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 1jro_1_B 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 0.000 174.500 174.600 -0.167 0.000 1.055 2 S CA 0.000 58.114 58.200 -0.144 0.000 1.107 2 S CB 0.000 63.128 63.200 -0.119 0.000 0.593 3 V N 2.532 122.289 119.914 -0.262 0.000 2.694 3 V HA 0.417 4.564 4.120 0.046 0.000 0.306 3 V C 1.721 177.688 176.094 -0.212 0.000 1.054 3 V CA 1.949 64.076 62.300 -0.287 0.000 1.161 3 V CB 0.536 32.005 31.823 -0.591 0.000 0.916 3 V HN 0.914 nan 8.190 nan 0.000 0.490 4 G N 3.938 112.656 108.800 -0.137 0.000 2.258 4 G HA2 -0.199 3.788 3.960 0.046 0.000 0.233 4 G HA3 -0.199 3.788 3.960 0.046 0.000 0.233 4 G C 0.237 175.095 174.900 -0.071 0.000 1.006 4 G CA 0.053 45.095 45.100 -0.097 0.000 0.620 4 G HN 0.603 nan 8.290 nan 0.000 0.511 5 K N 1.814 122.170 120.400 -0.074 0.000 2.174 5 K HA 0.429 4.776 4.320 0.046 0.000 0.275 5 K C -2.427 174.150 176.600 -0.038 0.000 1.015 5 K CA -1.420 54.836 56.287 -0.053 0.000 0.933 5 K CB 1.913 34.380 32.500 -0.053 0.000 1.025 5 K HN 0.091 nan 8.250 nan 0.000 0.463 6 P HA 0.135 nan 4.420 nan 0.000 0.231 6 P C -0.748 176.548 177.300 -0.008 0.000 1.811 6 P CA 0.009 63.100 63.100 -0.014 0.000 1.051 6 P CB 0.032 31.725 31.700 -0.012 0.000 1.951 7 L N 4.016 125.233 121.223 -0.010 0.000 2.334 7 L HA 0.439 4.807 4.340 0.046 0.000 0.277 7 L C -1.558 175.321 176.870 0.016 0.000 1.075 7 L CA -2.514 52.323 54.840 -0.004 0.000 0.804 7 L CB 0.969 43.017 42.059 -0.017 0.000 1.174 7 L HN 0.068 nan 8.230 nan 0.000 0.438 8 P HA -0.071 nan 4.420 nan 0.000 0.270 8 P C -0.555 176.798 177.300 0.088 0.000 1.223 8 P CA -0.166 62.972 63.100 0.064 0.000 0.785 8 P CB 0.378 32.110 31.700 0.053 0.000 0.923 9 H N 2.476 121.559 119.070 0.020 0.000 3.001 9 H HA -0.085 4.497 4.556 0.044 0.000 0.334 9 H C 1.420 176.741 175.328 -0.012 0.000 1.034 9 H CA 0.889 56.953 56.048 0.026 0.000 1.420 9 H CB 0.510 30.312 29.762 0.068 0.000 1.405 9 H HN 0.573 nan 8.280 nan 0.000 0.593 10 D N 2.264 122.567 120.400 -0.161 0.000 2.239 10 D HA -0.158 4.510 4.640 0.046 0.000 0.202 10 D C 0.304 176.609 176.300 0.008 0.000 0.993 10 D CA 1.144 55.104 54.000 -0.066 0.000 0.874 10 D CB 0.150 40.895 40.800 -0.093 0.000 0.922 10 D HN 0.249 nan 8.370 nan 0.000 0.464 11 S N -0.605 115.191 115.700 0.160 0.000 2.664 11 S HA 0.479 4.977 4.470 0.046 0.000 0.245 11 S C 1.433 175.738 174.600 -0.491 0.000 1.019 11 S CA -0.006 58.087 58.200 -0.179 0.000 0.996 11 S CB 0.980 64.000 63.200 -0.299 0.000 0.878 11 S HN 0.473 nan 8.310 nan 0.000 0.493 12 A N 2.657 125.382 122.820 -0.159 0.000 1.869 12 A HA -0.223 4.124 4.320 0.046 0.000 0.218 12 A C 2.043 179.596 177.584 -0.051 0.000 1.203 12 A CA 1.928 53.919 52.037 -0.078 0.000 0.638 12 A CB -0.533 18.489 19.000 0.036 0.000 0.831 12 A HN 0.498 nan 8.150 nan 0.000 0.450 13 R N -0.633 119.844 120.500 -0.038 0.000 2.073 13 R HA -0.072 4.295 4.340 0.046 0.000 0.234 13 R C 2.344 178.646 176.300 0.004 0.000 1.134 13 R CA 1.474 57.572 56.100 -0.003 0.000 0.952 13 R CB -0.476 29.822 30.300 -0.004 0.000 0.850 13 R HN 0.449 nan 8.270 nan 0.000 0.433 14 A N 0.126 122.924 122.820 -0.037 0.000 1.986 14 A HA -0.217 4.131 4.320 0.046 0.000 0.220 14 A C 1.775 179.419 177.584 0.100 0.000 1.171 14 A CA 1.712 53.746 52.037 -0.005 0.000 0.640 14 A CB -0.824 18.142 19.000 -0.056 0.000 0.811 14 A HN 0.599 nan 8.150 nan 0.000 0.451 15 H N -2.264 116.834 119.070 0.047 0.000 2.363 15 H HA -0.000 4.582 4.556 0.044 0.000 0.301 15 H C 1.959 177.323 175.328 0.060 0.000 1.074 15 H CA 0.992 57.080 56.048 0.066 0.000 1.354 15 H CB 0.166 29.949 29.762 0.034 0.000 1.397 15 H HN 0.311 nan 8.280 nan 0.000 0.516 16 V N 0.849 120.873 119.914 0.183 0.000 3.129 16 V HA -0.108 4.040 4.120 0.046 0.000 0.259 16 V C 1.923 178.068 176.094 0.084 0.000 1.116 16 V CA 1.897 64.267 62.300 0.117 0.000 1.127 16 V CB 0.050 31.928 31.823 0.092 0.000 0.742 16 V HN 0.621 nan 8.190 nan 0.000 0.474 17 T N -3.756 110.846 114.554 0.080 0.000 3.054 17 T HA 0.324 4.702 4.350 0.046 0.000 0.255 17 T C 1.406 176.146 174.700 0.067 0.000 1.035 17 T CA 0.589 62.725 62.100 0.059 0.000 0.941 17 T CB 0.695 69.588 68.868 0.043 0.000 1.026 17 T HN 0.806 nan 8.240 nan 0.000 0.533 18 G N 1.566 110.424 108.800 0.096 0.000 2.147 18 G HA2 -0.297 3.690 3.960 0.046 0.000 0.244 18 G HA3 -0.297 3.690 3.960 0.046 0.000 0.244 18 G C 0.529 175.482 174.900 0.087 0.000 1.005 18 G CA 0.477 45.638 45.100 0.101 0.000 0.713 18 G HN 0.562 nan 8.290 nan 0.000 0.515 19 Q N -0.514 119.331 119.800 0.076 0.000 2.402 19 Q HA 0.502 4.869 4.340 0.046 0.000 0.206 19 Q C 1.762 177.783 176.000 0.035 0.000 0.919 19 Q CA 0.521 56.350 55.803 0.045 0.000 0.923 19 Q CB 0.392 29.144 28.738 0.024 0.000 1.048 19 Q HN 0.867 nan 8.270 nan 0.000 0.515 20 A N 1.553 124.413 122.820 0.067 0.000 2.492 20 A HA 0.186 4.534 4.320 0.046 0.000 0.254 20 A C -0.442 177.069 177.584 -0.122 0.000 1.091 20 A CA 0.032 52.057 52.037 -0.019 0.000 0.768 20 A CB 0.127 19.174 19.000 0.078 0.000 1.028 20 A HN 0.206 nan 8.150 nan 0.000 0.498 21 R N 1.570 121.954 120.500 -0.194 0.000 2.349 21 R HA 0.497 4.864 4.340 0.046 0.000 0.299 21 R C -1.273 174.796 176.300 -0.385 0.000 1.027 21 R CA -0.128 55.868 56.100 -0.174 0.000 0.958 21 R CB 0.829 31.074 30.300 -0.091 0.000 1.047 21 R HN 0.737 nan 8.270 nan 0.000 0.468 22 Y N 0.912 121.213 120.300 0.002 0.000 2.568 22 Y HA 0.156 4.736 4.550 0.049 0.000 0.327 22 Y C 1.450 177.330 175.900 -0.033 0.000 1.163 22 Y CA -0.883 57.209 58.100 -0.012 0.000 1.219 22 Y CB 0.692 39.140 38.460 -0.019 0.000 1.308 22 Y HN 0.438 nan 8.280 nan 0.000 0.503 23 L N 0.887 122.178 121.223 0.114 0.000 2.010 23 L HA -0.311 4.057 4.340 0.046 0.000 0.219 23 L C 1.718 178.590 176.870 0.003 0.000 1.077 23 L CA 2.452 57.308 54.840 0.027 0.000 0.773 23 L CB -0.337 41.727 42.059 0.007 0.000 0.892 23 L HN 0.852 nan 8.230 nan 0.000 0.436 24 D N -1.129 119.279 120.400 0.014 0.000 2.378 24 D HA -0.156 4.512 4.640 0.046 0.000 0.222 24 D C 1.376 177.681 176.300 0.009 0.000 0.980 24 D CA 0.902 54.898 54.000 -0.007 0.000 0.907 24 D CB -0.051 40.730 40.800 -0.031 0.000 0.899 24 D HN 0.515 nan 8.370 nan 0.000 0.527 25 D N -0.489 119.931 120.400 0.033 0.000 2.346 25 D HA 0.012 4.680 4.640 0.046 0.000 0.206 25 D C 0.697 176.991 176.300 -0.010 0.000 1.001 25 D CA -0.028 53.989 54.000 0.028 0.000 0.871 25 D CB 0.170 41.009 40.800 0.064 0.000 0.943 25 D HN 0.297 nan 8.370 nan 0.000 0.518 26 L N 2.417 123.614 121.223 -0.043 0.000 2.559 26 L HA 0.050 4.417 4.340 0.046 0.000 0.282 26 L C -1.928 174.901 176.870 -0.068 0.000 1.232 26 L CA -1.103 53.685 54.840 -0.088 0.000 0.885 26 L CB -0.514 41.439 42.059 -0.177 0.000 1.131 26 L HN -0.240 nan 8.230 nan 0.000 0.498 27 P HA 0.129 nan 4.420 nan 0.000 0.271 27 P C -0.964 176.304 177.300 -0.053 0.000 1.216 27 P CA -0.433 62.641 63.100 -0.043 0.000 0.776 27 P CB 0.593 32.268 31.700 -0.042 0.000 0.881 28 C N 1.734 121.015 119.300 -0.031 0.000 3.171 28 C HA 0.724 5.212 4.460 0.046 0.000 0.308 28 C C -2.626 172.357 174.990 -0.012 0.000 1.334 28 C CA -2.453 56.545 59.018 -0.033 0.000 1.473 28 C CB 0.214 27.924 27.740 -0.049 0.000 1.866 28 C HN 0.366 nan 8.230 nan 0.000 0.465 29 P HA 0.278 nan 4.420 nan 0.000 0.267 29 P C 0.848 178.155 177.300 0.012 0.000 1.201 29 P CA 0.400 63.500 63.100 -0.001 0.000 0.775 29 P CB 0.377 32.075 31.700 -0.002 0.000 0.854 30 A N 2.752 125.583 122.820 0.018 0.000 1.948 30 A HA -0.225 4.123 4.320 0.046 0.000 0.220 30 A C 1.534 179.140 177.584 0.038 0.000 1.177 30 A CA 1.971 54.027 52.037 0.031 0.000 0.636 30 A CB -1.199 17.816 19.000 0.025 0.000 0.815 30 A HN 0.759 nan 8.150 nan 0.000 0.449 31 N N -0.123 118.592 118.700 0.026 0.000 2.421 31 N HA 0.010 4.777 4.740 0.046 0.000 0.201 31 N C -0.372 175.151 175.510 0.022 0.000 1.198 31 N CA 0.586 53.654 53.050 0.029 0.000 0.838 31 N CB -1.101 37.400 38.487 0.023 0.000 1.011 31 N HN 0.154 nan 8.380 nan 0.000 0.463 32 T N 1.877 116.436 114.554 0.008 0.000 2.853 32 T HA 0.186 4.564 4.350 0.046 0.000 0.298 32 T C 0.610 175.264 174.700 -0.078 0.000 0.978 32 T CA -0.263 61.803 62.100 -0.056 0.000 1.152 32 T CB 0.606 69.416 68.868 -0.097 0.000 0.914 32 T HN 0.143 nan 8.240 nan 0.000 0.539 33 L N 3.542 124.708 121.223 -0.095 0.000 2.454 33 L HA 0.454 4.822 4.340 0.046 0.000 0.256 33 L C 0.727 177.423 176.870 -0.290 0.000 1.136 33 L CA -0.924 53.887 54.840 -0.049 0.000 0.804 33 L CB 0.450 42.525 42.059 0.026 0.000 1.181 33 L HN 0.593 nan 8.230 nan 0.000 0.469 34 H N 1.632 120.734 119.070 0.053 0.000 2.572 34 H HA 0.585 5.171 4.556 0.049 0.000 0.359 34 H C -0.906 174.457 175.328 0.059 0.000 1.134 34 H CA -0.644 55.443 56.048 0.065 0.000 1.187 34 H CB 2.328 32.154 29.762 0.106 0.000 1.597 34 H HN 0.304 nan 8.280 nan 0.000 0.524 35 L N 1.199 122.490 121.223 0.113 0.000 2.341 35 L HA 0.834 5.202 4.340 0.046 0.000 0.267 35 L C -0.221 176.652 176.870 0.006 0.000 1.009 35 L CA -1.096 53.762 54.840 0.030 0.000 0.819 35 L CB 2.076 44.086 42.059 -0.081 0.000 1.323 35 L HN 0.617 nan 8.230 nan 0.000 0.425 36 A N 1.247 124.040 122.820 -0.045 0.000 2.547 36 A HA 0.732 5.080 4.320 0.046 0.000 0.297 36 A C -1.476 176.061 177.584 -0.078 0.000 1.056 36 A CA -0.420 51.586 52.037 -0.052 0.000 0.688 36 A CB 1.190 20.189 19.000 -0.002 0.000 1.282 36 A HN 0.531 nan 8.150 nan 0.000 0.400 37 F N 0.927 120.882 119.950 0.009 0.000 2.377 37 F HA 0.541 5.097 4.527 0.048 0.000 0.328 37 F C 1.335 176.921 175.800 -0.357 0.000 1.094 37 F CA -0.130 57.790 58.000 -0.134 0.000 1.093 37 F CB 1.831 40.797 39.000 -0.057 0.000 1.214 37 F HN 0.696 nan 8.300 nan 0.000 0.518 38 G N 3.265 111.685 108.800 -0.634 0.000 2.332 38 G HA2 0.601 4.588 3.960 0.046 0.000 0.310 38 G HA3 0.601 4.588 3.960 0.046 0.000 0.310 38 G C -1.137 173.501 174.900 -0.437 0.000 1.123 38 G CA -0.574 43.983 45.100 -0.905 0.000 0.873 38 G HN 0.489 nan 8.290 nan 0.000 0.460 39 L N 1.408 122.509 121.223 -0.203 0.000 2.334 39 L HA 0.523 4.891 4.340 0.046 0.000 0.272 39 L C 0.899 177.710 176.870 -0.099 0.000 1.020 39 L CA -1.015 53.722 54.840 -0.173 0.000 0.812 39 L CB 1.974 43.939 42.059 -0.156 0.000 1.264 39 L HN 0.560 nan 8.230 nan 0.000 0.439 40 S N -0.290 115.311 115.700 -0.166 0.000 2.549 40 S HA 0.097 4.595 4.470 0.046 0.000 0.279 40 S C 0.911 175.435 174.600 -0.126 0.000 1.321 40 S CA -0.193 57.965 58.200 -0.070 0.000 1.054 40 S CB 0.721 63.798 63.200 -0.203 0.000 0.899 40 S HN 0.745 nan 8.310 nan 0.000 0.497 41 T N 1.289 115.781 114.554 -0.103 0.000 3.122 41 T HA 0.318 4.695 4.350 0.046 0.000 0.250 41 T C -0.066 174.415 174.700 -0.366 0.000 1.067 41 T CA -0.262 61.714 62.100 -0.207 0.000 0.966 41 T CB -0.104 68.687 68.868 -0.128 0.000 1.002 41 T HN 0.551 nan 8.240 nan 0.000 0.542 42 E N 0.565 120.464 120.200 -0.502 0.000 2.222 42 E HA 0.628 5.006 4.350 0.046 0.000 0.267 42 E C 0.602 177.035 176.600 -0.279 0.000 0.884 42 E CA -0.536 55.588 56.400 -0.461 0.000 0.764 42 E CB 1.946 31.228 29.700 -0.697 0.000 1.169 42 E HN 0.156 nan 8.360 nan 0.000 0.413 43 A N 2.247 124.957 122.820 -0.183 0.000 2.015 43 A HA -0.049 4.299 4.320 0.046 0.000 0.219 43 A C 1.008 178.537 177.584 -0.091 0.000 1.163 43 A CA 1.140 53.119 52.037 -0.097 0.000 0.646 43 A CB 0.281 19.245 19.000 -0.060 0.000 0.806 43 A HN 0.299 nan 8.150 nan 0.000 0.448 44 S N -1.798 113.828 115.700 -0.122 0.000 2.599 44 S HA 0.592 5.089 4.470 0.046 0.000 0.269 44 S C -0.862 173.672 174.600 -0.110 0.000 1.135 44 S CA 0.244 58.379 58.200 -0.110 0.000 1.027 44 S CB 0.492 63.661 63.200 -0.052 0.000 1.129 44 S HN 1.612 nan 8.310 nan 0.000 0.458 45 A N 2.817 125.565 122.820 -0.119 0.000 2.567 45 A HA 0.874 5.221 4.320 0.046 0.000 0.291 45 A C -0.658 176.912 177.584 -0.023 0.000 1.048 45 A CA -0.214 51.800 52.037 -0.038 0.000 0.661 45 A CB 0.511 19.522 19.000 0.019 0.000 1.288 45 A HN 1.606 nan 8.150 nan 0.000 0.424 46 A N 0.494 123.320 122.820 0.010 0.000 2.316 46 A HA 0.729 5.076 4.320 0.046 0.000 0.284 46 A C -0.244 177.352 177.584 0.020 0.000 1.115 46 A CA -0.292 51.745 52.037 -0.001 0.000 0.812 46 A CB 0.059 19.058 19.000 -0.002 0.000 1.064 46 A HN 0.783 nan 8.150 nan 0.000 0.489 47 I N 1.332 121.885 120.570 -0.028 0.000 2.353 47 I HA 0.255 4.453 4.170 0.046 0.000 0.293 47 I C 1.008 177.067 176.117 -0.095 0.000 0.992 47 I CA -0.088 61.145 61.300 -0.111 0.000 1.268 47 I CB 1.902 39.819 38.000 -0.138 0.000 1.387 47 I HN 0.782 nan 8.210 nan 0.000 0.478 48 T N 3.362 117.841 114.554 -0.125 0.000 2.999 48 T HA 0.256 4.633 4.350 0.046 0.000 0.247 48 T C 0.354 175.004 174.700 -0.084 0.000 1.012 48 T CA 0.050 62.105 62.100 -0.076 0.000 1.048 48 T CB 0.532 69.370 68.868 -0.050 0.000 1.020 48 T HN 0.771 nan 8.240 nan 0.000 0.478 49 G N 0.959 109.684 108.800 -0.126 0.000 2.682 49 G HA2 0.593 4.580 3.960 0.046 0.000 0.300 49 G HA3 0.593 4.580 3.960 0.046 0.000 0.300 49 G C -2.172 172.638 174.900 -0.150 0.000 1.391 49 G CA -0.371 44.661 45.100 -0.112 0.000 0.990 49 G HN 0.163 nan 8.290 nan 0.000 0.501 50 L N 2.063 123.211 121.223 -0.124 0.000 2.490 50 L HA 0.467 4.834 4.340 0.046 0.000 0.256 50 L C -1.118 175.670 176.870 -0.138 0.000 1.089 50 L CA -0.901 53.855 54.840 -0.140 0.000 0.916 50 L CB 1.462 43.450 42.059 -0.119 0.000 1.188 50 L HN 0.523 nan 8.230 nan 0.000 0.476 51 D N 3.469 123.788 120.400 -0.135 0.000 2.347 51 D HA 0.254 4.921 4.640 0.046 0.000 0.235 51 D C 0.552 176.746 176.300 -0.177 0.000 1.149 51 D CA 0.055 53.979 54.000 -0.127 0.000 0.850 51 D CB 0.903 41.648 40.800 -0.092 0.000 1.061 51 D HN 0.563 nan 8.370 nan 0.000 0.487 52 L N 3.092 124.195 121.223 -0.199 0.000 2.667 52 L HA 0.167 4.534 4.340 0.046 0.000 0.232 52 L C 1.707 178.473 176.870 -0.172 0.000 1.138 52 L CA -0.123 54.557 54.840 -0.266 0.000 0.921 52 L CB 0.179 42.048 42.059 -0.316 0.000 1.180 52 L HN 0.369 nan 8.230 nan 0.000 0.487 53 E N 1.497 121.625 120.200 -0.120 0.000 2.058 53 E HA -0.179 4.198 4.350 0.046 0.000 0.194 53 E C -0.748 175.811 176.600 -0.068 0.000 0.997 53 E CA 1.719 58.068 56.400 -0.084 0.000 0.801 53 E CB -0.691 28.970 29.700 -0.065 0.000 0.746 53 E HN 0.246 nan 8.360 nan 0.000 0.450 54 P HA -0.126 nan 4.420 nan 0.000 0.219 54 P C 1.160 178.440 177.300 -0.033 0.000 1.146 54 P CA 0.894 63.971 63.100 -0.039 0.000 0.808 54 P CB 0.087 31.768 31.700 -0.031 0.000 0.779 55 V N 0.289 120.166 119.914 -0.061 0.000 2.283 55 V HA -0.187 3.960 4.120 0.046 0.000 0.243 55 V C 2.447 178.526 176.094 -0.025 0.000 1.039 55 V CA 1.652 63.932 62.300 -0.034 0.000 1.016 55 V CB -1.051 30.720 31.823 -0.086 0.000 0.650 55 V HN 0.051 nan 8.190 nan 0.000 0.449 56 R N 0.216 120.683 120.500 -0.055 0.000 2.159 56 R HA -0.184 4.184 4.340 0.046 0.000 0.237 56 R C 1.952 178.236 176.300 -0.026 0.000 1.131 56 R CA 1.525 57.599 56.100 -0.044 0.000 0.982 56 R CB -0.260 30.003 30.300 -0.063 0.000 0.868 56 R HN 0.637 nan 8.270 nan 0.000 0.453 57 E N 0.203 120.389 120.200 -0.024 0.000 2.474 57 E HA 0.043 4.421 4.350 0.046 0.000 0.194 57 E C 0.143 176.740 176.600 -0.004 0.000 1.041 57 E CA -0.212 56.180 56.400 -0.014 0.000 0.874 57 E CB 0.493 30.183 29.700 -0.017 0.000 0.914 57 E HN -0.004 nan 8.360 nan 0.000 0.498 58 S N 1.816 117.517 115.700 0.003 0.000 2.562 58 S HA 0.113 4.610 4.470 0.046 0.000 0.281 58 S C -2.371 172.237 174.600 0.015 0.000 1.333 58 S CA -1.621 56.586 58.200 0.013 0.000 1.052 58 S CB 0.459 63.673 63.200 0.024 0.000 0.884 58 S HN -0.144 nan 8.310 nan 0.000 0.506 59 P HA 0.183 nan 4.420 nan 0.000 0.264 59 P C 0.751 178.063 177.300 0.020 0.000 1.183 59 P CA 0.951 64.060 63.100 0.014 0.000 0.763 59 P CB 0.198 31.905 31.700 0.012 0.000 0.807 60 G N 1.137 109.950 108.800 0.022 0.000 2.162 60 G HA2 -0.216 3.771 3.960 0.046 0.000 0.260 60 G HA3 -0.216 3.771 3.960 0.046 0.000 0.260 60 G C 0.093 175.018 174.900 0.041 0.000 0.976 60 G CA -0.124 44.995 45.100 0.031 0.000 0.655 60 G HN 0.539 nan 8.290 nan 0.000 0.533 61 V N 1.873 121.808 119.914 0.035 0.000 2.465 61 V HA 0.437 4.584 4.120 0.046 0.000 0.279 61 V C 1.476 177.590 176.094 0.032 0.000 1.045 61 V CA -0.446 61.879 62.300 0.042 0.000 0.938 61 V CB 1.474 33.318 31.823 0.035 0.000 0.986 61 V HN 0.169 nan 8.190 nan 0.000 0.467 62 I N 2.851 123.447 120.570 0.044 0.000 3.039 62 I HA 0.380 4.578 4.170 0.046 0.000 0.270 62 I C 0.867 176.983 176.117 -0.002 0.000 1.150 62 I CA 0.834 62.153 61.300 0.031 0.000 1.448 62 I CB 0.106 38.139 38.000 0.055 0.000 1.197 62 I HN 0.669 nan 8.210 nan 0.000 0.450 63 A N 0.528 123.344 122.820 -0.006 0.000 2.572 63 A HA 0.724 5.071 4.320 0.046 0.000 0.295 63 A C -1.291 176.185 177.584 -0.180 0.000 1.072 63 A CA -0.355 51.588 52.037 -0.158 0.000 0.691 63 A CB 2.092 20.975 19.000 -0.195 0.000 1.291 63 A HN -0.154 nan 8.150 nan 0.000 0.404 64 V N 0.990 120.667 119.914 -0.395 0.000 2.709 64 V HA 0.728 4.876 4.120 0.046 0.000 0.308 64 V C -1.307 174.565 176.094 -0.371 0.000 1.062 64 V CA -0.324 61.865 62.300 -0.185 0.000 0.901 64 V CB 1.525 33.289 31.823 -0.099 0.000 1.003 64 V HN 0.761 nan 8.190 nan 0.000 0.425 65 F N 1.057 121.109 119.950 0.169 0.000 2.603 65 F HA 0.811 5.366 4.527 0.047 0.000 0.317 65 F C 0.369 176.285 175.800 0.193 0.000 1.066 65 F CA -0.543 57.547 58.000 0.149 0.000 0.941 65 F CB 2.627 41.713 39.000 0.144 0.000 1.291 65 F HN 0.358 nan 8.300 nan 0.000 0.472 66 T N -0.067 114.685 114.554 0.331 0.000 2.883 66 T HA 0.515 4.893 4.350 0.046 0.000 0.301 66 T C 0.685 175.505 174.700 0.201 0.000 1.158 66 T CA 0.001 62.242 62.100 0.235 0.000 1.007 66 T CB 1.816 70.763 68.868 0.131 0.000 1.186 66 T HN 0.714 nan 8.240 nan 0.000 0.499 67 A N 1.255 124.169 122.820 0.157 0.000 1.971 67 A HA -0.085 4.263 4.320 0.046 0.000 0.222 67 A C 2.248 179.893 177.584 0.103 0.000 1.182 67 A CA 2.522 54.634 52.037 0.124 0.000 0.649 67 A CB -0.971 18.090 19.000 0.101 0.000 0.818 67 A HN 0.967 nan 8.150 nan 0.000 0.458 68 A N -0.906 121.968 122.820 0.090 0.000 2.206 68 A HA -0.003 4.344 4.320 0.046 0.000 0.211 68 A C 1.371 179.002 177.584 0.079 0.000 1.158 68 A CA 1.279 53.356 52.037 0.066 0.000 0.761 68 A CB -0.247 18.780 19.000 0.044 0.000 0.801 68 A HN 0.510 nan 8.150 nan 0.000 0.473 69 D N -0.270 120.208 120.400 0.130 0.000 2.354 69 D HA 0.097 4.765 4.640 0.046 0.000 0.209 69 D C 0.407 176.800 176.300 0.155 0.000 1.015 69 D CA 0.068 54.170 54.000 0.171 0.000 0.867 69 D CB -0.016 40.960 40.800 0.294 0.000 0.933 69 D HN 0.344 nan 8.370 nan 0.000 0.520 70 L N 3.146 124.442 121.223 0.121 0.000 2.534 70 L HA 0.014 4.381 4.340 0.046 0.000 0.271 70 L C -0.850 176.039 176.870 0.031 0.000 1.178 70 L CA -0.803 54.088 54.840 0.085 0.000 0.907 70 L CB 0.480 42.590 42.059 0.084 0.000 1.164 70 L HN -0.161 nan 8.230 nan 0.000 0.482 71 P HA -0.082 nan 4.420 nan 0.000 0.218 71 P C 0.171 177.209 177.300 -0.437 0.000 1.149 71 P CA 1.524 64.542 63.100 -0.137 0.000 0.817 71 P CB 0.423 32.135 31.700 0.020 0.000 0.785 72 H N -2.507 116.595 119.070 0.053 0.000 4.959 72 H HA 0.267 4.850 4.556 0.046 0.000 0.286 72 H C -0.243 175.114 175.328 0.048 0.000 1.272 72 H CA -0.657 55.420 56.048 0.049 0.000 0.338 72 H CB -0.675 29.122 29.762 0.058 0.000 1.461 72 H HN -0.262 nan 8.280 nan 0.000 0.496 73 D N 0.909 121.436 120.400 0.212 0.000 2.423 73 D HA 0.085 4.752 4.640 0.046 0.000 0.238 73 D C -0.166 176.195 176.300 0.102 0.000 1.142 73 D CA 0.434 54.506 54.000 0.121 0.000 0.884 73 D CB 0.298 41.166 40.800 0.112 0.000 1.199 73 D HN 0.314 nan 8.370 nan 0.000 0.438 74 N N 1.811 120.558 118.700 0.077 0.000 2.762 74 N HA 0.216 4.983 4.740 0.046 0.000 0.252 74 N C -2.068 173.476 175.510 0.057 0.000 1.269 74 N CA -0.581 52.512 53.050 0.072 0.000 0.799 74 N CB 0.227 38.763 38.487 0.081 0.000 1.173 74 N HN 0.260 nan 8.380 nan 0.000 0.516 75 D N 0.974 121.393 120.400 0.031 0.000 2.333 75 D HA 0.335 5.002 4.640 0.046 0.000 0.225 75 D C -0.408 175.860 176.300 -0.052 0.000 1.345 75 D CA -0.427 53.575 54.000 0.004 0.000 0.971 75 D CB 0.913 41.725 40.800 0.020 0.000 1.451 75 D HN 0.251 nan 8.370 nan 0.000 0.561 76 A N 2.626 125.364 122.820 -0.137 0.000 2.275 76 A HA 0.259 4.607 4.320 0.046 0.000 0.212 76 A C 1.109 178.618 177.584 -0.125 0.000 1.201 76 A CA -0.017 51.886 52.037 -0.223 0.000 0.843 76 A CB 0.053 18.668 19.000 -0.642 0.000 0.873 76 A HN 0.405 nan 8.150 nan 0.000 0.492 77 S N 1.137 116.781 115.700 -0.093 0.000 2.560 77 S HA 0.243 4.741 4.470 0.046 0.000 0.284 77 S C -1.556 172.994 174.600 -0.084 0.000 1.327 77 S CA -0.806 57.342 58.200 -0.087 0.000 1.055 77 S CB 0.665 63.799 63.200 -0.110 0.000 0.868 77 S HN 0.294 nan 8.310 nan 0.000 0.506 78 P HA 0.301 nan 4.420 nan 0.000 0.256 78 P C -0.475 176.801 177.300 -0.040 0.000 1.384 78 P CA 0.076 63.146 63.100 -0.049 0.000 0.879 78 P CB -0.156 31.551 31.700 0.011 0.000 1.403 79 A N 0.331 123.116 122.820 -0.059 0.000 2.532 79 A HA 0.660 5.007 4.320 0.046 0.000 0.290 79 A C -2.092 175.469 177.584 -0.040 0.000 1.143 79 A CA -1.389 50.621 52.037 -0.046 0.000 0.728 79 A CB 0.389 19.341 19.000 -0.080 0.000 1.317 79 A HN -0.257 nan 8.150 nan 0.000 0.414 80 P HA -0.033 nan 4.420 nan 0.000 0.218 80 P C 0.485 177.776 177.300 -0.015 0.000 1.149 80 P CA 1.446 64.543 63.100 -0.005 0.000 0.817 80 P CB -0.059 31.644 31.700 0.006 0.000 0.785 81 S N -0.351 115.328 115.700 -0.035 0.000 2.537 81 S HA 0.464 4.962 4.470 0.046 0.000 0.275 81 S C -2.590 171.977 174.600 -0.056 0.000 1.272 81 S CA -1.631 56.552 58.200 -0.029 0.000 1.050 81 S CB 0.310 63.501 63.200 -0.015 0.000 0.961 81 S HN -0.072 nan 8.310 nan 0.000 0.496 82 P HA 0.338 nan 4.420 nan 0.000 0.274 82 P C -0.800 176.464 177.300 -0.060 0.000 1.231 82 P CA -0.399 62.684 63.100 -0.029 0.000 0.790 82 P CB 0.439 32.146 31.700 0.012 0.000 0.951 83 E N 2.876 123.040 120.200 -0.059 0.000 2.279 83 E HA 0.284 4.661 4.350 0.046 0.000 0.252 83 E C -2.509 174.151 176.600 0.101 0.000 0.894 83 E CA -2.723 53.639 56.400 -0.062 0.000 0.785 83 E CB 1.265 30.854 29.700 -0.185 0.000 1.237 83 E HN 0.280 nan 8.360 nan 0.000 0.418 84 P HA -0.033 nan 4.420 nan 0.000 0.270 84 P C 0.505 177.921 177.300 0.194 0.000 1.223 84 P CA -0.191 63.023 63.100 0.190 0.000 0.785 84 P CB 1.509 33.345 31.700 0.226 0.000 0.923 85 V N 1.484 121.459 119.914 0.101 0.000 2.436 85 V HA 0.002 4.149 4.120 0.046 0.000 0.240 85 V C 1.221 177.369 176.094 0.089 0.000 1.040 85 V CA 1.215 63.566 62.300 0.084 0.000 1.052 85 V CB -0.422 31.435 31.823 0.057 0.000 0.707 85 V HN 0.369 nan 8.190 nan 0.000 0.469 86 L N 0.797 122.081 121.223 0.101 0.000 2.295 86 L HA 0.640 5.008 4.340 0.046 0.000 0.285 86 L C 0.392 177.316 176.870 0.090 0.000 1.035 86 L CA -0.676 54.213 54.840 0.082 0.000 0.806 86 L CB 1.250 43.396 42.059 0.145 0.000 1.214 86 L HN 0.199 nan 8.230 nan 0.000 0.426 87 A N 1.772 124.622 122.820 0.050 0.000 2.598 87 A HA 0.172 4.519 4.320 0.046 0.000 0.239 87 A C 0.676 178.309 177.584 0.082 0.000 1.032 87 A CA 0.263 52.336 52.037 0.059 0.000 0.760 87 A CB -0.331 18.666 19.000 -0.005 0.000 0.946 87 A HN 0.754 nan 8.150 nan 0.000 0.512 88 T N 0.824 115.443 114.554 0.108 0.000 3.355 88 T HA 0.524 4.902 4.350 0.046 0.000 0.376 88 T C 1.158 175.903 174.700 0.074 0.000 1.683 88 T CA 0.340 62.497 62.100 0.095 0.000 1.269 88 T CB 0.139 69.075 68.868 0.113 0.000 1.158 88 T HN 2.373 nan 8.240 nan 0.000 0.703 89 G N 2.364 111.188 108.800 0.040 0.000 2.267 89 G HA2 -0.245 3.742 3.960 0.046 0.000 0.257 89 G HA3 -0.245 3.742 3.960 0.046 0.000 0.257 89 G C -0.152 174.746 174.900 -0.003 0.000 0.998 89 G CA 0.458 45.569 45.100 0.017 0.000 0.620 89 G HN 1.027 nan 8.290 nan 0.000 0.529 90 E N -1.141 119.055 120.200 -0.007 0.000 2.433 90 E HA 0.710 5.087 4.350 0.046 0.000 0.278 90 E C -0.457 176.047 176.600 -0.160 0.000 0.976 90 E CA -0.781 55.563 56.400 -0.093 0.000 0.793 90 E CB 2.406 32.019 29.700 -0.145 0.000 1.311 90 E HN 1.047 nan 8.360 nan 0.000 0.460 91 V N -1.997 117.749 119.914 -0.280 0.000 2.960 91 V HA 0.514 4.661 4.120 0.046 0.000 0.315 91 V C -0.296 175.497 176.094 -0.503 0.000 1.087 91 V CA -0.563 61.556 62.300 -0.303 0.000 0.982 91 V CB 1.747 33.456 31.823 -0.190 0.000 1.039 91 V HN 0.929 nan 8.190 nan 0.000 0.437 92 H N 2.076 120.958 119.070 -0.313 0.000 3.398 92 H HA 0.404 4.987 4.556 0.046 0.000 0.260 92 H C -0.434 174.854 175.328 -0.066 0.000 1.189 92 H CA 0.617 56.583 56.048 -0.136 0.000 1.145 92 H CB 1.180 30.971 29.762 0.048 0.000 1.599 92 H HN 0.772 nan 8.280 nan 0.000 0.615 93 F N -1.908 117.863 119.950 -0.300 0.000 2.807 93 F HA 0.473 5.027 4.527 0.045 0.000 0.316 93 F C -1.800 173.879 175.800 -0.203 0.000 1.162 93 F CA -1.386 56.471 58.000 -0.238 0.000 0.910 93 F CB 0.829 39.664 39.000 -0.275 0.000 1.314 93 F HN -0.348 nan 8.300 nan 0.000 0.454 94 V N 2.383 122.318 119.914 0.034 0.000 2.405 94 V HA 0.533 4.681 4.120 0.046 0.000 0.264 94 V C 0.733 176.788 176.094 -0.065 0.000 1.048 94 V CA 1.097 63.337 62.300 -0.101 0.000 0.966 94 V CB -0.005 31.803 31.823 -0.024 0.000 1.015 94 V HN 1.472 nan 8.190 nan 0.000 0.477 95 G N 3.932 112.521 108.800 -0.352 0.000 2.421 95 G HA2 -0.164 3.823 3.960 0.046 0.000 0.188 95 G HA3 -0.164 3.823 3.960 0.046 0.000 0.188 95 G C 0.320 174.801 174.900 -0.699 0.000 1.001 95 G CA 0.051 44.975 45.100 -0.293 0.000 0.693 95 G HN 0.666 nan 8.290 nan 0.000 0.479 96 Q N 1.906 120.827 119.800 -1.464 0.000 2.274 96 Q HA 0.380 4.748 4.340 0.046 0.000 0.280 96 Q C -2.364 173.299 176.000 -0.562 0.000 1.047 96 Q CA -1.129 53.955 55.803 -1.199 0.000 0.907 96 Q CB 0.693 28.617 28.738 -1.357 0.000 1.171 96 Q HN 0.210 nan 8.270 nan 0.000 0.381 97 P HA 0.012 nan 4.420 nan 0.000 0.271 97 P C -0.495 176.638 177.300 -0.278 0.000 1.216 97 P CA 0.495 63.313 63.100 -0.470 0.000 0.771 97 P CB 0.644 31.733 31.700 -1.017 0.000 0.864 98 I N 1.882 122.350 120.570 -0.170 0.000 4.197 98 I HA 0.195 4.393 4.170 0.046 0.000 0.307 98 I C 0.396 176.621 176.117 0.180 0.000 1.236 98 I CA 0.234 61.540 61.300 0.009 0.000 1.321 98 I CB 0.228 38.279 38.000 0.085 0.000 1.309 98 I HN 0.280 nan 8.210 nan 0.000 0.450 99 F N 0.160 120.184 119.950 0.123 0.000 2.692 99 F HA 0.790 5.344 4.527 0.045 0.000 0.320 99 F C -1.428 174.571 175.800 0.331 0.000 1.123 99 F CA -1.520 56.597 58.000 0.194 0.000 0.961 99 F CB 1.395 40.472 39.000 0.128 0.000 1.383 99 F HN -0.289 nan 8.300 nan 0.000 0.483 100 L N 2.208 123.757 121.223 0.543 0.000 2.409 100 L HA 0.813 5.181 4.340 0.046 0.000 0.272 100 L C -1.631 175.522 176.870 0.471 0.000 0.980 100 L CA -0.722 54.376 54.840 0.429 0.000 0.826 100 L CB 1.993 44.294 42.059 0.402 0.000 1.268 100 L HN 0.626 nan 8.230 nan 0.000 0.407 101 V N 3.965 124.063 119.914 0.307 0.000 2.513 101 V HA 0.902 5.050 4.120 0.046 0.000 0.299 101 V C 0.115 176.329 176.094 0.199 0.000 1.035 101 V CA -0.374 62.085 62.300 0.265 0.000 0.889 101 V CB 1.334 33.286 31.823 0.216 0.000 0.988 101 V HN 0.959 nan 8.190 nan 0.000 0.440 102 A N 3.516 126.463 122.820 0.211 0.000 2.304 102 A HA 0.981 5.328 4.320 0.046 0.000 0.314 102 A C -0.101 177.565 177.584 0.137 0.000 1.187 102 A CA 0.011 52.154 52.037 0.175 0.000 0.810 102 A CB 1.310 20.447 19.000 0.229 0.000 1.183 102 A HN 1.429 nan 8.150 nan 0.000 0.487 103 A N 1.062 123.963 122.820 0.135 0.000 2.504 103 A HA 0.796 5.144 4.320 0.046 0.000 0.285 103 A C 0.738 178.411 177.584 0.149 0.000 1.261 103 A CA 0.288 52.395 52.037 0.116 0.000 0.741 103 A CB 0.275 19.332 19.000 0.095 0.000 1.327 103 A HN 1.409 nan 8.150 nan 0.000 0.441 104 T N -1.508 113.119 114.554 0.121 0.000 3.144 104 T HA 0.425 4.802 4.350 0.046 0.000 0.249 104 T C 0.422 175.201 174.700 0.132 0.000 1.089 104 T CA 0.674 62.862 62.100 0.146 0.000 0.989 104 T CB -0.897 68.022 68.868 0.085 0.000 0.992 104 T HN 1.818 nan 8.240 nan 0.000 0.540 105 S N -0.768 114.975 115.700 0.071 0.000 2.547 105 S HA 0.315 4.813 4.470 0.046 0.000 0.270 105 S C 0.427 174.990 174.600 -0.062 0.000 1.150 105 S CA -0.798 57.313 58.200 -0.148 0.000 0.850 105 S CB 1.160 64.288 63.200 -0.120 0.000 1.118 105 S HN 0.227 nan 8.310 nan 0.000 0.461 106 H N 2.049 120.945 119.070 -0.289 0.000 2.289 106 H HA -0.090 4.495 4.556 0.048 0.000 0.296 106 H C 1.875 177.191 175.328 -0.021 0.000 1.091 106 H CA 2.176 58.186 56.048 -0.064 0.000 1.274 106 H CB -0.041 29.675 29.762 -0.076 0.000 1.364 106 H HN 0.571 nan 8.280 nan 0.000 0.490 107 R N 0.259 120.698 120.500 -0.101 0.000 2.080 107 R HA -0.119 4.249 4.340 0.046 0.000 0.236 107 R C 2.570 178.819 176.300 -0.085 0.000 1.137 107 R CA 1.093 57.120 56.100 -0.122 0.000 0.943 107 R CB -0.848 29.427 30.300 -0.042 0.000 0.846 107 R HN 0.396 nan 8.270 nan 0.000 0.431 108 A N 1.181 123.977 122.820 -0.040 0.000 1.986 108 A HA -0.155 4.192 4.320 0.046 0.000 0.220 108 A C 2.377 179.960 177.584 -0.001 0.000 1.171 108 A CA 1.909 53.940 52.037 -0.010 0.000 0.640 108 A CB -0.510 18.496 19.000 0.010 0.000 0.811 108 A HN 0.439 nan 8.150 nan 0.000 0.451 109 A N -0.367 122.448 122.820 -0.008 0.000 1.898 109 A HA -0.135 4.213 4.320 0.046 0.000 0.216 109 A C 2.263 179.838 177.584 -0.016 0.000 1.181 109 A CA 1.359 53.405 52.037 0.015 0.000 0.620 109 A CB -0.451 18.576 19.000 0.046 0.000 0.819 109 A HN 0.532 nan 8.150 nan 0.000 0.442 110 R N -0.571 119.868 120.500 -0.102 0.000 2.073 110 R HA -0.083 4.284 4.340 0.046 0.000 0.234 110 R C 2.074 178.362 176.300 -0.020 0.000 1.134 110 R CA 1.628 57.675 56.100 -0.088 0.000 0.952 110 R CB -0.604 29.592 30.300 -0.173 0.000 0.850 110 R HN 0.566 nan 8.270 nan 0.000 0.433 111 I N 0.680 121.239 120.570 -0.019 0.000 2.163 111 I HA -0.311 3.886 4.170 0.046 0.000 0.243 111 I C 2.611 178.753 176.117 0.040 0.000 1.085 111 I CA 1.507 62.813 61.300 0.009 0.000 1.347 111 I CB -0.420 37.582 38.000 0.003 0.000 1.044 111 I HN 0.215 nan 8.210 nan 0.000 0.408 112 A N 0.500 123.351 122.820 0.052 0.000 1.972 112 A HA -0.109 4.238 4.320 0.046 0.000 0.219 112 A C 2.424 180.101 177.584 0.154 0.000 1.169 112 A CA 1.563 53.653 52.037 0.089 0.000 0.635 112 A CB -0.732 18.323 19.000 0.093 0.000 0.810 112 A HN 0.454 nan 8.150 nan 0.000 0.446 113 A N -0.670 122.236 122.820 0.144 0.000 2.225 113 A HA -0.061 4.287 4.320 0.046 0.000 0.215 113 A C 1.959 179.650 177.584 0.178 0.000 1.164 113 A CA 1.141 53.288 52.037 0.184 0.000 0.710 113 A CB -0.375 18.649 19.000 0.040 0.000 0.780 113 A HN 0.520 nan 8.150 nan 0.000 0.473 114 R N -0.854 119.721 120.500 0.125 0.000 2.359 114 R HA 0.149 4.516 4.340 0.046 0.000 0.231 114 R C 0.606 176.972 176.300 0.110 0.000 0.913 114 R CA 0.212 56.375 56.100 0.106 0.000 1.075 114 R CB 0.184 30.521 30.300 0.061 0.000 1.087 114 R HN 0.360 nan 8.270 nan 0.000 0.515 115 K N 0.012 120.486 120.400 0.124 0.000 2.414 115 K HA 0.268 4.616 4.320 0.046 0.000 0.204 115 K C 0.059 176.687 176.600 0.046 0.000 1.026 115 K CA -0.241 56.089 56.287 0.070 0.000 1.108 115 K CB 1.400 33.926 32.500 0.044 0.000 0.855 115 K HN 0.031 nan 8.250 nan 0.000 0.517 116 A N 1.684 124.555 122.820 0.085 0.000 2.313 116 A HA 0.345 4.693 4.320 0.046 0.000 0.261 116 A C -0.219 177.364 177.584 -0.002 0.000 1.090 116 A CA -0.322 51.701 52.037 -0.023 0.000 0.807 116 A CB 0.401 19.342 19.000 -0.098 0.000 1.055 116 A HN 0.214 nan 8.150 nan 0.000 0.492 117 R N 0.891 121.359 120.500 -0.053 0.000 2.320 117 R HA 0.515 4.883 4.340 0.046 0.000 0.319 117 R C -1.424 174.829 176.300 -0.080 0.000 0.969 117 R CA -0.068 56.008 56.100 -0.040 0.000 0.857 117 R CB 1.057 31.332 30.300 -0.043 0.000 1.160 117 R HN 0.645 nan 8.270 nan 0.000 0.491 118 I N 2.120 122.639 120.570 -0.085 0.000 2.509 118 I HA 0.304 4.501 4.170 0.046 0.000 0.293 118 I C 0.297 176.258 176.117 -0.260 0.000 1.020 118 I CA -0.812 60.350 61.300 -0.231 0.000 1.088 118 I CB 2.513 40.327 38.000 -0.311 0.000 1.267 118 I HN 0.517 nan 8.210 nan 0.000 0.430 119 T N 1.797 116.169 114.554 -0.304 0.000 2.823 119 T HA 0.665 5.042 4.350 0.046 0.000 0.279 119 T C -0.900 173.629 174.700 -0.285 0.000 0.998 119 T CA -0.657 61.337 62.100 -0.177 0.000 0.994 119 T CB 1.184 70.009 68.868 -0.072 0.000 0.960 119 T HN 0.267 nan 8.240 nan 0.000 0.448 120 Y N 0.439 120.724 120.300 -0.025 0.000 2.549 120 Y HA 0.669 5.246 4.550 0.045 0.000 0.339 120 Y C 0.278 176.160 175.900 -0.030 0.000 1.053 120 Y CA -1.580 56.499 58.100 -0.034 0.000 1.105 120 Y CB 1.923 40.357 38.460 -0.044 0.000 1.258 120 Y HN 0.950 nan 8.280 nan 0.000 0.478 121 A N 3.202 126.104 122.820 0.136 0.000 2.654 121 A HA 0.594 4.942 4.320 0.046 0.000 0.345 121 A C -2.802 174.811 177.584 0.049 0.000 1.368 121 A CA -1.800 50.277 52.037 0.067 0.000 0.895 121 A CB -0.463 18.557 19.000 0.033 0.000 1.143 121 A HN 0.417 nan 8.150 nan 0.000 0.490 122 P HA 0.228 nan 4.420 nan 0.000 0.268 122 P C -0.210 177.084 177.300 -0.011 0.000 1.208 122 P CA 0.299 63.393 63.100 -0.010 0.000 0.777 122 P CB 0.488 32.173 31.700 -0.026 0.000 0.875 123 R N 1.644 122.130 120.500 -0.024 0.000 2.808 123 R HA 0.498 4.866 4.340 0.046 0.000 0.272 123 R C -2.612 173.677 176.300 -0.019 0.000 0.995 123 R CA -2.160 53.930 56.100 -0.017 0.000 0.917 123 R CB 0.426 30.715 30.300 -0.017 0.000 1.217 123 R HN 0.273 nan 8.270 nan 0.000 0.471 124 P HA 0.024 nan 4.420 nan 0.000 0.262 124 P C -1.137 176.157 177.300 -0.011 0.000 1.182 124 P CA 0.112 63.207 63.100 -0.009 0.000 0.761 124 P CB 0.561 32.258 31.700 -0.004 0.000 0.795 125 A N 3.957 126.768 122.820 -0.015 0.000 2.317 125 A HA 0.561 4.908 4.320 0.046 0.000 0.327 125 A C -0.073 177.499 177.584 -0.020 0.000 1.178 125 A CA -0.829 51.198 52.037 -0.018 0.000 0.817 125 A CB 0.354 19.337 19.000 -0.030 0.000 1.189 125 A HN 0.508 nan 8.150 nan 0.000 0.489 126 I N 3.385 123.944 120.570 -0.019 0.000 2.281 126 I HA 0.133 4.330 4.170 0.046 0.000 0.293 126 I C 0.185 176.260 176.117 -0.069 0.000 1.085 126 I CA 0.218 61.496 61.300 -0.037 0.000 1.257 126 I CB 0.529 38.509 38.000 -0.034 0.000 1.430 126 I HN 0.630 nan 8.210 nan 0.000 0.489 127 L N 4.744 125.917 121.223 -0.083 0.000 2.693 127 L HA 0.221 4.589 4.340 0.046 0.000 0.235 127 L C 0.641 177.425 176.870 -0.144 0.000 1.127 127 L CA 0.014 54.769 54.840 -0.142 0.000 0.914 127 L CB -0.173 41.807 42.059 -0.131 0.000 1.193 127 L HN 0.591 nan 8.230 nan 0.000 0.502 128 T N -4.132 110.366 114.554 -0.094 0.000 2.893 128 T HA 0.405 4.782 4.350 0.046 0.000 0.291 128 T C 0.890 175.543 174.700 -0.078 0.000 1.028 128 T CA -0.751 61.301 62.100 -0.081 0.000 0.995 128 T CB 2.336 71.179 68.868 -0.042 0.000 1.051 128 T HN -0.270 nan 8.240 nan 0.000 0.470 129 L N 1.807 122.984 121.223 -0.076 0.000 2.010 129 L HA -0.133 4.234 4.340 0.046 0.000 0.219 129 L C 2.100 178.928 176.870 -0.070 0.000 1.077 129 L CA 2.082 56.876 54.840 -0.076 0.000 0.773 129 L CB -1.750 40.268 42.059 -0.068 0.000 0.892 129 L HN 0.824 nan 8.230 nan 0.000 0.436 130 D N -1.232 119.136 120.400 -0.054 0.000 2.092 130 D HA -0.237 4.430 4.640 0.046 0.000 0.193 130 D C 2.159 178.431 176.300 -0.048 0.000 0.994 130 D CA 1.252 55.224 54.000 -0.047 0.000 0.828 130 D CB -0.272 40.511 40.800 -0.029 0.000 0.963 130 D HN 0.395 nan 8.370 nan 0.000 0.450 131 Q N 0.202 119.976 119.800 -0.043 0.000 2.112 131 Q HA -0.207 4.160 4.340 0.046 0.000 0.206 131 Q C 2.279 178.249 176.000 -0.050 0.000 0.987 131 Q CA 1.709 57.488 55.803 -0.041 0.000 0.858 131 Q CB -0.273 28.442 28.738 -0.038 0.000 0.905 131 Q HN 0.373 nan 8.270 nan 0.000 0.420 132 A N 0.163 122.946 122.820 -0.063 0.000 1.902 132 A HA -0.173 4.175 4.320 0.046 0.000 0.217 132 A C 1.947 179.489 177.584 -0.070 0.000 1.181 132 A CA 1.101 53.096 52.037 -0.070 0.000 0.623 132 A CB -0.476 18.476 19.000 -0.080 0.000 0.818 132 A HN 0.280 nan 8.150 nan 0.000 0.443 133 L N -0.420 120.755 121.223 -0.080 0.000 2.027 133 L HA -0.036 4.331 4.340 0.046 0.000 0.206 133 L C 2.934 179.768 176.870 -0.061 0.000 1.074 133 L CA 1.850 56.635 54.840 -0.091 0.000 0.745 133 L CB -1.198 40.787 42.059 -0.123 0.000 0.898 133 L HN 0.393 nan 8.230 nan 0.000 0.433 134 A N -0.740 122.050 122.820 -0.050 0.000 1.892 134 A HA -0.204 4.144 4.320 0.046 0.000 0.218 134 A C 2.299 179.864 177.584 -0.030 0.000 1.188 134 A CA 2.103 54.118 52.037 -0.035 0.000 0.631 134 A CB -0.946 18.036 19.000 -0.029 0.000 0.822 134 A HN 0.441 nan 8.150 nan 0.000 0.447 135 A N -1.947 120.853 122.820 -0.034 0.000 2.169 135 A HA 0.279 4.626 4.320 0.046 0.000 0.212 135 A C 0.867 178.431 177.584 -0.033 0.000 1.153 135 A CA 1.270 53.289 52.037 -0.030 0.000 0.756 135 A CB -0.347 18.634 19.000 -0.031 0.000 0.813 135 A HN 0.685 nan 8.150 nan 0.000 0.471 136 D N -1.198 119.179 120.400 -0.038 0.000 2.800 136 D HA -0.151 4.517 4.640 0.046 0.000 0.232 136 D C -0.050 176.216 176.300 -0.057 0.000 1.137 136 D CA 0.970 54.950 54.000 -0.034 0.000 0.718 136 D CB -1.571 39.217 40.800 -0.019 0.000 1.084 136 D HN 0.264 nan 8.370 nan 0.000 0.432 137 S N 0.351 116.005 115.700 -0.077 0.000 2.405 137 S HA 0.478 4.976 4.470 0.046 0.000 0.291 137 S C 0.057 174.547 174.600 -0.184 0.000 1.137 137 S CA -0.223 57.903 58.200 -0.124 0.000 1.061 137 S CB 0.159 63.296 63.200 -0.106 0.000 1.001 137 S HN 0.452 nan 8.310 nan 0.000 0.507 138 R N 2.932 123.280 120.500 -0.253 0.000 2.747 138 R HA 0.487 4.854 4.340 0.046 0.000 0.272 138 R C -1.661 174.385 176.300 -0.423 0.000 1.032 138 R CA -0.851 55.082 56.100 -0.277 0.000 0.896 138 R CB 0.509 30.764 30.300 -0.075 0.000 1.253 138 R HN 0.415 nan 8.270 nan 0.000 0.461 139 F N 0.648 120.595 119.950 -0.005 0.000 2.483 139 F HA 0.342 4.897 4.527 0.047 0.000 0.329 139 F C 0.412 176.205 175.800 -0.013 0.000 1.064 139 F CA -0.324 57.668 58.000 -0.014 0.000 0.986 139 F CB 1.530 40.514 39.000 -0.026 0.000 1.218 139 F HN 0.788 nan 8.300 nan 0.000 0.484 140 E N 0.031 120.346 120.200 0.192 0.000 2.868 140 E HA -0.192 4.186 4.350 0.046 0.000 0.278 140 E C 0.715 177.347 176.600 0.053 0.000 1.009 140 E CA 0.296 56.753 56.400 0.096 0.000 0.856 140 E CB -1.890 27.855 29.700 0.074 0.000 1.428 140 E HN 1.105 nan 8.360 nan 0.000 0.423 141 G N 0.056 108.882 108.800 0.043 0.000 2.293 141 G HA2 0.041 4.029 3.960 0.046 0.000 0.271 141 G HA3 0.041 4.029 3.960 0.046 0.000 0.271 141 G C 0.624 175.534 174.900 0.017 0.000 0.857 141 G CA 1.232 46.345 45.100 0.021 0.000 1.221 141 G HN 1.243 nan 8.290 nan 0.000 0.445 142 G N -0.037 108.772 108.800 0.016 0.000 2.428 142 G HA2 0.392 4.380 3.960 0.046 0.000 0.681 142 G HA3 0.392 4.380 3.960 0.046 0.000 0.681 142 G C -2.120 172.760 174.900 -0.033 0.000 1.340 142 G CA -0.251 44.854 45.100 0.008 0.000 0.915 142 G HN 0.700 nan 8.290 nan 0.000 0.645 143 P HA 0.503 nan 4.420 nan 0.000 0.273 143 P C -0.210 176.984 177.300 -0.177 0.000 1.250 143 P CA -0.287 62.642 63.100 -0.283 0.000 0.793 143 P CB 1.014 32.360 31.700 -0.590 0.000 1.011 144 V N 1.530 121.318 119.914 -0.209 0.000 2.513 144 V HA 0.447 4.595 4.120 0.046 0.000 0.299 144 V C 0.393 176.359 176.094 -0.213 0.000 1.035 144 V CA -0.495 61.709 62.300 -0.160 0.000 0.889 144 V CB 1.287 32.989 31.823 -0.201 0.000 0.988 144 V HN 0.356 nan 8.190 nan 0.000 0.440 145 I N 3.566 124.085 120.570 -0.085 0.000 2.569 145 I HA 0.505 4.702 4.170 0.046 0.000 0.290 145 I C -1.382 174.887 176.117 0.254 0.000 1.088 145 I CA -0.340 60.954 61.300 -0.011 0.000 1.047 145 I CB 2.309 40.331 38.000 0.036 0.000 1.237 145 I HN 0.487 nan 8.210 nan 0.000 0.421 146 W N 4.438 125.787 121.300 0.082 0.000 2.844 146 W HA 0.824 5.511 4.660 0.045 0.000 0.340 146 W C -0.477 176.119 176.519 0.128 0.000 1.093 146 W CA -1.489 55.932 57.345 0.125 0.000 1.212 146 W CB 1.976 31.557 29.460 0.202 0.000 1.422 146 W HN 0.457 nan 8.180 nan 0.000 0.515 147 A N 2.935 125.973 122.820 0.363 0.000 2.459 147 A HA 0.759 5.106 4.320 0.046 0.000 0.296 147 A C -1.293 176.404 177.584 0.188 0.000 1.039 147 A CA -0.910 51.267 52.037 0.233 0.000 0.698 147 A CB 2.009 21.103 19.000 0.157 0.000 1.261 147 A HN 0.588 nan 8.150 nan 0.000 0.405 148 R N 2.174 122.775 120.500 0.168 0.000 2.437 148 R HA 0.575 4.943 4.340 0.046 0.000 0.310 148 R C 0.643 176.991 176.300 0.081 0.000 0.955 148 R CA 0.753 56.930 56.100 0.129 0.000 0.851 148 R CB 1.229 31.622 30.300 0.155 0.000 1.161 148 R HN 2.342 nan 8.270 nan 0.000 0.446 149 G N 3.037 111.876 108.800 0.065 0.000 2.575 149 G HA2 -0.326 3.662 3.960 0.046 0.000 0.267 149 G HA3 -0.326 3.662 3.960 0.046 0.000 0.267 149 G C -0.867 174.057 174.900 0.039 0.000 1.264 149 G CA 0.399 45.526 45.100 0.045 0.000 0.935 149 G HN 0.677 nan 8.290 nan 0.000 0.568 150 D N -0.021 120.394 120.400 0.024 0.000 2.408 150 D HA 0.495 5.162 4.640 0.046 0.000 0.261 150 D C 1.702 178.005 176.300 0.005 0.000 1.190 150 D CA 0.272 54.284 54.000 0.019 0.000 0.910 150 D CB 0.792 41.602 40.800 0.017 0.000 1.097 150 D HN 0.721 nan 8.370 nan 0.000 0.522 151 V N 2.628 122.544 119.914 0.003 0.000 2.231 151 V HA -0.255 3.893 4.120 0.046 0.000 0.248 151 V C 2.061 178.142 176.094 -0.022 0.000 1.054 151 V CA 1.436 63.727 62.300 -0.016 0.000 1.015 151 V CB -0.800 31.011 31.823 -0.021 0.000 0.638 151 V HN 0.471 nan 8.190 nan 0.000 0.444 152 E N 0.786 120.978 120.200 -0.014 0.000 2.097 152 E HA -0.225 4.152 4.350 0.046 0.000 0.196 152 E C 2.303 178.893 176.600 -0.017 0.000 1.000 152 E CA 2.136 58.525 56.400 -0.017 0.000 0.804 152 E CB -0.808 28.887 29.700 -0.009 0.000 0.740 152 E HN 0.707 nan 8.360 nan 0.000 0.454 153 T N 1.524 116.071 114.554 -0.010 0.000 2.652 153 T HA -0.166 4.212 4.350 0.046 0.000 0.267 153 T C 2.103 176.792 174.700 -0.017 0.000 1.039 153 T CA 1.681 63.775 62.100 -0.011 0.000 1.153 153 T CB -0.325 68.541 68.868 -0.003 0.000 0.863 153 T HN 0.331 nan 8.240 nan 0.000 0.428 154 A N 1.016 123.824 122.820 -0.020 0.000 1.933 154 A HA 0.044 4.392 4.320 0.046 0.000 0.218 154 A C 2.265 179.827 177.584 -0.036 0.000 1.175 154 A CA 1.167 53.188 52.037 -0.026 0.000 0.628 154 A CB -0.772 18.210 19.000 -0.030 0.000 0.814 154 A HN 0.501 nan 8.150 nan 0.000 0.444 155 L N -1.076 120.122 121.223 -0.042 0.000 2.313 155 L HA -0.053 4.315 4.340 0.046 0.000 0.214 155 L C 2.902 179.743 176.870 -0.048 0.000 1.119 155 L CA 0.626 55.436 54.840 -0.051 0.000 0.809 155 L CB -0.390 41.634 42.059 -0.058 0.000 0.933 155 L HN 0.421 nan 8.230 nan 0.000 0.449 156 A N 0.266 123.063 122.820 -0.039 0.000 1.929 156 A HA -0.018 4.330 4.320 0.046 0.000 0.216 156 A C 1.971 179.531 177.584 -0.041 0.000 1.176 156 A CA 1.394 53.409 52.037 -0.037 0.000 0.628 156 A CB -0.724 18.259 19.000 -0.028 0.000 0.816 156 A HN 0.387 nan 8.150 nan 0.000 0.444 157 G N -0.599 108.179 108.800 -0.037 0.000 3.678 157 G HA2 0.482 4.469 3.960 0.046 0.000 0.287 157 G HA3 0.482 4.469 3.960 0.046 0.000 0.287 157 G C 0.131 175.003 174.900 -0.048 0.000 1.280 157 G CA 0.537 45.614 45.100 -0.039 0.000 1.118 157 G HN 0.692 nan 8.290 nan 0.000 0.563 158 A N 0.012 122.796 122.820 -0.059 0.000 2.288 158 A HA 0.746 5.093 4.320 0.046 0.000 0.320 158 A C 1.378 178.897 177.584 -0.109 0.000 1.217 158 A CA 0.191 52.189 52.037 -0.065 0.000 0.840 158 A CB 1.215 20.183 19.000 -0.054 0.000 1.179 158 A HN 0.653 nan 8.150 nan 0.000 0.504 159 A N 2.209 124.951 122.820 -0.130 0.000 1.917 159 A HA -0.029 4.319 4.320 0.046 0.000 0.219 159 A C 0.837 178.076 177.584 -0.575 0.000 1.182 159 A CA 1.868 53.719 52.037 -0.311 0.000 0.633 159 A CB -0.566 18.282 19.000 -0.253 0.000 0.819 159 A HN 0.913 nan 8.150 nan 0.000 0.448 160 H N -3.350 115.681 119.070 -0.064 0.000 2.821 160 H HA 0.763 5.346 4.556 0.046 0.000 0.373 160 H C -1.015 174.254 175.328 -0.098 0.000 1.165 160 H CA -0.554 55.446 56.048 -0.080 0.000 1.154 160 H CB 1.834 31.547 29.762 -0.081 0.000 1.765 160 H HN 0.294 nan 8.280 nan 0.000 0.549 161 L N 1.137 122.364 121.223 0.007 0.000 2.506 161 L HA 0.827 5.195 4.340 0.046 0.000 0.257 161 L C -1.558 175.214 176.870 -0.164 0.000 0.964 161 L CA -0.481 54.312 54.840 -0.078 0.000 0.836 161 L CB 1.825 43.832 42.059 -0.086 0.000 1.384 161 L HN 0.837 nan 8.230 nan 0.000 0.410 162 A N 3.370 126.063 122.820 -0.212 0.000 2.427 162 A HA 0.780 5.128 4.320 0.046 0.000 0.298 162 A C -1.502 175.909 177.584 -0.288 0.000 1.036 162 A CA -0.539 51.253 52.037 -0.408 0.000 0.701 162 A CB 1.434 20.077 19.000 -0.596 0.000 1.250 162 A HN 0.654 nan 8.150 nan 0.000 0.412 163 E N 1.007 120.990 120.200 -0.362 0.000 2.212 163 E HA 0.709 5.086 4.350 0.046 0.000 0.268 163 E C -0.093 176.263 176.600 -0.405 0.000 0.902 163 E CA -0.934 55.266 56.400 -0.333 0.000 0.779 163 E CB 2.574 32.145 29.700 -0.214 0.000 1.172 163 E HN 0.982 nan 8.360 nan 0.000 0.409 164 G N 0.128 108.416 108.800 -0.853 0.000 2.523 164 G HA2 0.450 4.437 3.960 0.046 0.000 0.291 164 G HA3 0.450 4.437 3.960 0.046 0.000 0.291 164 G C -1.797 172.775 174.900 -0.545 0.000 1.450 164 G CA -0.499 44.270 45.100 -0.551 0.000 0.790 164 G HN 0.599 nan 8.290 nan 0.000 0.496 165 C N 0.649 120.004 119.300 0.092 0.000 2.608 165 C HA 0.946 5.433 4.460 0.046 0.000 0.325 165 C C -1.337 173.971 174.990 0.529 0.000 1.147 165 C CA -1.074 58.112 59.018 0.279 0.000 1.359 165 C CB -0.196 27.637 27.740 0.155 0.000 1.912 165 C HN 1.339 nan 8.230 nan 0.000 0.466 166 F N 3.872 123.986 119.950 0.273 0.000 2.665 166 F HA 0.691 5.246 4.527 0.046 0.000 0.308 166 F C -0.748 175.152 175.800 0.167 0.000 1.112 166 F CA -0.644 57.488 58.000 0.221 0.000 0.972 166 F CB 1.053 40.211 39.000 0.263 0.000 1.295 166 F HN 0.444 nan 8.300 nan 0.000 0.440 167 E N 3.772 123.935 120.200 -0.060 0.000 2.313 167 E HA 0.507 4.884 4.350 0.046 0.000 0.272 167 E C -0.700 175.719 176.600 -0.302 0.000 1.038 167 E CA -0.525 55.779 56.400 -0.161 0.000 0.863 167 E CB 2.561 32.255 29.700 -0.011 0.000 1.060 167 E HN 0.655 nan 8.360 nan 0.000 0.402 168 I N 1.342 121.766 120.570 -0.243 0.000 2.468 168 I HA 0.256 4.453 4.170 0.046 0.000 0.284 168 I C 0.557 176.662 176.117 -0.021 0.000 1.038 168 I CA -0.767 60.391 61.300 -0.236 0.000 1.083 168 I CB 1.888 39.737 38.000 -0.251 0.000 1.223 168 I HN 0.431 nan 8.210 nan 0.000 0.443 169 G N 3.671 112.454 108.800 -0.029 0.000 2.599 169 G HA2 0.518 4.505 3.960 0.046 0.000 0.264 169 G HA3 0.518 4.505 3.960 0.046 0.000 0.264 169 G C 0.426 175.510 174.900 0.306 0.000 1.200 169 G CA -0.108 45.066 45.100 0.122 0.000 0.896 169 G HN 0.682 nan 8.290 nan 0.000 0.536 170 G N -1.630 107.351 108.800 0.300 0.000 2.485 170 G HA2 0.502 4.489 3.960 0.046 0.000 0.260 170 G HA3 0.502 4.489 3.960 0.046 0.000 0.260 170 G C -0.270 174.801 174.900 0.285 0.000 1.459 170 G CA -0.172 45.103 45.100 0.293 0.000 1.060 170 G HN 0.751 nan 8.290 nan 0.000 0.546 171 Q N -1.619 118.240 119.800 0.099 0.000 2.468 171 Q HA 0.341 4.709 4.340 0.046 0.000 0.263 171 Q C -1.892 174.136 176.000 0.046 0.000 0.979 171 Q CA -0.682 55.158 55.803 0.061 0.000 0.932 171 Q CB 2.090 30.565 28.738 -0.437 0.000 1.462 171 Q HN 0.496 nan 8.270 nan 0.000 0.403 172 E N 1.090 121.319 120.200 0.049 0.000 2.231 172 E HA 0.236 4.614 4.350 0.046 0.000 0.277 172 E C -0.274 176.413 176.600 0.145 0.000 0.999 172 E CA 0.215 56.543 56.400 -0.121 0.000 0.827 172 E CB 0.800 30.093 29.700 -0.679 0.000 1.101 172 E HN 0.713 nan 8.360 nan 0.000 0.393 173 H N 3.629 122.730 119.070 0.052 0.000 2.319 173 H HA -0.017 4.568 4.556 0.047 0.000 0.299 173 H C 0.080 175.322 175.328 -0.144 0.000 1.092 173 H CA 1.643 57.517 56.048 -0.290 0.000 1.302 173 H CB -0.262 29.188 29.762 -0.521 0.000 1.373 173 H HN 0.616 nan 8.280 nan 0.000 0.497 174 F N 0.352 120.090 119.950 -0.353 0.000 2.983 174 F HA -0.247 4.309 4.527 0.048 0.000 0.288 174 F C -0.915 174.823 175.800 -0.104 0.000 0.980 174 F CA -0.499 57.357 58.000 -0.239 0.000 0.965 174 F CB -1.854 37.133 39.000 -0.021 0.000 0.967 174 F HN 0.143 nan 8.300 nan 0.000 0.800 175 Y N 0.165 120.495 120.300 0.050 0.000 2.465 175 Y HA 0.287 4.867 4.550 0.050 0.000 0.331 175 Y C 1.051 176.881 175.900 -0.117 0.000 1.102 175 Y CA -1.448 56.732 58.100 0.133 0.000 1.358 175 Y CB 0.093 38.613 38.460 0.100 0.000 1.213 175 Y HN 0.125 nan 8.280 nan 0.000 0.525 176 L N 1.452 122.746 121.223 0.119 0.000 2.127 176 L HA -0.124 4.243 4.340 0.046 0.000 0.211 176 L C 1.158 177.998 176.870 -0.050 0.000 1.089 176 L CA 1.499 56.328 54.840 -0.018 0.000 0.757 176 L CB -0.664 41.408 42.059 0.023 0.000 0.899 176 L HN 0.880 nan 8.230 nan 0.000 0.434 177 E N 0.054 120.233 120.200 -0.035 0.000 2.227 177 E HA 0.343 4.721 4.350 0.046 0.000 0.282 177 E C 0.010 176.593 176.600 -0.028 0.000 1.015 177 E CA -0.279 56.062 56.400 -0.098 0.000 0.823 177 E CB 1.321 30.908 29.700 -0.188 0.000 1.081 177 E HN 0.180 nan 8.360 nan 0.000 0.396 178 G N 3.263 112.054 108.800 -0.015 0.000 2.537 178 G HA2 0.064 4.051 3.960 0.046 0.000 0.273 178 G HA3 0.064 4.051 3.960 0.046 0.000 0.273 178 G C -0.105 174.732 174.900 -0.106 0.000 1.189 178 G CA -0.552 44.581 45.100 0.055 0.000 0.881 178 G HN 0.572 nan 8.290 nan 0.000 0.535 179 Q N -0.823 118.911 119.800 -0.110 0.000 2.369 179 Q HA 0.375 4.743 4.340 0.046 0.000 0.295 179 Q C 0.137 175.972 176.000 -0.275 0.000 1.075 179 Q CA 0.884 56.535 55.803 -0.254 0.000 0.941 179 Q CB 1.028 29.621 28.738 -0.241 0.000 1.260 179 Q HN 0.825 nan 8.270 nan 0.000 0.417 180 A N 0.118 122.788 122.820 -0.251 0.000 2.590 180 A HA 0.763 5.110 4.320 0.046 0.000 0.296 180 A C -1.696 175.799 177.584 -0.149 0.000 1.050 180 A CA 0.073 51.989 52.037 -0.201 0.000 0.697 180 A CB 1.379 20.300 19.000 -0.131 0.000 1.277 180 A HN 0.806 nan 8.150 nan 0.000 0.411 181 A N 0.050 122.793 122.820 -0.128 0.000 2.602 181 A HA 0.944 5.292 4.320 0.046 0.000 0.290 181 A C -1.974 175.572 177.584 -0.064 0.000 1.114 181 A CA -0.280 51.709 52.037 -0.081 0.000 0.683 181 A CB 1.451 20.400 19.000 -0.085 0.000 1.281 181 A HN 2.400 nan 8.150 nan 0.000 0.416 182 L N -0.173 121.036 121.223 -0.025 0.000 2.493 182 L HA 0.870 5.238 4.340 0.046 0.000 0.265 182 L C -0.660 176.215 176.870 0.009 0.000 0.954 182 L CA 0.037 54.865 54.840 -0.020 0.000 0.844 182 L CB 1.679 43.736 42.059 -0.005 0.000 1.302 182 L HN 1.673 nan 8.230 nan 0.000 0.405 183 A N 5.585 128.395 122.820 -0.017 0.000 2.356 183 A HA 0.858 5.205 4.320 0.046 0.000 0.310 183 A C -1.584 175.997 177.584 -0.005 0.000 1.075 183 A CA -0.467 51.562 52.037 -0.014 0.000 0.746 183 A CB 1.138 20.116 19.000 -0.037 0.000 1.221 183 A HN 0.705 nan 8.150 nan 0.000 0.443 184 L N 3.568 124.797 121.223 0.010 0.000 2.343 184 L HA 0.409 4.776 4.340 0.046 0.000 0.278 184 L C -2.392 174.478 176.870 0.001 0.000 0.996 184 L CA -2.151 52.696 54.840 0.011 0.000 0.831 184 L CB 1.926 44.007 42.059 0.037 0.000 1.232 184 L HN 0.420 nan 8.230 nan 0.000 0.413 185 P HA 0.003 nan 4.420 nan 0.000 0.263 185 P C -0.561 176.740 177.300 0.000 0.000 1.175 185 P CA 0.116 63.216 63.100 0.001 0.000 0.761 185 P CB 0.775 32.478 31.700 0.006 0.000 0.794 186 A N 3.289 126.107 122.820 -0.003 0.000 2.984 186 A HA 0.308 4.655 4.320 0.046 0.000 0.320 186 A C 0.054 177.633 177.584 -0.008 0.000 1.142 186 A CA -0.609 51.425 52.037 -0.006 0.000 0.772 186 A CB -0.266 18.727 19.000 -0.012 0.000 1.195 186 A HN 0.673 nan 8.150 nan 0.000 0.459 187 E N 0.674 120.872 120.200 -0.004 0.000 1.839 187 E HA -0.162 4.215 4.350 0.046 0.000 0.229 187 E C 0.921 177.517 176.600 -0.007 0.000 1.512 187 E CA 0.937 57.334 56.400 -0.004 0.000 0.767 187 E CB -1.599 28.096 29.700 -0.007 0.000 0.942 187 E HN 2.210 nan 8.360 nan 0.000 0.301 188 G N 1.484 110.284 108.800 0.000 0.000 2.490 188 G HA2 -0.229 3.758 3.960 0.046 0.000 0.214 188 G HA3 -0.229 3.758 3.960 0.046 0.000 0.214 188 G C 0.541 175.444 174.900 0.005 0.000 1.151 188 G CA 0.073 45.174 45.100 0.002 0.000 0.684 188 G HN 1.321 nan 8.290 nan 0.000 0.518 189 G N -1.122 107.677 108.800 -0.002 0.000 3.209 189 G HA2 0.880 4.868 3.960 0.046 0.000 0.236 189 G HA3 0.880 4.868 3.960 0.046 0.000 0.236 189 G C -0.667 174.227 174.900 -0.009 0.000 1.329 189 G CA 0.481 45.581 45.100 -0.002 0.000 1.015 189 G HN 1.467 nan 8.290 nan 0.000 0.571 190 V N -2.190 117.713 119.914 -0.018 0.000 3.159 190 V HA 0.780 4.927 4.120 0.046 0.000 0.308 190 V C -0.846 175.221 176.094 -0.046 0.000 1.190 190 V CA -0.970 61.313 62.300 -0.027 0.000 1.037 190 V CB 1.514 33.316 31.823 -0.035 0.000 1.060 190 V HN 0.565 nan 8.190 nan 0.000 0.437 191 V N 3.227 123.110 119.914 -0.051 0.000 2.487 191 V HA 0.557 4.705 4.120 0.046 0.000 0.298 191 V C -0.700 175.330 176.094 -0.107 0.000 1.028 191 V CA -0.377 61.865 62.300 -0.096 0.000 0.860 191 V CB 1.681 33.456 31.823 -0.081 0.000 0.991 191 V HN 0.666 nan 8.190 nan 0.000 0.427 192 I N 4.124 124.597 120.570 -0.163 0.000 2.441 192 I HA 0.497 4.695 4.170 0.046 0.000 0.295 192 I C -0.147 175.831 176.117 -0.232 0.000 0.994 192 I CA -0.470 60.752 61.300 -0.130 0.000 1.144 192 I CB 1.624 39.559 38.000 -0.109 0.000 1.314 192 I HN 0.566 nan 8.210 nan 0.000 0.445 193 H N 4.743 123.779 119.070 -0.057 0.000 2.466 193 H HA 0.568 5.109 4.556 -0.024 0.000 0.338 193 H C -0.334 174.956 175.328 -0.063 0.000 1.091 193 H CA -0.270 55.745 56.048 -0.054 0.000 1.207 193 H CB 2.468 32.201 29.762 -0.049 0.000 1.466 193 H HN 0.851 nan 8.280 nan 0.000 0.493 194 C N 0.885 120.205 119.300 0.033 0.000 3.336 194 C HA 0.605 5.093 4.460 0.046 0.000 0.339 194 C C 0.128 175.103 174.990 -0.025 0.000 1.468 194 C CA -1.062 57.946 59.018 -0.016 0.000 1.287 194 C CB 1.428 29.136 27.740 -0.052 0.000 1.682 194 C HN 0.685 nan 8.230 nan 0.000 0.451 195 S N 1.243 116.905 115.700 -0.063 0.000 2.426 195 S HA 0.690 5.187 4.470 0.046 0.000 0.236 195 S C -0.587 173.945 174.600 -0.113 0.000 1.368 195 S CA 0.213 58.367 58.200 -0.076 0.000 1.154 195 S CB -0.345 62.797 63.200 -0.098 0.000 1.037 195 S HN 1.659 nan 8.310 nan 0.000 0.481 196 S N 3.281 118.932 115.700 -0.083 0.000 2.556 196 S HA 0.394 4.892 4.470 0.046 0.000 0.271 196 S C 0.166 174.738 174.600 -0.048 0.000 1.135 196 S CA -0.583 57.571 58.200 -0.078 0.000 0.858 196 S CB 1.614 64.781 63.200 -0.054 0.000 1.114 196 S HN 0.668 nan 8.310 nan 0.000 0.468 197 Q N 1.381 121.159 119.800 -0.037 0.000 2.444 197 Q HA 0.139 4.507 4.340 0.046 0.000 0.206 197 Q C 0.040 176.081 176.000 0.068 0.000 0.948 197 Q CA 0.455 56.247 55.803 -0.019 0.000 0.946 197 Q CB 0.019 28.727 28.738 -0.050 0.000 1.027 197 Q HN 0.745 nan 8.270 nan 0.000 0.513 198 H N -0.477 118.561 119.070 -0.053 0.000 2.695 198 H HA 0.134 4.718 4.556 0.045 0.000 0.222 198 H C -2.130 173.163 175.328 -0.057 0.000 1.412 198 H CA -2.078 53.942 56.048 -0.046 0.000 1.347 198 H CB 1.040 30.777 29.762 -0.041 0.000 1.858 198 H HN -0.012 nan 8.280 nan 0.000 0.519 199 P HA -0.174 nan 4.420 nan 0.000 0.217 199 P C 1.525 178.759 177.300 -0.111 0.000 1.151 199 P CA 1.221 64.293 63.100 -0.046 0.000 0.849 199 P CB 0.347 32.030 31.700 -0.028 0.000 0.787 200 S N -0.511 115.147 115.700 -0.069 0.000 2.399 200 S HA -0.192 4.305 4.470 0.046 0.000 0.231 200 S C 1.967 176.381 174.600 -0.309 0.000 1.022 200 S CA 1.293 59.415 58.200 -0.130 0.000 0.983 200 S CB -0.679 62.525 63.200 0.007 0.000 0.803 200 S HN 0.370 nan 8.310 nan 0.000 0.480 201 E N 0.614 120.421 120.200 -0.654 0.000 2.152 201 E HA -0.076 4.302 4.350 0.046 0.000 0.192 201 E C 1.757 178.134 176.600 -0.372 0.000 0.983 201 E CA 0.691 56.717 56.400 -0.623 0.000 0.818 201 E CB 0.017 29.146 29.700 -0.952 0.000 0.758 201 E HN 0.298 nan 8.360 nan 0.000 0.467 202 I N 1.362 121.752 120.570 -0.301 0.000 2.252 202 I HA -0.258 3.940 4.170 0.046 0.000 0.245 202 I C 2.555 178.540 176.117 -0.220 0.000 1.102 202 I CA 1.367 62.545 61.300 -0.203 0.000 1.385 202 I CB -1.286 36.625 38.000 -0.148 0.000 1.064 202 I HN 0.367 nan 8.210 nan 0.000 0.414 203 Q N 0.301 119.950 119.800 -0.252 0.000 2.077 203 Q HA -0.298 4.069 4.340 0.046 0.000 0.206 203 Q C 2.364 178.067 176.000 -0.495 0.000 0.989 203 Q CA 2.270 57.885 55.803 -0.313 0.000 0.853 203 Q CB -0.278 28.282 28.738 -0.298 0.000 0.907 203 Q HN 0.646 nan 8.270 nan 0.000 0.418 204 H N -0.325 118.309 119.070 -0.727 0.000 2.293 204 H HA -0.081 4.502 4.556 0.044 0.000 0.300 204 H C 1.891 176.864 175.328 -0.591 0.000 1.082 204 H CA 1.442 56.895 56.048 -0.991 0.000 1.308 204 H CB 0.278 29.664 29.762 -0.628 0.000 1.375 204 H HN 0.051 nan 8.280 nan 0.000 0.495 205 K N 0.349 120.679 120.400 -0.117 0.000 2.097 205 K HA -0.079 4.268 4.320 0.046 0.000 0.206 205 K C 2.293 178.866 176.600 -0.044 0.000 1.049 205 K CA 0.934 57.201 56.287 -0.034 0.000 0.933 205 K CB -0.293 32.153 32.500 -0.089 0.000 0.717 205 K HN 0.250 nan 8.250 nan 0.000 0.442 206 V N 1.588 121.435 119.914 -0.112 0.000 2.307 206 V HA -0.202 3.945 4.120 0.046 0.000 0.245 206 V C 2.496 178.550 176.094 -0.067 0.000 1.045 206 V CA 1.806 64.060 62.300 -0.078 0.000 1.024 206 V CB -0.743 31.022 31.823 -0.096 0.000 0.651 206 V HN 0.272 nan 8.190 nan 0.000 0.449 207 A N -0.798 121.930 122.820 -0.152 0.000 1.917 207 A HA -0.312 4.035 4.320 0.046 0.000 0.219 207 A C 1.998 179.586 177.584 0.007 0.000 1.182 207 A CA 2.405 54.381 52.037 -0.101 0.000 0.633 207 A CB -0.913 17.986 19.000 -0.167 0.000 0.819 207 A HN 0.746 nan 8.150 nan 0.000 0.448 208 H N -1.234 117.860 119.070 0.041 0.000 2.395 208 H HA 0.121 4.705 4.556 0.048 0.000 0.299 208 H C 2.416 177.772 175.328 0.047 0.000 1.070 208 H CA 0.595 56.682 56.048 0.065 0.000 1.356 208 H CB 0.039 29.873 29.762 0.121 0.000 1.401 208 H HN 0.565 nan 8.280 nan 0.000 0.524 209 A N 0.494 123.409 122.820 0.158 0.000 2.067 209 A HA -0.075 4.273 4.320 0.046 0.000 0.219 209 A C 1.952 179.617 177.584 0.135 0.000 1.158 209 A CA 1.044 53.160 52.037 0.132 0.000 0.661 209 A CB -0.216 18.830 19.000 0.076 0.000 0.801 209 A HN 0.350 nan 8.150 nan 0.000 0.452 210 L N -1.821 119.437 121.223 0.059 0.000 2.693 210 L HA 0.258 4.626 4.340 0.046 0.000 0.235 210 L C 1.415 178.175 176.870 -0.184 0.000 1.127 210 L CA 0.438 55.297 54.840 0.031 0.000 0.914 210 L CB 0.208 42.274 42.059 0.011 0.000 1.193 210 L HN 0.528 nan 8.230 nan 0.000 0.502 211 G N 1.388 109.968 108.800 -0.366 0.000 2.198 211 G HA2 -0.267 3.720 3.960 0.046 0.000 0.257 211 G HA3 -0.267 3.720 3.960 0.046 0.000 0.257 211 G C -0.177 174.594 174.900 -0.215 0.000 1.042 211 G CA 0.058 44.803 45.100 -0.593 0.000 0.791 211 G HN 0.228 nan 8.290 nan 0.000 0.502 212 L N -0.167 121.013 121.223 -0.072 0.000 2.342 212 L HA 0.810 5.178 4.340 0.046 0.000 0.271 212 L C 0.966 177.859 176.870 0.037 0.000 1.008 212 L CA -0.768 54.070 54.840 -0.004 0.000 0.818 212 L CB 1.862 43.932 42.059 0.019 0.000 1.296 212 L HN 0.313 nan 8.230 nan 0.000 0.427 213 A N 1.272 124.098 122.820 0.009 0.000 2.425 213 A HA 0.214 4.561 4.320 0.046 0.000 0.242 213 A C 0.801 178.450 177.584 0.109 0.000 1.077 213 A CA -0.099 51.886 52.037 -0.086 0.000 0.781 213 A CB 0.001 18.797 19.000 -0.339 0.000 1.020 213 A HN 0.628 nan 8.150 nan 0.000 0.494 214 F N 0.907 120.726 119.950 -0.219 0.000 2.192 214 F HA -0.224 4.331 4.527 0.047 0.000 0.301 214 F C 2.262 178.047 175.800 -0.024 0.000 1.079 214 F CA 2.114 60.023 58.000 -0.152 0.000 1.303 214 F CB -1.388 37.506 39.000 -0.178 0.000 1.024 214 F HN 0.900 nan 8.300 nan 0.000 0.494 215 H N -2.345 116.791 119.070 0.110 0.000 2.563 215 H HA 0.031 4.615 4.556 0.046 0.000 0.272 215 H C 0.306 175.644 175.328 0.018 0.000 1.005 215 H CA 0.615 56.689 56.048 0.044 0.000 1.171 215 H CB -0.254 29.515 29.762 0.011 0.000 1.351 215 H HN 0.110 nan 8.280 nan 0.000 0.602 216 D N 1.546 122.128 120.400 0.303 0.000 2.388 216 D HA 0.178 4.845 4.640 0.046 0.000 0.221 216 D C -0.531 175.795 176.300 0.044 0.000 1.133 216 D CA 0.081 54.154 54.000 0.122 0.000 0.831 216 D CB 1.177 42.050 40.800 0.122 0.000 0.962 216 D HN 0.167 nan 8.370 nan 0.000 0.502 217 V N 0.876 120.806 119.914 0.026 0.000 2.668 217 V HA 0.355 4.503 4.120 0.046 0.000 0.304 217 V C -0.237 175.825 176.094 -0.054 0.000 1.071 217 V CA -0.967 61.313 62.300 -0.034 0.000 0.894 217 V CB 3.116 34.894 31.823 -0.075 0.000 1.008 217 V HN -0.074 nan 8.190 nan 0.000 0.425 218 R N 3.411 123.865 120.500 -0.076 0.000 2.599 218 R HA 0.863 5.230 4.340 0.046 0.000 0.295 218 R C -2.100 174.120 176.300 -0.133 0.000 0.963 218 R CA -0.435 55.612 56.100 -0.088 0.000 0.883 218 R CB 2.274 32.526 30.300 -0.080 0.000 1.171 218 R HN 0.494 nan 8.270 nan 0.000 0.450 219 V N 3.939 123.772 119.914 -0.135 0.000 2.487 219 V HA 0.379 4.526 4.120 0.046 0.000 0.298 219 V C -0.581 175.414 176.094 -0.165 0.000 1.028 219 V CA -0.656 61.547 62.300 -0.162 0.000 0.860 219 V CB 1.757 33.501 31.823 -0.131 0.000 0.991 219 V HN 0.829 nan 8.190 nan 0.000 0.427 220 E N 4.520 124.577 120.200 -0.238 0.000 2.227 220 E HA 0.764 5.142 4.350 0.046 0.000 0.268 220 E C -0.908 175.643 176.600 -0.082 0.000 0.907 220 E CA -0.968 55.331 56.400 -0.169 0.000 0.786 220 E CB 2.725 32.278 29.700 -0.245 0.000 1.191 220 E HN 0.623 nan 8.360 nan 0.000 0.411 221 M N 1.636 121.223 119.600 -0.021 0.000 2.234 221 M HA 0.333 4.840 4.480 0.046 0.000 0.267 221 M C -0.730 175.587 176.300 0.029 0.000 1.022 221 M CA -0.396 54.913 55.300 0.014 0.000 0.993 221 M CB 1.828 34.422 32.600 -0.010 0.000 1.836 221 M HN 0.343 nan 8.290 nan 0.000 0.479 222 R N 3.075 123.597 120.500 0.038 0.000 2.206 222 R HA 0.495 4.862 4.340 0.046 0.000 0.198 222 R C -0.426 175.910 176.300 0.060 0.000 0.986 222 R CA 1.356 57.479 56.100 0.037 0.000 1.029 222 R CB 0.590 30.892 30.300 0.002 0.000 0.966 222 R HN 0.811 nan 8.270 nan 0.000 0.487 223 R N -1.211 119.306 120.500 0.028 0.000 2.739 223 R HA 0.325 4.692 4.340 0.046 0.000 0.266 223 R C -1.562 174.781 176.300 0.071 0.000 1.044 223 R CA -0.763 55.364 56.100 0.045 0.000 0.885 223 R CB 0.627 30.936 30.300 0.016 0.000 1.260 223 R HN 0.000 nan 8.270 nan 0.000 0.477 224 M N 1.062 120.715 119.600 0.088 0.000 2.528 224 M HA 0.421 4.929 4.480 0.046 0.000 0.321 224 M C 0.530 176.930 176.300 0.166 0.000 1.153 224 M CA -0.716 54.636 55.300 0.087 0.000 0.951 224 M CB 2.451 35.021 32.600 -0.049 0.000 1.705 224 M HN 0.938 nan 8.290 nan 0.000 0.451 225 G N 1.587 110.465 108.800 0.131 0.000 3.316 225 G HA2 0.500 4.487 3.960 0.046 0.000 0.255 225 G HA3 0.500 4.487 3.960 0.046 0.000 0.255 225 G C 0.233 175.123 174.900 -0.018 0.000 0.880 225 G CA 0.200 45.290 45.100 -0.015 0.000 1.956 225 G HN 1.067 nan 8.290 nan 0.000 0.634 226 G N -1.303 107.461 108.800 -0.061 0.000 2.906 226 G HA2 0.398 4.386 3.960 0.046 0.000 0.686 226 G HA3 0.398 4.386 3.960 0.046 0.000 0.686 226 G C 0.415 175.171 174.900 -0.240 0.000 1.170 226 G CA -0.331 44.684 45.100 -0.141 0.000 0.775 226 G HN 1.139 nan 8.290 nan 0.000 0.630 227 G N -0.103 108.324 108.800 -0.621 0.000 2.604 227 G HA2 0.550 4.538 3.960 0.046 0.000 0.202 227 G HA3 0.550 4.538 3.960 0.046 0.000 0.202 227 G C 0.871 175.620 174.900 -0.251 0.000 1.212 227 G CA 0.854 45.736 45.100 -0.364 0.000 0.627 227 G HN 1.704 nan 8.290 nan 0.000 0.850 228 F N 0.961 120.883 119.950 -0.047 0.000 3.069 228 F HA -0.191 4.365 4.527 0.048 0.000 0.285 228 F C 1.956 177.660 175.800 -0.160 0.000 0.827 228 F CA 0.985 58.924 58.000 -0.102 0.000 1.108 228 F CB -1.493 37.408 39.000 -0.166 0.000 1.252 228 F HN 1.180 nan 8.300 nan 0.000 0.483 229 G N -1.095 107.670 108.800 -0.057 0.000 2.258 229 G HA2 -0.210 3.778 3.960 0.046 0.000 0.233 229 G HA3 -0.210 3.778 3.960 0.046 0.000 0.233 229 G C 1.132 175.942 174.900 -0.150 0.000 1.006 229 G CA 0.075 45.167 45.100 -0.012 0.000 0.620 229 G HN 1.249 nan 8.290 nan 0.000 0.511 230 G N 0.069 108.528 108.800 -0.568 0.000 2.708 230 G HA2 0.220 4.207 3.960 0.046 0.000 0.210 230 G HA3 0.220 4.207 3.960 0.046 0.000 0.210 230 G C 1.096 175.835 174.900 -0.268 0.000 1.141 230 G CA 1.369 45.972 45.100 -0.828 0.000 0.788 230 G HN 0.544 nan 8.290 nan 0.000 0.531 231 K N -0.410 119.865 120.400 -0.208 0.000 2.506 231 K HA 0.180 4.527 4.320 0.046 0.000 0.204 231 K C 1.277 177.838 176.600 -0.064 0.000 1.045 231 K CA -0.137 56.051 56.287 -0.164 0.000 1.074 231 K CB 0.770 33.120 32.500 -0.250 0.000 0.842 231 K HN 0.284 nan 8.250 nan 0.000 0.514 232 E N 1.025 121.214 120.200 -0.020 0.000 2.204 232 E HA -0.168 4.209 4.350 0.046 0.000 0.194 232 E C 1.450 178.115 176.600 0.109 0.000 0.989 232 E CA 1.730 58.165 56.400 0.057 0.000 0.824 232 E CB 0.335 30.084 29.700 0.081 0.000 0.756 232 E HN 0.246 nan 8.360 nan 0.000 0.477 233 S N -1.947 113.798 115.700 0.075 0.000 2.699 233 S HA 0.017 4.514 4.470 0.046 0.000 0.277 233 S C 1.314 175.976 174.600 0.102 0.000 1.062 233 S CA -0.551 57.700 58.200 0.084 0.000 1.116 233 S CB -0.113 63.146 63.200 0.097 0.000 0.977 233 S HN 0.077 nan 8.310 nan 0.000 0.498 234 Q N 1.757 121.622 119.800 0.108 0.000 2.561 234 Q HA 0.143 4.511 4.340 0.046 0.000 0.217 234 Q C 1.775 177.866 176.000 0.151 0.000 0.980 234 Q CA 1.136 57.041 55.803 0.170 0.000 0.927 234 Q CB -0.920 27.901 28.738 0.137 0.000 0.980 234 Q HN 0.743 nan 8.270 nan 0.000 0.525 235 G N 1.354 110.191 108.800 0.061 0.000 2.448 235 G HA2 -0.241 3.746 3.960 0.046 0.000 0.218 235 G HA3 -0.241 3.746 3.960 0.046 0.000 0.218 235 G C 1.250 176.190 174.900 0.067 0.000 1.135 235 G CA 0.399 45.509 45.100 0.017 0.000 0.784 235 G HN 0.461 nan 8.290 nan 0.000 0.543 236 N N 0.276 119.030 118.700 0.091 0.000 2.060 236 N HA -0.217 4.551 4.740 0.046 0.000 0.195 236 N C 1.877 177.434 175.510 0.077 0.000 1.028 236 N CA 1.505 54.578 53.050 0.039 0.000 0.861 236 N CB -0.301 38.167 38.487 -0.031 0.000 1.029 236 N HN 0.406 nan 8.380 nan 0.000 0.428 237 H N 0.531 119.676 119.070 0.125 0.000 2.290 237 H HA -0.057 4.525 4.556 0.045 0.000 0.298 237 H C 2.070 177.533 175.328 0.225 0.000 1.087 237 H CA 1.051 57.238 56.048 0.233 0.000 1.291 237 H CB -0.503 29.480 29.762 0.368 0.000 1.369 237 H HN 0.104 nan 8.280 nan 0.000 0.492 238 L N 0.238 121.613 121.223 0.254 0.000 2.046 238 L HA -0.150 4.217 4.340 0.046 0.000 0.208 238 L C 2.670 179.539 176.870 -0.002 0.000 1.077 238 L CA 1.672 56.532 54.840 0.034 0.000 0.747 238 L CB -0.848 41.110 42.059 -0.169 0.000 0.896 238 L HN 0.342 nan 8.230 nan 0.000 0.432 239 A N -0.309 122.510 122.820 -0.001 0.000 1.873 239 A HA -0.142 4.205 4.320 0.046 0.000 0.215 239 A C 2.343 179.914 177.584 -0.023 0.000 1.186 239 A CA 1.587 53.604 52.037 -0.034 0.000 0.616 239 A CB -0.782 18.189 19.000 -0.050 0.000 0.823 239 A HN 0.324 nan 8.150 nan 0.000 0.442 240 I N -0.116 120.457 120.570 0.005 0.000 2.194 240 I HA -0.337 3.861 4.170 0.046 0.000 0.246 240 I C 2.946 179.065 176.117 0.003 0.000 1.093 240 I CA 1.265 62.569 61.300 0.006 0.000 1.355 240 I CB -0.190 37.820 38.000 0.017 0.000 1.046 240 I HN 0.370 nan 8.210 nan 0.000 0.413 241 A N -0.514 122.329 122.820 0.038 0.000 1.898 241 A HA -0.229 4.118 4.320 0.046 0.000 0.216 241 A C 2.431 179.954 177.584 -0.102 0.000 1.181 241 A CA 1.804 53.831 52.037 -0.016 0.000 0.620 241 A CB -1.258 17.737 19.000 -0.008 0.000 0.819 241 A HN 0.551 nan 8.150 nan 0.000 0.442 242 C N -0.979 118.269 119.300 -0.087 0.000 2.432 242 C HA 0.032 4.520 4.460 0.046 0.000 0.277 242 C C 3.330 178.270 174.990 -0.083 0.000 1.249 242 C CA 0.815 59.778 59.018 -0.093 0.000 1.725 242 C CB -1.370 26.322 27.740 -0.081 0.000 2.028 242 C HN 0.702 nan 8.230 nan 0.000 0.477 243 A N 0.051 122.831 122.820 -0.066 0.000 1.883 243 A HA -0.122 4.225 4.320 0.046 0.000 0.217 243 A C 2.321 179.865 177.584 -0.066 0.000 1.186 243 A CA 2.218 54.222 52.037 -0.054 0.000 0.624 243 A CB -0.818 18.157 19.000 -0.042 0.000 0.822 243 A HN 0.361 nan 8.150 nan 0.000 0.444 244 V N -0.249 119.606 119.914 -0.099 0.000 2.261 244 V HA -0.235 3.912 4.120 0.046 0.000 0.246 244 V C 3.091 179.034 176.094 -0.252 0.000 1.047 244 V CA 1.967 64.178 62.300 -0.148 0.000 1.015 244 V CB -1.180 30.542 31.823 -0.169 0.000 0.642 244 V HN 0.631 nan 8.190 nan 0.000 0.446 245 A N -0.104 122.503 122.820 -0.356 0.000 1.917 245 A HA -0.220 4.127 4.320 0.046 0.000 0.219 245 A C 2.397 179.953 177.584 -0.048 0.000 1.182 245 A CA 2.439 54.314 52.037 -0.269 0.000 0.633 245 A CB -0.835 18.071 19.000 -0.157 0.000 0.819 245 A HN 0.612 nan 8.150 nan 0.000 0.448 246 A N -0.398 122.392 122.820 -0.050 0.000 1.898 246 A HA -0.140 4.207 4.320 0.046 0.000 0.216 246 A C 2.213 179.806 177.584 0.015 0.000 1.181 246 A CA 1.839 53.871 52.037 -0.009 0.000 0.620 246 A CB -0.475 18.514 19.000 -0.019 0.000 0.819 246 A HN 0.574 nan 8.150 nan 0.000 0.442 247 R N -0.308 120.197 120.500 0.009 0.000 2.105 247 R HA -0.091 4.276 4.340 0.046 0.000 0.239 247 R C 2.105 178.444 176.300 0.066 0.000 1.135 247 R CA 1.685 57.806 56.100 0.034 0.000 0.967 247 R CB -0.374 29.950 30.300 0.039 0.000 0.861 247 R HN 0.424 nan 8.270 nan 0.000 0.442 248 A N -0.547 122.329 122.820 0.094 0.000 1.935 248 A HA -0.053 4.294 4.320 0.046 0.000 0.214 248 A C 1.999 179.672 177.584 0.148 0.000 1.178 248 A CA 1.410 53.545 52.037 0.164 0.000 0.640 248 A CB -0.415 18.791 19.000 0.343 0.000 0.825 248 A HN 0.566 nan 8.150 nan 0.000 0.447 249 T N -4.464 110.175 114.554 0.141 0.000 3.107 249 T HA 0.397 4.775 4.350 0.046 0.000 0.249 249 T C 1.420 176.161 174.700 0.068 0.000 1.096 249 T CA 1.054 63.219 62.100 0.109 0.000 1.012 249 T CB 0.151 69.089 68.868 0.117 0.000 0.977 249 T HN 1.582 nan 8.240 nan 0.000 0.527 250 G N 2.154 110.988 108.800 0.056 0.000 2.189 250 G HA2 -0.283 3.704 3.960 0.046 0.000 0.267 250 G HA3 -0.283 3.704 3.960 0.046 0.000 0.267 250 G C 0.098 175.015 174.900 0.029 0.000 0.975 250 G CA 0.289 45.412 45.100 0.038 0.000 0.644 250 G HN 0.787 nan 8.290 nan 0.000 0.537 251 R N -0.317 120.201 120.500 0.030 0.000 2.888 251 R HA 0.586 4.953 4.340 0.046 0.000 0.266 251 R C -3.019 173.281 176.300 0.000 0.000 1.020 251 R CA -2.417 53.692 56.100 0.016 0.000 0.963 251 R CB 1.201 31.512 30.300 0.019 0.000 1.197 251 R HN -0.004 nan 8.270 nan 0.000 0.481 252 P HA -0.016 nan 4.420 nan 0.000 0.265 252 P C -0.670 176.596 177.300 -0.056 0.000 1.187 252 P CA -0.162 62.921 63.100 -0.029 0.000 0.766 252 P CB 0.407 32.087 31.700 -0.034 0.000 0.820 253 C N 3.924 123.181 119.300 -0.071 0.000 2.481 253 C HA 0.429 4.917 4.460 0.046 0.000 0.324 253 C C 0.124 175.036 174.990 -0.129 0.000 1.170 253 C CA -0.422 58.534 59.018 -0.103 0.000 1.361 253 C CB 1.239 28.938 27.740 -0.068 0.000 1.977 253 C HN 0.521 nan 8.230 nan 0.000 0.459 254 K N 3.182 123.461 120.400 -0.202 0.000 2.207 254 K HA 0.736 5.084 4.320 0.046 0.000 0.255 254 K C -1.150 175.379 176.600 -0.118 0.000 0.941 254 K CA -0.426 55.758 56.287 -0.171 0.000 0.825 254 K CB 1.538 33.901 32.500 -0.229 0.000 1.119 254 K HN 0.783 nan 8.250 nan 0.000 0.430 255 M N 4.987 124.526 119.600 -0.102 0.000 2.204 255 M HA 0.336 4.844 4.480 0.046 0.000 0.293 255 M C -1.337 174.892 176.300 -0.118 0.000 0.994 255 M CA -0.682 54.565 55.300 -0.089 0.000 0.925 255 M CB 1.349 33.848 32.600 -0.167 0.000 1.577 255 M HN 0.616 nan 8.290 nan 0.000 0.439 256 R N 3.613 124.083 120.500 -0.049 0.000 2.670 256 R HA 0.498 4.866 4.340 0.046 0.000 0.289 256 R C -1.938 174.424 176.300 0.104 0.000 0.965 256 R CA -0.727 55.317 56.100 -0.093 0.000 0.899 256 R CB 1.280 31.498 30.300 -0.137 0.000 1.173 256 R HN 0.634 nan 8.270 nan 0.000 0.456 257 Y N 1.344 121.691 120.300 0.078 0.000 2.319 257 Y HA 0.047 4.627 4.550 0.051 0.000 0.328 257 Y C 0.862 176.842 175.900 0.134 0.000 1.133 257 Y CA -0.757 57.421 58.100 0.129 0.000 1.265 257 Y CB 1.084 39.619 38.460 0.125 0.000 1.218 257 Y HN 0.626 nan 8.280 nan 0.000 0.508 258 D N 2.916 123.530 120.400 0.356 0.000 2.372 258 D HA -0.013 4.654 4.640 0.046 0.000 0.243 258 D C 1.156 177.565 176.300 0.182 0.000 1.121 258 D CA -0.106 54.044 54.000 0.250 0.000 0.898 258 D CB 1.070 42.011 40.800 0.234 0.000 1.202 258 D HN 0.610 nan 8.370 nan 0.000 0.428 259 R N 2.295 122.872 120.500 0.128 0.000 2.133 259 R HA -0.237 4.131 4.340 0.046 0.000 0.245 259 R C 1.323 177.679 176.300 0.093 0.000 1.137 259 R CA 2.608 58.764 56.100 0.092 0.000 0.947 259 R CB -0.329 30.009 30.300 0.062 0.000 0.865 259 R HN 0.527 nan 8.270 nan 0.000 0.437 260 D N -0.046 120.415 120.400 0.101 0.000 2.116 260 D HA -0.158 4.510 4.640 0.046 0.000 0.193 260 D C 1.543 177.913 176.300 0.116 0.000 0.998 260 D CA 1.751 55.840 54.000 0.149 0.000 0.836 260 D CB -0.465 40.459 40.800 0.205 0.000 0.951 260 D HN 0.314 nan 8.370 nan 0.000 0.449 261 D N 0.277 120.713 120.400 0.061 0.000 2.133 261 D HA -0.166 4.502 4.640 0.046 0.000 0.195 261 D C 1.667 177.874 176.300 -0.155 0.000 0.997 261 D CA 0.935 54.903 54.000 -0.054 0.000 0.840 261 D CB -0.389 40.369 40.800 -0.070 0.000 0.947 261 D HN 0.183 nan 8.370 nan 0.000 0.452 262 D N -0.069 120.305 120.400 -0.044 0.000 2.116 262 D HA -0.142 4.526 4.640 0.046 0.000 0.193 262 D C 2.000 178.318 176.300 0.029 0.000 0.998 262 D CA 0.912 54.931 54.000 0.032 0.000 0.836 262 D CB -0.003 40.939 40.800 0.236 0.000 0.951 262 D HN 0.203 nan 8.370 nan 0.000 0.449 263 M N -0.139 119.483 119.600 0.037 0.000 2.394 263 M HA -0.075 4.433 4.480 0.046 0.000 0.264 263 M C 2.243 178.561 176.300 0.031 0.000 1.073 263 M CA 0.463 55.778 55.300 0.024 0.000 1.111 263 M CB 0.151 32.768 32.600 0.029 0.000 1.401 263 M HN -0.072 nan 8.290 nan 0.000 0.448 264 V N 0.222 120.155 119.914 0.031 0.000 2.878 264 V HA -0.089 4.059 4.120 0.046 0.000 0.250 264 V C 2.032 178.193 176.094 0.112 0.000 1.075 264 V CA 1.074 63.403 62.300 0.049 0.000 1.096 264 V CB -0.028 31.796 31.823 0.001 0.000 0.724 264 V HN 0.368 nan 8.190 nan 0.000 0.467 265 I N -0.125 120.457 120.570 0.021 0.000 2.494 265 I HA -0.011 4.186 4.170 0.046 0.000 0.250 265 I C 1.564 177.733 176.117 0.087 0.000 1.112 265 I CA 0.831 62.167 61.300 0.060 0.000 1.438 265 I CB -0.224 37.660 38.000 -0.192 0.000 1.111 265 I HN 0.402 nan 8.210 nan 0.000 0.431 266 T N -0.497 114.097 114.554 0.067 0.000 2.816 266 T HA 0.468 4.846 4.350 0.046 0.000 0.282 266 T C 0.464 175.226 174.700 0.103 0.000 0.993 266 T CA -0.432 61.736 62.100 0.115 0.000 0.994 266 T CB 1.288 70.280 68.868 0.207 0.000 1.025 266 T HN 0.197 nan 8.240 nan 0.000 0.529 267 G N 0.062 108.934 108.800 0.120 0.000 2.547 267 G HA2 0.606 4.594 3.960 0.046 0.000 0.291 267 G HA3 0.606 4.594 3.960 0.046 0.000 0.291 267 G C -0.795 174.214 174.900 0.181 0.000 1.211 267 G CA -0.963 44.196 45.100 0.099 0.000 0.950 267 G HN 0.830 nan 8.290 nan 0.000 0.504 268 K N -1.182 119.286 120.400 0.113 0.000 2.399 268 K HA 0.427 4.775 4.320 0.046 0.000 0.260 268 K C -0.136 176.507 176.600 0.071 0.000 1.049 268 K CA -0.955 55.395 56.287 0.104 0.000 0.890 268 K CB 1.846 34.388 32.500 0.070 0.000 1.430 268 K HN 0.436 nan 8.250 nan 0.000 0.459 269 R N 1.211 121.759 120.500 0.081 0.000 2.640 269 R HA 0.013 4.381 4.340 0.046 0.000 0.270 269 R C -0.713 175.624 176.300 0.062 0.000 1.024 269 R CA 0.064 56.187 56.100 0.037 0.000 1.085 269 R CB 0.128 30.256 30.300 -0.288 0.000 0.963 269 R HN 0.519 nan 8.270 nan 0.000 0.426 270 H N 2.487 121.621 119.070 0.107 0.000 2.929 270 H HA -0.026 4.558 4.556 0.046 0.000 0.317 270 H C -0.233 175.244 175.328 0.248 0.000 1.031 270 H CA 0.494 56.630 56.048 0.147 0.000 1.466 270 H CB 0.313 30.185 29.762 0.184 0.000 1.482 270 H HN 0.523 nan 8.280 nan 0.000 0.561 271 D N 3.279 123.834 120.400 0.259 0.000 2.372 271 D HA 0.063 4.730 4.640 0.046 0.000 0.243 271 D C -0.262 176.173 176.300 0.225 0.000 1.121 271 D CA 0.007 54.173 54.000 0.276 0.000 0.898 271 D CB 0.829 41.742 40.800 0.190 0.000 1.202 271 D HN 0.286 nan 8.370 nan 0.000 0.428 272 F N -0.333 119.624 119.950 0.011 0.000 2.561 272 F HA 0.398 4.952 4.527 0.045 0.000 0.321 272 F C 0.861 176.603 175.800 -0.096 0.000 1.065 272 F CA -1.239 56.731 58.000 -0.050 0.000 0.934 272 F CB 2.401 41.328 39.000 -0.121 0.000 1.215 272 F HN 0.089 nan 8.300 nan 0.000 0.471 273 R N 3.137 123.672 120.500 0.060 0.000 2.445 273 R HA 0.686 5.054 4.340 0.046 0.000 0.308 273 R C -1.621 174.754 176.300 0.124 0.000 0.961 273 R CA -0.455 55.664 56.100 0.032 0.000 0.862 273 R CB 1.111 31.427 30.300 0.027 0.000 1.144 273 R HN 0.696 nan 8.270 nan 0.000 0.447 274 I N 3.854 124.478 120.570 0.090 0.000 2.436 274 I HA 0.407 4.604 4.170 0.046 0.000 0.289 274 I C -0.266 176.124 176.117 0.456 0.000 1.010 274 I CA -0.828 60.663 61.300 0.318 0.000 1.098 274 I CB 2.088 40.274 38.000 0.311 0.000 1.266 274 I HN 0.466 nan 8.210 nan 0.000 0.434 275 R N 5.915 126.681 120.500 0.444 0.000 2.387 275 R HA 0.565 4.932 4.340 0.046 0.000 0.314 275 R C -1.643 174.885 176.300 0.379 0.000 0.958 275 R CA -0.524 55.757 56.100 0.301 0.000 0.846 275 R CB 1.424 31.828 30.300 0.174 0.000 1.147 275 R HN 0.567 nan 8.270 nan 0.000 0.447 276 Y N -0.167 120.266 120.300 0.221 0.000 2.576 276 Y HA 0.672 5.249 4.550 0.046 0.000 0.346 276 Y C -1.077 174.777 175.900 -0.077 0.000 1.018 276 Y CA -1.372 56.747 58.100 0.031 0.000 1.050 276 Y CB 1.603 40.123 38.460 0.100 0.000 1.280 276 Y HN 0.332 nan 8.280 nan 0.000 0.474 277 R N 2.999 123.458 120.500 -0.068 0.000 2.514 277 R HA 0.682 5.049 4.340 0.046 0.000 0.296 277 R C -1.829 174.397 176.300 -0.123 0.000 1.012 277 R CA -0.694 55.350 56.100 -0.094 0.000 0.897 277 R CB 2.578 32.808 30.300 -0.117 0.000 1.184 277 R HN 0.942 nan 8.270 nan 0.000 0.440 278 I N 0.869 121.397 120.570 -0.071 0.000 2.865 278 I HA 0.799 4.997 4.170 0.046 0.000 0.302 278 I C -0.992 175.068 176.117 -0.095 0.000 1.140 278 I CA -0.565 60.667 61.300 -0.113 0.000 1.021 278 I CB 2.478 40.414 38.000 -0.106 0.000 1.233 278 I HN 0.734 nan 8.210 nan 0.000 0.427 279 G N 4.003 112.750 108.800 -0.088 0.000 2.690 279 G HA2 0.829 4.817 3.960 0.046 0.000 0.293 279 G HA3 0.829 4.817 3.960 0.046 0.000 0.293 279 G C -2.052 172.819 174.900 -0.048 0.000 1.399 279 G CA -0.269 44.793 45.100 -0.063 0.000 0.890 279 G HN 0.905 nan 8.290 nan 0.000 0.485 280 A N 0.089 122.904 122.820 -0.009 0.000 2.532 280 A HA 0.784 5.131 4.320 0.046 0.000 0.290 280 A C -0.314 177.301 177.584 0.052 0.000 1.143 280 A CA -0.598 51.442 52.037 0.004 0.000 0.728 280 A CB 1.479 20.467 19.000 -0.021 0.000 1.317 280 A HN 0.729 nan 8.150 nan 0.000 0.414 281 D N -0.086 120.335 120.400 0.035 0.000 2.335 281 D HA 0.223 4.891 4.640 0.046 0.000 0.236 281 D C 1.385 177.746 176.300 0.102 0.000 1.297 281 D CA 0.687 54.713 54.000 0.042 0.000 0.906 281 D CB 0.944 41.758 40.800 0.023 0.000 1.164 281 D HN 0.504 nan 8.370 nan 0.000 0.469 282 A N 0.571 123.438 122.820 0.078 0.000 1.970 282 A HA -0.102 4.245 4.320 0.046 0.000 0.216 282 A C 2.162 179.788 177.584 0.070 0.000 1.170 282 A CA 1.562 53.671 52.037 0.120 0.000 0.645 282 A CB -0.462 18.578 19.000 0.067 0.000 0.816 282 A HN 0.572 nan 8.150 nan 0.000 0.447 283 S N -2.000 113.720 115.700 0.033 0.000 2.453 283 S HA 0.332 4.829 4.470 0.046 0.000 0.231 283 S C 1.472 176.061 174.600 -0.018 0.000 1.005 283 S CA 1.290 59.494 58.200 0.007 0.000 0.949 283 S CB -0.098 63.106 63.200 0.006 0.000 0.774 283 S HN 1.770 nan 8.310 nan 0.000 0.510 284 G N 0.391 109.180 108.800 -0.018 0.000 2.205 284 G HA2 -0.143 3.844 3.960 0.046 0.000 0.180 284 G HA3 -0.143 3.844 3.960 0.046 0.000 0.180 284 G C -0.137 174.730 174.900 -0.055 0.000 1.004 284 G CA -0.415 44.651 45.100 -0.057 0.000 0.670 284 G HN 0.348 nan 8.290 nan 0.000 0.496 285 K N 1.265 121.651 120.400 -0.023 0.000 2.412 285 K HA 0.359 4.707 4.320 0.046 0.000 0.281 285 K C 1.235 177.820 176.600 -0.025 0.000 1.027 285 K CA -0.240 56.040 56.287 -0.012 0.000 0.989 285 K CB 0.702 33.218 32.500 0.027 0.000 0.935 285 K HN 0.405 nan 8.250 nan 0.000 0.475 286 L N 3.651 124.845 121.223 -0.048 0.000 2.506 286 L HA -0.075 4.292 4.340 0.046 0.000 0.281 286 L C 1.611 178.445 176.870 -0.060 0.000 1.228 286 L CA 0.136 54.934 54.840 -0.071 0.000 0.850 286 L CB 0.061 42.061 42.059 -0.099 0.000 1.110 286 L HN 0.518 nan 8.230 nan 0.000 0.496 287 L N 1.441 122.626 121.223 -0.064 0.000 2.609 287 L HA 0.417 4.785 4.340 0.046 0.000 0.230 287 L C 0.755 177.576 176.870 -0.081 0.000 1.064 287 L CA 0.236 55.041 54.840 -0.059 0.000 0.873 287 L CB 0.491 42.526 42.059 -0.040 0.000 1.139 287 L HN 0.792 nan 8.230 nan 0.000 0.490 288 G N -0.424 108.323 108.800 -0.089 0.000 2.387 288 G HA2 0.630 4.618 3.960 0.046 0.000 0.294 288 G HA3 0.630 4.618 3.960 0.046 0.000 0.294 288 G C -2.172 172.661 174.900 -0.112 0.000 1.509 288 G CA 0.109 45.153 45.100 -0.093 0.000 0.806 288 G HN 0.032 nan 8.290 nan 0.000 0.546 289 A N 0.307 123.050 122.820 -0.128 0.000 2.488 289 A HA 0.729 5.077 4.320 0.046 0.000 0.295 289 A C -1.862 175.545 177.584 -0.294 0.000 1.045 289 A CA -0.430 51.453 52.037 -0.257 0.000 0.703 289 A CB 2.227 21.103 19.000 -0.207 0.000 1.271 289 A HN 0.867 nan 8.150 nan 0.000 0.400 290 D N 1.377 121.536 120.400 -0.401 0.000 2.492 290 D HA 0.717 5.384 4.640 0.046 0.000 0.248 290 D C -1.357 174.755 176.300 -0.314 0.000 1.101 290 D CA 0.027 53.890 54.000 -0.228 0.000 0.840 290 D CB 0.605 41.340 40.800 -0.107 0.000 1.209 290 D HN 0.229 nan 8.370 nan 0.000 0.524 291 F N 2.034 122.017 119.950 0.054 0.000 2.563 291 F HA 0.585 5.139 4.527 0.046 0.000 0.316 291 F C -0.203 175.607 175.800 0.017 0.000 1.076 291 F CA -1.058 56.995 58.000 0.089 0.000 0.921 291 F CB 2.153 41.188 39.000 0.059 0.000 1.209 291 F HN 0.004 nan 8.300 nan 0.000 0.462 292 V N 1.829 121.932 119.914 0.315 0.000 2.540 292 V HA 0.375 4.522 4.120 0.046 0.000 0.302 292 V C -0.885 175.432 176.094 0.372 0.000 1.035 292 V CA -0.743 61.698 62.300 0.235 0.000 0.873 292 V CB 1.807 33.758 31.823 0.214 0.000 0.992 292 V HN 0.744 nan 8.190 nan 0.000 0.428 293 H N 5.115 124.334 119.070 0.248 0.000 2.539 293 H HA 0.616 5.200 4.556 0.046 0.000 0.332 293 H C -0.956 174.470 175.328 0.163 0.000 1.031 293 H CA -0.792 55.408 56.048 0.253 0.000 1.206 293 H CB 1.632 31.570 29.762 0.293 0.000 1.446 293 H HN 0.425 nan 8.280 nan 0.000 0.496 294 L N 2.873 124.203 121.223 0.179 0.000 2.313 294 L HA 0.657 5.024 4.340 0.046 0.000 0.283 294 L C -0.203 176.481 176.870 -0.310 0.000 1.013 294 L CA -0.817 54.018 54.840 -0.008 0.000 0.816 294 L CB 1.597 43.638 42.059 -0.030 0.000 1.236 294 L HN 0.565 nan 8.230 nan 0.000 0.419 295 A N 3.459 126.020 122.820 -0.431 0.000 2.330 295 A HA 0.585 4.932 4.320 0.046 0.000 0.313 295 A C -0.616 176.795 177.584 -0.288 0.000 1.124 295 A CA -0.690 50.887 52.037 -0.767 0.000 0.774 295 A CB 1.336 19.712 19.000 -1.039 0.000 1.198 295 A HN 0.705 nan 8.150 nan 0.000 0.465 296 R N 2.146 122.530 120.500 -0.193 0.000 2.248 296 R HA 0.285 4.653 4.340 0.046 0.000 0.328 296 R C -0.300 176.021 176.300 0.035 0.000 1.067 296 R CA -0.026 56.030 56.100 -0.073 0.000 0.924 296 R CB 0.570 30.818 30.300 -0.086 0.000 1.013 296 R HN 0.850 nan 8.270 nan 0.000 0.454 297 C N 2.470 121.823 119.300 0.089 0.000 3.230 297 C HA 0.360 4.847 4.460 0.046 0.000 0.300 297 C C 1.046 176.066 174.990 0.049 0.000 1.292 297 C CA 0.294 59.404 59.018 0.154 0.000 1.707 297 C CB -0.561 27.350 27.740 0.285 0.000 2.181 297 C HN 1.079 nan 8.230 nan 0.000 0.655 298 G N 1.003 109.835 108.800 0.054 0.000 2.660 298 G HA2 -0.194 3.793 3.960 0.046 0.000 0.247 298 G HA3 -0.194 3.793 3.960 0.046 0.000 0.247 298 G C 0.223 175.263 174.900 0.234 0.000 1.328 298 G CA 0.046 45.189 45.100 0.072 0.000 0.884 298 G HN 0.587 nan 8.290 nan 0.000 0.531 299 W N 0.416 121.722 121.300 0.009 0.000 3.047 299 W HA 0.497 5.183 4.660 0.044 0.000 0.250 299 W C 0.587 177.231 176.519 0.209 0.000 1.314 299 W CA 1.058 58.465 57.345 0.103 0.000 1.540 299 W CB -0.927 28.606 29.460 0.121 0.000 1.127 299 W HN 1.475 nan 8.180 nan 0.000 0.679 300 S N -0.730 114.731 115.700 -0.399 0.000 2.579 300 S HA 0.625 5.122 4.470 0.046 0.000 0.272 300 S C 0.580 174.770 174.600 -0.682 0.000 1.141 300 S CA 0.017 57.880 58.200 -0.563 0.000 0.843 300 S CB 1.495 63.929 63.200 -1.276 0.000 1.122 300 S HN 0.104 nan 8.310 nan 0.000 0.468 301 A N 1.985 124.255 122.820 -0.916 0.000 1.930 301 A HA 0.089 4.437 4.320 0.046 0.000 0.217 301 A C 1.315 178.590 177.584 -0.514 0.000 1.175 301 A CA 1.720 53.093 52.037 -1.107 0.000 0.627 301 A CB -1.406 16.998 19.000 -0.993 0.000 0.815 301 A HN 1.178 nan 8.150 nan 0.000 0.443 302 D N -1.341 118.844 120.400 -0.358 0.000 3.740 302 D HA -0.254 4.413 4.640 0.046 0.000 0.147 302 D C 0.380 176.624 176.300 -0.093 0.000 0.885 302 D CA 2.177 56.069 54.000 -0.180 0.000 1.051 302 D CB -1.116 39.602 40.800 -0.137 0.000 0.480 302 D HN 0.285 nan 8.370 nan 0.000 0.469 303 L N 0.931 122.152 121.223 -0.004 0.000 2.818 303 L HA 0.153 4.520 4.340 0.046 0.000 0.243 303 L C 2.154 179.010 176.870 -0.024 0.000 1.185 303 L CA -0.150 54.721 54.840 0.051 0.000 0.988 303 L CB 0.383 42.555 42.059 0.188 0.000 1.292 303 L HN 0.119 nan 8.230 nan 0.000 0.519 304 S N 0.760 116.438 115.700 -0.038 0.000 2.380 304 S HA -0.260 4.238 4.470 0.046 0.000 0.229 304 S C 1.878 176.365 174.600 -0.188 0.000 1.043 304 S CA 1.703 59.829 58.200 -0.122 0.000 1.038 304 S CB -0.177 62.981 63.200 -0.071 0.000 0.872 304 S HN 0.481 nan 8.310 nan 0.000 0.456 305 L N 2.313 123.469 121.223 -0.112 0.000 1.970 305 L HA -0.080 4.288 4.340 0.046 0.000 0.212 305 L C -0.821 176.039 176.870 -0.015 0.000 1.071 305 L CA 1.627 56.436 54.840 -0.051 0.000 0.751 305 L CB -1.100 40.950 42.059 -0.015 0.000 0.889 305 L HN 0.228 nan 8.230 nan 0.000 0.432 306 P HA -0.098 nan 4.420 nan 0.000 0.217 306 P C 2.001 179.237 177.300 -0.106 0.000 1.151 306 P CA 1.192 64.372 63.100 0.132 0.000 0.828 306 P CB -0.022 31.901 31.700 0.372 0.000 0.788 307 V N 0.524 120.151 119.914 -0.480 0.000 2.282 307 V HA -0.279 3.868 4.120 0.046 0.000 0.249 307 V C 2.766 178.673 176.094 -0.312 0.000 1.057 307 V CA 2.306 64.174 62.300 -0.720 0.000 1.032 307 V CB -1.438 29.919 31.823 -0.776 0.000 0.645 307 V HN 0.181 nan 8.190 nan 0.000 0.447 308 C N -0.432 118.749 119.300 -0.199 0.000 2.450 308 C HA -0.069 4.418 4.460 0.046 0.000 0.279 308 C C 2.407 177.397 174.990 0.001 0.000 1.335 308 C CA 0.336 59.332 59.018 -0.037 0.000 1.749 308 C CB -1.050 26.665 27.740 -0.042 0.000 1.963 308 C HN 0.596 nan 8.230 nan 0.000 0.501 309 D N 0.596 121.007 120.400 0.019 0.000 2.144 309 D HA -0.134 4.534 4.640 0.046 0.000 0.199 309 D C 2.300 178.691 176.300 0.151 0.000 0.984 309 D CA 1.007 55.077 54.000 0.117 0.000 0.834 309 D CB -0.436 40.538 40.800 0.289 0.000 0.955 309 D HN 0.486 nan 8.370 nan 0.000 0.465 310 R N 0.304 120.876 120.500 0.120 0.000 2.115 310 R HA 0.026 4.394 4.340 0.046 0.000 0.226 310 R C 1.996 178.434 176.300 0.230 0.000 1.100 310 R CA 1.038 57.257 56.100 0.198 0.000 0.980 310 R CB 0.013 30.437 30.300 0.207 0.000 0.875 310 R HN 0.089 nan 8.270 nan 0.000 0.445 311 A N 0.838 123.713 122.820 0.091 0.000 1.930 311 A HA -0.141 4.207 4.320 0.046 0.000 0.217 311 A C 2.140 179.863 177.584 0.232 0.000 1.175 311 A CA 1.302 53.375 52.037 0.060 0.000 0.627 311 A CB -0.354 18.574 19.000 -0.121 0.000 0.815 311 A HN 0.306 nan 8.150 nan 0.000 0.443 312 M N -1.038 118.671 119.600 0.182 0.000 2.117 312 M HA -0.123 4.385 4.480 0.046 0.000 0.262 312 M C 1.795 178.335 176.300 0.401 0.000 1.065 312 M CA 1.122 56.507 55.300 0.142 0.000 1.114 312 M CB -0.478 31.890 32.600 -0.386 0.000 1.361 312 M HN 0.281 nan 8.290 nan 0.000 0.408 313 L N -0.633 120.792 121.223 0.336 0.000 2.353 313 L HA -0.162 4.206 4.340 0.046 0.000 0.220 313 L C 1.457 178.403 176.870 0.128 0.000 1.133 313 L CA 1.945 56.892 54.840 0.179 0.000 0.798 313 L CB -1.162 40.819 42.059 -0.130 0.000 0.922 313 L HN 0.328 nan 8.230 nan 0.000 0.445 314 H N -2.403 116.824 119.070 0.261 0.000 2.542 314 H HA 0.351 4.934 4.556 0.046 0.000 0.283 314 H C 1.827 177.268 175.328 0.188 0.000 1.059 314 H CA 0.509 56.685 56.048 0.213 0.000 1.162 314 H CB 0.313 30.111 29.762 0.061 0.000 1.539 314 H HN 0.171 nan 8.280 nan 0.000 0.543 315 A N 0.901 123.883 122.820 0.269 0.000 2.225 315 A HA -0.148 4.199 4.320 0.046 0.000 0.215 315 A C 1.543 179.145 177.584 0.030 0.000 1.164 315 A CA 1.461 53.480 52.037 -0.030 0.000 0.710 315 A CB -0.181 18.692 19.000 -0.211 0.000 0.780 315 A HN 0.525 nan 8.150 nan 0.000 0.473 316 D N -1.140 119.408 120.400 0.248 0.000 2.340 316 D HA 0.224 4.892 4.640 0.046 0.000 0.220 316 D C 1.244 177.713 176.300 0.281 0.000 1.039 316 D CA 0.828 54.998 54.000 0.283 0.000 0.866 316 D CB -0.873 40.178 40.800 0.419 0.000 0.913 316 D HN 0.470 nan 8.370 nan 0.000 0.523 317 G N 1.220 110.160 108.800 0.233 0.000 2.661 317 G HA2 -0.361 3.626 3.960 0.046 0.000 0.327 317 G HA3 -0.361 3.626 3.960 0.046 0.000 0.327 317 G C 0.709 175.587 174.900 -0.036 0.000 1.320 317 G CA 1.139 46.323 45.100 0.141 0.000 0.997 317 G HN 0.379 nan 8.290 nan 0.000 0.543 318 S N 0.706 116.100 115.700 -0.510 0.000 2.679 318 S HA 0.445 4.943 4.470 0.046 0.000 0.233 318 S C -0.414 173.897 174.600 -0.481 0.000 0.951 318 S CA 0.311 58.233 58.200 -0.465 0.000 0.973 318 S CB -0.108 62.836 63.200 -0.427 0.000 0.778 318 S HN 0.464 nan 8.310 nan 0.000 0.477 319 Y N -0.094 120.321 120.300 0.192 0.000 2.485 319 Y HA 0.552 5.129 4.550 0.046 0.000 0.345 319 Y C -0.316 175.307 175.900 -0.461 0.000 0.998 319 Y CA -1.912 56.145 58.100 -0.071 0.000 1.059 319 Y CB 0.672 39.137 38.460 0.008 0.000 1.234 319 Y HN 0.124 nan 8.280 nan 0.000 0.461 320 F N 2.835 122.389 119.950 -0.661 0.000 2.456 320 F HA 0.563 5.117 4.527 0.046 0.000 0.358 320 F C -0.865 174.851 175.800 -0.141 0.000 1.095 320 F CA -0.607 57.041 58.000 -0.586 0.000 1.216 320 F CB 0.435 39.178 39.000 -0.430 0.000 1.125 320 F HN 0.188 nan 8.300 nan 0.000 0.549 321 V N 8.945 128.316 119.914 -0.904 0.000 2.488 321 V HA 0.224 4.371 4.120 0.046 0.000 0.293 321 V C -1.903 173.729 176.094 -0.770 0.000 1.027 321 V CA -1.141 60.782 62.300 -0.629 0.000 0.862 321 V CB 1.635 33.322 31.823 -0.228 0.000 1.008 321 V HN 0.659 nan 8.190 nan 0.000 0.428 322 P HA 0.040 nan 4.420 nan 0.000 0.218 322 P C 0.253 177.450 177.300 -0.173 0.000 1.149 322 P CA 1.049 63.911 63.100 -0.397 0.000 0.817 322 P CB 0.417 32.020 31.700 -0.162 0.000 0.785 323 A N -0.616 122.123 122.820 -0.136 0.000 2.374 323 A HA 0.741 5.089 4.320 0.046 0.000 0.305 323 A C -1.419 176.137 177.584 -0.047 0.000 1.053 323 A CA -0.556 51.448 52.037 -0.056 0.000 0.726 323 A CB 0.797 19.777 19.000 -0.033 0.000 1.229 323 A HN 0.109 nan 8.150 nan 0.000 0.431 324 L N 1.570 122.796 121.223 0.005 0.000 2.549 324 L HA 0.708 5.076 4.340 0.046 0.000 0.259 324 L C -0.820 176.097 176.870 0.079 0.000 0.934 324 L CA -0.421 54.429 54.840 0.018 0.000 0.865 324 L CB 1.922 43.966 42.059 -0.025 0.000 1.352 324 L HN 0.892 nan 8.230 nan 0.000 0.410 325 R N 3.908 124.462 120.500 0.090 0.000 2.686 325 R HA 0.821 5.189 4.340 0.046 0.000 0.283 325 R C -1.822 174.565 176.300 0.145 0.000 0.978 325 R CA -0.546 55.629 56.100 0.125 0.000 0.897 325 R CB 1.858 32.205 30.300 0.077 0.000 1.192 325 R HN 0.609 nan 8.270 nan 0.000 0.457 326 I N 1.852 122.494 120.570 0.120 0.000 2.582 326 I HA 0.319 4.516 4.170 0.046 0.000 0.292 326 I C -0.877 175.191 176.117 -0.082 0.000 1.066 326 I CA -0.508 60.790 61.300 -0.004 0.000 1.053 326 I CB 2.257 40.199 38.000 -0.098 0.000 1.241 326 I HN 0.565 nan 8.210 nan 0.000 0.421 327 E N 4.382 124.521 120.200 -0.103 0.000 2.216 327 E HA 0.465 4.843 4.350 0.046 0.000 0.260 327 E C -1.503 175.005 176.600 -0.154 0.000 0.880 327 E CA -0.399 55.928 56.400 -0.122 0.000 0.765 327 E CB 1.646 31.328 29.700 -0.030 0.000 1.174 327 E HN 0.529 nan 8.360 nan 0.000 0.417 328 S N 4.867 120.416 115.700 -0.250 0.000 2.498 328 S HA 0.309 4.806 4.470 0.046 0.000 0.324 328 S C -1.008 173.473 174.600 -0.199 0.000 1.071 328 S CA -0.653 57.462 58.200 -0.141 0.000 1.113 328 S CB 0.416 63.524 63.200 -0.153 0.000 0.976 328 S HN 0.551 nan 8.310 nan 0.000 0.462 329 H N 4.929 123.998 119.070 -0.002 0.000 2.488 329 H HA 0.404 4.988 4.556 0.046 0.000 0.322 329 H C -0.059 175.239 175.328 -0.050 0.000 1.078 329 H CA -0.767 55.267 56.048 -0.023 0.000 1.260 329 H CB 0.961 30.710 29.762 -0.022 0.000 1.425 329 H HN 0.542 nan 8.280 nan 0.000 0.471 330 R N 4.065 124.610 120.500 0.075 0.000 2.272 330 R HA 0.335 4.702 4.340 0.046 0.000 0.323 330 R C -0.580 175.784 176.300 0.108 0.000 1.002 330 R CA -0.629 55.515 56.100 0.074 0.000 0.900 330 R CB 0.546 30.908 30.300 0.103 0.000 1.151 330 R HN 0.454 nan 8.270 nan 0.000 0.507 331 L N 3.257 124.509 121.223 0.048 0.000 2.275 331 L HA 0.466 4.834 4.340 0.046 0.000 0.288 331 L C 0.781 177.631 176.870 -0.033 0.000 1.046 331 L CA -0.690 54.139 54.840 -0.019 0.000 0.805 331 L CB 1.238 43.269 42.059 -0.048 0.000 1.193 331 L HN 0.398 nan 8.230 nan 0.000 0.426 332 R N 2.556 122.943 120.500 -0.187 0.000 2.308 332 R HA 0.522 4.889 4.340 0.046 0.000 0.305 332 R C -0.488 175.757 176.300 -0.092 0.000 1.053 332 R CA -0.139 55.830 56.100 -0.217 0.000 0.957 332 R CB 1.165 31.059 30.300 -0.676 0.000 1.022 332 R HN 0.795 nan 8.270 nan 0.000 0.461 333 T N 0.195 114.745 114.554 -0.007 0.000 2.841 333 T HA 0.286 4.663 4.350 0.046 0.000 0.296 333 T C -0.497 174.229 174.700 0.044 0.000 1.166 333 T CA -1.103 60.982 62.100 -0.025 0.000 1.007 333 T CB 1.281 70.089 68.868 -0.100 0.000 1.253 333 T HN 0.608 nan 8.240 nan 0.000 0.511 334 N N 1.630 120.339 118.700 0.015 0.000 3.245 334 N HA 0.430 5.197 4.740 0.046 0.000 0.296 334 N C -0.132 175.384 175.510 0.010 0.000 1.254 334 N CA -0.301 52.799 53.050 0.084 0.000 1.190 334 N CB 0.307 38.834 38.487 0.066 0.000 1.460 334 N HN 0.857 nan 8.380 nan 0.000 0.538 335 T N -3.222 111.308 114.554 -0.040 0.000 2.681 335 T HA 0.347 4.725 4.350 0.046 0.000 0.296 335 T C -0.413 174.123 174.700 -0.273 0.000 1.157 335 T CA -1.052 60.947 62.100 -0.167 0.000 1.025 335 T CB 0.703 69.287 68.868 -0.473 0.000 1.441 335 T HN -0.108 nan 8.240 nan 0.000 0.504 336 Q N 1.743 121.372 119.800 -0.284 0.000 2.283 336 Q HA 0.325 4.692 4.340 0.046 0.000 0.301 336 Q C 0.323 176.243 176.000 -0.134 0.000 1.063 336 Q CA 0.255 55.823 55.803 -0.393 0.000 0.952 336 Q CB 0.322 29.012 28.738 -0.081 0.000 1.166 336 Q HN 0.696 nan 8.270 nan 0.000 0.381 337 S N 4.229 119.898 115.700 -0.051 0.000 2.457 337 S HA 0.043 4.541 4.470 0.046 0.000 0.294 337 S C 0.063 174.583 174.600 -0.133 0.000 1.201 337 S CA -0.724 57.399 58.200 -0.129 0.000 1.112 337 S CB -0.156 62.846 63.200 -0.331 0.000 1.018 337 S HN 0.492 nan 8.310 nan 0.000 0.511 338 N N 3.184 121.757 118.700 -0.212 0.000 2.307 338 N HA 0.207 4.975 4.740 0.046 0.000 0.230 338 N C 0.385 175.729 175.510 -0.275 0.000 1.297 338 N CA 0.278 53.098 53.050 -0.383 0.000 0.884 338 N CB 0.898 38.890 38.487 -0.825 0.000 1.115 338 N HN 0.751 nan 8.380 nan 0.000 0.436 339 T N -1.780 112.698 114.554 -0.126 0.000 2.630 339 T HA 0.580 4.958 4.350 0.046 0.000 0.300 339 T C -1.451 173.421 174.700 0.288 0.000 1.261 339 T CA -0.428 61.762 62.100 0.150 0.000 1.060 339 T CB 0.182 69.138 68.868 0.148 0.000 1.670 339 T HN 0.505 nan 8.240 nan 0.000 0.473 340 A N 0.828 123.848 122.820 0.334 0.000 2.386 340 A HA 0.706 5.054 4.320 0.046 0.000 0.248 340 A C -0.841 177.045 177.584 0.503 0.000 1.082 340 A CA -0.159 52.148 52.037 0.452 0.000 0.789 340 A CB -0.341 19.009 19.000 0.583 0.000 1.025 340 A HN 0.761 nan 8.150 nan 0.000 0.490 341 F N 0.709 120.820 119.950 0.269 0.000 2.623 341 F HA 0.400 4.956 4.527 0.048 0.000 0.323 341 F C 0.336 176.081 175.800 -0.091 0.000 1.158 341 F CA -0.926 57.154 58.000 0.133 0.000 1.030 341 F CB 1.237 40.170 39.000 -0.112 0.000 1.280 341 F HN 0.809 nan 8.300 nan 0.000 0.474 342 R N 3.866 124.553 120.500 0.311 0.000 4.180 342 R HA -0.019 4.348 4.340 0.046 0.000 0.125 342 R C 1.019 177.070 176.300 -0.415 0.000 0.390 342 R CA 2.139 58.213 56.100 -0.043 0.000 0.811 342 R CB -0.584 29.678 30.300 -0.064 0.000 1.084 342 R HN 1.195 nan 8.270 nan 0.000 0.234 343 G N 3.502 112.206 108.800 -0.160 0.000 2.349 343 G HA2 -0.322 3.665 3.960 0.046 0.000 0.213 343 G HA3 -0.322 3.665 3.960 0.046 0.000 0.213 343 G C 0.217 175.229 174.900 0.187 0.000 1.044 343 G CA -0.085 44.982 45.100 -0.054 0.000 0.633 343 G HN 0.862 nan 8.290 nan 0.000 0.506 344 F N 0.892 120.792 119.950 -0.084 0.000 2.797 344 F HA 0.097 4.651 4.527 0.046 0.000 0.273 344 F C 1.828 177.593 175.800 -0.059 0.000 1.020 344 F CA 2.541 60.530 58.000 -0.019 0.000 0.961 344 F CB -1.032 37.976 39.000 0.013 0.000 1.020 344 F HN 2.107 nan 8.300 nan 0.000 0.840 345 G N 0.220 108.910 108.800 -0.184 0.000 2.417 345 G HA2 -0.315 3.672 3.960 0.046 0.000 0.233 345 G HA3 -0.315 3.672 3.960 0.046 0.000 0.233 345 G C 1.776 176.543 174.900 -0.222 0.000 1.103 345 G CA 0.900 45.860 45.100 -0.233 0.000 0.647 345 G HN 1.662 nan 8.290 nan 0.000 0.512 346 G N 2.080 110.759 108.800 -0.202 0.000 2.599 346 G HA2 -0.073 3.914 3.960 0.046 0.000 0.219 346 G HA3 -0.073 3.914 3.960 0.046 0.000 0.219 346 G C 0.127 174.921 174.900 -0.177 0.000 1.193 346 G CA 2.223 47.080 45.100 -0.404 0.000 0.778 346 G HN 0.586 nan 8.290 nan 0.000 0.589 347 P HA -0.013 nan 4.420 nan 0.000 0.219 347 P C 1.731 179.065 177.300 0.058 0.000 1.150 347 P CA 1.150 64.305 63.100 0.091 0.000 0.814 347 P CB 0.059 31.839 31.700 0.134 0.000 0.787 348 Q N -0.695 119.002 119.800 -0.172 0.000 2.049 348 Q HA -0.000 4.367 4.340 0.046 0.000 0.198 348 Q C 2.412 178.166 176.000 -0.409 0.000 0.971 348 Q CA 1.917 57.489 55.803 -0.385 0.000 0.833 348 Q CB -1.591 26.457 28.738 -1.151 0.000 0.896 348 Q HN 0.214 nan 8.270 nan 0.000 0.434 349 G N 0.078 108.660 108.800 -0.363 0.000 2.408 349 G HA2 -0.153 3.835 3.960 0.046 0.000 0.217 349 G HA3 -0.153 3.835 3.960 0.046 0.000 0.217 349 G C 1.448 176.314 174.900 -0.057 0.000 1.150 349 G CA 0.777 45.750 45.100 -0.210 0.000 0.776 349 G HN 0.426 nan 8.290 nan 0.000 0.542 350 A N 0.545 123.378 122.820 0.021 0.000 1.898 350 A HA 0.109 4.456 4.320 0.046 0.000 0.216 350 A C 2.306 179.952 177.584 0.103 0.000 1.181 350 A CA 1.530 53.628 52.037 0.102 0.000 0.620 350 A CB -0.441 18.640 19.000 0.136 0.000 0.819 350 A HN 0.446 nan 8.150 nan 0.000 0.442 351 L N 0.371 121.650 121.223 0.094 0.000 2.191 351 L HA -0.017 4.351 4.340 0.046 0.000 0.212 351 L C 2.267 179.254 176.870 0.195 0.000 1.103 351 L CA 2.044 56.957 54.840 0.122 0.000 0.769 351 L CB -0.964 41.139 42.059 0.073 0.000 0.908 351 L HN 0.294 nan 8.230 nan 0.000 0.438 352 G N -0.324 108.565 108.800 0.149 0.000 2.440 352 G HA2 -0.361 3.626 3.960 0.046 0.000 0.218 352 G HA3 -0.361 3.626 3.960 0.046 0.000 0.218 352 G C 1.538 176.559 174.900 0.201 0.000 1.154 352 G CA 1.111 46.353 45.100 0.237 0.000 0.767 352 G HN 0.476 nan 8.290 nan 0.000 0.552 353 M N 0.116 119.783 119.600 0.112 0.000 2.388 353 M HA 0.217 4.724 4.480 0.046 0.000 0.265 353 M C 2.062 178.484 176.300 0.204 0.000 1.088 353 M CA 1.062 56.514 55.300 0.253 0.000 1.134 353 M CB 0.018 32.784 32.600 0.277 0.000 1.384 353 M HN 0.045 nan 8.290 nan 0.000 0.447 354 E N 0.156 120.462 120.200 0.177 0.000 2.072 354 E HA -0.116 4.262 4.350 0.046 0.000 0.190 354 E C 2.143 178.757 176.600 0.023 0.000 0.982 354 E CA 0.629 57.123 56.400 0.157 0.000 0.803 354 E CB -0.416 29.393 29.700 0.183 0.000 0.755 354 E HN 0.437 nan 8.360 nan 0.000 0.453 355 R N 0.920 121.387 120.500 -0.055 0.000 2.094 355 R HA -0.127 4.241 4.340 0.046 0.000 0.239 355 R C 2.197 178.333 176.300 -0.274 0.000 1.137 355 R CA 1.489 57.441 56.100 -0.247 0.000 0.943 355 R CB -0.795 29.129 30.300 -0.627 0.000 0.850 355 R HN 0.166 nan 8.270 nan 0.000 0.433 356 A N 1.089 123.654 122.820 -0.424 0.000 1.849 356 A HA -0.218 4.130 4.320 0.046 0.000 0.217 356 A C 2.369 179.852 177.584 -0.169 0.000 1.202 356 A CA 1.837 53.561 52.037 -0.521 0.000 0.629 356 A CB -0.912 17.880 19.000 -0.346 0.000 0.834 356 A HN 0.413 nan 8.150 nan 0.000 0.447 357 I N -0.647 119.856 120.570 -0.112 0.000 2.423 357 I HA -0.266 3.931 4.170 0.046 0.000 0.254 357 I C 2.314 178.379 176.117 -0.087 0.000 1.151 357 I CA 2.162 63.383 61.300 -0.131 0.000 1.421 357 I CB -0.060 37.811 38.000 -0.215 0.000 1.079 357 I HN 0.576 nan 8.210 nan 0.000 0.431 358 E N -0.240 119.932 120.200 -0.046 0.000 2.107 358 E HA -0.299 4.079 4.350 0.046 0.000 0.191 358 E C 2.206 178.839 176.600 0.054 0.000 0.982 358 E CA 1.225 57.622 56.400 -0.005 0.000 0.809 358 E CB -0.224 29.443 29.700 -0.056 0.000 0.756 358 E HN 0.540 nan 8.360 nan 0.000 0.459 359 H N 0.115 119.118 119.070 -0.113 0.000 2.353 359 H HA -0.088 4.495 4.556 0.046 0.000 0.300 359 H C 1.955 177.111 175.328 -0.288 0.000 1.090 359 H CA 1.599 57.435 56.048 -0.354 0.000 1.327 359 H CB -0.499 29.067 29.762 -0.326 0.000 1.383 359 H HN 0.300 nan 8.280 nan 0.000 0.508 360 L N 0.740 121.913 121.223 -0.083 0.000 1.989 360 L HA -0.123 4.245 4.340 0.046 0.000 0.211 360 L C 2.635 179.437 176.870 -0.113 0.000 1.071 360 L CA 2.302 57.057 54.840 -0.142 0.000 0.749 360 L CB -1.334 40.645 42.059 -0.133 0.000 0.890 360 L HN 0.308 nan 8.230 nan 0.000 0.431 361 A N -0.676 122.094 122.820 -0.082 0.000 1.917 361 A HA -0.230 4.118 4.320 0.046 0.000 0.219 361 A C 2.304 179.871 177.584 -0.028 0.000 1.182 361 A CA 1.771 53.768 52.037 -0.067 0.000 0.633 361 A CB -0.555 18.422 19.000 -0.039 0.000 0.819 361 A HN 0.453 nan 8.150 nan 0.000 0.448 362 R N -0.649 119.870 120.500 0.033 0.000 2.081 362 R HA -0.106 4.262 4.340 0.046 0.000 0.235 362 R C 2.402 178.711 176.300 0.014 0.000 1.131 362 R CA 1.321 57.466 56.100 0.074 0.000 0.960 362 R CB -1.756 28.662 30.300 0.196 0.000 0.856 362 R HN 0.536 nan 8.270 nan 0.000 0.436 363 G N 1.837 110.618 108.800 -0.030 0.000 2.469 363 G HA2 -0.259 3.728 3.960 0.046 0.000 0.220 363 G HA3 -0.259 3.728 3.960 0.046 0.000 0.220 363 G C 1.325 176.190 174.900 -0.059 0.000 1.136 363 G CA 1.194 46.260 45.100 -0.057 0.000 0.759 363 G HN 0.460 nan 8.290 nan 0.000 0.562 364 M N -0.686 118.840 119.600 -0.125 0.000 2.475 364 M HA 0.518 5.025 4.480 0.046 0.000 0.261 364 M C 1.267 177.492 176.300 -0.125 0.000 1.177 364 M CA 0.251 55.431 55.300 -0.200 0.000 0.979 364 M CB 0.327 32.598 32.600 -0.549 0.000 1.482 364 M HN 0.175 nan 8.290 nan 0.000 0.484 365 G N 2.131 110.893 108.800 -0.064 0.000 2.321 365 G HA2 -0.276 3.712 3.960 0.046 0.000 0.287 365 G HA3 -0.276 3.712 3.960 0.046 0.000 0.287 365 G C -0.008 174.862 174.900 -0.050 0.000 1.018 365 G CA 0.412 45.489 45.100 -0.039 0.000 0.855 365 G HN 0.646 nan 8.290 nan 0.000 0.507 366 R N -0.424 120.036 120.500 -0.067 0.000 2.643 366 R HA 0.402 4.769 4.340 0.046 0.000 0.272 366 R C -0.422 175.858 176.300 -0.033 0.000 0.995 366 R CA -0.767 55.295 56.100 -0.063 0.000 1.032 366 R CB 0.649 30.891 30.300 -0.098 0.000 1.126 366 R HN 0.198 nan 8.270 nan 0.000 0.505 367 D N 2.473 122.858 120.400 -0.026 0.000 2.371 367 D HA 0.073 4.740 4.640 0.046 0.000 0.256 367 D C -1.705 174.599 176.300 0.005 0.000 1.193 367 D CA -1.911 52.087 54.000 -0.002 0.000 0.881 367 D CB 1.421 42.220 40.800 -0.001 0.000 1.143 367 D HN 0.162 nan 8.370 nan 0.000 0.473 368 P HA -0.165 nan 4.420 nan 0.000 0.216 368 P C 0.952 178.269 177.300 0.027 0.000 1.150 368 P CA 1.795 64.910 63.100 0.026 0.000 0.843 368 P CB 0.090 31.835 31.700 0.075 0.000 0.787 369 A N -0.123 122.752 122.820 0.092 0.000 1.902 369 A HA -0.202 4.145 4.320 0.046 0.000 0.217 369 A C 2.188 179.788 177.584 0.027 0.000 1.181 369 A CA 1.547 53.655 52.037 0.119 0.000 0.623 369 A CB -0.984 18.184 19.000 0.281 0.000 0.818 369 A HN 0.070 nan 8.150 nan 0.000 0.443 370 E N -0.492 119.714 120.200 0.009 0.000 2.107 370 E HA -0.111 4.266 4.350 0.046 0.000 0.191 370 E C 1.946 178.484 176.600 -0.104 0.000 0.982 370 E CA 0.714 57.093 56.400 -0.035 0.000 0.809 370 E CB -0.593 29.095 29.700 -0.021 0.000 0.756 370 E HN 0.456 nan 8.360 nan 0.000 0.459 371 L N 1.518 122.675 121.223 -0.110 0.000 1.989 371 L HA -0.187 4.181 4.340 0.046 0.000 0.211 371 L C 2.313 179.029 176.870 -0.256 0.000 1.071 371 L CA 1.782 56.525 54.840 -0.163 0.000 0.749 371 L CB -0.361 41.604 42.059 -0.157 0.000 0.890 371 L HN -0.011 nan 8.230 nan 0.000 0.431 372 R N -0.925 119.413 120.500 -0.271 0.000 2.082 372 R HA -0.176 4.191 4.340 0.046 0.000 0.234 372 R C 2.192 178.067 176.300 -0.707 0.000 1.136 372 R CA 1.542 57.413 56.100 -0.381 0.000 0.935 372 R CB -0.898 29.343 30.300 -0.099 0.000 0.842 372 R HN 0.499 nan 8.270 nan 0.000 0.430 373 A N 1.202 123.641 122.820 -0.635 0.000 1.948 373 A HA -0.195 4.153 4.320 0.046 0.000 0.220 373 A C 2.102 179.406 177.584 -0.467 0.000 1.177 373 A CA 1.314 52.905 52.037 -0.744 0.000 0.636 373 A CB -0.507 18.370 19.000 -0.204 0.000 0.815 373 A HN 0.240 nan 8.150 nan 0.000 0.449 374 L N -0.130 120.926 121.223 -0.280 0.000 2.201 374 L HA -0.058 4.310 4.340 0.046 0.000 0.212 374 L C 1.388 178.194 176.870 -0.107 0.000 1.105 374 L CA 1.624 56.376 54.840 -0.146 0.000 0.775 374 L CB -0.337 41.653 42.059 -0.115 0.000 0.913 374 L HN 0.384 nan 8.230 nan 0.000 0.440 375 N N -1.594 117.009 118.700 -0.161 0.000 2.203 375 N HA 0.095 4.863 4.740 0.046 0.000 0.207 375 N C 0.004 175.637 175.510 0.205 0.000 1.130 375 N CA -0.091 52.957 53.050 -0.003 0.000 0.861 375 N CB 0.255 38.687 38.487 -0.093 0.000 1.005 375 N HN 0.218 nan 8.380 nan 0.000 0.507 376 F N 0.887 120.978 119.950 0.235 0.000 2.589 376 F HA -0.036 4.519 4.527 0.046 0.000 0.352 376 F C 1.044 176.898 175.800 0.090 0.000 1.168 376 F CA -0.629 57.470 58.000 0.166 0.000 1.353 376 F CB 0.278 39.338 39.000 0.100 0.000 1.116 376 F HN -0.001 nan 8.300 nan 0.000 0.608 377 Y N 1.123 121.595 120.300 0.287 0.000 2.607 377 Y HA -0.079 4.499 4.550 0.046 0.000 0.348 377 Y C 0.793 176.737 175.900 0.073 0.000 1.261 377 Y CA -0.213 57.971 58.100 0.141 0.000 1.480 377 Y CB 0.090 38.586 38.460 0.061 0.000 1.358 377 Y HN 0.421 nan 8.280 nan 0.000 0.630 378 D N 3.118 123.618 120.400 0.165 0.000 2.372 378 D HA 0.117 4.784 4.640 0.046 0.000 0.243 378 D C -2.121 174.207 176.300 0.047 0.000 1.121 378 D CA -1.012 53.031 54.000 0.072 0.000 0.898 378 D CB 0.399 41.201 40.800 0.003 0.000 1.202 378 D HN 0.247 nan 8.370 nan 0.000 0.428 379 P HA 0.099 nan 4.420 nan 0.000 0.271 379 P C -2.400 174.902 177.300 0.004 0.000 1.233 379 P CA -0.668 62.431 63.100 -0.001 0.000 0.795 379 P CB -0.365 31.342 31.700 0.013 0.000 0.936 380 P HA 0.318 nan 4.420 nan 0.000 0.281 380 P C -0.585 176.726 177.300 0.018 0.000 1.264 380 P CA -0.065 63.045 63.100 0.016 0.000 0.824 380 P CB 0.314 32.029 31.700 0.025 0.000 1.092 399 K N 0.814 121.216 120.400 0.003 0.000 5.510 399 K HA -0.181 4.167 4.320 0.046 0.000 0.595 399 K C -1.379 175.214 176.600 -0.011 0.000 1.631 399 K CA 1.275 57.563 56.287 0.001 0.000 1.368 399 K CB -1.998 30.505 32.500 0.004 0.000 1.839 399 K HN 0.652 nan 8.250 nan 0.000 0.296 400 T N 4.322 118.874 114.554 -0.003 0.000 2.909 400 T HA 0.224 4.602 4.350 0.046 0.000 0.286 400 T C 0.478 175.170 174.700 -0.013 0.000 1.002 400 T CA -0.711 61.383 62.100 -0.009 0.000 1.074 400 T CB 1.059 69.932 68.868 0.009 0.000 0.984 400 T HN 0.486 nan 8.240 nan 0.000 0.495 401 Q N 1.212 120.988 119.800 -0.040 0.000 2.417 401 Q HA 0.433 4.800 4.340 0.046 0.000 0.241 401 Q C 0.624 176.690 176.000 0.109 0.000 1.008 401 Q CA -0.399 55.383 55.803 -0.035 0.000 0.901 401 Q CB 0.515 29.148 28.738 -0.174 0.000 1.259 401 Q HN 0.820 nan 8.270 nan 0.000 0.489 402 T N -2.711 111.986 114.554 0.237 0.000 2.910 402 T HA 0.577 4.954 4.350 0.046 0.000 0.287 402 T C 0.112 174.976 174.700 0.273 0.000 1.050 402 T CA -0.766 61.434 62.100 0.166 0.000 1.011 402 T CB 1.556 70.475 68.868 0.086 0.000 1.195 402 T HN 0.678 nan 8.240 nan 0.000 0.540 403 T N -1.519 113.023 114.554 -0.021 0.000 2.897 403 T HA 0.304 4.682 4.350 0.046 0.000 0.278 403 T C 1.374 176.024 174.700 -0.084 0.000 0.981 403 T CA -0.412 61.637 62.100 -0.085 0.000 0.973 403 T CB 0.399 68.771 68.868 -0.827 0.000 1.092 403 T HN 0.915 nan 8.240 nan 0.000 0.543 404 H N -0.104 118.954 119.070 -0.020 0.000 2.561 404 H HA -0.030 4.553 4.556 0.046 0.000 0.278 404 H C 1.039 176.426 175.328 0.099 0.000 1.014 404 H CA 0.974 57.071 56.048 0.082 0.000 1.211 404 H CB -0.843 29.039 29.762 0.201 0.000 1.365 404 H HN 0.911 nan 8.280 nan 0.000 0.594 405 Y N -1.446 118.716 120.300 -0.229 0.000 2.458 405 Y HA 0.520 5.098 4.550 0.046 0.000 0.256 405 Y C 1.537 177.372 175.900 -0.108 0.000 1.159 405 Y CA -0.418 57.543 58.100 -0.233 0.000 1.261 405 Y CB 0.319 38.557 38.460 -0.369 0.000 1.119 405 Y HN 0.207 nan 8.280 nan 0.000 0.524 406 G N 0.737 109.420 108.800 -0.196 0.000 2.138 406 G HA2 -0.267 3.721 3.960 0.046 0.000 0.193 406 G HA3 -0.267 3.721 3.960 0.046 0.000 0.193 406 G C -0.288 174.566 174.900 -0.076 0.000 0.998 406 G CA -0.037 45.020 45.100 -0.072 0.000 0.668 406 G HN 0.551 nan 8.290 nan 0.000 0.516 407 Q N 0.726 120.402 119.800 -0.207 0.000 2.290 407 Q HA 0.520 4.887 4.340 0.046 0.000 0.259 407 Q C 0.195 176.175 176.000 -0.034 0.000 0.941 407 Q CA -0.628 55.137 55.803 -0.063 0.000 0.912 407 Q CB 0.685 29.452 28.738 0.049 0.000 1.244 407 Q HN 0.472 nan 8.270 nan 0.000 0.441 408 E N 2.159 122.374 120.200 0.024 0.000 2.415 408 E HA 0.033 4.410 4.350 0.046 0.000 0.263 408 E C -0.817 175.806 176.600 0.039 0.000 0.995 408 E CA 0.019 56.436 56.400 0.029 0.000 0.915 408 E CB 1.019 30.743 29.700 0.041 0.000 0.951 408 E HN 0.364 nan 8.360 nan 0.000 0.449 409 V N 3.272 123.161 119.914 -0.041 0.000 2.288 409 V HA 0.194 4.341 4.120 0.046 0.000 0.266 409 V C 0.596 176.683 176.094 -0.012 0.000 1.048 409 V CA 0.052 62.293 62.300 -0.099 0.000 0.842 409 V CB 0.748 32.287 31.823 -0.474 0.000 1.064 409 V HN 0.783 nan 8.190 nan 0.000 0.472 410 A N 3.594 126.459 122.820 0.075 0.000 2.465 410 A HA 0.309 4.656 4.320 0.046 0.000 0.255 410 A C 0.761 178.397 177.584 0.088 0.000 1.274 410 A CA 0.153 52.231 52.037 0.068 0.000 0.920 410 A CB -0.107 18.936 19.000 0.072 0.000 1.033 410 A HN 0.791 nan 8.150 nan 0.000 0.516 411 D N -1.947 118.529 120.400 0.128 0.000 2.760 411 D HA 0.132 4.800 4.640 0.046 0.000 0.314 411 D C -0.400 175.899 176.300 -0.001 0.000 1.464 411 D CA -0.381 53.698 54.000 0.133 0.000 0.797 411 D CB -1.308 39.647 40.800 0.258 0.000 1.149 411 D HN 0.019 nan 8.370 nan 0.000 0.455 412 C N 1.604 120.815 119.300 -0.148 0.000 2.442 412 C HA 0.420 4.908 4.460 0.046 0.000 0.362 412 C C 1.616 176.287 174.990 -0.530 0.000 1.242 412 C CA -0.316 58.382 59.018 -0.535 0.000 1.741 412 C CB -0.643 26.943 27.740 -0.256 0.000 2.378 412 C HN 0.424 nan 8.230 nan 0.000 0.549 413 V N 5.369 124.785 119.914 -0.831 0.000 3.528 413 V HA 0.167 4.314 4.120 0.046 0.000 0.294 413 V C 1.656 177.357 176.094 -0.656 0.000 1.404 413 V CA 0.545 62.515 62.300 -0.550 0.000 1.065 413 V CB -0.892 30.638 31.823 -0.488 0.000 0.904 413 V HN 0.865 nan 8.190 nan 0.000 0.435 414 L N 1.741 122.483 121.223 -0.802 0.000 2.034 414 L HA -0.163 4.205 4.340 0.046 0.000 0.217 414 L C 2.793 179.346 176.870 -0.527 0.000 1.077 414 L CA 2.355 56.711 54.840 -0.807 0.000 0.769 414 L CB -1.135 40.208 42.059 -1.193 0.000 0.890 414 L HN 0.537 nan 8.230 nan 0.000 0.435 415 G N -0.800 107.858 108.800 -0.236 0.000 2.545 415 G HA2 -0.336 3.651 3.960 0.046 0.000 0.217 415 G HA3 -0.336 3.651 3.960 0.046 0.000 0.217 415 G C 1.425 176.325 174.900 0.001 0.000 1.218 415 G CA 1.012 46.155 45.100 0.072 0.000 0.787 415 G HN 0.419 nan 8.290 nan 0.000 0.571 416 E N -0.292 119.876 120.200 -0.053 0.000 2.058 416 E HA -0.108 4.270 4.350 0.046 0.000 0.194 416 E C 2.531 179.104 176.600 -0.045 0.000 0.997 416 E CA 0.934 57.343 56.400 0.016 0.000 0.801 416 E CB -0.207 29.564 29.700 0.119 0.000 0.746 416 E HN 0.401 nan 8.360 nan 0.000 0.450 417 L N 0.304 121.333 121.223 -0.324 0.000 2.012 417 L HA -0.198 4.169 4.340 0.046 0.000 0.210 417 L C 2.375 179.144 176.870 -0.168 0.000 1.073 417 L CA 1.083 55.665 54.840 -0.430 0.000 0.748 417 L CB -0.151 41.406 42.059 -0.838 0.000 0.891 417 L HN 0.029 nan 8.230 nan 0.000 0.431 418 V N -0.475 119.355 119.914 -0.141 0.000 2.343 418 V HA -0.305 3.842 4.120 0.046 0.000 0.247 418 V C 2.524 178.633 176.094 0.025 0.000 1.051 418 V CA 2.285 64.569 62.300 -0.027 0.000 1.036 418 V CB -0.772 31.125 31.823 0.123 0.000 0.654 418 V HN 0.559 nan 8.190 nan 0.000 0.451 419 T N -0.359 114.229 114.554 0.056 0.000 2.652 419 T HA -0.280 4.098 4.350 0.046 0.000 0.267 419 T C 2.045 176.789 174.700 0.074 0.000 1.039 419 T CA 2.013 64.161 62.100 0.079 0.000 1.153 419 T CB -0.306 68.614 68.868 0.087 0.000 0.863 419 T HN 0.411 nan 8.240 nan 0.000 0.428 420 R N 0.363 120.912 120.500 0.082 0.000 2.120 420 R HA -0.050 4.317 4.340 0.046 0.000 0.234 420 R C 2.362 178.707 176.300 0.074 0.000 1.123 420 R CA 1.048 57.210 56.100 0.104 0.000 0.975 420 R CB -0.377 30.032 30.300 0.183 0.000 0.866 420 R HN 0.300 nan 8.270 nan 0.000 0.446 421 L N 1.029 122.275 121.223 0.039 0.000 2.109 421 L HA -0.088 4.280 4.340 0.046 0.000 0.207 421 L C 2.021 178.886 176.870 -0.007 0.000 1.086 421 L CA 1.661 56.506 54.840 0.009 0.000 0.760 421 L CB -0.331 41.709 42.059 -0.032 0.000 0.910 421 L HN 0.192 nan 8.230 nan 0.000 0.437 422 Q N -0.616 119.180 119.800 -0.007 0.000 2.084 422 Q HA -0.197 4.170 4.340 0.046 0.000 0.202 422 Q C 1.981 178.050 176.000 0.116 0.000 0.978 422 Q CA 1.668 57.491 55.803 0.034 0.000 0.844 422 Q CB -0.019 28.781 28.738 0.104 0.000 0.898 422 Q HN 0.446 nan 8.270 nan 0.000 0.426 423 K N 0.241 120.697 120.400 0.093 0.000 2.001 423 K HA -0.101 4.246 4.320 0.046 0.000 0.208 423 K C 2.256 178.901 176.600 0.075 0.000 1.048 423 K CA 1.678 58.018 56.287 0.088 0.000 0.932 423 K CB -0.930 31.614 32.500 0.074 0.000 0.715 423 K HN 0.214 nan 8.250 nan 0.000 0.437 424 S N 1.181 116.918 115.700 0.062 0.000 2.419 424 S HA -0.036 4.461 4.470 0.046 0.000 0.233 424 S C 2.160 176.791 174.600 0.051 0.000 1.016 424 S CA 1.042 59.273 58.200 0.052 0.000 0.974 424 S CB -0.177 63.052 63.200 0.049 0.000 0.786 424 S HN 0.307 nan 8.310 nan 0.000 0.492 425 A N 1.121 123.975 122.820 0.057 0.000 2.123 425 A HA 0.283 4.631 4.320 0.046 0.000 0.214 425 A C 1.088 178.738 177.584 0.110 0.000 1.152 425 A CA 0.581 52.656 52.037 0.064 0.000 0.728 425 A CB -0.926 18.090 19.000 0.026 0.000 0.814 425 A HN 0.742 nan 8.150 nan 0.000 0.464 426 N N -3.357 115.417 118.700 0.124 0.000 2.816 426 N HA -0.205 4.562 4.740 0.046 0.000 0.247 426 N C 0.201 175.820 175.510 0.182 0.000 1.100 426 N CA 0.649 53.770 53.050 0.119 0.000 0.687 426 N CB -1.571 36.962 38.487 0.077 0.000 1.003 426 N HN 0.382 nan 8.380 nan 0.000 0.554 427 F N 0.489 120.451 119.950 0.019 0.000 2.010 427 F HA -0.171 4.384 4.527 0.046 0.000 0.296 427 F C 2.457 178.266 175.800 0.015 0.000 1.146 427 F CA 2.305 60.317 58.000 0.019 0.000 1.181 427 F CB -1.054 37.964 39.000 0.030 0.000 0.965 427 F HN 0.213 nan 8.300 nan 0.000 0.480 428 T N -0.331 114.188 114.554 -0.059 0.000 2.597 428 T HA -0.262 4.115 4.350 0.046 0.000 0.267 428 T C 1.957 176.583 174.700 -0.124 0.000 1.053 428 T CA 2.586 64.586 62.100 -0.167 0.000 1.165 428 T CB -0.875 67.970 68.868 -0.039 0.000 0.863 428 T HN 0.320 nan 8.240 nan 0.000 0.427 429 T N 1.630 116.159 114.554 -0.042 0.000 2.635 429 T HA -0.137 4.240 4.350 0.046 0.000 0.267 429 T C 2.164 176.835 174.700 -0.048 0.000 1.040 429 T CA 1.240 63.321 62.100 -0.031 0.000 1.156 429 T CB -0.243 68.625 68.868 0.001 0.000 0.863 429 T HN 0.324 nan 8.240 nan 0.000 0.430 430 R N 0.297 120.774 120.500 -0.039 0.000 2.105 430 R HA -0.049 4.319 4.340 0.046 0.000 0.239 430 R C 2.670 178.917 176.300 -0.088 0.000 1.135 430 R CA 1.272 57.348 56.100 -0.040 0.000 0.967 430 R CB -0.271 30.037 30.300 0.013 0.000 0.861 430 R HN 0.292 nan 8.270 nan 0.000 0.442 431 R N 0.303 120.694 120.500 -0.182 0.000 2.105 431 R HA -0.139 4.229 4.340 0.046 0.000 0.239 431 R C 2.170 178.402 176.300 -0.113 0.000 1.135 431 R CA 1.619 57.594 56.100 -0.208 0.000 0.967 431 R CB -0.177 29.894 30.300 -0.381 0.000 0.861 431 R HN 0.232 nan 8.270 nan 0.000 0.442 432 A N 0.565 123.330 122.820 -0.091 0.000 1.854 432 A HA -0.156 4.191 4.320 0.046 0.000 0.214 432 A C 1.879 179.456 177.584 -0.012 0.000 1.192 432 A CA 1.457 53.467 52.037 -0.046 0.000 0.611 432 A CB -0.492 18.485 19.000 -0.038 0.000 0.832 432 A HN 0.416 nan 8.150 nan 0.000 0.442 433 E N -0.325 119.868 120.200 -0.011 0.000 2.147 433 E HA -0.221 4.156 4.350 0.046 0.000 0.199 433 E C 1.793 178.423 176.600 0.049 0.000 1.005 433 E CA 1.473 57.885 56.400 0.020 0.000 0.810 433 E CB -0.327 29.372 29.700 -0.001 0.000 0.736 433 E HN 0.711 nan 8.360 nan 0.000 0.460 434 I N 0.424 120.997 120.570 0.006 0.000 2.353 434 I HA -0.229 3.969 4.170 0.046 0.000 0.248 434 I C 2.471 178.648 176.117 0.099 0.000 1.119 434 I CA 0.692 62.010 61.300 0.030 0.000 1.417 434 I CB -0.250 37.730 38.000 -0.034 0.000 1.078 434 I HN 0.107 nan 8.210 nan 0.000 0.421 435 A N 0.984 123.831 122.820 0.045 0.000 1.865 435 A HA -0.221 4.126 4.320 0.046 0.000 0.217 435 A C 2.560 180.187 177.584 0.071 0.000 1.191 435 A CA 2.038 54.100 52.037 0.042 0.000 0.623 435 A CB -1.002 18.001 19.000 0.004 0.000 0.826 435 A HN 0.415 nan 8.150 nan 0.000 0.444 436 A N -1.404 121.460 122.820 0.073 0.000 1.859 436 A HA -0.269 4.079 4.320 0.046 0.000 0.218 436 A C 2.036 179.687 177.584 0.112 0.000 1.209 436 A CA 1.859 53.940 52.037 0.073 0.000 0.639 436 A CB -1.393 17.651 19.000 0.072 0.000 0.835 436 A HN 0.883 nan 8.150 nan 0.000 0.450 437 W N 1.203 122.487 121.300 -0.026 0.000 2.308 437 W HA -0.267 4.420 4.660 0.046 0.000 0.301 437 W C 1.999 178.501 176.519 -0.027 0.000 1.220 437 W CA 2.239 59.569 57.345 -0.024 0.000 1.240 437 W CB -0.168 29.279 29.460 -0.022 0.000 1.142 437 W HN 0.410 nan 8.180 nan 0.000 0.521 438 N N -0.129 118.728 118.700 0.261 0.000 2.142 438 N HA -0.184 4.584 4.740 0.046 0.000 0.186 438 N C 1.973 177.457 175.510 -0.045 0.000 1.023 438 N CA 2.218 55.343 53.050 0.126 0.000 0.852 438 N CB -1.151 37.413 38.487 0.129 0.000 0.998 438 N HN 0.292 nan 8.380 nan 0.000 0.424 439 S N -0.639 115.043 115.700 -0.031 0.000 2.419 439 S HA -0.060 4.437 4.470 0.046 0.000 0.233 439 S C 1.708 176.243 174.600 -0.109 0.000 1.016 439 S CA 1.212 59.377 58.200 -0.058 0.000 0.974 439 S CB -0.676 62.503 63.200 -0.035 0.000 0.786 439 S HN 0.185 nan 8.310 nan 0.000 0.492 440 T N 1.664 116.117 114.554 -0.167 0.000 3.148 440 T HA 0.237 4.615 4.350 0.046 0.000 0.253 440 T C 0.139 174.654 174.700 -0.308 0.000 1.134 440 T CA 0.153 62.118 62.100 -0.225 0.000 1.051 440 T CB -0.419 68.292 68.868 -0.261 0.000 0.959 440 T HN 0.478 nan 8.240 nan 0.000 0.525 441 N N 0.416 118.912 118.700 -0.339 0.000 2.272 441 N HA 0.438 5.206 4.740 0.046 0.000 0.305 441 N C 0.877 176.268 175.510 -0.199 0.000 1.103 441 N CA -0.848 51.986 53.050 -0.359 0.000 0.791 441 N CB 1.635 39.760 38.487 -0.603 0.000 1.356 441 N HN 0.092 nan 8.380 nan 0.000 0.486 442 R N -0.383 120.026 120.500 -0.151 0.000 2.453 442 R HA 0.253 4.620 4.340 0.046 0.000 0.233 442 R C 0.020 176.280 176.300 -0.066 0.000 0.895 442 R CA 0.179 56.224 56.100 -0.092 0.000 1.028 442 R CB 0.170 30.424 30.300 -0.077 0.000 1.255 442 R HN 0.361 nan 8.270 nan 0.000 0.571 443 T N 0.993 115.505 114.554 -0.069 0.000 3.015 443 T HA 0.377 4.755 4.350 0.046 0.000 0.250 443 T C 0.409 175.105 174.700 -0.006 0.000 1.057 443 T CA 0.282 62.361 62.100 -0.035 0.000 1.066 443 T CB 0.185 69.034 68.868 -0.032 0.000 0.959 443 T HN 0.016 nan 8.240 nan 0.000 0.488 444 L N 0.326 121.553 121.223 0.008 0.000 2.301 444 L HA 0.875 5.242 4.340 0.046 0.000 0.264 444 L C -0.950 176.014 176.870 0.156 0.000 1.016 444 L CA -1.379 53.523 54.840 0.103 0.000 0.821 444 L CB 1.981 44.180 42.059 0.233 0.000 1.346 444 L HN -0.042 nan 8.230 nan 0.000 0.429 445 A N 1.215 124.166 122.820 0.218 0.000 2.488 445 A HA 0.637 4.984 4.320 0.046 0.000 0.295 445 A C -1.087 176.597 177.584 0.166 0.000 1.045 445 A CA -0.688 51.490 52.037 0.235 0.000 0.703 445 A CB 1.570 20.619 19.000 0.082 0.000 1.271 445 A HN 0.703 nan 8.150 nan 0.000 0.400 446 R N 0.409 121.009 120.500 0.166 0.000 2.543 446 R HA 0.720 5.088 4.340 0.046 0.000 0.268 446 R C 0.237 176.519 176.300 -0.029 0.000 1.067 446 R CA -0.010 56.060 56.100 -0.051 0.000 1.142 446 R CB 1.784 31.918 30.300 -0.277 0.000 1.110 446 R HN 0.982 nan 8.270 nan 0.000 0.549 447 G N 0.658 109.424 108.800 -0.057 0.000 2.720 447 G HA2 0.604 4.591 3.960 0.046 0.000 0.295 447 G HA3 0.604 4.591 3.960 0.046 0.000 0.295 447 G C -1.653 173.238 174.900 -0.015 0.000 1.437 447 G CA -0.447 44.631 45.100 -0.037 0.000 0.886 447 G HN 0.484 nan 8.290 nan 0.000 0.509 448 I N 0.155 120.742 120.570 0.028 0.000 2.841 448 I HA 0.750 4.947 4.170 0.046 0.000 0.298 448 I C -0.942 175.272 176.117 0.161 0.000 1.304 448 I CA -0.947 60.409 61.300 0.093 0.000 1.019 448 I CB 2.228 40.299 38.000 0.118 0.000 1.282 448 I HN 0.992 nan 8.210 nan 0.000 0.432 449 A N 5.823 128.753 122.820 0.183 0.000 2.606 449 A HA 0.752 5.099 4.320 0.046 0.000 0.293 449 A C -2.228 175.435 177.584 0.131 0.000 1.082 449 A CA -0.520 51.635 52.037 0.196 0.000 0.685 449 A CB 1.956 21.039 19.000 0.138 0.000 1.284 449 A HN 0.663 nan 8.150 nan 0.000 0.408 450 L N 1.433 122.718 121.223 0.104 0.000 2.329 450 L HA 0.857 5.224 4.340 0.046 0.000 0.279 450 L C -0.077 176.839 176.870 0.076 0.000 1.014 450 L CA 0.254 55.076 54.840 -0.030 0.000 0.814 450 L CB 1.999 43.986 42.059 -0.120 0.000 1.257 450 L HN 1.096 nan 8.230 nan 0.000 0.424 451 S N 5.584 121.333 115.700 0.081 0.000 2.548 451 S HA 0.814 5.312 4.470 0.046 0.000 0.276 451 S C -3.067 171.614 174.600 0.135 0.000 1.129 451 S CA -1.051 57.234 58.200 0.141 0.000 0.931 451 S CB 2.192 65.478 63.200 0.143 0.000 1.068 451 S HN 0.572 nan 8.310 nan 0.000 0.480 452 P HA 0.734 nan 4.420 nan 0.000 0.289 452 P C -1.241 176.112 177.300 0.089 0.000 1.300 452 P CA -0.845 62.314 63.100 0.097 0.000 0.828 452 P CB 1.463 33.233 31.700 0.118 0.000 1.235 453 V N -0.202 119.750 119.914 0.062 0.000 2.891 453 V HA 0.447 4.594 4.120 0.046 0.000 0.304 453 V C -0.567 175.575 176.094 0.079 0.000 1.171 453 V CA -0.519 61.841 62.300 0.100 0.000 0.943 453 V CB 2.207 34.115 31.823 0.142 0.000 1.037 453 V HN 0.706 nan 8.190 nan 0.000 0.427 454 K N 4.409 124.849 120.400 0.066 0.000 2.601 454 K HA 0.674 5.022 4.320 0.046 0.000 0.249 454 K C -2.238 174.438 176.600 0.128 0.000 0.966 454 K CA -0.424 55.808 56.287 -0.093 0.000 0.827 454 K CB 1.742 34.174 32.500 -0.113 0.000 1.178 454 K HN 0.507 nan 8.250 nan 0.000 0.437 455 F N 2.766 122.667 119.950 -0.082 0.000 2.539 455 F HA 0.575 5.129 4.527 0.045 0.000 0.318 455 F C 0.013 175.694 175.800 -0.198 0.000 1.135 455 F CA -0.429 57.577 58.000 0.009 0.000 0.915 455 F CB 1.896 40.843 39.000 -0.089 0.000 1.176 455 F HN 0.685 nan 8.300 nan 0.000 0.440 456 G N 5.957 114.316 108.800 -0.735 0.000 2.467 456 G HA2 0.477 4.464 3.960 0.046 0.000 0.257 456 G HA3 0.477 4.464 3.960 0.046 0.000 0.257 456 G C -0.974 173.179 174.900 -1.245 0.000 1.227 456 G CA -0.500 43.563 45.100 -1.728 0.000 0.835 456 G HN 0.498 nan 8.290 nan 0.000 0.556 457 I N 0.600 120.607 120.570 -0.938 0.000 2.404 457 I HA 0.614 4.812 4.170 0.046 0.000 0.293 457 I C 0.246 176.207 176.117 -0.260 0.000 0.992 457 I CA -0.255 60.721 61.300 -0.539 0.000 1.149 457 I CB 0.713 38.248 38.000 -0.774 0.000 1.315 457 I HN 0.595 nan 8.210 nan 0.000 0.446 458 S N 3.825 119.421 115.700 -0.174 0.000 2.631 458 S HA 0.067 4.564 4.470 0.046 0.000 0.283 458 S C -0.809 173.731 174.600 -0.099 0.000 0.620 458 S CA -0.928 57.220 58.200 -0.085 0.000 1.350 458 S CB -0.227 62.978 63.200 0.008 0.000 1.626 458 S HN 0.330 nan 8.310 nan 0.000 0.493 459 F N 2.085 121.993 119.950 -0.070 0.000 2.484 459 F HA 0.261 4.815 4.527 0.045 0.000 0.360 459 F C 2.254 178.020 175.800 -0.055 0.000 1.101 459 F CA 0.644 58.595 58.000 -0.083 0.000 1.251 459 F CB 0.801 39.726 39.000 -0.124 0.000 1.132 459 F HN 0.808 nan 8.300 nan 0.000 0.570 460 T N 0.056 114.710 114.554 0.167 0.000 3.055 460 T HA -0.001 4.377 4.350 0.046 0.000 0.265 460 T C 0.806 175.708 174.700 0.336 0.000 1.111 460 T CA 0.202 62.368 62.100 0.111 0.000 1.118 460 T CB -0.011 68.918 68.868 0.101 0.000 0.909 460 T HN 0.220 nan 8.240 nan 0.000 0.501 461 L N 3.750 125.121 121.223 0.246 0.000 2.462 461 L HA 0.309 4.677 4.340 0.046 0.000 0.283 461 L C 1.297 178.170 176.870 0.004 0.000 1.166 461 L CA 0.325 55.242 54.840 0.127 0.000 0.964 461 L CB -0.816 41.241 42.059 -0.004 0.000 1.294 461 L HN 0.305 nan 8.230 nan 0.000 0.449 462 T N 2.243 116.874 114.554 0.129 0.000 2.649 462 T HA -0.271 4.107 4.350 0.046 0.000 0.268 462 T C 1.634 176.337 174.700 0.004 0.000 1.036 462 T CA 2.263 64.417 62.100 0.090 0.000 1.157 462 T CB -0.405 68.554 68.868 0.152 0.000 0.861 462 T HN 0.721 nan 8.240 nan 0.000 0.445 463 H N 1.302 120.382 119.070 0.018 0.000 2.568 463 H HA 0.089 4.673 4.556 0.045 0.000 0.281 463 H C 1.730 177.019 175.328 -0.064 0.000 1.028 463 H CA 0.565 56.609 56.048 -0.007 0.000 1.199 463 H CB -0.753 29.011 29.762 0.003 0.000 1.352 463 H HN 0.372 nan 8.280 nan 0.000 0.605 464 L N 0.679 121.593 121.223 -0.515 0.000 2.599 464 L HA 0.009 4.377 4.340 0.046 0.000 0.230 464 L C 0.617 177.275 176.870 -0.353 0.000 1.141 464 L CA 0.074 54.569 54.840 -0.574 0.000 0.877 464 L CB -0.225 41.157 42.059 -1.129 0.000 1.009 464 L HN 0.151 nan 8.230 nan 0.000 0.447 465 N N 2.569 121.200 118.700 -0.115 0.000 3.259 465 N HA 0.058 4.826 4.740 0.046 0.000 0.308 465 N C -0.332 175.142 175.510 -0.060 0.000 1.334 465 N CA 0.150 53.210 53.050 0.017 0.000 1.202 465 N CB 0.275 38.803 38.487 0.068 0.000 1.485 465 N HN 0.558 nan 8.380 nan 0.000 0.549 466 Q N -0.828 118.918 119.800 -0.091 0.000 2.456 466 Q HA 0.865 5.233 4.340 0.046 0.000 0.283 466 Q C -1.599 174.283 176.000 -0.197 0.000 1.084 466 Q CA -1.285 54.385 55.803 -0.221 0.000 0.801 466 Q CB 2.399 31.107 28.738 -0.051 0.000 1.434 466 Q HN 0.062 nan 8.270 nan 0.000 0.419 467 A N 0.305 122.896 122.820 -0.381 0.000 2.589 467 A HA 0.878 5.226 4.320 0.046 0.000 0.296 467 A C -1.020 176.462 177.584 -0.170 0.000 1.062 467 A CA -0.128 51.822 52.037 -0.145 0.000 0.686 467 A CB 1.845 20.820 19.000 -0.042 0.000 1.282 467 A HN 0.945 nan 8.150 nan 0.000 0.404 468 G N -0.735 108.100 108.800 0.059 0.000 2.569 468 G HA2 0.969 4.956 3.960 0.046 0.000 0.300 468 G HA3 0.969 4.956 3.960 0.046 0.000 0.300 468 G C -0.562 174.423 174.900 0.141 0.000 1.269 468 G CA -0.019 45.187 45.100 0.175 0.000 0.959 468 G HN 2.086 nan 8.290 nan 0.000 0.478 469 A N -0.648 122.256 122.820 0.140 0.000 2.609 469 A HA 0.823 5.171 4.320 0.046 0.000 0.291 469 A C -1.997 175.638 177.584 0.086 0.000 1.096 469 A CA -0.589 51.519 52.037 0.118 0.000 0.684 469 A CB 1.997 21.066 19.000 0.115 0.000 1.282 469 A HN 1.835 nan 8.150 nan 0.000 0.412 470 L N 0.625 121.885 121.223 0.061 0.000 2.464 470 L HA 0.810 5.177 4.340 0.046 0.000 0.266 470 L C -1.628 175.251 176.870 0.014 0.000 0.965 470 L CA -0.338 54.522 54.840 0.032 0.000 0.833 470 L CB 2.076 44.149 42.059 0.023 0.000 1.296 470 L HN 0.610 nan 8.230 nan 0.000 0.405 471 V N 4.094 124.004 119.914 -0.006 0.000 2.823 471 V HA 0.695 4.842 4.120 0.046 0.000 0.312 471 V C -0.988 175.060 176.094 -0.078 0.000 1.072 471 V CA -0.579 61.703 62.300 -0.030 0.000 0.937 471 V CB 2.053 33.864 31.823 -0.019 0.000 1.013 471 V HN 0.784 nan 8.190 nan 0.000 0.430 472 Q N 3.927 123.646 119.800 -0.136 0.000 2.331 472 Q HA 0.636 5.003 4.340 0.046 0.000 0.272 472 Q C -1.373 174.408 176.000 -0.364 0.000 1.062 472 Q CA -0.503 55.133 55.803 -0.279 0.000 0.806 472 Q CB 3.123 31.607 28.738 -0.423 0.000 1.312 472 Q HN 0.665 nan 8.270 nan 0.000 0.431 473 I N 2.176 122.542 120.570 -0.340 0.000 2.378 473 I HA 0.377 4.574 4.170 0.046 0.000 0.291 473 I C -0.516 175.356 176.117 -0.409 0.000 0.992 473 I CA -0.898 60.244 61.300 -0.264 0.000 1.154 473 I CB 0.774 38.722 38.000 -0.086 0.000 1.315 473 I HN 0.504 nan 8.210 nan 0.000 0.448 474 Y N 2.313 122.593 120.300 -0.033 0.000 2.408 474 Y HA 0.117 4.694 4.550 0.045 0.000 0.324 474 Y C 1.987 177.814 175.900 -0.121 0.000 1.302 474 Y CA -0.428 57.622 58.100 -0.084 0.000 1.384 474 Y CB 0.947 39.366 38.460 -0.069 0.000 1.367 474 Y HN 0.635 nan 8.280 nan 0.000 0.525 475 T N -3.572 110.976 114.554 -0.011 0.000 3.072 475 T HA -0.127 4.251 4.350 0.046 0.000 0.266 475 T C 0.744 175.408 174.700 -0.059 0.000 1.127 475 T CA 1.015 63.031 62.100 -0.140 0.000 1.107 475 T CB -0.356 68.305 68.868 -0.344 0.000 0.910 475 T HN 0.711 nan 8.240 nan 0.000 0.513 476 D N 0.756 121.159 120.400 0.004 0.000 2.328 476 D HA 0.216 4.883 4.640 0.046 0.000 0.226 476 D C 1.662 178.000 176.300 0.064 0.000 1.066 476 D CA 0.471 54.484 54.000 0.022 0.000 0.861 476 D CB -0.724 40.090 40.800 0.023 0.000 0.912 476 D HN 0.553 nan 8.370 nan 0.000 0.521 477 G N 0.345 109.187 108.800 0.070 0.000 2.199 477 G HA2 -0.308 3.680 3.960 0.046 0.000 0.254 477 G HA3 -0.308 3.680 3.960 0.046 0.000 0.254 477 G C 0.467 175.504 174.900 0.228 0.000 0.982 477 G CA 0.487 45.675 45.100 0.146 0.000 0.632 477 G HN 0.804 nan 8.290 nan 0.000 0.529 478 S N -0.795 115.016 115.700 0.184 0.000 2.603 478 S HA 0.723 5.221 4.470 0.046 0.000 0.268 478 S C 0.043 174.759 174.600 0.194 0.000 1.317 478 S CA -0.051 58.255 58.200 0.178 0.000 1.012 478 S CB 2.570 65.858 63.200 0.147 0.000 0.926 478 S HN 1.098 nan 8.310 nan 0.000 0.539 479 V N 0.773 120.769 119.914 0.136 0.000 2.735 479 V HA 0.782 4.929 4.120 0.046 0.000 0.310 479 V C -0.042 176.094 176.094 0.071 0.000 1.061 479 V CA -0.696 61.648 62.300 0.074 0.000 0.913 479 V CB 1.617 33.466 31.823 0.045 0.000 1.005 479 V HN 1.224 nan 8.190 nan 0.000 0.428 480 A N 4.413 127.255 122.820 0.036 0.000 2.304 480 A HA 0.852 5.200 4.320 0.046 0.000 0.314 480 A C -1.125 176.460 177.584 0.001 0.000 1.187 480 A CA -0.424 51.645 52.037 0.052 0.000 0.810 480 A CB 1.113 20.188 19.000 0.125 0.000 1.183 480 A HN 0.880 nan 8.150 nan 0.000 0.487 481 L N 2.616 123.839 121.223 0.001 0.000 2.325 481 L HA 0.691 5.058 4.340 0.046 0.000 0.278 481 L C -0.556 176.319 176.870 0.008 0.000 1.023 481 L CA -0.320 54.528 54.840 0.013 0.000 0.811 481 L CB 1.574 43.649 42.059 0.027 0.000 1.249 481 L HN 0.725 nan 8.230 nan 0.000 0.431 482 N N 1.969 120.687 118.700 0.030 0.000 2.369 482 N HA 0.414 5.181 4.740 0.046 0.000 0.287 482 N C -1.699 173.835 175.510 0.041 0.000 1.067 482 N CA -0.310 52.725 53.050 -0.026 0.000 0.888 482 N CB 1.431 39.893 38.487 -0.041 0.000 1.616 482 N HN 1.006 nan 8.380 nan 0.000 0.482 483 H N -0.553 118.533 119.070 0.027 0.000 2.960 483 H HA 0.529 5.115 4.556 0.050 0.000 0.338 483 H C 0.740 176.104 175.328 0.060 0.000 1.261 483 H CA -0.720 55.355 56.048 0.045 0.000 1.136 483 H CB 0.753 30.543 29.762 0.047 0.000 1.875 483 H HN 0.383 nan 8.280 nan 0.000 0.550 484 G N -0.627 108.264 108.800 0.152 0.000 2.813 484 G HA2 0.259 4.246 3.960 0.046 0.000 0.209 484 G HA3 0.259 4.246 3.960 0.046 0.000 0.209 484 G C 0.607 175.577 174.900 0.117 0.000 1.150 484 G CA 0.121 45.274 45.100 0.088 0.000 0.785 484 G HN 0.856 nan 8.290 nan 0.000 0.535 485 G N -0.145 108.837 108.800 0.305 0.000 2.562 485 G HA2 0.475 4.463 3.960 0.046 0.000 0.275 485 G HA3 0.475 4.463 3.960 0.046 0.000 0.275 485 G C -0.155 174.801 174.900 0.094 0.000 1.196 485 G CA 0.097 45.318 45.100 0.202 0.000 0.908 485 G HN 0.294 nan 8.290 nan 0.000 0.524 486 T N -1.649 112.911 114.554 0.009 0.000 2.856 486 T HA 0.534 4.912 4.350 0.046 0.000 0.283 486 T C -0.510 174.100 174.700 -0.150 0.000 1.008 486 T CA -0.786 61.283 62.100 -0.052 0.000 0.997 486 T CB 2.273 71.118 68.868 -0.038 0.000 0.992 486 T HN 0.518 nan 8.240 nan 0.000 0.454 487 E N 2.824 122.885 120.200 -0.232 0.000 2.229 487 E HA 0.407 4.784 4.350 0.046 0.000 0.283 487 E C 0.414 176.965 176.600 -0.081 0.000 1.030 487 E CA -0.672 55.572 56.400 -0.261 0.000 0.836 487 E CB 0.699 30.204 29.700 -0.324 0.000 1.068 487 E HN 0.790 nan 8.360 nan 0.000 0.401 488 M N 2.561 122.116 119.600 -0.074 0.000 2.504 488 M HA 0.488 4.996 4.480 0.046 0.000 0.370 488 M C 0.698 176.973 176.300 -0.042 0.000 1.110 488 M CA 0.166 55.419 55.300 -0.079 0.000 0.938 488 M CB 0.805 33.292 32.600 -0.188 0.000 1.460 488 M HN 0.624 nan 8.290 nan 0.000 0.535 489 G N 1.746 110.597 108.800 0.085 0.000 2.296 489 G HA2 -0.232 3.755 3.960 0.046 0.000 0.188 489 G HA3 -0.232 3.755 3.960 0.046 0.000 0.188 489 G C 0.736 175.736 174.900 0.167 0.000 1.000 489 G CA 0.290 45.474 45.100 0.139 0.000 0.672 489 G HN 0.600 nan 8.290 nan 0.000 0.483 490 Q N 1.450 121.300 119.800 0.083 0.000 2.444 490 Q HA 0.348 4.716 4.340 0.046 0.000 0.206 490 Q C 1.540 177.581 176.000 0.068 0.000 0.948 490 Q CA 1.215 57.053 55.803 0.059 0.000 0.946 490 Q CB -0.106 28.625 28.738 -0.011 0.000 1.027 490 Q HN 1.834 nan 8.270 nan 0.000 0.513 491 G N 1.587 110.443 108.800 0.094 0.000 2.137 491 G HA2 -0.298 3.689 3.960 0.046 0.000 0.237 491 G HA3 -0.298 3.689 3.960 0.046 0.000 0.237 491 G C 0.378 175.215 174.900 -0.105 0.000 1.002 491 G CA 0.357 45.438 45.100 -0.032 0.000 0.702 491 G HN 0.383 nan 8.290 nan 0.000 0.515 492 L N 0.525 121.669 121.223 -0.131 0.000 1.994 492 L HA 0.037 4.404 4.340 0.046 0.000 0.208 492 L C 2.593 179.414 176.870 -0.081 0.000 1.071 492 L CA 2.946 57.705 54.840 -0.134 0.000 0.745 492 L CB -0.719 41.235 42.059 -0.175 0.000 0.892 492 L HN 0.403 nan 8.230 nan 0.000 0.431 493 H N -0.239 118.798 119.070 -0.056 0.000 2.390 493 H HA -0.074 4.509 4.556 0.045 0.000 0.298 493 H C 2.140 177.409 175.328 -0.098 0.000 1.106 493 H CA 1.400 57.432 56.048 -0.026 0.000 1.297 493 H CB -0.702 29.043 29.762 -0.030 0.000 1.375 493 H HN 0.505 nan 8.280 nan 0.000 0.509 494 A N 1.101 123.894 122.820 -0.044 0.000 1.930 494 A HA -0.146 4.201 4.320 0.046 0.000 0.217 494 A C 2.313 179.869 177.584 -0.047 0.000 1.175 494 A CA 1.425 53.422 52.037 -0.065 0.000 0.627 494 A CB -0.186 18.753 19.000 -0.100 0.000 0.815 494 A HN 0.369 nan 8.150 nan 0.000 0.443 495 K N -0.748 119.620 120.400 -0.053 0.000 2.097 495 K HA -0.020 4.328 4.320 0.046 0.000 0.205 495 K C 1.862 178.427 176.600 -0.058 0.000 1.050 495 K CA 1.341 57.596 56.287 -0.053 0.000 0.938 495 K CB -0.211 32.258 32.500 -0.053 0.000 0.718 495 K HN 0.342 nan 8.250 nan 0.000 0.442 496 M N 0.508 120.062 119.600 -0.075 0.000 2.319 496 M HA -0.071 4.436 4.480 0.046 0.000 0.265 496 M C 2.202 178.478 176.300 -0.039 0.000 1.068 496 M CA 1.039 56.282 55.300 -0.095 0.000 1.118 496 M CB -0.602 31.874 32.600 -0.207 0.000 1.395 496 M HN -0.073 nan 8.290 nan 0.000 0.435 497 V N 0.795 120.694 119.914 -0.024 0.000 2.343 497 V HA -0.285 3.863 4.120 0.046 0.000 0.247 497 V C 2.409 178.478 176.094 -0.041 0.000 1.051 497 V CA 1.718 64.002 62.300 -0.027 0.000 1.036 497 V CB -0.659 31.147 31.823 -0.029 0.000 0.654 497 V HN 0.523 nan 8.190 nan 0.000 0.451 498 Q N -0.880 118.890 119.800 -0.050 0.000 2.079 498 Q HA -0.152 4.216 4.340 0.046 0.000 0.200 498 Q C 2.318 178.276 176.000 -0.070 0.000 0.974 498 Q CA 1.660 57.420 55.803 -0.071 0.000 0.840 498 Q CB -0.285 28.404 28.738 -0.082 0.000 0.898 498 Q HN 0.532 nan 8.270 nan 0.000 0.430 499 V N 1.045 120.946 119.914 -0.023 0.000 2.295 499 V HA -0.292 3.855 4.120 0.046 0.000 0.246 499 V C 2.299 178.421 176.094 0.046 0.000 1.049 499 V CA 1.886 64.225 62.300 0.065 0.000 1.024 499 V CB -1.010 30.878 31.823 0.108 0.000 0.648 499 V HN 0.417 nan 8.190 nan 0.000 0.447 500 A N 0.015 122.837 122.820 0.003 0.000 1.883 500 A HA -0.179 4.169 4.320 0.046 0.000 0.217 500 A C 2.391 179.946 177.584 -0.049 0.000 1.186 500 A CA 2.326 54.354 52.037 -0.016 0.000 0.624 500 A CB -0.853 18.135 19.000 -0.020 0.000 0.822 500 A HN 0.602 nan 8.150 nan 0.000 0.444 501 A N -0.541 122.240 122.820 -0.066 0.000 1.969 501 A HA 0.246 4.593 4.320 0.046 0.000 0.218 501 A C 2.418 179.943 177.584 -0.098 0.000 1.169 501 A CA 1.826 53.805 52.037 -0.098 0.000 0.635 501 A CB -0.776 18.168 19.000 -0.093 0.000 0.810 501 A HN 1.004 nan 8.150 nan 0.000 0.445 502 A N -0.668 122.099 122.820 -0.089 0.000 1.929 502 A HA 0.075 4.422 4.320 0.046 0.000 0.216 502 A C 2.084 179.657 177.584 -0.019 0.000 1.176 502 A CA 1.582 53.560 52.037 -0.099 0.000 0.628 502 A CB -0.650 18.207 19.000 -0.238 0.000 0.816 502 A HN 0.362 nan 8.150 nan 0.000 0.444 503 V N -0.242 119.691 119.914 0.031 0.000 2.871 503 V HA -0.081 4.067 4.120 0.046 0.000 0.256 503 V C 2.108 178.165 176.094 -0.061 0.000 1.082 503 V CA 1.339 63.664 62.300 0.041 0.000 1.105 503 V CB -0.431 31.427 31.823 0.057 0.000 0.713 503 V HN 0.528 nan 8.190 nan 0.000 0.473 504 L N -0.019 121.138 121.223 -0.110 0.000 2.554 504 L HA 0.371 4.739 4.340 0.046 0.000 0.225 504 L C 1.621 178.376 176.870 -0.192 0.000 1.104 504 L CA 0.846 55.564 54.840 -0.203 0.000 0.866 504 L CB 0.010 41.938 42.059 -0.219 0.000 1.047 504 L HN 0.491 nan 8.230 nan 0.000 0.468 505 G N 1.583 110.320 108.800 -0.105 0.000 2.142 505 G HA2 -0.232 3.755 3.960 0.046 0.000 0.225 505 G HA3 -0.232 3.755 3.960 0.046 0.000 0.225 505 G C 0.075 174.905 174.900 -0.117 0.000 1.015 505 G CA 0.400 45.491 45.100 -0.015 0.000 0.716 505 G HN 0.402 nan 8.290 nan 0.000 0.508 506 I N -3.882 116.559 120.570 -0.215 0.000 3.239 506 I HA 0.771 4.968 4.170 0.046 0.000 0.314 506 I C -0.689 175.337 176.117 -0.151 0.000 1.126 506 I CA -1.435 59.713 61.300 -0.253 0.000 0.973 506 I CB 1.925 39.628 38.000 -0.495 0.000 1.252 506 I HN -0.069 nan 8.210 nan 0.000 0.463 507 D N 3.244 123.578 120.400 -0.109 0.000 2.389 507 D HA 0.219 4.887 4.640 0.046 0.000 0.247 507 D C -1.720 174.539 176.300 -0.068 0.000 1.128 507 D CA -1.899 52.060 54.000 -0.069 0.000 0.884 507 D CB 1.659 42.436 40.800 -0.039 0.000 1.194 507 D HN 0.306 nan 8.370 nan 0.000 0.441 508 P HA -0.153 nan 4.420 nan 0.000 0.217 508 P C 1.529 178.807 177.300 -0.036 0.000 1.148 508 P CA 0.513 63.583 63.100 -0.051 0.000 0.828 508 P CB 0.283 31.955 31.700 -0.046 0.000 0.783 509 V N 0.041 119.939 119.914 -0.027 0.000 2.913 509 V HA -0.176 3.972 4.120 0.046 0.000 0.260 509 V C 2.248 178.338 176.094 -0.006 0.000 1.098 509 V CA 1.537 63.828 62.300 -0.016 0.000 1.121 509 V CB -1.020 30.797 31.823 -0.010 0.000 0.714 509 V HN 0.201 nan 8.190 nan 0.000 0.487 510 Q N -0.540 119.255 119.800 -0.009 0.000 2.444 510 Q HA 0.125 4.493 4.340 0.046 0.000 0.206 510 Q C 0.306 176.314 176.000 0.014 0.000 0.948 510 Q CA 0.335 56.145 55.803 0.012 0.000 0.946 510 Q CB 0.548 29.289 28.738 0.006 0.000 1.027 510 Q HN 0.485 nan 8.270 nan 0.000 0.513 511 V N 1.606 121.516 119.914 -0.007 0.000 2.398 511 V HA 0.380 4.527 4.120 0.046 0.000 0.286 511 V C -0.164 175.925 176.094 -0.007 0.000 1.026 511 V CA -0.813 61.484 62.300 -0.006 0.000 0.868 511 V CB 1.783 33.592 31.823 -0.024 0.000 0.982 511 V HN 0.032 nan 8.190 nan 0.000 0.443 512 R N 3.859 124.360 120.500 0.002 0.000 2.562 512 R HA 0.668 5.035 4.340 0.046 0.000 0.298 512 R C -1.069 175.206 176.300 -0.042 0.000 0.961 512 R CA -0.529 55.561 56.100 -0.016 0.000 0.881 512 R CB 1.544 31.844 30.300 0.001 0.000 1.159 512 R HN 0.684 nan 8.270 nan 0.000 0.450 513 I N 3.100 123.614 120.570 -0.093 0.000 2.440 513 I HA 0.404 4.601 4.170 0.046 0.000 0.294 513 I C -0.465 175.538 176.117 -0.190 0.000 0.995 513 I CA 0.348 61.543 61.300 -0.175 0.000 1.306 513 I CB 1.561 39.363 38.000 -0.330 0.000 1.407 513 I HN 0.895 nan 8.210 nan 0.000 0.501 514 T N 4.237 118.674 114.554 -0.196 0.000 2.942 514 T HA 0.826 5.204 4.350 0.046 0.000 0.289 514 T C -0.075 174.519 174.700 -0.176 0.000 1.044 514 T CA -0.731 61.285 62.100 -0.140 0.000 1.023 514 T CB 1.289 70.112 68.868 -0.075 0.000 1.123 514 T HN 0.849 nan 8.240 nan 0.000 0.512 515 A N 1.751 124.508 122.820 -0.105 0.000 2.540 515 A HA 0.451 4.798 4.320 0.046 0.000 0.239 515 A C 0.855 178.391 177.584 -0.080 0.000 1.061 515 A CA -0.280 51.714 52.037 -0.071 0.000 0.758 515 A CB -0.780 18.205 19.000 -0.025 0.000 0.991 515 A HN 0.886 nan 8.150 nan 0.000 0.502 516 T N 2.382 116.901 114.554 -0.059 0.000 2.908 516 T HA 0.261 4.639 4.350 0.046 0.000 0.301 516 T C -0.178 174.487 174.700 -0.057 0.000 1.019 516 T CA 0.921 62.977 62.100 -0.073 0.000 1.152 516 T CB -0.019 68.827 68.868 -0.037 0.000 0.966 516 T HN 0.668 nan 8.240 nan 0.000 0.540 517 D N 1.958 122.324 120.400 -0.057 0.000 2.613 517 D HA 0.102 4.769 4.640 0.046 0.000 0.230 517 D C 1.200 177.477 176.300 -0.038 0.000 1.365 517 D CA -0.487 53.480 54.000 -0.055 0.000 0.976 517 D CB 1.199 41.967 40.800 -0.053 0.000 1.415 517 D HN 0.501 nan 8.370 nan 0.000 0.589 518 T N -0.020 114.509 114.554 -0.041 0.000 3.052 518 T HA -0.148 4.230 4.350 0.046 0.000 0.270 518 T C 1.378 176.073 174.700 -0.009 0.000 1.147 518 T CA 1.474 63.561 62.100 -0.022 0.000 1.089 518 T CB -0.204 68.641 68.868 -0.039 0.000 0.875 518 T HN 0.235 nan 8.240 nan 0.000 0.541 519 S N -0.727 114.961 115.700 -0.019 0.000 2.575 519 S HA 0.326 4.824 4.470 0.046 0.000 0.215 519 S C 1.556 176.156 174.600 -0.000 0.000 0.966 519 S CA -0.441 57.756 58.200 -0.006 0.000 0.911 519 S CB 0.062 63.252 63.200 -0.016 0.000 0.780 519 S HN 0.539 nan 8.310 nan 0.000 0.514 520 K N 0.342 120.740 120.400 -0.002 0.000 2.273 520 K HA 0.344 4.691 4.320 0.046 0.000 0.206 520 K C -0.511 176.101 176.600 0.019 0.000 1.072 520 K CA 0.420 56.708 56.287 0.003 0.000 0.953 520 K CB 0.758 33.252 32.500 -0.010 0.000 1.043 520 K HN 0.169 nan 8.250 nan 0.000 0.477 521 V N 4.315 124.243 119.914 0.023 0.000 2.407 521 V HA 0.323 4.471 4.120 0.046 0.000 0.291 521 V C -2.503 173.626 176.094 0.058 0.000 1.018 521 V CA -1.785 60.546 62.300 0.053 0.000 0.842 521 V CB 1.348 33.210 31.823 0.066 0.000 0.996 521 V HN 0.149 nan 8.190 nan 0.000 0.426 522 P HA 0.432 nan 4.420 nan 0.000 0.283 522 P C -0.418 176.943 177.300 0.101 0.000 1.271 522 P CA -0.472 62.672 63.100 0.073 0.000 0.841 522 P CB 0.899 32.638 31.700 0.066 0.000 1.122 523 N N -1.720 117.040 118.700 0.099 0.000 2.740 523 N HA -0.104 4.663 4.740 0.046 0.000 0.248 523 N C 0.164 175.750 175.510 0.127 0.000 1.062 523 N CA 1.235 54.357 53.050 0.121 0.000 0.704 523 N CB -2.367 36.196 38.487 0.126 0.000 0.968 523 N HN 0.686 nan 8.380 nan 0.000 0.547 524 T N -3.391 111.230 114.554 0.112 0.000 2.816 524 T HA 0.556 4.933 4.350 0.046 0.000 0.282 524 T C 0.776 175.529 174.700 0.089 0.000 0.993 524 T CA -0.483 61.674 62.100 0.096 0.000 0.994 524 T CB 1.708 70.627 68.868 0.086 0.000 1.025 524 T HN 0.085 nan 8.240 nan 0.000 0.529 525 S N 0.242 115.921 115.700 -0.035 0.000 2.687 525 S HA 0.673 5.170 4.470 0.046 0.000 0.283 525 S C 0.568 174.947 174.600 -0.369 0.000 1.170 525 S CA -0.696 57.356 58.200 -0.246 0.000 1.008 525 S CB 0.865 63.804 63.200 -0.435 0.000 1.026 525 S HN 1.108 nan 8.310 nan 0.000 0.541 526 A N 1.351 123.645 122.820 -0.878 0.000 2.507 526 A HA 0.324 4.671 4.320 0.046 0.000 0.235 526 A C 0.361 177.871 177.584 -0.123 0.000 1.070 526 A CA 0.051 51.704 52.037 -0.640 0.000 0.768 526 A CB -0.356 18.305 19.000 -0.566 0.000 1.011 526 A HN 0.659 nan 8.150 nan 0.000 0.502 527 T N 1.885 116.399 114.554 -0.065 0.000 2.738 527 T HA 0.553 4.930 4.350 0.046 0.000 0.294 527 T C 0.299 174.977 174.700 -0.037 0.000 0.914 527 T CA 0.913 63.005 62.100 -0.013 0.000 1.052 527 T CB -0.082 68.767 68.868 -0.032 0.000 0.897 527 T HN 1.468 nan 8.240 nan 0.000 0.522 528 A N 2.518 125.317 122.820 -0.034 0.000 2.438 528 A HA 0.805 5.153 4.320 0.046 0.000 0.301 528 A C 0.353 177.632 177.584 -0.508 0.000 1.101 528 A CA -0.256 51.660 52.037 -0.202 0.000 0.621 528 A CB -0.200 18.698 19.000 -0.169 0.000 1.350 528 A HN 1.699 nan 8.150 nan 0.000 0.496 529 A N -0.771 121.686 122.820 -0.605 0.000 2.860 529 A HA 0.140 4.487 4.320 0.046 0.000 0.267 529 A C 1.172 178.514 177.584 -0.403 0.000 1.421 529 A CA 1.763 53.380 52.037 -0.700 0.000 0.831 529 A CB -2.658 15.462 19.000 -1.467 0.000 1.041 529 A HN 2.626 nan 8.150 nan 0.000 0.623 530 S N -2.802 112.740 115.700 -0.263 0.000 3.533 530 S HA -0.275 4.222 4.470 0.046 0.000 0.347 530 S C 0.859 175.372 174.600 -0.145 0.000 1.101 530 S CA 1.662 59.766 58.200 -0.160 0.000 1.009 530 S CB -2.590 60.541 63.200 -0.116 0.000 0.916 530 S HN 2.497 nan 8.310 nan 0.000 0.496 531 S N -0.883 114.703 115.700 -0.191 0.000 2.539 531 S HA 0.468 4.966 4.470 0.046 0.000 0.221 531 S C 1.859 176.449 174.600 -0.015 0.000 0.987 531 S CA 0.297 58.444 58.200 -0.089 0.000 0.929 531 S CB 0.282 63.426 63.200 -0.094 0.000 0.832 531 S HN 0.786 nan 8.310 nan 0.000 0.492 532 G N 2.539 111.318 108.800 -0.035 0.000 2.545 532 G HA2 -0.102 3.885 3.960 0.046 0.000 0.217 532 G HA3 -0.102 3.885 3.960 0.046 0.000 0.217 532 G C 1.589 176.461 174.900 -0.047 0.000 1.218 532 G CA 0.946 46.033 45.100 -0.023 0.000 0.787 532 G HN 0.763 nan 8.290 nan 0.000 0.571 533 A N 0.210 122.995 122.820 -0.059 0.000 1.970 533 A HA 0.086 4.433 4.320 0.046 0.000 0.216 533 A C 2.084 179.622 177.584 -0.077 0.000 1.170 533 A CA 1.945 53.935 52.037 -0.078 0.000 0.645 533 A CB -0.242 18.722 19.000 -0.059 0.000 0.816 533 A HN 0.286 nan 8.150 nan 0.000 0.447 534 D N -0.205 120.170 120.400 -0.042 0.000 2.084 534 D HA -0.103 4.565 4.640 0.046 0.000 0.196 534 D C 2.083 178.305 176.300 -0.130 0.000 0.985 534 D CA 1.505 55.474 54.000 -0.050 0.000 0.826 534 D CB -0.254 40.573 40.800 0.045 0.000 0.978 534 D HN 0.458 nan 8.370 nan 0.000 0.456 535 M N -0.057 119.515 119.600 -0.046 0.000 2.287 535 M HA -0.004 4.504 4.480 0.046 0.000 0.266 535 M C 1.634 177.873 176.300 -0.102 0.000 1.079 535 M CA 0.624 55.904 55.300 -0.033 0.000 1.146 535 M CB -0.073 32.602 32.600 0.124 0.000 1.374 535 M HN -0.046 nan 8.290 nan 0.000 0.435 536 N N 0.787 119.438 118.700 -0.083 0.000 2.188 536 N HA -0.066 4.701 4.740 0.046 0.000 0.184 536 N C 1.867 177.282 175.510 -0.159 0.000 1.018 536 N CA 1.528 54.519 53.050 -0.098 0.000 0.858 536 N CB -0.413 38.010 38.487 -0.105 0.000 0.989 536 N HN 0.414 nan 8.380 nan 0.000 0.426 537 G N 1.910 110.601 108.800 -0.181 0.000 2.440 537 G HA2 -0.229 3.758 3.960 0.046 0.000 0.218 537 G HA3 -0.229 3.758 3.960 0.046 0.000 0.218 537 G C 1.579 176.349 174.900 -0.217 0.000 1.154 537 G CA 0.676 45.675 45.100 -0.168 0.000 0.767 537 G HN 0.131 nan 8.290 nan 0.000 0.552 538 M N 1.148 120.533 119.600 -0.360 0.000 2.086 538 M HA 0.059 4.566 4.480 0.046 0.000 0.261 538 M C 3.065 179.227 176.300 -0.229 0.000 1.067 538 M CA 1.316 56.336 55.300 -0.467 0.000 1.116 538 M CB -1.431 30.470 32.600 -1.165 0.000 1.348 538 M HN 0.315 nan 8.290 nan 0.000 0.407 539 A N -0.133 122.599 122.820 -0.147 0.000 1.940 539 A HA -0.094 4.254 4.320 0.046 0.000 0.219 539 A C 2.476 180.055 177.584 -0.009 0.000 1.176 539 A CA 1.823 53.844 52.037 -0.026 0.000 0.631 539 A CB -1.010 17.992 19.000 0.003 0.000 0.814 539 A HN 0.304 nan 8.150 nan 0.000 0.446 540 V N 0.312 120.205 119.914 -0.036 0.000 2.358 540 V HA -0.261 3.886 4.120 0.046 0.000 0.246 540 V C 2.560 178.640 176.094 -0.023 0.000 1.047 540 V CA 2.397 64.687 62.300 -0.016 0.000 1.035 540 V CB -0.613 31.189 31.823 -0.034 0.000 0.658 540 V HN 0.786 nan 8.190 nan 0.000 0.452 541 K N 0.435 120.802 120.400 -0.056 0.000 2.097 541 K HA -0.242 4.106 4.320 0.046 0.000 0.205 541 K C 1.879 178.453 176.600 -0.044 0.000 1.050 541 K CA 1.950 58.202 56.287 -0.058 0.000 0.938 541 K CB -0.318 32.100 32.500 -0.136 0.000 0.718 541 K HN 0.465 nan 8.250 nan 0.000 0.442 542 D N 0.226 120.607 120.400 -0.032 0.000 2.144 542 D HA -0.125 4.543 4.640 0.046 0.000 0.199 542 D C 1.644 177.954 176.300 0.016 0.000 0.984 542 D CA 1.490 55.494 54.000 0.008 0.000 0.834 542 D CB 0.006 40.839 40.800 0.055 0.000 0.955 542 D HN 0.365 nan 8.370 nan 0.000 0.465 543 A N -0.645 122.185 122.820 0.016 0.000 1.898 543 A HA -0.041 4.306 4.320 0.046 0.000 0.214 543 A C 2.533 180.114 177.584 -0.006 0.000 1.183 543 A CA 1.019 53.065 52.037 0.015 0.000 0.622 543 A CB -0.818 18.196 19.000 0.023 0.000 0.824 543 A HN 0.456 nan 8.150 nan 0.000 0.444 544 C N -0.321 118.970 119.300 -0.014 0.000 2.419 544 C HA -0.053 4.434 4.460 0.046 0.000 0.281 544 C C 2.563 177.526 174.990 -0.046 0.000 1.336 544 C CA 1.174 60.174 59.018 -0.030 0.000 1.770 544 C CB -1.215 26.509 27.740 -0.028 0.000 1.929 544 C HN 0.664 nan 8.230 nan 0.000 0.509 545 E N 0.003 120.182 120.200 -0.035 0.000 2.158 545 E HA -0.120 4.257 4.350 0.046 0.000 0.191 545 E C 2.135 178.717 176.600 -0.030 0.000 0.982 545 E CA 1.275 57.652 56.400 -0.038 0.000 0.823 545 E CB -0.097 29.587 29.700 -0.026 0.000 0.766 545 E HN 0.578 nan 8.360 nan 0.000 0.468 546 T N 1.579 116.124 114.554 -0.016 0.000 2.674 546 T HA -0.155 4.223 4.350 0.046 0.000 0.265 546 T C 1.932 176.619 174.700 -0.021 0.000 1.039 546 T CA 0.921 63.016 62.100 -0.009 0.000 1.150 546 T CB -0.249 68.619 68.868 -0.001 0.000 0.864 546 T HN 0.066 nan 8.240 nan 0.000 0.427 547 L N 0.539 121.743 121.223 -0.031 0.000 1.970 547 L HA -0.143 4.225 4.340 0.046 0.000 0.212 547 L C 2.929 179.763 176.870 -0.060 0.000 1.071 547 L CA 1.574 56.391 54.840 -0.039 0.000 0.751 547 L CB -0.578 41.461 42.059 -0.034 0.000 0.889 547 L HN 0.129 nan 8.230 nan 0.000 0.432 548 R N 0.256 120.681 120.500 -0.125 0.000 2.133 548 R HA -0.199 4.168 4.340 0.046 0.000 0.247 548 R C 2.144 178.384 176.300 -0.100 0.000 1.151 548 R CA 1.799 57.741 56.100 -0.263 0.000 0.971 548 R CB -0.623 29.468 30.300 -0.349 0.000 0.866 548 R HN 0.510 nan 8.270 nan 0.000 0.447 549 G N 0.258 109.036 108.800 -0.036 0.000 2.418 549 G HA2 -0.243 3.744 3.960 0.046 0.000 0.217 549 G HA3 -0.243 3.744 3.960 0.046 0.000 0.217 549 G C 1.514 176.444 174.900 0.050 0.000 1.158 549 G CA 0.458 45.570 45.100 0.021 0.000 0.771 549 G HN 0.326 nan 8.290 nan 0.000 0.545 550 R N -0.319 120.200 120.500 0.031 0.000 2.096 550 R HA 0.098 4.466 4.340 0.046 0.000 0.235 550 R C 2.589 178.955 176.300 0.110 0.000 1.127 550 R CA 0.789 56.919 56.100 0.049 0.000 0.968 550 R CB -0.368 29.938 30.300 0.009 0.000 0.861 550 R HN 0.334 nan 8.270 nan 0.000 0.440 551 L N -0.298 120.997 121.223 0.120 0.000 2.156 551 L HA -0.080 4.288 4.340 0.046 0.000 0.208 551 L C 2.534 179.613 176.870 0.348 0.000 1.095 551 L CA 0.955 55.947 54.840 0.254 0.000 0.770 551 L CB -0.403 41.820 42.059 0.274 0.000 0.914 551 L HN 0.233 nan 8.230 nan 0.000 0.439 552 A N 0.194 123.195 122.820 0.302 0.000 1.930 552 A HA -0.002 4.346 4.320 0.046 0.000 0.215 552 A C 2.391 180.060 177.584 0.142 0.000 1.176 552 A CA 1.237 53.437 52.037 0.272 0.000 0.632 552 A CB -1.036 18.134 19.000 0.284 0.000 0.819 552 A HN 0.389 nan 8.150 nan 0.000 0.445 553 G N -0.989 107.890 108.800 0.133 0.000 2.432 553 G HA2 -0.214 3.774 3.960 0.046 0.000 0.219 553 G HA3 -0.214 3.774 3.960 0.046 0.000 0.219 553 G C 1.407 176.365 174.900 0.098 0.000 1.135 553 G CA 1.267 46.424 45.100 0.094 0.000 0.767 553 G HN 0.605 nan 8.290 nan 0.000 0.550 554 F N 0.887 120.836 119.950 -0.002 0.000 2.219 554 F HA 0.129 4.684 4.527 0.047 0.000 0.294 554 F C 2.380 178.143 175.800 -0.062 0.000 1.086 554 F CA 0.741 58.720 58.000 -0.034 0.000 1.330 554 F CB -0.104 38.868 39.000 -0.045 0.000 1.047 554 F HN -0.036 nan 8.300 nan 0.000 0.495 555 V N 1.083 120.768 119.914 -0.382 0.000 2.515 555 V HA -0.228 3.919 4.120 0.046 0.000 0.250 555 V C 2.783 178.677 176.094 -0.334 0.000 1.058 555 V CA 1.659 63.639 62.300 -0.533 0.000 1.064 555 V CB -1.468 30.144 31.823 -0.351 0.000 0.675 555 V HN 0.516 nan 8.190 nan 0.000 0.461 556 A N 0.050 122.767 122.820 -0.171 0.000 1.897 556 A HA -0.012 4.336 4.320 0.046 0.000 0.215 556 A C 2.408 179.930 177.584 -0.103 0.000 1.181 556 A CA 1.748 53.730 52.037 -0.092 0.000 0.620 556 A CB -0.681 18.301 19.000 -0.029 0.000 0.821 556 A HN 0.536 nan 8.150 nan 0.000 0.443 557 A N -0.592 122.156 122.820 -0.119 0.000 1.969 557 A HA -0.120 4.227 4.320 0.046 0.000 0.218 557 A C 2.271 179.776 177.584 -0.131 0.000 1.169 557 A CA 1.522 53.505 52.037 -0.091 0.000 0.635 557 A CB -0.447 18.520 19.000 -0.055 0.000 0.810 557 A HN 0.484 nan 8.150 nan 0.000 0.445 558 R N -0.148 120.201 120.500 -0.250 0.000 2.062 558 R HA -0.055 4.313 4.340 0.046 0.000 0.229 558 R C 0.537 176.760 176.300 -0.128 0.000 1.128 558 R CA 1.330 57.286 56.100 -0.239 0.000 0.960 558 R CB -0.111 29.909 30.300 -0.466 0.000 0.855 558 R HN 0.383 nan 8.270 nan 0.000 0.432 559 E N 0.317 120.447 120.200 -0.117 0.000 2.368 559 E HA 0.089 4.467 4.350 0.046 0.000 0.188 559 E C -0.078 176.513 176.600 -0.016 0.000 1.061 559 E CA 0.319 56.707 56.400 -0.019 0.000 0.933 559 E CB 0.174 29.904 29.700 0.050 0.000 1.091 559 E HN 0.525 nan 8.360 nan 0.000 0.458 560 G N 2.161 110.940 108.800 -0.035 0.000 2.256 560 G HA2 -0.260 3.728 3.960 0.046 0.000 0.218 560 G HA3 -0.260 3.728 3.960 0.046 0.000 0.218 560 G C 0.386 175.280 174.900 -0.011 0.000 0.485 560 G CA 0.671 45.759 45.100 -0.021 0.000 1.003 560 G HN 0.508 nan 8.290 nan 0.000 0.360 561 C N 0.201 119.494 119.300 -0.012 0.000 3.293 561 C HA 0.952 5.440 4.460 0.046 0.000 0.352 561 C C 0.238 175.228 174.990 0.000 0.000 1.607 561 C CA -0.164 58.853 59.018 -0.002 0.000 1.129 561 C CB 1.083 28.826 27.740 0.005 0.000 1.854 561 C HN 2.475 nan 8.230 nan 0.000 0.414 562 A N 0.382 123.207 122.820 0.009 0.000 2.324 562 A HA 0.831 5.179 4.320 0.046 0.000 0.330 562 A C 1.066 178.666 177.584 0.027 0.000 1.165 562 A CA 0.348 52.395 52.037 0.016 0.000 0.813 562 A CB 1.173 20.184 19.000 0.018 0.000 1.197 562 A HN 2.491 nan 8.150 nan 0.000 0.484 563 A N 1.941 124.782 122.820 0.035 0.000 1.940 563 A HA -0.190 4.157 4.320 0.046 0.000 0.219 563 A C 2.030 179.661 177.584 0.078 0.000 1.176 563 A CA 1.862 53.934 52.037 0.059 0.000 0.631 563 A CB -0.492 18.546 19.000 0.064 0.000 0.814 563 A HN 0.973 nan 8.150 nan 0.000 0.446 564 R N -0.863 119.675 120.500 0.063 0.000 2.328 564 R HA -0.047 4.320 4.340 0.046 0.000 0.207 564 R C 0.076 176.417 176.300 0.067 0.000 1.056 564 R CA 1.483 57.625 56.100 0.069 0.000 1.016 564 R CB -0.366 29.965 30.300 0.052 0.000 0.872 564 R HN 0.328 nan 8.270 nan 0.000 0.471 565 D N 1.113 121.545 120.400 0.054 0.000 2.349 565 D HA 0.083 4.751 4.640 0.046 0.000 0.214 565 D C -0.253 176.071 176.300 0.039 0.000 1.063 565 D CA 0.142 54.168 54.000 0.043 0.000 0.847 565 D CB 0.776 41.594 40.800 0.029 0.000 0.933 565 D HN 0.005 nan 8.370 nan 0.000 0.513 566 V N 2.269 122.215 119.914 0.053 0.000 2.455 566 V HA 0.200 4.347 4.120 0.046 0.000 0.273 566 V C 0.534 176.627 176.094 -0.001 0.000 1.045 566 V CA -0.238 62.062 62.300 0.000 0.000 0.976 566 V CB 1.255 33.087 31.823 0.014 0.000 0.993 566 V HN -0.066 nan 8.190 nan 0.000 0.475 567 I N 5.380 125.893 120.570 -0.095 0.000 2.377 567 I HA 0.447 4.645 4.170 0.046 0.000 0.293 567 I C -0.743 175.262 176.117 -0.186 0.000 0.987 567 I CA -0.147 61.134 61.300 -0.031 0.000 1.185 567 I CB 1.418 39.428 38.000 0.017 0.000 1.341 567 I HN 0.412 nan 8.210 nan 0.000 0.455 568 F N 4.277 124.280 119.950 0.088 0.000 2.402 568 F HA 0.450 5.005 4.527 0.046 0.000 0.355 568 F C -0.198 175.630 175.800 0.048 0.000 1.123 568 F CA -0.554 57.502 58.000 0.094 0.000 1.021 568 F CB 1.293 40.350 39.000 0.095 0.000 1.160 568 F HN 0.368 nan 8.300 nan 0.000 0.451 569 D N 1.723 122.228 120.400 0.176 0.000 2.937 569 D HA 0.518 5.185 4.640 0.046 0.000 0.215 569 D C -0.562 175.774 176.300 0.060 0.000 1.274 569 D CA -0.172 53.888 54.000 0.100 0.000 0.869 569 D CB 1.557 42.399 40.800 0.071 0.000 1.675 569 D HN 0.764 nan 8.370 nan 0.000 0.538 570 A N 2.820 125.654 122.820 0.024 0.000 2.687 570 A HA 0.202 4.550 4.320 0.046 0.000 0.299 570 A C 1.528 179.124 177.584 0.021 0.000 1.497 570 A CA 1.796 53.837 52.037 0.007 0.000 0.751 570 A CB -2.171 16.835 19.000 0.009 0.000 1.048 570 A HN 2.008 nan 8.150 nan 0.000 0.464 571 G N -2.434 106.371 108.800 0.009 0.000 2.162 571 G HA2 -0.219 3.769 3.960 0.046 0.000 0.260 571 G HA3 -0.219 3.769 3.960 0.046 0.000 0.260 571 G C -0.067 174.921 174.900 0.147 0.000 0.976 571 G CA 1.033 46.162 45.100 0.048 0.000 0.655 571 G HN 1.518 nan 8.290 nan 0.000 0.533 572 Q N -0.683 119.201 119.800 0.140 0.000 2.413 572 Q HA 0.703 5.070 4.340 0.046 0.000 0.276 572 Q C -0.580 175.502 176.000 0.136 0.000 1.099 572 Q CA -0.736 55.160 55.803 0.153 0.000 0.814 572 Q CB 2.933 31.727 28.738 0.094 0.000 1.379 572 Q HN 0.253 nan 8.270 nan 0.000 0.436 573 V N 1.370 121.361 119.914 0.129 0.000 2.628 573 V HA 0.443 4.590 4.120 0.046 0.000 0.306 573 V C -0.707 175.447 176.094 0.099 0.000 1.045 573 V CA -0.651 61.611 62.300 -0.064 0.000 0.905 573 V CB 2.094 33.843 31.823 -0.124 0.000 0.997 573 V HN 0.679 nan 8.190 nan 0.000 0.436 574 Q N 1.773 121.570 119.800 -0.005 0.000 2.305 574 Q HA 0.818 5.185 4.340 0.046 0.000 0.271 574 Q C -1.062 174.993 176.000 0.091 0.000 1.046 574 Q CA -0.393 55.459 55.803 0.082 0.000 0.798 574 Q CB 2.378 31.124 28.738 0.013 0.000 1.286 574 Q HN 1.026 nan 8.270 nan 0.000 0.435 575 A N 1.261 124.193 122.820 0.186 0.000 2.540 575 A HA 0.580 4.928 4.320 0.046 0.000 0.297 575 A C -0.350 177.297 177.584 0.106 0.000 1.056 575 A CA -0.451 51.676 52.037 0.150 0.000 0.700 575 A CB 1.287 20.403 19.000 0.194 0.000 1.280 575 A HN 0.792 nan 8.150 nan 0.000 0.398 576 S N 0.757 116.486 115.700 0.048 0.000 3.549 576 S HA -0.082 4.415 4.470 0.046 0.000 0.366 576 S C 1.710 176.298 174.600 -0.019 0.000 1.012 576 S CA 1.844 60.056 58.200 0.020 0.000 1.141 576 S CB -1.615 61.608 63.200 0.038 0.000 0.910 576 S HN 2.863 nan 8.310 nan 0.000 0.471 577 G N -0.444 108.335 108.800 -0.035 0.000 2.245 577 G HA2 -0.365 3.623 3.960 0.046 0.000 0.264 577 G HA3 -0.365 3.623 3.960 0.046 0.000 0.264 577 G C 0.039 174.854 174.900 -0.142 0.000 0.985 577 G CA 0.986 46.043 45.100 -0.071 0.000 0.625 577 G HN 0.704 nan 8.290 nan 0.000 0.536 578 K N 0.546 120.822 120.400 -0.207 0.000 2.087 578 K HA 0.646 4.993 4.320 0.046 0.000 0.255 578 K C 0.290 176.549 176.600 -0.568 0.000 0.988 578 K CA 0.252 56.250 56.287 -0.482 0.000 0.915 578 K CB 1.518 33.575 32.500 -0.737 0.000 1.043 578 K HN 0.508 nan 8.250 nan 0.000 0.457 579 S N 1.029 116.300 115.700 -0.716 0.000 2.540 579 S HA 0.607 5.104 4.470 0.046 0.000 0.275 579 S C -1.578 172.806 174.600 -0.361 0.000 1.123 579 S CA -0.926 57.050 58.200 -0.374 0.000 0.907 579 S CB 0.936 64.040 63.200 -0.160 0.000 1.081 579 S HN 0.612 nan 8.310 nan 0.000 0.476 580 W N 1.382 122.672 121.300 -0.016 0.000 3.083 580 W HA 0.461 5.149 4.660 0.046 0.000 0.333 580 W C -0.130 176.411 176.519 0.038 0.000 1.217 580 W CA -0.960 56.390 57.345 0.008 0.000 1.170 580 W CB 2.064 31.527 29.460 0.005 0.000 1.437 580 W HN 0.618 nan 8.180 nan 0.000 0.557 581 R N 1.048 121.739 120.500 0.319 0.000 2.543 581 R HA 0.070 4.438 4.340 0.046 0.000 0.277 581 R C 1.184 177.649 176.300 0.276 0.000 1.074 581 R CA -0.355 55.895 56.100 0.249 0.000 1.076 581 R CB 0.631 31.045 30.300 0.190 0.000 0.993 581 R HN 0.427 nan 8.270 nan 0.000 0.459 582 F N 2.933 122.965 119.950 0.136 0.000 2.087 582 F HA -0.345 4.208 4.527 0.044 0.000 0.299 582 F C 2.117 177.982 175.800 0.109 0.000 1.100 582 F CA 2.246 60.331 58.000 0.141 0.000 1.226 582 F CB -0.365 38.722 39.000 0.145 0.000 0.983 582 F HN 0.715 nan 8.300 nan 0.000 0.479 583 A N 0.244 123.156 122.820 0.154 0.000 1.884 583 A HA -0.314 4.034 4.320 0.046 0.000 0.219 583 A C 2.061 179.629 177.584 -0.028 0.000 1.197 583 A CA 2.301 54.350 52.037 0.020 0.000 0.637 583 A CB -1.155 17.898 19.000 0.089 0.000 0.827 583 A HN 0.637 nan 8.150 nan 0.000 0.450 584 E N -0.420 119.808 120.200 0.045 0.000 2.118 584 E HA -0.176 4.201 4.350 0.046 0.000 0.195 584 E C 1.849 178.419 176.600 -0.051 0.000 0.992 584 E CA 1.147 57.572 56.400 0.041 0.000 0.804 584 E CB -0.325 29.462 29.700 0.146 0.000 0.741 584 E HN 0.546 nan 8.360 nan 0.000 0.458 585 I N 1.034 121.537 120.570 -0.112 0.000 2.179 585 I HA -0.212 3.985 4.170 0.046 0.000 0.242 585 I C 2.420 178.452 176.117 -0.142 0.000 1.088 585 I CA 1.019 62.228 61.300 -0.152 0.000 1.357 585 I CB -1.082 36.829 38.000 -0.147 0.000 1.051 585 I HN 0.019 nan 8.210 nan 0.000 0.409 586 V N 1.377 121.125 119.914 -0.276 0.000 2.295 586 V HA -0.271 3.876 4.120 0.046 0.000 0.246 586 V C 2.843 178.853 176.094 -0.140 0.000 1.049 586 V CA 1.785 63.922 62.300 -0.272 0.000 1.024 586 V CB -1.263 30.350 31.823 -0.350 0.000 0.648 586 V HN 0.460 nan 8.190 nan 0.000 0.447 587 A N 0.212 122.986 122.820 -0.077 0.000 1.892 587 A HA -0.211 4.136 4.320 0.046 0.000 0.218 587 A C 2.442 180.041 177.584 0.025 0.000 1.188 587 A CA 2.480 54.524 52.037 0.012 0.000 0.631 587 A CB -0.959 18.056 19.000 0.024 0.000 0.822 587 A HN 0.610 nan 8.150 nan 0.000 0.447 588 A N -0.439 122.372 122.820 -0.014 0.000 1.933 588 A HA 0.165 4.512 4.320 0.046 0.000 0.218 588 A C 2.477 179.861 177.584 -0.334 0.000 1.175 588 A CA 2.101 54.138 52.037 -0.000 0.000 0.628 588 A CB -0.931 18.196 19.000 0.213 0.000 0.814 588 A HN 1.095 nan 8.150 nan 0.000 0.444 589 A N -1.363 121.097 122.820 -0.601 0.000 1.898 589 A HA -0.077 4.271 4.320 0.046 0.000 0.216 589 A C 2.103 179.419 177.584 -0.447 0.000 1.181 589 A CA 1.617 53.047 52.037 -1.011 0.000 0.620 589 A CB -0.837 17.731 19.000 -0.720 0.000 0.819 589 A HN 0.711 nan 8.150 nan 0.000 0.442 590 Y N 0.776 120.882 120.300 -0.324 0.000 2.081 590 Y HA -0.277 4.302 4.550 0.047 0.000 0.280 590 Y C 2.321 178.121 175.900 -0.167 0.000 1.163 590 Y CA 2.330 60.310 58.100 -0.201 0.000 1.135 590 Y CB -0.325 38.055 38.460 -0.133 0.000 0.970 590 Y HN 0.259 nan 8.280 nan 0.000 0.498 591 M N -0.319 119.122 119.600 -0.265 0.000 2.358 591 M HA -0.101 4.406 4.480 0.046 0.000 0.264 591 M C 2.028 178.163 176.300 -0.275 0.000 1.064 591 M CA 1.559 56.674 55.300 -0.307 0.000 1.093 591 M CB -1.349 31.192 32.600 -0.100 0.000 1.401 591 M HN 0.496 nan 8.290 nan 0.000 0.440 592 A N 0.030 122.682 122.820 -0.280 0.000 2.275 592 A HA 0.166 4.514 4.320 0.046 0.000 0.212 592 A C 0.610 178.068 177.584 -0.211 0.000 1.201 592 A CA -0.225 51.698 52.037 -0.190 0.000 0.843 592 A CB -0.132 18.785 19.000 -0.139 0.000 0.873 592 A HN 0.544 nan 8.150 nan 0.000 0.492 593 R N -1.261 119.066 120.500 -0.289 0.000 3.125 593 R HA -0.119 4.248 4.340 0.046 0.000 0.258 593 R C -1.256 174.942 176.300 -0.171 0.000 0.968 593 R CA 0.635 56.595 56.100 -0.232 0.000 0.656 593 R CB -2.161 28.034 30.300 -0.174 0.000 1.251 593 R HN 0.514 nan 8.270 nan 0.000 0.428 594 I N 0.563 121.017 120.570 -0.194 0.000 2.418 594 I HA 0.119 4.316 4.170 0.046 0.000 0.287 594 I C 0.684 176.741 176.117 -0.101 0.000 1.008 594 I CA -0.517 60.694 61.300 -0.148 0.000 1.104 594 I CB 1.991 39.857 38.000 -0.224 0.000 1.264 594 I HN 0.227 nan 8.210 nan 0.000 0.438 595 S N 6.680 122.342 115.700 -0.064 0.000 2.546 595 S HA 0.174 4.672 4.470 0.046 0.000 0.290 595 S C 0.344 174.912 174.600 -0.053 0.000 1.290 595 S CA 0.006 58.179 58.200 -0.043 0.000 1.069 595 S CB 0.184 63.364 63.200 -0.034 0.000 0.846 595 S HN 0.533 nan 8.310 nan 0.000 0.495 596 L N 4.471 125.663 121.223 -0.052 0.000 3.034 596 L HA 0.354 4.721 4.340 0.046 0.000 0.245 596 L C 0.502 177.314 176.870 -0.097 0.000 1.295 596 L CA -0.293 54.498 54.840 -0.080 0.000 1.068 596 L CB 0.103 42.102 42.059 -0.100 0.000 1.426 596 L HN 0.557 nan 8.230 nan 0.000 0.531 597 S N 0.480 116.138 115.700 -0.070 0.000 2.549 597 S HA 0.907 5.405 4.470 0.046 0.000 0.280 597 S C -1.078 173.496 174.600 -0.043 0.000 1.109 597 S CA -0.300 57.857 58.200 -0.072 0.000 0.905 597 S CB 2.040 65.203 63.200 -0.061 0.000 1.081 597 S HN 0.224 nan 8.310 nan 0.000 0.477 598 A N 2.163 124.963 122.820 -0.033 0.000 2.566 598 A HA 0.724 5.072 4.320 0.046 0.000 0.297 598 A C -0.219 177.369 177.584 0.006 0.000 1.059 598 A CA -0.556 51.474 52.037 -0.012 0.000 0.691 598 A CB 1.095 20.088 19.000 -0.011 0.000 1.282 598 A HN 1.028 nan 8.150 nan 0.000 0.401 599 T N -0.557 114.010 114.554 0.021 0.000 2.912 599 T HA 0.860 5.238 4.350 0.046 0.000 0.280 599 T C 0.334 175.076 174.700 0.069 0.000 0.989 599 T CA -0.184 61.944 62.100 0.047 0.000 0.995 599 T CB 1.814 70.714 68.868 0.054 0.000 1.077 599 T HN 1.915 nan 8.240 nan 0.000 0.531 600 G N -0.322 108.545 108.800 0.111 0.000 2.696 600 G HA2 0.639 4.627 3.960 0.046 0.000 0.295 600 G HA3 0.639 4.627 3.960 0.046 0.000 0.295 600 G C -2.130 172.920 174.900 0.250 0.000 1.398 600 G CA -0.863 44.320 45.100 0.139 0.000 0.920 600 G HN 0.797 nan 8.290 nan 0.000 0.492 601 F N 0.982 120.973 119.950 0.069 0.000 2.641 601 F HA 0.746 5.299 4.527 0.044 0.000 0.308 601 F C -2.153 173.747 175.800 0.166 0.000 1.105 601 F CA -1.167 56.890 58.000 0.094 0.000 0.964 601 F CB 2.245 41.280 39.000 0.059 0.000 1.294 601 F HN 0.628 nan 8.300 nan 0.000 0.442 602 Y N 3.657 123.435 120.300 -0.869 0.000 2.479 602 Y HA 0.768 5.346 4.550 0.045 0.000 0.338 602 Y C -1.787 173.731 175.900 -0.637 0.000 1.055 602 Y CA -0.773 57.020 58.100 -0.513 0.000 1.023 602 Y CB 1.854 40.154 38.460 -0.267 0.000 1.287 602 Y HN 0.894 nan 8.280 nan 0.000 0.447 603 A N 3.993 126.243 122.820 -0.951 0.000 2.319 603 A HA 0.579 4.926 4.320 0.046 0.000 0.310 603 A C -0.681 176.370 177.584 -0.888 0.000 1.152 603 A CA -0.708 50.949 52.037 -0.634 0.000 0.783 603 A CB 0.512 19.424 19.000 -0.147 0.000 1.184 603 A HN 0.718 nan 8.150 nan 0.000 0.474 604 T N 5.536 119.745 114.554 -0.576 0.000 2.853 604 T HA 0.375 4.753 4.350 0.046 0.000 0.298 604 T C -1.869 172.716 174.700 -0.191 0.000 0.978 604 T CA -0.173 61.724 62.100 -0.337 0.000 1.152 604 T CB 0.173 69.028 68.868 -0.023 0.000 0.914 604 T HN 0.624 nan 8.240 nan 0.000 0.539 605 P HA 0.341 nan 4.420 nan 0.000 0.282 605 P C -0.003 177.293 177.300 -0.006 0.000 1.287 605 P CA -0.671 62.397 63.100 -0.053 0.000 0.792 605 P CB 0.616 32.302 31.700 -0.024 0.000 1.163 606 K N -2.333 118.069 120.400 0.004 0.000 3.426 606 K HA -0.157 4.190 4.320 0.046 0.000 0.315 606 K C 0.017 176.624 176.600 0.011 0.000 1.293 606 K CA 0.693 56.989 56.287 0.015 0.000 0.955 606 K CB -1.842 30.674 32.500 0.027 0.000 1.238 606 K HN 0.388 nan 8.250 nan 0.000 0.441 607 L N 0.519 121.745 121.223 0.006 0.000 2.343 607 L HA 0.528 4.895 4.340 0.046 0.000 0.275 607 L C 0.268 177.163 176.870 0.041 0.000 1.056 607 L CA -0.601 54.241 54.840 0.003 0.000 0.804 607 L CB 1.827 43.884 42.059 -0.003 0.000 1.203 607 L HN 0.096 nan 8.230 nan 0.000 0.440 608 S N 2.603 118.349 115.700 0.076 0.000 2.720 608 S HA 0.441 4.938 4.470 0.046 0.000 0.318 608 S C -2.085 172.654 174.600 0.232 0.000 0.872 608 S CA -0.784 57.493 58.200 0.129 0.000 0.794 608 S CB 0.505 63.745 63.200 0.068 0.000 1.009 608 S HN 0.738 nan 8.310 nan 0.000 0.491 609 W N 3.817 125.061 121.300 -0.093 0.000 2.982 609 W HA 0.633 5.320 4.660 0.045 0.000 0.344 609 W C -2.537 173.920 176.519 -0.104 0.000 1.215 609 W CA -0.603 56.670 57.345 -0.120 0.000 1.182 609 W CB 0.393 29.738 29.460 -0.191 0.000 1.437 609 W HN 0.631 nan 8.180 nan 0.000 0.570 610 D N 2.224 122.299 120.400 -0.542 0.000 2.462 610 D HA 0.313 4.981 4.640 0.046 0.000 0.245 610 D C 1.079 176.807 176.300 -0.953 0.000 1.122 610 D CA -0.364 53.233 54.000 -0.671 0.000 0.864 610 D CB 1.817 42.430 40.800 -0.312 0.000 1.098 610 D HN 0.495 nan 8.370 nan 0.000 0.541 611 R N 2.958 122.737 120.500 -1.201 0.000 2.094 611 R HA -0.103 4.264 4.340 0.046 0.000 0.239 611 R C 1.827 178.006 176.300 -0.201 0.000 1.137 611 R CA 1.200 56.780 56.100 -0.867 0.000 0.943 611 R CB 0.001 30.034 30.300 -0.447 0.000 0.850 611 R HN 0.523 nan 8.270 nan 0.000 0.433 612 L N -0.263 120.868 121.223 -0.155 0.000 2.083 612 L HA -0.177 4.190 4.340 0.046 0.000 0.209 612 L C 2.564 179.448 176.870 0.023 0.000 1.083 612 L CA 1.422 56.271 54.840 0.015 0.000 0.752 612 L CB -0.305 41.739 42.059 -0.025 0.000 0.899 612 L HN 0.226 nan 8.230 nan 0.000 0.433 613 R N -0.325 120.093 120.500 -0.138 0.000 2.246 613 R HA 0.078 4.445 4.340 0.046 0.000 0.199 613 R C 0.961 177.030 176.300 -0.385 0.000 0.984 613 R CA 0.594 56.602 56.100 -0.152 0.000 1.015 613 R CB 0.111 30.331 30.300 -0.133 0.000 0.930 613 R HN 0.438 nan 8.270 nan 0.000 0.475 614 G N 1.882 110.275 108.800 -0.679 0.000 2.298 614 G HA2 -0.226 3.761 3.960 0.046 0.000 0.287 614 G HA3 -0.226 3.761 3.960 0.046 0.000 0.287 614 G C -0.397 174.142 174.900 -0.601 0.000 1.075 614 G CA 0.061 44.317 45.100 -1.407 0.000 0.960 614 G HN 0.182 nan 8.290 nan 0.000 0.502 615 Q N -1.146 118.519 119.800 -0.225 0.000 2.345 615 Q HA 0.754 5.121 4.340 0.046 0.000 0.275 615 Q C 0.380 176.458 176.000 0.128 0.000 1.063 615 Q CA 0.239 56.028 55.803 -0.023 0.000 0.819 615 Q CB 2.251 30.960 28.738 -0.048 0.000 1.356 615 Q HN 1.644 nan 8.270 nan 0.000 0.418 616 G N 1.120 110.019 108.800 0.166 0.000 2.302 616 G HA2 0.016 4.003 3.960 0.046 0.000 0.264 616 G HA3 0.016 4.003 3.960 0.046 0.000 0.264 616 G C -1.571 173.407 174.900 0.129 0.000 1.335 616 G CA -0.897 44.307 45.100 0.174 0.000 0.982 616 G HN 0.311 nan 8.290 nan 0.000 0.473 617 R N 1.604 122.144 120.500 0.067 0.000 2.363 617 R HA 0.421 4.789 4.340 0.046 0.000 0.297 617 R C -1.944 174.210 176.300 -0.243 0.000 1.208 617 R CA -1.672 54.401 56.100 -0.045 0.000 1.121 617 R CB 1.787 32.084 30.300 -0.005 0.000 1.124 617 R HN 0.333 nan 8.270 nan 0.000 0.561 618 P HA 0.058 nan 4.420 nan 0.000 0.245 618 P C -0.352 176.380 177.300 -0.947 0.000 1.203 618 P CA 0.412 62.836 63.100 -1.127 0.000 0.792 618 P CB 0.384 30.680 31.700 -2.340 0.000 0.997 619 F N -0.929 118.786 119.950 -0.391 0.000 2.538 619 F HA 0.299 4.853 4.527 0.045 0.000 0.325 619 F C 1.541 177.137 175.800 -0.341 0.000 1.066 619 F CA -1.232 56.496 58.000 -0.454 0.000 0.946 619 F CB 1.384 39.938 39.000 -0.743 0.000 1.199 619 F HN -0.341 nan 8.300 nan 0.000 0.473 620 L N 2.146 123.313 121.223 -0.093 0.000 2.162 620 L HA 0.122 4.489 4.340 0.046 0.000 0.205 620 L C -0.468 176.439 176.870 0.061 0.000 1.086 620 L CA 1.352 56.206 54.840 0.023 0.000 0.778 620 L CB -0.344 41.823 42.059 0.181 0.000 0.928 620 L HN 0.657 nan 8.230 nan 0.000 0.446 621 Y N -4.815 115.365 120.300 -0.199 0.000 2.779 621 Y HA 0.545 5.122 4.550 0.045 0.000 0.340 621 Y C -1.547 174.096 175.900 -0.430 0.000 1.252 621 Y CA -2.449 55.537 58.100 -0.189 0.000 1.072 621 Y CB 0.096 38.536 38.460 -0.034 0.000 1.343 621 Y HN -0.198 nan 8.280 nan 0.000 0.450 622 F N 1.341 121.273 119.950 -0.031 0.000 2.522 622 F HA 0.881 5.436 4.527 0.046 0.000 0.324 622 F C 0.302 175.935 175.800 -0.278 0.000 1.077 622 F CA -0.667 57.127 58.000 -0.343 0.000 0.944 622 F CB 2.262 40.950 39.000 -0.519 0.000 1.175 622 F HN 0.857 nan 8.300 nan 0.000 0.468 623 A N 2.153 124.883 122.820 -0.150 0.000 2.306 623 A HA 0.817 5.165 4.320 0.046 0.000 0.330 623 A C -1.768 175.564 177.584 -0.420 0.000 1.146 623 A CA -0.355 51.624 52.037 -0.097 0.000 0.827 623 A CB 0.581 19.605 19.000 0.040 0.000 1.178 623 A HN 0.730 nan 8.150 nan 0.000 0.490 624 Y N -0.765 119.466 120.300 -0.116 0.000 2.609 624 Y HA 0.709 5.287 4.550 0.046 0.000 0.342 624 Y C 0.720 176.417 175.900 -0.337 0.000 1.058 624 Y CA 0.121 58.109 58.100 -0.186 0.000 1.055 624 Y CB 2.659 40.955 38.460 -0.273 0.000 1.292 624 Y HN 1.144 nan 8.280 nan 0.000 0.476 625 G N -0.277 108.530 108.800 0.012 0.000 2.430 625 G HA2 0.697 4.685 3.960 0.046 0.000 0.300 625 G HA3 0.697 4.685 3.960 0.046 0.000 0.300 625 G C -2.179 172.750 174.900 0.049 0.000 1.330 625 G CA -0.188 44.943 45.100 0.051 0.000 0.813 625 G HN 1.017 nan 8.290 nan 0.000 0.487 626 A N -1.599 121.259 122.820 0.064 0.000 2.612 626 A HA 1.067 5.415 4.320 0.046 0.000 0.293 626 A C -0.594 177.014 177.584 0.041 0.000 1.075 626 A CA 0.340 52.397 52.037 0.033 0.000 0.680 626 A CB 1.234 20.214 19.000 -0.033 0.000 1.279 626 A HN 2.548 nan 8.150 nan 0.000 0.411 627 A N 0.371 123.212 122.820 0.035 0.000 2.498 627 A HA 0.846 5.194 4.320 0.046 0.000 0.298 627 A C -1.273 176.294 177.584 -0.027 0.000 1.075 627 A CA -0.387 51.658 52.037 0.013 0.000 0.714 627 A CB 1.025 20.071 19.000 0.078 0.000 1.299 627 A HN 0.920 nan 8.150 nan 0.000 0.407 628 I N 1.360 121.890 120.570 -0.066 0.000 2.418 628 I HA 0.412 4.610 4.170 0.046 0.000 0.287 628 I C -0.378 175.728 176.117 -0.018 0.000 1.008 628 I CA -0.092 61.157 61.300 -0.084 0.000 1.104 628 I CB 2.404 40.281 38.000 -0.204 0.000 1.264 628 I HN 0.592 nan 8.210 nan 0.000 0.438 629 T N 5.293 119.869 114.554 0.037 0.000 2.856 629 T HA 0.354 4.732 4.350 0.046 0.000 0.283 629 T C -0.737 173.986 174.700 0.039 0.000 1.008 629 T CA -0.588 61.537 62.100 0.043 0.000 0.997 629 T CB 1.911 70.841 68.868 0.103 0.000 0.992 629 T HN 0.573 nan 8.240 nan 0.000 0.454 630 E N 2.257 122.459 120.200 0.003 0.000 2.222 630 E HA 0.657 5.034 4.350 0.046 0.000 0.267 630 E C -0.989 175.580 176.600 -0.051 0.000 0.884 630 E CA -0.820 55.570 56.400 -0.017 0.000 0.764 630 E CB 1.452 31.134 29.700 -0.029 0.000 1.169 630 E HN 0.486 nan 8.360 nan 0.000 0.413 631 V N 0.762 120.637 119.914 -0.064 0.000 3.167 631 V HA 0.834 4.981 4.120 0.046 0.000 0.310 631 V C -0.924 175.113 176.094 -0.094 0.000 1.207 631 V CA -0.670 61.586 62.300 -0.075 0.000 1.059 631 V CB 1.596 33.381 31.823 -0.062 0.000 1.079 631 V HN 0.520 nan 8.190 nan 0.000 0.446 632 V N 0.147 120.012 119.914 -0.082 0.000 3.007 632 V HA 0.832 4.979 4.120 0.046 0.000 0.311 632 V C -0.431 175.643 176.094 -0.033 0.000 1.120 632 V CA -0.528 61.734 62.300 -0.063 0.000 0.980 632 V CB 1.368 33.157 31.823 -0.056 0.000 1.033 632 V HN 1.434 nan 8.190 nan 0.000 0.429 633 I N -0.958 119.608 120.570 -0.007 0.000 2.828 633 I HA 0.796 4.993 4.170 0.046 0.000 0.302 633 I C -1.238 174.887 176.117 0.014 0.000 1.101 633 I CA -0.567 60.725 61.300 -0.013 0.000 1.031 633 I CB 2.309 40.285 38.000 -0.040 0.000 1.231 633 I HN 0.668 nan 8.210 nan 0.000 0.427 634 D N 3.931 124.332 120.400 0.001 0.000 2.380 634 D HA 0.285 4.953 4.640 0.046 0.000 0.230 634 D C 0.798 177.092 176.300 -0.009 0.000 1.154 634 D CA -0.419 53.585 54.000 0.006 0.000 0.859 634 D CB 1.098 41.898 40.800 0.001 0.000 1.045 634 D HN 0.536 nan 8.370 nan 0.000 0.495 635 R N 2.844 123.339 120.500 -0.007 0.000 2.249 635 R HA -0.058 4.309 4.340 0.046 0.000 0.230 635 R C 1.466 177.754 176.300 -0.019 0.000 1.121 635 R CA 0.716 56.805 56.100 -0.019 0.000 0.997 635 R CB 0.031 30.320 30.300 -0.019 0.000 0.867 635 R HN 0.550 nan 8.270 nan 0.000 0.465 636 L N -0.384 120.830 121.223 -0.015 0.000 2.127 636 L HA -0.053 4.314 4.340 0.046 0.000 0.203 636 L C 2.313 179.173 176.870 -0.017 0.000 1.080 636 L CA 1.547 56.378 54.840 -0.016 0.000 0.768 636 L CB -0.259 41.792 42.059 -0.013 0.000 0.924 636 L HN 0.275 nan 8.230 nan 0.000 0.444 637 T N -5.310 109.234 114.554 -0.017 0.000 2.971 637 T HA 0.304 4.681 4.350 0.046 0.000 0.252 637 T C 1.401 176.087 174.700 -0.023 0.000 1.022 637 T CA 0.543 62.632 62.100 -0.018 0.000 0.980 637 T CB 1.096 69.954 68.868 -0.016 0.000 1.044 637 T HN 0.390 nan 8.240 nan 0.000 0.501 638 G N 1.329 110.113 108.800 -0.027 0.000 2.217 638 G HA2 -0.238 3.749 3.960 0.046 0.000 0.246 638 G HA3 -0.238 3.749 3.960 0.046 0.000 0.246 638 G C -0.094 174.785 174.900 -0.035 0.000 0.990 638 G CA 0.039 45.118 45.100 -0.035 0.000 0.627 638 G HN 0.664 nan 8.290 nan 0.000 0.522 639 E N 0.890 121.074 120.200 -0.027 0.000 2.492 639 E HA 0.361 4.739 4.350 0.046 0.000 0.266 639 E C 0.671 177.253 176.600 -0.029 0.000 1.047 639 E CA 1.328 57.712 56.400 -0.027 0.000 0.968 639 E CB 0.188 29.877 29.700 -0.019 0.000 0.960 639 E HN 0.874 nan 8.360 nan 0.000 0.452 640 N N 0.034 118.714 118.700 -0.034 0.000 3.356 640 N HA 0.402 5.169 4.740 0.046 0.000 0.246 640 N C -1.747 173.736 175.510 -0.044 0.000 1.480 640 N CA -1.081 51.946 53.050 -0.039 0.000 0.877 640 N CB 1.037 39.494 38.487 -0.051 0.000 1.431 640 N HN 0.501 nan 8.380 nan 0.000 0.500 641 R N -0.350 120.120 120.500 -0.050 0.000 2.728 641 R HA 0.400 4.768 4.340 0.046 0.000 0.259 641 R C -1.921 174.341 176.300 -0.063 0.000 1.057 641 R CA -0.914 55.154 56.100 -0.054 0.000 0.908 641 R CB 0.485 30.759 30.300 -0.044 0.000 1.259 641 R HN 0.532 nan 8.270 nan 0.000 0.472 642 I N 3.720 124.249 120.570 -0.068 0.000 2.452 642 I HA 0.047 4.244 4.170 0.046 0.000 0.287 642 I C 1.310 177.379 176.117 -0.080 0.000 1.079 642 I CA -0.306 60.952 61.300 -0.070 0.000 1.387 642 I CB 0.973 38.932 38.000 -0.068 0.000 1.404 642 I HN 0.553 nan 8.210 nan 0.000 0.522 643 L N 5.679 126.852 121.223 -0.083 0.000 2.168 643 L HA 0.198 4.566 4.340 0.046 0.000 0.203 643 L C 1.057 177.877 176.870 -0.084 0.000 1.078 643 L CA 0.586 55.375 54.840 -0.085 0.000 0.780 643 L CB -0.055 41.940 42.059 -0.107 0.000 0.939 643 L HN 0.591 nan 8.230 nan 0.000 0.451 644 R N -0.875 119.573 120.500 -0.087 0.000 2.643 644 R HA 0.419 4.786 4.340 0.046 0.000 0.269 644 R C -1.667 174.570 176.300 -0.104 0.000 1.037 644 R CA -0.346 55.702 56.100 -0.087 0.000 0.894 644 R CB 2.182 32.450 30.300 -0.054 0.000 1.238 644 R HN -0.213 nan 8.270 nan 0.000 0.459 645 T N 2.006 116.466 114.554 -0.156 0.000 2.900 645 T HA 0.419 4.797 4.350 0.046 0.000 0.295 645 T C -1.671 172.957 174.700 -0.119 0.000 1.044 645 T CA -0.664 61.310 62.100 -0.211 0.000 0.995 645 T CB 1.764 70.290 68.868 -0.571 0.000 1.072 645 T HN 0.594 nan 8.240 nan 0.000 0.473 646 D N 1.243 121.584 120.400 -0.098 0.000 2.863 646 D HA 0.600 5.267 4.640 0.046 0.000 0.245 646 D C -0.766 175.501 176.300 -0.055 0.000 1.211 646 D CA -0.383 53.593 54.000 -0.039 0.000 0.888 646 D CB 1.597 42.385 40.800 -0.020 0.000 1.483 646 D HN 0.342 nan 8.370 nan 0.000 0.533 647 I N 1.776 122.332 120.570 -0.024 0.000 2.785 647 I HA 0.531 4.729 4.170 0.046 0.000 0.302 647 I C -1.423 174.718 176.117 0.040 0.000 1.069 647 I CA -1.197 60.099 61.300 -0.007 0.000 1.045 647 I CB 2.101 40.090 38.000 -0.018 0.000 1.236 647 I HN 0.144 nan 8.210 nan 0.000 0.429 648 L N 4.964 126.228 121.223 0.069 0.000 2.441 648 L HA 0.533 4.901 4.340 0.046 0.000 0.270 648 L C -1.455 175.506 176.870 0.150 0.000 0.973 648 L CA -0.131 54.774 54.840 0.108 0.000 0.842 648 L CB 1.313 43.421 42.059 0.082 0.000 1.239 648 L HN 0.574 nan 8.230 nan 0.000 0.406 649 H N 1.790 120.906 119.070 0.076 0.000 2.717 649 H HA 0.504 5.088 4.556 0.046 0.000 0.366 649 H C -1.392 174.021 175.328 0.141 0.000 1.132 649 H CA -0.565 55.525 56.048 0.070 0.000 1.180 649 H CB 1.755 31.552 29.762 0.060 0.000 1.678 649 H HN 0.652 nan 8.280 nan 0.000 0.537 650 D N 3.024 123.153 120.400 -0.451 0.000 2.441 650 D HA 0.284 4.952 4.640 0.046 0.000 0.221 650 D C -0.233 176.036 176.300 -0.052 0.000 1.156 650 D CA -0.154 53.789 54.000 -0.094 0.000 0.896 650 D CB 0.309 41.043 40.800 -0.110 0.000 1.028 650 D HN 0.604 nan 8.370 nan 0.000 0.509 651 A N 3.352 126.238 122.820 0.110 0.000 2.532 651 A HA 0.622 4.970 4.320 0.046 0.000 0.273 651 A C 1.315 178.955 177.584 0.093 0.000 1.342 651 A CA 0.183 52.296 52.037 0.126 0.000 0.929 651 A CB -0.773 18.318 19.000 0.151 0.000 1.051 651 A HN 0.885 nan 8.150 nan 0.000 0.521 652 G N -0.271 108.589 108.800 0.101 0.000 2.575 652 G HA2 0.127 4.114 3.960 0.046 0.000 0.267 652 G HA3 0.127 4.114 3.960 0.046 0.000 0.267 652 G C 0.503 175.424 174.900 0.035 0.000 1.264 652 G CA -0.069 45.064 45.100 0.055 0.000 0.935 652 G HN 1.814 nan 8.290 nan 0.000 0.568 653 A N -0.023 122.803 122.820 0.009 0.000 2.666 653 A HA 0.631 4.978 4.320 0.046 0.000 0.301 653 A C 1.021 178.613 177.584 0.013 0.000 1.470 653 A CA 1.452 53.491 52.037 0.003 0.000 1.159 653 A CB -0.415 18.588 19.000 0.005 0.000 1.116 653 A HN 2.305 nan 8.150 nan 0.000 0.548 654 S N 2.058 117.768 115.700 0.017 0.000 2.573 654 S HA 0.076 4.574 4.470 0.046 0.000 0.297 654 S C 1.243 175.842 174.600 -0.000 0.000 1.280 654 S CA -0.208 58.004 58.200 0.020 0.000 1.061 654 S CB -0.052 63.165 63.200 0.028 0.000 0.812 654 S HN 0.557 nan 8.310 nan 0.000 0.500 655 L N 3.257 124.482 121.223 0.002 0.000 2.240 655 L HA 0.168 4.536 4.340 0.046 0.000 0.211 655 L C 1.170 178.019 176.870 -0.034 0.000 1.106 655 L CA 0.438 55.266 54.840 -0.020 0.000 0.793 655 L CB -0.235 41.821 42.059 -0.005 0.000 0.927 655 L HN 0.632 nan 8.230 nan 0.000 0.446 656 N N -1.004 117.687 118.700 -0.015 0.000 2.699 656 N HA 0.138 4.906 4.740 0.046 0.000 0.271 656 N C -2.402 173.108 175.510 0.000 0.000 1.216 656 N CA -1.033 52.008 53.050 -0.015 0.000 0.844 656 N CB 1.711 40.189 38.487 -0.015 0.000 1.462 656 N HN -0.288 nan 8.380 nan 0.000 0.555 657 P HA 0.030 nan 4.420 nan 0.000 0.221 657 P C 1.033 178.336 177.300 0.005 0.000 1.150 657 P CA 0.803 63.906 63.100 0.006 0.000 0.800 657 P CB 0.407 32.106 31.700 -0.002 0.000 0.787 658 A N -0.141 122.681 122.820 0.002 0.000 1.873 658 A HA -0.113 4.235 4.320 0.046 0.000 0.215 658 A C 2.235 179.828 177.584 0.015 0.000 1.186 658 A CA 1.241 53.281 52.037 0.004 0.000 0.616 658 A CB -1.579 17.426 19.000 0.008 0.000 0.823 658 A HN 0.098 nan 8.150 nan 0.000 0.442 659 L N -0.449 120.789 121.223 0.024 0.000 2.083 659 L HA -0.185 4.183 4.340 0.046 0.000 0.209 659 L C 2.092 178.982 176.870 0.033 0.000 1.083 659 L CA 1.376 56.240 54.840 0.039 0.000 0.752 659 L CB -0.685 41.398 42.059 0.040 0.000 0.899 659 L HN 0.319 nan 8.230 nan 0.000 0.433 660 D N 0.245 120.662 120.400 0.028 0.000 2.097 660 D HA -0.168 4.500 4.640 0.046 0.000 0.195 660 D C 2.308 178.621 176.300 0.023 0.000 0.989 660 D CA 1.124 55.146 54.000 0.036 0.000 0.827 660 D CB -0.058 40.775 40.800 0.055 0.000 0.966 660 D HN 0.170 nan 8.370 nan 0.000 0.456 661 I N 1.069 121.644 120.570 0.008 0.000 2.208 661 I HA -0.190 4.008 4.170 0.046 0.000 0.245 661 I C 2.467 178.560 176.117 -0.040 0.000 1.097 661 I CA 1.432 62.718 61.300 -0.024 0.000 1.363 661 I CB -1.209 36.764 38.000 -0.044 0.000 1.051 661 I HN 0.024 nan 8.210 nan 0.000 0.413 662 G N -0.032 108.758 108.800 -0.017 0.000 2.432 662 G HA2 -0.219 3.768 3.960 0.046 0.000 0.219 662 G HA3 -0.219 3.768 3.960 0.046 0.000 0.219 662 G C 1.570 176.484 174.900 0.023 0.000 1.135 662 G CA 0.189 45.286 45.100 -0.006 0.000 0.767 662 G HN 0.331 nan 8.290 nan 0.000 0.550 663 Q N 0.141 119.960 119.800 0.032 0.000 2.079 663 Q HA 0.022 4.390 4.340 0.046 0.000 0.200 663 Q C 2.725 178.747 176.000 0.036 0.000 0.974 663 Q CA 0.717 56.550 55.803 0.049 0.000 0.840 663 Q CB -0.264 28.496 28.738 0.037 0.000 0.898 663 Q HN 0.566 nan 8.270 nan 0.000 0.430 664 I N 0.844 121.409 120.570 -0.009 0.000 2.127 664 I HA -0.294 3.904 4.170 0.046 0.000 0.241 664 I C 2.253 178.399 176.117 0.048 0.000 1.075 664 I CA 1.305 62.581 61.300 -0.039 0.000 1.334 664 I CB -0.221 37.733 38.000 -0.078 0.000 1.040 664 I HN 0.233 nan 8.210 nan 0.000 0.405 665 E N 0.518 120.719 120.200 0.003 0.000 2.058 665 E HA -0.206 4.171 4.350 0.046 0.000 0.194 665 E C 2.267 178.990 176.600 0.205 0.000 0.997 665 E CA 1.388 57.812 56.400 0.040 0.000 0.801 665 E CB -0.375 29.183 29.700 -0.235 0.000 0.746 665 E HN 0.609 nan 8.360 nan 0.000 0.450 666 G N 0.557 109.435 108.800 0.130 0.000 2.408 666 G HA2 -0.194 3.793 3.960 0.046 0.000 0.217 666 G HA3 -0.194 3.793 3.960 0.046 0.000 0.217 666 G C 1.630 176.638 174.900 0.180 0.000 1.150 666 G CA 0.720 45.915 45.100 0.159 0.000 0.776 666 G HN 0.346 nan 8.290 nan 0.000 0.542 667 A N -0.026 122.899 122.820 0.175 0.000 1.930 667 A HA 0.007 4.354 4.320 0.046 0.000 0.217 667 A C 2.135 179.791 177.584 0.120 0.000 1.175 667 A CA 1.579 53.732 52.037 0.194 0.000 0.627 667 A CB -0.658 18.444 19.000 0.171 0.000 0.815 667 A HN 0.439 nan 8.150 nan 0.000 0.443 668 Y N 0.699 121.015 120.300 0.027 0.000 2.081 668 Y HA -0.243 4.334 4.550 0.045 0.000 0.280 668 Y C 2.369 178.238 175.900 -0.053 0.000 1.163 668 Y CA 2.278 60.366 58.100 -0.019 0.000 1.135 668 Y CB -0.492 38.021 38.460 0.088 0.000 0.970 668 Y HN 0.061 nan 8.280 nan 0.000 0.498 669 V N 0.562 120.554 119.914 0.130 0.000 2.490 669 V HA -0.327 3.821 4.120 0.046 0.000 0.250 669 V C 2.350 178.376 176.094 -0.113 0.000 1.061 669 V CA 2.235 64.519 62.300 -0.026 0.000 1.064 669 V CB -0.671 31.207 31.823 0.092 0.000 0.670 669 V HN 0.499 nan 8.190 nan 0.000 0.461 670 Q N -0.306 119.469 119.800 -0.043 0.000 2.119 670 Q HA -0.121 4.247 4.340 0.046 0.000 0.201 670 Q C 2.262 178.171 176.000 -0.151 0.000 0.972 670 Q CA 1.616 57.420 55.803 0.001 0.000 0.847 670 Q CB -0.312 28.532 28.738 0.176 0.000 0.903 670 Q HN 0.693 nan 8.270 nan 0.000 0.433 671 G N 0.011 108.482 108.800 -0.547 0.000 2.394 671 G HA2 -0.195 3.793 3.960 0.046 0.000 0.214 671 G HA3 -0.195 3.793 3.960 0.046 0.000 0.214 671 G C 1.411 176.053 174.900 -0.430 0.000 1.176 671 G CA 0.686 45.207 45.100 -0.964 0.000 0.786 671 G HN 0.443 nan 8.290 nan 0.000 0.533 672 A N 0.923 123.443 122.820 -0.498 0.000 1.933 672 A HA 0.160 4.507 4.320 0.046 0.000 0.218 672 A C 2.665 180.117 177.584 -0.220 0.000 1.175 672 A CA 2.033 53.839 52.037 -0.386 0.000 0.628 672 A CB -1.009 17.674 19.000 -0.528 0.000 0.814 672 A HN 0.509 nan 8.150 nan 0.000 0.444 673 G N -1.291 107.404 108.800 -0.175 0.000 2.446 673 G HA2 -0.318 3.670 3.960 0.046 0.000 0.217 673 G HA3 -0.318 3.670 3.960 0.046 0.000 0.217 673 G C 1.346 176.231 174.900 -0.025 0.000 1.168 673 G CA 1.157 46.196 45.100 -0.103 0.000 0.771 673 G HN 0.701 nan 8.290 nan 0.000 0.551 674 W N 1.094 122.265 121.300 -0.215 0.000 2.331 674 W HA 0.031 4.719 4.660 0.047 0.000 0.291 674 W C 1.652 178.069 176.519 -0.171 0.000 1.214 674 W CA 0.976 58.213 57.345 -0.180 0.000 1.228 674 W CB -0.192 29.165 29.460 -0.171 0.000 1.135 674 W HN 0.122 nan 8.180 nan 0.000 0.537 675 L N 0.670 121.707 121.223 -0.309 0.000 2.769 675 L HA 0.169 4.537 4.340 0.046 0.000 0.240 675 L C 1.568 178.333 176.870 -0.175 0.000 1.163 675 L CA 0.853 55.405 54.840 -0.481 0.000 0.962 675 L CB -0.554 41.200 42.059 -0.509 0.000 1.258 675 L HN 0.058 nan 8.230 nan 0.000 0.513 676 T N -6.171 108.299 114.554 -0.140 0.000 3.451 676 T HA -0.045 4.332 4.350 0.046 0.000 0.201 676 T C 1.489 176.123 174.700 -0.110 0.000 0.965 676 T CA 0.734 62.779 62.100 -0.092 0.000 1.088 676 T CB -0.132 68.681 68.868 -0.092 0.000 1.251 676 T HN 0.038 nan 8.240 nan 0.000 0.325 677 T N 0.061 114.534 114.554 -0.135 0.000 3.065 677 T HA 0.293 4.670 4.350 0.046 0.000 0.252 677 T C 0.427 174.992 174.700 -0.226 0.000 1.099 677 T CA -0.110 61.893 62.100 -0.161 0.000 1.063 677 T CB -0.439 68.324 68.868 -0.175 0.000 0.948 677 T HN 0.534 nan 8.240 nan 0.000 0.506 678 E N 1.847 121.915 120.200 -0.221 0.000 2.223 678 E HA 0.376 4.753 4.350 0.046 0.000 0.282 678 E C -0.429 176.079 176.600 -0.152 0.000 1.046 678 E CA -0.158 56.035 56.400 -0.345 0.000 0.857 678 E CB 0.808 30.365 29.700 -0.239 0.000 1.055 678 E HN 0.536 nan 8.360 nan 0.000 0.409 679 E N 4.336 124.443 120.200 -0.154 0.000 2.278 679 E HA 0.264 4.642 4.350 0.046 0.000 0.272 679 E C -1.402 175.283 176.600 0.141 0.000 0.890 679 E CA -0.542 55.877 56.400 0.031 0.000 0.770 679 E CB 1.051 30.739 29.700 -0.021 0.000 1.212 679 E HN 0.385 nan 8.360 nan 0.000 0.415 680 L N 3.800 125.096 121.223 0.122 0.000 2.325 680 L HA 0.611 4.978 4.340 0.046 0.000 0.279 680 L C -0.782 176.007 176.870 -0.134 0.000 1.054 680 L CA -0.913 53.886 54.840 -0.069 0.000 0.804 680 L CB 1.687 43.645 42.059 -0.170 0.000 1.200 680 L HN 0.370 nan 8.230 nan 0.000 0.436 681 V N 1.332 121.061 119.914 -0.307 0.000 2.686 681 V HA 0.452 4.600 4.120 0.046 0.000 0.306 681 V C -0.960 174.971 176.094 -0.272 0.000 1.065 681 V CA -0.737 61.488 62.300 -0.126 0.000 0.894 681 V CB 2.305 34.114 31.823 -0.022 0.000 1.004 681 V HN 0.614 nan 8.190 nan 0.000 0.424 682 W N 2.407 123.727 121.300 0.034 0.000 2.706 682 W HA 0.477 5.164 4.660 0.045 0.000 0.346 682 W C -0.310 176.213 176.519 0.007 0.000 1.071 682 W CA -0.423 56.929 57.345 0.012 0.000 1.206 682 W CB 2.347 31.809 29.460 0.003 0.000 1.413 682 W HN 0.797 nan 8.180 nan 0.000 0.542 683 D N -0.355 120.164 120.400 0.198 0.000 2.506 683 D HA -0.014 4.654 4.640 0.046 0.000 0.272 683 D C 1.534 177.853 176.300 0.031 0.000 1.214 683 D CA 0.070 54.128 54.000 0.096 0.000 1.067 683 D CB 0.028 40.833 40.800 0.007 0.000 1.117 683 D HN 0.507 nan 8.370 nan 0.000 0.578 684 H N -1.168 117.945 119.070 0.072 0.000 2.457 684 H HA -0.034 4.550 4.556 0.046 0.000 0.294 684 H C 1.013 176.362 175.328 0.036 0.000 1.064 684 H CA 0.676 56.754 56.048 0.049 0.000 1.330 684 H CB -0.828 28.952 29.762 0.030 0.000 1.395 684 H HN 0.274 nan 8.280 nan 0.000 0.541 685 C N 1.012 119.960 119.300 -0.586 0.000 2.625 685 C HA 0.420 4.908 4.460 0.046 0.000 0.285 685 C C 1.896 176.800 174.990 -0.142 0.000 1.279 685 C CA 0.462 59.297 59.018 -0.304 0.000 1.698 685 C CB -0.749 26.765 27.740 -0.377 0.000 1.821 685 C HN 0.942 nan 8.230 nan 0.000 0.600 686 G N 1.055 109.820 108.800 -0.059 0.000 2.194 686 G HA2 -0.202 3.786 3.960 0.046 0.000 0.236 686 G HA3 -0.202 3.786 3.960 0.046 0.000 0.236 686 G C 0.137 175.164 174.900 0.212 0.000 0.987 686 G CA -0.466 44.660 45.100 0.042 0.000 0.635 686 G HN 0.568 nan 8.290 nan 0.000 0.520 687 R N -0.046 120.517 120.500 0.104 0.000 2.491 687 R HA 0.457 4.825 4.340 0.046 0.000 0.283 687 R C 0.249 176.620 176.300 0.119 0.000 1.072 687 R CA -0.689 55.461 56.100 0.084 0.000 1.048 687 R CB 0.967 31.236 30.300 -0.051 0.000 0.983 687 R HN 0.218 nan 8.270 nan 0.000 0.450 688 L N 3.831 125.052 121.223 -0.003 0.000 2.418 688 L HA 0.012 4.380 4.340 0.046 0.000 0.274 688 L C 0.675 177.398 176.870 -0.245 0.000 1.135 688 L CA 0.597 55.215 54.840 -0.370 0.000 0.870 688 L CB 0.765 42.637 42.059 -0.310 0.000 1.154 688 L HN 0.693 nan 8.230 nan 0.000 0.462 689 M N 2.280 121.755 119.600 -0.208 0.000 2.486 689 M HA 0.114 4.622 4.480 0.046 0.000 0.264 689 M C 0.792 177.144 176.300 0.087 0.000 1.125 689 M CA 0.547 55.830 55.300 -0.029 0.000 1.144 689 M CB -1.157 31.437 32.600 -0.011 0.000 1.353 689 M HN 0.691 nan 8.290 nan 0.000 0.466 690 T N 0.205 114.738 114.554 -0.035 0.000 2.891 690 T HA 0.350 4.727 4.350 0.046 0.000 0.315 690 T C 0.133 174.862 174.700 0.049 0.000 1.054 690 T CA -0.537 61.577 62.100 0.023 0.000 0.958 690 T CB -0.380 68.492 68.868 0.005 0.000 1.008 690 T HN 0.479 nan 8.240 nan 0.000 0.521 691 H N 1.159 120.197 119.070 -0.053 0.000 2.924 691 H HA 0.642 5.225 4.556 0.045 0.000 0.229 691 H C -0.734 174.609 175.328 0.026 0.000 1.345 691 H CA -0.811 55.210 56.048 -0.044 0.000 1.044 691 H CB -0.386 29.343 29.762 -0.056 0.000 2.221 691 H HN 0.846 nan 8.280 nan 0.000 0.574 692 A N 1.005 123.757 122.820 -0.114 0.000 2.586 692 A HA 0.411 4.758 4.320 0.046 0.000 0.296 692 A C -2.648 174.964 177.584 0.046 0.000 1.040 692 A CA -1.068 50.927 52.037 -0.071 0.000 0.701 692 A CB 1.018 19.862 19.000 -0.259 0.000 1.277 692 A HN 0.014 nan 8.150 nan 0.000 0.413 693 P HA -0.142 nan 4.420 nan 0.000 0.221 693 P C 1.477 178.761 177.300 -0.027 0.000 1.145 693 P CA 2.170 65.287 63.100 0.029 0.000 0.795 693 P CB 0.162 31.927 31.700 0.107 0.000 0.775 694 S N -2.128 113.559 115.700 -0.021 0.000 2.522 694 S HA -0.029 4.469 4.470 0.046 0.000 0.227 694 S C 1.475 176.049 174.600 -0.042 0.000 0.986 694 S CA 1.298 59.476 58.200 -0.036 0.000 0.929 694 S CB -1.316 61.865 63.200 -0.031 0.000 0.769 694 S HN 0.271 nan 8.310 nan 0.000 0.529 695 T N -3.288 111.245 114.554 -0.034 0.000 3.004 695 T HA 0.296 4.673 4.350 0.046 0.000 0.266 695 T C -0.254 174.454 174.700 0.013 0.000 0.986 695 T CA -0.454 61.634 62.100 -0.020 0.000 0.902 695 T CB -0.347 68.513 68.868 -0.013 0.000 1.118 695 T HN 0.391 nan 8.240 nan 0.000 0.522 696 Y N 1.951 122.184 120.300 -0.113 0.000 2.328 696 Y HA 0.649 5.227 4.550 0.046 0.000 0.336 696 Y C -1.221 174.561 175.900 -0.198 0.000 0.960 696 Y CA -1.284 56.739 58.100 -0.129 0.000 1.134 696 Y CB 1.226 39.625 38.460 -0.101 0.000 1.166 696 Y HN -0.237 nan 8.280 nan 0.000 0.464 697 K N 8.123 128.160 120.400 -0.604 0.000 2.354 697 K HA 0.309 4.656 4.320 0.046 0.000 0.257 697 K C -0.553 175.760 176.600 -0.478 0.000 1.062 697 K CA -0.428 55.598 56.287 -0.435 0.000 0.971 697 K CB -0.160 32.159 32.500 -0.301 0.000 1.305 697 K HN 0.772 nan 8.250 nan 0.000 0.449 698 I N -0.846 119.469 120.570 -0.426 0.000 2.886 698 I HA 0.469 4.666 4.170 0.046 0.000 0.299 698 I C -1.851 174.151 176.117 -0.192 0.000 1.044 698 I CA -2.433 58.691 61.300 -0.293 0.000 1.310 698 I CB 0.283 38.130 38.000 -0.256 0.000 1.441 698 I HN 0.240 nan 8.210 nan 0.000 0.578 699 P HA 0.117 nan 4.420 nan 0.000 0.262 699 P C -0.772 176.490 177.300 -0.063 0.000 1.182 699 P CA 0.198 63.240 63.100 -0.096 0.000 0.761 699 P CB 0.549 32.200 31.700 -0.082 0.000 0.795 700 A N 2.808 125.605 122.820 -0.039 0.000 2.282 700 A HA 0.432 4.779 4.320 0.046 0.000 0.324 700 A C 0.877 178.501 177.584 0.067 0.000 1.119 700 A CA -0.603 51.447 52.037 0.021 0.000 0.880 700 A CB 0.032 19.045 19.000 0.022 0.000 1.294 700 A HN 0.511 nan 8.150 nan 0.000 0.493 701 F N 1.209 121.161 119.950 0.002 0.000 2.063 701 F HA -0.292 4.263 4.527 0.045 0.000 0.298 701 F C 2.641 178.450 175.800 0.014 0.000 1.109 701 F CA 3.109 61.120 58.000 0.018 0.000 1.212 701 F CB 0.039 39.051 39.000 0.020 0.000 0.973 701 F HN 0.529 nan 8.300 nan 0.000 0.480 702 S N -0.980 114.884 115.700 0.273 0.000 2.515 702 S HA -0.124 4.374 4.470 0.046 0.000 0.231 702 S C 1.308 175.934 174.600 0.043 0.000 0.987 702 S CA 0.882 59.182 58.200 0.166 0.000 0.936 702 S CB -0.538 62.739 63.200 0.128 0.000 0.766 702 S HN 0.409 nan 8.310 nan 0.000 0.528 703 D N 2.364 122.766 120.400 0.005 0.000 2.378 703 D HA -0.052 4.615 4.640 0.046 0.000 0.222 703 D C 0.986 177.243 176.300 -0.071 0.000 0.980 703 D CA 0.457 54.433 54.000 -0.041 0.000 0.907 703 D CB -0.295 40.470 40.800 -0.057 0.000 0.899 703 D HN 0.727 nan 8.370 nan 0.000 0.527 704 R N 1.164 121.610 120.500 -0.090 0.000 2.734 704 R HA 0.269 4.636 4.340 0.046 0.000 0.266 704 R C -2.587 173.642 176.300 -0.119 0.000 1.044 704 R CA -1.141 54.896 56.100 -0.106 0.000 1.128 704 R CB -0.723 29.511 30.300 -0.111 0.000 1.010 704 R HN -0.205 nan 8.270 nan 0.000 0.461 705 P HA -0.004 nan 4.420 nan 0.000 0.265 705 P C -0.027 177.210 177.300 -0.105 0.000 1.193 705 P CA -0.214 62.738 63.100 -0.247 0.000 0.765 705 P CB 0.617 31.965 31.700 -0.586 0.000 0.823 706 R N 2.356 122.821 120.500 -0.058 0.000 2.092 706 R HA 0.080 4.448 4.340 0.046 0.000 0.231 706 R C 0.733 177.045 176.300 0.021 0.000 1.119 706 R CA 1.087 57.184 56.100 -0.004 0.000 0.970 706 R CB -0.446 29.849 30.300 -0.008 0.000 0.864 706 R HN 0.511 nan 8.270 nan 0.000 0.440 707 I N 0.482 121.051 120.570 -0.001 0.000 2.355 707 I HA 0.238 4.435 4.170 0.046 0.000 0.288 707 I C -0.713 175.443 176.117 0.065 0.000 0.999 707 I CA -0.353 60.970 61.300 0.038 0.000 1.163 707 I CB 1.496 39.506 38.000 0.016 0.000 1.316 707 I HN -0.128 nan 8.210 nan 0.000 0.454 708 F N 6.572 126.485 119.950 -0.062 0.000 2.552 708 F HA 0.417 4.972 4.527 0.046 0.000 0.369 708 F C -0.369 175.379 175.800 -0.088 0.000 1.112 708 F CA -0.972 56.969 58.000 -0.098 0.000 1.129 708 F CB 0.662 39.609 39.000 -0.089 0.000 1.360 708 F HN 0.472 nan 8.300 nan 0.000 0.473 709 N N 4.990 123.804 118.700 0.191 0.000 2.426 709 N HA 0.354 5.122 4.740 0.046 0.000 0.257 709 N C -0.899 174.634 175.510 0.039 0.000 1.002 709 N CA -0.200 52.890 53.050 0.067 0.000 0.942 709 N CB 2.390 40.901 38.487 0.039 0.000 1.112 709 N HN 0.162 nan 8.380 nan 0.000 0.499 710 V N 0.563 120.458 119.914 -0.031 0.000 2.604 710 V HA 0.901 5.049 4.120 0.046 0.000 0.305 710 V C -0.030 176.060 176.094 -0.006 0.000 1.043 710 V CA -0.880 61.401 62.300 -0.032 0.000 0.888 710 V CB 1.501 33.254 31.823 -0.116 0.000 0.995 710 V HN 0.779 nan 8.190 nan 0.000 0.429 711 A N 4.160 127.002 122.820 0.036 0.000 2.556 711 A HA 0.925 5.273 4.320 0.046 0.000 0.294 711 A C -1.368 176.280 177.584 0.107 0.000 1.091 711 A CA -0.656 51.414 52.037 0.055 0.000 0.704 711 A CB 1.567 20.601 19.000 0.057 0.000 1.300 711 A HN 0.743 nan 8.150 nan 0.000 0.406 712 L N 1.265 122.553 121.223 0.108 0.000 2.334 712 L HA 0.430 4.797 4.340 0.046 0.000 0.275 712 L C -0.262 176.728 176.870 0.202 0.000 1.036 712 L CA -0.544 54.391 54.840 0.159 0.000 0.807 712 L CB 1.488 43.614 42.059 0.110 0.000 1.231 712 L HN 0.833 nan 8.230 nan 0.000 0.438 713 W N 3.499 124.804 121.300 0.008 0.000 2.322 713 W HA 0.190 4.877 4.660 0.045 0.000 0.307 713 W C -1.041 175.472 176.519 -0.010 0.000 1.220 713 W CA -0.205 57.135 57.345 -0.010 0.000 1.210 713 W CB 1.511 30.954 29.460 -0.027 0.000 1.223 713 W HN 0.480 nan 8.180 nan 0.000 0.511 714 D N 5.067 125.266 120.400 -0.335 0.000 2.477 714 D HA 0.213 4.881 4.640 0.046 0.000 0.239 714 D C -0.819 175.257 176.300 -0.373 0.000 1.102 714 D CA 0.180 54.035 54.000 -0.242 0.000 0.901 714 D CB 0.599 41.299 40.800 -0.167 0.000 1.026 714 D HN 0.331 nan 8.370 nan 0.000 0.515 715 Q N 2.996 122.644 119.800 -0.252 0.000 2.271 715 Q HA 0.346 4.714 4.340 0.046 0.000 0.268 715 Q C -2.469 173.522 176.000 -0.016 0.000 1.021 715 Q CA -1.966 53.741 55.803 -0.160 0.000 0.802 715 Q CB 2.695 31.352 28.738 -0.136 0.000 1.282 715 Q HN 0.254 nan 8.270 nan 0.000 0.431 716 P HA -0.068 nan 4.420 nan 0.000 0.269 716 P C -0.540 176.758 177.300 -0.004 0.000 1.217 716 P CA -0.159 62.934 63.100 -0.013 0.000 0.783 716 P CB 0.566 32.256 31.700 -0.016 0.000 0.898 717 N N 1.347 120.019 118.700 -0.047 0.000 2.530 717 N HA 0.072 4.840 4.740 0.046 0.000 0.277 717 N C 1.066 176.540 175.510 -0.060 0.000 1.168 717 N CA -0.068 52.925 53.050 -0.095 0.000 0.979 717 N CB 0.507 38.825 38.487 -0.281 0.000 1.141 717 N HN 0.198 nan 8.380 nan 0.000 0.459 718 R N 0.727 121.212 120.500 -0.025 0.000 2.090 718 R HA 0.026 4.394 4.340 0.046 0.000 0.228 718 R C 0.031 176.322 176.300 -0.014 0.000 1.110 718 R CA 0.694 56.796 56.100 0.003 0.000 0.973 718 R CB 0.053 30.379 30.300 0.044 0.000 0.869 718 R HN 0.632 nan 8.270 nan 0.000 0.440 719 E N 1.367 121.543 120.200 -0.041 0.000 2.374 719 E HA 0.010 4.388 4.350 0.046 0.000 0.260 719 E C -0.476 176.087 176.600 -0.062 0.000 1.101 719 E CA 0.153 56.535 56.400 -0.029 0.000 0.907 719 E CB 0.607 30.309 29.700 0.005 0.000 1.014 719 E HN 0.152 nan 8.360 nan 0.000 0.427 720 E N 1.418 121.603 120.200 -0.025 0.000 1.852 720 E HA 0.066 4.443 4.350 0.046 0.000 0.276 720 E C -0.108 176.453 176.600 -0.064 0.000 1.163 720 E CA -0.132 56.243 56.400 -0.042 0.000 1.117 720 E CB -0.005 29.688 29.700 -0.012 0.000 1.124 720 E HN 0.357 nan 8.360 nan 0.000 0.458 721 T N -1.038 113.443 114.554 -0.121 0.000 2.936 721 T HA 0.347 4.724 4.350 0.046 0.000 0.282 721 T C 0.369 174.953 174.700 -0.193 0.000 1.003 721 T CA -1.034 60.978 62.100 -0.147 0.000 1.005 721 T CB 1.161 69.921 68.868 -0.179 0.000 1.097 721 T HN 0.171 nan 8.240 nan 0.000 0.532 722 I N 2.291 122.724 120.570 -0.228 0.000 2.872 722 I HA 0.125 4.323 4.170 0.046 0.000 0.287 722 I C 0.049 176.095 176.117 -0.119 0.000 1.197 722 I CA -0.570 60.563 61.300 -0.278 0.000 1.390 722 I CB -1.659 36.210 38.000 -0.218 0.000 1.400 722 I HN 0.754 nan 8.210 nan 0.000 0.544 723 F N 6.579 126.474 119.950 -0.092 0.000 3.097 723 F HA -0.341 4.213 4.527 0.045 0.000 0.278 723 F C 1.200 176.955 175.800 -0.075 0.000 0.917 723 F CA 0.851 58.807 58.000 -0.073 0.000 0.962 723 F CB -1.406 37.555 39.000 -0.065 0.000 0.964 723 F HN 0.664 nan 8.300 nan 0.000 0.668 724 R N -1.872 118.625 120.500 -0.005 0.000 3.641 724 R HA -0.202 4.165 4.340 0.046 0.000 0.286 724 R C 0.646 176.919 176.300 -0.045 0.000 1.153 724 R CA 0.911 56.984 56.100 -0.044 0.000 0.775 724 R CB -2.369 27.920 30.300 -0.018 0.000 1.215 724 R HN 0.595 nan 8.270 nan 0.000 0.474 725 S N -0.191 115.489 115.700 -0.033 0.000 2.686 725 S HA 0.672 5.169 4.470 0.046 0.000 0.270 725 S C 0.159 174.710 174.600 -0.081 0.000 1.194 725 S CA -0.615 57.572 58.200 -0.022 0.000 0.990 725 S CB 2.416 65.627 63.200 0.019 0.000 1.029 725 S HN 0.250 nan 8.310 nan 0.000 0.560 726 K N -0.322 120.072 120.400 -0.010 0.000 2.469 726 K HA 0.639 4.986 4.320 0.046 0.000 0.254 726 K C -0.811 175.876 176.600 0.144 0.000 0.939 726 K CA -0.808 55.513 56.287 0.057 0.000 0.812 726 K CB 2.185 34.751 32.500 0.108 0.000 1.301 726 K HN 0.855 nan 8.250 nan 0.000 0.433 727 A N 1.183 124.136 122.820 0.222 0.000 2.540 727 A HA 0.120 4.468 4.320 0.046 0.000 0.239 727 A C 0.486 178.128 177.584 0.097 0.000 1.061 727 A CA 0.036 52.141 52.037 0.114 0.000 0.758 727 A CB 0.428 19.472 19.000 0.073 0.000 0.991 727 A HN 0.508 nan 8.150 nan 0.000 0.502 728 V N 2.826 122.775 119.914 0.059 0.000 3.252 728 V HA 0.271 4.418 4.120 0.046 0.000 0.320 728 V C 1.468 177.562 176.094 0.000 0.000 1.459 728 V CA 1.004 63.349 62.300 0.077 0.000 1.095 728 V CB 0.023 31.910 31.823 0.108 0.000 0.997 728 V HN 1.084 nan 8.190 nan 0.000 0.469 729 G N -0.158 108.620 108.800 -0.037 0.000 2.396 729 G HA2 -0.093 3.894 3.960 0.046 0.000 0.214 729 G HA3 -0.093 3.894 3.960 0.046 0.000 0.214 729 G C 1.216 176.057 174.900 -0.097 0.000 1.166 729 G CA 1.035 46.104 45.100 -0.052 0.000 0.793 729 G HN 0.559 nan 8.290 nan 0.000 0.533 730 E N 0.258 120.321 120.200 -0.228 0.000 2.132 730 E HA 0.014 4.392 4.350 0.046 0.000 0.193 730 E C -0.285 175.984 176.600 -0.553 0.000 0.951 730 E CA -0.002 56.178 56.400 -0.368 0.000 0.843 730 E CB -0.041 29.375 29.700 -0.474 0.000 0.807 730 E HN 0.201 nan 8.360 nan 0.000 0.467 731 P HA -0.184 nan 4.420 nan 0.000 0.217 731 P C -1.709 175.461 177.300 -0.218 0.000 1.158 731 P CA 2.236 64.972 63.100 -0.605 0.000 0.887 731 P CB -1.001 30.590 31.700 -0.183 0.000 0.792 732 P HA -0.144 nan 4.420 nan 0.000 0.222 732 P C 1.410 178.697 177.300 -0.021 0.000 1.147 732 P CA 0.896 63.846 63.100 -0.248 0.000 0.790 732 P CB -0.696 30.806 31.700 -0.331 0.000 0.780 733 F N 0.511 120.377 119.950 -0.139 0.000 2.250 733 F HA -0.154 4.400 4.527 0.046 0.000 0.301 733 F C 1.461 177.233 175.800 -0.046 0.000 1.077 733 F CA 1.140 59.092 58.000 -0.080 0.000 1.348 733 F CB -0.530 38.405 39.000 -0.108 0.000 1.040 733 F HN -0.247 nan 8.300 nan 0.000 0.509 734 L N 0.097 121.403 121.223 0.138 0.000 2.552 734 L HA -0.059 4.309 4.340 0.046 0.000 0.227 734 L C 1.741 178.634 176.870 0.038 0.000 1.146 734 L CA 0.900 55.808 54.840 0.113 0.000 0.858 734 L CB -0.811 41.350 42.059 0.169 0.000 0.969 734 L HN 0.182 nan 8.230 nan 0.000 0.451 735 L N -1.066 120.177 121.223 0.034 0.000 2.465 735 L HA -0.001 4.367 4.340 0.046 0.000 0.224 735 L C 2.401 179.315 176.870 0.073 0.000 1.145 735 L CA 0.826 55.734 54.840 0.114 0.000 0.834 735 L CB -0.884 41.297 42.059 0.204 0.000 0.944 735 L HN 0.331 nan 8.230 nan 0.000 0.451 736 G N 0.123 108.817 108.800 -0.177 0.000 2.509 736 G HA2 -0.150 3.837 3.960 0.046 0.000 0.218 736 G HA3 -0.150 3.837 3.960 0.046 0.000 0.218 736 G C 1.584 176.374 174.900 -0.184 0.000 1.124 736 G CA 0.216 45.068 45.100 -0.413 0.000 0.776 736 G HN 0.318 nan 8.290 nan 0.000 0.547 737 I N 1.972 122.507 120.570 -0.059 0.000 2.248 737 I HA -0.264 3.934 4.170 0.046 0.000 0.248 737 I C 3.108 179.277 176.117 0.086 0.000 1.107 737 I CA 1.498 62.812 61.300 0.022 0.000 1.373 737 I CB -0.179 37.865 38.000 0.074 0.000 1.055 737 I HN 0.345 nan 8.210 nan 0.000 0.418 738 S N 1.123 116.876 115.700 0.089 0.000 2.440 738 S HA -0.175 4.323 4.470 0.046 0.000 0.238 738 S C 2.075 176.732 174.600 0.093 0.000 1.010 738 S CA 1.000 59.268 58.200 0.112 0.000 0.972 738 S CB -0.411 62.868 63.200 0.132 0.000 0.774 738 S HN 0.442 nan 8.310 nan 0.000 0.501 739 A N 0.520 123.369 122.820 0.048 0.000 1.970 739 A HA 0.247 4.595 4.320 0.046 0.000 0.216 739 A C 1.832 179.444 177.584 0.047 0.000 1.170 739 A CA 0.795 52.845 52.037 0.020 0.000 0.645 739 A CB -0.847 18.108 19.000 -0.075 0.000 0.816 739 A HN 0.574 nan 8.150 nan 0.000 0.447 740 F N 0.228 120.118 119.950 -0.100 0.000 2.146 740 F HA -0.079 4.475 4.527 0.046 0.000 0.298 740 F C 1.737 177.513 175.800 -0.041 0.000 1.096 740 F CA 1.093 59.034 58.000 -0.099 0.000 1.275 740 F CB -0.137 38.780 39.000 -0.138 0.000 1.008 740 F HN 0.130 nan 8.300 nan 0.000 0.480 741 L N 0.457 121.743 121.223 0.106 0.000 2.079 741 L HA -0.148 4.220 4.340 0.046 0.000 0.210 741 L C 2.653 179.534 176.870 0.017 0.000 1.081 741 L CA 1.847 56.706 54.840 0.031 0.000 0.752 741 L CB -1.929 40.190 42.059 0.101 0.000 0.896 741 L HN 0.272 nan 8.230 nan 0.000 0.433 742 A N -1.284 121.544 122.820 0.013 0.000 1.873 742 A HA -0.144 4.204 4.320 0.046 0.000 0.215 742 A C 2.135 179.676 177.584 -0.073 0.000 1.186 742 A CA 1.055 53.091 52.037 -0.002 0.000 0.616 742 A CB -0.681 18.326 19.000 0.012 0.000 0.823 742 A HN 0.279 nan 8.150 nan 0.000 0.442 743 L N -0.002 121.146 121.223 -0.126 0.000 2.051 743 L HA -0.241 4.126 4.340 0.046 0.000 0.214 743 L C 2.372 179.101 176.870 -0.234 0.000 1.076 743 L CA 2.612 57.341 54.840 -0.184 0.000 0.758 743 L CB -1.524 40.395 42.059 -0.234 0.000 0.890 743 L HN 0.806 nan 8.230 nan 0.000 0.433 744 H N -1.719 117.121 119.070 -0.383 0.000 2.428 744 H HA -0.133 4.450 4.556 0.046 0.000 0.296 744 H C 1.974 177.172 175.328 -0.216 0.000 1.062 744 H CA 1.580 57.401 56.048 -0.379 0.000 1.350 744 H CB 0.010 29.476 29.762 -0.493 0.000 1.403 744 H HN 0.339 nan 8.280 nan 0.000 0.533 745 D N 0.013 120.305 120.400 -0.179 0.000 2.178 745 D HA -0.116 4.552 4.640 0.046 0.000 0.201 745 D C 2.119 178.306 176.300 -0.188 0.000 0.980 745 D CA 1.295 55.205 54.000 -0.149 0.000 0.842 745 D CB -0.269 40.530 40.800 -0.002 0.000 0.948 745 D HN 0.558 nan 8.370 nan 0.000 0.472 746 A N -0.763 121.953 122.820 -0.173 0.000 1.903 746 A HA -0.045 4.303 4.320 0.046 0.000 0.213 746 A C 2.512 179.999 177.584 -0.162 0.000 1.185 746 A CA 0.932 52.895 52.037 -0.124 0.000 0.628 746 A CB -0.770 18.174 19.000 -0.095 0.000 0.830 746 A HN 0.445 nan 8.150 nan 0.000 0.446 747 C N -0.630 118.524 119.300 -0.243 0.000 2.432 747 C HA 0.021 4.509 4.460 0.046 0.000 0.277 747 C C 3.180 178.022 174.990 -0.246 0.000 1.249 747 C CA 0.834 59.707 59.018 -0.241 0.000 1.725 747 C CB -1.324 26.233 27.740 -0.304 0.000 2.028 747 C HN 0.686 nan 8.230 nan 0.000 0.477 748 A N 0.081 122.681 122.820 -0.367 0.000 2.186 748 A HA 0.148 4.495 4.320 0.046 0.000 0.219 748 A C 2.059 179.560 177.584 -0.138 0.000 1.159 748 A CA 1.723 53.599 52.037 -0.268 0.000 0.680 748 A CB -0.454 18.355 19.000 -0.318 0.000 0.787 748 A HN 0.644 nan 8.150 nan 0.000 0.467 749 A N -2.171 120.577 122.820 -0.120 0.000 2.275 749 A HA 0.207 4.555 4.320 0.046 0.000 0.212 749 A C 1.559 179.110 177.584 -0.055 0.000 1.201 749 A CA 0.818 52.815 52.037 -0.067 0.000 0.843 749 A CB -0.631 18.344 19.000 -0.041 0.000 0.873 749 A HN 0.542 nan 8.150 nan 0.000 0.492 750 C N -0.817 118.442 119.300 -0.068 0.000 2.791 750 C HA 0.542 5.030 4.460 0.046 0.000 0.270 750 C C 1.415 176.377 174.990 -0.046 0.000 1.257 750 C CA 0.167 59.154 59.018 -0.051 0.000 1.699 750 C CB -1.069 26.639 27.740 -0.054 0.000 1.904 750 C HN 0.726 nan 8.230 nan 0.000 0.603 751 G N 0.386 109.153 108.800 -0.055 0.000 2.430 751 G HA2 0.445 4.433 3.960 0.046 0.000 0.300 751 G HA3 0.445 4.433 3.960 0.046 0.000 0.300 751 G C -2.815 172.028 174.900 -0.096 0.000 1.330 751 G CA -0.219 44.844 45.100 -0.063 0.000 0.813 751 G HN -0.134 nan 8.290 nan 0.000 0.487 752 P HA 0.222 nan 4.420 nan 0.000 0.259 752 P C 0.083 177.241 177.300 -0.236 0.000 1.233 752 P CA 0.180 63.141 63.100 -0.231 0.000 0.827 752 P CB 0.285 31.788 31.700 -0.328 0.000 1.154 753 H N -0.937 118.170 119.070 0.062 0.000 2.505 753 H HA 0.072 4.655 4.556 0.046 0.000 0.355 753 H C -0.059 175.376 175.328 0.177 0.000 1.179 753 H CA -0.749 55.368 56.048 0.115 0.000 1.343 753 H CB 0.464 30.281 29.762 0.091 0.000 1.501 753 H HN 0.171 nan 8.280 nan 0.000 0.569 754 W N 4.188 125.570 121.300 0.137 0.000 2.505 754 W HA -0.003 4.685 4.660 0.046 0.000 0.332 754 W C -1.986 174.554 176.519 0.036 0.000 1.434 754 W CA -1.486 55.891 57.345 0.055 0.000 1.320 754 W CB 0.439 29.921 29.460 0.037 0.000 1.363 754 W HN 0.506 nan 8.180 nan 0.000 0.565 755 P HA -0.163 nan 4.420 nan 0.000 0.223 755 P C 0.005 176.980 177.300 -0.542 0.000 1.151 755 P CA 1.309 64.175 63.100 -0.390 0.000 0.787 755 P CB 0.071 31.522 31.700 -0.414 0.000 0.788 756 D N -1.677 118.043 120.400 -1.134 0.000 2.697 756 D HA -0.171 4.496 4.640 0.046 0.000 0.235 756 D C -0.548 175.531 176.300 -0.369 0.000 1.167 756 D CA 0.193 53.698 54.000 -0.825 0.000 0.656 756 D CB -1.200 39.392 40.800 -0.347 0.000 1.025 756 D HN 0.006 nan 8.370 nan 0.000 0.419 757 L N 1.361 122.351 121.223 -0.389 0.000 2.418 757 L HA 0.208 4.576 4.340 0.046 0.000 0.274 757 L C 0.276 177.181 176.870 0.059 0.000 1.135 757 L CA 0.382 55.106 54.840 -0.193 0.000 0.870 757 L CB 0.776 42.637 42.059 -0.330 0.000 1.154 757 L HN 0.064 nan 8.230 nan 0.000 0.462 758 Q N 3.842 123.730 119.800 0.146 0.000 2.260 758 Q HA 0.611 4.978 4.340 0.046 0.000 0.238 758 Q C -0.489 175.710 176.000 0.332 0.000 0.948 758 Q CA -0.348 55.632 55.803 0.293 0.000 0.895 758 Q CB 1.520 30.358 28.738 0.166 0.000 1.218 758 Q HN 0.808 nan 8.270 nan 0.000 0.470 759 A N 2.979 125.923 122.820 0.206 0.000 2.312 759 A HA 0.622 4.970 4.320 0.046 0.000 0.326 759 A C -2.210 175.303 177.584 -0.117 0.000 1.172 759 A CA -1.541 50.440 52.037 -0.093 0.000 0.821 759 A CB 0.385 19.048 19.000 -0.562 0.000 1.166 759 A HN 0.421 nan 8.150 nan 0.000 0.493 760 P HA 0.221 nan 4.420 nan 0.000 0.276 760 P C -0.097 177.204 177.300 0.002 0.000 1.230 760 P CA 0.066 63.086 63.100 -0.133 0.000 0.776 760 P CB 1.213 32.842 31.700 -0.119 0.000 0.888 761 A N 3.341 126.209 122.820 0.080 0.000 3.046 761 A HA 0.211 4.559 4.320 0.046 0.000 0.259 761 A C 1.125 178.704 177.584 -0.008 0.000 1.843 761 A CA -0.109 51.976 52.037 0.080 0.000 1.451 761 A CB -1.548 17.519 19.000 0.112 0.000 1.025 761 A HN 0.626 nan 8.150 nan 0.000 0.625 762 T N -1.796 112.745 114.554 -0.023 0.000 2.667 762 T HA 0.232 4.609 4.350 0.046 0.000 0.305 762 T C -1.530 173.146 174.700 -0.040 0.000 1.022 762 T CA -0.828 61.247 62.100 -0.042 0.000 0.995 762 T CB 0.004 68.849 68.868 -0.039 0.000 1.026 762 T HN 0.173 nan 8.240 nan 0.000 0.527 763 P HA -0.086 nan 4.420 nan 0.000 0.215 763 P C 1.607 178.886 177.300 -0.034 0.000 1.157 763 P CA 1.341 64.417 63.100 -0.040 0.000 0.868 763 P CB -0.032 31.646 31.700 -0.037 0.000 0.788 764 E N 0.099 120.283 120.200 -0.027 0.000 2.085 764 E HA -0.227 4.150 4.350 0.046 0.000 0.194 764 E C 1.865 178.452 176.600 -0.022 0.000 0.994 764 E CA 1.664 58.051 56.400 -0.021 0.000 0.801 764 E CB -0.772 28.920 29.700 -0.013 0.000 0.743 764 E HN 0.095 nan 8.360 nan 0.000 0.453 765 A N 0.449 123.257 122.820 -0.020 0.000 1.968 765 A HA -0.043 4.304 4.320 0.046 0.000 0.217 765 A C 2.409 179.968 177.584 -0.042 0.000 1.169 765 A CA 1.132 53.158 52.037 -0.018 0.000 0.638 765 A CB -0.425 18.577 19.000 0.002 0.000 0.812 765 A HN 0.236 nan 8.150 nan 0.000 0.446 766 V N -0.153 119.730 119.914 -0.053 0.000 2.515 766 V HA -0.198 3.949 4.120 0.046 0.000 0.250 766 V C 2.441 178.492 176.094 -0.073 0.000 1.058 766 V CA 1.820 64.072 62.300 -0.080 0.000 1.064 766 V CB -0.589 31.185 31.823 -0.081 0.000 0.675 766 V HN 0.602 nan 8.190 nan 0.000 0.461 767 L N 0.855 122.046 121.223 -0.052 0.000 2.109 767 L HA 0.033 4.400 4.340 0.046 0.000 0.207 767 L C 2.380 179.223 176.870 -0.044 0.000 1.086 767 L CA 2.241 57.054 54.840 -0.044 0.000 0.760 767 L CB -0.988 41.052 42.059 -0.032 0.000 0.910 767 L HN 0.204 nan 8.230 nan 0.000 0.437 768 A N -0.420 122.375 122.820 -0.042 0.000 1.898 768 A HA 0.004 4.352 4.320 0.046 0.000 0.216 768 A C 2.407 179.955 177.584 -0.060 0.000 1.181 768 A CA 1.454 53.468 52.037 -0.039 0.000 0.620 768 A CB -1.059 17.926 19.000 -0.026 0.000 0.819 768 A HN 0.521 nan 8.150 nan 0.000 0.442 769 A N -0.803 121.966 122.820 -0.085 0.000 2.067 769 A HA 0.099 4.446 4.320 0.046 0.000 0.219 769 A C 2.124 179.638 177.584 -0.118 0.000 1.158 769 A CA 1.507 53.467 52.037 -0.128 0.000 0.661 769 A CB -0.590 18.297 19.000 -0.187 0.000 0.801 769 A HN 0.331 nan 8.150 nan 0.000 0.452 770 V N 0.145 120.004 119.914 -0.092 0.000 2.453 770 V HA -0.186 3.962 4.120 0.046 0.000 0.247 770 V C 2.598 178.664 176.094 -0.048 0.000 1.048 770 V CA 1.788 64.041 62.300 -0.077 0.000 1.049 770 V CB -0.625 31.160 31.823 -0.064 0.000 0.672 770 V HN 0.549 nan 8.190 nan 0.000 0.457 771 R N -0.106 120.371 120.500 -0.038 0.000 2.092 771 R HA -0.085 4.283 4.340 0.046 0.000 0.231 771 R C 2.394 178.691 176.300 -0.004 0.000 1.119 771 R CA 1.110 57.199 56.100 -0.018 0.000 0.970 771 R CB -0.396 29.894 30.300 -0.018 0.000 0.864 771 R HN 0.451 nan 8.270 nan 0.000 0.440 772 R N 0.519 121.008 120.500 -0.018 0.000 2.115 772 R HA -0.013 4.355 4.340 0.046 0.000 0.230 772 R C 2.261 178.601 176.300 0.066 0.000 1.111 772 R CA 1.215 57.315 56.100 -0.000 0.000 0.976 772 R CB -0.201 30.082 30.300 -0.028 0.000 0.870 772 R HN 0.192 nan 8.270 nan 0.000 0.445 773 A N 0.890 123.729 122.820 0.032 0.000 1.968 773 A HA -0.116 4.232 4.320 0.046 0.000 0.217 773 A C 1.632 179.276 177.584 0.099 0.000 1.169 773 A CA 1.008 53.085 52.037 0.067 0.000 0.638 773 A CB -0.090 18.891 19.000 -0.032 0.000 0.812 773 A HN 0.255 nan 8.150 nan 0.000 0.446 774 E N -1.281 118.956 120.200 0.061 0.000 2.481 774 E HA 0.192 4.569 4.350 0.046 0.000 0.195 774 E C 1.130 177.797 176.600 0.111 0.000 1.047 774 E CA 0.256 56.687 56.400 0.053 0.000 0.867 774 E CB -0.148 29.561 29.700 0.014 0.000 0.858 774 E HN 0.714 nan 8.360 nan 0.000 0.513 775 G N 1.987 110.890 108.800 0.172 0.000 2.168 775 G HA2 -0.359 3.629 3.960 0.046 0.000 0.257 775 G HA3 -0.359 3.629 3.960 0.046 0.000 0.257 775 G C 0.677 175.603 174.900 0.043 0.000 0.997 775 G CA 0.313 45.498 45.100 0.142 0.000 0.708 775 G HN 0.253 nan 8.290 nan 0.000 0.520 776 R N 0.134 120.651 120.500 0.029 0.000 2.423 776 R HA 0.528 4.896 4.340 0.046 0.000 0.248 776 R C 1.172 177.470 176.300 -0.003 0.000 1.019 776 R CA 0.839 56.944 56.100 0.010 0.000 1.119 776 R CB -0.331 29.973 30.300 0.005 0.000 1.176 776 R HN 1.692 nan 8.270 nan 0.000 0.526 777 A N 0.000 122.813 122.820 -0.012 0.000 2.254 777 A HA 0.000 4.347 4.320 0.046 0.000 0.244 777 A CA 0.000 52.025 52.037 -0.019 0.000 0.836 777 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486