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 2w3s_1_H DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK ESQGNHLAIA CAVAARATGR DATA SEQUENCE PCKMRYDRDD DMVITGKRHD FRIRYRIGAD ASGKLLGADF VHLARCGWSA DATA SEQUENCE DLSLPVCDRA MLHADGSYFV PALRIESHRL RTNTQSNTAF RGFGGPQGAL DATA SEQUENCE GMERAIEHLA RGMGRDPAEL RALNFYDPPE XXXXXXXXXX XXXXXXKKTQ DATA SEQUENCE TTHYGQEVAD CVLGELVTRL QKSANFTTRR AEIAAWNSTN RTLARGIALS DATA SEQUENCE PVKFGISFTL THLNQAGALV QIYTDGSVAL NHGGTEMGQG LHAKMVQVAA DATA SEQUENCE AVLGIDPVQV RITATDTSKV PNTSATAASS GADMNGMAVK DACETLRGRL DATA SEQUENCE AGFVAAREGC AARDVIFDAG QVQASGKSWR FAEIVAAAYM ARISLSATGF DATA SEQUENCE YATPKLSWDR LRGQGRPFLY FAYGAAITEV VIDRLTGENR ILRTDILHDA DATA SEQUENCE GASLNPALDI GQIEGAYVQG AGWLTTEELV WDHCGRLMTH APSTYKIPAF DATA SEQUENCE SDRPRIFNVA LWDQPNREET IFRSKAVGEP PFLLGISAFL ALHDACAACG DATA SEQUENCE PHWPDLQAPA TPEAVLAAVR RAEGRA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.490 174.600 -0.184 0.000 1.055 2 S CA 0.000 58.110 58.200 -0.150 0.000 1.107 2 S CB 0.000 63.130 63.200 -0.117 0.000 0.593 3 V N 2.781 122.520 119.914 -0.290 0.000 2.814 3 V HA 0.418 4.537 4.120 -0.001 0.000 0.307 3 V C 1.943 177.892 176.094 -0.243 0.000 1.089 3 V CA 1.850 63.953 62.300 -0.329 0.000 1.212 3 V CB 0.264 31.678 31.823 -0.680 0.000 0.912 3 V HN 1.125 nan 8.190 nan 0.000 0.497 4 G N 3.518 112.221 108.800 -0.163 0.000 2.258 4 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.233 4 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.233 4 G C 0.296 175.146 174.900 -0.083 0.000 1.006 4 G CA 0.122 45.154 45.100 -0.113 0.000 0.620 4 G HN 0.615 nan 8.290 nan 0.000 0.511 5 K N 1.790 122.138 120.400 -0.087 0.000 2.326 5 K HA 0.358 4.677 4.320 -0.001 0.000 0.275 5 K C -2.187 174.384 176.600 -0.048 0.000 1.018 5 K CA -0.991 55.258 56.287 -0.063 0.000 0.962 5 K CB 1.236 33.698 32.500 -0.064 0.000 0.953 5 K HN 0.073 nan 8.250 nan 0.000 0.475 6 P HA 0.080 nan 4.420 nan 0.000 0.225 6 P C -0.442 176.847 177.300 -0.019 0.000 1.768 6 P CA 0.091 63.176 63.100 -0.024 0.000 0.943 6 P CB -0.064 31.625 31.700 -0.019 0.000 1.936 7 L N 2.271 123.479 121.223 -0.025 0.000 2.452 7 L HA 0.286 4.625 4.340 -0.001 0.000 0.267 7 L C -1.459 175.408 176.870 -0.004 0.000 1.188 7 L CA -1.968 52.860 54.840 -0.020 0.000 0.821 7 L CB -0.038 42.001 42.059 -0.033 0.000 1.102 7 L HN 0.031 nan 8.230 nan 0.000 0.470 8 P HA -0.011 nan 4.420 nan 0.000 0.274 8 P C -0.612 176.719 177.300 0.052 0.000 1.237 8 P CA -0.261 62.860 63.100 0.034 0.000 0.793 8 P CB 0.376 32.092 31.700 0.027 0.000 0.977 9 H N 2.769 121.824 119.070 -0.025 0.000 3.001 9 H HA -0.081 4.474 4.556 -0.001 0.000 0.334 9 H C 1.378 176.661 175.328 -0.075 0.000 1.034 9 H CA 0.846 56.873 56.048 -0.035 0.000 1.420 9 H CB 0.396 30.144 29.762 -0.024 0.000 1.405 9 H HN 0.578 nan 8.280 nan 0.000 0.593 10 D N 2.474 122.730 120.400 -0.239 0.000 2.239 10 D HA -0.170 4.469 4.640 -0.001 0.000 0.202 10 D C 0.259 176.574 176.300 0.026 0.000 0.993 10 D CA 1.498 55.446 54.000 -0.088 0.000 0.874 10 D CB 0.152 40.880 40.800 -0.120 0.000 0.922 10 D HN 0.353 nan 8.370 nan 0.000 0.464 11 S N -0.581 115.210 115.700 0.152 0.000 2.730 11 S HA 0.487 4.956 4.470 -0.001 0.000 0.244 11 S C 1.630 175.988 174.600 -0.403 0.000 1.022 11 S CA 0.026 58.153 58.200 -0.122 0.000 1.014 11 S CB 1.011 64.154 63.200 -0.096 0.000 0.963 11 S HN 0.492 nan 8.310 nan 0.000 0.540 12 A N 3.078 125.738 122.820 -0.268 0.000 1.906 12 A HA -0.300 4.019 4.320 -0.001 0.000 0.222 12 A C 2.060 179.607 177.584 -0.061 0.000 1.282 12 A CA 2.308 54.235 52.037 -0.184 0.000 0.675 12 A CB -0.684 18.296 19.000 -0.033 0.000 0.838 12 A HN 0.487 nan 8.150 nan 0.000 0.469 13 R N -0.752 119.730 120.500 -0.030 0.000 2.073 13 R HA -0.086 4.253 4.340 -0.001 0.000 0.234 13 R C 2.400 178.720 176.300 0.033 0.000 1.134 13 R CA 1.559 57.664 56.100 0.009 0.000 0.952 13 R CB -0.462 29.841 30.300 0.006 0.000 0.850 13 R HN 0.498 nan 8.270 nan 0.000 0.433 14 A N 0.287 123.120 122.820 0.022 0.000 1.902 14 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 14 A C 1.832 179.512 177.584 0.160 0.000 1.181 14 A CA 1.626 53.702 52.037 0.064 0.000 0.623 14 A CB -0.932 18.095 19.000 0.044 0.000 0.818 14 A HN 0.568 nan 8.150 nan 0.000 0.443 15 H N -1.712 117.380 119.070 0.037 0.000 2.251 15 H HA -0.139 4.417 4.556 -0.001 0.000 0.294 15 H C 2.123 177.481 175.328 0.050 0.000 1.078 15 H CA 1.372 57.450 56.048 0.050 0.000 1.246 15 H CB -0.150 29.616 29.762 0.007 0.000 1.358 15 H HN 0.296 nan 8.280 nan 0.000 0.488 16 V N 0.987 121.011 119.914 0.184 0.000 2.809 16 V HA -0.149 3.970 4.120 -0.001 0.000 0.256 16 V C 2.316 178.460 176.094 0.082 0.000 1.080 16 V CA 2.063 64.430 62.300 0.112 0.000 1.102 16 V CB -0.235 31.640 31.823 0.086 0.000 0.705 16 V HN 0.675 nan 8.190 nan 0.000 0.475 17 T N -3.898 110.704 114.554 0.079 0.000 3.040 17 T HA 0.290 4.639 4.350 -0.001 0.000 0.250 17 T C 1.444 176.182 174.700 0.062 0.000 1.058 17 T CA 0.795 62.930 62.100 0.059 0.000 0.988 17 T CB 0.674 69.569 68.868 0.045 0.000 0.993 17 T HN 0.996 nan 8.240 nan 0.000 0.519 18 G N 1.353 110.204 108.800 0.085 0.000 2.136 18 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.242 18 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.242 18 G C 0.550 175.496 174.900 0.077 0.000 0.989 18 G CA 0.461 45.614 45.100 0.088 0.000 0.682 18 G HN 0.562 nan 8.290 nan 0.000 0.522 19 Q N -0.344 119.496 119.800 0.067 0.000 2.354 19 Q HA 0.475 4.814 4.340 -0.001 0.000 0.203 19 Q C 1.865 177.882 176.000 0.029 0.000 0.933 19 Q CA 0.585 56.413 55.803 0.041 0.000 0.901 19 Q CB 0.249 29.004 28.738 0.028 0.000 1.007 19 Q HN 0.926 nan 8.270 nan 0.000 0.495 20 A N 1.729 124.581 122.820 0.055 0.000 2.515 20 A HA 0.124 4.443 4.320 -0.001 0.000 0.263 20 A C -0.519 176.994 177.584 -0.119 0.000 1.096 20 A CA 0.086 52.109 52.037 -0.024 0.000 0.769 20 A CB -0.005 19.040 19.000 0.074 0.000 1.040 20 A HN 0.182 nan 8.150 nan 0.000 0.505 21 R N 2.003 122.387 120.500 -0.193 0.000 2.368 21 R HA 0.564 4.903 4.340 -0.001 0.000 0.302 21 R C -1.112 174.987 176.300 -0.334 0.000 1.002 21 R CA -0.203 55.813 56.100 -0.141 0.000 0.929 21 R CB 0.725 30.976 30.300 -0.082 0.000 1.073 21 R HN 0.713 nan 8.270 nan 0.000 0.464 22 Y N 0.575 120.863 120.300 -0.019 0.000 2.654 22 Y HA 0.219 4.768 4.550 -0.001 0.000 0.328 22 Y C 1.488 177.362 175.900 -0.044 0.000 1.174 22 Y CA -1.023 57.060 58.100 -0.028 0.000 1.293 22 Y CB 0.347 38.786 38.460 -0.035 0.000 1.464 22 Y HN 0.397 nan 8.280 nan 0.000 0.559 23 L N 0.694 121.995 121.223 0.130 0.000 1.997 23 L HA -0.277 4.063 4.340 -0.001 0.000 0.216 23 L C 1.634 178.510 176.870 0.010 0.000 1.074 23 L CA 2.501 57.361 54.840 0.032 0.000 0.763 23 L CB -0.398 41.666 42.059 0.008 0.000 0.890 23 L HN 0.840 nan 8.230 nan 0.000 0.434 24 D N -1.323 119.090 120.400 0.020 0.000 2.348 24 D HA -0.159 4.480 4.640 -0.001 0.000 0.216 24 D C 1.353 177.661 176.300 0.013 0.000 0.970 24 D CA 0.812 54.813 54.000 0.001 0.000 0.889 24 D CB 0.037 40.821 40.800 -0.026 0.000 0.912 24 D HN 0.475 nan 8.370 nan 0.000 0.524 25 D N -0.300 120.122 120.400 0.036 0.000 2.317 25 D HA 0.002 4.642 4.640 -0.001 0.000 0.211 25 D C 0.581 176.874 176.300 -0.011 0.000 0.966 25 D CA 0.135 54.151 54.000 0.027 0.000 0.876 25 D CB -0.017 40.822 40.800 0.064 0.000 0.927 25 D HN 0.321 nan 8.370 nan 0.000 0.519 26 L N 2.301 123.499 121.223 -0.040 0.000 2.490 26 L HA 0.122 4.461 4.340 -0.001 0.000 0.274 26 L C -1.764 175.066 176.870 -0.067 0.000 1.201 26 L CA -1.362 53.426 54.840 -0.088 0.000 0.869 26 L CB -0.116 41.845 42.059 -0.164 0.000 1.123 26 L HN -0.156 nan 8.230 nan 0.000 0.484 27 P HA 0.250 nan 4.420 nan 0.000 0.272 27 P C -1.045 176.226 177.300 -0.049 0.000 1.240 27 P CA -0.504 62.570 63.100 -0.043 0.000 0.791 27 P CB 0.763 32.439 31.700 -0.039 0.000 0.978 28 C N -1.583 117.702 119.300 -0.025 0.000 3.275 28 C HA 0.486 4.945 4.460 -0.001 0.000 0.345 28 C C -2.953 172.036 174.990 -0.003 0.000 1.257 28 C CA -1.831 57.175 59.018 -0.021 0.000 1.203 28 C CB -0.292 27.430 27.740 -0.030 0.000 1.492 28 C HN 0.382 nan 8.230 nan 0.000 0.484 29 P HA 0.296 nan 4.420 nan 0.000 0.263 29 P C 0.910 178.221 177.300 0.018 0.000 1.175 29 P CA 0.835 63.939 63.100 0.007 0.000 0.761 29 P CB 0.487 32.190 31.700 0.004 0.000 0.794 30 A N 3.433 126.266 122.820 0.022 0.000 2.186 30 A HA -0.201 4.118 4.320 -0.001 0.000 0.219 30 A C 1.550 179.158 177.584 0.040 0.000 1.159 30 A CA 1.651 53.708 52.037 0.033 0.000 0.680 30 A CB -0.923 18.092 19.000 0.026 0.000 0.787 30 A HN 0.723 nan 8.150 nan 0.000 0.467 31 N N -0.590 118.129 118.700 0.031 0.000 2.280 31 N HA -0.004 4.735 4.740 -0.001 0.000 0.192 31 N C -0.200 175.330 175.510 0.032 0.000 1.109 31 N CA 0.580 53.651 53.050 0.034 0.000 0.855 31 N CB -1.013 37.490 38.487 0.026 0.000 0.974 31 N HN 0.117 nan 8.380 nan 0.000 0.482 32 T N 1.925 116.491 114.554 0.019 0.000 2.933 32 T HA 0.086 4.436 4.350 -0.001 0.000 0.306 32 T C 0.576 175.254 174.700 -0.036 0.000 1.045 32 T CA 0.130 62.206 62.100 -0.041 0.000 1.143 32 T CB 0.672 69.482 68.868 -0.096 0.000 1.003 32 T HN 0.127 nan 8.240 nan 0.000 0.540 33 L N 2.794 123.965 121.223 -0.087 0.000 2.400 33 L HA 0.532 4.871 4.340 -0.001 0.000 0.264 33 L C 0.464 177.197 176.870 -0.228 0.000 1.061 33 L CA -1.051 53.779 54.840 -0.017 0.000 0.799 33 L CB 0.864 42.950 42.059 0.044 0.000 1.240 33 L HN 0.629 nan 8.230 nan 0.000 0.461 34 H N 1.547 120.649 119.070 0.054 0.000 2.759 34 H HA 0.485 5.040 4.556 -0.001 0.000 0.354 34 H C -0.983 174.376 175.328 0.052 0.000 1.074 34 H CA -0.557 55.528 56.048 0.061 0.000 1.226 34 H CB 2.286 32.107 29.762 0.098 0.000 1.648 34 H HN 0.309 nan 8.280 nan 0.000 0.529 35 L N 1.393 122.679 121.223 0.105 0.000 2.365 35 L HA 0.841 5.181 4.340 -0.001 0.000 0.267 35 L C 0.104 176.955 176.870 -0.032 0.000 1.033 35 L CA -0.974 53.873 54.840 0.011 0.000 0.802 35 L CB 1.623 43.624 42.059 -0.096 0.000 1.267 35 L HN 0.667 nan 8.230 nan 0.000 0.457 36 A N 0.723 123.472 122.820 -0.119 0.000 2.565 36 A HA 0.553 4.873 4.320 -0.001 0.000 0.298 36 A C -1.354 176.113 177.584 -0.194 0.000 1.062 36 A CA -0.547 51.396 52.037 -0.156 0.000 0.723 36 A CB 0.642 19.596 19.000 -0.077 0.000 1.282 36 A HN 0.475 nan 8.150 nan 0.000 0.400 37 F N 1.470 121.403 119.950 -0.028 0.000 2.443 37 F HA 0.468 4.995 4.527 -0.001 0.000 0.353 37 F C 1.488 177.037 175.800 -0.419 0.000 1.101 37 F CA 0.312 58.207 58.000 -0.175 0.000 1.226 37 F CB 1.486 40.439 39.000 -0.079 0.000 1.140 37 F HN 0.724 nan 8.300 nan 0.000 0.557 38 G N 4.541 112.915 108.800 -0.710 0.000 2.353 38 G HA2 0.519 4.478 3.960 -0.001 0.000 0.284 38 G HA3 0.519 4.478 3.960 -0.001 0.000 0.284 38 G C -0.864 173.785 174.900 -0.417 0.000 1.172 38 G CA -0.602 43.851 45.100 -1.078 0.000 0.854 38 G HN 0.508 nan 8.290 nan 0.000 0.485 39 L N 1.475 122.580 121.223 -0.197 0.000 2.334 39 L HA 0.434 4.773 4.340 -0.001 0.000 0.273 39 L C 0.894 177.707 176.870 -0.095 0.000 1.013 39 L CA -0.956 53.783 54.840 -0.167 0.000 0.816 39 L CB 1.975 43.932 42.059 -0.170 0.000 1.278 39 L HN 0.585 nan 8.230 nan 0.000 0.431 40 S N 0.184 115.779 115.700 -0.175 0.000 2.549 40 S HA 0.063 4.533 4.470 -0.001 0.000 0.286 40 S C 0.834 175.324 174.600 -0.183 0.000 1.314 40 S CA -0.240 57.897 58.200 -0.106 0.000 1.062 40 S CB 0.505 63.552 63.200 -0.256 0.000 0.865 40 S HN 0.731 nan 8.310 nan 0.000 0.498 41 T N 1.644 116.091 114.554 -0.179 0.000 3.223 41 T HA 0.404 4.753 4.350 -0.001 0.000 0.259 41 T C -0.256 174.194 174.700 -0.417 0.000 1.015 41 T CA -0.479 61.468 62.100 -0.256 0.000 0.908 41 T CB -0.182 68.593 68.868 -0.154 0.000 1.054 41 T HN 0.560 nan 8.240 nan 0.000 0.567 42 E N 0.075 119.985 120.200 -0.483 0.000 2.331 42 E HA 0.612 4.962 4.350 -0.001 0.000 0.275 42 E C 0.360 176.784 176.600 -0.293 0.000 0.895 42 E CA -0.657 55.472 56.400 -0.451 0.000 0.753 42 E CB 2.069 31.360 29.700 -0.681 0.000 1.216 42 E HN 0.112 nan 8.360 nan 0.000 0.434 43 A N 1.570 124.272 122.820 -0.197 0.000 1.970 43 A HA 0.007 4.326 4.320 -0.001 0.000 0.216 43 A C 0.955 178.476 177.584 -0.105 0.000 1.170 43 A CA 1.185 53.152 52.037 -0.116 0.000 0.645 43 A CB 0.297 19.254 19.000 -0.072 0.000 0.816 43 A HN 0.289 nan 8.150 nan 0.000 0.447 44 S N -1.479 114.142 115.700 -0.131 0.000 2.382 44 S HA 0.579 5.048 4.470 -0.001 0.000 0.228 44 S C -0.854 173.679 174.600 -0.111 0.000 0.996 44 S CA 0.236 58.365 58.200 -0.117 0.000 1.094 44 S CB 0.054 63.221 63.200 -0.055 0.000 1.209 44 S HN 1.449 nan 8.310 nan 0.000 0.420 45 A N 2.848 125.594 122.820 -0.123 0.000 2.606 45 A HA 0.938 5.258 4.320 -0.001 0.000 0.293 45 A C -0.225 177.338 177.584 -0.034 0.000 1.082 45 A CA -0.299 51.713 52.037 -0.041 0.000 0.685 45 A CB 1.179 20.197 19.000 0.029 0.000 1.284 45 A HN 1.603 nan 8.150 nan 0.000 0.408 46 A N 0.895 123.714 122.820 -0.001 0.000 2.363 46 A HA 0.623 4.942 4.320 -0.001 0.000 0.270 46 A C -0.128 177.476 177.584 0.033 0.000 1.121 46 A CA -0.168 51.870 52.037 0.003 0.000 0.800 46 A CB -0.267 18.734 19.000 0.003 0.000 1.052 46 A HN 0.713 nan 8.150 nan 0.000 0.493 47 I N 1.862 122.428 120.570 -0.007 0.000 2.474 47 I HA 0.199 4.368 4.170 -0.001 0.000 0.287 47 I C 1.152 177.219 176.117 -0.084 0.000 1.048 47 I CA 0.165 61.406 61.300 -0.099 0.000 1.383 47 I CB 1.533 39.446 38.000 -0.145 0.000 1.412 47 I HN 0.754 nan 8.210 nan 0.000 0.531 48 T N 3.117 117.603 114.554 -0.113 0.000 2.955 48 T HA 0.295 4.645 4.350 -0.001 0.000 0.251 48 T C 0.297 174.949 174.700 -0.080 0.000 1.002 48 T CA 0.020 62.079 62.100 -0.069 0.000 0.970 48 T CB 0.605 69.448 68.868 -0.041 0.000 1.091 48 T HN 0.823 nan 8.240 nan 0.000 0.495 49 G N 1.107 109.833 108.800 -0.123 0.000 2.750 49 G HA2 0.521 4.480 3.960 -0.001 0.000 0.298 49 G HA3 0.521 4.480 3.960 -0.001 0.000 0.298 49 G C -2.301 172.503 174.900 -0.159 0.000 1.412 49 G CA -0.611 44.421 45.100 -0.114 0.000 1.078 49 G HN 0.149 nan 8.290 nan 0.000 0.573 50 L N 1.880 123.019 121.223 -0.140 0.000 2.442 50 L HA 0.603 4.943 4.340 -0.001 0.000 0.261 50 L C -1.148 175.624 176.870 -0.162 0.000 1.000 50 L CA -0.807 53.933 54.840 -0.167 0.000 0.882 50 L CB 1.576 43.548 42.059 -0.145 0.000 1.207 50 L HN 0.435 nan 8.230 nan 0.000 0.443 51 D N 4.038 124.340 120.400 -0.164 0.000 2.347 51 D HA 0.275 4.914 4.640 -0.001 0.000 0.235 51 D C 0.322 176.492 176.300 -0.216 0.000 1.149 51 D CA 0.094 54.001 54.000 -0.156 0.000 0.850 51 D CB 0.907 41.639 40.800 -0.112 0.000 1.061 51 D HN 0.603 nan 8.370 nan 0.000 0.487 52 L N 3.338 124.418 121.223 -0.239 0.000 2.872 52 L HA 0.198 4.538 4.340 -0.001 0.000 0.245 52 L C 1.546 178.300 176.870 -0.195 0.000 1.211 52 L CA -0.185 54.465 54.840 -0.317 0.000 1.013 52 L CB 0.288 42.121 42.059 -0.377 0.000 1.326 52 L HN 0.303 nan 8.230 nan 0.000 0.525 53 E N 1.829 121.946 120.200 -0.139 0.000 2.028 53 E HA -0.096 4.253 4.350 -0.001 0.000 0.190 53 E C -0.778 175.777 176.600 -0.074 0.000 0.984 53 E CA 1.338 57.681 56.400 -0.093 0.000 0.800 53 E CB -0.724 28.933 29.700 -0.073 0.000 0.758 53 E HN 0.203 nan 8.360 nan 0.000 0.448 54 P HA -0.050 nan 4.420 nan 0.000 0.234 54 P C 0.879 178.161 177.300 -0.030 0.000 1.167 54 P CA 0.557 63.633 63.100 -0.040 0.000 0.763 54 P CB 0.216 31.897 31.700 -0.032 0.000 0.835 55 V N 0.118 119.997 119.914 -0.058 0.000 2.300 55 V HA -0.099 4.020 4.120 -0.001 0.000 0.241 55 V C 2.437 178.525 176.094 -0.010 0.000 1.034 55 V CA 1.317 63.605 62.300 -0.020 0.000 1.021 55 V CB -0.859 30.916 31.823 -0.080 0.000 0.662 55 V HN 0.026 nan 8.190 nan 0.000 0.458 56 R N 0.338 120.811 120.500 -0.045 0.000 2.139 56 R HA -0.195 4.144 4.340 -0.001 0.000 0.243 56 R C 2.023 178.310 176.300 -0.023 0.000 1.145 56 R CA 1.658 57.734 56.100 -0.040 0.000 0.976 56 R CB -0.265 29.998 30.300 -0.062 0.000 0.866 56 R HN 0.623 nan 8.270 nan 0.000 0.449 57 E N 0.376 120.563 120.200 -0.023 0.000 2.385 57 E HA 0.016 4.366 4.350 -0.001 0.000 0.194 57 E C 0.357 176.955 176.600 -0.004 0.000 1.013 57 E CA -0.161 56.230 56.400 -0.015 0.000 0.866 57 E CB 0.356 30.045 29.700 -0.020 0.000 0.832 57 E HN 0.024 nan 8.360 nan 0.000 0.500 58 S N 2.087 117.790 115.700 0.004 0.000 2.560 58 S HA 0.073 4.542 4.470 -0.001 0.000 0.284 58 S C -2.216 172.392 174.600 0.014 0.000 1.327 58 S CA -1.596 56.612 58.200 0.012 0.000 1.055 58 S CB 0.460 63.674 63.200 0.024 0.000 0.868 58 S HN -0.088 nan 8.310 nan 0.000 0.506 59 P HA 0.157 nan 4.420 nan 0.000 0.268 59 P C 0.975 178.286 177.300 0.019 0.000 1.208 59 P CA 0.871 63.979 63.100 0.013 0.000 0.777 59 P CB -0.058 31.649 31.700 0.011 0.000 0.875 60 G N 0.487 109.299 108.800 0.020 0.000 2.205 60 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.269 60 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.269 60 G C 0.167 175.089 174.900 0.037 0.000 0.977 60 G CA 0.209 45.326 45.100 0.029 0.000 0.652 60 G HN 0.561 nan 8.290 nan 0.000 0.539 61 V N 1.813 121.746 119.914 0.032 0.000 2.555 61 V HA 0.281 4.401 4.120 -0.001 0.000 0.286 61 V C 1.565 177.674 176.094 0.026 0.000 1.044 61 V CA 0.142 62.463 62.300 0.035 0.000 1.026 61 V CB 1.263 33.104 31.823 0.029 0.000 0.981 61 V HN 0.219 nan 8.190 nan 0.000 0.480 62 I N 3.180 123.771 120.570 0.035 0.000 3.300 62 I HA 0.384 4.553 4.170 -0.001 0.000 0.279 62 I C 0.877 176.986 176.117 -0.013 0.000 1.172 62 I CA 0.781 62.096 61.300 0.025 0.000 1.431 62 I CB -0.101 37.930 38.000 0.053 0.000 1.240 62 I HN 0.651 nan 8.210 nan 0.000 0.453 63 A N 0.673 123.476 122.820 -0.027 0.000 2.566 63 A HA 0.772 5.091 4.320 -0.001 0.000 0.292 63 A C -1.259 176.173 177.584 -0.254 0.000 1.112 63 A CA -0.377 51.531 52.037 -0.216 0.000 0.707 63 A CB 2.255 21.076 19.000 -0.299 0.000 1.302 63 A HN -0.148 nan 8.150 nan 0.000 0.409 64 V N 0.923 120.551 119.914 -0.476 0.000 2.623 64 V HA 0.571 4.691 4.120 -0.001 0.000 0.304 64 V C -1.404 174.440 176.094 -0.417 0.000 1.054 64 V CA -0.242 61.913 62.300 -0.242 0.000 0.882 64 V CB 1.251 33.021 31.823 -0.088 0.000 1.002 64 V HN 0.733 nan 8.190 nan 0.000 0.424 65 F N 1.573 121.630 119.950 0.180 0.000 2.538 65 F HA 0.836 5.362 4.527 -0.001 0.000 0.325 65 F C 0.559 176.479 175.800 0.201 0.000 1.066 65 F CA -0.524 57.572 58.000 0.161 0.000 0.946 65 F CB 2.480 41.573 39.000 0.156 0.000 1.199 65 F HN 0.358 nan 8.300 nan 0.000 0.473 66 T N -0.038 114.720 114.554 0.340 0.000 2.883 66 T HA 0.498 4.847 4.350 -0.001 0.000 0.301 66 T C 0.655 175.476 174.700 0.202 0.000 1.158 66 T CA -0.054 62.190 62.100 0.239 0.000 1.007 66 T CB 1.777 70.728 68.868 0.138 0.000 1.186 66 T HN 0.695 nan 8.240 nan 0.000 0.499 67 A N 1.401 124.317 122.820 0.161 0.000 1.958 67 A HA -0.058 4.261 4.320 -0.001 0.000 0.221 67 A C 2.410 180.061 177.584 0.112 0.000 1.178 67 A CA 2.609 54.725 52.037 0.132 0.000 0.642 67 A CB -1.094 17.973 19.000 0.112 0.000 0.816 67 A HN 1.010 nan 8.150 nan 0.000 0.453 68 A N -0.385 122.494 122.820 0.097 0.000 2.019 68 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 68 A C 1.563 179.200 177.584 0.089 0.000 1.164 68 A CA 1.673 53.755 52.037 0.075 0.000 0.644 68 A CB -0.412 18.621 19.000 0.054 0.000 0.805 68 A HN 0.549 nan 8.150 nan 0.000 0.449 69 D N -0.602 119.880 120.400 0.138 0.000 2.340 69 D HA 0.101 4.741 4.640 -0.001 0.000 0.220 69 D C -0.014 176.393 176.300 0.178 0.000 1.039 69 D CA 0.145 54.254 54.000 0.183 0.000 0.866 69 D CB 0.013 40.988 40.800 0.292 0.000 0.913 69 D HN 0.352 nan 8.370 nan 0.000 0.523 70 L N 3.390 124.692 121.223 0.132 0.000 2.385 70 L HA 0.074 4.413 4.340 -0.001 0.000 0.281 70 L C -0.776 176.125 176.870 0.052 0.000 1.106 70 L CA -1.039 53.857 54.840 0.095 0.000 0.856 70 L CB 0.794 42.909 42.059 0.094 0.000 1.186 70 L HN -0.152 nan 8.230 nan 0.000 0.453 71 P HA -0.126 nan 4.420 nan 0.000 0.219 71 P C 0.193 177.282 177.300 -0.352 0.000 1.146 71 P CA 1.571 64.622 63.100 -0.082 0.000 0.808 71 P CB 0.372 32.109 31.700 0.062 0.000 0.779 72 H N -2.044 117.056 119.070 0.050 0.000 4.914 72 H HA 0.290 4.846 4.556 -0.001 0.000 0.268 72 H C -0.083 175.276 175.328 0.052 0.000 1.306 72 H CA -0.629 55.449 56.048 0.050 0.000 0.504 72 H CB -0.841 28.955 29.762 0.057 0.000 1.445 72 H HN -0.234 nan 8.280 nan 0.000 0.482 73 D N 0.715 121.242 120.400 0.212 0.000 2.449 73 D HA 0.036 4.675 4.640 -0.001 0.000 0.236 73 D C -0.059 176.303 176.300 0.104 0.000 1.149 73 D CA 0.594 54.672 54.000 0.130 0.000 0.878 73 D CB 0.236 41.121 40.800 0.141 0.000 1.198 73 D HN 0.349 nan 8.370 nan 0.000 0.446 74 N N 1.656 120.406 118.700 0.082 0.000 2.723 74 N HA 0.152 4.892 4.740 -0.001 0.000 0.290 74 N C -2.006 173.541 175.510 0.062 0.000 1.882 74 N CA -0.511 52.585 53.050 0.077 0.000 0.851 74 N CB 0.233 38.772 38.487 0.088 0.000 1.234 74 N HN 0.200 nan 8.380 nan 0.000 0.491 75 D N -0.067 120.358 120.400 0.042 0.000 2.934 75 D HA 0.631 5.270 4.640 -0.001 0.000 0.230 75 D C -0.893 175.385 176.300 -0.036 0.000 1.204 75 D CA -0.530 53.478 54.000 0.013 0.000 0.873 75 D CB 1.844 42.662 40.800 0.030 0.000 1.645 75 D HN 0.172 nan 8.370 nan 0.000 0.502 76 A N 2.293 125.045 122.820 -0.113 0.000 2.592 76 A HA 0.308 4.628 4.320 -0.001 0.000 0.290 76 A C 0.211 177.712 177.584 -0.139 0.000 0.998 76 A CA -0.317 51.602 52.037 -0.195 0.000 0.983 76 A CB 0.199 18.895 19.000 -0.506 0.000 1.240 76 A HN 0.294 nan 8.150 nan 0.000 0.535 77 S N 1.549 117.194 115.700 -0.092 0.000 2.545 77 S HA 0.442 4.912 4.470 -0.001 0.000 0.275 77 S C -1.476 173.073 174.600 -0.086 0.000 1.299 77 S CA -1.155 56.993 58.200 -0.086 0.000 1.048 77 S CB 0.854 63.986 63.200 -0.112 0.000 0.938 77 S HN 0.299 nan 8.310 nan 0.000 0.496 78 P HA 0.231 nan 4.420 nan 0.000 0.253 78 P C -0.323 176.944 177.300 -0.055 0.000 1.260 78 P CA 0.114 63.171 63.100 -0.072 0.000 0.800 78 P CB -0.045 31.645 31.700 -0.017 0.000 1.162 79 A N 0.634 123.413 122.820 -0.069 0.000 2.330 79 A HA 0.615 4.935 4.320 -0.001 0.000 0.329 79 A C -1.633 175.922 177.584 -0.048 0.000 1.135 79 A CA -1.789 50.213 52.037 -0.059 0.000 0.817 79 A CB 0.382 19.321 19.000 -0.101 0.000 1.269 79 A HN -0.216 nan 8.150 nan 0.000 0.469 80 P HA -0.147 nan 4.420 nan 0.000 0.218 80 P C 0.598 177.887 177.300 -0.017 0.000 1.154 80 P CA 1.865 64.960 63.100 -0.009 0.000 0.872 80 P CB -0.152 31.547 31.700 -0.002 0.000 0.790 81 S N -0.693 114.986 115.700 -0.036 0.000 2.531 81 S HA 0.309 4.779 4.470 -0.001 0.000 0.279 81 S C -2.392 172.174 174.600 -0.057 0.000 1.305 81 S CA -1.415 56.762 58.200 -0.038 0.000 1.058 81 S CB 0.000 63.176 63.200 -0.040 0.000 0.899 81 S HN -0.032 nan 8.310 nan 0.000 0.493 82 P HA 0.280 nan 4.420 nan 0.000 0.273 82 P C -0.547 176.707 177.300 -0.076 0.000 1.250 82 P CA -0.328 62.752 63.100 -0.032 0.000 0.793 82 P CB 0.364 32.067 31.700 0.005 0.000 1.011 83 E N 0.822 120.989 120.200 -0.054 0.000 2.404 83 E HA 0.213 4.562 4.350 -0.001 0.000 0.298 83 E C -2.745 173.912 176.600 0.096 0.000 0.908 83 E CA -2.117 54.242 56.400 -0.069 0.000 0.808 83 E CB 1.186 30.776 29.700 -0.183 0.000 1.380 83 E HN 0.220 nan 8.360 nan 0.000 0.392 84 P HA -0.040 nan 4.420 nan 0.000 0.268 84 P C 0.733 178.168 177.300 0.226 0.000 1.208 84 P CA -0.146 63.080 63.100 0.209 0.000 0.777 84 P CB 1.338 33.188 31.700 0.250 0.000 0.875 85 V N 1.688 121.675 119.914 0.122 0.000 2.500 85 V HA 0.001 4.120 4.120 -0.001 0.000 0.243 85 V C 1.273 177.423 176.094 0.094 0.000 1.039 85 V CA 1.222 63.590 62.300 0.114 0.000 1.053 85 V CB -0.546 31.316 31.823 0.065 0.000 0.695 85 V HN 0.396 nan 8.190 nan 0.000 0.463 86 L N 0.868 122.156 121.223 0.108 0.000 2.322 86 L HA 0.676 5.016 4.340 -0.001 0.000 0.281 86 L C 0.335 177.270 176.870 0.109 0.000 1.014 86 L CA -0.789 54.107 54.840 0.093 0.000 0.815 86 L CB 1.485 43.635 42.059 0.153 0.000 1.247 86 L HN 0.203 nan 8.230 nan 0.000 0.421 87 A N 1.856 124.720 122.820 0.073 0.000 2.591 87 A HA 0.155 4.475 4.320 -0.001 0.000 0.244 87 A C 0.663 178.311 177.584 0.106 0.000 1.031 87 A CA 0.253 52.341 52.037 0.085 0.000 0.767 87 A CB -0.428 18.588 19.000 0.027 0.000 0.942 87 A HN 0.728 nan 8.150 nan 0.000 0.514 88 T N 1.082 115.718 114.554 0.136 0.000 3.145 88 T HA 0.523 4.873 4.350 -0.001 0.000 0.348 88 T C 1.207 175.967 174.700 0.100 0.000 1.299 88 T CA 0.273 62.443 62.100 0.117 0.000 1.037 88 T CB 0.311 69.257 68.868 0.131 0.000 1.122 88 T HN 2.323 nan 8.240 nan 0.000 0.600 89 G N 2.776 111.614 108.800 0.062 0.000 2.284 89 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.261 89 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.261 89 G C -0.148 174.764 174.900 0.020 0.000 0.997 89 G CA 0.566 45.688 45.100 0.036 0.000 0.621 89 G HN 1.021 nan 8.290 nan 0.000 0.534 90 E N -1.681 118.535 120.200 0.027 0.000 2.445 90 E HA 0.709 5.058 4.350 -0.001 0.000 0.279 90 E C -0.649 175.875 176.600 -0.126 0.000 1.018 90 E CA -0.776 55.595 56.400 -0.048 0.000 0.816 90 E CB 2.213 31.870 29.700 -0.072 0.000 1.356 90 E HN 1.251 nan 8.360 nan 0.000 0.462 91 V N -1.913 117.815 119.914 -0.309 0.000 2.925 91 V HA 0.525 4.644 4.120 -0.001 0.000 0.311 91 V C -0.604 175.170 176.094 -0.534 0.000 1.104 91 V CA -0.534 61.563 62.300 -0.338 0.000 0.954 91 V CB 1.749 33.459 31.823 -0.188 0.000 1.022 91 V HN 0.946 nan 8.190 nan 0.000 0.427 92 H N 3.640 122.572 119.070 -0.230 0.000 3.233 92 H HA 0.403 4.958 4.556 -0.001 0.000 0.263 92 H C -0.260 175.070 175.328 0.003 0.000 1.168 92 H CA 0.697 56.718 56.048 -0.043 0.000 1.159 92 H CB 1.202 31.105 29.762 0.235 0.000 1.593 92 H HN 0.779 nan 8.280 nan 0.000 0.580 93 F N -1.498 118.267 119.950 -0.310 0.000 2.713 93 F HA 0.514 5.040 4.527 -0.001 0.000 0.311 93 F C -1.461 174.205 175.800 -0.223 0.000 1.141 93 F CA -1.519 56.338 58.000 -0.238 0.000 0.939 93 F CB 0.882 39.733 39.000 -0.249 0.000 1.325 93 F HN -0.353 nan 8.300 nan 0.000 0.453 94 V N 2.371 122.216 119.914 -0.114 0.000 2.415 94 V HA 0.504 4.624 4.120 -0.001 0.000 0.267 94 V C 0.798 176.742 176.094 -0.251 0.000 1.042 94 V CA 0.835 63.006 62.300 -0.216 0.000 1.000 94 V CB -0.109 31.668 31.823 -0.077 0.000 1.015 94 V HN 1.504 nan 8.190 nan 0.000 0.478 95 G N 3.647 112.133 108.800 -0.524 0.000 2.164 95 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.154 95 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.154 95 G C 0.050 174.468 174.900 -0.804 0.000 1.014 95 G CA -0.120 44.730 45.100 -0.417 0.000 0.683 95 G HN 0.638 nan 8.290 nan 0.000 0.500 96 Q N 1.543 120.524 119.800 -1.365 0.000 2.295 96 Q HA 0.384 4.724 4.340 -0.001 0.000 0.259 96 Q C -2.145 173.530 176.000 -0.542 0.000 0.976 96 Q CA -1.900 53.176 55.803 -1.211 0.000 0.923 96 Q CB 1.176 29.133 28.738 -1.303 0.000 1.185 96 Q HN 0.200 nan 8.270 nan 0.000 0.410 97 P HA -0.069 nan 4.420 nan 0.000 0.263 97 P C -0.228 176.935 177.300 -0.228 0.000 1.195 97 P CA 0.777 63.629 63.100 -0.414 0.000 0.762 97 P CB 0.662 31.790 31.700 -0.953 0.000 0.799 98 I N 2.883 123.392 120.570 -0.102 0.000 3.194 98 I HA 0.115 4.284 4.170 -0.001 0.000 0.271 98 I C 0.953 177.213 176.117 0.238 0.000 1.150 98 I CA 0.474 61.818 61.300 0.072 0.000 1.440 98 I CB -0.009 38.083 38.000 0.153 0.000 1.276 98 I HN 0.236 nan 8.210 nan 0.000 0.457 99 F N 0.607 120.630 119.950 0.122 0.000 2.611 99 F HA 0.784 5.310 4.527 -0.001 0.000 0.324 99 F C -1.077 174.932 175.800 0.348 0.000 1.061 99 F CA -1.463 56.656 58.000 0.197 0.000 0.954 99 F CB 1.466 40.540 39.000 0.124 0.000 1.301 99 F HN -0.253 nan 8.300 nan 0.000 0.482 100 L N 2.813 124.329 121.223 0.489 0.000 2.362 100 L HA 0.781 5.121 4.340 -0.001 0.000 0.275 100 L C -1.546 175.574 176.870 0.416 0.000 0.998 100 L CA -0.660 54.418 54.840 0.396 0.000 0.820 100 L CB 1.948 44.262 42.059 0.426 0.000 1.270 100 L HN 0.640 nan 8.230 nan 0.000 0.415 101 V N 4.428 124.489 119.914 0.245 0.000 2.417 101 V HA 0.834 4.953 4.120 -0.001 0.000 0.291 101 V C 0.234 176.438 176.094 0.184 0.000 1.024 101 V CA -0.400 62.038 62.300 0.230 0.000 0.861 101 V CB 1.231 33.166 31.823 0.188 0.000 0.985 101 V HN 0.938 nan 8.190 nan 0.000 0.436 102 A N 3.903 126.854 122.820 0.219 0.000 2.288 102 A HA 0.972 5.292 4.320 -0.001 0.000 0.320 102 A C -0.012 177.651 177.584 0.131 0.000 1.217 102 A CA -0.041 52.107 52.037 0.186 0.000 0.840 102 A CB 1.135 20.296 19.000 0.268 0.000 1.179 102 A HN 1.499 nan 8.150 nan 0.000 0.504 103 A N 1.136 124.032 122.820 0.127 0.000 2.594 103 A HA 0.680 5.000 4.320 -0.001 0.000 0.291 103 A C 0.728 178.397 177.584 0.143 0.000 1.105 103 A CA 0.227 52.329 52.037 0.108 0.000 0.694 103 A CB 0.277 19.327 19.000 0.083 0.000 1.291 103 A HN 1.578 nan 8.150 nan 0.000 0.410 104 T N -1.210 113.412 114.554 0.113 0.000 3.155 104 T HA 0.291 4.640 4.350 -0.001 0.000 0.264 104 T C 0.610 175.382 174.700 0.121 0.000 1.160 104 T CA 1.105 63.283 62.100 0.131 0.000 1.075 104 T CB -1.001 67.914 68.868 0.079 0.000 0.921 104 T HN 1.936 nan 8.240 nan 0.000 0.533 105 S N -1.284 114.457 115.700 0.069 0.000 2.565 105 S HA 0.316 4.786 4.470 -0.001 0.000 0.269 105 S C 0.351 174.929 174.600 -0.037 0.000 1.153 105 S CA -0.842 57.291 58.200 -0.111 0.000 0.835 105 S CB 1.081 64.226 63.200 -0.091 0.000 1.122 105 S HN 0.227 nan 8.310 nan 0.000 0.462 106 H N 1.162 120.084 119.070 -0.247 0.000 2.389 106 H HA 0.014 4.569 4.556 -0.001 0.000 0.299 106 H C 1.695 177.008 175.328 -0.025 0.000 1.081 106 H CA 1.461 57.466 56.048 -0.071 0.000 1.345 106 H CB 0.053 29.761 29.762 -0.090 0.000 1.393 106 H HN 0.474 nan 8.280 nan 0.000 0.520 107 R N 0.486 120.959 120.500 -0.044 0.000 2.062 107 R HA -0.060 4.279 4.340 -0.001 0.000 0.231 107 R C 2.575 178.836 176.300 -0.066 0.000 1.136 107 R CA 1.033 57.093 56.100 -0.067 0.000 0.948 107 R CB -0.906 29.389 30.300 -0.009 0.000 0.845 107 R HN 0.359 nan 8.270 nan 0.000 0.430 108 A N 1.432 124.234 122.820 -0.030 0.000 1.892 108 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 108 A C 2.428 180.007 177.584 -0.007 0.000 1.188 108 A CA 2.285 54.318 52.037 -0.007 0.000 0.631 108 A CB -0.774 18.234 19.000 0.013 0.000 0.822 108 A HN 0.418 nan 8.150 nan 0.000 0.447 109 A N -0.268 122.542 122.820 -0.016 0.000 1.917 109 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 109 A C 2.282 179.837 177.584 -0.048 0.000 1.182 109 A CA 1.732 53.763 52.037 -0.009 0.000 0.633 109 A CB -0.498 18.505 19.000 0.005 0.000 0.819 109 A HN 0.603 nan 8.150 nan 0.000 0.448 110 R N -0.849 119.575 120.500 -0.127 0.000 2.062 110 R HA 0.046 4.386 4.340 -0.001 0.000 0.229 110 R C 2.096 178.375 176.300 -0.036 0.000 1.128 110 R CA 1.232 57.264 56.100 -0.114 0.000 0.960 110 R CB -0.632 29.557 30.300 -0.185 0.000 0.855 110 R HN 0.537 nan 8.270 nan 0.000 0.432 111 I N 1.471 122.025 120.570 -0.027 0.000 2.087 111 I HA -0.363 3.807 4.170 -0.001 0.000 0.240 111 I C 2.635 178.775 176.117 0.039 0.000 1.054 111 I CA 1.855 63.160 61.300 0.007 0.000 1.311 111 I CB -0.407 37.596 38.000 0.005 0.000 1.024 111 I HN 0.214 nan 8.210 nan 0.000 0.402 112 A N 0.195 123.046 122.820 0.053 0.000 2.015 112 A HA -0.068 4.251 4.320 -0.001 0.000 0.219 112 A C 2.438 180.133 177.584 0.186 0.000 1.163 112 A CA 1.446 53.542 52.037 0.099 0.000 0.646 112 A CB -0.770 18.289 19.000 0.099 0.000 0.806 112 A HN 0.473 nan 8.150 nan 0.000 0.448 113 A N -0.458 122.451 122.820 0.147 0.000 2.131 113 A HA -0.132 4.188 4.320 -0.001 0.000 0.220 113 A C 2.133 179.838 177.584 0.202 0.000 1.158 113 A CA 1.527 53.650 52.037 0.142 0.000 0.665 113 A CB -0.356 18.625 19.000 -0.033 0.000 0.795 113 A HN 0.539 nan 8.150 nan 0.000 0.460 114 R N -1.048 119.538 120.500 0.143 0.000 2.290 114 R HA 0.124 4.463 4.340 -0.001 0.000 0.197 114 R C 1.152 177.524 176.300 0.121 0.000 0.913 114 R CA 0.501 56.671 56.100 0.116 0.000 1.040 114 R CB 0.106 30.443 30.300 0.063 0.000 0.992 114 R HN 0.378 nan 8.270 nan 0.000 0.500 115 K N 0.361 120.836 120.400 0.124 0.000 2.417 115 K HA 0.219 4.538 4.320 -0.001 0.000 0.196 115 K C 0.153 176.770 176.600 0.028 0.000 1.023 115 K CA -0.209 56.117 56.287 0.064 0.000 1.122 115 K CB 0.959 33.483 32.500 0.041 0.000 0.850 115 K HN 0.054 nan 8.250 nan 0.000 0.521 116 A N 1.621 124.473 122.820 0.053 0.000 2.332 116 A HA 0.291 4.611 4.320 -0.001 0.000 0.258 116 A C -0.260 177.300 177.584 -0.039 0.000 1.087 116 A CA -0.230 51.758 52.037 -0.082 0.000 0.802 116 A CB 0.370 19.257 19.000 -0.189 0.000 1.042 116 A HN 0.237 nan 8.150 nan 0.000 0.489 117 R N 0.878 121.323 120.500 -0.092 0.000 2.371 117 R HA 0.491 4.830 4.340 -0.001 0.000 0.312 117 R C -1.396 174.837 176.300 -0.112 0.000 0.980 117 R CA -0.070 55.991 56.100 -0.066 0.000 0.867 117 R CB 1.122 31.387 30.300 -0.058 0.000 1.163 117 R HN 0.675 nan 8.270 nan 0.000 0.492 118 I N 2.292 122.791 120.570 -0.118 0.000 2.406 118 I HA 0.269 4.439 4.170 -0.001 0.000 0.290 118 I C 0.402 176.332 176.117 -0.312 0.000 0.999 118 I CA -0.819 60.309 61.300 -0.286 0.000 1.124 118 I CB 2.233 39.974 38.000 -0.432 0.000 1.289 118 I HN 0.491 nan 8.210 nan 0.000 0.441 119 T N 2.439 116.802 114.554 -0.317 0.000 2.771 119 T HA 0.620 4.969 4.350 -0.001 0.000 0.281 119 T C -0.840 173.699 174.700 -0.268 0.000 0.982 119 T CA -0.524 61.465 62.100 -0.185 0.000 0.978 119 T CB 0.671 69.489 68.868 -0.084 0.000 0.930 119 T HN 0.282 nan 8.240 nan 0.000 0.447 120 Y N 1.078 121.360 120.300 -0.029 0.000 2.509 120 Y HA 0.663 5.213 4.550 -0.001 0.000 0.341 120 Y C 0.341 176.222 175.900 -0.032 0.000 1.038 120 Y CA -1.680 56.397 58.100 -0.037 0.000 1.089 120 Y CB 1.826 40.256 38.460 -0.049 0.000 1.241 120 Y HN 0.922 nan 8.280 nan 0.000 0.468 121 A N 3.471 126.369 122.820 0.129 0.000 2.654 121 A HA 0.574 4.894 4.320 -0.001 0.000 0.345 121 A C -2.775 174.835 177.584 0.043 0.000 1.368 121 A CA -1.815 50.260 52.037 0.063 0.000 0.895 121 A CB -0.535 18.485 19.000 0.032 0.000 1.143 121 A HN 0.425 nan 8.150 nan 0.000 0.490 122 P HA 0.204 nan 4.420 nan 0.000 0.266 122 P C -0.078 177.215 177.300 -0.012 0.000 1.193 122 P CA 0.405 63.497 63.100 -0.013 0.000 0.770 122 P CB 0.496 32.180 31.700 -0.026 0.000 0.836 123 R N 2.179 122.665 120.500 -0.024 0.000 2.888 123 R HA 0.517 4.856 4.340 -0.001 0.000 0.266 123 R C -2.299 173.990 176.300 -0.017 0.000 1.020 123 R CA -2.006 54.084 56.100 -0.017 0.000 0.963 123 R CB 0.587 30.876 30.300 -0.018 0.000 1.197 123 R HN 0.362 nan 8.270 nan 0.000 0.481 124 P HA 0.073 nan 4.420 nan 0.000 0.266 124 P C -1.208 176.085 177.300 -0.011 0.000 1.215 124 P CA -0.019 63.076 63.100 -0.008 0.000 0.763 124 P CB 0.864 32.562 31.700 -0.004 0.000 0.806 125 A N 4.861 127.672 122.820 -0.015 0.000 2.306 125 A HA 0.524 4.844 4.320 -0.001 0.000 0.314 125 A C 0.311 177.883 177.584 -0.020 0.000 1.164 125 A CA -0.903 51.123 52.037 -0.017 0.000 0.822 125 A CB 0.386 19.368 19.000 -0.029 0.000 1.130 125 A HN 0.540 nan 8.150 nan 0.000 0.496 126 I N 3.596 124.154 120.570 -0.019 0.000 2.291 126 I HA 0.127 4.297 4.170 -0.001 0.000 0.292 126 I C 0.119 176.196 176.117 -0.067 0.000 1.064 126 I CA 0.208 61.486 61.300 -0.037 0.000 1.269 126 I CB 0.533 38.511 38.000 -0.037 0.000 1.418 126 I HN 0.658 nan 8.210 nan 0.000 0.485 127 L N 4.492 125.668 121.223 -0.079 0.000 2.672 127 L HA 0.159 4.498 4.340 -0.001 0.000 0.236 127 L C 0.892 177.674 176.870 -0.147 0.000 1.092 127 L CA 0.264 55.025 54.840 -0.133 0.000 0.887 127 L CB 0.371 42.368 42.059 -0.104 0.000 1.168 127 L HN 0.645 nan 8.230 nan 0.000 0.502 128 T N -3.315 111.184 114.554 -0.092 0.000 2.907 128 T HA 0.460 4.809 4.350 -0.001 0.000 0.292 128 T C 0.884 175.542 174.700 -0.070 0.000 1.043 128 T CA -0.641 61.413 62.100 -0.076 0.000 1.003 128 T CB 2.150 70.997 68.868 -0.035 0.000 1.084 128 T HN -0.070 nan 8.240 nan 0.000 0.483 129 L N 1.261 122.444 121.223 -0.067 0.000 2.013 129 L HA -0.062 4.277 4.340 -0.001 0.000 0.212 129 L C 2.592 179.424 176.870 -0.064 0.000 1.073 129 L CA 1.717 56.516 54.840 -0.069 0.000 0.753 129 L CB -0.764 41.258 42.059 -0.063 0.000 0.890 129 L HN 0.706 nan 8.230 nan 0.000 0.432 130 D N -0.332 120.039 120.400 -0.049 0.000 2.158 130 D HA -0.216 4.423 4.640 -0.001 0.000 0.197 130 D C 2.325 178.600 176.300 -0.042 0.000 0.995 130 D CA 1.406 55.380 54.000 -0.043 0.000 0.846 130 D CB -0.047 40.737 40.800 -0.026 0.000 0.941 130 D HN 0.529 nan 8.370 nan 0.000 0.456 131 Q N 0.210 119.986 119.800 -0.040 0.000 2.083 131 Q HA -0.018 4.321 4.340 -0.001 0.000 0.198 131 Q C 2.273 178.247 176.000 -0.044 0.000 0.969 131 Q CA 1.300 57.081 55.803 -0.037 0.000 0.838 131 Q CB -0.105 28.613 28.738 -0.034 0.000 0.900 131 Q HN 0.190 nan 8.270 nan 0.000 0.436 132 A N 0.680 123.466 122.820 -0.056 0.000 1.902 132 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 132 A C 2.005 179.554 177.584 -0.058 0.000 1.181 132 A CA 1.117 53.116 52.037 -0.064 0.000 0.623 132 A CB -0.520 18.434 19.000 -0.077 0.000 0.818 132 A HN 0.278 nan 8.150 nan 0.000 0.443 133 L N -0.400 120.785 121.223 -0.063 0.000 2.005 133 L HA -0.010 4.329 4.340 -0.001 0.000 0.207 133 L C 2.882 179.724 176.870 -0.047 0.000 1.072 133 L CA 2.014 56.813 54.840 -0.068 0.000 0.744 133 L CB -1.117 40.879 42.059 -0.106 0.000 0.895 133 L HN 0.370 nan 8.230 nan 0.000 0.433 134 A N -0.905 121.889 122.820 -0.042 0.000 1.986 134 A HA -0.139 4.181 4.320 -0.001 0.000 0.220 134 A C 2.151 179.721 177.584 -0.024 0.000 1.171 134 A CA 1.889 53.909 52.037 -0.029 0.000 0.640 134 A CB -0.851 18.134 19.000 -0.025 0.000 0.811 134 A HN 0.475 nan 8.150 nan 0.000 0.451 135 A N -1.862 120.941 122.820 -0.028 0.000 2.308 135 A HA 0.375 4.694 4.320 -0.001 0.000 0.217 135 A C 0.682 178.250 177.584 -0.027 0.000 1.216 135 A CA 0.935 52.957 52.037 -0.025 0.000 0.864 135 A CB -0.222 18.761 19.000 -0.027 0.000 0.902 135 A HN 0.460 nan 8.150 nan 0.000 0.499 136 D N -0.509 119.874 120.400 -0.028 0.000 2.737 136 D HA -0.163 4.476 4.640 -0.001 0.000 0.233 136 D C 0.114 176.385 176.300 -0.049 0.000 1.155 136 D CA 1.115 55.100 54.000 -0.025 0.000 0.667 136 D CB -1.318 39.474 40.800 -0.013 0.000 1.060 136 D HN 0.313 nan 8.370 nan 0.000 0.427 137 S N 0.277 115.935 115.700 -0.070 0.000 2.485 137 S HA 0.439 4.909 4.470 -0.001 0.000 0.312 137 S C 0.127 174.617 174.600 -0.183 0.000 1.102 137 S CA -0.480 57.647 58.200 -0.120 0.000 1.066 137 S CB 0.093 63.230 63.200 -0.106 0.000 1.102 137 S HN 0.422 nan 8.310 nan 0.000 0.519 138 R N 2.633 122.996 120.500 -0.228 0.000 2.831 138 R HA 0.597 4.936 4.340 -0.001 0.000 0.266 138 R C -1.524 174.565 176.300 -0.352 0.000 1.051 138 R CA -0.900 55.063 56.100 -0.227 0.000 0.943 138 R CB 0.630 30.898 30.300 -0.054 0.000 1.228 138 R HN 0.385 nan 8.270 nan 0.000 0.467 139 F N 0.479 120.421 119.950 -0.014 0.000 2.470 139 F HA 0.334 4.861 4.527 -0.001 0.000 0.329 139 F C 0.529 176.316 175.800 -0.021 0.000 1.072 139 F CA -0.247 57.739 58.000 -0.023 0.000 0.989 139 F CB 1.637 40.617 39.000 -0.035 0.000 1.193 139 F HN 0.844 nan 8.300 nan 0.000 0.481 140 E N 0.078 120.390 120.200 0.186 0.000 3.927 140 E HA -0.186 4.164 4.350 -0.001 0.000 0.330 140 E C 0.706 177.336 176.600 0.050 0.000 0.751 140 E CA 0.421 56.877 56.400 0.093 0.000 1.254 140 E CB -1.720 28.022 29.700 0.070 0.000 1.643 140 E HN 1.153 nan 8.360 nan 0.000 0.430 141 G N 0.132 108.956 108.800 0.040 0.000 2.370 141 G HA2 0.129 4.088 3.960 -0.001 0.000 0.293 141 G HA3 0.129 4.088 3.960 -0.001 0.000 0.293 141 G C 0.489 175.395 174.900 0.011 0.000 0.992 141 G CA 1.035 46.147 45.100 0.019 0.000 1.247 141 G HN 1.270 nan 8.290 nan 0.000 0.505 142 G N 0.296 109.100 108.800 0.006 0.000 2.576 142 G HA2 0.404 4.363 3.960 -0.001 0.000 0.686 142 G HA3 0.404 4.363 3.960 -0.001 0.000 0.686 142 G C -1.924 172.935 174.900 -0.069 0.000 1.242 142 G CA -0.204 44.888 45.100 -0.013 0.000 0.819 142 G HN 0.926 nan 8.290 nan 0.000 0.655 143 P HA 0.404 nan 4.420 nan 0.000 0.269 143 P C 0.157 177.325 177.300 -0.219 0.000 1.215 143 P CA -0.184 62.693 63.100 -0.372 0.000 0.780 143 P CB 1.125 32.299 31.700 -0.877 0.000 0.898 144 V N 4.077 123.864 119.914 -0.212 0.000 2.432 144 V HA 0.261 4.380 4.120 -0.001 0.000 0.275 144 V C 0.689 176.649 176.094 -0.222 0.000 1.043 144 V CA -0.189 62.007 62.300 -0.172 0.000 0.925 144 V CB 0.402 32.106 31.823 -0.198 0.000 0.985 144 V HN 0.351 nan 8.190 nan 0.000 0.466 145 I N 4.416 124.934 120.570 -0.087 0.000 2.436 145 I HA 0.460 4.630 4.170 -0.001 0.000 0.289 145 I C -1.070 175.200 176.117 0.256 0.000 1.010 145 I CA -0.391 60.907 61.300 -0.003 0.000 1.098 145 I CB 1.937 39.956 38.000 0.032 0.000 1.266 145 I HN 0.500 nan 8.210 nan 0.000 0.434 146 W N 4.649 126.001 121.300 0.087 0.000 2.736 146 W HA 0.767 5.427 4.660 -0.001 0.000 0.335 146 W C -0.372 176.224 176.519 0.129 0.000 1.059 146 W CA -1.538 55.883 57.345 0.127 0.000 1.226 146 W CB 1.927 31.505 29.460 0.198 0.000 1.416 146 W HN 0.408 nan 8.180 nan 0.000 0.505 147 A N 3.734 126.757 122.820 0.338 0.000 2.381 147 A HA 0.747 5.067 4.320 -0.001 0.000 0.299 147 A C -0.958 176.735 177.584 0.181 0.000 1.049 147 A CA -0.838 51.331 52.037 0.220 0.000 0.715 147 A CB 1.688 20.779 19.000 0.152 0.000 1.222 147 A HN 0.523 nan 8.150 nan 0.000 0.428 148 R N 2.451 123.054 120.500 0.171 0.000 2.439 148 R HA 0.588 4.928 4.340 -0.001 0.000 0.310 148 R C 0.628 176.977 176.300 0.082 0.000 0.955 148 R CA 0.856 57.033 56.100 0.129 0.000 0.853 148 R CB 1.170 31.569 30.300 0.165 0.000 1.171 148 R HN 2.164 nan 8.270 nan 0.000 0.449 149 G N 3.348 112.187 108.800 0.065 0.000 2.528 149 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.262 149 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.262 149 G C -0.843 174.083 174.900 0.044 0.000 1.200 149 G CA 0.465 45.593 45.100 0.047 0.000 0.951 149 G HN 0.639 nan 8.290 nan 0.000 0.566 150 D N -0.233 120.186 120.400 0.031 0.000 2.472 150 D HA 0.467 5.106 4.640 -0.001 0.000 0.248 150 D C 1.652 177.960 176.300 0.013 0.000 1.271 150 D CA 0.500 54.516 54.000 0.026 0.000 0.888 150 D CB 0.573 41.387 40.800 0.023 0.000 1.337 150 D HN 0.894 nan 8.370 nan 0.000 0.526 151 V N 1.355 121.275 119.914 0.011 0.000 2.278 151 V HA -0.260 3.860 4.120 -0.001 0.000 0.251 151 V C 2.194 178.280 176.094 -0.013 0.000 1.062 151 V CA 1.874 64.170 62.300 -0.007 0.000 1.038 151 V CB -0.830 30.988 31.823 -0.010 0.000 0.646 151 V HN 0.370 nan 8.190 nan 0.000 0.447 152 E N 0.904 121.102 120.200 -0.004 0.000 2.097 152 E HA -0.185 4.165 4.350 -0.001 0.000 0.196 152 E C 2.256 178.850 176.600 -0.010 0.000 1.000 152 E CA 2.319 58.715 56.400 -0.008 0.000 0.804 152 E CB -0.603 29.098 29.700 0.000 0.000 0.740 152 E HN 0.741 nan 8.360 nan 0.000 0.454 153 T N 0.000 114.552 114.554 -0.004 0.000 2.701 153 T HA -0.113 4.237 4.350 -0.001 0.000 0.263 153 T C 1.855 176.549 174.700 -0.009 0.000 1.040 153 T CA 1.349 63.447 62.100 -0.004 0.000 1.147 153 T CB -0.577 68.293 68.868 0.003 0.000 0.865 153 T HN 0.333 nan 8.240 nan 0.000 0.426 154 A N 1.507 124.321 122.820 -0.010 0.000 1.884 154 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 154 A C 2.308 179.878 177.584 -0.024 0.000 1.197 154 A CA 1.649 53.676 52.037 -0.015 0.000 0.637 154 A CB -1.057 17.931 19.000 -0.020 0.000 0.827 154 A HN 0.491 nan 8.150 nan 0.000 0.450 155 L N -1.020 120.184 121.223 -0.032 0.000 2.093 155 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 155 L C 3.090 179.938 176.870 -0.037 0.000 1.085 155 L CA 0.856 55.671 54.840 -0.041 0.000 0.755 155 L CB -0.647 41.381 42.059 -0.052 0.000 0.904 155 L HN 0.440 nan 8.230 nan 0.000 0.435 156 A N 0.377 123.179 122.820 -0.030 0.000 1.884 156 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 156 A C 1.660 179.226 177.584 -0.029 0.000 1.197 156 A CA 1.799 53.819 52.037 -0.028 0.000 0.637 156 A CB -1.216 17.772 19.000 -0.020 0.000 0.827 156 A HN 0.407 nan 8.150 nan 0.000 0.450 157 G N -0.786 107.999 108.800 -0.025 0.000 2.922 157 G HA2 0.564 4.523 3.960 -0.001 0.000 0.335 157 G HA3 0.564 4.523 3.960 -0.001 0.000 0.335 157 G C -0.455 174.429 174.900 -0.027 0.000 1.016 157 G CA 0.529 45.613 45.100 -0.026 0.000 1.306 157 G HN 1.001 nan 8.290 nan 0.000 0.465 158 A N 1.686 124.483 122.820 -0.039 0.000 2.411 158 A HA 0.733 5.053 4.320 -0.001 0.000 0.285 158 A C 1.088 178.635 177.584 -0.062 0.000 1.129 158 A CA 0.221 52.237 52.037 -0.035 0.000 0.736 158 A CB 1.063 20.045 19.000 -0.030 0.000 1.186 158 A HN 1.387 nan 8.150 nan 0.000 0.445 159 A N 1.740 124.524 122.820 -0.060 0.000 1.944 159 A HA -0.156 4.163 4.320 -0.001 0.000 0.222 159 A C 1.062 178.417 177.584 -0.382 0.000 1.237 159 A CA 1.827 53.770 52.037 -0.158 0.000 0.668 159 A CB -0.699 18.287 19.000 -0.023 0.000 0.830 159 A HN 0.848 nan 8.150 nan 0.000 0.471 160 H N -2.719 116.327 119.070 -0.039 0.000 2.731 160 H HA 0.748 5.304 4.556 -0.001 0.000 0.368 160 H C -1.277 174.013 175.328 -0.064 0.000 1.168 160 H CA -0.677 55.342 56.048 -0.048 0.000 1.181 160 H CB 1.631 31.365 29.762 -0.046 0.000 1.743 160 H HN 0.315 nan 8.280 nan 0.000 0.547 161 L N 0.869 122.116 121.223 0.040 0.000 2.549 161 L HA 0.557 4.896 4.340 -0.001 0.000 0.259 161 L C -1.484 175.331 176.870 -0.092 0.000 0.934 161 L CA -0.538 54.278 54.840 -0.041 0.000 0.865 161 L CB 1.804 43.825 42.059 -0.065 0.000 1.352 161 L HN 0.761 nan 8.230 nan 0.000 0.410 162 A N 4.001 126.728 122.820 -0.156 0.000 2.375 162 A HA 0.653 4.973 4.320 -0.001 0.000 0.291 162 A C -0.921 176.478 177.584 -0.308 0.000 1.160 162 A CA -0.585 51.246 52.037 -0.344 0.000 0.747 162 A CB 0.887 19.625 19.000 -0.436 0.000 1.170 162 A HN 0.664 nan 8.150 nan 0.000 0.458 163 E N 1.088 121.064 120.200 -0.374 0.000 2.280 163 E HA 0.714 5.063 4.350 -0.001 0.000 0.264 163 E C 0.263 176.494 176.600 -0.615 0.000 1.064 163 E CA -0.560 55.612 56.400 -0.380 0.000 0.900 163 E CB 1.877 31.427 29.700 -0.250 0.000 1.123 163 E HN 0.954 nan 8.360 nan 0.000 0.418 164 G N -0.575 107.700 108.800 -0.874 0.000 2.338 164 G HA2 0.374 4.333 3.960 -0.001 0.000 0.295 164 G HA3 0.374 4.333 3.960 -0.001 0.000 0.295 164 G C -1.727 172.684 174.900 -0.815 0.000 1.461 164 G CA -0.292 44.294 45.100 -0.856 0.000 0.817 164 G HN 0.740 nan 8.290 nan 0.000 0.556 165 C N 0.203 119.411 119.300 -0.153 0.000 3.090 165 C HA 0.971 5.430 4.460 -0.001 0.000 0.347 165 C C -1.270 173.975 174.990 0.425 0.000 1.147 165 C CA -0.734 58.348 59.018 0.106 0.000 1.305 165 C CB 0.237 27.998 27.740 0.035 0.000 1.692 165 C HN 1.980 nan 8.230 nan 0.000 0.506 166 F N 2.237 122.329 119.950 0.237 0.000 2.779 166 F HA 0.825 5.351 4.527 -0.001 0.000 0.316 166 F C -1.191 174.712 175.800 0.171 0.000 1.164 166 F CA -0.706 57.424 58.000 0.217 0.000 0.924 166 F CB 1.033 40.197 39.000 0.275 0.000 1.348 166 F HN 0.568 nan 8.300 nan 0.000 0.467 167 E N 2.095 122.373 120.200 0.130 0.000 2.191 167 E HA 0.570 4.920 4.350 -0.001 0.000 0.274 167 E C -1.015 175.577 176.600 -0.014 0.000 0.948 167 E CA -0.583 55.812 56.400 -0.007 0.000 0.802 167 E CB 2.888 32.646 29.700 0.098 0.000 1.137 167 E HN 0.647 nan 8.360 nan 0.000 0.397 168 I N 1.115 121.641 120.570 -0.074 0.000 2.439 168 I HA 0.299 4.469 4.170 -0.001 0.000 0.283 168 I C 0.612 176.788 176.117 0.097 0.000 1.023 168 I CA -0.943 60.327 61.300 -0.050 0.000 1.100 168 I CB 1.831 39.783 38.000 -0.081 0.000 1.238 168 I HN 0.444 nan 8.210 nan 0.000 0.445 169 G N 3.717 112.560 108.800 0.071 0.000 2.606 169 G HA2 0.460 4.420 3.960 -0.001 0.000 0.252 169 G HA3 0.460 4.420 3.960 -0.001 0.000 0.252 169 G C 0.536 175.652 174.900 0.359 0.000 1.206 169 G CA -0.076 45.137 45.100 0.188 0.000 0.861 169 G HN 0.729 nan 8.290 nan 0.000 0.561 170 G N -1.307 107.689 108.800 0.327 0.000 2.447 170 G HA2 0.455 4.415 3.960 -0.001 0.000 0.269 170 G HA3 0.455 4.415 3.960 -0.001 0.000 0.269 170 G C -0.113 174.942 174.900 0.259 0.000 1.455 170 G CA -0.043 45.230 45.100 0.289 0.000 1.061 170 G HN 0.766 nan 8.290 nan 0.000 0.545 171 Q N -1.504 118.339 119.800 0.072 0.000 2.429 171 Q HA 0.270 4.610 4.340 -0.001 0.000 0.247 171 Q C -1.700 174.303 176.000 0.006 0.000 0.915 171 Q CA -0.651 55.151 55.803 -0.002 0.000 0.971 171 Q CB 1.823 30.256 28.738 -0.507 0.000 1.468 171 Q HN 0.482 nan 8.270 nan 0.000 0.439 172 E N 1.486 121.656 120.200 -0.050 0.000 2.313 172 E HA 0.145 4.495 4.350 -0.001 0.000 0.276 172 E C -0.108 176.649 176.600 0.261 0.000 1.031 172 E CA 0.515 56.859 56.400 -0.093 0.000 0.857 172 E CB 0.704 30.034 29.700 -0.615 0.000 1.040 172 E HN 0.684 nan 8.360 nan 0.000 0.408 173 H N 3.843 123.021 119.070 0.180 0.000 2.293 173 H HA -0.010 4.545 4.556 -0.001 0.000 0.300 173 H C 0.238 175.527 175.328 -0.066 0.000 1.082 173 H CA 1.573 57.548 56.048 -0.121 0.000 1.308 173 H CB -0.279 29.235 29.762 -0.413 0.000 1.375 173 H HN 0.654 nan 8.280 nan 0.000 0.495 174 F N 0.092 119.839 119.950 -0.339 0.000 3.091 174 F HA -0.257 4.269 4.527 -0.001 0.000 0.288 174 F C -0.716 175.009 175.800 -0.126 0.000 0.907 174 F CA -0.339 57.508 58.000 -0.255 0.000 1.028 174 F CB -2.019 36.975 39.000 -0.010 0.000 1.022 174 F HN 0.173 nan 8.300 nan 0.000 0.665 175 Y N -0.479 119.923 120.300 0.169 0.000 2.881 175 Y HA 0.072 4.621 4.550 -0.001 0.000 0.335 175 Y C 1.181 177.072 175.900 -0.014 0.000 1.263 175 Y CA -0.768 57.465 58.100 0.221 0.000 1.572 175 Y CB -0.039 38.515 38.460 0.157 0.000 1.237 175 Y HN 0.151 nan 8.280 nan 0.000 0.568 176 L N 1.523 122.865 121.223 0.199 0.000 2.042 176 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 176 L C 1.237 178.093 176.870 -0.022 0.000 1.076 176 L CA 1.556 56.417 54.840 0.035 0.000 0.749 176 L CB -0.614 41.467 42.059 0.037 0.000 0.893 176 L HN 0.880 nan 8.230 nan 0.000 0.432 177 E N 0.058 120.239 120.200 -0.031 0.000 2.223 177 E HA 0.278 4.628 4.350 -0.001 0.000 0.282 177 E C 0.128 176.731 176.600 0.006 0.000 1.046 177 E CA -0.215 56.128 56.400 -0.094 0.000 0.857 177 E CB 0.989 30.561 29.700 -0.214 0.000 1.055 177 E HN 0.240 nan 8.360 nan 0.000 0.409 178 G N 3.316 112.131 108.800 0.025 0.000 2.616 178 G HA2 0.022 3.982 3.960 -0.001 0.000 0.268 178 G HA3 0.022 3.982 3.960 -0.001 0.000 0.268 178 G C -0.144 174.658 174.900 -0.164 0.000 1.213 178 G CA -0.559 44.594 45.100 0.089 0.000 0.926 178 G HN 0.556 nan 8.290 nan 0.000 0.523 179 Q N -0.722 118.966 119.800 -0.187 0.000 2.315 179 Q HA 0.398 4.737 4.340 -0.001 0.000 0.289 179 Q C 0.110 175.931 176.000 -0.298 0.000 1.044 179 Q CA 0.724 56.349 55.803 -0.296 0.000 0.920 179 Q CB 1.038 29.606 28.738 -0.284 0.000 1.214 179 Q HN 0.765 nan 8.270 nan 0.000 0.392 180 A N 0.587 123.253 122.820 -0.256 0.000 2.594 180 A HA 0.798 5.117 4.320 -0.001 0.000 0.296 180 A C -1.670 175.831 177.584 -0.138 0.000 1.056 180 A CA 0.058 51.979 52.037 -0.192 0.000 0.693 180 A CB 1.625 20.550 19.000 -0.125 0.000 1.278 180 A HN 0.781 nan 8.150 nan 0.000 0.408 181 A N 0.188 122.938 122.820 -0.117 0.000 2.612 181 A HA 0.880 5.200 4.320 -0.001 0.000 0.293 181 A C -1.972 175.576 177.584 -0.060 0.000 1.075 181 A CA -0.303 51.688 52.037 -0.076 0.000 0.680 181 A CB 1.478 20.426 19.000 -0.086 0.000 1.279 181 A HN 2.351 nan 8.150 nan 0.000 0.411 182 L N 0.578 121.785 121.223 -0.026 0.000 2.505 182 L HA 0.844 5.183 4.340 -0.001 0.000 0.266 182 L C -0.534 176.334 176.870 -0.003 0.000 0.954 182 L CA 0.069 54.899 54.840 -0.017 0.000 0.852 182 L CB 1.724 43.794 42.059 0.019 0.000 1.282 182 L HN 1.552 nan 8.230 nan 0.000 0.403 183 A N 5.877 128.679 122.820 -0.030 0.000 2.303 183 A HA 0.843 5.162 4.320 -0.001 0.000 0.320 183 A C -1.357 176.215 177.584 -0.020 0.000 1.192 183 A CA -0.455 51.562 52.037 -0.034 0.000 0.821 183 A CB 0.824 19.793 19.000 -0.051 0.000 1.188 183 A HN 0.703 nan 8.150 nan 0.000 0.492 184 L N 3.519 124.734 121.223 -0.014 0.000 2.342 184 L HA 0.365 4.704 4.340 -0.001 0.000 0.276 184 L C -2.526 174.334 176.870 -0.016 0.000 0.997 184 L CA -2.008 52.831 54.840 -0.002 0.000 0.838 184 L CB 1.937 44.014 42.059 0.030 0.000 1.224 184 L HN 0.400 nan 8.230 nan 0.000 0.416 185 P HA -0.005 nan 4.420 nan 0.000 0.257 185 P C -0.470 176.822 177.300 -0.014 0.000 1.189 185 P CA 0.263 63.355 63.100 -0.013 0.000 0.780 185 P CB 0.675 32.373 31.700 -0.005 0.000 0.772 186 A N 4.379 127.186 122.820 -0.022 0.000 2.923 186 A HA 0.295 4.614 4.320 -0.001 0.000 0.343 186 A C 0.100 177.668 177.584 -0.027 0.000 1.199 186 A CA -0.607 51.415 52.037 -0.024 0.000 0.878 186 A CB -0.506 18.474 19.000 -0.034 0.000 1.104 186 A HN 0.678 nan 8.150 nan 0.000 0.483 187 E N 0.689 120.877 120.200 -0.019 0.000 1.820 187 E HA -0.207 4.143 4.350 -0.001 0.000 0.296 187 E C 0.914 177.500 176.600 -0.024 0.000 1.702 187 E CA 0.663 57.052 56.400 -0.018 0.000 1.076 187 E CB -1.649 28.040 29.700 -0.018 0.000 0.745 187 E HN 2.096 nan 8.360 nan 0.000 0.333 188 G N 2.297 111.086 108.800 -0.017 0.000 4.039 188 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.220 188 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.220 188 G C 0.693 175.578 174.900 -0.027 0.000 1.391 188 G CA 0.484 45.572 45.100 -0.020 0.000 0.920 188 G HN 1.343 nan 8.290 nan 0.000 0.599 189 G N -0.510 108.266 108.800 -0.040 0.000 2.525 189 G HA2 0.743 4.703 3.960 -0.001 0.000 0.287 189 G HA3 0.743 4.703 3.960 -0.001 0.000 0.287 189 G C -0.060 174.814 174.900 -0.042 0.000 1.350 189 G CA 0.982 46.054 45.100 -0.046 0.000 1.039 189 G HN 1.842 nan 8.290 nan 0.000 0.513 190 V N -3.189 116.694 119.914 -0.052 0.000 2.925 190 V HA 0.793 4.913 4.120 -0.001 0.000 0.311 190 V C -0.587 175.460 176.094 -0.078 0.000 1.104 190 V CA -0.980 61.286 62.300 -0.057 0.000 0.954 190 V CB 1.533 33.321 31.823 -0.058 0.000 1.022 190 V HN 0.576 nan 8.190 nan 0.000 0.427 191 V N 4.343 124.206 119.914 -0.086 0.000 2.630 191 V HA 0.631 4.751 4.120 -0.001 0.000 0.305 191 V C -0.495 175.501 176.094 -0.163 0.000 1.046 191 V CA -0.532 61.682 62.300 -0.142 0.000 0.934 191 V CB 1.733 33.461 31.823 -0.158 0.000 1.003 191 V HN 0.769 nan 8.190 nan 0.000 0.451 192 I N 3.596 124.028 120.570 -0.230 0.000 2.439 192 I HA 0.415 4.584 4.170 -0.001 0.000 0.285 192 I C -0.356 175.589 176.117 -0.286 0.000 1.021 192 I CA -0.476 60.713 61.300 -0.185 0.000 1.091 192 I CB 1.360 39.282 38.000 -0.130 0.000 1.242 192 I HN 0.607 nan 8.210 nan 0.000 0.439 193 H N 5.287 124.327 119.070 -0.051 0.000 2.489 193 H HA 0.608 5.164 4.556 -0.001 0.000 0.322 193 H C -0.025 175.271 175.328 -0.054 0.000 1.091 193 H CA -0.224 55.795 56.048 -0.047 0.000 1.291 193 H CB 2.335 32.071 29.762 -0.043 0.000 1.436 193 H HN 0.824 nan 8.280 nan 0.000 0.480 194 C N 0.637 119.967 119.300 0.049 0.000 3.312 194 C HA 0.366 4.826 4.460 -0.001 0.000 0.332 194 C C 0.474 175.454 174.990 -0.017 0.000 1.340 194 C CA -1.091 57.924 59.018 -0.004 0.000 1.265 194 C CB 1.316 29.032 27.740 -0.039 0.000 1.563 194 C HN 0.711 nan 8.230 nan 0.000 0.471 195 S N 1.716 117.384 115.700 -0.053 0.000 3.869 195 S HA 0.555 5.025 4.470 -0.001 0.000 0.241 195 S C -0.051 174.488 174.600 -0.103 0.000 1.363 195 S CA 0.280 58.438 58.200 -0.070 0.000 0.894 195 S CB -0.999 62.138 63.200 -0.105 0.000 1.519 195 S HN 1.223 nan 8.310 nan 0.000 0.470 196 S N 2.595 118.255 115.700 -0.066 0.000 2.548 196 S HA 0.409 4.878 4.470 -0.001 0.000 0.286 196 S C 0.393 174.970 174.600 -0.039 0.000 1.098 196 S CA -0.670 57.495 58.200 -0.057 0.000 0.930 196 S CB 1.515 64.697 63.200 -0.030 0.000 1.070 196 S HN 0.684 nan 8.310 nan 0.000 0.480 197 Q N 1.555 121.336 119.800 -0.032 0.000 2.360 197 Q HA 0.166 4.506 4.340 -0.001 0.000 0.202 197 Q C -0.110 175.899 176.000 0.016 0.000 0.915 197 Q CA 0.365 56.152 55.803 -0.028 0.000 0.943 197 Q CB 0.175 28.883 28.738 -0.050 0.000 1.064 197 Q HN 0.760 nan 8.270 nan 0.000 0.511 198 H N -0.044 119.005 119.070 -0.037 0.000 2.511 198 H HA 0.152 4.708 4.556 -0.001 0.000 0.228 198 H C -2.055 173.245 175.328 -0.047 0.000 1.424 198 H CA -2.176 53.853 56.048 -0.032 0.000 1.321 198 H CB 1.018 30.764 29.762 -0.026 0.000 1.720 198 H HN -0.005 nan 8.280 nan 0.000 0.512 199 P HA -0.172 nan 4.420 nan 0.000 0.216 199 P C 1.520 178.821 177.300 0.002 0.000 1.150 199 P CA 1.174 64.290 63.100 0.027 0.000 0.843 199 P CB 0.393 32.097 31.700 0.006 0.000 0.787 200 S N -0.370 115.377 115.700 0.079 0.000 2.356 200 S HA -0.212 4.258 4.470 -0.001 0.000 0.223 200 S C 1.981 176.502 174.600 -0.131 0.000 1.032 200 S CA 1.450 59.660 58.200 0.017 0.000 1.005 200 S CB -0.809 62.464 63.200 0.122 0.000 0.867 200 S HN 0.317 nan 8.310 nan 0.000 0.449 201 E N 0.778 120.792 120.200 -0.310 0.000 2.085 201 E HA -0.141 4.209 4.350 -0.001 0.000 0.194 201 E C 1.899 178.334 176.600 -0.275 0.000 0.994 201 E CA 1.119 57.229 56.400 -0.484 0.000 0.801 201 E CB -0.103 29.070 29.700 -0.879 0.000 0.743 201 E HN 0.310 nan 8.360 nan 0.000 0.453 202 I N 1.140 121.598 120.570 -0.187 0.000 2.151 202 I HA -0.315 3.855 4.170 -0.001 0.000 0.243 202 I C 2.595 178.604 176.117 -0.181 0.000 1.080 202 I CA 1.604 62.820 61.300 -0.141 0.000 1.339 202 I CB -1.281 36.662 38.000 -0.094 0.000 1.039 202 I HN 0.393 nan 8.210 nan 0.000 0.409 203 Q N 0.065 119.738 119.800 -0.212 0.000 2.084 203 Q HA -0.278 4.061 4.340 -0.001 0.000 0.202 203 Q C 2.342 178.033 176.000 -0.515 0.000 0.978 203 Q CA 1.988 57.613 55.803 -0.296 0.000 0.844 203 Q CB -0.176 28.401 28.738 -0.268 0.000 0.898 203 Q HN 0.642 nan 8.270 nan 0.000 0.426 204 H N -0.386 118.248 119.070 -0.726 0.000 2.357 204 H HA -0.042 4.513 4.556 -0.001 0.000 0.301 204 H C 1.799 176.706 175.328 -0.702 0.000 1.082 204 H CA 1.343 56.754 56.048 -1.061 0.000 1.342 204 H CB 0.402 29.780 29.762 -0.641 0.000 1.389 204 H HN 0.017 nan 8.280 nan 0.000 0.511 205 K N 0.198 120.507 120.400 -0.151 0.000 2.076 205 K HA -0.039 4.281 4.320 -0.001 0.000 0.204 205 K C 2.306 178.857 176.600 -0.083 0.000 1.051 205 K CA 0.926 57.183 56.287 -0.051 0.000 0.949 205 K CB -0.401 32.059 32.500 -0.066 0.000 0.726 205 K HN 0.207 nan 8.250 nan 0.000 0.443 206 V N 2.122 121.955 119.914 -0.134 0.000 2.392 206 V HA -0.274 3.846 4.120 -0.001 0.000 0.249 206 V C 2.524 178.551 176.094 -0.111 0.000 1.059 206 V CA 2.027 64.263 62.300 -0.106 0.000 1.051 206 V CB -0.874 30.878 31.823 -0.117 0.000 0.658 206 V HN 0.286 nan 8.190 nan 0.000 0.455 207 A N -0.618 122.073 122.820 -0.216 0.000 1.845 207 A HA -0.273 4.047 4.320 -0.001 0.000 0.215 207 A C 2.014 179.578 177.584 -0.033 0.000 1.195 207 A CA 2.190 54.124 52.037 -0.172 0.000 0.616 207 A CB -0.999 17.803 19.000 -0.330 0.000 0.832 207 A HN 0.708 nan 8.150 nan 0.000 0.443 208 H N -0.712 118.362 119.070 0.007 0.000 2.387 208 H HA -0.030 4.526 4.556 -0.001 0.000 0.299 208 H C 2.427 177.777 175.328 0.037 0.000 1.099 208 H CA 0.751 56.824 56.048 0.041 0.000 1.315 208 H CB -0.020 29.797 29.762 0.091 0.000 1.380 208 H HN 0.565 nan 8.280 nan 0.000 0.513 209 A N 0.682 123.586 122.820 0.140 0.000 1.972 209 A HA -0.108 4.212 4.320 -0.001 0.000 0.219 209 A C 2.176 179.824 177.584 0.106 0.000 1.169 209 A CA 1.203 53.306 52.037 0.110 0.000 0.635 209 A CB -0.338 18.694 19.000 0.054 0.000 0.810 209 A HN 0.332 nan 8.150 nan 0.000 0.446 210 L N -2.051 119.183 121.223 0.017 0.000 2.513 210 L HA 0.250 4.590 4.340 -0.001 0.000 0.222 210 L C 1.458 178.124 176.870 -0.340 0.000 1.096 210 L CA 0.520 55.335 54.840 -0.042 0.000 0.857 210 L CB 0.033 42.067 42.059 -0.041 0.000 1.026 210 L HN 0.557 nan 8.230 nan 0.000 0.469 211 G N 1.417 109.946 108.800 -0.451 0.000 2.248 211 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.263 211 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.263 211 G C -0.365 174.380 174.900 -0.258 0.000 1.082 211 G CA -0.116 44.575 45.100 -0.682 0.000 0.863 211 G HN 0.181 nan 8.290 nan 0.000 0.495 212 L N -0.466 120.704 121.223 -0.089 0.000 2.354 212 L HA 0.847 5.186 4.340 -0.001 0.000 0.264 212 L C 0.864 177.785 176.870 0.086 0.000 1.008 212 L CA -0.889 53.951 54.840 -0.000 0.000 0.819 212 L CB 2.006 44.066 42.059 0.001 0.000 1.339 212 L HN 0.367 nan 8.230 nan 0.000 0.420 213 A N 0.724 123.618 122.820 0.123 0.000 2.445 213 A HA 0.260 4.579 4.320 -0.001 0.000 0.242 213 A C 0.767 178.532 177.584 0.301 0.000 1.075 213 A CA -0.096 52.014 52.037 0.123 0.000 0.777 213 A CB 0.002 18.969 19.000 -0.055 0.000 1.013 213 A HN 0.611 nan 8.150 nan 0.000 0.493 214 F N 1.067 120.972 119.950 -0.075 0.000 2.115 214 F HA -0.265 4.262 4.527 -0.001 0.000 0.300 214 F C 2.317 178.150 175.800 0.055 0.000 1.092 214 F CA 2.371 60.330 58.000 -0.068 0.000 1.245 214 F CB -1.432 37.497 39.000 -0.119 0.000 0.995 214 F HN 0.922 nan 8.300 nan 0.000 0.481 215 H N -2.349 116.794 119.070 0.122 0.000 2.568 215 H HA -0.044 4.511 4.556 -0.001 0.000 0.281 215 H C 0.695 176.032 175.328 0.015 0.000 1.028 215 H CA 0.856 56.931 56.048 0.046 0.000 1.199 215 H CB -0.294 29.480 29.762 0.020 0.000 1.352 215 H HN 0.138 nan 8.280 nan 0.000 0.605 216 D N 1.020 121.511 120.400 0.152 0.000 2.398 216 D HA 0.148 4.787 4.640 -0.001 0.000 0.210 216 D C -0.491 175.795 176.300 -0.023 0.000 1.094 216 D CA 0.089 54.078 54.000 -0.018 0.000 0.839 216 D CB 1.171 41.979 40.800 0.013 0.000 0.963 216 D HN 0.178 nan 8.370 nan 0.000 0.506 217 V N 1.288 121.194 119.914 -0.013 0.000 2.443 217 V HA 0.365 4.485 4.120 -0.001 0.000 0.293 217 V C -0.129 175.921 176.094 -0.074 0.000 1.021 217 V CA -0.896 61.365 62.300 -0.065 0.000 0.848 217 V CB 2.621 34.379 31.823 -0.109 0.000 0.998 217 V HN -0.124 nan 8.190 nan 0.000 0.424 218 R N 3.800 124.246 120.500 -0.089 0.000 2.437 218 R HA 0.802 5.142 4.340 -0.001 0.000 0.310 218 R C -1.865 174.355 176.300 -0.133 0.000 0.955 218 R CA -0.402 55.641 56.100 -0.095 0.000 0.851 218 R CB 2.047 32.293 30.300 -0.089 0.000 1.161 218 R HN 0.508 nan 8.270 nan 0.000 0.446 219 V N 4.181 124.022 119.914 -0.121 0.000 2.409 219 V HA 0.353 4.472 4.120 -0.001 0.000 0.291 219 V C -0.438 175.579 176.094 -0.128 0.000 1.020 219 V CA -0.691 61.526 62.300 -0.139 0.000 0.848 219 V CB 1.666 33.425 31.823 -0.107 0.000 0.990 219 V HN 0.824 nan 8.190 nan 0.000 0.430 220 E N 4.271 124.361 120.200 -0.183 0.000 2.195 220 E HA 0.737 5.086 4.350 -0.001 0.000 0.271 220 E C -0.795 175.794 176.600 -0.019 0.000 0.923 220 E CA -0.901 55.438 56.400 -0.102 0.000 0.790 220 E CB 2.386 32.015 29.700 -0.118 0.000 1.155 220 E HN 0.607 nan 8.360 nan 0.000 0.402 221 M N 2.517 122.125 119.600 0.013 0.000 2.213 221 M HA 0.290 4.770 4.480 -0.001 0.000 0.243 221 M C -0.607 175.712 176.300 0.032 0.000 0.979 221 M CA -0.402 54.916 55.300 0.029 0.000 1.037 221 M CB 1.375 33.977 32.600 0.003 0.000 2.200 221 M HN 0.324 nan 8.290 nan 0.000 0.465 222 R N 3.303 123.823 120.500 0.034 0.000 2.100 222 R HA 0.385 4.725 4.340 -0.001 0.000 0.220 222 R C -0.352 175.982 176.300 0.056 0.000 1.091 222 R CA 1.841 57.957 56.100 0.027 0.000 0.986 222 R CB 0.418 30.709 30.300 -0.015 0.000 0.888 222 R HN 0.775 nan 8.270 nan 0.000 0.444 223 R N -1.638 118.873 120.500 0.019 0.000 2.739 223 R HA 0.344 4.683 4.340 -0.001 0.000 0.266 223 R C -1.428 174.923 176.300 0.085 0.000 1.044 223 R CA -0.783 55.340 56.100 0.039 0.000 0.885 223 R CB 0.688 30.979 30.300 -0.014 0.000 1.260 223 R HN -0.030 nan 8.270 nan 0.000 0.477 224 M N 0.909 120.580 119.600 0.119 0.000 2.528 224 M HA 0.435 4.915 4.480 -0.001 0.000 0.321 224 M C 0.512 176.944 176.300 0.220 0.000 1.153 224 M CA -0.708 54.676 55.300 0.140 0.000 0.951 224 M CB 2.395 34.983 32.600 -0.021 0.000 1.705 224 M HN 0.888 nan 8.290 nan 0.000 0.451 225 G N 1.563 110.433 108.800 0.117 0.000 3.209 225 G HA2 0.515 4.474 3.960 -0.001 0.000 0.274 225 G HA3 0.515 4.474 3.960 -0.001 0.000 0.274 225 G C 0.313 175.188 174.900 -0.042 0.000 0.850 225 G CA 0.193 45.223 45.100 -0.118 0.000 1.907 225 G HN 1.104 nan 8.290 nan 0.000 0.591 226 G N -0.666 108.109 108.800 -0.042 0.000 2.692 226 G HA2 0.383 4.342 3.960 -0.001 0.000 0.686 226 G HA3 0.383 4.342 3.960 -0.001 0.000 0.686 226 G C 0.533 175.346 174.900 -0.145 0.000 1.243 226 G CA -0.212 44.832 45.100 -0.095 0.000 0.782 226 G HN 1.437 nan 8.290 nan 0.000 0.625 227 G N -0.888 107.694 108.800 -0.363 0.000 2.920 227 G HA2 0.519 4.479 3.960 -0.001 0.000 0.215 227 G HA3 0.519 4.479 3.960 -0.001 0.000 0.215 227 G C 0.823 175.746 174.900 0.038 0.000 1.523 227 G CA 0.809 45.820 45.100 -0.149 0.000 0.667 227 G HN 1.804 nan 8.290 nan 0.000 1.029 228 F N 0.969 120.912 119.950 -0.012 0.000 3.093 228 F HA -0.169 4.358 4.527 -0.001 0.000 0.283 228 F C 1.944 177.665 175.800 -0.131 0.000 0.848 228 F CA 1.274 59.228 58.000 -0.076 0.000 1.059 228 F CB -1.528 37.393 39.000 -0.131 0.000 1.191 228 F HN 1.303 nan 8.300 nan 0.000 0.514 229 G N -1.446 107.373 108.800 0.033 0.000 2.253 229 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.209 229 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.209 229 G C 1.004 175.892 174.900 -0.019 0.000 0.997 229 G CA -0.154 44.987 45.100 0.069 0.000 0.640 229 G HN 1.184 nan 8.290 nan 0.000 0.496 230 G N -0.137 108.458 108.800 -0.343 0.000 2.985 230 G HA2 0.382 4.341 3.960 -0.001 0.000 0.209 230 G HA3 0.382 4.341 3.960 -0.001 0.000 0.209 230 G C 0.952 175.701 174.900 -0.252 0.000 1.165 230 G CA 0.988 45.681 45.100 -0.678 0.000 0.776 230 G HN 0.446 nan 8.290 nan 0.000 0.541 231 K N -0.152 120.142 120.400 -0.175 0.000 2.506 231 K HA 0.196 4.516 4.320 -0.001 0.000 0.204 231 K C 1.335 177.909 176.600 -0.042 0.000 1.045 231 K CA -0.134 56.069 56.287 -0.140 0.000 1.074 231 K CB 0.729 33.100 32.500 -0.215 0.000 0.842 231 K HN 0.268 nan 8.250 nan 0.000 0.514 232 E N 0.481 120.686 120.200 0.007 0.000 2.152 232 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 232 E C 1.323 177.999 176.600 0.126 0.000 0.983 232 E CA 1.655 58.108 56.400 0.088 0.000 0.818 232 E CB 0.381 30.156 29.700 0.125 0.000 0.758 232 E HN 0.253 nan 8.360 nan 0.000 0.467 233 S N -1.720 114.031 115.700 0.086 0.000 2.874 233 S HA 0.016 4.486 4.470 -0.001 0.000 0.271 233 S C 1.279 175.939 174.600 0.100 0.000 1.061 233 S CA -0.579 57.670 58.200 0.080 0.000 1.029 233 S CB -0.100 63.154 63.200 0.090 0.000 0.925 233 S HN 0.053 nan 8.310 nan 0.000 0.459 234 Q N 1.867 121.729 119.800 0.103 0.000 2.591 234 Q HA 0.161 4.500 4.340 -0.001 0.000 0.219 234 Q C 1.534 177.627 176.000 0.155 0.000 0.981 234 Q CA 1.074 56.972 55.803 0.158 0.000 0.945 234 Q CB -0.947 27.865 28.738 0.124 0.000 0.985 234 Q HN 0.751 nan 8.270 nan 0.000 0.542 235 G N 0.468 109.316 108.800 0.079 0.000 2.777 235 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.211 235 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.211 235 G C 1.214 176.159 174.900 0.076 0.000 1.149 235 G CA -0.138 44.982 45.100 0.033 0.000 0.785 235 G HN 0.396 nan 8.290 nan 0.000 0.536 236 N N 0.335 119.104 118.700 0.116 0.000 2.084 236 N HA -0.149 4.591 4.740 -0.001 0.000 0.190 236 N C 1.807 177.373 175.510 0.093 0.000 1.030 236 N CA 1.154 54.236 53.050 0.053 0.000 0.849 236 N CB -0.197 38.274 38.487 -0.026 0.000 1.012 236 N HN 0.346 nan 8.380 nan 0.000 0.423 237 H N 0.496 119.655 119.070 0.149 0.000 2.387 237 H HA -0.043 4.512 4.556 -0.001 0.000 0.299 237 H C 1.902 177.404 175.328 0.290 0.000 1.090 237 H CA 0.858 57.058 56.048 0.254 0.000 1.332 237 H CB -0.257 29.710 29.762 0.342 0.000 1.386 237 H HN 0.130 nan 8.280 nan 0.000 0.516 238 L N 0.038 121.434 121.223 0.289 0.000 2.044 238 L HA -0.050 4.289 4.340 -0.001 0.000 0.205 238 L C 2.665 179.545 176.870 0.018 0.000 1.075 238 L CA 1.522 56.406 54.840 0.074 0.000 0.747 238 L CB -0.791 41.186 42.059 -0.136 0.000 0.903 238 L HN 0.307 nan 8.230 nan 0.000 0.435 239 A N -0.367 122.458 122.820 0.009 0.000 1.933 239 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 239 A C 2.337 179.910 177.584 -0.018 0.000 1.175 239 A CA 1.577 53.599 52.037 -0.025 0.000 0.628 239 A CB -0.760 18.215 19.000 -0.042 0.000 0.814 239 A HN 0.343 nan 8.150 nan 0.000 0.444 240 I N -0.289 120.290 120.570 0.015 0.000 2.142 240 I HA -0.284 3.886 4.170 -0.001 0.000 0.240 240 I C 2.985 179.109 176.117 0.011 0.000 1.078 240 I CA 1.138 62.446 61.300 0.014 0.000 1.343 240 I CB -0.274 37.742 38.000 0.027 0.000 1.046 240 I HN 0.349 nan 8.210 nan 0.000 0.405 241 A N -0.461 122.401 122.820 0.070 0.000 1.940 241 A HA -0.259 4.061 4.320 -0.001 0.000 0.219 241 A C 2.424 179.957 177.584 -0.085 0.000 1.176 241 A CA 1.973 54.026 52.037 0.028 0.000 0.631 241 A CB -1.268 17.777 19.000 0.074 0.000 0.814 241 A HN 0.561 nan 8.150 nan 0.000 0.446 242 C N -1.452 117.807 119.300 -0.069 0.000 2.476 242 C HA 0.148 4.607 4.460 -0.001 0.000 0.278 242 C C 3.352 178.290 174.990 -0.086 0.000 1.274 242 C CA 0.734 59.701 59.018 -0.085 0.000 1.713 242 C CB -1.190 26.506 27.740 -0.074 0.000 2.039 242 C HN 0.709 nan 8.230 nan 0.000 0.484 243 A N 0.197 122.973 122.820 -0.073 0.000 1.855 243 A HA -0.096 4.224 4.320 -0.001 0.000 0.215 243 A C 2.279 179.815 177.584 -0.080 0.000 1.191 243 A CA 2.134 54.131 52.037 -0.066 0.000 0.613 243 A CB -0.962 18.004 19.000 -0.056 0.000 0.829 243 A HN 0.325 nan 8.150 nan 0.000 0.442 244 V N 0.045 119.897 119.914 -0.104 0.000 2.250 244 V HA -0.343 3.776 4.120 -0.001 0.000 0.250 244 V C 3.070 179.011 176.094 -0.254 0.000 1.060 244 V CA 2.347 64.554 62.300 -0.154 0.000 1.030 244 V CB -1.303 30.405 31.823 -0.191 0.000 0.643 244 V HN 0.639 nan 8.190 nan 0.000 0.445 245 A N -0.536 122.071 122.820 -0.354 0.000 1.933 245 A HA -0.063 4.257 4.320 -0.001 0.000 0.218 245 A C 2.387 179.940 177.584 -0.053 0.000 1.175 245 A CA 2.049 53.895 52.037 -0.319 0.000 0.628 245 A CB -0.696 18.167 19.000 -0.228 0.000 0.814 245 A HN 0.602 nan 8.150 nan 0.000 0.444 246 A N -0.192 122.595 122.820 -0.055 0.000 1.858 246 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 246 A C 2.240 179.828 177.584 0.006 0.000 1.190 246 A CA 1.662 53.690 52.037 -0.015 0.000 0.617 246 A CB -0.630 18.353 19.000 -0.029 0.000 0.827 246 A HN 0.519 nan 8.150 nan 0.000 0.443 247 R N -0.350 120.147 120.500 -0.006 0.000 2.134 247 R HA -0.249 4.090 4.340 -0.001 0.000 0.248 247 R C 2.208 178.541 176.300 0.055 0.000 1.143 247 R CA 1.994 58.106 56.100 0.019 0.000 0.957 247 R CB -0.435 29.875 30.300 0.017 0.000 0.867 247 R HN 0.492 nan 8.270 nan 0.000 0.441 248 A N -0.199 122.669 122.820 0.081 0.000 1.843 248 A HA -0.106 4.213 4.320 -0.001 0.000 0.213 248 A C 2.222 179.897 177.584 0.151 0.000 1.202 248 A CA 1.766 53.903 52.037 0.167 0.000 0.607 248 A CB -0.983 18.230 19.000 0.356 0.000 0.847 248 A HN 0.624 nan 8.150 nan 0.000 0.445 249 T N -3.386 111.266 114.554 0.162 0.000 2.962 249 T HA 0.261 4.610 4.350 -0.001 0.000 0.270 249 T C 1.541 176.285 174.700 0.072 0.000 1.088 249 T CA 1.427 63.599 62.100 0.119 0.000 1.127 249 T CB -0.573 68.368 68.868 0.122 0.000 0.883 249 T HN 1.841 nan 8.240 nan 0.000 0.493 250 G N 1.215 110.050 108.800 0.058 0.000 2.143 250 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.248 250 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.248 250 G C 0.067 174.984 174.900 0.028 0.000 0.991 250 G CA 0.066 45.189 45.100 0.038 0.000 0.689 250 G HN 0.719 nan 8.290 nan 0.000 0.522 251 R N -0.215 120.302 120.500 0.028 0.000 2.744 251 R HA 0.463 4.802 4.340 -0.001 0.000 0.279 251 R C -2.835 173.466 176.300 0.002 0.000 0.977 251 R CA -2.066 54.045 56.100 0.019 0.000 0.906 251 R CB 2.106 32.423 30.300 0.029 0.000 1.197 251 R HN -0.013 nan 8.270 nan 0.000 0.463 252 P HA 0.065 nan 4.420 nan 0.000 0.268 252 P C -0.694 176.570 177.300 -0.059 0.000 1.204 252 P CA -0.174 62.909 63.100 -0.029 0.000 0.768 252 P CB 0.475 32.158 31.700 -0.029 0.000 0.842 253 C N 3.548 122.804 119.300 -0.073 0.000 2.563 253 C HA 0.625 5.085 4.460 -0.001 0.000 0.314 253 C C 0.208 175.111 174.990 -0.143 0.000 1.199 253 C CA -0.379 58.570 59.018 -0.114 0.000 1.564 253 C CB 1.474 29.170 27.740 -0.074 0.000 2.173 253 C HN 0.554 nan 8.230 nan 0.000 0.485 254 K N 2.143 122.407 120.400 -0.227 0.000 2.340 254 K HA 0.853 5.172 4.320 -0.001 0.000 0.244 254 K C -1.343 175.192 176.600 -0.109 0.000 0.973 254 K CA -0.534 55.649 56.287 -0.175 0.000 0.828 254 K CB 1.757 34.134 32.500 -0.205 0.000 1.226 254 K HN 0.830 nan 8.250 nan 0.000 0.437 255 M N 3.521 123.070 119.600 -0.086 0.000 2.277 255 M HA 0.393 4.873 4.480 -0.001 0.000 0.282 255 M C -1.993 174.239 176.300 -0.115 0.000 1.074 255 M CA -0.487 54.768 55.300 -0.076 0.000 0.954 255 M CB 1.651 34.160 32.600 -0.153 0.000 1.672 255 M HN 0.717 nan 8.290 nan 0.000 0.471 256 R N 3.491 123.967 120.500 -0.041 0.000 2.574 256 R HA 0.468 4.807 4.340 -0.001 0.000 0.288 256 R C -2.005 174.356 176.300 0.101 0.000 1.004 256 R CA -0.769 55.278 56.100 -0.089 0.000 0.895 256 R CB 0.966 31.204 30.300 -0.103 0.000 1.191 256 R HN 0.654 nan 8.270 nan 0.000 0.444 257 Y N 1.501 121.852 120.300 0.086 0.000 2.465 257 Y HA 0.015 4.564 4.550 -0.001 0.000 0.331 257 Y C 0.415 176.392 175.900 0.129 0.000 1.102 257 Y CA -0.555 57.619 58.100 0.123 0.000 1.358 257 Y CB 0.731 39.263 38.460 0.120 0.000 1.213 257 Y HN 0.613 nan 8.280 nan 0.000 0.525 258 D N 1.995 122.608 120.400 0.353 0.000 2.506 258 D HA -0.056 4.583 4.640 -0.001 0.000 0.234 258 D C 1.234 177.648 176.300 0.189 0.000 1.143 258 D CA 0.243 54.388 54.000 0.241 0.000 0.871 258 D CB 0.777 41.700 40.800 0.205 0.000 1.190 258 D HN 0.431 nan 8.370 nan 0.000 0.459 259 R N 1.818 122.401 120.500 0.138 0.000 2.133 259 R HA -0.187 4.152 4.340 -0.001 0.000 0.247 259 R C 0.970 177.342 176.300 0.120 0.000 1.151 259 R CA 1.732 57.893 56.100 0.102 0.000 0.971 259 R CB -0.235 30.107 30.300 0.070 0.000 0.866 259 R HN 0.539 nan 8.270 nan 0.000 0.447 260 D N -0.462 120.019 120.400 0.136 0.000 2.097 260 D HA -0.107 4.532 4.640 -0.001 0.000 0.197 260 D C 1.326 177.682 176.300 0.092 0.000 0.984 260 D CA 1.553 55.660 54.000 0.178 0.000 0.826 260 D CB -0.186 40.735 40.800 0.201 0.000 0.973 260 D HN 0.236 nan 8.370 nan 0.000 0.460 261 D N 0.294 120.717 120.400 0.037 0.000 2.078 261 D HA -0.153 4.487 4.640 -0.001 0.000 0.193 261 D C 1.670 177.850 176.300 -0.199 0.000 0.990 261 D CA 0.830 54.773 54.000 -0.095 0.000 0.827 261 D CB -0.477 40.259 40.800 -0.108 0.000 0.975 261 D HN 0.104 nan 8.370 nan 0.000 0.451 262 D N 0.010 120.344 120.400 -0.109 0.000 2.204 262 D HA -0.206 4.433 4.640 -0.001 0.000 0.189 262 D C 2.080 178.393 176.300 0.022 0.000 1.006 262 D CA 1.216 55.228 54.000 0.020 0.000 0.855 262 D CB -0.149 40.804 40.800 0.255 0.000 0.946 262 D HN 0.186 nan 8.370 nan 0.000 0.448 263 M N -0.284 119.344 119.600 0.047 0.000 2.175 263 M HA -0.144 4.336 4.480 -0.001 0.000 0.264 263 M C 2.379 178.703 176.300 0.039 0.000 1.063 263 M CA 0.637 55.964 55.300 0.045 0.000 1.119 263 M CB 0.053 32.694 32.600 0.068 0.000 1.377 263 M HN -0.060 nan 8.290 nan 0.000 0.415 264 V N 0.535 120.463 119.914 0.024 0.000 2.307 264 V HA -0.259 3.861 4.120 -0.001 0.000 0.245 264 V C 2.107 178.263 176.094 0.104 0.000 1.045 264 V CA 1.776 64.095 62.300 0.031 0.000 1.024 264 V CB -0.441 31.353 31.823 -0.049 0.000 0.651 264 V HN 0.403 nan 8.190 nan 0.000 0.449 265 I N 0.102 120.672 120.570 0.000 0.000 2.193 265 I HA -0.078 4.091 4.170 -0.001 0.000 0.240 265 I C 1.599 177.739 176.117 0.039 0.000 1.084 265 I CA 1.187 62.499 61.300 0.020 0.000 1.365 265 I CB -0.491 37.345 38.000 -0.274 0.000 1.064 265 I HN 0.449 nan 8.210 nan 0.000 0.410 266 T N -0.262 114.311 114.554 0.031 0.000 2.828 266 T HA 0.421 4.771 4.350 -0.001 0.000 0.290 266 T C 0.445 175.199 174.700 0.091 0.000 1.019 266 T CA -0.424 61.734 62.100 0.096 0.000 1.031 266 T CB 1.182 70.171 68.868 0.202 0.000 1.001 266 T HN 0.251 nan 8.240 nan 0.000 0.531 267 G N 0.743 109.607 108.800 0.107 0.000 2.588 267 G HA2 0.573 4.532 3.960 -0.001 0.000 0.281 267 G HA3 0.573 4.532 3.960 -0.001 0.000 0.281 267 G C -0.691 174.340 174.900 0.219 0.000 1.236 267 G CA -0.852 44.312 45.100 0.106 0.000 0.969 267 G HN 0.820 nan 8.290 nan 0.000 0.504 268 K N -1.359 119.139 120.400 0.163 0.000 2.399 268 K HA 0.439 4.759 4.320 -0.001 0.000 0.260 268 K C 0.009 176.681 176.600 0.119 0.000 1.049 268 K CA -0.908 55.485 56.287 0.177 0.000 0.890 268 K CB 1.530 34.094 32.500 0.107 0.000 1.430 268 K HN 0.450 nan 8.250 nan 0.000 0.459 269 R N 1.138 121.698 120.500 0.100 0.000 2.570 269 R HA 0.024 4.363 4.340 -0.001 0.000 0.277 269 R C -0.748 175.593 176.300 0.069 0.000 1.039 269 R CA 0.022 56.150 56.100 0.047 0.000 1.065 269 R CB 0.109 30.261 30.300 -0.246 0.000 0.964 269 R HN 0.540 nan 8.270 nan 0.000 0.428 270 H N 3.084 122.206 119.070 0.086 0.000 3.082 270 H HA -0.020 4.536 4.556 -0.001 0.000 0.275 270 H C -0.263 175.219 175.328 0.258 0.000 1.032 270 H CA 0.497 56.618 56.048 0.121 0.000 1.477 270 H CB 0.141 29.960 29.762 0.095 0.000 1.520 270 H HN 0.501 nan 8.280 nan 0.000 0.521 271 D N 3.688 124.261 120.400 0.288 0.000 2.399 271 D HA 0.065 4.705 4.640 -0.001 0.000 0.241 271 D C -0.033 176.437 176.300 0.284 0.000 1.133 271 D CA 0.181 54.376 54.000 0.325 0.000 0.890 271 D CB 1.005 41.951 40.800 0.244 0.000 1.201 271 D HN 0.299 nan 8.370 nan 0.000 0.432 272 F N -0.524 119.444 119.950 0.030 0.000 2.598 272 F HA 0.414 4.940 4.527 -0.001 0.000 0.327 272 F C 0.779 176.530 175.800 -0.082 0.000 1.057 272 F CA -1.303 56.673 58.000 -0.040 0.000 0.957 272 F CB 2.446 41.367 39.000 -0.131 0.000 1.278 272 F HN 0.068 nan 8.300 nan 0.000 0.484 273 R N 2.031 122.592 120.500 0.101 0.000 2.562 273 R HA 0.719 5.059 4.340 -0.001 0.000 0.298 273 R C -1.763 174.583 176.300 0.077 0.000 0.961 273 R CA -0.515 55.597 56.100 0.020 0.000 0.881 273 R CB 1.287 31.600 30.300 0.021 0.000 1.159 273 R HN 0.694 nan 8.270 nan 0.000 0.450 274 I N 3.810 124.365 120.570 -0.024 0.000 2.418 274 I HA 0.371 4.540 4.170 -0.001 0.000 0.287 274 I C -0.221 176.038 176.117 0.238 0.000 1.008 274 I CA -0.735 60.668 61.300 0.172 0.000 1.104 274 I CB 1.943 40.017 38.000 0.123 0.000 1.264 274 I HN 0.482 nan 8.210 nan 0.000 0.438 275 R N 6.226 126.878 120.500 0.254 0.000 2.297 275 R HA 0.510 4.850 4.340 -0.001 0.000 0.308 275 R C -1.568 174.864 176.300 0.221 0.000 1.029 275 R CA -0.357 55.824 56.100 0.136 0.000 0.929 275 R CB 0.889 31.226 30.300 0.062 0.000 1.046 275 R HN 0.564 nan 8.270 nan 0.000 0.461 276 Y N 0.256 120.607 120.300 0.085 0.000 2.499 276 Y HA 0.623 5.173 4.550 -0.001 0.000 0.347 276 Y C -1.073 174.714 175.900 -0.188 0.000 0.987 276 Y CA -1.378 56.645 58.100 -0.129 0.000 1.044 276 Y CB 1.519 39.923 38.460 -0.093 0.000 1.245 276 Y HN 0.401 nan 8.280 nan 0.000 0.461 277 R N 3.533 123.955 120.500 -0.130 0.000 2.483 277 R HA 0.630 4.970 4.340 -0.001 0.000 0.303 277 R C -1.718 174.492 176.300 -0.150 0.000 0.987 277 R CA -0.584 55.443 56.100 -0.121 0.000 0.881 277 R CB 2.219 32.440 30.300 -0.132 0.000 1.177 277 R HN 0.919 nan 8.270 nan 0.000 0.451 278 I N 0.880 121.392 120.570 -0.096 0.000 2.693 278 I HA 0.744 4.913 4.170 -0.001 0.000 0.303 278 I C -0.578 175.481 176.117 -0.096 0.000 1.025 278 I CA -0.488 60.735 61.300 -0.128 0.000 1.086 278 I CB 2.178 40.097 38.000 -0.136 0.000 1.268 278 I HN 0.713 nan 8.210 nan 0.000 0.440 279 G N 5.278 114.029 108.800 -0.083 0.000 2.711 279 G HA2 0.704 4.664 3.960 -0.001 0.000 0.288 279 G HA3 0.704 4.664 3.960 -0.001 0.000 0.288 279 G C -1.572 173.307 174.900 -0.035 0.000 1.451 279 G CA -0.230 44.841 45.100 -0.049 0.000 1.186 279 G HN 0.831 nan 8.290 nan 0.000 0.560 280 A N 1.869 124.687 122.820 -0.003 0.000 2.282 280 A HA 0.886 5.206 4.320 -0.001 0.000 0.324 280 A C 0.192 177.804 177.584 0.046 0.000 1.119 280 A CA -0.376 51.662 52.037 0.002 0.000 0.880 280 A CB 1.092 20.078 19.000 -0.023 0.000 1.294 280 A HN 0.840 nan 8.150 nan 0.000 0.493 281 D N -0.813 119.612 120.400 0.041 0.000 2.506 281 D HA 0.527 5.167 4.640 -0.001 0.000 0.272 281 D C 1.155 177.520 176.300 0.109 0.000 1.214 281 D CA 0.158 54.194 54.000 0.059 0.000 1.067 281 D CB 0.389 41.209 40.800 0.034 0.000 1.117 281 D HN 0.487 nan 8.370 nan 0.000 0.578 282 A N 0.116 122.994 122.820 0.097 0.000 1.873 282 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 282 A C 2.133 179.753 177.584 0.060 0.000 1.193 282 A CA 3.224 55.327 52.037 0.110 0.000 0.629 282 A CB -1.617 17.421 19.000 0.064 0.000 0.826 282 A HN 0.726 nan 8.150 nan 0.000 0.447 283 S N -1.680 114.039 115.700 0.032 0.000 2.465 283 S HA 0.233 4.702 4.470 -0.001 0.000 0.241 283 S C 1.518 176.110 174.600 -0.014 0.000 1.000 283 S CA 1.503 59.708 58.200 0.009 0.000 0.964 283 S CB -0.607 62.599 63.200 0.010 0.000 0.763 283 S HN 2.153 nan 8.310 nan 0.000 0.512 284 G N 0.280 109.071 108.800 -0.015 0.000 2.148 284 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.203 284 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.203 284 G C -0.159 174.713 174.900 -0.047 0.000 0.993 284 G CA -0.218 44.850 45.100 -0.053 0.000 0.661 284 G HN 0.437 nan 8.290 nan 0.000 0.518 285 K N 0.729 121.119 120.400 -0.016 0.000 2.276 285 K HA 0.421 4.740 4.320 -0.001 0.000 0.283 285 K C 1.100 177.693 176.600 -0.013 0.000 1.044 285 K CA -0.500 55.784 56.287 -0.005 0.000 0.944 285 K CB 1.221 33.738 32.500 0.027 0.000 1.012 285 K HN 0.318 nan 8.250 nan 0.000 0.472 286 L N 4.320 125.524 121.223 -0.031 0.000 2.525 286 L HA -0.072 4.267 4.340 -0.001 0.000 0.278 286 L C 1.590 178.436 176.870 -0.039 0.000 1.218 286 L CA 0.139 54.947 54.840 -0.054 0.000 0.878 286 L CB 0.138 42.148 42.059 -0.081 0.000 1.127 286 L HN 0.530 nan 8.230 nan 0.000 0.492 287 L N 2.431 123.628 121.223 -0.044 0.000 2.349 287 L HA 0.376 4.715 4.340 -0.001 0.000 0.200 287 L C 0.890 177.725 176.870 -0.058 0.000 1.064 287 L CA 0.341 55.160 54.840 -0.036 0.000 0.821 287 L CB 0.195 42.242 42.059 -0.021 0.000 1.027 287 L HN 0.743 nan 8.230 nan 0.000 0.476 288 G N -0.692 108.068 108.800 -0.067 0.000 2.673 288 G HA2 0.672 4.632 3.960 -0.001 0.000 0.292 288 G HA3 0.672 4.632 3.960 -0.001 0.000 0.292 288 G C -2.068 172.775 174.900 -0.094 0.000 1.450 288 G CA 0.052 45.108 45.100 -0.072 0.000 0.837 288 G HN 0.060 nan 8.290 nan 0.000 0.505 289 A N 0.587 123.348 122.820 -0.098 0.000 2.398 289 A HA 0.744 5.063 4.320 -0.001 0.000 0.301 289 A C -1.709 175.735 177.584 -0.234 0.000 1.041 289 A CA -0.532 51.380 52.037 -0.207 0.000 0.711 289 A CB 2.209 21.148 19.000 -0.101 0.000 1.240 289 A HN 0.564 nan 8.150 nan 0.000 0.420 290 D N 1.370 121.547 120.400 -0.372 0.000 2.481 290 D HA 0.664 5.303 4.640 -0.001 0.000 0.246 290 D C -1.454 174.635 176.300 -0.351 0.000 1.109 290 D CA 0.121 53.984 54.000 -0.230 0.000 0.845 290 D CB 0.585 41.315 40.800 -0.117 0.000 1.160 290 D HN 0.247 nan 8.370 nan 0.000 0.534 291 F N 2.210 122.170 119.950 0.018 0.000 2.495 291 F HA 0.498 5.024 4.527 -0.001 0.000 0.327 291 F C 0.030 175.810 175.800 -0.033 0.000 1.103 291 F CA -1.046 56.965 58.000 0.018 0.000 0.949 291 F CB 1.919 40.880 39.000 -0.064 0.000 1.142 291 F HN -0.029 nan 8.300 nan 0.000 0.457 292 V N 3.012 123.074 119.914 0.247 0.000 2.417 292 V HA 0.308 4.427 4.120 -0.001 0.000 0.291 292 V C -0.562 175.747 176.094 0.359 0.000 1.024 292 V CA -0.693 61.737 62.300 0.216 0.000 0.861 292 V CB 1.299 33.228 31.823 0.177 0.000 0.985 292 V HN 0.726 nan 8.190 nan 0.000 0.436 293 H N 5.504 124.733 119.070 0.264 0.000 2.504 293 H HA 0.561 5.116 4.556 -0.001 0.000 0.322 293 H C -0.784 174.649 175.328 0.175 0.000 1.055 293 H CA -0.782 55.438 56.048 0.287 0.000 1.231 293 H CB 1.401 31.381 29.762 0.365 0.000 1.417 293 H HN 0.426 nan 8.280 nan 0.000 0.472 294 L N 3.103 124.437 121.223 0.184 0.000 2.305 294 L HA 0.624 4.963 4.340 -0.001 0.000 0.284 294 L C -0.261 176.441 176.870 -0.281 0.000 1.013 294 L CA -0.758 54.070 54.840 -0.019 0.000 0.819 294 L CB 1.430 43.467 42.059 -0.037 0.000 1.227 294 L HN 0.592 nan 8.230 nan 0.000 0.417 295 A N 3.844 126.417 122.820 -0.411 0.000 2.353 295 A HA 0.519 4.838 4.320 -0.001 0.000 0.299 295 A C -0.589 176.852 177.584 -0.238 0.000 1.089 295 A CA -0.683 50.944 52.037 -0.684 0.000 0.736 295 A CB 1.323 19.552 19.000 -1.285 0.000 1.195 295 A HN 0.777 nan 8.150 nan 0.000 0.447 296 R N 2.493 122.906 120.500 -0.145 0.000 2.296 296 R HA 0.289 4.628 4.340 -0.001 0.000 0.323 296 R C -0.311 175.997 176.300 0.013 0.000 1.067 296 R CA -0.132 55.932 56.100 -0.059 0.000 0.946 296 R CB 0.180 30.423 30.300 -0.094 0.000 0.991 296 R HN 0.772 nan 8.270 nan 0.000 0.448 297 C N 3.483 122.838 119.300 0.091 0.000 2.912 297 C HA 0.361 4.821 4.460 -0.001 0.000 0.274 297 C C 1.188 176.202 174.990 0.041 0.000 1.248 297 C CA 0.273 59.371 59.018 0.134 0.000 1.694 297 C CB -0.883 27.060 27.740 0.339 0.000 2.024 297 C HN 1.147 nan 8.230 nan 0.000 0.605 298 G N 1.340 110.172 108.800 0.053 0.000 2.642 298 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.231 298 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.231 298 G C 0.414 175.443 174.900 0.215 0.000 1.338 298 G CA 0.206 45.353 45.100 0.078 0.000 0.883 298 G HN 0.631 nan 8.290 nan 0.000 0.570 299 W N 0.753 122.068 121.300 0.025 0.000 2.678 299 W HA 0.407 5.067 4.660 -0.001 0.000 0.256 299 W C 0.814 177.462 176.519 0.215 0.000 1.280 299 W CA 1.456 58.867 57.345 0.111 0.000 1.345 299 W CB -1.239 28.317 29.460 0.161 0.000 1.118 299 W HN 1.451 nan 8.180 nan 0.000 0.629 300 S N -1.071 114.278 115.700 -0.584 0.000 2.627 300 S HA 0.693 5.162 4.470 -0.001 0.000 0.283 300 S C 0.749 174.994 174.600 -0.593 0.000 1.127 300 S CA -0.150 57.679 58.200 -0.617 0.000 0.863 300 S CB 1.786 64.225 63.200 -1.269 0.000 1.121 300 S HN 0.124 nan 8.310 nan 0.000 0.479 301 A N 1.380 123.745 122.820 -0.759 0.000 1.858 301 A HA 0.036 4.355 4.320 -0.001 0.000 0.216 301 A C 1.397 178.701 177.584 -0.467 0.000 1.190 301 A CA 2.064 53.544 52.037 -0.927 0.000 0.617 301 A CB -1.541 17.062 19.000 -0.661 0.000 0.827 301 A HN 1.267 nan 8.150 nan 0.000 0.443 302 D N -1.714 118.503 120.400 -0.305 0.000 3.927 302 D HA -0.241 4.398 4.640 -0.001 0.000 0.142 302 D C 0.357 176.615 176.300 -0.070 0.000 0.830 302 D CA 2.211 56.128 54.000 -0.137 0.000 1.091 302 D CB -1.300 39.448 40.800 -0.087 0.000 0.495 302 D HN 0.321 nan 8.370 nan 0.000 0.489 303 L N 0.806 122.037 121.223 0.012 0.000 3.014 303 L HA 0.245 4.584 4.340 -0.001 0.000 0.263 303 L C 2.028 178.880 176.870 -0.029 0.000 1.207 303 L CA 0.088 54.973 54.840 0.075 0.000 1.017 303 L CB 0.425 42.631 42.059 0.245 0.000 1.360 303 L HN 0.119 nan 8.230 nan 0.000 0.560 304 S N 0.535 116.186 115.700 -0.081 0.000 2.392 304 S HA -0.249 4.220 4.470 -0.001 0.000 0.232 304 S C 1.857 176.327 174.600 -0.218 0.000 1.041 304 S CA 1.691 59.764 58.200 -0.211 0.000 1.026 304 S CB -0.160 62.989 63.200 -0.086 0.000 0.845 304 S HN 0.478 nan 8.310 nan 0.000 0.465 305 L N 2.182 123.330 121.223 -0.125 0.000 1.994 305 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 305 L C -0.816 176.070 176.870 0.027 0.000 1.071 305 L CA 1.465 56.277 54.840 -0.046 0.000 0.745 305 L CB -1.032 41.018 42.059 -0.016 0.000 0.892 305 L HN 0.223 nan 8.230 nan 0.000 0.431 306 P HA -0.076 nan 4.420 nan 0.000 0.220 306 P C 1.918 179.320 177.300 0.169 0.000 1.152 306 P CA 1.066 64.328 63.100 0.269 0.000 0.812 306 P CB 0.052 32.035 31.700 0.472 0.000 0.792 307 V N 0.785 120.538 119.914 -0.267 0.000 2.252 307 V HA -0.289 3.831 4.120 -0.001 0.000 0.249 307 V C 2.874 178.827 176.094 -0.236 0.000 1.056 307 V CA 2.348 64.243 62.300 -0.675 0.000 1.022 307 V CB -1.717 29.554 31.823 -0.920 0.000 0.641 307 V HN 0.174 nan 8.190 nan 0.000 0.445 308 C N -0.105 119.091 119.300 -0.173 0.000 2.425 308 C HA -0.141 4.318 4.460 -0.001 0.000 0.277 308 C C 2.517 177.522 174.990 0.025 0.000 1.280 308 C CA 0.755 59.767 59.018 -0.009 0.000 1.744 308 C CB -1.202 26.505 27.740 -0.055 0.000 1.989 308 C HN 0.606 nan 8.230 nan 0.000 0.491 309 D N 0.214 120.636 120.400 0.037 0.000 2.172 309 D HA -0.171 4.469 4.640 -0.001 0.000 0.196 309 D C 2.303 178.681 176.300 0.130 0.000 0.999 309 D CA 1.205 55.269 54.000 0.106 0.000 0.856 309 D CB -0.431 40.553 40.800 0.307 0.000 0.934 309 D HN 0.524 nan 8.370 nan 0.000 0.453 310 R N 0.087 120.680 120.500 0.156 0.000 2.127 310 R HA 0.076 4.415 4.340 -0.001 0.000 0.217 310 R C 2.080 178.520 176.300 0.233 0.000 1.074 310 R CA 0.934 57.167 56.100 0.222 0.000 0.991 310 R CB -0.008 30.473 30.300 0.301 0.000 0.895 310 R HN 0.092 nan 8.270 nan 0.000 0.450 311 A N 1.433 124.321 122.820 0.113 0.000 1.865 311 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 311 A C 2.198 179.890 177.584 0.180 0.000 1.191 311 A CA 1.782 53.853 52.037 0.057 0.000 0.623 311 A CB -0.550 18.422 19.000 -0.047 0.000 0.826 311 A HN 0.318 nan 8.150 nan 0.000 0.444 312 M N -1.261 118.425 119.600 0.142 0.000 2.115 312 M HA -0.201 4.278 4.480 -0.001 0.000 0.258 312 M C 2.062 178.558 176.300 0.328 0.000 1.071 312 M CA 1.494 56.831 55.300 0.062 0.000 1.100 312 M CB -0.728 31.602 32.600 -0.449 0.000 1.292 312 M HN 0.319 nan 8.290 nan 0.000 0.415 313 L N -0.329 121.076 121.223 0.303 0.000 2.171 313 L HA -0.257 4.082 4.340 -0.001 0.000 0.216 313 L C 1.917 178.886 176.870 0.165 0.000 1.084 313 L CA 2.075 56.998 54.840 0.138 0.000 0.771 313 L CB -1.355 40.603 42.059 -0.168 0.000 0.890 313 L HN 0.382 nan 8.230 nan 0.000 0.437 314 H N -2.486 116.723 119.070 0.232 0.000 2.594 314 H HA 0.339 4.894 4.556 -0.001 0.000 0.279 314 H C 1.854 177.249 175.328 0.111 0.000 1.042 314 H CA 0.499 56.644 56.048 0.161 0.000 1.177 314 H CB 0.242 30.014 29.762 0.016 0.000 1.524 314 H HN 0.244 nan 8.280 nan 0.000 0.537 315 A N 0.991 123.899 122.820 0.147 0.000 2.186 315 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 315 A C 1.666 179.174 177.584 -0.128 0.000 1.159 315 A CA 1.664 53.587 52.037 -0.189 0.000 0.680 315 A CB -0.193 18.581 19.000 -0.377 0.000 0.787 315 A HN 0.572 nan 8.150 nan 0.000 0.467 316 D N -1.503 118.960 120.400 0.105 0.000 2.349 316 D HA 0.226 4.866 4.640 -0.001 0.000 0.215 316 D C 1.308 177.766 176.300 0.264 0.000 1.016 316 D CA 0.971 55.095 54.000 0.207 0.000 0.870 316 D CB -0.756 40.285 40.800 0.402 0.000 0.917 316 D HN 0.530 nan 8.370 nan 0.000 0.524 317 G N 1.165 110.095 108.800 0.216 0.000 2.660 317 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.321 317 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.321 317 G C 0.648 175.547 174.900 -0.002 0.000 1.246 317 G CA 0.989 46.181 45.100 0.152 0.000 1.000 317 G HN 0.403 nan 8.290 nan 0.000 0.550 318 S N 0.629 116.046 115.700 -0.472 0.000 2.664 318 S HA 0.521 4.990 4.470 -0.001 0.000 0.245 318 S C -0.771 173.560 174.600 -0.448 0.000 1.019 318 S CA -0.061 57.879 58.200 -0.433 0.000 0.996 318 S CB 0.208 63.123 63.200 -0.475 0.000 0.878 318 S HN 0.484 nan 8.310 nan 0.000 0.493 319 Y N 0.141 120.517 120.300 0.128 0.000 2.425 319 Y HA 0.534 5.084 4.550 -0.001 0.000 0.344 319 Y C -0.405 175.160 175.900 -0.558 0.000 0.969 319 Y CA -1.688 56.330 58.100 -0.137 0.000 1.052 319 Y CB 0.742 39.205 38.460 0.004 0.000 1.215 319 Y HN 0.170 nan 8.280 nan 0.000 0.451 320 F N 3.657 123.187 119.950 -0.702 0.000 2.504 320 F HA 0.523 5.050 4.527 -0.001 0.000 0.369 320 F C -0.813 174.910 175.800 -0.128 0.000 1.082 320 F CA -0.593 57.090 58.000 -0.530 0.000 1.216 320 F CB 0.352 39.148 39.000 -0.340 0.000 1.108 320 F HN 0.193 nan 8.300 nan 0.000 0.554 321 V N 9.208 128.656 119.914 -0.777 0.000 2.409 321 V HA 0.235 4.354 4.120 -0.001 0.000 0.290 321 V C -1.855 173.799 176.094 -0.732 0.000 1.017 321 V CA -1.257 60.721 62.300 -0.537 0.000 0.841 321 V CB 1.446 33.166 31.823 -0.171 0.000 1.003 321 V HN 0.638 nan 8.190 nan 0.000 0.426 322 P HA 0.005 nan 4.420 nan 0.000 0.218 322 P C 0.348 177.550 177.300 -0.165 0.000 1.149 322 P CA 1.140 63.997 63.100 -0.404 0.000 0.817 322 P CB 0.413 32.041 31.700 -0.120 0.000 0.785 323 A N -0.475 122.272 122.820 -0.121 0.000 2.359 323 A HA 0.716 5.035 4.320 -0.001 0.000 0.303 323 A C -1.397 176.173 177.584 -0.024 0.000 1.066 323 A CA -0.539 51.474 52.037 -0.040 0.000 0.730 323 A CB 0.668 19.654 19.000 -0.022 0.000 1.211 323 A HN 0.115 nan 8.150 nan 0.000 0.439 324 L N 2.225 123.468 121.223 0.033 0.000 2.543 324 L HA 0.708 5.047 4.340 -0.001 0.000 0.265 324 L C -0.761 176.186 176.870 0.128 0.000 0.945 324 L CA -0.402 54.479 54.840 0.068 0.000 0.869 324 L CB 1.743 43.836 42.059 0.056 0.000 1.294 324 L HN 0.895 nan 8.230 nan 0.000 0.405 325 R N 4.835 125.409 120.500 0.124 0.000 2.621 325 R HA 0.818 5.157 4.340 -0.001 0.000 0.292 325 R C -1.857 174.538 176.300 0.158 0.000 0.969 325 R CA -0.471 55.718 56.100 0.149 0.000 0.887 325 R CB 1.616 31.977 30.300 0.101 0.000 1.180 325 R HN 0.609 nan 8.270 nan 0.000 0.450 326 I N 2.027 122.679 120.570 0.136 0.000 2.509 326 I HA 0.368 4.538 4.170 -0.001 0.000 0.293 326 I C -0.582 175.506 176.117 -0.049 0.000 1.020 326 I CA -0.629 60.676 61.300 0.008 0.000 1.088 326 I CB 2.135 40.051 38.000 -0.140 0.000 1.267 326 I HN 0.606 nan 8.210 nan 0.000 0.430 327 E N 4.274 124.441 120.200 -0.055 0.000 2.141 327 E HA 0.369 4.719 4.350 -0.001 0.000 0.259 327 E C -1.249 175.305 176.600 -0.077 0.000 0.883 327 E CA -0.311 56.050 56.400 -0.065 0.000 0.744 327 E CB 1.366 31.089 29.700 0.038 0.000 1.150 327 E HN 0.590 nan 8.360 nan 0.000 0.420 328 S N 5.244 120.825 115.700 -0.197 0.000 2.520 328 S HA 0.253 4.722 4.470 -0.001 0.000 0.324 328 S C -0.891 173.611 174.600 -0.164 0.000 1.069 328 S CA -0.683 57.462 58.200 -0.092 0.000 1.121 328 S CB 0.290 63.413 63.200 -0.127 0.000 0.971 328 S HN 0.536 nan 8.310 nan 0.000 0.463 329 H N 5.593 124.661 119.070 -0.002 0.000 2.640 329 H HA 0.311 4.866 4.556 -0.001 0.000 0.297 329 H C 0.069 175.365 175.328 -0.053 0.000 1.073 329 H CA -0.701 55.333 56.048 -0.023 0.000 1.305 329 H CB 0.625 30.375 29.762 -0.020 0.000 1.404 329 H HN 0.543 nan 8.280 nan 0.000 0.459 330 R N 4.343 124.877 120.500 0.057 0.000 2.230 330 R HA 0.324 4.663 4.340 -0.001 0.000 0.337 330 R C -0.502 175.864 176.300 0.109 0.000 1.063 330 R CA -0.544 55.591 56.100 0.058 0.000 0.935 330 R CB 0.421 30.764 30.300 0.071 0.000 1.121 330 R HN 0.436 nan 8.270 nan 0.000 0.486 331 L N 2.692 123.945 121.223 0.050 0.000 2.307 331 L HA 0.513 4.852 4.340 -0.001 0.000 0.282 331 L C 0.707 177.549 176.870 -0.046 0.000 1.051 331 L CA -0.843 53.984 54.840 -0.021 0.000 0.804 331 L CB 1.419 43.451 42.059 -0.044 0.000 1.197 331 L HN 0.407 nan 8.230 nan 0.000 0.431 332 R N 1.743 122.104 120.500 -0.230 0.000 2.312 332 R HA 0.569 4.908 4.340 -0.001 0.000 0.311 332 R C -0.882 175.343 176.300 -0.124 0.000 1.004 332 R CA -0.197 55.723 56.100 -0.300 0.000 0.902 332 R CB 1.281 31.124 30.300 -0.762 0.000 1.073 332 R HN 0.824 nan 8.270 nan 0.000 0.457 333 T N 0.320 114.857 114.554 -0.028 0.000 2.900 333 T HA 0.262 4.612 4.350 -0.001 0.000 0.303 333 T C -0.453 174.281 174.700 0.056 0.000 1.142 333 T CA -1.113 60.969 62.100 -0.030 0.000 1.007 333 T CB 1.402 70.203 68.868 -0.110 0.000 1.156 333 T HN 0.622 nan 8.240 nan 0.000 0.490 334 N N 1.702 120.432 118.700 0.049 0.000 3.111 334 N HA 0.304 5.043 4.740 -0.001 0.000 0.302 334 N C 0.353 175.904 175.510 0.068 0.000 1.317 334 N CA -0.346 52.785 53.050 0.135 0.000 1.151 334 N CB 0.160 38.707 38.487 0.100 0.000 1.456 334 N HN 0.844 nan 8.380 nan 0.000 0.547 335 T N -3.626 110.930 114.554 0.005 0.000 2.807 335 T HA 0.376 4.725 4.350 -0.001 0.000 0.277 335 T C 0.110 174.768 174.700 -0.070 0.000 1.006 335 T CA -1.001 61.047 62.100 -0.088 0.000 1.006 335 T CB 0.766 69.344 68.868 -0.483 0.000 1.274 335 T HN -0.130 nan 8.240 nan 0.000 0.569 336 Q N 1.231 120.976 119.800 -0.090 0.000 2.369 336 Q HA 0.286 4.626 4.340 -0.001 0.000 0.295 336 Q C 0.200 176.137 176.000 -0.106 0.000 1.075 336 Q CA 0.375 56.017 55.803 -0.268 0.000 0.941 336 Q CB 0.389 29.117 28.738 -0.016 0.000 1.260 336 Q HN 0.705 nan 8.270 nan 0.000 0.417 337 S N 3.221 118.867 115.700 -0.090 0.000 2.701 337 S HA 0.112 4.582 4.470 -0.001 0.000 0.317 337 S C -0.242 174.296 174.600 -0.103 0.000 1.149 337 S CA -0.675 57.467 58.200 -0.097 0.000 1.052 337 S CB -0.473 62.604 63.200 -0.206 0.000 1.257 337 S HN 0.468 nan 8.310 nan 0.000 0.532 338 N N 2.817 121.405 118.700 -0.186 0.000 2.329 338 N HA 0.101 4.840 4.740 -0.001 0.000 0.237 338 N C 0.389 175.801 175.510 -0.163 0.000 1.258 338 N CA 0.525 53.368 53.050 -0.345 0.000 0.866 338 N CB 0.822 38.725 38.487 -0.972 0.000 1.102 338 N HN 0.637 nan 8.380 nan 0.000 0.440 339 T N -1.086 113.479 114.554 0.019 0.000 2.598 339 T HA 0.670 5.019 4.350 -0.001 0.000 0.289 339 T C -1.318 173.544 174.700 0.270 0.000 1.056 339 T CA -0.430 61.786 62.100 0.193 0.000 1.088 339 T CB 0.287 69.255 68.868 0.167 0.000 1.519 339 T HN 0.472 nan 8.240 nan 0.000 0.488 340 A N 0.982 123.983 122.820 0.302 0.000 2.440 340 A HA 0.643 4.962 4.320 -0.001 0.000 0.251 340 A C -0.959 176.890 177.584 0.441 0.000 1.089 340 A CA -0.040 52.228 52.037 0.386 0.000 0.779 340 A CB -0.562 18.771 19.000 0.556 0.000 1.022 340 A HN 0.662 nan 8.150 nan 0.000 0.492 341 F N 1.960 122.022 119.950 0.186 0.000 2.585 341 F HA 0.421 4.947 4.527 -0.001 0.000 0.319 341 F C 0.611 176.322 175.800 -0.149 0.000 1.165 341 F CA -0.952 57.067 58.000 0.031 0.000 0.949 341 F CB 1.326 40.170 39.000 -0.260 0.000 1.218 341 F HN 0.798 nan 8.300 nan 0.000 0.453 342 R N 4.086 124.725 120.500 0.232 0.000 4.326 342 R HA -0.062 4.278 4.340 -0.001 0.000 0.141 342 R C 0.871 176.925 176.300 -0.410 0.000 0.356 342 R CA 1.875 57.959 56.100 -0.026 0.000 0.851 342 R CB -0.742 29.595 30.300 0.062 0.000 1.039 342 R HN 1.163 nan 8.270 nan 0.000 0.246 343 G N 3.547 112.231 108.800 -0.195 0.000 2.541 343 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.201 343 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.201 343 G C 0.265 175.283 174.900 0.197 0.000 1.026 343 G CA -0.085 44.927 45.100 -0.146 0.000 0.687 343 G HN 0.849 nan 8.290 nan 0.000 0.492 344 F N 0.804 120.710 119.950 -0.074 0.000 2.983 344 F HA 0.066 4.592 4.527 -0.001 0.000 0.288 344 F C 1.784 177.577 175.800 -0.011 0.000 0.980 344 F CA 2.519 60.519 58.000 0.001 0.000 0.965 344 F CB -1.008 38.010 39.000 0.029 0.000 0.967 344 F HN 2.079 nan 8.300 nan 0.000 0.800 345 G N -0.436 108.268 108.800 -0.159 0.000 2.320 345 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.242 345 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.242 345 G C 1.678 176.497 174.900 -0.135 0.000 1.033 345 G CA 0.853 45.859 45.100 -0.157 0.000 0.620 345 G HN 1.595 nan 8.290 nan 0.000 0.517 346 G N 1.939 110.692 108.800 -0.078 0.000 2.491 346 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.218 346 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.218 346 G C 0.164 175.009 174.900 -0.091 0.000 1.180 346 G CA 2.178 47.144 45.100 -0.224 0.000 0.774 346 G HN 0.566 nan 8.290 nan 0.000 0.562 347 P HA -0.094 nan 4.420 nan 0.000 0.214 347 P C 1.840 179.203 177.300 0.104 0.000 1.163 347 P CA 1.523 64.681 63.100 0.097 0.000 0.883 347 P CB -0.115 31.579 31.700 -0.010 0.000 0.788 348 Q N -0.443 119.317 119.800 -0.066 0.000 1.998 348 Q HA -0.169 4.170 4.340 -0.001 0.000 0.209 348 Q C 2.475 178.225 176.000 -0.417 0.000 1.002 348 Q CA 2.420 58.048 55.803 -0.292 0.000 0.858 348 Q CB -1.818 26.384 28.738 -0.893 0.000 0.932 348 Q HN 0.266 nan 8.270 nan 0.000 0.416 349 G N 0.073 108.606 108.800 -0.445 0.000 2.476 349 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 349 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 349 G C 1.491 176.316 174.900 -0.124 0.000 1.164 349 G CA 1.173 46.095 45.100 -0.297 0.000 0.768 349 G HN 0.480 nan 8.290 nan 0.000 0.560 350 A N 0.092 122.909 122.820 -0.004 0.000 1.969 350 A HA 0.114 4.434 4.320 -0.001 0.000 0.218 350 A C 2.330 179.982 177.584 0.112 0.000 1.169 350 A CA 1.616 53.707 52.037 0.089 0.000 0.635 350 A CB -0.376 18.704 19.000 0.133 0.000 0.810 350 A HN 0.402 nan 8.150 nan 0.000 0.445 351 L N 0.393 121.676 121.223 0.099 0.000 2.017 351 L HA -0.051 4.289 4.340 -0.001 0.000 0.208 351 L C 2.419 179.422 176.870 0.223 0.000 1.073 351 L CA 2.287 57.210 54.840 0.139 0.000 0.745 351 L CB -1.499 40.621 42.059 0.102 0.000 0.894 351 L HN 0.332 nan 8.230 nan 0.000 0.432 352 G N -0.436 108.467 108.800 0.173 0.000 2.574 352 G HA2 -0.432 3.527 3.960 -0.001 0.000 0.220 352 G HA3 -0.432 3.527 3.960 -0.001 0.000 0.220 352 G C 1.600 176.725 174.900 0.375 0.000 1.173 352 G CA 1.490 46.773 45.100 0.305 0.000 0.772 352 G HN 0.447 nan 8.290 nan 0.000 0.585 353 M N 0.175 119.905 119.600 0.217 0.000 2.175 353 M HA 0.090 4.570 4.480 -0.001 0.000 0.264 353 M C 2.229 178.681 176.300 0.254 0.000 1.063 353 M CA 1.352 56.864 55.300 0.354 0.000 1.119 353 M CB -0.243 32.548 32.600 0.320 0.000 1.377 353 M HN 0.104 nan 8.290 nan 0.000 0.415 354 E N -0.015 120.325 120.200 0.234 0.000 2.077 354 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 354 E C 2.247 178.902 176.600 0.093 0.000 0.989 354 E CA 0.863 57.383 56.400 0.201 0.000 0.800 354 E CB -0.423 29.397 29.700 0.201 0.000 0.746 354 E HN 0.385 nan 8.360 nan 0.000 0.452 355 R N 0.473 121.009 120.500 0.061 0.000 2.066 355 R HA 0.027 4.367 4.340 -0.001 0.000 0.232 355 R C 2.128 178.300 176.300 -0.213 0.000 1.131 355 R CA 1.208 57.268 56.100 -0.066 0.000 0.955 355 R CB -0.711 29.512 30.300 -0.128 0.000 0.851 355 R HN 0.147 nan 8.270 nan 0.000 0.432 356 A N 1.144 123.739 122.820 -0.375 0.000 1.859 356 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 356 A C 2.364 179.792 177.584 -0.260 0.000 1.198 356 A CA 1.712 53.356 52.037 -0.655 0.000 0.629 356 A CB -0.844 17.927 19.000 -0.381 0.000 0.830 356 A HN 0.363 nan 8.150 nan 0.000 0.446 357 I N -0.720 119.766 120.570 -0.139 0.000 2.264 357 I HA -0.270 3.899 4.170 -0.001 0.000 0.248 357 I C 2.436 178.500 176.117 -0.088 0.000 1.111 357 I CA 2.127 63.336 61.300 -0.152 0.000 1.382 357 I CB -0.093 37.741 38.000 -0.277 0.000 1.060 357 I HN 0.548 nan 8.210 nan 0.000 0.418 358 E N 0.038 120.217 120.200 -0.035 0.000 2.077 358 E HA -0.325 4.025 4.350 -0.001 0.000 0.193 358 E C 2.247 178.879 176.600 0.054 0.000 0.989 358 E CA 1.602 58.017 56.400 0.026 0.000 0.800 358 E CB -0.251 29.455 29.700 0.010 0.000 0.746 358 E HN 0.507 nan 8.360 nan 0.000 0.452 359 H N -0.074 118.913 119.070 -0.137 0.000 2.293 359 H HA -0.120 4.436 4.556 -0.001 0.000 0.300 359 H C 2.082 177.258 175.328 -0.253 0.000 1.082 359 H CA 1.715 57.534 56.048 -0.382 0.000 1.308 359 H CB -0.533 28.963 29.762 -0.442 0.000 1.375 359 H HN 0.275 nan 8.280 nan 0.000 0.495 360 L N 0.845 122.069 121.223 0.002 0.000 2.042 360 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 360 L C 2.725 179.564 176.870 -0.052 0.000 1.076 360 L CA 2.000 56.813 54.840 -0.045 0.000 0.749 360 L CB -1.137 40.867 42.059 -0.092 0.000 0.893 360 L HN 0.338 nan 8.230 nan 0.000 0.432 361 A N -0.754 122.039 122.820 -0.045 0.000 1.865 361 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 361 A C 2.346 179.925 177.584 -0.008 0.000 1.191 361 A CA 1.658 53.671 52.037 -0.040 0.000 0.623 361 A CB -0.467 18.527 19.000 -0.011 0.000 0.826 361 A HN 0.385 nan 8.150 nan 0.000 0.444 362 R N -0.873 119.654 120.500 0.045 0.000 2.082 362 R HA -0.107 4.232 4.340 -0.001 0.000 0.228 362 R C 2.439 178.767 176.300 0.047 0.000 1.140 362 R CA 1.473 57.623 56.100 0.083 0.000 0.920 362 R CB -1.753 28.663 30.300 0.193 0.000 0.828 362 R HN 0.511 nan 8.270 nan 0.000 0.430 363 G N 1.975 110.797 108.800 0.037 0.000 2.549 363 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.222 363 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.222 363 G C 1.350 176.278 174.900 0.046 0.000 1.100 363 G CA 1.155 46.285 45.100 0.050 0.000 0.739 363 G HN 0.483 nan 8.290 nan 0.000 0.577 364 M N -1.041 118.547 119.600 -0.019 0.000 2.484 364 M HA 0.501 4.980 4.480 -0.001 0.000 0.307 364 M C 0.924 177.171 176.300 -0.088 0.000 1.149 364 M CA 0.213 55.451 55.300 -0.104 0.000 0.972 364 M CB 0.316 32.630 32.600 -0.475 0.000 1.400 364 M HN 0.176 nan 8.290 nan 0.000 0.508 365 G N 2.688 111.471 108.800 -0.029 0.000 2.352 365 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.283 365 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.283 365 G C -0.547 174.330 174.900 -0.038 0.000 0.946 365 G CA 0.663 45.753 45.100 -0.017 0.000 1.317 365 G HN 0.760 nan 8.290 nan 0.000 0.478 366 R N 0.036 120.513 120.500 -0.038 0.000 2.643 366 R HA 0.452 4.792 4.340 -0.001 0.000 0.269 366 R C -0.936 175.351 176.300 -0.022 0.000 1.037 366 R CA -0.930 55.141 56.100 -0.048 0.000 0.894 366 R CB 1.119 31.364 30.300 -0.091 0.000 1.238 366 R HN 0.152 nan 8.270 nan 0.000 0.459 367 D N 4.014 124.404 120.400 -0.015 0.000 2.434 367 D HA 0.063 4.703 4.640 -0.001 0.000 0.252 367 D C -1.614 174.697 176.300 0.018 0.000 1.185 367 D CA -1.693 52.313 54.000 0.010 0.000 0.886 367 D CB 1.507 42.315 40.800 0.014 0.000 1.148 367 D HN 0.277 nan 8.370 nan 0.000 0.483 368 P HA -0.133 nan 4.420 nan 0.000 0.216 368 P C 0.899 178.225 177.300 0.042 0.000 1.150 368 P CA 1.512 64.638 63.100 0.043 0.000 0.837 368 P CB 0.169 31.926 31.700 0.094 0.000 0.786 369 A N 0.113 122.998 122.820 0.108 0.000 1.898 369 A HA -0.220 4.099 4.320 -0.001 0.000 0.216 369 A C 2.397 180.002 177.584 0.034 0.000 1.181 369 A CA 1.601 53.711 52.037 0.122 0.000 0.620 369 A CB -1.260 17.921 19.000 0.301 0.000 0.819 369 A HN 0.125 nan 8.150 nan 0.000 0.442 370 E N -0.059 120.160 120.200 0.033 0.000 2.051 370 E HA -0.194 4.155 4.350 -0.001 0.000 0.192 370 E C 1.972 178.522 176.600 -0.083 0.000 0.991 370 E CA 1.506 57.897 56.400 -0.016 0.000 0.799 370 E CB -0.329 29.368 29.700 -0.004 0.000 0.748 370 E HN 0.424 nan 8.360 nan 0.000 0.449 371 L N 1.347 122.517 121.223 -0.087 0.000 2.046 371 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 371 L C 2.650 179.390 176.870 -0.217 0.000 1.077 371 L CA 1.649 56.407 54.840 -0.137 0.000 0.747 371 L CB -0.276 41.706 42.059 -0.128 0.000 0.896 371 L HN 0.014 nan 8.230 nan 0.000 0.432 372 R N -0.818 119.549 120.500 -0.222 0.000 2.070 372 R HA -0.125 4.214 4.340 -0.001 0.000 0.233 372 R C 2.259 178.108 176.300 -0.752 0.000 1.137 372 R CA 1.399 57.322 56.100 -0.295 0.000 0.945 372 R CB -0.759 29.530 30.300 -0.017 0.000 0.845 372 R HN 0.500 nan 8.270 nan 0.000 0.430 373 A N 1.141 123.500 122.820 -0.769 0.000 1.978 373 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 373 A C 2.061 179.366 177.584 -0.466 0.000 1.170 373 A CA 1.069 52.562 52.037 -0.907 0.000 0.636 373 A CB -0.419 18.416 19.000 -0.274 0.000 0.810 373 A HN 0.254 nan 8.150 nan 0.000 0.448 374 L N -0.194 120.861 121.223 -0.280 0.000 2.191 374 L HA -0.057 4.283 4.340 -0.001 0.000 0.212 374 L C 1.296 178.117 176.870 -0.082 0.000 1.103 374 L CA 1.821 56.583 54.840 -0.131 0.000 0.769 374 L CB -0.339 41.659 42.059 -0.102 0.000 0.908 374 L HN 0.379 nan 8.230 nan 0.000 0.438 375 N N -1.662 116.968 118.700 -0.116 0.000 2.184 375 N HA 0.113 4.853 4.740 -0.001 0.000 0.206 375 N C -0.046 175.630 175.510 0.278 0.000 1.151 375 N CA -0.117 52.966 53.050 0.054 0.000 0.878 375 N CB 0.290 38.755 38.487 -0.037 0.000 1.014 375 N HN 0.232 nan 8.380 nan 0.000 0.512 376 F N 1.024 121.106 119.950 0.220 0.000 2.589 376 F HA -0.042 4.485 4.527 -0.001 0.000 0.352 376 F C 0.878 176.714 175.800 0.061 0.000 1.168 376 F CA -0.631 57.441 58.000 0.120 0.000 1.353 376 F CB 0.296 39.342 39.000 0.076 0.000 1.116 376 F HN -0.002 nan 8.300 nan 0.000 0.608 377 Y N 1.456 121.918 120.300 0.269 0.000 2.683 377 Y HA -0.096 4.454 4.550 -0.001 0.000 0.340 377 Y C 0.822 176.763 175.900 0.069 0.000 1.245 377 Y CA -0.238 57.945 58.100 0.139 0.000 1.485 377 Y CB -0.028 38.467 38.460 0.058 0.000 1.328 377 Y HN 0.425 nan 8.280 nan 0.000 0.603 378 D N 4.475 124.987 120.400 0.186 0.000 2.449 378 D HA 0.007 4.646 4.640 -0.001 0.000 0.236 378 D C -2.124 174.209 176.300 0.055 0.000 1.149 378 D CA -0.704 53.347 54.000 0.086 0.000 0.878 378 D CB 0.321 41.136 40.800 0.025 0.000 1.198 378 D HN 0.260 nan 8.370 nan 0.000 0.446 379 P HA 0.251 nan 4.420 nan 0.000 0.274 379 P C -2.589 174.716 177.300 0.008 0.000 1.246 379 P CA -1.173 61.925 63.100 -0.002 0.000 0.795 379 P CB -0.357 31.349 31.700 0.010 0.000 1.006 380 P HA 0.406 nan 4.420 nan 0.000 0.272 380 P C -0.320 176.993 177.300 0.022 0.000 1.223 380 P CA 0.514 63.627 63.100 0.020 0.000 0.784 380 P CB 0.368 32.085 31.700 0.028 0.000 0.923 399 K N 1.533 121.933 120.400 0.000 0.000 4.918 399 K HA -0.187 4.133 4.320 -0.001 0.000 0.303 399 K C -0.783 175.809 176.600 -0.013 0.000 0.665 399 K CA 1.199 57.486 56.287 -0.001 0.000 0.792 399 K CB -2.367 30.135 32.500 0.003 0.000 2.088 399 K HN 0.607 nan 8.250 nan 0.000 0.354 400 T N 2.781 117.333 114.554 -0.003 0.000 2.908 400 T HA -0.041 4.308 4.350 -0.001 0.000 0.325 400 T C 0.800 175.492 174.700 -0.013 0.000 1.092 400 T CA -0.231 61.867 62.100 -0.004 0.000 1.125 400 T CB 0.487 69.365 68.868 0.017 0.000 1.016 400 T HN 0.476 nan 8.240 nan 0.000 0.550 401 Q N 1.019 120.801 119.800 -0.031 0.000 2.454 401 Q HA 0.387 4.727 4.340 -0.001 0.000 0.247 401 Q C 0.599 176.681 176.000 0.136 0.000 1.028 401 Q CA -0.211 55.574 55.803 -0.029 0.000 0.910 401 Q CB 0.601 29.289 28.738 -0.083 0.000 1.276 401 Q HN 0.856 nan 8.270 nan 0.000 0.489 402 T N -2.509 112.216 114.554 0.285 0.000 2.916 402 T HA 0.498 4.848 4.350 -0.001 0.000 0.292 402 T C 0.069 174.956 174.700 0.311 0.000 1.064 402 T CA -0.957 61.266 62.100 0.205 0.000 1.011 402 T CB 1.519 70.448 68.868 0.100 0.000 1.152 402 T HN 0.650 nan 8.240 nan 0.000 0.510 403 T N -0.706 113.836 114.554 -0.020 0.000 2.828 403 T HA 0.180 4.529 4.350 -0.001 0.000 0.290 403 T C 1.622 176.230 174.700 -0.153 0.000 1.019 403 T CA -0.163 61.859 62.100 -0.129 0.000 1.031 403 T CB 0.183 68.514 68.868 -0.896 0.000 1.001 403 T HN 0.907 nan 8.240 nan 0.000 0.531 404 H N 0.461 119.519 119.070 -0.020 0.000 2.489 404 H HA -0.156 4.400 4.556 -0.001 0.000 0.295 404 H C 1.392 176.774 175.328 0.090 0.000 1.082 404 H CA 1.838 57.936 56.048 0.084 0.000 1.295 404 H CB -0.987 28.901 29.762 0.211 0.000 1.380 404 H HN 0.957 nan 8.280 nan 0.000 0.548 405 Y N -1.242 118.859 120.300 -0.331 0.000 2.468 405 Y HA 0.514 5.063 4.550 -0.001 0.000 0.268 405 Y C 1.657 177.460 175.900 -0.162 0.000 1.177 405 Y CA -0.330 57.587 58.100 -0.305 0.000 1.265 405 Y CB 0.131 38.305 38.460 -0.476 0.000 1.103 405 Y HN 0.271 nan 8.280 nan 0.000 0.522 406 G N 0.437 109.061 108.800 -0.292 0.000 2.157 406 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.248 406 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.248 406 G C -0.028 174.783 174.900 -0.149 0.000 0.979 406 G CA 0.088 45.103 45.100 -0.142 0.000 0.650 406 G HN 0.545 nan 8.290 nan 0.000 0.529 407 Q N 0.883 120.487 119.800 -0.326 0.000 2.293 407 Q HA 0.382 4.721 4.340 -0.001 0.000 0.263 407 Q C 0.307 176.265 176.000 -0.070 0.000 1.002 407 Q CA -0.258 55.463 55.803 -0.137 0.000 0.910 407 Q CB 0.306 29.029 28.738 -0.024 0.000 1.185 407 Q HN 0.564 nan 8.270 nan 0.000 0.401 408 E N 2.034 122.239 120.200 0.007 0.000 2.414 408 E HA 0.034 4.383 4.350 -0.001 0.000 0.263 408 E C -0.926 175.713 176.600 0.065 0.000 1.000 408 E CA -0.053 56.366 56.400 0.032 0.000 0.914 408 E CB 0.951 30.675 29.700 0.039 0.000 0.948 408 E HN 0.343 nan 8.360 nan 0.000 0.444 409 V N 3.325 123.243 119.914 0.007 0.000 2.277 409 V HA 0.226 4.346 4.120 -0.001 0.000 0.269 409 V C 0.576 176.690 176.094 0.034 0.000 1.036 409 V CA 0.036 62.318 62.300 -0.031 0.000 0.821 409 V CB 0.819 32.369 31.823 -0.455 0.000 1.052 409 V HN 0.815 nan 8.190 nan 0.000 0.462 410 A N 3.344 126.224 122.820 0.099 0.000 2.343 410 A HA 0.217 4.536 4.320 -0.001 0.000 0.223 410 A C 1.064 178.698 177.584 0.084 0.000 1.214 410 A CA 0.381 52.465 52.037 0.078 0.000 0.900 410 A CB 0.100 19.146 19.000 0.075 0.000 0.942 410 A HN 0.768 nan 8.150 nan 0.000 0.507 411 D N -1.594 118.886 120.400 0.133 0.000 2.538 411 D HA 0.144 4.784 4.640 -0.001 0.000 0.231 411 D C -0.022 176.280 176.300 0.004 0.000 1.229 411 D CA -0.410 53.672 54.000 0.135 0.000 0.828 411 D CB -1.109 39.844 40.800 0.256 0.000 1.035 411 D HN 0.077 nan 8.370 nan 0.000 0.495 412 C N 1.809 121.024 119.300 -0.140 0.000 2.227 412 C HA 0.451 4.911 4.460 -0.001 0.000 0.333 412 C C 1.480 176.135 174.990 -0.559 0.000 1.145 412 C CA -0.506 58.177 59.018 -0.560 0.000 1.643 412 C CB -0.777 26.793 27.740 -0.283 0.000 2.185 412 C HN 0.359 nan 8.230 nan 0.000 0.497 413 V N 5.526 124.952 119.914 -0.814 0.000 3.444 413 V HA 0.181 4.301 4.120 -0.001 0.000 0.308 413 V C 1.540 177.243 176.094 -0.652 0.000 1.371 413 V CA 0.619 62.596 62.300 -0.537 0.000 1.141 413 V CB -0.879 30.694 31.823 -0.416 0.000 1.037 413 V HN 0.873 nan 8.190 nan 0.000 0.433 414 L N 1.403 122.182 121.223 -0.741 0.000 2.012 414 L HA -0.037 4.303 4.340 -0.001 0.000 0.210 414 L C 2.782 179.389 176.870 -0.438 0.000 1.073 414 L CA 2.132 56.529 54.840 -0.738 0.000 0.748 414 L CB -0.962 40.449 42.059 -1.081 0.000 0.891 414 L HN 0.530 nan 8.230 nan 0.000 0.431 415 G N -0.699 108.006 108.800 -0.158 0.000 2.491 415 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.218 415 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.218 415 G C 1.446 176.375 174.900 0.048 0.000 1.180 415 G CA 1.038 46.215 45.100 0.128 0.000 0.774 415 G HN 0.431 nan 8.290 nan 0.000 0.562 416 E N -0.236 119.952 120.200 -0.019 0.000 2.047 416 E HA -0.068 4.282 4.350 -0.001 0.000 0.191 416 E C 2.498 179.100 176.600 0.003 0.000 0.987 416 E CA 0.771 57.205 56.400 0.055 0.000 0.799 416 E CB -0.220 29.587 29.700 0.178 0.000 0.752 416 E HN 0.392 nan 8.360 nan 0.000 0.449 417 L N 0.419 121.439 121.223 -0.339 0.000 2.013 417 L HA -0.226 4.113 4.340 -0.001 0.000 0.212 417 L C 2.354 179.150 176.870 -0.123 0.000 1.073 417 L CA 1.317 55.889 54.840 -0.446 0.000 0.753 417 L CB -0.192 41.332 42.059 -0.892 0.000 0.890 417 L HN 0.067 nan 8.230 nan 0.000 0.432 418 V N -0.666 119.193 119.914 -0.093 0.000 2.307 418 V HA -0.289 3.831 4.120 -0.001 0.000 0.245 418 V C 2.519 178.650 176.094 0.062 0.000 1.045 418 V CA 2.245 64.558 62.300 0.022 0.000 1.024 418 V CB -0.785 31.145 31.823 0.178 0.000 0.651 418 V HN 0.552 nan 8.190 nan 0.000 0.449 419 T N -0.299 114.310 114.554 0.091 0.000 2.653 419 T HA -0.329 4.021 4.350 -0.001 0.000 0.268 419 T C 2.039 176.799 174.700 0.099 0.000 1.035 419 T CA 2.273 64.434 62.100 0.101 0.000 1.154 419 T CB -0.301 68.629 68.868 0.104 0.000 0.862 419 T HN 0.401 nan 8.240 nan 0.000 0.441 420 R N 0.163 120.732 120.500 0.114 0.000 2.075 420 R HA -0.005 4.334 4.340 -0.001 0.000 0.232 420 R C 2.440 178.802 176.300 0.103 0.000 1.126 420 R CA 1.047 57.227 56.100 0.133 0.000 0.963 420 R CB -0.407 30.027 30.300 0.224 0.000 0.858 420 R HN 0.314 nan 8.270 nan 0.000 0.435 421 L N 1.194 122.464 121.223 0.078 0.000 2.056 421 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 421 L C 2.068 178.954 176.870 0.027 0.000 1.078 421 L CA 1.734 56.600 54.840 0.044 0.000 0.749 421 L CB -0.405 41.657 42.059 0.006 0.000 0.901 421 L HN 0.227 nan 8.230 nan 0.000 0.433 422 Q N -0.113 119.701 119.800 0.024 0.000 2.061 422 Q HA -0.241 4.098 4.340 -0.001 0.000 0.204 422 Q C 2.131 178.212 176.000 0.135 0.000 0.984 422 Q CA 2.309 58.153 55.803 0.067 0.000 0.846 422 Q CB -0.229 28.582 28.738 0.121 0.000 0.902 422 Q HN 0.654 nan 8.270 nan 0.000 0.421 423 K N 0.008 120.474 120.400 0.110 0.000 2.103 423 K HA -0.075 4.244 4.320 -0.001 0.000 0.204 423 K C 2.230 178.879 176.600 0.082 0.000 1.052 423 K CA 1.564 57.910 56.287 0.098 0.000 0.945 423 K CB -0.482 32.069 32.500 0.084 0.000 0.722 423 K HN 0.054 nan 8.250 nan 0.000 0.443 424 S N 1.641 117.385 115.700 0.074 0.000 2.368 424 S HA -0.186 4.283 4.470 -0.001 0.000 0.226 424 S C 2.183 176.820 174.600 0.061 0.000 1.044 424 S CA 1.557 59.794 58.200 0.062 0.000 1.062 424 S CB -0.438 62.798 63.200 0.060 0.000 0.931 424 S HN 0.510 nan 8.310 nan 0.000 0.440 425 A N 0.713 123.575 122.820 0.069 0.000 2.238 425 A HA 0.279 4.598 4.320 -0.001 0.000 0.208 425 A C 0.950 178.598 177.584 0.106 0.000 1.177 425 A CA 0.559 52.641 52.037 0.073 0.000 0.804 425 A CB -0.978 18.055 19.000 0.055 0.000 0.823 425 A HN 0.845 nan 8.150 nan 0.000 0.482 426 N N -1.915 116.853 118.700 0.114 0.000 2.727 426 N HA -0.218 4.521 4.740 -0.001 0.000 0.251 426 N C 0.363 175.968 175.510 0.160 0.000 1.040 426 N CA 0.453 53.569 53.050 0.111 0.000 0.712 426 N CB -0.946 37.581 38.487 0.067 0.000 0.912 426 N HN 0.407 nan 8.380 nan 0.000 0.545 427 F N 1.226 121.188 119.950 0.019 0.000 1.997 427 F HA -0.157 4.369 4.527 -0.001 0.000 0.296 427 F C 2.553 178.360 175.800 0.013 0.000 1.160 427 F CA 2.333 60.344 58.000 0.018 0.000 1.176 427 F CB -1.084 37.933 39.000 0.030 0.000 0.964 427 F HN 0.198 nan 8.300 nan 0.000 0.484 428 T N -0.045 114.443 114.554 -0.111 0.000 2.592 428 T HA -0.295 4.054 4.350 -0.001 0.000 0.267 428 T C 1.879 176.495 174.700 -0.140 0.000 1.060 428 T CA 2.743 64.723 62.100 -0.201 0.000 1.167 428 T CB -0.990 67.838 68.868 -0.067 0.000 0.863 428 T HN 0.366 nan 8.240 nan 0.000 0.431 429 T N 1.563 116.086 114.554 -0.052 0.000 2.720 429 T HA -0.098 4.252 4.350 -0.001 0.000 0.268 429 T C 2.124 176.797 174.700 -0.046 0.000 1.037 429 T CA 1.079 63.159 62.100 -0.034 0.000 1.144 429 T CB -0.203 68.664 68.868 -0.001 0.000 0.864 429 T HN 0.340 nan 8.240 nan 0.000 0.444 430 R N 0.294 120.770 120.500 -0.040 0.000 2.115 430 R HA 0.046 4.386 4.340 -0.001 0.000 0.230 430 R C 2.703 178.951 176.300 -0.088 0.000 1.111 430 R CA 0.973 57.049 56.100 -0.040 0.000 0.976 430 R CB -0.172 30.134 30.300 0.011 0.000 0.870 430 R HN 0.261 nan 8.270 nan 0.000 0.445 431 R N 0.531 120.923 120.500 -0.180 0.000 2.070 431 R HA -0.111 4.228 4.340 -0.001 0.000 0.233 431 R C 2.251 178.477 176.300 -0.123 0.000 1.137 431 R CA 1.696 57.667 56.100 -0.214 0.000 0.945 431 R CB -0.406 29.649 30.300 -0.408 0.000 0.845 431 R HN 0.203 nan 8.270 nan 0.000 0.430 432 A N 0.883 123.638 122.820 -0.109 0.000 1.903 432 A HA -0.292 4.028 4.320 -0.001 0.000 0.219 432 A C 1.973 179.544 177.584 -0.020 0.000 1.191 432 A CA 2.136 54.138 52.037 -0.058 0.000 0.638 432 A CB -0.695 18.276 19.000 -0.048 0.000 0.823 432 A HN 0.536 nan 8.150 nan 0.000 0.451 433 E N -0.714 119.477 120.200 -0.014 0.000 2.110 433 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 433 E C 1.885 178.524 176.600 0.063 0.000 0.988 433 E CA 1.217 57.633 56.400 0.026 0.000 0.804 433 E CB -0.287 29.421 29.700 0.013 0.000 0.745 433 E HN 0.731 nan 8.360 nan 0.000 0.458 434 I N 1.128 121.704 120.570 0.010 0.000 2.252 434 I HA -0.267 3.902 4.170 -0.001 0.000 0.245 434 I C 2.502 178.676 176.117 0.094 0.000 1.102 434 I CA 0.869 62.183 61.300 0.022 0.000 1.385 434 I CB -0.299 37.668 38.000 -0.055 0.000 1.064 434 I HN 0.079 nan 8.210 nan 0.000 0.414 435 A N 0.967 123.811 122.820 0.039 0.000 1.849 435 A HA -0.270 4.050 4.320 -0.001 0.000 0.217 435 A C 2.531 180.155 177.584 0.067 0.000 1.202 435 A CA 2.380 54.438 52.037 0.036 0.000 0.629 435 A CB -1.245 17.754 19.000 -0.001 0.000 0.834 435 A HN 0.420 nan 8.150 nan 0.000 0.447 436 A N -1.582 121.279 122.820 0.068 0.000 1.849 436 A HA -0.270 4.049 4.320 -0.001 0.000 0.216 436 A C 1.972 179.622 177.584 0.109 0.000 1.225 436 A CA 2.006 54.084 52.037 0.068 0.000 0.653 436 A CB -1.591 17.449 19.000 0.067 0.000 0.844 436 A HN 0.964 nan 8.150 nan 0.000 0.453 437 W N 1.007 122.289 121.300 -0.030 0.000 2.257 437 W HA -0.347 4.313 4.660 -0.001 0.000 0.325 437 W C 2.051 178.551 176.519 -0.032 0.000 1.296 437 W CA 2.682 60.010 57.345 -0.029 0.000 1.297 437 W CB -0.308 29.136 29.460 -0.027 0.000 1.131 437 W HN 0.470 nan 8.180 nan 0.000 0.492 438 N N 0.010 118.915 118.700 0.341 0.000 2.039 438 N HA -0.161 4.578 4.740 -0.001 0.000 0.193 438 N C 1.482 176.984 175.510 -0.013 0.000 1.044 438 N CA 2.065 55.234 53.050 0.199 0.000 0.847 438 N CB -1.277 37.314 38.487 0.173 0.000 1.030 438 N HN 0.139 nan 8.380 nan 0.000 0.422 439 S N -0.639 115.053 115.700 -0.013 0.000 3.361 439 S HA 0.130 4.600 4.470 -0.001 0.000 0.246 439 S C 0.432 174.970 174.600 -0.102 0.000 1.237 439 S CA 0.164 58.332 58.200 -0.052 0.000 1.240 439 S CB -0.373 62.808 63.200 -0.031 0.000 1.154 439 S HN 0.188 nan 8.310 nan 0.000 0.461 440 T N 0.020 114.463 114.554 -0.185 0.000 3.123 440 T HA 0.215 4.564 4.350 -0.001 0.000 0.266 440 T C -0.299 174.220 174.700 -0.301 0.000 0.873 440 T CA -0.357 61.597 62.100 -0.243 0.000 0.854 440 T CB 0.035 68.714 68.868 -0.315 0.000 1.254 440 T HN 0.462 nan 8.240 nan 0.000 0.570 441 N N 1.476 119.970 118.700 -0.344 0.000 2.370 441 N HA 0.545 5.284 4.740 -0.001 0.000 0.303 441 N C 0.741 176.154 175.510 -0.163 0.000 1.103 441 N CA -0.774 52.080 53.050 -0.325 0.000 0.848 441 N CB 1.572 39.744 38.487 -0.525 0.000 1.235 441 N HN 0.207 nan 8.380 nan 0.000 0.496 442 R N -0.527 119.901 120.500 -0.120 0.000 2.517 442 R HA 0.267 4.606 4.340 -0.001 0.000 0.265 442 R C -0.040 176.232 176.300 -0.047 0.000 0.921 442 R CA 0.140 56.197 56.100 -0.071 0.000 1.054 442 R CB 0.148 30.410 30.300 -0.064 0.000 1.340 442 R HN 0.389 nan 8.270 nan 0.000 0.551 443 T N 1.032 115.558 114.554 -0.047 0.000 3.004 443 T HA 0.326 4.676 4.350 -0.001 0.000 0.243 443 T C 0.522 175.227 174.700 0.008 0.000 1.020 443 T CA 0.324 62.412 62.100 -0.021 0.000 1.145 443 T CB 0.152 69.007 68.868 -0.020 0.000 0.876 443 T HN -0.005 nan 8.240 nan 0.000 0.449 444 L N 0.989 122.232 121.223 0.033 0.000 2.344 444 L HA 0.791 5.131 4.340 -0.001 0.000 0.272 444 L C -0.320 176.668 176.870 0.196 0.000 1.035 444 L CA -1.102 53.818 54.840 0.133 0.000 0.807 444 L CB 1.253 43.470 42.059 0.263 0.000 1.237 444 L HN 0.082 nan 8.230 nan 0.000 0.442 445 A N 1.950 124.891 122.820 0.202 0.000 2.449 445 A HA 0.755 5.074 4.320 -0.001 0.000 0.302 445 A C -0.950 176.701 177.584 0.112 0.000 1.048 445 A CA -0.775 51.394 52.037 0.219 0.000 0.708 445 A CB 1.582 20.625 19.000 0.072 0.000 1.274 445 A HN 0.691 nan 8.150 nan 0.000 0.410 446 R N 0.484 121.017 120.500 0.055 0.000 2.540 446 R HA 0.678 5.018 4.340 -0.001 0.000 0.287 446 R C -0.017 176.224 176.300 -0.097 0.000 0.980 446 R CA -0.374 55.633 56.100 -0.155 0.000 0.966 446 R CB 2.177 32.222 30.300 -0.425 0.000 1.106 446 R HN 0.885 nan 8.270 nan 0.000 0.480 447 G N 1.336 110.068 108.800 -0.114 0.000 2.620 447 G HA2 0.658 4.617 3.960 -0.001 0.000 0.301 447 G HA3 0.658 4.617 3.960 -0.001 0.000 0.301 447 G C -1.427 173.438 174.900 -0.059 0.000 1.347 447 G CA -0.509 44.538 45.100 -0.089 0.000 0.971 447 G HN 0.476 nan 8.290 nan 0.000 0.488 448 I N 0.597 121.160 120.570 -0.011 0.000 2.619 448 I HA 0.734 4.904 4.170 -0.001 0.000 0.292 448 I C -0.512 175.690 176.117 0.142 0.000 1.100 448 I CA -0.818 60.520 61.300 0.065 0.000 1.043 448 I CB 2.073 40.130 38.000 0.094 0.000 1.239 448 I HN 0.782 nan 8.210 nan 0.000 0.420 449 A N 7.176 130.090 122.820 0.157 0.000 2.549 449 A HA 0.736 5.055 4.320 -0.001 0.000 0.297 449 A C -2.120 175.523 177.584 0.099 0.000 1.061 449 A CA -0.528 51.612 52.037 0.172 0.000 0.690 449 A CB 1.884 20.961 19.000 0.128 0.000 1.287 449 A HN 0.720 nan 8.150 nan 0.000 0.402 450 L N 2.056 123.311 121.223 0.054 0.000 2.333 450 L HA 0.798 5.138 4.340 -0.001 0.000 0.280 450 L C -0.224 176.686 176.870 0.068 0.000 1.004 450 L CA -0.145 54.659 54.840 -0.060 0.000 0.820 450 L CB 1.845 43.688 42.059 -0.359 0.000 1.247 450 L HN 0.894 nan 8.230 nan 0.000 0.416 451 S N 4.868 120.626 115.700 0.096 0.000 2.526 451 S HA 0.802 5.271 4.470 -0.001 0.000 0.293 451 S C -2.962 171.730 174.600 0.154 0.000 1.092 451 S CA -1.340 56.959 58.200 0.165 0.000 0.980 451 S CB 1.949 65.252 63.200 0.172 0.000 1.048 451 S HN 0.485 nan 8.310 nan 0.000 0.483 452 P HA 0.664 nan 4.420 nan 0.000 0.285 452 P C -1.225 176.122 177.300 0.079 0.000 1.285 452 P CA -0.840 62.317 63.100 0.096 0.000 0.854 452 P CB 1.365 33.105 31.700 0.066 0.000 1.180 453 V N 0.702 120.647 119.914 0.051 0.000 2.789 453 V HA 0.568 4.687 4.120 -0.001 0.000 0.311 453 V C -0.188 175.920 176.094 0.023 0.000 1.073 453 V CA -0.502 61.846 62.300 0.081 0.000 0.921 453 V CB 1.980 33.889 31.823 0.144 0.000 1.009 453 V HN 0.634 nan 8.190 nan 0.000 0.426 454 K N 3.881 124.281 120.400 -0.001 0.000 2.731 454 K HA 0.510 4.829 4.320 -0.001 0.000 0.257 454 K C -2.330 174.293 176.600 0.038 0.000 1.032 454 K CA -0.385 55.777 56.287 -0.209 0.000 0.983 454 K CB 1.353 33.745 32.500 -0.181 0.000 1.248 454 K HN 0.543 nan 8.250 nan 0.000 0.484 455 F N 2.357 122.229 119.950 -0.130 0.000 2.529 455 F HA 0.606 5.132 4.527 -0.001 0.000 0.320 455 F C 0.069 175.809 175.800 -0.101 0.000 1.118 455 F CA -0.372 57.628 58.000 0.001 0.000 0.915 455 F CB 1.937 40.860 39.000 -0.128 0.000 1.161 455 F HN 0.574 nan 8.300 nan 0.000 0.445 456 G N 6.030 114.448 108.800 -0.637 0.000 2.420 456 G HA2 0.513 4.473 3.960 -0.001 0.000 0.284 456 G HA3 0.513 4.473 3.960 -0.001 0.000 0.284 456 G C -1.051 172.943 174.900 -1.511 0.000 1.177 456 G CA -0.571 43.550 45.100 -1.632 0.000 0.841 456 G HN 0.500 nan 8.290 nan 0.000 0.527 457 I N 0.846 120.769 120.570 -1.078 0.000 2.378 457 I HA 0.608 4.778 4.170 -0.001 0.000 0.291 457 I C 0.240 176.190 176.117 -0.279 0.000 0.992 457 I CA -0.358 60.554 61.300 -0.647 0.000 1.154 457 I CB 0.393 37.853 38.000 -0.900 0.000 1.315 457 I HN 0.532 nan 8.210 nan 0.000 0.448 458 S N 4.087 119.692 115.700 -0.158 0.000 2.769 458 S HA 0.063 4.532 4.470 -0.001 0.000 0.269 458 S C -0.821 173.754 174.600 -0.042 0.000 0.604 458 S CA -0.920 57.264 58.200 -0.026 0.000 1.254 458 S CB -0.151 63.080 63.200 0.051 0.000 1.487 458 S HN 0.347 nan 8.310 nan 0.000 0.535 459 F N 2.532 122.448 119.950 -0.056 0.000 2.541 459 F HA 0.186 4.712 4.527 -0.001 0.000 0.378 459 F C 2.251 178.022 175.800 -0.048 0.000 1.068 459 F CA 0.694 58.644 58.000 -0.083 0.000 1.199 459 F CB 0.711 39.639 39.000 -0.119 0.000 1.091 459 F HN 0.794 nan 8.300 nan 0.000 0.555 460 T N 0.685 115.309 114.554 0.116 0.000 3.007 460 T HA -0.142 4.207 4.350 -0.001 0.000 0.270 460 T C 0.836 175.761 174.700 0.375 0.000 1.107 460 T CA 0.349 62.501 62.100 0.087 0.000 1.118 460 T CB -0.233 68.641 68.868 0.009 0.000 0.889 460 T HN 0.305 nan 8.240 nan 0.000 0.506 461 L N 3.106 124.486 121.223 0.260 0.000 2.399 461 L HA 0.368 4.707 4.340 -0.001 0.000 0.257 461 L C 1.326 178.189 176.870 -0.011 0.000 1.236 461 L CA 0.033 54.955 54.840 0.136 0.000 1.144 461 L CB -0.736 41.347 42.059 0.040 0.000 1.379 461 L HN 0.159 nan 8.230 nan 0.000 0.414 462 T N 0.835 115.460 114.554 0.117 0.000 2.668 462 T HA -0.335 4.015 4.350 -0.001 0.000 0.265 462 T C 1.594 176.300 174.700 0.011 0.000 1.041 462 T CA 2.403 64.558 62.100 0.092 0.000 1.160 462 T CB -0.650 68.309 68.868 0.152 0.000 0.857 462 T HN 0.793 nan 8.240 nan 0.000 0.455 463 H N 1.165 120.250 119.070 0.025 0.000 2.567 463 H HA 0.105 4.660 4.556 -0.001 0.000 0.276 463 H C 1.748 177.034 175.328 -0.070 0.000 1.016 463 H CA 0.548 56.592 56.048 -0.008 0.000 1.186 463 H CB -0.576 29.187 29.762 0.001 0.000 1.351 463 H HN 0.376 nan 8.280 nan 0.000 0.605 464 L N 0.650 121.567 121.223 -0.509 0.000 2.509 464 L HA 0.010 4.350 4.340 -0.001 0.000 0.222 464 L C 0.481 177.064 176.870 -0.480 0.000 1.123 464 L CA 0.019 54.469 54.840 -0.650 0.000 0.856 464 L CB -0.168 41.178 42.059 -1.189 0.000 0.985 464 L HN 0.139 nan 8.230 nan 0.000 0.456 465 N N 2.689 121.294 118.700 -0.158 0.000 3.254 465 N HA 0.058 4.797 4.740 -0.001 0.000 0.308 465 N C -0.356 175.116 175.510 -0.062 0.000 1.281 465 N CA 0.186 53.240 53.050 0.006 0.000 1.212 465 N CB 0.178 38.716 38.487 0.086 0.000 1.478 465 N HN 0.542 nan 8.380 nan 0.000 0.548 466 Q N -1.014 118.721 119.800 -0.107 0.000 2.456 466 Q HA 0.865 5.204 4.340 -0.001 0.000 0.283 466 Q C -1.638 174.257 176.000 -0.176 0.000 1.084 466 Q CA -1.332 54.339 55.803 -0.220 0.000 0.801 466 Q CB 2.340 31.014 28.738 -0.105 0.000 1.434 466 Q HN 0.068 nan 8.270 nan 0.000 0.419 467 A N 0.382 123.007 122.820 -0.325 0.000 2.589 467 A HA 0.884 5.204 4.320 -0.001 0.000 0.296 467 A C -1.017 176.503 177.584 -0.107 0.000 1.062 467 A CA -0.136 51.834 52.037 -0.112 0.000 0.686 467 A CB 1.924 20.916 19.000 -0.014 0.000 1.282 467 A HN 0.944 nan 8.150 nan 0.000 0.404 468 G N -0.508 108.345 108.800 0.087 0.000 2.563 468 G HA2 0.904 4.863 3.960 -0.001 0.000 0.302 468 G HA3 0.904 4.863 3.960 -0.001 0.000 0.302 468 G C -0.610 174.381 174.900 0.152 0.000 1.301 468 G CA 0.049 45.261 45.100 0.187 0.000 0.965 468 G HN 1.951 nan 8.290 nan 0.000 0.480 469 A N -0.059 122.847 122.820 0.145 0.000 2.556 469 A HA 0.845 5.164 4.320 -0.001 0.000 0.294 469 A C -1.830 175.810 177.584 0.094 0.000 1.091 469 A CA -0.653 51.459 52.037 0.126 0.000 0.704 469 A CB 2.160 21.221 19.000 0.101 0.000 1.300 469 A HN 1.582 nan 8.150 nan 0.000 0.406 470 L N 1.340 122.606 121.223 0.073 0.000 2.439 470 L HA 0.734 5.074 4.340 -0.001 0.000 0.270 470 L C -1.460 175.422 176.870 0.019 0.000 0.972 470 L CA -0.284 54.580 54.840 0.041 0.000 0.836 470 L CB 2.030 44.109 42.059 0.033 0.000 1.255 470 L HN 0.563 nan 8.230 nan 0.000 0.404 471 V N 3.786 123.699 119.914 -0.002 0.000 2.680 471 V HA 0.679 4.798 4.120 -0.001 0.000 0.309 471 V C -0.843 175.205 176.094 -0.076 0.000 1.052 471 V CA -0.666 61.618 62.300 -0.027 0.000 0.908 471 V CB 1.808 33.622 31.823 -0.016 0.000 1.001 471 V HN 0.715 nan 8.190 nan 0.000 0.431 472 Q N 3.824 123.540 119.800 -0.140 0.000 2.321 472 Q HA 0.614 4.953 4.340 -0.001 0.000 0.270 472 Q C -1.131 174.679 176.000 -0.318 0.000 1.032 472 Q CA -0.431 55.195 55.803 -0.296 0.000 0.784 472 Q CB 2.950 31.356 28.738 -0.552 0.000 1.264 472 Q HN 0.744 nan 8.270 nan 0.000 0.448 473 I N 2.588 123.015 120.570 -0.239 0.000 2.304 473 I HA 0.286 4.455 4.170 -0.001 0.000 0.291 473 I C -0.283 175.694 176.117 -0.233 0.000 1.018 473 I CA -0.772 60.449 61.300 -0.133 0.000 1.260 473 I CB 0.217 38.233 38.000 0.027 0.000 1.390 473 I HN 0.446 nan 8.210 nan 0.000 0.475 474 Y N 2.939 123.249 120.300 0.017 0.000 2.299 474 Y HA 0.042 4.591 4.550 -0.001 0.000 0.335 474 Y C 2.112 177.975 175.900 -0.062 0.000 1.287 474 Y CA -0.229 57.851 58.100 -0.033 0.000 1.424 474 Y CB 0.858 39.300 38.460 -0.029 0.000 1.326 474 Y HN 0.658 nan 8.280 nan 0.000 0.567 475 T N -3.170 111.408 114.554 0.040 0.000 3.098 475 T HA -0.163 4.186 4.350 -0.001 0.000 0.266 475 T C 0.870 175.550 174.700 -0.034 0.000 1.145 475 T CA 1.213 63.252 62.100 -0.103 0.000 1.092 475 T CB -0.374 68.289 68.868 -0.341 0.000 0.908 475 T HN 0.758 nan 8.240 nan 0.000 0.526 476 D N 0.377 120.797 120.400 0.034 0.000 2.340 476 D HA 0.201 4.840 4.640 -0.001 0.000 0.220 476 D C 1.713 178.073 176.300 0.101 0.000 1.039 476 D CA 0.616 54.645 54.000 0.047 0.000 0.866 476 D CB -0.662 40.159 40.800 0.034 0.000 0.913 476 D HN 0.570 nan 8.370 nan 0.000 0.523 477 G N 0.360 109.240 108.800 0.134 0.000 2.195 477 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.246 477 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.246 477 G C 0.438 175.533 174.900 0.325 0.000 0.984 477 G CA 0.449 45.705 45.100 0.260 0.000 0.633 477 G HN 0.823 nan 8.290 nan 0.000 0.525 478 S N -0.667 115.168 115.700 0.226 0.000 2.593 478 S HA 0.692 5.161 4.470 -0.001 0.000 0.269 478 S C -0.037 174.704 174.600 0.235 0.000 1.334 478 S CA 0.004 58.322 58.200 0.197 0.000 1.015 478 S CB 2.503 65.794 63.200 0.152 0.000 0.912 478 S HN 1.155 nan 8.310 nan 0.000 0.541 479 V N 1.189 121.202 119.914 0.165 0.000 2.638 479 V HA 0.723 4.843 4.120 -0.001 0.000 0.306 479 V C 0.053 176.209 176.094 0.102 0.000 1.052 479 V CA -0.751 61.610 62.300 0.102 0.000 0.885 479 V CB 1.408 33.260 31.823 0.048 0.000 0.999 479 V HN 1.207 nan 8.190 nan 0.000 0.424 480 A N 5.028 127.898 122.820 0.082 0.000 2.260 480 A HA 0.832 5.151 4.320 -0.001 0.000 0.314 480 A C -0.923 176.673 177.584 0.020 0.000 1.257 480 A CA -0.351 51.743 52.037 0.094 0.000 0.871 480 A CB 0.777 19.897 19.000 0.200 0.000 1.166 480 A HN 0.923 nan 8.150 nan 0.000 0.522 481 L N 3.219 124.452 121.223 0.018 0.000 2.322 481 L HA 0.640 4.979 4.340 -0.001 0.000 0.281 481 L C -0.671 176.218 176.870 0.032 0.000 1.014 481 L CA -0.281 54.572 54.840 0.022 0.000 0.815 481 L CB 1.515 43.587 42.059 0.021 0.000 1.247 481 L HN 0.722 nan 8.230 nan 0.000 0.421 482 N N 2.558 121.292 118.700 0.058 0.000 2.260 482 N HA 0.491 5.231 4.740 -0.001 0.000 0.293 482 N C -1.610 173.978 175.510 0.130 0.000 1.058 482 N CA -0.313 52.762 53.050 0.043 0.000 0.824 482 N CB 1.735 40.224 38.487 0.003 0.000 1.551 482 N HN 0.994 nan 8.380 nan 0.000 0.475 483 H N -1.180 117.905 119.070 0.025 0.000 2.977 483 H HA 0.502 5.057 4.556 -0.001 0.000 0.350 483 H C 0.746 176.110 175.328 0.058 0.000 1.238 483 H CA -0.867 55.209 56.048 0.047 0.000 1.124 483 H CB 0.767 30.560 29.762 0.051 0.000 1.866 483 H HN 0.414 nan 8.280 nan 0.000 0.550 484 G N -0.215 108.654 108.800 0.114 0.000 2.650 484 G HA2 0.165 4.125 3.960 -0.001 0.000 0.214 484 G HA3 0.165 4.125 3.960 -0.001 0.000 0.214 484 G C 0.691 175.610 174.900 0.032 0.000 1.136 484 G CA 0.129 45.258 45.100 0.048 0.000 0.789 484 G HN 0.865 nan 8.290 nan 0.000 0.536 485 G N 0.044 108.938 108.800 0.156 0.000 2.503 485 G HA2 0.443 4.402 3.960 -0.001 0.000 0.257 485 G HA3 0.443 4.402 3.960 -0.001 0.000 0.257 485 G C 0.047 174.940 174.900 -0.012 0.000 1.214 485 G CA 0.442 45.633 45.100 0.152 0.000 0.839 485 G HN 0.404 nan 8.290 nan 0.000 0.559 486 T N -1.414 113.123 114.554 -0.029 0.000 2.856 486 T HA 0.564 4.913 4.350 -0.001 0.000 0.283 486 T C -0.536 174.077 174.700 -0.143 0.000 1.008 486 T CA -0.846 61.211 62.100 -0.073 0.000 0.997 486 T CB 2.294 71.132 68.868 -0.051 0.000 0.992 486 T HN 0.477 nan 8.240 nan 0.000 0.454 487 E N 2.977 123.057 120.200 -0.201 0.000 2.146 487 E HA 0.457 4.806 4.350 -0.001 0.000 0.282 487 E C 0.434 176.991 176.600 -0.071 0.000 0.989 487 E CA -0.712 55.546 56.400 -0.236 0.000 0.799 487 E CB 0.871 30.342 29.700 -0.382 0.000 1.088 487 E HN 0.799 nan 8.360 nan 0.000 0.397 488 M N 2.427 121.982 119.600 -0.074 0.000 2.414 488 M HA 0.506 4.985 4.480 -0.001 0.000 0.357 488 M C 0.751 177.007 176.300 -0.074 0.000 1.059 488 M CA 0.203 55.450 55.300 -0.089 0.000 0.959 488 M CB 0.978 33.465 32.600 -0.188 0.000 1.522 488 M HN 0.595 nan 8.290 nan 0.000 0.551 489 G N 1.552 110.377 108.800 0.042 0.000 2.545 489 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.195 489 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.195 489 G C 0.927 175.917 174.900 0.149 0.000 1.009 489 G CA 0.264 45.431 45.100 0.113 0.000 0.703 489 G HN 0.522 nan 8.290 nan 0.000 0.479 490 Q N 1.789 121.613 119.800 0.041 0.000 2.439 490 Q HA 0.240 4.579 4.340 -0.001 0.000 0.211 490 Q C 1.689 177.715 176.000 0.044 0.000 0.978 490 Q CA 1.932 57.751 55.803 0.027 0.000 0.897 490 Q CB -0.548 28.171 28.738 -0.032 0.000 0.956 490 Q HN 2.033 nan 8.270 nan 0.000 0.483 491 G N 1.107 109.933 108.800 0.043 0.000 2.130 491 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.216 491 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.216 491 G C 0.310 175.135 174.900 -0.125 0.000 0.999 491 G CA 0.301 45.364 45.100 -0.063 0.000 0.686 491 G HN 0.374 nan 8.290 nan 0.000 0.515 492 L N 0.395 121.534 121.223 -0.141 0.000 1.970 492 L HA 0.008 4.348 4.340 -0.001 0.000 0.212 492 L C 2.645 179.469 176.870 -0.076 0.000 1.071 492 L CA 3.050 57.814 54.840 -0.126 0.000 0.751 492 L CB -0.546 41.426 42.059 -0.145 0.000 0.889 492 L HN 0.386 nan 8.230 nan 0.000 0.432 493 H N 0.021 119.076 119.070 -0.025 0.000 2.321 493 H HA -0.161 4.395 4.556 -0.001 0.000 0.295 493 H C 2.191 177.461 175.328 -0.097 0.000 1.102 493 H CA 1.592 57.633 56.048 -0.011 0.000 1.266 493 H CB -1.019 28.737 29.762 -0.010 0.000 1.363 493 H HN 0.545 nan 8.280 nan 0.000 0.492 494 A N 1.458 124.250 122.820 -0.046 0.000 1.908 494 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 494 A C 2.335 179.883 177.584 -0.061 0.000 1.181 494 A CA 1.905 53.895 52.037 -0.078 0.000 0.627 494 A CB -0.333 18.591 19.000 -0.126 0.000 0.818 494 A HN 0.425 nan 8.150 nan 0.000 0.445 495 K N -1.198 119.163 120.400 -0.065 0.000 2.148 495 K HA -0.058 4.261 4.320 -0.001 0.000 0.204 495 K C 1.897 178.456 176.600 -0.068 0.000 1.050 495 K CA 1.276 57.526 56.287 -0.062 0.000 0.942 495 K CB -0.242 32.224 32.500 -0.056 0.000 0.724 495 K HN 0.328 nan 8.250 nan 0.000 0.446 496 M N 0.584 120.132 119.600 -0.088 0.000 2.175 496 M HA -0.090 4.390 4.480 -0.001 0.000 0.264 496 M C 2.280 178.540 176.300 -0.067 0.000 1.063 496 M CA 1.185 56.408 55.300 -0.128 0.000 1.119 496 M CB -0.700 31.734 32.600 -0.276 0.000 1.377 496 M HN -0.095 nan 8.290 nan 0.000 0.415 497 V N 0.258 120.145 119.914 -0.044 0.000 2.295 497 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 497 V C 2.348 178.409 176.094 -0.054 0.000 1.049 497 V CA 1.658 63.933 62.300 -0.042 0.000 1.024 497 V CB -0.811 30.989 31.823 -0.039 0.000 0.648 497 V HN 0.500 nan 8.190 nan 0.000 0.447 498 Q N -0.725 119.037 119.800 -0.064 0.000 2.135 498 Q HA -0.170 4.169 4.340 -0.001 0.000 0.204 498 Q C 2.305 178.250 176.000 -0.092 0.000 0.981 498 Q CA 1.728 57.478 55.803 -0.088 0.000 0.856 498 Q CB -0.280 28.396 28.738 -0.103 0.000 0.902 498 Q HN 0.540 nan 8.270 nan 0.000 0.425 499 V N 0.584 120.476 119.914 -0.037 0.000 2.270 499 V HA -0.260 3.860 4.120 -0.001 0.000 0.245 499 V C 2.229 178.356 176.094 0.056 0.000 1.043 499 V CA 1.793 64.136 62.300 0.073 0.000 1.014 499 V CB -0.937 30.962 31.823 0.126 0.000 0.645 499 V HN 0.420 nan 8.190 nan 0.000 0.447 500 A N 0.015 122.836 122.820 0.001 0.000 1.908 500 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 500 A C 2.385 179.943 177.584 -0.044 0.000 1.181 500 A CA 2.369 54.396 52.037 -0.017 0.000 0.627 500 A CB -0.849 18.133 19.000 -0.029 0.000 0.818 500 A HN 0.600 nan 8.150 nan 0.000 0.445 501 A N -0.494 122.288 122.820 -0.064 0.000 1.969 501 A HA 0.226 4.546 4.320 -0.001 0.000 0.218 501 A C 2.437 179.971 177.584 -0.083 0.000 1.169 501 A CA 1.889 53.870 52.037 -0.094 0.000 0.635 501 A CB -0.819 18.126 19.000 -0.092 0.000 0.810 501 A HN 1.046 nan 8.150 nan 0.000 0.445 502 A N -0.742 122.036 122.820 -0.069 0.000 1.968 502 A HA 0.115 4.434 4.320 -0.001 0.000 0.217 502 A C 2.091 179.693 177.584 0.031 0.000 1.169 502 A CA 1.565 53.563 52.037 -0.064 0.000 0.638 502 A CB -0.533 18.346 19.000 -0.202 0.000 0.812 502 A HN 0.354 nan 8.150 nan 0.000 0.446 503 V N -0.400 119.549 119.914 0.058 0.000 2.649 503 V HA -0.064 4.056 4.120 -0.001 0.000 0.248 503 V C 2.003 178.081 176.094 -0.025 0.000 1.054 503 V CA 1.394 63.731 62.300 0.061 0.000 1.073 503 V CB -0.438 31.421 31.823 0.060 0.000 0.699 503 V HN 0.538 nan 8.190 nan 0.000 0.463 504 L N 0.329 121.514 121.223 -0.062 0.000 2.607 504 L HA 0.432 4.771 4.340 -0.001 0.000 0.228 504 L C 1.522 178.378 176.870 -0.023 0.000 1.123 504 L CA 0.657 55.432 54.840 -0.108 0.000 0.890 504 L CB -0.334 41.625 42.059 -0.167 0.000 1.103 504 L HN 0.438 nan 8.230 nan 0.000 0.468 505 G N 2.235 111.034 108.800 -0.000 0.000 2.314 505 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.292 505 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.292 505 G C -0.005 174.873 174.900 -0.038 0.000 1.059 505 G CA 0.778 45.905 45.100 0.044 0.000 0.982 505 G HN 0.510 nan 8.290 nan 0.000 0.505 506 I N -3.996 116.482 120.570 -0.155 0.000 3.042 506 I HA 0.715 4.884 4.170 -0.001 0.000 0.310 506 I C -0.239 175.795 176.117 -0.137 0.000 1.117 506 I CA -1.657 59.515 61.300 -0.213 0.000 1.003 506 I CB 1.944 39.651 38.000 -0.488 0.000 1.228 506 I HN -0.011 nan 8.210 nan 0.000 0.443 507 D N 3.704 124.043 120.400 -0.102 0.000 2.424 507 D HA 0.161 4.800 4.640 -0.001 0.000 0.244 507 D C -1.671 174.584 176.300 -0.076 0.000 1.134 507 D CA -1.598 52.360 54.000 -0.070 0.000 0.881 507 D CB 1.625 42.400 40.800 -0.042 0.000 1.191 507 D HN 0.321 nan 8.370 nan 0.000 0.445 508 P HA -0.185 nan 4.420 nan 0.000 0.218 508 P C 1.637 178.911 177.300 -0.044 0.000 1.152 508 P CA 0.665 63.730 63.100 -0.058 0.000 0.857 508 P CB 0.198 31.867 31.700 -0.052 0.000 0.787 509 V N -0.070 119.823 119.914 -0.035 0.000 2.688 509 V HA -0.220 3.899 4.120 -0.001 0.000 0.256 509 V C 2.373 178.458 176.094 -0.014 0.000 1.084 509 V CA 1.652 63.940 62.300 -0.021 0.000 1.103 509 V CB -1.087 30.727 31.823 -0.015 0.000 0.688 509 V HN 0.174 nan 8.190 nan 0.000 0.480 510 Q N -0.534 119.251 119.800 -0.025 0.000 2.472 510 Q HA 0.085 4.424 4.340 -0.001 0.000 0.208 510 Q C 0.365 176.363 176.000 -0.004 0.000 0.958 510 Q CA 0.443 56.238 55.803 -0.013 0.000 0.932 510 Q CB 0.191 28.896 28.738 -0.054 0.000 1.007 510 Q HN 0.518 nan 8.270 nan 0.000 0.508 511 V N 1.260 121.162 119.914 -0.019 0.000 2.459 511 V HA 0.437 4.556 4.120 -0.001 0.000 0.295 511 V C -0.265 175.825 176.094 -0.007 0.000 1.029 511 V CA -0.978 61.314 62.300 -0.013 0.000 0.874 511 V CB 1.978 33.780 31.823 -0.034 0.000 0.985 511 V HN 0.002 nan 8.190 nan 0.000 0.438 512 R N 4.113 124.616 120.500 0.006 0.000 2.435 512 R HA 0.566 4.905 4.340 -0.001 0.000 0.308 512 R C -0.964 175.319 176.300 -0.028 0.000 0.975 512 R CA -0.529 55.567 56.100 -0.006 0.000 0.867 512 R CB 1.099 31.407 30.300 0.013 0.000 1.171 512 R HN 0.650 nan 8.270 nan 0.000 0.470 513 I N 3.729 124.256 120.570 -0.072 0.000 2.752 513 I HA 0.169 4.339 4.170 -0.001 0.000 0.287 513 I C -0.161 175.865 176.117 -0.153 0.000 1.188 513 I CA 1.032 62.241 61.300 -0.152 0.000 1.427 513 I CB 1.014 38.828 38.000 -0.311 0.000 1.365 513 I HN 0.890 nan 8.210 nan 0.000 0.585 514 T N 4.630 119.088 114.554 -0.160 0.000 2.932 514 T HA 0.831 5.181 4.350 -0.001 0.000 0.289 514 T C -0.099 174.506 174.700 -0.158 0.000 1.039 514 T CA -0.603 61.428 62.100 -0.115 0.000 1.024 514 T CB 1.232 70.070 68.868 -0.051 0.000 1.090 514 T HN 0.901 nan 8.240 nan 0.000 0.496 515 A N 2.136 124.901 122.820 -0.091 0.000 2.540 515 A HA 0.438 4.757 4.320 -0.001 0.000 0.239 515 A C 0.913 178.453 177.584 -0.073 0.000 1.061 515 A CA -0.233 51.766 52.037 -0.062 0.000 0.758 515 A CB -0.892 18.100 19.000 -0.013 0.000 0.991 515 A HN 0.930 nan 8.150 nan 0.000 0.502 516 T N 2.419 116.931 114.554 -0.069 0.000 2.923 516 T HA 0.216 4.565 4.350 -0.001 0.000 0.304 516 T C -0.068 174.603 174.700 -0.048 0.000 1.044 516 T CA 1.020 63.072 62.100 -0.080 0.000 1.141 516 T CB -0.015 68.817 68.868 -0.060 0.000 1.023 516 T HN 0.691 nan 8.240 nan 0.000 0.533 517 D N 1.826 122.199 120.400 -0.044 0.000 2.548 517 D HA 0.069 4.709 4.640 -0.001 0.000 0.214 517 D C 1.199 177.486 176.300 -0.021 0.000 1.345 517 D CA -0.381 53.598 54.000 -0.036 0.000 0.945 517 D CB 1.181 41.962 40.800 -0.031 0.000 1.499 517 D HN 0.529 nan 8.370 nan 0.000 0.579 518 T N 0.049 114.589 114.554 -0.023 0.000 2.946 518 T HA -0.173 4.176 4.350 -0.001 0.000 0.271 518 T C 1.596 176.299 174.700 0.005 0.000 1.104 518 T CA 1.708 63.806 62.100 -0.005 0.000 1.114 518 T CB -0.148 68.710 68.868 -0.017 0.000 0.867 518 T HN 0.253 nan 8.240 nan 0.000 0.513 519 S N 0.431 116.127 115.700 -0.006 0.000 2.528 519 S HA 0.185 4.655 4.470 -0.001 0.000 0.219 519 S C 1.807 176.413 174.600 0.009 0.000 0.985 519 S CA -0.168 58.034 58.200 0.004 0.000 0.914 519 S CB -0.131 63.065 63.200 -0.008 0.000 0.776 519 S HN 0.617 nan 8.310 nan 0.000 0.526 520 K N 0.452 120.856 120.400 0.007 0.000 2.190 520 K HA 0.270 4.589 4.320 -0.001 0.000 0.202 520 K C -0.349 176.268 176.600 0.028 0.000 1.045 520 K CA 0.560 56.855 56.287 0.013 0.000 0.976 520 K CB 0.350 32.853 32.500 0.005 0.000 0.849 520 K HN 0.196 nan 8.250 nan 0.000 0.468 521 V N 4.230 124.163 119.914 0.031 0.000 2.407 521 V HA 0.279 4.398 4.120 -0.001 0.000 0.291 521 V C -2.533 173.598 176.094 0.062 0.000 1.018 521 V CA -1.907 60.427 62.300 0.057 0.000 0.842 521 V CB 1.429 33.295 31.823 0.071 0.000 0.996 521 V HN 0.118 nan 8.190 nan 0.000 0.426 522 P HA 0.429 nan 4.420 nan 0.000 0.285 522 P C -0.441 176.920 177.300 0.103 0.000 1.269 522 P CA -0.470 62.676 63.100 0.077 0.000 0.844 522 P CB 0.911 32.652 31.700 0.068 0.000 1.094 523 N N -1.559 117.208 118.700 0.110 0.000 2.738 523 N HA -0.096 4.643 4.740 -0.001 0.000 0.249 523 N C -0.082 175.508 175.510 0.133 0.000 1.047 523 N CA 1.126 54.256 53.050 0.133 0.000 0.707 523 N CB -2.308 36.257 38.487 0.130 0.000 0.937 523 N HN 0.657 nan 8.380 nan 0.000 0.545 524 T N -3.181 111.441 114.554 0.115 0.000 2.918 524 T HA 0.607 4.957 4.350 -0.001 0.000 0.283 524 T C 0.760 175.492 174.700 0.053 0.000 1.001 524 T CA -0.613 61.533 62.100 0.078 0.000 1.041 524 T CB 2.007 70.910 68.868 0.058 0.000 1.028 524 T HN 0.088 nan 8.240 nan 0.000 0.511 525 S N 0.620 116.267 115.700 -0.088 0.000 2.669 525 S HA 0.636 5.105 4.470 -0.001 0.000 0.270 525 S C 0.762 174.997 174.600 -0.608 0.000 1.225 525 S CA -0.728 57.290 58.200 -0.303 0.000 0.991 525 S CB 0.523 63.422 63.200 -0.503 0.000 0.987 525 S HN 1.116 nan 8.310 nan 0.000 0.552 526 A N 1.248 123.317 122.820 -1.251 0.000 2.507 526 A HA 0.343 4.662 4.320 -0.001 0.000 0.235 526 A C 0.380 177.859 177.584 -0.174 0.000 1.070 526 A CA -0.137 51.409 52.037 -0.818 0.000 0.768 526 A CB -0.358 18.347 19.000 -0.492 0.000 1.011 526 A HN 0.682 nan 8.150 nan 0.000 0.502 527 T N 1.734 116.225 114.554 -0.106 0.000 2.776 527 T HA 0.546 4.895 4.350 -0.001 0.000 0.292 527 T C 0.152 174.824 174.700 -0.046 0.000 0.921 527 T CA 0.739 62.821 62.100 -0.030 0.000 1.038 527 T CB -0.228 68.613 68.868 -0.044 0.000 0.910 527 T HN 1.322 nan 8.240 nan 0.000 0.536 528 A N 2.298 125.086 122.820 -0.053 0.000 2.564 528 A HA 0.851 5.170 4.320 -0.001 0.000 0.291 528 A C 0.167 177.452 177.584 -0.498 0.000 1.102 528 A CA -0.484 51.424 52.037 -0.215 0.000 0.660 528 A CB 0.324 19.225 19.000 -0.165 0.000 1.283 528 A HN 1.710 nan 8.150 nan 0.000 0.430 529 A N -0.058 122.431 122.820 -0.552 0.000 2.560 529 A HA 0.103 4.423 4.320 -0.001 0.000 0.299 529 A C 0.889 178.269 177.584 -0.339 0.000 1.484 529 A CA 1.403 53.105 52.037 -0.557 0.000 0.749 529 A CB -2.531 15.849 19.000 -1.033 0.000 1.072 529 A HN 2.416 nan 8.150 nan 0.000 0.426 530 S N -1.410 114.170 115.700 -0.200 0.000 3.294 530 S HA -0.205 4.265 4.470 -0.001 0.000 0.361 530 S C 1.217 175.754 174.600 -0.104 0.000 0.935 530 S CA 1.494 59.620 58.200 -0.124 0.000 1.263 530 S CB -1.493 61.653 63.200 -0.090 0.000 0.891 530 S HN 2.398 nan 8.310 nan 0.000 0.487 531 S N -1.667 113.967 115.700 -0.111 0.000 2.687 531 S HA 0.341 4.810 4.470 -0.001 0.000 0.247 531 S C 1.836 176.448 174.600 0.019 0.000 1.050 531 S CA 0.386 58.564 58.200 -0.036 0.000 1.063 531 S CB 0.230 63.407 63.200 -0.038 0.000 1.039 531 S HN 0.646 nan 8.310 nan 0.000 0.580 532 G N 2.144 110.947 108.800 0.005 0.000 2.469 532 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.219 532 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.219 532 G C 1.503 176.401 174.900 -0.004 0.000 1.150 532 G CA 1.044 46.157 45.100 0.021 0.000 0.763 532 G HN 0.805 nan 8.290 nan 0.000 0.561 533 A N 0.384 123.189 122.820 -0.025 0.000 1.943 533 A HA 0.150 4.469 4.320 -0.001 0.000 0.213 533 A C 2.011 179.560 177.584 -0.059 0.000 1.181 533 A CA 1.656 53.662 52.037 -0.052 0.000 0.653 533 A CB -0.257 18.718 19.000 -0.041 0.000 0.833 533 A HN 0.252 nan 8.150 nan 0.000 0.451 534 D N 0.020 120.404 120.400 -0.025 0.000 2.137 534 D HA -0.208 4.432 4.640 -0.001 0.000 0.189 534 D C 2.051 178.270 176.300 -0.136 0.000 0.998 534 D CA 2.143 56.123 54.000 -0.033 0.000 0.839 534 D CB -0.206 40.628 40.800 0.057 0.000 0.962 534 D HN 0.473 nan 8.370 nan 0.000 0.446 535 M N -0.520 119.042 119.600 -0.063 0.000 2.248 535 M HA 0.002 4.482 4.480 -0.001 0.000 0.265 535 M C 1.807 178.042 176.300 -0.108 0.000 1.079 535 M CA 0.544 55.807 55.300 -0.061 0.000 1.150 535 M CB -0.102 32.583 32.600 0.141 0.000 1.366 535 M HN -0.025 nan 8.290 nan 0.000 0.433 536 N N 0.932 119.595 118.700 -0.062 0.000 2.166 536 N HA -0.094 4.645 4.740 -0.001 0.000 0.186 536 N C 1.862 177.287 175.510 -0.142 0.000 1.019 536 N CA 1.633 54.643 53.050 -0.067 0.000 0.856 536 N CB -0.492 37.968 38.487 -0.045 0.000 0.993 536 N HN 0.429 nan 8.380 nan 0.000 0.426 537 G N 2.497 111.196 108.800 -0.168 0.000 2.599 537 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.219 537 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.219 537 G C 1.557 176.334 174.900 -0.205 0.000 1.193 537 G CA 1.051 46.053 45.100 -0.163 0.000 0.778 537 G HN 0.157 nan 8.290 nan 0.000 0.589 538 M N 1.046 120.438 119.600 -0.346 0.000 2.067 538 M HA -0.002 4.477 4.480 -0.001 0.000 0.260 538 M C 3.105 179.303 176.300 -0.170 0.000 1.069 538 M CA 1.499 56.549 55.300 -0.416 0.000 1.117 538 M CB -1.539 30.419 32.600 -1.070 0.000 1.334 538 M HN 0.335 nan 8.290 nan 0.000 0.407 539 A N -0.092 122.674 122.820 -0.090 0.000 1.940 539 A HA -0.092 4.227 4.320 -0.001 0.000 0.219 539 A C 2.513 180.102 177.584 0.009 0.000 1.176 539 A CA 1.849 53.895 52.037 0.014 0.000 0.631 539 A CB -1.010 18.009 19.000 0.033 0.000 0.814 539 A HN 0.306 nan 8.150 nan 0.000 0.446 540 V N 0.347 120.242 119.914 -0.032 0.000 2.270 540 V HA -0.277 3.843 4.120 -0.001 0.000 0.245 540 V C 2.581 178.659 176.094 -0.026 0.000 1.043 540 V CA 2.400 64.685 62.300 -0.025 0.000 1.014 540 V CB -0.625 31.163 31.823 -0.058 0.000 0.645 540 V HN 0.767 nan 8.190 nan 0.000 0.447 541 K N 0.201 120.568 120.400 -0.055 0.000 2.103 541 K HA -0.298 4.021 4.320 -0.001 0.000 0.207 541 K C 1.873 178.445 176.600 -0.046 0.000 1.048 541 K CA 2.318 58.568 56.287 -0.061 0.000 0.930 541 K CB -0.380 32.032 32.500 -0.145 0.000 0.716 541 K HN 0.550 nan 8.250 nan 0.000 0.444 542 D N 0.130 120.513 120.400 -0.028 0.000 2.092 542 D HA -0.163 4.476 4.640 -0.001 0.000 0.193 542 D C 1.764 178.072 176.300 0.013 0.000 0.994 542 D CA 1.948 55.954 54.000 0.010 0.000 0.828 542 D CB -0.163 40.672 40.800 0.059 0.000 0.963 542 D HN 0.343 nan 8.370 nan 0.000 0.450 543 A N -0.458 122.373 122.820 0.019 0.000 1.898 543 A HA -0.134 4.185 4.320 -0.001 0.000 0.216 543 A C 2.654 180.234 177.584 -0.006 0.000 1.181 543 A CA 1.448 53.495 52.037 0.016 0.000 0.620 543 A CB -1.039 17.976 19.000 0.025 0.000 0.819 543 A HN 0.518 nan 8.150 nan 0.000 0.442 544 C N -0.347 118.944 119.300 -0.014 0.000 2.413 544 C HA -0.118 4.342 4.460 -0.001 0.000 0.276 544 C C 2.680 177.638 174.990 -0.054 0.000 1.248 544 C CA 1.270 60.269 59.018 -0.030 0.000 1.742 544 C CB -1.272 26.451 27.740 -0.027 0.000 2.017 544 C HN 0.682 nan 8.230 nan 0.000 0.481 545 E N 0.130 120.302 120.200 -0.048 0.000 2.072 545 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 545 E C 2.080 178.651 176.600 -0.047 0.000 0.985 545 E CA 1.703 58.069 56.400 -0.057 0.000 0.801 545 E CB -0.449 29.226 29.700 -0.040 0.000 0.750 545 E HN 0.616 nan 8.360 nan 0.000 0.452 546 T N 2.235 116.775 114.554 -0.025 0.000 2.624 546 T HA -0.205 4.144 4.350 -0.001 0.000 0.268 546 T C 2.037 176.719 174.700 -0.030 0.000 1.041 546 T CA 1.210 63.300 62.100 -0.017 0.000 1.159 546 T CB -0.382 68.483 68.868 -0.004 0.000 0.863 546 T HN 0.077 nan 8.240 nan 0.000 0.434 547 L N 0.342 121.543 121.223 -0.037 0.000 1.989 547 L HA -0.111 4.229 4.340 -0.001 0.000 0.211 547 L C 2.980 179.798 176.870 -0.086 0.000 1.071 547 L CA 1.480 56.294 54.840 -0.043 0.000 0.749 547 L CB -0.546 41.499 42.059 -0.022 0.000 0.890 547 L HN 0.133 nan 8.230 nan 0.000 0.431 548 R N 0.346 120.745 120.500 -0.167 0.000 2.117 548 R HA -0.177 4.163 4.340 -0.001 0.000 0.243 548 R C 2.154 178.322 176.300 -0.219 0.000 1.143 548 R CA 1.632 57.500 56.100 -0.387 0.000 0.968 548 R CB -0.589 29.437 30.300 -0.457 0.000 0.863 548 R HN 0.481 nan 8.270 nan 0.000 0.444 549 G N 0.662 109.409 108.800 -0.090 0.000 2.459 549 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 549 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 549 G C 1.502 176.421 174.900 0.032 0.000 1.183 549 G CA 0.804 45.898 45.100 -0.010 0.000 0.776 549 G HN 0.352 nan 8.290 nan 0.000 0.552 550 R N -0.182 120.328 120.500 0.017 0.000 2.075 550 R HA 0.145 4.485 4.340 -0.001 0.000 0.232 550 R C 2.645 179.004 176.300 0.098 0.000 1.126 550 R CA 0.736 56.860 56.100 0.040 0.000 0.963 550 R CB -0.473 29.829 30.300 0.003 0.000 0.858 550 R HN 0.291 nan 8.270 nan 0.000 0.435 551 L N 0.208 121.494 121.223 0.106 0.000 2.017 551 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 551 L C 2.660 179.753 176.870 0.371 0.000 1.073 551 L CA 1.380 56.364 54.840 0.241 0.000 0.745 551 L CB -0.689 41.550 42.059 0.299 0.000 0.894 551 L HN 0.299 nan 8.230 nan 0.000 0.432 552 A N 0.333 123.377 122.820 0.374 0.000 1.883 552 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 552 A C 2.388 180.077 177.584 0.176 0.000 1.186 552 A CA 1.853 54.100 52.037 0.350 0.000 0.624 552 A CB -1.330 17.868 19.000 0.330 0.000 0.822 552 A HN 0.455 nan 8.150 nan 0.000 0.444 553 G N -1.046 107.840 108.800 0.144 0.000 2.440 553 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.218 553 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.218 553 G C 1.486 176.440 174.900 0.091 0.000 1.154 553 G CA 1.303 46.461 45.100 0.096 0.000 0.767 553 G HN 0.579 nan 8.290 nan 0.000 0.552 554 F N 1.241 121.185 119.950 -0.011 0.000 2.102 554 F HA -0.061 4.465 4.527 -0.001 0.000 0.298 554 F C 2.613 178.362 175.800 -0.085 0.000 1.105 554 F CA 1.605 59.577 58.000 -0.047 0.000 1.239 554 F CB -0.498 38.469 39.000 -0.054 0.000 0.991 554 F HN 0.006 nan 8.300 nan 0.000 0.474 555 V N 0.971 120.710 119.914 -0.292 0.000 2.261 555 V HA -0.297 3.823 4.120 -0.001 0.000 0.246 555 V C 2.848 178.738 176.094 -0.339 0.000 1.047 555 V CA 1.871 63.882 62.300 -0.482 0.000 1.015 555 V CB -1.564 30.083 31.823 -0.293 0.000 0.642 555 V HN 0.549 nan 8.190 nan 0.000 0.446 556 A N 0.014 122.743 122.820 -0.152 0.000 1.884 556 A HA -0.271 4.048 4.320 -0.001 0.000 0.219 556 A C 2.407 179.920 177.584 -0.118 0.000 1.197 556 A CA 2.816 54.799 52.037 -0.090 0.000 0.637 556 A CB -1.085 17.904 19.000 -0.018 0.000 0.827 556 A HN 0.622 nan 8.150 nan 0.000 0.450 557 A N -0.817 121.923 122.820 -0.134 0.000 1.829 557 A HA -0.219 4.101 4.320 -0.001 0.000 0.216 557 A C 2.227 179.693 177.584 -0.196 0.000 1.207 557 A CA 1.909 53.867 52.037 -0.133 0.000 0.622 557 A CB -0.764 18.175 19.000 -0.103 0.000 0.846 557 A HN 0.438 nan 8.150 nan 0.000 0.447 558 R N -0.326 119.966 120.500 -0.346 0.000 2.244 558 R HA -0.166 4.174 4.340 -0.001 0.000 0.252 558 R C 0.269 176.414 176.300 -0.258 0.000 1.177 558 R CA 1.726 57.600 56.100 -0.376 0.000 1.004 558 R CB -0.175 29.695 30.300 -0.716 0.000 0.873 558 R HN 0.537 nan 8.270 nan 0.000 0.469 559 E N -0.997 119.070 120.200 -0.222 0.000 2.603 559 E HA 0.138 4.488 4.350 -0.001 0.000 0.211 559 E C -0.105 176.460 176.600 -0.059 0.000 0.995 559 E CA 0.352 56.685 56.400 -0.112 0.000 0.990 559 E CB 0.633 30.278 29.700 -0.091 0.000 1.036 559 E HN 0.411 nan 8.360 nan 0.000 0.475 560 G N 2.435 111.192 108.800 -0.072 0.000 2.511 560 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.175 560 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.175 560 G C 0.410 175.295 174.900 -0.025 0.000 0.233 560 G CA 0.453 45.527 45.100 -0.043 0.000 1.033 560 G HN 0.748 nan 8.290 nan 0.000 0.464 561 C N -0.671 118.616 119.300 -0.022 0.000 2.110 561 C HA 0.613 5.073 4.460 -0.001 0.000 0.192 561 C C 0.665 175.653 174.990 -0.002 0.000 0.879 561 C CA -0.707 58.307 59.018 -0.007 0.000 1.066 561 C CB -0.075 27.666 27.740 0.001 0.000 1.811 561 C HN 2.885 nan 8.230 nan 0.000 0.651 562 A N 1.283 124.109 122.820 0.009 0.000 2.522 562 A HA 0.617 4.936 4.320 -0.001 0.000 0.256 562 A C 1.508 179.110 177.584 0.030 0.000 1.086 562 A CA 1.167 53.215 52.037 0.018 0.000 0.763 562 A CB 0.076 19.089 19.000 0.022 0.000 1.024 562 A HN 2.682 nan 8.150 nan 0.000 0.502 563 A N 3.594 126.434 122.820 0.035 0.000 1.892 563 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 563 A C 2.159 179.792 177.584 0.082 0.000 1.188 563 A CA 1.786 53.858 52.037 0.058 0.000 0.631 563 A CB -0.517 18.518 19.000 0.059 0.000 0.822 563 A HN 1.036 nan 8.150 nan 0.000 0.447 564 R N -0.671 119.869 120.500 0.067 0.000 2.316 564 R HA -0.163 4.177 4.340 -0.001 0.000 0.232 564 R C -0.148 176.199 176.300 0.078 0.000 1.137 564 R CA 1.801 57.944 56.100 0.072 0.000 1.012 564 R CB -0.589 29.741 30.300 0.051 0.000 0.859 564 R HN 0.342 nan 8.270 nan 0.000 0.474 565 D N 0.971 121.411 120.400 0.068 0.000 2.363 565 D HA 0.115 4.755 4.640 -0.001 0.000 0.214 565 D C -0.239 176.101 176.300 0.067 0.000 1.093 565 D CA 0.027 54.063 54.000 0.061 0.000 0.837 565 D CB 0.757 41.582 40.800 0.042 0.000 0.948 565 D HN 0.003 nan 8.370 nan 0.000 0.507 566 V N 1.942 121.910 119.914 0.090 0.000 2.461 566 V HA 0.260 4.380 4.120 -0.001 0.000 0.275 566 V C 0.456 176.611 176.094 0.102 0.000 1.047 566 V CA -0.465 61.873 62.300 0.064 0.000 0.955 566 V CB 1.175 33.041 31.823 0.072 0.000 0.988 566 V HN -0.081 nan 8.190 nan 0.000 0.471 567 I N 5.295 125.862 120.570 -0.005 0.000 2.362 567 I HA 0.426 4.596 4.170 -0.001 0.000 0.289 567 I C -0.785 175.305 176.117 -0.044 0.000 0.994 567 I CA -0.068 61.273 61.300 0.068 0.000 1.158 567 I CB 1.212 39.248 38.000 0.061 0.000 1.315 567 I HN 0.378 nan 8.210 nan 0.000 0.451 568 F N 4.547 124.565 119.950 0.113 0.000 2.313 568 F HA 0.461 4.988 4.527 -0.001 0.000 0.369 568 F C 0.033 175.883 175.800 0.082 0.000 1.109 568 F CA -0.507 57.571 58.000 0.131 0.000 1.132 568 F CB 0.769 39.856 39.000 0.147 0.000 1.291 568 F HN 0.423 nan 8.300 nan 0.000 0.496 569 D N 1.066 121.576 120.400 0.184 0.000 2.753 569 D HA 0.575 5.215 4.640 -0.001 0.000 0.224 569 D C -0.258 176.087 176.300 0.074 0.000 1.213 569 D CA -0.277 53.789 54.000 0.110 0.000 0.833 569 D CB 1.828 42.675 40.800 0.078 0.000 1.607 569 D HN 0.596 nan 8.370 nan 0.000 0.463 570 A N 2.047 124.891 122.820 0.039 0.000 2.748 570 A HA 0.137 4.457 4.320 -0.001 0.000 0.297 570 A C 1.527 179.133 177.584 0.035 0.000 1.508 570 A CA 1.999 54.049 52.037 0.022 0.000 0.799 570 A CB -2.269 16.741 19.000 0.017 0.000 1.011 570 A HN 1.956 nan 8.150 nan 0.000 0.500 571 G N -2.792 106.034 108.800 0.042 0.000 2.155 571 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.257 571 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.257 571 G C -0.145 174.850 174.900 0.158 0.000 0.983 571 G CA 0.930 46.076 45.100 0.076 0.000 0.676 571 G HN 1.433 nan 8.290 nan 0.000 0.528 572 Q N -0.437 119.447 119.800 0.140 0.000 2.337 572 Q HA 0.612 4.952 4.340 -0.001 0.000 0.270 572 Q C -0.309 175.754 176.000 0.105 0.000 1.043 572 Q CA -0.656 55.225 55.803 0.130 0.000 0.794 572 Q CB 2.698 31.475 28.738 0.065 0.000 1.281 572 Q HN 0.234 nan 8.270 nan 0.000 0.446 573 V N 2.361 122.339 119.914 0.107 0.000 2.427 573 V HA 0.397 4.517 4.120 -0.001 0.000 0.286 573 V C -0.170 175.995 176.094 0.117 0.000 1.034 573 V CA -0.536 61.714 62.300 -0.082 0.000 0.893 573 V CB 1.644 33.367 31.823 -0.166 0.000 0.982 573 V HN 0.627 nan 8.190 nan 0.000 0.452 574 Q N 2.623 122.423 119.800 0.000 0.000 2.304 574 Q HA 0.788 5.128 4.340 -0.001 0.000 0.270 574 Q C -0.912 175.153 176.000 0.110 0.000 1.035 574 Q CA -0.493 55.363 55.803 0.090 0.000 0.781 574 Q CB 2.547 31.296 28.738 0.018 0.000 1.261 574 Q HN 0.943 nan 8.270 nan 0.000 0.444 575 A N 1.004 123.963 122.820 0.233 0.000 2.566 575 A HA 0.564 4.883 4.320 -0.001 0.000 0.297 575 A C -0.166 177.521 177.584 0.172 0.000 1.059 575 A CA -0.483 51.660 52.037 0.178 0.000 0.691 575 A CB 1.551 20.640 19.000 0.149 0.000 1.282 575 A HN 0.622 nan 8.150 nan 0.000 0.401 576 S N 0.245 116.000 115.700 0.092 0.000 3.486 576 S HA -0.079 4.390 4.470 -0.001 0.000 0.371 576 S C 1.755 176.379 174.600 0.040 0.000 1.001 576 S CA 2.223 60.463 58.200 0.065 0.000 1.164 576 S CB -1.380 61.868 63.200 0.079 0.000 0.911 576 S HN 2.853 nan 8.310 nan 0.000 0.472 577 G N -0.580 108.226 108.800 0.010 0.000 2.363 577 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.238 577 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.238 577 G C 0.163 175.003 174.900 -0.100 0.000 1.062 577 G CA 0.865 45.945 45.100 -0.033 0.000 0.629 577 G HN 0.668 nan 8.290 nan 0.000 0.514 578 K N 0.764 121.077 120.400 -0.144 0.000 2.179 578 K HA 0.681 5.001 4.320 -0.001 0.000 0.238 578 K C 0.304 176.526 176.600 -0.630 0.000 1.033 578 K CA 0.282 56.308 56.287 -0.434 0.000 0.926 578 K CB 1.193 33.350 32.500 -0.573 0.000 1.151 578 K HN 0.707 nan 8.250 nan 0.000 0.492 579 S N -0.789 114.277 115.700 -1.057 0.000 2.535 579 S HA 0.520 4.990 4.470 -0.001 0.000 0.272 579 S C -1.512 172.588 174.600 -0.833 0.000 1.149 579 S CA -1.167 56.607 58.200 -0.710 0.000 0.888 579 S CB 0.828 63.869 63.200 -0.265 0.000 1.110 579 S HN 0.573 nan 8.310 nan 0.000 0.463 580 W N 0.719 122.001 121.300 -0.031 0.000 2.929 580 W HA 0.524 5.184 4.660 -0.001 0.000 0.345 580 W C 0.194 176.725 176.519 0.019 0.000 1.151 580 W CA -1.106 56.235 57.345 -0.006 0.000 1.111 580 W CB 1.732 31.187 29.460 -0.008 0.000 1.449 580 W HN 0.563 nan 8.180 nan 0.000 0.572 581 R N 0.792 121.459 120.500 0.278 0.000 2.594 581 R HA 0.069 4.408 4.340 -0.001 0.000 0.272 581 R C 1.166 177.631 176.300 0.276 0.000 1.074 581 R CA -0.436 55.804 56.100 0.233 0.000 1.105 581 R CB 0.559 30.966 30.300 0.178 0.000 1.008 581 R HN 0.405 nan 8.270 nan 0.000 0.472 582 F N 2.723 122.757 119.950 0.140 0.000 2.045 582 F HA -0.368 4.159 4.527 -0.001 0.000 0.297 582 F C 2.106 177.987 175.800 0.134 0.000 1.114 582 F CA 2.432 60.524 58.000 0.153 0.000 1.207 582 F CB -0.378 38.713 39.000 0.152 0.000 0.964 582 F HN 0.683 nan 8.300 nan 0.000 0.486 583 A N -0.347 122.575 122.820 0.170 0.000 1.940 583 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 583 A C 2.091 179.674 177.584 -0.002 0.000 1.176 583 A CA 1.910 53.973 52.037 0.043 0.000 0.631 583 A CB -0.946 18.131 19.000 0.128 0.000 0.814 583 A HN 0.628 nan 8.150 nan 0.000 0.446 584 E N -0.479 119.761 120.200 0.067 0.000 2.085 584 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 584 E C 1.849 178.451 176.600 0.004 0.000 0.994 584 E CA 1.209 57.656 56.400 0.077 0.000 0.801 584 E CB -0.233 29.579 29.700 0.187 0.000 0.743 584 E HN 0.523 nan 8.360 nan 0.000 0.453 585 I N 0.702 121.246 120.570 -0.043 0.000 2.179 585 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 585 I C 2.411 178.440 176.117 -0.146 0.000 1.088 585 I CA 0.999 62.249 61.300 -0.083 0.000 1.357 585 I CB -1.120 36.825 38.000 -0.093 0.000 1.051 585 I HN 0.003 nan 8.210 nan 0.000 0.409 586 V N 1.386 121.134 119.914 -0.276 0.000 2.343 586 V HA -0.253 3.867 4.120 -0.001 0.000 0.247 586 V C 2.827 178.837 176.094 -0.140 0.000 1.051 586 V CA 1.749 63.879 62.300 -0.284 0.000 1.036 586 V CB -1.394 30.194 31.823 -0.393 0.000 0.654 586 V HN 0.449 nan 8.190 nan 0.000 0.451 587 A N 0.120 122.896 122.820 -0.072 0.000 1.908 587 A HA -0.124 4.195 4.320 -0.001 0.000 0.218 587 A C 2.428 180.028 177.584 0.026 0.000 1.181 587 A CA 2.209 54.251 52.037 0.009 0.000 0.627 587 A CB -0.779 18.236 19.000 0.025 0.000 0.818 587 A HN 0.585 nan 8.150 nan 0.000 0.445 588 A N -0.216 122.584 122.820 -0.032 0.000 1.898 588 A HA 0.198 4.517 4.320 -0.001 0.000 0.216 588 A C 2.484 179.827 177.584 -0.402 0.000 1.181 588 A CA 1.962 53.975 52.037 -0.040 0.000 0.620 588 A CB -0.990 18.113 19.000 0.170 0.000 0.819 588 A HN 1.087 nan 8.150 nan 0.000 0.442 589 A N -1.646 120.744 122.820 -0.716 0.000 2.015 589 A HA -0.051 4.269 4.320 -0.001 0.000 0.219 589 A C 2.066 179.379 177.584 -0.453 0.000 1.163 589 A CA 1.596 53.030 52.037 -1.005 0.000 0.646 589 A CB -0.684 17.872 19.000 -0.740 0.000 0.806 589 A HN 0.771 nan 8.150 nan 0.000 0.448 590 Y N -0.164 119.944 120.300 -0.320 0.000 2.153 590 Y HA -0.182 4.367 4.550 -0.001 0.000 0.289 590 Y C 2.284 178.093 175.900 -0.152 0.000 1.127 590 Y CA 1.901 59.887 58.100 -0.189 0.000 1.131 590 Y CB -0.337 38.050 38.460 -0.122 0.000 0.995 590 Y HN 0.184 nan 8.280 nan 0.000 0.505 591 M N 0.727 120.177 119.600 -0.251 0.000 2.113 591 M HA -0.275 4.204 4.480 -0.001 0.000 0.255 591 M C 2.259 178.388 176.300 -0.286 0.000 1.073 591 M CA 2.078 57.221 55.300 -0.262 0.000 1.091 591 M CB -1.869 30.694 32.600 -0.061 0.000 1.309 591 M HN 0.505 nan 8.290 nan 0.000 0.407 592 A N -0.607 122.056 122.820 -0.262 0.000 2.239 592 A HA 0.005 4.325 4.320 -0.001 0.000 0.209 592 A C 0.632 178.092 177.584 -0.205 0.000 1.171 592 A CA 0.118 52.044 52.037 -0.184 0.000 0.768 592 A CB -0.547 18.372 19.000 -0.135 0.000 0.790 592 A HN 0.602 nan 8.150 nan 0.000 0.478 593 R N -1.425 118.904 120.500 -0.285 0.000 3.201 593 R HA -0.138 4.202 4.340 -0.001 0.000 0.254 593 R C -1.114 175.088 176.300 -0.164 0.000 0.978 593 R CA 0.772 56.733 56.100 -0.231 0.000 0.661 593 R CB -2.125 28.069 30.300 -0.176 0.000 1.170 593 R HN 0.540 nan 8.270 nan 0.000 0.430 594 I N 0.890 121.349 120.570 -0.185 0.000 2.420 594 I HA 0.069 4.238 4.170 -0.001 0.000 0.282 594 I C 0.773 176.832 176.117 -0.097 0.000 1.019 594 I CA -0.577 60.638 61.300 -0.143 0.000 1.130 594 I CB 1.860 39.732 38.000 -0.213 0.000 1.262 594 I HN 0.206 nan 8.210 nan 0.000 0.454 595 S N 6.929 122.592 115.700 -0.061 0.000 3.074 595 S HA -0.008 4.461 4.470 -0.001 0.000 0.359 595 S C 0.612 175.185 174.600 -0.046 0.000 1.207 595 S CA 0.201 58.377 58.200 -0.039 0.000 1.061 595 S CB 0.028 63.209 63.200 -0.031 0.000 0.769 595 S HN 0.539 nan 8.310 nan 0.000 0.512 596 L N 4.507 125.704 121.223 -0.043 0.000 2.848 596 L HA 0.305 4.644 4.340 -0.001 0.000 0.240 596 L C 0.689 177.511 176.870 -0.081 0.000 1.232 596 L CA -0.302 54.501 54.840 -0.062 0.000 1.031 596 L CB 0.035 42.054 42.059 -0.067 0.000 1.338 596 L HN 0.595 nan 8.230 nan 0.000 0.509 597 S N 0.617 116.280 115.700 -0.062 0.000 2.526 597 S HA 0.881 5.350 4.470 -0.001 0.000 0.293 597 S C -0.876 173.703 174.600 -0.035 0.000 1.092 597 S CA -0.293 57.870 58.200 -0.062 0.000 0.980 597 S CB 2.072 65.239 63.200 -0.057 0.000 1.048 597 S HN 0.188 nan 8.310 nan 0.000 0.483 598 A N 2.592 125.396 122.820 -0.026 0.000 2.513 598 A HA 0.675 4.995 4.320 -0.001 0.000 0.296 598 A C -0.120 177.469 177.584 0.008 0.000 1.052 598 A CA -0.511 51.521 52.037 -0.008 0.000 0.714 598 A CB 1.019 20.014 19.000 -0.008 0.000 1.279 598 A HN 1.143 nan 8.150 nan 0.000 0.397 599 T N -0.300 114.266 114.554 0.021 0.000 2.874 599 T HA 0.788 5.137 4.350 -0.001 0.000 0.281 599 T C 0.359 175.100 174.700 0.069 0.000 0.994 599 T CA -0.041 62.087 62.100 0.047 0.000 1.015 599 T CB 1.701 70.598 68.868 0.048 0.000 1.028 599 T HN 1.908 nan 8.240 nan 0.000 0.523 600 G N 0.276 109.141 108.800 0.108 0.000 2.719 600 G HA2 0.597 4.556 3.960 -0.001 0.000 0.298 600 G HA3 0.597 4.556 3.960 -0.001 0.000 0.298 600 G C -2.052 172.988 174.900 0.233 0.000 1.411 600 G CA -0.814 44.367 45.100 0.136 0.000 0.991 600 G HN 0.766 nan 8.290 nan 0.000 0.509 601 F N 1.637 121.627 119.950 0.067 0.000 2.599 601 F HA 0.825 5.352 4.527 -0.001 0.000 0.311 601 F C -1.905 173.986 175.800 0.152 0.000 1.076 601 F CA -1.361 56.690 58.000 0.085 0.000 0.937 601 F CB 2.411 41.439 39.000 0.046 0.000 1.282 601 F HN 0.569 nan 8.300 nan 0.000 0.460 602 Y N 3.072 122.877 120.300 -0.826 0.000 2.479 602 Y HA 0.742 5.292 4.550 -0.001 0.000 0.338 602 Y C -1.758 173.708 175.900 -0.723 0.000 1.055 602 Y CA -0.793 56.974 58.100 -0.554 0.000 1.023 602 Y CB 1.742 40.041 38.460 -0.269 0.000 1.287 602 Y HN 0.898 nan 8.280 nan 0.000 0.447 603 A N 3.410 125.531 122.820 -1.165 0.000 2.356 603 A HA 0.626 4.946 4.320 -0.001 0.000 0.310 603 A C -0.844 176.142 177.584 -0.997 0.000 1.075 603 A CA -0.758 50.806 52.037 -0.789 0.000 0.746 603 A CB 0.753 19.572 19.000 -0.302 0.000 1.221 603 A HN 0.695 nan 8.150 nan 0.000 0.443 604 T N 4.995 119.259 114.554 -0.482 0.000 2.799 604 T HA 0.415 4.765 4.350 -0.001 0.000 0.296 604 T C -1.948 172.679 174.700 -0.122 0.000 0.947 604 T CA -0.430 61.560 62.100 -0.185 0.000 1.141 604 T CB 0.199 69.109 68.868 0.071 0.000 0.891 604 T HN 0.611 nan 8.240 nan 0.000 0.533 605 P HA 0.285 nan 4.420 nan 0.000 0.276 605 P C 0.139 177.446 177.300 0.011 0.000 1.261 605 P CA -0.521 62.561 63.100 -0.030 0.000 0.800 605 P CB 0.722 32.419 31.700 -0.004 0.000 1.066 606 K N -2.260 118.147 120.400 0.012 0.000 3.583 606 K HA -0.130 4.189 4.320 -0.001 0.000 0.287 606 K C -0.032 176.579 176.600 0.019 0.000 1.269 606 K CA 0.696 56.995 56.287 0.021 0.000 0.998 606 K CB -1.828 30.690 32.500 0.031 0.000 1.284 606 K HN 0.388 nan 8.250 nan 0.000 0.472 607 L N 1.791 123.025 121.223 0.019 0.000 2.278 607 L HA 0.373 4.712 4.340 -0.001 0.000 0.287 607 L C 0.142 177.048 176.870 0.060 0.000 1.072 607 L CA -0.285 54.569 54.840 0.024 0.000 0.819 607 L CB 1.588 43.661 42.059 0.024 0.000 1.176 607 L HN 0.049 nan 8.230 nan 0.000 0.435 608 S N 4.472 120.223 115.700 0.085 0.000 2.562 608 S HA 0.727 5.197 4.470 -0.001 0.000 0.274 608 S C -1.887 172.843 174.600 0.217 0.000 1.160 608 S CA -0.622 57.651 58.200 0.122 0.000 0.933 608 S CB 1.211 64.447 63.200 0.060 0.000 1.100 608 S HN 0.635 nan 8.310 nan 0.000 0.468 609 W N 3.586 124.831 121.300 -0.091 0.000 3.275 609 W HA 0.519 5.178 4.660 -0.001 0.000 0.306 609 W C -2.473 173.982 176.519 -0.107 0.000 1.259 609 W CA -0.768 56.504 57.345 -0.122 0.000 1.194 609 W CB 0.411 29.757 29.460 -0.191 0.000 1.375 609 W HN 0.610 nan 8.180 nan 0.000 0.564 610 D N 3.013 123.122 120.400 -0.485 0.000 2.349 610 D HA 0.280 4.920 4.640 -0.001 0.000 0.232 610 D C 1.474 177.226 176.300 -0.913 0.000 1.071 610 D CA -0.329 53.293 54.000 -0.629 0.000 0.832 610 D CB 1.447 42.065 40.800 -0.303 0.000 1.086 610 D HN 0.470 nan 8.370 nan 0.000 0.504 611 R N 3.621 123.415 120.500 -1.176 0.000 2.115 611 R HA 0.009 4.348 4.340 -0.001 0.000 0.226 611 R C 1.349 177.594 176.300 -0.092 0.000 1.100 611 R CA 0.655 56.186 56.100 -0.948 0.000 0.980 611 R CB -0.353 29.566 30.300 -0.636 0.000 0.875 611 R HN 0.398 nan 8.270 nan 0.000 0.445 612 L N 0.557 121.713 121.223 -0.112 0.000 2.017 612 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 612 L C 2.635 179.568 176.870 0.106 0.000 1.073 612 L CA 1.531 56.410 54.840 0.067 0.000 0.745 612 L CB -0.349 41.705 42.059 -0.009 0.000 0.894 612 L HN 0.204 nan 8.230 nan 0.000 0.432 613 R N -0.138 120.314 120.500 -0.081 0.000 2.246 613 R HA 0.094 4.433 4.340 -0.001 0.000 0.199 613 R C 1.161 177.230 176.300 -0.386 0.000 0.984 613 R CA 0.592 56.622 56.100 -0.117 0.000 1.015 613 R CB 0.021 30.257 30.300 -0.107 0.000 0.930 613 R HN 0.468 nan 8.270 nan 0.000 0.475 614 G N 1.667 110.044 108.800 -0.704 0.000 2.249 614 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.273 614 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.273 614 G C -0.209 174.332 174.900 -0.599 0.000 1.036 614 G CA 0.147 44.390 45.100 -1.429 0.000 0.824 614 G HN 0.173 nan 8.290 nan 0.000 0.504 615 Q N -0.705 118.944 119.800 -0.252 0.000 2.345 615 Q HA 0.770 5.110 4.340 -0.001 0.000 0.268 615 Q C 0.550 176.599 176.000 0.082 0.000 1.054 615 Q CA 0.494 56.260 55.803 -0.062 0.000 0.835 615 Q CB 2.022 30.721 28.738 -0.064 0.000 1.339 615 Q HN 1.518 nan 8.270 nan 0.000 0.447 616 G N 1.046 109.921 108.800 0.126 0.000 2.325 616 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.285 616 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.285 616 G C -1.463 173.516 174.900 0.132 0.000 1.303 616 G CA -0.952 44.243 45.100 0.159 0.000 0.970 616 G HN 0.366 nan 8.290 nan 0.000 0.490 617 R N 1.502 122.055 120.500 0.088 0.000 2.396 617 R HA 0.391 4.730 4.340 -0.001 0.000 0.292 617 R C -1.745 174.457 176.300 -0.163 0.000 1.240 617 R CA -1.742 54.347 56.100 -0.017 0.000 1.270 617 R CB 1.458 31.759 30.300 0.001 0.000 1.108 617 R HN 0.312 nan 8.270 nan 0.000 0.573 618 P HA -0.041 nan 4.420 nan 0.000 0.221 618 P C -0.081 176.787 177.300 -0.721 0.000 1.155 618 P CA 0.803 63.324 63.100 -0.965 0.000 0.812 618 P CB 0.302 30.739 31.700 -2.105 0.000 0.801 619 F N -0.894 118.829 119.950 -0.379 0.000 2.432 619 F HA 0.257 4.784 4.527 -0.001 0.000 0.329 619 F C 1.741 177.327 175.800 -0.356 0.000 1.076 619 F CA -1.296 56.429 58.000 -0.457 0.000 1.018 619 F CB 1.113 39.663 39.000 -0.749 0.000 1.201 619 F HN -0.302 nan 8.300 nan 0.000 0.489 620 L N 2.332 123.489 121.223 -0.111 0.000 2.162 620 L HA 0.115 4.454 4.340 -0.001 0.000 0.205 620 L C -0.488 176.410 176.870 0.046 0.000 1.086 620 L CA 1.248 56.093 54.840 0.009 0.000 0.778 620 L CB -0.451 41.710 42.059 0.171 0.000 0.928 620 L HN 0.634 nan 8.230 nan 0.000 0.446 621 Y N -4.704 115.453 120.300 -0.237 0.000 2.713 621 Y HA 0.540 5.090 4.550 -0.001 0.000 0.335 621 Y C -1.449 174.154 175.900 -0.495 0.000 1.222 621 Y CA -2.446 55.497 58.100 -0.261 0.000 1.061 621 Y CB 0.015 38.436 38.460 -0.064 0.000 1.314 621 Y HN -0.182 nan 8.280 nan 0.000 0.453 622 F N 1.469 121.446 119.950 0.045 0.000 2.458 622 F HA 0.865 5.392 4.527 -0.001 0.000 0.330 622 F C 0.331 176.010 175.800 -0.202 0.000 1.082 622 F CA -0.726 57.117 58.000 -0.262 0.000 0.995 622 F CB 2.110 40.856 39.000 -0.423 0.000 1.170 622 F HN 0.812 nan 8.300 nan 0.000 0.478 623 A N 2.454 125.180 122.820 -0.156 0.000 2.324 623 A HA 0.781 5.100 4.320 -0.001 0.000 0.330 623 A C -1.760 175.566 177.584 -0.430 0.000 1.165 623 A CA -0.431 51.545 52.037 -0.101 0.000 0.813 623 A CB 0.498 19.544 19.000 0.077 0.000 1.197 623 A HN 0.729 nan 8.150 nan 0.000 0.484 624 Y N 0.002 120.204 120.300 -0.163 0.000 2.570 624 Y HA 0.723 5.272 4.550 -0.001 0.000 0.345 624 Y C 0.779 176.428 175.900 -0.419 0.000 1.014 624 Y CA 0.067 58.018 58.100 -0.249 0.000 1.063 624 Y CB 2.875 41.146 38.460 -0.314 0.000 1.272 624 Y HN 1.066 nan 8.280 nan 0.000 0.477 625 G N -0.204 108.570 108.800 -0.044 0.000 2.523 625 G HA2 0.690 4.650 3.960 -0.001 0.000 0.291 625 G HA3 0.690 4.650 3.960 -0.001 0.000 0.291 625 G C -2.225 172.690 174.900 0.026 0.000 1.450 625 G CA -0.303 44.818 45.100 0.034 0.000 0.790 625 G HN 0.871 nan 8.290 nan 0.000 0.496 626 A N -1.162 121.686 122.820 0.046 0.000 2.594 626 A HA 1.062 5.381 4.320 -0.001 0.000 0.295 626 A C -0.491 177.118 177.584 0.041 0.000 1.071 626 A CA 0.158 52.214 52.037 0.032 0.000 0.685 626 A CB 1.513 20.501 19.000 -0.020 0.000 1.285 626 A HN 2.498 nan 8.150 nan 0.000 0.405 627 A N 1.082 123.924 122.820 0.036 0.000 2.475 627 A HA 0.818 5.137 4.320 -0.001 0.000 0.301 627 A C -1.104 176.462 177.584 -0.029 0.000 1.059 627 A CA -0.420 51.621 52.037 0.007 0.000 0.710 627 A CB 1.012 20.047 19.000 0.059 0.000 1.288 627 A HN 0.851 nan 8.150 nan 0.000 0.408 628 I N 2.163 122.694 120.570 -0.066 0.000 2.411 628 I HA 0.352 4.521 4.170 -0.001 0.000 0.284 628 I C -0.474 175.628 176.117 -0.025 0.000 1.012 628 I CA -0.238 61.018 61.300 -0.074 0.000 1.119 628 I CB 1.806 39.721 38.000 -0.142 0.000 1.261 628 I HN 0.572 nan 8.210 nan 0.000 0.448 629 T N 4.855 119.422 114.554 0.023 0.000 2.888 629 T HA 0.403 4.752 4.350 -0.001 0.000 0.284 629 T C -0.458 174.254 174.700 0.019 0.000 1.017 629 T CA -0.618 61.499 62.100 0.027 0.000 1.022 629 T CB 2.391 71.318 68.868 0.097 0.000 1.013 629 T HN 0.627 nan 8.240 nan 0.000 0.465 630 E N 1.556 121.745 120.200 -0.018 0.000 2.248 630 E HA 0.639 4.988 4.350 -0.001 0.000 0.267 630 E C -1.188 175.365 176.600 -0.078 0.000 0.877 630 E CA -0.881 55.491 56.400 -0.045 0.000 0.759 630 E CB 1.418 31.082 29.700 -0.059 0.000 1.182 630 E HN 0.502 nan 8.360 nan 0.000 0.418 631 V N 0.580 120.434 119.914 -0.099 0.000 3.130 631 V HA 0.804 4.923 4.120 -0.001 0.000 0.310 631 V C -0.565 175.444 176.094 -0.141 0.000 1.158 631 V CA -0.858 61.375 62.300 -0.111 0.000 1.029 631 V CB 1.397 33.161 31.823 -0.098 0.000 1.057 631 V HN 0.525 nan 8.190 nan 0.000 0.436 632 V N 0.485 120.326 119.914 -0.122 0.000 2.769 632 V HA 0.824 4.943 4.120 -0.001 0.000 0.312 632 V C -0.319 175.737 176.094 -0.063 0.000 1.061 632 V CA -0.679 61.559 62.300 -0.103 0.000 0.931 632 V CB 1.452 33.220 31.823 -0.092 0.000 1.010 632 V HN 1.256 nan 8.190 nan 0.000 0.433 633 I N -1.009 119.541 120.570 -0.033 0.000 2.533 633 I HA 0.654 4.824 4.170 -0.001 0.000 0.290 633 I C -0.827 175.290 176.117 0.000 0.000 1.056 633 I CA -0.559 60.722 61.300 -0.031 0.000 1.057 633 I CB 1.952 39.917 38.000 -0.058 0.000 1.240 633 I HN 0.692 nan 8.210 nan 0.000 0.423 634 D N 4.790 125.186 120.400 -0.007 0.000 2.358 634 D HA 0.147 4.787 4.640 -0.001 0.000 0.258 634 D C 1.019 177.310 176.300 -0.015 0.000 1.223 634 D CA -0.126 53.872 54.000 -0.003 0.000 0.886 634 D CB 0.996 41.791 40.800 -0.009 0.000 1.120 634 D HN 0.499 nan 8.370 nan 0.000 0.482 635 R N 2.998 123.492 120.500 -0.011 0.000 2.237 635 R HA -0.038 4.302 4.340 -0.001 0.000 0.219 635 R C 1.235 177.521 176.300 -0.023 0.000 1.080 635 R CA 0.734 56.822 56.100 -0.020 0.000 0.995 635 R CB 0.054 30.344 30.300 -0.017 0.000 0.875 635 R HN 0.634 nan 8.270 nan 0.000 0.462 636 L N -1.243 119.969 121.223 -0.019 0.000 2.316 636 L HA 0.028 4.368 4.340 -0.001 0.000 0.207 636 L C 2.029 178.886 176.870 -0.021 0.000 1.070 636 L CA 1.240 56.069 54.840 -0.019 0.000 0.820 636 L CB -0.092 41.958 42.059 -0.016 0.000 0.992 636 L HN 0.186 nan 8.230 nan 0.000 0.466 637 T N -4.983 109.557 114.554 -0.022 0.000 3.003 637 T HA 0.334 4.683 4.350 -0.001 0.000 0.261 637 T C 1.335 176.017 174.700 -0.030 0.000 1.003 637 T CA 0.540 62.626 62.100 -0.024 0.000 0.917 637 T CB 1.152 70.007 68.868 -0.021 0.000 1.084 637 T HN 0.377 nan 8.240 nan 0.000 0.522 638 G N 1.384 110.163 108.800 -0.035 0.000 2.195 638 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.246 638 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.246 638 G C -0.148 174.723 174.900 -0.049 0.000 0.984 638 G CA 0.024 45.096 45.100 -0.046 0.000 0.633 638 G HN 0.666 nan 8.290 nan 0.000 0.525 639 E N 0.735 120.911 120.200 -0.040 0.000 2.436 639 E HA 0.419 4.769 4.350 -0.001 0.000 0.262 639 E C 0.460 177.034 176.600 -0.044 0.000 1.063 639 E CA 0.877 57.252 56.400 -0.040 0.000 0.944 639 E CB 0.270 29.952 29.700 -0.030 0.000 0.950 639 E HN 0.796 nan 8.360 nan 0.000 0.444 640 N N 0.538 119.208 118.700 -0.050 0.000 2.935 640 N HA 0.326 5.066 4.740 -0.001 0.000 0.248 640 N C -1.622 173.850 175.510 -0.063 0.000 1.276 640 N CA -0.965 52.049 53.050 -0.060 0.000 0.906 640 N CB 1.412 39.852 38.487 -0.077 0.000 1.564 640 N HN 0.282 nan 8.380 nan 0.000 0.500 641 R N 1.251 121.711 120.500 -0.068 0.000 2.651 641 R HA 0.480 4.820 4.340 -0.001 0.000 0.278 641 R C -1.233 175.019 176.300 -0.080 0.000 1.010 641 R CA -0.785 55.274 56.100 -0.068 0.000 0.896 641 R CB 1.382 31.649 30.300 -0.056 0.000 1.211 641 R HN 0.762 nan 8.270 nan 0.000 0.456 642 I N 6.529 127.050 120.570 -0.080 0.000 2.311 642 I HA 0.003 4.172 4.170 -0.001 0.000 0.297 642 I C 1.370 177.434 176.117 -0.089 0.000 1.131 642 I CA 0.030 61.280 61.300 -0.083 0.000 1.289 642 I CB 0.682 38.633 38.000 -0.082 0.000 1.446 642 I HN 0.588 nan 8.210 nan 0.000 0.524 643 L N 5.340 126.508 121.223 -0.091 0.000 2.072 643 L HA 0.066 4.405 4.340 -0.001 0.000 0.205 643 L C 1.217 178.038 176.870 -0.083 0.000 1.079 643 L CA 1.068 55.855 54.840 -0.089 0.000 0.752 643 L CB -0.202 41.789 42.059 -0.114 0.000 0.906 643 L HN 0.574 nan 8.230 nan 0.000 0.436 644 R N -1.128 119.320 120.500 -0.087 0.000 2.594 644 R HA 0.404 4.744 4.340 -0.001 0.000 0.265 644 R C -1.673 174.568 176.300 -0.099 0.000 1.070 644 R CA -0.380 55.672 56.100 -0.081 0.000 0.909 644 R CB 1.994 32.264 30.300 -0.049 0.000 1.243 644 R HN -0.218 nan 8.270 nan 0.000 0.455 645 T N 2.120 116.594 114.554 -0.133 0.000 2.886 645 T HA 0.376 4.725 4.350 -0.001 0.000 0.292 645 T C -1.636 173.016 174.700 -0.080 0.000 1.012 645 T CA -0.677 61.309 62.100 -0.191 0.000 0.982 645 T CB 1.720 70.266 68.868 -0.537 0.000 1.018 645 T HN 0.537 nan 8.240 nan 0.000 0.451 646 D N 1.667 122.019 120.400 -0.080 0.000 2.593 646 D HA 0.580 5.220 4.640 -0.001 0.000 0.251 646 D C -0.728 175.546 176.300 -0.043 0.000 1.140 646 D CA -0.315 53.669 54.000 -0.028 0.000 0.855 646 D CB 1.457 42.252 40.800 -0.008 0.000 1.267 646 D HN 0.356 nan 8.370 nan 0.000 0.532 647 I N 2.206 122.767 120.570 -0.015 0.000 2.474 647 I HA 0.444 4.614 4.170 -0.001 0.000 0.294 647 I C -1.233 174.913 176.117 0.049 0.000 1.005 647 I CA -1.075 60.226 61.300 0.001 0.000 1.113 647 I CB 1.801 39.794 38.000 -0.013 0.000 1.289 647 I HN 0.143 nan 8.210 nan 0.000 0.436 648 L N 6.563 127.833 121.223 0.079 0.000 2.415 648 L HA 0.488 4.827 4.340 -0.001 0.000 0.268 648 L C -1.229 175.738 176.870 0.160 0.000 0.984 648 L CA -0.120 54.795 54.840 0.126 0.000 0.853 648 L CB 0.905 43.037 42.059 0.121 0.000 1.215 648 L HN 0.527 nan 8.230 nan 0.000 0.419 649 H N 1.674 120.801 119.070 0.095 0.000 2.572 649 H HA 0.513 5.068 4.556 -0.001 0.000 0.359 649 H C -1.317 174.112 175.328 0.168 0.000 1.134 649 H CA -0.567 55.537 56.048 0.093 0.000 1.187 649 H CB 1.709 31.512 29.762 0.068 0.000 1.597 649 H HN 0.667 nan 8.280 nan 0.000 0.524 650 D N 2.841 123.035 120.400 -0.344 0.000 2.396 650 D HA 0.344 4.983 4.640 -0.001 0.000 0.225 650 D C -0.371 175.940 176.300 0.017 0.000 1.121 650 D CA -0.338 53.656 54.000 -0.010 0.000 0.853 650 D CB 0.785 41.556 40.800 -0.049 0.000 1.043 650 D HN 0.588 nan 8.370 nan 0.000 0.500 651 A N 3.581 126.496 122.820 0.158 0.000 2.545 651 A HA 0.638 4.958 4.320 -0.001 0.000 0.277 651 A C 1.317 178.966 177.584 0.107 0.000 1.301 651 A CA 0.172 52.302 52.037 0.155 0.000 0.935 651 A CB -0.684 18.412 19.000 0.158 0.000 1.093 651 A HN 0.957 nan 8.150 nan 0.000 0.519 652 G N 0.078 108.947 108.800 0.115 0.000 2.578 652 G HA2 0.088 4.047 3.960 -0.001 0.000 0.284 652 G HA3 0.088 4.047 3.960 -0.001 0.000 0.284 652 G C 0.619 175.544 174.900 0.043 0.000 1.283 652 G CA 0.046 45.187 45.100 0.068 0.000 0.944 652 G HN 1.851 nan 8.290 nan 0.000 0.558 653 A N -0.032 122.795 122.820 0.012 0.000 2.541 653 A HA 0.539 4.859 4.320 -0.001 0.000 0.293 653 A C 1.097 178.688 177.584 0.013 0.000 1.307 653 A CA 1.519 53.558 52.037 0.003 0.000 0.978 653 A CB -0.515 18.490 19.000 0.007 0.000 1.111 653 A HN 2.288 nan 8.150 nan 0.000 0.535 654 S N 2.706 118.413 115.700 0.012 0.000 2.537 654 S HA 0.167 4.637 4.470 -0.001 0.000 0.286 654 S C 1.305 175.902 174.600 -0.006 0.000 1.299 654 S CA -0.491 57.718 58.200 0.017 0.000 1.067 654 S CB -0.043 63.170 63.200 0.022 0.000 0.864 654 S HN 0.559 nan 8.310 nan 0.000 0.494 655 L N 3.144 124.367 121.223 -0.001 0.000 2.083 655 L HA 0.023 4.362 4.340 -0.001 0.000 0.209 655 L C 1.149 177.991 176.870 -0.047 0.000 1.083 655 L CA 0.819 55.642 54.840 -0.028 0.000 0.752 655 L CB -0.350 41.704 42.059 -0.009 0.000 0.899 655 L HN 0.684 nan 8.230 nan 0.000 0.433 656 N N -1.338 117.346 118.700 -0.026 0.000 2.699 656 N HA 0.139 4.878 4.740 -0.001 0.000 0.271 656 N C -2.372 173.132 175.510 -0.010 0.000 1.216 656 N CA -1.294 51.740 53.050 -0.027 0.000 0.844 656 N CB 1.626 40.094 38.487 -0.030 0.000 1.462 656 N HN -0.283 nan 8.380 nan 0.000 0.555 657 P HA -0.010 nan 4.420 nan 0.000 0.217 657 P C 1.130 178.429 177.300 -0.003 0.000 1.150 657 P CA 1.174 64.272 63.100 -0.002 0.000 0.832 657 P CB 0.340 32.034 31.700 -0.009 0.000 0.787 658 A N 0.371 123.186 122.820 -0.007 0.000 1.849 658 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 658 A C 2.265 179.853 177.584 0.006 0.000 1.202 658 A CA 1.895 53.929 52.037 -0.004 0.000 0.629 658 A CB -1.788 17.211 19.000 -0.001 0.000 0.834 658 A HN 0.113 nan 8.150 nan 0.000 0.447 659 L N -0.704 120.527 121.223 0.014 0.000 2.127 659 L HA -0.219 4.121 4.340 -0.001 0.000 0.211 659 L C 1.926 178.811 176.870 0.024 0.000 1.089 659 L CA 1.512 56.369 54.840 0.030 0.000 0.757 659 L CB -0.734 41.341 42.059 0.027 0.000 0.899 659 L HN 0.340 nan 8.230 nan 0.000 0.434 660 D N -0.228 120.182 120.400 0.017 0.000 2.194 660 D HA -0.081 4.558 4.640 -0.001 0.000 0.204 660 D C 2.280 178.586 176.300 0.010 0.000 0.964 660 D CA 0.769 54.783 54.000 0.024 0.000 0.846 660 D CB 0.121 40.945 40.800 0.040 0.000 0.962 660 D HN 0.157 nan 8.370 nan 0.000 0.490 661 I N 0.747 121.313 120.570 -0.007 0.000 2.252 661 I HA -0.099 4.071 4.170 -0.001 0.000 0.245 661 I C 2.472 178.552 176.117 -0.062 0.000 1.102 661 I CA 1.114 62.388 61.300 -0.043 0.000 1.385 661 I CB -1.443 36.521 38.000 -0.060 0.000 1.064 661 I HN -0.003 nan 8.210 nan 0.000 0.414 662 G N 0.504 109.286 108.800 -0.031 0.000 2.440 662 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.218 662 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.218 662 G C 1.566 176.473 174.900 0.011 0.000 1.154 662 G CA 0.326 45.417 45.100 -0.015 0.000 0.767 662 G HN 0.322 nan 8.290 nan 0.000 0.552 663 Q N 0.213 120.025 119.800 0.021 0.000 2.061 663 Q HA -0.052 4.287 4.340 -0.001 0.000 0.204 663 Q C 2.757 178.769 176.000 0.019 0.000 0.984 663 Q CA 1.090 56.914 55.803 0.034 0.000 0.846 663 Q CB -0.363 28.387 28.738 0.021 0.000 0.902 663 Q HN 0.593 nan 8.270 nan 0.000 0.421 664 I N 0.719 121.272 120.570 -0.029 0.000 2.315 664 I HA -0.237 3.933 4.170 -0.001 0.000 0.248 664 I C 2.233 178.365 176.117 0.025 0.000 1.117 664 I CA 0.985 62.253 61.300 -0.054 0.000 1.404 664 I CB -0.205 37.739 38.000 -0.093 0.000 1.071 664 I HN 0.219 nan 8.210 nan 0.000 0.419 665 E N 0.663 120.832 120.200 -0.050 0.000 2.051 665 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 665 E C 2.308 179.041 176.600 0.221 0.000 0.991 665 E CA 1.367 57.705 56.400 -0.102 0.000 0.799 665 E CB -0.314 29.180 29.700 -0.344 0.000 0.748 665 E HN 0.591 nan 8.360 nan 0.000 0.449 666 G N 0.507 109.391 108.800 0.141 0.000 2.494 666 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.216 666 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.216 666 G C 1.605 176.613 174.900 0.180 0.000 1.140 666 G CA 0.562 45.764 45.100 0.170 0.000 0.801 666 G HN 0.300 nan 8.290 nan 0.000 0.536 667 A N 0.236 123.159 122.820 0.173 0.000 1.930 667 A HA 0.013 4.332 4.320 -0.001 0.000 0.217 667 A C 2.121 179.762 177.584 0.095 0.000 1.175 667 A CA 1.548 53.689 52.037 0.172 0.000 0.627 667 A CB -0.629 18.445 19.000 0.123 0.000 0.815 667 A HN 0.446 nan 8.150 nan 0.000 0.443 668 Y N 0.765 121.081 120.300 0.026 0.000 2.114 668 Y HA -0.181 4.369 4.550 -0.001 0.000 0.284 668 Y C 2.266 178.125 175.900 -0.068 0.000 1.143 668 Y CA 2.067 60.158 58.100 -0.015 0.000 1.135 668 Y CB -0.425 38.110 38.460 0.125 0.000 0.980 668 Y HN 0.047 nan 8.280 nan 0.000 0.499 669 V N 0.886 120.823 119.914 0.038 0.000 2.469 669 V HA -0.347 3.772 4.120 -0.001 0.000 0.251 669 V C 2.377 178.356 176.094 -0.193 0.000 1.064 669 V CA 2.292 64.530 62.300 -0.103 0.000 1.066 669 V CB -0.842 31.031 31.823 0.084 0.000 0.667 669 V HN 0.507 nan 8.190 nan 0.000 0.461 670 Q N 0.016 119.741 119.800 -0.123 0.000 2.079 670 Q HA -0.100 4.239 4.340 -0.001 0.000 0.200 670 Q C 2.281 178.101 176.000 -0.300 0.000 0.974 670 Q CA 1.817 57.570 55.803 -0.085 0.000 0.840 670 Q CB -0.451 28.366 28.738 0.131 0.000 0.898 670 Q HN 0.634 nan 8.270 nan 0.000 0.430 671 G N 0.382 108.719 108.800 -0.772 0.000 2.453 671 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.215 671 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.215 671 G C 1.468 176.058 174.900 -0.516 0.000 1.201 671 G CA 1.031 45.387 45.100 -1.240 0.000 0.784 671 G HN 0.505 nan 8.290 nan 0.000 0.545 672 A N 0.955 123.420 122.820 -0.592 0.000 1.903 672 A HA 0.007 4.326 4.320 -0.001 0.000 0.219 672 A C 2.766 180.191 177.584 -0.264 0.000 1.191 672 A CA 2.515 54.279 52.037 -0.455 0.000 0.638 672 A CB -1.367 17.245 19.000 -0.645 0.000 0.823 672 A HN 0.763 nan 8.150 nan 0.000 0.451 673 G N -1.824 106.836 108.800 -0.233 0.000 2.475 673 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.220 673 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.220 673 G C 1.333 176.190 174.900 -0.073 0.000 1.125 673 G CA 1.263 46.273 45.100 -0.151 0.000 0.755 673 G HN 0.783 nan 8.290 nan 0.000 0.565 674 W N 0.943 122.099 121.300 -0.239 0.000 2.402 674 W HA 0.126 4.786 4.660 -0.001 0.000 0.286 674 W C 1.670 178.103 176.519 -0.142 0.000 1.221 674 W CA 0.807 58.045 57.345 -0.179 0.000 1.257 674 W CB -0.141 29.228 29.460 -0.152 0.000 1.120 674 W HN 0.112 nan 8.180 nan 0.000 0.551 675 L N 0.817 121.845 121.223 -0.325 0.000 2.667 675 L HA 0.174 4.514 4.340 -0.001 0.000 0.232 675 L C 1.728 178.527 176.870 -0.118 0.000 1.138 675 L CA 0.851 55.441 54.840 -0.417 0.000 0.921 675 L CB -0.668 41.142 42.059 -0.415 0.000 1.180 675 L HN 0.068 nan 8.230 nan 0.000 0.487 676 T N -5.584 108.892 114.554 -0.130 0.000 3.364 676 T HA -0.048 4.301 4.350 -0.001 0.000 0.179 676 T C 1.519 176.147 174.700 -0.119 0.000 0.939 676 T CA 0.754 62.795 62.100 -0.099 0.000 1.094 676 T CB -0.147 68.653 68.868 -0.113 0.000 1.532 676 T HN 0.016 nan 8.240 nan 0.000 0.346 677 T N -0.187 114.276 114.554 -0.153 0.000 3.065 677 T HA 0.262 4.611 4.350 -0.001 0.000 0.252 677 T C 0.446 174.995 174.700 -0.252 0.000 1.099 677 T CA -0.057 61.936 62.100 -0.179 0.000 1.063 677 T CB -0.507 68.251 68.868 -0.185 0.000 0.948 677 T HN 0.496 nan 8.240 nan 0.000 0.506 678 E N 1.879 121.920 120.200 -0.265 0.000 2.129 678 E HA 0.330 4.680 4.350 -0.001 0.000 0.283 678 E C -0.520 175.996 176.600 -0.140 0.000 1.080 678 E CA -0.138 56.030 56.400 -0.387 0.000 0.867 678 E CB 0.699 30.248 29.700 -0.253 0.000 1.056 678 E HN 0.570 nan 8.360 nan 0.000 0.404 679 E N 4.404 124.544 120.200 -0.099 0.000 2.278 679 E HA 0.259 4.608 4.350 -0.001 0.000 0.272 679 E C -1.448 175.233 176.600 0.135 0.000 0.890 679 E CA -0.567 55.865 56.400 0.053 0.000 0.770 679 E CB 1.010 30.701 29.700 -0.014 0.000 1.212 679 E HN 0.371 nan 8.360 nan 0.000 0.415 680 L N 4.252 125.515 121.223 0.066 0.000 2.275 680 L HA 0.556 4.896 4.340 -0.001 0.000 0.288 680 L C -0.925 175.760 176.870 -0.308 0.000 1.046 680 L CA -0.928 53.789 54.840 -0.206 0.000 0.805 680 L CB 1.544 43.399 42.059 -0.341 0.000 1.193 680 L HN 0.386 nan 8.230 nan 0.000 0.426 681 V N 2.068 121.713 119.914 -0.449 0.000 2.569 681 V HA 0.413 4.532 4.120 -0.001 0.000 0.301 681 V C -0.839 175.098 176.094 -0.261 0.000 1.044 681 V CA -0.714 61.467 62.300 -0.199 0.000 0.874 681 V CB 1.752 33.542 31.823 -0.054 0.000 1.002 681 V HN 0.628 nan 8.190 nan 0.000 0.424 682 W N 2.674 124.006 121.300 0.053 0.000 2.573 682 W HA 0.420 5.079 4.660 -0.001 0.000 0.326 682 W C 0.023 176.557 176.519 0.024 0.000 1.049 682 W CA -0.680 56.685 57.345 0.034 0.000 1.220 682 W CB 2.147 31.621 29.460 0.024 0.000 1.373 682 W HN 0.787 nan 8.180 nan 0.000 0.507 683 D N 0.644 121.163 120.400 0.199 0.000 2.369 683 D HA -0.156 4.484 4.640 -0.001 0.000 0.241 683 D C 1.671 177.994 176.300 0.038 0.000 1.271 683 D CA 0.370 54.427 54.000 0.095 0.000 0.942 683 D CB 0.264 41.052 40.800 -0.021 0.000 1.129 683 D HN 0.515 nan 8.370 nan 0.000 0.476 684 H N -0.668 118.451 119.070 0.082 0.000 2.557 684 H HA -0.068 4.487 4.556 -0.001 0.000 0.287 684 H C 0.595 175.941 175.328 0.031 0.000 1.043 684 H CA 0.479 56.558 56.048 0.051 0.000 1.226 684 H CB -0.771 29.012 29.762 0.034 0.000 1.361 684 H HN 0.278 nan 8.280 nan 0.000 0.592 685 C N 1.025 120.100 119.300 -0.376 0.000 2.780 685 C HA 0.406 4.866 4.460 -0.001 0.000 0.287 685 C C 1.690 176.621 174.990 -0.098 0.000 1.288 685 C CA 0.220 59.115 59.018 -0.205 0.000 1.713 685 C CB -0.743 26.833 27.740 -0.274 0.000 1.955 685 C HN 0.870 nan 8.230 nan 0.000 0.613 686 G N 2.089 110.869 108.800 -0.033 0.000 2.249 686 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.273 686 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.273 686 G C -0.084 174.913 174.900 0.161 0.000 1.036 686 G CA -0.212 44.909 45.100 0.034 0.000 0.824 686 G HN 0.676 nan 8.290 nan 0.000 0.504 687 R N -0.625 119.948 120.500 0.122 0.000 2.221 687 R HA 0.416 4.755 4.340 -0.001 0.000 0.327 687 R C 0.388 176.798 176.300 0.183 0.000 1.033 687 R CA -1.001 55.162 56.100 0.105 0.000 0.887 687 R CB 1.185 31.474 30.300 -0.019 0.000 1.057 687 R HN 0.202 nan 8.270 nan 0.000 0.455 688 L N 4.209 125.532 121.223 0.167 0.000 2.615 688 L HA -0.069 4.271 4.340 -0.001 0.000 0.271 688 L C 0.897 177.755 176.870 -0.019 0.000 1.183 688 L CA 0.793 55.568 54.840 -0.109 0.000 0.933 688 L CB 0.491 42.477 42.059 -0.123 0.000 1.199 688 L HN 0.696 nan 8.230 nan 0.000 0.487 689 M N 1.988 121.563 119.600 -0.041 0.000 2.486 689 M HA 0.087 4.566 4.480 -0.001 0.000 0.264 689 M C 0.933 177.281 176.300 0.079 0.000 1.125 689 M CA 0.601 55.947 55.300 0.077 0.000 1.144 689 M CB -1.041 31.579 32.600 0.034 0.000 1.353 689 M HN 0.692 nan 8.290 nan 0.000 0.466 690 T N -0.050 114.480 114.554 -0.040 0.000 3.162 690 T HA 0.250 4.599 4.350 -0.001 0.000 0.316 690 T C 0.384 175.072 174.700 -0.021 0.000 1.182 690 T CA -0.504 61.571 62.100 -0.042 0.000 1.015 690 T CB -0.752 68.100 68.868 -0.027 0.000 1.089 690 T HN 0.479 nan 8.240 nan 0.000 0.646 691 H N 0.829 119.872 119.070 -0.044 0.000 2.665 691 H HA 0.661 5.217 4.556 -0.001 0.000 0.248 691 H C -0.396 174.958 175.328 0.043 0.000 1.175 691 H CA -0.760 55.272 56.048 -0.027 0.000 0.952 691 H CB -0.223 29.520 29.762 -0.032 0.000 1.883 691 H HN 0.685 nan 8.280 nan 0.000 0.623 692 A N 1.175 123.933 122.820 -0.102 0.000 2.612 692 A HA 0.495 4.814 4.320 -0.001 0.000 0.293 692 A C -2.376 175.258 177.584 0.083 0.000 1.075 692 A CA -1.402 50.633 52.037 -0.003 0.000 0.680 692 A CB 1.610 20.527 19.000 -0.138 0.000 1.279 692 A HN -0.026 nan 8.150 nan 0.000 0.411 693 P HA -0.137 nan 4.420 nan 0.000 0.218 693 P C 1.566 178.842 177.300 -0.040 0.000 1.148 693 P CA 2.312 65.432 63.100 0.034 0.000 0.822 693 P CB 0.054 31.866 31.700 0.187 0.000 0.784 694 S N -1.220 114.470 115.700 -0.016 0.000 2.419 694 S HA -0.138 4.331 4.470 -0.001 0.000 0.233 694 S C 1.745 176.310 174.600 -0.058 0.000 1.016 694 S CA 1.921 60.097 58.200 -0.040 0.000 0.974 694 S CB -1.861 61.319 63.200 -0.033 0.000 0.786 694 S HN 0.331 nan 8.310 nan 0.000 0.492 695 T N -3.400 111.119 114.554 -0.058 0.000 2.990 695 T HA 0.259 4.609 4.350 -0.001 0.000 0.250 695 T C -0.017 174.678 174.700 -0.009 0.000 1.041 695 T CA -0.348 61.722 62.100 -0.050 0.000 1.010 695 T CB -0.330 68.495 68.868 -0.071 0.000 1.003 695 T HN 0.390 nan 8.240 nan 0.000 0.499 696 Y N 1.722 121.929 120.300 -0.156 0.000 2.328 696 Y HA 0.631 5.180 4.550 -0.001 0.000 0.337 696 Y C -1.136 174.602 175.900 -0.270 0.000 0.966 696 Y CA -1.426 56.562 58.100 -0.187 0.000 1.136 696 Y CB 1.262 39.625 38.460 -0.162 0.000 1.170 696 Y HN -0.219 nan 8.280 nan 0.000 0.470 697 K N 7.767 127.761 120.400 -0.677 0.000 2.464 697 K HA 0.353 4.672 4.320 -0.001 0.000 0.252 697 K C -0.736 175.535 176.600 -0.547 0.000 1.000 697 K CA -0.363 55.636 56.287 -0.481 0.000 0.951 697 K CB 0.223 32.535 32.500 -0.313 0.000 1.183 697 K HN 0.713 nan 8.250 nan 0.000 0.445 698 I N -1.079 119.212 120.570 -0.465 0.000 2.797 698 I HA 0.589 4.759 4.170 -0.001 0.000 0.310 698 I C -1.843 174.149 176.117 -0.208 0.000 0.990 698 I CA -2.702 58.404 61.300 -0.324 0.000 1.228 698 I CB 0.844 38.695 38.000 -0.249 0.000 1.406 698 I HN 0.259 nan 8.210 nan 0.000 0.534 699 P HA 0.039 nan 4.420 nan 0.000 0.256 699 P C -0.493 176.763 177.300 -0.072 0.000 1.173 699 P CA 0.311 63.343 63.100 -0.113 0.000 0.768 699 P CB 0.200 31.837 31.700 -0.104 0.000 0.758 700 A N 3.503 126.294 122.820 -0.049 0.000 2.286 700 A HA 0.280 4.599 4.320 -0.001 0.000 0.286 700 A C 1.150 178.779 177.584 0.075 0.000 1.097 700 A CA -0.500 51.549 52.037 0.019 0.000 0.821 700 A CB -0.187 18.826 19.000 0.020 0.000 1.076 700 A HN 0.530 nan 8.150 nan 0.000 0.490 701 F N 1.738 121.686 119.950 -0.003 0.000 2.053 701 F HA -0.347 4.179 4.527 -0.001 0.000 0.295 701 F C 2.613 178.417 175.800 0.008 0.000 1.102 701 F CA 3.124 61.133 58.000 0.014 0.000 1.225 701 F CB -0.062 38.948 39.000 0.017 0.000 0.961 701 F HN 0.558 nan 8.300 nan 0.000 0.495 702 S N -1.128 114.778 115.700 0.344 0.000 2.727 702 S HA -0.063 4.407 4.470 -0.001 0.000 0.226 702 S C 1.029 175.676 174.600 0.080 0.000 0.963 702 S CA 0.781 59.111 58.200 0.217 0.000 0.950 702 S CB -0.420 62.860 63.200 0.133 0.000 0.779 702 S HN 0.423 nan 8.310 nan 0.000 0.532 703 D N 2.015 122.434 120.400 0.031 0.000 2.346 703 D HA 0.052 4.691 4.640 -0.001 0.000 0.206 703 D C 0.874 177.132 176.300 -0.070 0.000 1.001 703 D CA 0.108 54.088 54.000 -0.033 0.000 0.871 703 D CB -0.026 40.739 40.800 -0.058 0.000 0.943 703 D HN 0.677 nan 8.370 nan 0.000 0.518 704 R N 1.586 122.041 120.500 -0.074 0.000 2.678 704 R HA 0.144 4.484 4.340 -0.001 0.000 0.264 704 R C -2.495 173.709 176.300 -0.159 0.000 0.995 704 R CA -0.890 55.140 56.100 -0.116 0.000 1.098 704 R CB -1.001 29.260 30.300 -0.065 0.000 0.949 704 R HN -0.159 nan 8.270 nan 0.000 0.422 705 P HA -0.017 nan 4.420 nan 0.000 0.263 705 P C 0.169 177.389 177.300 -0.132 0.000 1.195 705 P CA -0.126 62.798 63.100 -0.293 0.000 0.762 705 P CB 0.587 31.950 31.700 -0.561 0.000 0.799 706 R N 2.686 123.146 120.500 -0.066 0.000 2.133 706 R HA -0.091 4.249 4.340 -0.001 0.000 0.247 706 R C 0.759 177.070 176.300 0.018 0.000 1.151 706 R CA 1.397 57.493 56.100 -0.008 0.000 0.971 706 R CB -0.474 29.817 30.300 -0.015 0.000 0.866 706 R HN 0.528 nan 8.270 nan 0.000 0.447 707 I N -0.080 120.489 120.570 -0.001 0.000 2.406 707 I HA 0.239 4.408 4.170 -0.001 0.000 0.290 707 I C -0.634 175.530 176.117 0.078 0.000 0.999 707 I CA -0.422 60.904 61.300 0.044 0.000 1.124 707 I CB 1.806 39.821 38.000 0.024 0.000 1.289 707 I HN -0.111 nan 8.210 nan 0.000 0.441 708 F N 6.288 126.212 119.950 -0.044 0.000 2.686 708 F HA 0.391 4.917 4.527 -0.001 0.000 0.365 708 F C -0.400 175.358 175.800 -0.070 0.000 1.196 708 F CA -0.973 56.982 58.000 -0.074 0.000 1.198 708 F CB 0.699 39.664 39.000 -0.058 0.000 1.454 708 F HN 0.470 nan 8.300 nan 0.000 0.539 709 N N 4.666 123.485 118.700 0.198 0.000 2.558 709 N HA 0.226 4.965 4.740 -0.001 0.000 0.233 709 N C -0.785 174.731 175.510 0.011 0.000 1.038 709 N CA -0.089 52.995 53.050 0.057 0.000 0.934 709 N CB 1.915 40.427 38.487 0.043 0.000 1.175 709 N HN 0.132 nan 8.380 nan 0.000 0.512 710 V N 1.071 120.940 119.914 -0.075 0.000 2.347 710 V HA 0.770 4.889 4.120 -0.001 0.000 0.280 710 V C 0.185 176.257 176.094 -0.036 0.000 1.021 710 V CA -0.851 61.395 62.300 -0.090 0.000 0.847 710 V CB 0.941 32.627 31.823 -0.229 0.000 0.990 710 V HN 0.655 nan 8.190 nan 0.000 0.444 711 A N 5.439 128.270 122.820 0.017 0.000 2.435 711 A HA 0.895 5.214 4.320 -0.001 0.000 0.304 711 A C -0.990 176.653 177.584 0.098 0.000 1.064 711 A CA -0.691 51.373 52.037 0.044 0.000 0.727 711 A CB 1.428 20.456 19.000 0.048 0.000 1.284 711 A HN 0.755 nan 8.150 nan 0.000 0.415 712 L N 1.882 123.162 121.223 0.094 0.000 2.312 712 L HA 0.276 4.616 4.340 -0.001 0.000 0.281 712 L C -0.081 176.896 176.870 0.178 0.000 1.070 712 L CA -0.452 54.473 54.840 0.141 0.000 0.805 712 L CB 1.134 43.246 42.059 0.089 0.000 1.174 712 L HN 0.806 nan 8.230 nan 0.000 0.434 713 W N 4.614 125.922 121.300 0.014 0.000 2.485 713 W HA 0.074 4.734 4.660 -0.001 0.000 0.315 713 W C -0.677 175.840 176.519 -0.005 0.000 1.304 713 W CA -0.149 57.194 57.345 -0.004 0.000 1.345 713 W CB 1.050 30.498 29.460 -0.020 0.000 1.368 713 W HN 0.510 nan 8.180 nan 0.000 0.497 714 D N 5.081 125.272 120.400 -0.348 0.000 2.493 714 D HA 0.129 4.769 4.640 -0.001 0.000 0.235 714 D C -0.781 175.310 176.300 -0.349 0.000 1.117 714 D CA 0.172 54.025 54.000 -0.246 0.000 0.930 714 D CB 0.534 41.240 40.800 -0.156 0.000 1.010 714 D HN 0.441 nan 8.370 nan 0.000 0.514 715 Q N 3.076 122.732 119.800 -0.239 0.000 2.289 715 Q HA 0.482 4.821 4.340 -0.001 0.000 0.270 715 Q C -2.773 173.224 176.000 -0.006 0.000 1.038 715 Q CA -2.096 53.617 55.803 -0.149 0.000 0.812 715 Q CB 2.340 31.002 28.738 -0.128 0.000 1.300 715 Q HN 0.114 nan 8.270 nan 0.000 0.427 716 P HA 0.078 nan 4.420 nan 0.000 0.274 716 P C -0.904 176.396 177.300 -0.001 0.000 1.237 716 P CA -0.471 62.625 63.100 -0.006 0.000 0.793 716 P CB 0.583 32.275 31.700 -0.013 0.000 0.977 717 N N 1.727 120.399 118.700 -0.047 0.000 2.458 717 N HA -0.020 4.720 4.740 -0.001 0.000 0.258 717 N C 1.202 176.673 175.510 -0.066 0.000 1.219 717 N CA 0.356 53.343 53.050 -0.106 0.000 0.902 717 N CB 0.440 38.765 38.487 -0.271 0.000 1.076 717 N HN 0.249 nan 8.380 nan 0.000 0.455 718 R N 1.336 121.816 120.500 -0.033 0.000 2.073 718 R HA -0.039 4.301 4.340 -0.001 0.000 0.234 718 R C 0.152 176.440 176.300 -0.020 0.000 1.134 718 R CA 0.906 57.005 56.100 -0.003 0.000 0.952 718 R CB -0.031 30.291 30.300 0.035 0.000 0.850 718 R HN 0.642 nan 8.270 nan 0.000 0.433 719 E N 1.455 121.627 120.200 -0.045 0.000 2.374 719 E HA 0.009 4.359 4.350 -0.001 0.000 0.260 719 E C -0.376 176.187 176.600 -0.062 0.000 1.101 719 E CA 0.116 56.497 56.400 -0.031 0.000 0.907 719 E CB 0.522 30.223 29.700 0.001 0.000 1.014 719 E HN 0.204 nan 8.360 nan 0.000 0.427 720 E N 1.531 121.715 120.200 -0.025 0.000 1.972 720 E HA 0.065 4.415 4.350 -0.001 0.000 0.292 720 E C -0.053 176.511 176.600 -0.060 0.000 1.193 720 E CA -0.135 56.241 56.400 -0.040 0.000 1.228 720 E CB -0.133 29.560 29.700 -0.011 0.000 1.167 720 E HN 0.372 nan 8.360 nan 0.000 0.479 721 T N -1.413 113.072 114.554 -0.115 0.000 2.927 721 T HA 0.325 4.674 4.350 -0.001 0.000 0.281 721 T C 0.410 174.996 174.700 -0.189 0.000 0.998 721 T CA -0.998 61.013 62.100 -0.148 0.000 1.019 721 T CB 1.257 70.015 68.868 -0.183 0.000 1.061 721 T HN 0.159 nan 8.240 nan 0.000 0.518 722 I N 2.254 122.691 120.570 -0.222 0.000 2.845 722 I HA 0.120 4.290 4.170 -0.001 0.000 0.290 722 I C 0.131 176.197 176.117 -0.085 0.000 1.202 722 I CA -0.452 60.701 61.300 -0.245 0.000 1.406 722 I CB -1.416 36.468 38.000 -0.194 0.000 1.383 722 I HN 0.760 nan 8.210 nan 0.000 0.549 723 F N 6.860 126.753 119.950 -0.095 0.000 3.021 723 F HA -0.344 4.182 4.527 -0.001 0.000 0.256 723 F C 1.175 176.930 175.800 -0.076 0.000 0.976 723 F CA 0.790 58.745 58.000 -0.075 0.000 0.861 723 F CB -1.094 37.866 39.000 -0.067 0.000 0.778 723 F HN 0.652 nan 8.300 nan 0.000 0.765 724 R N -2.335 118.167 120.500 0.004 0.000 3.953 724 R HA -0.215 4.125 4.340 -0.001 0.000 0.340 724 R C 0.657 176.930 176.300 -0.045 0.000 1.195 724 R CA 0.955 57.031 56.100 -0.039 0.000 0.929 724 R CB -2.624 27.669 30.300 -0.012 0.000 1.402 724 R HN 0.631 nan 8.270 nan 0.000 0.540 725 S N -0.240 115.448 115.700 -0.021 0.000 2.608 725 S HA 0.521 4.990 4.470 -0.001 0.000 0.261 725 S C 0.300 174.860 174.600 -0.067 0.000 1.314 725 S CA -0.472 57.721 58.200 -0.011 0.000 0.992 725 S CB 2.010 65.225 63.200 0.025 0.000 0.935 725 S HN 0.204 nan 8.310 nan 0.000 0.564 726 K N 0.221 120.624 120.400 0.004 0.000 2.316 726 K HA 0.611 4.931 4.320 -0.001 0.000 0.251 726 K C -0.393 176.296 176.600 0.149 0.000 0.934 726 K CA -0.752 55.580 56.287 0.075 0.000 0.802 726 K CB 1.975 34.554 32.500 0.131 0.000 1.171 726 K HN 0.830 nan 8.250 nan 0.000 0.426 727 A N 1.678 124.638 122.820 0.233 0.000 2.540 727 A HA 0.095 4.415 4.320 -0.001 0.000 0.239 727 A C 0.539 178.199 177.584 0.127 0.000 1.061 727 A CA 0.044 52.166 52.037 0.142 0.000 0.758 727 A CB 0.425 19.491 19.000 0.111 0.000 0.991 727 A HN 0.550 nan 8.150 nan 0.000 0.502 728 V N 2.678 122.637 119.914 0.074 0.000 3.392 728 V HA 0.206 4.326 4.120 -0.001 0.000 0.294 728 V C 1.660 177.750 176.094 -0.008 0.000 1.561 728 V CA 1.022 63.371 62.300 0.082 0.000 1.056 728 V CB 0.072 31.954 31.823 0.100 0.000 0.882 728 V HN 1.107 nan 8.190 nan 0.000 0.440 729 G N 0.211 108.990 108.800 -0.034 0.000 2.404 729 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.215 729 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.215 729 G C 1.191 176.033 174.900 -0.096 0.000 1.174 729 G CA 1.381 46.449 45.100 -0.053 0.000 0.780 729 G HN 0.587 nan 8.290 nan 0.000 0.537 730 E N 0.176 120.242 120.200 -0.224 0.000 2.206 730 E HA 0.037 4.386 4.350 -0.001 0.000 0.195 730 E C -0.318 175.947 176.600 -0.558 0.000 0.935 730 E CA -0.090 56.074 56.400 -0.395 0.000 0.875 730 E CB 0.005 29.366 29.700 -0.564 0.000 0.841 730 E HN 0.224 nan 8.360 nan 0.000 0.477 731 P HA -0.197 nan 4.420 nan 0.000 0.217 731 P C -1.596 175.592 177.300 -0.186 0.000 1.158 731 P CA 2.268 65.085 63.100 -0.471 0.000 0.887 731 P CB -1.003 30.690 31.700 -0.011 0.000 0.792 732 P HA -0.183 nan 4.420 nan 0.000 0.222 732 P C 1.545 178.833 177.300 -0.019 0.000 1.147 732 P CA 1.022 63.964 63.100 -0.264 0.000 0.790 732 P CB -0.606 30.847 31.700 -0.411 0.000 0.780 733 F N 1.289 121.153 119.950 -0.143 0.000 2.147 733 F HA -0.228 4.299 4.527 -0.001 0.000 0.301 733 F C 1.737 177.511 175.800 -0.042 0.000 1.084 733 F CA 1.430 59.377 58.000 -0.088 0.000 1.268 733 F CB -0.755 38.164 39.000 -0.135 0.000 1.009 733 F HN -0.255 nan 8.300 nan 0.000 0.486 734 L N 0.195 121.519 121.223 0.167 0.000 2.362 734 L HA -0.149 4.191 4.340 -0.001 0.000 0.219 734 L C 2.085 179.012 176.870 0.094 0.000 1.134 734 L CA 0.961 55.898 54.840 0.161 0.000 0.807 734 L CB -0.949 41.219 42.059 0.182 0.000 0.927 734 L HN 0.228 nan 8.230 nan 0.000 0.447 735 L N -0.633 120.647 121.223 0.095 0.000 2.127 735 L HA -0.168 4.171 4.340 -0.001 0.000 0.211 735 L C 2.466 179.462 176.870 0.210 0.000 1.089 735 L CA 1.244 56.200 54.840 0.193 0.000 0.757 735 L CB -1.136 41.090 42.059 0.279 0.000 0.899 735 L HN 0.436 nan 8.230 nan 0.000 0.434 736 G N -0.061 108.693 108.800 -0.076 0.000 2.535 736 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.218 736 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.218 736 G C 1.559 176.388 174.900 -0.119 0.000 1.122 736 G CA 0.272 45.148 45.100 -0.374 0.000 0.769 736 G HN 0.313 nan 8.290 nan 0.000 0.549 737 I N 1.813 122.388 120.570 0.009 0.000 2.208 737 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 737 I C 3.186 179.384 176.117 0.136 0.000 1.097 737 I CA 1.554 62.902 61.300 0.080 0.000 1.363 737 I CB -0.187 37.883 38.000 0.117 0.000 1.051 737 I HN 0.354 nan 8.210 nan 0.000 0.413 738 S N 1.303 117.090 115.700 0.145 0.000 2.374 738 S HA -0.282 4.188 4.470 -0.001 0.000 0.227 738 S C 2.238 176.910 174.600 0.119 0.000 1.037 738 S CA 1.157 59.444 58.200 0.145 0.000 1.024 738 S CB -0.829 62.460 63.200 0.148 0.000 0.861 738 S HN 0.448 nan 8.310 nan 0.000 0.456 739 A N 1.591 124.475 122.820 0.107 0.000 1.865 739 A HA -0.015 4.304 4.320 -0.001 0.000 0.217 739 A C 2.017 179.613 177.584 0.021 0.000 1.191 739 A CA 1.714 53.775 52.037 0.039 0.000 0.623 739 A CB -1.373 17.601 19.000 -0.043 0.000 0.826 739 A HN 0.600 nan 8.150 nan 0.000 0.444 740 F N 0.065 119.953 119.950 -0.103 0.000 2.091 740 F HA -0.205 4.321 4.527 -0.001 0.000 0.299 740 F C 1.875 177.640 175.800 -0.058 0.000 1.103 740 F CA 1.822 59.753 58.000 -0.116 0.000 1.228 740 F CB -0.292 38.608 39.000 -0.167 0.000 0.984 740 F HN 0.152 nan 8.300 nan 0.000 0.477 741 L N 0.440 121.724 121.223 0.102 0.000 2.042 741 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 741 L C 2.738 179.615 176.870 0.010 0.000 1.076 741 L CA 1.969 56.845 54.840 0.059 0.000 0.749 741 L CB -1.741 40.403 42.059 0.142 0.000 0.893 741 L HN 0.249 nan 8.230 nan 0.000 0.432 742 A N -1.147 121.670 122.820 -0.004 0.000 1.877 742 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 742 A C 2.206 179.721 177.584 -0.115 0.000 1.186 742 A CA 1.531 53.550 52.037 -0.030 0.000 0.620 742 A CB -0.788 18.206 19.000 -0.010 0.000 0.822 742 A HN 0.295 nan 8.150 nan 0.000 0.443 743 L N -0.331 120.788 121.223 -0.175 0.000 1.971 743 L HA -0.243 4.096 4.340 -0.001 0.000 0.215 743 L C 2.467 179.156 176.870 -0.302 0.000 1.072 743 L CA 2.699 57.388 54.840 -0.251 0.000 0.758 743 L CB -1.446 40.419 42.059 -0.325 0.000 0.889 743 L HN 0.761 nan 8.230 nan 0.000 0.433 744 H N -1.079 117.700 119.070 -0.485 0.000 2.390 744 H HA -0.226 4.330 4.556 -0.001 0.000 0.298 744 H C 1.992 177.159 175.328 -0.268 0.000 1.106 744 H CA 2.248 58.030 56.048 -0.444 0.000 1.297 744 H CB -0.244 29.224 29.762 -0.491 0.000 1.375 744 H HN 0.540 nan 8.280 nan 0.000 0.509 745 D N -0.368 119.781 120.400 -0.418 0.000 2.144 745 D HA -0.095 4.545 4.640 -0.001 0.000 0.200 745 D C 2.289 178.413 176.300 -0.294 0.000 0.978 745 D CA 1.409 55.181 54.000 -0.379 0.000 0.833 745 D CB -0.381 40.354 40.800 -0.109 0.000 0.961 745 D HN 0.525 nan 8.370 nan 0.000 0.470 746 A N 0.015 122.700 122.820 -0.225 0.000 1.865 746 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 746 A C 2.610 180.082 177.584 -0.187 0.000 1.191 746 A CA 1.684 53.623 52.037 -0.163 0.000 0.623 746 A CB -1.266 17.654 19.000 -0.134 0.000 0.826 746 A HN 0.536 nan 8.150 nan 0.000 0.444 747 C N -0.928 118.223 119.300 -0.249 0.000 2.349 747 C HA -0.152 4.307 4.460 -0.001 0.000 0.274 747 C C 3.251 178.095 174.990 -0.242 0.000 1.178 747 C CA 1.207 60.077 59.018 -0.246 0.000 1.769 747 C CB -1.574 25.983 27.740 -0.304 0.000 2.047 747 C HN 0.721 nan 8.230 nan 0.000 0.448 748 A N -0.113 122.492 122.820 -0.358 0.000 2.131 748 A HA 0.153 4.473 4.320 -0.001 0.000 0.220 748 A C 2.017 179.513 177.584 -0.147 0.000 1.158 748 A CA 1.772 53.651 52.037 -0.263 0.000 0.665 748 A CB -0.511 18.279 19.000 -0.350 0.000 0.795 748 A HN 0.718 nan 8.150 nan 0.000 0.460 749 A N -2.261 120.479 122.820 -0.133 0.000 2.337 749 A HA 0.277 4.597 4.320 -0.001 0.000 0.227 749 A C 1.451 179.002 177.584 -0.055 0.000 1.259 749 A CA 0.643 52.635 52.037 -0.075 0.000 0.870 749 A CB -0.804 18.165 19.000 -0.052 0.000 0.927 749 A HN 0.517 nan 8.150 nan 0.000 0.497 750 C N -1.434 117.826 119.300 -0.066 0.000 2.865 750 C HA 0.549 5.008 4.460 -0.001 0.000 0.280 750 C C 1.494 176.464 174.990 -0.034 0.000 1.255 750 C CA 0.423 59.414 59.018 -0.046 0.000 1.705 750 C CB -0.589 27.121 27.740 -0.050 0.000 2.080 750 C HN 0.757 nan 8.230 nan 0.000 0.591 751 G N 0.374 109.148 108.800 -0.043 0.000 2.428 751 G HA2 0.399 4.359 3.960 -0.001 0.000 0.304 751 G HA3 0.399 4.359 3.960 -0.001 0.000 0.304 751 G C -2.809 172.040 174.900 -0.086 0.000 1.303 751 G CA -0.110 44.963 45.100 -0.045 0.000 0.825 751 G HN -0.181 nan 8.290 nan 0.000 0.484 752 P HA 0.269 nan 4.420 nan 0.000 0.263 752 P C -0.406 176.708 177.300 -0.310 0.000 1.448 752 P CA 0.083 63.035 63.100 -0.246 0.000 0.983 752 P CB 0.085 31.603 31.700 -0.303 0.000 1.481 753 H N -0.867 118.230 119.070 0.045 0.000 2.533 753 H HA 0.139 4.694 4.556 -0.001 0.000 0.343 753 H C -0.326 175.077 175.328 0.125 0.000 1.160 753 H CA -0.738 55.361 56.048 0.086 0.000 1.218 753 H CB 1.281 31.076 29.762 0.056 0.000 1.566 753 H HN 0.182 nan 8.280 nan 0.000 0.522 754 W N 5.412 126.790 121.300 0.129 0.000 2.565 754 W HA 0.048 4.707 4.660 -0.001 0.000 0.325 754 W C -2.078 174.470 176.519 0.048 0.000 1.408 754 W CA -1.531 55.836 57.345 0.036 0.000 1.350 754 W CB 0.480 29.932 29.460 -0.013 0.000 1.426 754 W HN 0.508 nan 8.180 nan 0.000 0.538 755 P HA -0.162 nan 4.420 nan 0.000 0.223 755 P C -0.152 176.804 177.300 -0.573 0.000 1.151 755 P CA 1.333 64.166 63.100 -0.444 0.000 0.787 755 P CB 0.026 31.487 31.700 -0.399 0.000 0.788 756 D N -1.588 118.108 120.400 -1.173 0.000 2.890 756 D HA -0.178 4.462 4.640 -0.001 0.000 0.226 756 D C -0.585 175.528 176.300 -0.312 0.000 1.207 756 D CA 0.074 53.666 54.000 -0.679 0.000 0.764 756 D CB -0.932 39.773 40.800 -0.159 0.000 0.948 756 D HN -0.011 nan 8.370 nan 0.000 0.404 757 L N 1.762 122.767 121.223 -0.363 0.000 2.331 757 L HA 0.316 4.656 4.340 -0.001 0.000 0.278 757 L C -0.107 176.798 176.870 0.057 0.000 1.106 757 L CA 0.209 54.935 54.840 -0.189 0.000 0.824 757 L CB 1.141 42.991 42.059 -0.348 0.000 1.142 757 L HN 0.113 nan 8.230 nan 0.000 0.443 758 Q N 3.909 123.791 119.800 0.138 0.000 2.230 758 Q HA 0.616 4.956 4.340 -0.001 0.000 0.253 758 Q C -0.623 175.559 176.000 0.303 0.000 0.919 758 Q CA -0.438 55.522 55.803 0.261 0.000 0.908 758 Q CB 1.755 30.602 28.738 0.183 0.000 1.245 758 Q HN 0.794 nan 8.270 nan 0.000 0.437 759 A N 4.081 127.035 122.820 0.223 0.000 2.290 759 A HA 0.598 4.917 4.320 -0.001 0.000 0.310 759 A C -2.177 175.368 177.584 -0.065 0.000 1.202 759 A CA -1.490 50.523 52.037 -0.041 0.000 0.837 759 A CB 0.257 18.932 19.000 -0.542 0.000 1.139 759 A HN 0.411 nan 8.150 nan 0.000 0.509 760 P HA 0.199 nan 4.420 nan 0.000 0.276 760 P C -0.026 177.293 177.300 0.031 0.000 1.235 760 P CA 0.101 63.145 63.100 -0.093 0.000 0.772 760 P CB 1.182 32.825 31.700 -0.097 0.000 0.871 761 A N 3.426 126.319 122.820 0.122 0.000 3.046 761 A HA 0.203 4.523 4.320 -0.001 0.000 0.259 761 A C 1.108 178.675 177.584 -0.028 0.000 1.843 761 A CA -0.141 51.932 52.037 0.059 0.000 1.451 761 A CB -1.590 17.404 19.000 -0.010 0.000 1.025 761 A HN 0.631 nan 8.150 nan 0.000 0.625 762 T N -1.834 112.700 114.554 -0.034 0.000 2.791 762 T HA 0.188 4.538 4.350 -0.001 0.000 0.323 762 T C -1.435 173.232 174.700 -0.055 0.000 1.082 762 T CA -0.677 61.389 62.100 -0.055 0.000 1.084 762 T CB 0.240 69.079 68.868 -0.048 0.000 0.992 762 T HN 0.210 nan 8.240 nan 0.000 0.547 763 P HA -0.112 nan 4.420 nan 0.000 0.215 763 P C 1.559 178.831 177.300 -0.048 0.000 1.153 763 P CA 1.426 64.492 63.100 -0.056 0.000 0.853 763 P CB -0.019 31.649 31.700 -0.052 0.000 0.788 764 E N 0.301 120.478 120.200 -0.037 0.000 2.049 764 E HA -0.251 4.098 4.350 -0.001 0.000 0.198 764 E C 1.927 178.510 176.600 -0.028 0.000 1.007 764 E CA 1.738 58.121 56.400 -0.028 0.000 0.809 764 E CB -0.898 28.791 29.700 -0.018 0.000 0.749 764 E HN 0.088 nan 8.360 nan 0.000 0.450 765 A N 0.509 123.314 122.820 -0.024 0.000 1.972 765 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 765 A C 2.397 179.951 177.584 -0.051 0.000 1.169 765 A CA 1.509 53.534 52.037 -0.020 0.000 0.635 765 A CB -0.508 18.494 19.000 0.004 0.000 0.810 765 A HN 0.254 nan 8.150 nan 0.000 0.446 766 V N -0.561 119.312 119.914 -0.069 0.000 2.283 766 V HA -0.185 3.934 4.120 -0.001 0.000 0.243 766 V C 2.426 178.466 176.094 -0.090 0.000 1.039 766 V CA 1.754 63.993 62.300 -0.102 0.000 1.016 766 V CB -0.754 31.005 31.823 -0.106 0.000 0.650 766 V HN 0.579 nan 8.190 nan 0.000 0.449 767 L N 0.968 122.152 121.223 -0.066 0.000 2.079 767 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 767 L C 2.444 179.283 176.870 -0.052 0.000 1.081 767 L CA 2.337 57.144 54.840 -0.054 0.000 0.752 767 L CB -0.895 41.139 42.059 -0.041 0.000 0.896 767 L HN 0.243 nan 8.230 nan 0.000 0.433 768 A N -0.498 122.294 122.820 -0.047 0.000 1.883 768 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 768 A C 2.451 179.999 177.584 -0.060 0.000 1.186 768 A CA 2.082 54.094 52.037 -0.041 0.000 0.624 768 A CB -1.229 17.755 19.000 -0.027 0.000 0.822 768 A HN 0.580 nan 8.150 nan 0.000 0.444 769 A N -0.845 121.923 122.820 -0.087 0.000 1.930 769 A HA 0.078 4.397 4.320 -0.001 0.000 0.217 769 A C 2.219 179.730 177.584 -0.122 0.000 1.175 769 A CA 1.554 53.514 52.037 -0.129 0.000 0.627 769 A CB -0.845 18.047 19.000 -0.180 0.000 0.815 769 A HN 0.365 nan 8.150 nan 0.000 0.443 770 V N 0.459 120.312 119.914 -0.102 0.000 2.287 770 V HA -0.307 3.813 4.120 -0.001 0.000 0.248 770 V C 2.680 178.742 176.094 -0.054 0.000 1.053 770 V CA 2.364 64.614 62.300 -0.083 0.000 1.027 770 V CB -0.785 30.996 31.823 -0.069 0.000 0.646 770 V HN 0.560 nan 8.190 nan 0.000 0.447 771 R N -0.335 120.138 120.500 -0.046 0.000 2.092 771 R HA -0.111 4.229 4.340 -0.001 0.000 0.231 771 R C 2.470 178.754 176.300 -0.026 0.000 1.119 771 R CA 1.243 57.325 56.100 -0.030 0.000 0.970 771 R CB -0.392 29.891 30.300 -0.029 0.000 0.864 771 R HN 0.509 nan 8.270 nan 0.000 0.440 772 R N 0.816 121.291 120.500 -0.042 0.000 2.073 772 R HA -0.078 4.261 4.340 -0.001 0.000 0.234 772 R C 2.458 178.772 176.300 0.023 0.000 1.134 772 R CA 1.438 57.512 56.100 -0.042 0.000 0.952 772 R CB -0.551 29.715 30.300 -0.058 0.000 0.850 772 R HN 0.194 nan 8.270 nan 0.000 0.433 773 A N 1.565 124.394 122.820 0.015 0.000 1.927 773 A HA -0.267 4.052 4.320 -0.001 0.000 0.220 773 A C 1.927 179.593 177.584 0.137 0.000 1.185 773 A CA 1.925 53.999 52.037 0.061 0.000 0.639 773 A CB -0.421 18.553 19.000 -0.044 0.000 0.820 773 A HN 0.417 nan 8.150 nan 0.000 0.451 774 E N -1.803 118.450 120.200 0.088 0.000 2.112 774 E HA 0.307 4.656 4.350 -0.001 0.000 0.190 774 E C 0.895 177.600 176.600 0.176 0.000 0.979 774 E CA 0.319 56.779 56.400 0.101 0.000 0.814 774 E CB -0.131 29.590 29.700 0.034 0.000 0.762 774 E HN 0.855 nan 8.360 nan 0.000 0.460 775 G N 1.835 110.687 108.800 0.086 0.000 2.884 775 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.261 775 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.261 775 G C -0.821 174.071 174.900 -0.015 0.000 1.025 775 G CA -0.579 44.505 45.100 -0.026 0.000 1.228 775 G HN -0.053 nan 8.290 nan 0.000 0.558 776 R N 0.916 121.400 120.500 -0.026 0.000 2.532 776 R HA 0.768 5.108 4.340 -0.001 0.000 0.297 776 R C 0.722 177.008 176.300 -0.024 0.000 0.984 776 R CA -0.195 55.894 56.100 -0.018 0.000 0.884 776 R CB 1.585 31.878 30.300 -0.012 0.000 1.182 776 R HN 1.273 nan 8.270 nan 0.000 0.442 777 A N 0.000 122.808 122.820 -0.019 0.000 2.254 777 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 777 A CA 0.000 52.026 52.037 -0.018 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