.077 88 H CA 1.974 57.947 56.048 -0.125 0.000 1.294 88 H CB -0.311 29.445 29.762 -0.011 0.000 1.371 88 H HN 0.603 nan 8.280 nan 0.000 0.491 89 F N 0.700 120.683 119.950 0.055 0.000 2.365 89 F HA -0.022 4.507 4.527 0.003 0.000 0.300 89 F C 1.600 177.374 175.800 -0.043 0.000 1.090 89 F CA 0.779 58.781 58.000 0.003 0.000 1.408 89 F CB -0.656 38.353 39.000 0.014 0.000 1.060 89 F HN 0.013 nan 8.300 nan 0.000 0.534 90 L N 0.595 121.423 121.223 -0.659 0.000 2.418 90 L HA 0.236 4.578 4.340 0.003 0.000 0.218 90 L C 1.902 178.605 176.870 -0.278 0.000 1.125 90 L CA 0.407 54.950 54.840 -0.494 0.000 0.835 90 L CB -0.616 41.047 42.059 -0.661 0.000 0.953 90 L HN 0.268 nan 8.230 nan 0.000 0.454 91 A N 0.115 122.743 122.820 -0.320 0.000 3.029 91 A HA 0.138 4.459 4.320 0.003 0.000 0.251 91 A C 1.234 178.760 177.584 -0.097 0.000 1.749 91 A CA 0.282 52.010 52.037 -0.514 0.000 1.386 91 A CB -0.665 17.982 19.000 -0.589 0.000 1.043 91 A HN 0.357 nan 8.150 nan 0.000 0.638 92 S N -0.683 115.062 115.700 0.076 0.000 2.601 92 S HA 0.381 4.852 4.470 0.003 0.000 0.244 92 S C 0.858 175.560 174.600 0.169 0.000 1.001 92 S CA 0.068 58.343 58.200 0.126 0.000 0.984 92 S CB 0.048 63.298 63.200 0.083 0.000 0.842 92 S HN 0.736 nan 8.310 nan 0.000 0.474 93 G N 1.498 110.503 108.800 0.341 0.000 2.544 93 G HA2 0.502 4.463 3.960 0.003 0.000 0.242 93 G HA3 0.502 4.463 3.960 0.003 0.000 0.242 93 G C -0.119 174.760 174.900 -0.034 0.000 1.247 93 G CA 0.089 45.238 45.100 0.083 0.000 0.840 93 G HN 1.023 nan 8.290 nan 0.000 0.578 94 V N -0.822 119.062 119.914 -0.050 0.000 3.167 94 V HA 1.035 5.157 4.120 0.003 0.000 0.310 94 V C 0.602 176.663 176.094 -0.056 0.000 1.207 94 V CA -0.068 62.203 62.300 -0.048 0.000 1.059 94 V CB 1.099 32.914 31.823 -0.013 0.000 1.079 94 V HN 2.545 nan 8.190 nan 0.000 0.446 95 G N 0.611 109.385 108.800 -0.042 0.000 2.712 95 G HA2 0.043 4.005 3.960 0.003 0.000 0.683 95 G HA3 0.043 4.005 3.960 0.003 0.000 0.683 95 G C -3.039 171.836 174.900 -0.041 0.000 1.320 95 G CA -0.342 44.738 45.100 -0.033 0.000 0.847 95 G HN 1.000 nan 8.290 nan 0.000 0.553 96 P HA 0.390 nan 4.420 nan 0.000 0.267 96 P C 0.759 178.040 177.300 -0.031 0.000 1.200 96 P CA 0.066 63.154 63.100 -0.020 0.000 0.772 96 P CB 0.739 32.436 31.700 -0.004 0.000 0.855 97 V N 1.563 121.459 119.914 -0.030 0.000 2.924 97 V HA 0.169 4.291 4.120 0.003 0.000 0.305 97 V C 0.344 176.431 176.094 -0.013 0.000 1.073 97 V CA -0.620 61.656 62.300 -0.040 0.000 1.098 97 V CB -0.267 31.537 31.823 -0.033 0.000 1.000 97 V HN 0.257 nan 8.190 nan 0.000 0.484 98 L N 2.663 123.874 121.223 -0.019 0.000 2.483 98 L HA 0.238 4.579 4.340 0.003 0.000 0.276 98 L C 0.665 177.556 176.870 0.034 0.000 1.213 98 L CA -0.162 54.680 54.840 0.003 0.000 0.843 98 L CB 0.171 42.221 42.059 -0.013 0.000 1.107 98 L HN 1.033 nan 8.230 nan 0.000 0.487 99 D N -0.043 120.393 120.400 0.061 0.000 2.361 99 D HA -0.112 4.530 4.640 0.003 0.000 0.239 99 D C 0.706 177.099 176.300 0.156 0.000 1.200 99 D CA -0.434 53.634 54.000 0.115 0.000 0.915 99 D CB 0.515 41.388 40.800 0.121 0.000 1.170 99 D HN 0.540 nan 8.370 nan 0.000 0.444 100 W N 1.204 122.508 121.300 0.007 0.000 2.290 100 W HA -0.306 4.355 4.660 0.002 0.000 0.328 100 W C 2.206 178.721 176.519 -0.008 0.000 1.272 100 W CA 2.802 60.151 57.345 0.006 0.000 1.262 100 W CB -0.830 28.636 29.460 0.010 0.000 1.151 100 W HN 0.448 nan 8.180 nan 0.000 0.473 101 T N -0.291 114.416 114.554 0.254 0.000 2.708 101 T HA -0.221 4.130 4.350 0.003 0.000 0.266 101 T C 1.563 176.200 174.700 -0.105 0.000 1.037 101 T CA 2.357 64.457 62.100 -0.001 0.000 1.146 101 T CB -0.939 68.010 68.868 0.135 0.000 0.865 101 T HN 0.194 nan 8.240 nan 0.000 0.435 102 T N 1.935 116.482 114.554 -0.011 0.000 2.777 102 T HA 0.020 4.371 4.350 0.003 0.000 0.266 102 T C 2.425 177.084 174.700 -0.069 0.000 1.040 102 T CA 1.088 63.176 62.100 -0.020 0.000 1.141 102 T CB -0.534 68.350 68.868 0.026 0.000 0.868 102 T HN 0.431 nan 8.240 nan 0.000 0.444 103 A N 1.785 124.552 122.820 -0.088 0.000 1.902 103 A HA -0.119 4.202 4.320 0.003 0.000 0.217 103 A C 2.373 179.856 177.584 -0.169 0.000 1.181 103 A CA 1.431 53.401 52.037 -0.112 0.000 0.623 103 A CB -0.462 18.475 19.000 -0.104 0.000 0.818 103 A HN 0.412 nan 8.150 nan 0.000 0.443 104 R N -0.585 119.748 120.500 -0.278 0.000 2.092 104 R HA 0.010 4.352 4.340 0.003 0.000 0.231 104 R C 2.421 178.592 176.300 -0.216 0.000 1.119 104 R CA 1.036 56.945 56.100 -0.318 0.000 0.970 104 R CB -0.417 29.547 30.300 -0.561 0.000 0.864 104 R HN 0.502 nan 8.270 nan 0.000 0.440 105 A N 1.190 123.901 122.820 -0.181 0.000 1.933 105 A HA -0.193 4.129 4.320 0.003 0.000 0.218 105 A C 2.117 179.649 177.584 -0.087 0.000 1.175 105 A CA 1.350 53.314 52.037 -0.121 0.000 0.628 105 A CB -0.453 18.501 19.000 -0.077 0.000 0.814 105 A HN 0.333 nan 8.150 nan 0.000 0.444 106 M N -0.315 119.236 119.600 -0.082 0.000 2.099 106 M HA -0.116 4.366 4.480 0.003 0.000 0.262 106 M C 1.886 178.146 176.300 -0.066 0.000 1.067 106 M CA 1.956 57.219 55.300 -0.062 0.000 1.124 106 M CB -0.230 32.337 32.600 -0.056 0.000 1.353 106 M HN 0.192 nan 8.290 nan 0.000 0.410 107 V N 1.108 120.971 119.914 -0.084 0.000 2.287 107 V HA -0.282 3.840 4.120 0.003 0.000 0.248 107 V C 2.427 178.478 176.094 -0.071 0.000 1.053 107 V CA 1.778 64.033 62.300 -0.076 0.000 1.027 107 V CB -0.957 30.813 31.823 -0.088 0.000 0.646 107 V HN 0.579 nan 8.190 nan 0.000 0.447 108 L N 0.903 122.075 121.223 -0.086 0.000 2.017 108 L HA -0.108 4.233 4.340 0.003 0.000 0.208 108 L C 2.475 179.307 176.870 -0.063 0.000 1.073 108 L CA 2.404 57.198 54.840 -0.077 0.000 0.745 108 L CB -1.015 40.989 42.059 -0.092 0.000 0.894 108 L HN 0.225 nan 8.230 nan 0.000 0.432 109 A N -0.445 122.339 122.820 -0.059 0.000 1.908 109 A HA -0.293 4.029 4.320 0.003 0.000 0.218 109 A C 2.468 180.027 177.584 -0.041 0.000 1.181 109 A CA 2.017 54.024 52.037 -0.050 0.000 0.627 109 A CB -0.655 18.320 19.000 -0.043 0.000 0.818 109 A HN 0.488 nan 8.150 nan 0.000 0.445 110 R N -0.675 119.802 120.500 -0.038 0.000 2.081 110 R HA -0.091 4.251 4.340 0.003 0.000 0.235 110 R C 1.960 178.244 176.300 -0.027 0.000 1.131 110 R CA 1.609 57.692 56.100 -0.028 0.000 0.960 110 R CB -0.711 29.572 30.300 -0.028 0.000 0.856 110 R HN 0.450 nan 8.270 nan 0.000 0.436 111 L N -0.101 121.101 121.223 -0.034 0.000 2.012 111 L HA -0.116 4.225 4.340 0.003 0.000 0.210 111 L C 1.946 178.798 176.870 -0.030 0.000 1.073 111 L CA 1.673 56.494 54.840 -0.031 0.000 0.748 111 L CB -0.560 41.476 42.059 -0.038 0.000 0.891 111 L HN 0.080 nan 8.230 nan 0.000 0.431 112 V N -0.996 118.895 119.914 -0.039 0.000 2.407 112 V HA -0.283 3.839 4.120 0.003 0.000 0.248 112 V C 2.773 178.849 176.094 -0.030 0.000 1.055 112 V CA 1.812 64.087 62.300 -0.041 0.000 1.049 112 V CB -0.874 30.914 31.823 -0.059 0.000 0.662 112 V HN 0.654 nan 8.190 nan 0.000 0.455 113 S N -0.271 115.412 115.700 -0.027 0.000 2.356 113 S HA -0.157 4.314 4.470 0.003 0.000 0.223 113 S C 1.936 176.532 174.600 -0.006 0.000 1.032 113 S CA 1.773 59.962 58.200 -0.018 0.000 1.005 113 S CB -0.354 62.837 63.200 -0.014 0.000 0.867 113 S HN 0.518 nan 8.310 nan 0.000 0.449 114 I N 1.747 122.315 120.570 -0.004 0.000 2.264 114 I HA -0.173 3.999 4.170 0.003 0.000 0.248 114 I C 2.692 178.811 176.117 0.003 0.000 1.111 114 I CA 1.109 62.413 61.300 0.006 0.000 1.382 114 I CB -0.496 37.504 38.000 0.001 0.000 1.060 114 I HN 0.385 nan 8.210 nan 0.000 0.418 115 A N 0.033 122.850 122.820 -0.006 0.000 2.125 115 A HA -0.198 4.124 4.320 0.003 0.000 0.219 115 A C 2.103 179.688 177.584 0.001 0.000 1.156 115 A CA 1.151 53.185 52.037 -0.006 0.000 0.671 115 A CB -0.329 18.663 19.000 -0.012 0.000 0.794 115 A HN 0.406 nan 8.150 nan 0.000 0.459 116 Q N -1.169 118.633 119.800 0.003 0.000 2.369 116 Q HA 0.057 4.399 4.340 0.003 0.000 0.206 116 Q C 1.268 177.277 176.000 0.015 0.000 0.963 116 Q CA 0.872 56.679 55.803 0.007 0.000 0.894 116 Q CB -0.553 28.188 28.738 0.003 0.000 0.965 116 Q HN 1.087 nan 8.270 nan 0.000 0.475 117 G N 0.209 109.021 108.800 0.020 0.000 2.204 117 G HA2 -0.175 3.786 3.960 0.003 0.000 0.244 117 G HA3 -0.175 3.786 3.960 0.003 0.000 0.244 117 G C 0.416 175.349 174.900 0.055 0.000 1.062 117 G CA 0.376 45.494 45.100 0.030 0.000 0.798 117 G HN 0.530 nan 8.290 nan 0.000 0.496 118 A N -0.997 121.866 122.820 0.072 0.000 2.635 118 A HA 0.731 5.052 4.320 0.003 0.000 0.279 118 A C 1.580 179.280 177.584 0.193 0.000 1.122 118 A CA 1.365 53.471 52.037 0.114 0.000 0.965 118 A CB 0.269 19.298 19.000 0.048 0.000 1.221 118 A HN 0.775 nan 8.150 nan 0.000 0.566 119 S N -1.118 114.690 115.700 0.181 0.000 2.502 119 S HA 0.364 4.836 4.470 0.003 0.000 0.215 119 S C 1.554 176.322 174.600 0.280 0.000 1.009 119 S CA 0.724 59.060 58.200 0.227 0.000 0.908 119 S CB 0.424 63.690 63.200 0.110 0.000 0.801 119 S HN 1.677 nan 8.310 nan 0.000 0.505 120 G N 1.913 110.804 108.800 0.151 0.000 2.162 120 G HA2 -0.244 3.718 3.960 0.003 0.000 0.260 120 G HA3 -0.244 3.718 3.960 0.003 0.000 0.260 120 G C 0.247 175.132 174.900 -0.026 0.000 0.976 120 G CA 0.047 45.136 45.100 -0.017 0.000 0.655 120 G HN 0.901 nan 8.290 nan 0.000 0.533 121 A N 0.431 123.254 122.820 0.005 0.000 2.540 121 A HA 0.581 4.903 4.320 0.003 0.000 0.239 121 A C 1.176 178.707 177.584 -0.088 0.000 1.061 121 A CA 1.080 53.100 52.037 -0.028 0.000 0.758 121 A CB 0.162 19.154 19.000 -0.014 0.000 0.991 121 A HN 2.052 nan 8.150 nan 0.000 0.502 122 S N 1.722 117.327 115.700 -0.158 0.000 2.614 122 S HA 0.185 4.656 4.470 0.003 0.000 0.265 122 S C 0.708 175.193 174.600 -0.192 0.000 1.303 122 S CA 0.158 58.184 58.200 -0.289 0.000 1.000 122 S CB 0.671 63.464 63.200 -0.679 0.000 0.935 122 S HN 0.712 nan 8.310 nan 0.000 0.551 123 E N 1.479 121.571 120.200 -0.180 0.000 2.118 123 E HA -0.100 4.252 4.350 0.003 0.000 0.195 123 E C 2.135 178.684 176.600 -0.086 0.000 0.992 123 E CA 1.182 57.521 56.400 -0.103 0.000 0.804 123 E CB -0.742 28.912 29.700 -0.077 0.000 0.741 123 E HN 0.891 nan 8.360 nan 0.000 0.458 124 G N 0.529 109.265 108.800 -0.107 0.000 2.418 124 G HA2 -0.258 3.703 3.960 0.003 0.000 0.217 124 G HA3 -0.258 3.703 3.960 0.003 0.000 0.217 124 G C 1.642 176.515 174.900 -0.045 0.000 1.158 124 G CA 1.244 46.310 45.100 -0.056 0.000 0.771 124 G HN 0.180 nan 8.290 nan 0.000 0.545 125 T N 1.303 115.818 114.554 -0.065 0.000 2.746 125 T HA -0.042 4.310 4.350 0.003 0.000 0.267 125 T C 2.380 177.061 174.700 -0.032 0.000 1.039 125 T CA 0.927 63.004 62.100 -0.039 0.000 1.142 125 T CB -0.148 68.695 68.868 -0.043 0.000 0.866 125 T HN 0.242 nan 8.240 nan 0.000 0.444 126 I N 1.231 121.776 120.570 -0.042 0.000 2.226 126 I HA -0.159 4.013 4.170 0.003 0.000 0.245 126 I C 2.882 178.983 176.117 -0.026 0.000 1.100 126 I CA 0.993 62.273 61.300 -0.032 0.000 1.374 126 I CB -0.442 37.537 38.000 -0.036 0.000 1.057 126 I HN 0.188 nan 8.210 nan 0.000 0.413 127 A N 0.815 123.619 122.820 -0.026 0.000 1.933 127 A HA -0.178 4.144 4.320 0.003 0.000 0.218 127 A C 2.327 179.904 177.584 -0.012 0.000 1.175 127 A CA 1.270 53.296 52.037 -0.019 0.000 0.628 127 A CB -0.384 18.605 19.000 -0.018 0.000 0.814 127 A HN 0.254 nan 8.150 nan 0.000 0.444 128 R N -0.189 120.307 120.500 -0.008 0.000 2.092 128 R HA -0.014 4.328 4.340 0.003 0.000 0.231 128 R C 2.020 178.323 176.300 0.004 0.000 1.119 128 R CA 1.143 57.246 56.100 0.005 0.000 0.970 128 R CB -0.996 29.312 30.300 0.013 0.000 0.864 128 R HN 0.593 nan 8.270 nan 0.000 0.440 129 L N 0.185 121.403 121.223 -0.008 0.000 2.056 129 L HA -0.083 4.259 4.340 0.003 0.000 0.207 129 L C 2.492 179.348 176.870 -0.022 0.000 1.078 129 L CA 1.097 55.928 54.840 -0.016 0.000 0.749 129 L CB -0.463 41.581 42.059 -0.024 0.000 0.901 129 L HN 0.058 nan 8.230 nan 0.000 0.433 130 I N -0.040 120.516 120.570 -0.022 0.000 2.226 130 I HA -0.289 3.883 4.170 0.003 0.000 0.245 130 I C 2.119 178.224 176.117 -0.021 0.000 1.100 130 I CA 1.169 62.455 61.300 -0.024 0.000 1.374 130 I CB -0.383 37.604 38.000 -0.021 0.000 1.057 130 I HN 0.263 nan 8.210 nan 0.000 0.413 131 D N 0.751 121.142 120.400 -0.014 0.000 2.104 131 D HA -0.179 4.463 4.640 0.003 0.000 0.194 131 D C 2.138 178.431 176.300 -0.012 0.000 0.994 131 D CA 0.965 54.958 54.000 -0.012 0.000 0.830 131 D CB -0.359 40.436 40.800 -0.009 0.000 0.959 131 D HN 0.144 nan 8.370 nan 0.000 0.452 132 L N 0.828 122.049 121.223 -0.003 0.000 2.012 132 L HA -0.158 4.183 4.340 0.003 0.000 0.210 132 L C 2.155 179.005 176.870 -0.033 0.000 1.073 132 L CA 1.471 56.314 54.840 0.005 0.000 0.748 132 L CB -0.924 41.154 42.059 0.032 0.000 0.891 132 L HN 0.104 nan 8.230 nan 0.000 0.431 133 L N 0.069 121.260 121.223 -0.053 0.000 2.131 133 L HA -0.204 4.138 4.340 0.003 0.000 0.210 133 L C 2.020 178.859 176.870 -0.051 0.000 1.092 133 L CA 0.923 55.713 54.840 -0.083 0.000 0.759 133 L CB -0.589 41.421 42.059 -0.082 0.000 0.903 133 L HN 0.367 nan 8.230 nan 0.000 0.435 134 N N -0.502 118.183 118.700 -0.025 0.000 2.422 134 N HA -0.020 4.722 4.740 0.003 0.000 0.181 134 N C 0.960 176.479 175.510 0.015 0.000 1.080 134 N CA 0.451 53.498 53.050 -0.005 0.000 0.893 134 N CB 0.129 38.612 38.487 -0.006 0.000 0.973 134 N HN 0.347 nan 8.380 nan 0.000 0.456 135 S N 0.076 115.785 115.700 0.015 0.000 2.671 135 S HA 0.257 4.729 4.470 0.003 0.000 0.272 135 S C 0.675 175.342 174.600 0.112 0.000 1.174 135 S CA -0.532 57.689 58.200 0.036 0.000 1.004 135 S CB 1.181 64.383 63.200 0.004 0.000 1.077 135 S HN 0.070 nan 8.310 nan 0.000 0.553 136 E N -0.023 120.271 120.200 0.155 0.000 2.419 136 E HA 0.305 4.657 4.350 0.003 0.000 0.190 136 E C -0.409 176.490 176.600 0.499 0.000 1.040 136 E CA -0.066 56.526 56.400 0.320 0.000 0.900 136 E CB -0.069 29.729 29.700 0.164 0.000 1.054 136 E HN 0.442 nan 8.360 nan 0.000 0.462 137 L N 0.295 121.712 121.223 0.323 0.000 2.331 137 L HA 0.756 5.098 4.340 0.003 0.000 0.268 137 L C -0.172 176.795 176.870 0.160 0.000 1.015 137 L CA -1.093 53.961 54.840 0.357 0.000 0.807 137 L CB 1.561 43.709 42.059 0.149 0.000 1.293 137 L HN -0.088 nan 8.230 nan 0.000 0.451 138 A N 1.126 124.064 122.820 0.197 0.000 2.515 138 A HA 0.819 5.141 4.320 0.003 0.000 0.298 138 A C -2.789 174.869 177.584 0.122 0.000 1.059 138 A CA -1.451 50.557 52.037 -0.048 0.000 0.698 138 A CB 1.852 20.637 19.000 -0.357 0.000 1.289 138 A HN 0.365 nan 8.150 nan 0.000 0.404 139 P HA 0.366 nan 4.420 nan 0.000 0.275 139 P C -0.330 176.872 177.300 -0.164 0.000 1.228 139 P CA 0.080 63.025 63.100 -0.258 0.000 0.786 139 P CB 1.254 32.807 31.700 -0.244 0.000 0.927 140 A N 3.424 126.120 122.820 -0.206 0.000 2.316 140 A HA 0.452 4.774 4.320 0.003 0.000 0.311 140 A C -0.176 177.334 177.584 -0.125 0.000 1.339 140 A CA -0.379 51.596 52.037 -0.104 0.000 0.960 140 A CB -0.367 18.590 19.000 -0.071 0.000 1.152 140 A HN 0.357 nan 8.150 nan 0.000 0.547 141 V N 5.917 125.764 119.914 -0.112 0.000 2.487 141 V HA 0.407 4.529 4.120 0.003 0.000 0.298 141 V C -2.202 173.786 176.094 -0.177 0.000 1.028 141 V CA -1.769 60.442 62.300 -0.148 0.000 0.860 141 V CB 2.033 33.801 31.823 -0.092 0.000 0.991 141 V HN 0.811 nan 8.190 nan 0.000 0.427 142 P HA 0.077 nan 4.420 nan 0.000 0.268 142 P C 0.728 177.941 177.300 -0.144 0.000 1.205 142 P CA 0.086 63.046 63.100 -0.234 0.000 0.771 142 P CB 1.074 32.564 31.700 -0.350 0.000 0.858 143 S N 2.893 118.544 115.700 -0.082 0.000 2.461 143 S HA 0.002 4.474 4.470 0.003 0.000 0.228 143 S C 0.860 175.442 174.600 -0.031 0.000 1.005 143 S CA 0.163 58.336 58.200 -0.044 0.000 0.942 143 S CB -0.124 63.063 63.200 -0.021 0.000 0.776 143 S HN 0.413 nan 8.310 nan 0.000 0.514 144 R N -0.119 120.360 120.500 -0.036 0.000 2.668 144 R HA 0.616 4.958 4.340 0.003 0.000 0.279 144 R C 0.784 177.079 176.300 -0.009 0.000 0.976 144 R CA 0.008 56.098 56.100 -0.016 0.000 0.978 144 R CB 1.464 31.758 30.300 -0.011 0.000 1.133 144 R HN 0.344 nan 8.270 nan 0.000 0.484 145 G N 0.219 109.025 108.800 0.009 0.000 2.813 145 G HA2 -0.210 3.751 3.960 0.003 0.000 0.194 145 G HA3 -0.210 3.751 3.960 0.003 0.000 0.194 145 G C 0.051 174.967 174.900 0.026 0.000 1.010 145 G CA -0.097 45.017 45.100 0.024 0.000 0.771 145 G HN 0.597 nan 8.290 nan 0.000 0.485 146 T N 0.827 115.393 114.554 0.020 0.000 2.867 146 T HA 0.526 4.878 4.350 0.003 0.000 0.282 146 T C 1.413 176.128 174.700 0.025 0.000 1.000 146 T CA 0.417 62.528 62.100 0.019 0.000 1.042 146 T CB 1.632 70.507 68.868 0.011 0.000 0.973 146 T HN 1.137 nan 8.240 nan 0.000 0.465 147 V N 1.669 121.600 119.914 0.028 0.000 3.514 147 V HA 0.589 4.711 4.120 0.003 0.000 0.301 147 V C 1.170 177.291 176.094 0.046 0.000 1.346 147 V CA 0.207 62.531 62.300 0.039 0.000 1.156 147 V CB -1.416 30.433 31.823 0.042 0.000 1.029 147 V HN 1.349 nan 8.190 nan 0.000 0.428 153 L N -0.308 120.874 121.223 -0.068 0.000 2.017 153 L HA -0.139 4.203 4.340 0.003 0.000 0.208 153 L C 2.385 179.190 176.870 -0.108 0.000 1.073 153 L CA 1.447 56.221 54.840 -0.110 0.000 0.745 153 L CB -0.608 41.360 42.059 -0.152 0.000 0.894 153 L HN 0.100 nan 8.230 nan 0.000 0.432 154 T N 0.446 114.963 114.554 -0.061 0.000 2.652 154 T HA -0.093 4.259 4.350 0.003 0.000 0.267 154 T C -0.444 174.309 174.700 0.088 0.000 1.039 154 T CA 1.764 63.859 62.100 -0.009 0.000 1.153 154 T CB -1.158 67.735 68.868 0.042 0.000 0.863 154 T HN 0.313 nan 8.240 nan 0.000 0.428 155 P HA 0.014 nan 4.420 nan 0.000 0.218 155 P C 1.573 178.893 177.300 0.034 0.000 1.149 155 P CA 0.982 64.120 63.100 0.063 0.000 0.817 155 P CB -0.223 31.480 31.700 0.005 0.000 0.785 156 L N -0.662 120.550 121.223 -0.017 0.000 2.156 156 L HA -0.071 4.271 4.340 0.003 0.000 0.208 156 L C 2.798 179.621 176.870 -0.078 0.000 1.095 156 L CA 1.270 56.081 54.840 -0.047 0.000 0.770 156 L CB -1.063 40.960 42.059 -0.059 0.000 0.914 156 L HN -0.059 nan 8.230 nan 0.000 0.439 157 A N -0.793 121.954 122.820 -0.121 0.000 1.902 157 A HA -0.229 4.092 4.320 0.003 0.000 0.217 157 A C 2.137 179.600 177.584 -0.201 0.000 1.181 157 A CA 1.352 53.262 52.037 -0.212 0.000 0.623 157 A CB -0.740 18.068 19.000 -0.320 0.000 0.818 157 A HN 0.402 nan 8.150 nan 0.000 0.443 158 H N -1.182 117.822 119.070 -0.109 0.000 2.387 158 H HA -0.109 4.449 4.556 0.003 0.000 0.299 158 H C 2.114 177.368 175.328 -0.123 0.000 1.090 158 H CA 1.775 57.761 56.048 -0.103 0.000 1.332 158 H CB -0.296 29.410 29.762 -0.093 0.000 1.386 158 H HN 0.602 nan 8.280 nan 0.000 0.516 159 M N 0.613 120.211 119.600 -0.004 0.000 2.080 159 M HA -0.161 4.321 4.480 0.003 0.000 0.260 159 M C 2.140 178.391 176.300 -0.082 0.000 1.068 159 M CA 1.410 56.670 55.300 -0.067 0.000 1.109 159 M CB -0.156 32.409 32.600 -0.058 0.000 1.342 159 M HN -0.002 nan 8.290 nan 0.000 0.405 160 V N 1.312 121.179 119.914 -0.077 0.000 2.287 160 V HA -0.310 3.812 4.120 0.003 0.000 0.248 160 V C 2.457 178.512 176.094 -0.066 0.000 1.053 160 V CA 1.879 64.136 62.300 -0.072 0.000 1.027 160 V CB -0.774 30.993 31.823 -0.094 0.000 0.646 160 V HN 0.552 nan 8.190 nan 0.000 0.447 161 L N -0.876 120.299 121.223 -0.081 0.000 2.042 161 L HA -0.234 4.108 4.340 0.003 0.000 0.210 161 L C 2.651 179.483 176.870 -0.063 0.000 1.076 161 L CA 1.691 56.497 54.840 -0.057 0.000 0.749 161 L CB -0.774 41.249 42.059 -0.059 0.000 0.893 161 L HN 0.409 nan 8.230 nan 0.000 0.432 162 C N -0.155 119.061 119.300 -0.139 0.000 2.432 162 C HA -0.145 4.317 4.460 0.003 0.000 0.277 162 C C 2.658 177.557 174.990 -0.150 0.000 1.249 162 C CA 0.382 59.209 59.018 -0.318 0.000 1.725 162 C CB -0.845 26.539 27.740 -0.593 0.000 2.028 162 C HN 0.440 nan 8.230 nan 0.000 0.477 163 L N 0.359 121.559 121.223 -0.038 0.000 2.450 163 L HA -0.160 4.182 4.340 0.003 0.000 0.224 163 L C 2.318 179.260 176.870 0.119 0.000 1.149 163 L CA 1.238 56.150 54.840 0.120 0.000 0.816 163 L CB -0.596 41.498 42.059 0.059 0.000 0.932 163 L HN 0.537 nan 8.230 nan 0.000 0.449 164 Q N -0.552 119.290 119.800 0.070 0.000 2.319 164 Q HA 0.155 4.496 4.340 0.003 0.000 0.202 164 Q C 1.300 177.355 176.000 0.091 0.000 0.896 164 Q CA 0.469 56.310 55.803 0.064 0.000 0.942 164 Q CB 0.797 29.553 28.738 0.031 0.000 1.083 164 Q HN 0.507 nan 8.270 nan 0.000 0.510 165 G N 1.845 110.731 108.800 0.144 0.000 2.136 165 G HA2 -0.312 3.650 3.960 0.003 0.000 0.242 165 G HA3 -0.312 3.650 3.960 0.003 0.000 0.242 165 G C 0.494 175.458 174.900 0.107 0.000 0.989 165 G CA 0.079 45.285 45.100 0.176 0.000 0.682 165 G HN 0.315 nan 8.290 nan 0.000 0.522 166 R N 0.022 120.558 120.500 0.060 0.000 2.552 166 R HA 0.481 4.823 4.340 0.003 0.000 0.314 166 R C 0.973 177.280 176.300 0.011 0.000 1.041 166 R CA 0.481 56.604 56.100 0.037 0.000 1.076 166 R CB 0.821 31.143 30.300 0.036 0.000 1.290 166 R HN 0.558 nan 8.270 nan 0.000 0.563 167 G N -0.359 108.431 108.800 -0.016 0.000 2.677 167 G HA2 0.216 4.178 3.960 0.003 0.000 0.291 167 G HA3 0.216 4.178 3.960 0.003 0.000 0.291 167 G C -1.490 173.342 174.900 -0.115 0.000 1.435 167 G CA -0.696 44.367 45.100 -0.063 0.000 0.826 167 G HN -0.120 nan 8.290 nan 0.000 0.491 168 D N -0.553 119.791 120.400 -0.092 0.000 2.371 168 D HA 0.581 5.222 4.640 0.003 0.000 0.242 168 D C -0.472 175.705 176.300 -0.206 0.000 1.218 168 D CA 0.528 54.505 54.000 -0.039 0.000 0.945 168 D CB 0.844 41.651 40.800 0.012 0.000 1.137 168 D HN 0.104 nan 8.370 nan 0.000 0.464 169 F N -0.784 119.190 119.950 0.040 0.000 2.631 169 F HA 0.515 5.044 4.527 0.003 0.000 0.328 169 F C -0.221 175.625 175.800 0.077 0.000 1.067 169 F CA -0.901 57.131 58.000 0.053 0.000 0.969 169 F CB 1.248 40.280 39.000 0.053 0.000 1.332 169 F HN -0.080 nan 8.300 nan 0.000 0.490 170 L N 1.748 123.176 121.223 0.341 0.000 2.365 170 L HA 0.415 4.757 4.340 0.003 0.000 0.273 170 L C -0.963 176.134 176.870 0.378 0.000 1.000 170 L CA -1.038 53.979 54.840 0.296 0.000 0.819 170 L CB 1.838 44.076 42.059 0.298 0.000 1.284 170 L HN 0.590 nan 8.230 nan 0.000 0.418 171 D N 1.901 122.425 120.400 0.207 0.000 2.432 171 D HA 0.200 4.841 4.640 0.003 0.000 0.258 171 D C 0.830 177.013 176.300 -0.195 0.000 1.146 171 D CA -0.581 53.478 54.000 0.097 0.000 1.015 171 D CB 0.988 41.795 40.800 0.012 0.000 1.107 171 D HN 0.371 nan 8.370 nan 0.000 0.529 172 R N -0.331 119.811 120.500 -0.597 0.000 2.133 172 R HA -0.144 4.197 4.340 0.003 0.000 0.247 172 R C 1.014 176.950 176.300 -0.608 0.000 1.151 172 R CA 1.748 57.111 56.100 -1.229 0.000 0.971 172 R CB -0.224 29.492 30.300 -0.975 0.000 0.866 172 R HN 0.560 nan 8.270 nan 0.000 0.447 173 D N -1.313 118.903 120.400 -0.307 0.000 2.347 173 D HA -0.000 4.641 4.640 0.003 0.000 0.215 173 D C 1.288 177.540 176.300 -0.079 0.000 0.976 173 D CA 1.242 55.146 54.000 -0.161 0.000 0.884 173 D CB 0.468 41.205 40.800 -0.106 0.000 0.915 173 D HN 0.514 nan 8.370 nan 0.000 0.526 174 G N 1.206 109.979 108.800 -0.045 0.000 2.176 174 G HA2 -0.264 3.697 3.960 0.003 0.000 0.232 174 G HA3 -0.264 3.697 3.960 0.003 0.000 0.232 174 G C 0.648 175.574 174.900 0.043 0.000 0.986 174 G CA 0.417 45.540 45.100 0.038 0.000 0.643 174 G HN 0.439 nan 8.290 nan 0.000 0.522 175 T N -0.269 114.298 114.554 0.022 0.000 2.888 175 T HA 0.556 4.908 4.350 0.003 0.000 0.301 175 T C 0.544 175.281 174.700 0.061 0.000 1.001 175 T CA -0.055 62.062 62.100 0.030 0.000 1.147 175 T CB 1.139 70.014 68.868 0.013 0.000 0.931 175 T HN 0.525 nan 8.240 nan 0.000 0.541 176 R N 2.269 122.805 120.500 0.060 0.000 2.410 176 R HA 0.617 4.959 4.340 0.003 0.000 0.288 176 R C -0.323 176.029 176.300 0.087 0.000 1.051 176 R CA -0.677 55.471 56.100 0.081 0.000 1.021 176 R CB 0.809 31.145 30.300 0.060 0.000 1.032 176 R HN 0.610 nan 8.270 nan 0.000 0.481 177 L N 1.612 122.912 121.223 0.129 0.000 2.370 177 L HA 0.351 4.693 4.340 0.003 0.000 0.266 177 L C -0.321 176.645 176.870 0.159 0.000 1.002 177 L CA -1.307 53.610 54.840 0.127 0.000 0.818 177 L CB 1.989 44.128 42.059 0.133 0.000 1.325 177 L HN 0.667 nan 8.230 nan 0.000 0.418 178 D N 0.750 121.223 120.400 0.122 0.000 2.371 178 D HA 0.148 4.789 4.640 0.003 0.000 0.242 178 D C 1.266 177.689 176.300 0.205 0.000 1.218 178 D CA -0.076 54.000 54.000 0.125 0.000 0.945 178 D CB 0.876 41.724 40.800 0.080 0.000 1.137 178 D HN 0.584 nan 8.370 nan 0.000 0.464 179 G N -0.149 108.769 108.800 0.197 0.000 2.491 179 G HA2 -0.267 3.694 3.960 0.003 0.000 0.218 179 G HA3 -0.267 3.694 3.960 0.003 0.000 0.218 179 G C 1.509 176.547 174.900 0.229 0.000 1.180 179 G CA 1.528 46.802 45.100 0.289 0.000 0.774 179 G HN 0.683 nan 8.290 nan 0.000 0.562 180 A N 0.678 123.573 122.820 0.125 0.000 1.908 180 A HA -0.058 4.264 4.320 0.003 0.000 0.218 180 A C 2.217 179.823 177.584 0.036 0.000 1.181 180 A CA 2.334 54.413 52.037 0.070 0.000 0.627 180 A CB -0.469 18.561 19.000 0.050 0.000 0.818 180 A HN 0.425 nan 8.150 nan 0.000 0.445 181 E N 0.116 120.342 120.200 0.043 0.000 2.077 181 E HA -0.039 4.313 4.350 0.003 0.000 0.193 181 E C 1.978 178.547 176.600 -0.052 0.000 0.989 181 E CA 1.611 58.016 56.400 0.009 0.000 0.800 181 E CB -0.877 28.841 29.700 0.031 0.000 0.746 181 E HN 0.388 nan 8.360 nan 0.000 0.452 182 G N 0.925 109.691 108.800 -0.056 0.000 2.421 182 G HA2 -0.238 3.724 3.960 0.003 0.000 0.216 182 G HA3 -0.238 3.724 3.960 0.003 0.000 0.216 182 G C 1.630 176.180 174.900 -0.584 0.000 1.171 182 G CA 0.999 45.846 45.100 -0.423 0.000 0.775 182 G HN 0.316 nan 8.290 nan 0.000 0.543 183 L N -0.299 120.719 121.223 -0.341 0.000 2.083 183 L HA -0.066 4.276 4.340 0.003 0.000 0.209 183 L C 3.237 180.013 176.870 -0.156 0.000 1.083 183 L CA 0.888 55.594 54.840 -0.223 0.000 0.752 183 L CB -0.369 41.660 42.059 -0.050 0.000 0.899 183 L HN 0.097 nan 8.230 nan 0.000 0.433 184 R N -0.026 120.408 120.500 -0.109 0.000 2.057 184 R HA -0.104 4.237 4.340 0.003 0.000 0.229 184 R C 2.266 178.515 176.300 -0.084 0.000 1.136 184 R CA 1.154 57.210 56.100 -0.073 0.000 0.952 184 R CB -0.685 29.589 30.300 -0.042 0.000 0.848 184 R HN 0.301 nan 8.270 nan 0.000 0.430 185 R N 0.091 120.531 120.500 -0.100 0.000 2.096 185 R HA -0.085 4.257 4.340 0.003 0.000 0.235 185 R C 1.896 178.138 176.300 -0.097 0.000 1.127 185 R CA 1.792 57.842 56.100 -0.084 0.000 0.968 185 R CB -0.450 29.805 30.300 -0.075 0.000 0.861 185 R HN 0.306 nan 8.270 nan 0.000 0.440 186 G N -0.538 108.166 108.800 -0.161 0.000 2.985 186 G HA2 -0.037 3.925 3.960 0.003 0.000 0.209 186 G HA3 -0.037 3.925 3.960 0.003 0.000 0.209 186 G C -0.209 174.631 174.900 -0.101 0.000 1.165 186 G CA -0.201 44.816 45.100 -0.139 0.000 0.776 186 G HN 0.332 nan 8.290 nan 0.000 0.541 187 R N -1.018 119.426 120.500 -0.093 0.000 3.267 187 R HA -0.132 4.210 4.340 0.003 0.000 0.254 187 R C -0.765 175.499 176.300 -0.059 0.000 0.993 187 R CA 0.347 56.410 56.100 -0.061 0.000 0.670 187 R CB -2.333 27.943 30.300 -0.040 0.000 1.125 187 R HN 0.341 nan 8.270 nan 0.000 0.434 188 L N 0.575 121.750 121.223 -0.080 0.000 2.334 188 L HA 0.399 4.741 4.340 0.003 0.000 0.276 188 L C 0.645 177.499 176.870 -0.027 0.000 1.014 188 L CA -0.873 53.934 54.840 -0.055 0.000 0.815 188 L CB 1.869 43.878 42.059 -0.084 0.000 1.268 188 L HN 0.101 nan 8.230 nan 0.000 0.428 189 Q N 3.110 122.907 119.800 -0.004 0.000 2.230 189 Q HA 0.359 4.700 4.340 0.003 0.000 0.248 189 Q C -2.262 173.754 176.000 0.028 0.000 0.915 189 Q CA -1.865 53.943 55.803 0.009 0.000 0.900 189 Q CB 1.435 30.178 28.738 0.009 0.000 1.229 189 Q HN 0.342 nan 8.270 nan 0.000 0.439 190 P HA -0.055 nan 4.420 nan 0.000 0.268 190 P C -0.723 176.602 177.300 0.042 0.000 1.204 190 P CA -0.322 62.807 63.100 0.049 0.000 0.768 190 P CB 0.545 32.271 31.700 0.043 0.000 0.842 191 L N 3.222 124.472 121.223 0.045 0.000 2.455 191 L HA 0.185 4.526 4.340 0.003 0.000 0.272 191 L C -0.022 176.866 176.870 0.029 0.000 1.174 191 L CA 0.689 55.548 54.840 0.032 0.000 0.869 191 L CB -0.507 41.567 42.059 0.025 0.000 1.130 191 L HN 0.306 nan 8.230 nan 0.000 0.474 192 D N 4.737 125.158 120.400 0.036 0.000 2.471 192 D HA 0.237 4.879 4.640 0.003 0.000 0.245 192 D C -0.217 176.123 176.300 0.066 0.000 1.116 192 D CA -0.206 53.821 54.000 0.046 0.000 0.853 192 D CB 0.745 41.578 40.800 0.056 0.000 1.123 192 D HN 0.607 nan 8.370 nan 0.000 0.540 193 L N 3.215 124.466 121.223 0.048 0.000 2.912 193 L HA 0.114 4.456 4.340 0.003 0.000 0.240 193 L C 1.892 178.802 176.870 0.067 0.000 1.262 193 L CA -0.158 54.718 54.840 0.060 0.000 1.058 193 L CB -0.167 41.904 42.059 0.021 0.000 1.383 193 L HN 0.378 nan 8.230 nan 0.000 0.512 194 S N -2.072 113.666 115.700 0.064 0.000 2.442 194 S HA -0.212 4.260 4.470 0.003 0.000 0.236 194 S C 1.472 176.034 174.600 -0.064 0.000 1.007 194 S CA 0.939 59.128 58.200 -0.019 0.000 0.965 194 S CB -0.416 62.737 63.200 -0.078 0.000 0.773 194 S HN 0.543 nan 8.310 nan 0.000 0.504 195 H N 1.503 120.566 119.070 -0.010 0.000 2.556 195 H HA 0.348 4.906 4.556 0.003 0.000 0.268 195 H C 0.670 175.989 175.328 -0.015 0.000 0.996 195 H CA 0.548 56.586 56.048 -0.016 0.000 1.157 195 H CB -0.102 29.647 29.762 -0.021 0.000 1.355 195 H HN 0.375 nan 8.280 nan 0.000 0.597 196 R N 0.764 121.318 120.500 0.091 0.000 3.656 196 R HA -0.127 4.214 4.340 0.003 0.000 0.297 196 R C -0.729 175.617 176.300 0.078 0.000 1.166 196 R CA 0.823 56.962 56.100 0.066 0.000 0.799 196 R CB -1.859 28.468 30.300 0.045 0.000 1.285 196 R HN 0.534 nan 8.270 nan 0.000 0.477 197 D N -0.833 119.616 120.400 0.081 0.000 2.491 197 D HA 0.224 4.866 4.640 0.003 0.000 0.228 197 D C 1.246 177.582 176.300 0.060 0.000 1.183 197 D CA 0.351 54.392 54.000 0.068 0.000 0.827 197 D CB 0.322 41.144 40.800 0.036 0.000 0.989 197 D HN 0.303 nan 8.370 nan 0.000 0.494 198 A N 0.445 123.298 122.820 0.055 0.000 1.940 198 A HA -0.116 4.206 4.320 0.003 0.000 0.219 198 A C 1.937 179.536 177.584 0.025 0.000 1.176 198 A CA 0.800 52.849 52.037 0.021 0.000 0.631 198 A CB -0.517 18.483 19.000 -0.000 0.000 0.814 198 A HN 0.285 nan 8.150 nan 0.000 0.446 199 L N -0.641 120.630 121.223 0.080 0.000 2.549 199 L HA -0.010 4.332 4.340 0.003 0.000 0.229 199 L C 2.625 179.547 176.870 0.087 0.000 1.158 199 L CA 1.173 56.071 54.840 0.098 0.000 0.842 199 L CB -0.460 41.713 42.059 0.190 0.000 0.952 199 L HN 0.388 nan 8.230 nan 0.000 0.452 200 A N -1.179 121.689 122.820 0.080 0.000 2.067 200 A HA 0.044 4.365 4.320 0.003 0.000 0.217 200 A C 2.112 179.712 177.584 0.026 0.000 1.156 200 A CA 1.002 53.078 52.037 0.066 0.000 0.683 200 A CB -0.231 18.806 19.000 0.062 0.000 0.808 200 A HN 0.399 nan 8.150 nan 0.000 0.455 201 L N -1.160 120.067 121.223 0.006 0.000 2.425 201 L HA 0.130 4.472 4.340 0.003 0.000 0.215 201 L C 0.044 176.892 176.870 -0.036 0.000 1.065 201 L CA 0.202 55.031 54.840 -0.018 0.000 0.842 201 L CB 0.381 42.422 42.059 -0.029 0.000 1.033 201 L HN 0.040 nan 8.230 nan 0.000 0.474 202 V N 1.952 121.837 119.914 -0.048 0.000 2.218 202 V HA 0.377 4.499 4.120 0.003 0.000 0.261 202 V C -0.484 175.580 176.094 -0.049 0.000 1.142 202 V CA -0.206 62.043 62.300 -0.084 0.000 0.965 202 V CB -0.259 31.471 31.823 -0.156 0.000 1.190 202 V HN 0.326 nan 8.190 nan 0.000 0.478 203 N N 1.819 120.504 118.700 -0.025 0.000 3.348 203 N HA 0.516 5.258 4.740 0.003 0.000 0.233 203 N C -0.048 175.479 175.510 0.028 0.000 1.440 203 N CA 0.609 53.665 53.050 0.010 0.000 0.887 203 N CB 2.222 40.736 38.487 0.045 0.000 1.410 203 N HN 0.743 nan 8.380 nan 0.000 0.502 204 G N -0.010 108.840 108.800 0.083 0.000 2.645 204 G HA2 -0.240 3.722 3.960 0.003 0.000 0.239 204 G HA3 -0.240 3.722 3.960 0.003 0.000 0.239 204 G C 0.196 175.139 174.900 0.072 0.000 1.331 204 G CA 0.534 45.688 45.100 0.090 0.000 0.890 204 G HN 1.236 nan 8.290 nan 0.000 0.572 205 T N -3.157 111.425 114.554 0.046 0.000 3.269 205 T HA 0.572 4.924 4.350 0.003 0.000 0.269 205 T C 1.808 176.512 174.700 0.006 0.000 0.993 205 T CA 0.974 63.093 62.100 0.032 0.000 0.909 205 T CB 0.461 69.346 68.868 0.028 0.000 1.115 205 T HN 0.833 nan 8.240 nan 0.000 0.543 206 S N 1.777 117.476 115.700 -0.001 0.000 2.374 206 S HA -0.090 4.382 4.470 0.003 0.000 0.227 206 S C 2.478 177.068 174.600 -0.017 0.000 1.037 206 S CA 1.362 59.553 58.200 -0.016 0.000 1.024 206 S CB -0.621 62.566 63.200 -0.022 0.000 0.861 206 S HN 0.835 nan 8.310 nan 0.000 0.456 207 A N 2.606 125.420 122.820 -0.011 0.000 1.855 207 A HA -0.095 4.227 4.320 0.003 0.000 0.215 207 A C 2.282 179.867 177.584 0.001 0.000 1.191 207 A CA 1.801 53.833 52.037 -0.009 0.000 0.613 207 A CB -0.799 18.197 19.000 -0.006 0.000 0.829 207 A HN 0.668 nan 8.150 nan 0.000 0.442 208 M N -1.546 118.059 119.600 0.008 0.000 2.213 208 M HA -0.079 4.402 4.480 0.003 0.000 0.263 208 M C 1.791 178.097 176.300 0.010 0.000 1.062 208 M CA 2.265 57.574 55.300 0.016 0.000 1.105 208 M CB -1.279 31.334 32.600 0.020 0.000 1.385 208 M HN 0.159 nan 8.290 nan 0.000 0.417 209 T N 1.192 115.743 114.554 -0.005 0.000 2.777 209 T HA 0.009 4.361 4.350 0.003 0.000 0.266 209 T C 1.984 176.681 174.700 -0.005 0.000 1.040 209 T CA 1.644 63.733 62.100 -0.019 0.000 1.141 209 T CB -0.741 68.107 68.868 -0.033 0.000 0.868 209 T HN 0.715 nan 8.240 nan 0.000 0.444 210 G N 1.315 110.111 108.800 -0.007 0.000 2.418 210 G HA2 -0.123 3.838 3.960 0.003 0.000 0.217 210 G HA3 -0.123 3.838 3.960 0.003 0.000 0.217 210 G C 1.526 176.439 174.900 0.023 0.000 1.158 210 G CA 0.488 45.584 45.100 -0.007 0.000 0.771 210 G HN 0.485 nan 8.290 nan 0.000 0.545 211 I N 1.379 121.967 120.570 0.030 0.000 2.179 211 I HA -0.154 4.018 4.170 0.003 0.000 0.242 211 I C 3.288 179.457 176.117 0.087 0.000 1.088 211 I CA 1.010 62.342 61.300 0.055 0.000 1.357 211 I CB -0.242 37.787 38.000 0.048 0.000 1.051 211 I HN 0.234 nan 8.210 nan 0.000 0.409 212 A N 1.356 124.229 122.820 0.089 0.000 1.933 212 A HA -0.183 4.138 4.320 0.003 0.000 0.218 212 A C 2.254 179.947 177.584 0.181 0.000 1.175 212 A CA 1.853 53.982 52.037 0.153 0.000 0.628 212 A CB -0.833 18.227 19.000 0.099 0.000 0.814 212 A HN 0.521 nan 8.150 nan 0.000 0.444 213 L N -1.953 119.340 121.223 0.116 0.000 2.201 213 L HA 0.023 4.365 4.340 0.003 0.000 0.212 213 L C 1.931 178.910 176.870 0.181 0.000 1.105 213 L CA 1.569 56.487 54.840 0.130 0.000 0.775 213 L CB -0.990 41.114 42.059 0.074 0.000 0.913 213 L HN 0.002 nan 8.230 nan 0.000 0.440 214 V N 0.785 120.805 119.914 0.177 0.000 2.548 214 V HA -0.142 3.980 4.120 0.003 0.000 0.249 214 V C 2.412 178.623 176.094 0.195 0.000 1.055 214 V CA 1.576 64.017 62.300 0.236 0.000 1.065 214 V CB -0.912 31.021 31.823 0.184 0.000 0.681 214 V HN 0.510 nan 8.190 nan 0.000 0.462 215 N N 0.895 119.686 118.700 0.152 0.000 2.120 215 N HA -0.108 4.633 4.740 0.003 0.000 0.188 215 N C 1.932 177.487 175.510 0.075 0.000 1.024 215 N CA 1.646 54.762 53.050 0.110 0.000 0.852 215 N CB -0.521 38.017 38.487 0.086 0.000 1.003 215 N HN 0.468 nan 8.380 nan 0.000 0.424 216 A N 0.413 123.298 122.820 0.109 0.000 1.883 216 A HA -0.222 4.100 4.320 0.003 0.000 0.217 216 A C 2.122 179.721 177.584 0.025 0.000 1.186 216 A CA 1.920 54.002 52.037 0.074 0.000 0.624 216 A CB -1.003 18.105 19.000 0.181 0.000 0.822 216 A HN 0.454 nan 8.150 nan 0.000 0.444 217 H N -0.309 118.724 119.070 -0.062 0.000 2.353 217 H HA 0.059 4.616 4.556 0.003 0.000 0.300 217 H C 2.204 177.454 175.328 -0.129 0.000 1.090 217 H CA 1.908 57.835 56.048 -0.202 0.000 1.327 217 H CB -0.210 29.269 29.762 -0.473 0.000 1.383 217 H HN 0.405 nan 8.280 nan 0.000 0.508 218 A N -0.443 122.408 122.820 0.053 0.000 1.902 218 A HA -0.167 4.154 4.320 0.003 0.000 0.217 218 A C 2.688 180.271 177.584 -0.002 0.000 1.181 218 A CA 1.416 53.491 52.037 0.064 0.000 0.623 218 A CB -1.182 17.883 19.000 0.109 0.000 0.818 218 A HN 0.641 nan 8.150 nan 0.000 0.443 219 C N -1.257 118.054 119.300 0.018 0.000 2.422 219 C HA -0.036 4.426 4.460 0.003 0.000 0.279 219 C C 2.793 177.773 174.990 -0.016 0.000 1.305 219 C CA 1.167 60.237 59.018 0.087 0.000 1.757 219 C CB -1.301 26.511 27.740 0.119 0.000 1.962 219 C HN 0.731 nan 8.230 nan 0.000 0.499 220 R N -0.202 120.190 120.500 -0.181 0.000 2.081 220 R HA -0.126 4.216 4.340 0.003 0.000 0.235 220 R C 2.230 178.334 176.300 -0.328 0.000 1.131 220 R CA 1.511 57.422 56.100 -0.314 0.000 0.960 220 R CB -0.404 29.611 30.300 -0.475 0.000 0.856 220 R HN 0.605 nan 8.270 nan 0.000 0.436 221 H N 0.531 119.471 119.070 -0.216 0.000 2.326 221 H HA -0.072 4.485 4.556 0.003 0.000 0.301 221 H C 2.168 177.484 175.328 -0.021 0.000 1.081 221 H CA 1.596 57.560 56.048 -0.139 0.000 1.334 221 H CB -0.178 29.506 29.762 -0.130 0.000 1.385 221 H HN 0.236 nan 8.280 nan 0.000 0.504 222 L N -0.184 121.019 121.223 -0.033 0.000 2.131 222 L HA -0.080 4.262 4.340 0.003 0.000 0.210 222 L C 2.712 179.438 176.870 -0.239 0.000 1.092 222 L CA 1.021 55.660 54.840 -0.334 0.000 0.759 222 L CB -0.723 40.746 42.059 -0.983 0.000 0.903 222 L HN 0.294 nan 8.230 nan 0.000 0.435 223 G N -0.130 108.664 108.800 -0.011 0.000 2.408 223 G HA2 -0.238 3.724 3.960 0.003 0.000 0.217 223 G HA3 -0.238 3.724 3.960 0.003 0.000 0.217 223 G C 1.395 176.388 174.900 0.155 0.000 1.150 223 G CA 0.433 45.702 45.100 0.281 0.000 0.776 223 G HN 0.309 nan 8.290 nan 0.000 0.542 224 N N 0.140 118.822 118.700 -0.030 0.000 2.188 224 N HA -0.086 4.655 4.740 0.003 0.000 0.184 224 N C 1.832 177.265 175.510 -0.129 0.000 1.018 224 N CA 0.839 53.815 53.050 -0.124 0.000 0.858 224 N CB -0.336 38.013 38.487 -0.230 0.000 0.989 224 N HN 0.582 nan 8.380 nan 0.000 0.426 225 W N 1.605 122.862 121.300 -0.072 0.000 2.381 225 W HA 0.056 4.718 4.660 0.003 0.000 0.301 225 W C 2.508 179.006 176.519 -0.035 0.000 1.205 225 W CA 1.146 58.445 57.345 -0.077 0.000 1.285 225 W CB -0.432 28.936 29.460 -0.153 0.000 1.133 225 W HN 0.025 nan 8.180 nan 0.000 0.521 226 A N -0.124 122.829 122.820 0.220 0.000 1.908 226 A HA -0.190 4.131 4.320 0.003 0.000 0.218 226 A C 1.991 179.667 177.584 0.153 0.000 1.181 226 A CA 2.206 54.382 52.037 0.231 0.000 0.627 226 A CB -1.105 18.125 19.000 0.383 0.000 0.818 226 A HN 0.109 nan 8.150 nan 0.000 0.445 227 V N -0.404 119.587 119.914 0.127 0.000 2.323 227 V HA -0.189 3.933 4.120 0.003 0.000 0.244 227 V C 3.066 179.152 176.094 -0.014 0.000 1.041 227 V CA 1.857 64.175 62.300 0.029 0.000 1.025 227 V CB -1.176 30.673 31.823 0.042 0.000 0.656 227 V HN 0.612 nan 8.190 nan 0.000 0.451 228 A N -0.286 122.521 122.820 -0.021 0.000 1.933 228 A HA -0.149 4.173 4.320 0.003 0.000 0.218 228 A C 2.174 179.788 177.584 0.051 0.000 1.175 228 A CA 1.756 53.772 52.037 -0.036 0.000 0.628 228 A CB -0.508 18.393 19.000 -0.166 0.000 0.814 228 A HN 0.520 nan 8.150 nan 0.000 0.444 229 L N -1.177 120.114 121.223 0.114 0.000 2.179 229 L HA -0.084 4.258 4.340 0.003 0.000 0.208 229 L C 2.613 179.549 176.870 0.110 0.000 1.096 229 L CA 1.420 56.340 54.840 0.133 0.000 0.779 229 L CB -0.796 41.361 42.059 0.163 0.000 0.922 229 L HN 0.304 nan 8.230 nan 0.000 0.443 230 T N 0.153 114.763 114.554 0.094 0.000 2.821 230 T HA -0.107 4.245 4.350 0.003 0.000 0.267 230 T C 2.060 176.873 174.700 0.188 0.000 1.046 230 T CA 1.278 63.444 62.100 0.110 0.000 1.139 230 T CB -0.075 68.805 68.868 0.019 0.000 0.871 230 T HN 0.423 nan 8.240 nan 0.000 0.454 231 A N 1.307 124.203 122.820 0.127 0.000 1.877 231 A HA 0.005 4.326 4.320 0.003 0.000 0.216 231 A C 2.194 179.896 177.584 0.196 0.000 1.186 231 A CA 1.166 53.336 52.037 0.223 0.000 0.620 231 A CB -0.813 18.253 19.000 0.110 0.000 0.822 231 A HN 0.393 nan 8.150 nan 0.000 0.443 232 L N -0.749 120.549 121.223 0.125 0.000 2.141 232 L HA -0.076 4.265 4.340 0.003 0.000 0.209 232 L C 2.190 179.117 176.870 0.094 0.000 1.094 232 L CA 1.682 56.580 54.840 0.097 0.000 0.763 232 L CB -0.671 41.437 42.059 0.081 0.000 0.908 232 L HN 0.383 nan 8.230 nan 0.000 0.437 233 L N -0.182 121.108 121.223 0.112 0.000 2.046 233 L HA -0.103 4.239 4.340 0.003 0.000 0.208 233 L C 2.488 179.415 176.870 0.095 0.000 1.077 233 L CA 2.073 56.970 54.840 0.095 0.000 0.747 233 L CB -1.054 41.072 42.059 0.112 0.000 0.896 233 L HN 0.251 nan 8.230 nan 0.000 0.432 234 A N -0.833 122.076 122.820 0.147 0.000 1.933 234 A HA -0.207 4.115 4.320 0.003 0.000 0.218 234 A C 2.127 179.730 177.584 0.032 0.000 1.175 234 A CA 1.782 53.869 52.037 0.082 0.000 0.628 234 A CB -0.593 18.471 19.000 0.107 0.000 0.814 234 A HN 0.645 nan 8.150 nan 0.000 0.444 235 E N -1.089 119.145 120.200 0.057 0.000 2.274 235 E HA -0.111 4.241 4.350 0.003 0.000 0.194 235 E C 1.668 178.281 176.600 0.022 0.000 0.996 235 E CA 0.951 57.371 56.400 0.033 0.000 0.840 235 E CB -0.229 29.497 29.700 0.045 0.000 0.772 235 E HN 0.691 nan 8.360 nan 0.000 0.491 236 C N 0.067 119.383 119.300 0.026 0.000 2.590 236 C HA 0.158 4.620 4.460 0.003 0.000 0.272 236 C C 1.818 176.812 174.990 0.007 0.000 1.338 236 C CA 0.012 59.039 59.018 0.016 0.000 1.746 236 C CB -0.225 27.525 27.740 0.016 0.000 2.020 236 C HN 0.317 nan 8.230 nan 0.000 0.531 237 L N -0.149 121.079 121.223 0.007 0.000 3.014 237 L HA 0.287 4.628 4.340 0.003 0.000 0.263 237 L C 0.422 177.283 176.870 -0.015 0.000 1.207 237 L CA -0.049 54.790 54.840 -0.002 0.000 1.017 237 L CB -0.280 41.782 42.059 0.005 0.000 1.360 237 L HN 0.229 nan 8.230 nan 0.000 0.560 238 R N 0.791 121.279 120.500 -0.020 0.000 3.333 238 R HA -0.148 4.194 4.340 0.003 0.000 0.256 238 R C 0.696 176.958 176.300 -0.065 0.000 1.010 238 R CA 0.407 56.486 56.100 -0.035 0.000 0.680 238 R CB -1.842 28.444 30.300 -0.023 0.000 1.102 238 R HN 0.508 nan 8.270 nan 0.000 0.440 239 G N 0.639 109.385 108.800 -0.090 0.000 2.554 239 G HA2 0.151 4.112 3.960 0.003 0.000 0.238 239 G HA3 0.151 4.112 3.960 0.003 0.000 0.238 239 G C 0.032 174.780 174.900 -0.254 0.000 1.259 239 G CA -0.513 44.486 45.100 -0.168 0.000 0.843 239 G HN 0.249 nan 8.290 nan 0.000 0.582 240 R N 0.701 121.023 120.500 -0.296 0.000 2.202 240 R HA 0.223 4.565 4.340 0.003 0.000 0.334 240 R C 1.586 177.580 176.300 -0.510 0.000 1.036 240 R CA 0.209 56.131 56.100 -0.297 0.000 0.878 240 R CB 0.847 31.035 30.300 -0.187 0.000 1.067 240 R HN 0.711 nan 8.270 nan 0.000 0.457 241 T N -1.091 113.200 114.554 -0.438 0.000 3.035 241 T HA -0.145 4.207 4.350 0.003 0.000 0.268 241 T C 1.437 175.983 174.700 -0.256 0.000 1.109 241 T CA 0.969 62.792 62.100 -0.462 0.000 1.119 241 T CB -0.042 68.701 68.868 -0.208 0.000 0.900 241 T HN 0.738 nan 8.240 nan 0.000 0.503 242 E N 1.783 121.875 120.200 -0.181 0.000 2.265 242 E HA -0.032 4.320 4.350 0.003 0.000 0.196 242 E C 2.184 178.755 176.600 -0.048 0.000 0.996 242 E CA 0.933 57.286 56.400 -0.078 0.000 0.832 242 E CB -0.557 29.112 29.700 -0.051 0.000 0.756 242 E HN 0.622 nan 8.360 nan 0.000 0.491 243 A N 0.629 123.373 122.820 -0.126 0.000 2.119 243 A HA -0.067 4.255 4.320 0.003 0.000 0.217 243 A C 0.974 178.701 177.584 0.239 0.000 1.153 243 A CA 0.585 52.618 52.037 -0.006 0.000 0.692 243 A CB -0.565 18.399 19.000 -0.061 0.000 0.799 243 A HN 0.486 nan 8.150 nan 0.000 0.458 244 W N -0.335 120.963 121.300 -0.002 0.000 3.239 244 W HA 0.587 5.248 4.660 0.002 0.000 0.348 244 W C 0.866 177.386 176.519 0.002 0.000 1.183 244 W CA -1.064 56.281 57.345 0.001 0.000 1.819 244 W CB -1.243 28.220 29.460 0.005 0.000 1.091 244 W HN 0.335 nan 8.180 nan 0.000 0.629 245 A N 0.915 123.846 122.820 0.185 0.000 2.540 245 A HA 0.395 4.716 4.320 0.003 0.000 0.239 245 A C 1.704 179.342 177.584 0.090 0.000 1.061 245 A CA 0.770 52.872 52.037 0.108 0.000 0.758 245 A CB 0.522 19.559 19.000 0.062 0.000 0.991 245 A HN 0.259 nan 8.150 nan 0.000 0.502 246 A N 2.633 125.495 122.820 0.069 0.000 1.972 246 A HA 0.117 4.439 4.320 0.003 0.000 0.219 246 A C 2.361 179.968 177.584 0.038 0.000 1.169 246 A CA 2.227 54.294 52.037 0.050 0.000 0.635 246 A CB -0.917 18.106 19.000 0.039 0.000 0.810 246 A HN 1.766 nan 8.150 nan 0.000 0.446 247 A N -0.254 122.586 122.820 0.034 0.000 1.940 247 A HA -0.085 4.237 4.320 0.003 0.000 0.219 247 A C 2.145 179.742 177.584 0.023 0.000 1.176 247 A CA 1.534 53.585 52.037 0.023 0.000 0.631 247 A CB -0.534 18.478 19.000 0.020 0.000 0.814 247 A HN 0.496 nan 8.150 nan 0.000 0.446 248 L N -0.705 120.538 121.223 0.033 0.000 2.093 248 L HA -0.138 4.204 4.340 0.003 0.000 0.208 248 L C 2.852 179.739 176.870 0.027 0.000 1.085 248 L CA 1.357 56.216 54.840 0.031 0.000 0.755 248 L CB -0.411 41.676 42.059 0.047 0.000 0.904 248 L HN 0.341 nan 8.230 nan 0.000 0.435 249 S N -0.223 115.498 115.700 0.034 0.000 2.368 249 S HA -0.193 4.279 4.470 0.003 0.000 0.225 249 S C 1.490 176.096 174.600 0.010 0.000 1.030 249 S CA 1.423 59.640 58.200 0.028 0.000 0.999 249 S CB -0.307 62.913 63.200 0.034 0.000 0.844 249 S HN 0.451 nan 8.310 nan 0.000 0.459 250 D N 1.398 121.803 120.400 0.008 0.000 2.218 250 D HA -0.037 4.605 4.640 0.003 0.000 0.204 250 D C 1.721 178.011 176.300 -0.017 0.000 0.976 250 D CA 0.688 54.685 54.000 -0.005 0.000 0.853 250 D CB -0.273 40.527 40.800 0.000 0.000 0.939 250 D HN 0.344 nan 8.370 nan 0.000 0.481 251 L N -0.544 120.672 121.223 -0.011 0.000 2.291 251 L HA 0.013 4.355 4.340 0.003 0.000 0.214 251 L C 1.598 178.446 176.870 -0.036 0.000 1.120 251 L CA 0.533 55.362 54.840 -0.019 0.000 0.799 251 L CB 0.141 42.195 42.059 -0.008 0.000 0.925 251 L HN -0.170 nan 8.230 nan 0.000 0.446 252 R N 0.787 121.263 120.500 -0.040 0.000 2.644 252 R HA 0.189 4.531 4.340 0.003 0.000 0.271 252 R C -2.185 174.047 176.300 -0.113 0.000 1.687 252 R CA -1.396 54.657 56.100 -0.078 0.000 1.655 252 R CB 0.859 31.155 30.300 -0.007 0.000 1.285 252 R HN -0.137 nan 8.270 nan 0.000 0.643 253 P HA -0.094 nan 4.420 nan 0.000 0.297 253 P C -0.670 176.553 177.300 -0.129 0.000 1.544 253 P CA 0.297 63.330 63.100 -0.112 0.000 0.798 253 P CB -0.369 31.277 31.700 -0.091 0.000 1.757 254 H N 0.828 119.898 119.070 0.000 0.000 2.767 254 H HA 0.089 4.647 4.556 0.003 0.000 0.316 254 H C -1.299 174.041 175.328 0.019 0.000 1.059 254 H CA -1.493 54.558 56.048 0.005 0.000 1.461 254 H CB 0.532 30.291 29.762 -0.004 0.000 1.475 254 H HN 0.086 nan 8.280 nan 0.000 0.531 255 P HA -0.164 nan 4.420 nan 0.000 0.215 255 P C 1.636 179.011 177.300 0.125 0.000 1.157 255 P CA 1.725 64.887 63.100 0.104 0.000 0.874 255 P CB 0.114 31.869 31.700 0.093 0.000 0.790 256 G N -0.499 108.393 108.800 0.155 0.000 2.422 256 G HA2 -0.298 3.664 3.960 0.003 0.000 0.218 256 G HA3 -0.298 3.664 3.960 0.003 0.000 0.218 256 G C 1.679 176.677 174.900 0.163 0.000 1.146 256 G CA 0.692 45.916 45.100 0.206 0.000 0.769 256 G HN 0.320 nan 8.290 nan 0.000 0.547 257 Q N 0.115 119.976 119.800 0.102 0.000 2.079 257 Q HA -0.075 4.267 4.340 0.003 0.000 0.200 257 Q C 2.470 178.502 176.000 0.054 0.000 0.974 257 Q CA 1.568 57.401 55.803 0.050 0.000 0.840 257 Q CB -0.191 28.592 28.738 0.075 0.000 0.898 257 Q HN 0.517 nan 8.270 nan 0.000 0.430 258 K N 0.202 120.644 120.400 0.070 0.000 2.057 258 K HA -0.233 4.089 4.320 0.003 0.000 0.207 258 K C 1.669 178.299 176.600 0.050 0.000 1.049 258 K CA 1.908 58.225 56.287 0.051 0.000 0.931 258 K CB -0.187 32.339 32.500 0.044 0.000 0.714 258 K HN 0.198 nan 8.250 nan 0.000 0.440 259 D N -0.127 120.319 120.400 0.077 0.000 2.097 259 D HA -0.121 4.521 4.640 0.003 0.000 0.195 259 D C 1.722 178.079 176.300 0.096 0.000 0.989 259 D CA 1.564 55.610 54.000 0.076 0.000 0.827 259 D CB -0.070 40.785 40.800 0.091 0.000 0.966 259 D HN 0.336 nan 8.370 nan 0.000 0.456 260 A N 0.607 123.522 122.820 0.158 0.000 1.883 260 A HA -0.009 4.313 4.320 0.003 0.000 0.217 260 A C 2.421 179.964 177.584 -0.069 0.000 1.186 260 A CA 2.459 54.566 52.037 0.116 0.000 0.624 260 A CB -1.270 17.714 19.000 -0.026 0.000 0.822 260 A HN 0.339 nan 8.150 nan 0.000 0.444 261 A N -0.209 122.564 122.820 -0.078 0.000 1.908 261 A HA 0.118 4.440 4.320 0.003 0.000 0.218 261 A C 2.528 180.086 177.584 -0.044 0.000 1.181 261 A CA 2.326 54.302 52.037 -0.102 0.000 0.627 261 A CB -1.089 17.909 19.000 -0.003 0.000 0.818 261 A HN 1.121 nan 8.150 nan 0.000 0.445 262 A N -0.248 122.569 122.820 -0.005 0.000 1.902 262 A HA -0.175 4.147 4.320 0.003 0.000 0.217 262 A C 2.235 179.814 177.584 -0.010 0.000 1.181 262 A CA 1.670 53.712 52.037 0.008 0.000 0.623 262 A CB -0.451 18.555 19.000 0.011 0.000 0.818 262 A HN 0.551 nan 8.150 nan 0.000 0.443 263 R N -0.662 119.821 120.500 -0.029 0.000 2.115 263 R HA 0.042 4.383 4.340 0.003 0.000 0.230 263 R C 2.013 178.268 176.300 -0.075 0.000 1.111 263 R CA 1.172 57.245 56.100 -0.044 0.000 0.976 263 R CB -0.418 29.861 30.300 -0.035 0.000 0.870 263 R HN 0.504 nan 8.270 nan 0.000 0.445 264 L N 0.137 121.265 121.223 -0.158 0.000 2.027 264 L HA -0.150 4.192 4.340 0.003 0.000 0.206 264 L C 2.531 179.401 176.870 0.001 0.000 1.074 264 L CA 1.377 56.045 54.840 -0.288 0.000 0.745 264 L CB -0.302 41.220 42.059 -0.895 0.000 0.898 264 L HN 0.147 nan 8.230 nan 0.000 0.433 265 R N -0.149 120.404 120.500 0.088 0.000 2.091 265 R HA -0.162 4.179 4.340 0.003 0.000 0.238 265 R C 2.381 178.741 176.300 0.101 0.000 1.136 265 R CA 1.407 57.612 56.100 0.175 0.000 0.959 265 R CB -0.557 29.824 30.300 0.135 0.000 0.856 265 R HN 0.358 nan 8.270 nan 0.000 0.437 266 A N 1.355 124.202 122.820 0.046 0.000 1.902 266 A HA -0.152 4.169 4.320 0.003 0.000 0.217 266 A C 2.064 179.663 177.584 0.024 0.000 1.181 266 A CA 1.122 53.174 52.037 0.024 0.000 0.623 266 A CB -0.282 18.717 19.000 -0.002 0.000 0.818 266 A HN 0.110 nan 8.150 nan 0.000 0.443 267 R N -0.235 120.278 120.500 0.022 0.000 2.096 267 R HA -0.112 4.230 4.340 0.003 0.000 0.235 267 R C 1.877 178.213 176.300 0.060 0.000 1.127 267 R CA 1.731 57.845 56.100 0.022 0.000 0.968 267 R CB -1.309 28.996 30.300 0.008 0.000 0.861 267 R HN 0.683 nan 8.270 nan 0.000 0.440 268 V N -0.760 119.220 119.914 0.111 0.000 3.514 268 V HA 0.124 4.245 4.120 0.003 0.000 0.301 268 V C 0.129 176.265 176.094 0.069 0.000 1.346 268 V CA -0.629 61.738 62.300 0.112 0.000 1.156 268 V CB -0.492 31.440 31.823 0.181 0.000 1.029 268 V HN -0.090 nan 8.190 nan 0.000 0.428 269 D N 1.429 121.861 120.400 0.054 0.000 2.458 269 D HA 0.425 5.066 4.640 0.003 0.000 0.243 269 D C 1.455 177.768 176.300 0.021 0.000 1.146 269 D CA 1.827 55.847 54.000 0.034 0.000 0.877 269 D CB 0.638 41.453 40.800 0.026 0.000 1.176 269 D HN 0.581 nan 8.370 nan 0.000 0.461 270 G N 2.409 111.217 108.800 0.013 0.000 2.176 270 G HA2 -0.265 3.697 3.960 0.003 0.000 0.253 270 G HA3 -0.265 3.697 3.960 0.003 0.000 0.253 270 G C 0.439 175.343 174.900 0.006 0.000 0.979 270 G CA 0.378 45.482 45.100 0.007 0.000 0.641 270 G HN 0.785 nan 8.290 nan 0.000 0.530 271 S N -0.006 115.700 115.700 0.009 0.000 2.565 271 S HA 0.683 5.154 4.470 0.003 0.000 0.274 271 S C 1.205 175.800 174.600 -0.009 0.000 1.309 271 S CA 0.775 58.979 58.200 0.006 0.000 1.043 271 S CB 1.351 64.561 63.200 0.017 0.000 0.939 271 S HN 1.590 nan 8.310 nan 0.000 0.504 272 A N 5.159 127.974 122.820 -0.008 0.000 2.470 272 A HA 0.338 4.659 4.320 0.003 0.000 0.251 272 A C 1.666 179.240 177.584 -0.017 0.000 1.245 272 A CA -0.337 51.691 52.037 -0.016 0.000 0.932 272 A CB 0.085 19.080 19.000 -0.008 0.000 1.037 272 A HN 0.723 nan 8.150 nan 0.000 0.522 273 R N -0.101 120.391 120.500 -0.013 0.000 2.290 273 R HA 0.116 4.458 4.340 0.003 0.000 0.197 273 R C 0.652 176.936 176.300 -0.026 0.000 0.913 273 R CA 0.806 56.899 56.100 -0.012 0.000 1.040 273 R CB -0.250 30.050 30.300 0.001 0.000 0.992 273 R HN 0.495 nan 8.270 nan 0.000 0.500 274 V N -1.727 118.161 119.914 -0.043 0.000 2.966 274 V HA 0.495 4.617 4.120 0.003 0.000 0.317 274 V C 0.416 176.451 176.094 -0.098 0.000 1.070 274 V CA -0.978 61.276 62.300 -0.078 0.000 1.008 274 V CB 2.135 33.899 31.823 -0.098 0.000 1.070 274 V HN -0.263 nan 8.190 nan 0.000 0.457 275 V N 3.724 123.568 119.914 -0.118 0.000 2.364 275 V HA 0.450 4.572 4.120 0.003 0.000 0.272 275 V C 1.041 177.036 176.094 -0.166 0.000 1.036 275 V CA -0.217 62.016 62.300 -0.112 0.000 0.880 275 V CB 0.581 32.373 31.823 -0.051 0.000 0.991 275 V HN 0.935 nan 8.190 nan 0.000 0.460 276 R N 1.497 121.844 120.500 -0.255 0.000 2.334 276 R HA 0.198 4.539 4.340 0.003 0.000 0.212 276 R C 0.004 176.183 176.300 -0.201 0.000 0.897 276 R CA -0.160 55.802 56.100 -0.230 0.000 1.056 276 R CB 0.201 30.367 30.300 -0.223 0.000 1.046 276 R HN 0.756 nan 8.270 nan 0.000 0.513 277 H N 0.085 119.130 119.070 -0.043 0.000 2.848 277 H HA 0.060 4.618 4.556 0.003 0.000 0.341 277 H C -0.230 175.076 175.328 -0.037 0.000 1.060 277 H CA -0.227 55.801 56.048 -0.033 0.000 1.444 277 H CB 0.976 30.721 29.762 -0.029 0.000 1.446 277 H HN -0.191 nan 8.280 nan 0.000 0.583 278 V N 5.987 125.960 119.914 0.097 0.000 2.408 278 V HA -0.043 4.078 4.120 0.003 0.000 0.267 278 V C 1.769 177.888 176.094 0.041 0.000 1.047 278 V CA 0.008 62.333 62.300 0.042 0.000 0.937 278 V CB 0.057 31.896 31.823 0.027 0.000 0.999 278 V HN 0.784 nan 8.190 nan 0.000 0.472 279 I N 3.306 123.890 120.570 0.023 0.000 2.264 279 I HA -0.148 4.024 4.170 0.003 0.000 0.248 279 I C 2.100 178.218 176.117 0.002 0.000 1.111 279 I CA 1.990 63.295 61.300 0.009 0.000 1.382 279 I CB -0.292 37.709 38.000 0.002 0.000 1.060 279 I HN 0.561 nan 8.210 nan 0.000 0.418 280 A N 1.011 123.834 122.820 0.004 0.000 2.225 280 A HA -0.107 4.214 4.320 0.003 0.000 0.215 280 A C 2.114 179.699 177.584 0.001 0.000 1.164 280 A CA 1.161 53.199 52.037 0.002 0.000 0.710 280 A CB -0.557 18.445 19.000 0.003 0.000 0.780 280 A HN 0.552 nan 8.150 nan 0.000 0.473 281 E N -0.051 120.151 120.200 0.004 0.000 2.208 281 E HA -0.099 4.253 4.350 0.003 0.000 0.193 281 E C 1.120 177.714 176.600 -0.010 0.000 0.988 281 E CA 0.190 56.591 56.400 0.002 0.000 0.828 281 E CB -0.170 29.538 29.700 0.013 0.000 0.763 281 E HN 0.633 nan 8.360 nan 0.000 0.478 282 R N 1.650 122.139 120.500 -0.018 0.000 2.347 282 R HA 0.120 4.462 4.340 0.003 0.000 0.304 282 R C -0.445 175.843 176.300 -0.019 0.000 1.072 282 R CA -0.089 55.995 56.100 -0.028 0.000 0.980 282 R CB 0.437 30.714 30.300 -0.037 0.000 0.986 282 R HN -0.151 nan 8.270 nan 0.000 0.448 283 R N 4.815 125.303 120.500 -0.019 0.000 2.255 283 R HA 0.300 4.642 4.340 0.003 0.000 0.326 283 R C -0.483 175.808 176.300 -0.016 0.000 0.986 283 R CA -0.536 55.555 56.100 -0.015 0.000 0.847 283 R CB 1.208 31.500 30.300 -0.012 0.000 1.111 283 R HN 0.458 nan 8.270 nan 0.000 0.452 284 L N 2.552 123.767 121.223 -0.013 0.000 2.375 284 L HA 0.336 4.678 4.340 0.003 0.000 0.271 284 L C 0.175 177.038 176.870 -0.011 0.000 1.107 284 L CA -0.393 54.439 54.840 -0.013 0.000 0.806 284 L CB 0.818 42.870 42.059 -0.011 0.000 1.146 284 L HN 0.484 nan 8.230 nan 0.000 0.447 285 D N 0.436 120.829 120.400 -0.011 0.000 2.340 285 D HA 0.309 4.951 4.640 0.003 0.000 0.243 285 D C 0.583 176.878 176.300 -0.009 0.000 0.988 285 D CA -0.422 53.572 54.000 -0.010 0.000 0.959 285 D CB 2.098 42.892 40.800 -0.010 0.000 1.226 285 D HN 0.559 nan 8.370 nan 0.000 0.509 286 A N 0.844 123.660 122.820 -0.007 0.000 1.940 286 A HA -0.104 4.217 4.320 0.003 0.000 0.219 286 A C 1.929 179.509 177.584 -0.007 0.000 1.176 286 A CA 2.160 54.193 52.037 -0.006 0.000 0.631 286 A CB -0.964 18.032 19.000 -0.005 0.000 0.814 286 A HN 0.644 nan 8.150 nan 0.000 0.446 287 G N -0.566 108.230 108.800 -0.008 0.000 2.471 287 G HA2 -0.151 3.811 3.960 0.003 0.000 0.219 287 G HA3 -0.151 3.811 3.960 0.003 0.000 0.219 287 G C 0.933 175.827 174.900 -0.009 0.000 1.125 287 G CA 1.045 46.140 45.100 -0.008 0.000 0.775 287 G HN 0.526 nan 8.290 nan 0.000 0.548 288 D N 0.436 120.830 120.400 -0.010 0.000 2.323 288 D HA 0.002 4.644 4.640 0.003 0.000 0.209 288 D C 1.067 177.362 176.300 -0.010 0.000 0.973 288 D CA -0.002 53.991 54.000 -0.011 0.000 0.874 288 D CB 0.336 41.128 40.800 -0.013 0.000 0.930 288 D HN 0.148 nan 8.370 nan 0.000 0.521 289 I N 1.575 122.140 120.570 -0.008 0.000 2.664 289 I HA 0.261 4.433 4.170 0.003 0.000 0.284 289 I C 1.396 177.509 176.117 -0.006 0.000 1.154 289 I CA 0.873 62.169 61.300 -0.007 0.000 1.402 289 I CB -0.201 37.795 38.000 -0.006 0.000 1.395 289 I HN 0.013 nan 8.210 nan 0.000 0.545 290 G N 5.528 114.325 108.800 -0.006 0.000 2.351 290 G HA2 0.103 4.065 3.960 0.003 0.000 0.279 290 G HA3 0.103 4.065 3.960 0.003 0.000 0.279 290 G C -1.072 173.824 174.900 -0.006 0.000 1.297 290 G CA -0.733 44.364 45.100 -0.006 0.000 0.886 290 G HN 0.384 nan 8.290 nan 0.000 0.493 291 T N 2.061 116.611 114.554 -0.006 0.000 2.733 291 T HA 0.541 4.893 4.350 0.003 0.000 0.294 291 T C -0.030 174.665 174.700 -0.007 0.000 0.956 291 T CA -0.152 61.944 62.100 -0.006 0.000 0.987 291 T CB 1.185 70.049 68.868 -0.006 0.000 0.920 291 T HN 0.443 nan 8.240 nan 0.000 0.470 292 E N 3.256 123.452 120.200 -0.008 0.000 2.283 292 E HA 0.196 4.547 4.350 0.003 0.000 0.267 292 E C -1.281 175.314 176.600 -0.009 0.000 1.045 292 E CA -2.023 54.371 56.400 -0.009 0.000 0.884 292 E CB 0.643 30.337 29.700 -0.010 0.000 1.106 292 E HN 0.322 nan 8.360 nan 0.000 0.408 293 P HA -0.155 nan 4.420 nan 0.000 0.215 293 P C -0.525 176.770 177.300 -0.009 0.000 1.157 293 P CA 1.472 64.567 63.100 -0.008 0.000 0.874 293 P CB 0.295 31.989 31.700 -0.008 0.000 0.790 294 E N -1.605 118.589 120.200 -0.009 0.000 2.369 294 E HA 0.608 4.959 4.350 0.003 0.000 0.270 294 E C -0.939 175.657 176.600 -0.007 0.000 0.909 294 E CA -1.174 55.221 56.400 -0.008 0.000 0.775 294 E CB 2.051 31.746 29.700 -0.009 0.000 1.270 294 E HN -0.094 nan 8.360 nan 0.000 0.445 295 A N 0.481 123.298 122.820 -0.005 0.000 2.313 295 A HA 0.458 4.780 4.320 0.003 0.000 0.261 295 A C 1.129 178.712 177.584 -0.002 0.000 1.090 295 A CA 0.281 52.316 52.037 -0.002 0.000 0.807 295 A CB 0.148 19.149 19.000 0.002 0.000 1.055 295 A HN 0.774 nan 8.150 nan 0.000 0.492 296 G N -0.774 108.026 108.800 -0.000 0.000 2.848 296 G HA2 0.287 4.249 3.960 0.003 0.000 0.208 296 G HA3 0.287 4.249 3.960 0.003 0.000 0.208 296 G C 0.433 175.332 174.900 -0.003 0.000 1.152 296 G CA 0.330 45.428 45.100 -0.002 0.000 0.789 296 G HN 0.705 nan 8.290 nan 0.000 0.531 297 Q N 0.161 119.964 119.800 0.005 0.000 2.423 297 Q HA 0.323 4.664 4.340 0.003 0.000 0.278 297 Q C -1.515 174.496 176.000 0.020 0.000 1.097 297 Q CA -1.032 54.778 55.803 0.011 0.000 0.809 297 Q CB 2.112 30.872 28.738 0.036 0.000 1.391 297 Q HN 0.028 nan 8.270 nan 0.000 0.428 298 D N 0.690 121.101 120.400 0.018 0.000 2.383 298 D HA 0.404 5.046 4.640 0.003 0.000 0.248 298 D C -0.166 176.191 176.300 0.096 0.000 1.170 298 D CA -0.198 53.821 54.000 0.032 0.000 0.977 298 D CB 0.850 41.653 40.800 0.005 0.000 1.120 298 D HN 0.624 nan 8.370 nan 0.000 0.481 299 A N 0.366 123.237 122.820 0.086 0.000 2.386 299 A HA 0.013 4.334 4.320 0.003 0.000 0.246 299 A C 0.602 178.341 177.584 0.259 0.000 1.089 299 A CA -0.083 52.021 52.037 0.111 0.000 0.790 299 A CB -0.104 18.916 19.000 0.033 0.000 1.042 299 A HN 0.540 nan 8.150 nan 0.000 0.497 300 Y N 0.948 121.265 120.300 0.028 0.000 2.256 300 Y HA -0.213 4.340 4.550 0.005 0.000 0.288 300 Y C 2.937 178.871 175.900 0.055 0.000 1.155 300 Y CA 1.633 59.756 58.100 0.038 0.000 1.203 300 Y CB -1.326 37.148 38.460 0.022 0.000 0.980 300 Y HN 0.747 nan 8.280 nan 0.000 0.530 301 S N -1.040 114.786 115.700 0.211 0.000 2.493 301 S HA -0.121 4.351 4.470 0.003 0.000 0.243 301 S C 1.783 176.486 174.600 0.172 0.000 0.991 301 S CA 1.216 59.505 58.200 0.150 0.000 0.957 301 S CB -0.562 62.702 63.200 0.105 0.000 0.756 301 S HN 0.472 nan 8.310 nan 0.000 0.521 302 L N -0.380 120.964 121.223 0.202 0.000 2.588 302 L HA 0.360 4.702 4.340 0.003 0.000 0.194 302 L C 2.728 179.813 176.870 0.359 0.000 1.070 302 L CA 0.227 55.237 54.840 0.283 0.000 0.852 302 L CB -0.228 41.936 42.059 0.175 0.000 1.199 302 L HN 0.163 nan 8.230 nan 0.000 0.486 303 R N 0.002 120.631 120.500 0.215 0.000 2.096 303 R HA -0.139 4.203 4.340 0.003 0.000 0.235 303 R C 1.509 177.905 176.300 0.160 0.000 1.127 303 R CA 1.797 57.998 56.100 0.168 0.000 0.968 303 R CB -0.191 30.165 30.300 0.092 0.000 0.861 303 R HN 0.394 nan 8.270 nan 0.000 0.440 304 C N 0.274 119.625 119.300 0.084 0.000 2.688 304 C HA 0.441 4.903 4.460 0.003 0.000 0.297 304 C C 2.115 177.108 174.990 0.006 0.000 1.308 304 C CA -0.384 58.622 59.018 -0.019 0.000 1.726 304 C CB -0.375 27.258 27.740 -0.177 0.000 1.982 304 C HN 0.621 nan 8.230 nan 0.000 0.604 305 A N 2.656 125.521 122.820 0.075 0.000 1.908 305 A HA -0.101 4.220 4.320 0.003 0.000 0.218 305 A C 0.009 177.497 177.584 -0.160 0.000 1.181 305 A CA 1.799 53.813 52.037 -0.039 0.000 0.627 305 A CB -1.527 17.448 19.000 -0.041 0.000 0.818 305 A HN 0.417 nan 8.150 nan 0.000 0.445 306 P HA -0.149 nan 4.420 nan 0.000 0.215 306 P C 1.273 178.489 177.300 -0.141 0.000 1.153 306 P CA 1.482 64.476 63.100 -0.176 0.000 0.853 306 P CB -0.052 31.590 31.700 -0.096 0.000 0.788 307 Q N -0.931 118.810 119.800 -0.098 0.000 2.079 307 Q HA -0.082 4.260 4.340 0.003 0.000 0.200 307 Q C 2.124 178.034 176.000 -0.149 0.000 0.974 307 Q CA 1.267 57.009 55.803 -0.102 0.000 0.840 307 Q CB -1.372 27.316 28.738 -0.083 0.000 0.898 307 Q HN 0.099 nan 8.270 nan 0.000 0.430 308 V N 0.215 120.038 119.914 -0.152 0.000 2.283 308 V HA -0.181 3.941 4.120 0.003 0.000 0.243 308 V C 2.068 178.003 176.094 -0.265 0.000 1.039 308 V CA 1.363 63.562 62.300 -0.168 0.000 1.016 308 V CB -0.548 31.205 31.823 -0.116 0.000 0.650 308 V HN 0.299 nan 8.190 nan 0.000 0.449 309 L N 0.587 121.604 121.223 -0.344 0.000 2.083 309 L HA -0.082 4.260 4.340 0.003 0.000 0.209 309 L C 2.652 178.978 176.870 -0.908 0.000 1.083 309 L CA 1.719 56.167 54.840 -0.653 0.000 0.752 309 L CB -1.169 40.491 42.059 -0.664 0.000 0.899 309 L HN 0.480 nan 8.230 nan 0.000 0.433 310 G N -0.318 108.174 108.800 -0.513 0.000 2.418 310 G HA2 -0.256 3.706 3.960 0.003 0.000 0.217 310 G HA3 -0.256 3.706 3.960 0.003 0.000 0.217 310 G C 1.781 176.569 174.900 -0.186 0.000 1.158 310 G CA 0.821 45.751 45.100 -0.283 0.000 0.771 310 G HN 0.466 nan 8.290 nan 0.000 0.545 311 A N 0.825 123.516 122.820 -0.215 0.000 1.933 311 A HA 0.160 4.482 4.320 0.003 0.000 0.218 311 A C 2.694 180.210 177.584 -0.115 0.000 1.175 311 A CA 2.083 54.013 52.037 -0.177 0.000 0.628 311 A CB -0.999 17.889 19.000 -0.186 0.000 0.814 311 A HN 0.521 nan 8.150 nan 0.000 0.444 312 G N -1.148 107.549 108.800 -0.171 0.000 2.402 312 G HA2 -0.112 3.849 3.960 0.003 0.000 0.216 312 G HA3 -0.112 3.849 3.960 0.003 0.000 0.216 312 G C 1.283 176.260 174.900 0.128 0.000 1.162 312 G CA 1.028 46.076 45.100 -0.087 0.000 0.777 312 G HN 0.380 nan 8.290 nan 0.000 0.539 313 F N 1.702 121.653 119.950 0.003 0.000 2.186 313 F HA 0.044 4.573 4.527 0.004 0.000 0.299 313 F C 2.285 178.108 175.800 0.039 0.000 1.090 313 F CA 0.370 58.385 58.000 0.023 0.000 1.307 313 F CB -0.596 38.412 39.000 0.013 0.000 1.019 313 F HN 0.118 nan 8.300 nan 0.000 0.489 314 D N -0.626 119.898 120.400 0.206 0.000 2.224 314 D HA -0.094 4.548 4.640 0.003 0.000 0.205 314 D C 2.194 178.601 176.300 0.178 0.000 0.965 314 D CA 1.334 55.424 54.000 0.150 0.000 0.852 314 D CB -0.336 40.503 40.800 0.064 0.000 0.947 314 D HN 0.203 nan 8.370 nan 0.000 0.494 315 T N 1.189 115.840 114.554 0.162 0.000 2.812 315 T HA -0.107 4.245 4.350 0.003 0.000 0.264 315 T C 1.908 176.776 174.700 0.280 0.000 1.042 315 T CA 0.357 62.593 62.100 0.227 0.000 1.140 315 T CB -0.213 68.740 68.868 0.143 0.000 0.870 315 T HN 0.042 nan 8.240 nan 0.000 0.445 316 L N 1.573 122.917 121.223 0.203 0.000 2.083 316 L HA 0.105 4.446 4.340 0.003 0.000 0.209 316 L C 2.533 179.519 176.870 0.193 0.000 1.083 316 L CA 1.690 56.624 54.840 0.156 0.000 0.752 316 L CB -0.984 41.150 42.059 0.124 0.000 0.899 316 L HN 0.216 nan 8.230 nan 0.000 0.433 317 A N -1.290 121.648 122.820 0.197 0.000 1.933 317 A HA -0.257 4.065 4.320 0.003 0.000 0.218 317 A C 2.107 179.831 177.584 0.232 0.000 1.175 317 A CA 1.580 53.722 52.037 0.175 0.000 0.628 317 A CB -1.358 17.735 19.000 0.156 0.000 0.814 317 A HN 0.736 nan 8.150 nan 0.000 0.444 318 W N 0.397 121.757 121.300 0.099 0.000 2.379 318 W HA -0.176 4.485 4.660 0.002 0.000 0.307 318 W C 2.247 178.832 176.519 0.111 0.000 1.200 318 W CA 1.890 59.288 57.345 0.089 0.000 1.297 318 W CB -0.754 28.752 29.460 0.076 0.000 1.140 318 W HN 0.622 nan 8.180 nan 0.000 0.507 319 H N 0.212 119.226 119.070 -0.094 0.000 2.319 319 H HA -0.180 4.378 4.556 0.003 0.000 0.297 319 H C 1.370 176.585 175.328 -0.189 0.000 1.097 319 H CA 2.473 58.364 56.048 -0.263 0.000 1.285 319 H CB -0.570 29.149 29.762 -0.071 0.000 1.368 319 H HN 0.062 nan 8.280 nan 0.000 0.495 320 D N 0.153 120.614 120.400 0.102 0.000 2.144 320 D HA -0.070 4.571 4.640 0.003 0.000 0.200 320 D C 2.624 178.899 176.300 -0.043 0.000 0.978 320 D CA 0.615 54.645 54.000 0.050 0.000 0.833 320 D CB -0.192 40.674 40.800 0.110 0.000 0.961 320 D HN 0.388 nan 8.370 nan 0.000 0.470 321 R N 0.248 120.728 120.500 -0.033 0.000 2.073 321 R HA -0.056 4.286 4.340 0.003 0.000 0.234 321 R C 2.328 178.570 176.300 -0.097 0.000 1.134 321 R CA 0.772 56.859 56.100 -0.021 0.000 0.952 321 R CB -0.525 29.807 30.300 0.053 0.000 0.850 321 R HN 0.101 nan 8.270 nan 0.000 0.433 322 V N 1.510 121.286 119.914 -0.230 0.000 2.343 322 V HA -0.228 3.894 4.120 0.003 0.000 0.247 322 V C 2.244 178.191 176.094 -0.244 0.000 1.051 322 V CA 1.475 63.614 62.300 -0.267 0.000 1.036 322 V CB -0.448 31.092 31.823 -0.472 0.000 0.654 322 V HN 0.232 nan 8.190 nan 0.000 0.451 323 L N 0.016 121.058 121.223 -0.303 0.000 2.083 323 L HA -0.140 4.202 4.340 0.003 0.000 0.209 323 L C 2.448 179.234 176.870 -0.140 0.000 1.083 323 L CA 2.368 57.058 54.840 -0.250 0.000 0.752 323 L CB -0.978 40.894 42.059 -0.312 0.000 0.899 323 L HN 0.347 nan 8.230 nan 0.000 0.433 324 T N -0.158 114.339 114.554 -0.095 0.000 2.746 324 T HA -0.167 4.185 4.350 0.003 0.000 0.267 324 T C 1.967 176.648 174.700 -0.032 0.000 1.039 324 T CA 2.007 64.083 62.100 -0.041 0.000 1.142 324 T CB -0.303 68.583 68.868 0.030 0.000 0.866 324 T HN 0.321 nan 8.240 nan 0.000 0.444 325 I N 0.634 121.174 120.570 -0.050 0.000 2.202 325 I HA -0.136 4.036 4.170 0.003 0.000 0.242 325 I C 2.737 178.800 176.117 -0.089 0.000 1.091 325 I CA 1.257 62.524 61.300 -0.056 0.000 1.368 325 I CB -0.287 37.657 38.000 -0.094 0.000 1.058 325 I HN 0.195 nan 8.210 nan 0.000 0.410 326 E N 1.279 121.405 120.200 -0.124 0.000 2.077 326 E HA -0.260 4.092 4.350 0.003 0.000 0.193 326 E C 2.029 178.576 176.600 -0.088 0.000 0.989 326 E CA 1.314 57.642 56.400 -0.119 0.000 0.800 326 E CB -0.280 29.344 29.700 -0.126 0.000 0.746 326 E HN 0.316 nan 8.360 nan 0.000 0.452 327 L N 0.881 122.052 121.223 -0.088 0.000 2.083 327 L HA -0.081 4.261 4.340 0.003 0.000 0.209 327 L C 1.168 177.988 176.870 -0.083 0.000 1.083 327 L CA 1.780 56.570 54.840 -0.083 0.000 0.752 327 L CB -0.355 41.648 42.059 -0.094 0.000 0.899 327 L HN 0.137 nan 8.230 nan 0.000 0.433 328 N N -0.059 118.593 118.700 -0.079 0.000 2.314 328 N HA 0.208 4.950 4.740 0.003 0.000 0.200 328 N C 0.246 175.740 175.510 -0.028 0.000 1.135 328 N CA 0.607 53.624 53.050 -0.055 0.000 0.835 328 N CB 0.284 38.758 38.487 -0.021 0.000 0.989 328 N HN 0.415 nan 8.380 nan 0.000 0.478 329 A N 0.208 123.002 122.820 -0.045 0.000 2.261 329 A HA 0.611 4.933 4.320 0.003 0.000 0.323 329 A C -0.043 177.517 177.584 -0.041 0.000 1.107 329 A CA -0.408 51.602 52.037 -0.046 0.000 0.883 329 A CB 1.074 20.030 19.000 -0.073 0.000 1.251 329 A HN -0.039 nan 8.150 nan 0.000 0.502 330 V N 1.213 121.102 119.914 -0.041 0.000 2.328 330 V HA 0.312 4.433 4.120 0.003 0.000 0.278 330 V C 0.883 176.952 176.094 -0.043 0.000 1.021 330 V CA 0.380 62.660 62.300 -0.033 0.000 0.838 330 V CB 0.685 32.489 31.823 -0.030 0.000 0.999 330 V HN 1.041 nan 8.190 nan 0.000 0.447 331 T N -0.738 113.801 114.554 -0.026 0.000 3.145 331 T HA 0.194 4.546 4.350 0.003 0.000 0.255 331 T C 0.188 174.906 174.700 0.029 0.000 1.039 331 T CA -0.510 61.581 62.100 -0.016 0.000 0.928 331 T CB -0.327 68.543 68.868 0.002 0.000 1.029 331 T HN 0.539 nan 8.240 nan 0.000 0.554 332 D N 2.502 122.909 120.400 0.013 0.000 2.357 332 D HA 0.494 5.135 4.640 0.003 0.000 0.242 332 D C -0.053 176.261 176.300 0.022 0.000 1.153 332 D CA 0.093 54.114 54.000 0.034 0.000 0.918 332 D CB 0.435 41.236 40.800 0.002 0.000 1.181 332 D HN 0.336 nan 8.370 nan 0.000 0.435 333 N N 0.033 118.774 118.700 0.067 0.000 2.537 333 N HA 0.269 5.010 4.740 0.003 0.000 0.281 333 N C -2.943 172.585 175.510 0.030 0.000 1.097 333 N CA -1.306 51.758 53.050 0.024 0.000 0.964 333 N CB 1.790 40.419 38.487 0.237 0.000 1.588 333 N HN 0.022 nan 8.380 nan 0.000 0.511 334 P HA 0.338 nan 4.420 nan 0.000 0.279 334 P C -0.885 176.078 177.300 -0.562 0.000 1.282 334 P CA -0.438 62.384 63.100 -0.463 0.000 0.788 334 P CB 0.946 32.184 31.700 -0.770 0.000 1.139 335 V N -3.840 115.652 119.914 -0.703 0.000 2.962 335 V HA 0.630 4.752 4.120 0.003 0.000 0.313 335 V C -1.043 174.556 176.094 -0.824 0.000 1.099 335 V CA -0.932 60.989 62.300 -0.633 0.000 0.971 335 V CB 1.661 33.318 31.823 -0.277 0.000 1.028 335 V HN 0.224 nan 8.190 nan 0.000 0.430 336 F N 1.955 121.888 119.950 -0.028 0.000 2.359 336 F HA 0.609 5.138 4.527 0.003 0.000 0.369 336 F C -2.411 173.383 175.800 -0.010 0.000 1.084 336 F CA -2.570 55.422 58.000 -0.014 0.000 1.096 336 F CB 1.261 40.259 39.000 -0.003 0.000 1.335 336 F HN 0.291 nan 8.300 nan 0.000 0.457 337 P HA -0.024 nan 4.420 nan 0.000 0.256 337 P C -1.956 175.387 177.300 0.072 0.000 1.173 337 P CA -0.532 62.600 63.100 0.054 0.000 0.768 337 P CB 0.438 32.158 31.700 0.034 0.000 0.758 338 P HA -0.200 nan 4.420 nan 0.000 0.216 338 P C 0.882 178.203 177.300 0.035 0.000 1.150 338 P CA 1.433 64.561 63.100 0.046 0.000 0.837 338 P CB -0.140 31.579 31.700 0.032 0.000 0.786 339 D N -1.614 118.804 120.400 0.029 0.000 2.350 339 D HA -0.008 4.634 4.640 0.003 0.000 0.216 339 D C 1.451 177.768 176.300 0.028 0.000 0.968 339 D CA 1.046 55.060 54.000 0.023 0.000 0.894 339 D CB -1.250 39.560 40.800 0.017 0.000 0.909 339 D HN 0.213 nan 8.370 nan 0.000 0.520 340 G N -0.080 108.743 108.800 0.039 0.000 2.155 340 G HA2 -0.388 3.574 3.960 0.003 0.000 0.257 340 G HA3 -0.388 3.574 3.960 0.003 0.000 0.257 340 G C 1.273 176.196 174.900 0.039 0.000 0.983 340 G CA 1.175 46.301 45.100 0.043 0.000 0.676 340 G HN 0.671 nan 8.290 nan 0.000 0.528 341 S N -1.286 114.434 115.700 0.033 0.000 2.365 341 S HA 0.111 4.583 4.470 0.003 0.000 0.225 341 S C 1.246 175.867 174.600 0.034 0.000 1.039 341 S CA 2.122 60.339 58.200 0.028 0.000 1.033 341 S CB -0.561 62.651 63.200 0.020 0.000 0.887 341 S HN 2.070 nan 8.310 nan 0.000 0.447 342 V N -3.452 116.488 119.914 0.043 0.000 3.007 342 V HA 0.568 4.690 4.120 0.003 0.000 0.311 342 V C -2.473 173.670 176.094 0.082 0.000 1.120 342 V CA -2.204 60.129 62.300 0.054 0.000 0.980 342 V CB 1.309 33.160 31.823 0.046 0.000 1.033 342 V HN -0.098 nan 8.190 nan 0.000 0.429 343 P HA 0.169 nan 4.420 nan 0.000 0.215 343 P C 0.304 177.743 177.300 0.232 0.000 1.153 343 P CA 2.248 65.440 63.100 0.154 0.000 0.853 343 P CB 0.177 31.965 31.700 0.146 0.000 0.788 344 A N -2.010 120.900 122.820 0.150 0.000 2.608 344 A HA 0.639 4.961 4.320 0.003 0.000 0.292 344 A C -1.843 175.714 177.584 -0.046 0.000 1.066 344 A CA -0.555 51.491 52.037 0.016 0.000 0.676 344 A CB 0.505 19.509 19.000 0.007 0.000 1.277 344 A HN -0.054 nan 8.150 nan 0.000 0.413 345 L N 1.242 122.340 121.223 -0.207 0.000 2.346 345 L HA 0.601 4.943 4.340 0.003 0.000 0.276 345 L C -1.034 175.667 176.870 -0.280 0.000 1.006 345 L CA -0.688 54.075 54.840 -0.129 0.000 0.817 345 L CB 2.145 44.136 42.059 -0.113 0.000 1.272 345 L HN 0.839 nan 8.230 nan 0.000 0.421 346 H N 1.157 120.164 119.070 -0.104 0.000 2.505 346 H HA 0.758 5.316 4.556 0.003 0.000 0.338 346 H C 0.162 175.428 175.328 -0.103 0.000 1.057 346 H CA -0.176 55.810 56.048 -0.103 0.000 1.202 346 H CB 1.985 31.692 29.762 -0.092 0.000 1.466 346 H HN 0.748 nan 8.280 nan 0.000 0.499 347 G N 0.642 109.415 108.800 -0.045 0.000 2.772 347 G HA2 0.445 4.407 3.960 0.003 0.000 0.284 347 G HA3 0.445 4.407 3.960 0.003 0.000 0.284 347 G C -0.334 174.410 174.900 -0.260 0.000 1.217 347 G CA -0.306 44.725 45.100 -0.115 0.000 0.831 347 G HN 0.666 nan 8.290 nan 0.000 0.523 348 G N 0.050 108.581 108.800 -0.448 0.000 4.716 348 G HA2 0.306 4.268 3.960 0.003 0.000 0.282 348 G HA3 0.306 4.268 3.960 0.003 0.000 0.282 348 G C 0.227 174.536 174.900 -0.984 0.000 1.173 348 G CA -0.159 44.313 45.100 -1.046 0.000 0.913 348 G HN 0.263 nan 8.290 nan 0.000 0.566 349 N N 0.852 119.175 118.700 -0.628 0.000 2.609 349 N HA -0.040 4.701 4.740 0.003 0.000 0.190 349 N C 1.490 176.846 175.510 -0.256 0.000 1.157 349 N CA 0.299 53.142 53.050 -0.346 0.000 0.918 349 N CB -0.140 38.231 38.487 -0.193 0.000 0.978 349 N HN 0.628 nan 8.380 nan 0.000 0.448 350 F N -1.172 118.756 119.950 -0.036 0.000 2.789 350 F HA 0.327 4.856 4.527 0.003 0.000 0.300 350 F C 0.807 176.601 175.800 -0.010 0.000 1.132 350 F CA -0.796 57.188 58.000 -0.026 0.000 1.404 350 F CB -0.742 38.241 39.000 -0.029 0.000 1.114 350 F HN -0.167 nan 8.300 nan 0.000 0.584 351 M N 2.713 122.299 119.600 -0.022 0.000 2.350 351 M HA 0.355 4.837 4.480 0.003 0.000 0.338 351 M C 1.003 177.350 176.300 0.079 0.000 1.559 351 M CA -0.543 54.813 55.300 0.093 0.000 1.217 351 M CB 0.194 32.770 32.600 -0.041 0.000 1.808 351 M HN 0.234 nan 8.290 nan 0.000 0.458 352 G N 3.433 112.297 108.800 0.106 0.000 3.452 352 G HA2 0.017 3.979 3.960 0.003 0.000 0.258 352 G HA3 0.017 3.979 3.960 0.003 0.000 0.258 352 G C 0.710 175.647 174.900 0.062 0.000 1.305 352 G CA -0.166 44.979 45.100 0.076 0.000 1.514 352 G HN 0.809 nan 8.290 nan 0.000 0.593 353 Q N 0.048 119.884 119.800 0.060 0.000 2.167 353 Q HA -0.094 4.248 4.340 0.003 0.000 0.202 353 Q C 1.956 177.931 176.000 -0.042 0.000 0.970 353 Q CA 1.473 57.279 55.803 0.004 0.000 0.855 353 Q CB -0.134 28.585 28.738 -0.031 0.000 0.911 353 Q HN 0.710 nan 8.270 nan 0.000 0.438 354 H N -1.671 117.375 119.070 -0.040 0.000 2.321 354 H HA -0.067 4.491 4.556 0.003 0.000 0.300 354 H C 1.811 177.057 175.328 -0.138 0.000 1.087 354 H CA 1.761 57.759 56.048 -0.084 0.000 1.319 354 H CB -0.045 29.654 29.762 -0.105 0.000 1.379 354 H HN 0.070 nan 8.280 nan 0.000 0.501 355 V N 0.489 120.407 119.914 0.006 0.000 2.515 355 V HA -0.209 3.912 4.120 0.003 0.000 0.250 355 V C 2.476 178.553 176.094 -0.028 0.000 1.058 355 V CA 1.346 63.609 62.300 -0.062 0.000 1.064 355 V CB -0.894 30.906 31.823 -0.039 0.000 0.675 355 V HN 0.568 nan 8.190 nan 0.000 0.461 356 A N 0.119 122.939 122.820 -0.001 0.000 1.858 356 A HA -0.163 4.159 4.320 0.003 0.000 0.216 356 A C 2.195 179.792 177.584 0.022 0.000 1.190 356 A CA 1.825 53.873 52.037 0.018 0.000 0.617 356 A CB -0.540 18.474 19.000 0.022 0.000 0.827 356 A HN 0.482 nan 8.150 nan 0.000 0.443 357 L N -0.104 121.123 121.223 0.005 0.000 2.093 357 L HA -0.152 4.189 4.340 0.003 0.000 0.208 357 L C 2.977 179.897 176.870 0.084 0.000 1.085 357 L CA 1.815 56.690 54.840 0.058 0.000 0.755 357 L CB -0.965 41.143 42.059 0.081 0.000 0.904 357 L HN 0.674 nan 8.230 nan 0.000 0.435 358 T N -4.631 109.868 114.554 -0.091 0.000 2.857 358 T HA -0.085 4.267 4.350 0.003 0.000 0.266 358 T C 2.030 176.808 174.700 0.130 0.000 1.048 358 T CA 1.202 63.199 62.100 -0.171 0.000 1.139 358 T CB -0.225 68.314 68.868 -0.548 0.000 0.874 358 T HN 0.119 nan 8.240 nan 0.000 0.455 359 S N 1.661 117.430 115.700 0.115 0.000 2.368 359 S HA -0.098 4.374 4.470 0.003 0.000 0.224 359 S C 1.848 176.515 174.600 0.112 0.000 1.029 359 S CA 1.234 59.527 58.200 0.156 0.000 0.988 359 S CB -0.524 62.742 63.200 0.110 0.000 0.838 359 S HN 0.523 nan 8.310 nan 0.000 0.462 360 D N 1.617 122.075 120.400 0.097 0.000 2.117 360 D HA 0.021 4.663 4.640 0.003 0.000 0.198 360 D C 2.143 178.500 176.300 0.095 0.000 0.982 360 D CA 1.176 55.226 54.000 0.083 0.000 0.828 360 D CB -0.439 40.404 40.800 0.071 0.000 0.967 360 D HN 0.369 nan 8.370 nan 0.000 0.464 361 A N 0.764 123.677 122.820 0.155 0.000 1.902 361 A HA -0.138 4.184 4.320 0.003 0.000 0.217 361 A C 2.154 179.816 177.584 0.131 0.000 1.181 361 A CA 0.993 53.142 52.037 0.186 0.000 0.623 361 A CB -0.684 18.555 19.000 0.397 0.000 0.818 361 A HN 0.247 nan 8.150 nan 0.000 0.443 362 L N -0.253 121.045 121.223 0.125 0.000 2.093 362 L HA -0.007 4.335 4.340 0.003 0.000 0.208 362 L C 2.628 179.493 176.870 -0.008 0.000 1.085 362 L CA 2.058 56.919 54.840 0.034 0.000 0.755 362 L CB -0.794 41.221 42.059 -0.073 0.000 0.904 362 L HN 0.335 nan 8.230 nan 0.000 0.435 363 A N -1.498 121.331 122.820 0.015 0.000 1.940 363 A HA -0.216 4.106 4.320 0.003 0.000 0.219 363 A C 2.260 179.824 177.584 -0.033 0.000 1.176 363 A CA 2.348 54.384 52.037 -0.001 0.000 0.631 363 A CB -1.190 17.825 19.000 0.026 0.000 0.814 363 A HN 0.516 nan 8.150 nan 0.000 0.446 364 T N 0.157 114.700 114.554 -0.019 0.000 2.737 364 T HA 0.022 4.373 4.350 0.003 0.000 0.265 364 T C 2.264 176.910 174.700 -0.090 0.000 1.038 364 T CA 1.529 63.605 62.100 -0.041 0.000 1.144 364 T CB -0.468 68.390 68.868 -0.016 0.000 0.866 364 T HN 0.603 nan 8.240 nan 0.000 0.434 365 A N 1.037 123.806 122.820 -0.085 0.000 1.908 365 A HA -0.070 4.252 4.320 0.003 0.000 0.218 365 A C 2.585 180.002 177.584 -0.278 0.000 1.181 365 A CA 1.417 53.371 52.037 -0.139 0.000 0.627 365 A CB -1.101 17.853 19.000 -0.078 0.000 0.818 365 A HN 0.346 nan 8.150 nan 0.000 0.445 366 V N -0.245 119.496 119.914 -0.290 0.000 2.343 366 V HA -0.240 3.882 4.120 0.003 0.000 0.247 366 V C 2.750 178.522 176.094 -0.535 0.000 1.051 366 V CA 2.509 64.496 62.300 -0.521 0.000 1.036 366 V CB -1.206 30.480 31.823 -0.228 0.000 0.654 366 V HN 0.625 nan 8.190 nan 0.000 0.451 367 T N -0.278 114.108 114.554 -0.279 0.000 2.788 367 T HA -0.145 4.206 4.350 0.003 0.000 0.268 367 T C 1.929 176.494 174.700 -0.226 0.000 1.044 367 T CA 1.506 63.482 62.100 -0.206 0.000 1.139 367 T CB -0.165 68.639 68.868 -0.106 0.000 0.867 367 T HN 0.281 nan 8.240 nan 0.000 0.454 368 V N 1.179 120.957 119.914 -0.228 0.000 2.295 368 V HA -0.098 4.024 4.120 0.003 0.000 0.246 368 V C 2.391 178.338 176.094 -0.245 0.000 1.049 368 V CA 1.332 63.517 62.300 -0.191 0.000 1.024 368 V CB -0.547 31.178 31.823 -0.163 0.000 0.648 368 V HN 0.320 nan 8.190 nan 0.000 0.447 369 L N 0.286 121.265 121.223 -0.406 0.000 2.141 369 L HA -0.038 4.304 4.340 0.003 0.000 0.209 369 L C 2.529 179.163 176.870 -0.393 0.000 1.094 369 L CA 2.042 56.622 54.840 -0.433 0.000 0.763 369 L CB -1.155 40.504 42.059 -0.667 0.000 0.908 369 L HN 0.287 nan 8.230 nan 0.000 0.437 370 A N -0.613 121.844 122.820 -0.605 0.000 1.969 370 A HA -0.045 4.277 4.320 0.003 0.000 0.218 370 A C 2.423 179.979 177.584 -0.047 0.000 1.169 370 A CA 1.431 53.321 52.037 -0.245 0.000 0.635 370 A CB -1.205 17.677 19.000 -0.196 0.000 0.810 370 A HN 0.417 nan 8.150 nan 0.000 0.445 371 G N -0.041 108.702 108.800 -0.095 0.000 2.422 371 G HA2 -0.137 3.824 3.960 0.003 0.000 0.218 371 G HA3 -0.137 3.824 3.960 0.003 0.000 0.218 371 G C 1.476 176.375 174.900 -0.003 0.000 1.146 371 G CA 1.213 46.291 45.100 -0.036 0.000 0.769 371 G HN 0.517 nan 8.290 nan 0.000 0.547 372 L N 1.408 122.624 121.223 -0.012 0.000 2.017 372 L HA 0.181 4.523 4.340 0.003 0.000 0.208 372 L C 3.016 179.927 176.870 0.068 0.000 1.073 372 L CA 2.287 57.143 54.840 0.027 0.000 0.745 372 L CB -0.852 41.215 42.059 0.013 0.000 0.894 372 L HN 0.210 nan 8.230 nan 0.000 0.432 373 A N -0.787 122.100 122.820 0.111 0.000 1.908 373 A HA -0.242 4.079 4.320 0.003 0.000 0.218 373 A C 2.331 179.973 177.584 0.095 0.000 1.181 373 A CA 1.796 53.918 52.037 0.141 0.000 0.627 373 A CB -0.813 18.334 19.000 0.244 0.000 0.818 373 A HN 0.606 nan 8.150 nan 0.000 0.445 374 E N -0.113 120.136 120.200 0.082 0.000 2.110 374 E HA -0.193 4.158 4.350 0.003 0.000 0.193 374 E C 2.057 178.688 176.600 0.051 0.000 0.988 374 E CA 0.865 57.303 56.400 0.062 0.000 0.804 374 E CB -0.201 29.530 29.700 0.051 0.000 0.745 374 E HN 0.378 nan 8.360 nan 0.000 0.458 375 R N 0.287 120.815 120.500 0.047 0.000 2.148 375 R HA -0.018 4.324 4.340 0.003 0.000 0.223 375 R C 2.342 178.668 176.300 0.044 0.000 1.088 375 R CA 0.738 56.862 56.100 0.041 0.000 0.985 375 R CB -0.338 29.984 30.300 0.037 0.000 0.880 375 R HN 0.389 nan 8.270 nan 0.000 0.451 376 Q N -0.022 119.810 119.800 0.054 0.000 2.119 376 Q HA -0.017 4.324 4.340 0.003 0.000 0.201 376 Q C 2.131 178.152 176.000 0.035 0.000 0.972 376 Q CA 1.022 56.857 55.803 0.053 0.000 0.847 376 Q CB -0.024 28.756 28.738 0.070 0.000 0.903 376 Q HN 0.305 nan 8.270 nan 0.000 0.433 377 I N 0.520 121.111 120.570 0.034 0.000 2.202 377 I HA -0.237 3.935 4.170 0.003 0.000 0.242 377 I C 2.410 178.548 176.117 0.035 0.000 1.091 377 I CA 0.875 62.187 61.300 0.021 0.000 1.368 377 I CB -0.400 37.616 38.000 0.027 0.000 1.058 377 I HN 0.140 nan 8.210 nan 0.000 0.410 378 A N 0.792 123.639 122.820 0.046 0.000 1.978 378 A HA -0.257 4.065 4.320 0.003 0.000 0.220 378 A C 2.432 180.027 177.584 0.019 0.000 1.170 378 A CA 1.955 54.022 52.037 0.051 0.000 0.636 378 A CB -0.637 18.392 19.000 0.048 0.000 0.810 378 A HN 0.405 nan 8.150 nan 0.000 0.448 379 R N -1.051 119.456 120.500 0.012 0.000 2.075 379 R HA 0.007 4.349 4.340 0.003 0.000 0.226 379 R C 2.015 178.303 176.300 -0.021 0.000 1.114 379 R CA 1.251 57.349 56.100 -0.004 0.000 0.972 379 R CB -0.377 29.929 30.300 0.010 0.000 0.869 379 R HN 0.388 nan 8.270 nan 0.000 0.437 380 L N 1.212 122.427 121.223 -0.012 0.000 2.083 380 L HA -0.105 4.237 4.340 0.003 0.000 0.209 380 L C 1.987 178.828 176.870 -0.047 0.000 1.083 380 L CA 2.421 57.246 54.840 -0.025 0.000 0.752 380 L CB -0.490 41.554 42.059 -0.024 0.000 0.899 380 L HN 0.427 nan 8.230 nan 0.000 0.433 381 T N -4.066 110.461 114.554 -0.046 0.000 3.129 381 T HA 0.018 4.370 4.350 0.003 0.000 0.251 381 T C 0.717 175.207 174.700 -0.350 0.000 1.117 381 T CA -0.107 61.937 62.100 -0.093 0.000 1.034 381 T CB -0.490 68.441 68.868 0.105 0.000 0.968 381 T HN 0.253 nan 8.240 nan 0.000 0.526 382 D N 2.571 122.830 120.400 -0.235 0.000 2.347 382 D HA 0.076 4.717 4.640 0.003 0.000 0.235 382 D C 1.298 177.476 176.300 -0.203 0.000 1.149 382 D CA -0.311 53.530 54.000 -0.266 0.000 0.850 382 D CB 1.292 42.016 40.800 -0.126 0.000 1.061 382 D HN 0.615 nan 8.370 nan 0.000 0.487 383 E N 3.267 123.323 120.200 -0.241 0.000 2.267 383 E HA -0.204 4.148 4.350 0.003 0.000 0.197 383 E C 0.984 177.537 176.600 -0.078 0.000 0.998 383 E CA 0.828 57.149 56.400 -0.131 0.000 0.830 383 E CB 0.067 29.705 29.700 -0.104 0.000 0.751 383 E HN 0.378 nan 8.360 nan 0.000 0.491 384 R N 0.062 120.516 120.500 -0.076 0.000 2.240 384 R HA 0.172 4.514 4.340 0.003 0.000 0.203 384 R C 1.747 178.022 176.300 -0.041 0.000 1.011 384 R CA 0.578 56.650 56.100 -0.046 0.000 1.007 384 R CB 0.164 30.442 30.300 -0.037 0.000 0.911 384 R HN 0.272 nan 8.270 nan 0.000 0.468 385 L N 0.088 121.280 121.223 -0.051 0.000 2.749 385 L HA 0.122 4.464 4.340 0.003 0.000 0.242 385 L C 0.574 177.423 176.870 -0.035 0.000 1.103 385 L CA -0.103 54.714 54.840 -0.038 0.000 0.906 385 L CB 0.162 42.199 42.059 -0.036 0.000 1.228 385 L HN 0.126 nan 8.230 nan 0.000 0.517 386 N N 0.842 119.515 118.700 -0.046 0.000 2.362 386 N HA -0.039 4.702 4.740 0.003 0.000 0.204 386 N C 0.022 175.516 175.510 -0.026 0.000 1.166 386 N CA -0.279 52.749 53.050 -0.036 0.000 0.831 386 N CB -0.208 38.251 38.487 -0.048 0.000 1.008 386 N HN 0.055 nan 8.380 nan 0.000 0.472 387 R N -0.365 120.121 120.500 -0.024 0.000 3.188 387 R HA -0.169 4.173 4.340 0.003 0.000 0.247 387 R C 0.794 177.085 176.300 -0.015 0.000 0.918 387 R CA 0.496 56.585 56.100 -0.017 0.000 0.629 387 R CB -2.044 28.248 30.300 -0.014 0.000 1.087 387 R HN 0.640 nan 8.270 nan 0.000 0.462 388 G N -0.913 107.877 108.800 -0.016 0.000 2.175 388 G HA2 -0.303 3.659 3.960 0.003 0.000 0.244 388 G HA3 -0.303 3.659 3.960 0.003 0.000 0.244 388 G C 0.255 175.147 174.900 -0.013 0.000 0.982 388 G CA 0.082 45.175 45.100 -0.012 0.000 0.641 388 G HN 0.284 nan 8.290 nan 0.000 0.527 389 L N 1.325 122.537 121.223 -0.019 0.000 2.418 389 L HA 0.432 4.774 4.340 0.003 0.000 0.265 389 L C -1.628 175.231 176.870 -0.019 0.000 1.143 389 L CA -2.093 52.735 54.840 -0.020 0.000 0.809 389 L CB 0.695 42.742 42.059 -0.020 0.000 1.124 389 L HN -0.101 nan 8.230 nan 0.000 0.456 390 P HA 0.042 nan 4.420 nan 0.000 0.267 390 P C -2.478 174.860 177.300 0.063 0.000 1.200 390 P CA -0.883 62.222 63.100 0.008 0.000 0.772 390 P CB -0.178 31.417 31.700 -0.176 0.000 0.855 391 P HA 0.001 nan 4.420 nan 0.000 0.266 391 P C -0.280 177.106 177.300 0.143 0.000 1.215 391 P CA 0.343 63.418 63.100 -0.041 0.000 0.763 391 P CB -0.178 31.539 31.700 0.027 0.000 0.806 392 F N 1.681 121.731 119.950 0.166 0.000 3.034 392 F HA -0.238 4.289 4.527 0.000 0.000 0.286 392 F C 1.288 177.262 175.800 0.291 0.000 0.804 392 F CA 0.290 58.412 58.000 0.203 0.000 1.161 392 F CB -2.603 36.504 39.000 0.179 0.000 1.317 392 F HN 0.272 nan 8.300 nan 0.000 0.453 393 L N -1.558 119.838 121.223 0.289 0.000 3.737 393 L HA -0.314 4.028 4.340 0.003 0.000 0.418 393 L C 1.303 178.328 176.870 0.258 0.000 1.216 393 L CA 1.060 56.047 54.840 0.245 0.000 0.915 393 L CB -1.941 40.288 42.059 0.282 0.000 1.834 393 L HN 0.695 nan 8.230 nan 0.000 0.943 394 H N 0.364 119.555 119.070 0.202 0.000 2.603 394 H HA 0.684 5.242 4.556 0.003 0.000 0.370 394 H C 0.272 175.652 175.328 0.086 0.000 1.225 394 H CA -0.500 55.621 56.048 0.121 0.000 1.410 394 H CB 0.957 30.782 29.762 0.106 0.000 1.495 394 H HN 0.293 nan 8.280 nan 0.000 0.602 395 R N -0.185 120.308 120.500 -0.011 0.000 2.912 395 R HA 0.477 4.819 4.340 0.003 0.000 0.262 395 R C -0.233 176.155 176.300 0.147 0.000 1.057 395 R CA -0.277 55.796 56.100 -0.046 0.000 0.981 395 R CB 1.996 32.293 30.300 -0.004 0.000 1.201 395 R HN 1.086 nan 8.270 nan 0.000 0.484 396 G N 1.177 110.037 108.800 0.100 0.000 2.741 396 G HA2 -0.193 3.768 3.960 0.003 0.000 0.222 396 G HA3 -0.193 3.768 3.960 0.003 0.000 0.222 396 G C -2.694 172.324 174.900 0.197 0.000 1.364 396 G CA -1.176 43.997 45.100 0.122 0.000 0.866 396 G HN 0.386 nan 8.290 nan 0.000 0.555 397 P HA 0.475 nan 4.420 nan 0.000 0.267 397 P C 0.353 177.677 177.300 0.041 0.000 1.205 397 P CA 0.761 63.919 63.100 0.097 0.000 0.765 397 P CB 0.822 32.548 31.700 0.043 0.000 0.828 398 A N 3.213 126.038 122.820 0.009 0.000 2.407 398 A HA 0.502 4.824 4.320 0.003 0.000 0.248 398 A C 1.564 179.045 177.584 -0.172 0.000 1.082 398 A CA 0.751 52.612 52.037 -0.293 0.000 0.785 398 A CB -0.907 18.020 19.000 -0.122 0.000 1.020 398 A HN 0.802 nan 8.150 nan 0.000 0.489 399 G N 0.321 108.998 108.800 -0.205 0.000 3.329 399 G HA2 -0.309 3.653 3.960 0.003 0.000 0.220 399 G HA3 -0.309 3.653 3.960 0.003 0.000 0.220 399 G C 1.126 175.973 174.900 -0.088 0.000 1.358 399 G CA 0.558 45.597 45.100 -0.102 0.000 0.856 399 G HN 0.839 nan 8.290 nan 0.000 0.551 400 L N 0.952 122.132 121.223 -0.072 0.000 2.131 400 L HA 0.107 4.449 4.340 0.003 0.000 0.210 400 L C 0.880 177.717 176.870 -0.055 0.000 1.092 400 L CA 1.049 55.861 54.840 -0.047 0.000 0.759 400 L CB -0.296 41.750 42.059 -0.022 0.000 0.903 400 L HN 0.323 nan 8.230 nan 0.000 0.435 401 N N -1.332 117.317 118.700 -0.084 0.000 2.321 401 N HA 0.202 4.944 4.740 0.003 0.000 0.299 401 N C -0.025 175.411 175.510 -0.123 0.000 1.048 401 N CA -0.113 52.900 53.050 -0.063 0.000 0.836 401 N CB 2.088 40.600 38.487 0.042 0.000 1.269 401 N HN -0.202 nan 8.380 nan 0.000 0.486 402 S N 0.095 115.756 115.700 -0.065 0.000 2.603 402 S HA 0.248 4.719 4.470 0.003 0.000 0.232 402 S C 1.281 175.903 174.600 0.037 0.000 1.016 402 S CA 0.042 58.207 58.200 -0.058 0.000 0.976 402 S CB 0.463 63.579 63.200 -0.140 0.000 0.921 402 S HN 0.919 nan 8.310 nan 0.000 0.516 403 G N 2.476 111.299 108.800 0.038 0.000 2.634 403 G HA2 -0.350 3.611 3.960 0.003 0.000 0.318 403 G HA3 -0.350 3.611 3.960 0.003 0.000 0.318 403 G C 0.267 175.058 174.900 -0.182 0.000 1.207 403 G CA 0.887 45.970 45.100 -0.028 0.000 0.987 403 G HN 0.469 nan 8.290 nan 0.000 0.547 404 F N 1.341 121.372 119.950 0.135 0.000 2.664 404 F HA 0.480 5.008 4.527 0.002 0.000 0.301 404 F C 2.388 178.215 175.800 0.045 0.000 1.126 404 F CA 0.909 58.965 58.000 0.093 0.000 1.373 404 F CB 0.151 39.224 39.000 0.123 0.000 1.042 404 F HN 0.322 nan 8.300 nan 0.000 0.535 405 M N -0.007 119.584 119.600 -0.014 0.000 2.149 405 M HA -0.133 4.349 4.480 0.003 0.000 0.261 405 M C 2.368 178.540 176.300 -0.213 0.000 1.064 405 M CA 2.228 57.248 55.300 -0.467 0.000 1.102 405 M CB -0.441 31.601 32.600 -0.930 0.000 1.369 405 M HN 0.312 nan 8.290 nan 0.000 0.408 406 G N -0.821 107.911 108.800 -0.114 0.000 2.394 406 G HA2 -0.098 3.864 3.960 0.003 0.000 0.214 406 G HA3 -0.098 3.864 3.960 0.003 0.000 0.214 406 G C 1.489 176.395 174.900 0.010 0.000 1.176 406 G CA 0.724 45.787 45.100 -0.060 0.000 0.786 406 G HN 0.611 nan 8.290 nan 0.000 0.533 407 A N 0.015 122.879 122.820 0.073 0.000 1.940 407 A HA -0.124 4.198 4.320 0.003 0.000 0.219 407 A C 2.277 179.928 177.584 0.110 0.000 1.176 407 A CA 2.096 54.206 52.037 0.121 0.000 0.631 407 A CB -0.441 18.712 19.000 0.255 0.000 0.814 407 A HN 0.390 nan 8.150 nan 0.000 0.446 408 Q N 0.045 119.925 119.800 0.135 0.000 2.084 408 Q HA -0.121 4.220 4.340 0.003 0.000 0.202 408 Q C 2.097 178.148 176.000 0.085 0.000 0.978 408 Q CA 2.051 57.932 55.803 0.130 0.000 0.844 408 Q CB -0.307 28.562 28.738 0.218 0.000 0.898 408 Q HN 0.433 nan 8.270 nan 0.000 0.426 409 V N 0.538 120.484 119.914 0.053 0.000 2.427 409 V HA -0.197 3.924 4.120 0.003 0.000 0.248 409 V C 2.344 178.456 176.094 0.031 0.000 1.051 409 V CA 1.995 64.315 62.300 0.034 0.000 1.048 409 V CB -0.788 31.037 31.823 0.003 0.000 0.666 409 V HN 0.374 nan 8.190 nan 0.000 0.456 410 T N 0.424 114.997 114.554 0.031 0.000 2.788 410 T HA -0.157 4.195 4.350 0.003 0.000 0.268 410 T C 2.050 176.770 174.700 0.035 0.000 1.044 410 T CA 1.580 63.697 62.100 0.029 0.000 1.139 410 T CB -0.340 68.545 68.868 0.028 0.000 0.867 410 T HN 0.575 nan 8.240 nan 0.000 0.454 411 A N 1.104 123.951 122.820 0.044 0.000 1.930 411 A HA -0.102 4.220 4.320 0.003 0.000 0.217 411 A C 2.541 180.152 177.584 0.045 0.000 1.175 411 A CA 1.944 54.009 52.037 0.046 0.000 0.627 411 A CB -1.106 17.924 19.000 0.050 0.000 0.815 411 A HN 0.461 nan 8.150 nan 0.000 0.443 412 T N 0.220 114.800 114.554 0.044 0.000 2.821 412 T HA 0.020 4.371 4.350 0.003 0.000 0.267 412 T C 2.214 176.932 174.700 0.030 0.000 1.046 412 T CA 1.419 63.542 62.100 0.038 0.000 1.139 412 T CB -0.383 68.508 68.868 0.039 0.000 0.871 412 T HN 0.583 nan 8.240 nan 0.000 0.454 413 A N 1.351 124.187 122.820 0.028 0.000 1.902 413 A HA 0.020 4.342 4.320 0.003 0.000 0.217 413 A C 2.290 179.889 177.584 0.025 0.000 1.181 413 A CA 1.152 53.203 52.037 0.023 0.000 0.623 413 A CB -0.838 18.174 19.000 0.019 0.000 0.818 413 A HN 0.469 nan 8.150 nan 0.000 0.443 414 L N -1.107 120.134 121.223 0.031 0.000 2.046 414 L HA -0.185 4.156 4.340 0.003 0.000 0.208 414 L C 2.584 179.476 176.870 0.037 0.000 1.077 414 L CA 1.287 56.148 54.840 0.036 0.000 0.747 414 L CB -0.603 41.482 42.059 0.044 0.000 0.896 414 L HN 0.472 nan 8.230 nan 0.000 0.432 415 L N 0.297 121.542 121.223 0.036 0.000 2.017 415 L HA -0.134 4.208 4.340 0.003 0.000 0.208 415 L C 2.672 179.552 176.870 0.016 0.000 1.073 415 L CA 2.027 56.883 54.840 0.026 0.000 0.745 415 L CB -0.771 41.303 42.059 0.024 0.000 0.894 415 L HN 0.140 nan 8.230 nan 0.000 0.432 416 A N -0.818 122.012 122.820 0.017 0.000 1.908 416 A HA -0.306 4.016 4.320 0.003 0.000 0.218 416 A C 2.334 179.926 177.584 0.013 0.000 1.181 416 A CA 1.997 54.042 52.037 0.013 0.000 0.627 416 A CB -0.801 18.208 19.000 0.014 0.000 0.818 416 A HN 0.653 nan 8.150 nan 0.000 0.445 417 E N -0.657 119.553 120.200 0.017 0.000 2.077 417 E HA -0.193 4.159 4.350 0.003 0.000 0.193 417 E C 2.053 178.664 176.600 0.018 0.000 0.989 417 E CA 1.374 57.785 56.400 0.017 0.000 0.800 417 E CB -0.212 29.501 29.700 0.020 0.000 0.746 417 E HN 0.683 nan 8.360 nan 0.000 0.452 418 M N 0.017 119.629 119.600 0.019 0.000 2.108 418 M HA -0.184 4.297 4.480 0.003 0.000 0.261 418 M C 2.330 178.634 176.300 0.008 0.000 1.066 418 M CA 1.600 56.909 55.300 0.016 0.000 1.107 418 M CB -0.237 32.370 32.600 0.011 0.000 1.356 418 M HN 0.018 nan 8.290 nan 0.000 0.406 419 R N 0.149 120.651 120.500 0.003 0.000 2.193 419 R HA -0.038 4.304 4.340 0.003 0.000 0.229 419 R C 2.201 178.506 176.300 0.008 0.000 1.110 419 R CA 1.116 57.217 56.100 0.001 0.000 0.988 419 R CB -0.465 29.834 30.300 -0.001 0.000 0.871 419 R HN 0.386 nan 8.270 nan 0.000 0.458 420 A N 0.536 123.363 122.820 0.012 0.000 2.067 420 A HA -0.028 4.294 4.320 0.003 0.000 0.219 420 A C 0.777 178.373 177.584 0.019 0.000 1.158 420 A CA 0.887 52.933 52.037 0.014 0.000 0.661 420 A CB 0.112 19.120 19.000 0.012 0.000 0.801 420 A HN 0.100 nan 8.150 nan 0.000 0.452 421 T N 0.211 114.778 114.554 0.022 0.000 2.771 421 T HA 0.546 4.898 4.350 0.003 0.000 0.281 421 T C 0.483 175.207 174.700 0.039 0.000 0.982 421 T CA 0.053 62.171 62.100 0.031 0.000 0.978 421 T CB 1.490 70.376 68.868 0.029 0.000 0.930 421 T HN 0.365 nan 8.240 nan 0.000 0.447 422 G N 3.261 112.098 108.800 0.061 0.000 2.702 422 G HA2 0.662 4.624 3.960 0.003 0.000 0.254 422 G HA3 0.662 4.624 3.960 0.003 0.000 0.254 422 G C -2.604 172.344 174.900 0.080 0.000 1.380 422 G CA -1.550 43.589 45.100 0.064 0.000 1.042 422 G HN 0.434 nan 8.290 nan 0.000 0.557 423 P HA 0.276 nan 4.420 nan 0.000 0.267 423 P C 0.287 177.645 177.300 0.096 0.000 1.200 423 P CA 0.335 63.467 63.100 0.054 0.000 0.772 423 P CB 1.354 33.061 31.700 0.011 0.000 0.855 424 A N 1.780 124.661 122.820 0.101 0.000 1.997 424 A HA -0.030 4.292 4.320 0.003 0.000 0.212 424 A C 2.042 179.689 177.584 0.104 0.000 1.178 424 A CA 0.949 53.086 52.037 0.166 0.000 0.698 424 A CB -1.014 18.056 19.000 0.117 0.000 0.842 424 A HN 0.470 nan 8.150 nan 0.000 0.458 425 S N 0.673 116.392 115.700 0.031 0.000 2.419 425 S HA -0.184 4.288 4.470 0.003 0.000 0.235 425 S C 1.691 176.255 174.600 -0.061 0.000 1.019 425 S CA 1.595 59.794 58.200 0.000 0.000 0.982 425 S CB -0.695 62.506 63.200 0.002 0.000 0.789 425 S HN 0.788 nan 8.310 nan 0.000 0.490 426 I N -1.339 119.120 120.570 -0.185 0.000 3.444 426 I HA 0.050 4.221 4.170 0.003 0.000 0.287 426 I C 0.685 176.594 176.117 -0.347 0.000 1.302 426 I CA 0.961 62.092 61.300 -0.281 0.000 1.368 426 I CB -0.371 37.414 38.000 -0.358 0.000 1.048 426 I HN 0.165 nan 8.210 nan 0.000 0.487 427 H N 1.373 120.455 119.070 0.019 0.000 2.550 427 H HA 0.315 4.872 4.556 0.002 0.000 0.304 427 H C 0.611 175.951 175.328 0.020 0.000 1.086 427 H CA -0.233 55.826 56.048 0.018 0.000 1.089 427 H CB 0.051 29.824 29.762 0.018 0.000 1.528 427 H HN 0.292 nan 8.280 nan 0.000 0.539 428 S N 1.242 116.988 115.700 0.077 0.000 2.549 428 S HA 0.212 4.684 4.470 0.003 0.000 0.286 428 S C 0.270 174.909 174.600 0.065 0.000 1.314 428 S CA -0.250 57.989 58.200 0.065 0.000 1.062 428 S CB 0.008 63.232 63.200 0.039 0.000 0.865 428 S HN 0.306 nan 8.310 nan 0.000 0.498 429 I N 3.457 124.063 120.570 0.061 0.000 2.499 429 I HA 0.211 4.383 4.170 0.003 0.000 0.288 429 I C 0.060 176.203 176.117 0.044 0.000 1.048 429 I CA -0.624 60.707 61.300 0.051 0.000 1.062 429 I CB 2.103 40.134 38.000 0.051 0.000 1.238 429 I HN 0.589 nan 8.210 nan 0.000 0.426 430 S N 4.140 119.863 115.700 0.039 0.000 2.544 430 S HA 0.227 4.699 4.470 0.003 0.000 0.290 430 S C -0.184 174.438 174.600 0.036 0.000 1.276 430 S CA 0.472 58.694 58.200 0.037 0.000 1.075 430 S CB 0.216 63.435 63.200 0.032 0.000 0.849 430 S HN 0.774 nan 8.310 nan 0.000 0.494 431 T N 3.176 117.753 114.554 0.039 0.000 2.696 431 T HA 0.420 4.772 4.350 0.003 0.000 0.291 431 T C -0.340 174.384 174.700 0.039 0.000 1.095 431 T CA -0.106 62.016 62.100 0.037 0.000 1.026 431 T CB 0.837 69.729 68.868 0.039 0.000 1.390 431 T HN 0.915 nan 8.240 nan 0.000 0.513 432 N N 0.620 119.343 118.700 0.039 0.000 2.746 432 N HA -0.218 4.524 4.740 0.003 0.000 0.250 432 N C 0.277 175.809 175.510 0.036 0.000 1.055 432 N CA 0.796 53.871 53.050 0.042 0.000 0.699 432 N CB -1.195 37.322 38.487 0.051 0.000 0.919 432 N HN 1.575 nan 8.380 nan 0.000 0.548 433 A N -0.655 122.183 122.820 0.029 0.000 2.783 433 A HA 0.014 4.336 4.320 0.003 0.000 0.292 433 A C 1.338 178.938 177.584 0.028 0.000 1.495 433 A CA 2.081 54.132 52.037 0.024 0.000 0.787 433 A CB -2.277 16.735 19.000 0.020 0.000 1.017 433 A HN 2.258 nan 8.150 nan 0.000 0.516 434 A N -2.404 120.434 122.820 0.030 0.000 3.396 434 A HA -0.360 3.961 4.320 0.003 0.000 0.267 434 A C 1.405 179.012 177.584 0.037 0.000 1.139 434 A CA 2.019 54.075 52.037 0.031 0.000 1.115 434 A CB -2.535 16.481 19.000 0.026 0.000 1.133 434 A HN 2.214 nan 8.150 nan 0.000 0.920 435 N N 0.048 118.773 118.700 0.042 0.000 2.142 435 N HA -0.100 4.642 4.740 0.003 0.000 0.186 435 N C 0.988 176.532 175.510 0.058 0.000 1.023 435 N CA 1.900 54.980 53.050 0.050 0.000 0.852 435 N CB -0.170 38.352 38.487 0.058 0.000 0.998 435 N HN 0.751 nan 8.380 nan 0.000 0.424 436 Q N 0.568 120.401 119.800 0.056 0.000 3.091 436 Q HA 0.062 4.404 4.340 0.003 0.000 0.301 436 Q C -0.427 175.606 176.000 0.056 0.000 1.337 436 Q CA -0.273 55.569 55.803 0.064 0.000 1.083 436 Q CB 0.527 29.298 28.738 0.056 0.000 1.477 436 Q HN 0.519 nan 8.270 nan 0.000 0.537 437 D N -0.447 119.984 120.400 0.052 0.000 2.348 437 D HA -0.075 4.566 4.640 0.003 0.000 0.216 437 D C 0.681 177.007 176.300 0.042 0.000 0.970 437 D CA 0.414 54.439 54.000 0.042 0.000 0.889 437 D CB 0.100 40.920 40.800 0.035 0.000 0.912 437 D HN 0.207 nan 8.370 nan 0.000 0.524 438 V N -1.743 118.201 119.914 0.050 0.000 2.733 438 V HA 0.744 4.866 4.120 0.003 0.000 0.306 438 V C -0.443 175.689 176.094 0.063 0.000 1.084 438 V CA -1.235 61.094 62.300 0.048 0.000 0.905 438 V CB 1.896 33.742 31.823 0.038 0.000 1.010 438 V HN 0.088 nan 8.190 nan 0.000 0.424 439 V N 1.066 121.016 119.914 0.060 0.000 2.962 439 V HA 0.770 4.892 4.120 0.003 0.000 0.313 439 V C 1.097 177.228 176.094 0.062 0.000 1.099 439 V CA 0.268 62.610 62.300 0.071 0.000 0.971 439 V CB 1.433 33.295 31.823 0.066 0.000 1.028 439 V HN 1.302 nan 8.190 nan 0.000 0.430 440 S N 2.652 118.393 115.700 0.068 0.000 2.395 440 S HA 0.068 4.539 4.470 0.003 0.000 0.225 440 S C 1.162 175.793 174.600 0.052 0.000 1.027 440 S CA 1.159 59.392 58.200 0.055 0.000 0.965 440 S CB -0.870 62.367 63.200 0.060 0.000 0.812 440 S HN 1.381 nan 8.310 nan 0.000 0.482 441 L N 0.354 121.612 121.223 0.058 0.000 4.040 441 L HA -0.197 4.145 4.340 0.003 0.000 0.410 441 L C 1.510 178.412 176.870 0.054 0.000 1.187 441 L CA 0.006 54.881 54.840 0.059 0.000 0.956 441 L CB -2.275 39.827 42.059 0.073 0.000 2.022 441 L HN 0.534 nan 8.230 nan 0.000 0.897 442 G N -0.329 108.501 108.800 0.049 0.000 2.422 442 G HA2 -0.213 3.748 3.960 0.003 0.000 0.218 442 G HA3 -0.213 3.748 3.960 0.003 0.000 0.218 442 G C 1.284 176.209 174.900 0.041 0.000 1.146 442 G CA 1.406 46.532 45.100 0.043 0.000 0.769 442 G HN 0.477 nan 8.290 nan 0.000 0.547 443 T N 1.296 115.873 114.554 0.039 0.000 2.777 443 T HA -0.020 4.332 4.350 0.003 0.000 0.266 443 T C 2.378 177.100 174.700 0.038 0.000 1.040 443 T CA 0.948 63.069 62.100 0.034 0.000 1.141 443 T CB -0.125 68.758 68.868 0.026 0.000 0.868 443 T HN 0.270 nan 8.240 nan 0.000 0.444 444 I N 1.648 122.243 120.570 0.041 0.000 2.179 444 I HA -0.161 4.011 4.170 0.003 0.000 0.242 444 I C 3.043 179.191 176.117 0.052 0.000 1.088 444 I CA 1.095 62.421 61.300 0.044 0.000 1.357 444 I CB -0.575 37.454 38.000 0.049 0.000 1.051 444 I HN 0.213 nan 8.210 nan 0.000 0.409 445 A N 0.877 123.731 122.820 0.058 0.000 1.883 445 A HA -0.235 4.087 4.320 0.003 0.000 0.217 445 A C 2.539 180.162 177.584 0.064 0.000 1.186 445 A CA 2.170 54.244 52.037 0.062 0.000 0.624 445 A CB -0.959 18.076 19.000 0.059 0.000 0.822 445 A HN 0.447 nan 8.150 nan 0.000 0.444 446 A N -0.626 122.232 122.820 0.063 0.000 1.933 446 A HA -0.136 4.186 4.320 0.003 0.000 0.218 446 A C 2.245 179.869 177.584 0.067 0.000 1.175 446 A CA 1.499 53.580 52.037 0.074 0.000 0.628 446 A CB -0.422 18.619 19.000 0.070 0.000 0.814 446 A HN 0.558 nan 8.150 nan 0.000 0.444 447 R N -0.605 119.928 120.500 0.055 0.000 2.092 447 R HA 0.034 4.376 4.340 0.003 0.000 0.231 447 R C 1.967 178.297 176.300 0.051 0.000 1.119 447 R CA 1.264 57.393 56.100 0.049 0.000 0.970 447 R CB -0.415 29.908 30.300 0.038 0.000 0.864 447 R HN 0.503 nan 8.270 nan 0.000 0.440 448 L N -0.304 120.949 121.223 0.051 0.000 2.093 448 L HA -0.203 4.139 4.340 0.003 0.000 0.208 448 L C 2.742 179.644 176.870 0.053 0.000 1.085 448 L CA 0.713 55.582 54.840 0.049 0.000 0.755 448 L CB -0.497 41.592 42.059 0.051 0.000 0.904 448 L HN 0.366 nan 8.230 nan 0.000 0.435 449 C N 0.372 119.706 119.300 0.058 0.000 2.440 449 C HA -0.149 4.313 4.460 0.003 0.000 0.278 449 C C 3.097 178.128 174.990 0.070 0.000 1.295 449 C CA 0.852 59.904 59.018 0.058 0.000 1.738 449 C CB -0.550 27.226 27.740 0.061 0.000 1.987 449 C HN 0.493 nan 8.230 nan 0.000 0.492 450 R N 1.265 121.809 120.500 0.073 0.000 2.081 450 R HA -0.071 4.270 4.340 0.003 0.000 0.235 450 R C 2.093 178.441 176.300 0.080 0.000 1.131 450 R CA 1.945 58.094 56.100 0.081 0.000 0.960 450 R CB -0.815 29.531 30.300 0.076 0.000 0.856 450 R HN 0.534 nan 8.270 nan 0.000 0.436 451 E N 0.687 120.927 120.200 0.067 0.000 2.110 451 E HA -0.160 4.192 4.350 0.003 0.000 0.193 451 E C 1.818 178.462 176.600 0.074 0.000 0.988 451 E CA 1.303 57.741 56.400 0.063 0.000 0.804 451 E CB -0.085 29.644 29.700 0.049 0.000 0.745 451 E HN 0.429 nan 8.360 nan 0.000 0.458 452 K N 0.296 120.741 120.400 0.075 0.000 2.097 452 K HA -0.007 4.314 4.320 0.003 0.000 0.205 452 K C 2.304 178.995 176.600 0.152 0.000 1.050 452 K CA 0.686 57.023 56.287 0.083 0.000 0.938 452 K CB -0.090 32.437 32.500 0.045 0.000 0.718 452 K HN 0.082 nan 8.250 nan 0.000 0.442 453 I N 1.531 122.202 120.570 0.168 0.000 2.226 453 I HA -0.288 3.884 4.170 0.003 0.000 0.245 453 I C 1.597 177.832 176.117 0.197 0.000 1.100 453 I CA 1.211 62.663 61.300 0.253 0.000 1.374 453 I CB -0.218 37.897 38.000 0.193 0.000 1.057 453 I HN 0.152 nan 8.210 nan 0.000 0.413 454 D N 0.492 120.967 120.400 0.126 0.000 2.144 454 D HA -0.129 4.512 4.640 0.003 0.000 0.199 454 D C 2.328 178.680 176.300 0.086 0.000 0.984 454 D CA 0.903 54.953 54.000 0.083 0.000 0.834 454 D CB -0.197 40.642 40.800 0.064 0.000 0.955 454 D HN 0.189 nan 8.370 nan 0.000 0.465 455 R N -0.098 120.470 120.500 0.113 0.000 2.075 455 R HA -0.112 4.230 4.340 0.003 0.000 0.232 455 R C 2.134 178.540 176.300 0.176 0.000 1.126 455 R CA 0.455 56.622 56.100 0.111 0.000 0.963 455 R CB -1.018 29.340 30.300 0.096 0.000 0.858 455 R HN 0.341 nan 8.270 nan 0.000 0.435 456 W N 1.939 123.238 121.300 -0.001 0.000 2.358 456 W HA -0.094 4.567 4.660 0.003 0.000 0.303 456 W C 2.092 178.599 176.519 -0.020 0.000 1.208 456 W CA 1.391 58.734 57.345 -0.002 0.000 1.274 456 W CB -0.608 28.858 29.460 0.010 0.000 1.138 456 W HN 0.136 nan 8.180 nan 0.000 0.515 457 A N 0.141 122.949 122.820 -0.021 0.000 1.933 457 A HA -0.223 4.099 4.320 0.003 0.000 0.218 457 A C 1.864 179.353 177.584 -0.157 0.000 1.175 457 A CA 1.959 53.873 52.037 -0.205 0.000 0.628 457 A CB -0.742 18.167 19.000 -0.151 0.000 0.814 457 A HN 0.459 nan 8.150 nan 0.000 0.444 458 E N -0.389 119.778 120.200 -0.055 0.000 2.107 458 E HA -0.068 4.284 4.350 0.003 0.000 0.191 458 E C 1.821 178.399 176.600 -0.037 0.000 0.982 458 E CA 0.986 57.356 56.400 -0.049 0.000 0.809 458 E CB -0.213 29.483 29.700 -0.006 0.000 0.756 458 E HN 0.696 nan 8.360 nan 0.000 0.459 459 I N 0.811 121.395 120.570 0.023 0.000 2.252 459 I HA -0.255 3.917 4.170 0.003 0.000 0.245 459 I C 2.191 178.311 176.117 0.005 0.000 1.102 459 I CA 0.946 62.278 61.300 0.053 0.000 1.385 459 I CB -0.134 37.958 38.000 0.153 0.000 1.064 459 I HN 0.121 nan 8.210 nan 0.000 0.414 460 L N 0.474 121.666 121.223 -0.053 0.000 2.141 460 L HA -0.167 4.175 4.340 0.003 0.000 0.209 460 L C 2.827 179.573 176.870 -0.205 0.000 1.094 460 L CA 1.137 55.900 54.840 -0.129 0.000 0.763 460 L CB -0.642 41.246 42.059 -0.285 0.000 0.908 460 L HN 0.227 nan 8.230 nan 0.000 0.437 461 A N 0.323 122.994 122.820 -0.248 0.000 1.902 461 A HA -0.170 4.152 4.320 0.003 0.000 0.217 461 A C 2.208 179.660 177.584 -0.219 0.000 1.181 461 A CA 1.436 53.296 52.037 -0.296 0.000 0.623 461 A CB -0.586 18.251 19.000 -0.272 0.000 0.818 461 A HN 0.349 nan 8.150 nan 0.000 0.443 462 I N -0.866 119.623 120.570 -0.134 0.000 2.252 462 I HA -0.213 3.959 4.170 0.003 0.000 0.245 462 I C 2.420 178.454 176.117 -0.138 0.000 1.102 462 I CA 1.114 62.357 61.300 -0.095 0.000 1.385 462 I CB -0.263 37.721 38.000 -0.028 0.000 1.064 462 I HN 0.390 nan 8.210 nan 0.000 0.414 463 L N 1.301 122.462 121.223 -0.103 0.000 2.046 463 L HA -0.142 4.199 4.340 0.003 0.000 0.208 463 L C 2.552 179.354 176.870 -0.112 0.000 1.077 463 L CA 2.136 56.922 54.840 -0.089 0.000 0.747 463 L CB -0.832 41.217 42.059 -0.017 0.000 0.896 463 L HN 0.179 nan 8.230 nan 0.000 0.432 464 A N -0.540 122.212 122.820 -0.114 0.000 1.902 464 A HA -0.163 4.158 4.320 0.003 0.000 0.217 464 A C 2.267 179.776 177.584 -0.125 0.000 1.181 464 A CA 1.990 53.976 52.037 -0.085 0.000 0.623 464 A CB -0.886 18.029 19.000 -0.142 0.000 0.818 464 A HN 0.508 nan 8.150 nan 0.000 0.443 465 L N -1.014 120.091 121.223 -0.196 0.000 2.093 465 L HA -0.214 4.127 4.340 0.003 0.000 0.208 465 L C 2.682 179.346 176.870 -0.343 0.000 1.085 465 L CA 1.012 55.750 54.840 -0.169 0.000 0.755 465 L CB -0.639 41.370 42.059 -0.082 0.000 0.904 465 L HN 0.487 nan 8.230 nan 0.000 0.435 466 C N -0.200 118.753 119.300 -0.578 0.000 2.446 466 C HA -0.126 4.336 4.460 0.003 0.000 0.277 466 C C 2.742 177.525 174.990 -0.344 0.000 1.275 466 C CA 0.456 58.989 59.018 -0.809 0.000 1.727 466 C CB -0.679 26.712 27.740 -0.583 0.000 2.010 466 C HN 0.426 nan 8.230 nan 0.000 0.486 467 L N 0.888 122.002 121.223 -0.181 0.000 2.093 467 L HA -0.128 4.214 4.340 0.003 0.000 0.208 467 L C 2.848 179.704 176.870 -0.023 0.000 1.085 467 L CA 1.457 56.257 54.840 -0.066 0.000 0.755 467 L CB -0.665 41.387 42.059 -0.011 0.000 0.904 467 L HN 0.337 nan 8.230 nan 0.000 0.435 468 A N -0.353 122.459 122.820 -0.014 0.000 1.902 468 A HA -0.293 4.029 4.320 0.003 0.000 0.217 468 A C 2.207 179.821 177.584 0.051 0.000 1.181 468 A CA 1.966 54.027 52.037 0.039 0.000 0.623 468 A CB -0.505 18.536 19.000 0.067 0.000 0.818 468 A HN 0.426 nan 8.150 nan 0.000 0.443 469 Q N -0.331 119.500 119.800 0.051 0.000 2.046 469 Q HA -0.002 4.339 4.340 0.003 0.000 0.200 469 Q C 2.068 178.105 176.000 0.061 0.000 0.975 469 Q CA 2.063 57.933 55.803 0.111 0.000 0.836 469 Q CB -0.510 28.389 28.738 0.268 0.000 0.896 469 Q HN 0.542 nan 8.270 nan 0.000 0.428 470 A N 0.408 123.235 122.820 0.012 0.000 1.933 470 A HA -0.081 4.241 4.320 0.003 0.000 0.218 470 A C 2.300 179.892 177.584 0.014 0.000 1.175 470 A CA 1.779 53.819 52.037 0.006 0.000 0.628 470 A CB -1.196 17.793 19.000 -0.019 0.000 0.814 470 A HN 0.549 nan 8.150 nan 0.000 0.444 471 A N -0.086 122.746 122.820 0.019 0.000 1.933 471 A HA -0.177 4.144 4.320 0.003 0.000 0.218 471 A C 1.912 179.512 177.584 0.026 0.000 1.175 471 A CA 1.656 53.708 52.037 0.025 0.000 0.628 471 A CB -0.493 18.526 19.000 0.033 0.000 0.814 471 A HN 0.657 nan 8.150 nan 0.000 0.444 472 E N -0.268 119.952 120.200 0.033 0.000 2.107 472 E HA -0.056 4.296 4.350 0.003 0.000 0.191 472 E C 1.890 178.504 176.600 0.023 0.000 0.982 472 E CA 0.827 57.246 56.400 0.032 0.000 0.809 472 E CB -0.231 29.495 29.700 0.044 0.000 0.756 472 E HN 0.610 nan 8.360 nan 0.000 0.459 473 L N 0.466 121.702 121.223 0.021 0.000 2.093 473 L HA -0.125 4.216 4.340 0.003 0.000 0.208 473 L C 2.628 179.500 176.870 0.003 0.000 1.085 473 L CA 0.848 55.693 54.840 0.007 0.000 0.755 473 L CB -0.127 41.933 42.059 0.002 0.000 0.904 473 L HN 0.013 nan 8.230 nan 0.000 0.435 474 R N -0.229 120.275 120.500 0.007 0.000 2.066 474 R HA -0.035 4.306 4.340 0.003 0.000 0.224 474 R C 1.777 178.082 176.300 0.007 0.000 1.122 474 R CA 1.581 57.684 56.100 0.005 0.000 0.974 474 R CB -0.379 29.925 30.300 0.006 0.000 0.871 474 R HN 0.334 nan 8.270 nan 0.000 0.435 475 C N 0.349 119.655 119.300 0.011 0.000 2.974 475 C HA 0.647 5.109 4.460 0.003 0.000 0.282 475 C C 0.616 175.614 174.990 0.013 0.000 1.292 475 C CA -0.362 58.663 59.018 0.012 0.000 1.710 475 C CB -0.820 26.929 27.740 0.015 0.000 2.036 475 C HN 0.745 nan 8.230 nan 0.000 0.629 476 G N 1.758 110.566 108.800 0.014 0.000 2.787 476 G HA2 -0.161 3.800 3.960 0.003 0.000 0.685 476 G HA3 -0.161 3.800 3.960 0.003 0.000 0.685 476 G C 0.738 175.650 174.900 0.019 0.000 1.437 476 G CA 0.077 45.186 45.100 0.015 0.000 0.872 476 G HN 0.800 nan 8.290 nan 0.000 0.566 477 S N -0.576 115.136 115.700 0.020 0.000 2.419 477 S HA 0.018 4.490 4.470 0.003 0.000 0.235 477 S C 2.442 177.056 174.600 0.023 0.000 1.019 477 S CA 1.921 60.136 58.200 0.024 0.000 0.982 477 S CB -0.280 62.934 63.200 0.022 0.000 0.789 477 S HN 2.177 nan 8.310 nan 0.000 0.490 478 G N 0.946 109.757 108.800 0.019 0.000 2.650 478 G HA2 0.302 4.263 3.960 0.003 0.000 0.214 478 G HA3 0.302 4.263 3.960 0.003 0.000 0.214 478 G C 0.596 175.507 174.900 0.019 0.000 1.136 478 G CA 0.118 45.228 45.100 0.017 0.000 0.789 478 G HN 0.643 nan 8.290 nan 0.000 0.536 479 L N 0.393 121.628 121.223 0.020 0.000 3.597 479 L HA -0.173 4.169 4.340 0.003 0.000 0.440 479 L C 0.049 176.929 176.870 0.017 0.000 1.277 479 L CA 0.089 54.941 54.840 0.021 0.000 0.852 479 L CB -1.989 40.085 42.059 0.025 0.000 1.708 479 L HN 0.338 nan 8.230 nan 0.000 0.885 480 D N 0.647 121.056 120.400 0.014 0.000 2.487 480 D HA 0.376 5.018 4.640 0.003 0.000 0.243 480 D C 1.405 177.711 176.300 0.010 0.000 1.154 480 D CA 1.649 55.656 54.000 0.011 0.000 0.876 480 D CB 0.723 41.529 40.800 0.010 0.000 1.161 480 D HN 0.462 nan 8.370 nan 0.000 0.478 481 G N 2.239 111.045 108.800 0.009 0.000 2.199 481 G HA2 -0.258 3.704 3.960 0.003 0.000 0.254 481 G HA3 -0.258 3.704 3.960 0.003 0.000 0.254 481 G C 0.372 175.278 174.900 0.009 0.000 0.982 481 G CA 0.154 45.258 45.100 0.007 0.000 0.632 481 G HN 0.623 nan 8.290 nan 0.000 0.529 482 V N 2.570 122.492 119.914 0.014 0.000 2.686 482 V HA 0.502 4.623 4.120 0.003 0.000 0.295 482 V C 1.471 177.576 176.094 0.018 0.000 1.055 482 V CA 0.138 62.449 62.300 0.019 0.000 1.050 482 V CB 1.379 33.216 31.823 0.023 0.000 0.984 482 V HN 1.051 nan 8.190 nan 0.000 0.482 483 S N 5.134 120.848 115.700 0.022 0.000 2.569 483 S HA 0.123 4.594 4.470 0.003 0.000 0.274 483 S C -1.709 172.901 174.600 0.017 0.000 1.353 483 S CA -0.602 57.610 58.200 0.021 0.000 1.023 483 S CB 0.455 63.672 63.200 0.029 0.000 0.876 483 S HN 0.581 nan 8.310 nan 0.000 0.540 484 P HA -0.030 nan 4.420 nan 0.000 0.216 484 P C 1.574 178.878 177.300 0.007 0.000 1.150 484 P CA 1.869 64.974 63.100 0.010 0.000 0.837 484 P CB -0.222 31.482 31.700 0.006 0.000 0.786 485 A N -0.293 122.529 122.820 0.004 0.000 1.898 485 A HA -0.029 4.292 4.320 0.003 0.000 0.216 485 A C 2.469 180.053 177.584 0.001 0.000 1.181 485 A CA 1.932 53.965 52.037 -0.007 0.000 0.620 485 A CB -1.833 17.158 19.000 -0.014 0.000 0.819 485 A HN 0.264 nan 8.150 nan 0.000 0.442 486 G N -0.237 108.573 108.800 0.016 0.000 2.418 486 G HA2 -0.218 3.744 3.960 0.003 0.000 0.217 486 G HA3 -0.218 3.744 3.960 0.003 0.000 0.217 486 G C 1.684 176.604 174.900 0.033 0.000 1.158 486 G CA 1.064 46.181 45.100 0.029 0.000 0.771 486 G HN 0.548 nan 8.290 nan 0.000 0.545 487 K N 0.235 120.651 120.400 0.027 0.000 2.026 487 K HA -0.075 4.247 4.320 0.003 0.000 0.208 487 K C 2.456 179.075 176.600 0.032 0.000 1.048 487 K CA 1.310 57.614 56.287 0.029 0.000 0.929 487 K CB -0.167 32.347 32.500 0.023 0.000 0.713 487 K HN 0.255 nan 8.250 nan 0.000 0.439 488 K N 1.450 121.864 120.400 0.023 0.000 2.103 488 K HA -0.140 4.182 4.320 0.003 0.000 0.207 488 K C 2.183 178.806 176.600 0.038 0.000 1.048 488 K CA 0.956 57.257 56.287 0.024 0.000 0.930 488 K CB -0.086 32.419 32.500 0.008 0.000 0.716 488 K HN 0.100 nan 8.250 nan 0.000 0.444 489 L N 0.597 121.842 121.223 0.036 0.000 2.027 489 L HA -0.166 4.176 4.340 0.003 0.000 0.206 489 L C 2.066 179.006 176.870 0.115 0.000 1.074 489 L CA 1.104 55.986 54.840 0.069 0.000 0.745 489 L CB -0.146 41.941 42.059 0.047 0.000 0.898 489 L HN 0.011 nan 8.230 nan 0.000 0.433 490 V N -0.018 119.951 119.914 0.092 0.000 2.343 490 V HA -0.303 3.819 4.120 0.003 0.000 0.247 490 V C 2.473 178.623 176.094 0.093 0.000 1.051 490 V CA 2.018 64.375 62.300 0.096 0.000 1.036 490 V CB -0.679 31.187 31.823 0.072 0.000 0.654 490 V HN 0.556 nan 8.190 nan 0.000 0.451 491 Q N -0.010 119.833 119.800 0.072 0.000 2.084 491 Q HA -0.162 4.180 4.340 0.003 0.000 0.202 491 Q C 2.443 178.485 176.000 0.069 0.000 0.978 491 Q CA 1.728 57.567 55.803 0.060 0.000 0.844 491 Q CB -0.442 28.322 28.738 0.043 0.000 0.898 491 Q HN 0.671 nan 8.270 nan 0.000 0.426 492 A N 1.100 123.970 122.820 0.084 0.000 1.877 492 A HA -0.166 4.156 4.320 0.003 0.000 0.216 492 A C 2.105 179.760 177.584 0.119 0.000 1.186 492 A CA 1.140 53.233 52.037 0.093 0.000 0.620 492 A CB -0.722 18.350 19.000 0.121 0.000 0.822 492 A HN 0.278 nan 8.150 nan 0.000 0.443 493 L N -1.075 120.252 121.223 0.175 0.000 2.017 493 L HA -0.165 4.177 4.340 0.003 0.000 0.208 493 L C 2.629 179.639 176.870 0.233 0.000 1.073 493 L CA 1.047 56.040 54.840 0.255 0.000 0.745 493 L CB -0.457 41.740 42.059 0.230 0.000 0.894 493 L HN 0.253 nan 8.230 nan 0.000 0.432 494 R N 0.513 121.102 120.500 0.148 0.000 2.341 494 R HA -0.126 4.216 4.340 0.003 0.000 0.213 494 R C 1.800 178.123 176.300 0.039 0.000 1.082 494 R CA 0.741 56.904 56.100 0.104 0.000 1.017 494 R CB -0.444 29.904 30.300 0.081 0.000 0.860 494 R HN 0.581 nan 8.270 nan 0.000 0.473 495 E N -0.119 120.089 120.200 0.014 0.000 2.216 495 E HA -0.113 4.239 4.350 0.003 0.000 0.192 495 E C 1.327 177.852 176.600 -0.125 0.000 0.988 495 E CA 0.630 57.006 56.400 -0.040 0.000 0.834 495 E CB 0.251 29.930 29.700 -0.034 0.000 0.772 495 E HN 0.217 nan 8.360 nan 0.000 0.479 496 Q N -0.969 118.698 119.800 -0.221 0.000 2.288 496 Q HA 0.157 4.499 4.340 0.003 0.000 0.256 496 Q C -0.352 175.193 176.000 -0.759 0.000 0.835 496 Q CA 0.305 55.787 55.803 -0.535 0.000 0.958 496 Q CB 0.876 29.140 28.738 -0.791 0.000 1.125 496 Q HN 0.117 nan 8.270 nan 0.000 0.513 497 F N 2.102 122.047 119.950 -0.007 0.000 2.434 497 F HA 0.434 4.964 4.527 0.004 0.000 0.355 497 F C -2.141 173.675 175.800 0.026 0.000 1.115 497 F CA -2.654 55.352 58.000 0.010 0.000 1.010 497 F CB 1.368 40.378 39.000 0.017 0.000 1.234 497 F HN -0.206 nan 8.300 nan 0.000 0.439 498 P HA 0.129 nan 4.420 nan 0.000 0.272 498 P C -2.340 175.034 177.300 0.124 0.000 1.230 498 P CA -0.905 62.253 63.100 0.096 0.000 0.788 498 P CB 0.036 31.768 31.700 0.053 0.000 0.949 499 P HA 0.057 nan 4.420 nan 0.000 0.272 499 P C -0.723 176.626 177.300 0.082 0.000 1.240 499 P CA -0.115 63.050 63.100 0.108 0.000 0.791 499 P CB 0.503 32.251 31.700 0.081 0.000 0.978 500 L N 1.936 123.209 121.223 0.083 0.000 2.352 500 L HA 0.155 4.497 4.340 0.003 0.000 0.272 500 L C 1.244 178.116 176.870 0.003 0.000 1.109 500 L CA 0.417 55.253 54.840 -0.007 0.000 0.952 500 L CB -0.628 41.338 42.059 -0.155 0.000 1.314 500 L HN 0.294 nan 8.230 nan 0.000 0.427 501 E N 1.083 121.288 120.200 0.009 0.000 2.299 501 E HA 0.040 4.391 4.350 0.003 0.000 0.193 501 E C 0.210 176.818 176.600 0.013 0.000 0.998 501 E CA 0.379 56.788 56.400 0.015 0.000 0.851 501 E CB 0.371 30.081 29.700 0.017 0.000 0.795 501 E HN 0.546 nan 8.360 nan 0.000 0.492 502 T N 0.569 115.119 114.554 -0.005 0.000 2.982 502 T HA 0.100 4.452 4.350 0.003 0.000 0.321 502 T C -1.769 172.907 174.700 -0.040 0.000 1.229 502 T CA -0.978 61.117 62.100 -0.007 0.000 1.044 502 T CB 1.353 70.220 68.868 -0.002 0.000 1.184 502 T HN -0.215 nan 8.240 nan 0.000 0.477 503 D N 3.146 123.518 120.400 -0.047 0.000 2.571 503 D HA 0.277 4.919 4.640 0.003 0.000 0.231 503 D C 0.647 176.905 176.300 -0.070 0.000 1.133 503 D CA 0.848 54.800 54.000 -0.081 0.000 0.862 503 D CB 0.325 41.083 40.800 -0.069 0.000 1.179 503 D HN 0.721 nan 8.370 nan 0.000 0.474 504 R N 0.406 120.852 120.500 -0.089 0.000 2.716 504 R HA 0.619 4.960 4.340 0.003 0.000 0.271 504 R C -3.145 173.120 176.300 -0.059 0.000 1.028 504 R CA -1.686 54.379 56.100 -0.059 0.000 0.883 504 R CB 0.245 30.520 30.300 -0.041 0.000 1.250 504 R HN 0.002 nan 8.270 nan 0.000 0.465 505 P HA 0.134 nan 4.420 nan 0.000 0.267 505 P C -0.282 177.012 177.300 -0.009 0.000 1.209 505 P CA -0.215 62.872 63.100 -0.022 0.000 0.763 505 P CB 0.581 32.275 31.700 -0.010 0.000 0.816 506 L N 1.728 122.947 121.223 -0.007 0.000 2.638 506 L HA 0.160 4.502 4.340 0.003 0.000 0.232 506 L C 2.335 179.222 176.870 0.028 0.000 1.099 506 L CA 0.425 55.277 54.840 0.019 0.000 0.883 506 L CB -0.387 41.688 42.059 0.025 0.000 1.136 506 L HN 0.533 nan 8.230 nan 0.000 0.492 507 G N 0.421 109.232 108.800 0.018 0.000 2.529 507 G HA2 -0.324 3.638 3.960 0.003 0.000 0.219 507 G HA3 -0.324 3.638 3.960 0.003 0.000 0.219 507 G C 1.393 176.308 174.900 0.025 0.000 1.177 507 G CA 0.844 45.955 45.100 0.018 0.000 0.773 507 G HN 0.396 nan 8.290 nan 0.000 0.573 508 Q N -0.121 119.700 119.800 0.035 0.000 2.167 508 Q HA -0.068 4.274 4.340 0.003 0.000 0.202 508 Q C 2.506 178.558 176.000 0.086 0.000 0.970 508 Q CA 1.274 57.106 55.803 0.049 0.000 0.855 508 Q CB -0.099 28.665 28.738 0.044 0.000 0.911 508 Q HN 0.635 nan 8.270 nan 0.000 0.438 509 E N 0.645 120.912 120.200 0.111 0.000 2.072 509 E HA -0.130 4.221 4.350 0.003 0.000 0.190 509 E C 1.970 178.573 176.600 0.006 0.000 0.982 509 E CA 0.703 57.223 56.400 0.200 0.000 0.803 509 E CB -0.002 29.835 29.700 0.229 0.000 0.755 509 E HN 0.324 nan 8.360 nan 0.000 0.453 510 I N 1.161 121.711 120.570 -0.035 0.000 2.163 510 I HA -0.300 3.872 4.170 0.003 0.000 0.243 510 I C 2.541 178.619 176.117 -0.066 0.000 1.085 510 I CA 1.059 62.307 61.300 -0.087 0.000 1.347 510 I CB -0.328 37.649 38.000 -0.037 0.000 1.044 510 I HN 0.103 nan 8.210 nan 0.000 0.408 511 A N 0.696 123.509 122.820 -0.012 0.000 1.877 511 A HA -0.157 4.164 4.320 0.003 0.000 0.216 511 A C 2.546 180.140 177.584 0.018 0.000 1.186 511 A CA 1.881 53.918 52.037 0.001 0.000 0.620 511 A CB -0.861 18.149 19.000 0.017 0.000 0.822 511 A HN 0.436 nan 8.150 nan 0.000 0.443 512 A N -0.654 122.206 122.820 0.066 0.000 1.902 512 A HA -0.022 4.299 4.320 0.003 0.000 0.217 512 A C 2.130 179.793 177.584 0.131 0.000 1.181 512 A CA 1.753 53.864 52.037 0.123 0.000 0.623 512 A CB -0.591 18.536 19.000 0.212 0.000 0.818 512 A HN 0.656 nan 8.150 nan 0.000 0.443 513 L N -0.254 120.997 121.223 0.046 0.000 2.056 513 L HA 0.006 4.348 4.340 0.003 0.000 0.207 513 L C 2.658 179.447 176.870 -0.134 0.000 1.078 513 L CA 2.046 56.828 54.840 -0.097 0.000 0.749 513 L CB -0.902 40.850 42.059 -0.513 0.000 0.901 513 L HN 0.341 nan 8.230 nan 0.000 0.433 514 A N -1.517 121.216 122.820 -0.144 0.000 1.908 514 A HA -0.234 4.088 4.320 0.003 0.000 0.218 514 A C 2.265 179.787 177.584 -0.104 0.000 1.181 514 A CA 2.365 54.306 52.037 -0.159 0.000 0.627 514 A CB -1.242 17.695 19.000 -0.106 0.000 0.818 514 A HN 0.507 nan 8.150 nan 0.000 0.445 515 T N -1.459 113.079 114.554 -0.027 0.000 2.788 515 T HA -0.167 4.184 4.350 0.003 0.000 0.268 515 T C 1.854 176.567 174.700 0.022 0.000 1.044 515 T CA 1.919 64.025 62.100 0.010 0.000 1.139 515 T CB -0.379 68.513 68.868 0.040 0.000 0.867 515 T HN 0.808 nan 8.240 nan 0.000 0.454 516 H N 1.164 120.195 119.070 -0.064 0.000 2.326 516 H HA 0.124 4.681 4.556 0.003 0.000 0.301 516 H C 2.013 177.279 175.328 -0.104 0.000 1.081 516 H CA 1.196 57.214 56.048 -0.050 0.000 1.334 516 H CB -0.520 29.238 29.762 -0.007 0.000 1.385 516 H HN 0.235 nan 8.280 nan 0.000 0.504 517 L N -0.009 121.024 121.223 -0.315 0.000 2.127 517 L HA -0.191 4.151 4.340 0.003 0.000 0.211 517 L C 2.360 179.079 176.870 -0.252 0.000 1.089 517 L CA 1.105 55.623 54.840 -0.535 0.000 0.757 517 L CB -0.573 40.968 42.059 -0.863 0.000 0.899 517 L HN 0.325 nan 8.230 nan 0.000 0.434 518 L N -0.709 120.403 121.223 -0.184 0.000 2.275 518 L HA -0.169 4.172 4.340 0.003 0.000 0.215 518 L C 2.243 179.080 176.870 -0.056 0.000 1.119 518 L CA 1.053 55.849 54.840 -0.073 0.000 0.790 518 L CB -0.226 41.822 42.059 -0.018 0.000 0.919 518 L HN 0.395 nan 8.230 nan 0.000 0.443 519 Q N -1.604 118.078 119.800 -0.196 0.000 2.280 519 Q HA 0.202 4.543 4.340 0.003 0.000 0.228 519 Q C 0.022 175.602 176.000 -0.701 0.000 0.857 519 Q CA 0.050 55.701 55.803 -0.252 0.000 0.939 519 Q CB 0.999 29.703 28.738 -0.057 0.000 1.114 519 Q HN 0.432 nan 8.270 nan 0.000 0.514 520 Q N -0.034 119.308 119.800 -0.763 0.000 2.379 520 Q HA 0.472 4.814 4.340 0.003 0.000 0.278 520 Q C -1.284 174.577 176.000 -0.232 0.000 1.068 520 Q CA -0.416 55.011 55.803 -0.626 0.000 0.816 520 Q CB 2.720 31.212 28.738 -0.409 0.000 1.387 520 Q HN -0.049 nan 8.270 nan 0.000 0.413 521 S N 1.401 117.039 115.700 -0.103 0.000 2.690 521 S HA 0.568 5.040 4.470 0.003 0.000 0.291 521 S C -2.479 171.883 174.600 -0.397 0.000 1.138 521 S CA -1.250 56.828 58.200 -0.203 0.000 1.013 521 S CB 0.955 64.109 63.200 -0.078 0.000 1.053 521 S HN 0.358 nan 8.310 nan 0.000 0.539 522 P HA 0.377 nan 4.420 nan 0.000 0.273 522 P C -1.154 175.949 177.300 -0.329 0.000 1.428 522 P CA -0.004 62.693 63.100 -0.672 0.000 0.995 522 P CB 0.202 31.284 31.700 -1.030 0.000 1.286 523 V N 0.000 119.810 119.914 -0.173 0.000 2.409 523 V HA 0.000 4.122 4.120 0.003 0.000 0.244 523 V CA 0.000 62.236 62.300 -0.106 0.000 1.235 523 V CB 0.000 31.777 31.823 -0.077 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556