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 2w3r_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 ESQGNHLAIA 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 0.000 174.507 174.600 -0.155 0.000 1.055 2 S CA 0.000 58.124 58.200 -0.126 0.000 1.107 2 S CB 0.000 63.144 63.200 -0.093 0.000 0.593 3 V N 2.410 122.176 119.914 -0.246 0.000 2.599 3 V HA 0.432 4.551 4.120 -0.001 0.000 0.300 3 V C 1.678 177.637 176.094 -0.225 0.000 1.034 3 V CA 1.934 64.065 62.300 -0.283 0.000 1.115 3 V CB 0.508 31.985 31.823 -0.576 0.000 0.934 3 V HN 0.840 nan 8.190 nan 0.000 0.485 4 G N 4.211 112.923 108.800 -0.146 0.000 2.234 4 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.235 4 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.235 4 G C 0.316 175.168 174.900 -0.079 0.000 0.997 4 G CA -0.017 45.019 45.100 -0.106 0.000 0.623 4 G HN 0.586 nan 8.290 nan 0.000 0.514 5 K N 1.944 122.296 120.400 -0.080 0.000 2.350 5 K HA 0.352 4.672 4.320 -0.001 0.000 0.279 5 K C -2.231 174.343 176.600 -0.043 0.000 1.027 5 K CA -1.016 55.236 56.287 -0.058 0.000 0.969 5 K CB 1.286 33.751 32.500 -0.059 0.000 0.954 5 K HN 0.086 nan 8.250 nan 0.000 0.474 6 P HA 0.104 nan 4.420 nan 0.000 0.231 6 P C -0.664 176.628 177.300 -0.013 0.000 1.811 6 P CA 0.073 63.161 63.100 -0.020 0.000 1.051 6 P CB -0.021 31.669 31.700 -0.017 0.000 1.951 7 L N 3.366 124.579 121.223 -0.016 0.000 2.399 7 L HA 0.459 4.799 4.340 -0.001 0.000 0.266 7 L C -1.567 175.306 176.870 0.005 0.000 1.114 7 L CA -2.414 52.420 54.840 -0.011 0.000 0.804 7 L CB 0.538 42.583 42.059 -0.024 0.000 1.146 7 L HN 0.053 nan 8.230 nan 0.000 0.451 8 P HA 0.002 nan 4.420 nan 0.000 0.274 8 P C -0.648 176.688 177.300 0.060 0.000 1.256 8 P CA -0.327 62.800 63.100 0.046 0.000 0.795 8 P CB 0.412 32.135 31.700 0.039 0.000 1.038 9 H N 1.792 120.867 119.070 0.010 0.000 2.972 9 H HA -0.070 4.486 4.556 -0.001 0.000 0.343 9 H C 1.313 176.624 175.328 -0.029 0.000 1.054 9 H CA 0.829 56.885 56.048 0.013 0.000 1.412 9 H CB 0.628 30.423 29.762 0.054 0.000 1.385 9 H HN 0.534 nan 8.280 nan 0.000 0.600 10 D N 2.133 122.280 120.400 -0.421 0.000 2.182 10 D HA -0.140 4.500 4.640 -0.001 0.000 0.201 10 D C 0.428 176.659 176.300 -0.115 0.000 0.986 10 D CA 1.073 54.942 54.000 -0.218 0.000 0.847 10 D CB 0.097 40.777 40.800 -0.200 0.000 0.942 10 D HN 0.264 nan 8.370 nan 0.000 0.467 11 S N -0.368 115.313 115.700 -0.032 0.000 2.663 11 S HA 0.482 4.952 4.470 -0.001 0.000 0.243 11 S C 1.540 175.829 174.600 -0.517 0.000 1.009 11 S CA -0.004 58.079 58.200 -0.195 0.000 0.988 11 S CB 1.018 64.118 63.200 -0.166 0.000 0.896 11 S HN 0.473 nan 8.310 nan 0.000 0.502 12 A N 2.707 125.409 122.820 -0.197 0.000 1.892 12 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 12 A C 2.091 179.635 177.584 -0.066 0.000 1.188 12 A CA 1.708 53.674 52.037 -0.118 0.000 0.631 12 A CB -0.494 18.537 19.000 0.050 0.000 0.822 12 A HN 0.462 nan 8.150 nan 0.000 0.447 13 R N -0.637 119.833 120.500 -0.050 0.000 2.073 13 R HA -0.098 4.242 4.340 -0.001 0.000 0.234 13 R C 2.389 178.687 176.300 -0.004 0.000 1.134 13 R CA 1.443 57.536 56.100 -0.011 0.000 0.952 13 R CB -0.444 29.847 30.300 -0.014 0.000 0.850 13 R HN 0.462 nan 8.270 nan 0.000 0.433 14 A N 0.315 123.106 122.820 -0.048 0.000 1.940 14 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 14 A C 1.780 179.417 177.584 0.088 0.000 1.176 14 A CA 1.698 53.727 52.037 -0.013 0.000 0.631 14 A CB -0.880 18.088 19.000 -0.053 0.000 0.814 14 A HN 0.586 nan 8.150 nan 0.000 0.446 15 H N -1.644 117.458 119.070 0.052 0.000 2.267 15 H HA -0.122 4.434 4.556 -0.001 0.000 0.297 15 H C 2.159 177.524 175.328 0.061 0.000 1.080 15 H CA 1.176 57.266 56.048 0.069 0.000 1.278 15 H CB -0.185 29.609 29.762 0.053 0.000 1.365 15 H HN 0.265 nan 8.280 nan 0.000 0.489 16 V N 0.960 120.987 119.914 0.188 0.000 2.469 16 V HA -0.234 3.885 4.120 -0.001 0.000 0.251 16 V C 2.523 178.667 176.094 0.083 0.000 1.064 16 V CA 2.294 64.663 62.300 0.116 0.000 1.066 16 V CB -0.456 31.419 31.823 0.087 0.000 0.667 16 V HN 0.725 nan 8.190 nan 0.000 0.461 17 T N -3.156 111.442 114.554 0.072 0.000 3.081 17 T HA 0.215 4.565 4.350 -0.001 0.000 0.255 17 T C 1.477 176.212 174.700 0.059 0.000 1.113 17 T CA 0.813 62.944 62.100 0.053 0.000 1.082 17 T CB 0.365 69.254 68.868 0.035 0.000 0.939 17 T HN 1.049 nan 8.240 nan 0.000 0.506 18 G N 1.356 110.207 108.800 0.085 0.000 2.160 18 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.244 18 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.244 18 G C 0.493 175.437 174.900 0.073 0.000 1.022 18 G CA 0.430 45.585 45.100 0.091 0.000 0.741 18 G HN 0.585 nan 8.290 nan 0.000 0.508 19 Q N -0.607 119.228 119.800 0.058 0.000 2.384 19 Q HA 0.500 4.840 4.340 -0.001 0.000 0.207 19 Q C 1.640 177.641 176.000 0.002 0.000 0.904 19 Q CA 0.418 56.236 55.803 0.025 0.000 0.933 19 Q CB 0.602 29.346 28.738 0.010 0.000 1.077 19 Q HN 0.864 nan 8.270 nan 0.000 0.522 20 A N 1.712 124.544 122.820 0.020 0.000 2.524 20 A HA 0.159 4.479 4.320 -0.001 0.000 0.250 20 A C -0.272 177.194 177.584 -0.196 0.000 1.078 20 A CA 0.156 52.152 52.037 -0.069 0.000 0.761 20 A CB 0.136 19.167 19.000 0.052 0.000 1.012 20 A HN 0.196 nan 8.150 nan 0.000 0.500 21 R N 1.205 121.540 120.500 -0.275 0.000 2.368 21 R HA 0.551 4.891 4.340 -0.001 0.000 0.302 21 R C -1.260 174.766 176.300 -0.455 0.000 1.002 21 R CA -0.062 55.896 56.100 -0.236 0.000 0.929 21 R CB 1.007 31.228 30.300 -0.132 0.000 1.073 21 R HN 0.781 nan 8.270 nan 0.000 0.464 22 Y N 0.501 120.797 120.300 -0.008 0.000 2.659 22 Y HA 0.184 4.733 4.550 -0.001 0.000 0.333 22 Y C 1.141 177.020 175.900 -0.036 0.000 1.064 22 Y CA -0.961 57.127 58.100 -0.019 0.000 1.141 22 Y CB 0.692 39.137 38.460 -0.025 0.000 1.316 22 Y HN 0.381 nan 8.280 nan 0.000 0.509 23 L N 0.848 122.149 121.223 0.131 0.000 1.978 23 L HA -0.269 4.071 4.340 -0.001 0.000 0.218 23 L C 1.764 178.647 176.870 0.021 0.000 1.075 23 L CA 2.406 57.270 54.840 0.040 0.000 0.767 23 L CB -0.355 41.715 42.059 0.018 0.000 0.890 23 L HN 0.808 nan 8.230 nan 0.000 0.434 24 D N -1.000 119.418 120.400 0.030 0.000 2.310 24 D HA -0.158 4.482 4.640 -0.001 0.000 0.212 24 D C 1.590 177.903 176.300 0.022 0.000 0.965 24 D CA 0.808 54.815 54.000 0.011 0.000 0.879 24 D CB -0.101 40.690 40.800 -0.015 0.000 0.921 24 D HN 0.473 nan 8.370 nan 0.000 0.510 25 D N -0.306 120.121 120.400 0.046 0.000 2.219 25 D HA -0.048 4.592 4.640 -0.001 0.000 0.205 25 D C 0.711 177.009 176.300 -0.003 0.000 0.970 25 D CA 0.181 54.202 54.000 0.036 0.000 0.851 25 D CB -0.022 40.818 40.800 0.068 0.000 0.943 25 D HN 0.304 nan 8.370 nan 0.000 0.488 26 L N 2.633 123.839 121.223 -0.029 0.000 2.485 26 L HA 0.123 4.463 4.340 -0.001 0.000 0.275 26 L C -1.749 175.090 176.870 -0.050 0.000 1.207 26 L CA -1.289 53.508 54.840 -0.071 0.000 0.855 26 L CB -0.070 41.907 42.059 -0.138 0.000 1.114 26 L HN -0.076 nan 8.230 nan 0.000 0.485 27 P HA 0.305 nan 4.420 nan 0.000 0.276 27 P C -1.159 176.119 177.300 -0.037 0.000 1.244 27 P CA -0.495 62.585 63.100 -0.032 0.000 0.801 27 P CB 1.256 32.938 31.700 -0.030 0.000 1.006 28 C N -0.927 118.364 119.300 -0.015 0.000 3.303 28 C HA 0.531 4.990 4.460 -0.001 0.000 0.340 28 C C -2.894 172.097 174.990 0.001 0.000 1.274 28 C CA -1.949 57.062 59.018 -0.011 0.000 1.234 28 C CB -0.125 27.605 27.740 -0.017 0.000 1.532 28 C HN 0.375 nan 8.230 nan 0.000 0.483 29 P HA 0.274 nan 4.420 nan 0.000 0.264 29 P C 0.829 178.139 177.300 0.017 0.000 1.179 29 P CA 0.642 63.746 63.100 0.008 0.000 0.763 29 P CB 0.421 32.124 31.700 0.006 0.000 0.806 30 A N 2.861 125.694 122.820 0.022 0.000 2.225 30 A HA -0.166 4.154 4.320 -0.001 0.000 0.215 30 A C 1.390 178.997 177.584 0.039 0.000 1.164 30 A CA 1.345 53.403 52.037 0.034 0.000 0.710 30 A CB -0.992 18.025 19.000 0.029 0.000 0.780 30 A HN 0.711 nan 8.150 nan 0.000 0.473 31 N N -0.897 117.820 118.700 0.027 0.000 2.230 31 N HA 0.007 4.746 4.740 -0.001 0.000 0.202 31 N C -0.338 175.181 175.510 0.015 0.000 1.119 31 N CA 0.342 53.409 53.050 0.028 0.000 0.851 31 N CB -0.973 37.527 38.487 0.022 0.000 0.990 31 N HN 0.038 nan 8.380 nan 0.000 0.497 32 T N 2.072 116.625 114.554 -0.002 0.000 2.831 32 T HA 0.094 4.444 4.350 -0.001 0.000 0.291 32 T C 0.543 175.181 174.700 -0.104 0.000 0.981 32 T CA 0.099 62.154 62.100 -0.076 0.000 1.174 32 T CB 0.432 69.231 68.868 -0.114 0.000 0.929 32 T HN 0.155 nan 8.240 nan 0.000 0.532 33 L N 3.548 124.696 121.223 -0.126 0.000 2.431 33 L HA 0.477 4.816 4.340 -0.001 0.000 0.260 33 L C 0.690 177.390 176.870 -0.284 0.000 1.098 33 L CA -0.943 53.856 54.840 -0.068 0.000 0.800 33 L CB 0.684 42.754 42.059 0.019 0.000 1.210 33 L HN 0.617 nan 8.230 nan 0.000 0.465 34 H N 1.739 120.842 119.070 0.054 0.000 2.679 34 H HA 0.514 5.070 4.556 -0.001 0.000 0.360 34 H C -1.010 174.345 175.328 0.045 0.000 1.105 34 H CA -0.604 55.481 56.048 0.062 0.000 1.196 34 H CB 2.149 31.974 29.762 0.106 0.000 1.636 34 H HN 0.301 nan 8.280 nan 0.000 0.531 35 L N 1.478 122.767 121.223 0.110 0.000 2.334 35 L HA 0.798 5.138 4.340 -0.001 0.000 0.272 35 L C -0.008 176.841 176.870 -0.035 0.000 1.020 35 L CA -0.977 53.864 54.840 0.001 0.000 0.812 35 L CB 1.825 43.814 42.059 -0.117 0.000 1.264 35 L HN 0.607 nan 8.230 nan 0.000 0.439 36 A N 1.657 124.423 122.820 -0.090 0.000 2.517 36 A HA 0.655 4.974 4.320 -0.001 0.000 0.297 36 A C -1.332 176.181 177.584 -0.119 0.000 1.050 36 A CA -0.426 51.554 52.037 -0.095 0.000 0.694 36 A CB 0.916 19.886 19.000 -0.050 0.000 1.277 36 A HN 0.528 nan 8.150 nan 0.000 0.400 37 F N 1.463 121.410 119.950 -0.006 0.000 2.427 37 F HA 0.460 4.986 4.527 -0.001 0.000 0.352 37 F C 1.434 177.007 175.800 -0.379 0.000 1.100 37 F CA -0.006 57.908 58.000 -0.143 0.000 1.191 37 F CB 1.635 40.606 39.000 -0.048 0.000 1.128 37 F HN 0.703 nan 8.300 nan 0.000 0.533 38 G N 5.828 114.231 108.800 -0.662 0.000 2.356 38 G HA2 0.466 4.426 3.960 -0.001 0.000 0.300 38 G HA3 0.466 4.426 3.960 -0.001 0.000 0.300 38 G C -0.585 174.001 174.900 -0.524 0.000 1.107 38 G CA -0.548 43.875 45.100 -1.128 0.000 0.960 38 G HN 0.500 nan 8.290 nan 0.000 0.418 39 L N 1.760 122.832 121.223 -0.252 0.000 2.360 39 L HA 0.422 4.761 4.340 -0.001 0.000 0.271 39 L C 1.105 177.893 176.870 -0.137 0.000 1.057 39 L CA -0.832 53.884 54.840 -0.206 0.000 0.803 39 L CB 1.682 43.624 42.059 -0.196 0.000 1.207 39 L HN 0.538 nan 8.230 nan 0.000 0.445 40 S N -0.140 115.428 115.700 -0.220 0.000 2.549 40 S HA 0.085 4.554 4.470 -0.001 0.000 0.283 40 S C 0.886 175.350 174.600 -0.226 0.000 1.320 40 S CA -0.230 57.861 58.200 -0.182 0.000 1.058 40 S CB 0.661 63.650 63.200 -0.351 0.000 0.882 40 S HN 0.742 nan 8.310 nan 0.000 0.498 41 T N 1.320 115.750 114.554 -0.206 0.000 3.069 41 T HA 0.353 4.703 4.350 -0.001 0.000 0.252 41 T C 0.047 174.517 174.700 -0.383 0.000 1.053 41 T CA -0.324 61.628 62.100 -0.246 0.000 0.964 41 T CB -0.005 68.782 68.868 -0.135 0.000 1.005 41 T HN 0.550 nan 8.240 nan 0.000 0.532 42 E N 0.310 120.197 120.200 -0.523 0.000 2.277 42 E HA 0.677 5.026 4.350 -0.001 0.000 0.266 42 E C 0.395 176.784 176.600 -0.352 0.000 0.901 42 E CA -0.578 55.515 56.400 -0.512 0.000 0.782 42 E CB 2.111 31.329 29.700 -0.803 0.000 1.228 42 E HN 0.139 nan 8.360 nan 0.000 0.424 43 A N 1.248 123.917 122.820 -0.252 0.000 2.030 43 A HA 0.065 4.385 4.320 -0.001 0.000 0.215 43 A C 0.870 178.370 177.584 -0.141 0.000 1.164 43 A CA 0.583 52.522 52.037 -0.163 0.000 0.697 43 A CB 0.442 19.373 19.000 -0.115 0.000 0.827 43 A HN 0.276 nan 8.150 nan 0.000 0.457 44 S N -1.264 114.336 115.700 -0.168 0.000 2.461 44 S HA 0.577 5.047 4.470 -0.001 0.000 0.245 44 S C -0.958 173.558 174.600 -0.140 0.000 1.039 44 S CA 0.247 58.357 58.200 -0.149 0.000 1.077 44 S CB 0.179 63.331 63.200 -0.080 0.000 1.171 44 S HN 1.419 nan 8.310 nan 0.000 0.433 45 A N 2.821 125.553 122.820 -0.147 0.000 2.604 45 A HA 0.927 5.247 4.320 -0.001 0.000 0.295 45 A C -0.314 177.262 177.584 -0.013 0.000 1.067 45 A CA -0.239 51.767 52.037 -0.051 0.000 0.683 45 A CB 1.087 20.081 19.000 -0.010 0.000 1.281 45 A HN 1.453 nan 8.150 nan 0.000 0.407 46 A N 0.647 123.481 122.820 0.023 0.000 2.322 46 A HA 0.678 4.998 4.320 -0.001 0.000 0.269 46 A C -0.267 177.352 177.584 0.058 0.000 1.094 46 A CA -0.277 51.775 52.037 0.025 0.000 0.807 46 A CB -0.059 18.949 19.000 0.014 0.000 1.047 46 A HN 0.766 nan 8.150 nan 0.000 0.487 47 I N 2.219 122.794 120.570 0.010 0.000 2.291 47 I HA 0.144 4.313 4.170 -0.001 0.000 0.290 47 I C 0.977 177.044 176.117 -0.083 0.000 1.050 47 I CA -0.145 61.107 61.300 -0.079 0.000 1.245 47 I CB 1.254 39.197 38.000 -0.094 0.000 1.405 47 I HN 0.792 nan 8.210 nan 0.000 0.478 48 T N 3.654 118.145 114.554 -0.105 0.000 2.896 48 T HA 0.089 4.439 4.350 -0.001 0.000 0.263 48 T C 0.839 175.488 174.700 -0.086 0.000 1.050 48 T CA 0.576 62.633 62.100 -0.072 0.000 1.140 48 T CB 0.111 68.946 68.868 -0.054 0.000 0.877 48 T HN 0.753 nan 8.240 nan 0.000 0.457 49 G N 0.349 109.069 108.800 -0.133 0.000 2.733 49 G HA2 0.583 4.542 3.960 -0.001 0.000 0.297 49 G HA3 0.583 4.542 3.960 -0.001 0.000 0.297 49 G C -2.167 172.638 174.900 -0.158 0.000 1.422 49 G CA -0.626 44.401 45.100 -0.121 0.000 0.942 49 G HN 0.190 nan 8.290 nan 0.000 0.510 50 L N 1.590 122.737 121.223 -0.128 0.000 2.492 50 L HA 0.520 4.860 4.340 -0.001 0.000 0.258 50 L C -1.120 175.665 176.870 -0.142 0.000 1.028 50 L CA -0.618 54.138 54.840 -0.141 0.000 0.900 50 L CB 1.632 43.623 42.059 -0.113 0.000 1.191 50 L HN 0.524 nan 8.230 nan 0.000 0.459 51 D N 3.671 123.985 120.400 -0.143 0.000 2.313 51 D HA 0.353 4.993 4.640 -0.001 0.000 0.239 51 D C 0.035 176.224 176.300 -0.185 0.000 1.142 51 D CA -0.000 53.918 54.000 -0.135 0.000 0.847 51 D CB 0.869 41.609 40.800 -0.100 0.000 1.082 51 D HN 0.581 nan 8.370 nan 0.000 0.480 52 L N 3.582 124.681 121.223 -0.207 0.000 3.062 52 L HA 0.299 4.638 4.340 -0.001 0.000 0.255 52 L C 1.354 178.119 176.870 -0.175 0.000 1.274 52 L CA -0.266 54.408 54.840 -0.276 0.000 1.047 52 L CB 0.336 42.170 42.059 -0.375 0.000 1.402 52 L HN 0.388 nan 8.230 nan 0.000 0.550 53 E N 1.873 121.999 120.200 -0.123 0.000 2.051 53 E HA -0.066 4.284 4.350 -0.001 0.000 0.189 53 E C -0.798 175.763 176.600 -0.065 0.000 0.979 53 E CA 1.197 57.547 56.400 -0.084 0.000 0.803 53 E CB -0.432 29.229 29.700 -0.065 0.000 0.761 53 E HN 0.233 nan 8.360 nan 0.000 0.451 54 P HA -0.030 nan 4.420 nan 0.000 0.233 54 P C 0.992 178.278 177.300 -0.023 0.000 1.167 54 P CA 0.534 63.615 63.100 -0.032 0.000 0.770 54 P CB 0.239 31.926 31.700 -0.021 0.000 0.837 55 V N 0.500 120.386 119.914 -0.046 0.000 2.255 55 V HA -0.184 3.936 4.120 -0.001 0.000 0.243 55 V C 2.485 178.573 176.094 -0.011 0.000 1.038 55 V CA 1.677 63.966 62.300 -0.018 0.000 1.008 55 V CB -1.015 30.758 31.823 -0.084 0.000 0.645 55 V HN 0.033 nan 8.190 nan 0.000 0.449 56 R N 0.105 120.578 120.500 -0.046 0.000 2.127 56 R HA -0.179 4.161 4.340 -0.001 0.000 0.238 56 R C 1.990 178.278 176.300 -0.021 0.000 1.134 56 R CA 1.649 57.726 56.100 -0.038 0.000 0.975 56 R CB -0.227 30.035 30.300 -0.063 0.000 0.865 56 R HN 0.624 nan 8.270 nan 0.000 0.447 57 E N 0.228 120.416 120.200 -0.020 0.000 2.479 57 E HA 0.030 4.380 4.350 -0.001 0.000 0.193 57 E C 0.070 176.670 176.600 -0.000 0.000 1.049 57 E CA -0.234 56.158 56.400 -0.012 0.000 0.870 57 E CB 0.595 30.285 29.700 -0.017 0.000 0.944 57 E HN 0.024 nan 8.360 nan 0.000 0.492 58 S N 1.963 117.667 115.700 0.007 0.000 2.564 58 S HA 0.128 4.598 4.470 -0.001 0.000 0.278 58 S C -2.361 172.251 174.600 0.020 0.000 1.333 58 S CA -1.663 56.547 58.200 0.017 0.000 1.048 58 S CB 0.486 63.704 63.200 0.030 0.000 0.900 58 S HN -0.183 nan 8.310 nan 0.000 0.505 59 P HA 0.161 nan 4.420 nan 0.000 0.265 59 P C 0.734 178.049 177.300 0.026 0.000 1.187 59 P CA 1.095 64.206 63.100 0.019 0.000 0.766 59 P CB 0.061 31.771 31.700 0.018 0.000 0.820 60 G N 1.259 110.075 108.800 0.027 0.000 2.258 60 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.274 60 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.274 60 G C 0.042 174.970 174.900 0.046 0.000 1.021 60 G CA -0.123 44.998 45.100 0.036 0.000 0.798 60 G HN 0.511 nan 8.290 nan 0.000 0.507 61 V N 1.136 121.074 119.914 0.040 0.000 2.407 61 V HA 0.396 4.516 4.120 -0.001 0.000 0.278 61 V C 1.389 177.506 176.094 0.039 0.000 1.037 61 V CA -0.718 61.611 62.300 0.048 0.000 0.900 61 V CB 1.457 33.306 31.823 0.043 0.000 0.983 61 V HN 0.164 nan 8.190 nan 0.000 0.459 62 I N 2.969 123.571 120.570 0.053 0.000 3.039 62 I HA 0.385 4.555 4.170 -0.001 0.000 0.270 62 I C 0.919 177.046 176.117 0.017 0.000 1.150 62 I CA 0.827 62.153 61.300 0.043 0.000 1.448 62 I CB -0.035 38.004 38.000 0.065 0.000 1.197 62 I HN 0.669 nan 8.210 nan 0.000 0.450 63 A N 0.469 123.307 122.820 0.030 0.000 2.572 63 A HA 0.731 5.051 4.320 -0.001 0.000 0.295 63 A C -1.310 176.215 177.584 -0.097 0.000 1.072 63 A CA -0.362 51.615 52.037 -0.100 0.000 0.691 63 A CB 2.076 21.007 19.000 -0.115 0.000 1.291 63 A HN -0.159 nan 8.150 nan 0.000 0.404 64 V N 1.369 121.096 119.914 -0.310 0.000 2.577 64 V HA 0.609 4.728 4.120 -0.001 0.000 0.303 64 V C -1.269 174.648 176.094 -0.295 0.000 1.042 64 V CA -0.273 61.956 62.300 -0.119 0.000 0.872 64 V CB 1.239 33.027 31.823 -0.059 0.000 0.998 64 V HN 0.741 nan 8.190 nan 0.000 0.423 65 F N 1.572 121.621 119.950 0.164 0.000 2.523 65 F HA 0.848 5.375 4.527 -0.001 0.000 0.329 65 F C 0.604 176.523 175.800 0.197 0.000 1.061 65 F CA -0.459 57.633 58.000 0.153 0.000 0.967 65 F CB 2.481 41.572 39.000 0.153 0.000 1.218 65 F HN 0.366 nan 8.300 nan 0.000 0.480 66 T N -0.174 114.582 114.554 0.337 0.000 2.868 66 T HA 0.472 4.822 4.350 -0.001 0.000 0.306 66 T C 0.626 175.452 174.700 0.210 0.000 1.224 66 T CA -0.097 62.151 62.100 0.247 0.000 1.012 66 T CB 1.765 70.716 68.868 0.138 0.000 1.221 66 T HN 0.678 nan 8.240 nan 0.000 0.499 67 A N 1.082 124.006 122.820 0.173 0.000 2.009 67 A HA -0.082 4.237 4.320 -0.001 0.000 0.222 67 A C 2.376 180.029 177.584 0.115 0.000 1.175 67 A CA 2.689 54.810 52.037 0.140 0.000 0.651 67 A CB -1.067 18.006 19.000 0.121 0.000 0.815 67 A HN 0.981 nan 8.150 nan 0.000 0.459 68 A N -0.207 122.672 122.820 0.100 0.000 1.898 68 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 68 A C 1.629 179.263 177.584 0.083 0.000 1.181 68 A CA 1.592 53.673 52.037 0.074 0.000 0.620 68 A CB -0.461 18.570 19.000 0.051 0.000 0.819 68 A HN 0.528 nan 8.150 nan 0.000 0.442 69 D N -0.290 120.185 120.400 0.125 0.000 2.363 69 D HA 0.059 4.698 4.640 -0.001 0.000 0.226 69 D C 0.049 176.460 176.300 0.185 0.000 1.020 69 D CA 0.234 54.330 54.000 0.159 0.000 0.892 69 D CB -0.111 40.818 40.800 0.214 0.000 0.900 69 D HN 0.350 nan 8.370 nan 0.000 0.531 70 L N 2.777 124.086 121.223 0.144 0.000 2.418 70 L HA 0.062 4.402 4.340 -0.001 0.000 0.274 70 L C -0.680 176.213 176.870 0.039 0.000 1.135 70 L CA -1.097 53.807 54.840 0.107 0.000 0.870 70 L CB 0.766 42.888 42.059 0.105 0.000 1.154 70 L HN -0.150 nan 8.230 nan 0.000 0.462 71 P HA -0.091 nan 4.420 nan 0.000 0.217 71 P C 0.182 177.192 177.300 -0.482 0.000 1.151 71 P CA 1.524 64.510 63.100 -0.190 0.000 0.828 71 P CB 0.390 32.044 31.700 -0.076 0.000 0.788 72 H N -1.713 117.393 119.070 0.060 0.000 4.945 72 H HA 0.283 4.838 4.556 -0.001 0.000 0.278 72 H C -0.256 175.108 175.328 0.060 0.000 1.286 72 H CA -0.651 55.433 56.048 0.059 0.000 0.407 72 H CB -0.855 28.946 29.762 0.065 0.000 1.458 72 H HN -0.207 nan 8.280 nan 0.000 0.488 73 D N 0.659 121.197 120.400 0.230 0.000 2.449 73 D HA 0.046 4.686 4.640 -0.001 0.000 0.236 73 D C 0.053 176.415 176.300 0.104 0.000 1.149 73 D CA 0.553 54.632 54.000 0.132 0.000 0.878 73 D CB 0.306 41.180 40.800 0.123 0.000 1.198 73 D HN 0.315 nan 8.370 nan 0.000 0.446 74 N N 1.691 120.437 118.700 0.076 0.000 2.644 74 N HA 0.125 4.865 4.740 -0.001 0.000 0.313 74 N C -1.887 173.653 175.510 0.050 0.000 1.863 74 N CA -0.448 52.646 53.050 0.073 0.000 0.918 74 N CB 0.191 38.730 38.487 0.087 0.000 1.320 74 N HN 0.301 nan 8.380 nan 0.000 0.490 75 D N -0.704 119.710 120.400 0.024 0.000 2.646 75 D HA 0.645 5.285 4.640 -0.001 0.000 0.245 75 D C -0.449 175.820 176.300 -0.053 0.000 1.099 75 D CA -0.644 53.350 54.000 -0.011 0.000 0.849 75 D CB 1.826 42.618 40.800 -0.014 0.000 1.448 75 D HN 0.097 nan 8.370 nan 0.000 0.489 76 A N 2.431 125.180 122.820 -0.119 0.000 2.628 76 A HA 0.274 4.594 4.320 -0.001 0.000 0.267 76 A C 0.421 177.930 177.584 -0.125 0.000 1.159 76 A CA -0.302 51.608 52.037 -0.211 0.000 0.972 76 A CB 0.191 18.808 19.000 -0.639 0.000 1.211 76 A HN 0.346 nan 8.150 nan 0.000 0.576 77 S N 1.454 117.099 115.700 -0.092 0.000 2.545 77 S HA 0.402 4.872 4.470 -0.001 0.000 0.275 77 S C -1.165 173.383 174.600 -0.086 0.000 1.299 77 S CA -1.303 56.845 58.200 -0.087 0.000 1.048 77 S CB 0.953 64.076 63.200 -0.129 0.000 0.938 77 S HN 0.267 nan 8.310 nan 0.000 0.496 78 P HA 0.085 nan 4.420 nan 0.000 0.223 78 P C 0.193 177.451 177.300 -0.071 0.000 1.151 78 P CA 0.417 63.474 63.100 -0.072 0.000 0.787 78 P CB -0.064 31.629 31.700 -0.011 0.000 0.788 79 A N 0.920 123.692 122.820 -0.080 0.000 2.304 79 A HA 0.386 4.705 4.320 -0.001 0.000 0.271 79 A C -1.249 176.290 177.584 -0.074 0.000 1.091 79 A CA -1.296 50.693 52.037 -0.080 0.000 0.812 79 A CB -0.426 18.498 19.000 -0.127 0.000 1.056 79 A HN -0.062 nan 8.150 nan 0.000 0.489 80 P HA -0.100 nan 4.420 nan 0.000 0.217 80 P C 0.511 177.784 177.300 -0.045 0.000 1.148 80 P CA 1.593 64.670 63.100 -0.038 0.000 0.828 80 P CB -0.118 31.568 31.700 -0.022 0.000 0.783 81 S N -0.309 115.356 115.700 -0.059 0.000 2.510 81 S HA 0.275 4.745 4.470 -0.001 0.000 0.279 81 S C -2.458 172.093 174.600 -0.081 0.000 1.284 81 S CA -1.389 56.778 58.200 -0.056 0.000 1.059 81 S CB -0.150 63.020 63.200 -0.049 0.000 0.901 81 S HN -0.040 nan 8.310 nan 0.000 0.491 82 P HA 0.274 nan 4.420 nan 0.000 0.271 82 P C -0.585 176.661 177.300 -0.089 0.000 1.218 82 P CA -0.272 62.794 63.100 -0.057 0.000 0.780 82 P CB 0.415 32.103 31.700 -0.019 0.000 0.901 83 E N 3.221 123.369 120.200 -0.088 0.000 2.265 83 E HA 0.290 4.640 4.350 -0.001 0.000 0.262 83 E C -2.640 173.996 176.600 0.061 0.000 0.889 83 E CA -2.687 53.645 56.400 -0.113 0.000 0.789 83 E CB 1.544 31.095 29.700 -0.248 0.000 1.221 83 E HN 0.236 nan 8.360 nan 0.000 0.414 84 P HA -0.022 nan 4.420 nan 0.000 0.268 84 P C 0.819 178.264 177.300 0.242 0.000 1.205 84 P CA -0.170 63.054 63.100 0.208 0.000 0.771 84 P CB 1.498 33.349 31.700 0.252 0.000 0.858 85 V N 3.085 123.077 119.914 0.131 0.000 2.407 85 V HA -0.066 4.053 4.120 -0.001 0.000 0.245 85 V C 1.335 177.500 176.094 0.118 0.000 1.041 85 V CA 1.381 63.751 62.300 0.118 0.000 1.040 85 V CB -0.706 31.153 31.823 0.061 0.000 0.671 85 V HN 0.413 nan 8.190 nan 0.000 0.455 86 L N 0.256 121.555 121.223 0.126 0.000 2.334 86 L HA 0.715 5.055 4.340 -0.001 0.000 0.276 86 L C 0.250 177.196 176.870 0.127 0.000 1.014 86 L CA -0.837 54.068 54.840 0.109 0.000 0.815 86 L CB 1.546 43.706 42.059 0.168 0.000 1.268 86 L HN 0.153 nan 8.230 nan 0.000 0.428 87 A N 0.984 123.861 122.820 0.096 0.000 2.548 87 A HA 0.247 4.566 4.320 -0.001 0.000 0.247 87 A C 0.671 178.330 177.584 0.124 0.000 1.067 87 A CA 0.043 52.145 52.037 0.109 0.000 0.757 87 A CB -0.338 18.693 19.000 0.051 0.000 0.996 87 A HN 0.740 nan 8.150 nan 0.000 0.504 88 T N 0.769 115.414 114.554 0.151 0.000 3.540 88 T HA 0.500 4.849 4.350 -0.001 0.000 0.269 88 T C 1.179 175.945 174.700 0.109 0.000 1.481 88 T CA 0.293 62.470 62.100 0.128 0.000 1.224 88 T CB -0.185 68.765 68.868 0.138 0.000 1.192 88 T HN 2.233 nan 8.240 nan 0.000 0.756 89 G N 1.510 110.358 108.800 0.080 0.000 2.225 89 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.254 89 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.254 89 G C -0.210 174.714 174.900 0.039 0.000 0.988 89 G CA 0.158 45.289 45.100 0.052 0.000 0.625 89 G HN 1.007 nan 8.290 nan 0.000 0.527 90 E N -1.143 119.087 120.200 0.049 0.000 2.372 90 E HA 0.637 4.987 4.350 -0.001 0.000 0.279 90 E C -0.470 176.063 176.600 -0.112 0.000 0.946 90 E CA -0.778 55.605 56.400 -0.029 0.000 0.769 90 E CB 2.363 32.029 29.700 -0.056 0.000 1.230 90 E HN 1.067 nan 8.360 nan 0.000 0.442 91 V N -0.687 119.082 119.914 -0.240 0.000 2.769 91 V HA 0.519 4.638 4.120 -0.001 0.000 0.312 91 V C -0.210 175.570 176.094 -0.523 0.000 1.058 91 V CA -0.484 61.636 62.300 -0.300 0.000 0.952 91 V CB 1.558 33.252 31.823 -0.214 0.000 1.019 91 V HN 0.928 nan 8.190 nan 0.000 0.445 92 H N 3.263 122.196 119.070 -0.228 0.000 3.078 92 H HA 0.396 4.952 4.556 -0.001 0.000 0.263 92 H C -0.497 174.814 175.328 -0.028 0.000 1.177 92 H CA 0.598 56.612 56.048 -0.057 0.000 1.128 92 H CB 1.139 31.033 29.762 0.220 0.000 1.623 92 H HN 0.814 nan 8.280 nan 0.000 0.592 93 F N -1.892 117.853 119.950 -0.342 0.000 2.740 93 F HA 0.323 4.850 4.527 -0.001 0.000 0.312 93 F C -1.723 173.912 175.800 -0.274 0.000 1.121 93 F CA -1.306 56.518 58.000 -0.294 0.000 0.977 93 F CB 0.466 39.268 39.000 -0.330 0.000 1.265 93 F HN -0.329 nan 8.300 nan 0.000 0.443 94 V N 3.633 123.412 119.914 -0.225 0.000 2.458 94 V HA 0.413 4.533 4.120 -0.001 0.000 0.287 94 V C 1.077 176.938 176.094 -0.388 0.000 1.009 94 V CA 1.539 63.664 62.300 -0.292 0.000 1.091 94 V CB -0.001 31.753 31.823 -0.115 0.000 0.960 94 V HN 1.697 nan 8.190 nan 0.000 0.476 95 G N 3.503 111.952 108.800 -0.586 0.000 2.154 95 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.186 95 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.186 95 G C 0.100 174.480 174.900 -0.868 0.000 1.000 95 G CA 0.063 44.857 45.100 -0.509 0.000 0.664 95 G HN 0.705 nan 8.290 nan 0.000 0.513 96 Q N 0.983 119.940 119.800 -1.405 0.000 2.293 96 Q HA 0.387 4.727 4.340 -0.001 0.000 0.263 96 Q C -2.327 173.353 176.000 -0.532 0.000 1.002 96 Q CA -1.763 53.367 55.803 -1.121 0.000 0.910 96 Q CB 0.845 28.879 28.738 -1.174 0.000 1.185 96 Q HN 0.151 nan 8.270 nan 0.000 0.401 97 P HA -0.036 nan 4.420 nan 0.000 0.260 97 P C -0.298 176.862 177.300 -0.233 0.000 1.207 97 P CA 0.648 63.482 63.100 -0.443 0.000 0.780 97 P CB 0.414 31.512 31.700 -1.004 0.000 0.789 98 I N 3.748 124.240 120.570 -0.129 0.000 2.385 98 I HA 0.023 4.193 4.170 -0.001 0.000 0.244 98 I C 0.993 177.242 176.117 0.220 0.000 1.089 98 I CA 0.966 62.303 61.300 0.062 0.000 1.410 98 I CB -0.134 37.965 38.000 0.165 0.000 1.117 98 I HN 0.250 nan 8.210 nan 0.000 0.429 99 F N -0.345 119.685 119.950 0.133 0.000 2.640 99 F HA 0.772 5.299 4.527 -0.001 0.000 0.324 99 F C -1.071 174.943 175.800 0.356 0.000 1.077 99 F CA -1.530 56.596 58.000 0.210 0.000 0.965 99 F CB 1.181 40.267 39.000 0.144 0.000 1.351 99 F HN -0.297 nan 8.300 nan 0.000 0.487 100 L N 1.975 123.527 121.223 0.547 0.000 2.362 100 L HA 0.817 5.157 4.340 -0.001 0.000 0.271 100 L C -1.436 175.717 176.870 0.471 0.000 1.002 100 L CA -0.789 54.301 54.840 0.417 0.000 0.818 100 L CB 2.125 44.395 42.059 0.352 0.000 1.298 100 L HN 0.626 nan 8.230 nan 0.000 0.420 101 V N 3.782 123.871 119.914 0.292 0.000 2.495 101 V HA 0.841 4.960 4.120 -0.001 0.000 0.298 101 V C 0.037 176.261 176.094 0.216 0.000 1.031 101 V CA -0.532 61.937 62.300 0.282 0.000 0.871 101 V CB 1.298 33.259 31.823 0.231 0.000 0.988 101 V HN 0.938 nan 8.190 nan 0.000 0.432 102 A N 3.716 126.686 122.820 0.250 0.000 2.271 102 A HA 0.945 5.265 4.320 -0.001 0.000 0.317 102 A C 0.016 177.687 177.584 0.146 0.000 1.245 102 A CA -0.073 52.086 52.037 0.204 0.000 0.857 102 A CB 0.914 20.088 19.000 0.290 0.000 1.175 102 A HN 1.433 nan 8.150 nan 0.000 0.512 103 A N 1.428 124.330 122.820 0.136 0.000 2.527 103 A HA 0.711 5.031 4.320 -0.001 0.000 0.293 103 A C 0.868 178.543 177.584 0.152 0.000 1.117 103 A CA 0.190 52.300 52.037 0.120 0.000 0.723 103 A CB 0.484 19.543 19.000 0.099 0.000 1.313 103 A HN 1.438 nan 8.150 nan 0.000 0.411 104 T N -1.171 113.457 114.554 0.124 0.000 3.163 104 T HA 0.275 4.624 4.350 -0.001 0.000 0.260 104 T C 0.523 175.323 174.700 0.166 0.000 1.156 104 T CA 0.966 63.152 62.100 0.143 0.000 1.072 104 T CB -0.965 67.957 68.868 0.089 0.000 0.937 104 T HN 1.637 nan 8.240 nan 0.000 0.528 105 S N -1.159 114.612 115.700 0.118 0.000 2.547 105 S HA 0.336 4.806 4.470 -0.001 0.000 0.270 105 S C 0.302 174.874 174.600 -0.047 0.000 1.150 105 S CA -0.914 57.251 58.200 -0.058 0.000 0.850 105 S CB 1.208 64.375 63.200 -0.055 0.000 1.118 105 S HN 0.218 nan 8.310 nan 0.000 0.461 106 H N 1.638 120.511 119.070 -0.329 0.000 2.319 106 H HA -0.088 4.468 4.556 -0.001 0.000 0.299 106 H C 1.797 177.104 175.328 -0.034 0.000 1.092 106 H CA 1.977 57.952 56.048 -0.122 0.000 1.302 106 H CB 0.019 29.687 29.762 -0.156 0.000 1.373 106 H HN 0.498 nan 8.280 nan 0.000 0.497 107 R N 0.357 120.826 120.500 -0.051 0.000 2.082 107 R HA -0.101 4.239 4.340 -0.001 0.000 0.234 107 R C 2.570 178.835 176.300 -0.058 0.000 1.136 107 R CA 1.140 57.202 56.100 -0.063 0.000 0.935 107 R CB -1.009 29.290 30.300 -0.003 0.000 0.842 107 R HN 0.398 nan 8.270 nan 0.000 0.430 108 A N 1.106 123.913 122.820 -0.021 0.000 1.986 108 A HA -0.161 4.158 4.320 -0.001 0.000 0.220 108 A C 2.379 179.970 177.584 0.011 0.000 1.171 108 A CA 2.022 54.062 52.037 0.004 0.000 0.640 108 A CB -0.552 18.461 19.000 0.022 0.000 0.811 108 A HN 0.440 nan 8.150 nan 0.000 0.451 109 A N -0.169 122.650 122.820 -0.001 0.000 1.877 109 A HA -0.155 4.165 4.320 -0.001 0.000 0.216 109 A C 2.268 179.841 177.584 -0.019 0.000 1.186 109 A CA 1.428 53.471 52.037 0.011 0.000 0.620 109 A CB -0.461 18.550 19.000 0.018 0.000 0.822 109 A HN 0.546 nan 8.150 nan 0.000 0.443 110 R N -0.625 119.814 120.500 -0.101 0.000 2.092 110 R HA -0.014 4.326 4.340 -0.001 0.000 0.231 110 R C 2.042 178.330 176.300 -0.020 0.000 1.119 110 R CA 1.371 57.418 56.100 -0.089 0.000 0.970 110 R CB -0.587 29.613 30.300 -0.167 0.000 0.864 110 R HN 0.561 nan 8.270 nan 0.000 0.440 111 I N 1.058 121.621 120.570 -0.012 0.000 2.127 111 I HA -0.304 3.865 4.170 -0.001 0.000 0.241 111 I C 2.627 178.771 176.117 0.046 0.000 1.075 111 I CA 1.598 62.908 61.300 0.017 0.000 1.334 111 I CB -0.409 37.599 38.000 0.014 0.000 1.040 111 I HN 0.173 nan 8.210 nan 0.000 0.405 112 A N 0.408 123.265 122.820 0.061 0.000 2.015 112 A HA -0.026 4.293 4.320 -0.001 0.000 0.219 112 A C 2.293 179.986 177.584 0.181 0.000 1.163 112 A CA 1.408 53.505 52.037 0.101 0.000 0.646 112 A CB -0.688 18.372 19.000 0.101 0.000 0.806 112 A HN 0.436 nan 8.150 nan 0.000 0.448 113 A N -0.920 121.997 122.820 0.163 0.000 2.255 113 A HA 0.103 4.422 4.320 -0.001 0.000 0.206 113 A C 1.789 179.476 177.584 0.171 0.000 1.193 113 A CA 0.644 52.793 52.037 0.185 0.000 0.794 113 A CB -0.341 18.664 19.000 0.009 0.000 0.794 113 A HN 0.526 nan 8.150 nan 0.000 0.481 114 R N -1.425 119.167 120.500 0.153 0.000 2.487 114 R HA 0.152 4.492 4.340 -0.001 0.000 0.272 114 R C 0.712 177.080 176.300 0.114 0.000 0.928 114 R CA 0.042 56.212 56.100 0.117 0.000 1.077 114 R CB 0.293 30.632 30.300 0.065 0.000 1.265 114 R HN 0.276 nan 8.270 nan 0.000 0.537 115 K N 0.999 121.471 120.400 0.120 0.000 2.437 115 K HA 0.257 4.577 4.320 -0.001 0.000 0.198 115 K C 0.338 176.962 176.600 0.040 0.000 1.024 115 K CA -0.210 56.117 56.287 0.067 0.000 1.148 115 K CB 0.947 33.473 32.500 0.045 0.000 0.860 115 K HN 0.062 nan 8.250 nan 0.000 0.515 116 A N 1.532 124.397 122.820 0.075 0.000 2.327 116 A HA 0.282 4.602 4.320 -0.001 0.000 0.255 116 A C -0.164 177.412 177.584 -0.012 0.000 1.099 116 A CA -0.124 51.903 52.037 -0.017 0.000 0.801 116 A CB 0.352 19.366 19.000 0.024 0.000 1.062 116 A HN 0.284 nan 8.150 nan 0.000 0.496 117 R N 0.236 120.699 120.500 -0.062 0.000 2.467 117 R HA 0.435 4.775 4.340 -0.001 0.000 0.299 117 R C -1.629 174.613 176.300 -0.097 0.000 1.120 117 R CA -0.009 56.059 56.100 -0.054 0.000 0.940 117 R CB 1.061 31.328 30.300 -0.055 0.000 1.161 117 R HN 0.632 nan 8.270 nan 0.000 0.506 118 I N 2.367 122.871 120.570 -0.110 0.000 2.362 118 I HA 0.253 4.423 4.170 -0.001 0.000 0.289 118 I C 0.479 176.362 176.117 -0.391 0.000 0.994 118 I CA -0.763 60.369 61.300 -0.280 0.000 1.158 118 I CB 2.083 39.880 38.000 -0.338 0.000 1.315 118 I HN 0.443 nan 8.210 nan 0.000 0.451 119 T N 2.318 116.644 114.554 -0.381 0.000 2.837 119 T HA 0.608 4.958 4.350 -0.001 0.000 0.285 119 T C -0.763 173.698 174.700 -0.398 0.000 0.984 119 T CA -0.547 61.389 62.100 -0.274 0.000 1.049 119 T CB 0.816 69.610 68.868 -0.123 0.000 0.947 119 T HN 0.279 nan 8.240 nan 0.000 0.472 120 Y N 0.564 120.847 120.300 -0.028 0.000 2.468 120 Y HA 0.612 5.161 4.550 -0.001 0.000 0.342 120 Y C 0.300 176.180 175.900 -0.033 0.000 1.021 120 Y CA -1.508 56.570 58.100 -0.037 0.000 1.079 120 Y CB 2.024 40.454 38.460 -0.050 0.000 1.226 120 Y HN 0.922 nan 8.280 nan 0.000 0.460 121 A N 3.935 126.831 122.820 0.126 0.000 2.838 121 A HA 0.542 4.861 4.320 -0.001 0.000 0.337 121 A C -2.802 174.810 177.584 0.047 0.000 1.383 121 A CA -1.782 50.293 52.037 0.063 0.000 0.985 121 A CB -0.605 18.414 19.000 0.031 0.000 1.157 121 A HN 0.407 nan 8.150 nan 0.000 0.497 122 P HA 0.166 nan 4.420 nan 0.000 0.265 122 P C -0.018 177.270 177.300 -0.020 0.000 1.193 122 P CA 0.429 63.520 63.100 -0.015 0.000 0.765 122 P CB 0.537 32.218 31.700 -0.031 0.000 0.823 123 R N 3.667 124.145 120.500 -0.037 0.000 2.875 123 R HA 0.581 4.921 4.340 -0.001 0.000 0.251 123 R C -2.319 173.959 176.300 -0.035 0.000 1.123 123 R CA -2.060 54.023 56.100 -0.029 0.000 1.064 123 R CB 0.005 30.287 30.300 -0.029 0.000 1.205 123 R HN 0.297 nan 8.270 nan 0.000 0.503 124 P HA 0.149 nan 4.420 nan 0.000 0.282 124 P C -1.028 176.255 177.300 -0.029 0.000 1.262 124 P CA -0.194 62.891 63.100 -0.025 0.000 0.773 124 P CB 1.053 32.744 31.700 -0.015 0.000 0.879 125 A N 3.729 126.526 122.820 -0.039 0.000 2.313 125 A HA 0.456 4.775 4.320 -0.001 0.000 0.261 125 A C 0.234 177.797 177.584 -0.034 0.000 1.090 125 A CA -0.427 51.585 52.037 -0.041 0.000 0.807 125 A CB -0.077 18.887 19.000 -0.060 0.000 1.055 125 A HN 0.566 nan 8.150 nan 0.000 0.492 126 I N 2.041 122.589 120.570 -0.035 0.000 2.778 126 I HA 0.139 4.309 4.170 -0.001 0.000 0.285 126 I C 0.316 176.392 176.117 -0.068 0.000 1.236 126 I CA 0.100 61.374 61.300 -0.042 0.000 1.089 126 I CB 0.191 38.170 38.000 -0.036 0.000 1.601 126 I HN 0.609 nan 8.210 nan 0.000 0.573 127 L N 1.105 122.282 121.223 -0.076 0.000 2.068 127 L HA 0.028 4.368 4.340 -0.001 0.000 0.204 127 L C 1.612 178.405 176.870 -0.127 0.000 1.076 127 L CA 0.922 55.687 54.840 -0.124 0.000 0.753 127 L CB -0.495 41.503 42.059 -0.101 0.000 0.910 127 L HN 0.579 nan 8.230 nan 0.000 0.439 128 T N -2.615 111.897 114.554 -0.070 0.000 2.874 128 T HA 0.339 4.689 4.350 -0.001 0.000 0.281 128 T C 1.028 175.694 174.700 -0.057 0.000 0.994 128 T CA -0.635 61.434 62.100 -0.052 0.000 1.015 128 T CB 1.681 70.539 68.868 -0.016 0.000 1.028 128 T HN -0.058 nan 8.240 nan 0.000 0.523 129 L N 0.858 122.051 121.223 -0.050 0.000 2.046 129 L HA -0.019 4.321 4.340 -0.001 0.000 0.208 129 L C 2.646 179.483 176.870 -0.055 0.000 1.077 129 L CA 1.653 56.459 54.840 -0.057 0.000 0.747 129 L CB -0.799 41.227 42.059 -0.053 0.000 0.896 129 L HN 0.734 nan 8.230 nan 0.000 0.432 130 D N -0.241 120.134 120.400 -0.042 0.000 2.116 130 D HA -0.264 4.376 4.640 -0.001 0.000 0.193 130 D C 2.120 178.396 176.300 -0.040 0.000 0.998 130 D CA 1.552 55.528 54.000 -0.040 0.000 0.836 130 D CB -0.197 40.589 40.800 -0.023 0.000 0.951 130 D HN 0.541 nan 8.370 nan 0.000 0.449 131 Q N 0.532 120.310 119.800 -0.036 0.000 2.050 131 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 131 Q C 2.356 178.331 176.000 -0.041 0.000 0.980 131 Q CA 1.417 57.200 55.803 -0.034 0.000 0.840 131 Q CB -0.144 28.575 28.738 -0.032 0.000 0.898 131 Q HN 0.248 nan 8.270 nan 0.000 0.424 132 A N 0.646 123.436 122.820 -0.051 0.000 1.898 132 A HA -0.156 4.164 4.320 -0.001 0.000 0.216 132 A C 2.018 179.569 177.584 -0.054 0.000 1.181 132 A CA 0.978 52.981 52.037 -0.057 0.000 0.620 132 A CB -0.551 18.409 19.000 -0.067 0.000 0.819 132 A HN 0.305 nan 8.150 nan 0.000 0.442 133 L N -0.278 120.909 121.223 -0.060 0.000 2.046 133 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 133 L C 2.710 179.550 176.870 -0.050 0.000 1.077 133 L CA 2.061 56.860 54.840 -0.068 0.000 0.747 133 L CB -0.813 41.180 42.059 -0.110 0.000 0.896 133 L HN 0.363 nan 8.230 nan 0.000 0.432 134 A N -0.872 121.921 122.820 -0.044 0.000 1.872 134 A HA 0.047 4.367 4.320 -0.001 0.000 0.214 134 A C 2.168 179.737 177.584 -0.026 0.000 1.187 134 A CA 1.288 53.306 52.037 -0.032 0.000 0.614 134 A CB -0.942 18.042 19.000 -0.027 0.000 0.826 134 A HN 0.448 nan 8.150 nan 0.000 0.442 135 A N -1.039 121.764 122.820 -0.029 0.000 2.276 135 A HA 0.316 4.636 4.320 -0.001 0.000 0.212 135 A C 0.639 178.204 177.584 -0.031 0.000 1.230 135 A CA 0.870 52.891 52.037 -0.027 0.000 0.844 135 A CB -0.571 18.412 19.000 -0.028 0.000 0.860 135 A HN 0.526 nan 8.150 nan 0.000 0.486 136 D N -0.559 119.823 120.400 -0.030 0.000 2.686 136 D HA -0.163 4.477 4.640 -0.001 0.000 0.235 136 D C -0.054 176.213 176.300 -0.055 0.000 1.160 136 D CA 1.156 55.139 54.000 -0.030 0.000 0.645 136 D CB -1.333 39.456 40.800 -0.019 0.000 1.039 136 D HN 0.297 nan 8.370 nan 0.000 0.423 137 S N 0.758 116.414 115.700 -0.073 0.000 2.434 137 S HA 0.556 5.025 4.470 -0.001 0.000 0.318 137 S C -0.042 174.456 174.600 -0.171 0.000 1.062 137 S CA -0.532 57.594 58.200 -0.123 0.000 1.116 137 S CB 0.236 63.374 63.200 -0.103 0.000 0.977 137 S HN 0.462 nan 8.310 nan 0.000 0.480 138 R N 2.592 122.948 120.500 -0.240 0.000 2.752 138 R HA 0.541 4.881 4.340 -0.001 0.000 0.271 138 R C -1.649 174.422 176.300 -0.382 0.000 1.026 138 R CA -0.857 55.103 56.100 -0.233 0.000 0.901 138 R CB 0.553 30.816 30.300 -0.062 0.000 1.243 138 R HN 0.390 nan 8.270 nan 0.000 0.463 139 F N 0.493 120.431 119.950 -0.020 0.000 2.497 139 F HA 0.345 4.872 4.527 -0.001 0.000 0.331 139 F C 0.687 176.470 175.800 -0.027 0.000 1.060 139 F CA -0.175 57.808 58.000 -0.028 0.000 0.989 139 F CB 1.554 40.530 39.000 -0.041 0.000 1.245 139 F HN 0.876 nan 8.300 nan 0.000 0.486 140 E N -0.107 120.211 120.200 0.196 0.000 3.916 140 E HA -0.203 4.147 4.350 -0.001 0.000 0.331 140 E C 0.665 177.294 176.600 0.049 0.000 0.729 140 E CA 0.580 57.036 56.400 0.094 0.000 1.222 140 E CB -1.572 28.169 29.700 0.069 0.000 1.633 140 E HN 1.137 nan 8.360 nan 0.000 0.437 141 G N 0.019 108.841 108.800 0.038 0.000 2.374 141 G HA2 0.159 4.118 3.960 -0.001 0.000 0.289 141 G HA3 0.159 4.118 3.960 -0.001 0.000 0.289 141 G C 0.450 175.353 174.900 0.006 0.000 1.004 141 G CA 0.930 46.038 45.100 0.012 0.000 1.292 141 G HN 1.248 nan 8.290 nan 0.000 0.502 142 G N 0.580 109.379 108.800 -0.001 0.000 2.576 142 G HA2 0.406 4.366 3.960 -0.001 0.000 0.686 142 G HA3 0.406 4.366 3.960 -0.001 0.000 0.686 142 G C -2.210 172.651 174.900 -0.065 0.000 1.242 142 G CA -0.184 44.907 45.100 -0.016 0.000 0.819 142 G HN 1.008 nan 8.290 nan 0.000 0.655 143 P HA 0.421 nan 4.420 nan 0.000 0.276 143 P C 0.231 177.398 177.300 -0.221 0.000 1.235 143 P CA -0.174 62.713 63.100 -0.356 0.000 0.772 143 P CB 1.427 32.609 31.700 -0.862 0.000 0.871 144 V N 5.721 125.517 119.914 -0.197 0.000 2.470 144 V HA 0.146 4.265 4.120 -0.001 0.000 0.276 144 V C 0.759 176.718 176.094 -0.226 0.000 1.040 144 V CA 0.161 62.366 62.300 -0.158 0.000 1.008 144 V CB -0.092 31.636 31.823 -0.158 0.000 0.990 144 V HN 0.382 nan 8.190 nan 0.000 0.477 145 I N 5.132 125.645 120.570 -0.095 0.000 2.447 145 I HA 0.434 4.604 4.170 -0.001 0.000 0.287 145 I C -0.846 175.405 176.117 0.223 0.000 1.023 145 I CA -0.376 60.910 61.300 -0.023 0.000 1.083 145 I CB 1.643 39.653 38.000 0.017 0.000 1.245 145 I HN 0.499 nan 8.210 nan 0.000 0.434 146 W N 4.739 126.098 121.300 0.098 0.000 2.639 146 W HA 0.826 5.486 4.660 -0.000 0.000 0.347 146 W C -0.215 176.378 176.519 0.124 0.000 1.067 146 W CA -1.610 55.816 57.345 0.134 0.000 1.218 146 W CB 1.752 31.342 29.460 0.215 0.000 1.393 146 W HN 0.425 nan 8.180 nan 0.000 0.557 147 A N 2.672 125.705 122.820 0.354 0.000 2.459 147 A HA 0.697 5.017 4.320 -0.001 0.000 0.296 147 A C -1.217 176.481 177.584 0.189 0.000 1.039 147 A CA -0.910 51.262 52.037 0.226 0.000 0.698 147 A CB 1.764 20.856 19.000 0.152 0.000 1.261 147 A HN 0.615 nan 8.150 nan 0.000 0.405 148 R N 2.291 122.892 120.500 0.169 0.000 2.409 148 R HA 0.547 4.886 4.340 -0.001 0.000 0.313 148 R C 0.679 177.027 176.300 0.080 0.000 0.953 148 R CA 0.829 57.007 56.100 0.129 0.000 0.849 148 R CB 1.050 31.444 30.300 0.157 0.000 1.171 148 R HN 2.287 nan 8.270 nan 0.000 0.458 149 G N 3.071 111.910 108.800 0.065 0.000 2.569 149 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.259 149 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.259 149 G C -0.906 174.017 174.900 0.039 0.000 1.263 149 G CA 0.136 45.264 45.100 0.045 0.000 0.928 149 G HN 0.625 nan 8.290 nan 0.000 0.572 150 D N 0.549 120.963 120.400 0.024 0.000 2.446 150 D HA 0.467 5.107 4.640 -0.001 0.000 0.251 150 D C 1.740 178.041 176.300 0.002 0.000 1.137 150 D CA 0.240 54.250 54.000 0.017 0.000 0.890 150 D CB 0.989 41.798 40.800 0.015 0.000 1.071 150 D HN 0.732 nan 8.370 nan 0.000 0.528 151 V N 1.881 121.794 119.914 -0.001 0.000 2.358 151 V HA -0.115 4.005 4.120 -0.001 0.000 0.246 151 V C 2.097 178.176 176.094 -0.026 0.000 1.047 151 V CA 1.086 63.372 62.300 -0.022 0.000 1.035 151 V CB -0.519 31.285 31.823 -0.032 0.000 0.658 151 V HN 0.290 nan 8.190 nan 0.000 0.452 152 E N 1.385 121.576 120.200 -0.015 0.000 2.118 152 E HA -0.157 4.193 4.350 -0.001 0.000 0.195 152 E C 2.197 178.787 176.600 -0.017 0.000 0.992 152 E CA 2.301 58.691 56.400 -0.017 0.000 0.804 152 E CB -0.655 29.040 29.700 -0.008 0.000 0.741 152 E HN 0.753 nan 8.360 nan 0.000 0.458 153 T N -0.174 114.374 114.554 -0.011 0.000 2.770 153 T HA -0.030 4.320 4.350 -0.001 0.000 0.263 153 T C 1.899 176.590 174.700 -0.015 0.000 1.039 153 T CA 1.193 63.287 62.100 -0.010 0.000 1.142 153 T CB -0.494 68.373 68.868 -0.002 0.000 0.868 153 T HN 0.293 nan 8.240 nan 0.000 0.435 154 A N 1.517 124.327 122.820 -0.017 0.000 1.883 154 A HA -0.025 4.295 4.320 -0.001 0.000 0.217 154 A C 2.280 179.846 177.584 -0.030 0.000 1.186 154 A CA 1.356 53.380 52.037 -0.022 0.000 0.624 154 A CB -0.978 18.006 19.000 -0.028 0.000 0.822 154 A HN 0.473 nan 8.150 nan 0.000 0.444 155 L N -0.915 120.285 121.223 -0.038 0.000 2.201 155 L HA -0.116 4.224 4.340 -0.001 0.000 0.212 155 L C 2.979 179.825 176.870 -0.040 0.000 1.105 155 L CA 0.723 55.536 54.840 -0.045 0.000 0.775 155 L CB -0.430 41.595 42.059 -0.057 0.000 0.913 155 L HN 0.433 nan 8.230 nan 0.000 0.440 156 A N 0.122 122.922 122.820 -0.033 0.000 1.902 156 A HA -0.067 4.253 4.320 -0.001 0.000 0.217 156 A C 2.002 179.568 177.584 -0.030 0.000 1.181 156 A CA 1.629 53.648 52.037 -0.030 0.000 0.623 156 A CB -0.802 18.184 19.000 -0.023 0.000 0.818 156 A HN 0.406 nan 8.150 nan 0.000 0.443 157 G N -0.941 107.842 108.800 -0.027 0.000 3.820 157 G HA2 0.479 4.438 3.960 -0.001 0.000 0.293 157 G HA3 0.479 4.438 3.960 -0.001 0.000 0.293 157 G C 0.194 175.076 174.900 -0.030 0.000 1.152 157 G CA 0.501 45.585 45.100 -0.027 0.000 0.921 157 G HN 0.686 nan 8.290 nan 0.000 0.544 158 A N 0.445 123.243 122.820 -0.035 0.000 2.302 158 A HA 0.705 5.025 4.320 -0.001 0.000 0.295 158 A C 1.584 179.136 177.584 -0.053 0.000 1.235 158 A CA 0.342 52.359 52.037 -0.033 0.000 0.876 158 A CB 0.714 19.696 19.000 -0.030 0.000 1.133 158 A HN 0.740 nan 8.150 nan 0.000 0.533 159 A N 2.712 125.500 122.820 -0.054 0.000 1.870 159 A HA -0.132 4.188 4.320 -0.001 0.000 0.219 159 A C 1.133 178.552 177.584 -0.276 0.000 1.224 159 A CA 1.438 53.394 52.037 -0.135 0.000 0.650 159 A CB -0.734 18.229 19.000 -0.063 0.000 0.836 159 A HN 0.851 nan 8.150 nan 0.000 0.454 160 H N -2.145 116.906 119.070 -0.032 0.000 2.573 160 H HA 0.694 5.250 4.556 -0.001 0.000 0.351 160 H C -1.199 174.100 175.328 -0.047 0.000 1.163 160 H CA -0.554 55.472 56.048 -0.036 0.000 1.205 160 H CB 1.614 31.355 29.762 -0.034 0.000 1.605 160 H HN 0.371 nan 8.280 nan 0.000 0.525 161 L N 1.331 122.596 121.223 0.069 0.000 2.526 161 L HA 0.602 4.942 4.340 -0.001 0.000 0.263 161 L C -1.424 175.433 176.870 -0.022 0.000 0.943 161 L CA -0.548 54.291 54.840 -0.002 0.000 0.859 161 L CB 1.608 43.645 42.059 -0.037 0.000 1.313 161 L HN 0.724 nan 8.230 nan 0.000 0.406 162 A N 4.081 126.864 122.820 -0.062 0.000 2.343 162 A HA 0.815 5.135 4.320 -0.001 0.000 0.316 162 A C -1.038 176.409 177.584 -0.228 0.000 1.104 162 A CA -0.483 51.464 52.037 -0.150 0.000 0.768 162 A CB 1.410 20.354 19.000 -0.094 0.000 1.213 162 A HN 0.766 nan 8.150 nan 0.000 0.456 163 E N 0.248 120.211 120.200 -0.396 0.000 2.320 163 E HA 0.771 5.121 4.350 -0.001 0.000 0.264 163 E C 0.027 176.161 176.600 -0.777 0.000 0.923 163 E CA -0.646 55.485 56.400 -0.448 0.000 0.796 163 E CB 2.507 32.029 29.700 -0.296 0.000 1.262 163 E HN 1.138 nan 8.360 nan 0.000 0.428 164 G N -0.438 107.751 108.800 -1.019 0.000 2.324 164 G HA2 0.381 4.341 3.960 -0.001 0.000 0.293 164 G HA3 0.381 4.341 3.960 -0.001 0.000 0.293 164 G C -1.850 172.481 174.900 -0.950 0.000 1.297 164 G CA -0.220 44.312 45.100 -0.947 0.000 0.853 164 G HN 0.725 nan 8.290 nan 0.000 0.535 165 C N -0.060 119.100 119.300 -0.233 0.000 3.146 165 C HA 0.831 5.291 4.460 -0.001 0.000 0.405 165 C C -1.506 173.741 174.990 0.429 0.000 1.012 165 C CA -0.827 58.259 59.018 0.113 0.000 1.217 165 C CB -0.155 27.594 27.740 0.016 0.000 1.599 165 C HN 1.821 nan 8.230 nan 0.000 0.567 166 F N 3.159 123.257 119.950 0.248 0.000 2.645 166 F HA 0.818 5.345 4.527 -0.001 0.000 0.310 166 F C -0.567 175.348 175.800 0.192 0.000 1.102 166 F CA -0.702 57.440 58.000 0.236 0.000 0.952 166 F CB 1.105 40.288 39.000 0.306 0.000 1.326 166 F HN 0.484 nan 8.300 nan 0.000 0.456 167 E N 2.597 122.845 120.200 0.080 0.000 2.301 167 E HA 0.465 4.815 4.350 -0.001 0.000 0.275 167 E C -0.800 175.728 176.600 -0.120 0.000 1.030 167 E CA -0.408 55.972 56.400 -0.034 0.000 0.852 167 E CB 2.481 32.224 29.700 0.071 0.000 1.060 167 E HN 0.632 nan 8.360 nan 0.000 0.401 168 I N 1.605 122.099 120.570 -0.127 0.000 2.448 168 I HA 0.249 4.419 4.170 -0.001 0.000 0.281 168 I C 0.720 176.877 176.117 0.066 0.000 1.027 168 I CA -0.757 60.476 61.300 -0.111 0.000 1.111 168 I CB 1.772 39.690 38.000 -0.137 0.000 1.236 168 I HN 0.406 nan 8.210 nan 0.000 0.452 169 G N 3.746 112.569 108.800 0.039 0.000 2.667 169 G HA2 0.451 4.410 3.960 -0.001 0.000 0.250 169 G HA3 0.451 4.410 3.960 -0.001 0.000 0.250 169 G C 0.504 175.605 174.900 0.335 0.000 1.212 169 G CA -0.085 45.111 45.100 0.161 0.000 0.874 169 G HN 0.684 nan 8.290 nan 0.000 0.561 170 G N -1.539 107.462 108.800 0.335 0.000 2.525 170 G HA2 0.478 4.437 3.960 -0.001 0.000 0.276 170 G HA3 0.478 4.437 3.960 -0.001 0.000 0.276 170 G C -0.252 174.864 174.900 0.361 0.000 1.388 170 G CA -0.237 45.070 45.100 0.345 0.000 1.050 170 G HN 0.708 nan 8.290 nan 0.000 0.520 171 Q N -1.093 118.826 119.800 0.199 0.000 2.313 171 Q HA 0.276 4.615 4.340 -0.001 0.000 0.255 171 Q C -1.540 174.546 176.000 0.144 0.000 0.944 171 Q CA -0.676 55.233 55.803 0.178 0.000 0.881 171 Q CB 2.031 30.644 28.738 -0.208 0.000 1.375 171 Q HN 0.514 nan 8.270 nan 0.000 0.422 172 E N 1.500 121.691 120.200 -0.016 0.000 2.338 172 E HA 0.086 4.435 4.350 -0.001 0.000 0.272 172 E C -0.118 176.487 176.600 0.009 0.000 1.029 172 E CA 0.642 56.881 56.400 -0.269 0.000 0.872 172 E CB 0.689 29.821 29.700 -0.947 0.000 1.015 172 E HN 0.675 nan 8.360 nan 0.000 0.417 173 H N 3.843 122.826 119.070 -0.144 0.000 2.321 173 H HA -0.031 4.525 4.556 -0.001 0.000 0.300 173 H C 0.210 175.389 175.328 -0.247 0.000 1.087 173 H CA 1.561 57.343 56.048 -0.444 0.000 1.319 173 H CB -0.238 29.135 29.762 -0.648 0.000 1.379 173 H HN 0.646 nan 8.280 nan 0.000 0.501 174 F N 0.585 120.253 119.950 -0.471 0.000 3.067 174 F HA -0.264 4.262 4.527 -0.001 0.000 0.279 174 F C -0.759 174.907 175.800 -0.223 0.000 0.945 174 F CA -0.361 57.421 58.000 -0.364 0.000 0.948 174 F CB -2.015 36.910 39.000 -0.125 0.000 0.898 174 F HN 0.172 nan 8.300 nan 0.000 0.746 175 Y N -0.272 120.048 120.300 0.032 0.000 2.721 175 Y HA 0.165 4.714 4.550 -0.001 0.000 0.329 175 Y C 1.134 176.924 175.900 -0.184 0.000 1.211 175 Y CA -1.043 57.121 58.100 0.108 0.000 1.512 175 Y CB -0.000 38.548 38.460 0.147 0.000 1.249 175 Y HN 0.120 nan 8.280 nan 0.000 0.549 176 L N 1.474 122.695 121.223 -0.003 0.000 2.079 176 L HA -0.131 4.209 4.340 -0.001 0.000 0.210 176 L C 1.213 178.008 176.870 -0.125 0.000 1.081 176 L CA 1.509 56.245 54.840 -0.174 0.000 0.752 176 L CB -0.719 41.269 42.059 -0.117 0.000 0.896 176 L HN 0.856 nan 8.230 nan 0.000 0.433 177 E N 0.048 120.207 120.200 -0.069 0.000 2.194 177 E HA 0.297 4.646 4.350 -0.001 0.000 0.284 177 E C 0.219 176.823 176.600 0.006 0.000 1.035 177 E CA -0.231 56.103 56.400 -0.110 0.000 0.836 177 E CB 1.129 30.688 29.700 -0.235 0.000 1.070 177 E HN 0.219 nan 8.360 nan 0.000 0.401 178 G N 3.198 112.013 108.800 0.024 0.000 2.684 178 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.255 178 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.255 178 G C -0.095 174.755 174.900 -0.082 0.000 1.219 178 G CA -0.481 44.684 45.100 0.108 0.000 0.901 178 G HN 0.535 nan 8.290 nan 0.000 0.548 179 Q N -0.521 119.252 119.800 -0.044 0.000 2.313 179 Q HA 0.493 4.833 4.340 -0.001 0.000 0.266 179 Q C 0.048 175.895 176.000 -0.255 0.000 0.989 179 Q CA 0.237 55.918 55.803 -0.203 0.000 0.890 179 Q CB 1.389 30.035 28.738 -0.153 0.000 1.200 179 Q HN 0.706 nan 8.270 nan 0.000 0.396 180 A N 0.995 123.685 122.820 -0.217 0.000 2.589 180 A HA 0.827 5.147 4.320 -0.001 0.000 0.296 180 A C -1.652 175.859 177.584 -0.122 0.000 1.062 180 A CA -0.086 51.849 52.037 -0.169 0.000 0.686 180 A CB 1.717 20.655 19.000 -0.104 0.000 1.282 180 A HN 0.705 nan 8.150 nan 0.000 0.404 181 A N 0.321 123.078 122.820 -0.105 0.000 2.587 181 A HA 0.860 5.180 4.320 -0.001 0.000 0.293 181 A C -1.905 175.652 177.584 -0.046 0.000 1.087 181 A CA -0.449 51.548 52.037 -0.066 0.000 0.692 181 A CB 1.593 20.546 19.000 -0.079 0.000 1.291 181 A HN 2.105 nan 8.150 nan 0.000 0.407 182 L N 1.010 122.227 121.223 -0.011 0.000 2.439 182 L HA 0.804 5.144 4.340 -0.001 0.000 0.270 182 L C -0.301 176.564 176.870 -0.008 0.000 0.972 182 L CA -0.033 54.810 54.840 0.005 0.000 0.836 182 L CB 1.683 43.785 42.059 0.072 0.000 1.255 182 L HN 1.200 nan 8.230 nan 0.000 0.404 183 A N 6.394 129.192 122.820 -0.036 0.000 2.273 183 A HA 0.745 5.064 4.320 -0.001 0.000 0.315 183 A C -1.156 176.407 177.584 -0.034 0.000 1.256 183 A CA -0.401 51.605 52.037 -0.052 0.000 0.851 183 A CB 0.304 19.266 19.000 -0.063 0.000 1.172 183 A HN 0.680 nan 8.150 nan 0.000 0.508 184 L N 4.823 126.026 121.223 -0.034 0.000 2.277 184 L HA 0.360 4.699 4.340 -0.001 0.000 0.284 184 L C -2.176 174.678 176.870 -0.026 0.000 1.028 184 L CA -2.023 52.808 54.840 -0.014 0.000 0.835 184 L CB 1.718 43.788 42.059 0.019 0.000 1.215 184 L HN 0.468 nan 8.230 nan 0.000 0.425 185 P HA 0.022 nan 4.420 nan 0.000 0.263 185 P C -0.340 176.953 177.300 -0.012 0.000 1.247 185 P CA 0.040 63.131 63.100 -0.015 0.000 0.876 185 P CB 0.748 32.445 31.700 -0.005 0.000 0.928 186 A N 4.549 127.357 122.820 -0.019 0.000 2.880 186 A HA 0.276 4.596 4.320 -0.001 0.000 0.328 186 A C 0.562 178.137 177.584 -0.015 0.000 1.440 186 A CA -0.685 51.342 52.037 -0.017 0.000 1.068 186 A CB -0.673 18.312 19.000 -0.024 0.000 1.163 186 A HN 0.644 nan 8.150 nan 0.000 0.510 187 E N 1.099 121.294 120.200 -0.009 0.000 1.626 187 E HA -0.167 4.183 4.350 -0.001 0.000 0.273 187 E C 0.900 177.494 176.600 -0.009 0.000 1.490 187 E CA 0.611 57.007 56.400 -0.007 0.000 0.961 187 E CB -1.660 28.035 29.700 -0.008 0.000 0.824 187 E HN 2.037 nan 8.360 nan 0.000 0.316 188 G N 1.906 110.704 108.800 -0.003 0.000 3.079 188 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.214 188 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.214 188 G C 0.647 175.546 174.900 -0.002 0.000 1.335 188 G CA 0.148 45.248 45.100 -0.001 0.000 0.822 188 G HN 1.289 nan 8.290 nan 0.000 0.545 189 G N -0.577 108.217 108.800 -0.010 0.000 2.606 189 G HA2 0.813 4.773 3.960 -0.001 0.000 0.262 189 G HA3 0.813 4.773 3.960 -0.001 0.000 0.262 189 G C -0.151 174.735 174.900 -0.024 0.000 1.394 189 G CA 0.882 45.974 45.100 -0.013 0.000 1.044 189 G HN 1.799 nan 8.290 nan 0.000 0.553 190 V N -3.285 116.606 119.914 -0.038 0.000 3.049 190 V HA 0.785 4.905 4.120 -0.001 0.000 0.309 190 V C -0.755 175.291 176.094 -0.081 0.000 1.148 190 V CA -1.003 61.265 62.300 -0.054 0.000 0.990 190 V CB 1.498 33.287 31.823 -0.057 0.000 1.039 190 V HN 0.583 nan 8.190 nan 0.000 0.430 191 V N 4.261 124.112 119.914 -0.103 0.000 2.513 191 V HA 0.611 4.730 4.120 -0.001 0.000 0.299 191 V C -0.500 175.451 176.094 -0.239 0.000 1.035 191 V CA -0.487 61.708 62.300 -0.175 0.000 0.889 191 V CB 1.627 33.342 31.823 -0.180 0.000 0.988 191 V HN 0.751 nan 8.190 nan 0.000 0.440 192 I N 4.221 124.614 120.570 -0.295 0.000 2.389 192 I HA 0.454 4.623 4.170 -0.001 0.000 0.288 192 I C -0.360 175.538 176.117 -0.364 0.000 0.999 192 I CA -0.460 60.687 61.300 -0.254 0.000 1.129 192 I CB 1.450 39.361 38.000 -0.148 0.000 1.288 192 I HN 0.602 nan 8.210 nan 0.000 0.444 193 H N 5.454 124.499 119.070 -0.042 0.000 2.459 193 H HA 0.627 5.182 4.556 -0.001 0.000 0.332 193 H C -0.121 175.181 175.328 -0.044 0.000 1.094 193 H CA -0.356 55.669 56.048 -0.038 0.000 1.224 193 H CB 2.295 32.036 29.762 -0.034 0.000 1.449 193 H HN 0.815 nan 8.280 nan 0.000 0.484 194 C N 0.513 119.851 119.300 0.064 0.000 3.312 194 C HA 0.379 4.839 4.460 -0.001 0.000 0.332 194 C C 0.432 175.418 174.990 -0.007 0.000 1.340 194 C CA -1.078 57.943 59.018 0.005 0.000 1.265 194 C CB 1.340 29.062 27.740 -0.030 0.000 1.563 194 C HN 0.707 nan 8.230 nan 0.000 0.471 195 S N 1.778 117.452 115.700 -0.044 0.000 3.869 195 S HA 0.525 4.994 4.470 -0.001 0.000 0.241 195 S C 0.034 174.578 174.600 -0.093 0.000 1.363 195 S CA 0.280 58.441 58.200 -0.066 0.000 0.894 195 S CB -0.908 62.225 63.200 -0.111 0.000 1.519 195 S HN 1.058 nan 8.310 nan 0.000 0.470 196 S N 2.688 118.357 115.700 -0.052 0.000 2.513 196 S HA 0.408 4.878 4.470 -0.001 0.000 0.299 196 S C 0.640 175.227 174.600 -0.021 0.000 1.087 196 S CA -0.640 57.537 58.200 -0.038 0.000 1.012 196 S CB 1.496 64.690 63.200 -0.010 0.000 1.044 196 S HN 0.709 nan 8.310 nan 0.000 0.485 197 Q N 1.395 121.188 119.800 -0.012 0.000 2.424 197 Q HA 0.133 4.473 4.340 -0.001 0.000 0.204 197 Q C -0.107 175.929 176.000 0.059 0.000 0.933 197 Q CA 0.495 56.297 55.803 -0.001 0.000 0.929 197 Q CB 0.220 28.946 28.738 -0.019 0.000 1.037 197 Q HN 0.770 nan 8.270 nan 0.000 0.511 198 H N -0.297 118.760 119.070 -0.021 0.000 2.538 198 H HA 0.144 4.700 4.556 -0.001 0.000 0.239 198 H C -2.164 173.148 175.328 -0.027 0.000 1.401 198 H CA -2.153 53.886 56.048 -0.016 0.000 1.499 198 H CB 1.215 30.967 29.762 -0.017 0.000 1.624 198 H HN -0.011 nan 8.280 nan 0.000 0.524 199 P HA -0.113 nan 4.420 nan 0.000 0.217 199 P C 1.522 178.817 177.300 -0.007 0.000 1.150 199 P CA 0.907 64.029 63.100 0.037 0.000 0.832 199 P CB 0.414 32.133 31.700 0.032 0.000 0.787 200 S N -0.403 115.340 115.700 0.070 0.000 2.383 200 S HA -0.211 4.259 4.470 -0.001 0.000 0.229 200 S C 1.966 176.456 174.600 -0.183 0.000 1.030 200 S CA 1.409 59.609 58.200 0.000 0.000 1.002 200 S CB -0.658 62.626 63.200 0.141 0.000 0.829 200 S HN 0.351 nan 8.310 nan 0.000 0.467 201 E N 0.667 120.596 120.200 -0.451 0.000 2.072 201 E HA -0.067 4.283 4.350 -0.001 0.000 0.190 201 E C 1.896 178.341 176.600 -0.258 0.000 0.982 201 E CA 0.766 56.853 56.400 -0.522 0.000 0.803 201 E CB -0.047 29.119 29.700 -0.891 0.000 0.755 201 E HN 0.300 nan 8.360 nan 0.000 0.453 202 I N 1.637 122.092 120.570 -0.191 0.000 2.163 202 I HA -0.314 3.856 4.170 -0.001 0.000 0.243 202 I C 2.644 178.668 176.117 -0.155 0.000 1.085 202 I CA 1.579 62.803 61.300 -0.126 0.000 1.347 202 I CB -1.336 36.612 38.000 -0.086 0.000 1.044 202 I HN 0.416 nan 8.210 nan 0.000 0.408 203 Q N 0.509 120.193 119.800 -0.193 0.000 2.014 203 Q HA -0.310 4.030 4.340 -0.001 0.000 0.207 203 Q C 2.384 178.096 176.000 -0.479 0.000 0.993 203 Q CA 2.375 58.008 55.803 -0.283 0.000 0.850 203 Q CB -0.360 28.218 28.738 -0.266 0.000 0.916 203 Q HN 0.623 nan 8.270 nan 0.000 0.417 204 H N -0.123 118.534 119.070 -0.688 0.000 2.289 204 H HA -0.137 4.418 4.556 -0.001 0.000 0.296 204 H C 1.918 177.008 175.328 -0.397 0.000 1.091 204 H CA 2.080 57.596 56.048 -0.887 0.000 1.274 204 H CB 0.265 29.776 29.762 -0.418 0.000 1.364 204 H HN 0.062 nan 8.280 nan 0.000 0.490 205 K N 0.036 120.466 120.400 0.050 0.000 2.103 205 K HA -0.043 4.277 4.320 -0.001 0.000 0.204 205 K C 2.339 178.947 176.600 0.013 0.000 1.052 205 K CA 0.895 57.251 56.287 0.114 0.000 0.945 205 K CB -0.282 32.233 32.500 0.026 0.000 0.722 205 K HN 0.241 nan 8.250 nan 0.000 0.443 206 V N 1.606 121.471 119.914 -0.082 0.000 2.358 206 V HA -0.214 3.906 4.120 -0.001 0.000 0.246 206 V C 2.435 178.470 176.094 -0.099 0.000 1.047 206 V CA 1.823 64.074 62.300 -0.081 0.000 1.035 206 V CB -0.633 31.129 31.823 -0.101 0.000 0.658 206 V HN 0.258 nan 8.190 nan 0.000 0.452 207 A N -0.510 122.187 122.820 -0.206 0.000 1.865 207 A HA -0.296 4.024 4.320 -0.001 0.000 0.217 207 A C 1.976 179.463 177.584 -0.161 0.000 1.191 207 A CA 2.350 54.255 52.037 -0.221 0.000 0.623 207 A CB -0.980 17.814 19.000 -0.344 0.000 0.826 207 A HN 0.704 nan 8.150 nan 0.000 0.444 208 H N -0.590 118.457 119.070 -0.038 0.000 2.387 208 H HA 0.003 4.559 4.556 -0.001 0.000 0.299 208 H C 2.363 177.694 175.328 0.004 0.000 1.099 208 H CA 1.275 57.315 56.048 -0.013 0.000 1.315 208 H CB -0.066 29.711 29.762 0.024 0.000 1.380 208 H HN 0.549 nan 8.280 nan 0.000 0.513 209 A N 0.399 123.296 122.820 0.128 0.000 2.067 209 A HA -0.064 4.256 4.320 -0.001 0.000 0.219 209 A C 1.926 179.586 177.584 0.128 0.000 1.158 209 A CA 1.111 53.217 52.037 0.115 0.000 0.661 209 A CB -0.145 18.893 19.000 0.064 0.000 0.801 209 A HN 0.372 nan 8.150 nan 0.000 0.452 210 L N -2.078 119.173 121.223 0.046 0.000 2.766 210 L HA 0.261 4.601 4.340 -0.001 0.000 0.242 210 L C 1.460 178.237 176.870 -0.155 0.000 1.136 210 L CA 0.466 55.334 54.840 0.047 0.000 0.933 210 L CB 0.081 42.142 42.059 0.003 0.000 1.241 210 L HN 0.527 nan 8.230 nan 0.000 0.522 211 G N 1.543 110.077 108.800 -0.443 0.000 2.176 211 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.252 211 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.252 211 G C -0.034 174.668 174.900 -0.330 0.000 1.024 211 G CA 0.161 44.776 45.100 -0.808 0.000 0.755 211 G HN 0.244 nan 8.290 nan 0.000 0.507 212 L N -0.143 120.969 121.223 -0.185 0.000 2.344 212 L HA 0.827 5.167 4.340 -0.001 0.000 0.272 212 L C 1.057 177.876 176.870 -0.085 0.000 1.035 212 L CA -0.699 54.084 54.840 -0.095 0.000 0.807 212 L CB 1.539 43.570 42.059 -0.046 0.000 1.237 212 L HN 0.271 nan 8.230 nan 0.000 0.442 213 A N 0.600 123.373 122.820 -0.078 0.000 2.425 213 A HA 0.226 4.545 4.320 -0.001 0.000 0.242 213 A C 0.750 178.342 177.584 0.014 0.000 1.077 213 A CA -0.127 51.816 52.037 -0.157 0.000 0.781 213 A CB -0.050 18.691 19.000 -0.433 0.000 1.020 213 A HN 0.623 nan 8.150 nan 0.000 0.494 214 F N 0.893 120.664 119.950 -0.298 0.000 2.192 214 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 214 F C 2.300 178.065 175.800 -0.058 0.000 1.079 214 F CA 2.150 60.032 58.000 -0.198 0.000 1.303 214 F CB -1.066 37.818 39.000 -0.192 0.000 1.024 214 F HN 0.896 nan 8.300 nan 0.000 0.494 215 H N -2.526 116.604 119.070 0.101 0.000 2.563 215 H HA 0.025 4.581 4.556 -0.001 0.000 0.272 215 H C 0.614 175.942 175.328 0.000 0.000 1.005 215 H CA 0.613 56.681 56.048 0.033 0.000 1.171 215 H CB -0.213 29.557 29.762 0.013 0.000 1.351 215 H HN 0.158 nan 8.280 nan 0.000 0.602 216 D N 1.331 121.910 120.400 0.298 0.000 2.369 216 D HA 0.137 4.777 4.640 -0.001 0.000 0.211 216 D C -0.379 175.936 176.300 0.025 0.000 1.077 216 D CA 0.114 54.191 54.000 0.127 0.000 0.842 216 D CB 1.197 42.075 40.800 0.130 0.000 0.947 216 D HN 0.168 nan 8.370 nan 0.000 0.509 217 V N 1.288 121.203 119.914 0.002 0.000 2.483 217 V HA 0.367 4.486 4.120 -0.001 0.000 0.297 217 V C -0.028 176.024 176.094 -0.071 0.000 1.027 217 V CA -0.867 61.395 62.300 -0.064 0.000 0.855 217 V CB 2.810 34.558 31.823 -0.124 0.000 0.995 217 V HN -0.117 nan 8.190 nan 0.000 0.424 218 R N 3.433 123.883 120.500 -0.084 0.000 2.534 218 R HA 0.783 5.123 4.340 -0.001 0.000 0.301 218 R C -1.872 174.354 176.300 -0.123 0.000 0.961 218 R CA -0.395 55.653 56.100 -0.086 0.000 0.871 218 R CB 2.154 32.409 30.300 -0.076 0.000 1.170 218 R HN 0.530 nan 8.270 nan 0.000 0.446 219 V N 3.949 123.801 119.914 -0.104 0.000 2.409 219 V HA 0.366 4.486 4.120 -0.001 0.000 0.291 219 V C -0.398 175.646 176.094 -0.083 0.000 1.020 219 V CA -0.766 61.466 62.300 -0.113 0.000 0.848 219 V CB 1.662 33.434 31.823 -0.084 0.000 0.990 219 V HN 0.761 nan 8.190 nan 0.000 0.430 220 E N 4.193 124.330 120.200 -0.105 0.000 2.166 220 E HA 0.699 5.048 4.350 -0.001 0.000 0.275 220 E C -0.809 175.835 176.600 0.074 0.000 0.941 220 E CA -0.779 55.622 56.400 0.002 0.000 0.784 220 E CB 2.134 31.875 29.700 0.068 0.000 1.115 220 E HN 0.589 nan 8.360 nan 0.000 0.399 221 M N 3.415 123.051 119.600 0.059 0.000 2.164 221 M HA 0.295 4.775 4.480 -0.001 0.000 0.260 221 M C -0.660 175.672 176.300 0.052 0.000 0.974 221 M CA -0.357 54.976 55.300 0.055 0.000 1.020 221 M CB 1.348 33.968 32.600 0.032 0.000 1.903 221 M HN 0.335 nan 8.290 nan 0.000 0.469 222 R N 3.369 123.898 120.500 0.048 0.000 2.087 222 R HA 0.454 4.793 4.340 -0.001 0.000 0.216 222 R C -0.311 176.039 176.300 0.082 0.000 1.114 222 R CA 1.702 57.828 56.100 0.044 0.000 1.002 222 R CB 0.516 30.811 30.300 -0.010 0.000 0.903 222 R HN 0.756 nan 8.270 nan 0.000 0.445 223 R N -1.314 119.214 120.500 0.047 0.000 2.663 223 R HA 0.404 4.743 4.340 -0.001 0.000 0.267 223 R C -1.368 175.006 176.300 0.123 0.000 1.038 223 R CA -0.743 55.403 56.100 0.077 0.000 0.886 223 R CB 0.982 31.317 30.300 0.058 0.000 1.249 223 R HN -0.016 nan 8.270 nan 0.000 0.463 224 M N 1.225 120.902 119.600 0.128 0.000 2.294 224 M HA 0.360 4.840 4.480 -0.001 0.000 0.335 224 M C 0.568 176.952 176.300 0.139 0.000 1.079 224 M CA -0.628 54.734 55.300 0.103 0.000 0.982 224 M CB 2.312 34.889 32.600 -0.039 0.000 1.651 224 M HN 0.977 nan 8.290 nan 0.000 0.437 225 G N 2.432 111.251 108.800 0.032 0.000 3.090 225 G HA2 0.445 4.405 3.960 -0.001 0.000 0.259 225 G HA3 0.445 4.405 3.960 -0.001 0.000 0.259 225 G C 0.468 175.316 174.900 -0.086 0.000 0.797 225 G CA 0.393 45.369 45.100 -0.207 0.000 2.032 225 G HN 1.098 nan 8.290 nan 0.000 0.614 226 G N -1.160 107.589 108.800 -0.085 0.000 2.721 226 G HA2 0.336 4.295 3.960 -0.001 0.000 0.686 226 G HA3 0.336 4.295 3.960 -0.001 0.000 0.686 226 G C 0.602 175.406 174.900 -0.160 0.000 1.236 226 G CA -0.288 44.716 45.100 -0.160 0.000 0.786 226 G HN 1.295 nan 8.290 nan 0.000 0.616 227 G N -0.877 107.704 108.800 -0.365 0.000 2.501 227 G HA2 0.528 4.488 3.960 -0.001 0.000 0.211 227 G HA3 0.528 4.488 3.960 -0.001 0.000 0.211 227 G C 0.819 175.745 174.900 0.043 0.000 1.409 227 G CA 0.818 45.822 45.100 -0.161 0.000 0.531 227 G HN 1.741 nan 8.290 nan 0.000 1.086 228 F N 0.583 120.546 119.950 0.022 0.000 3.006 228 F HA -0.193 4.334 4.527 -0.001 0.000 0.289 228 F C 1.991 177.805 175.800 0.023 0.000 0.772 228 F CA 1.229 59.263 58.000 0.058 0.000 1.162 228 F CB -1.468 37.607 39.000 0.124 0.000 1.382 228 F HN 1.214 nan 8.300 nan 0.000 0.406 229 G N -1.134 107.706 108.800 0.067 0.000 2.254 229 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.225 229 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.225 229 G C 1.101 175.951 174.900 -0.084 0.000 1.003 229 G CA 0.045 45.197 45.100 0.087 0.000 0.622 229 G HN 1.239 nan 8.290 nan 0.000 0.507 230 G N 0.061 108.560 108.800 -0.502 0.000 2.848 230 G HA2 0.284 4.243 3.960 -0.001 0.000 0.208 230 G HA3 0.284 4.243 3.960 -0.001 0.000 0.208 230 G C 1.060 175.757 174.900 -0.337 0.000 1.152 230 G CA 1.193 45.728 45.100 -0.942 0.000 0.789 230 G HN 0.503 nan 8.290 nan 0.000 0.531 231 K N -0.212 120.055 120.400 -0.223 0.000 2.537 231 K HA 0.172 4.491 4.320 -0.001 0.000 0.206 231 K C 1.210 177.778 176.600 -0.053 0.000 1.041 231 K CA -0.118 56.069 56.287 -0.168 0.000 1.090 231 K CB 0.804 33.158 32.500 -0.243 0.000 0.833 231 K HN 0.320 nan 8.250 nan 0.000 0.493 232 E N 0.952 121.150 120.200 -0.004 0.000 2.158 232 E HA -0.106 4.244 4.350 -0.001 0.000 0.191 232 E C 1.412 178.079 176.600 0.113 0.000 0.982 232 E CA 1.544 57.993 56.400 0.082 0.000 0.823 232 E CB 0.408 30.186 29.700 0.129 0.000 0.766 232 E HN 0.221 nan 8.360 nan 0.000 0.468 233 S N -1.438 114.311 115.700 0.082 0.000 2.784 233 S HA 0.060 4.530 4.470 -0.001 0.000 0.266 233 S C 1.202 175.869 174.600 0.111 0.000 1.079 233 S CA -0.596 57.657 58.200 0.088 0.000 0.989 233 S CB 0.044 63.302 63.200 0.096 0.000 0.926 233 S HN 0.036 nan 8.310 nan 0.000 0.497 234 Q N 1.837 121.694 119.800 0.096 0.000 2.518 234 Q HA 0.260 4.599 4.340 -0.001 0.000 0.217 234 Q C 1.371 177.460 176.000 0.148 0.000 0.974 234 Q CA 0.852 56.740 55.803 0.142 0.000 0.971 234 Q CB -0.599 28.200 28.738 0.101 0.000 0.988 234 Q HN 0.749 nan 8.270 nan 0.000 0.536 235 G N 0.381 109.243 108.800 0.103 0.000 2.709 235 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.208 235 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.208 235 G C 1.234 176.192 174.900 0.098 0.000 1.129 235 G CA -0.118 45.015 45.100 0.055 0.000 0.793 235 G HN 0.380 nan 8.290 nan 0.000 0.524 236 N N 0.426 119.195 118.700 0.115 0.000 2.060 236 N HA -0.218 4.522 4.740 -0.001 0.000 0.195 236 N C 1.869 177.423 175.510 0.073 0.000 1.028 236 N CA 1.490 54.569 53.050 0.047 0.000 0.861 236 N CB -0.240 38.233 38.487 -0.023 0.000 1.029 236 N HN 0.376 nan 8.380 nan 0.000 0.428 237 H N 0.349 119.508 119.070 0.149 0.000 2.319 237 H HA -0.070 4.485 4.556 -0.001 0.000 0.299 237 H C 2.015 177.521 175.328 0.298 0.000 1.092 237 H CA 1.147 57.353 56.048 0.264 0.000 1.302 237 H CB -0.316 29.660 29.762 0.358 0.000 1.373 237 H HN 0.126 nan 8.280 nan 0.000 0.497 238 L N -0.064 121.329 121.223 0.283 0.000 2.056 238 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 238 L C 2.674 179.543 176.870 -0.002 0.000 1.078 238 L CA 1.454 56.321 54.840 0.046 0.000 0.749 238 L CB -0.698 41.264 42.059 -0.162 0.000 0.901 238 L HN 0.314 nan 8.230 nan 0.000 0.433 239 A N -0.159 122.664 122.820 0.005 0.000 1.898 239 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 239 A C 2.326 179.896 177.584 -0.022 0.000 1.181 239 A CA 1.551 53.572 52.037 -0.027 0.000 0.620 239 A CB -0.742 18.236 19.000 -0.036 0.000 0.819 239 A HN 0.338 nan 8.150 nan 0.000 0.442 240 I N -0.159 120.417 120.570 0.010 0.000 2.179 240 I HA -0.295 3.875 4.170 -0.001 0.000 0.242 240 I C 2.991 179.112 176.117 0.008 0.000 1.088 240 I CA 1.116 62.423 61.300 0.012 0.000 1.357 240 I CB -0.326 37.688 38.000 0.023 0.000 1.051 240 I HN 0.353 nan 8.210 nan 0.000 0.409 241 A N -0.292 122.561 122.820 0.055 0.000 1.908 241 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 241 A C 2.451 179.961 177.584 -0.124 0.000 1.181 241 A CA 2.027 54.059 52.037 -0.008 0.000 0.627 241 A CB -1.287 17.702 19.000 -0.017 0.000 0.818 241 A HN 0.552 nan 8.150 nan 0.000 0.445 242 C N -1.413 117.827 119.300 -0.100 0.000 2.453 242 C HA 0.119 4.579 4.460 -0.001 0.000 0.277 242 C C 3.373 178.301 174.990 -0.104 0.000 1.262 242 C CA 0.809 59.762 59.018 -0.109 0.000 1.718 242 C CB -1.233 26.453 27.740 -0.089 0.000 2.031 242 C HN 0.709 nan 8.230 nan 0.000 0.480 243 A N 0.048 122.818 122.820 -0.084 0.000 1.877 243 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 243 A C 2.278 179.815 177.584 -0.079 0.000 1.186 243 A CA 2.179 54.174 52.037 -0.070 0.000 0.620 243 A CB -0.861 18.106 19.000 -0.056 0.000 0.822 243 A HN 0.354 nan 8.150 nan 0.000 0.443 244 V N -0.102 119.748 119.914 -0.106 0.000 2.287 244 V HA -0.281 3.839 4.120 -0.001 0.000 0.248 244 V C 3.080 179.010 176.094 -0.273 0.000 1.053 244 V CA 2.119 64.330 62.300 -0.148 0.000 1.027 244 V CB -1.251 30.476 31.823 -0.160 0.000 0.646 244 V HN 0.630 nan 8.190 nan 0.000 0.447 245 A N -0.201 122.373 122.820 -0.409 0.000 1.902 245 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 245 A C 2.432 179.964 177.584 -0.086 0.000 1.181 245 A CA 2.136 53.920 52.037 -0.421 0.000 0.623 245 A CB -0.832 17.966 19.000 -0.336 0.000 0.818 245 A HN 0.585 nan 8.150 nan 0.000 0.443 246 A N -0.194 122.581 122.820 -0.075 0.000 1.883 246 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 246 A C 2.246 179.834 177.584 0.007 0.000 1.186 246 A CA 1.915 53.938 52.037 -0.023 0.000 0.624 246 A CB -0.589 18.388 19.000 -0.037 0.000 0.822 246 A HN 0.575 nan 8.150 nan 0.000 0.444 247 R N -0.455 120.045 120.500 -0.000 0.000 2.094 247 R HA -0.194 4.145 4.340 -0.001 0.000 0.239 247 R C 2.263 178.605 176.300 0.070 0.000 1.137 247 R CA 1.904 58.023 56.100 0.032 0.000 0.943 247 R CB -0.425 29.897 30.300 0.036 0.000 0.850 247 R HN 0.464 nan 8.270 nan 0.000 0.433 248 A N -0.252 122.636 122.820 0.113 0.000 1.874 248 A HA -0.102 4.217 4.320 -0.001 0.000 0.214 248 A C 2.214 179.896 177.584 0.165 0.000 1.189 248 A CA 1.731 53.883 52.037 0.192 0.000 0.615 248 A CB -0.811 18.433 19.000 0.407 0.000 0.830 248 A HN 0.648 nan 8.150 nan 0.000 0.443 249 T N -3.936 110.721 114.554 0.171 0.000 2.951 249 T HA 0.303 4.652 4.350 -0.001 0.000 0.268 249 T C 1.655 176.400 174.700 0.075 0.000 1.073 249 T CA 1.408 63.585 62.100 0.128 0.000 1.134 249 T CB -0.358 68.589 68.868 0.131 0.000 0.884 249 T HN 1.711 nan 8.240 nan 0.000 0.479 250 G N 1.455 110.291 108.800 0.061 0.000 2.176 250 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.253 250 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.253 250 G C 0.256 175.173 174.900 0.028 0.000 0.979 250 G CA 0.071 45.195 45.100 0.039 0.000 0.641 250 G HN 0.687 nan 8.290 nan 0.000 0.530 251 R N 0.361 120.879 120.500 0.030 0.000 2.758 251 R HA 0.513 4.853 4.340 -0.001 0.000 0.265 251 R C -2.764 173.535 176.300 -0.001 0.000 1.016 251 R CA -1.929 54.181 56.100 0.016 0.000 1.040 251 R CB 1.104 31.418 30.300 0.023 0.000 1.152 251 R HN 0.034 nan 8.270 nan 0.000 0.503 252 P HA 0.141 nan 4.420 nan 0.000 0.276 252 P C -0.807 176.454 177.300 -0.065 0.000 1.230 252 P CA -0.248 62.833 63.100 -0.032 0.000 0.776 252 P CB 0.570 32.254 31.700 -0.027 0.000 0.888 253 C N 4.107 123.362 119.300 -0.076 0.000 2.369 253 C HA 0.495 4.955 4.460 -0.001 0.000 0.322 253 C C 0.265 175.177 174.990 -0.131 0.000 1.258 253 C CA -0.430 58.521 59.018 -0.112 0.000 1.487 253 C CB 0.681 28.369 27.740 -0.086 0.000 2.165 253 C HN 0.517 nan 8.230 nan 0.000 0.483 254 K N 3.269 123.546 120.400 -0.205 0.000 2.207 254 K HA 0.770 5.090 4.320 -0.001 0.000 0.255 254 K C -1.179 175.370 176.600 -0.086 0.000 0.941 254 K CA -0.417 55.781 56.287 -0.150 0.000 0.825 254 K CB 1.441 33.837 32.500 -0.174 0.000 1.119 254 K HN 0.831 nan 8.250 nan 0.000 0.430 255 M N 4.313 123.874 119.600 -0.066 0.000 2.326 255 M HA 0.397 4.877 4.480 -0.001 0.000 0.292 255 M C -1.783 174.464 176.300 -0.088 0.000 1.081 255 M CA -0.644 54.621 55.300 -0.058 0.000 0.919 255 M CB 1.799 34.305 32.600 -0.157 0.000 1.634 255 M HN 0.692 nan 8.290 nan 0.000 0.451 256 R N 3.136 123.631 120.500 -0.009 0.000 2.651 256 R HA 0.456 4.796 4.340 -0.001 0.000 0.278 256 R C -1.986 174.404 176.300 0.150 0.000 1.010 256 R CA -0.823 55.249 56.100 -0.048 0.000 0.896 256 R CB 1.140 31.401 30.300 -0.065 0.000 1.211 256 R HN 0.623 nan 8.270 nan 0.000 0.456 257 Y N 1.338 121.712 120.300 0.124 0.000 2.436 257 Y HA 0.025 4.575 4.550 -0.001 0.000 0.343 257 Y C 0.601 176.599 175.900 0.164 0.000 1.008 257 Y CA -0.679 57.515 58.100 0.156 0.000 1.241 257 Y CB 0.895 39.446 38.460 0.151 0.000 1.153 257 Y HN 0.706 nan 8.280 nan 0.000 0.521 258 D N 2.480 123.104 120.400 0.373 0.000 2.472 258 D HA -0.072 4.568 4.640 -0.001 0.000 0.237 258 D C 1.357 177.784 176.300 0.212 0.000 1.141 258 D CA -0.041 54.118 54.000 0.266 0.000 0.875 258 D CB 0.973 41.910 40.800 0.229 0.000 1.192 258 D HN 0.445 nan 8.370 nan 0.000 0.450 259 R N 1.999 122.601 120.500 0.169 0.000 2.113 259 R HA -0.186 4.153 4.340 -0.001 0.000 0.244 259 R C 1.186 177.579 176.300 0.154 0.000 1.142 259 R CA 2.023 58.216 56.100 0.155 0.000 0.953 259 R CB -0.427 29.955 30.300 0.137 0.000 0.860 259 R HN 0.601 nan 8.270 nan 0.000 0.438 260 D N 0.040 120.534 120.400 0.157 0.000 2.104 260 D HA -0.145 4.495 4.640 -0.001 0.000 0.194 260 D C 1.406 177.773 176.300 0.112 0.000 0.994 260 D CA 1.414 55.533 54.000 0.200 0.000 0.830 260 D CB -0.374 40.562 40.800 0.227 0.000 0.959 260 D HN 0.247 nan 8.370 nan 0.000 0.452 261 D N 0.633 121.067 120.400 0.057 0.000 2.092 261 D HA -0.160 4.479 4.640 -0.001 0.000 0.193 261 D C 1.698 177.898 176.300 -0.166 0.000 0.994 261 D CA 0.809 54.772 54.000 -0.061 0.000 0.828 261 D CB -0.434 40.339 40.800 -0.045 0.000 0.963 261 D HN 0.226 nan 8.370 nan 0.000 0.450 262 D N 0.099 120.465 120.400 -0.057 0.000 2.133 262 D HA -0.167 4.473 4.640 -0.001 0.000 0.192 262 D C 2.137 178.455 176.300 0.030 0.000 1.001 262 D CA 1.048 55.062 54.000 0.023 0.000 0.844 262 D CB 0.003 40.971 40.800 0.280 0.000 0.944 262 D HN 0.193 nan 8.370 nan 0.000 0.447 263 M N -0.037 119.596 119.600 0.055 0.000 2.175 263 M HA -0.122 4.358 4.480 -0.001 0.000 0.264 263 M C 2.434 178.758 176.300 0.042 0.000 1.063 263 M CA 0.692 56.018 55.300 0.044 0.000 1.119 263 M CB -0.152 32.489 32.600 0.068 0.000 1.377 263 M HN -0.046 nan 8.290 nan 0.000 0.415 264 V N 0.652 120.582 119.914 0.025 0.000 2.323 264 V HA -0.211 3.909 4.120 -0.001 0.000 0.244 264 V C 2.211 178.369 176.094 0.107 0.000 1.041 264 V CA 1.520 63.840 62.300 0.034 0.000 1.025 264 V CB -0.439 31.346 31.823 -0.064 0.000 0.656 264 V HN 0.352 nan 8.190 nan 0.000 0.451 265 I N 0.378 120.946 120.570 -0.003 0.000 2.110 265 I HA -0.101 4.069 4.170 -0.001 0.000 0.236 265 I C 1.641 177.792 176.117 0.056 0.000 1.068 265 I CA 1.315 62.628 61.300 0.022 0.000 1.333 265 I CB -0.636 37.202 38.000 -0.269 0.000 1.054 265 I HN 0.441 nan 8.210 nan 0.000 0.402 266 T N 0.052 114.621 114.554 0.025 0.000 2.856 266 T HA 0.348 4.698 4.350 -0.001 0.000 0.306 266 T C 0.474 175.221 174.700 0.078 0.000 1.062 266 T CA -0.373 61.779 62.100 0.086 0.000 1.083 266 T CB 0.929 69.911 68.868 0.190 0.000 0.984 266 T HN 0.301 nan 8.240 nan 0.000 0.542 267 G N 1.075 109.923 108.800 0.079 0.000 2.621 267 G HA2 0.560 4.520 3.960 -0.001 0.000 0.271 267 G HA3 0.560 4.520 3.960 -0.001 0.000 0.271 267 G C -0.572 174.412 174.900 0.139 0.000 1.236 267 G CA -0.817 44.324 45.100 0.068 0.000 0.958 267 G HN 0.823 nan 8.290 nan 0.000 0.512 268 K N -1.551 118.901 120.400 0.088 0.000 2.213 268 K HA 0.463 4.783 4.320 -0.001 0.000 0.254 268 K C -0.072 176.554 176.600 0.043 0.000 1.062 268 K CA -0.922 55.403 56.287 0.064 0.000 0.884 268 K CB 1.015 33.552 32.500 0.061 0.000 1.437 268 K HN 0.432 nan 8.250 nan 0.000 0.464 269 R N 1.146 121.697 120.500 0.086 0.000 2.489 269 R HA 0.066 4.405 4.340 -0.001 0.000 0.287 269 R C -0.743 175.611 176.300 0.089 0.000 1.053 269 R CA -0.035 56.111 56.100 0.077 0.000 1.036 269 R CB 0.029 30.271 30.300 -0.097 0.000 0.966 269 R HN 0.514 nan 8.270 nan 0.000 0.432 270 H N 3.038 122.183 119.070 0.124 0.000 3.184 270 H HA -0.047 4.509 4.556 -0.001 0.000 0.274 270 H C -0.264 175.260 175.328 0.327 0.000 0.962 270 H CA 0.659 56.812 56.048 0.175 0.000 1.441 270 H CB 0.086 29.954 29.762 0.177 0.000 1.518 270 H HN 0.508 nan 8.280 nan 0.000 0.539 271 D N 3.660 124.264 120.400 0.339 0.000 2.345 271 D HA 0.120 4.760 4.640 -0.001 0.000 0.247 271 D C -0.149 176.340 176.300 0.315 0.000 1.108 271 D CA -0.127 54.093 54.000 0.367 0.000 0.894 271 D CB 1.077 42.044 40.800 0.279 0.000 1.203 271 D HN 0.287 nan 8.370 nan 0.000 0.430 272 F N -0.202 119.786 119.950 0.063 0.000 2.579 272 F HA 0.416 4.942 4.527 -0.001 0.000 0.324 272 F C 0.738 176.504 175.800 -0.056 0.000 1.058 272 F CA -1.230 56.770 58.000 -0.001 0.000 0.944 272 F CB 2.539 41.509 39.000 -0.051 0.000 1.245 272 F HN 0.089 nan 8.300 nan 0.000 0.477 273 R N 3.297 123.857 120.500 0.100 0.000 2.439 273 R HA 0.631 4.970 4.340 -0.001 0.000 0.310 273 R C -1.785 174.581 176.300 0.110 0.000 0.955 273 R CA -0.426 55.693 56.100 0.031 0.000 0.853 273 R CB 1.088 31.399 30.300 0.020 0.000 1.171 273 R HN 0.694 nan 8.270 nan 0.000 0.449 274 I N 3.954 124.561 120.570 0.061 0.000 2.378 274 I HA 0.416 4.586 4.170 -0.001 0.000 0.291 274 I C 0.021 176.319 176.117 0.302 0.000 0.992 274 I CA -0.830 60.633 61.300 0.270 0.000 1.154 274 I CB 1.922 40.128 38.000 0.343 0.000 1.315 274 I HN 0.425 nan 8.210 nan 0.000 0.448 275 R N 6.170 126.832 120.500 0.269 0.000 2.346 275 R HA 0.511 4.851 4.340 -0.001 0.000 0.311 275 R C -1.674 174.745 176.300 0.198 0.000 0.983 275 R CA -0.503 55.678 56.100 0.134 0.000 0.880 275 R CB 1.143 31.468 30.300 0.040 0.000 1.100 275 R HN 0.591 nan 8.270 nan 0.000 0.453 276 Y N 0.378 120.720 120.300 0.069 0.000 2.477 276 Y HA 0.606 5.155 4.550 -0.001 0.000 0.347 276 Y C -1.108 174.670 175.900 -0.203 0.000 0.981 276 Y CA -1.312 56.723 58.100 -0.109 0.000 1.033 276 Y CB 1.527 39.978 38.460 -0.015 0.000 1.245 276 Y HN 0.383 nan 8.280 nan 0.000 0.455 277 R N 4.192 124.606 120.500 -0.143 0.000 2.473 277 R HA 0.597 4.937 4.340 -0.001 0.000 0.303 277 R C -1.748 174.446 176.300 -0.176 0.000 1.002 277 R CA -0.646 55.367 56.100 -0.145 0.000 0.884 277 R CB 2.274 32.484 30.300 -0.150 0.000 1.173 277 R HN 0.945 nan 8.270 nan 0.000 0.464 278 I N 1.265 121.767 120.570 -0.113 0.000 2.509 278 I HA 0.651 4.820 4.170 -0.001 0.000 0.293 278 I C -0.555 175.506 176.117 -0.092 0.000 1.020 278 I CA -0.491 60.728 61.300 -0.134 0.000 1.088 278 I CB 1.937 39.856 38.000 -0.134 0.000 1.267 278 I HN 0.695 nan 8.210 nan 0.000 0.430 279 G N 5.348 114.097 108.800 -0.085 0.000 2.566 279 G HA2 0.774 4.734 3.960 -0.001 0.000 0.311 279 G HA3 0.774 4.734 3.960 -0.001 0.000 0.311 279 G C -1.184 173.694 174.900 -0.036 0.000 1.322 279 G CA -0.294 44.776 45.100 -0.050 0.000 0.969 279 G HN 0.866 nan 8.290 nan 0.000 0.490 280 A N 1.187 124.009 122.820 0.004 0.000 2.616 280 A HA 0.893 5.212 4.320 -0.001 0.000 0.253 280 A C -0.766 176.844 177.584 0.044 0.000 1.239 280 A CA -0.617 51.429 52.037 0.014 0.000 0.914 280 A CB 1.551 20.556 19.000 0.008 0.000 1.454 280 A HN 0.601 nan 8.150 nan 0.000 0.460 281 D N -2.312 118.122 120.400 0.055 0.000 2.477 281 D HA 0.537 5.177 4.640 -0.001 0.000 0.234 281 D C 0.996 177.354 176.300 0.096 0.000 1.048 281 D CA 0.151 54.184 54.000 0.055 0.000 0.959 281 D CB 2.354 43.172 40.800 0.031 0.000 1.408 281 D HN 0.440 nan 8.370 nan 0.000 0.496 282 A N 1.236 124.099 122.820 0.071 0.000 1.908 282 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 282 A C 2.056 179.674 177.584 0.057 0.000 1.181 282 A CA 2.646 54.728 52.037 0.075 0.000 0.627 282 A CB -0.761 18.261 19.000 0.037 0.000 0.818 282 A HN 0.606 nan 8.150 nan 0.000 0.445 283 S N -2.151 113.570 115.700 0.036 0.000 2.402 283 S HA 0.290 4.760 4.470 -0.001 0.000 0.229 283 S C 1.588 176.193 174.600 0.009 0.000 1.021 283 S CA 1.539 59.752 58.200 0.021 0.000 0.974 283 S CB -0.309 62.903 63.200 0.018 0.000 0.800 283 S HN 1.927 nan 8.310 nan 0.000 0.484 284 G N 0.322 109.128 108.800 0.011 0.000 2.229 284 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.189 284 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.189 284 G C -0.100 174.786 174.900 -0.024 0.000 1.000 284 G CA -0.336 44.752 45.100 -0.020 0.000 0.663 284 G HN 0.389 nan 8.290 nan 0.000 0.493 285 K N 1.022 121.421 120.400 -0.001 0.000 2.401 285 K HA 0.343 4.662 4.320 -0.001 0.000 0.278 285 K C 0.987 177.584 176.600 -0.006 0.000 1.018 285 K CA -0.206 56.085 56.287 0.007 0.000 0.981 285 K CB 0.979 33.501 32.500 0.036 0.000 0.933 285 K HN 0.347 nan 8.250 nan 0.000 0.477 286 L N 3.799 125.008 121.223 -0.023 0.000 2.456 286 L HA -0.028 4.312 4.340 -0.001 0.000 0.272 286 L C 1.716 178.559 176.870 -0.044 0.000 1.189 286 L CA 0.055 54.864 54.840 -0.052 0.000 0.846 286 L CB 0.178 42.187 42.059 -0.082 0.000 1.111 286 L HN 0.514 nan 8.230 nan 0.000 0.475 287 L N 1.739 122.932 121.223 -0.051 0.000 2.433 287 L HA 0.384 4.723 4.340 -0.001 0.000 0.200 287 L C 0.861 177.687 176.870 -0.072 0.000 1.059 287 L CA 0.329 55.141 54.840 -0.047 0.000 0.835 287 L CB 0.214 42.256 42.059 -0.029 0.000 1.076 287 L HN 0.736 nan 8.230 nan 0.000 0.481 288 G N -0.583 108.169 108.800 -0.080 0.000 2.720 288 G HA2 0.669 4.628 3.960 -0.001 0.000 0.295 288 G HA3 0.669 4.628 3.960 -0.001 0.000 0.295 288 G C -1.974 172.854 174.900 -0.120 0.000 1.437 288 G CA -0.004 45.042 45.100 -0.089 0.000 0.886 288 G HN 0.076 nan 8.290 nan 0.000 0.509 289 A N 0.750 123.489 122.820 -0.136 0.000 2.375 289 A HA 0.698 5.018 4.320 -0.001 0.000 0.295 289 A C -1.640 175.745 177.584 -0.332 0.000 1.066 289 A CA -0.532 51.338 52.037 -0.278 0.000 0.722 289 A CB 2.022 20.922 19.000 -0.167 0.000 1.206 289 A HN 0.563 nan 8.150 nan 0.000 0.435 290 D N 1.899 122.026 120.400 -0.455 0.000 2.440 290 D HA 0.626 5.266 4.640 -0.001 0.000 0.239 290 D C -1.295 174.763 176.300 -0.404 0.000 1.084 290 D CA 0.139 53.961 54.000 -0.298 0.000 0.843 290 D CB 0.338 41.042 40.800 -0.159 0.000 1.097 290 D HN 0.260 nan 8.370 nan 0.000 0.531 291 F N 2.317 122.248 119.950 -0.031 0.000 2.469 291 F HA 0.525 5.052 4.527 -0.001 0.000 0.332 291 F C 0.023 175.746 175.800 -0.129 0.000 1.103 291 F CA -1.024 56.932 58.000 -0.073 0.000 0.979 291 F CB 1.926 40.815 39.000 -0.185 0.000 1.137 291 F HN -0.021 nan 8.300 nan 0.000 0.463 292 V N 2.627 122.625 119.914 0.139 0.000 2.407 292 V HA 0.283 4.403 4.120 -0.001 0.000 0.291 292 V C -0.727 175.486 176.094 0.199 0.000 1.018 292 V CA -0.832 61.536 62.300 0.115 0.000 0.842 292 V CB 1.145 33.038 31.823 0.118 0.000 0.996 292 V HN 0.726 nan 8.190 nan 0.000 0.426 293 H N 5.318 124.530 119.070 0.236 0.000 2.594 293 H HA 0.545 5.101 4.556 -0.001 0.000 0.304 293 H C -0.616 174.777 175.328 0.108 0.000 1.068 293 H CA -0.639 55.546 56.048 0.229 0.000 1.308 293 H CB 1.231 31.165 29.762 0.286 0.000 1.409 293 H HN 0.462 nan 8.280 nan 0.000 0.460 294 L N 3.542 124.842 121.223 0.128 0.000 2.277 294 L HA 0.512 4.851 4.340 -0.001 0.000 0.284 294 L C -0.128 176.554 176.870 -0.314 0.000 1.028 294 L CA -0.690 54.119 54.840 -0.052 0.000 0.835 294 L CB 1.002 43.031 42.059 -0.049 0.000 1.215 294 L HN 0.596 nan 8.230 nan 0.000 0.425 295 A N 4.178 126.726 122.820 -0.453 0.000 2.303 295 A HA 0.530 4.850 4.320 -0.001 0.000 0.320 295 A C -0.289 177.135 177.584 -0.266 0.000 1.192 295 A CA -0.666 50.923 52.037 -0.746 0.000 0.821 295 A CB 1.036 19.395 19.000 -1.069 0.000 1.188 295 A HN 0.757 nan 8.150 nan 0.000 0.492 296 R N 2.759 123.166 120.500 -0.154 0.000 2.210 296 R HA 0.285 4.625 4.340 -0.001 0.000 0.338 296 R C -0.202 176.148 176.300 0.082 0.000 1.062 296 R CA -0.262 55.819 56.100 -0.033 0.000 0.902 296 R CB 0.182 30.456 30.300 -0.043 0.000 1.050 296 R HN 0.821 nan 8.270 nan 0.000 0.461 297 C N 3.143 122.525 119.300 0.137 0.000 2.611 297 C HA 0.352 4.812 4.460 -0.001 0.000 0.282 297 C C 1.209 176.246 174.990 0.078 0.000 1.321 297 C CA 0.490 59.642 59.018 0.224 0.000 1.747 297 C CB -0.813 27.111 27.740 0.308 0.000 2.124 297 C HN 1.108 nan 8.230 nan 0.000 0.531 298 G N 0.772 109.625 108.800 0.088 0.000 2.698 298 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.225 298 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.225 298 G C 0.353 175.391 174.900 0.230 0.000 1.345 298 G CA 0.073 45.225 45.100 0.086 0.000 0.871 298 G HN 0.599 nan 8.290 nan 0.000 0.540 299 W N 0.178 121.485 121.300 0.012 0.000 2.402 299 W HA 0.284 4.944 4.660 -0.000 0.000 0.286 299 W C 0.912 177.566 176.519 0.224 0.000 1.221 299 W CA 1.492 58.903 57.345 0.111 0.000 1.257 299 W CB -1.174 28.366 29.460 0.134 0.000 1.120 299 W HN 1.277 nan 8.180 nan 0.000 0.551 300 S N -0.114 115.129 115.700 -0.762 0.000 2.664 300 S HA 0.642 5.111 4.470 -0.001 0.000 0.304 300 S C 1.008 175.203 174.600 -0.675 0.000 1.099 300 S CA 0.036 57.758 58.200 -0.796 0.000 1.003 300 S CB 1.942 64.361 63.200 -1.301 0.000 1.092 300 S HN 0.194 nan 8.310 nan 0.000 0.525 301 A N 1.917 124.212 122.820 -0.875 0.000 1.855 301 A HA 0.073 4.392 4.320 -0.001 0.000 0.215 301 A C 1.343 178.640 177.584 -0.479 0.000 1.191 301 A CA 1.798 53.231 52.037 -1.006 0.000 0.613 301 A CB -1.390 17.145 19.000 -0.776 0.000 0.829 301 A HN 1.134 nan 8.150 nan 0.000 0.442 302 D N -1.604 118.600 120.400 -0.327 0.000 3.927 302 D HA -0.241 4.399 4.640 -0.001 0.000 0.142 302 D C 0.234 176.490 176.300 -0.072 0.000 0.830 302 D CA 2.179 56.089 54.000 -0.149 0.000 1.091 302 D CB -1.204 39.538 40.800 -0.096 0.000 0.495 302 D HN 0.289 nan 8.370 nan 0.000 0.489 303 L N 1.073 122.302 121.223 0.010 0.000 3.110 303 L HA 0.222 4.562 4.340 -0.001 0.000 0.266 303 L C 1.828 178.672 176.870 -0.044 0.000 1.257 303 L CA -0.221 54.660 54.840 0.068 0.000 1.038 303 L CB 0.694 42.890 42.059 0.228 0.000 1.395 303 L HN 0.061 nan 8.230 nan 0.000 0.566 304 S N 0.374 116.012 115.700 -0.102 0.000 2.368 304 S HA -0.169 4.301 4.470 -0.001 0.000 0.224 304 S C 1.869 176.340 174.600 -0.214 0.000 1.029 304 S CA 1.274 59.325 58.200 -0.249 0.000 0.988 304 S CB -0.068 63.042 63.200 -0.150 0.000 0.838 304 S HN 0.502 nan 8.310 nan 0.000 0.462 305 L N 2.617 123.772 121.223 -0.113 0.000 1.990 305 L HA -0.083 4.257 4.340 -0.001 0.000 0.213 305 L C -0.874 176.023 176.870 0.045 0.000 1.072 305 L CA 1.653 56.475 54.840 -0.030 0.000 0.755 305 L CB -1.047 41.009 42.059 -0.006 0.000 0.889 305 L HN 0.228 nan 8.230 nan 0.000 0.432 306 P HA -0.070 nan 4.420 nan 0.000 0.222 306 P C 1.959 179.402 177.300 0.238 0.000 1.153 306 P CA 0.995 64.276 63.100 0.301 0.000 0.798 306 P CB 0.079 32.084 31.700 0.508 0.000 0.796 307 V N 0.808 120.609 119.914 -0.187 0.000 2.255 307 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 307 V C 2.788 178.782 176.094 -0.167 0.000 1.051 307 V CA 2.376 64.353 62.300 -0.537 0.000 1.018 307 V CB -1.490 29.838 31.823 -0.824 0.000 0.641 307 V HN 0.175 nan 8.190 nan 0.000 0.445 308 C N -0.306 118.919 119.300 -0.124 0.000 2.432 308 C HA -0.098 4.362 4.460 -0.001 0.000 0.280 308 C C 2.440 177.460 174.990 0.050 0.000 1.353 308 C CA 0.341 59.374 59.018 0.025 0.000 1.766 308 C CB -1.144 26.582 27.740 -0.024 0.000 1.924 308 C HN 0.590 nan 8.230 nan 0.000 0.509 309 D N 0.564 121.016 120.400 0.086 0.000 2.123 309 D HA -0.142 4.497 4.640 -0.001 0.000 0.196 309 D C 2.327 178.768 176.300 0.235 0.000 0.992 309 D CA 1.109 55.222 54.000 0.189 0.000 0.833 309 D CB -0.422 40.590 40.800 0.354 0.000 0.954 309 D HN 0.499 nan 8.370 nan 0.000 0.455 310 R N 0.232 120.875 120.500 0.238 0.000 2.148 310 R HA 0.034 4.374 4.340 -0.001 0.000 0.223 310 R C 2.020 178.479 176.300 0.266 0.000 1.088 310 R CA 1.011 57.284 56.100 0.288 0.000 0.985 310 R CB 0.011 30.531 30.300 0.366 0.000 0.880 310 R HN 0.082 nan 8.270 nan 0.000 0.451 311 A N 1.097 123.988 122.820 0.118 0.000 1.858 311 A HA -0.188 4.132 4.320 -0.001 0.000 0.216 311 A C 2.179 179.839 177.584 0.127 0.000 1.190 311 A CA 1.603 53.633 52.037 -0.013 0.000 0.617 311 A CB -0.467 18.416 19.000 -0.194 0.000 0.827 311 A HN 0.323 nan 8.150 nan 0.000 0.443 312 M N -1.081 118.620 119.600 0.169 0.000 2.080 312 M HA -0.157 4.323 4.480 -0.001 0.000 0.260 312 M C 2.008 178.573 176.300 0.442 0.000 1.068 312 M CA 1.211 56.626 55.300 0.192 0.000 1.109 312 M CB -0.558 31.860 32.600 -0.303 0.000 1.342 312 M HN 0.299 nan 8.290 nan 0.000 0.405 313 L N -0.396 121.085 121.223 0.430 0.000 2.129 313 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 313 L C 1.754 178.818 176.870 0.323 0.000 1.087 313 L CA 2.060 57.099 54.840 0.332 0.000 0.757 313 L CB -1.225 40.809 42.059 -0.043 0.000 0.896 313 L HN 0.358 nan 8.230 nan 0.000 0.434 314 H N -2.310 116.952 119.070 0.319 0.000 2.520 314 H HA 0.343 4.898 4.556 -0.001 0.000 0.284 314 H C 1.793 177.227 175.328 0.177 0.000 1.037 314 H CA 0.510 56.698 56.048 0.233 0.000 1.168 314 H CB 0.247 30.053 29.762 0.074 0.000 1.497 314 H HN 0.221 nan 8.280 nan 0.000 0.547 315 A N 0.860 123.806 122.820 0.211 0.000 2.172 315 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 315 A C 1.750 179.301 177.584 -0.056 0.000 1.154 315 A CA 1.453 53.423 52.037 -0.113 0.000 0.701 315 A CB -0.126 18.705 19.000 -0.280 0.000 0.789 315 A HN 0.549 nan 8.150 nan 0.000 0.465 316 D N -1.059 119.468 120.400 0.212 0.000 2.277 316 D HA 0.213 4.852 4.640 -0.001 0.000 0.208 316 D C 1.283 177.822 176.300 0.399 0.000 0.962 316 D CA 1.091 55.292 54.000 0.336 0.000 0.865 316 D CB -0.820 40.293 40.800 0.521 0.000 0.939 316 D HN 0.674 nan 8.370 nan 0.000 0.510 317 G N 0.556 109.559 108.800 0.338 0.000 2.574 317 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.286 317 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.286 317 G C 0.433 175.420 174.900 0.146 0.000 1.212 317 G CA 0.654 45.937 45.100 0.306 0.000 0.979 317 G HN 0.369 nan 8.290 nan 0.000 0.557 318 S N 0.908 116.422 115.700 -0.310 0.000 2.618 318 S HA 0.501 4.971 4.470 -0.001 0.000 0.242 318 S C -0.668 173.724 174.600 -0.347 0.000 0.972 318 S CA 0.251 58.257 58.200 -0.323 0.000 1.004 318 S CB -0.164 62.829 63.200 -0.346 0.000 0.778 318 S HN 0.470 nan 8.310 nan 0.000 0.459 319 Y N -0.051 120.401 120.300 0.254 0.000 2.442 319 Y HA 0.505 5.055 4.550 -0.001 0.000 0.344 319 Y C -0.495 175.149 175.900 -0.428 0.000 0.976 319 Y CA -1.733 56.339 58.100 -0.046 0.000 1.040 319 Y CB 0.805 39.282 38.460 0.028 0.000 1.228 319 Y HN 0.168 nan 8.280 nan 0.000 0.451 320 F N 3.871 123.429 119.950 -0.653 0.000 2.445 320 F HA 0.590 5.116 4.527 -0.001 0.000 0.359 320 F C -0.899 174.815 175.800 -0.144 0.000 1.101 320 F CA -0.760 56.897 58.000 -0.571 0.000 1.177 320 F CB 0.380 39.084 39.000 -0.492 0.000 1.110 320 F HN 0.199 nan 8.300 nan 0.000 0.522 321 V N 9.232 128.675 119.914 -0.784 0.000 2.407 321 V HA 0.249 4.368 4.120 -0.001 0.000 0.291 321 V C -1.751 173.847 176.094 -0.827 0.000 1.018 321 V CA -1.429 60.512 62.300 -0.597 0.000 0.842 321 V CB 1.437 33.144 31.823 -0.193 0.000 0.996 321 V HN 0.633 nan 8.190 nan 0.000 0.426 322 P HA -0.072 nan 4.420 nan 0.000 0.217 322 P C 0.316 177.508 177.300 -0.180 0.000 1.148 322 P CA 1.457 64.323 63.100 -0.390 0.000 0.828 322 P CB 0.353 31.985 31.700 -0.112 0.000 0.783 323 A N -1.058 121.677 122.820 -0.143 0.000 2.427 323 A HA 0.724 5.044 4.320 -0.001 0.000 0.298 323 A C -1.598 175.965 177.584 -0.034 0.000 1.036 323 A CA -0.491 51.515 52.037 -0.052 0.000 0.701 323 A CB 0.911 19.894 19.000 -0.028 0.000 1.250 323 A HN 0.078 nan 8.150 nan 0.000 0.412 324 L N 1.667 122.907 121.223 0.029 0.000 2.565 324 L HA 0.706 5.046 4.340 -0.001 0.000 0.261 324 L C -0.785 176.153 176.870 0.114 0.000 0.932 324 L CA -0.340 54.538 54.840 0.063 0.000 0.878 324 L CB 1.787 43.899 42.059 0.088 0.000 1.333 324 L HN 0.869 nan 8.230 nan 0.000 0.409 325 R N 4.883 125.442 120.500 0.098 0.000 2.575 325 R HA 0.753 5.093 4.340 -0.001 0.000 0.293 325 R C -1.826 174.547 176.300 0.122 0.000 0.983 325 R CA -0.544 55.629 56.100 0.121 0.000 0.887 325 R CB 1.625 31.970 30.300 0.076 0.000 1.184 325 R HN 0.634 nan 8.270 nan 0.000 0.445 326 I N 2.119 122.759 120.570 0.117 0.000 2.509 326 I HA 0.344 4.514 4.170 -0.001 0.000 0.293 326 I C -0.458 175.634 176.117 -0.042 0.000 1.020 326 I CA -0.609 60.699 61.300 0.013 0.000 1.088 326 I CB 2.152 40.110 38.000 -0.070 0.000 1.267 326 I HN 0.544 nan 8.210 nan 0.000 0.430 327 E N 4.241 124.406 120.200 -0.057 0.000 2.207 327 E HA 0.330 4.680 4.350 -0.001 0.000 0.250 327 E C -1.285 175.275 176.600 -0.066 0.000 0.890 327 E CA -0.281 56.081 56.400 -0.064 0.000 0.749 327 E CB 1.380 31.099 29.700 0.033 0.000 1.193 327 E HN 0.554 nan 8.360 nan 0.000 0.423 328 S N 4.632 120.228 115.700 -0.173 0.000 2.448 328 S HA 0.247 4.716 4.470 -0.001 0.000 0.320 328 S C -0.845 173.647 174.600 -0.180 0.000 1.071 328 S CA -0.636 57.523 58.200 -0.069 0.000 1.113 328 S CB 0.259 63.414 63.200 -0.075 0.000 0.972 328 S HN 0.518 nan 8.310 nan 0.000 0.465 329 H N 5.877 124.939 119.070 -0.013 0.000 2.741 329 H HA 0.247 4.803 4.556 -0.000 0.000 0.282 329 H C 0.114 175.402 175.328 -0.067 0.000 1.122 329 H CA -0.679 55.348 56.048 -0.035 0.000 1.293 329 H CB 0.441 30.184 29.762 -0.032 0.000 1.415 329 H HN 0.545 nan 8.280 nan 0.000 0.472 330 R N 3.998 124.516 120.500 0.029 0.000 2.248 330 R HA 0.257 4.597 4.340 -0.001 0.000 0.337 330 R C -0.557 175.799 176.300 0.093 0.000 1.106 330 R CA -0.404 55.715 56.100 0.032 0.000 0.959 330 R CB -0.054 30.272 30.300 0.042 0.000 1.075 330 R HN 0.396 nan 8.270 nan 0.000 0.480 331 L N 2.620 123.874 121.223 0.052 0.000 2.322 331 L HA 0.510 4.850 4.340 -0.001 0.000 0.279 331 L C 0.752 177.627 176.870 0.008 0.000 1.036 331 L CA -0.903 53.940 54.840 0.005 0.000 0.807 331 L CB 1.464 43.507 42.059 -0.027 0.000 1.226 331 L HN 0.418 nan 8.230 nan 0.000 0.433 332 R N 1.599 122.008 120.500 -0.152 0.000 2.308 332 R HA 0.497 4.837 4.340 -0.001 0.000 0.305 332 R C -0.772 175.482 176.300 -0.076 0.000 1.053 332 R CA -0.182 55.807 56.100 -0.186 0.000 0.957 332 R CB 1.068 31.005 30.300 -0.606 0.000 1.022 332 R HN 0.826 nan 8.270 nan 0.000 0.461 333 T N 0.182 114.736 114.554 -0.001 0.000 2.903 333 T HA 0.243 4.593 4.350 -0.001 0.000 0.299 333 T C -0.088 174.637 174.700 0.041 0.000 1.093 333 T CA -1.018 61.066 62.100 -0.027 0.000 1.002 333 T CB 1.411 70.215 68.868 -0.108 0.000 1.127 333 T HN 0.638 nan 8.240 nan 0.000 0.488 334 N N 1.740 120.455 118.700 0.024 0.000 2.906 334 N HA 0.217 4.957 4.740 -0.001 0.000 0.282 334 N C 0.249 175.780 175.510 0.034 0.000 1.293 334 N CA -0.189 52.914 53.050 0.090 0.000 1.059 334 N CB 0.041 38.556 38.487 0.047 0.000 1.388 334 N HN 0.801 nan 8.380 nan 0.000 0.533 335 T N -3.623 110.920 114.554 -0.018 0.000 2.773 335 T HA 0.321 4.670 4.350 -0.001 0.000 0.278 335 T C -0.099 174.516 174.700 -0.142 0.000 1.011 335 T CA -1.031 60.989 62.100 -0.134 0.000 1.014 335 T CB 0.948 69.488 68.868 -0.546 0.000 1.293 335 T HN -0.150 nan 8.240 nan 0.000 0.554 336 Q N 1.456 121.147 119.800 -0.182 0.000 2.310 336 Q HA 0.257 4.597 4.340 -0.001 0.000 0.315 336 Q C 0.260 176.182 176.000 -0.129 0.000 1.081 336 Q CA 0.360 55.962 55.803 -0.334 0.000 0.981 336 Q CB 0.297 29.020 28.738 -0.024 0.000 1.184 336 Q HN 0.690 nan 8.270 nan 0.000 0.389 337 S N 3.980 119.629 115.700 -0.086 0.000 2.503 337 S HA 0.054 4.524 4.470 -0.001 0.000 0.317 337 S C -0.115 174.403 174.600 -0.137 0.000 1.162 337 S CA -0.645 57.480 58.200 -0.124 0.000 1.124 337 S CB -0.342 62.680 63.200 -0.297 0.000 1.207 337 S HN 0.467 nan 8.310 nan 0.000 0.538 338 N N 3.146 121.711 118.700 -0.225 0.000 2.374 338 N HA 0.120 4.859 4.740 -0.001 0.000 0.241 338 N C 0.394 175.688 175.510 -0.360 0.000 1.262 338 N CA 0.341 53.131 53.050 -0.433 0.000 0.880 338 N CB 1.102 39.035 38.487 -0.924 0.000 1.105 338 N HN 0.648 nan 8.380 nan 0.000 0.438 339 T N -1.114 113.351 114.554 -0.148 0.000 2.572 339 T HA 0.620 4.970 4.350 -0.001 0.000 0.274 339 T C -1.165 173.654 174.700 0.199 0.000 0.949 339 T CA -0.454 61.717 62.100 0.118 0.000 1.126 339 T CB 0.421 69.361 68.868 0.120 0.000 1.478 339 T HN 0.481 nan 8.240 nan 0.000 0.492 340 A N 0.924 123.889 122.820 0.242 0.000 2.407 340 A HA 0.647 4.967 4.320 -0.001 0.000 0.248 340 A C -0.822 177.028 177.584 0.443 0.000 1.082 340 A CA -0.118 52.127 52.037 0.346 0.000 0.785 340 A CB -0.520 18.823 19.000 0.571 0.000 1.020 340 A HN 0.723 nan 8.150 nan 0.000 0.489 341 F N 1.868 121.942 119.950 0.206 0.000 2.839 341 F HA 0.341 4.867 4.527 -0.001 0.000 0.344 341 F C 0.459 176.165 175.800 -0.156 0.000 1.242 341 F CA -1.025 57.024 58.000 0.081 0.000 1.091 341 F CB 0.993 39.883 39.000 -0.183 0.000 1.374 341 F HN 0.829 nan 8.300 nan 0.000 0.553 342 R N 4.166 124.874 120.500 0.346 0.000 4.209 342 R HA -0.159 4.180 4.340 -0.001 0.000 0.120 342 R C 0.820 176.818 176.300 -0.503 0.000 0.331 342 R CA 1.879 57.938 56.100 -0.068 0.000 0.776 342 R CB -0.871 29.411 30.300 -0.029 0.000 1.228 342 R HN 1.205 nan 8.270 nan 0.000 0.322 343 G N 3.019 111.690 108.800 -0.215 0.000 2.699 343 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.198 343 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.198 343 G C 0.241 175.273 174.900 0.219 0.000 1.033 343 G CA -0.127 44.889 45.100 -0.140 0.000 0.728 343 G HN 0.764 nan 8.290 nan 0.000 0.484 344 F N 0.857 120.783 119.950 -0.041 0.000 2.983 344 F HA 0.051 4.578 4.527 -0.001 0.000 0.288 344 F C 1.779 177.594 175.800 0.026 0.000 0.980 344 F CA 2.508 60.536 58.000 0.047 0.000 0.965 344 F CB -0.979 38.080 39.000 0.098 0.000 0.967 344 F HN 2.026 nan 8.300 nan 0.000 0.800 345 G N -0.368 108.374 108.800 -0.097 0.000 2.284 345 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.247 345 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.247 345 G C 1.560 176.376 174.900 -0.139 0.000 1.012 345 G CA 0.817 45.825 45.100 -0.153 0.000 0.618 345 G HN 1.582 nan 8.290 nan 0.000 0.521 346 G N 1.611 110.394 108.800 -0.029 0.000 2.440 346 G HA2 0.041 4.001 3.960 -0.001 0.000 0.218 346 G HA3 0.041 4.001 3.960 -0.001 0.000 0.218 346 G C 0.146 175.018 174.900 -0.047 0.000 1.154 346 G CA 2.019 47.039 45.100 -0.134 0.000 0.767 346 G HN 0.561 nan 8.290 nan 0.000 0.552 347 P HA -0.066 nan 4.420 nan 0.000 0.215 347 P C 1.770 179.154 177.300 0.140 0.000 1.157 347 P CA 1.289 64.474 63.100 0.142 0.000 0.863 347 P CB -0.020 31.764 31.700 0.139 0.000 0.787 348 Q N -0.468 119.305 119.800 -0.045 0.000 2.030 348 Q HA -0.087 4.253 4.340 -0.001 0.000 0.204 348 Q C 2.492 178.288 176.000 -0.341 0.000 0.986 348 Q CA 2.093 57.744 55.803 -0.254 0.000 0.843 348 Q CB -1.762 26.417 28.738 -0.932 0.000 0.904 348 Q HN 0.233 nan 8.270 nan 0.000 0.420 349 G N 0.306 108.867 108.800 -0.399 0.000 2.440 349 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.218 349 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.218 349 G C 1.466 176.331 174.900 -0.057 0.000 1.154 349 G CA 1.022 45.977 45.100 -0.241 0.000 0.767 349 G HN 0.455 nan 8.290 nan 0.000 0.552 350 A N 0.083 122.930 122.820 0.045 0.000 1.930 350 A HA 0.230 4.549 4.320 -0.001 0.000 0.215 350 A C 2.293 179.966 177.584 0.149 0.000 1.176 350 A CA 1.395 53.513 52.037 0.134 0.000 0.632 350 A CB -0.333 18.777 19.000 0.183 0.000 0.819 350 A HN 0.417 nan 8.150 nan 0.000 0.445 351 L N 0.395 121.702 121.223 0.141 0.000 2.131 351 L HA -0.017 4.322 4.340 -0.001 0.000 0.210 351 L C 2.297 179.326 176.870 0.264 0.000 1.092 351 L CA 2.090 57.040 54.840 0.183 0.000 0.759 351 L CB -1.011 41.134 42.059 0.143 0.000 0.903 351 L HN 0.297 nan 8.230 nan 0.000 0.435 352 G N -0.514 108.413 108.800 0.212 0.000 2.446 352 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.217 352 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.217 352 G C 1.553 176.619 174.900 0.277 0.000 1.168 352 G CA 1.157 46.438 45.100 0.302 0.000 0.771 352 G HN 0.422 nan 8.290 nan 0.000 0.551 353 M N 0.456 120.131 119.600 0.124 0.000 2.175 353 M HA 0.081 4.561 4.480 -0.001 0.000 0.264 353 M C 2.209 178.617 176.300 0.179 0.000 1.063 353 M CA 1.201 56.656 55.300 0.259 0.000 1.119 353 M CB -0.278 32.477 32.600 0.260 0.000 1.377 353 M HN 0.103 nan 8.290 nan 0.000 0.415 354 E N -0.241 120.072 120.200 0.188 0.000 2.072 354 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 354 E C 2.223 178.842 176.600 0.033 0.000 0.985 354 E CA 0.809 57.301 56.400 0.153 0.000 0.801 354 E CB -0.424 29.395 29.700 0.198 0.000 0.750 354 E HN 0.399 nan 8.360 nan 0.000 0.452 355 R N 0.447 120.939 120.500 -0.013 0.000 2.119 355 R HA 0.083 4.423 4.340 -0.001 0.000 0.222 355 R C 2.013 178.091 176.300 -0.369 0.000 1.088 355 R CA 0.974 56.959 56.100 -0.191 0.000 0.984 355 R CB -0.321 29.716 30.300 -0.439 0.000 0.884 355 R HN 0.120 nan 8.270 nan 0.000 0.447 356 A N 0.712 123.236 122.820 -0.495 0.000 1.873 356 A HA -0.122 4.198 4.320 -0.001 0.000 0.215 356 A C 2.233 179.639 177.584 -0.297 0.000 1.186 356 A CA 1.154 52.759 52.037 -0.720 0.000 0.616 356 A CB -0.509 18.250 19.000 -0.402 0.000 0.823 356 A HN 0.320 nan 8.150 nan 0.000 0.442 357 I N -0.842 119.614 120.570 -0.190 0.000 2.546 357 I HA -0.168 4.001 4.170 -0.001 0.000 0.255 357 I C 2.305 178.352 176.117 -0.116 0.000 1.163 357 I CA 1.603 62.789 61.300 -0.190 0.000 1.457 357 I CB -0.006 37.790 38.000 -0.340 0.000 1.092 357 I HN 0.484 nan 8.210 nan 0.000 0.434 358 E N 0.289 120.449 120.200 -0.067 0.000 2.031 358 E HA -0.321 4.028 4.350 -0.001 0.000 0.193 358 E C 2.284 178.910 176.600 0.045 0.000 0.994 358 E CA 1.589 57.996 56.400 0.012 0.000 0.800 358 E CB -0.312 29.388 29.700 -0.001 0.000 0.752 358 E HN 0.454 nan 8.360 nan 0.000 0.447 359 H N -0.052 118.928 119.070 -0.149 0.000 2.353 359 H HA -0.157 4.399 4.556 -0.001 0.000 0.298 359 H C 2.119 177.284 175.328 -0.272 0.000 1.103 359 H CA 1.767 57.548 56.048 -0.445 0.000 1.293 359 H CB -0.316 29.105 29.762 -0.569 0.000 1.372 359 H HN 0.268 nan 8.280 nan 0.000 0.501 360 L N 0.642 121.862 121.223 -0.005 0.000 2.083 360 L HA -0.068 4.272 4.340 -0.001 0.000 0.209 360 L C 2.691 179.518 176.870 -0.071 0.000 1.083 360 L CA 1.825 56.642 54.840 -0.037 0.000 0.752 360 L CB -0.876 41.134 42.059 -0.081 0.000 0.899 360 L HN 0.287 nan 8.230 nan 0.000 0.433 361 A N -0.650 122.133 122.820 -0.062 0.000 1.873 361 A HA -0.144 4.175 4.320 -0.001 0.000 0.215 361 A C 2.309 179.873 177.584 -0.034 0.000 1.186 361 A CA 1.284 53.286 52.037 -0.058 0.000 0.616 361 A CB -0.432 18.552 19.000 -0.027 0.000 0.823 361 A HN 0.389 nan 8.150 nan 0.000 0.442 362 R N -0.551 119.957 120.500 0.014 0.000 2.075 362 R HA -0.086 4.253 4.340 -0.001 0.000 0.232 362 R C 2.327 178.622 176.300 -0.010 0.000 1.126 362 R CA 1.285 57.412 56.100 0.045 0.000 0.963 362 R CB -1.341 29.069 30.300 0.182 0.000 0.858 362 R HN 0.514 nan 8.270 nan 0.000 0.435 363 G N 1.917 110.686 108.800 -0.052 0.000 2.432 363 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.219 363 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.219 363 G C 1.476 176.368 174.900 -0.013 0.000 1.135 363 G CA 0.868 45.952 45.100 -0.026 0.000 0.767 363 G HN 0.439 nan 8.290 nan 0.000 0.550 364 M N -0.956 118.587 119.600 -0.095 0.000 2.356 364 M HA 0.491 4.971 4.480 -0.001 0.000 0.262 364 M C 1.111 177.331 176.300 -0.134 0.000 1.097 364 M CA 0.409 55.585 55.300 -0.207 0.000 0.991 364 M CB 0.444 32.619 32.600 -0.708 0.000 1.450 364 M HN 0.213 nan 8.290 nan 0.000 0.495 365 G N 2.562 111.321 108.800 -0.069 0.000 2.350 365 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.298 365 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.298 365 G C -0.360 174.508 174.900 -0.053 0.000 1.037 365 G CA 0.555 45.630 45.100 -0.042 0.000 1.074 365 G HN 0.685 nan 8.290 nan 0.000 0.511 366 R N -0.870 119.594 120.500 -0.060 0.000 2.912 366 R HA 0.525 4.865 4.340 -0.001 0.000 0.262 366 R C -0.666 175.617 176.300 -0.028 0.000 1.057 366 R CA -0.907 55.160 56.100 -0.055 0.000 0.981 366 R CB 1.020 31.268 30.300 -0.087 0.000 1.201 366 R HN 0.171 nan 8.270 nan 0.000 0.484 367 D N 1.212 121.601 120.400 -0.018 0.000 2.343 367 D HA 0.132 4.772 4.640 -0.001 0.000 0.255 367 D C -1.758 174.552 176.300 0.016 0.000 1.187 367 D CA -1.773 52.231 54.000 0.006 0.000 0.875 367 D CB 1.537 42.346 40.800 0.015 0.000 1.136 367 D HN 0.152 nan 8.370 nan 0.000 0.469 368 P HA -0.184 nan 4.420 nan 0.000 0.214 368 P C 0.992 178.319 177.300 0.045 0.000 1.163 368 P CA 1.743 64.867 63.100 0.041 0.000 0.889 368 P CB 0.047 31.799 31.700 0.086 0.000 0.790 369 A N 0.138 123.025 122.820 0.112 0.000 1.917 369 A HA -0.279 4.041 4.320 -0.001 0.000 0.219 369 A C 2.389 180.002 177.584 0.047 0.000 1.182 369 A CA 1.948 54.062 52.037 0.128 0.000 0.633 369 A CB -1.406 17.765 19.000 0.286 0.000 0.819 369 A HN 0.177 nan 8.150 nan 0.000 0.448 370 E N -0.448 119.778 120.200 0.044 0.000 2.110 370 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 370 E C 1.933 178.501 176.600 -0.055 0.000 0.988 370 E CA 1.446 57.848 56.400 0.003 0.000 0.804 370 E CB -0.213 29.494 29.700 0.011 0.000 0.745 370 E HN 0.461 nan 8.360 nan 0.000 0.458 371 L N 1.183 122.366 121.223 -0.067 0.000 2.093 371 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 371 L C 2.493 179.261 176.870 -0.171 0.000 1.085 371 L CA 1.420 56.194 54.840 -0.109 0.000 0.755 371 L CB -0.207 41.786 42.059 -0.110 0.000 0.904 371 L HN -0.016 nan 8.230 nan 0.000 0.435 372 R N -0.841 119.550 120.500 -0.182 0.000 2.066 372 R HA -0.063 4.277 4.340 -0.001 0.000 0.232 372 R C 2.281 178.122 176.300 -0.765 0.000 1.131 372 R CA 1.204 57.150 56.100 -0.258 0.000 0.955 372 R CB -0.689 29.580 30.300 -0.051 0.000 0.851 372 R HN 0.467 nan 8.270 nan 0.000 0.432 373 A N 1.353 123.805 122.820 -0.614 0.000 1.917 373 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 373 A C 2.103 179.499 177.584 -0.313 0.000 1.182 373 A CA 1.309 53.026 52.037 -0.532 0.000 0.633 373 A CB -0.534 18.408 19.000 -0.096 0.000 0.819 373 A HN 0.264 nan 8.150 nan 0.000 0.448 374 L N -0.375 120.731 121.223 -0.195 0.000 2.275 374 L HA -0.046 4.294 4.340 -0.001 0.000 0.215 374 L C 1.133 177.965 176.870 -0.064 0.000 1.119 374 L CA 1.537 56.324 54.840 -0.088 0.000 0.790 374 L CB -0.184 41.836 42.059 -0.065 0.000 0.919 374 L HN 0.374 nan 8.230 nan 0.000 0.443 375 N N -1.544 117.087 118.700 -0.115 0.000 2.204 375 N HA 0.132 4.872 4.740 -0.001 0.000 0.219 375 N C -0.203 175.421 175.510 0.191 0.000 1.151 375 N CA -0.098 52.974 53.050 0.037 0.000 0.867 375 N CB 0.338 38.829 38.487 0.007 0.000 1.043 375 N HN 0.206 nan 8.380 nan 0.000 0.516 376 F N 0.590 120.633 119.950 0.154 0.000 2.490 376 F HA 0.091 4.618 4.527 -0.001 0.000 0.336 376 F C 1.038 176.847 175.800 0.014 0.000 1.178 376 F CA -0.738 57.290 58.000 0.046 0.000 1.301 376 F CB 0.394 39.400 39.000 0.010 0.000 1.175 376 F HN -0.015 nan 8.300 nan 0.000 0.593 377 Y N 0.892 121.328 120.300 0.225 0.000 2.511 377 Y HA -0.047 4.503 4.550 -0.001 0.000 0.347 377 Y C 0.611 176.531 175.900 0.033 0.000 1.257 377 Y CA -0.334 57.825 58.100 0.098 0.000 1.469 377 Y CB 0.091 38.564 38.460 0.022 0.000 1.353 377 Y HN 0.407 nan 8.280 nan 0.000 0.617 378 D N 3.025 123.515 120.400 0.150 0.000 2.399 378 D HA 0.140 4.780 4.640 -0.001 0.000 0.241 378 D C -2.325 173.992 176.300 0.029 0.000 1.133 378 D CA -1.211 52.823 54.000 0.056 0.000 0.890 378 D CB 0.272 41.073 40.800 0.002 0.000 1.201 378 D HN 0.219 nan 8.370 nan 0.000 0.432 379 P HA 0.216 nan 4.420 nan 0.000 0.274 379 P C -2.487 174.811 177.300 -0.005 0.000 1.237 379 P CA -1.085 62.002 63.100 -0.023 0.000 0.793 379 P CB -0.242 31.449 31.700 -0.015 0.000 0.977 380 P HA 0.066 nan 4.420 nan 0.000 0.265 380 P C -0.428 176.880 177.300 0.014 0.000 1.193 380 P CA 0.744 63.852 63.100 0.014 0.000 0.765 380 P CB -0.050 31.665 31.700 0.024 0.000 0.823 399 K N 1.243 121.639 120.400 -0.007 0.000 2.237 399 K HA 0.301 4.621 4.320 -0.001 0.000 0.270 399 K C -0.651 175.939 176.600 -0.016 0.000 1.015 399 K CA -0.194 56.090 56.287 -0.004 0.000 0.949 399 K CB 0.475 32.977 32.500 0.003 0.000 0.976 399 K HN 0.604 nan 8.250 nan 0.000 0.472 400 T N 2.527 117.078 114.554 -0.005 0.000 2.898 400 T HA 0.046 4.396 4.350 -0.001 0.000 0.301 400 T C 0.422 175.110 174.700 -0.020 0.000 1.049 400 T CA -0.415 61.680 62.100 -0.008 0.000 1.095 400 T CB 0.543 69.420 68.868 0.014 0.000 0.976 400 T HN 0.410 nan 8.240 nan 0.000 0.539 401 Q N 1.071 120.847 119.800 -0.041 0.000 2.417 401 Q HA 0.418 4.758 4.340 -0.001 0.000 0.241 401 Q C 0.486 176.551 176.000 0.109 0.000 1.008 401 Q CA -0.318 55.456 55.803 -0.048 0.000 0.901 401 Q CB 0.711 29.370 28.738 -0.131 0.000 1.259 401 Q HN 0.839 nan 8.270 nan 0.000 0.489 402 T N -2.471 112.225 114.554 0.236 0.000 2.916 402 T HA 0.499 4.849 4.350 -0.001 0.000 0.292 402 T C 0.141 175.006 174.700 0.275 0.000 1.055 402 T CA -0.909 61.296 62.100 0.174 0.000 1.009 402 T CB 1.507 70.428 68.868 0.089 0.000 1.118 402 T HN 0.654 nan 8.240 nan 0.000 0.497 403 T N -0.690 113.831 114.554 -0.053 0.000 2.726 403 T HA 0.175 4.525 4.350 -0.001 0.000 0.294 403 T C 1.653 176.228 174.700 -0.209 0.000 1.013 403 T CA -0.047 61.932 62.100 -0.203 0.000 0.996 403 T CB 0.085 68.380 68.868 -0.955 0.000 1.016 403 T HN 0.917 nan 8.240 nan 0.000 0.529 404 H N 0.231 119.268 119.070 -0.055 0.000 2.457 404 H HA -0.150 4.405 4.556 -0.001 0.000 0.297 404 H C 1.533 176.913 175.328 0.087 0.000 1.092 404 H CA 1.838 57.928 56.048 0.070 0.000 1.309 404 H CB -0.886 28.999 29.762 0.206 0.000 1.382 404 H HN 0.926 nan 8.280 nan 0.000 0.535 405 Y N -0.663 119.453 120.300 -0.307 0.000 2.461 405 Y HA 0.485 5.034 4.550 -0.001 0.000 0.277 405 Y C 1.536 177.355 175.900 -0.135 0.000 1.182 405 Y CA -0.382 57.575 58.100 -0.238 0.000 1.276 405 Y CB -0.084 38.140 38.460 -0.393 0.000 1.087 405 Y HN 0.286 nan 8.280 nan 0.000 0.519 406 G N 0.691 109.353 108.800 -0.230 0.000 2.137 406 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.237 406 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.237 406 G C -0.191 174.656 174.900 -0.087 0.000 1.002 406 G CA 0.166 45.211 45.100 -0.092 0.000 0.702 406 G HN 0.625 nan 8.290 nan 0.000 0.515 407 Q N 0.368 120.032 119.800 -0.226 0.000 2.303 407 Q HA 0.479 4.819 4.340 -0.001 0.000 0.257 407 Q C 0.231 176.212 176.000 -0.032 0.000 0.941 407 Q CA -0.555 55.209 55.803 -0.064 0.000 0.931 407 Q CB 0.613 29.389 28.738 0.064 0.000 1.215 407 Q HN 0.521 nan 8.270 nan 0.000 0.437 408 E N 1.963 122.182 120.200 0.033 0.000 2.414 408 E HA 0.075 4.425 4.350 -0.001 0.000 0.263 408 E C -0.966 175.675 176.600 0.069 0.000 1.000 408 E CA -0.029 56.397 56.400 0.042 0.000 0.914 408 E CB 1.004 30.734 29.700 0.049 0.000 0.948 408 E HN 0.364 nan 8.360 nan 0.000 0.444 409 V N 3.007 122.916 119.914 -0.008 0.000 2.257 409 V HA 0.330 4.450 4.120 -0.001 0.000 0.269 409 V C 0.220 176.323 176.094 0.014 0.000 1.040 409 V CA -0.350 61.914 62.300 -0.060 0.000 0.813 409 V CB 0.921 32.438 31.823 -0.509 0.000 1.065 409 V HN 0.736 nan 8.190 nan 0.000 0.457 410 A N 3.394 126.263 122.820 0.081 0.000 2.793 410 A HA 0.499 4.819 4.320 -0.001 0.000 0.301 410 A C 0.581 178.218 177.584 0.087 0.000 1.172 410 A CA -0.066 52.010 52.037 0.066 0.000 0.973 410 A CB -0.127 18.909 19.000 0.060 0.000 1.164 410 A HN 0.764 nan 8.150 nan 0.000 0.542 411 D N -2.256 118.214 120.400 0.116 0.000 2.672 411 D HA 0.061 4.700 4.640 -0.001 0.000 0.287 411 D C -0.381 175.941 176.300 0.037 0.000 1.559 411 D CA -0.138 53.949 54.000 0.145 0.000 0.796 411 D CB -1.079 39.884 40.800 0.271 0.000 1.181 411 D HN 0.074 nan 8.370 nan 0.000 0.458 412 C N 1.956 121.185 119.300 -0.118 0.000 2.256 412 C HA 0.476 4.935 4.460 -0.001 0.000 0.333 412 C C 1.560 176.230 174.990 -0.532 0.000 1.183 412 C CA -0.367 58.358 59.018 -0.487 0.000 1.692 412 C CB -0.543 27.062 27.740 -0.225 0.000 2.274 412 C HN 0.330 nan 8.230 nan 0.000 0.509 413 V N 4.947 124.353 119.914 -0.846 0.000 3.483 413 V HA 0.191 4.310 4.120 -0.001 0.000 0.301 413 V C 1.532 177.201 176.094 -0.709 0.000 1.389 413 V CA 0.601 62.540 62.300 -0.601 0.000 1.101 413 V CB -0.827 30.681 31.823 -0.524 0.000 0.971 413 V HN 0.831 nan 8.190 nan 0.000 0.434 414 L N 1.613 122.347 121.223 -0.815 0.000 2.079 414 L HA -0.030 4.310 4.340 -0.001 0.000 0.210 414 L C 2.769 179.287 176.870 -0.587 0.000 1.081 414 L CA 1.999 56.332 54.840 -0.845 0.000 0.752 414 L CB -0.947 40.385 42.059 -1.213 0.000 0.896 414 L HN 0.520 nan 8.230 nan 0.000 0.433 415 G N -0.599 108.019 108.800 -0.303 0.000 2.446 415 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.217 415 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.217 415 G C 1.489 176.362 174.900 -0.045 0.000 1.168 415 G CA 0.972 46.072 45.100 -0.001 0.000 0.771 415 G HN 0.432 nan 8.290 nan 0.000 0.551 416 E N -0.338 119.790 120.200 -0.121 0.000 2.046 416 E HA 0.011 4.361 4.350 -0.001 0.000 0.190 416 E C 2.461 178.981 176.600 -0.134 0.000 0.982 416 E CA 0.441 56.808 56.400 -0.054 0.000 0.800 416 E CB -0.183 29.545 29.700 0.047 0.000 0.756 416 E HN 0.378 nan 8.360 nan 0.000 0.449 417 L N 0.457 121.401 121.223 -0.465 0.000 1.990 417 L HA -0.224 4.116 4.340 -0.001 0.000 0.213 417 L C 2.367 179.099 176.870 -0.229 0.000 1.072 417 L CA 1.352 55.845 54.840 -0.579 0.000 0.755 417 L CB -0.278 41.212 42.059 -0.949 0.000 0.889 417 L HN 0.068 nan 8.230 nan 0.000 0.432 418 V N -0.214 119.578 119.914 -0.203 0.000 2.287 418 V HA -0.344 3.776 4.120 -0.001 0.000 0.248 418 V C 2.546 178.632 176.094 -0.013 0.000 1.053 418 V CA 2.407 64.663 62.300 -0.073 0.000 1.027 418 V CB -1.021 30.835 31.823 0.056 0.000 0.646 418 V HN 0.612 nan 8.190 nan 0.000 0.447 419 T N -0.359 114.208 114.554 0.022 0.000 2.653 419 T HA -0.337 4.012 4.350 -0.001 0.000 0.268 419 T C 2.010 176.742 174.700 0.055 0.000 1.035 419 T CA 2.162 64.294 62.100 0.052 0.000 1.154 419 T CB -0.353 68.552 68.868 0.062 0.000 0.862 419 T HN 0.391 nan 8.240 nan 0.000 0.441 420 R N 0.293 120.832 120.500 0.065 0.000 2.083 420 R HA -0.056 4.284 4.340 -0.001 0.000 0.237 420 R C 2.471 178.813 176.300 0.069 0.000 1.137 420 R CA 1.278 57.437 56.100 0.099 0.000 0.951 420 R CB -0.506 29.911 30.300 0.194 0.000 0.851 420 R HN 0.327 nan 8.270 nan 0.000 0.434 421 L N 1.090 122.334 121.223 0.036 0.000 2.083 421 L HA -0.179 4.160 4.340 -0.001 0.000 0.209 421 L C 2.084 178.946 176.870 -0.014 0.000 1.083 421 L CA 1.738 56.582 54.840 0.006 0.000 0.752 421 L CB -0.274 41.764 42.059 -0.035 0.000 0.899 421 L HN 0.245 nan 8.230 nan 0.000 0.433 422 Q N -0.760 119.027 119.800 -0.022 0.000 2.084 422 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 422 Q C 2.042 178.101 176.000 0.099 0.000 0.978 422 Q CA 1.421 57.230 55.803 0.010 0.000 0.844 422 Q CB -0.049 28.717 28.738 0.047 0.000 0.898 422 Q HN 0.359 nan 8.270 nan 0.000 0.426 423 K N 0.306 120.755 120.400 0.082 0.000 2.057 423 K HA -0.069 4.251 4.320 -0.001 0.000 0.206 423 K C 2.267 178.909 176.600 0.070 0.000 1.050 423 K CA 1.557 57.893 56.287 0.082 0.000 0.935 423 K CB -0.526 32.016 32.500 0.070 0.000 0.715 423 K HN 0.236 nan 8.250 nan 0.000 0.439 424 S N 0.984 116.720 115.700 0.061 0.000 2.368 424 S HA -0.015 4.454 4.470 -0.001 0.000 0.224 424 S C 2.192 176.823 174.600 0.052 0.000 1.029 424 S CA 0.973 59.205 58.200 0.052 0.000 0.988 424 S CB -0.307 62.923 63.200 0.049 0.000 0.838 424 S HN 0.229 nan 8.310 nan 0.000 0.462 425 A N 1.490 124.343 122.820 0.055 0.000 2.206 425 A HA 0.204 4.524 4.320 -0.001 0.000 0.211 425 A C 0.868 178.511 177.584 0.098 0.000 1.158 425 A CA 0.374 52.448 52.037 0.061 0.000 0.761 425 A CB -1.119 17.904 19.000 0.038 0.000 0.801 425 A HN 0.747 nan 8.150 nan 0.000 0.473 426 N N -2.073 116.693 118.700 0.109 0.000 2.681 426 N HA -0.201 4.538 4.740 -0.001 0.000 0.259 426 N C 0.211 175.824 175.510 0.171 0.000 1.066 426 N CA 0.354 53.472 53.050 0.112 0.000 0.717 426 N CB -0.828 37.700 38.487 0.068 0.000 0.885 426 N HN 0.393 nan 8.380 nan 0.000 0.547 427 F N 1.222 121.182 119.950 0.015 0.000 2.037 427 F HA -0.060 4.467 4.527 -0.001 0.000 0.291 427 F C 2.556 178.363 175.800 0.011 0.000 1.137 427 F CA 2.124 60.132 58.000 0.014 0.000 1.178 427 F CB -0.927 38.088 39.000 0.024 0.000 0.995 427 F HN 0.246 nan 8.300 nan 0.000 0.472 428 T N -0.383 114.145 114.554 -0.042 0.000 2.699 428 T HA -0.223 4.127 4.350 -0.001 0.000 0.268 428 T C 1.861 176.492 174.700 -0.115 0.000 1.036 428 T CA 2.175 64.182 62.100 -0.156 0.000 1.147 428 T CB -0.907 67.939 68.868 -0.038 0.000 0.862 428 T HN 0.313 nan 8.240 nan 0.000 0.446 429 T N 1.553 116.083 114.554 -0.040 0.000 2.708 429 T HA -0.048 4.301 4.350 -0.001 0.000 0.266 429 T C 2.132 176.806 174.700 -0.042 0.000 1.037 429 T CA 0.892 62.977 62.100 -0.026 0.000 1.146 429 T CB -0.155 68.716 68.868 0.006 0.000 0.865 429 T HN 0.318 nan 8.240 nan 0.000 0.435 430 R N 0.413 120.888 120.500 -0.042 0.000 2.092 430 R HA 0.073 4.413 4.340 -0.001 0.000 0.231 430 R C 2.744 178.983 176.300 -0.103 0.000 1.119 430 R CA 0.937 57.008 56.100 -0.049 0.000 0.970 430 R CB -0.166 30.131 30.300 -0.005 0.000 0.864 430 R HN 0.260 nan 8.270 nan 0.000 0.440 431 R N 0.204 120.582 120.500 -0.203 0.000 2.083 431 R HA -0.132 4.207 4.340 -0.001 0.000 0.237 431 R C 2.157 178.370 176.300 -0.146 0.000 1.137 431 R CA 1.708 57.653 56.100 -0.259 0.000 0.951 431 R CB -0.224 29.785 30.300 -0.485 0.000 0.851 431 R HN 0.199 nan 8.270 nan 0.000 0.434 432 A N 0.618 123.368 122.820 -0.116 0.000 1.933 432 A HA -0.175 4.145 4.320 -0.001 0.000 0.218 432 A C 1.861 179.431 177.584 -0.024 0.000 1.175 432 A CA 1.519 53.518 52.037 -0.062 0.000 0.628 432 A CB -0.381 18.589 19.000 -0.050 0.000 0.814 432 A HN 0.437 nan 8.150 nan 0.000 0.444 433 E N -0.544 119.645 120.200 -0.020 0.000 2.150 433 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 433 E C 1.754 178.386 176.600 0.055 0.000 0.985 433 E CA 1.076 57.487 56.400 0.019 0.000 0.814 433 E CB -0.222 29.480 29.700 0.004 0.000 0.752 433 E HN 0.719 nan 8.360 nan 0.000 0.466 434 I N 0.807 121.381 120.570 0.007 0.000 2.406 434 I HA -0.185 3.985 4.170 -0.001 0.000 0.249 434 I C 2.480 178.651 176.117 0.090 0.000 1.122 434 I CA 0.667 61.986 61.300 0.032 0.000 1.431 434 I CB -0.183 37.785 38.000 -0.054 0.000 1.087 434 I HN 0.050 nan 8.210 nan 0.000 0.424 435 A N 0.856 123.693 122.820 0.029 0.000 1.917 435 A HA -0.236 4.083 4.320 -0.001 0.000 0.219 435 A C 2.504 180.117 177.584 0.048 0.000 1.182 435 A CA 2.177 54.227 52.037 0.022 0.000 0.633 435 A CB -0.860 18.131 19.000 -0.014 0.000 0.819 435 A HN 0.437 nan 8.150 nan 0.000 0.448 436 A N -1.881 120.977 122.820 0.064 0.000 1.854 436 A HA -0.091 4.229 4.320 -0.001 0.000 0.214 436 A C 2.000 179.642 177.584 0.097 0.000 1.192 436 A CA 1.379 53.453 52.037 0.061 0.000 0.611 436 A CB -1.012 18.021 19.000 0.055 0.000 0.832 436 A HN 0.803 nan 8.150 nan 0.000 0.442 437 W N 1.574 122.854 121.300 -0.034 0.000 2.321 437 W HA -0.255 4.405 4.660 -0.001 0.000 0.306 437 W C 1.855 178.354 176.519 -0.034 0.000 1.217 437 W CA 2.244 59.571 57.345 -0.031 0.000 1.257 437 W CB -0.155 29.287 29.460 -0.030 0.000 1.145 437 W HN 0.376 nan 8.180 nan 0.000 0.509 438 N N 0.019 118.882 118.700 0.272 0.000 2.058 438 N HA -0.203 4.536 4.740 -0.001 0.000 0.191 438 N C 1.953 177.434 175.510 -0.049 0.000 1.037 438 N CA 2.407 55.538 53.050 0.136 0.000 0.848 438 N CB -1.311 37.259 38.487 0.139 0.000 1.021 438 N HN 0.260 nan 8.380 nan 0.000 0.422 439 S N -0.908 114.769 115.700 -0.038 0.000 2.469 439 S HA -0.057 4.413 4.470 -0.001 0.000 0.238 439 S C 1.666 176.198 174.600 -0.114 0.000 0.998 439 S CA 1.243 59.404 58.200 -0.065 0.000 0.957 439 S CB -0.569 62.606 63.200 -0.041 0.000 0.764 439 S HN 0.251 nan 8.310 nan 0.000 0.514 440 T N 1.473 115.915 114.554 -0.186 0.000 3.035 440 T HA 0.190 4.540 4.350 -0.001 0.000 0.259 440 T C 0.454 174.969 174.700 -0.309 0.000 1.078 440 T CA 0.319 62.273 62.100 -0.244 0.000 1.132 440 T CB -0.276 68.413 68.868 -0.299 0.000 0.900 440 T HN 0.476 nan 8.240 nan 0.000 0.480 441 N N 0.883 119.343 118.700 -0.400 0.000 2.489 441 N HA 0.492 5.232 4.740 -0.001 0.000 0.284 441 N C 0.967 176.361 175.510 -0.194 0.000 1.158 441 N CA -0.652 52.172 53.050 -0.376 0.000 0.965 441 N CB 1.183 39.302 38.487 -0.613 0.000 1.195 441 N HN 0.256 nan 8.380 nan 0.000 0.506 442 R N -1.387 119.028 120.500 -0.142 0.000 2.568 442 R HA 0.234 4.573 4.340 -0.001 0.000 0.254 442 R C 0.081 176.347 176.300 -0.056 0.000 0.925 442 R CA 0.057 56.108 56.100 -0.083 0.000 1.025 442 R CB -0.028 30.229 30.300 -0.072 0.000 1.428 442 R HN 0.392 nan 8.270 nan 0.000 0.573 443 T N 1.042 115.562 114.554 -0.057 0.000 2.983 443 T HA 0.325 4.674 4.350 -0.001 0.000 0.250 443 T C 0.534 175.238 174.700 0.006 0.000 1.037 443 T CA 0.419 62.503 62.100 -0.026 0.000 1.142 443 T CB 0.166 69.019 68.868 -0.025 0.000 0.876 443 T HN -0.008 nan 8.240 nan 0.000 0.455 444 L N 1.023 122.263 121.223 0.028 0.000 2.334 444 L HA 0.775 5.114 4.340 -0.001 0.000 0.276 444 L C -0.533 176.473 176.870 0.227 0.000 1.014 444 L CA -1.151 53.774 54.840 0.141 0.000 0.815 444 L CB 1.650 43.872 42.059 0.272 0.000 1.268 444 L HN 0.070 nan 8.230 nan 0.000 0.428 445 A N 2.956 125.906 122.820 0.216 0.000 2.393 445 A HA 0.756 5.075 4.320 -0.001 0.000 0.306 445 A C -0.861 176.797 177.584 0.124 0.000 1.050 445 A CA -0.702 51.464 52.037 0.215 0.000 0.724 445 A CB 1.463 20.503 19.000 0.067 0.000 1.248 445 A HN 0.722 nan 8.150 nan 0.000 0.424 446 R N 0.567 121.125 120.500 0.097 0.000 2.540 446 R HA 0.652 4.992 4.340 -0.001 0.000 0.287 446 R C -0.059 176.196 176.300 -0.075 0.000 0.980 446 R CA -0.308 55.727 56.100 -0.109 0.000 0.966 446 R CB 2.219 32.329 30.300 -0.316 0.000 1.106 446 R HN 0.880 nan 8.270 nan 0.000 0.480 447 G N 1.806 110.547 108.800 -0.098 0.000 2.638 447 G HA2 0.632 4.591 3.960 -0.001 0.000 0.302 447 G HA3 0.632 4.591 3.960 -0.001 0.000 0.302 447 G C -1.537 173.334 174.900 -0.049 0.000 1.365 447 G CA -0.468 44.585 45.100 -0.078 0.000 0.987 447 G HN 0.509 nan 8.290 nan 0.000 0.495 448 I N 1.010 121.574 120.570 -0.009 0.000 2.571 448 I HA 0.737 4.907 4.170 -0.001 0.000 0.289 448 I C -0.472 175.739 176.117 0.157 0.000 1.115 448 I CA -0.651 60.691 61.300 0.071 0.000 1.045 448 I CB 1.871 39.919 38.000 0.080 0.000 1.238 448 I HN 0.801 nan 8.210 nan 0.000 0.424 449 A N 7.086 130.018 122.820 0.187 0.000 2.539 449 A HA 0.780 5.099 4.320 -0.001 0.000 0.296 449 A C -2.096 175.576 177.584 0.146 0.000 1.073 449 A CA -0.572 51.589 52.037 0.206 0.000 0.700 449 A CB 1.862 20.946 19.000 0.140 0.000 1.296 449 A HN 0.758 nan 8.150 nan 0.000 0.405 450 L N 1.873 123.160 121.223 0.107 0.000 2.333 450 L HA 0.827 5.166 4.340 -0.001 0.000 0.280 450 L C -0.235 176.689 176.870 0.091 0.000 1.004 450 L CA -0.076 54.755 54.840 -0.015 0.000 0.820 450 L CB 1.944 43.846 42.059 -0.263 0.000 1.247 450 L HN 0.889 nan 8.230 nan 0.000 0.416 451 S N 5.005 120.770 115.700 0.108 0.000 2.532 451 S HA 0.793 5.263 4.470 -0.001 0.000 0.299 451 S C -2.907 171.788 174.600 0.159 0.000 1.105 451 S CA -1.241 57.061 58.200 0.170 0.000 1.018 451 S CB 1.885 65.191 63.200 0.177 0.000 1.021 451 S HN 0.516 nan 8.310 nan 0.000 0.483 452 P HA 0.632 nan 4.420 nan 0.000 0.281 452 P C -1.107 176.255 177.300 0.103 0.000 1.281 452 P CA -0.811 62.353 63.100 0.106 0.000 0.811 452 P CB 0.937 32.695 31.700 0.097 0.000 1.154 453 V N 0.153 120.105 119.914 0.064 0.000 2.709 453 V HA 0.483 4.603 4.120 -0.001 0.000 0.308 453 V C -0.133 175.999 176.094 0.062 0.000 1.062 453 V CA -0.449 61.913 62.300 0.102 0.000 0.901 453 V CB 1.871 33.781 31.823 0.146 0.000 1.003 453 V HN 0.566 nan 8.190 nan 0.000 0.425 454 K N 4.124 124.564 120.400 0.068 0.000 2.723 454 K HA 0.437 4.757 4.320 -0.001 0.000 0.229 454 K C -2.007 174.661 176.600 0.113 0.000 1.022 454 K CA -0.387 55.857 56.287 -0.072 0.000 1.045 454 K CB 0.929 33.379 32.500 -0.083 0.000 1.227 454 K HN 0.552 nan 8.250 nan 0.000 0.516 455 F N 2.544 122.446 119.950 -0.081 0.000 2.388 455 F HA 0.493 5.020 4.527 -0.001 0.000 0.358 455 F C 0.513 176.206 175.800 -0.178 0.000 1.122 455 F CA -0.348 57.639 58.000 -0.023 0.000 1.056 455 F CB 1.308 40.221 39.000 -0.145 0.000 1.155 455 F HN 0.544 nan 8.300 nan 0.000 0.461 456 G N 6.594 115.043 108.800 -0.585 0.000 2.442 456 G HA2 0.391 4.350 3.960 -0.001 0.000 0.249 456 G HA3 0.391 4.350 3.960 -0.001 0.000 0.249 456 G C -0.703 173.268 174.900 -1.548 0.000 1.263 456 G CA -0.506 43.644 45.100 -1.583 0.000 0.846 456 G HN 0.508 nan 8.290 nan 0.000 0.555 457 I N 1.074 120.954 120.570 -1.150 0.000 2.339 457 I HA 0.569 4.738 4.170 -0.001 0.000 0.290 457 I C 0.288 176.173 176.117 -0.387 0.000 0.994 457 I CA -0.185 60.672 61.300 -0.739 0.000 1.191 457 I CB 0.462 37.847 38.000 -1.024 0.000 1.343 457 I HN 0.516 nan 8.210 nan 0.000 0.458 458 S N 4.503 120.066 115.700 -0.228 0.000 2.908 458 S HA 0.087 4.557 4.470 -0.001 0.000 0.242 458 S C -0.740 173.804 174.600 -0.092 0.000 0.603 458 S CA -0.907 57.224 58.200 -0.116 0.000 1.070 458 S CB -0.067 63.127 63.200 -0.011 0.000 1.313 458 S HN 0.343 nan 8.310 nan 0.000 0.581 459 F N 2.644 122.561 119.950 -0.054 0.000 2.602 459 F HA 0.088 4.615 4.527 -0.001 0.000 0.385 459 F C 2.310 178.077 175.800 -0.055 0.000 1.063 459 F CA 1.023 58.973 58.000 -0.083 0.000 1.233 459 F CB 0.719 39.646 39.000 -0.121 0.000 1.067 459 F HN 0.817 nan 8.300 nan 0.000 0.564 460 T N 1.284 115.928 114.554 0.149 0.000 2.915 460 T HA -0.109 4.241 4.350 -0.001 0.000 0.269 460 T C 0.986 175.916 174.700 0.384 0.000 1.071 460 T CA 0.483 62.670 62.100 0.144 0.000 1.132 460 T CB -0.026 68.953 68.868 0.185 0.000 0.878 460 T HN 0.271 nan 8.240 nan 0.000 0.479 461 L N 3.330 124.690 121.223 0.228 0.000 2.395 461 L HA 0.287 4.626 4.340 -0.001 0.000 0.268 461 L C 1.289 178.117 176.870 -0.070 0.000 1.223 461 L CA 0.453 55.324 54.840 0.053 0.000 1.093 461 L CB -0.768 41.248 42.059 -0.073 0.000 1.349 461 L HN 0.361 nan 8.230 nan 0.000 0.427 462 T N 1.546 116.139 114.554 0.065 0.000 2.699 462 T HA -0.222 4.127 4.350 -0.001 0.000 0.268 462 T C 1.743 176.446 174.700 0.004 0.000 1.036 462 T CA 1.984 64.132 62.100 0.080 0.000 1.147 462 T CB -0.262 68.699 68.868 0.154 0.000 0.862 462 T HN 0.686 nan 8.240 nan 0.000 0.446 463 H N 1.162 120.252 119.070 0.033 0.000 2.518 463 H HA 0.068 4.623 4.556 -0.001 0.000 0.289 463 H C 1.900 177.209 175.328 -0.032 0.000 1.051 463 H CA 0.698 56.750 56.048 0.007 0.000 1.280 463 H CB -0.710 29.054 29.762 0.003 0.000 1.380 463 H HN 0.349 nan 8.280 nan 0.000 0.566 464 L N 1.086 122.066 121.223 -0.405 0.000 2.551 464 L HA -0.057 4.282 4.340 -0.001 0.000 0.228 464 L C 0.654 177.407 176.870 -0.196 0.000 1.153 464 L CA 0.199 54.763 54.840 -0.461 0.000 0.851 464 L CB -0.331 41.074 42.059 -1.091 0.000 0.959 464 L HN 0.202 nan 8.230 nan 0.000 0.451 465 N N 2.255 120.974 118.700 0.032 0.000 3.111 465 N HA 0.036 4.775 4.740 -0.001 0.000 0.302 465 N C -0.230 175.273 175.510 -0.012 0.000 1.317 465 N CA 0.171 53.301 53.050 0.134 0.000 1.151 465 N CB 0.141 38.701 38.487 0.121 0.000 1.456 465 N HN 0.571 nan 8.380 nan 0.000 0.547 466 Q N -1.037 118.745 119.800 -0.030 0.000 2.451 466 Q HA 0.856 5.196 4.340 -0.001 0.000 0.281 466 Q C -1.556 174.362 176.000 -0.137 0.000 1.099 466 Q CA -1.245 54.450 55.803 -0.179 0.000 0.806 466 Q CB 2.356 31.073 28.738 -0.036 0.000 1.419 466 Q HN 0.034 nan 8.270 nan 0.000 0.427 467 A N 0.424 123.055 122.820 -0.315 0.000 2.587 467 A HA 0.922 5.242 4.320 -0.001 0.000 0.293 467 A C -1.008 176.513 177.584 -0.106 0.000 1.087 467 A CA -0.260 51.713 52.037 -0.107 0.000 0.692 467 A CB 1.997 20.994 19.000 -0.005 0.000 1.291 467 A HN 0.922 nan 8.150 nan 0.000 0.407 468 G N -0.649 108.205 108.800 0.091 0.000 2.591 468 G HA2 0.830 4.789 3.960 -0.001 0.000 0.306 468 G HA3 0.830 4.789 3.960 -0.001 0.000 0.306 468 G C -0.597 174.399 174.900 0.160 0.000 1.334 468 G CA 0.182 45.393 45.100 0.185 0.000 0.981 468 G HN 1.797 nan 8.290 nan 0.000 0.491 469 A N 0.416 123.326 122.820 0.150 0.000 2.485 469 A HA 0.901 5.221 4.320 -0.001 0.000 0.292 469 A C -1.741 175.903 177.584 0.101 0.000 1.147 469 A CA -0.736 51.383 52.037 0.136 0.000 0.750 469 A CB 2.179 21.249 19.000 0.117 0.000 1.331 469 A HN 1.549 nan 8.150 nan 0.000 0.419 470 L N 0.755 122.025 121.223 0.077 0.000 2.476 470 L HA 0.697 5.037 4.340 -0.001 0.000 0.269 470 L C -1.581 175.303 176.870 0.023 0.000 0.965 470 L CA -0.249 54.617 54.840 0.043 0.000 0.845 470 L CB 1.996 44.074 42.059 0.033 0.000 1.259 470 L HN 0.504 nan 8.230 nan 0.000 0.403 471 V N 4.372 124.288 119.914 0.003 0.000 2.604 471 V HA 0.656 4.775 4.120 -0.001 0.000 0.305 471 V C -0.768 175.285 176.094 -0.068 0.000 1.043 471 V CA -0.636 61.652 62.300 -0.020 0.000 0.888 471 V CB 1.827 33.645 31.823 -0.008 0.000 0.995 471 V HN 0.720 nan 8.190 nan 0.000 0.429 472 Q N 4.339 124.065 119.800 -0.124 0.000 2.337 472 Q HA 0.651 4.991 4.340 -0.001 0.000 0.266 472 Q C -1.123 174.690 176.000 -0.311 0.000 1.023 472 Q CA -0.476 55.161 55.803 -0.277 0.000 0.829 472 Q CB 3.123 31.585 28.738 -0.459 0.000 1.306 472 Q HN 0.680 nan 8.270 nan 0.000 0.449 473 I N 2.634 123.024 120.570 -0.301 0.000 2.382 473 I HA 0.326 4.496 4.170 -0.001 0.000 0.286 473 I C -0.664 175.302 176.117 -0.252 0.000 1.002 473 I CA -0.853 60.340 61.300 -0.177 0.000 1.135 473 I CB 0.675 38.676 38.000 0.002 0.000 1.288 473 I HN 0.474 nan 8.210 nan 0.000 0.448 474 Y N 2.933 123.243 120.300 0.017 0.000 2.326 474 Y HA 0.094 4.644 4.550 -0.000 0.000 0.324 474 Y C 2.091 177.961 175.900 -0.051 0.000 1.291 474 Y CA -0.345 57.737 58.100 -0.030 0.000 1.348 474 Y CB 0.931 39.372 38.460 -0.032 0.000 1.294 474 Y HN 0.657 nan 8.280 nan 0.000 0.525 475 T N -3.082 111.497 114.554 0.042 0.000 2.849 475 T HA -0.222 4.128 4.350 -0.001 0.000 0.270 475 T C 1.137 175.828 174.700 -0.015 0.000 1.066 475 T CA 1.473 63.519 62.100 -0.089 0.000 1.130 475 T CB -0.338 68.346 68.868 -0.307 0.000 0.864 475 T HN 0.803 nan 8.240 nan 0.000 0.481 476 D N 1.307 121.727 120.400 0.032 0.000 2.378 476 D HA 0.133 4.773 4.640 -0.001 0.000 0.227 476 D C 1.756 178.115 176.300 0.098 0.000 1.012 476 D CA 0.879 54.906 54.000 0.045 0.000 0.905 476 D CB -0.763 40.052 40.800 0.025 0.000 0.895 476 D HN 0.657 nan 8.370 nan 0.000 0.532 477 G N 0.271 109.154 108.800 0.139 0.000 2.234 477 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.235 477 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.235 477 G C 0.440 175.499 174.900 0.265 0.000 0.997 477 G CA 0.471 45.715 45.100 0.240 0.000 0.623 477 G HN 0.862 nan 8.290 nan 0.000 0.514 478 S N -0.377 115.442 115.700 0.198 0.000 2.579 478 S HA 0.629 5.099 4.470 -0.001 0.000 0.275 478 S C 0.027 174.763 174.600 0.227 0.000 1.345 478 S CA 0.123 58.429 58.200 0.177 0.000 1.031 478 S CB 2.268 65.547 63.200 0.132 0.000 0.892 478 S HN 1.165 nan 8.310 nan 0.000 0.529 479 V N 1.665 121.672 119.914 0.155 0.000 2.487 479 V HA 0.713 4.833 4.120 -0.001 0.000 0.298 479 V C 0.194 176.350 176.094 0.104 0.000 1.028 479 V CA -0.672 61.688 62.300 0.100 0.000 0.860 479 V CB 1.334 33.183 31.823 0.043 0.000 0.991 479 V HN 1.194 nan 8.190 nan 0.000 0.427 480 A N 5.267 128.142 122.820 0.090 0.000 2.249 480 A HA 0.793 5.113 4.320 -0.001 0.000 0.314 480 A C -0.882 176.712 177.584 0.017 0.000 1.290 480 A CA -0.332 51.759 52.037 0.090 0.000 0.893 480 A CB 0.653 19.767 19.000 0.190 0.000 1.165 480 A HN 0.848 nan 8.150 nan 0.000 0.530 481 L N 3.216 124.445 121.223 0.010 0.000 2.307 481 L HA 0.622 4.962 4.340 -0.001 0.000 0.284 481 L C -0.549 176.322 176.870 0.002 0.000 1.023 481 L CA -0.221 54.629 54.840 0.015 0.000 0.810 481 L CB 1.367 43.443 42.059 0.029 0.000 1.231 481 L HN 0.734 nan 8.230 nan 0.000 0.423 482 N N 2.360 121.076 118.700 0.026 0.000 2.287 482 N HA 0.448 5.187 4.740 -0.001 0.000 0.289 482 N C -1.420 174.130 175.510 0.066 0.000 1.066 482 N CA -0.279 52.759 53.050 -0.019 0.000 0.841 482 N CB 1.624 40.093 38.487 -0.029 0.000 1.599 482 N HN 0.998 nan 8.380 nan 0.000 0.476 483 H N -0.360 118.736 119.070 0.043 0.000 3.448 483 H HA 0.573 5.129 4.556 -0.001 0.000 0.311 483 H C 0.715 176.086 175.328 0.072 0.000 1.666 483 H CA -0.495 55.589 56.048 0.060 0.000 1.221 483 H CB 0.462 30.261 29.762 0.061 0.000 1.749 483 H HN 0.389 nan 8.280 nan 0.000 0.659 484 G N -1.058 107.910 108.800 0.280 0.000 2.719 484 G HA2 0.281 4.240 3.960 -0.001 0.000 0.211 484 G HA3 0.281 4.240 3.960 -0.001 0.000 0.211 484 G C 0.737 175.751 174.900 0.190 0.000 1.140 484 G CA 0.101 45.305 45.100 0.173 0.000 0.790 484 G HN 0.815 nan 8.290 nan 0.000 0.529 485 G N 0.151 109.201 108.800 0.416 0.000 2.606 485 G HA2 0.437 4.397 3.960 -0.001 0.000 0.252 485 G HA3 0.437 4.397 3.960 -0.001 0.000 0.252 485 G C -0.019 174.980 174.900 0.166 0.000 1.206 485 G CA 0.593 45.855 45.100 0.270 0.000 0.861 485 G HN 0.512 nan 8.290 nan 0.000 0.561 486 T N -1.905 112.677 114.554 0.047 0.000 2.876 486 T HA 0.516 4.865 4.350 -0.001 0.000 0.289 486 T C -0.666 173.956 174.700 -0.130 0.000 1.014 486 T CA -0.832 61.250 62.100 -0.029 0.000 0.986 486 T CB 2.338 71.199 68.868 -0.011 0.000 1.021 486 T HN 0.389 nan 8.240 nan 0.000 0.458 487 E N 2.999 123.080 120.200 -0.199 0.000 2.052 487 E HA 0.299 4.649 4.350 -0.001 0.000 0.283 487 E C 0.765 177.337 176.600 -0.046 0.000 1.071 487 E CA -0.568 55.719 56.400 -0.188 0.000 0.851 487 E CB 0.411 29.989 29.700 -0.202 0.000 1.066 487 E HN 0.748 nan 8.360 nan 0.000 0.396 488 M N 2.054 121.611 119.600 -0.073 0.000 2.346 488 M HA 0.442 4.921 4.480 -0.001 0.000 0.280 488 M C 0.877 177.109 176.300 -0.113 0.000 1.075 488 M CA 0.343 55.577 55.300 -0.109 0.000 0.989 488 M CB 0.666 33.144 32.600 -0.204 0.000 1.447 488 M HN 0.505 nan 8.290 nan 0.000 0.511 489 G N 1.636 110.434 108.800 -0.003 0.000 2.211 489 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.201 489 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.201 489 G C 0.831 175.769 174.900 0.062 0.000 0.997 489 G CA 0.292 45.406 45.100 0.023 0.000 0.652 489 G HN 0.599 nan 8.290 nan 0.000 0.500 490 Q N 1.521 121.331 119.800 0.016 0.000 2.500 490 Q HA 0.244 4.584 4.340 -0.001 0.000 0.213 490 Q C 1.645 177.688 176.000 0.070 0.000 0.974 490 Q CA 1.582 57.394 55.803 0.016 0.000 0.918 490 Q CB -0.609 28.106 28.738 -0.039 0.000 0.980 490 Q HN 1.983 nan 8.270 nan 0.000 0.505 491 G N 1.660 110.550 108.800 0.151 0.000 2.182 491 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.248 491 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.248 491 G C 0.326 175.210 174.900 -0.027 0.000 1.042 491 G CA 0.381 45.545 45.100 0.107 0.000 0.775 491 G HN 0.413 nan 8.290 nan 0.000 0.501 492 L N -0.054 121.129 121.223 -0.067 0.000 2.017 492 L HA 0.042 4.382 4.340 -0.001 0.000 0.208 492 L C 2.527 179.377 176.870 -0.033 0.000 1.073 492 L CA 2.860 57.647 54.840 -0.088 0.000 0.745 492 L CB -0.561 41.422 42.059 -0.128 0.000 0.894 492 L HN 0.405 nan 8.230 nan 0.000 0.432 493 H N 0.123 119.193 119.070 -0.002 0.000 2.290 493 H HA -0.077 4.479 4.556 -0.001 0.000 0.298 493 H C 2.231 177.521 175.328 -0.062 0.000 1.087 493 H CA 1.520 57.579 56.048 0.017 0.000 1.291 493 H CB -0.934 28.816 29.762 -0.019 0.000 1.369 493 H HN 0.488 nan 8.280 nan 0.000 0.492 494 A N 1.566 124.381 122.820 -0.009 0.000 1.903 494 A HA -0.255 4.065 4.320 -0.001 0.000 0.219 494 A C 2.376 179.942 177.584 -0.030 0.000 1.191 494 A CA 2.183 54.187 52.037 -0.056 0.000 0.638 494 A CB -0.452 18.485 19.000 -0.106 0.000 0.823 494 A HN 0.404 nan 8.150 nan 0.000 0.451 495 K N -1.305 119.079 120.400 -0.027 0.000 2.057 495 K HA -0.114 4.206 4.320 -0.001 0.000 0.207 495 K C 2.098 178.680 176.600 -0.030 0.000 1.049 495 K CA 1.496 57.766 56.287 -0.030 0.000 0.931 495 K CB -0.284 32.196 32.500 -0.034 0.000 0.714 495 K HN 0.391 nan 8.250 nan 0.000 0.440 496 M N 0.578 120.158 119.600 -0.033 0.000 2.117 496 M HA -0.122 4.357 4.480 -0.001 0.000 0.262 496 M C 2.349 178.644 176.300 -0.009 0.000 1.065 496 M CA 1.249 56.519 55.300 -0.049 0.000 1.114 496 M CB -0.854 31.688 32.600 -0.096 0.000 1.361 496 M HN -0.070 nan 8.290 nan 0.000 0.408 497 V N 0.537 120.452 119.914 0.001 0.000 2.255 497 V HA -0.305 3.815 4.120 -0.001 0.000 0.247 497 V C 2.413 178.491 176.094 -0.026 0.000 1.051 497 V CA 1.801 64.094 62.300 -0.013 0.000 1.018 497 V CB -0.871 30.938 31.823 -0.023 0.000 0.641 497 V HN 0.516 nan 8.190 nan 0.000 0.445 498 Q N -0.707 119.073 119.800 -0.034 0.000 2.135 498 Q HA -0.184 4.156 4.340 -0.001 0.000 0.204 498 Q C 2.277 178.249 176.000 -0.046 0.000 0.981 498 Q CA 1.854 57.625 55.803 -0.054 0.000 0.856 498 Q CB -0.318 28.381 28.738 -0.065 0.000 0.902 498 Q HN 0.579 nan 8.270 nan 0.000 0.425 499 V N 0.751 120.667 119.914 0.005 0.000 2.244 499 V HA -0.285 3.834 4.120 -0.001 0.000 0.244 499 V C 2.279 178.419 176.094 0.076 0.000 1.042 499 V CA 1.858 64.219 62.300 0.101 0.000 1.006 499 V CB -1.105 30.787 31.823 0.115 0.000 0.641 499 V HN 0.422 nan 8.190 nan 0.000 0.446 500 A N 0.155 122.989 122.820 0.023 0.000 1.892 500 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 500 A C 2.433 180.000 177.584 -0.029 0.000 1.188 500 A CA 2.532 54.569 52.037 -0.000 0.000 0.631 500 A CB -1.001 17.994 19.000 -0.008 0.000 0.822 500 A HN 0.615 nan 8.150 nan 0.000 0.447 501 A N -0.331 122.461 122.820 -0.047 0.000 1.908 501 A HA 0.113 4.433 4.320 -0.001 0.000 0.218 501 A C 2.508 180.050 177.584 -0.070 0.000 1.181 501 A CA 2.309 54.299 52.037 -0.079 0.000 0.627 501 A CB -1.015 17.938 19.000 -0.077 0.000 0.818 501 A HN 1.138 nan 8.150 nan 0.000 0.445 502 A N -0.704 122.085 122.820 -0.051 0.000 1.930 502 A HA 0.036 4.355 4.320 -0.001 0.000 0.217 502 A C 2.155 179.758 177.584 0.031 0.000 1.175 502 A CA 1.707 53.714 52.037 -0.050 0.000 0.627 502 A CB -0.785 18.119 19.000 -0.160 0.000 0.815 502 A HN 0.428 nan 8.150 nan 0.000 0.443 503 V N -0.323 119.631 119.914 0.066 0.000 2.667 503 V HA -0.126 3.994 4.120 -0.001 0.000 0.252 503 V C 2.130 178.210 176.094 -0.022 0.000 1.065 503 V CA 1.583 63.919 62.300 0.061 0.000 1.083 503 V CB -0.529 31.322 31.823 0.047 0.000 0.692 503 V HN 0.540 nan 8.190 nan 0.000 0.468 504 L N -0.134 121.057 121.223 -0.054 0.000 2.590 504 L HA 0.416 4.755 4.340 -0.001 0.000 0.227 504 L C 1.609 178.474 176.870 -0.010 0.000 1.099 504 L CA 0.734 55.514 54.840 -0.100 0.000 0.872 504 L CB -0.095 41.862 42.059 -0.169 0.000 1.088 504 L HN 0.471 nan 8.230 nan 0.000 0.479 505 G N 2.123 110.921 108.800 -0.002 0.000 2.225 505 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.264 505 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.264 505 G C 0.061 174.928 174.900 -0.055 0.000 1.060 505 G CA 0.609 45.738 45.100 0.049 0.000 0.833 505 G HN 0.461 nan 8.290 nan 0.000 0.498 506 I N -3.861 116.602 120.570 -0.178 0.000 3.067 506 I HA 0.738 4.908 4.170 -0.001 0.000 0.312 506 I C -0.089 175.948 176.117 -0.135 0.000 1.073 506 I CA -1.582 59.579 61.300 -0.230 0.000 1.016 506 I CB 1.713 39.424 38.000 -0.482 0.000 1.227 506 I HN -0.038 nan 8.210 nan 0.000 0.456 507 D N 3.807 124.146 120.400 -0.101 0.000 2.424 507 D HA 0.140 4.780 4.640 -0.001 0.000 0.244 507 D C -1.596 174.661 176.300 -0.072 0.000 1.134 507 D CA -1.633 52.327 54.000 -0.068 0.000 0.881 507 D CB 1.622 42.396 40.800 -0.043 0.000 1.191 507 D HN 0.356 nan 8.370 nan 0.000 0.445 508 P HA -0.173 nan 4.420 nan 0.000 0.217 508 P C 1.672 178.946 177.300 -0.044 0.000 1.148 508 P CA 0.598 63.665 63.100 -0.054 0.000 0.834 508 P CB 0.256 31.926 31.700 -0.049 0.000 0.783 509 V N 0.445 120.336 119.914 -0.038 0.000 2.392 509 V HA -0.232 3.887 4.120 -0.001 0.000 0.249 509 V C 2.601 178.682 176.094 -0.022 0.000 1.059 509 V CA 1.739 64.023 62.300 -0.027 0.000 1.051 509 V CB -1.200 30.610 31.823 -0.021 0.000 0.658 509 V HN 0.145 nan 8.190 nan 0.000 0.455 510 Q N -0.381 119.401 119.800 -0.029 0.000 2.437 510 Q HA 0.013 4.353 4.340 -0.001 0.000 0.210 510 Q C 0.487 176.481 176.000 -0.009 0.000 0.972 510 Q CA 0.557 56.349 55.803 -0.018 0.000 0.903 510 Q CB -0.131 28.576 28.738 -0.053 0.000 0.967 510 Q HN 0.523 nan 8.270 nan 0.000 0.486 511 V N 1.435 121.335 119.914 -0.023 0.000 2.398 511 V HA 0.356 4.476 4.120 -0.001 0.000 0.286 511 V C -0.035 176.050 176.094 -0.016 0.000 1.026 511 V CA -0.851 61.440 62.300 -0.015 0.000 0.868 511 V CB 1.806 33.612 31.823 -0.029 0.000 0.982 511 V HN -0.001 nan 8.190 nan 0.000 0.443 512 R N 3.723 124.221 120.500 -0.004 0.000 2.604 512 R HA 0.673 5.013 4.340 -0.001 0.000 0.287 512 R C -1.011 175.259 176.300 -0.049 0.000 0.970 512 R CA -0.561 55.524 56.100 -0.024 0.000 0.946 512 R CB 1.497 31.794 30.300 -0.006 0.000 1.127 512 R HN 0.662 nan 8.270 nan 0.000 0.473 513 I N 3.111 123.618 120.570 -0.105 0.000 2.353 513 I HA 0.357 4.527 4.170 -0.001 0.000 0.293 513 I C -0.481 175.515 176.117 -0.202 0.000 0.992 513 I CA 0.220 61.402 61.300 -0.196 0.000 1.268 513 I CB 1.524 39.300 38.000 -0.374 0.000 1.387 513 I HN 0.871 nan 8.210 nan 0.000 0.478 514 T N 4.516 118.960 114.554 -0.183 0.000 2.927 514 T HA 0.824 5.174 4.350 -0.001 0.000 0.281 514 T C 0.273 174.862 174.700 -0.185 0.000 0.998 514 T CA -0.619 61.398 62.100 -0.139 0.000 1.019 514 T CB 1.178 70.004 68.868 -0.071 0.000 1.061 514 T HN 0.863 nan 8.240 nan 0.000 0.518 515 A N 1.726 124.483 122.820 -0.106 0.000 2.466 515 A HA 0.476 4.796 4.320 -0.001 0.000 0.238 515 A C 0.836 178.383 177.584 -0.063 0.000 1.074 515 A CA -0.535 51.465 52.037 -0.062 0.000 0.774 515 A CB -0.636 18.356 19.000 -0.014 0.000 1.015 515 A HN 0.901 nan 8.150 nan 0.000 0.498 516 T N 2.190 116.724 114.554 -0.034 0.000 2.888 516 T HA 0.342 4.691 4.350 -0.001 0.000 0.301 516 T C -0.334 174.357 174.700 -0.015 0.000 1.001 516 T CA 0.373 62.448 62.100 -0.042 0.000 1.147 516 T CB 0.185 69.045 68.868 -0.013 0.000 0.931 516 T HN 0.627 nan 8.240 nan 0.000 0.541 517 D N 1.643 122.034 120.400 -0.016 0.000 2.891 517 D HA 0.134 4.774 4.640 -0.001 0.000 0.224 517 D C 1.159 177.460 176.300 0.002 0.000 1.321 517 D CA -0.441 53.554 54.000 -0.009 0.000 0.929 517 D CB 1.767 42.560 40.800 -0.010 0.000 1.551 517 D HN 0.521 nan 8.370 nan 0.000 0.574 518 T N -0.268 114.286 114.554 -0.000 0.000 2.962 518 T HA -0.123 4.227 4.350 -0.001 0.000 0.270 518 T C 1.592 176.303 174.700 0.020 0.000 1.088 518 T CA 1.472 63.580 62.100 0.013 0.000 1.127 518 T CB -0.072 68.792 68.868 -0.006 0.000 0.883 518 T HN 0.249 nan 8.240 nan 0.000 0.493 519 S N 0.567 116.272 115.700 0.008 0.000 2.528 519 S HA 0.211 4.681 4.470 -0.001 0.000 0.219 519 S C 1.830 176.440 174.600 0.016 0.000 0.985 519 S CA -0.274 57.934 58.200 0.013 0.000 0.914 519 S CB -0.138 63.063 63.200 0.001 0.000 0.776 519 S HN 0.541 nan 8.310 nan 0.000 0.526 520 K N 0.496 120.905 120.400 0.015 0.000 2.078 520 K HA 0.255 4.575 4.320 -0.001 0.000 0.203 520 K C -0.276 176.344 176.600 0.034 0.000 1.043 520 K CA 0.682 56.980 56.287 0.018 0.000 0.960 520 K CB 0.200 32.704 32.500 0.007 0.000 0.761 520 K HN 0.185 nan 8.250 nan 0.000 0.448 521 V N 3.859 123.798 119.914 0.042 0.000 2.483 521 V HA 0.283 4.403 4.120 -0.001 0.000 0.297 521 V C -2.581 173.560 176.094 0.078 0.000 1.027 521 V CA -1.836 60.506 62.300 0.070 0.000 0.855 521 V CB 1.727 33.600 31.823 0.084 0.000 0.995 521 V HN 0.138 nan 8.190 nan 0.000 0.424 522 P HA 0.475 nan 4.420 nan 0.000 0.287 522 P C -0.507 176.867 177.300 0.123 0.000 1.290 522 P CA -0.646 62.510 63.100 0.094 0.000 0.889 522 P CB 0.956 32.705 31.700 0.082 0.000 1.190 523 N N -1.753 117.024 118.700 0.128 0.000 2.740 523 N HA -0.105 4.634 4.740 -0.001 0.000 0.248 523 N C -0.120 175.488 175.510 0.163 0.000 1.062 523 N CA 1.217 54.358 53.050 0.151 0.000 0.704 523 N CB -2.277 36.296 38.487 0.143 0.000 0.968 523 N HN 0.673 nan 8.380 nan 0.000 0.547 524 T N -3.282 111.365 114.554 0.155 0.000 2.913 524 T HA 0.568 4.918 4.350 -0.001 0.000 0.287 524 T C 0.923 175.696 174.700 0.121 0.000 1.008 524 T CA -0.584 61.594 62.100 0.130 0.000 1.067 524 T CB 1.928 70.863 68.868 0.112 0.000 0.996 524 T HN 0.089 nan 8.240 nan 0.000 0.513 525 S N 0.731 116.414 115.700 -0.028 0.000 2.633 525 S HA 0.555 5.024 4.470 -0.001 0.000 0.257 525 S C 0.797 174.947 174.600 -0.749 0.000 1.265 525 S CA -0.526 57.502 58.200 -0.287 0.000 0.980 525 S CB -0.045 62.929 63.200 -0.376 0.000 1.017 525 S HN 1.134 nan 8.310 nan 0.000 0.577 526 A N 0.999 123.095 122.820 -1.206 0.000 2.371 526 A HA 0.432 4.751 4.320 -0.001 0.000 0.257 526 A C 0.283 177.759 177.584 -0.181 0.000 1.089 526 A CA -0.448 51.085 52.037 -0.840 0.000 0.794 526 A CB -0.226 18.508 19.000 -0.444 0.000 1.029 526 A HN 0.654 nan 8.150 nan 0.000 0.488 527 T N 1.916 116.413 114.554 -0.096 0.000 2.848 527 T HA 0.522 4.872 4.350 -0.001 0.000 0.283 527 T C 0.205 174.894 174.700 -0.018 0.000 0.919 527 T CA 0.828 62.917 62.100 -0.018 0.000 1.071 527 T CB -0.532 68.321 68.868 -0.024 0.000 0.912 527 T HN 1.356 nan 8.240 nan 0.000 0.570 528 A N 2.172 124.991 122.820 -0.002 0.000 2.540 528 A HA 0.823 5.143 4.320 -0.001 0.000 0.291 528 A C 0.441 177.793 177.584 -0.387 0.000 1.083 528 A CA -0.392 51.587 52.037 -0.096 0.000 0.650 528 A CB 0.078 19.075 19.000 -0.005 0.000 1.292 528 A HN 1.652 nan 8.150 nan 0.000 0.435 529 A N -0.478 122.073 122.820 -0.449 0.000 2.860 529 A HA 0.101 4.421 4.320 -0.001 0.000 0.267 529 A C 1.012 178.374 177.584 -0.370 0.000 1.421 529 A CA 1.730 53.434 52.037 -0.554 0.000 0.831 529 A CB -2.585 15.720 19.000 -1.158 0.000 1.041 529 A HN 2.529 nan 8.150 nan 0.000 0.623 530 S N -2.328 113.228 115.700 -0.240 0.000 3.559 530 S HA -0.253 4.217 4.470 -0.001 0.000 0.369 530 S C 1.165 175.674 174.600 -0.151 0.000 0.987 530 S CA 1.649 59.753 58.200 -0.160 0.000 1.187 530 S CB -1.941 61.183 63.200 -0.127 0.000 0.914 530 S HN 2.397 nan 8.310 nan 0.000 0.480 531 S N -0.708 114.880 115.700 -0.187 0.000 2.506 531 S HA 0.306 4.776 4.470 -0.001 0.000 0.219 531 S C 2.096 176.671 174.600 -0.042 0.000 1.031 531 S CA 0.530 58.657 58.200 -0.121 0.000 0.911 531 S CB -0.263 62.825 63.200 -0.185 0.000 0.812 531 S HN 0.768 nan 8.310 nan 0.000 0.497 532 G N 2.500 111.272 108.800 -0.046 0.000 2.574 532 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.220 532 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.220 532 G C 1.661 176.522 174.900 -0.064 0.000 1.173 532 G CA 1.433 46.513 45.100 -0.033 0.000 0.772 532 G HN 0.825 nan 8.290 nan 0.000 0.585 533 A N 0.846 123.627 122.820 -0.065 0.000 1.898 533 A HA 0.004 4.324 4.320 -0.001 0.000 0.216 533 A C 2.102 179.642 177.584 -0.074 0.000 1.181 533 A CA 2.209 54.203 52.037 -0.073 0.000 0.620 533 A CB -0.468 18.506 19.000 -0.044 0.000 0.819 533 A HN 0.358 nan 8.150 nan 0.000 0.442 534 D N -0.228 120.147 120.400 -0.042 0.000 2.078 534 D HA -0.146 4.494 4.640 -0.001 0.000 0.193 534 D C 2.106 178.331 176.300 -0.124 0.000 0.990 534 D CA 1.915 55.887 54.000 -0.047 0.000 0.827 534 D CB -0.259 40.569 40.800 0.048 0.000 0.975 534 D HN 0.491 nan 8.370 nan 0.000 0.451 535 M N -0.234 119.346 119.600 -0.034 0.000 2.357 535 M HA 0.035 4.515 4.480 -0.001 0.000 0.266 535 M C 1.607 177.877 176.300 -0.050 0.000 1.095 535 M CA 0.583 55.907 55.300 0.041 0.000 1.156 535 M CB -0.072 32.642 32.600 0.189 0.000 1.365 535 M HN -0.052 nan 8.290 nan 0.000 0.447 536 N N 1.004 119.664 118.700 -0.068 0.000 2.188 536 N HA -0.072 4.668 4.740 -0.001 0.000 0.184 536 N C 1.902 177.316 175.510 -0.160 0.000 1.018 536 N CA 1.616 54.603 53.050 -0.105 0.000 0.858 536 N CB -0.452 37.922 38.487 -0.187 0.000 0.989 536 N HN 0.435 nan 8.380 nan 0.000 0.426 537 G N 1.579 110.272 108.800 -0.179 0.000 2.440 537 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 537 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.218 537 G C 1.557 176.329 174.900 -0.213 0.000 1.154 537 G CA 0.645 45.644 45.100 -0.167 0.000 0.767 537 G HN 0.159 nan 8.290 nan 0.000 0.552 538 M N 0.870 120.268 119.600 -0.337 0.000 2.156 538 M HA 0.153 4.632 4.480 -0.001 0.000 0.264 538 M C 3.036 179.207 176.300 -0.214 0.000 1.067 538 M CA 1.184 56.215 55.300 -0.449 0.000 1.131 538 M CB -1.140 30.780 32.600 -1.132 0.000 1.368 538 M HN 0.309 nan 8.290 nan 0.000 0.416 539 A N -0.024 122.726 122.820 -0.116 0.000 1.933 539 A HA -0.061 4.259 4.320 -0.001 0.000 0.218 539 A C 2.436 180.021 177.584 0.001 0.000 1.175 539 A CA 1.509 53.542 52.037 -0.007 0.000 0.628 539 A CB -0.888 18.122 19.000 0.018 0.000 0.814 539 A HN 0.282 nan 8.150 nan 0.000 0.444 540 V N 0.171 120.066 119.914 -0.032 0.000 2.270 540 V HA -0.264 3.856 4.120 -0.001 0.000 0.245 540 V C 2.495 178.573 176.094 -0.027 0.000 1.043 540 V CA 2.327 64.618 62.300 -0.015 0.000 1.014 540 V CB -0.660 31.144 31.823 -0.032 0.000 0.645 540 V HN 0.685 nan 8.190 nan 0.000 0.447 541 K N -0.185 120.175 120.400 -0.066 0.000 2.218 541 K HA -0.287 4.032 4.320 -0.001 0.000 0.205 541 K C 1.799 178.363 176.600 -0.059 0.000 1.046 541 K CA 2.022 58.261 56.287 -0.081 0.000 0.933 541 K CB -0.209 32.185 32.500 -0.176 0.000 0.728 541 K HN 0.534 nan 8.250 nan 0.000 0.454 542 D N -0.322 120.058 120.400 -0.034 0.000 2.103 542 D HA -0.034 4.606 4.640 -0.001 0.000 0.199 542 D C 1.683 177.990 176.300 0.012 0.000 0.978 542 D CA 1.364 55.366 54.000 0.004 0.000 0.829 542 D CB -0.047 40.784 40.800 0.052 0.000 0.981 542 D HN 0.269 nan 8.370 nan 0.000 0.464 543 A N -0.451 122.381 122.820 0.019 0.000 1.972 543 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 543 A C 2.501 180.083 177.584 -0.003 0.000 1.169 543 A CA 1.437 53.484 52.037 0.017 0.000 0.635 543 A CB -0.864 18.152 19.000 0.027 0.000 0.810 543 A HN 0.480 nan 8.150 nan 0.000 0.446 544 C N -0.908 118.385 119.300 -0.012 0.000 2.475 544 C HA 0.002 4.462 4.460 -0.001 0.000 0.279 544 C C 2.551 177.511 174.990 -0.050 0.000 1.322 544 C CA 0.862 59.864 59.018 -0.027 0.000 1.734 544 C CB -1.111 26.614 27.740 -0.024 0.000 2.005 544 C HN 0.665 nan 8.230 nan 0.000 0.495 545 E N 0.550 120.723 120.200 -0.045 0.000 2.150 545 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 545 E C 2.051 178.625 176.600 -0.043 0.000 0.985 545 E CA 1.457 57.825 56.400 -0.053 0.000 0.814 545 E CB -0.172 29.503 29.700 -0.041 0.000 0.752 545 E HN 0.609 nan 8.360 nan 0.000 0.466 546 T N 1.334 115.873 114.554 -0.025 0.000 2.821 546 T HA -0.093 4.256 4.350 -0.001 0.000 0.267 546 T C 1.921 176.605 174.700 -0.027 0.000 1.046 546 T CA 0.704 62.794 62.100 -0.016 0.000 1.139 546 T CB -0.057 68.810 68.868 -0.002 0.000 0.871 546 T HN 0.073 nan 8.240 nan 0.000 0.454 547 L N 0.319 121.521 121.223 -0.035 0.000 2.007 547 L HA 0.020 4.359 4.340 -0.001 0.000 0.205 547 L C 2.959 179.784 176.870 -0.075 0.000 1.073 547 L CA 1.097 55.914 54.840 -0.039 0.000 0.744 547 L CB -0.478 41.569 42.059 -0.020 0.000 0.898 547 L HN 0.051 nan 8.230 nan 0.000 0.435 548 R N 0.376 120.787 120.500 -0.149 0.000 2.174 548 R HA -0.208 4.132 4.340 -0.001 0.000 0.253 548 R C 2.046 178.229 176.300 -0.197 0.000 1.165 548 R CA 1.717 57.608 56.100 -0.349 0.000 0.984 548 R CB -0.627 29.436 30.300 -0.395 0.000 0.873 548 R HN 0.512 nan 8.270 nan 0.000 0.456 549 G N 0.301 109.052 108.800 -0.082 0.000 2.404 549 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.215 549 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.215 549 G C 1.507 176.423 174.900 0.027 0.000 1.174 549 G CA 0.620 45.713 45.100 -0.013 0.000 0.780 549 G HN 0.340 nan 8.290 nan 0.000 0.537 550 R N -0.087 120.422 120.500 0.016 0.000 2.081 550 R HA 0.098 4.438 4.340 -0.001 0.000 0.235 550 R C 2.633 178.991 176.300 0.098 0.000 1.131 550 R CA 0.924 57.046 56.100 0.037 0.000 0.960 550 R CB -0.508 29.791 30.300 -0.001 0.000 0.856 550 R HN 0.306 nan 8.270 nan 0.000 0.436 551 L N 0.161 121.449 121.223 0.108 0.000 2.046 551 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 551 L C 2.694 179.771 176.870 0.345 0.000 1.077 551 L CA 1.214 56.198 54.840 0.241 0.000 0.747 551 L CB -0.634 41.597 42.059 0.286 0.000 0.896 551 L HN 0.276 nan 8.230 nan 0.000 0.432 552 A N 0.448 123.466 122.820 0.331 0.000 1.877 552 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 552 A C 2.413 180.088 177.584 0.151 0.000 1.186 552 A CA 1.795 54.015 52.037 0.305 0.000 0.620 552 A CB -1.328 17.844 19.000 0.287 0.000 0.822 552 A HN 0.436 nan 8.150 nan 0.000 0.443 553 G N -1.243 107.634 108.800 0.128 0.000 2.422 553 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 553 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 553 G C 1.450 176.402 174.900 0.087 0.000 1.146 553 G CA 1.225 46.377 45.100 0.087 0.000 0.769 553 G HN 0.545 nan 8.290 nan 0.000 0.547 554 F N 1.414 121.352 119.950 -0.020 0.000 2.084 554 F HA -0.041 4.486 4.527 -0.001 0.000 0.296 554 F C 2.597 178.339 175.800 -0.096 0.000 1.111 554 F CA 1.426 59.392 58.000 -0.057 0.000 1.224 554 F CB -0.469 38.491 39.000 -0.067 0.000 0.991 554 F HN -0.008 nan 8.300 nan 0.000 0.471 555 V N 1.032 120.727 119.914 -0.364 0.000 2.343 555 V HA -0.297 3.823 4.120 -0.001 0.000 0.247 555 V C 2.828 178.727 176.094 -0.325 0.000 1.051 555 V CA 1.800 63.792 62.300 -0.512 0.000 1.036 555 V CB -1.711 29.912 31.823 -0.335 0.000 0.654 555 V HN 0.532 nan 8.190 nan 0.000 0.451 556 A N -0.014 122.715 122.820 -0.152 0.000 1.902 556 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 556 A C 2.411 179.932 177.584 -0.105 0.000 1.181 556 A CA 2.212 54.199 52.037 -0.084 0.000 0.623 556 A CB -0.747 18.243 19.000 -0.016 0.000 0.818 556 A HN 0.571 nan 8.150 nan 0.000 0.443 557 A N -0.898 121.846 122.820 -0.126 0.000 1.897 557 A HA -0.093 4.227 4.320 -0.001 0.000 0.215 557 A C 2.271 179.756 177.584 -0.164 0.000 1.181 557 A CA 1.413 53.384 52.037 -0.109 0.000 0.620 557 A CB -0.464 18.496 19.000 -0.066 0.000 0.821 557 A HN 0.407 nan 8.150 nan 0.000 0.443 558 R N -0.288 120.025 120.500 -0.312 0.000 2.189 558 R HA -0.069 4.270 4.340 -0.001 0.000 0.223 558 R C 0.513 176.679 176.300 -0.224 0.000 1.092 558 R CA 1.329 57.224 56.100 -0.342 0.000 0.989 558 R CB -0.006 29.892 30.300 -0.670 0.000 0.876 558 R HN 0.481 nan 8.270 nan 0.000 0.457 559 E N -0.955 119.131 120.200 -0.191 0.000 2.526 559 E HA 0.113 4.463 4.350 -0.001 0.000 0.208 559 E C 0.107 176.681 176.600 -0.042 0.000 0.997 559 E CA 0.433 56.785 56.400 -0.081 0.000 0.961 559 E CB 0.859 30.538 29.700 -0.035 0.000 1.030 559 E HN 0.413 nan 8.360 nan 0.000 0.483 560 G N 2.597 111.363 108.800 -0.058 0.000 2.392 560 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.256 560 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.256 560 G C 0.264 175.155 174.900 -0.015 0.000 0.920 560 G CA 0.406 45.487 45.100 -0.032 0.000 1.316 560 G HN 0.460 nan 8.290 nan 0.000 0.416 561 C N -1.123 118.168 119.300 -0.014 0.000 3.132 561 C HA 0.917 5.377 4.460 -0.001 0.000 0.336 561 C C 0.666 175.659 174.990 0.004 0.000 1.387 561 C CA -0.503 58.515 59.018 -0.000 0.000 1.202 561 C CB 0.939 28.684 27.740 0.008 0.000 1.451 561 C HN 2.524 nan 8.230 nan 0.000 0.433 562 A N 0.728 123.556 122.820 0.014 0.000 2.488 562 A HA 0.585 4.904 4.320 -0.001 0.000 0.249 562 A C 1.430 179.034 177.584 0.032 0.000 1.083 562 A CA 0.635 52.685 52.037 0.021 0.000 0.768 562 A CB 0.055 19.070 19.000 0.024 0.000 1.017 562 A HN 2.512 nan 8.150 nan 0.000 0.496 563 A N 2.782 125.624 122.820 0.037 0.000 1.972 563 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 563 A C 2.022 179.655 177.584 0.082 0.000 1.169 563 A CA 1.661 53.733 52.037 0.059 0.000 0.635 563 A CB -0.418 18.618 19.000 0.059 0.000 0.810 563 A HN 0.992 nan 8.150 nan 0.000 0.446 564 R N -0.848 119.692 120.500 0.066 0.000 2.339 564 R HA -0.003 4.336 4.340 -0.001 0.000 0.199 564 R C -0.052 176.293 176.300 0.075 0.000 1.018 564 R CA 1.343 57.486 56.100 0.072 0.000 1.036 564 R CB -0.284 30.047 30.300 0.052 0.000 0.899 564 R HN 0.219 nan 8.270 nan 0.000 0.473 565 D N 0.541 120.982 120.400 0.068 0.000 2.360 565 D HA 0.075 4.714 4.640 -0.001 0.000 0.210 565 D C -0.150 176.194 176.300 0.074 0.000 1.047 565 D CA 0.138 54.175 54.000 0.062 0.000 0.854 565 D CB 0.610 41.436 40.800 0.044 0.000 0.936 565 D HN -0.010 nan 8.370 nan 0.000 0.514 566 V N 2.223 122.194 119.914 0.096 0.000 2.470 566 V HA 0.161 4.281 4.120 -0.001 0.000 0.276 566 V C 0.460 176.643 176.094 0.148 0.000 1.040 566 V CA -0.195 62.162 62.300 0.096 0.000 1.008 566 V CB 0.806 32.702 31.823 0.122 0.000 0.990 566 V HN -0.055 nan 8.190 nan 0.000 0.477 567 I N 5.676 126.284 120.570 0.064 0.000 2.355 567 I HA 0.428 4.598 4.170 -0.001 0.000 0.288 567 I C -0.654 175.490 176.117 0.045 0.000 0.999 567 I CA -0.152 61.219 61.300 0.118 0.000 1.163 567 I CB 1.139 39.188 38.000 0.082 0.000 1.316 567 I HN 0.339 nan 8.210 nan 0.000 0.454 568 F N 4.266 124.289 119.950 0.122 0.000 2.410 568 F HA 0.540 5.067 4.527 -0.001 0.000 0.349 568 F C 0.103 175.962 175.800 0.098 0.000 1.117 568 F CA -0.268 57.822 58.000 0.149 0.000 1.104 568 F CB 1.071 40.177 39.000 0.176 0.000 1.122 568 F HN 0.441 nan 8.300 nan 0.000 0.483 569 D N 0.879 121.405 120.400 0.210 0.000 2.706 569 D HA 0.481 5.121 4.640 -0.001 0.000 0.227 569 D C -0.613 175.736 176.300 0.081 0.000 1.233 569 D CA -0.073 53.999 54.000 0.121 0.000 0.768 569 D CB 1.544 42.395 40.800 0.084 0.000 1.490 569 D HN 0.692 nan 8.370 nan 0.000 0.458 570 A N 1.963 124.808 122.820 0.043 0.000 2.665 570 A HA 0.163 4.482 4.320 -0.001 0.000 0.301 570 A C 1.574 179.180 177.584 0.036 0.000 1.509 570 A CA 2.225 54.276 52.037 0.023 0.000 0.789 570 A CB -2.201 16.809 19.000 0.017 0.000 1.024 570 A HN 2.002 nan 8.150 nan 0.000 0.460 571 G N -2.709 106.117 108.800 0.042 0.000 2.168 571 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.263 571 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.263 571 G C -0.121 174.881 174.900 0.169 0.000 0.977 571 G CA 0.919 46.069 45.100 0.082 0.000 0.659 571 G HN 1.435 nan 8.290 nan 0.000 0.533 572 Q N -0.254 119.634 119.800 0.148 0.000 2.337 572 Q HA 0.600 4.940 4.340 -0.001 0.000 0.270 572 Q C -0.257 175.805 176.000 0.104 0.000 1.043 572 Q CA -0.663 55.220 55.803 0.133 0.000 0.794 572 Q CB 2.655 31.434 28.738 0.068 0.000 1.281 572 Q HN 0.215 nan 8.270 nan 0.000 0.446 573 V N 2.728 122.695 119.914 0.088 0.000 2.439 573 V HA 0.330 4.449 4.120 -0.001 0.000 0.282 573 V C -0.073 176.076 176.094 0.092 0.000 1.039 573 V CA -0.459 61.774 62.300 -0.111 0.000 0.913 573 V CB 1.422 33.084 31.823 -0.268 0.000 0.983 573 V HN 0.627 nan 8.190 nan 0.000 0.460 574 Q N 2.963 122.766 119.800 0.006 0.000 2.337 574 Q HA 0.824 5.163 4.340 -0.001 0.000 0.270 574 Q C -0.772 175.297 176.000 0.116 0.000 1.043 574 Q CA -0.578 55.274 55.803 0.082 0.000 0.794 574 Q CB 2.677 31.425 28.738 0.016 0.000 1.281 574 Q HN 0.916 nan 8.270 nan 0.000 0.446 575 A N 0.665 123.617 122.820 0.219 0.000 2.605 575 A HA 0.586 4.906 4.320 -0.001 0.000 0.294 575 A C 0.024 177.705 177.584 0.161 0.000 1.062 575 A CA -0.307 51.837 52.037 0.179 0.000 0.682 575 A CB 1.344 20.446 19.000 0.171 0.000 1.278 575 A HN 0.666 nan 8.150 nan 0.000 0.410 576 S N -0.415 115.338 115.700 0.089 0.000 3.146 576 S HA -0.150 4.319 4.470 -0.001 0.000 0.285 576 S C 1.860 176.467 174.600 0.011 0.000 1.293 576 S CA 2.594 60.828 58.200 0.057 0.000 1.137 576 S CB -1.460 61.794 63.200 0.091 0.000 1.357 576 S HN 2.892 nan 8.310 nan 0.000 0.678 577 G N -0.249 108.544 108.800 -0.012 0.000 2.217 577 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.246 577 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.246 577 G C -0.067 174.758 174.900 -0.125 0.000 0.990 577 G CA 0.697 45.765 45.100 -0.053 0.000 0.627 577 G HN 0.654 nan 8.290 nan 0.000 0.522 578 K N 0.529 120.815 120.400 -0.190 0.000 2.109 578 K HA 0.710 5.030 4.320 -0.001 0.000 0.243 578 K C 0.294 176.512 176.600 -0.636 0.000 1.006 578 K CA 0.139 56.146 56.287 -0.467 0.000 0.917 578 K CB 1.449 33.572 32.500 -0.627 0.000 1.081 578 K HN 0.541 nan 8.250 nan 0.000 0.468 579 S N -0.321 114.836 115.700 -0.906 0.000 2.546 579 S HA 0.582 5.052 4.470 -0.001 0.000 0.274 579 S C -1.414 172.738 174.600 -0.746 0.000 1.121 579 S CA -1.061 56.779 58.200 -0.600 0.000 0.887 579 S CB 1.065 64.113 63.200 -0.253 0.000 1.094 579 S HN 0.590 nan 8.310 nan 0.000 0.474 580 W N 0.705 121.978 121.300 -0.044 0.000 2.975 580 W HA 0.513 5.173 4.660 -0.000 0.000 0.342 580 W C 0.278 176.798 176.519 0.002 0.000 1.168 580 W CA -1.020 56.311 57.345 -0.023 0.000 1.141 580 W CB 1.937 31.377 29.460 -0.033 0.000 1.445 580 W HN 0.595 nan 8.180 nan 0.000 0.560 581 R N 0.533 121.191 120.500 0.263 0.000 2.679 581 R HA 0.081 4.421 4.340 -0.001 0.000 0.269 581 R C 1.181 177.632 176.300 0.252 0.000 1.076 581 R CA -0.374 55.857 56.100 0.217 0.000 1.160 581 R CB 0.512 30.914 30.300 0.170 0.000 1.054 581 R HN 0.410 nan 8.270 nan 0.000 0.507 582 F N 1.915 121.937 119.950 0.120 0.000 2.069 582 F HA -0.249 4.277 4.527 -0.001 0.000 0.298 582 F C 2.097 177.972 175.800 0.124 0.000 1.113 582 F CA 2.241 60.322 58.000 0.135 0.000 1.214 582 F CB -0.312 38.775 39.000 0.146 0.000 0.978 582 F HN 0.668 nan 8.300 nan 0.000 0.474 583 A N -0.205 122.743 122.820 0.214 0.000 1.933 583 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 583 A C 2.121 179.721 177.584 0.027 0.000 1.175 583 A CA 1.815 53.911 52.037 0.098 0.000 0.628 583 A CB -0.902 18.181 19.000 0.139 0.000 0.814 583 A HN 0.568 nan 8.150 nan 0.000 0.444 584 E N -0.503 119.741 120.200 0.072 0.000 2.118 584 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 584 E C 1.776 178.377 176.600 0.001 0.000 0.992 584 E CA 1.160 57.606 56.400 0.077 0.000 0.804 584 E CB -0.194 29.615 29.700 0.182 0.000 0.741 584 E HN 0.555 nan 8.360 nan 0.000 0.458 585 I N 0.377 120.905 120.570 -0.069 0.000 2.286 585 I HA -0.168 4.002 4.170 -0.001 0.000 0.245 585 I C 2.413 178.456 176.117 -0.124 0.000 1.104 585 I CA 0.789 62.023 61.300 -0.109 0.000 1.397 585 I CB -1.038 36.856 38.000 -0.177 0.000 1.072 585 I HN -0.013 nan 8.210 nan 0.000 0.417 586 V N 1.514 121.296 119.914 -0.220 0.000 2.343 586 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 586 V C 2.830 178.869 176.094 -0.093 0.000 1.051 586 V CA 1.853 64.034 62.300 -0.200 0.000 1.036 586 V CB -1.112 30.590 31.823 -0.202 0.000 0.654 586 V HN 0.442 nan 8.190 nan 0.000 0.451 587 A N -0.190 122.607 122.820 -0.039 0.000 1.933 587 A HA -0.076 4.244 4.320 -0.001 0.000 0.218 587 A C 2.405 180.018 177.584 0.048 0.000 1.175 587 A CA 1.997 54.051 52.037 0.028 0.000 0.628 587 A CB -0.701 18.317 19.000 0.029 0.000 0.814 587 A HN 0.562 nan 8.150 nan 0.000 0.444 588 A N -0.121 122.696 122.820 -0.004 0.000 1.873 588 A HA 0.200 4.519 4.320 -0.001 0.000 0.215 588 A C 2.480 179.878 177.584 -0.310 0.000 1.186 588 A CA 1.942 53.988 52.037 0.015 0.000 0.616 588 A CB -0.986 18.130 19.000 0.192 0.000 0.823 588 A HN 1.055 nan 8.150 nan 0.000 0.442 589 A N -1.653 120.755 122.820 -0.687 0.000 2.015 589 A HA -0.056 4.264 4.320 -0.001 0.000 0.219 589 A C 2.063 179.348 177.584 -0.498 0.000 1.163 589 A CA 1.564 52.918 52.037 -1.139 0.000 0.646 589 A CB -0.719 17.750 19.000 -0.885 0.000 0.806 589 A HN 0.760 nan 8.150 nan 0.000 0.448 590 Y N 0.087 120.188 120.300 -0.331 0.000 2.163 590 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 590 Y C 2.253 178.057 175.900 -0.160 0.000 1.136 590 Y CA 2.094 60.077 58.100 -0.195 0.000 1.147 590 Y CB -0.268 38.121 38.460 -0.118 0.000 0.987 590 Y HN 0.210 nan 8.280 nan 0.000 0.509 591 M N 0.408 119.871 119.600 -0.228 0.000 2.108 591 M HA -0.163 4.316 4.480 -0.001 0.000 0.261 591 M C 2.298 178.444 176.300 -0.258 0.000 1.066 591 M CA 1.716 56.871 55.300 -0.243 0.000 1.107 591 M CB -1.845 30.728 32.600 -0.044 0.000 1.356 591 M HN 0.485 nan 8.290 nan 0.000 0.406 592 A N -0.390 122.277 122.820 -0.255 0.000 2.239 592 A HA -0.004 4.316 4.320 -0.001 0.000 0.209 592 A C 0.704 178.155 177.584 -0.221 0.000 1.171 592 A CA 0.112 52.034 52.037 -0.193 0.000 0.768 592 A CB -0.562 18.329 19.000 -0.183 0.000 0.790 592 A HN 0.586 nan 8.150 nan 0.000 0.478 593 R N -1.582 118.735 120.500 -0.305 0.000 3.152 593 R HA -0.148 4.192 4.340 -0.001 0.000 0.252 593 R C -1.246 174.941 176.300 -0.189 0.000 0.930 593 R CA 0.739 56.681 56.100 -0.264 0.000 0.642 593 R CB -2.023 28.155 30.300 -0.204 0.000 1.205 593 R HN 0.546 nan 8.270 nan 0.000 0.452 594 I N 0.500 120.944 120.570 -0.210 0.000 2.410 594 I HA 0.098 4.268 4.170 -0.001 0.000 0.286 594 I C 0.734 176.784 176.117 -0.112 0.000 1.009 594 I CA -0.513 60.691 61.300 -0.160 0.000 1.111 594 I CB 1.923 39.791 38.000 -0.221 0.000 1.262 594 I HN 0.160 nan 8.210 nan 0.000 0.443 595 S N 6.443 122.100 115.700 -0.073 0.000 2.702 595 S HA 0.069 4.539 4.470 -0.001 0.000 0.314 595 S C 0.527 175.096 174.600 -0.052 0.000 1.244 595 S CA 0.180 58.351 58.200 -0.048 0.000 1.058 595 S CB 0.072 63.249 63.200 -0.038 0.000 0.783 595 S HN 0.506 nan 8.310 nan 0.000 0.503 596 L N 4.543 125.738 121.223 -0.047 0.000 3.034 596 L HA 0.340 4.680 4.340 -0.001 0.000 0.245 596 L C 0.425 177.245 176.870 -0.084 0.000 1.295 596 L CA -0.270 54.532 54.840 -0.062 0.000 1.068 596 L CB 0.295 42.317 42.059 -0.062 0.000 1.426 596 L HN 0.517 nan 8.230 nan 0.000 0.531 597 S N 0.644 116.305 115.700 -0.064 0.000 2.571 597 S HA 0.866 5.336 4.470 -0.001 0.000 0.284 597 S C -0.858 173.720 174.600 -0.037 0.000 1.128 597 S CA -0.318 57.843 58.200 -0.065 0.000 0.970 597 S CB 1.713 64.876 63.200 -0.061 0.000 1.039 597 S HN 0.233 nan 8.310 nan 0.000 0.485 598 A N 2.850 125.654 122.820 -0.028 0.000 2.486 598 A HA 0.810 5.130 4.320 -0.001 0.000 0.300 598 A C -0.120 177.469 177.584 0.009 0.000 1.048 598 A CA -0.689 51.343 52.037 -0.008 0.000 0.696 598 A CB 1.411 20.407 19.000 -0.006 0.000 1.278 598 A HN 0.986 nan 8.150 nan 0.000 0.405 599 T N -0.610 113.959 114.554 0.025 0.000 2.928 599 T HA 0.765 5.114 4.350 -0.001 0.000 0.284 599 T C 0.241 174.985 174.700 0.075 0.000 1.008 599 T CA -0.088 62.044 62.100 0.052 0.000 1.057 599 T CB 1.735 70.637 68.868 0.056 0.000 1.018 599 T HN 1.656 nan 8.240 nan 0.000 0.493 600 G N 0.717 109.582 108.800 0.108 0.000 2.662 600 G HA2 0.609 4.569 3.960 -0.001 0.000 0.302 600 G HA3 0.609 4.569 3.960 -0.001 0.000 0.302 600 G C -1.982 173.050 174.900 0.220 0.000 1.389 600 G CA -0.779 44.400 45.100 0.132 0.000 0.998 600 G HN 0.729 nan 8.290 nan 0.000 0.502 601 F N 2.256 122.249 119.950 0.071 0.000 2.565 601 F HA 0.782 5.309 4.527 -0.000 0.000 0.313 601 F C -1.679 174.216 175.800 0.159 0.000 1.091 601 F CA -1.314 56.743 58.000 0.094 0.000 0.915 601 F CB 2.377 41.412 39.000 0.059 0.000 1.208 601 F HN 0.525 nan 8.300 nan 0.000 0.453 602 Y N 3.967 123.820 120.300 -0.745 0.000 2.470 602 Y HA 0.759 5.309 4.550 -0.001 0.000 0.341 602 Y C -1.746 173.747 175.900 -0.678 0.000 1.021 602 Y CA -0.905 56.897 58.100 -0.497 0.000 1.025 602 Y CB 1.721 40.031 38.460 -0.251 0.000 1.266 602 Y HN 0.856 nan 8.280 nan 0.000 0.448 603 A N 3.720 125.937 122.820 -1.004 0.000 2.343 603 A HA 0.591 4.911 4.320 -0.001 0.000 0.308 603 A C -0.790 176.243 177.584 -0.920 0.000 1.092 603 A CA -0.763 50.834 52.037 -0.734 0.000 0.751 603 A CB 0.660 19.540 19.000 -0.199 0.000 1.203 603 A HN 0.716 nan 8.150 nan 0.000 0.452 604 T N 5.395 119.570 114.554 -0.631 0.000 2.817 604 T HA 0.390 4.739 4.350 -0.001 0.000 0.295 604 T C -1.880 172.722 174.700 -0.164 0.000 0.958 604 T CA -0.262 61.627 62.100 -0.351 0.000 1.157 604 T CB 0.098 68.938 68.868 -0.047 0.000 0.898 604 T HN 0.615 nan 8.240 nan 0.000 0.536 605 P HA 0.326 nan 4.420 nan 0.000 0.277 605 P C -0.009 177.294 177.300 0.005 0.000 1.271 605 P CA -0.625 62.456 63.100 -0.032 0.000 0.795 605 P CB 0.643 32.344 31.700 0.001 0.000 1.101 606 K N -2.251 118.156 120.400 0.012 0.000 3.472 606 K HA -0.142 4.178 4.320 -0.001 0.000 0.315 606 K C -0.204 176.406 176.600 0.017 0.000 1.320 606 K CA 0.637 56.936 56.287 0.020 0.000 0.962 606 K CB -1.931 30.586 32.500 0.029 0.000 1.251 606 K HN 0.386 nan 8.250 nan 0.000 0.443 607 L N 0.960 122.192 121.223 0.015 0.000 2.282 607 L HA 0.501 4.841 4.340 -0.001 0.000 0.288 607 L C 0.083 176.987 176.870 0.057 0.000 1.033 607 L CA -0.572 54.279 54.840 0.019 0.000 0.807 607 L CB 1.830 43.897 42.059 0.014 0.000 1.209 607 L HN 0.060 nan 8.230 nan 0.000 0.423 608 S N 4.097 119.850 115.700 0.089 0.000 2.582 608 S HA 0.648 5.117 4.470 -0.001 0.000 0.287 608 S C -2.130 172.604 174.600 0.223 0.000 1.146 608 S CA -0.665 57.612 58.200 0.128 0.000 0.941 608 S CB 1.044 64.283 63.200 0.065 0.000 1.115 608 S HN 0.671 nan 8.310 nan 0.000 0.458 609 W N 3.997 125.238 121.300 -0.097 0.000 3.464 609 W HA 0.444 5.103 4.660 -0.001 0.000 0.292 609 W C -2.324 174.123 176.519 -0.121 0.000 1.262 609 W CA -0.604 56.663 57.345 -0.131 0.000 1.202 609 W CB 0.317 29.654 29.460 -0.206 0.000 1.334 609 W HN 0.607 nan 8.180 nan 0.000 0.561 610 D N 3.744 123.952 120.400 -0.321 0.000 2.313 610 D HA 0.167 4.806 4.640 -0.001 0.000 0.239 610 D C 1.215 177.034 176.300 -0.801 0.000 1.142 610 D CA -0.116 53.586 54.000 -0.496 0.000 0.847 610 D CB 1.580 42.234 40.800 -0.244 0.000 1.082 610 D HN 0.571 nan 8.370 nan 0.000 0.480 611 R N 3.677 123.563 120.500 -1.024 0.000 2.092 611 R HA -0.082 4.258 4.340 -0.001 0.000 0.231 611 R C 1.674 177.870 176.300 -0.174 0.000 1.119 611 R CA 0.888 56.447 56.100 -0.901 0.000 0.970 611 R CB 0.147 30.093 30.300 -0.590 0.000 0.864 611 R HN 0.506 nan 8.270 nan 0.000 0.440 612 L N 0.076 121.220 121.223 -0.130 0.000 2.049 612 L HA -0.059 4.281 4.340 -0.001 0.000 0.203 612 L C 2.610 179.517 176.870 0.061 0.000 1.074 612 L CA 1.072 55.951 54.840 0.065 0.000 0.749 612 L CB -0.436 41.627 42.059 0.006 0.000 0.907 612 L HN 0.112 nan 8.230 nan 0.000 0.439 613 R N 0.594 121.037 120.500 -0.096 0.000 2.241 613 R HA -0.022 4.318 4.340 -0.001 0.000 0.224 613 R C 0.996 177.093 176.300 -0.339 0.000 1.101 613 R CA 0.791 56.821 56.100 -0.117 0.000 0.995 613 R CB -0.539 29.701 30.300 -0.099 0.000 0.870 613 R HN 0.519 nan 8.270 nan 0.000 0.463 614 G N 1.853 110.232 108.800 -0.702 0.000 2.333 614 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.296 614 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.296 614 G C -0.329 174.250 174.900 -0.534 0.000 1.059 614 G CA 0.116 44.366 45.100 -1.417 0.000 1.050 614 G HN 0.212 nan 8.290 nan 0.000 0.508 615 Q N -1.084 118.589 119.800 -0.211 0.000 2.389 615 Q HA 0.757 5.096 4.340 -0.001 0.000 0.277 615 Q C 0.460 176.526 176.000 0.109 0.000 1.082 615 Q CA 0.396 56.184 55.803 -0.025 0.000 0.810 615 Q CB 2.147 30.859 28.738 -0.043 0.000 1.374 615 Q HN 1.793 nan 8.270 nan 0.000 0.422 616 G N 1.283 110.161 108.800 0.131 0.000 2.306 616 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.262 616 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.262 616 G C -1.354 173.620 174.900 0.123 0.000 1.263 616 G CA -0.908 44.280 45.100 0.146 0.000 1.088 616 G HN 0.374 nan 8.290 nan 0.000 0.489 617 R N 1.538 122.083 120.500 0.074 0.000 2.402 617 R HA 0.417 4.756 4.340 -0.001 0.000 0.290 617 R C -1.771 174.400 176.300 -0.215 0.000 1.321 617 R CA -1.628 54.451 56.100 -0.036 0.000 1.283 617 R CB 1.590 31.891 30.300 0.002 0.000 1.111 617 R HN 0.319 nan 8.270 nan 0.000 0.578 618 P HA -0.027 nan 4.420 nan 0.000 0.224 618 P C -0.086 176.727 177.300 -0.812 0.000 1.157 618 P CA 0.759 63.178 63.100 -1.134 0.000 0.799 618 P CB 0.302 30.550 31.700 -2.420 0.000 0.809 619 F N -0.904 118.784 119.950 -0.437 0.000 2.432 619 F HA 0.259 4.786 4.527 -0.000 0.000 0.329 619 F C 1.767 177.347 175.800 -0.367 0.000 1.076 619 F CA -1.273 56.439 58.000 -0.481 0.000 1.018 619 F CB 1.192 39.743 39.000 -0.749 0.000 1.201 619 F HN -0.301 nan 8.300 nan 0.000 0.489 620 L N 2.324 123.484 121.223 -0.104 0.000 2.162 620 L HA 0.114 4.454 4.340 -0.001 0.000 0.205 620 L C -0.473 176.418 176.870 0.035 0.000 1.086 620 L CA 1.259 56.103 54.840 0.007 0.000 0.778 620 L CB -0.259 41.897 42.059 0.162 0.000 0.928 620 L HN 0.634 nan 8.230 nan 0.000 0.446 621 Y N -4.501 115.627 120.300 -0.285 0.000 2.713 621 Y HA 0.563 5.112 4.550 -0.001 0.000 0.335 621 Y C -1.507 174.044 175.900 -0.581 0.000 1.222 621 Y CA -2.356 55.557 58.100 -0.313 0.000 1.061 621 Y CB 0.166 38.568 38.460 -0.097 0.000 1.314 621 Y HN -0.181 nan 8.280 nan 0.000 0.453 622 F N 1.632 121.543 119.950 -0.063 0.000 2.469 622 F HA 0.838 5.364 4.527 -0.001 0.000 0.332 622 F C 0.401 175.984 175.800 -0.362 0.000 1.103 622 F CA -0.762 57.007 58.000 -0.385 0.000 0.979 622 F CB 2.027 40.708 39.000 -0.533 0.000 1.137 622 F HN 0.819 nan 8.300 nan 0.000 0.463 623 A N 3.065 125.753 122.820 -0.221 0.000 2.293 623 A HA 0.767 5.087 4.320 -0.001 0.000 0.302 623 A C -1.530 175.768 177.584 -0.476 0.000 1.119 623 A CA -0.318 51.632 52.037 -0.145 0.000 0.823 623 A CB 0.420 19.451 19.000 0.052 0.000 1.097 623 A HN 0.736 nan 8.150 nan 0.000 0.491 624 Y N -0.306 119.897 120.300 -0.161 0.000 2.662 624 Y HA 0.758 5.308 4.550 -0.001 0.000 0.335 624 Y C 0.795 176.399 175.900 -0.492 0.000 1.066 624 Y CA -0.015 57.927 58.100 -0.263 0.000 1.116 624 Y CB 2.359 40.628 38.460 -0.318 0.000 1.308 624 Y HN 1.104 nan 8.280 nan 0.000 0.502 625 G N -0.557 108.165 108.800 -0.130 0.000 2.356 625 G HA2 0.641 4.600 3.960 -0.001 0.000 0.294 625 G HA3 0.641 4.600 3.960 -0.001 0.000 0.294 625 G C -2.268 172.625 174.900 -0.012 0.000 1.423 625 G CA -0.201 44.853 45.100 -0.076 0.000 0.806 625 G HN 0.994 nan 8.290 nan 0.000 0.527 626 A N -1.210 121.626 122.820 0.027 0.000 2.566 626 A HA 1.031 5.351 4.320 -0.001 0.000 0.297 626 A C -0.550 177.050 177.584 0.026 0.000 1.059 626 A CA 0.286 52.331 52.037 0.013 0.000 0.691 626 A CB 1.380 20.347 19.000 -0.055 0.000 1.282 626 A HN 2.527 nan 8.150 nan 0.000 0.401 627 A N 1.636 124.474 122.820 0.030 0.000 2.374 627 A HA 0.785 5.105 4.320 -0.001 0.000 0.305 627 A C -0.998 176.571 177.584 -0.026 0.000 1.053 627 A CA -0.323 51.715 52.037 0.003 0.000 0.726 627 A CB 0.752 19.795 19.000 0.071 0.000 1.229 627 A HN 0.817 nan 8.150 nan 0.000 0.431 628 I N 1.999 122.523 120.570 -0.076 0.000 2.378 628 I HA 0.450 4.620 4.170 -0.001 0.000 0.291 628 I C -0.247 175.859 176.117 -0.018 0.000 0.992 628 I CA -0.127 61.129 61.300 -0.075 0.000 1.154 628 I CB 2.267 40.174 38.000 -0.155 0.000 1.315 628 I HN 0.600 nan 8.210 nan 0.000 0.448 629 T N 4.950 119.529 114.554 0.042 0.000 2.841 629 T HA 0.352 4.702 4.350 -0.001 0.000 0.283 629 T C -0.750 173.972 174.700 0.037 0.000 1.000 629 T CA -0.683 61.442 62.100 0.041 0.000 0.977 629 T CB 2.029 70.961 68.868 0.106 0.000 0.979 629 T HN 0.556 nan 8.240 nan 0.000 0.446 630 E N 2.139 122.336 120.200 -0.006 0.000 2.187 630 E HA 0.655 5.005 4.350 -0.001 0.000 0.268 630 E C -0.985 175.573 176.600 -0.071 0.000 0.896 630 E CA -0.832 55.545 56.400 -0.038 0.000 0.766 630 E CB 1.265 30.930 29.700 -0.058 0.000 1.142 630 E HN 0.528 nan 8.360 nan 0.000 0.408 631 V N 0.688 120.548 119.914 -0.090 0.000 3.130 631 V HA 0.776 4.896 4.120 -0.001 0.000 0.310 631 V C -0.668 175.348 176.094 -0.129 0.000 1.158 631 V CA -0.904 61.337 62.300 -0.099 0.000 1.029 631 V CB 1.522 33.298 31.823 -0.078 0.000 1.057 631 V HN 0.460 nan 8.190 nan 0.000 0.436 632 V N 0.770 120.617 119.914 -0.112 0.000 2.656 632 V HA 0.826 4.946 4.120 -0.001 0.000 0.307 632 V C -0.339 175.723 176.094 -0.053 0.000 1.051 632 V CA -0.593 61.648 62.300 -0.098 0.000 0.893 632 V CB 1.206 32.967 31.823 -0.104 0.000 0.999 632 V HN 1.264 nan 8.190 nan 0.000 0.426 633 I N -0.507 120.046 120.570 -0.027 0.000 2.545 633 I HA 0.743 4.912 4.170 -0.001 0.000 0.292 633 I C -0.795 175.325 176.117 0.006 0.000 1.040 633 I CA -0.532 60.754 61.300 -0.024 0.000 1.068 633 I CB 1.958 39.927 38.000 -0.050 0.000 1.251 633 I HN 0.611 nan 8.210 nan 0.000 0.424 634 D N 4.223 124.621 120.400 -0.003 0.000 2.312 634 D HA 0.239 4.878 4.640 -0.001 0.000 0.252 634 D C 0.932 177.226 176.300 -0.010 0.000 1.150 634 D CA -0.221 53.780 54.000 0.003 0.000 0.870 634 D CB 1.209 42.007 40.800 -0.004 0.000 1.153 634 D HN 0.489 nan 8.370 nan 0.000 0.457 635 R N 2.863 123.359 120.500 -0.007 0.000 2.189 635 R HA 0.017 4.357 4.340 -0.001 0.000 0.218 635 R C 1.408 177.694 176.300 -0.022 0.000 1.074 635 R CA 0.651 56.739 56.100 -0.019 0.000 0.991 635 R CB 0.054 30.344 30.300 -0.018 0.000 0.883 635 R HN 0.578 nan 8.270 nan 0.000 0.457 636 L N -0.671 120.542 121.223 -0.018 0.000 2.249 636 L HA -0.007 4.332 4.340 -0.001 0.000 0.207 636 L C 2.231 179.089 176.870 -0.019 0.000 1.090 636 L CA 1.264 56.093 54.840 -0.018 0.000 0.802 636 L CB -0.086 41.964 42.059 -0.015 0.000 0.947 636 L HN 0.242 nan 8.230 nan 0.000 0.453 637 T N -5.483 109.059 114.554 -0.019 0.000 2.999 637 T HA 0.311 4.661 4.350 -0.001 0.000 0.247 637 T C 1.435 176.120 174.700 -0.026 0.000 1.012 637 T CA 0.652 62.739 62.100 -0.021 0.000 1.048 637 T CB 1.062 69.919 68.868 -0.019 0.000 1.020 637 T HN 0.301 nan 8.240 nan 0.000 0.478 638 G N 1.305 110.088 108.800 -0.028 0.000 2.184 638 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.206 638 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.206 638 G C -0.199 174.679 174.900 -0.037 0.000 0.995 638 G CA -0.099 44.979 45.100 -0.037 0.000 0.651 638 G HN 0.653 nan 8.290 nan 0.000 0.511 639 E N 0.901 121.083 120.200 -0.030 0.000 2.442 639 E HA 0.373 4.722 4.350 -0.001 0.000 0.262 639 E C 0.416 176.997 176.600 -0.032 0.000 1.004 639 E CA 1.007 57.389 56.400 -0.030 0.000 0.928 639 E CB 0.227 29.914 29.700 -0.022 0.000 0.937 639 E HN 0.737 nan 8.360 nan 0.000 0.446 640 N N 1.460 120.137 118.700 -0.038 0.000 2.591 640 N HA 0.472 5.212 4.740 -0.001 0.000 0.263 640 N C -1.465 174.017 175.510 -0.047 0.000 1.308 640 N CA -1.076 51.947 53.050 -0.046 0.000 0.837 640 N CB 1.655 40.107 38.487 -0.057 0.000 1.548 640 N HN 0.381 nan 8.380 nan 0.000 0.493 641 R N 0.845 121.313 120.500 -0.053 0.000 2.626 641 R HA 0.520 4.859 4.340 -0.001 0.000 0.274 641 R C -1.524 174.736 176.300 -0.067 0.000 1.031 641 R CA -0.769 55.298 56.100 -0.055 0.000 0.898 641 R CB 1.385 31.658 30.300 -0.045 0.000 1.222 641 R HN 0.704 nan 8.270 nan 0.000 0.455 642 I N 5.965 126.494 120.570 -0.068 0.000 2.352 642 I HA 0.077 4.247 4.170 -0.001 0.000 0.290 642 I C 0.932 176.999 176.117 -0.082 0.000 1.036 642 I CA -0.240 61.017 61.300 -0.072 0.000 1.336 642 I CB 1.326 39.285 38.000 -0.068 0.000 1.407 642 I HN 0.661 nan 8.210 nan 0.000 0.497 643 L N 5.574 126.743 121.223 -0.089 0.000 2.221 643 L HA 0.249 4.589 4.340 -0.001 0.000 0.202 643 L C 0.980 177.797 176.870 -0.088 0.000 1.074 643 L CA 0.448 55.233 54.840 -0.091 0.000 0.795 643 L CB 0.021 42.010 42.059 -0.117 0.000 0.960 643 L HN 0.565 nan 8.230 nan 0.000 0.458 644 R N -0.671 119.774 120.500 -0.092 0.000 2.561 644 R HA 0.408 4.747 4.340 -0.001 0.000 0.266 644 R C -1.686 174.546 176.300 -0.114 0.000 1.091 644 R CA -0.311 55.734 56.100 -0.091 0.000 0.927 644 R CB 2.071 32.339 30.300 -0.054 0.000 1.240 644 R HN -0.199 nan 8.270 nan 0.000 0.449 645 T N 2.454 116.904 114.554 -0.173 0.000 2.861 645 T HA 0.381 4.731 4.350 -0.001 0.000 0.287 645 T C -1.586 173.042 174.700 -0.120 0.000 1.003 645 T CA -0.667 61.293 62.100 -0.234 0.000 0.977 645 T CB 1.657 70.168 68.868 -0.595 0.000 0.996 645 T HN 0.509 nan 8.240 nan 0.000 0.448 646 D N 1.806 122.144 120.400 -0.103 0.000 2.492 646 D HA 0.577 5.217 4.640 -0.001 0.000 0.248 646 D C -0.662 175.602 176.300 -0.060 0.000 1.101 646 D CA -0.300 53.674 54.000 -0.043 0.000 0.840 646 D CB 1.400 42.189 40.800 -0.018 0.000 1.209 646 D HN 0.359 nan 8.370 nan 0.000 0.524 647 I N 2.006 122.563 120.570 -0.022 0.000 2.474 647 I HA 0.389 4.558 4.170 -0.001 0.000 0.294 647 I C -1.123 175.024 176.117 0.051 0.000 1.005 647 I CA -1.082 60.219 61.300 0.002 0.000 1.113 647 I CB 1.814 39.816 38.000 0.003 0.000 1.289 647 I HN 0.139 nan 8.210 nan 0.000 0.436 648 L N 6.951 128.216 121.223 0.071 0.000 2.401 648 L HA 0.458 4.798 4.340 -0.001 0.000 0.263 648 L C -1.019 175.935 176.870 0.141 0.000 1.004 648 L CA -0.111 54.798 54.840 0.115 0.000 0.881 648 L CB 0.508 42.629 42.059 0.103 0.000 1.219 648 L HN 0.523 nan 8.230 nan 0.000 0.441 649 H N 1.574 120.702 119.070 0.096 0.000 2.499 649 H HA 0.475 5.031 4.556 -0.001 0.000 0.340 649 H C -1.089 174.348 175.328 0.181 0.000 1.148 649 H CA -0.445 55.663 56.048 0.100 0.000 1.215 649 H CB 1.541 31.348 29.762 0.075 0.000 1.529 649 H HN 0.645 nan 8.280 nan 0.000 0.510 650 D N 2.838 123.075 120.400 -0.272 0.000 2.428 650 D HA 0.286 4.925 4.640 -0.001 0.000 0.221 650 D C -0.219 176.154 176.300 0.122 0.000 1.123 650 D CA -0.226 53.816 54.000 0.070 0.000 0.869 650 D CB 0.592 41.426 40.800 0.057 0.000 1.032 650 D HN 0.612 nan 8.370 nan 0.000 0.506 651 A N 3.376 126.339 122.820 0.238 0.000 2.415 651 A HA 0.614 4.934 4.320 -0.001 0.000 0.248 651 A C 1.354 179.021 177.584 0.138 0.000 1.299 651 A CA 0.315 52.478 52.037 0.210 0.000 0.899 651 A CB -0.708 18.403 19.000 0.186 0.000 0.997 651 A HN 0.924 nan 8.150 nan 0.000 0.506 652 G N -0.239 108.650 108.800 0.149 0.000 2.552 652 G HA2 0.122 4.081 3.960 -0.001 0.000 0.265 652 G HA3 0.122 4.081 3.960 -0.001 0.000 0.265 652 G C 0.522 175.450 174.900 0.046 0.000 1.234 652 G CA -0.061 45.093 45.100 0.089 0.000 0.944 652 G HN 1.766 nan 8.290 nan 0.000 0.568 653 A N 0.041 122.868 122.820 0.013 0.000 2.666 653 A HA 0.611 4.930 4.320 -0.001 0.000 0.301 653 A C 1.038 178.627 177.584 0.008 0.000 1.470 653 A CA 1.513 53.549 52.037 -0.001 0.000 1.159 653 A CB -0.457 18.543 19.000 0.001 0.000 1.116 653 A HN 2.280 nan 8.150 nan 0.000 0.548 654 S N 2.209 117.914 115.700 0.008 0.000 2.593 654 S HA 0.072 4.542 4.470 -0.001 0.000 0.300 654 S C 1.301 175.896 174.600 -0.007 0.000 1.267 654 S CA -0.216 57.992 58.200 0.013 0.000 1.065 654 S CB -0.091 63.117 63.200 0.013 0.000 0.807 654 S HN 0.564 nan 8.310 nan 0.000 0.499 655 L N 3.664 124.887 121.223 0.000 0.000 2.072 655 L HA 0.116 4.456 4.340 -0.001 0.000 0.205 655 L C 1.282 178.132 176.870 -0.033 0.000 1.079 655 L CA 0.655 55.484 54.840 -0.017 0.000 0.752 655 L CB -0.132 41.929 42.059 0.003 0.000 0.906 655 L HN 0.626 nan 8.230 nan 0.000 0.436 656 N N -1.085 117.605 118.700 -0.017 0.000 2.640 656 N HA 0.163 4.903 4.740 -0.001 0.000 0.262 656 N C -2.245 173.261 175.510 -0.006 0.000 1.174 656 N CA -1.364 51.675 53.050 -0.017 0.000 0.791 656 N CB 1.600 40.080 38.487 -0.012 0.000 1.279 656 N HN -0.248 nan 8.380 nan 0.000 0.535 657 P HA -0.138 nan 4.420 nan 0.000 0.217 657 P C 1.061 178.358 177.300 -0.004 0.000 1.151 657 P CA 1.497 64.594 63.100 -0.005 0.000 0.849 657 P CB 0.421 32.112 31.700 -0.014 0.000 0.787 658 A N -0.458 122.358 122.820 -0.006 0.000 1.845 658 A HA -0.180 4.140 4.320 -0.001 0.000 0.215 658 A C 2.226 179.812 177.584 0.003 0.000 1.195 658 A CA 1.631 53.666 52.037 -0.003 0.000 0.616 658 A CB -1.675 17.326 19.000 0.002 0.000 0.832 658 A HN 0.102 nan 8.150 nan 0.000 0.443 659 L N -0.507 120.725 121.223 0.015 0.000 2.127 659 L HA -0.212 4.128 4.340 -0.001 0.000 0.211 659 L C 2.065 178.944 176.870 0.015 0.000 1.089 659 L CA 1.415 56.272 54.840 0.028 0.000 0.757 659 L CB -0.816 41.267 42.059 0.041 0.000 0.899 659 L HN 0.317 nan 8.230 nan 0.000 0.434 660 D N 0.208 120.614 120.400 0.010 0.000 2.097 660 D HA -0.151 4.488 4.640 -0.001 0.000 0.195 660 D C 2.271 178.566 176.300 -0.009 0.000 0.989 660 D CA 1.056 55.062 54.000 0.009 0.000 0.827 660 D CB -0.007 40.810 40.800 0.028 0.000 0.966 660 D HN 0.133 nan 8.370 nan 0.000 0.456 661 I N 0.883 121.442 120.570 -0.018 0.000 2.179 661 I HA -0.137 4.033 4.170 -0.001 0.000 0.242 661 I C 2.525 178.596 176.117 -0.078 0.000 1.088 661 I CA 1.251 62.520 61.300 -0.052 0.000 1.357 661 I CB -1.593 36.371 38.000 -0.060 0.000 1.051 661 I HN 0.007 nan 8.210 nan 0.000 0.409 662 G N 0.249 109.020 108.800 -0.049 0.000 2.450 662 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.220 662 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.220 662 G C 1.578 176.468 174.900 -0.018 0.000 1.130 662 G CA 0.320 45.397 45.100 -0.039 0.000 0.760 662 G HN 0.348 nan 8.290 nan 0.000 0.557 663 Q N 0.124 119.918 119.800 -0.010 0.000 2.046 663 Q HA 0.020 4.360 4.340 -0.001 0.000 0.200 663 Q C 2.787 178.781 176.000 -0.009 0.000 0.975 663 Q CA 0.884 56.688 55.803 0.003 0.000 0.836 663 Q CB -0.279 28.452 28.738 -0.011 0.000 0.896 663 Q HN 0.598 nan 8.270 nan 0.000 0.428 664 I N 0.806 121.342 120.570 -0.056 0.000 2.286 664 I HA -0.242 3.927 4.170 -0.001 0.000 0.248 664 I C 2.139 178.259 176.117 0.005 0.000 1.115 664 I CA 1.010 62.271 61.300 -0.065 0.000 1.392 664 I CB -0.250 37.687 38.000 -0.105 0.000 1.065 664 I HN 0.205 nan 8.210 nan 0.000 0.418 665 E N 0.942 121.082 120.200 -0.099 0.000 2.051 665 E HA -0.173 4.177 4.350 -0.001 0.000 0.192 665 E C 2.368 179.038 176.600 0.117 0.000 0.991 665 E CA 1.349 57.634 56.400 -0.190 0.000 0.799 665 E CB -0.344 29.124 29.700 -0.386 0.000 0.748 665 E HN 0.603 nan 8.360 nan 0.000 0.449 666 G N 0.788 109.642 108.800 0.090 0.000 2.394 666 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.215 666 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.215 666 G C 1.658 176.670 174.900 0.186 0.000 1.165 666 G CA 0.701 45.890 45.100 0.149 0.000 0.784 666 G HN 0.329 nan 8.290 nan 0.000 0.535 667 A N 0.061 122.986 122.820 0.175 0.000 1.898 667 A HA 0.001 4.321 4.320 -0.001 0.000 0.216 667 A C 2.172 179.832 177.584 0.127 0.000 1.181 667 A CA 1.628 53.782 52.037 0.194 0.000 0.620 667 A CB -0.700 18.385 19.000 0.141 0.000 0.819 667 A HN 0.449 nan 8.150 nan 0.000 0.442 668 Y N 0.813 121.149 120.300 0.060 0.000 2.097 668 Y HA -0.224 4.325 4.550 -0.001 0.000 0.282 668 Y C 2.333 178.229 175.900 -0.006 0.000 1.152 668 Y CA 2.045 60.167 58.100 0.036 0.000 1.136 668 Y CB -0.543 38.017 38.460 0.168 0.000 0.975 668 Y HN 0.059 nan 8.280 nan 0.000 0.498 669 V N 0.757 120.711 119.914 0.067 0.000 2.252 669 V HA -0.416 3.704 4.120 -0.001 0.000 0.249 669 V C 2.443 178.444 176.094 -0.155 0.000 1.056 669 V CA 2.520 64.785 62.300 -0.058 0.000 1.022 669 V CB -0.885 31.000 31.823 0.103 0.000 0.641 669 V HN 0.511 nan 8.190 nan 0.000 0.445 670 Q N -0.448 119.316 119.800 -0.060 0.000 2.124 670 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 670 Q C 2.271 178.120 176.000 -0.252 0.000 0.977 670 Q CA 1.730 57.523 55.803 -0.016 0.000 0.850 670 Q CB -0.454 28.402 28.738 0.196 0.000 0.901 670 Q HN 0.710 nan 8.270 nan 0.000 0.429 671 G N 0.049 108.412 108.800 -0.728 0.000 2.418 671 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 671 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 671 G C 1.383 175.952 174.900 -0.552 0.000 1.158 671 G CA 0.837 45.170 45.100 -1.279 0.000 0.771 671 G HN 0.471 nan 8.290 nan 0.000 0.545 672 A N 0.905 123.406 122.820 -0.532 0.000 1.873 672 A HA 0.217 4.537 4.320 -0.001 0.000 0.215 672 A C 2.747 180.193 177.584 -0.231 0.000 1.186 672 A CA 1.967 53.759 52.037 -0.409 0.000 0.616 672 A CB -1.172 17.485 19.000 -0.573 0.000 0.823 672 A HN 0.545 nan 8.150 nan 0.000 0.442 673 G N -1.244 107.443 108.800 -0.188 0.000 2.469 673 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.220 673 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.220 673 G C 1.348 176.222 174.900 -0.044 0.000 1.136 673 G CA 1.289 46.323 45.100 -0.110 0.000 0.759 673 G HN 0.692 nan 8.290 nan 0.000 0.562 674 W N 1.282 122.452 121.300 -0.217 0.000 2.335 674 W HA -0.008 4.652 4.660 -0.001 0.000 0.311 674 W C 1.805 178.223 176.519 -0.168 0.000 1.213 674 W CA 1.198 58.439 57.345 -0.174 0.000 1.274 674 W CB -0.453 28.907 29.460 -0.167 0.000 1.148 674 W HN 0.124 nan 8.180 nan 0.000 0.498 675 L N 0.973 121.994 121.223 -0.337 0.000 2.653 675 L HA 0.151 4.491 4.340 -0.001 0.000 0.232 675 L C 1.525 178.297 176.870 -0.164 0.000 1.169 675 L CA 0.798 55.340 54.840 -0.496 0.000 0.951 675 L CB -0.879 40.837 42.059 -0.571 0.000 1.181 675 L HN 0.093 nan 8.230 nan 0.000 0.460 676 T N -6.173 108.297 114.554 -0.139 0.000 3.212 676 T HA -0.019 4.331 4.350 -0.001 0.000 0.157 676 T C 1.553 176.184 174.700 -0.116 0.000 0.908 676 T CA 0.656 62.703 62.100 -0.088 0.000 0.954 676 T CB -0.280 68.536 68.868 -0.087 0.000 1.709 676 T HN 0.057 nan 8.240 nan 0.000 0.335 677 T N 0.188 114.657 114.554 -0.142 0.000 3.023 677 T HA 0.203 4.553 4.350 -0.001 0.000 0.266 677 T C 0.607 175.145 174.700 -0.271 0.000 1.093 677 T CA 0.288 62.282 62.100 -0.177 0.000 1.129 677 T CB -0.585 68.179 68.868 -0.174 0.000 0.899 677 T HN 0.571 nan 8.240 nan 0.000 0.491 678 E N 1.694 121.713 120.200 -0.302 0.000 2.259 678 E HA 0.398 4.748 4.350 -0.001 0.000 0.281 678 E C -0.412 176.011 176.600 -0.294 0.000 1.037 678 E CA -0.103 55.991 56.400 -0.510 0.000 0.854 678 E CB 0.746 30.232 29.700 -0.356 0.000 1.051 678 E HN 0.494 nan 8.360 nan 0.000 0.409 679 E N 3.927 123.933 120.200 -0.324 0.000 2.311 679 E HA 0.216 4.566 4.350 -0.001 0.000 0.281 679 E C -1.451 175.174 176.600 0.041 0.000 0.905 679 E CA -0.514 55.847 56.400 -0.066 0.000 0.778 679 E CB 1.160 30.811 29.700 -0.082 0.000 1.240 679 E HN 0.382 nan 8.360 nan 0.000 0.410 680 L N 3.702 124.957 121.223 0.054 0.000 2.292 680 L HA 0.512 4.852 4.340 -0.001 0.000 0.284 680 L C -0.707 175.993 176.870 -0.283 0.000 1.065 680 L CA -0.735 53.999 54.840 -0.176 0.000 0.806 680 L CB 1.511 43.362 42.059 -0.347 0.000 1.175 680 L HN 0.313 nan 8.230 nan 0.000 0.431 681 V N 2.508 122.193 119.914 -0.382 0.000 2.524 681 V HA 0.384 4.504 4.120 -0.001 0.000 0.297 681 V C -0.717 175.239 176.094 -0.229 0.000 1.035 681 V CA -0.662 61.533 62.300 -0.175 0.000 0.867 681 V CB 1.734 33.530 31.823 -0.045 0.000 1.004 681 V HN 0.608 nan 8.190 nan 0.000 0.426 682 W N 2.675 124.018 121.300 0.071 0.000 2.516 682 W HA 0.417 5.077 4.660 -0.001 0.000 0.343 682 W C 0.259 176.816 176.519 0.064 0.000 1.094 682 W CA -0.490 56.891 57.345 0.060 0.000 1.250 682 W CB 1.977 31.465 29.460 0.047 0.000 1.308 682 W HN 0.781 nan 8.180 nan 0.000 0.588 683 D N -0.187 120.380 120.400 0.279 0.000 2.315 683 D HA -0.118 4.521 4.640 -0.001 0.000 0.275 683 D C 1.455 177.890 176.300 0.224 0.000 1.218 683 D CA 0.470 54.613 54.000 0.238 0.000 1.040 683 D CB -0.422 40.511 40.800 0.221 0.000 1.123 683 D HN 0.481 nan 8.370 nan 0.000 0.541 684 H N -1.923 117.193 119.070 0.076 0.000 2.547 684 H HA 0.198 4.753 4.556 -0.001 0.000 0.266 684 H C 0.435 175.780 175.328 0.029 0.000 0.988 684 H CA -0.049 56.028 56.048 0.048 0.000 1.147 684 H CB -0.751 29.030 29.762 0.032 0.000 1.365 684 H HN 0.285 nan 8.280 nan 0.000 0.589 685 C N -0.048 119.081 119.300 -0.285 0.000 3.385 685 C HA 0.540 4.999 4.460 -0.001 0.000 0.288 685 C C 1.833 176.752 174.990 -0.118 0.000 1.429 685 C CA 0.082 58.948 59.018 -0.255 0.000 1.778 685 C CB 0.079 27.593 27.740 -0.376 0.000 2.503 685 C HN 0.798 nan 8.230 nan 0.000 0.646 686 G N 1.580 110.364 108.800 -0.028 0.000 2.176 686 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.253 686 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.253 686 G C 0.056 175.075 174.900 0.198 0.000 0.979 686 G CA -0.338 44.771 45.100 0.015 0.000 0.641 686 G HN 0.593 nan 8.290 nan 0.000 0.530 687 R N -0.021 120.564 120.500 0.141 0.000 2.296 687 R HA 0.386 4.726 4.340 -0.001 0.000 0.323 687 R C 0.382 176.815 176.300 0.222 0.000 1.067 687 R CA -0.620 55.558 56.100 0.130 0.000 0.946 687 R CB 0.630 30.938 30.300 0.013 0.000 0.991 687 R HN 0.229 nan 8.270 nan 0.000 0.448 688 L N 4.434 125.772 121.223 0.192 0.000 2.477 688 L HA -0.024 4.316 4.340 -0.001 0.000 0.272 688 L C 0.865 177.751 176.870 0.026 0.000 1.157 688 L CA 0.658 55.460 54.840 -0.063 0.000 0.889 688 L CB 0.733 42.721 42.059 -0.118 0.000 1.158 688 L HN 0.689 nan 8.230 nan 0.000 0.473 689 M N 1.954 121.553 119.600 -0.001 0.000 2.429 689 M HA 0.079 4.559 4.480 -0.001 0.000 0.265 689 M C 1.038 177.390 176.300 0.087 0.000 1.120 689 M CA 0.798 56.158 55.300 0.100 0.000 1.173 689 M CB -1.162 31.464 32.600 0.043 0.000 1.343 689 M HN 0.704 nan 8.290 nan 0.000 0.464 690 T N -0.052 114.483 114.554 -0.031 0.000 3.579 690 T HA 0.205 4.555 4.350 -0.001 0.000 0.328 690 T C 0.475 175.159 174.700 -0.028 0.000 1.481 690 T CA -0.460 61.614 62.100 -0.042 0.000 1.144 690 T CB -0.872 67.990 68.868 -0.010 0.000 1.205 690 T HN 0.502 nan 8.240 nan 0.000 0.812 691 H N 0.629 119.663 119.070 -0.060 0.000 2.767 691 H HA 0.652 5.207 4.556 -0.001 0.000 0.260 691 H C -0.173 175.153 175.328 -0.002 0.000 1.172 691 H CA -0.660 55.355 56.048 -0.055 0.000 1.048 691 H CB -0.117 29.618 29.762 -0.045 0.000 1.697 691 H HN 0.638 nan 8.280 nan 0.000 0.606 692 A N 1.430 124.110 122.820 -0.233 0.000 2.532 692 A HA 0.540 4.859 4.320 -0.001 0.000 0.290 692 A C -2.218 175.342 177.584 -0.040 0.000 1.143 692 A CA -1.679 50.287 52.037 -0.118 0.000 0.728 692 A CB 1.775 20.645 19.000 -0.216 0.000 1.317 692 A HN -0.021 nan 8.150 nan 0.000 0.414 693 P HA -0.079 nan 4.420 nan 0.000 0.221 693 P C 1.387 178.643 177.300 -0.073 0.000 1.150 693 P CA 1.921 64.991 63.100 -0.050 0.000 0.800 693 P CB 0.152 31.930 31.700 0.131 0.000 0.787 694 S N -1.920 113.750 115.700 -0.049 0.000 2.522 694 S HA -0.055 4.415 4.470 -0.001 0.000 0.227 694 S C 1.570 176.124 174.600 -0.077 0.000 0.986 694 S CA 1.449 59.615 58.200 -0.056 0.000 0.929 694 S CB -1.497 61.678 63.200 -0.041 0.000 0.769 694 S HN 0.266 nan 8.310 nan 0.000 0.529 695 T N -3.252 111.248 114.554 -0.089 0.000 2.978 695 T HA 0.264 4.614 4.350 -0.001 0.000 0.248 695 T C 0.079 174.742 174.700 -0.062 0.000 1.018 695 T CA -0.310 61.739 62.100 -0.085 0.000 1.026 695 T CB -0.459 68.346 68.868 -0.106 0.000 1.032 695 T HN 0.356 nan 8.240 nan 0.000 0.485 696 Y N 2.080 122.261 120.300 -0.199 0.000 2.335 696 Y HA 0.611 5.161 4.550 -0.001 0.000 0.339 696 Y C -0.699 175.032 175.900 -0.283 0.000 0.987 696 Y CA -1.175 56.789 58.100 -0.226 0.000 1.140 696 Y CB 1.006 39.321 38.460 -0.242 0.000 1.173 696 Y HN -0.182 nan 8.280 nan 0.000 0.486 697 K N 7.724 127.772 120.400 -0.586 0.000 2.419 697 K HA 0.301 4.621 4.320 -0.001 0.000 0.244 697 K C -0.815 175.524 176.600 -0.435 0.000 1.045 697 K CA -0.338 55.704 56.287 -0.408 0.000 1.004 697 K CB -0.195 32.140 32.500 -0.276 0.000 1.376 697 K HN 0.696 nan 8.250 nan 0.000 0.460 698 I N -0.935 119.421 120.570 -0.356 0.000 2.823 698 I HA 0.427 4.596 4.170 -0.001 0.000 0.290 698 I C -1.875 174.167 176.117 -0.125 0.000 1.091 698 I CA -2.272 58.905 61.300 -0.205 0.000 1.365 698 I CB 0.212 38.148 38.000 -0.107 0.000 1.427 698 I HN 0.282 nan 8.210 nan 0.000 0.583 699 P HA 0.108 nan 4.420 nan 0.000 0.260 699 P C -0.574 176.720 177.300 -0.011 0.000 1.185 699 P CA 0.209 63.277 63.100 -0.052 0.000 0.763 699 P CB 0.386 32.057 31.700 -0.048 0.000 0.776 700 A N 3.308 126.130 122.820 0.003 0.000 2.246 700 A HA 0.315 4.635 4.320 -0.001 0.000 0.291 700 A C 1.072 178.716 177.584 0.100 0.000 1.103 700 A CA -0.474 51.601 52.037 0.063 0.000 0.844 700 A CB -0.196 18.841 19.000 0.062 0.000 1.136 700 A HN 0.522 nan 8.150 nan 0.000 0.500 701 F N 1.216 121.185 119.950 0.031 0.000 2.045 701 F HA -0.324 4.203 4.527 -0.001 0.000 0.297 701 F C 2.825 178.645 175.800 0.035 0.000 1.114 701 F CA 3.286 61.311 58.000 0.041 0.000 1.207 701 F CB -0.150 38.873 39.000 0.040 0.000 0.964 701 F HN 0.580 nan 8.300 nan 0.000 0.486 702 S N -0.736 115.167 115.700 0.338 0.000 2.469 702 S HA -0.197 4.272 4.470 -0.001 0.000 0.238 702 S C 1.426 176.076 174.600 0.084 0.000 0.998 702 S CA 1.381 59.710 58.200 0.215 0.000 0.957 702 S CB -0.663 62.620 63.200 0.139 0.000 0.764 702 S HN 0.453 nan 8.310 nan 0.000 0.514 703 D N 2.152 122.576 120.400 0.040 0.000 2.348 703 D HA -0.008 4.632 4.640 -0.001 0.000 0.216 703 D C 1.133 177.404 176.300 -0.048 0.000 0.970 703 D CA 0.327 54.318 54.000 -0.015 0.000 0.889 703 D CB -0.338 40.445 40.800 -0.029 0.000 0.912 703 D HN 0.739 nan 8.370 nan 0.000 0.524 704 R N 1.235 121.702 120.500 -0.055 0.000 2.756 704 R HA 0.188 4.527 4.340 -0.001 0.000 0.264 704 R C -2.540 173.685 176.300 -0.125 0.000 1.026 704 R CA -1.066 54.984 56.100 -0.083 0.000 1.121 704 R CB -0.795 29.468 30.300 -0.061 0.000 0.999 704 R HN -0.186 nan 8.270 nan 0.000 0.449 705 P HA 0.038 nan 4.420 nan 0.000 0.267 705 P C 0.057 177.275 177.300 -0.137 0.000 1.205 705 P CA -0.259 62.676 63.100 -0.275 0.000 0.765 705 P CB 0.629 31.991 31.700 -0.563 0.000 0.828 706 R N 2.557 123.015 120.500 -0.069 0.000 2.127 706 R HA -0.020 4.319 4.340 -0.001 0.000 0.238 706 R C 0.667 176.974 176.300 0.012 0.000 1.134 706 R CA 1.200 57.294 56.100 -0.010 0.000 0.975 706 R CB -0.484 29.808 30.300 -0.013 0.000 0.865 706 R HN 0.514 nan 8.270 nan 0.000 0.447 707 I N 0.009 120.570 120.570 -0.015 0.000 2.436 707 I HA 0.261 4.431 4.170 -0.001 0.000 0.289 707 I C -0.724 175.420 176.117 0.045 0.000 1.010 707 I CA -0.493 60.824 61.300 0.029 0.000 1.098 707 I CB 1.949 39.956 38.000 0.013 0.000 1.266 707 I HN -0.137 nan 8.210 nan 0.000 0.434 708 F N 5.928 125.858 119.950 -0.034 0.000 2.686 708 F HA 0.384 4.910 4.527 -0.001 0.000 0.365 708 F C -0.246 175.519 175.800 -0.057 0.000 1.196 708 F CA -0.924 57.040 58.000 -0.060 0.000 1.198 708 F CB 0.703 39.677 39.000 -0.043 0.000 1.454 708 F HN 0.460 nan 8.300 nan 0.000 0.539 709 N N 4.258 123.088 118.700 0.216 0.000 2.521 709 N HA 0.202 4.942 4.740 -0.001 0.000 0.236 709 N C -0.774 174.771 175.510 0.058 0.000 1.067 709 N CA 0.000 53.105 53.050 0.091 0.000 0.939 709 N CB 1.812 40.332 38.487 0.055 0.000 1.201 709 N HN 0.127 nan 8.380 nan 0.000 0.511 710 V N 1.326 121.233 119.914 -0.012 0.000 2.347 710 V HA 0.707 4.827 4.120 -0.001 0.000 0.280 710 V C 0.122 176.207 176.094 -0.015 0.000 1.021 710 V CA -0.831 61.442 62.300 -0.045 0.000 0.847 710 V CB 0.967 32.682 31.823 -0.180 0.000 0.990 710 V HN 0.628 nan 8.190 nan 0.000 0.444 711 A N 5.567 128.405 122.820 0.029 0.000 2.414 711 A HA 0.889 5.209 4.320 -0.001 0.000 0.306 711 A C -0.966 176.676 177.584 0.096 0.000 1.054 711 A CA -0.653 51.413 52.037 0.048 0.000 0.724 711 A CB 1.314 20.345 19.000 0.052 0.000 1.267 711 A HN 0.757 nan 8.150 nan 0.000 0.418 712 L N 2.249 123.526 121.223 0.090 0.000 2.312 712 L HA 0.254 4.594 4.340 -0.001 0.000 0.281 712 L C -0.010 176.960 176.870 0.168 0.000 1.070 712 L CA -0.413 54.509 54.840 0.136 0.000 0.805 712 L CB 1.040 43.152 42.059 0.089 0.000 1.174 712 L HN 0.808 nan 8.230 nan 0.000 0.434 713 W N 4.938 126.251 121.300 0.023 0.000 2.485 713 W HA 0.069 4.729 4.660 -0.001 0.000 0.315 713 W C -0.665 175.856 176.519 0.003 0.000 1.304 713 W CA -0.230 57.115 57.345 0.000 0.000 1.345 713 W CB 0.950 30.398 29.460 -0.020 0.000 1.368 713 W HN 0.482 nan 8.180 nan 0.000 0.497 714 D N 5.304 125.486 120.400 -0.364 0.000 2.485 714 D HA 0.156 4.795 4.640 -0.001 0.000 0.229 714 D C -0.946 175.108 176.300 -0.410 0.000 1.101 714 D CA 0.206 54.043 54.000 -0.271 0.000 0.906 714 D CB 0.614 41.307 40.800 -0.178 0.000 1.019 714 D HN 0.465 nan 8.370 nan 0.000 0.516 715 Q N 3.364 122.995 119.800 -0.282 0.000 2.281 715 Q HA 0.374 4.714 4.340 -0.001 0.000 0.263 715 Q C -2.705 173.283 176.000 -0.021 0.000 0.989 715 Q CA -1.974 53.716 55.803 -0.189 0.000 0.852 715 Q CB 2.291 30.910 28.738 -0.199 0.000 1.337 715 Q HN 0.124 nan 8.270 nan 0.000 0.418 716 P HA -0.046 nan 4.420 nan 0.000 0.267 716 P C -0.692 176.612 177.300 0.006 0.000 1.200 716 P CA -0.102 62.993 63.100 -0.008 0.000 0.772 716 P CB 0.505 32.198 31.700 -0.012 0.000 0.855 717 N N 2.224 120.905 118.700 -0.031 0.000 2.458 717 N HA -0.035 4.705 4.740 -0.001 0.000 0.258 717 N C 1.195 176.674 175.510 -0.052 0.000 1.219 717 N CA 0.296 53.298 53.050 -0.080 0.000 0.902 717 N CB 0.384 38.732 38.487 -0.230 0.000 1.076 717 N HN 0.303 nan 8.380 nan 0.000 0.455 718 R N 1.444 121.931 120.500 -0.021 0.000 2.073 718 R HA 0.002 4.341 4.340 -0.001 0.000 0.229 718 R C -0.010 176.282 176.300 -0.014 0.000 1.120 718 R CA 0.839 56.943 56.100 0.006 0.000 0.967 718 R CB 0.163 30.492 30.300 0.049 0.000 0.862 718 R HN 0.642 nan 8.270 nan 0.000 0.436 719 E N 1.054 121.229 120.200 -0.041 0.000 2.349 719 E HA -0.001 4.349 4.350 -0.001 0.000 0.262 719 E C -0.618 175.935 176.600 -0.078 0.000 1.088 719 E CA 0.083 56.460 56.400 -0.037 0.000 0.899 719 E CB 0.908 30.605 29.700 -0.007 0.000 1.044 719 E HN 0.223 nan 8.360 nan 0.000 0.420 720 E N 1.458 121.632 120.200 -0.043 0.000 2.148 720 E HA 0.038 4.388 4.350 -0.001 0.000 0.308 720 E C 0.177 176.721 176.600 -0.093 0.000 1.278 720 E CA -0.156 56.207 56.400 -0.062 0.000 1.368 720 E CB -0.206 29.474 29.700 -0.033 0.000 1.229 720 E HN 0.397 nan 8.360 nan 0.000 0.494 721 T N -1.465 113.000 114.554 -0.148 0.000 2.788 721 T HA 0.201 4.551 4.350 -0.001 0.000 0.280 721 T C 0.551 175.123 174.700 -0.212 0.000 0.984 721 T CA -0.950 61.041 62.100 -0.182 0.000 0.972 721 T CB 0.893 69.613 68.868 -0.247 0.000 1.039 721 T HN 0.164 nan 8.240 nan 0.000 0.530 722 I N 1.765 122.194 120.570 -0.235 0.000 2.769 722 I HA 0.151 4.321 4.170 -0.001 0.000 0.285 722 I C -0.025 176.041 176.117 -0.084 0.000 1.173 722 I CA -0.556 60.597 61.300 -0.245 0.000 1.389 722 I CB -1.726 36.153 38.000 -0.201 0.000 1.404 722 I HN 0.739 nan 8.210 nan 0.000 0.544 723 F N 7.054 126.939 119.950 -0.108 0.000 2.970 723 F HA -0.323 4.204 4.527 -0.000 0.000 0.251 723 F C 1.062 176.812 175.800 -0.084 0.000 0.993 723 F CA 0.581 58.531 58.000 -0.084 0.000 0.869 723 F CB -0.940 38.017 39.000 -0.072 0.000 0.762 723 F HN 0.627 nan 8.300 nan 0.000 0.817 724 R N -2.031 118.475 120.500 0.010 0.000 3.722 724 R HA -0.233 4.107 4.340 -0.001 0.000 0.284 724 R C 0.582 176.856 176.300 -0.045 0.000 1.165 724 R CA 1.031 57.109 56.100 -0.036 0.000 0.779 724 R CB -2.582 27.713 30.300 -0.008 0.000 1.179 724 R HN 0.633 nan 8.270 nan 0.000 0.491 725 S N -0.555 115.123 115.700 -0.036 0.000 2.669 725 S HA 0.634 5.104 4.470 -0.001 0.000 0.270 725 S C 0.206 174.756 174.600 -0.083 0.000 1.225 725 S CA -0.689 57.496 58.200 -0.024 0.000 0.991 725 S CB 2.369 65.578 63.200 0.015 0.000 0.987 725 S HN 0.180 nan 8.310 nan 0.000 0.552 726 K N 0.236 120.639 120.400 0.004 0.000 2.316 726 K HA 0.616 4.936 4.320 -0.001 0.000 0.251 726 K C -0.485 176.218 176.600 0.172 0.000 0.934 726 K CA -0.827 55.515 56.287 0.092 0.000 0.802 726 K CB 2.101 34.707 32.500 0.176 0.000 1.171 726 K HN 0.839 nan 8.250 nan 0.000 0.426 727 A N 1.455 124.435 122.820 0.266 0.000 2.540 727 A HA 0.082 4.402 4.320 -0.001 0.000 0.239 727 A C 0.558 178.209 177.584 0.112 0.000 1.061 727 A CA 0.058 52.177 52.037 0.137 0.000 0.758 727 A CB 0.321 19.372 19.000 0.084 0.000 0.991 727 A HN 0.524 nan 8.150 nan 0.000 0.502 728 V N 2.882 122.826 119.914 0.050 0.000 3.337 728 V HA 0.225 4.344 4.120 -0.001 0.000 0.307 728 V C 1.604 177.666 176.094 -0.054 0.000 1.505 728 V CA 0.919 63.241 62.300 0.036 0.000 1.072 728 V CB 0.126 31.985 31.823 0.060 0.000 0.929 728 V HN 1.104 nan 8.190 nan 0.000 0.455 729 G N -0.040 108.718 108.800 -0.071 0.000 2.403 729 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.216 729 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.216 729 G C 1.190 176.011 174.900 -0.131 0.000 1.154 729 G CA 1.256 46.304 45.100 -0.086 0.000 0.784 729 G HN 0.578 nan 8.290 nan 0.000 0.538 730 E N -0.400 119.642 120.200 -0.262 0.000 2.354 730 E HA 0.055 4.405 4.350 -0.001 0.000 0.203 730 E C -0.538 175.718 176.600 -0.574 0.000 0.841 730 E CA -0.274 55.860 56.400 -0.444 0.000 1.046 730 E CB 0.335 29.644 29.700 -0.652 0.000 1.040 730 E HN 0.169 nan 8.360 nan 0.000 0.504 731 P HA -0.162 nan 4.420 nan 0.000 0.218 731 P C -1.753 175.496 177.300 -0.085 0.000 1.154 731 P CA 1.962 64.862 63.100 -0.334 0.000 0.872 731 P CB -0.834 30.900 31.700 0.057 0.000 0.790 732 P HA -0.098 nan 4.420 nan 0.000 0.226 732 P C 1.291 178.613 177.300 0.036 0.000 1.153 732 P CA 0.668 63.672 63.100 -0.160 0.000 0.777 732 P CB -0.607 30.904 31.700 -0.315 0.000 0.794 733 F N 0.392 120.272 119.950 -0.116 0.000 2.216 733 F HA -0.143 4.384 4.527 -0.001 0.000 0.300 733 F C 1.528 177.310 175.800 -0.029 0.000 1.085 733 F CA 1.203 59.152 58.000 -0.084 0.000 1.326 733 F CB -0.541 38.363 39.000 -0.160 0.000 1.027 733 F HN -0.248 nan 8.300 nan 0.000 0.497 734 L N 0.156 121.457 121.223 0.129 0.000 2.551 734 L HA -0.101 4.239 4.340 -0.001 0.000 0.228 734 L C 1.806 178.737 176.870 0.101 0.000 1.153 734 L CA 1.008 55.924 54.840 0.127 0.000 0.851 734 L CB -0.769 41.392 42.059 0.169 0.000 0.959 734 L HN 0.215 nan 8.230 nan 0.000 0.451 735 L N -1.433 119.857 121.223 0.111 0.000 2.395 735 L HA 0.003 4.343 4.340 -0.001 0.000 0.218 735 L C 2.435 179.436 176.870 0.219 0.000 1.130 735 L CA 0.773 55.744 54.840 0.218 0.000 0.826 735 L CB -0.888 41.362 42.059 0.317 0.000 0.941 735 L HN 0.342 nan 8.230 nan 0.000 0.451 736 G N 0.382 109.127 108.800 -0.092 0.000 2.470 736 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.220 736 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.220 736 G C 1.575 176.401 174.900 -0.124 0.000 1.121 736 G CA 0.361 45.241 45.100 -0.367 0.000 0.766 736 G HN 0.281 nan 8.290 nan 0.000 0.553 737 I N 1.911 122.480 120.570 -0.001 0.000 2.113 737 I HA -0.310 3.859 4.170 -0.001 0.000 0.242 737 I C 3.223 179.428 176.117 0.147 0.000 1.064 737 I CA 1.765 63.115 61.300 0.085 0.000 1.320 737 I CB -0.391 37.687 38.000 0.131 0.000 1.028 737 I HN 0.371 nan 8.210 nan 0.000 0.406 738 S N 1.338 117.131 115.700 0.154 0.000 2.387 738 S HA -0.259 4.211 4.470 -0.001 0.000 0.230 738 S C 2.188 176.867 174.600 0.132 0.000 1.035 738 S CA 1.180 59.473 58.200 0.155 0.000 1.014 738 S CB -0.724 62.572 63.200 0.159 0.000 0.836 738 S HN 0.463 nan 8.310 nan 0.000 0.466 739 A N 1.131 124.024 122.820 0.121 0.000 1.902 739 A HA 0.074 4.393 4.320 -0.001 0.000 0.217 739 A C 1.990 179.605 177.584 0.050 0.000 1.181 739 A CA 1.453 53.529 52.037 0.065 0.000 0.623 739 A CB -1.116 17.870 19.000 -0.024 0.000 0.818 739 A HN 0.620 nan 8.150 nan 0.000 0.443 740 F N 0.099 120.001 119.950 -0.081 0.000 2.134 740 F HA -0.120 4.407 4.527 -0.001 0.000 0.299 740 F C 1.752 177.530 175.800 -0.036 0.000 1.097 740 F CA 1.431 59.377 58.000 -0.089 0.000 1.264 740 F CB -0.211 38.707 39.000 -0.137 0.000 1.001 740 F HN 0.135 nan 8.300 nan 0.000 0.479 741 L N 0.454 121.697 121.223 0.033 0.000 2.083 741 L HA -0.089 4.250 4.340 -0.001 0.000 0.209 741 L C 2.646 179.512 176.870 -0.008 0.000 1.083 741 L CA 1.824 56.657 54.840 -0.011 0.000 0.752 741 L CB -1.631 40.491 42.059 0.105 0.000 0.899 741 L HN 0.256 nan 8.230 nan 0.000 0.433 742 A N -1.543 121.272 122.820 -0.008 0.000 1.968 742 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 742 A C 2.176 179.700 177.584 -0.099 0.000 1.169 742 A CA 0.934 52.958 52.037 -0.022 0.000 0.638 742 A CB -0.527 18.478 19.000 0.009 0.000 0.812 742 A HN 0.283 nan 8.150 nan 0.000 0.446 743 L N -0.597 120.536 121.223 -0.150 0.000 2.042 743 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 743 L C 2.435 179.148 176.870 -0.261 0.000 1.076 743 L CA 2.452 57.169 54.840 -0.205 0.000 0.749 743 L CB -0.987 40.928 42.059 -0.240 0.000 0.893 743 L HN 0.740 nan 8.230 nan 0.000 0.432 744 H N -1.113 117.691 119.070 -0.443 0.000 2.353 744 H HA -0.199 4.357 4.556 -0.001 0.000 0.300 744 H C 1.984 177.143 175.328 -0.283 0.000 1.090 744 H CA 2.072 57.858 56.048 -0.437 0.000 1.327 744 H CB -0.176 29.267 29.762 -0.532 0.000 1.383 744 H HN 0.445 nan 8.280 nan 0.000 0.508 745 D N -0.185 120.000 120.400 -0.359 0.000 2.149 745 D HA -0.145 4.494 4.640 -0.001 0.000 0.198 745 D C 2.219 178.359 176.300 -0.268 0.000 0.990 745 D CA 1.493 55.306 54.000 -0.312 0.000 0.839 745 D CB -0.406 40.339 40.800 -0.091 0.000 0.948 745 D HN 0.546 nan 8.370 nan 0.000 0.460 746 A N -0.472 122.220 122.820 -0.213 0.000 1.933 746 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 746 A C 2.518 179.993 177.584 -0.181 0.000 1.175 746 A CA 1.393 53.337 52.037 -0.155 0.000 0.628 746 A CB -0.939 17.988 19.000 -0.121 0.000 0.814 746 A HN 0.513 nan 8.150 nan 0.000 0.444 747 C N -1.026 118.115 119.300 -0.266 0.000 2.446 747 C HA 0.081 4.541 4.460 -0.001 0.000 0.277 747 C C 3.266 178.094 174.990 -0.269 0.000 1.275 747 C CA 0.656 59.517 59.018 -0.263 0.000 1.727 747 C CB -1.338 26.213 27.740 -0.316 0.000 2.010 747 C HN 0.709 nan 8.230 nan 0.000 0.486 748 A N 0.299 122.884 122.820 -0.391 0.000 2.076 748 A HA 0.105 4.425 4.320 -0.001 0.000 0.220 748 A C 1.921 179.410 177.584 -0.159 0.000 1.160 748 A CA 1.764 53.625 52.037 -0.294 0.000 0.653 748 A CB -0.515 18.268 19.000 -0.362 0.000 0.801 748 A HN 0.642 nan 8.150 nan 0.000 0.455 749 A N -2.145 120.590 122.820 -0.142 0.000 2.579 749 A HA 0.382 4.701 4.320 -0.001 0.000 0.273 749 A C 0.837 178.385 177.584 -0.059 0.000 1.363 749 A CA 0.367 52.356 52.037 -0.080 0.000 0.953 749 A CB -0.955 18.011 19.000 -0.057 0.000 1.034 749 A HN 0.478 nan 8.150 nan 0.000 0.536 750 C N -1.350 117.910 119.300 -0.066 0.000 3.525 750 C HA 0.608 5.068 4.460 -0.001 0.000 0.289 750 C C 1.191 176.167 174.990 -0.024 0.000 1.496 750 C CA 0.165 59.155 59.018 -0.045 0.000 1.804 750 C CB -0.589 27.118 27.740 -0.055 0.000 2.708 750 C HN 0.912 nan 8.230 nan 0.000 0.642 751 G N 1.362 110.148 108.800 -0.023 0.000 2.343 751 G HA2 0.263 4.223 3.960 -0.001 0.000 0.289 751 G HA3 0.263 4.223 3.960 -0.001 0.000 0.289 751 G C -2.632 172.258 174.900 -0.017 0.000 1.295 751 G CA -0.021 45.079 45.100 0.001 0.000 0.869 751 G HN -0.225 nan 8.290 nan 0.000 0.522 752 P HA 0.183 nan 4.420 nan 0.000 0.257 752 P C 0.063 177.289 177.300 -0.123 0.000 1.241 752 P CA 0.309 63.344 63.100 -0.109 0.000 0.816 752 P CB 0.159 31.752 31.700 -0.179 0.000 1.150 753 H N -0.117 118.967 119.070 0.024 0.000 2.582 753 H HA 0.031 4.586 4.556 -0.001 0.000 0.345 753 H C -0.017 175.360 175.328 0.082 0.000 1.104 753 H CA -0.430 55.654 56.048 0.061 0.000 1.390 753 H CB 0.821 30.606 29.762 0.038 0.000 1.461 753 H HN 0.220 nan 8.280 nan 0.000 0.551 754 W N 6.512 127.864 121.300 0.087 0.000 2.469 754 W HA 0.046 4.706 4.660 -0.001 0.000 0.321 754 W C -2.153 174.400 176.519 0.056 0.000 1.415 754 W CA -1.683 55.673 57.345 0.019 0.000 1.308 754 W CB 0.469 29.898 29.460 -0.051 0.000 1.368 754 W HN 0.528 nan 8.180 nan 0.000 0.546 755 P HA -0.150 nan 4.420 nan 0.000 0.223 755 P C -0.085 176.903 177.300 -0.519 0.000 1.151 755 P CA 1.178 63.994 63.100 -0.474 0.000 0.787 755 P CB 0.021 31.448 31.700 -0.455 0.000 0.788 756 D N -1.363 118.425 120.400 -1.021 0.000 2.890 756 D HA -0.177 4.462 4.640 -0.001 0.000 0.226 756 D C -0.497 175.705 176.300 -0.163 0.000 1.207 756 D CA 0.154 53.926 54.000 -0.379 0.000 0.764 756 D CB -1.033 39.845 40.800 0.130 0.000 0.948 756 D HN -0.018 nan 8.370 nan 0.000 0.404 757 L N 1.662 122.737 121.223 -0.247 0.000 2.416 757 L HA 0.306 4.645 4.340 -0.001 0.000 0.272 757 L C 0.002 176.955 176.870 0.139 0.000 1.161 757 L CA 0.358 55.133 54.840 -0.110 0.000 0.845 757 L CB 1.071 42.963 42.059 -0.278 0.000 1.119 757 L HN 0.133 nan 8.230 nan 0.000 0.464 758 Q N 3.822 123.753 119.800 0.219 0.000 2.274 758 Q HA 0.620 4.959 4.340 -0.001 0.000 0.260 758 Q C -0.695 175.525 176.000 0.366 0.000 0.974 758 Q CA -0.553 55.454 55.803 0.340 0.000 0.876 758 Q CB 1.781 30.649 28.738 0.217 0.000 1.297 758 Q HN 0.808 nan 8.270 nan 0.000 0.446 759 A N 3.998 126.969 122.820 0.251 0.000 2.301 759 A HA 0.613 4.933 4.320 -0.001 0.000 0.298 759 A C -2.172 175.353 177.584 -0.099 0.000 1.185 759 A CA -1.382 50.583 52.037 -0.121 0.000 0.830 759 A CB 0.180 18.819 19.000 -0.602 0.000 1.112 759 A HN 0.387 nan 8.150 nan 0.000 0.508 760 P HA 0.280 nan 4.420 nan 0.000 0.280 760 P C -0.200 177.106 177.300 0.009 0.000 1.244 760 P CA -0.095 62.916 63.100 -0.149 0.000 0.784 760 P CB 1.369 32.978 31.700 -0.151 0.000 0.913 761 A N 3.177 126.066 122.820 0.115 0.000 3.052 761 A HA 0.249 4.569 4.320 -0.001 0.000 0.266 761 A C 1.024 178.614 177.584 0.010 0.000 1.855 761 A CA -0.123 51.985 52.037 0.119 0.000 1.473 761 A CB -1.587 17.509 19.000 0.160 0.000 1.038 761 A HN 0.615 nan 8.150 nan 0.000 0.619 762 T N -1.376 113.169 114.554 -0.015 0.000 2.856 762 T HA 0.249 4.598 4.350 -0.001 0.000 0.306 762 T C -1.511 173.167 174.700 -0.037 0.000 1.062 762 T CA -1.055 61.020 62.100 -0.042 0.000 1.083 762 T CB 0.420 69.259 68.868 -0.048 0.000 0.984 762 T HN 0.189 nan 8.240 nan 0.000 0.542 763 P HA -0.163 nan 4.420 nan 0.000 0.216 763 P C 1.492 178.771 177.300 -0.034 0.000 1.154 763 P CA 1.386 64.462 63.100 -0.041 0.000 0.865 763 P CB 0.060 31.735 31.700 -0.041 0.000 0.789 764 E N -0.414 119.768 120.200 -0.029 0.000 2.031 764 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 764 E C 1.958 178.547 176.600 -0.018 0.000 0.994 764 E CA 1.402 57.789 56.400 -0.021 0.000 0.800 764 E CB -0.615 29.076 29.700 -0.015 0.000 0.752 764 E HN 0.078 nan 8.360 nan 0.000 0.447 765 A N 0.404 123.217 122.820 -0.011 0.000 2.019 765 A HA -0.104 4.215 4.320 -0.001 0.000 0.219 765 A C 2.326 179.896 177.584 -0.023 0.000 1.164 765 A CA 1.256 53.294 52.037 0.001 0.000 0.644 765 A CB -0.397 18.619 19.000 0.028 0.000 0.805 765 A HN 0.239 nan 8.150 nan 0.000 0.449 766 V N -0.520 119.370 119.914 -0.039 0.000 2.283 766 V HA -0.202 3.917 4.120 -0.001 0.000 0.243 766 V C 2.434 178.487 176.094 -0.068 0.000 1.039 766 V CA 1.816 64.075 62.300 -0.068 0.000 1.016 766 V CB -0.758 31.023 31.823 -0.070 0.000 0.650 766 V HN 0.577 nan 8.190 nan 0.000 0.449 767 L N 0.921 122.114 121.223 -0.050 0.000 2.042 767 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 767 L C 2.441 179.283 176.870 -0.046 0.000 1.076 767 L CA 2.395 57.208 54.840 -0.046 0.000 0.749 767 L CB -0.823 41.216 42.059 -0.034 0.000 0.893 767 L HN 0.245 nan 8.230 nan 0.000 0.432 768 A N -0.888 121.909 122.820 -0.038 0.000 1.972 768 A HA -0.071 4.249 4.320 -0.001 0.000 0.219 768 A C 2.392 179.945 177.584 -0.052 0.000 1.169 768 A CA 1.635 53.652 52.037 -0.034 0.000 0.635 768 A CB -0.958 18.034 19.000 -0.015 0.000 0.810 768 A HN 0.566 nan 8.150 nan 0.000 0.446 769 A N -0.683 122.093 122.820 -0.073 0.000 1.898 769 A HA 0.116 4.436 4.320 -0.001 0.000 0.214 769 A C 2.187 179.695 177.584 -0.127 0.000 1.183 769 A CA 1.419 53.386 52.037 -0.117 0.000 0.622 769 A CB -0.778 18.131 19.000 -0.152 0.000 0.824 769 A HN 0.318 nan 8.150 nan 0.000 0.444 770 V N 0.601 120.452 119.914 -0.106 0.000 2.255 770 V HA -0.285 3.835 4.120 -0.001 0.000 0.247 770 V C 2.612 178.663 176.094 -0.072 0.000 1.051 770 V CA 2.246 64.491 62.300 -0.093 0.000 1.018 770 V CB -0.838 30.941 31.823 -0.074 0.000 0.641 770 V HN 0.518 nan 8.190 nan 0.000 0.445 771 R N -0.361 120.101 120.500 -0.062 0.000 2.152 771 R HA -0.107 4.233 4.340 -0.001 0.000 0.232 771 R C 2.455 178.713 176.300 -0.071 0.000 1.117 771 R CA 1.076 57.142 56.100 -0.056 0.000 0.981 771 R CB -0.339 29.933 30.300 -0.046 0.000 0.870 771 R HN 0.536 nan 8.270 nan 0.000 0.451 772 R N 0.505 120.957 120.500 -0.079 0.000 2.057 772 R HA -0.006 4.334 4.340 -0.001 0.000 0.229 772 R C 2.395 178.649 176.300 -0.076 0.000 1.136 772 R CA 1.239 57.281 56.100 -0.096 0.000 0.952 772 R CB -0.421 29.832 30.300 -0.077 0.000 0.848 772 R HN 0.152 nan 8.270 nan 0.000 0.430 773 A N 1.476 124.269 122.820 -0.045 0.000 1.986 773 A HA -0.237 4.083 4.320 -0.001 0.000 0.220 773 A C 1.861 179.498 177.584 0.090 0.000 1.171 773 A CA 1.674 53.722 52.037 0.019 0.000 0.640 773 A CB -0.343 18.614 19.000 -0.072 0.000 0.811 773 A HN 0.382 nan 8.150 nan 0.000 0.451 774 E N -1.978 118.238 120.200 0.027 0.000 2.076 774 E HA 0.254 4.603 4.350 -0.001 0.000 0.190 774 E C 1.078 177.721 176.600 0.071 0.000 0.979 774 E CA 0.465 56.893 56.400 0.046 0.000 0.807 774 E CB -0.099 29.599 29.700 -0.003 0.000 0.761 774 E HN 0.803 nan 8.360 nan 0.000 0.454 775 G N 1.359 110.110 108.800 -0.081 0.000 2.427 775 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.193 775 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.193 775 G C -0.433 174.404 174.900 -0.106 0.000 1.086 775 G CA -0.446 44.523 45.100 -0.219 0.000 0.818 775 G HN 0.005 nan 8.290 nan 0.000 0.490 776 R N 0.210 120.658 120.500 -0.086 0.000 2.422 776 R HA 0.669 5.008 4.340 -0.001 0.000 0.307 776 R C 0.909 177.176 176.300 -0.054 0.000 1.004 776 R CA 0.102 56.169 56.100 -0.054 0.000 0.882 776 R CB 1.317 31.595 30.300 -0.037 0.000 1.164 776 R HN 1.737 nan 8.270 nan 0.000 0.489 777 A N 0.000 122.791 122.820 -0.048 0.000 2.254 777 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 777 A CA 0.000 52.015 52.037 -0.037 0.000 0.836 777 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486