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 2w55_1_H DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK QSQGNHLAIA CAVAARATGR DATA SEQUENCE PCKMRYDRDD DMVITGKRHD FRIRYRIGAD ASGKLLGADF VHLARCGWSA DATA SEQUENCE DLSLPVCDRA MLHADGSYFV PALRIESHRL RTNTQSNTAF RGFGGPQGAL DATA SEQUENCE GMERAIEHLA RGMGRDPAEL RALNFYDPPE XXXXXXXXXX XXXXXXKKTQ DATA SEQUENCE TTHYGQEVAD CVLGELVTRL QKSANFTTRR AEIAAWNSTN RTLARGIALS DATA SEQUENCE PVKFGISFTL THLNQAGALV QIYTDGSVAL NHGGTEMGQG LHAKMVQVAA DATA SEQUENCE AVLGIDPVQV RITATDTSKV PNTSATAASS GADMNGMAVK DACETLRGRL DATA SEQUENCE AGFVAAREGC AARDVIFDAG QVQASGKSWR FAEIVAAAYM ARISLSATGF DATA SEQUENCE YATPKLSWDR LRGQGRPFLY FAYGAAITEV VIDRLTGENR ILRTDILHDA DATA SEQUENCE GASLNPALDI GQIEGAYVQG AGWLTTEELV WDHCGRLMTH APSTYKIPAF DATA SEQUENCE SDRPRIFNVA LWDQPNREET IFRSKAVGEP PFLLGISAFL ALHDACAACG DATA SEQUENCE PHWPDLQAPA TPEAVLAAVR RAEGRA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.490 174.600 -0.184 0.000 1.055 2 S CA 0.000 58.116 58.200 -0.140 0.000 1.107 2 S CB 0.000 63.108 63.200 -0.153 0.000 0.593 3 V N 3.064 122.799 119.914 -0.300 0.000 2.617 3 V HA 0.381 4.501 4.120 -0.000 0.000 0.304 3 V C 1.526 177.484 176.094 -0.227 0.000 1.040 3 V CA 1.925 64.003 62.300 -0.370 0.000 1.149 3 V CB 0.147 31.488 31.823 -0.803 0.000 0.914 3 V HN 1.196 nan 8.190 nan 0.000 0.487 4 G N 3.987 112.691 108.800 -0.159 0.000 2.175 4 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 4 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 4 G C 0.221 175.076 174.900 -0.074 0.000 0.982 4 G CA -0.190 44.852 45.100 -0.097 0.000 0.641 4 G HN 0.547 nan 8.290 nan 0.000 0.527 5 K N 0.738 121.089 120.400 -0.081 0.000 2.218 5 K HA 0.379 4.699 4.320 -0.000 0.000 0.276 5 K C -2.352 174.219 176.600 -0.049 0.000 1.022 5 K CA -1.650 54.601 56.287 -0.060 0.000 0.946 5 K CB 1.559 34.021 32.500 -0.063 0.000 1.000 5 K HN -0.033 nan 8.250 nan 0.000 0.468 6 P HA 0.125 nan 4.420 nan 0.000 0.246 6 P C -0.237 177.049 177.300 -0.023 0.000 1.686 6 P CA 0.079 63.163 63.100 -0.028 0.000 0.867 6 P CB -0.044 31.642 31.700 -0.023 0.000 1.733 7 L N 1.142 122.348 121.223 -0.029 0.000 2.472 7 L HA 0.268 4.608 4.340 -0.000 0.000 0.260 7 L C -1.495 175.366 176.870 -0.014 0.000 1.209 7 L CA -1.918 52.905 54.840 -0.027 0.000 0.817 7 L CB -0.238 41.797 42.059 -0.040 0.000 1.106 7 L HN -0.004 nan 8.230 nan 0.000 0.479 8 P HA 0.083 nan 4.420 nan 0.000 0.276 8 P C -0.956 176.350 177.300 0.010 0.000 1.261 8 P CA -0.411 62.694 63.100 0.008 0.000 0.800 8 P CB 0.463 32.163 31.700 0.001 0.000 1.066 9 H N 0.355 119.391 119.070 -0.057 0.000 2.871 9 H HA -0.055 4.500 4.556 -0.000 0.000 0.355 9 H C 1.353 176.621 175.328 -0.100 0.000 1.092 9 H CA 1.170 57.170 56.048 -0.080 0.000 1.420 9 H CB 0.056 29.752 29.762 -0.110 0.000 1.400 9 H HN 0.558 nan 8.280 nan 0.000 0.604 10 D N 2.266 122.140 120.400 -0.876 0.000 2.565 10 D HA -0.311 4.328 4.640 -0.000 0.000 0.189 10 D C 0.312 176.341 176.300 -0.452 0.000 1.052 10 D CA 2.698 56.323 54.000 -0.624 0.000 0.889 10 D CB -0.254 40.233 40.800 -0.522 0.000 0.911 10 D HN 0.450 nan 8.370 nan 0.000 0.464 11 S N -2.925 112.435 115.700 -0.566 0.000 2.612 11 S HA 0.732 5.201 4.470 -0.000 0.000 0.203 11 S C 0.834 175.291 174.600 -0.238 0.000 0.965 11 S CA -0.189 57.856 58.200 -0.258 0.000 1.157 11 S CB 0.397 63.523 63.200 -0.122 0.000 1.526 11 S HN 0.440 nan 8.310 nan 0.000 0.423 12 A N 2.591 125.326 122.820 -0.141 0.000 1.902 12 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 12 A C 2.192 179.815 177.584 0.066 0.000 1.181 12 A CA 1.617 53.645 52.037 -0.015 0.000 0.623 12 A CB -0.566 18.454 19.000 0.032 0.000 0.818 12 A HN 0.633 nan 8.150 nan 0.000 0.443 13 R N -0.412 120.108 120.500 0.033 0.000 2.080 13 R HA -0.133 4.207 4.340 -0.000 0.000 0.236 13 R C 2.350 178.701 176.300 0.085 0.000 1.137 13 R CA 1.663 57.794 56.100 0.051 0.000 0.943 13 R CB -0.498 29.816 30.300 0.023 0.000 0.846 13 R HN 0.428 nan 8.270 nan 0.000 0.431 14 A N 0.228 123.097 122.820 0.081 0.000 1.948 14 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 14 A C 1.933 179.645 177.584 0.213 0.000 1.177 14 A CA 1.745 53.850 52.037 0.115 0.000 0.636 14 A CB -0.948 18.108 19.000 0.093 0.000 0.815 14 A HN 0.581 nan 8.150 nan 0.000 0.449 15 H N -1.989 117.132 119.070 0.085 0.000 2.293 15 H HA -0.073 4.483 4.556 -0.000 0.000 0.300 15 H C 2.015 177.403 175.328 0.099 0.000 1.082 15 H CA 1.311 57.429 56.048 0.117 0.000 1.308 15 H CB -0.032 29.821 29.762 0.152 0.000 1.375 15 H HN 0.320 nan 8.280 nan 0.000 0.495 16 V N 1.533 121.580 119.914 0.221 0.000 3.305 16 V HA -0.103 4.017 4.120 -0.000 0.000 0.269 16 V C 1.449 177.604 176.094 0.101 0.000 1.157 16 V CA 1.911 64.296 62.300 0.142 0.000 1.157 16 V CB -0.251 31.640 31.823 0.114 0.000 0.772 16 V HN 0.582 nan 8.190 nan 0.000 0.498 17 T N -4.090 110.523 114.554 0.098 0.000 3.084 17 T HA 0.370 4.720 4.350 -0.000 0.000 0.270 17 T C 1.414 176.153 174.700 0.065 0.000 1.008 17 T CA 0.475 62.616 62.100 0.070 0.000 0.900 17 T CB 0.711 69.612 68.868 0.056 0.000 1.084 17 T HN 0.764 nan 8.240 nan 0.000 0.538 18 G N 2.073 110.921 108.800 0.079 0.000 2.168 18 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.263 18 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.263 18 G C 1.033 175.968 174.900 0.058 0.000 0.977 18 G CA 0.546 45.688 45.100 0.072 0.000 0.659 18 G HN 0.500 nan 8.290 nan 0.000 0.533 19 Q N -0.196 119.637 119.800 0.055 0.000 2.230 19 Q HA 0.205 4.545 4.340 -0.000 0.000 0.202 19 Q C 1.876 177.883 176.000 0.012 0.000 0.963 19 Q CA 1.088 56.911 55.803 0.033 0.000 0.866 19 Q CB -0.176 28.585 28.738 0.038 0.000 0.931 19 Q HN 1.058 nan 8.270 nan 0.000 0.452 20 A N 2.407 125.241 122.820 0.023 0.000 2.477 20 A HA 0.237 4.556 4.320 -0.000 0.000 0.246 20 A C -0.094 177.366 177.584 -0.206 0.000 1.078 20 A CA -0.180 51.808 52.037 -0.081 0.000 0.770 20 A CB 0.008 18.973 19.000 -0.058 0.000 1.011 20 A HN 0.293 nan 8.150 nan 0.000 0.494 21 R N 1.864 122.164 120.500 -0.333 0.000 2.513 21 R HA 0.665 5.005 4.340 -0.000 0.000 0.301 21 R C -1.611 174.446 176.300 -0.406 0.000 0.968 21 R CA -0.587 55.365 56.100 -0.248 0.000 0.872 21 R CB 0.767 30.998 30.300 -0.116 0.000 1.177 21 R HN 0.577 nan 8.270 nan 0.000 0.444 22 Y N 1.088 121.372 120.300 -0.028 0.000 2.654 22 Y HA 0.288 4.837 4.550 -0.000 0.000 0.328 22 Y C 1.504 177.378 175.900 -0.043 0.000 1.174 22 Y CA -1.159 56.921 58.100 -0.032 0.000 1.293 22 Y CB 0.730 39.165 38.460 -0.042 0.000 1.464 22 Y HN 0.478 nan 8.280 nan 0.000 0.559 23 L N 0.411 121.716 121.223 0.137 0.000 2.046 23 L HA -0.190 4.149 4.340 -0.000 0.000 0.208 23 L C 1.888 178.768 176.870 0.017 0.000 1.077 23 L CA 1.993 56.856 54.840 0.040 0.000 0.747 23 L CB -0.281 41.795 42.059 0.027 0.000 0.896 23 L HN 0.760 nan 8.230 nan 0.000 0.432 24 D N -0.720 119.694 120.400 0.024 0.000 2.269 24 D HA -0.181 4.458 4.640 -0.000 0.000 0.208 24 D C 1.299 177.606 176.300 0.013 0.000 0.963 24 D CA 0.961 54.962 54.000 0.002 0.000 0.864 24 D CB 0.113 40.893 40.800 -0.034 0.000 0.936 24 D HN 0.462 nan 8.370 nan 0.000 0.505 25 D N 0.280 120.704 120.400 0.040 0.000 2.178 25 D HA -0.037 4.603 4.640 -0.000 0.000 0.202 25 D C 0.815 177.112 176.300 -0.005 0.000 0.974 25 D CA 0.221 54.240 54.000 0.032 0.000 0.841 25 D CB -0.004 40.834 40.800 0.064 0.000 0.953 25 D HN 0.310 nan 8.370 nan 0.000 0.478 26 L N 2.097 123.302 121.223 -0.029 0.000 2.490 26 L HA 0.137 4.476 4.340 -0.000 0.000 0.274 26 L C -1.838 175.000 176.870 -0.053 0.000 1.201 26 L CA -1.406 53.391 54.840 -0.071 0.000 0.869 26 L CB -0.076 41.897 42.059 -0.143 0.000 1.123 26 L HN -0.115 nan 8.230 nan 0.000 0.484 27 P HA 0.342 nan 4.420 nan 0.000 0.276 27 P C -1.102 176.171 177.300 -0.044 0.000 1.244 27 P CA -0.571 62.508 63.100 -0.035 0.000 0.801 27 P CB 1.035 32.716 31.700 -0.031 0.000 1.006 28 C N -1.153 118.133 119.300 -0.023 0.000 3.292 28 C HA 0.520 4.980 4.460 -0.000 0.000 0.338 28 C C -2.896 172.087 174.990 -0.011 0.000 1.323 28 C CA -1.951 57.053 59.018 -0.023 0.000 1.232 28 C CB -0.208 27.515 27.740 -0.028 0.000 1.517 28 C HN 0.388 nan 8.230 nan 0.000 0.470 29 P HA 0.218 nan 4.420 nan 0.000 0.261 29 P C 0.684 177.981 177.300 -0.004 0.000 1.158 29 P CA 0.984 64.080 63.100 -0.007 0.000 0.758 29 P CB 0.293 31.988 31.700 -0.010 0.000 0.763 30 A N 3.208 126.030 122.820 0.003 0.000 2.215 30 A HA -0.095 4.225 4.320 -0.000 0.000 0.208 30 A C 1.241 178.831 177.584 0.010 0.000 1.296 30 A CA 0.604 52.648 52.037 0.012 0.000 0.918 30 A CB -1.052 17.956 19.000 0.014 0.000 0.806 30 A HN 0.683 nan 8.150 nan 0.000 0.490 31 N N -1.505 117.194 118.700 -0.002 0.000 2.171 31 N HA -0.011 4.729 4.740 -0.000 0.000 0.212 31 N C -0.355 175.135 175.510 -0.033 0.000 1.184 31 N CA 0.244 53.290 53.050 -0.007 0.000 0.888 31 N CB -0.652 37.833 38.487 -0.003 0.000 1.038 31 N HN 0.024 nan 8.380 nan 0.000 0.517 32 T N 2.554 117.074 114.554 -0.056 0.000 2.849 32 T HA 0.087 4.436 4.350 -0.000 0.000 0.289 32 T C 0.570 175.119 174.700 -0.252 0.000 1.010 32 T CA 0.258 62.276 62.100 -0.137 0.000 1.161 32 T CB 0.481 69.263 68.868 -0.143 0.000 0.989 32 T HN 0.136 nan 8.240 nan 0.000 0.523 33 L N 3.466 124.534 121.223 -0.259 0.000 2.387 33 L HA 0.524 4.864 4.340 -0.000 0.000 0.266 33 L C 0.605 177.189 176.870 -0.475 0.000 1.059 33 L CA -1.126 53.565 54.840 -0.248 0.000 0.801 33 L CB 0.768 42.790 42.059 -0.063 0.000 1.223 33 L HN 0.617 nan 8.230 nan 0.000 0.456 34 H N 1.683 120.783 119.070 0.050 0.000 2.572 34 H HA 0.587 5.143 4.556 -0.000 0.000 0.359 34 H C -0.970 174.378 175.328 0.033 0.000 1.134 34 H CA -0.599 55.483 56.048 0.057 0.000 1.187 34 H CB 2.219 32.044 29.762 0.104 0.000 1.597 34 H HN 0.311 nan 8.280 nan 0.000 0.524 35 L N 1.269 122.566 121.223 0.124 0.000 2.342 35 L HA 0.810 5.149 4.340 -0.000 0.000 0.271 35 L C -0.087 176.754 176.870 -0.048 0.000 1.008 35 L CA -1.081 53.770 54.840 0.018 0.000 0.818 35 L CB 1.970 43.998 42.059 -0.052 0.000 1.296 35 L HN 0.572 nan 8.230 nan 0.000 0.427 36 A N 1.863 124.628 122.820 -0.092 0.000 2.455 36 A HA 0.719 5.038 4.320 -0.000 0.000 0.300 36 A C -1.217 176.295 177.584 -0.121 0.000 1.040 36 A CA -0.417 51.554 52.037 -0.110 0.000 0.697 36 A CB 0.997 19.936 19.000 -0.102 0.000 1.265 36 A HN 0.555 nan 8.150 nan 0.000 0.407 37 F N 1.338 121.283 119.950 -0.007 0.000 2.443 37 F HA 0.433 4.960 4.527 -0.000 0.000 0.353 37 F C 1.465 177.046 175.800 -0.365 0.000 1.101 37 F CA 0.207 58.120 58.000 -0.145 0.000 1.226 37 F CB 1.411 40.376 39.000 -0.060 0.000 1.140 37 F HN 0.678 nan 8.300 nan 0.000 0.557 38 G N 5.463 113.899 108.800 -0.607 0.000 2.338 38 G HA2 0.491 4.450 3.960 -0.000 0.000 0.295 38 G HA3 0.491 4.450 3.960 -0.000 0.000 0.295 38 G C -0.670 173.918 174.900 -0.520 0.000 1.132 38 G CA -0.566 43.907 45.100 -1.046 0.000 0.922 38 G HN 0.493 nan 8.290 nan 0.000 0.427 39 L N 1.555 122.629 121.223 -0.249 0.000 2.375 39 L HA 0.474 4.813 4.340 -0.000 0.000 0.268 39 L C 0.975 177.765 176.870 -0.134 0.000 1.058 39 L CA -0.861 53.849 54.840 -0.216 0.000 0.803 39 L CB 1.820 43.746 42.059 -0.221 0.000 1.212 39 L HN 0.540 nan 8.230 nan 0.000 0.451 40 S N -0.325 115.243 115.700 -0.219 0.000 2.545 40 S HA 0.166 4.636 4.470 -0.000 0.000 0.275 40 S C 0.620 175.057 174.600 -0.272 0.000 1.299 40 S CA -0.485 57.617 58.200 -0.162 0.000 1.048 40 S CB 0.692 63.728 63.200 -0.274 0.000 0.938 40 S HN 0.703 nan 8.310 nan 0.000 0.496 41 T N 1.552 115.930 114.554 -0.294 0.000 3.264 41 T HA 0.421 4.770 4.350 -0.000 0.000 0.257 41 T C -0.268 174.137 174.700 -0.492 0.000 0.976 41 T CA -0.515 61.388 62.100 -0.328 0.000 0.908 41 T CB -0.213 68.540 68.868 -0.192 0.000 1.082 41 T HN 0.539 nan 8.240 nan 0.000 0.567 42 E N 0.029 119.879 120.200 -0.583 0.000 2.340 42 E HA 0.636 4.985 4.350 -0.000 0.000 0.273 42 E C 0.249 176.642 176.600 -0.346 0.000 0.891 42 E CA -0.679 55.410 56.400 -0.519 0.000 0.757 42 E CB 2.132 31.381 29.700 -0.753 0.000 1.231 42 E HN 0.144 nan 8.360 nan 0.000 0.439 43 A N 1.429 124.112 122.820 -0.228 0.000 1.984 43 A HA 0.078 4.397 4.320 -0.000 0.000 0.214 43 A C 0.843 178.369 177.584 -0.096 0.000 1.173 43 A CA 0.773 52.731 52.037 -0.131 0.000 0.673 43 A CB 0.420 19.375 19.000 -0.075 0.000 0.830 43 A HN 0.272 nan 8.150 nan 0.000 0.453 44 S N -1.245 114.384 115.700 -0.119 0.000 2.653 44 S HA 0.616 5.086 4.470 -0.000 0.000 0.268 44 S C -0.929 173.608 174.600 -0.104 0.000 1.153 44 S CA 0.278 58.419 58.200 -0.099 0.000 1.036 44 S CB 0.518 63.697 63.200 -0.035 0.000 1.103 44 S HN 1.520 nan 8.310 nan 0.000 0.466 45 A N 2.988 125.737 122.820 -0.117 0.000 2.605 45 A HA 0.891 5.211 4.320 -0.000 0.000 0.294 45 A C -0.643 176.929 177.584 -0.020 0.000 1.062 45 A CA -0.269 51.744 52.037 -0.040 0.000 0.682 45 A CB 1.054 20.055 19.000 0.001 0.000 1.278 45 A HN 1.649 nan 8.150 nan 0.000 0.410 46 A N 1.377 124.208 122.820 0.018 0.000 2.276 46 A HA 0.629 4.949 4.320 -0.000 0.000 0.300 46 A C -0.121 177.486 177.584 0.039 0.000 1.235 46 A CA -0.349 51.698 52.037 0.016 0.000 0.867 46 A CB -0.425 18.581 19.000 0.011 0.000 1.137 46 A HN 0.772 nan 8.150 nan 0.000 0.527 47 I N 3.453 124.033 120.570 0.016 0.000 2.494 47 I HA 0.079 4.249 4.170 -0.000 0.000 0.289 47 I C 1.303 177.382 176.117 -0.063 0.000 1.106 47 I CA 0.222 61.486 61.300 -0.059 0.000 1.369 47 I CB 0.500 38.457 38.000 -0.072 0.000 1.410 47 I HN 0.810 nan 8.210 nan 0.000 0.523 48 T N 0.986 115.491 114.554 -0.082 0.000 3.001 48 T HA 0.283 4.633 4.350 -0.000 0.000 0.251 48 T C 0.714 175.368 174.700 -0.076 0.000 1.040 48 T CA -0.078 61.988 62.100 -0.057 0.000 0.985 48 T CB 0.538 69.385 68.868 -0.033 0.000 1.011 48 T HN 0.670 nan 8.240 nan 0.000 0.509 49 G N 1.110 109.836 108.800 -0.123 0.000 2.741 49 G HA2 0.578 4.538 3.960 -0.000 0.000 0.293 49 G HA3 0.578 4.538 3.960 -0.000 0.000 0.293 49 G C -1.964 172.834 174.900 -0.169 0.000 1.457 49 G CA -0.728 44.299 45.100 -0.123 0.000 1.098 49 G HN 0.302 nan 8.290 nan 0.000 0.536 50 L N 1.990 123.130 121.223 -0.139 0.000 2.490 50 L HA 0.542 4.882 4.340 -0.000 0.000 0.256 50 L C -1.238 175.540 176.870 -0.154 0.000 1.089 50 L CA -0.702 54.043 54.840 -0.158 0.000 0.916 50 L CB 1.568 43.550 42.059 -0.128 0.000 1.188 50 L HN 0.449 nan 8.230 nan 0.000 0.476 51 D N 3.423 123.729 120.400 -0.157 0.000 2.280 51 D HA 0.372 5.012 4.640 -0.000 0.000 0.243 51 D C 0.004 176.182 176.300 -0.203 0.000 1.129 51 D CA 0.074 53.984 54.000 -0.148 0.000 0.848 51 D CB 1.057 41.790 40.800 -0.111 0.000 1.107 51 D HN 0.592 nan 8.370 nan 0.000 0.471 52 L N 3.591 124.681 121.223 -0.222 0.000 3.141 52 L HA 0.276 4.616 4.340 -0.000 0.000 0.267 52 L C 1.282 178.035 176.870 -0.196 0.000 1.281 52 L CA -0.232 54.430 54.840 -0.296 0.000 1.037 52 L CB 0.477 42.292 42.059 -0.407 0.000 1.407 52 L HN 0.353 nan 8.230 nan 0.000 0.566 53 E N 1.673 121.789 120.200 -0.140 0.000 2.028 53 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 53 E C -0.847 175.702 176.600 -0.085 0.000 0.984 53 E CA 1.213 57.553 56.400 -0.100 0.000 0.800 53 E CB -0.436 29.218 29.700 -0.077 0.000 0.758 53 E HN 0.238 nan 8.360 nan 0.000 0.448 54 P HA -0.035 nan 4.420 nan 0.000 0.242 54 P C 0.755 178.025 177.300 -0.050 0.000 1.197 54 P CA 0.529 63.597 63.100 -0.054 0.000 0.765 54 P CB 0.256 31.929 31.700 -0.044 0.000 0.936 55 V N 0.216 120.082 119.914 -0.080 0.000 2.346 55 V HA -0.131 3.989 4.120 -0.000 0.000 0.244 55 V C 2.468 178.535 176.094 -0.044 0.000 1.037 55 V CA 1.519 63.784 62.300 -0.058 0.000 1.029 55 V CB -0.904 30.838 31.823 -0.135 0.000 0.663 55 V HN 0.073 nan 8.190 nan 0.000 0.454 56 R N 0.278 120.734 120.500 -0.074 0.000 2.092 56 R HA -0.141 4.198 4.340 -0.000 0.000 0.231 56 R C 2.242 178.516 176.300 -0.044 0.000 1.119 56 R CA 1.424 57.485 56.100 -0.065 0.000 0.970 56 R CB -0.308 29.941 30.300 -0.085 0.000 0.864 56 R HN 0.489 nan 8.270 nan 0.000 0.440 57 E N 1.072 121.247 120.200 -0.042 0.000 2.265 57 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 57 E C 0.465 177.054 176.600 -0.019 0.000 0.996 57 E CA 0.478 56.861 56.400 -0.030 0.000 0.832 57 E CB 0.070 29.751 29.700 -0.031 0.000 0.756 57 E HN 0.049 nan 8.360 nan 0.000 0.491 58 S N 1.455 117.146 115.700 -0.015 0.000 2.537 58 S HA 0.039 4.508 4.470 -0.000 0.000 0.286 58 S C -2.287 172.313 174.600 -0.001 0.000 1.299 58 S CA -1.616 56.582 58.200 -0.003 0.000 1.067 58 S CB 0.408 63.612 63.200 0.006 0.000 0.864 58 S HN -0.070 nan 8.310 nan 0.000 0.494 59 P HA 0.176 nan 4.420 nan 0.000 0.268 59 P C 1.033 178.339 177.300 0.011 0.000 1.208 59 P CA 0.839 63.942 63.100 0.005 0.000 0.777 59 P CB 0.033 31.737 31.700 0.007 0.000 0.875 60 G N 0.421 109.229 108.800 0.013 0.000 2.196 60 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.268 60 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.268 60 G C 0.155 175.069 174.900 0.023 0.000 0.975 60 G CA 0.253 45.366 45.100 0.022 0.000 0.648 60 G HN 0.552 nan 8.290 nan 0.000 0.538 61 V N 1.759 121.681 119.914 0.013 0.000 2.637 61 V HA 0.317 4.436 4.120 -0.000 0.000 0.296 61 V C 1.572 177.664 176.094 -0.003 0.000 1.046 61 V CA 0.148 62.453 62.300 0.009 0.000 1.066 61 V CB 1.415 33.238 31.823 -0.000 0.000 0.968 61 V HN 0.197 nan 8.190 nan 0.000 0.483 62 I N 2.577 123.145 120.570 -0.003 0.000 3.883 62 I HA 0.429 4.599 4.170 -0.000 0.000 0.305 62 I C 0.759 176.848 176.117 -0.047 0.000 1.247 62 I CA 0.781 62.077 61.300 -0.008 0.000 1.350 62 I CB 0.344 38.355 38.000 0.019 0.000 1.194 62 I HN 0.709 nan 8.210 nan 0.000 0.441 63 A N 0.339 123.100 122.820 -0.099 0.000 2.605 63 A HA 0.698 5.018 4.320 -0.000 0.000 0.294 63 A C -1.543 175.776 177.584 -0.441 0.000 1.062 63 A CA -0.360 51.500 52.037 -0.296 0.000 0.682 63 A CB 1.794 20.601 19.000 -0.322 0.000 1.278 63 A HN -0.196 nan 8.150 nan 0.000 0.410 64 V N 1.141 120.669 119.914 -0.644 0.000 2.623 64 V HA 0.589 4.708 4.120 -0.000 0.000 0.304 64 V C -1.513 174.268 176.094 -0.521 0.000 1.054 64 V CA -0.257 61.789 62.300 -0.423 0.000 0.882 64 V CB 1.467 33.184 31.823 -0.178 0.000 1.002 64 V HN 0.711 nan 8.190 nan 0.000 0.424 65 F N 2.160 122.212 119.950 0.170 0.000 2.467 65 F HA 0.602 5.128 4.527 -0.000 0.000 0.336 65 F C 0.915 176.835 175.800 0.199 0.000 1.123 65 F CA -0.517 57.577 58.000 0.156 0.000 0.964 65 F CB 2.026 41.115 39.000 0.148 0.000 1.136 65 F HN 0.411 nan 8.300 nan 0.000 0.447 66 T N 0.872 115.605 114.554 0.298 0.000 2.824 66 T HA 0.361 4.711 4.350 -0.000 0.000 0.277 66 T C 1.291 176.126 174.700 0.226 0.000 0.975 66 T CA -0.118 62.119 62.100 0.228 0.000 0.966 66 T CB 1.460 70.405 68.868 0.128 0.000 1.054 66 T HN 0.685 nan 8.240 nan 0.000 0.533 67 A N 0.344 123.268 122.820 0.175 0.000 1.930 67 A HA 0.184 4.504 4.320 -0.000 0.000 0.217 67 A C 2.407 180.060 177.584 0.114 0.000 1.175 67 A CA 1.439 53.562 52.037 0.143 0.000 0.627 67 A CB -1.199 17.878 19.000 0.127 0.000 0.815 67 A HN 0.893 nan 8.150 nan 0.000 0.443 68 A N -0.457 122.424 122.820 0.101 0.000 2.121 68 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 68 A C 1.459 179.093 177.584 0.083 0.000 1.154 68 A CA 1.472 53.554 52.037 0.075 0.000 0.679 68 A CB -0.314 18.720 19.000 0.058 0.000 0.795 68 A HN 0.430 nan 8.150 nan 0.000 0.458 69 D N -0.253 120.223 120.400 0.128 0.000 2.355 69 D HA 0.106 4.746 4.640 -0.000 0.000 0.218 69 D C 0.409 176.793 176.300 0.140 0.000 1.004 69 D CA 0.178 54.277 54.000 0.165 0.000 0.880 69 D CB 0.002 40.970 40.800 0.281 0.000 0.911 69 D HN 0.377 nan 8.370 nan 0.000 0.528 70 L N 1.797 123.080 121.223 0.099 0.000 2.416 70 L HA 0.103 4.442 4.340 -0.000 0.000 0.272 70 L C -1.022 175.865 176.870 0.027 0.000 1.161 70 L CA -1.113 53.760 54.840 0.055 0.000 0.845 70 L CB 0.501 42.596 42.059 0.061 0.000 1.119 70 L HN -0.187 nan 8.230 nan 0.000 0.464 71 P HA 0.048 nan 4.420 nan 0.000 0.226 71 P C -0.062 177.042 177.300 -0.326 0.000 1.161 71 P CA 1.152 64.216 63.100 -0.061 0.000 0.804 71 P CB 0.468 32.237 31.700 0.116 0.000 0.829 72 H N -2.055 117.025 119.070 0.016 0.000 4.382 72 H HA 0.276 4.832 4.556 -0.000 0.000 0.429 72 H C -0.561 174.789 175.328 0.037 0.000 1.194 72 H CA -0.623 55.438 56.048 0.022 0.000 0.703 72 H CB -0.870 28.898 29.762 0.010 0.000 1.005 72 H HN -0.327 nan 8.280 nan 0.000 0.764 73 D N 1.492 122.021 120.400 0.214 0.000 2.356 73 D HA 0.035 4.675 4.640 -0.000 0.000 0.272 73 D C -0.249 176.109 176.300 0.096 0.000 1.337 73 D CA 0.152 54.240 54.000 0.147 0.000 0.970 73 D CB -0.193 40.721 40.800 0.190 0.000 1.092 73 D HN 0.262 nan 8.370 nan 0.000 0.516 74 N N 2.956 121.703 118.700 0.079 0.000 3.050 74 N HA 0.065 4.805 4.740 -0.000 0.000 0.289 74 N C -1.432 174.107 175.510 0.048 0.000 1.209 74 N CA -0.172 52.915 53.050 0.062 0.000 1.154 74 N CB -0.089 38.445 38.487 0.077 0.000 1.444 74 N HN 0.213 nan 8.380 nan 0.000 0.529 75 D N 0.404 120.815 120.400 0.018 0.000 2.937 75 D HA 0.479 5.119 4.640 -0.000 0.000 0.215 75 D C -1.291 174.979 176.300 -0.051 0.000 1.274 75 D CA -0.520 53.480 54.000 -0.000 0.000 0.869 75 D CB 1.353 42.167 40.800 0.024 0.000 1.675 75 D HN 0.169 nan 8.370 nan 0.000 0.538 76 A N 2.342 125.118 122.820 -0.074 0.000 2.573 76 A HA 0.387 4.706 4.320 -0.000 0.000 0.269 76 A C -0.081 177.511 177.584 0.014 0.000 0.901 76 A CA -0.351 51.631 52.037 -0.092 0.000 1.066 76 A CB 0.275 19.067 19.000 -0.347 0.000 1.221 76 A HN 0.255 nan 8.150 nan 0.000 0.483 77 S N 0.976 116.670 115.700 -0.009 0.000 2.578 77 S HA 0.550 5.020 4.470 -0.000 0.000 0.283 77 S C -1.558 173.012 174.600 -0.050 0.000 1.195 77 S CA -1.428 56.759 58.200 -0.022 0.000 1.050 77 S CB 1.041 64.207 63.200 -0.057 0.000 1.012 77 S HN 0.282 nan 8.310 nan 0.000 0.511 78 P HA 0.179 nan 4.420 nan 0.000 0.236 78 P C -0.113 177.162 177.300 -0.042 0.000 1.177 78 P CA 0.210 63.280 63.100 -0.049 0.000 0.773 78 P CB -0.029 31.676 31.700 0.007 0.000 0.878 79 A N 1.723 124.514 122.820 -0.049 0.000 2.304 79 A HA 0.461 4.781 4.320 -0.000 0.000 0.301 79 A C -1.212 176.353 177.584 -0.032 0.000 1.132 79 A CA -1.598 50.414 52.037 -0.042 0.000 0.819 79 A CB 0.157 19.114 19.000 -0.071 0.000 1.094 79 A HN -0.069 nan 8.150 nan 0.000 0.492 80 P HA -0.109 nan 4.420 nan 0.000 0.219 80 P C 0.777 178.080 177.300 0.005 0.000 1.146 80 P CA 1.075 64.178 63.100 0.004 0.000 0.808 80 P CB -0.086 31.624 31.700 0.016 0.000 0.779 81 S N 1.670 117.369 115.700 -0.000 0.000 2.571 81 S HA 0.119 4.589 4.470 -0.000 0.000 0.297 81 S C -2.169 172.414 174.600 -0.028 0.000 1.234 81 S CA -1.060 57.141 58.200 0.001 0.000 1.120 81 S CB -0.530 62.679 63.200 0.015 0.000 0.923 81 S HN -0.035 nan 8.310 nan 0.000 0.504 82 P HA 0.334 nan 4.420 nan 0.000 0.276 82 P C -0.928 176.331 177.300 -0.067 0.000 1.252 82 P CA -0.386 62.700 63.100 -0.023 0.000 0.802 82 P CB 0.450 32.156 31.700 0.009 0.000 1.035 83 E N 0.842 121.018 120.200 -0.041 0.000 2.361 83 E HA 0.323 4.673 4.350 -0.000 0.000 0.270 83 E C -2.746 173.913 176.600 0.098 0.000 0.911 83 E CA -2.467 53.906 56.400 -0.046 0.000 0.818 83 E CB 1.202 30.856 29.700 -0.076 0.000 1.332 83 E HN 0.203 nan 8.360 nan 0.000 0.402 84 P HA -0.040 nan 4.420 nan 0.000 0.268 84 P C 0.766 178.201 177.300 0.226 0.000 1.204 84 P CA -0.182 63.032 63.100 0.190 0.000 0.768 84 P CB 1.074 32.918 31.700 0.240 0.000 0.842 85 V N 3.283 123.224 119.914 0.044 0.000 2.270 85 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 85 V C 1.214 177.373 176.094 0.107 0.000 1.043 85 V CA 1.513 63.768 62.300 -0.074 0.000 1.014 85 V CB -0.888 30.861 31.823 -0.124 0.000 0.645 85 V HN 0.385 nan 8.190 nan 0.000 0.447 86 L N 0.305 121.598 121.223 0.115 0.000 2.325 86 L HA 0.690 5.029 4.340 -0.000 0.000 0.278 86 L C 0.319 177.274 176.870 0.142 0.000 1.023 86 L CA -0.721 54.188 54.840 0.115 0.000 0.811 86 L CB 1.367 43.527 42.059 0.169 0.000 1.249 86 L HN 0.212 nan 8.230 nan 0.000 0.431 87 A N 1.197 124.089 122.820 0.120 0.000 2.531 87 A HA 0.302 4.622 4.320 -0.000 0.000 0.236 87 A C 0.516 178.185 177.584 0.141 0.000 1.062 87 A CA 0.033 52.155 52.037 0.143 0.000 0.760 87 A CB -0.128 18.919 19.000 0.079 0.000 0.995 87 A HN 0.733 nan 8.150 nan 0.000 0.501 88 T N 0.386 115.038 114.554 0.164 0.000 3.145 88 T HA 0.502 4.851 4.350 -0.000 0.000 0.362 88 T C 1.099 175.865 174.700 0.110 0.000 1.340 88 T CA 0.297 62.476 62.100 0.132 0.000 1.069 88 T CB 0.128 69.078 68.868 0.138 0.000 1.129 88 T HN 2.325 nan 8.240 nan 0.000 0.585 89 G N 2.514 111.360 108.800 0.076 0.000 2.205 89 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.269 89 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.269 89 G C -0.138 174.782 174.900 0.035 0.000 0.977 89 G CA 0.802 45.930 45.100 0.046 0.000 0.652 89 G HN 1.157 nan 8.290 nan 0.000 0.539 90 E N -1.844 118.381 120.200 0.042 0.000 2.407 90 E HA 0.632 4.981 4.350 -0.000 0.000 0.279 90 E C -0.674 175.857 176.600 -0.114 0.000 1.012 90 E CA -0.797 55.580 56.400 -0.037 0.000 0.800 90 E CB 2.125 31.782 29.700 -0.072 0.000 1.276 90 E HN 0.948 nan 8.360 nan 0.000 0.452 91 V N -0.976 118.789 119.914 -0.249 0.000 2.680 91 V HA 0.499 4.619 4.120 -0.000 0.000 0.309 91 V C -0.244 175.582 176.094 -0.447 0.000 1.052 91 V CA -0.630 61.498 62.300 -0.287 0.000 0.908 91 V CB 1.532 33.241 31.823 -0.189 0.000 1.001 91 V HN 0.906 nan 8.190 nan 0.000 0.431 92 H N 4.088 123.069 119.070 -0.148 0.000 2.923 92 H HA 0.423 4.978 4.556 -0.000 0.000 0.268 92 H C -0.411 174.939 175.328 0.036 0.000 1.148 92 H CA 0.521 56.593 56.048 0.040 0.000 1.146 92 H CB 0.967 30.991 29.762 0.436 0.000 1.607 92 H HN 0.812 nan 8.280 nan 0.000 0.566 93 F N -2.008 117.737 119.950 -0.341 0.000 2.746 93 F HA 0.352 4.879 4.527 -0.000 0.000 0.311 93 F C -1.824 173.805 175.800 -0.285 0.000 1.135 93 F CA -1.357 56.466 58.000 -0.295 0.000 0.954 93 F CB 0.640 39.423 39.000 -0.362 0.000 1.276 93 F HN -0.330 nan 8.300 nan 0.000 0.440 94 V N 3.359 123.124 119.914 -0.248 0.000 2.421 94 V HA 0.479 4.599 4.120 -0.000 0.000 0.271 94 V C 0.938 176.772 176.094 -0.433 0.000 1.031 94 V CA 1.133 63.230 62.300 -0.338 0.000 1.032 94 V CB -0.060 31.676 31.823 -0.145 0.000 1.009 94 V HN 1.618 nan 8.190 nan 0.000 0.477 95 G N 3.646 112.031 108.800 -0.692 0.000 2.151 95 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.140 95 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.140 95 G C 0.024 174.318 174.900 -1.010 0.000 1.020 95 G CA -0.087 44.649 45.100 -0.608 0.000 0.688 95 G HN 0.649 nan 8.290 nan 0.000 0.500 96 Q N 1.005 119.913 119.800 -1.487 0.000 2.295 96 Q HA 0.416 4.756 4.340 -0.000 0.000 0.259 96 Q C -2.365 173.318 176.000 -0.529 0.000 0.976 96 Q CA -1.921 53.221 55.803 -1.101 0.000 0.923 96 Q CB 1.063 29.139 28.738 -1.104 0.000 1.185 96 Q HN 0.120 nan 8.270 nan 0.000 0.410 97 P HA -0.056 nan 4.420 nan 0.000 0.261 97 P C -0.324 176.847 177.300 -0.214 0.000 1.203 97 P CA 0.747 63.576 63.100 -0.452 0.000 0.767 97 P CB 0.427 31.538 31.700 -0.982 0.000 0.785 98 I N 3.559 124.058 120.570 -0.117 0.000 2.556 98 I HA 0.061 4.231 4.170 -0.000 0.000 0.251 98 I C 0.989 177.233 176.117 0.210 0.000 1.105 98 I CA 0.809 62.151 61.300 0.070 0.000 1.436 98 I CB -0.087 38.013 38.000 0.167 0.000 1.139 98 I HN 0.254 nan 8.210 nan 0.000 0.438 99 F N 0.009 120.033 119.950 0.122 0.000 2.691 99 F HA 0.800 5.326 4.527 -0.000 0.000 0.334 99 F C -1.172 174.827 175.800 0.331 0.000 1.107 99 F CA -1.504 56.611 58.000 0.192 0.000 0.991 99 F CB 1.325 40.395 39.000 0.118 0.000 1.400 99 F HN -0.267 nan 8.300 nan 0.000 0.503 100 L N 1.758 123.292 121.223 0.519 0.000 2.431 100 L HA 0.798 5.137 4.340 -0.000 0.000 0.266 100 L C -1.700 175.430 176.870 0.433 0.000 0.978 100 L CA -0.698 54.392 54.840 0.416 0.000 0.822 100 L CB 2.244 44.577 42.059 0.456 0.000 1.310 100 L HN 0.631 nan 8.230 nan 0.000 0.409 101 V N 3.664 123.737 119.914 0.265 0.000 2.459 101 V HA 0.887 5.007 4.120 -0.000 0.000 0.295 101 V C 0.126 176.314 176.094 0.157 0.000 1.029 101 V CA -0.383 62.037 62.300 0.199 0.000 0.874 101 V CB 1.332 33.259 31.823 0.174 0.000 0.985 101 V HN 0.956 nan 8.190 nan 0.000 0.438 102 A N 3.606 126.507 122.820 0.136 0.000 2.288 102 A HA 0.963 5.283 4.320 -0.000 0.000 0.320 102 A C -0.026 177.601 177.584 0.072 0.000 1.217 102 A CA -0.070 52.047 52.037 0.132 0.000 0.840 102 A CB 1.116 20.242 19.000 0.210 0.000 1.179 102 A HN 1.444 nan 8.150 nan 0.000 0.504 103 A N 1.222 124.089 122.820 0.078 0.000 2.532 103 A HA 0.720 5.040 4.320 -0.000 0.000 0.290 103 A C 1.009 178.649 177.584 0.093 0.000 1.143 103 A CA 0.228 52.307 52.037 0.070 0.000 0.728 103 A CB 0.267 19.305 19.000 0.063 0.000 1.317 103 A HN 1.441 nan 8.150 nan 0.000 0.414 104 T N -1.251 113.354 114.554 0.084 0.000 2.962 104 T HA 0.116 4.466 4.350 -0.000 0.000 0.270 104 T C 0.835 175.650 174.700 0.192 0.000 1.088 104 T CA 1.466 63.626 62.100 0.099 0.000 1.127 104 T CB -0.648 68.259 68.868 0.065 0.000 0.883 104 T HN 1.469 nan 8.240 nan 0.000 0.493 105 S N -0.677 115.139 115.700 0.194 0.000 2.632 105 S HA 0.439 4.909 4.470 -0.000 0.000 0.289 105 S C 0.532 175.211 174.600 0.132 0.000 1.115 105 S CA -0.884 57.430 58.200 0.190 0.000 0.889 105 S CB 1.686 64.931 63.200 0.075 0.000 1.116 105 S HN 0.264 nan 8.310 nan 0.000 0.486 106 H N 1.292 120.243 119.070 -0.199 0.000 2.307 106 H HA 0.033 4.589 4.556 -0.000 0.000 0.303 106 H C 1.816 177.117 175.328 -0.046 0.000 1.073 106 H CA 1.481 57.437 56.048 -0.154 0.000 1.338 106 H CB -0.154 29.419 29.762 -0.316 0.000 1.389 106 H HN 0.515 nan 8.280 nan 0.000 0.503 107 R N 0.668 121.174 120.500 0.010 0.000 2.133 107 R HA -0.174 4.166 4.340 -0.000 0.000 0.245 107 R C 2.499 178.765 176.300 -0.057 0.000 1.137 107 R CA 1.386 57.477 56.100 -0.015 0.000 0.947 107 R CB -1.144 29.176 30.300 0.033 0.000 0.865 107 R HN 0.466 nan 8.270 nan 0.000 0.437 108 A N 0.846 123.653 122.820 -0.021 0.000 1.892 108 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 108 A C 2.424 179.995 177.584 -0.022 0.000 1.188 108 A CA 2.372 54.406 52.037 -0.005 0.000 0.631 108 A CB -0.740 18.274 19.000 0.024 0.000 0.822 108 A HN 0.447 nan 8.150 nan 0.000 0.447 109 A N -0.901 121.891 122.820 -0.047 0.000 1.902 109 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 109 A C 2.260 179.799 177.584 -0.074 0.000 1.181 109 A CA 1.420 53.431 52.037 -0.043 0.000 0.623 109 A CB -0.460 18.517 19.000 -0.039 0.000 0.818 109 A HN 0.458 nan 8.150 nan 0.000 0.443 110 R N -0.564 119.832 120.500 -0.173 0.000 2.096 110 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 110 R C 2.009 178.283 176.300 -0.043 0.000 1.127 110 R CA 1.400 57.419 56.100 -0.135 0.000 0.968 110 R CB -0.580 29.602 30.300 -0.197 0.000 0.861 110 R HN 0.625 nan 8.270 nan 0.000 0.440 111 I N 0.451 121.003 120.570 -0.030 0.000 2.252 111 I HA -0.238 3.931 4.170 -0.000 0.000 0.245 111 I C 2.552 178.686 176.117 0.028 0.000 1.102 111 I CA 1.189 62.490 61.300 0.003 0.000 1.385 111 I CB -0.393 37.609 38.000 0.002 0.000 1.064 111 I HN 0.112 nan 8.210 nan 0.000 0.414 112 A N 0.778 123.620 122.820 0.036 0.000 1.933 112 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 112 A C 2.558 180.227 177.584 0.142 0.000 1.175 112 A CA 1.770 53.848 52.037 0.069 0.000 0.628 112 A CB -0.829 18.211 19.000 0.067 0.000 0.814 112 A HN 0.436 nan 8.150 nan 0.000 0.444 113 A N 0.121 123.032 122.820 0.151 0.000 1.917 113 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 113 A C 2.143 179.868 177.584 0.235 0.000 1.182 113 A CA 1.752 53.918 52.037 0.215 0.000 0.633 113 A CB -0.479 18.540 19.000 0.032 0.000 0.819 113 A HN 0.487 nan 8.150 nan 0.000 0.448 114 R N 0.083 120.656 120.500 0.121 0.000 2.148 114 R HA -0.015 4.325 4.340 -0.000 0.000 0.223 114 R C 1.209 177.564 176.300 0.092 0.000 1.088 114 R CA 1.095 57.251 56.100 0.093 0.000 0.985 114 R CB -0.487 29.842 30.300 0.048 0.000 0.880 114 R HN 0.585 nan 8.270 nan 0.000 0.451 115 K N 1.091 121.542 120.400 0.085 0.000 2.525 115 K HA 0.167 4.487 4.320 -0.000 0.000 0.192 115 K C 0.570 177.176 176.600 0.010 0.000 1.029 115 K CA 0.090 56.400 56.287 0.039 0.000 1.029 115 K CB 0.267 32.779 32.500 0.020 0.000 0.814 115 K HN 0.044 nan 8.250 nan 0.000 0.503 116 A N 1.958 124.803 122.820 0.043 0.000 2.407 116 A HA 0.201 4.521 4.320 -0.000 0.000 0.248 116 A C -0.231 177.332 177.584 -0.035 0.000 1.082 116 A CA -0.187 51.814 52.037 -0.060 0.000 0.785 116 A CB 0.293 19.274 19.000 -0.031 0.000 1.020 116 A HN 0.240 nan 8.150 nan 0.000 0.489 117 R N 1.828 122.273 120.500 -0.093 0.000 2.320 117 R HA 0.552 4.891 4.340 -0.000 0.000 0.319 117 R C -1.547 174.680 176.300 -0.122 0.000 0.969 117 R CA -0.195 55.861 56.100 -0.074 0.000 0.857 117 R CB 0.607 30.867 30.300 -0.067 0.000 1.160 117 R HN 0.730 nan 8.270 nan 0.000 0.491 118 I N 3.154 123.641 120.570 -0.139 0.000 2.418 118 I HA 0.238 4.407 4.170 -0.000 0.000 0.287 118 I C 0.090 175.963 176.117 -0.406 0.000 1.008 118 I CA -0.835 60.268 61.300 -0.328 0.000 1.104 118 I CB 2.256 39.971 38.000 -0.476 0.000 1.264 118 I HN 0.491 nan 8.210 nan 0.000 0.438 119 T N 2.349 116.691 114.554 -0.354 0.000 2.781 119 T HA 0.523 4.873 4.350 -0.000 0.000 0.305 119 T C -0.668 173.882 174.700 -0.251 0.000 1.001 119 T CA -0.555 61.417 62.100 -0.213 0.000 0.950 119 T CB -0.047 68.761 68.868 -0.099 0.000 0.955 119 T HN 0.226 nan 8.240 nan 0.000 0.471 120 Y N 1.694 121.976 120.300 -0.030 0.000 2.310 120 Y HA 0.550 5.100 4.550 -0.000 0.000 0.326 120 Y C 0.699 176.579 175.900 -0.033 0.000 1.151 120 Y CA -1.444 56.633 58.100 -0.038 0.000 1.195 120 Y CB 1.096 39.525 38.460 -0.052 0.000 1.210 120 Y HN 0.849 nan 8.280 nan 0.000 0.483 121 A N 5.257 128.145 122.820 0.114 0.000 2.736 121 A HA 0.510 4.829 4.320 -0.000 0.000 0.335 121 A C -2.717 174.896 177.584 0.048 0.000 1.446 121 A CA -1.743 50.330 52.037 0.060 0.000 1.028 121 A CB -0.642 18.375 19.000 0.029 0.000 1.154 121 A HN 0.420 nan 8.150 nan 0.000 0.507 122 P HA 0.485 nan 4.420 nan 0.000 0.278 122 P C -0.356 176.940 177.300 -0.007 0.000 1.238 122 P CA -0.201 62.899 63.100 -0.001 0.000 0.794 122 P CB 0.877 32.561 31.700 -0.027 0.000 0.955 123 R N 1.933 122.423 120.500 -0.018 0.000 2.919 123 R HA 0.634 4.974 4.340 -0.000 0.000 0.260 123 R C -2.370 173.921 176.300 -0.014 0.000 1.067 123 R CA -2.228 53.865 56.100 -0.011 0.000 1.003 123 R CB -0.563 29.733 30.300 -0.006 0.000 1.192 123 R HN 0.274 nan 8.270 nan 0.000 0.488 124 P HA -0.020 nan 4.420 nan 0.000 0.266 124 P C -1.267 176.030 177.300 -0.005 0.000 1.186 124 P CA 0.320 63.417 63.100 -0.005 0.000 0.767 124 P CB 0.492 32.193 31.700 0.001 0.000 0.820 125 A N 3.020 125.836 122.820 -0.008 0.000 2.356 125 A HA 0.554 4.874 4.320 -0.000 0.000 0.310 125 A C -0.574 177.007 177.584 -0.004 0.000 1.075 125 A CA -0.648 51.386 52.037 -0.005 0.000 0.746 125 A CB 0.396 19.384 19.000 -0.019 0.000 1.221 125 A HN 0.398 nan 8.150 nan 0.000 0.443 126 I N 3.131 123.702 120.570 0.002 0.000 2.421 126 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 126 I C 0.806 176.904 176.117 -0.032 0.000 1.089 126 I CA 0.682 61.975 61.300 -0.012 0.000 1.354 126 I CB 0.332 38.326 38.000 -0.010 0.000 1.413 126 I HN 0.713 nan 8.210 nan 0.000 0.513 127 L N 3.029 124.224 121.223 -0.048 0.000 2.586 127 L HA 0.191 4.530 4.340 -0.000 0.000 0.204 127 L C 1.157 177.958 176.870 -0.115 0.000 1.053 127 L CA 0.241 55.028 54.840 -0.089 0.000 0.856 127 L CB 0.080 42.102 42.059 -0.060 0.000 1.192 127 L HN 0.598 nan 8.230 nan 0.000 0.484 128 T N -0.935 113.579 114.554 -0.067 0.000 2.902 128 T HA 0.293 4.643 4.350 -0.000 0.000 0.280 128 T C 1.133 175.794 174.700 -0.065 0.000 0.992 128 T CA -0.429 61.633 62.100 -0.062 0.000 1.015 128 T CB 1.323 70.175 68.868 -0.026 0.000 1.044 128 T HN -0.028 nan 8.240 nan 0.000 0.520 129 L N 2.063 123.248 121.223 -0.064 0.000 1.989 129 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 129 L C 2.650 179.485 176.870 -0.059 0.000 1.071 129 L CA 1.833 56.634 54.840 -0.065 0.000 0.749 129 L CB -0.613 41.409 42.059 -0.061 0.000 0.890 129 L HN 0.721 nan 8.230 nan 0.000 0.431 130 D N -0.833 119.540 120.400 -0.046 0.000 2.190 130 D HA -0.221 4.419 4.640 -0.000 0.000 0.200 130 D C 2.195 178.472 176.300 -0.039 0.000 0.992 130 D CA 1.163 55.138 54.000 -0.042 0.000 0.854 130 D CB 0.038 40.823 40.800 -0.026 0.000 0.936 130 D HN 0.512 nan 8.370 nan 0.000 0.462 131 Q N 0.324 120.104 119.800 -0.034 0.000 1.990 131 Q HA -0.062 4.277 4.340 -0.000 0.000 0.200 131 Q C 2.374 178.353 176.000 -0.035 0.000 0.980 131 Q CA 1.215 57.001 55.803 -0.029 0.000 0.832 131 Q CB -0.156 28.567 28.738 -0.025 0.000 0.897 131 Q HN 0.179 nan 8.270 nan 0.000 0.427 132 A N 0.827 123.622 122.820 -0.042 0.000 1.927 132 A HA -0.244 4.075 4.320 -0.000 0.000 0.220 132 A C 2.023 179.580 177.584 -0.046 0.000 1.185 132 A CA 1.525 53.536 52.037 -0.044 0.000 0.639 132 A CB -0.797 18.176 19.000 -0.046 0.000 0.820 132 A HN 0.338 nan 8.150 nan 0.000 0.451 133 L N -0.578 120.610 121.223 -0.058 0.000 1.988 133 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 133 L C 2.861 179.699 176.870 -0.053 0.000 1.071 133 L CA 2.310 57.105 54.840 -0.075 0.000 0.744 133 L CB -1.000 40.990 42.059 -0.116 0.000 0.893 133 L HN 0.362 nan 8.230 nan 0.000 0.433 134 A N -1.013 121.781 122.820 -0.045 0.000 1.972 134 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 134 A C 2.172 179.742 177.584 -0.023 0.000 1.169 134 A CA 1.617 53.635 52.037 -0.031 0.000 0.635 134 A CB -0.909 18.076 19.000 -0.025 0.000 0.810 134 A HN 0.503 nan 8.150 nan 0.000 0.446 135 A N -1.898 120.907 122.820 -0.024 0.000 2.275 135 A HA 0.314 4.634 4.320 -0.000 0.000 0.212 135 A C 0.746 178.316 177.584 -0.024 0.000 1.201 135 A CA 0.897 52.922 52.037 -0.020 0.000 0.843 135 A CB -0.160 18.829 19.000 -0.019 0.000 0.873 135 A HN 0.418 nan 8.150 nan 0.000 0.492 136 D N -0.649 119.735 120.400 -0.026 0.000 2.800 136 D HA -0.142 4.498 4.640 -0.000 0.000 0.232 136 D C -0.149 176.125 176.300 -0.044 0.000 1.137 136 D CA 1.102 55.087 54.000 -0.025 0.000 0.718 136 D CB -1.408 39.383 40.800 -0.015 0.000 1.084 136 D HN 0.268 nan 8.370 nan 0.000 0.432 137 S N -0.003 115.664 115.700 -0.055 0.000 2.409 137 S HA 0.492 4.962 4.470 -0.000 0.000 0.308 137 S C 0.144 174.671 174.600 -0.121 0.000 1.080 137 S CA -0.363 57.781 58.200 -0.093 0.000 1.081 137 S CB 0.271 63.427 63.200 -0.073 0.000 1.009 137 S HN 0.424 nan 8.310 nan 0.000 0.502 138 R N 2.265 122.659 120.500 -0.177 0.000 2.734 138 R HA 0.605 4.945 4.340 -0.000 0.000 0.271 138 R C -1.598 174.550 176.300 -0.253 0.000 1.021 138 R CA -0.884 55.133 56.100 -0.139 0.000 0.893 138 R CB 0.513 30.812 30.300 -0.000 0.000 1.244 138 R HN 0.303 nan 8.270 nan 0.000 0.464 139 F N 0.871 120.809 119.950 -0.021 0.000 2.408 139 F HA 0.339 4.866 4.527 -0.001 0.000 0.325 139 F C 0.702 176.488 175.800 -0.024 0.000 1.082 139 F CA 0.121 58.103 58.000 -0.030 0.000 1.032 139 F CB 1.471 40.445 39.000 -0.044 0.000 1.259 139 F HN 0.907 nan 8.300 nan 0.000 0.503 140 E N -0.122 120.199 120.200 0.202 0.000 3.760 140 E HA -0.234 4.116 4.350 -0.000 0.000 0.317 140 E C 0.615 177.247 176.600 0.054 0.000 0.730 140 E CA 0.763 57.225 56.400 0.103 0.000 1.106 140 E CB -1.621 28.127 29.700 0.080 0.000 1.574 140 E HN 1.145 nan 8.360 nan 0.000 0.451 141 G N -0.040 108.783 108.800 0.038 0.000 2.587 141 G HA2 0.252 4.211 3.960 -0.000 0.000 0.274 141 G HA3 0.252 4.211 3.960 -0.000 0.000 0.274 141 G C 0.403 175.313 174.900 0.017 0.000 1.046 141 G CA 0.588 45.697 45.100 0.016 0.000 1.308 141 G HN 1.268 nan 8.290 nan 0.000 0.529 142 G N 1.434 110.246 108.800 0.020 0.000 2.570 142 G HA2 0.407 4.367 3.960 -0.000 0.000 0.686 142 G HA3 0.407 4.367 3.960 -0.000 0.000 0.686 142 G C -1.757 173.124 174.900 -0.031 0.000 1.257 142 G CA -0.044 45.063 45.100 0.012 0.000 0.846 142 G HN 1.106 nan 8.290 nan 0.000 0.627 143 P HA 0.522 nan 4.420 nan 0.000 0.275 143 P C -0.135 177.036 177.300 -0.214 0.000 1.266 143 P CA -0.370 62.520 63.100 -0.349 0.000 0.793 143 P CB 0.967 32.181 31.700 -0.811 0.000 1.074 144 V N 1.489 121.252 119.914 -0.253 0.000 2.427 144 V HA 0.359 4.479 4.120 -0.000 0.000 0.286 144 V C 0.506 176.449 176.094 -0.251 0.000 1.034 144 V CA -0.426 61.748 62.300 -0.209 0.000 0.893 144 V CB 0.990 32.652 31.823 -0.268 0.000 0.982 144 V HN 0.359 nan 8.190 nan 0.000 0.452 145 I N 4.345 124.853 120.570 -0.103 0.000 2.439 145 I HA 0.425 4.595 4.170 -0.000 0.000 0.285 145 I C -1.299 174.972 176.117 0.257 0.000 1.021 145 I CA -0.291 61.005 61.300 -0.007 0.000 1.091 145 I CB 1.679 39.699 38.000 0.034 0.000 1.242 145 I HN 0.526 nan 8.210 nan 0.000 0.439 146 W N 5.512 126.866 121.300 0.090 0.000 2.587 146 W HA 0.751 5.411 4.660 -0.000 0.000 0.324 146 W C -0.319 176.280 176.519 0.134 0.000 1.040 146 W CA -1.662 55.761 57.345 0.130 0.000 1.222 146 W CB 1.726 31.308 29.460 0.203 0.000 1.381 146 W HN 0.381 nan 8.180 nan 0.000 0.483 147 A N 3.756 126.776 122.820 0.333 0.000 2.385 147 A HA 0.613 4.933 4.320 -0.000 0.000 0.290 147 A C -0.665 177.030 177.584 0.185 0.000 1.094 147 A CA -0.872 51.298 52.037 0.222 0.000 0.729 147 A CB 1.317 20.407 19.000 0.149 0.000 1.194 147 A HN 0.492 nan 8.150 nan 0.000 0.442 148 R N 2.523 123.134 120.500 0.185 0.000 2.230 148 R HA 0.506 4.845 4.340 -0.000 0.000 0.337 148 R C 0.731 177.083 176.300 0.087 0.000 1.063 148 R CA 1.247 57.430 56.100 0.139 0.000 0.935 148 R CB 0.141 30.544 30.300 0.171 0.000 1.121 148 R HN 1.968 nan 8.270 nan 0.000 0.486 149 G N 3.300 112.143 108.800 0.071 0.000 2.645 149 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.239 149 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.239 149 G C -0.974 173.954 174.900 0.047 0.000 1.331 149 G CA -0.067 45.063 45.100 0.051 0.000 0.890 149 G HN 0.609 nan 8.290 nan 0.000 0.572 150 D N -0.168 120.252 120.400 0.033 0.000 2.427 150 D HA 0.541 5.180 4.640 -0.000 0.000 0.226 150 D C 1.544 177.853 176.300 0.015 0.000 1.076 150 D CA 0.035 54.052 54.000 0.027 0.000 0.849 150 D CB 1.219 42.033 40.800 0.023 0.000 1.052 150 D HN 0.321 nan 8.370 nan 0.000 0.515 151 V N 3.980 123.903 119.914 0.015 0.000 2.283 151 V HA -0.130 3.990 4.120 -0.000 0.000 0.243 151 V C 2.285 178.374 176.094 -0.009 0.000 1.039 151 V CA 0.967 63.265 62.300 -0.003 0.000 1.016 151 V CB -0.372 31.448 31.823 -0.005 0.000 0.650 151 V HN 0.540 nan 8.190 nan 0.000 0.449 152 E N 0.604 120.803 120.200 -0.002 0.000 2.169 152 E HA -0.259 4.091 4.350 -0.000 0.000 0.202 152 E C 2.266 178.862 176.600 -0.007 0.000 1.016 152 E CA 2.282 58.679 56.400 -0.004 0.000 0.817 152 E CB -0.543 29.159 29.700 0.003 0.000 0.736 152 E HN 0.650 nan 8.360 nan 0.000 0.462 153 T N 0.945 115.498 114.554 -0.002 0.000 2.732 153 T HA -0.055 4.294 4.350 -0.000 0.000 0.261 153 T C 1.995 176.689 174.700 -0.009 0.000 1.040 153 T CA 1.452 63.550 62.100 -0.003 0.000 1.145 153 T CB -0.298 68.571 68.868 0.003 0.000 0.866 153 T HN 0.306 nan 8.240 nan 0.000 0.427 154 A N 1.656 124.470 122.820 -0.010 0.000 1.873 154 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 154 A C 2.328 179.898 177.584 -0.024 0.000 1.193 154 A CA 1.568 53.596 52.037 -0.016 0.000 0.629 154 A CB -1.095 17.893 19.000 -0.020 0.000 0.826 154 A HN 0.477 nan 8.150 nan 0.000 0.447 155 L N -0.778 120.428 121.223 -0.028 0.000 2.012 155 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 155 L C 3.085 179.936 176.870 -0.033 0.000 1.073 155 L CA 1.196 56.016 54.840 -0.034 0.000 0.748 155 L CB -0.731 41.305 42.059 -0.038 0.000 0.891 155 L HN 0.439 nan 8.230 nan 0.000 0.431 156 A N 0.170 122.974 122.820 -0.027 0.000 1.986 156 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 156 A C 2.138 179.704 177.584 -0.030 0.000 1.171 156 A CA 1.980 54.001 52.037 -0.026 0.000 0.640 156 A CB -0.950 18.039 19.000 -0.018 0.000 0.811 156 A HN 0.500 nan 8.150 nan 0.000 0.451 157 G N -1.749 107.034 108.800 -0.028 0.000 3.324 157 G HA2 0.464 4.424 3.960 -0.000 0.000 0.251 157 G HA3 0.464 4.424 3.960 -0.000 0.000 0.251 157 G C 0.397 175.274 174.900 -0.039 0.000 1.072 157 G CA 0.562 45.643 45.100 -0.031 0.000 0.787 157 G HN 0.736 nan 8.290 nan 0.000 0.537 158 A N 0.470 123.264 122.820 -0.043 0.000 2.409 158 A HA 0.652 4.972 4.320 -0.000 0.000 0.262 158 A C 1.681 179.216 177.584 -0.082 0.000 1.113 158 A CA 0.433 52.442 52.037 -0.046 0.000 0.790 158 A CB 0.797 19.776 19.000 -0.036 0.000 1.046 158 A HN 0.683 nan 8.150 nan 0.000 0.496 159 A N 2.273 125.034 122.820 -0.097 0.000 1.933 159 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 159 A C 0.770 178.078 177.584 -0.460 0.000 1.175 159 A CA 1.554 53.453 52.037 -0.230 0.000 0.628 159 A CB -0.443 18.454 19.000 -0.173 0.000 0.814 159 A HN 0.901 nan 8.150 nan 0.000 0.444 160 H N -2.209 116.828 119.070 -0.055 0.000 2.744 160 H HA 0.640 5.195 4.556 -0.000 0.000 0.339 160 H C -0.962 174.319 175.328 -0.079 0.000 1.004 160 H CA -0.420 55.585 56.048 -0.071 0.000 1.257 160 H CB 1.707 31.422 29.762 -0.078 0.000 1.552 160 H HN 0.309 nan 8.280 nan 0.000 0.522 161 L N 2.538 123.768 121.223 0.012 0.000 2.362 161 L HA 0.910 5.249 4.340 -0.000 0.000 0.271 161 L C -1.153 175.687 176.870 -0.051 0.000 1.002 161 L CA -0.685 54.140 54.840 -0.025 0.000 0.818 161 L CB 1.332 43.368 42.059 -0.039 0.000 1.298 161 L HN 0.759 nan 8.230 nan 0.000 0.420 162 A N 3.912 126.707 122.820 -0.042 0.000 2.427 162 A HA 0.740 5.059 4.320 -0.000 0.000 0.298 162 A C -1.382 176.281 177.584 0.132 0.000 1.036 162 A CA -0.522 51.489 52.037 -0.044 0.000 0.701 162 A CB 1.460 20.355 19.000 -0.175 0.000 1.250 162 A HN 0.756 nan 8.150 nan 0.000 0.412 163 E N 0.684 120.962 120.200 0.130 0.000 2.248 163 E HA 0.666 5.016 4.350 -0.000 0.000 0.267 163 E C -0.009 176.382 176.600 -0.349 0.000 0.877 163 E CA -0.711 55.649 56.400 -0.067 0.000 0.759 163 E CB 2.569 32.215 29.700 -0.091 0.000 1.182 163 E HN 0.953 nan 8.360 nan 0.000 0.418 164 G N 0.073 108.217 108.800 -1.094 0.000 2.721 164 G HA2 0.500 4.459 3.960 -0.000 0.000 0.296 164 G HA3 0.500 4.459 3.960 -0.000 0.000 0.296 164 G C -1.528 172.883 174.900 -0.815 0.000 1.383 164 G CA -0.526 43.886 45.100 -1.146 0.000 0.788 164 G HN 0.579 nan 8.290 nan 0.000 0.500 165 C N 1.011 120.158 119.300 -0.255 0.000 3.238 165 C HA 0.600 5.060 4.460 -0.000 0.000 0.308 165 C C -0.780 174.359 174.990 0.249 0.000 0.971 165 C CA -1.391 57.648 59.018 0.034 0.000 1.207 165 C CB -1.985 25.749 27.740 -0.010 0.000 1.696 165 C HN 0.817 nan 8.230 nan 0.000 0.609 166 F N 2.586 122.642 119.950 0.176 0.000 2.470 166 F HA 0.842 5.369 4.527 -0.000 0.000 0.329 166 F C -0.036 175.860 175.800 0.160 0.000 1.072 166 F CA -0.475 57.640 58.000 0.192 0.000 0.989 166 F CB 0.952 40.115 39.000 0.272 0.000 1.193 166 F HN 0.339 nan 8.300 nan 0.000 0.481 167 E N 3.529 123.635 120.200 -0.156 0.000 2.231 167 E HA 0.460 4.809 4.350 -0.000 0.000 0.277 167 E C -0.962 175.411 176.600 -0.379 0.000 0.999 167 E CA -0.716 55.538 56.400 -0.243 0.000 0.827 167 E CB 2.677 32.351 29.700 -0.042 0.000 1.101 167 E HN 0.613 nan 8.360 nan 0.000 0.393 168 I N 1.399 121.783 120.570 -0.310 0.000 2.410 168 I HA 0.266 4.436 4.170 -0.000 0.000 0.286 168 I C 0.698 176.813 176.117 -0.004 0.000 1.009 168 I CA -0.752 60.407 61.300 -0.235 0.000 1.111 168 I CB 1.763 39.619 38.000 -0.239 0.000 1.262 168 I HN 0.472 nan 8.210 nan 0.000 0.443 169 G N 3.642 112.438 108.800 -0.007 0.000 2.667 169 G HA2 0.431 4.390 3.960 -0.000 0.000 0.250 169 G HA3 0.431 4.390 3.960 -0.000 0.000 0.250 169 G C 0.553 175.648 174.900 0.324 0.000 1.212 169 G CA 0.022 45.207 45.100 0.141 0.000 0.874 169 G HN 0.739 nan 8.290 nan 0.000 0.561 170 G N -1.572 107.446 108.800 0.363 0.000 2.580 170 G HA2 0.478 4.438 3.960 -0.000 0.000 0.225 170 G HA3 0.478 4.438 3.960 -0.000 0.000 0.225 170 G C -0.153 175.002 174.900 0.425 0.000 1.521 170 G CA -0.095 45.240 45.100 0.391 0.000 1.068 170 G HN 0.743 nan 8.290 nan 0.000 0.564 171 Q N -0.947 119.020 119.800 0.279 0.000 2.520 171 Q HA 0.218 4.557 4.340 -0.000 0.000 0.237 171 Q C -1.466 174.676 176.000 0.237 0.000 0.875 171 Q CA -0.549 55.419 55.803 0.275 0.000 1.028 171 Q CB 1.622 30.308 28.738 -0.088 0.000 1.534 171 Q HN 0.608 nan 8.270 nan 0.000 0.471 172 E N 1.513 121.747 120.200 0.056 0.000 2.398 172 E HA 0.045 4.394 4.350 -0.000 0.000 0.263 172 E C -0.108 176.544 176.600 0.086 0.000 1.046 172 E CA 0.622 56.920 56.400 -0.169 0.000 0.908 172 E CB 0.697 29.886 29.700 -0.851 0.000 0.963 172 E HN 0.640 nan 8.360 nan 0.000 0.431 173 H N 3.679 122.648 119.070 -0.168 0.000 2.363 173 H HA 0.039 4.595 4.556 -0.000 0.000 0.301 173 H C 0.105 175.272 175.328 -0.268 0.000 1.074 173 H CA 1.445 57.233 56.048 -0.434 0.000 1.354 173 H CB -0.234 29.049 29.762 -0.799 0.000 1.397 173 H HN 0.699 nan 8.280 nan 0.000 0.516 174 F N 0.698 120.406 119.950 -0.403 0.000 3.067 174 F HA -0.280 4.247 4.527 -0.000 0.000 0.279 174 F C -0.803 174.912 175.800 -0.141 0.000 0.945 174 F CA -0.472 57.380 58.000 -0.246 0.000 0.948 174 F CB -1.649 37.333 39.000 -0.030 0.000 0.898 174 F HN 0.160 nan 8.300 nan 0.000 0.746 175 Y N -0.032 120.356 120.300 0.147 0.000 2.569 175 Y HA 0.218 4.768 4.550 -0.000 0.000 0.332 175 Y C 1.064 176.989 175.900 0.042 0.000 1.120 175 Y CA -1.425 56.814 58.100 0.231 0.000 1.416 175 Y CB -0.044 38.575 38.460 0.266 0.000 1.210 175 Y HN 0.090 nan 8.280 nan 0.000 0.528 176 L N 1.326 122.707 121.223 0.263 0.000 2.051 176 L HA -0.178 4.162 4.340 -0.000 0.000 0.214 176 L C 1.300 178.177 176.870 0.012 0.000 1.076 176 L CA 1.651 56.552 54.840 0.102 0.000 0.758 176 L CB -0.647 41.470 42.059 0.097 0.000 0.890 176 L HN 0.839 nan 8.230 nan 0.000 0.433 177 E N 0.188 120.375 120.200 -0.021 0.000 2.259 177 E HA 0.273 4.623 4.350 -0.000 0.000 0.281 177 E C 0.140 176.717 176.600 -0.039 0.000 1.037 177 E CA -0.164 56.167 56.400 -0.116 0.000 0.854 177 E CB 1.065 30.612 29.700 -0.255 0.000 1.051 177 E HN 0.218 nan 8.360 nan 0.000 0.409 178 G N 3.160 111.946 108.800 -0.023 0.000 2.616 178 G HA2 0.019 3.979 3.960 -0.000 0.000 0.268 178 G HA3 0.019 3.979 3.960 -0.000 0.000 0.268 178 G C -0.171 174.659 174.900 -0.116 0.000 1.213 178 G CA -0.524 44.603 45.100 0.046 0.000 0.926 178 G HN 0.519 nan 8.290 nan 0.000 0.523 179 Q N -0.357 119.397 119.800 -0.076 0.000 2.255 179 Q HA 0.411 4.750 4.340 -0.000 0.000 0.280 179 Q C 0.104 175.921 176.000 -0.305 0.000 1.068 179 Q CA 0.425 56.088 55.803 -0.232 0.000 0.911 179 Q CB 1.066 29.698 28.738 -0.177 0.000 1.157 179 Q HN 0.655 nan 8.270 nan 0.000 0.380 180 A N 1.476 124.156 122.820 -0.232 0.000 2.520 180 A HA 0.877 5.197 4.320 -0.000 0.000 0.298 180 A C -1.476 176.039 177.584 -0.115 0.000 1.051 180 A CA -0.042 51.894 52.037 -0.169 0.000 0.690 180 A CB 1.888 20.823 19.000 -0.108 0.000 1.281 180 A HN 0.689 nan 8.150 nan 0.000 0.402 181 A N 0.429 123.196 122.820 -0.088 0.000 2.606 181 A HA 0.818 5.138 4.320 -0.000 0.000 0.293 181 A C -1.980 175.595 177.584 -0.014 0.000 1.082 181 A CA -0.396 51.615 52.037 -0.043 0.000 0.685 181 A CB 1.497 20.461 19.000 -0.060 0.000 1.284 181 A HN 2.139 nan 8.150 nan 0.000 0.408 182 L N 0.997 122.234 121.223 0.023 0.000 2.476 182 L HA 0.807 5.147 4.340 -0.000 0.000 0.269 182 L C -0.328 176.568 176.870 0.044 0.000 0.965 182 L CA 0.014 54.874 54.840 0.035 0.000 0.845 182 L CB 1.700 43.793 42.059 0.056 0.000 1.259 182 L HN 1.299 nan 8.230 nan 0.000 0.403 183 A N 6.328 129.152 122.820 0.006 0.000 2.256 183 A HA 0.750 5.070 4.320 -0.000 0.000 0.317 183 A C -1.128 176.457 177.584 0.002 0.000 1.318 183 A CA -0.358 51.675 52.037 -0.006 0.000 0.894 183 A CB 0.190 19.172 19.000 -0.031 0.000 1.165 183 A HN 0.683 nan 8.150 nan 0.000 0.525 184 L N 4.310 125.543 121.223 0.017 0.000 2.276 184 L HA 0.372 4.712 4.340 -0.000 0.000 0.286 184 L C -2.373 174.498 176.870 0.000 0.000 1.024 184 L CA -1.949 52.903 54.840 0.019 0.000 0.826 184 L CB 1.987 44.080 42.059 0.057 0.000 1.211 184 L HN 0.407 nan 8.230 nan 0.000 0.422 185 P HA 0.057 nan 4.420 nan 0.000 0.266 185 P C -0.182 177.114 177.300 -0.006 0.000 1.419 185 P CA -0.083 63.012 63.100 -0.009 0.000 1.112 185 P CB 0.563 32.260 31.700 -0.006 0.000 1.438 186 A N 4.159 126.973 122.820 -0.010 0.000 3.037 186 A HA 0.190 4.510 4.320 -0.000 0.000 0.272 186 A C 0.352 177.927 177.584 -0.014 0.000 1.723 186 A CA -0.496 51.534 52.037 -0.011 0.000 1.413 186 A CB -1.226 17.765 19.000 -0.014 0.000 1.112 186 A HN 0.631 nan 8.150 nan 0.000 0.606 187 E N -0.019 120.175 120.200 -0.011 0.000 0.768 187 E HA -0.099 4.251 4.350 -0.000 0.000 0.365 187 E C 1.009 177.600 176.600 -0.015 0.000 1.016 187 E CA 0.563 56.957 56.400 -0.011 0.000 1.380 187 E CB -1.390 28.304 29.700 -0.010 0.000 0.297 187 E HN 1.843 nan 8.360 nan 0.000 0.365 188 G N 2.299 111.091 108.800 -0.013 0.000 4.526 188 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 188 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 188 G C 0.684 175.575 174.900 -0.015 0.000 1.428 188 G CA 0.246 45.337 45.100 -0.014 0.000 0.928 188 G HN 1.393 nan 8.290 nan 0.000 0.639 189 G N -0.457 108.331 108.800 -0.020 0.000 2.535 189 G HA2 0.729 4.689 3.960 -0.000 0.000 0.303 189 G HA3 0.729 4.689 3.960 -0.000 0.000 0.303 189 G C -0.193 174.692 174.900 -0.024 0.000 1.237 189 G CA 0.681 45.770 45.100 -0.019 0.000 0.986 189 G HN 1.828 nan 8.290 nan 0.000 0.494 190 V N -2.212 117.684 119.914 -0.031 0.000 2.577 190 V HA 0.674 4.794 4.120 -0.000 0.000 0.303 190 V C -0.337 175.726 176.094 -0.051 0.000 1.042 190 V CA -1.029 61.248 62.300 -0.037 0.000 0.872 190 V CB 1.300 33.098 31.823 -0.040 0.000 0.998 190 V HN 0.516 nan 8.190 nan 0.000 0.423 191 V N 6.101 125.984 119.914 -0.051 0.000 2.546 191 V HA 0.516 4.636 4.120 -0.000 0.000 0.284 191 V C -0.008 176.023 176.094 -0.104 0.000 1.050 191 V CA -0.264 61.980 62.300 -0.093 0.000 0.981 191 V CB 1.369 33.138 31.823 -0.090 0.000 0.990 191 V HN 0.755 nan 8.190 nan 0.000 0.474 192 I N 4.298 124.766 120.570 -0.171 0.000 2.466 192 I HA 0.468 4.637 4.170 -0.000 0.000 0.289 192 I C -0.245 175.723 176.117 -0.247 0.000 1.026 192 I CA -0.469 60.751 61.300 -0.134 0.000 1.078 192 I CB 1.518 39.463 38.000 -0.093 0.000 1.249 192 I HN 0.592 nan 8.210 nan 0.000 0.429 193 H N 4.864 123.917 119.070 -0.029 0.000 2.479 193 H HA 0.706 5.262 4.556 -0.000 0.000 0.335 193 H C -0.250 175.059 175.328 -0.030 0.000 1.142 193 H CA -0.261 55.772 56.048 -0.024 0.000 1.234 193 H CB 2.721 32.471 29.762 -0.020 0.000 1.503 193 H HN 0.861 nan 8.280 nan 0.000 0.510 194 C N -0.070 119.280 119.300 0.083 0.000 3.303 194 C HA 0.306 4.765 4.460 -0.000 0.000 0.340 194 C C 0.205 175.200 174.990 0.007 0.000 1.274 194 C CA -1.132 57.899 59.018 0.022 0.000 1.234 194 C CB 1.059 28.790 27.740 -0.015 0.000 1.532 194 C HN 0.724 nan 8.230 nan 0.000 0.483 195 S N 1.795 117.477 115.700 -0.031 0.000 2.701 195 S HA 0.600 5.070 4.470 -0.000 0.000 0.317 195 S C -0.097 174.451 174.600 -0.087 0.000 1.149 195 S CA 0.344 58.510 58.200 -0.055 0.000 1.052 195 S CB -0.701 62.437 63.200 -0.104 0.000 1.257 195 S HN 1.131 nan 8.310 nan 0.000 0.532 196 S N 3.109 118.781 115.700 -0.046 0.000 2.540 196 S HA 0.368 4.838 4.470 -0.000 0.000 0.275 196 S C 0.354 174.951 174.600 -0.005 0.000 1.123 196 S CA -0.626 57.555 58.200 -0.031 0.000 0.907 196 S CB 1.565 64.760 63.200 -0.008 0.000 1.081 196 S HN 0.723 nan 8.310 nan 0.000 0.476 197 Q N 1.384 121.187 119.800 0.006 0.000 2.432 197 Q HA 0.123 4.463 4.340 -0.000 0.000 0.205 197 Q C 0.008 176.053 176.000 0.075 0.000 0.945 197 Q CA 0.568 56.383 55.803 0.020 0.000 0.924 197 Q CB 0.174 28.916 28.738 0.006 0.000 1.016 197 Q HN 0.734 nan 8.270 nan 0.000 0.503 198 H N -0.335 118.730 119.070 -0.009 0.000 2.429 198 H HA 0.156 4.711 4.556 -0.000 0.000 0.231 198 H C -2.172 173.147 175.328 -0.016 0.000 1.416 198 H CA -2.216 53.829 56.048 -0.005 0.000 1.443 198 H CB 1.170 30.927 29.762 -0.008 0.000 1.591 198 H HN -0.026 nan 8.280 nan 0.000 0.507 199 P HA -0.124 nan 4.420 nan 0.000 0.218 199 P C 1.541 178.871 177.300 0.050 0.000 1.149 199 P CA 0.915 64.055 63.100 0.066 0.000 0.817 199 P CB 0.422 32.148 31.700 0.044 0.000 0.785 200 S N -0.337 115.458 115.700 0.159 0.000 2.370 200 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 200 S C 1.994 176.557 174.600 -0.060 0.000 1.033 200 S CA 1.579 59.847 58.200 0.113 0.000 1.011 200 S CB -0.700 62.643 63.200 0.240 0.000 0.852 200 S HN 0.365 nan 8.310 nan 0.000 0.457 201 E N 0.832 120.810 120.200 -0.369 0.000 2.072 201 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 201 E C 1.986 178.424 176.600 -0.270 0.000 0.985 201 E CA 0.968 57.040 56.400 -0.547 0.000 0.801 201 E CB -0.207 28.828 29.700 -1.107 0.000 0.750 201 E HN 0.427 nan 8.360 nan 0.000 0.452 202 I N 1.281 121.732 120.570 -0.198 0.000 2.208 202 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 202 I C 2.834 178.872 176.117 -0.131 0.000 1.097 202 I CA 1.759 62.986 61.300 -0.121 0.000 1.363 202 I CB -0.716 37.239 38.000 -0.074 0.000 1.051 202 I HN 0.437 nan 8.210 nan 0.000 0.413 203 Q N 0.759 120.471 119.800 -0.146 0.000 2.030 203 Q HA -0.325 4.015 4.340 -0.000 0.000 0.204 203 Q C 2.283 178.050 176.000 -0.388 0.000 0.986 203 Q CA 2.375 58.049 55.803 -0.215 0.000 0.843 203 Q CB -0.382 28.250 28.738 -0.176 0.000 0.904 203 Q HN 0.616 nan 8.270 nan 0.000 0.420 204 H N -0.001 118.720 119.070 -0.581 0.000 2.319 204 H HA -0.126 4.430 4.556 -0.000 0.000 0.297 204 H C 1.933 177.029 175.328 -0.388 0.000 1.097 204 H CA 2.039 57.627 56.048 -0.767 0.000 1.285 204 H CB 0.239 29.793 29.762 -0.347 0.000 1.368 204 H HN 0.078 nan 8.280 nan 0.000 0.495 205 K N 0.163 120.550 120.400 -0.021 0.000 2.057 205 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 205 K C 2.395 178.963 176.600 -0.053 0.000 1.050 205 K CA 1.054 57.329 56.287 -0.020 0.000 0.935 205 K CB -0.484 31.986 32.500 -0.050 0.000 0.715 205 K HN 0.240 nan 8.250 nan 0.000 0.439 206 V N 1.798 121.657 119.914 -0.091 0.000 2.261 206 V HA -0.276 3.843 4.120 -0.000 0.000 0.246 206 V C 2.507 178.549 176.094 -0.087 0.000 1.047 206 V CA 1.998 64.248 62.300 -0.084 0.000 1.015 206 V CB -0.894 30.872 31.823 -0.096 0.000 0.642 206 V HN 0.304 nan 8.190 nan 0.000 0.446 207 A N -0.493 122.236 122.820 -0.152 0.000 1.881 207 A HA -0.363 3.957 4.320 -0.000 0.000 0.219 207 A C 2.017 179.552 177.584 -0.081 0.000 1.215 207 A CA 2.814 54.760 52.037 -0.152 0.000 0.648 207 A CB -1.050 17.759 19.000 -0.320 0.000 0.832 207 A HN 0.703 nan 8.150 nan 0.000 0.455 208 H N -0.589 118.376 119.070 -0.174 0.000 2.319 208 H HA 0.052 4.608 4.556 -0.000 0.000 0.299 208 H C 2.457 177.750 175.328 -0.059 0.000 1.092 208 H CA 1.680 57.669 56.048 -0.099 0.000 1.302 208 H CB -0.454 29.268 29.762 -0.067 0.000 1.373 208 H HN 0.531 nan 8.280 nan 0.000 0.497 209 A N 0.512 123.383 122.820 0.085 0.000 1.933 209 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 209 A C 2.247 179.852 177.584 0.035 0.000 1.175 209 A CA 1.133 53.212 52.037 0.070 0.000 0.628 209 A CB -0.447 18.570 19.000 0.028 0.000 0.814 209 A HN 0.324 nan 8.150 nan 0.000 0.444 210 L N -1.669 119.516 121.223 -0.064 0.000 2.270 210 L HA 0.079 4.419 4.340 -0.000 0.000 0.210 210 L C 1.738 178.400 176.870 -0.347 0.000 1.104 210 L CA 1.404 56.176 54.840 -0.113 0.000 0.804 210 L CB -0.900 41.103 42.059 -0.094 0.000 0.937 210 L HN 0.669 nan 8.230 nan 0.000 0.450 211 G N 0.949 109.435 108.800 -0.524 0.000 2.149 211 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.235 211 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.235 211 G C 0.010 174.677 174.900 -0.389 0.000 1.018 211 G CA 0.442 45.033 45.100 -0.849 0.000 0.728 211 G HN 0.368 nan 8.290 nan 0.000 0.508 212 L N -2.259 118.828 121.223 -0.226 0.000 2.341 212 L HA 0.992 5.331 4.340 -0.000 0.000 0.267 212 L C 0.752 177.591 176.870 -0.052 0.000 1.009 212 L CA -0.990 53.787 54.840 -0.104 0.000 0.819 212 L CB 1.420 43.451 42.059 -0.047 0.000 1.323 212 L HN 0.441 nan 8.230 nan 0.000 0.425 213 A N 0.528 123.336 122.820 -0.020 0.000 2.448 213 A HA 0.300 4.620 4.320 -0.000 0.000 0.239 213 A C 0.737 178.390 177.584 0.114 0.000 1.080 213 A CA -0.056 51.956 52.037 -0.042 0.000 0.779 213 A CB -0.183 18.626 19.000 -0.318 0.000 1.026 213 A HN 0.675 nan 8.150 nan 0.000 0.499 214 F N 0.724 120.556 119.950 -0.196 0.000 2.192 214 F HA -0.206 4.321 4.527 -0.000 0.000 0.301 214 F C 2.313 178.124 175.800 0.017 0.000 1.079 214 F CA 2.185 60.137 58.000 -0.080 0.000 1.303 214 F CB -1.009 37.952 39.000 -0.065 0.000 1.024 214 F HN 0.877 nan 8.300 nan 0.000 0.494 215 H N -2.867 116.293 119.070 0.150 0.000 2.563 215 H HA 0.013 4.569 4.556 -0.000 0.000 0.272 215 H C 0.637 175.980 175.328 0.026 0.000 1.005 215 H CA 0.683 56.771 56.048 0.067 0.000 1.171 215 H CB -0.165 29.621 29.762 0.041 0.000 1.351 215 H HN 0.128 nan 8.280 nan 0.000 0.602 216 D N 1.248 121.846 120.400 0.330 0.000 2.398 216 D HA 0.147 4.786 4.640 -0.000 0.000 0.210 216 D C -0.390 175.933 176.300 0.037 0.000 1.094 216 D CA 0.079 54.159 54.000 0.134 0.000 0.839 216 D CB 1.095 41.977 40.800 0.136 0.000 0.963 216 D HN 0.151 nan 8.370 nan 0.000 0.506 217 V N 1.401 121.327 119.914 0.020 0.000 2.407 217 V HA 0.351 4.471 4.120 -0.000 0.000 0.291 217 V C -0.069 175.998 176.094 -0.045 0.000 1.018 217 V CA -0.842 61.430 62.300 -0.045 0.000 0.842 217 V CB 2.506 34.263 31.823 -0.109 0.000 0.996 217 V HN -0.116 nan 8.190 nan 0.000 0.426 218 R N 4.076 124.542 120.500 -0.058 0.000 2.437 218 R HA 0.794 5.134 4.340 -0.000 0.000 0.310 218 R C -1.913 174.321 176.300 -0.110 0.000 0.955 218 R CA -0.356 55.705 56.100 -0.065 0.000 0.851 218 R CB 2.031 32.297 30.300 -0.057 0.000 1.161 218 R HN 0.503 nan 8.270 nan 0.000 0.446 219 V N 3.915 123.768 119.914 -0.103 0.000 2.540 219 V HA 0.386 4.506 4.120 -0.000 0.000 0.302 219 V C -0.509 175.508 176.094 -0.128 0.000 1.035 219 V CA -0.784 61.439 62.300 -0.128 0.000 0.873 219 V CB 1.859 33.631 31.823 -0.084 0.000 0.992 219 V HN 0.817 nan 8.190 nan 0.000 0.428 220 E N 4.096 124.174 120.200 -0.202 0.000 2.207 220 E HA 0.691 5.040 4.350 -0.000 0.000 0.270 220 E C -0.953 175.636 176.600 -0.019 0.000 0.927 220 E CA -0.843 55.482 56.400 -0.124 0.000 0.799 220 E CB 2.045 31.634 29.700 -0.185 0.000 1.172 220 E HN 0.382 nan 8.360 nan 0.000 0.404 221 M N 2.938 122.553 119.600 0.025 0.000 2.284 221 M HA 0.211 4.691 4.480 -0.000 0.000 0.229 221 M C -0.470 175.865 176.300 0.057 0.000 0.984 221 M CA -0.378 54.951 55.300 0.049 0.000 1.016 221 M CB 1.376 33.995 32.600 0.031 0.000 2.379 221 M HN 0.418 nan 8.290 nan 0.000 0.459 222 R N 3.162 123.701 120.500 0.065 0.000 2.075 222 R HA 0.315 4.655 4.340 -0.000 0.000 0.220 222 R C 0.071 176.430 176.300 0.098 0.000 1.118 222 R CA 1.537 57.671 56.100 0.057 0.000 0.986 222 R CB 0.550 30.858 30.300 0.013 0.000 0.884 222 R HN 0.716 nan 8.270 nan 0.000 0.439 223 R N -1.569 118.973 120.500 0.071 0.000 2.734 223 R HA 0.509 4.849 4.340 -0.000 0.000 0.271 223 R C -1.102 175.291 176.300 0.156 0.000 1.021 223 R CA -0.775 55.392 56.100 0.111 0.000 0.893 223 R CB 1.293 31.636 30.300 0.072 0.000 1.244 223 R HN -0.078 nan 8.270 nan 0.000 0.464 224 M N 0.406 120.107 119.600 0.168 0.000 2.530 224 M HA 0.395 4.875 4.480 -0.000 0.000 0.307 224 M C 0.520 176.907 176.300 0.145 0.000 1.161 224 M CA -0.768 54.605 55.300 0.121 0.000 0.903 224 M CB 2.576 35.163 32.600 -0.022 0.000 1.711 224 M HN 0.990 nan 8.290 nan 0.000 0.451 225 G N 1.041 109.829 108.800 -0.019 0.000 3.474 225 G HA2 0.503 4.463 3.960 -0.000 0.000 0.269 225 G HA3 0.503 4.463 3.960 -0.000 0.000 0.269 225 G C 0.294 175.203 174.900 0.014 0.000 1.339 225 G CA 0.233 45.247 45.100 -0.142 0.000 1.258 225 G HN 1.070 nan 8.290 nan 0.000 0.560 226 G N -2.076 106.725 108.800 0.002 0.000 2.841 226 G HA2 0.410 4.369 3.960 -0.000 0.000 0.684 226 G HA3 0.410 4.369 3.960 -0.000 0.000 0.684 226 G C 0.375 175.248 174.900 -0.045 0.000 1.273 226 G CA -0.334 44.781 45.100 0.025 0.000 0.811 226 G HN 0.959 nan 8.290 nan 0.000 0.631 227 G N -0.218 108.409 108.800 -0.287 0.000 2.714 227 G HA2 0.526 4.486 3.960 -0.000 0.000 0.204 227 G HA3 0.526 4.486 3.960 -0.000 0.000 0.204 227 G C 0.964 175.965 174.900 0.167 0.000 1.197 227 G CA 0.929 45.979 45.100 -0.084 0.000 0.642 227 G HN 1.633 nan 8.290 nan 0.000 0.849 228 F N 0.800 120.810 119.950 0.099 0.000 3.079 228 F HA -0.211 4.316 4.527 -0.000 0.000 0.285 228 F C 1.964 177.794 175.800 0.050 0.000 0.819 228 F CA 1.152 59.203 58.000 0.083 0.000 1.067 228 F CB -1.493 37.540 39.000 0.055 0.000 1.263 228 F HN 1.085 nan 8.300 nan 0.000 0.458 229 G N -1.450 107.442 108.800 0.153 0.000 2.238 229 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.217 229 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.217 229 G C 1.142 176.051 174.900 0.016 0.000 0.996 229 G CA 0.167 45.363 45.100 0.160 0.000 0.632 229 G HN 1.137 nan 8.290 nan 0.000 0.503 230 G N 0.225 108.845 108.800 -0.301 0.000 2.430 230 G HA2 0.114 4.074 3.960 -0.000 0.000 0.216 230 G HA3 0.114 4.074 3.960 -0.000 0.000 0.216 230 G C 1.184 175.993 174.900 -0.152 0.000 1.146 230 G CA 1.173 45.901 45.100 -0.619 0.000 0.793 230 G HN 0.481 nan 8.290 nan 0.000 0.537 231 K N 0.197 120.526 120.400 -0.118 0.000 2.577 231 K HA 0.183 4.503 4.320 -0.000 0.000 0.210 231 K C 1.588 178.168 176.600 -0.033 0.000 1.048 231 K CA -0.154 56.055 56.287 -0.129 0.000 1.188 231 K CB 0.507 32.867 32.500 -0.234 0.000 0.910 231 K HN 0.331 nan 8.250 nan 0.000 0.483 232 Q N 0.244 120.053 119.800 0.015 0.000 2.376 232 Q HA -0.034 4.306 4.340 -0.000 0.000 0.206 232 Q C 1.113 177.185 176.000 0.120 0.000 0.921 232 Q CA 1.108 56.963 55.803 0.087 0.000 0.911 232 Q CB 0.586 29.394 28.738 0.118 0.000 1.032 232 Q HN 0.290 nan 8.270 nan 0.000 0.510 233 S N -2.223 113.524 115.700 0.078 0.000 2.583 233 S HA 0.078 4.548 4.470 -0.000 0.000 0.264 233 S C 0.606 175.253 174.600 0.077 0.000 1.008 233 S CA -0.557 57.684 58.200 0.070 0.000 1.435 233 S CB 0.036 63.284 63.200 0.080 0.000 1.236 233 S HN 0.185 nan 8.310 nan 0.000 0.669 234 Q N 1.648 121.487 119.800 0.065 0.000 2.265 234 Q HA 0.340 4.680 4.340 -0.000 0.000 0.217 234 Q C 1.270 177.341 176.000 0.118 0.000 0.916 234 Q CA 0.727 56.590 55.803 0.101 0.000 0.948 234 Q CB 0.133 28.918 28.738 0.079 0.000 1.020 234 Q HN 0.713 nan 8.270 nan 0.000 0.462 235 G N 0.701 109.549 108.800 0.080 0.000 2.709 235 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.208 235 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.208 235 G C 1.149 176.102 174.900 0.088 0.000 1.129 235 G CA -0.115 45.013 45.100 0.047 0.000 0.793 235 G HN 0.381 nan 8.290 nan 0.000 0.524 236 N N 0.406 119.166 118.700 0.101 0.000 2.133 236 N HA -0.226 4.514 4.740 -0.000 0.000 0.193 236 N C 1.807 177.375 175.510 0.097 0.000 1.012 236 N CA 1.405 54.497 53.050 0.068 0.000 0.871 236 N CB -0.244 38.274 38.487 0.051 0.000 1.011 236 N HN 0.357 nan 8.380 nan 0.000 0.435 237 H N -0.215 118.941 119.070 0.144 0.000 2.389 237 H HA 0.024 4.580 4.556 -0.000 0.000 0.299 237 H C 1.767 177.279 175.328 0.307 0.000 1.081 237 H CA 0.976 57.183 56.048 0.265 0.000 1.345 237 H CB 0.065 30.040 29.762 0.356 0.000 1.393 237 H HN 0.130 nan 8.280 nan 0.000 0.520 238 L N -0.690 120.686 121.223 0.256 0.000 2.127 238 L HA 0.097 4.436 4.340 -0.000 0.000 0.203 238 L C 2.600 179.470 176.870 0.001 0.000 1.080 238 L CA 1.140 56.010 54.840 0.049 0.000 0.768 238 L CB -0.562 41.403 42.059 -0.156 0.000 0.924 238 L HN 0.212 nan 8.230 nan 0.000 0.444 239 A N -0.070 122.752 122.820 0.003 0.000 1.972 239 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 239 A C 2.311 179.880 177.584 -0.025 0.000 1.169 239 A CA 1.489 53.512 52.037 -0.023 0.000 0.635 239 A CB -0.673 18.309 19.000 -0.031 0.000 0.810 239 A HN 0.341 nan 8.150 nan 0.000 0.446 240 I N -0.488 120.079 120.570 -0.005 0.000 2.162 240 I HA -0.231 3.939 4.170 -0.000 0.000 0.238 240 I C 3.031 179.139 176.117 -0.014 0.000 1.076 240 I CA 0.956 62.248 61.300 -0.015 0.000 1.353 240 I CB -0.471 37.516 38.000 -0.021 0.000 1.063 240 I HN 0.341 nan 8.210 nan 0.000 0.408 241 A N 0.024 122.869 122.820 0.040 0.000 1.903 241 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 241 A C 2.454 179.990 177.584 -0.081 0.000 1.191 241 A CA 2.330 54.373 52.037 0.009 0.000 0.638 241 A CB -1.457 17.544 19.000 0.001 0.000 0.823 241 A HN 0.582 nan 8.150 nan 0.000 0.451 242 C N -1.551 117.707 119.300 -0.069 0.000 2.429 242 C HA 0.088 4.548 4.460 -0.000 0.000 0.277 242 C C 3.351 178.295 174.990 -0.077 0.000 1.262 242 C CA 0.948 59.924 59.018 -0.071 0.000 1.733 242 C CB -1.257 26.450 27.740 -0.055 0.000 2.010 242 C HN 0.715 nan 8.230 nan 0.000 0.483 243 A N -0.227 122.550 122.820 -0.072 0.000 1.930 243 A HA -0.004 4.315 4.320 -0.000 0.000 0.215 243 A C 2.202 179.730 177.584 -0.093 0.000 1.176 243 A CA 1.634 53.628 52.037 -0.071 0.000 0.632 243 A CB -0.531 18.432 19.000 -0.061 0.000 0.819 243 A HN 0.363 nan 8.150 nan 0.000 0.445 244 V N -0.033 119.803 119.914 -0.130 0.000 2.358 244 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 244 V C 3.010 178.904 176.094 -0.333 0.000 1.047 244 V CA 1.875 64.056 62.300 -0.198 0.000 1.035 244 V CB -1.198 30.492 31.823 -0.221 0.000 0.658 244 V HN 0.579 nan 8.190 nan 0.000 0.452 245 A N 0.004 122.601 122.820 -0.373 0.000 1.898 245 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 245 A C 2.433 179.976 177.584 -0.068 0.000 1.181 245 A CA 1.881 53.724 52.037 -0.323 0.000 0.620 245 A CB -0.745 18.173 19.000 -0.137 0.000 0.819 245 A HN 0.538 nan 8.150 nan 0.000 0.442 246 A N -0.032 122.751 122.820 -0.062 0.000 1.865 246 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 246 A C 2.230 179.808 177.584 -0.009 0.000 1.191 246 A CA 1.914 53.937 52.037 -0.024 0.000 0.623 246 A CB -0.654 18.328 19.000 -0.031 0.000 0.826 246 A HN 0.560 nan 8.150 nan 0.000 0.444 247 R N -0.421 120.062 120.500 -0.028 0.000 2.143 247 R HA -0.242 4.097 4.340 -0.000 0.000 0.239 247 R C 2.310 178.624 176.300 0.024 0.000 1.126 247 R CA 2.189 58.285 56.100 -0.008 0.000 0.927 247 R CB -0.592 29.697 30.300 -0.018 0.000 0.860 247 R HN 0.453 nan 8.270 nan 0.000 0.433 248 A N -0.396 122.445 122.820 0.035 0.000 1.933 248 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 248 A C 2.140 179.809 177.584 0.140 0.000 1.175 248 A CA 2.147 54.259 52.037 0.125 0.000 0.628 248 A CB -0.757 18.399 19.000 0.259 0.000 0.814 248 A HN 0.719 nan 8.150 nan 0.000 0.444 249 T N -4.895 109.738 114.554 0.132 0.000 3.081 249 T HA 0.397 4.747 4.350 -0.000 0.000 0.250 249 T C 1.612 176.347 174.700 0.058 0.000 1.100 249 T CA 1.047 63.212 62.100 0.109 0.000 1.038 249 T CB 0.155 69.096 68.868 0.122 0.000 0.962 249 T HN 1.625 nan 8.240 nan 0.000 0.516 250 G N 2.201 111.027 108.800 0.043 0.000 2.302 250 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.263 250 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.263 250 G C 0.463 175.373 174.900 0.016 0.000 0.995 250 G CA 0.373 45.488 45.100 0.025 0.000 0.622 250 G HN 0.677 nan 8.290 nan 0.000 0.538 251 R N 1.196 121.706 120.500 0.017 0.000 2.583 251 R HA 0.443 4.782 4.340 -0.000 0.000 0.268 251 R C -2.433 173.862 176.300 -0.008 0.000 1.101 251 R CA -1.322 54.780 56.100 0.003 0.000 1.180 251 R CB 0.368 30.668 30.300 0.000 0.000 1.128 251 R HN 0.205 nan 8.270 nan 0.000 0.568 252 P HA 0.200 nan 4.420 nan 0.000 0.284 252 P C -0.694 176.572 177.300 -0.057 0.000 1.253 252 P CA -0.362 62.721 63.100 -0.029 0.000 0.800 252 P CB 0.835 32.521 31.700 -0.024 0.000 0.961 253 C N 3.624 122.892 119.300 -0.054 0.000 2.379 253 C HA 0.522 4.982 4.460 -0.000 0.000 0.323 253 C C 0.392 175.339 174.990 -0.072 0.000 1.262 253 C CA -0.308 58.664 59.018 -0.076 0.000 1.581 253 C CB 0.985 28.699 27.740 -0.043 0.000 2.221 253 C HN 0.566 nan 8.230 nan 0.000 0.497 254 K N 3.354 123.693 120.400 -0.103 0.000 2.203 254 K HA 0.811 5.130 4.320 -0.000 0.000 0.251 254 K C -1.272 175.356 176.600 0.046 0.000 0.944 254 K CA -0.461 55.815 56.287 -0.019 0.000 0.829 254 K CB 1.526 34.041 32.500 0.025 0.000 1.125 254 K HN 0.858 nan 8.250 nan 0.000 0.430 255 M N 4.218 123.829 119.600 0.018 0.000 2.277 255 M HA 0.332 4.812 4.480 -0.000 0.000 0.282 255 M C -1.863 174.393 176.300 -0.074 0.000 1.074 255 M CA -0.592 54.705 55.300 -0.004 0.000 0.954 255 M CB 1.687 34.220 32.600 -0.111 0.000 1.672 255 M HN 0.773 nan 8.290 nan 0.000 0.471 256 R N 3.105 123.595 120.500 -0.017 0.000 2.744 256 R HA 0.592 4.932 4.340 -0.000 0.000 0.279 256 R C -1.990 174.350 176.300 0.068 0.000 0.977 256 R CA -0.752 55.292 56.100 -0.094 0.000 0.906 256 R CB 1.299 31.542 30.300 -0.096 0.000 1.197 256 R HN 0.619 nan 8.270 nan 0.000 0.463 257 Y N 0.952 121.290 120.300 0.063 0.000 2.309 257 Y HA 0.146 4.696 4.550 -0.000 0.000 0.327 257 Y C 0.460 176.401 175.900 0.069 0.000 1.172 257 Y CA -0.822 57.332 58.100 0.091 0.000 1.280 257 Y CB 1.069 39.586 38.460 0.094 0.000 1.234 257 Y HN 0.459 nan 8.280 nan 0.000 0.512 258 D N 1.422 121.984 120.400 0.269 0.000 2.329 258 D HA 0.059 4.698 4.640 -0.000 0.000 0.246 258 D C 1.087 177.454 176.300 0.112 0.000 1.111 258 D CA -0.203 53.888 54.000 0.151 0.000 0.941 258 D CB 1.153 42.043 40.800 0.150 0.000 1.169 258 D HN 0.544 nan 8.370 nan 0.000 0.441 259 R N 0.832 121.362 120.500 0.049 0.000 2.133 259 R HA -0.195 4.144 4.340 -0.000 0.000 0.247 259 R C 1.122 177.439 176.300 0.029 0.000 1.151 259 R CA 1.677 57.775 56.100 -0.004 0.000 0.971 259 R CB -0.087 30.184 30.300 -0.049 0.000 0.866 259 R HN 0.353 nan 8.270 nan 0.000 0.447 260 D N -0.224 120.214 120.400 0.063 0.000 2.178 260 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 260 D C 1.133 177.427 176.300 -0.009 0.000 0.974 260 D CA 1.176 55.220 54.000 0.074 0.000 0.841 260 D CB -0.085 40.766 40.800 0.084 0.000 0.953 260 D HN 0.264 nan 8.370 nan 0.000 0.478 261 D N -0.111 120.277 120.400 -0.019 0.000 2.110 261 D HA -0.117 4.522 4.640 -0.000 0.000 0.202 261 D C 1.662 177.824 176.300 -0.229 0.000 0.975 261 D CA 0.588 54.509 54.000 -0.132 0.000 0.839 261 D CB -0.248 40.489 40.800 -0.105 0.000 0.996 261 D HN 0.155 nan 8.370 nan 0.000 0.464 262 D N 0.497 120.829 120.400 -0.112 0.000 2.126 262 D HA -0.172 4.468 4.640 -0.000 0.000 0.190 262 D C 2.169 178.437 176.300 -0.053 0.000 1.001 262 D CA 1.069 55.055 54.000 -0.024 0.000 0.841 262 D CB -0.004 40.883 40.800 0.145 0.000 0.949 262 D HN 0.187 nan 8.370 nan 0.000 0.446 263 M N -0.210 119.360 119.600 -0.050 0.000 2.175 263 M HA -0.130 4.349 4.480 -0.000 0.000 0.264 263 M C 2.399 178.685 176.300 -0.023 0.000 1.063 263 M CA 0.703 55.972 55.300 -0.050 0.000 1.119 263 M CB -0.045 32.537 32.600 -0.030 0.000 1.377 263 M HN -0.062 nan 8.290 nan 0.000 0.415 264 V N 0.712 120.605 119.914 -0.035 0.000 2.283 264 V HA -0.219 3.901 4.120 -0.000 0.000 0.243 264 V C 2.195 178.325 176.094 0.059 0.000 1.039 264 V CA 1.590 63.883 62.300 -0.013 0.000 1.016 264 V CB -0.437 31.324 31.823 -0.104 0.000 0.650 264 V HN 0.371 nan 8.190 nan 0.000 0.449 265 I N -0.218 120.315 120.570 -0.062 0.000 2.110 265 I HA -0.112 4.058 4.170 -0.000 0.000 0.236 265 I C 1.618 177.753 176.117 0.031 0.000 1.068 265 I CA 1.568 62.843 61.300 -0.042 0.000 1.333 265 I CB -0.404 37.392 38.000 -0.341 0.000 1.054 265 I HN 0.347 nan 8.210 nan 0.000 0.402 266 T N 0.470 115.006 114.554 -0.029 0.000 2.904 266 T HA 0.466 4.815 4.350 -0.000 0.000 0.290 266 T C 0.142 174.856 174.700 0.023 0.000 1.018 266 T CA -0.407 61.708 62.100 0.024 0.000 1.075 266 T CB 1.164 70.100 68.868 0.113 0.000 0.986 266 T HN 0.319 nan 8.240 nan 0.000 0.523 267 G N 2.390 111.197 108.800 0.012 0.000 2.488 267 G HA2 0.625 4.584 3.960 -0.000 0.000 0.318 267 G HA3 0.625 4.584 3.960 -0.000 0.000 0.318 267 G C -0.898 174.058 174.900 0.093 0.000 1.188 267 G CA -0.800 44.313 45.100 0.023 0.000 0.944 267 G HN 0.746 nan 8.290 nan 0.000 0.495 268 K N -0.787 119.678 120.400 0.108 0.000 2.296 268 K HA 0.502 4.822 4.320 -0.000 0.000 0.243 268 K C 0.301 176.977 176.600 0.126 0.000 1.082 268 K CA -0.930 55.463 56.287 0.177 0.000 0.929 268 K CB 0.651 33.236 32.500 0.141 0.000 1.353 268 K HN 0.426 nan 8.250 nan 0.000 0.536 269 R N 1.261 121.862 120.500 0.169 0.000 2.489 269 R HA 0.033 4.373 4.340 -0.000 0.000 0.287 269 R C -0.739 175.624 176.300 0.105 0.000 1.053 269 R CA -0.037 56.134 56.100 0.118 0.000 1.036 269 R CB -0.086 30.189 30.300 -0.041 0.000 0.966 269 R HN 0.521 nan 8.270 nan 0.000 0.432 270 H N 2.942 122.078 119.070 0.110 0.000 3.187 270 H HA -0.074 4.481 4.556 -0.000 0.000 0.286 270 H C -0.249 175.221 175.328 0.236 0.000 0.944 270 H CA 0.892 57.003 56.048 0.104 0.000 1.429 270 H CB 0.138 29.944 29.762 0.072 0.000 1.483 270 H HN 0.507 nan 8.280 nan 0.000 0.555 271 D N 4.003 124.551 120.400 0.248 0.000 2.308 271 D HA 0.104 4.744 4.640 -0.000 0.000 0.251 271 D C -0.217 176.187 176.300 0.173 0.000 1.127 271 D CA -0.191 53.975 54.000 0.277 0.000 0.876 271 D CB 0.857 41.790 40.800 0.222 0.000 1.176 271 D HN 0.269 nan 8.370 nan 0.000 0.446 272 F N 0.324 120.291 119.950 0.029 0.000 2.541 272 F HA 0.462 4.989 4.527 -0.001 0.000 0.331 272 F C 0.934 176.683 175.800 -0.085 0.000 1.057 272 F CA -1.155 56.828 58.000 -0.029 0.000 0.975 272 F CB 2.262 41.214 39.000 -0.080 0.000 1.246 272 F HN 0.098 nan 8.300 nan 0.000 0.484 273 R N 2.121 122.692 120.500 0.119 0.000 2.621 273 R HA 0.666 5.006 4.340 -0.000 0.000 0.292 273 R C -1.842 174.539 176.300 0.136 0.000 0.969 273 R CA -0.572 55.544 56.100 0.028 0.000 0.887 273 R CB 1.574 31.884 30.300 0.017 0.000 1.180 273 R HN 0.693 nan 8.270 nan 0.000 0.450 274 I N 3.809 124.443 120.570 0.106 0.000 2.418 274 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 274 I C -0.071 176.279 176.117 0.388 0.000 1.008 274 I CA -0.739 60.774 61.300 0.354 0.000 1.104 274 I CB 1.932 40.226 38.000 0.490 0.000 1.264 274 I HN 0.401 nan 8.210 nan 0.000 0.438 275 R N 6.540 127.227 120.500 0.312 0.000 2.254 275 R HA 0.443 4.782 4.340 -0.000 0.000 0.318 275 R C -1.656 174.794 176.300 0.251 0.000 1.031 275 R CA -0.426 55.774 56.100 0.167 0.000 0.905 275 R CB 0.870 31.220 30.300 0.083 0.000 1.050 275 R HN 0.582 nan 8.270 nan 0.000 0.456 276 Y N 0.943 121.321 120.300 0.131 0.000 2.391 276 Y HA 0.547 5.097 4.550 -0.000 0.000 0.341 276 Y C -1.033 174.798 175.900 -0.115 0.000 0.965 276 Y CA -1.269 56.806 58.100 -0.042 0.000 1.067 276 Y CB 1.349 39.843 38.460 0.056 0.000 1.199 276 Y HN 0.365 nan 8.280 nan 0.000 0.450 277 R N 4.903 125.356 120.500 -0.079 0.000 2.388 277 R HA 0.603 4.942 4.340 -0.000 0.000 0.314 277 R C -1.576 174.653 176.300 -0.118 0.000 0.959 277 R CA -0.696 55.364 56.100 -0.066 0.000 0.851 277 R CB 2.110 32.359 30.300 -0.084 0.000 1.168 277 R HN 0.961 nan 8.270 nan 0.000 0.472 278 I N 1.058 121.605 120.570 -0.038 0.000 2.569 278 I HA 0.660 4.830 4.170 -0.000 0.000 0.296 278 I C -0.642 175.441 176.117 -0.057 0.000 1.028 278 I CA -0.472 60.777 61.300 -0.085 0.000 1.082 278 I CB 2.054 40.003 38.000 -0.085 0.000 1.264 278 I HN 0.669 nan 8.210 nan 0.000 0.429 279 G N 5.291 114.053 108.800 -0.064 0.000 2.638 279 G HA2 0.808 4.768 3.960 -0.000 0.000 0.302 279 G HA3 0.808 4.768 3.960 -0.000 0.000 0.302 279 G C -1.608 173.271 174.900 -0.035 0.000 1.365 279 G CA -0.278 44.798 45.100 -0.041 0.000 0.987 279 G HN 0.900 nan 8.290 nan 0.000 0.495 280 A N 1.317 124.134 122.820 -0.004 0.000 2.504 280 A HA 0.937 5.257 4.320 -0.000 0.000 0.285 280 A C -0.662 176.949 177.584 0.045 0.000 1.261 280 A CA -0.434 51.607 52.037 0.006 0.000 0.741 280 A CB 1.649 20.641 19.000 -0.013 0.000 1.327 280 A HN 0.811 nan 8.150 nan 0.000 0.441 281 D N -1.524 118.907 120.400 0.052 0.000 2.627 281 D HA 0.620 5.260 4.640 -0.000 0.000 0.259 281 D C 1.019 177.394 176.300 0.125 0.000 1.164 281 D CA 0.182 54.217 54.000 0.059 0.000 1.087 281 D CB 0.566 41.381 40.800 0.024 0.000 1.217 281 D HN 0.554 nan 8.370 nan 0.000 0.630 282 A N -0.180 122.687 122.820 0.079 0.000 1.898 282 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 282 A C 2.081 179.698 177.584 0.056 0.000 1.181 282 A CA 2.529 54.621 52.037 0.093 0.000 0.620 282 A CB -1.212 17.814 19.000 0.043 0.000 0.819 282 A HN 0.615 nan 8.150 nan 0.000 0.442 283 S N -2.160 113.558 115.700 0.029 0.000 2.428 283 S HA 0.316 4.785 4.470 -0.000 0.000 0.230 283 S C 1.522 176.117 174.600 -0.009 0.000 1.014 283 S CA 1.483 59.688 58.200 0.008 0.000 0.957 283 S CB -0.105 63.099 63.200 0.006 0.000 0.784 283 S HN 1.845 nan 8.310 nan 0.000 0.499 284 G N 0.466 109.263 108.800 -0.005 0.000 2.336 284 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.194 284 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.194 284 G C -0.102 174.774 174.900 -0.041 0.000 0.999 284 G CA -0.350 44.727 45.100 -0.038 0.000 0.669 284 G HN 0.406 nan 8.290 nan 0.000 0.482 285 K N 1.403 121.793 120.400 -0.017 0.000 2.448 285 K HA 0.326 4.646 4.320 -0.000 0.000 0.278 285 K C 0.988 177.580 176.600 -0.014 0.000 1.009 285 K CA -0.166 56.116 56.287 -0.008 0.000 0.995 285 K CB 0.955 33.471 32.500 0.026 0.000 0.917 285 K HN 0.383 nan 8.250 nan 0.000 0.481 286 L N 3.443 124.647 121.223 -0.032 0.000 2.485 286 L HA -0.089 4.251 4.340 -0.000 0.000 0.275 286 L C 1.561 178.409 176.870 -0.037 0.000 1.207 286 L CA -0.147 54.663 54.840 -0.051 0.000 0.855 286 L CB -0.013 41.999 42.059 -0.078 0.000 1.114 286 L HN 0.473 nan 8.230 nan 0.000 0.485 287 L N 2.062 123.262 121.223 -0.038 0.000 2.463 287 L HA 0.390 4.730 4.340 -0.000 0.000 0.219 287 L C 0.750 177.591 176.870 -0.049 0.000 1.088 287 L CA 0.524 55.345 54.840 -0.032 0.000 0.849 287 L CB 0.305 42.350 42.059 -0.022 0.000 1.012 287 L HN 0.812 nan 8.230 nan 0.000 0.468 288 G N -1.193 107.569 108.800 -0.064 0.000 2.368 288 G HA2 0.503 4.463 3.960 -0.000 0.000 0.301 288 G HA3 0.503 4.463 3.960 -0.000 0.000 0.301 288 G C -1.862 172.984 174.900 -0.090 0.000 1.640 288 G CA -0.243 44.816 45.100 -0.069 0.000 0.941 288 G HN 0.145 nan 8.290 nan 0.000 0.695 289 A N 0.959 123.717 122.820 -0.104 0.000 2.343 289 A HA 0.769 5.089 4.320 -0.000 0.000 0.308 289 A C -1.121 176.291 177.584 -0.286 0.000 1.092 289 A CA -0.531 51.366 52.037 -0.234 0.000 0.751 289 A CB 1.927 20.799 19.000 -0.214 0.000 1.203 289 A HN 0.632 nan 8.150 nan 0.000 0.452 290 D N 1.502 121.683 120.400 -0.365 0.000 2.349 290 D HA 0.620 5.260 4.640 -0.000 0.000 0.232 290 D C -1.288 174.792 176.300 -0.366 0.000 1.071 290 D CA 0.340 54.197 54.000 -0.238 0.000 0.832 290 D CB 0.377 41.108 40.800 -0.115 0.000 1.086 290 D HN 0.289 nan 8.370 nan 0.000 0.504 291 F N 2.342 122.304 119.950 0.021 0.000 2.495 291 F HA 0.482 5.009 4.527 -0.000 0.000 0.327 291 F C -0.153 175.610 175.800 -0.061 0.000 1.103 291 F CA -1.025 56.977 58.000 0.004 0.000 0.949 291 F CB 1.855 40.812 39.000 -0.073 0.000 1.142 291 F HN -0.022 nan 8.300 nan 0.000 0.457 292 V N 2.764 122.816 119.914 0.230 0.000 2.448 292 V HA 0.344 4.463 4.120 -0.000 0.000 0.295 292 V C -0.629 175.635 176.094 0.283 0.000 1.025 292 V CA -0.865 61.539 62.300 0.175 0.000 0.859 292 V CB 1.391 33.322 31.823 0.180 0.000 0.988 292 V HN 0.731 nan 8.190 nan 0.000 0.431 293 H N 4.926 124.157 119.070 0.268 0.000 2.467 293 H HA 0.664 5.220 4.556 -0.000 0.000 0.326 293 H C -0.832 174.622 175.328 0.210 0.000 1.094 293 H CA -0.780 55.447 56.048 0.300 0.000 1.253 293 H CB 1.672 31.656 29.762 0.370 0.000 1.439 293 H HN 0.448 nan 8.280 nan 0.000 0.479 294 L N 3.012 124.378 121.223 0.237 0.000 2.342 294 L HA 0.579 4.919 4.340 -0.000 0.000 0.276 294 L C -0.461 176.263 176.870 -0.243 0.000 0.997 294 L CA -0.682 54.173 54.840 0.025 0.000 0.838 294 L CB 1.415 43.475 42.059 0.002 0.000 1.224 294 L HN 0.610 nan 8.230 nan 0.000 0.416 295 A N 3.289 125.866 122.820 -0.405 0.000 2.343 295 A HA 0.626 4.946 4.320 -0.000 0.000 0.316 295 A C -0.302 177.101 177.584 -0.303 0.000 1.104 295 A CA -0.717 50.870 52.037 -0.751 0.000 0.768 295 A CB 1.230 19.425 19.000 -1.342 0.000 1.213 295 A HN 0.620 nan 8.150 nan 0.000 0.456 296 R N 2.351 122.726 120.500 -0.209 0.000 2.609 296 R HA 0.107 4.447 4.340 -0.000 0.000 0.271 296 R C 0.159 176.463 176.300 0.006 0.000 1.403 296 R CA -0.003 56.042 56.100 -0.092 0.000 1.138 296 R CB -0.206 30.026 30.300 -0.115 0.000 1.142 296 R HN 0.882 nan 8.270 nan 0.000 0.559 297 C N 0.826 120.170 119.300 0.073 0.000 2.464 297 C HA 0.147 4.607 4.460 -0.000 0.000 0.278 297 C C 1.433 176.415 174.990 -0.014 0.000 1.375 297 C CA 0.915 60.004 59.018 0.119 0.000 1.761 297 C CB -0.804 26.977 27.740 0.067 0.000 1.944 297 C HN 0.999 nan 8.230 nan 0.000 0.509 298 G N -0.145 108.678 108.800 0.038 0.000 2.610 298 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.304 298 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.304 298 G C 0.241 175.250 174.900 0.182 0.000 1.309 298 G CA 0.012 45.139 45.100 0.045 0.000 0.906 298 G HN 0.588 nan 8.290 nan 0.000 0.521 299 W N 0.391 121.673 121.300 -0.030 0.000 2.825 299 W HA 0.498 5.158 4.660 -0.000 0.000 0.243 299 W C 0.145 176.739 176.519 0.125 0.000 1.293 299 W CA 0.873 58.250 57.345 0.053 0.000 1.403 299 W CB -0.861 28.647 29.460 0.080 0.000 1.134 299 W HN 0.742 nan 8.180 nan 0.000 0.666 300 S N -0.912 114.437 115.700 -0.585 0.000 2.588 300 S HA 0.569 5.039 4.470 -0.000 0.000 0.275 300 S C 0.835 175.119 174.600 -0.525 0.000 1.130 300 S CA -0.167 57.632 58.200 -0.668 0.000 0.855 300 S CB 1.842 64.243 63.200 -1.331 0.000 1.116 300 S HN 0.011 nan 8.310 nan 0.000 0.472 301 A N 1.372 123.860 122.820 -0.553 0.000 1.865 301 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 301 A C 1.308 178.627 177.584 -0.443 0.000 1.191 301 A CA 2.095 53.682 52.037 -0.750 0.000 0.623 301 A CB -1.003 17.751 19.000 -0.411 0.000 0.826 301 A HN 1.031 nan 8.150 nan 0.000 0.444 302 D N -1.565 118.669 120.400 -0.277 0.000 3.910 302 D HA -0.257 4.382 4.640 -0.000 0.000 0.153 302 D C 0.380 176.639 176.300 -0.068 0.000 0.802 302 D CA 2.263 56.182 54.000 -0.135 0.000 1.009 302 D CB -1.110 39.624 40.800 -0.111 0.000 0.453 302 D HN 0.293 nan 8.370 nan 0.000 0.422 303 L N 0.885 122.112 121.223 0.007 0.000 2.965 303 L HA 0.186 4.525 4.340 -0.000 0.000 0.254 303 L C 2.035 178.895 176.870 -0.017 0.000 1.220 303 L CA -0.145 54.745 54.840 0.083 0.000 1.023 303 L CB 0.573 42.786 42.059 0.258 0.000 1.355 303 L HN 0.083 nan 8.230 nan 0.000 0.545 304 S N 0.357 116.004 115.700 -0.087 0.000 2.400 304 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 304 S C 1.845 176.296 174.600 -0.249 0.000 1.025 304 S CA 1.363 59.434 58.200 -0.215 0.000 0.993 304 S CB -0.086 62.970 63.200 -0.240 0.000 0.808 304 S HN 0.488 nan 8.310 nan 0.000 0.478 305 L N 2.491 123.622 121.223 -0.153 0.000 1.961 305 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 305 L C -0.882 175.995 176.870 0.012 0.000 1.072 305 L CA 1.528 56.331 54.840 -0.062 0.000 0.749 305 L CB -1.150 40.897 42.059 -0.021 0.000 0.889 305 L HN 0.198 nan 8.230 nan 0.000 0.432 306 P HA -0.095 nan 4.420 nan 0.000 0.223 306 P C 1.886 179.285 177.300 0.165 0.000 1.151 306 P CA 1.039 64.298 63.100 0.266 0.000 0.787 306 P CB 0.064 32.049 31.700 0.475 0.000 0.788 307 V N 0.733 120.483 119.914 -0.274 0.000 2.237 307 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 307 V C 2.685 178.629 176.094 -0.250 0.000 1.046 307 V CA 2.255 64.154 62.300 -0.669 0.000 1.007 307 V CB -1.469 29.851 31.823 -0.838 0.000 0.638 307 V HN 0.165 nan 8.190 nan 0.000 0.445 308 C N 0.219 119.414 119.300 -0.174 0.000 2.449 308 C HA -0.072 4.387 4.460 -0.000 0.000 0.283 308 C C 2.287 177.305 174.990 0.046 0.000 1.453 308 C CA 0.104 59.126 59.018 0.008 0.000 1.779 308 C CB -1.381 26.343 27.740 -0.026 0.000 1.779 308 C HN 0.605 nan 8.230 nan 0.000 0.546 309 D N 0.802 121.251 120.400 0.082 0.000 2.123 309 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 309 D C 2.298 178.745 176.300 0.245 0.000 0.976 309 D CA 0.969 55.098 54.000 0.215 0.000 0.831 309 D CB -0.399 40.630 40.800 0.381 0.000 0.974 309 D HN 0.492 nan 8.370 nan 0.000 0.469 310 R N 0.773 121.412 120.500 0.233 0.000 2.115 310 R HA -0.038 4.302 4.340 -0.000 0.000 0.230 310 R C 2.088 178.567 176.300 0.299 0.000 1.111 310 R CA 1.244 57.523 56.100 0.299 0.000 0.976 310 R CB -0.054 30.455 30.300 0.349 0.000 0.870 310 R HN 0.073 nan 8.270 nan 0.000 0.445 311 A N 0.797 123.690 122.820 0.123 0.000 1.877 311 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 311 A C 2.189 179.888 177.584 0.192 0.000 1.186 311 A CA 1.604 53.648 52.037 0.013 0.000 0.620 311 A CB -0.442 18.431 19.000 -0.212 0.000 0.822 311 A HN 0.350 nan 8.150 nan 0.000 0.443 312 M N -1.110 118.623 119.600 0.220 0.000 2.117 312 M HA -0.111 4.369 4.480 -0.000 0.000 0.262 312 M C 1.900 178.479 176.300 0.466 0.000 1.065 312 M CA 1.026 56.459 55.300 0.222 0.000 1.114 312 M CB -0.403 32.049 32.600 -0.246 0.000 1.361 312 M HN 0.297 nan 8.290 nan 0.000 0.408 313 L N -0.637 120.822 121.223 0.393 0.000 2.127 313 L HA -0.193 4.146 4.340 -0.000 0.000 0.211 313 L C 1.591 178.623 176.870 0.271 0.000 1.089 313 L CA 2.002 56.966 54.840 0.205 0.000 0.757 313 L CB -1.147 40.801 42.059 -0.186 0.000 0.899 313 L HN 0.331 nan 8.230 nan 0.000 0.434 314 H N -2.242 117.016 119.070 0.314 0.000 2.542 314 H HA 0.358 4.914 4.556 -0.000 0.000 0.283 314 H C 1.744 177.170 175.328 0.163 0.000 1.059 314 H CA 0.510 56.702 56.048 0.241 0.000 1.162 314 H CB 0.239 30.073 29.762 0.121 0.000 1.539 314 H HN 0.192 nan 8.280 nan 0.000 0.543 315 A N 0.762 123.704 122.820 0.204 0.000 2.209 315 A HA -0.129 4.191 4.320 -0.000 0.000 0.212 315 A C 1.814 179.343 177.584 -0.092 0.000 1.158 315 A CA 1.204 53.172 52.037 -0.115 0.000 0.742 315 A CB -0.083 18.776 19.000 -0.234 0.000 0.790 315 A HN 0.561 nan 8.150 nan 0.000 0.472 316 D N -0.992 119.477 120.400 0.115 0.000 2.277 316 D HA 0.162 4.802 4.640 -0.000 0.000 0.208 316 D C 1.349 177.827 176.300 0.296 0.000 0.962 316 D CA 1.244 55.383 54.000 0.232 0.000 0.865 316 D CB -0.573 40.493 40.800 0.443 0.000 0.939 316 D HN 0.629 nan 8.370 nan 0.000 0.510 317 G N 0.688 109.636 108.800 0.247 0.000 2.557 317 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.292 317 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.292 317 G C 0.624 175.548 174.900 0.040 0.000 1.162 317 G CA 0.743 45.961 45.100 0.198 0.000 0.964 317 G HN 0.433 nan 8.290 nan 0.000 0.541 318 S N 0.504 115.965 115.700 -0.399 0.000 2.846 318 S HA 0.517 4.987 4.470 -0.000 0.000 0.249 318 S C -0.685 173.694 174.600 -0.369 0.000 1.028 318 S CA -0.099 57.865 58.200 -0.393 0.000 1.043 318 S CB 0.392 63.278 63.200 -0.522 0.000 0.990 318 S HN 0.519 nan 8.310 nan 0.000 0.564 319 Y N 0.305 120.679 120.300 0.124 0.000 2.446 319 Y HA 0.552 5.102 4.550 -0.000 0.000 0.345 319 Y C -0.424 175.175 175.900 -0.502 0.000 0.984 319 Y CA -1.609 56.429 58.100 -0.103 0.000 1.058 319 Y CB 0.776 39.245 38.460 0.014 0.000 1.220 319 Y HN 0.181 nan 8.280 nan 0.000 0.455 320 F N 3.603 123.165 119.950 -0.647 0.000 2.471 320 F HA 0.514 5.040 4.527 -0.001 0.000 0.365 320 F C -0.845 174.876 175.800 -0.132 0.000 1.095 320 F CA -0.623 57.048 58.000 -0.549 0.000 1.174 320 F CB 0.223 38.989 39.000 -0.390 0.000 1.105 320 F HN 0.188 nan 8.300 nan 0.000 0.535 321 V N 9.645 129.146 119.914 -0.688 0.000 2.409 321 V HA 0.247 4.367 4.120 -0.000 0.000 0.291 321 V C -1.717 173.936 176.094 -0.735 0.000 1.020 321 V CA -1.317 60.685 62.300 -0.497 0.000 0.848 321 V CB 1.541 33.271 31.823 -0.155 0.000 0.990 321 V HN 0.648 nan 8.190 nan 0.000 0.430 322 P HA 0.031 nan 4.420 nan 0.000 0.217 322 P C 0.197 177.401 177.300 -0.160 0.000 1.150 322 P CA 0.992 63.881 63.100 -0.352 0.000 0.832 322 P CB 0.386 32.023 31.700 -0.105 0.000 0.787 323 A N -0.528 122.226 122.820 -0.110 0.000 2.353 323 A HA 0.690 5.009 4.320 -0.000 0.000 0.299 323 A C -1.434 176.140 177.584 -0.016 0.000 1.089 323 A CA -0.497 51.520 52.037 -0.033 0.000 0.736 323 A CB 0.558 19.549 19.000 -0.014 0.000 1.195 323 A HN 0.115 nan 8.150 nan 0.000 0.447 324 L N 2.207 123.456 121.223 0.043 0.000 2.455 324 L HA 0.775 5.115 4.340 -0.000 0.000 0.264 324 L C -0.580 176.371 176.870 0.135 0.000 0.968 324 L CA -0.497 54.388 54.840 0.076 0.000 0.827 324 L CB 1.809 43.913 42.059 0.075 0.000 1.317 324 L HN 0.820 nan 8.230 nan 0.000 0.407 325 R N 4.880 125.454 120.500 0.124 0.000 2.502 325 R HA 0.617 4.957 4.340 -0.000 0.000 0.298 325 R C -1.864 174.522 176.300 0.143 0.000 1.018 325 R CA -0.548 55.639 56.100 0.146 0.000 0.899 325 R CB 1.318 31.676 30.300 0.096 0.000 1.181 325 R HN 0.591 nan 8.270 nan 0.000 0.444 326 I N 2.413 123.063 120.570 0.133 0.000 2.412 326 I HA 0.301 4.471 4.170 -0.000 0.000 0.296 326 I C 0.072 176.147 176.117 -0.070 0.000 0.987 326 I CA -0.307 60.994 61.300 0.001 0.000 1.180 326 I CB 1.817 39.742 38.000 -0.125 0.000 1.340 326 I HN 0.517 nan 8.210 nan 0.000 0.455 327 E N 4.545 124.696 120.200 -0.083 0.000 2.376 327 E HA 0.268 4.618 4.350 -0.000 0.000 0.236 327 E C -1.104 175.411 176.600 -0.142 0.000 0.962 327 E CA -0.205 56.135 56.400 -0.101 0.000 0.768 327 E CB 0.957 30.661 29.700 0.007 0.000 1.236 327 E HN 0.596 nan 8.360 nan 0.000 0.431 328 S N 3.439 118.997 115.700 -0.236 0.000 2.475 328 S HA 0.236 4.706 4.470 -0.000 0.000 0.281 328 S C -0.710 173.752 174.600 -0.230 0.000 1.198 328 S CA -0.519 57.612 58.200 -0.116 0.000 1.063 328 S CB 0.362 63.506 63.200 -0.094 0.000 0.972 328 S HN 0.488 nan 8.310 nan 0.000 0.486 329 H N 4.712 123.787 119.070 0.009 0.000 2.504 329 H HA 0.324 4.880 4.556 -0.000 0.000 0.322 329 H C -0.168 175.134 175.328 -0.044 0.000 1.055 329 H CA -0.802 55.237 56.048 -0.015 0.000 1.231 329 H CB 0.926 30.682 29.762 -0.010 0.000 1.417 329 H HN 0.447 nan 8.280 nan 0.000 0.472 330 R N 4.192 124.737 120.500 0.076 0.000 2.825 330 R HA 0.245 4.585 4.340 -0.000 0.000 0.261 330 R C -0.078 176.326 176.300 0.173 0.000 1.341 330 R CA -0.395 55.754 56.100 0.082 0.000 1.353 330 R CB -0.319 30.043 30.300 0.103 0.000 1.191 330 R HN 0.464 nan 8.270 nan 0.000 0.590 331 L N 2.025 123.312 121.223 0.105 0.000 2.331 331 L HA 0.382 4.722 4.340 -0.000 0.000 0.278 331 L C 1.014 177.965 176.870 0.135 0.000 1.106 331 L CA -0.368 54.519 54.840 0.078 0.000 0.824 331 L CB 0.823 42.884 42.059 0.003 0.000 1.142 331 L HN 0.204 nan 8.230 nan 0.000 0.443 332 R N 2.217 122.741 120.500 0.040 0.000 2.297 332 R HA 0.443 4.782 4.340 -0.000 0.000 0.308 332 R C -0.696 175.611 176.300 0.012 0.000 1.029 332 R CA -0.238 55.877 56.100 0.024 0.000 0.929 332 R CB 1.115 31.190 30.300 -0.375 0.000 1.046 332 R HN 0.807 nan 8.270 nan 0.000 0.461 333 T N 0.226 114.814 114.554 0.057 0.000 2.906 333 T HA 0.241 4.591 4.350 -0.000 0.000 0.295 333 T C 0.018 174.771 174.700 0.088 0.000 1.061 333 T CA -1.003 61.106 62.100 0.015 0.000 1.000 333 T CB 1.426 70.247 68.868 -0.079 0.000 1.103 333 T HN 0.609 nan 8.240 nan 0.000 0.486 334 N N 1.637 120.385 118.700 0.079 0.000 2.926 334 N HA 0.190 4.929 4.740 -0.000 0.000 0.284 334 N C 0.225 175.794 175.510 0.099 0.000 1.303 334 N CA -0.148 52.990 53.050 0.148 0.000 1.062 334 N CB 0.013 38.561 38.487 0.101 0.000 1.389 334 N HN 0.763 nan 8.380 nan 0.000 0.538 335 T N -3.342 111.235 114.554 0.038 0.000 2.807 335 T HA 0.332 4.682 4.350 -0.000 0.000 0.277 335 T C -0.061 174.592 174.700 -0.080 0.000 1.006 335 T CA -1.026 61.044 62.100 -0.050 0.000 1.006 335 T CB 0.878 69.485 68.868 -0.434 0.000 1.274 335 T HN -0.158 nan 8.240 nan 0.000 0.569 336 Q N 1.574 121.309 119.800 -0.108 0.000 2.315 336 Q HA 0.315 4.654 4.340 -0.000 0.000 0.289 336 Q C 0.275 176.206 176.000 -0.116 0.000 1.044 336 Q CA 0.210 55.828 55.803 -0.309 0.000 0.920 336 Q CB 0.369 29.086 28.738 -0.036 0.000 1.214 336 Q HN 0.707 nan 8.270 nan 0.000 0.392 337 S N 3.803 119.459 115.700 -0.073 0.000 2.457 337 S HA 0.045 4.515 4.470 -0.000 0.000 0.294 337 S C -0.141 174.360 174.600 -0.166 0.000 1.201 337 S CA -0.528 57.587 58.200 -0.141 0.000 1.112 337 S CB -0.200 62.836 63.200 -0.272 0.000 1.018 337 S HN 0.512 nan 8.310 nan 0.000 0.511 338 N N 3.718 122.260 118.700 -0.263 0.000 2.518 338 N HA 0.093 4.833 4.740 -0.000 0.000 0.266 338 N C 0.219 175.503 175.510 -0.375 0.000 1.196 338 N CA 0.197 52.977 53.050 -0.450 0.000 0.947 338 N CB 1.254 39.154 38.487 -0.979 0.000 1.098 338 N HN 0.634 nan 8.380 nan 0.000 0.450 339 T N -0.240 114.220 114.554 -0.157 0.000 2.678 339 T HA 0.582 4.932 4.350 -0.000 0.000 0.260 339 T C -0.588 174.219 174.700 0.177 0.000 0.932 339 T CA -0.503 61.629 62.100 0.053 0.000 1.043 339 T CB 0.884 69.794 68.868 0.070 0.000 1.413 339 T HN 0.485 nan 8.240 nan 0.000 0.568 340 A N 0.721 123.703 122.820 0.271 0.000 2.425 340 A HA 0.610 4.929 4.320 -0.000 0.000 0.242 340 A C -0.775 177.070 177.584 0.435 0.000 1.077 340 A CA -0.158 52.115 52.037 0.393 0.000 0.781 340 A CB -0.459 18.894 19.000 0.589 0.000 1.020 340 A HN 0.727 nan 8.150 nan 0.000 0.494 341 F N 0.748 120.808 119.950 0.184 0.000 2.604 341 F HA 0.409 4.935 4.527 -0.000 0.000 0.316 341 F C 0.475 176.172 175.800 -0.171 0.000 1.136 341 F CA -1.068 56.937 58.000 0.008 0.000 0.989 341 F CB 1.304 40.106 39.000 -0.330 0.000 1.258 341 F HN 0.785 nan 8.300 nan 0.000 0.451 342 R N 3.548 124.266 120.500 0.364 0.000 4.098 342 R HA -0.046 4.293 4.340 -0.000 0.000 0.151 342 R C 0.948 176.928 176.300 -0.533 0.000 0.451 342 R CA 2.026 58.089 56.100 -0.060 0.000 0.858 342 R CB -0.625 29.681 30.300 0.010 0.000 1.051 342 R HN 1.126 nan 8.270 nan 0.000 0.263 343 G N 3.403 112.023 108.800 -0.300 0.000 2.307 343 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.210 343 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.210 343 G C 0.426 175.388 174.900 0.103 0.000 1.005 343 G CA 0.064 45.000 45.100 -0.273 0.000 0.634 343 G HN 0.803 nan 8.290 nan 0.000 0.496 344 F N 0.242 120.135 119.950 -0.095 0.000 3.048 344 F HA -0.070 4.457 4.527 -0.000 0.000 0.287 344 F C 1.821 177.624 175.800 0.004 0.000 0.796 344 F CA 2.995 61.002 58.000 0.012 0.000 1.111 344 F CB -0.966 38.069 39.000 0.059 0.000 1.320 344 F HN 1.982 nan 8.300 nan 0.000 0.430 345 G N -1.590 107.127 108.800 -0.138 0.000 2.380 345 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.197 345 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.197 345 G C 1.461 176.249 174.900 -0.187 0.000 1.001 345 G CA 0.546 45.529 45.100 -0.195 0.000 0.668 345 G HN 1.302 nan 8.290 nan 0.000 0.483 346 G N 1.926 110.668 108.800 -0.097 0.000 2.491 346 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.218 346 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.218 346 G C 0.132 174.968 174.900 -0.106 0.000 1.180 346 G CA 2.137 47.120 45.100 -0.194 0.000 0.774 346 G HN 0.524 nan 8.290 nan 0.000 0.562 347 P HA -0.123 nan 4.420 nan 0.000 0.216 347 P C 1.831 179.176 177.300 0.075 0.000 1.153 347 P CA 1.530 64.626 63.100 -0.006 0.000 0.858 347 P CB -0.039 31.483 31.700 -0.297 0.000 0.789 348 Q N -1.042 118.662 119.800 -0.161 0.000 2.046 348 Q HA -0.028 4.312 4.340 -0.000 0.000 0.200 348 Q C 2.470 178.231 176.000 -0.399 0.000 0.975 348 Q CA 1.914 57.514 55.803 -0.338 0.000 0.836 348 Q CB -1.510 26.585 28.738 -1.072 0.000 0.896 348 Q HN 0.231 nan 8.270 nan 0.000 0.428 349 G N 0.247 108.791 108.800 -0.427 0.000 2.422 349 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 349 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 349 G C 1.457 176.315 174.900 -0.071 0.000 1.146 349 G CA 0.836 45.785 45.100 -0.253 0.000 0.769 349 G HN 0.428 nan 8.290 nan 0.000 0.547 350 A N 0.328 123.168 122.820 0.033 0.000 1.897 350 A HA 0.148 4.468 4.320 -0.000 0.000 0.215 350 A C 2.314 179.972 177.584 0.124 0.000 1.181 350 A CA 1.489 53.596 52.037 0.117 0.000 0.620 350 A CB -0.402 18.697 19.000 0.164 0.000 0.821 350 A HN 0.399 nan 8.150 nan 0.000 0.443 351 L N 0.327 121.625 121.223 0.125 0.000 2.083 351 L HA -0.036 4.303 4.340 -0.000 0.000 0.209 351 L C 2.376 179.372 176.870 0.210 0.000 1.083 351 L CA 2.214 57.151 54.840 0.162 0.000 0.752 351 L CB -1.033 41.126 42.059 0.167 0.000 0.899 351 L HN 0.309 nan 8.230 nan 0.000 0.433 352 G N -0.743 108.181 108.800 0.207 0.000 2.442 352 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.219 352 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.219 352 G C 1.542 176.590 174.900 0.246 0.000 1.141 352 G CA 1.160 46.447 45.100 0.311 0.000 0.763 352 G HN 0.420 nan 8.290 nan 0.000 0.554 353 M N 0.634 120.285 119.600 0.085 0.000 2.123 353 M HA 0.107 4.587 4.480 -0.000 0.000 0.263 353 M C 2.183 178.592 176.300 0.182 0.000 1.069 353 M CA 1.211 56.671 55.300 0.267 0.000 1.133 353 M CB -0.381 32.374 32.600 0.260 0.000 1.356 353 M HN 0.076 nan 8.290 nan 0.000 0.415 354 E N -0.119 120.183 120.200 0.170 0.000 2.265 354 E HA -0.150 4.199 4.350 -0.000 0.000 0.196 354 E C 2.168 178.757 176.600 -0.019 0.000 0.996 354 E CA 0.686 57.167 56.400 0.135 0.000 0.832 354 E CB -0.337 29.468 29.700 0.174 0.000 0.756 354 E HN 0.470 nan 8.360 nan 0.000 0.491 355 R N 0.210 120.620 120.500 -0.149 0.000 2.066 355 R HA 0.110 4.449 4.340 -0.000 0.000 0.224 355 R C 2.197 178.163 176.300 -0.557 0.000 1.122 355 R CA 1.003 56.864 56.100 -0.398 0.000 0.974 355 R CB -0.462 29.360 30.300 -0.798 0.000 0.871 355 R HN 0.129 nan 8.270 nan 0.000 0.435 356 A N 1.075 123.482 122.820 -0.689 0.000 1.883 356 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 356 A C 2.184 179.609 177.584 -0.265 0.000 1.186 356 A CA 1.341 52.961 52.037 -0.695 0.000 0.624 356 A CB -0.558 18.251 19.000 -0.319 0.000 0.822 356 A HN 0.257 nan 8.150 nan 0.000 0.444 357 I N -0.583 119.877 120.570 -0.183 0.000 2.394 357 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 357 I C 2.254 178.291 176.117 -0.134 0.000 1.136 357 I CA 1.944 63.126 61.300 -0.197 0.000 1.425 357 I CB -0.036 37.760 38.000 -0.340 0.000 1.079 357 I HN 0.491 nan 8.210 nan 0.000 0.425 358 E N -0.321 119.831 120.200 -0.079 0.000 2.046 358 E HA -0.309 4.041 4.350 -0.000 0.000 0.190 358 E C 2.241 178.885 176.600 0.073 0.000 0.982 358 E CA 1.500 57.914 56.400 0.023 0.000 0.800 358 E CB -0.310 29.407 29.700 0.029 0.000 0.756 358 E HN 0.582 nan 8.360 nan 0.000 0.449 359 H N -0.493 118.489 119.070 -0.147 0.000 2.422 359 H HA -0.081 4.475 4.556 -0.000 0.000 0.298 359 H C 1.809 176.973 175.328 -0.273 0.000 1.098 359 H CA 1.606 57.399 56.048 -0.425 0.000 1.315 359 H CB -0.200 29.268 29.762 -0.490 0.000 1.382 359 H HN 0.269 nan 8.280 nan 0.000 0.523 360 L N -0.185 120.919 121.223 -0.199 0.000 2.044 360 L HA 0.051 4.390 4.340 -0.000 0.000 0.205 360 L C 2.536 179.294 176.870 -0.186 0.000 1.075 360 L CA 1.714 56.430 54.840 -0.206 0.000 0.747 360 L CB -1.067 40.904 42.059 -0.147 0.000 0.903 360 L HN 0.315 nan 8.230 nan 0.000 0.435 361 A N -0.427 122.316 122.820 -0.128 0.000 1.883 361 A HA -0.205 4.114 4.320 -0.000 0.000 0.217 361 A C 2.347 179.894 177.584 -0.061 0.000 1.186 361 A CA 1.624 53.604 52.037 -0.095 0.000 0.624 361 A CB -0.548 18.424 19.000 -0.047 0.000 0.822 361 A HN 0.406 nan 8.150 nan 0.000 0.444 362 R N -0.800 119.704 120.500 0.007 0.000 2.073 362 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 362 R C 2.415 178.703 176.300 -0.020 0.000 1.134 362 R CA 1.442 57.590 56.100 0.080 0.000 0.952 362 R CB -1.417 29.077 30.300 0.324 0.000 0.850 362 R HN 0.539 nan 8.270 nan 0.000 0.433 363 G N 1.790 110.500 108.800 -0.151 0.000 2.422 363 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 363 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 363 G C 1.519 176.343 174.900 -0.125 0.000 1.146 363 G CA 0.916 45.903 45.100 -0.188 0.000 0.769 363 G HN 0.444 nan 8.290 nan 0.000 0.547 364 M N -0.750 118.745 119.600 -0.174 0.000 2.495 364 M HA 0.452 4.932 4.480 -0.000 0.000 0.237 364 M C 1.304 177.497 176.300 -0.179 0.000 1.131 364 M CA 0.740 55.890 55.300 -0.250 0.000 1.032 364 M CB 0.308 32.526 32.600 -0.636 0.000 1.513 364 M HN 0.298 nan 8.290 nan 0.000 0.488 365 G N 2.319 111.054 108.800 -0.109 0.000 2.298 365 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.287 365 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.287 365 G C -0.541 174.315 174.900 -0.074 0.000 1.075 365 G CA -0.140 44.920 45.100 -0.067 0.000 0.960 365 G HN 0.551 nan 8.290 nan 0.000 0.502 366 R N -0.366 120.083 120.500 -0.085 0.000 2.803 366 R HA 0.407 4.747 4.340 -0.000 0.000 0.276 366 R C -0.491 175.786 176.300 -0.038 0.000 0.978 366 R CA -0.983 55.074 56.100 -0.073 0.000 0.939 366 R CB 1.241 31.475 30.300 -0.110 0.000 1.179 366 R HN 0.313 nan 8.270 nan 0.000 0.472 367 D N 2.136 122.524 120.400 -0.021 0.000 2.450 367 D HA 0.039 4.678 4.640 -0.000 0.000 0.247 367 D C -1.516 174.793 176.300 0.016 0.000 1.162 367 D CA -1.313 52.694 54.000 0.011 0.000 0.879 367 D CB 1.104 41.918 40.800 0.024 0.000 1.163 367 D HN 0.073 nan 8.370 nan 0.000 0.472 368 P HA -0.175 nan 4.420 nan 0.000 0.215 368 P C 0.950 178.276 177.300 0.044 0.000 1.157 368 P CA 2.013 65.140 63.100 0.045 0.000 0.874 368 P CB 0.026 31.786 31.700 0.101 0.000 0.790 369 A N -0.242 122.642 122.820 0.107 0.000 1.933 369 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 369 A C 2.204 179.804 177.584 0.027 0.000 1.175 369 A CA 1.541 53.644 52.037 0.109 0.000 0.628 369 A CB -1.022 18.132 19.000 0.257 0.000 0.814 369 A HN 0.082 nan 8.150 nan 0.000 0.444 370 E N -0.520 119.692 120.200 0.019 0.000 2.047 370 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 370 E C 1.984 178.530 176.600 -0.090 0.000 0.987 370 E CA 1.011 57.394 56.400 -0.028 0.000 0.799 370 E CB -0.492 29.197 29.700 -0.018 0.000 0.752 370 E HN 0.512 nan 8.360 nan 0.000 0.449 371 L N 1.056 122.221 121.223 -0.097 0.000 2.056 371 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 371 L C 2.406 179.145 176.870 -0.218 0.000 1.078 371 L CA 1.542 56.294 54.840 -0.146 0.000 0.749 371 L CB -0.126 41.847 42.059 -0.144 0.000 0.901 371 L HN -0.029 nan 8.230 nan 0.000 0.433 372 R N -1.110 119.264 120.500 -0.209 0.000 2.066 372 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 372 R C 2.251 178.115 176.300 -0.727 0.000 1.131 372 R CA 1.232 57.187 56.100 -0.243 0.000 0.955 372 R CB -0.646 29.688 30.300 0.056 0.000 0.851 372 R HN 0.443 nan 8.270 nan 0.000 0.432 373 A N 1.160 123.578 122.820 -0.671 0.000 1.972 373 A HA -0.146 4.173 4.320 -0.000 0.000 0.219 373 A C 2.095 179.358 177.584 -0.535 0.000 1.169 373 A CA 1.027 52.580 52.037 -0.807 0.000 0.635 373 A CB -0.467 18.376 19.000 -0.262 0.000 0.810 373 A HN 0.294 nan 8.150 nan 0.000 0.446 374 L N -0.885 120.144 121.223 -0.323 0.000 2.362 374 L HA -0.032 4.308 4.340 -0.000 0.000 0.219 374 L C 1.028 177.813 176.870 -0.141 0.000 1.134 374 L CA 1.021 55.754 54.840 -0.177 0.000 0.807 374 L CB -0.034 41.949 42.059 -0.127 0.000 0.927 374 L HN 0.331 nan 8.230 nan 0.000 0.447 375 N N -1.421 117.164 118.700 -0.192 0.000 2.238 375 N HA 0.160 4.899 4.740 -0.000 0.000 0.235 375 N C -0.395 175.218 175.510 0.172 0.000 1.209 375 N CA -0.140 52.906 53.050 -0.007 0.000 0.879 375 N CB 0.465 38.935 38.487 -0.028 0.000 1.136 375 N HN 0.135 nan 8.380 nan 0.000 0.517 376 F N 0.570 120.588 119.950 0.114 0.000 2.444 376 F HA 0.145 4.672 4.527 -0.000 0.000 0.331 376 F C 0.835 176.616 175.800 -0.031 0.000 1.167 376 F CA -0.822 57.189 58.000 0.019 0.000 1.262 376 F CB 0.445 39.441 39.000 -0.008 0.000 1.196 376 F HN -0.012 nan 8.300 nan 0.000 0.583 377 Y N 1.158 121.593 120.300 0.225 0.000 2.597 377 Y HA -0.068 4.482 4.550 -0.000 0.000 0.336 377 Y C 0.682 176.594 175.900 0.019 0.000 1.216 377 Y CA -0.325 57.830 58.100 0.092 0.000 1.463 377 Y CB -0.066 38.409 38.460 0.026 0.000 1.303 377 Y HN 0.405 nan 8.280 nan 0.000 0.576 378 D N 4.672 125.145 120.400 0.123 0.000 2.472 378 D HA 0.051 4.691 4.640 -0.000 0.000 0.237 378 D C -2.231 174.082 176.300 0.022 0.000 1.141 378 D CA -0.913 53.111 54.000 0.039 0.000 0.875 378 D CB 0.488 41.278 40.800 -0.017 0.000 1.192 378 D HN 0.260 nan 8.370 nan 0.000 0.450 379 P HA 0.183 nan 4.420 nan 0.000 0.272 379 P C -2.425 174.873 177.300 -0.003 0.000 1.223 379 P CA -0.931 62.155 63.100 -0.023 0.000 0.784 379 P CB -0.128 31.562 31.700 -0.017 0.000 0.923 380 P HA 0.328 nan 4.420 nan 0.000 0.274 380 P C -0.489 176.821 177.300 0.018 0.000 1.231 380 P CA 0.361 63.471 63.100 0.017 0.000 0.790 380 P CB 0.286 32.005 31.700 0.031 0.000 0.951 399 K N 2.490 122.889 120.400 -0.002 0.000 2.379 399 K HA 0.161 4.480 4.320 -0.000 0.000 0.284 399 K C -0.817 175.774 176.600 -0.016 0.000 1.044 399 K CA 0.689 56.974 56.287 -0.004 0.000 0.974 399 K CB 0.564 33.061 32.500 -0.005 0.000 0.962 399 K HN 0.033 nan 8.250 nan 0.000 0.474 400 T N 4.110 118.659 114.554 -0.008 0.000 2.929 400 T HA 0.212 4.562 4.350 -0.000 0.000 0.284 400 T C -0.069 174.618 174.700 -0.021 0.000 1.014 400 T CA -0.593 61.498 62.100 -0.014 0.000 1.051 400 T CB 1.284 70.156 68.868 0.007 0.000 1.028 400 T HN 0.488 nan 8.240 nan 0.000 0.485 401 Q N 1.341 121.111 119.800 -0.051 0.000 2.394 401 Q HA 0.429 4.768 4.340 -0.000 0.000 0.248 401 Q C 0.436 176.511 176.000 0.125 0.000 0.992 401 Q CA -0.297 55.476 55.803 -0.051 0.000 0.888 401 Q CB 0.644 29.270 28.738 -0.187 0.000 1.257 401 Q HN 0.797 nan 8.270 nan 0.000 0.462 402 T N -2.383 112.339 114.554 0.281 0.000 2.930 402 T HA 0.530 4.880 4.350 -0.000 0.000 0.290 402 T C 0.230 175.094 174.700 0.274 0.000 1.052 402 T CA -0.900 61.307 62.100 0.179 0.000 1.017 402 T CB 1.470 70.396 68.868 0.097 0.000 1.137 402 T HN 0.647 nan 8.240 nan 0.000 0.511 403 T N -0.883 113.626 114.554 -0.075 0.000 2.732 403 T HA 0.190 4.539 4.350 -0.000 0.000 0.287 403 T C 1.541 176.153 174.700 -0.147 0.000 0.993 403 T CA -0.144 61.844 62.100 -0.187 0.000 0.966 403 T CB 0.058 68.334 68.868 -0.985 0.000 1.047 403 T HN 0.917 nan 8.240 nan 0.000 0.527 404 H N -0.125 118.904 119.070 -0.069 0.000 2.491 404 H HA -0.082 4.474 4.556 -0.000 0.000 0.290 404 H C 1.258 176.652 175.328 0.109 0.000 1.050 404 H CA 1.311 57.400 56.048 0.068 0.000 1.309 404 H CB -0.804 29.076 29.762 0.195 0.000 1.392 404 H HN 0.908 nan 8.280 nan 0.000 0.554 405 Y N -0.648 119.435 120.300 -0.362 0.000 2.532 405 Y HA 0.507 5.057 4.550 -0.001 0.000 0.283 405 Y C 1.365 177.179 175.900 -0.144 0.000 1.181 405 Y CA -0.640 57.294 58.100 -0.276 0.000 1.256 405 Y CB -0.144 38.070 38.460 -0.409 0.000 1.112 405 Y HN 0.198 nan 8.280 nan 0.000 0.521 406 G N 1.298 109.991 108.800 -0.180 0.000 2.314 406 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.292 406 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.292 406 G C -0.319 174.528 174.900 -0.088 0.000 1.059 406 G CA 0.406 45.456 45.100 -0.082 0.000 0.982 406 G HN 0.684 nan 8.290 nan 0.000 0.505 407 Q N 0.092 119.759 119.800 -0.221 0.000 2.333 407 Q HA 0.447 4.786 4.340 -0.000 0.000 0.265 407 Q C 0.298 176.258 176.000 -0.066 0.000 0.989 407 Q CA -0.753 54.992 55.803 -0.098 0.000 0.842 407 Q CB 0.882 29.604 28.738 -0.026 0.000 1.262 407 Q HN 0.528 nan 8.270 nan 0.000 0.451 408 E N 2.113 122.315 120.200 0.004 0.000 2.465 408 E HA 0.026 4.376 4.350 -0.000 0.000 0.260 408 E C -0.767 175.849 176.600 0.027 0.000 0.980 408 E CA 0.177 56.587 56.400 0.018 0.000 0.927 408 E CB 0.883 30.604 29.700 0.035 0.000 0.934 408 E HN 0.349 nan 8.360 nan 0.000 0.459 409 V N 2.684 122.571 119.914 -0.045 0.000 2.257 409 V HA 0.344 4.464 4.120 -0.000 0.000 0.269 409 V C 0.384 176.476 176.094 -0.003 0.000 1.040 409 V CA -0.242 61.997 62.300 -0.101 0.000 0.813 409 V CB 0.863 32.333 31.823 -0.589 0.000 1.065 409 V HN 0.761 nan 8.190 nan 0.000 0.457 410 A N 2.931 125.792 122.820 0.067 0.000 2.610 410 A HA 0.367 4.687 4.320 -0.000 0.000 0.291 410 A C 0.760 178.399 177.584 0.092 0.000 1.116 410 A CA -0.018 52.056 52.037 0.062 0.000 0.963 410 A CB 0.086 19.116 19.000 0.050 0.000 1.220 410 A HN 0.713 nan 8.150 nan 0.000 0.530 411 D N -1.517 118.976 120.400 0.155 0.000 2.479 411 D HA 0.118 4.758 4.640 -0.000 0.000 0.218 411 D C 0.102 176.516 176.300 0.190 0.000 1.177 411 D CA -0.311 53.813 54.000 0.206 0.000 0.830 411 D CB -0.974 40.006 40.800 0.300 0.000 1.014 411 D HN 0.102 nan 8.370 nan 0.000 0.503 412 C N 1.767 121.071 119.300 0.007 0.000 2.464 412 C HA 0.370 4.830 4.460 -0.000 0.000 0.370 412 C C 1.833 176.508 174.990 -0.524 0.000 1.267 412 C CA -0.385 58.393 59.018 -0.400 0.000 1.781 412 C CB -0.427 27.188 27.740 -0.209 0.000 2.431 412 C HN 0.346 nan 8.230 nan 0.000 0.556 413 V N 5.166 124.521 119.914 -0.931 0.000 3.565 413 V HA 0.122 4.242 4.120 -0.000 0.000 0.260 413 V C 1.829 177.482 176.094 -0.734 0.000 1.231 413 V CA 0.753 62.658 62.300 -0.658 0.000 1.100 413 V CB -0.862 30.577 31.823 -0.639 0.000 0.807 413 V HN 0.864 nan 8.190 nan 0.000 0.454 414 L N 1.731 122.410 121.223 -0.906 0.000 2.171 414 L HA -0.190 4.150 4.340 -0.000 0.000 0.216 414 L C 2.699 179.282 176.870 -0.479 0.000 1.084 414 L CA 2.088 56.446 54.840 -0.804 0.000 0.771 414 L CB -1.070 40.319 42.059 -1.117 0.000 0.890 414 L HN 0.558 nan 8.230 nan 0.000 0.437 415 G N -0.798 107.865 108.800 -0.228 0.000 2.587 415 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 415 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 415 G C 1.376 176.239 174.900 -0.062 0.000 1.240 415 G CA 0.800 45.908 45.100 0.013 0.000 0.794 415 G HN 0.377 nan 8.290 nan 0.000 0.580 416 E N -0.262 119.859 120.200 -0.131 0.000 2.097 416 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 416 E C 2.521 179.017 176.600 -0.173 0.000 1.000 416 E CA 0.941 57.295 56.400 -0.077 0.000 0.804 416 E CB -0.197 29.526 29.700 0.039 0.000 0.740 416 E HN 0.398 nan 8.360 nan 0.000 0.454 417 L N 0.350 121.257 121.223 -0.526 0.000 1.976 417 L HA -0.205 4.134 4.340 -0.000 0.000 0.209 417 L C 2.428 179.177 176.870 -0.200 0.000 1.071 417 L CA 1.118 55.628 54.840 -0.549 0.000 0.746 417 L CB -0.207 41.348 42.059 -0.839 0.000 0.890 417 L HN -0.010 nan 8.230 nan 0.000 0.432 418 V N -0.231 119.581 119.914 -0.170 0.000 2.332 418 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 418 V C 2.533 178.616 176.094 -0.018 0.000 1.055 418 V CA 2.320 64.585 62.300 -0.057 0.000 1.038 418 V CB -0.928 30.945 31.823 0.082 0.000 0.651 418 V HN 0.605 nan 8.190 nan 0.000 0.450 419 T N -0.380 114.181 114.554 0.013 0.000 2.652 419 T HA -0.303 4.047 4.350 -0.000 0.000 0.267 419 T C 2.026 176.753 174.700 0.045 0.000 1.039 419 T CA 1.990 64.113 62.100 0.038 0.000 1.153 419 T CB -0.321 68.577 68.868 0.051 0.000 0.863 419 T HN 0.376 nan 8.240 nan 0.000 0.428 420 R N 0.233 120.770 120.500 0.062 0.000 2.091 420 R HA -0.062 4.278 4.340 -0.000 0.000 0.238 420 R C 2.439 178.779 176.300 0.068 0.000 1.136 420 R CA 1.183 57.341 56.100 0.096 0.000 0.959 420 R CB -0.483 29.930 30.300 0.189 0.000 0.856 420 R HN 0.282 nan 8.270 nan 0.000 0.437 421 L N 1.206 122.451 121.223 0.035 0.000 1.994 421 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 421 L C 2.092 178.957 176.870 -0.009 0.000 1.071 421 L CA 1.803 56.648 54.840 0.008 0.000 0.745 421 L CB -0.466 41.575 42.059 -0.030 0.000 0.892 421 L HN 0.219 nan 8.230 nan 0.000 0.431 422 Q N -0.758 119.015 119.800 -0.045 0.000 2.152 422 Q HA -0.291 4.049 4.340 -0.000 0.000 0.206 422 Q C 2.239 178.297 176.000 0.097 0.000 0.985 422 Q CA 1.930 57.725 55.803 -0.013 0.000 0.863 422 Q CB -0.135 28.587 28.738 -0.027 0.000 0.904 422 Q HN 0.318 nan 8.270 nan 0.000 0.422 423 K N 0.360 120.804 120.400 0.073 0.000 2.025 423 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 423 K C 2.150 178.793 176.600 0.070 0.000 1.049 423 K CA 1.722 58.055 56.287 0.077 0.000 0.933 423 K CB -0.159 32.381 32.500 0.067 0.000 0.714 423 K HN 0.236 nan 8.250 nan 0.000 0.438 424 S N -0.800 114.937 115.700 0.062 0.000 2.461 424 S HA 0.075 4.545 4.470 -0.000 0.000 0.228 424 S C 1.934 176.568 174.600 0.057 0.000 1.005 424 S CA 0.554 58.787 58.200 0.054 0.000 0.942 424 S CB 0.100 63.330 63.200 0.050 0.000 0.776 424 S HN 0.248 nan 8.310 nan 0.000 0.514 425 A N 1.369 124.229 122.820 0.068 0.000 2.251 425 A HA 0.318 4.638 4.320 -0.000 0.000 0.209 425 A C 0.917 178.568 177.584 0.111 0.000 1.187 425 A CA 0.299 52.384 52.037 0.080 0.000 0.823 425 A CB -0.772 18.273 19.000 0.075 0.000 0.846 425 A HN 0.541 nan 8.150 nan 0.000 0.486 426 N N -2.615 116.153 118.700 0.112 0.000 2.756 426 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 426 N C -0.005 175.587 175.510 0.137 0.000 1.062 426 N CA 0.811 53.921 53.050 0.100 0.000 0.696 426 N CB -2.112 36.409 38.487 0.057 0.000 0.946 426 N HN 0.428 nan 8.380 nan 0.000 0.548 427 F N 0.063 120.019 119.950 0.011 0.000 2.146 427 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 427 F C 2.167 177.972 175.800 0.008 0.000 1.096 427 F CA 1.975 59.981 58.000 0.010 0.000 1.275 427 F CB -0.363 38.648 39.000 0.019 0.000 1.008 427 F HN 0.251 nan 8.300 nan 0.000 0.480 428 T N -1.117 113.437 114.554 -0.000 0.000 2.857 428 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 428 T C 1.894 176.534 174.700 -0.100 0.000 1.048 428 T CA 1.758 63.800 62.100 -0.096 0.000 1.139 428 T CB -0.523 68.347 68.868 0.004 0.000 0.874 428 T HN 0.228 nan 8.240 nan 0.000 0.455 429 T N 1.916 116.443 114.554 -0.044 0.000 2.737 429 T HA -0.021 4.328 4.350 -0.000 0.000 0.265 429 T C 2.163 176.826 174.700 -0.062 0.000 1.038 429 T CA 0.813 62.891 62.100 -0.037 0.000 1.144 429 T CB -0.124 68.740 68.868 -0.006 0.000 0.866 429 T HN 0.272 nan 8.240 nan 0.000 0.434 430 R N 0.511 120.968 120.500 -0.072 0.000 2.096 430 R HA 0.024 4.364 4.340 -0.000 0.000 0.235 430 R C 2.682 178.898 176.300 -0.140 0.000 1.127 430 R CA 1.078 57.127 56.100 -0.086 0.000 0.968 430 R CB -0.191 30.077 30.300 -0.054 0.000 0.861 430 R HN 0.240 nan 8.270 nan 0.000 0.440 431 R N 0.368 120.723 120.500 -0.242 0.000 2.075 431 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 431 R C 2.067 178.277 176.300 -0.150 0.000 1.126 431 R CA 1.530 57.468 56.100 -0.270 0.000 0.963 431 R CB -0.160 29.858 30.300 -0.470 0.000 0.858 431 R HN 0.191 nan 8.270 nan 0.000 0.435 432 A N -0.071 122.677 122.820 -0.120 0.000 2.014 432 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 432 A C 1.899 179.465 177.584 -0.030 0.000 1.163 432 A CA 1.194 53.192 52.037 -0.064 0.000 0.652 432 A CB -0.304 18.664 19.000 -0.054 0.000 0.808 432 A HN 0.474 nan 8.150 nan 0.000 0.449 433 E N -0.267 119.913 120.200 -0.033 0.000 2.152 433 E HA -0.080 4.269 4.350 -0.000 0.000 0.192 433 E C 1.689 178.312 176.600 0.038 0.000 0.983 433 E CA 0.838 57.239 56.400 0.002 0.000 0.818 433 E CB -0.130 29.561 29.700 -0.015 0.000 0.758 433 E HN 0.688 nan 8.360 nan 0.000 0.467 434 I N 0.525 121.094 120.570 -0.002 0.000 2.353 434 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 434 I C 2.451 178.626 176.117 0.098 0.000 1.119 434 I CA 0.688 62.009 61.300 0.036 0.000 1.417 434 I CB -0.217 37.751 38.000 -0.053 0.000 1.078 434 I HN 0.136 nan 8.210 nan 0.000 0.421 435 A N 1.031 123.872 122.820 0.035 0.000 1.892 435 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 435 A C 2.541 180.157 177.584 0.054 0.000 1.188 435 A CA 2.256 54.311 52.037 0.030 0.000 0.631 435 A CB -0.913 18.084 19.000 -0.004 0.000 0.822 435 A HN 0.440 nan 8.150 nan 0.000 0.447 436 A N -1.852 121.007 122.820 0.065 0.000 1.858 436 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 436 A C 2.027 179.671 177.584 0.100 0.000 1.190 436 A CA 1.553 53.629 52.037 0.064 0.000 0.617 436 A CB -1.026 18.010 19.000 0.060 0.000 0.827 436 A HN 0.828 nan 8.150 nan 0.000 0.443 437 W N 1.254 122.534 121.300 -0.033 0.000 2.338 437 W HA -0.220 4.439 4.660 -0.000 0.000 0.304 437 W C 1.970 178.469 176.519 -0.033 0.000 1.212 437 W CA 2.116 59.442 57.345 -0.031 0.000 1.264 437 W CB -0.187 29.254 29.460 -0.031 0.000 1.142 437 W HN 0.366 nan 8.180 nan 0.000 0.512 438 N N 0.058 118.925 118.700 0.277 0.000 2.043 438 N HA -0.214 4.526 4.740 -0.000 0.000 0.193 438 N C 2.008 177.494 175.510 -0.039 0.000 1.037 438 N CA 2.470 55.607 53.050 0.145 0.000 0.851 438 N CB -1.185 37.387 38.487 0.142 0.000 1.027 438 N HN 0.278 nan 8.380 nan 0.000 0.422 439 S N -0.926 114.755 115.700 -0.032 0.000 2.419 439 S HA -0.076 4.393 4.470 -0.000 0.000 0.233 439 S C 1.717 176.250 174.600 -0.112 0.000 1.016 439 S CA 1.382 59.546 58.200 -0.060 0.000 0.974 439 S CB -0.764 62.414 63.200 -0.037 0.000 0.786 439 S HN 0.246 nan 8.310 nan 0.000 0.492 440 T N 1.461 115.913 114.554 -0.170 0.000 3.113 440 T HA 0.207 4.557 4.350 -0.000 0.000 0.256 440 T C 0.377 174.884 174.700 -0.321 0.000 1.131 440 T CA 0.219 62.182 62.100 -0.228 0.000 1.074 440 T CB -0.411 68.310 68.868 -0.245 0.000 0.944 440 T HN 0.492 nan 8.240 nan 0.000 0.516 441 N N 0.512 118.992 118.700 -0.366 0.000 2.404 441 N HA 0.458 5.198 4.740 -0.000 0.000 0.297 441 N C 1.007 176.399 175.510 -0.196 0.000 1.163 441 N CA -0.858 51.969 53.050 -0.371 0.000 0.864 441 N CB 1.294 39.418 38.487 -0.604 0.000 1.247 441 N HN 0.153 nan 8.380 nan 0.000 0.510 442 R N -1.014 119.395 120.500 -0.153 0.000 2.568 442 R HA 0.275 4.615 4.340 -0.000 0.000 0.254 442 R C 0.040 176.301 176.300 -0.065 0.000 0.925 442 R CA 0.011 56.056 56.100 -0.091 0.000 1.025 442 R CB 0.237 30.490 30.300 -0.078 0.000 1.428 442 R HN 0.377 nan 8.270 nan 0.000 0.573 443 T N 0.982 115.494 114.554 -0.069 0.000 3.056 443 T HA 0.363 4.713 4.350 -0.000 0.000 0.243 443 T C 0.433 175.130 174.700 -0.005 0.000 0.995 443 T CA 0.147 62.225 62.100 -0.035 0.000 1.091 443 T CB 0.305 69.153 68.868 -0.033 0.000 0.990 443 T HN -0.044 nan 8.240 nan 0.000 0.464 444 L N 1.648 122.874 121.223 0.005 0.000 2.309 444 L HA 0.780 5.120 4.340 -0.000 0.000 0.282 444 L C -0.414 176.575 176.870 0.199 0.000 1.036 444 L CA -1.024 53.890 54.840 0.124 0.000 0.806 444 L CB 1.378 43.589 42.059 0.253 0.000 1.220 444 L HN 0.113 nan 8.230 nan 0.000 0.429 445 A N 3.650 126.604 122.820 0.224 0.000 2.371 445 A HA 0.747 5.067 4.320 -0.000 0.000 0.311 445 A C -0.633 177.061 177.584 0.184 0.000 1.068 445 A CA -0.702 51.483 52.037 0.247 0.000 0.744 445 A CB 1.344 20.395 19.000 0.084 0.000 1.239 445 A HN 0.764 nan 8.150 nan 0.000 0.435 446 R N 0.235 120.834 120.500 0.166 0.000 2.549 446 R HA 0.671 5.010 4.340 -0.000 0.000 0.267 446 R C 0.214 176.475 176.300 -0.064 0.000 1.045 446 R CA 0.005 56.055 56.100 -0.083 0.000 1.115 446 R CB 1.857 31.973 30.300 -0.308 0.000 1.121 446 R HN 0.882 nan 8.270 nan 0.000 0.543 447 G N 0.697 109.438 108.800 -0.098 0.000 2.659 447 G HA2 0.670 4.629 3.960 -0.000 0.000 0.296 447 G HA3 0.670 4.629 3.960 -0.000 0.000 0.296 447 G C -1.653 173.214 174.900 -0.055 0.000 1.369 447 G CA -0.455 44.600 45.100 -0.075 0.000 0.937 447 G HN 0.506 nan 8.290 nan 0.000 0.485 448 I N 0.312 120.874 120.570 -0.014 0.000 2.710 448 I HA 0.697 4.866 4.170 -0.000 0.000 0.290 448 I C -0.687 175.514 176.117 0.141 0.000 1.318 448 I CA -0.536 60.797 61.300 0.055 0.000 1.045 448 I CB 1.932 39.949 38.000 0.028 0.000 1.307 448 I HN 0.974 nan 8.210 nan 0.000 0.424 449 A N 6.654 129.597 122.820 0.205 0.000 2.609 449 A HA 0.804 5.124 4.320 -0.000 0.000 0.291 449 A C -2.322 175.376 177.584 0.190 0.000 1.096 449 A CA -0.584 51.597 52.037 0.241 0.000 0.684 449 A CB 1.895 20.996 19.000 0.168 0.000 1.282 449 A HN 0.729 nan 8.150 nan 0.000 0.412 450 L N 0.722 122.021 121.223 0.126 0.000 2.362 450 L HA 0.806 5.146 4.340 -0.000 0.000 0.275 450 L C -0.389 176.531 176.870 0.084 0.000 0.998 450 L CA -0.299 54.535 54.840 -0.009 0.000 0.820 450 L CB 1.946 43.860 42.059 -0.242 0.000 1.270 450 L HN 0.728 nan 8.230 nan 0.000 0.415 451 S N 6.159 121.912 115.700 0.089 0.000 2.519 451 S HA 0.719 5.189 4.470 -0.000 0.000 0.309 451 S C -2.728 171.939 174.600 0.111 0.000 1.100 451 S CA -1.384 56.900 58.200 0.139 0.000 1.059 451 S CB 1.683 64.975 63.200 0.154 0.000 1.008 451 S HN 0.485 nan 8.310 nan 0.000 0.478 452 P HA 0.516 nan 4.420 nan 0.000 0.283 452 P C -1.297 176.018 177.300 0.025 0.000 1.271 452 P CA -0.671 62.440 63.100 0.018 0.000 0.841 452 P CB 1.091 32.762 31.700 -0.049 0.000 1.122 453 V N 1.033 120.945 119.914 -0.004 0.000 2.577 453 V HA 0.413 4.533 4.120 -0.000 0.000 0.303 453 V C 0.021 176.135 176.094 0.033 0.000 1.042 453 V CA -0.486 61.846 62.300 0.054 0.000 0.872 453 V CB 1.675 33.564 31.823 0.110 0.000 0.998 453 V HN 0.528 nan 8.190 nan 0.000 0.423 454 K N 4.534 124.967 120.400 0.055 0.000 2.527 454 K HA 0.505 4.824 4.320 -0.000 0.000 0.240 454 K C -1.819 174.890 176.600 0.182 0.000 0.989 454 K CA -0.455 55.820 56.287 -0.020 0.000 0.985 454 K CB 0.902 33.371 32.500 -0.052 0.000 1.221 454 K HN 0.544 nan 8.250 nan 0.000 0.458 455 F N 2.875 122.816 119.950 -0.015 0.000 2.402 455 F HA 0.477 5.004 4.527 -0.000 0.000 0.355 455 F C 0.439 176.194 175.800 -0.074 0.000 1.123 455 F CA -0.413 57.622 58.000 0.059 0.000 1.021 455 F CB 1.335 40.280 39.000 -0.091 0.000 1.160 455 F HN 0.583 nan 8.300 nan 0.000 0.451 456 G N 6.281 114.701 108.800 -0.634 0.000 2.483 456 G HA2 0.395 4.355 3.960 -0.000 0.000 0.248 456 G HA3 0.395 4.355 3.960 -0.000 0.000 0.248 456 G C -0.799 173.075 174.900 -1.712 0.000 1.248 456 G CA -0.469 43.581 45.100 -1.749 0.000 0.838 456 G HN 0.496 nan 8.290 nan 0.000 0.566 457 I N 1.088 120.856 120.570 -1.338 0.000 2.355 457 I HA 0.597 4.766 4.170 -0.000 0.000 0.288 457 I C 0.314 176.123 176.117 -0.515 0.000 0.999 457 I CA -0.186 60.596 61.300 -0.863 0.000 1.163 457 I CB 0.405 37.717 38.000 -1.146 0.000 1.316 457 I HN 0.587 nan 8.210 nan 0.000 0.454 458 S N 4.809 120.299 115.700 -0.351 0.000 2.791 458 S HA 0.117 4.587 4.470 -0.000 0.000 0.261 458 S C -0.978 173.531 174.600 -0.153 0.000 0.684 458 S CA -0.831 57.263 58.200 -0.178 0.000 1.126 458 S CB -0.121 63.060 63.200 -0.033 0.000 1.400 458 S HN 0.275 nan 8.310 nan 0.000 0.522 459 F N 2.830 122.732 119.950 -0.080 0.000 2.538 459 F HA 0.165 4.692 4.527 -0.000 0.000 0.371 459 F C 2.281 178.047 175.800 -0.057 0.000 1.087 459 F CA 1.003 58.943 58.000 -0.101 0.000 1.250 459 F CB 0.919 39.837 39.000 -0.137 0.000 1.110 459 F HN 0.799 nan 8.300 nan 0.000 0.570 460 T N 0.498 115.155 114.554 0.171 0.000 2.708 460 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 460 T C 0.816 175.707 174.700 0.318 0.000 1.037 460 T CA 0.655 62.862 62.100 0.179 0.000 1.146 460 T CB -0.435 68.595 68.868 0.269 0.000 0.865 460 T HN 0.256 nan 8.240 nan 0.000 0.435 461 L N 3.658 124.990 121.223 0.182 0.000 2.505 461 L HA 0.245 4.584 4.340 -0.000 0.000 0.279 461 L C 1.902 178.677 176.870 -0.160 0.000 1.211 461 L CA 0.074 54.900 54.840 -0.023 0.000 1.059 461 L CB -0.354 41.605 42.059 -0.167 0.000 1.340 461 L HN 0.414 nan 8.230 nan 0.000 0.447 462 T N -2.944 111.604 114.554 -0.011 0.000 2.881 462 T HA -0.223 4.127 4.350 -0.000 0.000 0.270 462 T C 1.739 176.419 174.700 -0.034 0.000 1.068 462 T CA 1.468 63.584 62.100 0.026 0.000 1.131 462 T CB -0.581 68.351 68.868 0.105 0.000 0.871 462 T HN 0.720 nan 8.240 nan 0.000 0.479 463 H N 1.300 120.376 119.070 0.010 0.000 2.489 463 H HA 0.106 4.661 4.556 -0.000 0.000 0.293 463 H C 1.929 177.210 175.328 -0.079 0.000 1.066 463 H CA 0.664 56.698 56.048 -0.023 0.000 1.305 463 H CB -0.649 29.103 29.762 -0.018 0.000 1.386 463 H HN 0.351 nan 8.280 nan 0.000 0.551 464 L N 1.212 122.197 121.223 -0.398 0.000 2.633 464 L HA -0.067 4.273 4.340 -0.000 0.000 0.235 464 L C 0.594 177.239 176.870 -0.374 0.000 1.163 464 L CA 0.235 54.765 54.840 -0.517 0.000 0.859 464 L CB -0.262 41.144 42.059 -1.088 0.000 0.973 464 L HN 0.263 nan 8.230 nan 0.000 0.451 465 N N 1.978 120.630 118.700 -0.081 0.000 3.331 465 N HA 0.048 4.788 4.740 -0.000 0.000 0.303 465 N C -0.382 175.077 175.510 -0.085 0.000 1.326 465 N CA 0.115 53.195 53.050 0.050 0.000 1.207 465 N CB 0.305 38.836 38.487 0.073 0.000 1.477 465 N HN 0.495 nan 8.380 nan 0.000 0.541 466 Q N -0.688 119.056 119.800 -0.093 0.000 2.372 466 Q HA 0.784 5.124 4.340 -0.000 0.000 0.273 466 Q C -1.847 174.064 176.000 -0.148 0.000 1.078 466 Q CA -1.132 54.548 55.803 -0.206 0.000 0.806 466 Q CB 2.477 31.200 28.738 -0.025 0.000 1.332 466 Q HN 0.055 nan 8.270 nan 0.000 0.435 467 A N 1.101 123.742 122.820 -0.298 0.000 2.515 467 A HA 0.923 5.243 4.320 -0.000 0.000 0.298 467 A C -0.837 176.723 177.584 -0.040 0.000 1.059 467 A CA -0.206 51.789 52.037 -0.071 0.000 0.698 467 A CB 2.067 21.086 19.000 0.032 0.000 1.289 467 A HN 0.906 nan 8.150 nan 0.000 0.404 468 G N -0.412 108.476 108.800 0.147 0.000 2.571 468 G HA2 0.840 4.800 3.960 -0.000 0.000 0.304 468 G HA3 0.840 4.800 3.960 -0.000 0.000 0.304 468 G C -0.647 174.371 174.900 0.197 0.000 1.314 468 G CA 0.125 45.372 45.100 0.244 0.000 0.975 468 G HN 1.758 nan 8.290 nan 0.000 0.485 469 A N 0.225 123.153 122.820 0.181 0.000 2.527 469 A HA 0.881 5.201 4.320 -0.000 0.000 0.293 469 A C -1.797 175.854 177.584 0.112 0.000 1.117 469 A CA -0.720 51.411 52.037 0.157 0.000 0.723 469 A CB 2.173 21.256 19.000 0.138 0.000 1.313 469 A HN 1.497 nan 8.150 nan 0.000 0.411 470 L N 1.113 122.387 121.223 0.087 0.000 2.491 470 L HA 0.616 4.956 4.340 -0.000 0.000 0.267 470 L C -1.605 175.278 176.870 0.020 0.000 0.971 470 L CA -0.152 54.716 54.840 0.046 0.000 0.857 470 L CB 1.808 43.890 42.059 0.038 0.000 1.226 470 L HN 0.460 nan 8.230 nan 0.000 0.408 471 V N 4.652 124.564 119.914 -0.002 0.000 2.448 471 V HA 0.589 4.708 4.120 -0.000 0.000 0.295 471 V C -0.495 175.546 176.094 -0.087 0.000 1.025 471 V CA -0.649 61.631 62.300 -0.033 0.000 0.859 471 V CB 1.576 33.387 31.823 -0.020 0.000 0.988 471 V HN 0.666 nan 8.190 nan 0.000 0.431 472 Q N 4.773 124.474 119.800 -0.166 0.000 2.274 472 Q HA 0.644 4.984 4.340 -0.000 0.000 0.260 472 Q C -0.900 174.881 176.000 -0.366 0.000 0.974 472 Q CA -0.482 55.128 55.803 -0.322 0.000 0.876 472 Q CB 2.941 31.348 28.738 -0.552 0.000 1.297 472 Q HN 0.687 nan 8.270 nan 0.000 0.446 473 I N 2.563 122.951 120.570 -0.305 0.000 2.390 473 I HA 0.291 4.461 4.170 -0.000 0.000 0.283 473 I C -0.477 175.532 176.117 -0.180 0.000 1.016 473 I CA -0.765 60.432 61.300 -0.171 0.000 1.151 473 I CB 0.396 38.400 38.000 0.006 0.000 1.293 473 I HN 0.478 nan 8.210 nan 0.000 0.458 474 Y N 3.098 123.412 120.300 0.024 0.000 2.281 474 Y HA 0.031 4.581 4.550 -0.000 0.000 0.337 474 Y C 2.171 178.049 175.900 -0.038 0.000 1.304 474 Y CA -0.223 57.865 58.100 -0.020 0.000 1.465 474 Y CB 0.711 39.157 38.460 -0.023 0.000 1.350 474 Y HN 0.620 nan 8.280 nan 0.000 0.575 475 T N -2.763 111.837 114.554 0.075 0.000 2.833 475 T HA -0.214 4.136 4.350 -0.000 0.000 0.269 475 T C 1.115 175.817 174.700 0.004 0.000 1.054 475 T CA 1.388 63.447 62.100 -0.067 0.000 1.135 475 T CB -0.379 68.332 68.868 -0.261 0.000 0.869 475 T HN 0.790 nan 8.240 nan 0.000 0.466 476 D N 1.844 122.271 120.400 0.046 0.000 2.378 476 D HA 0.110 4.750 4.640 -0.000 0.000 0.227 476 D C 1.625 177.998 176.300 0.122 0.000 1.012 476 D CA 0.725 54.763 54.000 0.063 0.000 0.905 476 D CB -1.011 39.814 40.800 0.042 0.000 0.895 476 D HN 0.665 nan 8.370 nan 0.000 0.532 477 G N 0.321 109.220 108.800 0.166 0.000 2.137 477 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.237 477 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.237 477 G C 0.154 175.205 174.900 0.251 0.000 1.002 477 G CA 0.427 45.695 45.100 0.279 0.000 0.702 477 G HN 0.837 nan 8.290 nan 0.000 0.515 478 S N -0.797 115.019 115.700 0.194 0.000 2.462 478 S HA 0.772 5.242 4.470 -0.000 0.000 0.294 478 S C 0.184 174.893 174.600 0.182 0.000 1.144 478 S CA -0.167 58.125 58.200 0.153 0.000 1.088 478 S CB 2.451 65.728 63.200 0.129 0.000 1.009 478 S HN 1.765 nan 8.310 nan 0.000 0.484 479 V N 0.471 120.435 119.914 0.084 0.000 2.539 479 V HA 0.911 5.031 4.120 -0.000 0.000 0.292 479 V C 0.231 176.348 176.094 0.038 0.000 1.045 479 V CA -0.972 61.338 62.300 0.017 0.000 0.945 479 V CB 0.615 32.422 31.823 -0.026 0.000 0.993 479 V HN 1.198 nan 8.190 nan 0.000 0.464 480 A N 5.241 128.050 122.820 -0.019 0.000 2.260 480 A HA 0.750 5.070 4.320 -0.000 0.000 0.308 480 A C -0.688 176.884 177.584 -0.019 0.000 1.254 480 A CA -0.492 51.563 52.037 0.030 0.000 0.874 480 A CB 0.739 19.797 19.000 0.098 0.000 1.153 480 A HN 1.228 nan 8.150 nan 0.000 0.527 481 L N 3.494 124.715 121.223 -0.002 0.000 2.282 481 L HA 0.518 4.857 4.340 -0.000 0.000 0.288 481 L C -0.392 176.492 176.870 0.023 0.000 1.033 481 L CA -0.075 54.774 54.840 0.015 0.000 0.807 481 L CB 1.035 43.110 42.059 0.026 0.000 1.209 481 L HN 0.765 nan 8.230 nan 0.000 0.423 482 N N 3.005 121.734 118.700 0.048 0.000 2.260 482 N HA 0.450 5.190 4.740 -0.000 0.000 0.293 482 N C -1.377 174.200 175.510 0.112 0.000 1.058 482 N CA -0.317 52.745 53.050 0.020 0.000 0.824 482 N CB 1.610 40.092 38.487 -0.008 0.000 1.551 482 N HN 0.943 nan 8.380 nan 0.000 0.475 483 H N -0.598 118.498 119.070 0.044 0.000 3.038 483 H HA 0.535 5.091 4.556 -0.000 0.000 0.289 483 H C 0.815 176.194 175.328 0.085 0.000 1.510 483 H CA -0.630 55.461 56.048 0.071 0.000 1.227 483 H CB 0.485 30.295 29.762 0.081 0.000 1.880 483 H HN 0.377 nan 8.280 nan 0.000 0.594 484 G N -0.808 108.127 108.800 0.225 0.000 2.453 484 G HA2 0.200 4.160 3.960 -0.000 0.000 0.215 484 G HA3 0.200 4.160 3.960 -0.000 0.000 0.215 484 G C 0.764 175.735 174.900 0.119 0.000 1.147 484 G CA 0.155 45.337 45.100 0.137 0.000 0.802 484 G HN 0.826 nan 8.290 nan 0.000 0.535 485 G N -0.019 108.957 108.800 0.294 0.000 2.539 485 G HA2 0.447 4.407 3.960 -0.000 0.000 0.258 485 G HA3 0.447 4.407 3.960 -0.000 0.000 0.258 485 G C 0.052 175.013 174.900 0.102 0.000 1.202 485 G CA 0.507 45.741 45.100 0.223 0.000 0.851 485 G HN 0.456 nan 8.290 nan 0.000 0.556 486 T N -1.648 112.935 114.554 0.048 0.000 2.932 486 T HA 0.576 4.926 4.350 -0.000 0.000 0.289 486 T C -0.656 173.996 174.700 -0.079 0.000 1.039 486 T CA -0.844 61.260 62.100 0.008 0.000 1.024 486 T CB 2.392 71.268 68.868 0.014 0.000 1.090 486 T HN 0.385 nan 8.240 nan 0.000 0.496 487 E N 1.329 121.485 120.200 -0.073 0.000 2.115 487 E HA 0.454 4.804 4.350 -0.000 0.000 0.282 487 E C 0.052 176.647 176.600 -0.008 0.000 0.987 487 E CA -0.627 55.715 56.400 -0.097 0.000 0.797 487 E CB 0.723 30.399 29.700 -0.040 0.000 1.086 487 E HN 0.743 nan 8.360 nan 0.000 0.397 488 M N 2.187 121.753 119.600 -0.057 0.000 2.347 488 M HA 0.437 4.916 4.480 -0.000 0.000 0.324 488 M C 1.030 177.267 176.300 -0.104 0.000 1.028 488 M CA 0.143 55.386 55.300 -0.094 0.000 0.988 488 M CB 1.096 33.571 32.600 -0.208 0.000 1.528 488 M HN 0.565 nan 8.290 nan 0.000 0.550 489 G N 1.183 109.946 108.800 -0.060 0.000 2.255 489 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.196 489 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.196 489 G C 0.871 175.701 174.900 -0.116 0.000 0.998 489 G CA 0.219 45.254 45.100 -0.108 0.000 0.656 489 G HN 0.524 nan 8.290 nan 0.000 0.490 490 Q N 1.709 121.459 119.800 -0.083 0.000 2.541 490 Q HA 0.248 4.588 4.340 -0.000 0.000 0.215 490 Q C 1.590 177.587 176.000 -0.006 0.000 0.977 490 Q CA 1.408 57.180 55.803 -0.052 0.000 0.934 490 Q CB -0.752 27.947 28.738 -0.065 0.000 0.988 490 Q HN 1.936 nan 8.270 nan 0.000 0.521 491 G N 1.725 110.559 108.800 0.057 0.000 2.249 491 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.273 491 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.273 491 G C 0.347 175.294 174.900 0.078 0.000 1.036 491 G CA 0.484 45.709 45.100 0.208 0.000 0.824 491 G HN 0.448 nan 8.290 nan 0.000 0.504 492 L N -0.188 121.029 121.223 -0.010 0.000 2.017 492 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 492 L C 2.655 179.521 176.870 -0.007 0.000 1.073 492 L CA 2.815 57.619 54.840 -0.060 0.000 0.745 492 L CB -0.378 41.609 42.059 -0.121 0.000 0.894 492 L HN 0.425 nan 8.230 nan 0.000 0.432 493 H N -0.267 118.860 119.070 0.096 0.000 2.353 493 H HA -0.031 4.525 4.556 -0.000 0.000 0.300 493 H C 2.204 177.521 175.328 -0.019 0.000 1.090 493 H CA 1.260 57.357 56.048 0.081 0.000 1.327 493 H CB -0.805 28.988 29.762 0.052 0.000 1.383 493 H HN 0.511 nan 8.280 nan 0.000 0.508 494 A N 1.671 124.524 122.820 0.055 0.000 1.892 494 A HA -0.234 4.085 4.320 -0.000 0.000 0.218 494 A C 2.359 179.929 177.584 -0.024 0.000 1.188 494 A CA 2.045 54.071 52.037 -0.018 0.000 0.631 494 A CB -0.408 18.573 19.000 -0.033 0.000 0.822 494 A HN 0.389 nan 8.150 nan 0.000 0.447 495 K N -1.284 119.105 120.400 -0.019 0.000 2.097 495 K HA -0.124 4.195 4.320 -0.000 0.000 0.206 495 K C 2.082 178.642 176.600 -0.066 0.000 1.049 495 K CA 1.495 57.753 56.287 -0.048 0.000 0.933 495 K CB -0.269 32.208 32.500 -0.039 0.000 0.717 495 K HN 0.352 nan 8.250 nan 0.000 0.442 496 M N 0.486 120.053 119.600 -0.055 0.000 2.077 496 M HA -0.117 4.363 4.480 -0.000 0.000 0.261 496 M C 2.359 178.628 176.300 -0.052 0.000 1.070 496 M CA 1.335 56.583 55.300 -0.088 0.000 1.125 496 M CB -0.892 31.620 32.600 -0.146 0.000 1.339 496 M HN -0.084 nan 8.290 nan 0.000 0.409 497 V N 0.431 120.330 119.914 -0.025 0.000 2.282 497 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 497 V C 2.417 178.467 176.094 -0.075 0.000 1.057 497 V CA 1.873 64.148 62.300 -0.042 0.000 1.032 497 V CB -0.910 30.890 31.823 -0.039 0.000 0.645 497 V HN 0.534 nan 8.190 nan 0.000 0.447 498 Q N -0.862 118.882 119.800 -0.093 0.000 2.124 498 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 498 Q C 2.290 178.172 176.000 -0.197 0.000 0.977 498 Q CA 1.740 57.459 55.803 -0.141 0.000 0.850 498 Q CB -0.207 28.442 28.738 -0.149 0.000 0.901 498 Q HN 0.580 nan 8.270 nan 0.000 0.429 499 V N 0.463 120.282 119.914 -0.158 0.000 2.323 499 V HA -0.247 3.872 4.120 -0.000 0.000 0.244 499 V C 2.178 178.255 176.094 -0.029 0.000 1.041 499 V CA 1.708 63.940 62.300 -0.113 0.000 1.025 499 V CB -0.934 30.897 31.823 0.013 0.000 0.656 499 V HN 0.399 nan 8.190 nan 0.000 0.451 500 A N 0.303 123.100 122.820 -0.039 0.000 1.845 500 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 500 A C 2.421 179.973 177.584 -0.053 0.000 1.195 500 A CA 2.306 54.325 52.037 -0.030 0.000 0.616 500 A CB -1.005 17.975 19.000 -0.034 0.000 0.832 500 A HN 0.571 nan 8.150 nan 0.000 0.443 501 A N -0.412 122.359 122.820 -0.082 0.000 1.972 501 A HA 0.193 4.513 4.320 -0.000 0.000 0.219 501 A C 2.458 179.993 177.584 -0.081 0.000 1.169 501 A CA 1.986 53.961 52.037 -0.104 0.000 0.635 501 A CB -0.947 17.988 19.000 -0.108 0.000 0.810 501 A HN 1.073 nan 8.150 nan 0.000 0.446 502 A N -0.364 122.406 122.820 -0.084 0.000 1.883 502 A HA -0.058 4.261 4.320 -0.000 0.000 0.217 502 A C 2.237 179.858 177.584 0.061 0.000 1.186 502 A CA 1.953 53.953 52.037 -0.062 0.000 0.624 502 A CB -1.034 17.819 19.000 -0.245 0.000 0.822 502 A HN 0.409 nan 8.150 nan 0.000 0.444 503 V N 0.130 120.100 119.914 0.093 0.000 2.295 503 V HA -0.242 3.877 4.120 -0.000 0.000 0.246 503 V C 2.448 178.551 176.094 0.014 0.000 1.049 503 V CA 2.020 64.373 62.300 0.089 0.000 1.024 503 V CB -0.766 31.093 31.823 0.060 0.000 0.648 503 V HN 0.568 nan 8.190 nan 0.000 0.447 504 L N 0.264 121.468 121.223 -0.031 0.000 2.478 504 L HA 0.238 4.578 4.340 -0.000 0.000 0.223 504 L C 1.724 178.629 176.870 0.059 0.000 1.140 504 L CA 0.862 55.665 54.840 -0.063 0.000 0.842 504 L CB -0.767 41.215 42.059 -0.129 0.000 0.953 504 L HN 0.579 nan 8.230 nan 0.000 0.452 505 G N 1.671 110.505 108.800 0.055 0.000 2.176 505 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.252 505 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.252 505 G C 0.165 175.083 174.900 0.030 0.000 1.024 505 G CA 0.591 45.757 45.100 0.111 0.000 0.755 505 G HN 0.496 nan 8.290 nan 0.000 0.507 506 I N -3.791 116.709 120.570 -0.117 0.000 2.982 506 I HA 0.757 4.927 4.170 -0.000 0.000 0.312 506 I C 0.060 176.100 176.117 -0.129 0.000 1.041 506 I CA -1.528 59.651 61.300 -0.202 0.000 1.053 506 I CB 1.350 39.050 38.000 -0.500 0.000 1.248 506 I HN -0.063 nan 8.210 nan 0.000 0.471 507 D N 3.299 123.635 120.400 -0.108 0.000 2.424 507 D HA 0.140 4.779 4.640 -0.000 0.000 0.244 507 D C -1.589 174.658 176.300 -0.089 0.000 1.134 507 D CA -1.773 52.182 54.000 -0.076 0.000 0.881 507 D CB 1.561 42.331 40.800 -0.050 0.000 1.191 507 D HN 0.360 nan 8.370 nan 0.000 0.445 508 P HA -0.143 nan 4.420 nan 0.000 0.221 508 P C 1.675 178.938 177.300 -0.062 0.000 1.145 508 P CA 0.401 63.457 63.100 -0.074 0.000 0.795 508 P CB 0.388 32.047 31.700 -0.069 0.000 0.775 509 V N 0.637 120.519 119.914 -0.052 0.000 2.332 509 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 509 V C 2.546 178.618 176.094 -0.037 0.000 1.055 509 V CA 1.779 64.055 62.300 -0.040 0.000 1.038 509 V CB -1.131 30.675 31.823 -0.029 0.000 0.651 509 V HN 0.146 nan 8.190 nan 0.000 0.450 510 Q N -0.310 119.460 119.800 -0.049 0.000 2.541 510 Q HA 0.010 4.350 4.340 -0.000 0.000 0.215 510 Q C 0.262 176.238 176.000 -0.041 0.000 0.977 510 Q CA 0.444 56.220 55.803 -0.045 0.000 0.934 510 Q CB -0.112 28.574 28.738 -0.086 0.000 0.988 510 Q HN 0.513 nan 8.270 nan 0.000 0.521 511 V N 1.188 121.073 119.914 -0.047 0.000 2.459 511 V HA 0.403 4.522 4.120 -0.000 0.000 0.295 511 V C -0.065 176.013 176.094 -0.026 0.000 1.029 511 V CA -0.908 61.369 62.300 -0.038 0.000 0.874 511 V CB 1.909 33.699 31.823 -0.054 0.000 0.985 511 V HN 0.007 nan 8.190 nan 0.000 0.438 512 R N 3.605 124.099 120.500 -0.009 0.000 2.589 512 R HA 0.689 5.029 4.340 -0.000 0.000 0.293 512 R C -1.182 175.096 176.300 -0.036 0.000 0.963 512 R CA -0.589 55.501 56.100 -0.018 0.000 0.905 512 R CB 1.582 31.887 30.300 0.007 0.000 1.144 512 R HN 0.675 nan 8.270 nan 0.000 0.459 513 I N 3.118 123.641 120.570 -0.079 0.000 2.331 513 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 513 I C -0.515 175.503 176.117 -0.165 0.000 0.998 513 I CA 0.296 61.506 61.300 -0.150 0.000 1.267 513 I CB 1.582 39.419 38.000 -0.270 0.000 1.386 513 I HN 0.794 nan 8.210 nan 0.000 0.476 514 T N 6.096 120.562 114.554 -0.147 0.000 2.788 514 T HA 0.586 4.936 4.350 -0.000 0.000 0.287 514 T C 0.334 174.922 174.700 -0.187 0.000 1.007 514 T CA -0.345 61.684 62.100 -0.118 0.000 1.005 514 T CB 0.764 69.591 68.868 -0.067 0.000 1.012 514 T HN 0.770 nan 8.240 nan 0.000 0.530 515 A N 1.149 123.904 122.820 -0.108 0.000 2.366 515 A HA 0.461 4.781 4.320 -0.000 0.000 0.249 515 A C 0.692 178.224 177.584 -0.087 0.000 1.084 515 A CA -0.524 51.465 52.037 -0.080 0.000 0.794 515 A CB -0.279 18.710 19.000 -0.017 0.000 1.034 515 A HN 0.759 nan 8.150 nan 0.000 0.491 516 T N 2.049 116.570 114.554 -0.056 0.000 2.834 516 T HA 0.333 4.683 4.350 -0.000 0.000 0.298 516 T C -0.367 174.314 174.700 -0.032 0.000 0.966 516 T CA 0.277 62.341 62.100 -0.059 0.000 1.141 516 T CB 0.125 68.979 68.868 -0.024 0.000 0.905 516 T HN 0.626 nan 8.240 nan 0.000 0.535 517 D N 1.513 121.895 120.400 -0.030 0.000 2.879 517 D HA 0.179 4.819 4.640 -0.000 0.000 0.236 517 D C 1.140 177.440 176.300 0.000 0.000 1.171 517 D CA -0.457 53.531 54.000 -0.020 0.000 0.868 517 D CB 2.153 42.940 40.800 -0.021 0.000 1.598 517 D HN 0.519 nan 8.370 nan 0.000 0.497 518 T N -0.690 113.864 114.554 0.001 0.000 2.985 518 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 518 T C 1.659 176.380 174.700 0.035 0.000 1.076 518 T CA 1.312 63.427 62.100 0.026 0.000 1.135 518 T CB -0.101 68.778 68.868 0.018 0.000 0.890 518 T HN 0.262 nan 8.240 nan 0.000 0.480 519 S N 0.198 115.909 115.700 0.019 0.000 2.558 519 S HA 0.244 4.714 4.470 -0.000 0.000 0.217 519 S C 1.708 176.322 174.600 0.024 0.000 0.975 519 S CA -0.208 58.007 58.200 0.025 0.000 0.912 519 S CB -0.141 63.067 63.200 0.013 0.000 0.776 519 S HN 0.534 nan 8.310 nan 0.000 0.526 520 K N 0.244 120.657 120.400 0.021 0.000 2.172 520 K HA 0.318 4.637 4.320 -0.000 0.000 0.203 520 K C -0.393 176.230 176.600 0.038 0.000 1.040 520 K CA 0.512 56.812 56.287 0.023 0.000 0.974 520 K CB 0.481 32.987 32.500 0.011 0.000 0.857 520 K HN 0.182 nan 8.250 nan 0.000 0.464 521 V N 4.142 124.083 119.914 0.046 0.000 2.407 521 V HA 0.302 4.422 4.120 -0.000 0.000 0.291 521 V C -2.563 173.579 176.094 0.081 0.000 1.018 521 V CA -1.897 60.447 62.300 0.074 0.000 0.842 521 V CB 1.448 33.326 31.823 0.092 0.000 0.996 521 V HN 0.127 nan 8.190 nan 0.000 0.426 522 P HA 0.432 nan 4.420 nan 0.000 0.287 522 P C -0.297 177.074 177.300 0.119 0.000 1.279 522 P CA -0.481 62.677 63.100 0.097 0.000 0.867 522 P CB 0.889 32.638 31.700 0.081 0.000 1.127 523 N N -1.958 116.822 118.700 0.133 0.000 2.747 523 N HA -0.112 4.628 4.740 -0.000 0.000 0.249 523 N C 0.206 175.799 175.510 0.138 0.000 1.107 523 N CA 1.197 54.334 53.050 0.145 0.000 0.707 523 N CB -2.386 36.175 38.487 0.123 0.000 1.054 523 N HN 0.699 nan 8.380 nan 0.000 0.555 524 T N -2.777 111.854 114.554 0.127 0.000 2.795 524 T HA 0.386 4.736 4.350 -0.000 0.000 0.314 524 T C 1.048 175.765 174.700 0.028 0.000 1.069 524 T CA -0.093 62.059 62.100 0.087 0.000 1.071 524 T CB 1.305 70.222 68.868 0.080 0.000 0.988 524 T HN 0.140 nan 8.240 nan 0.000 0.543 525 S N 0.232 115.866 115.700 -0.111 0.000 2.623 525 S HA 0.684 5.154 4.470 -0.000 0.000 0.278 525 S C 0.612 174.733 174.600 -0.799 0.000 1.148 525 S CA -0.573 57.394 58.200 -0.389 0.000 1.028 525 S CB 0.213 63.148 63.200 -0.442 0.000 1.145 525 S HN 1.154 nan 8.310 nan 0.000 0.523 526 A N 0.878 123.085 122.820 -1.021 0.000 2.351 526 A HA 0.483 4.803 4.320 -0.000 0.000 0.257 526 A C 0.112 177.630 177.584 -0.110 0.000 1.087 526 A CA -0.387 51.289 52.037 -0.601 0.000 0.798 526 A CB -0.274 18.572 19.000 -0.256 0.000 1.033 526 A HN 0.592 nan 8.150 nan 0.000 0.488 527 T N 1.926 116.455 114.554 -0.041 0.000 2.978 527 T HA 0.509 4.859 4.350 -0.000 0.000 0.278 527 T C 0.158 174.858 174.700 -0.001 0.000 0.945 527 T CA 0.915 63.022 62.100 0.012 0.000 1.070 527 T CB -0.666 68.201 68.868 -0.002 0.000 0.948 527 T HN 1.193 nan 8.240 nan 0.000 0.617 528 A N 1.985 124.809 122.820 0.007 0.000 2.599 528 A HA 0.840 5.160 4.320 -0.000 0.000 0.290 528 A C 0.522 177.811 177.584 -0.492 0.000 1.101 528 A CA -0.370 51.588 52.037 -0.131 0.000 0.674 528 A CB 0.448 19.439 19.000 -0.015 0.000 1.277 528 A HN 1.517 nan 8.150 nan 0.000 0.419 529 A N -0.386 122.125 122.820 -0.516 0.000 2.887 529 A HA 0.072 4.392 4.320 -0.000 0.000 0.257 529 A C 1.185 178.549 177.584 -0.367 0.000 1.372 529 A CA 1.683 53.365 52.037 -0.592 0.000 0.879 529 A CB -2.494 15.792 19.000 -1.191 0.000 1.082 529 A HN 2.506 nan 8.150 nan 0.000 0.703 530 S N -2.942 112.618 115.700 -0.233 0.000 3.146 530 S HA -0.337 4.133 4.470 -0.000 0.000 0.285 530 S C 1.467 175.987 174.600 -0.132 0.000 1.293 530 S CA 2.094 60.209 58.200 -0.141 0.000 1.137 530 S CB -2.286 60.862 63.200 -0.086 0.000 1.357 530 S HN 2.512 nan 8.310 nan 0.000 0.678 531 S N 1.066 116.643 115.700 -0.205 0.000 2.428 531 S HA 0.111 4.580 4.470 -0.000 0.000 0.230 531 S C 2.210 176.803 174.600 -0.012 0.000 1.014 531 S CA 1.134 59.267 58.200 -0.111 0.000 0.957 531 S CB -0.985 62.123 63.200 -0.153 0.000 0.784 531 S HN 0.986 nan 8.310 nan 0.000 0.499 532 G N 2.483 111.272 108.800 -0.018 0.000 2.783 532 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.225 532 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.225 532 G C 1.702 176.609 174.900 0.012 0.000 1.191 532 G CA 1.890 47.001 45.100 0.017 0.000 0.774 532 G HN 0.960 nan 8.290 nan 0.000 0.632 533 A N 0.148 122.965 122.820 -0.004 0.000 1.930 533 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 533 A C 2.119 179.703 177.584 0.001 0.000 1.175 533 A CA 2.095 54.123 52.037 -0.015 0.000 0.627 533 A CB -0.349 18.646 19.000 -0.008 0.000 0.815 533 A HN 0.365 nan 8.150 nan 0.000 0.443 534 D N 0.034 120.455 120.400 0.035 0.000 2.084 534 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 534 D C 2.108 178.434 176.300 0.043 0.000 0.990 534 D CA 1.733 55.767 54.000 0.058 0.000 0.826 534 D CB -0.376 40.503 40.800 0.131 0.000 0.971 534 D HN 0.500 nan 8.370 nan 0.000 0.453 535 M N 0.242 119.913 119.600 0.118 0.000 2.160 535 M HA -0.033 4.447 4.480 -0.000 0.000 0.264 535 M C 1.836 178.203 176.300 0.111 0.000 1.073 535 M CA 0.721 56.163 55.300 0.237 0.000 1.142 535 M CB -0.260 32.475 32.600 0.225 0.000 1.358 535 M HN -0.089 nan 8.290 nan 0.000 0.422 536 N N 0.902 119.629 118.700 0.046 0.000 2.166 536 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 536 N C 1.853 177.313 175.510 -0.084 0.000 1.019 536 N CA 1.613 54.656 53.050 -0.013 0.000 0.856 536 N CB -0.599 37.845 38.487 -0.072 0.000 0.993 536 N HN 0.441 nan 8.380 nan 0.000 0.426 537 G N 2.218 110.966 108.800 -0.087 0.000 2.491 537 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 537 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 537 G C 1.580 176.427 174.900 -0.088 0.000 1.180 537 G CA 0.845 45.902 45.100 -0.071 0.000 0.774 537 G HN 0.141 nan 8.290 nan 0.000 0.562 538 M N 1.092 120.577 119.600 -0.191 0.000 2.065 538 M HA -0.044 4.435 4.480 -0.000 0.000 0.259 538 M C 3.118 179.336 176.300 -0.136 0.000 1.069 538 M CA 1.587 56.687 55.300 -0.333 0.000 1.110 538 M CB -1.438 30.576 32.600 -0.976 0.000 1.328 538 M HN 0.334 nan 8.290 nan 0.000 0.405 539 A N 0.014 122.817 122.820 -0.027 0.000 1.917 539 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 539 A C 2.473 180.081 177.584 0.039 0.000 1.182 539 A CA 2.074 54.140 52.037 0.049 0.000 0.633 539 A CB -1.117 17.930 19.000 0.078 0.000 0.819 539 A HN 0.311 nan 8.150 nan 0.000 0.448 540 V N 0.269 120.188 119.914 0.008 0.000 2.287 540 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 540 V C 2.580 178.679 176.094 0.008 0.000 1.053 540 V CA 2.488 64.793 62.300 0.009 0.000 1.027 540 V CB -0.647 31.158 31.823 -0.030 0.000 0.646 540 V HN 0.745 nan 8.190 nan 0.000 0.447 541 K N -0.012 120.385 120.400 -0.004 0.000 2.063 541 K HA -0.288 4.031 4.320 -0.000 0.000 0.208 541 K C 1.889 178.478 176.600 -0.018 0.000 1.048 541 K CA 2.273 58.555 56.287 -0.008 0.000 0.928 541 K CB -0.316 32.149 32.500 -0.058 0.000 0.713 541 K HN 0.555 nan 8.250 nan 0.000 0.442 542 D N -0.023 120.372 120.400 -0.009 0.000 2.088 542 D HA -0.153 4.487 4.640 -0.000 0.000 0.191 542 D C 1.779 178.094 176.300 0.024 0.000 0.992 542 D CA 2.000 56.011 54.000 0.019 0.000 0.831 542 D CB -0.231 40.609 40.800 0.067 0.000 0.973 542 D HN 0.313 nan 8.370 nan 0.000 0.447 543 A N -0.402 122.440 122.820 0.036 0.000 1.927 543 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 543 A C 2.603 180.189 177.584 0.004 0.000 1.185 543 A CA 1.931 53.984 52.037 0.028 0.000 0.639 543 A CB -1.128 17.894 19.000 0.037 0.000 0.820 543 A HN 0.545 nan 8.150 nan 0.000 0.451 544 C N -1.200 118.098 119.300 -0.003 0.000 2.475 544 C HA 0.011 4.471 4.460 -0.000 0.000 0.279 544 C C 2.598 177.562 174.990 -0.044 0.000 1.322 544 C CA 0.807 59.813 59.018 -0.021 0.000 1.734 544 C CB -1.157 26.574 27.740 -0.015 0.000 2.005 544 C HN 0.680 nan 8.230 nan 0.000 0.495 545 E N 0.747 120.926 120.200 -0.035 0.000 2.077 545 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 545 E C 2.084 178.658 176.600 -0.043 0.000 0.989 545 E CA 1.789 58.161 56.400 -0.046 0.000 0.800 545 E CB -0.271 29.409 29.700 -0.034 0.000 0.746 545 E HN 0.624 nan 8.360 nan 0.000 0.452 546 T N 1.831 116.372 114.554 -0.022 0.000 2.635 546 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 546 T C 2.011 176.694 174.700 -0.029 0.000 1.040 546 T CA 1.101 63.193 62.100 -0.014 0.000 1.156 546 T CB -0.318 68.550 68.868 -0.000 0.000 0.863 546 T HN 0.088 nan 8.240 nan 0.000 0.430 547 L N 0.134 121.335 121.223 -0.037 0.000 2.056 547 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 547 L C 3.011 179.825 176.870 -0.094 0.000 1.078 547 L CA 1.095 55.908 54.840 -0.046 0.000 0.749 547 L CB -0.485 41.557 42.059 -0.029 0.000 0.901 547 L HN 0.115 nan 8.230 nan 0.000 0.433 548 R N 0.297 120.702 120.500 -0.159 0.000 2.105 548 R HA -0.163 4.176 4.340 -0.000 0.000 0.239 548 R C 2.167 178.328 176.300 -0.232 0.000 1.135 548 R CA 1.602 57.480 56.100 -0.369 0.000 0.967 548 R CB -0.474 29.602 30.300 -0.374 0.000 0.861 548 R HN 0.459 nan 8.270 nan 0.000 0.442 549 G N -0.144 108.604 108.800 -0.087 0.000 2.421 549 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 549 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 549 G C 1.498 176.415 174.900 0.028 0.000 1.143 549 G CA 0.185 45.283 45.100 -0.003 0.000 0.784 549 G HN 0.272 nan 8.290 nan 0.000 0.541 550 R N -0.301 120.201 120.500 0.003 0.000 2.096 550 R HA 0.115 4.454 4.340 -0.000 0.000 0.235 550 R C 2.542 178.878 176.300 0.061 0.000 1.127 550 R CA 0.857 56.967 56.100 0.016 0.000 0.968 550 R CB -0.327 29.962 30.300 -0.019 0.000 0.861 550 R HN 0.335 nan 8.270 nan 0.000 0.440 551 L N -0.676 120.588 121.223 0.068 0.000 2.095 551 L HA -0.020 4.320 4.340 -0.000 0.000 0.204 551 L C 2.550 179.622 176.870 0.338 0.000 1.080 551 L CA 1.020 55.978 54.840 0.196 0.000 0.759 551 L CB -0.537 41.632 42.059 0.183 0.000 0.914 551 L HN 0.233 nan 8.230 nan 0.000 0.439 552 A N 0.529 123.552 122.820 0.338 0.000 1.902 552 A HA -0.131 4.188 4.320 -0.000 0.000 0.217 552 A C 2.388 180.075 177.584 0.172 0.000 1.181 552 A CA 1.817 54.061 52.037 0.346 0.000 0.623 552 A CB -1.238 17.974 19.000 0.352 0.000 0.818 552 A HN 0.438 nan 8.150 nan 0.000 0.443 553 G N -1.157 107.728 108.800 0.142 0.000 2.402 553 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.216 553 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.216 553 G C 1.464 176.420 174.900 0.093 0.000 1.162 553 G CA 1.125 46.283 45.100 0.096 0.000 0.777 553 G HN 0.554 nan 8.290 nan 0.000 0.539 554 F N 1.528 121.469 119.950 -0.015 0.000 2.102 554 F HA -0.096 4.431 4.527 -0.001 0.000 0.298 554 F C 2.592 178.342 175.800 -0.085 0.000 1.105 554 F CA 1.576 59.545 58.000 -0.050 0.000 1.239 554 F CB -0.476 38.488 39.000 -0.060 0.000 0.991 554 F HN 0.004 nan 8.300 nan 0.000 0.474 555 V N 1.070 120.795 119.914 -0.315 0.000 2.233 555 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 555 V C 2.854 178.749 176.094 -0.332 0.000 1.050 555 V CA 2.174 64.191 62.300 -0.472 0.000 1.010 555 V CB -1.712 29.952 31.823 -0.265 0.000 0.637 555 V HN 0.527 nan 8.190 nan 0.000 0.444 556 A N -0.349 122.379 122.820 -0.153 0.000 1.972 556 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 556 A C 2.371 179.892 177.584 -0.105 0.000 1.169 556 A CA 2.073 54.056 52.037 -0.090 0.000 0.635 556 A CB -0.692 18.294 19.000 -0.024 0.000 0.810 556 A HN 0.595 nan 8.150 nan 0.000 0.446 557 A N -0.692 122.052 122.820 -0.127 0.000 1.898 557 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 557 A C 2.269 179.754 177.584 -0.165 0.000 1.181 557 A CA 1.438 53.409 52.037 -0.110 0.000 0.620 557 A CB -0.443 18.515 19.000 -0.070 0.000 0.819 557 A HN 0.401 nan 8.150 nan 0.000 0.442 558 R N -0.433 119.880 120.500 -0.312 0.000 2.189 558 R HA -0.036 4.304 4.340 -0.000 0.000 0.218 558 R C 0.403 176.570 176.300 -0.223 0.000 1.074 558 R CA 1.137 57.032 56.100 -0.343 0.000 0.991 558 R CB 0.035 29.931 30.300 -0.673 0.000 0.883 558 R HN 0.460 nan 8.270 nan 0.000 0.457 559 E N -0.745 119.343 120.200 -0.187 0.000 2.583 559 E HA 0.124 4.474 4.350 -0.000 0.000 0.213 559 E C -0.108 176.468 176.600 -0.039 0.000 0.989 559 E CA 0.301 56.655 56.400 -0.076 0.000 0.991 559 E CB 0.959 30.643 29.700 -0.027 0.000 1.040 559 E HN 0.405 nan 8.360 nan 0.000 0.481 560 G N 2.483 111.250 108.800 -0.055 0.000 2.434 560 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.224 560 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.224 560 G C 0.266 175.156 174.900 -0.017 0.000 0.807 560 G CA 0.270 45.352 45.100 -0.031 0.000 1.113 560 G HN 0.523 nan 8.290 nan 0.000 0.327 561 C N -0.913 118.378 119.300 -0.016 0.000 2.854 561 C HA 0.803 5.263 4.460 -0.000 0.000 0.285 561 C C 0.658 175.647 174.990 -0.001 0.000 1.255 561 C CA -0.664 58.352 59.018 -0.004 0.000 1.214 561 C CB 0.523 28.264 27.740 0.002 0.000 1.297 561 C HN 2.714 nan 8.230 nan 0.000 0.441 562 A N 0.839 123.664 122.820 0.008 0.000 2.520 562 A HA 0.603 4.922 4.320 -0.000 0.000 0.245 562 A C 1.463 179.061 177.584 0.024 0.000 1.072 562 A CA 0.847 52.894 52.037 0.016 0.000 0.761 562 A CB 0.070 19.081 19.000 0.019 0.000 1.004 562 A HN 2.607 nan 8.150 nan 0.000 0.499 563 A N 3.200 126.039 122.820 0.031 0.000 1.908 563 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 563 A C 2.072 179.701 177.584 0.075 0.000 1.181 563 A CA 1.771 53.840 52.037 0.053 0.000 0.627 563 A CB -0.520 18.515 19.000 0.058 0.000 0.818 563 A HN 0.947 nan 8.150 nan 0.000 0.445 564 R N 0.046 120.583 120.500 0.062 0.000 2.211 564 R HA -0.129 4.211 4.340 -0.000 0.000 0.240 564 R C 0.239 176.581 176.300 0.070 0.000 1.144 564 R CA 1.510 57.650 56.100 0.067 0.000 0.992 564 R CB -0.567 29.761 30.300 0.046 0.000 0.869 564 R HN 0.336 nan 8.270 nan 0.000 0.462 565 D N 0.302 120.735 120.400 0.055 0.000 2.342 565 D HA 0.078 4.718 4.640 -0.000 0.000 0.221 565 D C -0.447 175.879 176.300 0.042 0.000 1.101 565 D CA 0.137 54.164 54.000 0.045 0.000 0.837 565 D CB 0.476 41.294 40.800 0.030 0.000 0.938 565 D HN -0.043 nan 8.370 nan 0.000 0.508 566 V N 2.286 122.234 119.914 0.057 0.000 2.408 566 V HA 0.191 4.311 4.120 -0.000 0.000 0.267 566 V C 0.524 176.624 176.094 0.009 0.000 1.047 566 V CA -0.403 61.902 62.300 0.008 0.000 0.937 566 V CB 0.688 32.523 31.823 0.019 0.000 0.999 566 V HN -0.031 nan 8.190 nan 0.000 0.472 567 I N 5.420 125.945 120.570 -0.074 0.000 2.336 567 I HA 0.419 4.589 4.170 -0.000 0.000 0.292 567 I C -0.640 175.410 176.117 -0.112 0.000 0.991 567 I CA -0.160 61.143 61.300 0.004 0.000 1.227 567 I CB 1.064 39.080 38.000 0.027 0.000 1.366 567 I HN 0.364 nan 8.210 nan 0.000 0.466 568 F N 4.372 124.393 119.950 0.118 0.000 2.308 568 F HA 0.432 4.959 4.527 -0.001 0.000 0.370 568 F C -0.074 175.795 175.800 0.116 0.000 1.100 568 F CA -0.363 57.729 58.000 0.153 0.000 1.108 568 F CB 0.859 39.967 39.000 0.181 0.000 1.293 568 F HN 0.433 nan 8.300 nan 0.000 0.478 569 D N 1.189 121.717 120.400 0.213 0.000 2.736 569 D HA 0.581 5.221 4.640 -0.000 0.000 0.223 569 D C -0.445 175.918 176.300 0.106 0.000 1.231 569 D CA -0.216 53.866 54.000 0.136 0.000 0.818 569 D CB 1.858 42.713 40.800 0.091 0.000 1.587 569 D HN 0.603 nan 8.370 nan 0.000 0.463 570 A N 2.191 125.053 122.820 0.070 0.000 2.745 570 A HA 0.162 4.482 4.320 -0.000 0.000 0.296 570 A C 1.467 179.089 177.584 0.064 0.000 1.500 570 A CA 1.887 53.952 52.037 0.047 0.000 0.766 570 A CB -2.226 16.796 19.000 0.036 0.000 1.030 570 A HN 1.894 nan 8.150 nan 0.000 0.489 571 G N -2.095 106.747 108.800 0.070 0.000 2.203 571 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.263 571 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.263 571 G C -0.078 174.957 174.900 0.225 0.000 1.012 571 G CA 1.142 46.301 45.100 0.099 0.000 0.749 571 G HN 1.593 nan 8.290 nan 0.000 0.512 572 Q N -1.175 118.756 119.800 0.219 0.000 2.389 572 Q HA 0.626 4.966 4.340 -0.000 0.000 0.277 572 Q C -0.643 175.452 176.000 0.157 0.000 1.082 572 Q CA -0.984 54.938 55.803 0.198 0.000 0.810 572 Q CB 3.072 31.875 28.738 0.109 0.000 1.374 572 Q HN 0.146 nan 8.270 nan 0.000 0.422 573 V N 1.601 121.589 119.914 0.123 0.000 2.612 573 V HA 0.403 4.523 4.120 -0.000 0.000 0.301 573 V C -0.437 175.688 176.094 0.052 0.000 1.046 573 V CA -0.545 61.704 62.300 -0.085 0.000 0.946 573 V CB 1.718 33.449 31.823 -0.155 0.000 1.003 573 V HN 0.694 nan 8.190 nan 0.000 0.459 574 Q N 2.055 121.820 119.800 -0.058 0.000 2.271 574 Q HA 0.772 5.112 4.340 -0.000 0.000 0.268 574 Q C -1.044 174.980 176.000 0.038 0.000 1.021 574 Q CA -0.473 55.341 55.803 0.019 0.000 0.802 574 Q CB 2.517 31.240 28.738 -0.025 0.000 1.282 574 Q HN 0.971 nan 8.270 nan 0.000 0.431 575 A N 0.741 123.640 122.820 0.132 0.000 2.594 575 A HA 0.617 4.937 4.320 -0.000 0.000 0.296 575 A C -0.038 177.608 177.584 0.103 0.000 1.061 575 A CA -0.256 51.847 52.037 0.110 0.000 0.689 575 A CB 1.346 20.415 19.000 0.115 0.000 1.280 575 A HN 0.698 nan 8.150 nan 0.000 0.406 576 S N -0.128 115.603 115.700 0.052 0.000 3.380 576 S HA -0.111 4.359 4.470 -0.000 0.000 0.300 576 S C 1.648 176.244 174.600 -0.006 0.000 1.255 576 S CA 2.129 60.348 58.200 0.031 0.000 0.963 576 S CB -1.573 61.663 63.200 0.061 0.000 1.106 576 S HN 2.886 nan 8.310 nan 0.000 0.629 577 G N -0.090 108.694 108.800 -0.026 0.000 2.143 577 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 577 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 577 G C -0.239 174.587 174.900 -0.122 0.000 0.991 577 G CA 0.844 45.909 45.100 -0.060 0.000 0.689 577 G HN 0.707 nan 8.290 nan 0.000 0.522 578 K N -0.352 119.941 120.400 -0.179 0.000 2.350 578 K HA 0.811 5.130 4.320 -0.000 0.000 0.241 578 K C -0.060 176.206 176.600 -0.556 0.000 0.994 578 K CA -0.208 55.825 56.287 -0.424 0.000 0.839 578 K CB 2.167 34.334 32.500 -0.554 0.000 1.244 578 K HN 0.559 nan 8.250 nan 0.000 0.443 579 S N 0.239 115.444 115.700 -0.825 0.000 2.541 579 S HA 0.616 5.086 4.470 -0.000 0.000 0.271 579 S C -1.650 172.518 174.600 -0.721 0.000 1.133 579 S CA -0.862 57.003 58.200 -0.559 0.000 0.876 579 S CB 1.033 64.098 63.200 -0.226 0.000 1.105 579 S HN 0.616 nan 8.310 nan 0.000 0.470 580 W N 1.612 122.892 121.300 -0.034 0.000 2.950 580 W HA 0.485 5.144 4.660 -0.000 0.000 0.340 580 W C 0.097 176.628 176.519 0.021 0.000 1.139 580 W CA -0.990 56.350 57.345 -0.009 0.000 1.188 580 W CB 1.913 31.363 29.460 -0.016 0.000 1.426 580 W HN 0.660 nan 8.180 nan 0.000 0.531 581 R N 0.808 121.469 120.500 0.269 0.000 2.734 581 R HA 0.010 4.350 4.340 -0.000 0.000 0.266 581 R C 1.188 177.655 176.300 0.279 0.000 1.044 581 R CA -0.321 55.919 56.100 0.233 0.000 1.128 581 R CB 0.492 30.902 30.300 0.183 0.000 1.010 581 R HN 0.436 nan 8.270 nan 0.000 0.461 582 F N 2.175 122.216 119.950 0.152 0.000 2.087 582 F HA -0.326 4.201 4.527 -0.000 0.000 0.299 582 F C 2.185 178.073 175.800 0.146 0.000 1.100 582 F CA 2.310 60.411 58.000 0.168 0.000 1.226 582 F CB -0.311 38.783 39.000 0.155 0.000 0.983 582 F HN 0.699 nan 8.300 nan 0.000 0.479 583 A N -0.250 122.718 122.820 0.248 0.000 1.933 583 A HA -0.217 4.102 4.320 -0.000 0.000 0.218 583 A C 2.037 179.662 177.584 0.069 0.000 1.175 583 A CA 1.786 53.906 52.037 0.137 0.000 0.628 583 A CB -0.876 18.217 19.000 0.155 0.000 0.814 583 A HN 0.577 nan 8.150 nan 0.000 0.444 584 E N -0.704 119.564 120.200 0.114 0.000 2.472 584 E HA -0.096 4.254 4.350 -0.000 0.000 0.200 584 E C 1.229 177.832 176.600 0.005 0.000 1.046 584 E CA 0.405 56.879 56.400 0.124 0.000 0.871 584 E CB -0.041 29.827 29.700 0.281 0.000 0.806 584 E HN 0.582 nan 8.360 nan 0.000 0.533 585 I N -0.536 119.997 120.570 -0.060 0.000 2.947 585 I HA -0.099 4.071 4.170 -0.000 0.000 0.263 585 I C 2.252 178.308 176.117 -0.100 0.000 1.130 585 I CA 0.499 61.725 61.300 -0.123 0.000 1.448 585 I CB -0.742 37.158 38.000 -0.168 0.000 1.222 585 I HN -0.057 nan 8.210 nan 0.000 0.453 586 V N 1.917 121.712 119.914 -0.197 0.000 2.332 586 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 586 V C 2.869 178.918 176.094 -0.075 0.000 1.055 586 V CA 2.011 64.206 62.300 -0.176 0.000 1.038 586 V CB -1.001 30.720 31.823 -0.170 0.000 0.651 586 V HN 0.430 nan 8.190 nan 0.000 0.450 587 A N -0.132 122.676 122.820 -0.020 0.000 1.902 587 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 587 A C 2.393 180.014 177.584 0.063 0.000 1.181 587 A CA 2.099 54.160 52.037 0.041 0.000 0.623 587 A CB -0.747 18.280 19.000 0.045 0.000 0.818 587 A HN 0.583 nan 8.150 nan 0.000 0.443 588 A N -0.434 122.398 122.820 0.020 0.000 1.969 588 A HA 0.266 4.586 4.320 -0.000 0.000 0.218 588 A C 2.385 179.836 177.584 -0.222 0.000 1.169 588 A CA 1.712 53.776 52.037 0.046 0.000 0.635 588 A CB -0.757 18.351 19.000 0.181 0.000 0.810 588 A HN 1.010 nan 8.150 nan 0.000 0.445 589 A N -1.692 120.806 122.820 -0.536 0.000 2.014 589 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 589 A C 2.014 179.307 177.584 -0.483 0.000 1.163 589 A CA 1.381 52.777 52.037 -1.069 0.000 0.652 589 A CB -0.626 17.890 19.000 -0.807 0.000 0.808 589 A HN 0.728 nan 8.150 nan 0.000 0.449 590 Y N -0.260 119.853 120.300 -0.312 0.000 2.220 590 Y HA -0.121 4.429 4.550 -0.000 0.000 0.291 590 Y C 2.129 177.939 175.900 -0.149 0.000 1.129 590 Y CA 1.702 59.693 58.100 -0.183 0.000 1.161 590 Y CB -0.163 38.235 38.460 -0.103 0.000 0.997 590 Y HN 0.189 nan 8.280 nan 0.000 0.522 591 M N 0.247 119.740 119.600 -0.178 0.000 2.213 591 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 591 M C 1.965 178.138 176.300 -0.212 0.000 1.062 591 M CA 1.500 56.688 55.300 -0.187 0.000 1.105 591 M CB -1.579 31.010 32.600 -0.018 0.000 1.385 591 M HN 0.481 nan 8.290 nan 0.000 0.417 592 A N -0.709 121.967 122.820 -0.240 0.000 2.379 592 A HA 0.194 4.514 4.320 -0.000 0.000 0.236 592 A C 0.783 178.236 177.584 -0.218 0.000 1.272 592 A CA -0.252 51.682 52.037 -0.171 0.000 0.886 592 A CB -0.363 18.598 19.000 -0.066 0.000 0.962 592 A HN 0.538 nan 8.150 nan 0.000 0.504 593 R N -0.562 119.758 120.500 -0.301 0.000 3.416 593 R HA -0.141 4.199 4.340 -0.000 0.000 0.263 593 R C -0.678 175.512 176.300 -0.185 0.000 1.053 593 R CA 0.691 56.635 56.100 -0.260 0.000 0.705 593 R CB -1.803 28.375 30.300 -0.204 0.000 1.124 593 R HN 0.413 nan 8.270 nan 0.000 0.444 594 I N 0.526 120.959 120.570 -0.228 0.000 2.325 594 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 594 I C 1.405 177.445 176.117 -0.129 0.000 1.019 594 I CA -0.195 60.996 61.300 -0.181 0.000 1.302 594 I CB 1.271 39.107 38.000 -0.273 0.000 1.401 594 I HN 0.089 nan 8.210 nan 0.000 0.485 595 S N 6.239 121.892 115.700 -0.077 0.000 2.559 595 S HA 0.204 4.673 4.470 -0.000 0.000 0.282 595 S C 0.112 174.682 174.600 -0.049 0.000 1.336 595 S CA 0.062 58.234 58.200 -0.046 0.000 1.037 595 S CB 0.238 63.418 63.200 -0.033 0.000 0.853 595 S HN 0.439 nan 8.310 nan 0.000 0.523 596 L N 3.665 124.867 121.223 -0.035 0.000 2.913 596 L HA 0.448 4.788 4.340 -0.000 0.000 0.283 596 L C -0.210 176.621 176.870 -0.066 0.000 1.336 596 L CA -0.050 54.762 54.840 -0.047 0.000 0.815 596 L CB 0.797 42.831 42.059 -0.042 0.000 1.188 596 L HN 0.517 nan 8.230 nan 0.000 0.551 597 S N 0.546 116.215 115.700 -0.052 0.000 2.603 597 S HA 0.908 5.378 4.470 -0.000 0.000 0.274 597 S C -1.226 173.355 174.600 -0.031 0.000 1.168 597 S CA -0.025 58.142 58.200 -0.055 0.000 0.963 597 S CB 1.383 64.553 63.200 -0.050 0.000 1.078 597 S HN 0.338 nan 8.310 nan 0.000 0.477 598 A N 3.011 125.818 122.820 -0.023 0.000 2.449 598 A HA 0.850 5.170 4.320 -0.000 0.000 0.302 598 A C 0.101 177.693 177.584 0.013 0.000 1.048 598 A CA -0.587 51.448 52.037 -0.003 0.000 0.708 598 A CB 1.372 20.371 19.000 -0.001 0.000 1.274 598 A HN 1.110 nan 8.150 nan 0.000 0.410 599 T N -0.512 114.059 114.554 0.027 0.000 2.849 599 T HA 0.700 5.050 4.350 -0.000 0.000 0.284 599 T C 0.366 175.114 174.700 0.080 0.000 1.004 599 T CA 0.020 62.153 62.100 0.054 0.000 1.021 599 T CB 1.553 70.452 68.868 0.052 0.000 1.013 599 T HN 1.628 nan 8.240 nan 0.000 0.527 600 G N 0.128 109.002 108.800 0.124 0.000 2.638 600 G HA2 0.613 4.573 3.960 -0.000 0.000 0.302 600 G HA3 0.613 4.573 3.960 -0.000 0.000 0.302 600 G C -2.065 172.994 174.900 0.264 0.000 1.365 600 G CA -0.783 44.408 45.100 0.153 0.000 0.987 600 G HN 0.711 nan 8.290 nan 0.000 0.495 601 F N 1.842 121.842 119.950 0.083 0.000 2.596 601 F HA 0.727 5.253 4.527 -0.000 0.000 0.311 601 F C -1.985 173.922 175.800 0.177 0.000 1.116 601 F CA -1.228 56.836 58.000 0.106 0.000 0.957 601 F CB 2.317 41.358 39.000 0.067 0.000 1.250 601 F HN 0.557 nan 8.300 nan 0.000 0.444 602 Y N 4.264 124.103 120.300 -0.768 0.000 2.441 602 Y HA 0.762 5.312 4.550 -0.000 0.000 0.334 602 Y C -1.797 173.696 175.900 -0.678 0.000 1.061 602 Y CA -0.957 56.827 58.100 -0.527 0.000 1.032 602 Y CB 1.715 40.036 38.460 -0.233 0.000 1.266 602 Y HN 0.862 nan 8.280 nan 0.000 0.441 603 A N 3.866 126.033 122.820 -1.088 0.000 2.319 603 A HA 0.576 4.895 4.320 -0.000 0.000 0.310 603 A C -0.519 176.498 177.584 -0.945 0.000 1.152 603 A CA -0.567 50.977 52.037 -0.822 0.000 0.783 603 A CB 0.302 19.102 19.000 -0.334 0.000 1.184 603 A HN 0.814 nan 8.150 nan 0.000 0.474 604 T N 3.067 117.184 114.554 -0.728 0.000 2.871 604 T HA 0.370 4.719 4.350 -0.000 0.000 0.296 604 T C -1.853 172.745 174.700 -0.170 0.000 0.998 604 T CA -0.609 61.262 62.100 -0.382 0.000 1.162 604 T CB -0.081 68.736 68.868 -0.085 0.000 0.947 604 T HN 0.557 nan 8.240 nan 0.000 0.536 605 P HA 0.305 nan 4.420 nan 0.000 0.279 605 P C 0.080 177.387 177.300 0.012 0.000 1.282 605 P CA -0.664 62.429 63.100 -0.012 0.000 0.788 605 P CB 0.493 32.212 31.700 0.032 0.000 1.139 606 K N -2.667 117.743 120.400 0.017 0.000 3.529 606 K HA -0.166 4.154 4.320 -0.000 0.000 0.313 606 K C -0.131 176.479 176.600 0.017 0.000 1.316 606 K CA 0.770 57.071 56.287 0.023 0.000 0.988 606 K CB -2.231 30.289 32.500 0.034 0.000 1.252 606 K HN 0.344 nan 8.250 nan 0.000 0.438 607 L N 1.144 122.374 121.223 0.012 0.000 2.260 607 L HA 0.401 4.740 4.340 -0.000 0.000 0.289 607 L C 0.134 177.032 176.870 0.045 0.000 1.057 607 L CA -0.471 54.376 54.840 0.011 0.000 0.811 607 L CB 1.702 43.765 42.059 0.006 0.000 1.184 607 L HN 0.059 nan 8.230 nan 0.000 0.429 608 S N 4.714 120.454 115.700 0.068 0.000 2.614 608 S HA 0.502 4.971 4.470 -0.000 0.000 0.259 608 S C -1.514 173.183 174.600 0.162 0.000 1.118 608 S CA -0.721 57.537 58.200 0.096 0.000 1.065 608 S CB 0.589 63.818 63.200 0.048 0.000 1.121 608 S HN 0.622 nan 8.310 nan 0.000 0.458 609 W N 3.669 124.901 121.300 -0.113 0.000 3.033 609 W HA 0.625 5.285 4.660 -0.000 0.000 0.336 609 W C -1.786 174.652 176.519 -0.135 0.000 1.173 609 W CA -0.973 56.282 57.345 -0.149 0.000 1.185 609 W CB 0.903 30.224 29.460 -0.231 0.000 1.425 609 W HN 0.510 nan 8.180 nan 0.000 0.536 610 D N 3.664 123.815 120.400 -0.416 0.000 2.493 610 D HA 0.153 4.792 4.640 -0.000 0.000 0.235 610 D C 1.579 177.335 176.300 -0.906 0.000 1.117 610 D CA -0.206 53.452 54.000 -0.570 0.000 0.930 610 D CB 0.674 41.302 40.800 -0.287 0.000 1.010 610 D HN 0.553 nan 8.370 nan 0.000 0.514 611 R N 2.951 122.534 120.500 -1.529 0.000 2.159 611 R HA -0.220 4.120 4.340 -0.000 0.000 0.249 611 R C 1.766 177.798 176.300 -0.447 0.000 1.136 611 R CA 1.462 56.717 56.100 -1.409 0.000 0.951 611 R CB -0.283 29.511 30.300 -0.844 0.000 0.876 611 R HN 0.478 nan 8.270 nan 0.000 0.440 612 L N 0.339 121.401 121.223 -0.268 0.000 2.083 612 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 612 L C 2.609 179.456 176.870 -0.038 0.000 1.083 612 L CA 1.304 56.123 54.840 -0.035 0.000 0.752 612 L CB -0.143 41.880 42.059 -0.060 0.000 0.899 612 L HN 0.225 nan 8.230 nan 0.000 0.433 613 R N -0.140 120.242 120.500 -0.197 0.000 2.240 613 R HA 0.065 4.405 4.340 -0.000 0.000 0.203 613 R C 1.094 177.162 176.300 -0.387 0.000 1.011 613 R CA 0.803 56.788 56.100 -0.192 0.000 1.007 613 R CB -0.334 29.869 30.300 -0.161 0.000 0.911 613 R HN 0.496 nan 8.270 nan 0.000 0.468 614 G N 1.919 110.274 108.800 -0.743 0.000 2.273 614 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.280 614 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.280 614 G C -0.191 174.394 174.900 -0.525 0.000 1.047 614 G CA 0.251 44.551 45.100 -1.334 0.000 0.869 614 G HN 0.212 nan 8.290 nan 0.000 0.502 615 Q N -0.994 118.664 119.800 -0.236 0.000 2.359 615 Q HA 0.721 5.061 4.340 -0.000 0.000 0.274 615 Q C 0.442 176.490 176.000 0.079 0.000 1.074 615 Q CA 0.379 56.154 55.803 -0.048 0.000 0.810 615 Q CB 2.119 30.814 28.738 -0.072 0.000 1.342 615 Q HN 1.699 nan 8.270 nan 0.000 0.427 616 G N 1.396 110.264 108.800 0.114 0.000 2.318 616 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.367 616 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.367 616 G C -1.367 173.603 174.900 0.115 0.000 1.260 616 G CA -0.962 44.212 45.100 0.125 0.000 1.055 616 G HN 0.386 nan 8.290 nan 0.000 0.484 617 R N 1.527 122.066 120.500 0.066 0.000 2.312 617 R HA 0.435 4.774 4.340 -0.000 0.000 0.310 617 R C -1.698 174.493 176.300 -0.183 0.000 1.064 617 R CA -1.719 54.357 56.100 -0.039 0.000 0.983 617 R CB 1.561 31.857 30.300 -0.007 0.000 1.139 617 R HN 0.316 nan 8.270 nan 0.000 0.536 618 P HA -0.021 nan 4.420 nan 0.000 0.224 618 P C -0.213 176.646 177.300 -0.735 0.000 1.157 618 P CA 0.745 63.231 63.100 -1.024 0.000 0.799 618 P CB 0.330 30.636 31.700 -2.323 0.000 0.809 619 F N -0.925 118.777 119.950 -0.413 0.000 2.458 619 F HA 0.322 4.849 4.527 -0.000 0.000 0.330 619 F C 1.878 177.472 175.800 -0.342 0.000 1.082 619 F CA -1.159 56.554 58.000 -0.477 0.000 0.995 619 F CB 2.013 40.537 39.000 -0.793 0.000 1.170 619 F HN -0.323 nan 8.300 nan 0.000 0.478 620 L N 2.005 123.185 121.223 -0.071 0.000 2.209 620 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 620 L C -0.707 176.242 176.870 0.131 0.000 1.094 620 L CA 0.857 55.732 54.840 0.059 0.000 0.790 620 L CB 0.246 42.428 42.059 0.204 0.000 0.932 620 L HN 0.804 nan 8.230 nan 0.000 0.447 621 Y N -4.849 115.290 120.300 -0.268 0.000 2.779 621 Y HA 0.452 5.002 4.550 -0.001 0.000 0.340 621 Y C -1.579 173.951 175.900 -0.617 0.000 1.252 621 Y CA -2.012 55.905 58.100 -0.304 0.000 1.072 621 Y CB 0.425 38.830 38.460 -0.093 0.000 1.343 621 Y HN -0.227 nan 8.280 nan 0.000 0.450 622 F N 1.264 121.163 119.950 -0.084 0.000 2.522 622 F HA 0.863 5.390 4.527 -0.000 0.000 0.324 622 F C 0.164 175.697 175.800 -0.445 0.000 1.077 622 F CA -0.873 56.886 58.000 -0.401 0.000 0.944 622 F CB 2.302 40.999 39.000 -0.504 0.000 1.175 622 F HN 0.794 nan 8.300 nan 0.000 0.468 623 A N 2.645 125.299 122.820 -0.277 0.000 2.305 623 A HA 0.749 5.068 4.320 -0.000 0.000 0.322 623 A C -1.576 175.716 177.584 -0.487 0.000 1.187 623 A CA -0.369 51.537 52.037 -0.219 0.000 0.825 623 A CB 0.270 19.292 19.000 0.037 0.000 1.164 623 A HN 0.745 nan 8.150 nan 0.000 0.498 624 Y N 0.613 120.808 120.300 -0.174 0.000 2.675 624 Y HA 0.763 5.313 4.550 -0.000 0.000 0.328 624 Y C 0.896 176.474 175.900 -0.537 0.000 1.092 624 Y CA 0.023 57.943 58.100 -0.299 0.000 1.190 624 Y CB 2.334 40.597 38.460 -0.327 0.000 1.350 624 Y HN 1.152 nan 8.280 nan 0.000 0.525 625 G N -0.531 108.155 108.800 -0.190 0.000 2.352 625 G HA2 0.509 4.468 3.960 -0.000 0.000 0.303 625 G HA3 0.509 4.468 3.960 -0.000 0.000 0.303 625 G C -2.197 172.672 174.900 -0.053 0.000 1.593 625 G CA -0.274 44.725 45.100 -0.168 0.000 0.963 625 G HN 0.852 nan 8.290 nan 0.000 0.685 626 A N -0.470 122.333 122.820 -0.029 0.000 2.430 626 A HA 1.146 5.466 4.320 -0.000 0.000 0.300 626 A C -0.014 177.569 177.584 -0.002 0.000 1.124 626 A CA 0.076 52.100 52.037 -0.021 0.000 0.766 626 A CB 1.833 20.792 19.000 -0.069 0.000 1.328 626 A HN 2.617 nan 8.150 nan 0.000 0.424 627 A N 0.665 123.480 122.820 -0.008 0.000 2.459 627 A HA 0.701 5.020 4.320 -0.000 0.000 0.296 627 A C -1.191 176.368 177.584 -0.042 0.000 1.039 627 A CA -0.261 51.748 52.037 -0.046 0.000 0.698 627 A CB 0.747 19.725 19.000 -0.037 0.000 1.261 627 A HN 0.727 nan 8.150 nan 0.000 0.405 628 I N 2.024 122.551 120.570 -0.071 0.000 2.362 628 I HA 0.446 4.616 4.170 -0.000 0.000 0.289 628 I C -0.277 175.844 176.117 0.007 0.000 0.994 628 I CA -0.197 61.087 61.300 -0.027 0.000 1.158 628 I CB 2.299 40.267 38.000 -0.052 0.000 1.315 628 I HN 0.576 nan 8.210 nan 0.000 0.451 629 T N 4.892 119.483 114.554 0.061 0.000 2.807 629 T HA 0.328 4.677 4.350 -0.000 0.000 0.279 629 T C -0.578 174.145 174.700 0.038 0.000 0.993 629 T CA -0.619 61.513 62.100 0.053 0.000 0.970 629 T CB 1.839 70.776 68.868 0.114 0.000 0.950 629 T HN 0.544 nan 8.240 nan 0.000 0.441 630 E N 2.165 122.360 120.200 -0.008 0.000 2.191 630 E HA 0.658 5.008 4.350 -0.000 0.000 0.274 630 E C -0.936 175.619 176.600 -0.077 0.000 0.948 630 E CA -0.815 55.555 56.400 -0.050 0.000 0.802 630 E CB 1.028 30.680 29.700 -0.080 0.000 1.137 630 E HN 0.518 nan 8.360 nan 0.000 0.397 631 V N 0.680 120.534 119.914 -0.100 0.000 3.147 631 V HA 0.691 4.810 4.120 -0.000 0.000 0.306 631 V C -0.668 175.348 176.094 -0.130 0.000 1.209 631 V CA -1.027 61.211 62.300 -0.104 0.000 1.023 631 V CB 1.355 33.129 31.823 -0.082 0.000 1.059 631 V HN 0.472 nan 8.190 nan 0.000 0.435 632 V N 1.131 120.979 119.914 -0.110 0.000 2.555 632 V HA 0.820 4.940 4.120 -0.000 0.000 0.302 632 V C -0.227 175.844 176.094 -0.038 0.000 1.038 632 V CA -0.643 61.608 62.300 -0.082 0.000 0.887 632 V CB 1.280 33.059 31.823 -0.073 0.000 0.991 632 V HN 1.200 nan 8.190 nan 0.000 0.434 633 I N -0.020 120.547 120.570 -0.006 0.000 2.436 633 I HA 0.711 4.881 4.170 -0.000 0.000 0.289 633 I C -0.753 175.376 176.117 0.019 0.000 1.010 633 I CA -0.536 60.758 61.300 -0.010 0.000 1.098 633 I CB 1.807 39.784 38.000 -0.039 0.000 1.266 633 I HN 0.687 nan 8.210 nan 0.000 0.434 634 D N 5.508 125.913 120.400 0.007 0.000 2.339 634 D HA 0.218 4.858 4.640 -0.000 0.000 0.241 634 D C 0.816 177.112 176.300 -0.006 0.000 1.183 634 D CA -0.368 53.637 54.000 0.009 0.000 0.859 634 D CB 1.062 41.864 40.800 0.005 0.000 1.067 634 D HN 0.512 nan 8.370 nan 0.000 0.484 635 R N 2.907 123.404 120.500 -0.006 0.000 2.285 635 R HA -0.005 4.335 4.340 -0.000 0.000 0.213 635 R C 1.396 177.685 176.300 -0.019 0.000 1.068 635 R CA 0.529 56.619 56.100 -0.016 0.000 1.004 635 R CB 0.008 30.298 30.300 -0.017 0.000 0.873 635 R HN 0.566 nan 8.270 nan 0.000 0.467 636 L N -0.463 120.751 121.223 -0.016 0.000 2.162 636 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 636 L C 2.246 179.106 176.870 -0.017 0.000 1.086 636 L CA 1.463 56.293 54.840 -0.016 0.000 0.778 636 L CB -0.001 42.049 42.059 -0.014 0.000 0.928 636 L HN 0.238 nan 8.230 nan 0.000 0.446 637 T N -6.011 108.532 114.554 -0.017 0.000 2.958 637 T HA 0.308 4.658 4.350 -0.000 0.000 0.256 637 T C 1.395 176.081 174.700 -0.024 0.000 0.983 637 T CA 0.489 62.577 62.100 -0.019 0.000 0.924 637 T CB 1.062 69.920 68.868 -0.017 0.000 1.136 637 T HN 0.303 nan 8.240 nan 0.000 0.506 638 G N 1.476 110.260 108.800 -0.026 0.000 2.176 638 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.253 638 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.253 638 G C -0.193 174.686 174.900 -0.035 0.000 0.979 638 G CA 0.052 45.131 45.100 -0.034 0.000 0.641 638 G HN 0.678 nan 8.290 nan 0.000 0.530 639 E N 0.794 120.977 120.200 -0.029 0.000 2.452 639 E HA 0.374 4.724 4.350 -0.000 0.000 0.261 639 E C 0.522 177.103 176.600 -0.031 0.000 0.987 639 E CA 1.019 57.401 56.400 -0.029 0.000 0.926 639 E CB 0.175 29.863 29.700 -0.021 0.000 0.934 639 E HN 0.820 nan 8.360 nan 0.000 0.452 640 N N 1.308 119.984 118.700 -0.040 0.000 2.598 640 N HA 0.508 5.248 4.740 -0.000 0.000 0.263 640 N C -1.560 173.917 175.510 -0.054 0.000 1.254 640 N CA -1.122 51.900 53.050 -0.047 0.000 0.863 640 N CB 1.339 39.791 38.487 -0.059 0.000 1.586 640 N HN 0.405 nan 8.380 nan 0.000 0.491 641 R N 0.232 120.697 120.500 -0.059 0.000 2.692 641 R HA 0.517 4.857 4.340 -0.000 0.000 0.269 641 R C -0.940 175.314 176.300 -0.077 0.000 1.030 641 R CA -1.085 54.975 56.100 -0.067 0.000 0.882 641 R CB 0.738 31.006 30.300 -0.055 0.000 1.250 641 R HN 0.368 nan 8.270 nan 0.000 0.465 642 I N 1.962 122.482 120.570 -0.084 0.000 2.993 642 I HA -0.005 4.164 4.170 -0.000 0.000 0.286 642 I C 1.004 177.067 176.117 -0.091 0.000 1.215 642 I CA -0.007 61.240 61.300 -0.088 0.000 1.393 642 I CB 0.246 38.185 38.000 -0.101 0.000 1.371 642 I HN 0.751 nan 8.210 nan 0.000 0.602 643 L N 2.658 123.822 121.223 -0.097 0.000 2.758 643 L HA 0.284 4.624 4.340 -0.000 0.000 0.234 643 L C 0.677 177.493 176.870 -0.091 0.000 1.049 643 L CA 0.101 54.883 54.840 -0.097 0.000 0.908 643 L CB 0.582 42.566 42.059 -0.124 0.000 1.362 643 L HN 0.613 nan 8.230 nan 0.000 0.499 644 R N -0.593 119.851 120.500 -0.092 0.000 2.629 644 R HA 0.505 4.845 4.340 -0.000 0.000 0.266 644 R C -1.753 174.489 176.300 -0.097 0.000 1.051 644 R CA -0.281 55.768 56.100 -0.085 0.000 0.895 644 R CB 2.250 32.518 30.300 -0.053 0.000 1.246 644 R HN -0.203 nan 8.270 nan 0.000 0.459 645 T N 2.127 116.604 114.554 -0.127 0.000 2.916 645 T HA 0.356 4.706 4.350 -0.000 0.000 0.298 645 T C -1.748 172.910 174.700 -0.071 0.000 1.031 645 T CA -0.724 61.273 62.100 -0.171 0.000 0.993 645 T CB 1.688 70.289 68.868 -0.444 0.000 1.045 645 T HN 0.508 nan 8.240 nan 0.000 0.454 646 D N 1.896 122.254 120.400 -0.070 0.000 2.502 646 D HA 0.616 5.256 4.640 -0.000 0.000 0.249 646 D C -0.519 175.746 176.300 -0.058 0.000 1.092 646 D CA -0.317 53.667 54.000 -0.026 0.000 0.839 646 D CB 1.372 42.172 40.800 0.000 0.000 1.264 646 D HN 0.376 nan 8.370 nan 0.000 0.511 647 I N 1.702 122.255 120.570 -0.028 0.000 2.569 647 I HA 0.421 4.591 4.170 -0.000 0.000 0.296 647 I C -0.956 175.183 176.117 0.036 0.000 1.028 647 I CA -1.118 60.171 61.300 -0.018 0.000 1.082 647 I CB 2.113 40.095 38.000 -0.031 0.000 1.264 647 I HN 0.136 nan 8.210 nan 0.000 0.429 648 L N 5.941 127.200 121.223 0.060 0.000 2.480 648 L HA 0.396 4.736 4.340 -0.000 0.000 0.253 648 L C -0.704 176.248 176.870 0.137 0.000 1.324 648 L CA -0.126 54.779 54.840 0.110 0.000 0.916 648 L CB 0.200 42.325 42.059 0.109 0.000 1.160 648 L HN 0.528 nan 8.230 nan 0.000 0.503 649 H N 0.689 119.808 119.070 0.082 0.000 2.505 649 H HA 0.389 4.945 4.556 -0.000 0.000 0.351 649 H C -0.769 174.661 175.328 0.171 0.000 1.151 649 H CA -0.011 56.091 56.048 0.091 0.000 1.339 649 H CB 1.128 30.927 29.762 0.062 0.000 1.483 649 H HN 0.509 nan 8.280 nan 0.000 0.558 650 D N 2.403 122.671 120.400 -0.219 0.000 2.359 650 D HA 0.283 4.922 4.640 -0.000 0.000 0.230 650 D C -0.340 176.083 176.300 0.205 0.000 1.118 650 D CA -0.163 53.904 54.000 0.112 0.000 0.844 650 D CB 0.829 41.684 40.800 0.090 0.000 1.059 650 D HN 0.634 nan 8.370 nan 0.000 0.493 651 A N 3.057 126.038 122.820 0.268 0.000 2.430 651 A HA 0.612 4.932 4.320 -0.000 0.000 0.243 651 A C 1.290 178.970 177.584 0.161 0.000 1.254 651 A CA 0.489 52.661 52.037 0.226 0.000 0.914 651 A CB -0.432 18.676 19.000 0.181 0.000 0.998 651 A HN 0.873 nan 8.150 nan 0.000 0.515 652 G N 0.081 108.985 108.800 0.173 0.000 2.566 652 G HA2 0.099 4.058 3.960 -0.000 0.000 0.280 652 G HA3 0.099 4.058 3.960 -0.000 0.000 0.280 652 G C 0.578 175.515 174.900 0.061 0.000 1.225 652 G CA 0.036 45.204 45.100 0.112 0.000 0.966 652 G HN 1.776 nan 8.290 nan 0.000 0.560 653 A N 0.025 122.864 122.820 0.032 0.000 2.671 653 A HA 0.649 4.969 4.320 -0.000 0.000 0.306 653 A C 0.932 178.532 177.584 0.026 0.000 1.473 653 A CA 1.440 53.488 52.037 0.019 0.000 1.155 653 A CB -0.315 18.699 19.000 0.023 0.000 1.123 653 A HN 2.213 nan 8.150 nan 0.000 0.545 654 S N 2.011 117.724 115.700 0.021 0.000 2.573 654 S HA 0.081 4.550 4.470 -0.000 0.000 0.297 654 S C 1.324 175.917 174.600 -0.011 0.000 1.280 654 S CA -0.213 57.998 58.200 0.018 0.000 1.061 654 S CB -0.068 63.141 63.200 0.016 0.000 0.812 654 S HN 0.561 nan 8.310 nan 0.000 0.500 655 L N 3.596 124.810 121.223 -0.015 0.000 2.095 655 L HA 0.131 4.471 4.340 -0.000 0.000 0.204 655 L C 1.201 178.030 176.870 -0.069 0.000 1.080 655 L CA 0.598 55.402 54.840 -0.059 0.000 0.759 655 L CB -0.150 41.880 42.059 -0.047 0.000 0.914 655 L HN 0.592 nan 8.230 nan 0.000 0.439 656 N N -1.153 117.525 118.700 -0.038 0.000 2.607 656 N HA 0.176 4.916 4.740 -0.000 0.000 0.271 656 N C -2.216 173.282 175.510 -0.019 0.000 1.142 656 N CA -1.394 51.635 53.050 -0.034 0.000 0.810 656 N CB 1.754 40.224 38.487 -0.029 0.000 1.306 656 N HN -0.267 nan 8.380 nan 0.000 0.536 657 P HA -0.161 nan 4.420 nan 0.000 0.215 657 P C 1.081 178.372 177.300 -0.015 0.000 1.163 657 P CA 1.863 64.955 63.100 -0.013 0.000 0.894 657 P CB 0.360 32.048 31.700 -0.019 0.000 0.791 658 A N -0.715 122.094 122.820 -0.018 0.000 1.873 658 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 658 A C 2.307 179.880 177.584 -0.018 0.000 1.193 658 A CA 1.792 53.818 52.037 -0.019 0.000 0.629 658 A CB -1.741 17.250 19.000 -0.015 0.000 0.826 658 A HN 0.109 nan 8.150 nan 0.000 0.447 659 L N -0.735 120.482 121.223 -0.009 0.000 2.083 659 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 659 L C 2.141 179.004 176.870 -0.012 0.000 1.083 659 L CA 1.533 56.371 54.840 -0.003 0.000 0.752 659 L CB -0.675 41.390 42.059 0.011 0.000 0.899 659 L HN 0.329 nan 8.230 nan 0.000 0.433 660 D N 0.149 120.543 120.400 -0.010 0.000 2.117 660 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 660 D C 2.246 178.530 176.300 -0.025 0.000 0.982 660 D CA 1.156 55.151 54.000 -0.008 0.000 0.828 660 D CB -0.059 40.751 40.800 0.016 0.000 0.967 660 D HN 0.271 nan 8.370 nan 0.000 0.464 661 I N 0.771 121.322 120.570 -0.030 0.000 2.226 661 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 661 I C 2.496 178.557 176.117 -0.093 0.000 1.100 661 I CA 1.308 62.572 61.300 -0.059 0.000 1.374 661 I CB -0.415 37.549 38.000 -0.060 0.000 1.057 661 I HN 0.020 nan 8.210 nan 0.000 0.413 662 G N -0.127 108.630 108.800 -0.071 0.000 2.480 662 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 662 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 662 G C 1.527 176.396 174.900 -0.052 0.000 1.200 662 G CA 0.409 45.468 45.100 -0.069 0.000 0.782 662 G HN 0.270 nan 8.290 nan 0.000 0.554 663 Q N 0.254 120.033 119.800 -0.035 0.000 2.029 663 Q HA -0.176 4.164 4.340 -0.000 0.000 0.209 663 Q C 2.763 178.745 176.000 -0.030 0.000 0.999 663 Q CA 1.611 57.401 55.803 -0.021 0.000 0.857 663 Q CB -0.519 28.199 28.738 -0.033 0.000 0.926 663 Q HN 0.594 nan 8.270 nan 0.000 0.415 664 I N 0.934 121.456 120.570 -0.079 0.000 2.113 664 I HA -0.333 3.837 4.170 -0.000 0.000 0.242 664 I C 2.354 178.466 176.117 -0.007 0.000 1.064 664 I CA 1.541 62.786 61.300 -0.091 0.000 1.320 664 I CB -0.413 37.515 38.000 -0.120 0.000 1.028 664 I HN 0.289 nan 8.210 nan 0.000 0.406 665 E N 0.552 120.696 120.200 -0.094 0.000 2.065 665 E HA -0.246 4.104 4.350 -0.000 0.000 0.201 665 E C 2.283 178.957 176.600 0.124 0.000 1.016 665 E CA 1.524 57.831 56.400 -0.154 0.000 0.818 665 E CB -0.469 28.991 29.700 -0.399 0.000 0.749 665 E HN 0.668 nan 8.360 nan 0.000 0.453 666 G N 0.636 109.480 108.800 0.074 0.000 2.403 666 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 666 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 666 G C 1.668 176.647 174.900 0.132 0.000 1.154 666 G CA 0.745 45.916 45.100 0.119 0.000 0.784 666 G HN 0.347 nan 8.290 nan 0.000 0.538 667 A N 0.292 123.188 122.820 0.126 0.000 1.877 667 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 667 A C 2.212 179.792 177.584 -0.007 0.000 1.186 667 A CA 1.794 53.903 52.037 0.121 0.000 0.620 667 A CB -0.806 18.249 19.000 0.091 0.000 0.822 667 A HN 0.483 nan 8.150 nan 0.000 0.443 668 Y N 0.854 121.132 120.300 -0.036 0.000 2.128 668 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 668 Y C 2.299 178.141 175.900 -0.097 0.000 1.154 668 Y CA 1.958 60.025 58.100 -0.055 0.000 1.149 668 Y CB -0.472 38.048 38.460 0.099 0.000 0.976 668 Y HN 0.061 nan 8.280 nan 0.000 0.505 669 V N 0.763 120.628 119.914 -0.083 0.000 2.287 669 V HA -0.357 3.763 4.120 -0.000 0.000 0.248 669 V C 2.408 178.341 176.094 -0.269 0.000 1.053 669 V CA 2.404 64.588 62.300 -0.193 0.000 1.027 669 V CB -0.867 30.966 31.823 0.017 0.000 0.646 669 V HN 0.490 nan 8.190 nan 0.000 0.447 670 Q N -0.160 119.520 119.800 -0.199 0.000 2.224 670 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 670 Q C 2.195 177.908 176.000 -0.478 0.000 0.970 670 Q CA 1.422 57.121 55.803 -0.174 0.000 0.865 670 Q CB -0.255 28.522 28.738 0.065 0.000 0.922 670 Q HN 0.692 nan 8.270 nan 0.000 0.445 671 G N 0.221 108.453 108.800 -0.946 0.000 2.404 671 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.214 671 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.214 671 G C 1.410 176.017 174.900 -0.487 0.000 1.189 671 G CA 0.713 45.048 45.100 -1.276 0.000 0.789 671 G HN 0.451 nan 8.290 nan 0.000 0.533 672 A N 0.940 123.445 122.820 -0.526 0.000 1.902 672 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 672 A C 2.714 180.150 177.584 -0.246 0.000 1.181 672 A CA 2.058 53.861 52.037 -0.390 0.000 0.623 672 A CB -1.143 17.528 19.000 -0.549 0.000 0.818 672 A HN 0.569 nan 8.150 nan 0.000 0.443 673 G N -1.617 107.043 108.800 -0.233 0.000 2.475 673 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.220 673 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.220 673 G C 1.336 176.195 174.900 -0.068 0.000 1.125 673 G CA 1.190 46.197 45.100 -0.156 0.000 0.755 673 G HN 0.750 nan 8.290 nan 0.000 0.565 674 W N 0.751 121.917 121.300 -0.224 0.000 2.436 674 W HA 0.214 4.874 4.660 -0.000 0.000 0.284 674 W C 1.550 177.989 176.519 -0.134 0.000 1.225 674 W CA 0.592 57.844 57.345 -0.155 0.000 1.271 674 W CB -0.065 29.329 29.460 -0.109 0.000 1.114 674 W HN 0.091 nan 8.180 nan 0.000 0.559 675 L N 0.872 121.905 121.223 -0.317 0.000 2.769 675 L HA 0.194 4.534 4.340 -0.000 0.000 0.240 675 L C 1.625 178.414 176.870 -0.135 0.000 1.163 675 L CA 0.780 55.365 54.840 -0.425 0.000 0.962 675 L CB -0.506 41.270 42.059 -0.472 0.000 1.258 675 L HN 0.012 nan 8.230 nan 0.000 0.513 676 T N -5.386 109.086 114.554 -0.137 0.000 3.409 676 T HA -0.011 4.338 4.350 -0.000 0.000 0.188 676 T C 1.455 176.081 174.700 -0.123 0.000 0.929 676 T CA 0.777 62.817 62.100 -0.100 0.000 1.184 676 T CB -0.211 68.589 68.868 -0.113 0.000 1.570 676 T HN 0.053 nan 8.240 nan 0.000 0.367 677 T N -0.530 113.928 114.554 -0.160 0.000 3.040 677 T HA 0.320 4.670 4.350 -0.000 0.000 0.250 677 T C 0.360 174.889 174.700 -0.286 0.000 1.058 677 T CA -0.243 61.745 62.100 -0.188 0.000 0.988 677 T CB -0.339 68.421 68.868 -0.180 0.000 0.993 677 T HN 0.465 nan 8.240 nan 0.000 0.519 678 E N 1.876 121.884 120.200 -0.320 0.000 2.152 678 E HA 0.357 4.706 4.350 -0.000 0.000 0.285 678 E C -0.476 175.965 176.600 -0.266 0.000 1.043 678 E CA -0.139 55.939 56.400 -0.537 0.000 0.839 678 E CB 0.751 30.213 29.700 -0.396 0.000 1.069 678 E HN 0.483 nan 8.360 nan 0.000 0.399 679 E N 4.194 124.245 120.200 -0.247 0.000 2.290 679 E HA 0.260 4.610 4.350 -0.000 0.000 0.274 679 E C -1.353 175.333 176.600 0.143 0.000 0.889 679 E CA -0.629 55.775 56.400 0.007 0.000 0.760 679 E CB 1.194 30.874 29.700 -0.033 0.000 1.206 679 E HN 0.386 nan 8.360 nan 0.000 0.419 680 L N 3.887 125.200 121.223 0.150 0.000 2.275 680 L HA 0.482 4.822 4.340 -0.000 0.000 0.288 680 L C -0.812 175.963 176.870 -0.158 0.000 1.046 680 L CA -0.773 54.018 54.840 -0.082 0.000 0.805 680 L CB 1.546 43.507 42.059 -0.164 0.000 1.193 680 L HN 0.321 nan 8.230 nan 0.000 0.426 681 V N 2.538 122.260 119.914 -0.321 0.000 2.482 681 V HA 0.375 4.494 4.120 -0.000 0.000 0.295 681 V C -0.736 175.252 176.094 -0.176 0.000 1.026 681 V CA -0.666 61.576 62.300 -0.096 0.000 0.856 681 V CB 1.694 33.509 31.823 -0.013 0.000 1.001 681 V HN 0.619 nan 8.190 nan 0.000 0.424 682 W N 3.114 124.457 121.300 0.073 0.000 2.496 682 W HA 0.404 5.064 4.660 -0.000 0.000 0.327 682 W C 0.175 176.735 176.519 0.069 0.000 1.086 682 W CA -0.528 56.856 57.345 0.066 0.000 1.222 682 W CB 2.053 31.545 29.460 0.054 0.000 1.304 682 W HN 0.751 nan 8.180 nan 0.000 0.547 683 D N 0.482 121.041 120.400 0.264 0.000 2.414 683 D HA -0.125 4.515 4.640 -0.000 0.000 0.259 683 D C 1.575 178.002 176.300 0.211 0.000 1.269 683 D CA 0.258 54.395 54.000 0.229 0.000 1.028 683 D CB 0.006 40.922 40.800 0.192 0.000 1.093 683 D HN 0.507 nan 8.370 nan 0.000 0.545 684 H N -1.375 117.746 119.070 0.085 0.000 2.561 684 H HA 0.005 4.560 4.556 -0.000 0.000 0.278 684 H C 0.675 176.030 175.328 0.045 0.000 1.014 684 H CA 0.351 56.434 56.048 0.059 0.000 1.211 684 H CB -0.848 28.938 29.762 0.039 0.000 1.365 684 H HN 0.283 nan 8.280 nan 0.000 0.594 685 C N 0.371 119.477 119.300 -0.323 0.000 3.104 685 C HA 0.487 4.947 4.460 -0.000 0.000 0.284 685 C C 1.750 176.688 174.990 -0.086 0.000 1.326 685 C CA 0.150 59.019 59.018 -0.248 0.000 1.725 685 C CB -0.334 27.191 27.740 -0.358 0.000 2.156 685 C HN 0.848 nan 8.230 nan 0.000 0.638 686 G N 1.755 110.569 108.800 0.022 0.000 2.147 686 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 686 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 686 G C -0.070 174.979 174.900 0.248 0.000 1.005 686 G CA -0.330 44.849 45.100 0.132 0.000 0.713 686 G HN 0.630 nan 8.290 nan 0.000 0.515 687 R N -0.363 120.232 120.500 0.158 0.000 2.216 687 R HA 0.401 4.741 4.340 -0.000 0.000 0.332 687 R C 0.382 176.763 176.300 0.135 0.000 1.056 687 R CA -0.852 55.314 56.100 0.110 0.000 0.901 687 R CB 0.869 31.176 30.300 0.011 0.000 1.039 687 R HN 0.215 nan 8.270 nan 0.000 0.456 688 L N 4.887 126.155 121.223 0.075 0.000 2.565 688 L HA -0.022 4.318 4.340 -0.000 0.000 0.275 688 L C 0.913 177.788 176.870 0.007 0.000 1.137 688 L CA 0.547 55.276 54.840 -0.185 0.000 0.915 688 L CB 0.470 42.384 42.059 -0.242 0.000 1.232 688 L HN 0.696 nan 8.230 nan 0.000 0.473 689 M N 2.020 121.596 119.600 -0.040 0.000 2.319 689 M HA 0.006 4.486 4.480 -0.000 0.000 0.265 689 M C 1.123 177.378 176.300 -0.075 0.000 1.068 689 M CA 0.886 56.200 55.300 0.024 0.000 1.118 689 M CB -1.303 31.302 32.600 0.009 0.000 1.395 689 M HN 0.713 nan 8.290 nan 0.000 0.435 690 T N -1.133 113.344 114.554 -0.128 0.000 3.598 690 T HA 0.207 4.557 4.350 -0.000 0.000 0.343 690 T C 0.627 175.269 174.700 -0.097 0.000 1.697 690 T CA -0.553 61.479 62.100 -0.113 0.000 1.247 690 T CB -0.953 67.891 68.868 -0.039 0.000 1.210 690 T HN 0.510 nan 8.240 nan 0.000 0.820 691 H N 0.145 119.182 119.070 -0.055 0.000 2.592 691 H HA 0.669 5.224 4.556 -0.000 0.000 0.279 691 H C 0.088 175.416 175.328 0.001 0.000 1.089 691 H CA -0.673 55.340 56.048 -0.057 0.000 1.150 691 H CB 0.128 29.852 29.762 -0.064 0.000 1.575 691 H HN 0.597 nan 8.280 nan 0.000 0.547 692 A N 1.821 124.585 122.820 -0.093 0.000 2.485 692 A HA 0.486 4.805 4.320 -0.000 0.000 0.292 692 A C -2.027 175.652 177.584 0.159 0.000 1.147 692 A CA -1.696 50.359 52.037 0.030 0.000 0.750 692 A CB 1.719 20.684 19.000 -0.058 0.000 1.331 692 A HN -0.023 nan 8.150 nan 0.000 0.419 693 P HA -0.041 nan 4.420 nan 0.000 0.226 693 P C 1.151 178.510 177.300 0.099 0.000 1.153 693 P CA 1.454 64.735 63.100 0.300 0.000 0.777 693 P CB 0.125 32.079 31.700 0.423 0.000 0.794 694 S N -0.620 115.114 115.700 0.056 0.000 2.447 694 S HA -0.063 4.407 4.470 -0.000 0.000 0.233 694 S C 1.711 176.297 174.600 -0.024 0.000 1.006 694 S CA 1.833 60.035 58.200 0.005 0.000 0.957 694 S CB -0.856 62.340 63.200 -0.007 0.000 0.773 694 S HN 0.428 nan 8.310 nan 0.000 0.507 695 T N -2.873 111.668 114.554 -0.022 0.000 2.964 695 T HA 0.240 4.590 4.350 -0.000 0.000 0.249 695 T C 0.114 174.819 174.700 0.007 0.000 1.000 695 T CA -0.306 61.772 62.100 -0.037 0.000 0.992 695 T CB -0.258 68.557 68.868 -0.088 0.000 1.087 695 T HN 0.266 nan 8.240 nan 0.000 0.489 696 Y N 2.919 123.172 120.300 -0.078 0.000 2.341 696 Y HA 0.529 5.079 4.550 -0.000 0.000 0.340 696 Y C -0.629 175.188 175.900 -0.140 0.000 0.997 696 Y CA -1.121 56.931 58.100 -0.079 0.000 1.149 696 Y CB 0.838 39.286 38.460 -0.020 0.000 1.171 696 Y HN -0.180 nan 8.280 nan 0.000 0.494 697 K N 9.100 129.177 120.400 -0.539 0.000 2.499 697 K HA 0.220 4.539 4.320 -0.000 0.000 0.215 697 K C -0.234 176.087 176.600 -0.464 0.000 1.041 697 K CA -0.465 55.583 56.287 -0.399 0.000 1.031 697 K CB 0.241 32.583 32.500 -0.264 0.000 1.479 697 K HN 0.686 nan 8.250 nan 0.000 0.518 698 I N -0.161 120.126 120.570 -0.472 0.000 3.060 698 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 698 I C -1.979 173.988 176.117 -0.251 0.000 1.190 698 I CA -1.681 59.407 61.300 -0.354 0.000 1.363 698 I CB -0.553 37.238 38.000 -0.348 0.000 1.396 698 I HN 0.152 nan 8.210 nan 0.000 0.607 699 P HA 0.192 nan 4.420 nan 0.000 0.263 699 P C -0.714 176.524 177.300 -0.103 0.000 1.195 699 P CA -0.032 62.983 63.100 -0.141 0.000 0.762 699 P CB 0.497 32.118 31.700 -0.133 0.000 0.799 700 A N 3.420 126.198 122.820 -0.070 0.000 2.320 700 A HA 0.415 4.735 4.320 -0.000 0.000 0.334 700 A C 0.925 178.548 177.584 0.065 0.000 1.147 700 A CA -0.799 51.236 52.037 -0.003 0.000 0.820 700 A CB 0.237 19.234 19.000 -0.005 0.000 1.218 700 A HN 0.500 nan 8.150 nan 0.000 0.482 701 F N 2.222 122.166 119.950 -0.009 0.000 2.138 701 F HA -0.419 4.108 4.527 -0.000 0.000 0.290 701 F C 2.730 178.534 175.800 0.006 0.000 1.133 701 F CA 3.528 61.534 58.000 0.011 0.000 1.280 701 F CB -0.205 38.805 39.000 0.017 0.000 0.924 701 F HN 0.624 nan 8.300 nan 0.000 0.528 702 S N -0.759 115.154 115.700 0.356 0.000 2.571 702 S HA -0.163 4.307 4.470 -0.000 0.000 0.245 702 S C 1.292 175.934 174.600 0.070 0.000 0.976 702 S CA 1.245 59.580 58.200 0.224 0.000 0.954 702 S CB -0.619 62.668 63.200 0.146 0.000 0.756 702 S HN 0.511 nan 8.310 nan 0.000 0.535 703 D N 2.116 122.524 120.400 0.012 0.000 2.289 703 D HA 0.006 4.646 4.640 -0.000 0.000 0.207 703 D C 0.835 177.082 176.300 -0.089 0.000 0.966 703 D CA 0.237 54.206 54.000 -0.050 0.000 0.868 703 D CB -0.224 40.531 40.800 -0.075 0.000 0.943 703 D HN 0.706 nan 8.370 nan 0.000 0.514 704 R N 1.647 122.087 120.500 -0.099 0.000 2.523 704 R HA 0.084 4.423 4.340 -0.000 0.000 0.281 704 R C -2.427 173.779 176.300 -0.157 0.000 0.969 704 R CA -0.864 55.163 56.100 -0.122 0.000 1.093 704 R CB -0.987 29.256 30.300 -0.096 0.000 0.917 704 R HN -0.134 nan 8.270 nan 0.000 0.408 705 P HA -0.036 nan 4.420 nan 0.000 0.256 705 P C 0.119 177.313 177.300 -0.177 0.000 1.189 705 P CA 0.067 62.965 63.100 -0.336 0.000 0.808 705 P CB 0.540 31.819 31.700 -0.701 0.000 0.793 706 R N 3.934 124.381 120.500 -0.088 0.000 2.185 706 R HA -0.067 4.273 4.340 -0.000 0.000 0.247 706 R C 0.505 176.808 176.300 0.006 0.000 1.159 706 R CA 1.450 57.537 56.100 -0.022 0.000 0.988 706 R CB -0.510 29.777 30.300 -0.021 0.000 0.871 706 R HN 0.470 nan 8.270 nan 0.000 0.458 707 I N -0.569 119.992 120.570 -0.016 0.000 2.436 707 I HA 0.191 4.361 4.170 -0.000 0.000 0.289 707 I C -0.833 175.321 176.117 0.062 0.000 1.010 707 I CA -0.467 60.852 61.300 0.033 0.000 1.098 707 I CB 1.886 39.894 38.000 0.014 0.000 1.266 707 I HN -0.087 nan 8.210 nan 0.000 0.434 708 F N 5.837 125.772 119.950 -0.024 0.000 2.584 708 F HA 0.363 4.890 4.527 -0.000 0.000 0.328 708 F C -0.077 175.695 175.800 -0.047 0.000 1.407 708 F CA -0.933 57.042 58.000 -0.042 0.000 1.145 708 F CB 0.567 39.550 39.000 -0.028 0.000 1.440 708 F HN 0.460 nan 8.300 nan 0.000 0.580 709 N N 2.763 121.585 118.700 0.203 0.000 2.605 709 N HA 0.132 4.872 4.740 -0.000 0.000 0.258 709 N C -0.526 175.017 175.510 0.055 0.000 1.156 709 N CA 0.129 53.231 53.050 0.087 0.000 1.008 709 N CB 1.214 39.735 38.487 0.056 0.000 1.354 709 N HN 0.080 nan 8.380 nan 0.000 0.509 710 V N 1.454 121.362 119.914 -0.010 0.000 2.364 710 V HA 0.601 4.721 4.120 -0.000 0.000 0.272 710 V C 0.570 176.654 176.094 -0.018 0.000 1.036 710 V CA -0.663 61.612 62.300 -0.043 0.000 0.880 710 V CB 0.635 32.356 31.823 -0.169 0.000 0.991 710 V HN 0.613 nan 8.190 nan 0.000 0.460 711 A N 5.911 128.745 122.820 0.024 0.000 2.312 711 A HA 0.978 5.298 4.320 -0.000 0.000 0.310 711 A C -0.920 176.714 177.584 0.083 0.000 1.139 711 A CA -0.751 51.313 52.037 0.045 0.000 0.886 711 A CB 1.289 20.324 19.000 0.059 0.000 1.350 711 A HN 0.708 nan 8.150 nan 0.000 0.479 712 L N 0.164 121.443 121.223 0.093 0.000 2.408 712 L HA 0.323 4.663 4.340 -0.000 0.000 0.268 712 L C -0.938 176.035 176.870 0.172 0.000 0.986 712 L CA -0.357 54.565 54.840 0.137 0.000 0.820 712 L CB 1.889 44.000 42.059 0.087 0.000 1.303 712 L HN 0.860 nan 8.230 nan 0.000 0.411 713 W N 4.787 126.105 121.300 0.031 0.000 2.507 713 W HA 0.103 4.762 4.660 -0.001 0.000 0.334 713 W C -0.579 175.952 176.519 0.020 0.000 1.165 713 W CA -0.039 57.315 57.345 0.014 0.000 1.460 713 W CB 0.953 30.413 29.460 0.001 0.000 1.404 713 W HN 0.490 nan 8.180 nan 0.000 0.435 714 D N 5.435 125.621 120.400 -0.356 0.000 2.479 714 D HA 0.176 4.816 4.640 -0.000 0.000 0.218 714 D C -0.788 175.251 176.300 -0.434 0.000 1.131 714 D CA 0.347 54.180 54.000 -0.278 0.000 0.916 714 D CB 0.438 41.125 40.800 -0.187 0.000 1.022 714 D HN 0.417 nan 8.370 nan 0.000 0.515 715 Q N 2.931 122.554 119.800 -0.295 0.000 2.263 715 Q HA 0.319 4.659 4.340 -0.000 0.000 0.262 715 Q C -2.520 173.477 176.000 -0.005 0.000 0.984 715 Q CA -1.844 53.855 55.803 -0.173 0.000 0.813 715 Q CB 2.836 31.486 28.738 -0.146 0.000 1.299 715 Q HN 0.196 nan 8.270 nan 0.000 0.428 716 P HA -0.086 nan 4.420 nan 0.000 0.266 716 P C -0.530 176.775 177.300 0.008 0.000 1.195 716 P CA -0.061 63.038 63.100 -0.003 0.000 0.768 716 P CB 0.516 32.209 31.700 -0.013 0.000 0.838 717 N N 2.677 121.360 118.700 -0.029 0.000 2.483 717 N HA -0.006 4.733 4.740 -0.000 0.000 0.264 717 N C 1.291 176.757 175.510 -0.074 0.000 1.197 717 N CA 0.228 53.229 53.050 -0.082 0.000 0.927 717 N CB 0.377 38.720 38.487 -0.241 0.000 1.065 717 N HN 0.246 nan 8.380 nan 0.000 0.461 718 R N 1.256 121.733 120.500 -0.038 0.000 2.091 718 R HA -0.093 4.246 4.340 -0.000 0.000 0.238 718 R C 0.055 176.329 176.300 -0.044 0.000 1.136 718 R CA 1.109 57.200 56.100 -0.015 0.000 0.959 718 R CB 0.035 30.353 30.300 0.030 0.000 0.856 718 R HN 0.653 nan 8.270 nan 0.000 0.437 719 E N 0.948 121.090 120.200 -0.097 0.000 2.371 719 E HA 0.021 4.371 4.350 -0.000 0.000 0.257 719 E C -0.210 176.320 176.600 -0.116 0.000 1.134 719 E CA 0.067 56.411 56.400 -0.094 0.000 0.919 719 E CB 0.437 30.070 29.700 -0.111 0.000 1.025 719 E HN 0.183 nan 8.360 nan 0.000 0.438 720 E N 1.213 121.370 120.200 -0.073 0.000 2.392 720 E HA 0.049 4.398 4.350 -0.000 0.000 0.307 720 E C 0.131 176.663 176.600 -0.113 0.000 1.505 720 E CA -0.125 56.223 56.400 -0.086 0.000 1.716 720 E CB -0.250 29.417 29.700 -0.056 0.000 1.450 720 E HN 0.368 nan 8.360 nan 0.000 0.484 721 T N -1.174 113.289 114.554 -0.151 0.000 2.899 721 T HA 0.186 4.536 4.350 -0.000 0.000 0.284 721 T C 0.496 175.105 174.700 -0.151 0.000 1.004 721 T CA -0.926 61.085 62.100 -0.147 0.000 1.043 721 T CB 0.932 69.685 68.868 -0.192 0.000 1.013 721 T HN 0.161 nan 8.240 nan 0.000 0.518 722 I N 3.768 124.249 120.570 -0.148 0.000 3.085 722 I HA 0.064 4.234 4.170 -0.000 0.000 0.302 722 I C 0.019 176.175 176.117 0.066 0.000 1.234 722 I CA 0.074 61.315 61.300 -0.099 0.000 1.396 722 I CB -1.631 36.348 38.000 -0.036 0.000 1.385 722 I HN 0.801 nan 8.210 nan 0.000 0.533 723 F N 7.077 126.965 119.950 -0.103 0.000 3.067 723 F HA -0.328 4.199 4.527 -0.000 0.000 0.279 723 F C 1.211 176.968 175.800 -0.073 0.000 0.945 723 F CA 1.004 58.958 58.000 -0.077 0.000 0.948 723 F CB -1.178 37.783 39.000 -0.065 0.000 0.898 723 F HN 0.701 nan 8.300 nan 0.000 0.746 724 R N -2.465 118.034 120.500 -0.001 0.000 4.000 724 R HA -0.248 4.092 4.340 -0.000 0.000 0.348 724 R C 0.959 177.244 176.300 -0.026 0.000 1.204 724 R CA 1.002 57.082 56.100 -0.033 0.000 0.987 724 R CB -2.420 27.874 30.300 -0.012 0.000 1.446 724 R HN 0.635 nan 8.270 nan 0.000 0.555 725 S N 0.441 116.144 115.700 0.005 0.000 2.625 725 S HA 0.481 4.950 4.470 -0.000 0.000 0.258 725 S C 0.243 174.840 174.600 -0.005 0.000 1.256 725 S CA -0.246 57.968 58.200 0.023 0.000 0.983 725 S CB 1.836 65.068 63.200 0.053 0.000 1.032 725 S HN 0.295 nan 8.310 nan 0.000 0.572 726 K N -0.540 119.907 120.400 0.077 0.000 2.550 726 K HA 0.552 4.871 4.320 -0.000 0.000 0.252 726 K C -1.033 175.695 176.600 0.214 0.000 0.943 726 K CA -0.514 55.883 56.287 0.184 0.000 0.806 726 K CB 1.928 34.551 32.500 0.205 0.000 1.289 726 K HN 0.912 nan 8.250 nan 0.000 0.435 727 A N 2.189 125.172 122.820 0.271 0.000 2.567 727 A HA 0.089 4.409 4.320 -0.000 0.000 0.240 727 A C 0.432 178.084 177.584 0.113 0.000 1.053 727 A CA 0.184 52.298 52.037 0.129 0.000 0.755 727 A CB 0.362 19.390 19.000 0.047 0.000 0.978 727 A HN 0.509 nan 8.150 nan 0.000 0.507 728 V N 3.252 123.201 119.914 0.058 0.000 3.276 728 V HA 0.239 4.359 4.120 -0.000 0.000 0.319 728 V C 1.498 177.559 176.094 -0.055 0.000 1.476 728 V CA 0.876 63.197 62.300 0.035 0.000 1.097 728 V CB 0.021 31.876 31.823 0.053 0.000 0.988 728 V HN 1.099 nan 8.190 nan 0.000 0.473 729 G N 0.276 109.039 108.800 -0.060 0.000 2.547 729 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.214 729 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.214 729 G C 1.107 175.932 174.900 -0.124 0.000 1.254 729 G CA 1.077 46.130 45.100 -0.078 0.000 0.817 729 G HN 0.545 nan 8.290 nan 0.000 0.551 730 E N 0.855 120.914 120.200 -0.235 0.000 2.086 730 E HA -0.008 4.342 4.350 -0.000 0.000 0.190 730 E C -0.108 176.115 176.600 -0.628 0.000 0.975 730 E CA 0.540 56.668 56.400 -0.454 0.000 0.813 730 E CB -0.329 28.972 29.700 -0.665 0.000 0.768 730 E HN 0.269 nan 8.360 nan 0.000 0.457 731 P HA -0.197 nan 4.420 nan 0.000 0.219 731 P C -1.624 175.619 177.300 -0.096 0.000 1.161 731 P CA 2.170 65.067 63.100 -0.340 0.000 0.909 731 P CB -1.017 30.753 31.700 0.117 0.000 0.793 732 P HA -0.058 nan 4.420 nan 0.000 0.245 732 P C 1.217 178.521 177.300 0.006 0.000 1.212 732 P CA 0.429 63.422 63.100 -0.179 0.000 0.774 732 P CB -0.661 30.739 31.700 -0.500 0.000 0.999 733 F N 1.274 121.137 119.950 -0.144 0.000 2.146 733 F HA -0.119 4.407 4.527 -0.000 0.000 0.298 733 F C 1.694 177.471 175.800 -0.038 0.000 1.096 733 F CA 1.210 59.148 58.000 -0.104 0.000 1.275 733 F CB -0.588 38.294 39.000 -0.197 0.000 1.008 733 F HN -0.278 nan 8.300 nan 0.000 0.480 734 L N 0.446 121.781 121.223 0.186 0.000 2.642 734 L HA -0.152 4.188 4.340 -0.000 0.000 0.236 734 L C 1.883 178.837 176.870 0.141 0.000 1.169 734 L CA 0.910 55.856 54.840 0.176 0.000 0.851 734 L CB -0.912 41.239 42.059 0.154 0.000 0.968 734 L HN 0.243 nan 8.230 nan 0.000 0.453 735 L N -1.081 120.227 121.223 0.141 0.000 2.275 735 L HA -0.084 4.256 4.340 -0.000 0.000 0.215 735 L C 2.500 179.550 176.870 0.300 0.000 1.119 735 L CA 0.928 55.906 54.840 0.230 0.000 0.790 735 L CB -0.983 41.247 42.059 0.284 0.000 0.919 735 L HN 0.408 nan 8.230 nan 0.000 0.443 736 G N 0.405 109.236 108.800 0.052 0.000 2.448 736 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 736 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 736 G C 1.584 176.473 174.900 -0.018 0.000 1.127 736 G CA 0.409 45.392 45.100 -0.195 0.000 0.766 736 G HN 0.294 nan 8.290 nan 0.000 0.552 737 I N 0.977 121.595 120.570 0.080 0.000 2.236 737 I HA -0.283 3.887 4.170 -0.000 0.000 0.249 737 I C 2.996 179.219 176.117 0.177 0.000 1.102 737 I CA 1.382 62.760 61.300 0.131 0.000 1.365 737 I CB -0.260 37.834 38.000 0.157 0.000 1.051 737 I HN 0.284 nan 8.210 nan 0.000 0.420 738 S N 0.452 116.264 115.700 0.187 0.000 2.381 738 S HA -0.322 4.148 4.470 -0.000 0.000 0.230 738 S C 2.159 176.859 174.600 0.166 0.000 1.052 738 S CA 1.900 60.214 58.200 0.189 0.000 1.068 738 S CB -0.260 63.073 63.200 0.222 0.000 0.918 738 S HN 0.542 nan 8.310 nan 0.000 0.448 739 A N -0.124 122.787 122.820 0.152 0.000 1.930 739 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 739 A C 1.977 179.599 177.584 0.064 0.000 1.175 739 A CA 1.450 53.532 52.037 0.075 0.000 0.627 739 A CB -0.911 18.067 19.000 -0.036 0.000 0.815 739 A HN 0.680 nan 8.150 nan 0.000 0.443 740 F N -0.116 119.802 119.950 -0.054 0.000 2.113 740 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 740 F C 1.842 177.638 175.800 -0.007 0.000 1.103 740 F CA 1.553 59.516 58.000 -0.061 0.000 1.248 740 F CB -0.286 38.654 39.000 -0.100 0.000 0.999 740 F HN 0.156 nan 8.300 nan 0.000 0.475 741 L N 0.397 121.697 121.223 0.127 0.000 2.046 741 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 741 L C 2.592 179.490 176.870 0.046 0.000 1.077 741 L CA 1.915 56.798 54.840 0.072 0.000 0.747 741 L CB -1.079 41.069 42.059 0.149 0.000 0.896 741 L HN 0.229 nan 8.230 nan 0.000 0.432 742 A N -1.512 121.331 122.820 0.037 0.000 1.969 742 A HA -0.147 4.172 4.320 -0.000 0.000 0.218 742 A C 2.167 179.712 177.584 -0.066 0.000 1.169 742 A CA 1.339 53.384 52.037 0.014 0.000 0.635 742 A CB -0.646 18.375 19.000 0.034 0.000 0.810 742 A HN 0.337 nan 8.150 nan 0.000 0.445 743 L N -0.715 120.435 121.223 -0.121 0.000 2.056 743 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 743 L C 2.398 179.122 176.870 -0.243 0.000 1.078 743 L CA 2.527 57.255 54.840 -0.186 0.000 0.749 743 L CB -0.790 41.135 42.059 -0.223 0.000 0.901 743 L HN 0.710 nan 8.230 nan 0.000 0.433 744 H N -1.306 117.512 119.070 -0.419 0.000 2.387 744 H HA -0.209 4.346 4.556 -0.000 0.000 0.299 744 H C 1.944 177.123 175.328 -0.248 0.000 1.090 744 H CA 2.063 57.866 56.048 -0.408 0.000 1.332 744 H CB -0.168 29.303 29.762 -0.484 0.000 1.386 744 H HN 0.468 nan 8.280 nan 0.000 0.516 745 D N -0.075 120.160 120.400 -0.275 0.000 2.178 745 D HA -0.120 4.519 4.640 -0.000 0.000 0.201 745 D C 2.198 178.368 176.300 -0.217 0.000 0.980 745 D CA 1.345 55.203 54.000 -0.236 0.000 0.842 745 D CB -0.442 40.329 40.800 -0.048 0.000 0.948 745 D HN 0.541 nan 8.370 nan 0.000 0.472 746 A N -0.510 122.200 122.820 -0.182 0.000 1.930 746 A HA -0.123 4.196 4.320 -0.000 0.000 0.217 746 A C 2.547 180.036 177.584 -0.158 0.000 1.175 746 A CA 1.304 53.261 52.037 -0.132 0.000 0.627 746 A CB -0.918 18.019 19.000 -0.105 0.000 0.815 746 A HN 0.485 nan 8.150 nan 0.000 0.443 747 C N -1.018 118.139 119.300 -0.239 0.000 2.440 747 C HA 0.115 4.575 4.460 -0.000 0.000 0.278 747 C C 3.233 178.075 174.990 -0.248 0.000 1.295 747 C CA 0.603 59.478 59.018 -0.239 0.000 1.738 747 C CB -1.241 26.326 27.740 -0.290 0.000 1.987 747 C HN 0.699 nan 8.230 nan 0.000 0.492 748 A N 0.233 122.840 122.820 -0.355 0.000 2.070 748 A HA 0.122 4.442 4.320 -0.000 0.000 0.220 748 A C 2.114 179.621 177.584 -0.128 0.000 1.159 748 A CA 1.734 53.616 52.037 -0.258 0.000 0.656 748 A CB -0.475 18.336 19.000 -0.314 0.000 0.800 748 A HN 0.602 nan 8.150 nan 0.000 0.453 749 A N -1.876 120.875 122.820 -0.115 0.000 2.251 749 A HA 0.191 4.511 4.320 -0.000 0.000 0.209 749 A C 1.639 179.198 177.584 -0.041 0.000 1.187 749 A CA 0.920 52.922 52.037 -0.059 0.000 0.823 749 A CB -0.799 18.179 19.000 -0.038 0.000 0.846 749 A HN 0.585 nan 8.150 nan 0.000 0.486 750 C N -1.523 117.747 119.300 -0.051 0.000 2.735 750 C HA 0.547 5.007 4.460 -0.000 0.000 0.271 750 C C 1.427 176.410 174.990 -0.012 0.000 1.281 750 C CA 0.122 59.121 59.018 -0.032 0.000 1.719 750 C CB -0.717 26.998 27.740 -0.042 0.000 2.024 750 C HN 0.707 nan 8.230 nan 0.000 0.566 751 G N 0.331 109.127 108.800 -0.006 0.000 2.506 751 G HA2 0.438 4.398 3.960 -0.000 0.000 0.292 751 G HA3 0.438 4.398 3.960 -0.000 0.000 0.292 751 G C -2.492 172.414 174.900 0.011 0.000 1.425 751 G CA -0.200 44.914 45.100 0.024 0.000 0.788 751 G HN -0.193 nan 8.290 nan 0.000 0.490 752 P HA 0.032 nan 4.420 nan 0.000 0.233 752 P C 0.103 177.336 177.300 -0.112 0.000 1.167 752 P CA 0.565 63.605 63.100 -0.100 0.000 0.770 752 P CB 0.082 31.668 31.700 -0.190 0.000 0.837 753 H N -0.849 118.259 119.070 0.064 0.000 2.505 753 H HA 0.058 4.614 4.556 -0.000 0.000 0.351 753 H C 0.014 175.446 175.328 0.172 0.000 1.151 753 H CA -0.570 55.549 56.048 0.119 0.000 1.339 753 H CB 0.793 30.611 29.762 0.092 0.000 1.483 753 H HN 0.182 nan 8.280 nan 0.000 0.558 754 W N 4.784 126.211 121.300 0.213 0.000 2.381 754 W HA 0.049 4.709 4.660 -0.000 0.000 0.321 754 W C -2.182 174.438 176.519 0.168 0.000 1.407 754 W CA -1.654 55.813 57.345 0.203 0.000 1.274 754 W CB 0.534 30.153 29.460 0.266 0.000 1.310 754 W HN 0.516 nan 8.180 nan 0.000 0.551 755 P HA -0.162 nan 4.420 nan 0.000 0.219 755 P C 0.019 177.057 177.300 -0.435 0.000 1.150 755 P CA 1.422 64.278 63.100 -0.407 0.000 0.814 755 P CB 0.082 31.521 31.700 -0.433 0.000 0.787 756 D N -1.859 118.025 120.400 -0.859 0.000 2.697 756 D HA -0.173 4.467 4.640 -0.000 0.000 0.238 756 D C -0.570 175.678 176.300 -0.087 0.000 1.152 756 D CA 0.155 53.985 54.000 -0.283 0.000 0.666 756 D CB -1.332 39.531 40.800 0.105 0.000 1.037 756 D HN 0.016 nan 8.370 nan 0.000 0.423 757 L N 1.175 122.308 121.223 -0.150 0.000 2.410 757 L HA 0.238 4.577 4.340 -0.000 0.000 0.273 757 L C 0.353 177.370 176.870 0.246 0.000 1.144 757 L CA 0.384 55.202 54.840 -0.036 0.000 0.863 757 L CB 0.777 42.701 42.059 -0.225 0.000 1.140 757 L HN 0.068 nan 8.230 nan 0.000 0.463 758 Q N 3.816 123.778 119.800 0.270 0.000 2.205 758 Q HA 0.644 4.983 4.340 -0.000 0.000 0.249 758 Q C -0.668 175.561 176.000 0.381 0.000 0.948 758 Q CA -0.457 55.560 55.803 0.358 0.000 0.895 758 Q CB 1.691 30.546 28.738 0.194 0.000 1.249 758 Q HN 0.791 nan 8.270 nan 0.000 0.458 759 A N 2.759 125.681 122.820 0.169 0.000 2.304 759 A HA 0.635 4.955 4.320 -0.000 0.000 0.323 759 A C -2.288 175.213 177.584 -0.138 0.000 1.195 759 A CA -1.545 50.417 52.037 -0.126 0.000 0.826 759 A CB 0.605 19.231 19.000 -0.622 0.000 1.184 759 A HN 0.386 nan 8.150 nan 0.000 0.496 760 P HA 0.294 nan 4.420 nan 0.000 0.279 760 P C -0.188 177.127 177.300 0.025 0.000 1.239 760 P CA -0.080 62.945 63.100 -0.125 0.000 0.789 760 P CB 1.392 33.013 31.700 -0.132 0.000 0.933 761 A N 3.057 125.952 122.820 0.124 0.000 3.026 761 A HA 0.301 4.621 4.320 -0.000 0.000 0.272 761 A C 0.967 178.552 177.584 0.002 0.000 1.782 761 A CA -0.182 51.917 52.037 0.103 0.000 1.451 761 A CB -1.497 17.562 19.000 0.099 0.000 1.081 761 A HN 0.603 nan 8.150 nan 0.000 0.611 762 T N -0.517 114.028 114.554 -0.015 0.000 2.802 762 T HA 0.268 4.617 4.350 -0.000 0.000 0.305 762 T C -1.228 173.449 174.700 -0.037 0.000 1.053 762 T CA -1.028 61.047 62.100 -0.041 0.000 1.058 762 T CB 0.484 69.326 68.868 -0.043 0.000 0.988 762 T HN 0.304 nan 8.240 nan 0.000 0.539 763 P HA -0.211 nan 4.420 nan 0.000 0.217 763 P C 1.324 178.604 177.300 -0.033 0.000 1.151 763 P CA 1.489 64.565 63.100 -0.041 0.000 0.849 763 P CB 0.163 31.839 31.700 -0.040 0.000 0.787 764 E N 0.226 120.410 120.200 -0.026 0.000 2.031 764 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 764 E C 2.151 178.742 176.600 -0.015 0.000 0.994 764 E CA 1.304 57.693 56.400 -0.018 0.000 0.800 764 E CB -0.647 29.046 29.700 -0.012 0.000 0.752 764 E HN 0.083 nan 8.360 nan 0.000 0.447 765 A N 0.472 123.287 122.820 -0.008 0.000 2.024 765 A HA -0.129 4.190 4.320 -0.000 0.000 0.220 765 A C 2.345 179.917 177.584 -0.020 0.000 1.164 765 A CA 1.415 53.454 52.037 0.003 0.000 0.643 765 A CB -0.493 18.523 19.000 0.028 0.000 0.806 765 A HN 0.252 nan 8.150 nan 0.000 0.451 766 V N -0.606 119.285 119.914 -0.038 0.000 2.323 766 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 766 V C 2.441 178.497 176.094 -0.064 0.000 1.041 766 V CA 1.781 64.040 62.300 -0.068 0.000 1.025 766 V CB -0.696 31.084 31.823 -0.072 0.000 0.656 766 V HN 0.605 nan 8.190 nan 0.000 0.451 767 L N 0.797 121.993 121.223 -0.046 0.000 2.042 767 L HA -0.132 4.207 4.340 -0.000 0.000 0.210 767 L C 2.453 179.299 176.870 -0.039 0.000 1.076 767 L CA 2.291 57.106 54.840 -0.040 0.000 0.749 767 L CB -0.687 41.354 42.059 -0.030 0.000 0.893 767 L HN 0.240 nan 8.230 nan 0.000 0.432 768 A N -0.580 122.221 122.820 -0.032 0.000 1.933 768 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 768 A C 2.416 179.975 177.584 -0.042 0.000 1.175 768 A CA 1.811 53.831 52.037 -0.027 0.000 0.628 768 A CB -1.064 17.929 19.000 -0.011 0.000 0.814 768 A HN 0.584 nan 8.150 nan 0.000 0.444 769 A N -0.750 122.033 122.820 -0.062 0.000 1.897 769 A HA 0.100 4.419 4.320 -0.000 0.000 0.215 769 A C 2.194 179.714 177.584 -0.107 0.000 1.181 769 A CA 1.431 53.407 52.037 -0.102 0.000 0.620 769 A CB -0.881 18.034 19.000 -0.141 0.000 0.821 769 A HN 0.346 nan 8.150 nan 0.000 0.443 770 V N 0.584 120.443 119.914 -0.092 0.000 2.282 770 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 770 V C 2.583 178.644 176.094 -0.054 0.000 1.057 770 V CA 2.357 64.611 62.300 -0.077 0.000 1.032 770 V CB -0.795 30.991 31.823 -0.062 0.000 0.645 770 V HN 0.533 nan 8.190 nan 0.000 0.447 771 R N -0.722 119.750 120.500 -0.046 0.000 2.236 771 R HA 0.010 4.350 4.340 -0.000 0.000 0.208 771 R C 2.407 178.682 176.300 -0.042 0.000 1.036 771 R CA 0.495 56.574 56.100 -0.036 0.000 1.001 771 R CB -0.216 30.065 30.300 -0.031 0.000 0.896 771 R HN 0.519 nan 8.270 nan 0.000 0.464 772 R N 0.598 121.069 120.500 -0.049 0.000 2.062 772 R HA -0.003 4.337 4.340 -0.000 0.000 0.229 772 R C 2.334 178.618 176.300 -0.027 0.000 1.128 772 R CA 1.353 57.420 56.100 -0.055 0.000 0.960 772 R CB -0.286 29.985 30.300 -0.048 0.000 0.855 772 R HN 0.134 nan 8.270 nan 0.000 0.432 773 A N 1.459 124.284 122.820 0.010 0.000 1.902 773 A HA -0.201 4.118 4.320 -0.000 0.000 0.217 773 A C 1.913 179.579 177.584 0.135 0.000 1.181 773 A CA 1.425 53.520 52.037 0.097 0.000 0.623 773 A CB -0.378 18.626 19.000 0.007 0.000 0.818 773 A HN 0.327 nan 8.150 nan 0.000 0.443 774 E N -1.340 118.891 120.200 0.050 0.000 2.038 774 E HA 0.075 4.425 4.350 -0.000 0.000 0.195 774 E C 0.987 177.623 176.600 0.061 0.000 1.000 774 E CA 0.744 57.172 56.400 0.048 0.000 0.803 774 E CB -0.266 29.438 29.700 0.006 0.000 0.750 774 E HN 0.874 nan 8.360 nan 0.000 0.448 775 G N 1.278 110.067 108.800 -0.019 0.000 2.970 775 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.249 775 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.249 775 G C -0.659 174.202 174.900 -0.065 0.000 1.113 775 G CA -0.302 44.730 45.100 -0.112 0.000 1.119 775 G HN 0.013 nan 8.290 nan 0.000 0.552 776 R N 0.004 120.468 120.500 -0.059 0.000 2.673 776 R HA 0.823 5.163 4.340 -0.000 0.000 0.281 776 R C 0.656 176.935 176.300 -0.035 0.000 0.991 776 R CA -0.155 55.923 56.100 -0.037 0.000 0.896 776 R CB 1.953 32.239 30.300 -0.024 0.000 1.201 776 R HN 2.070 nan 8.270 nan 0.000 0.457 777 A N 0.000 122.804 122.820 -0.026 0.000 2.254 777 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 777 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 777 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486