REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2o78_1_D DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.610 176.600 0.016 0.000 0.988 8 K CA 0.000 56.298 56.287 0.018 0.000 0.838 8 K CB 0.000 32.514 32.500 0.023 0.000 1.064 9 P HA 0.202 nan 4.420 nan 0.000 0.269 9 P C -1.328 175.980 177.300 0.013 0.000 1.211 9 P CA -0.272 62.838 63.100 0.017 0.000 0.781 9 P CB 0.450 32.163 31.700 0.022 0.000 0.877 10 A N 1.423 124.249 122.820 0.010 0.000 2.359 10 A HA 0.508 4.825 4.320 -0.006 0.000 0.303 10 A C -0.919 176.667 177.584 0.003 0.000 1.066 10 A CA -0.596 51.444 52.037 0.005 0.000 0.730 10 A CB 1.159 20.161 19.000 0.004 0.000 1.211 10 A HN 0.323 nan 8.150 nan 0.000 0.439 11 V N 2.691 122.603 119.914 -0.002 0.000 2.364 11 V HA 0.244 4.361 4.120 -0.006 0.000 0.272 11 V C 0.423 176.513 176.094 -0.007 0.000 1.036 11 V CA -0.222 62.075 62.300 -0.005 0.000 0.880 11 V CB 1.098 32.914 31.823 -0.012 0.000 0.991 11 V HN 0.939 nan 8.190 nan 0.000 0.460 12 E N 4.693 124.892 120.200 -0.003 0.000 2.089 12 E HA 0.328 4.675 4.350 -0.006 0.000 0.284 12 E C -0.856 175.741 176.600 -0.004 0.000 1.023 12 E CA -0.808 55.590 56.400 -0.003 0.000 0.819 12 E CB 1.178 30.878 29.700 0.001 0.000 1.076 12 E HN 0.561 nan 8.360 nan 0.000 0.396 13 L N 5.430 126.647 121.223 -0.010 0.000 2.281 13 L HA 0.237 4.574 4.340 -0.006 0.000 0.285 13 L C -0.078 176.789 176.870 -0.004 0.000 1.074 13 L CA 0.541 55.373 54.840 -0.013 0.000 0.817 13 L CB 1.149 43.194 42.059 -0.022 0.000 1.168 13 L HN 0.727 nan 8.230 nan 0.000 0.434 14 D N 2.929 123.332 120.400 0.005 0.000 3.013 14 D HA 0.178 4.814 4.640 -0.006 0.000 0.256 14 D C 1.344 177.654 176.300 0.016 0.000 1.573 14 D CA 0.873 54.880 54.000 0.011 0.000 1.197 14 D CB 0.662 41.473 40.800 0.018 0.000 1.041 14 D HN 0.582 nan 8.370 nan 0.000 0.304 15 R N -1.899 118.622 120.500 0.035 0.000 2.320 15 R HA 0.227 4.563 4.340 -0.006 0.000 0.193 15 R C 0.113 176.460 176.300 0.080 0.000 0.885 15 R CA -0.193 55.935 56.100 0.046 0.000 1.085 15 R CB 0.633 30.963 30.300 0.050 0.000 1.253 15 R HN 0.203 nan 8.270 nan 0.000 0.636 16 H N 0.330 119.393 119.070 -0.011 0.000 2.524 16 H HA 0.567 5.119 4.556 -0.007 0.000 0.353 16 H C -1.457 173.866 175.328 -0.010 0.000 1.136 16 H CA -0.728 55.313 56.048 -0.012 0.000 1.193 16 H CB 1.478 31.233 29.762 -0.011 0.000 1.558 16 H HN 0.004 nan 8.280 nan 0.000 0.515 17 I N 4.456 124.662 120.570 -0.606 0.000 2.569 17 I HA 0.256 4.422 4.170 -0.006 0.000 0.290 17 I C -1.166 174.647 176.117 -0.507 0.000 1.088 17 I CA -0.853 60.224 61.300 -0.372 0.000 1.047 17 I CB 1.398 39.281 38.000 -0.195 0.000 1.237 17 I HN 0.841 nan 8.210 nan 0.000 0.421 18 D N 6.132 126.396 120.400 -0.227 0.000 2.387 18 D HA 0.207 4.844 4.640 -0.006 0.000 0.251 18 D C 1.025 177.292 176.300 -0.055 0.000 1.141 18 D CA -0.555 53.385 54.000 -0.100 0.000 0.987 18 D CB 0.969 41.794 40.800 0.041 0.000 1.116 18 D HN 0.503 nan 8.370 nan 0.000 0.491 19 L N -0.379 120.840 121.223 -0.007 0.000 2.079 19 L HA -0.154 4.183 4.340 -0.006 0.000 0.210 19 L C 1.498 178.404 176.870 0.060 0.000 1.081 19 L CA 1.411 56.267 54.840 0.026 0.000 0.752 19 L CB -0.487 41.601 42.059 0.048 0.000 0.896 19 L HN 0.447 nan 8.230 nan 0.000 0.433 20 D N -0.240 120.196 120.400 0.059 0.000 2.117 20 D HA -0.167 4.469 4.640 -0.006 0.000 0.198 20 D C 2.334 178.674 176.300 0.067 0.000 0.982 20 D CA 1.054 55.104 54.000 0.084 0.000 0.828 20 D CB -0.103 40.738 40.800 0.067 0.000 0.967 20 D HN 0.400 nan 8.370 nan 0.000 0.464 21 Q N 0.367 120.185 119.800 0.030 0.000 2.084 21 Q HA -0.073 4.264 4.340 -0.006 0.000 0.202 21 Q C 2.224 178.220 176.000 -0.007 0.000 0.978 21 Q CA 1.380 57.188 55.803 0.009 0.000 0.844 21 Q CB -0.102 28.629 28.738 -0.013 0.000 0.898 21 Q HN 0.202 nan 8.270 nan 0.000 0.426 22 A N 0.835 123.646 122.820 -0.015 0.000 1.877 22 A HA -0.244 4.072 4.320 -0.006 0.000 0.216 22 A C 1.954 179.516 177.584 -0.037 0.000 1.186 22 A CA 1.649 53.665 52.037 -0.034 0.000 0.620 22 A CB -0.862 18.117 19.000 -0.035 0.000 0.822 22 A HN 0.450 nan 8.150 nan 0.000 0.443 23 H N -0.024 118.993 119.070 -0.088 0.000 2.457 23 H HA 0.038 4.590 4.556 -0.006 0.000 0.294 23 H C 2.209 177.452 175.328 -0.141 0.000 1.064 23 H CA 1.381 57.338 56.048 -0.153 0.000 1.330 23 H CB -0.124 29.459 29.762 -0.298 0.000 1.395 23 H HN 0.416 nan 8.280 nan 0.000 0.541 24 A N 0.367 123.183 122.820 -0.006 0.000 1.902 24 A HA -0.091 4.225 4.320 -0.006 0.000 0.217 24 A C 2.829 180.378 177.584 -0.057 0.000 1.181 24 A CA 1.516 53.553 52.037 0.000 0.000 0.623 24 A CB -0.811 18.210 19.000 0.034 0.000 0.818 24 A HN 0.278 nan 8.150 nan 0.000 0.443 25 V N -0.220 119.649 119.914 -0.075 0.000 2.307 25 V HA -0.190 3.927 4.120 -0.006 0.000 0.245 25 V C 3.066 179.071 176.094 -0.149 0.000 1.045 25 V CA 1.828 64.077 62.300 -0.085 0.000 1.024 25 V CB -1.237 30.539 31.823 -0.078 0.000 0.651 25 V HN 0.597 nan 8.190 nan 0.000 0.449 26 A N 0.761 123.451 122.820 -0.217 0.000 1.940 26 A HA -0.203 4.114 4.320 -0.006 0.000 0.219 26 A C 2.361 179.735 177.584 -0.351 0.000 1.176 26 A CA 2.272 54.125 52.037 -0.307 0.000 0.631 26 A CB -0.641 18.174 19.000 -0.307 0.000 0.814 26 A HN 0.702 nan 8.150 nan 0.000 0.446 27 S N -2.122 113.399 115.700 -0.298 0.000 2.593 27 S HA 0.386 4.853 4.470 -0.006 0.000 0.217 27 S C 1.377 176.116 174.600 0.231 0.000 0.966 27 S CA 1.003 59.178 58.200 -0.042 0.000 0.914 27 S CB -0.271 62.810 63.200 -0.199 0.000 0.776 27 S HN 1.928 nan 8.310 nan 0.000 0.523 28 G N 0.460 109.330 108.800 0.116 0.000 2.162 28 G HA2 -0.230 3.727 3.960 -0.006 0.000 0.260 28 G HA3 -0.230 3.727 3.960 -0.006 0.000 0.260 28 G C 0.873 175.842 174.900 0.115 0.000 0.976 28 G CA 0.136 45.355 45.100 0.198 0.000 0.655 28 G HN 0.969 nan 8.290 nan 0.000 0.533 29 G N -0.425 108.419 108.800 0.073 0.000 2.572 29 G HA2 0.554 4.511 3.960 -0.006 0.000 0.216 29 G HA3 0.554 4.511 3.960 -0.006 0.000 0.216 29 G C 0.655 175.581 174.900 0.043 0.000 1.133 29 G CA 1.784 46.921 45.100 0.061 0.000 0.791 29 G HN 1.830 nan 8.290 nan 0.000 0.538 30 A N -0.555 122.281 122.820 0.028 0.000 2.539 30 A HA 0.800 5.116 4.320 -0.006 0.000 0.296 30 A C -0.297 177.291 177.584 0.007 0.000 1.073 30 A CA -0.829 51.218 52.037 0.017 0.000 0.700 30 A CB 1.548 20.555 19.000 0.012 0.000 1.296 30 A HN 0.194 nan 8.150 nan 0.000 0.405 31 R N -0.059 120.445 120.500 0.006 0.000 2.546 31 R HA 0.678 5.014 4.340 -0.006 0.000 0.266 31 R C -0.759 175.535 176.300 -0.010 0.000 1.086 31 R CA -0.432 55.668 56.100 -0.001 0.000 1.160 31 R CB 1.307 31.609 30.300 0.003 0.000 1.138 31 R HN 0.685 nan 8.270 nan 0.000 0.567 32 I N 0.869 121.429 120.570 -0.016 0.000 2.545 32 I HA 0.420 4.586 4.170 -0.006 0.000 0.292 32 I C -1.452 174.655 176.117 -0.016 0.000 1.040 32 I CA -0.902 60.386 61.300 -0.020 0.000 1.068 32 I CB 1.960 39.941 38.000 -0.032 0.000 1.251 32 I HN 0.291 nan 8.210 nan 0.000 0.424 33 V N 7.996 127.902 119.914 -0.014 0.000 2.760 33 V HA 0.481 4.598 4.120 -0.006 0.000 0.309 33 V C -1.324 174.763 176.094 -0.012 0.000 1.077 33 V CA -0.694 61.599 62.300 -0.012 0.000 0.910 33 V CB 2.105 33.923 31.823 -0.007 0.000 1.008 33 V HN 0.659 nan 8.190 nan 0.000 0.424 34 L N 6.442 127.657 121.223 -0.012 0.000 2.313 34 L HA 0.736 5.072 4.340 -0.006 0.000 0.282 34 L C 0.723 177.588 176.870 -0.008 0.000 1.092 34 L CA 0.763 55.596 54.840 -0.012 0.000 0.831 34 L CB 0.875 42.925 42.059 -0.014 0.000 1.159 34 L HN 0.915 nan 8.230 nan 0.000 0.442 35 A N 6.843 129.660 122.820 -0.005 0.000 2.386 35 A HA 0.423 4.739 4.320 -0.006 0.000 0.248 35 A C -1.589 175.994 177.584 -0.002 0.000 1.082 35 A CA -0.910 51.125 52.037 -0.002 0.000 0.789 35 A CB -0.287 18.714 19.000 0.001 0.000 1.025 35 A HN 0.779 nan 8.150 nan 0.000 0.490 36 P HA -0.167 nan 4.420 nan 0.000 0.216 36 P C -1.465 175.834 177.300 -0.002 0.000 1.157 36 P CA 1.959 65.057 63.100 -0.002 0.000 0.880 36 P CB -0.768 30.932 31.700 -0.001 0.000 0.791 37 P HA -0.124 nan 4.420 nan 0.000 0.218 37 P C 1.367 178.668 177.300 0.001 0.000 1.149 37 P CA 1.884 64.985 63.100 0.002 0.000 0.817 37 P CB -0.574 31.129 31.700 0.004 0.000 0.785 38 A N -0.255 122.566 122.820 0.000 0.000 1.897 38 A HA -0.158 4.159 4.320 -0.006 0.000 0.215 38 A C 2.397 179.978 177.584 -0.005 0.000 1.181 38 A CA 1.211 53.247 52.037 -0.001 0.000 0.620 38 A CB -1.087 17.912 19.000 -0.003 0.000 0.821 38 A HN -0.009 nan 8.150 nan 0.000 0.443 39 R N -0.229 120.266 120.500 -0.007 0.000 2.091 39 R HA -0.173 4.164 4.340 -0.006 0.000 0.238 39 R C 1.234 177.528 176.300 -0.010 0.000 1.136 39 R CA 1.924 58.018 56.100 -0.011 0.000 0.959 39 R CB -0.317 29.976 30.300 -0.011 0.000 0.856 39 R HN 0.467 nan 8.270 nan 0.000 0.437 40 D N 0.052 120.448 120.400 -0.007 0.000 2.149 40 D HA -0.159 4.478 4.640 -0.006 0.000 0.201 40 D C 1.973 178.270 176.300 -0.004 0.000 0.972 40 D CA 1.330 55.327 54.000 -0.005 0.000 0.835 40 D CB -0.171 40.627 40.800 -0.003 0.000 0.966 40 D HN 0.461 nan 8.370 nan 0.000 0.476 41 R N 0.320 120.820 120.500 -0.001 0.000 2.148 41 R HA 0.022 4.358 4.340 -0.006 0.000 0.223 41 R C 1.995 178.297 176.300 0.003 0.000 1.088 41 R CA 0.955 57.057 56.100 0.004 0.000 0.985 41 R CB -0.743 29.562 30.300 0.007 0.000 0.880 41 R HN 0.066 nan 8.270 nan 0.000 0.451 42 C N 0.790 120.089 119.300 -0.003 0.000 2.475 42 C HA 0.173 4.630 4.460 -0.006 0.000 0.279 42 C C 2.605 177.584 174.990 -0.018 0.000 1.322 42 C CA 0.351 59.365 59.018 -0.007 0.000 1.734 42 C CB -0.722 27.010 27.740 -0.013 0.000 2.005 42 C HN 0.529 nan 8.230 nan 0.000 0.495 43 R N 1.121 121.608 120.500 -0.020 0.000 2.096 43 R HA -0.100 4.236 4.340 -0.006 0.000 0.235 43 R C 2.339 178.625 176.300 -0.023 0.000 1.127 43 R CA 1.549 57.633 56.100 -0.027 0.000 0.968 43 R CB -0.423 29.865 30.300 -0.021 0.000 0.861 43 R HN 0.548 nan 8.270 nan 0.000 0.440 44 A N 0.189 123.000 122.820 -0.014 0.000 1.930 44 A HA -0.166 4.151 4.320 -0.006 0.000 0.217 44 A C 2.179 179.754 177.584 -0.015 0.000 1.175 44 A CA 1.762 53.793 52.037 -0.010 0.000 0.627 44 A CB -0.512 18.488 19.000 -0.000 0.000 0.815 44 A HN 0.288 nan 8.150 nan 0.000 0.443 45 S N -0.806 114.889 115.700 -0.009 0.000 2.368 45 S HA -0.190 4.277 4.470 -0.006 0.000 0.224 45 S C 2.020 176.580 174.600 -0.066 0.000 1.029 45 S CA 1.534 59.729 58.200 -0.008 0.000 0.988 45 S CB -0.339 62.880 63.200 0.033 0.000 0.838 45 S HN 0.666 nan 8.310 nan 0.000 0.462 46 E N 0.373 120.537 120.200 -0.059 0.000 2.085 46 E HA -0.165 4.182 4.350 -0.006 0.000 0.194 46 E C 2.067 178.616 176.600 -0.084 0.000 0.994 46 E CA 1.138 57.489 56.400 -0.081 0.000 0.801 46 E CB -0.356 29.299 29.700 -0.075 0.000 0.743 46 E HN 0.608 nan 8.360 nan 0.000 0.453 47 A N 1.247 124.030 122.820 -0.061 0.000 1.902 47 A HA -0.164 4.153 4.320 -0.006 0.000 0.217 47 A C 2.140 179.677 177.584 -0.078 0.000 1.181 47 A CA 1.332 53.338 52.037 -0.051 0.000 0.623 47 A CB -0.409 18.573 19.000 -0.030 0.000 0.818 47 A HN 0.180 nan 8.150 nan 0.000 0.443 48 R N -1.143 119.298 120.500 -0.098 0.000 2.096 48 R HA -0.105 4.232 4.340 -0.006 0.000 0.235 48 R C 2.096 178.238 176.300 -0.264 0.000 1.127 48 R CA 1.379 57.403 56.100 -0.127 0.000 0.968 48 R CB -0.609 29.643 30.300 -0.080 0.000 0.861 48 R HN 0.497 nan 8.270 nan 0.000 0.440 49 L N 0.662 121.645 121.223 -0.400 0.000 2.046 49 L HA -0.028 4.309 4.340 -0.006 0.000 0.208 49 L C 2.152 178.872 176.870 -0.249 0.000 1.077 49 L CA 2.106 56.620 54.840 -0.544 0.000 0.747 49 L CB -1.016 40.755 42.059 -0.479 0.000 0.896 49 L HN 0.163 nan 8.230 nan 0.000 0.432 50 G N -1.036 107.678 108.800 -0.143 0.000 2.440 50 G HA2 -0.270 3.687 3.960 -0.006 0.000 0.218 50 G HA3 -0.270 3.687 3.960 -0.006 0.000 0.218 50 G C 1.585 176.449 174.900 -0.059 0.000 1.154 50 G CA 0.880 45.939 45.100 -0.068 0.000 0.767 50 G HN 0.654 nan 8.290 nan 0.000 0.552 51 A N 0.049 122.830 122.820 -0.066 0.000 1.898 51 A HA 0.124 4.440 4.320 -0.006 0.000 0.216 51 A C 2.594 180.162 177.584 -0.026 0.000 1.181 51 A CA 1.676 53.691 52.037 -0.037 0.000 0.620 51 A CB -0.621 18.361 19.000 -0.029 0.000 0.819 51 A HN 0.245 nan 8.150 nan 0.000 0.442 52 V N 0.347 120.230 119.914 -0.051 0.000 2.332 52 V HA -0.283 3.833 4.120 -0.006 0.000 0.248 52 V C 2.406 178.510 176.094 0.016 0.000 1.055 52 V CA 2.110 64.410 62.300 0.000 0.000 1.038 52 V CB -0.634 31.184 31.823 -0.007 0.000 0.651 52 V HN 0.575 nan 8.190 nan 0.000 0.450 53 I N -0.632 119.928 120.570 -0.015 0.000 2.252 53 I HA -0.196 3.971 4.170 -0.006 0.000 0.245 53 I C 2.703 178.822 176.117 0.003 0.000 1.102 53 I CA 1.381 62.682 61.300 0.001 0.000 1.385 53 I CB -0.417 37.575 38.000 -0.013 0.000 1.064 53 I HN 0.221 nan 8.210 nan 0.000 0.414 54 R N 0.898 121.396 120.500 -0.005 0.000 2.115 54 R HA -0.139 4.198 4.340 -0.006 0.000 0.230 54 R C 1.643 177.947 176.300 0.007 0.000 1.111 54 R CA 1.175 57.274 56.100 -0.002 0.000 0.976 54 R CB -0.256 30.041 30.300 -0.006 0.000 0.870 54 R HN 0.478 nan 8.270 nan 0.000 0.445 55 E N 0.200 120.408 120.200 0.014 0.000 2.502 55 E HA 0.118 4.465 4.350 -0.006 0.000 0.194 55 E C 0.361 176.980 176.600 0.031 0.000 1.062 55 E CA 0.326 56.740 56.400 0.023 0.000 0.867 55 E CB 0.439 30.157 29.700 0.029 0.000 0.888 55 E HN 0.313 nan 8.360 nan 0.000 0.510 56 A N 2.090 124.929 122.820 0.032 0.000 2.822 56 A HA -0.229 4.087 4.320 -0.006 0.000 0.287 56 A C 0.126 177.748 177.584 0.064 0.000 1.479 56 A CA 0.555 52.614 52.037 0.037 0.000 0.779 56 A CB -1.355 17.657 19.000 0.019 0.000 1.022 56 A HN 0.149 nan 8.150 nan 0.000 0.532 57 R N 0.133 120.686 120.500 0.090 0.000 2.679 57 R HA 0.077 4.414 4.340 -0.006 0.000 0.268 57 R C 0.539 176.955 176.300 0.193 0.000 1.044 57 R CA -0.005 56.175 56.100 0.133 0.000 1.105 57 R CB 0.054 30.442 30.300 0.148 0.000 0.989 57 R HN 0.719 nan 8.270 nan 0.000 0.447 58 H N 1.916 121.030 119.070 0.073 0.000 3.232 58 H HA 0.210 4.764 4.556 -0.003 0.000 0.254 58 H C -0.893 174.508 175.328 0.121 0.000 1.213 58 H CA -0.389 55.695 56.048 0.060 0.000 1.503 58 H CB 0.185 29.957 29.762 0.017 0.000 1.563 58 H HN 0.046 nan 8.280 nan 0.000 0.490 59 V N 6.349 126.452 119.914 0.314 0.000 2.638 59 V HA 0.003 4.119 4.120 -0.006 0.000 0.306 59 V C -0.710 175.602 176.094 0.362 0.000 1.052 59 V CA -1.008 61.509 62.300 0.362 0.000 0.885 59 V CB 1.341 33.384 31.823 0.367 0.000 0.999 59 V HN 0.649 nan 8.190 nan 0.000 0.424 60 Y N 3.767 124.301 120.300 0.391 0.000 2.805 60 Y HA 0.356 4.908 4.550 0.004 0.000 0.331 60 Y C 1.358 177.364 175.900 0.176 0.000 1.241 60 Y CA 1.848 60.084 58.100 0.228 0.000 1.546 60 Y CB 0.506 39.152 38.460 0.310 0.000 1.248 60 Y HN 1.057 nan 8.280 nan 0.000 0.559 61 G N 4.087 112.609 108.800 -0.464 0.000 2.225 61 G HA2 -0.295 3.661 3.960 -0.006 0.000 0.254 61 G HA3 -0.295 3.661 3.960 -0.006 0.000 0.254 61 G C 0.579 175.446 174.900 -0.055 0.000 0.988 61 G CA 0.554 45.495 45.100 -0.266 0.000 0.625 61 G HN 0.675 nan 8.290 nan 0.000 0.527 62 L N -0.158 121.068 121.223 0.006 0.000 2.577 62 L HA 0.301 4.638 4.340 -0.006 0.000 0.225 62 L C 2.086 178.965 176.870 0.014 0.000 1.053 62 L CA 1.491 56.361 54.840 0.051 0.000 0.866 62 L CB 0.580 42.716 42.059 0.129 0.000 1.132 62 L HN 0.447 nan 8.230 nan 0.000 0.486 63 T N -4.061 110.502 114.554 0.014 0.000 3.403 63 T HA 0.186 4.532 4.350 -0.006 0.000 0.308 63 T C 0.238 174.919 174.700 -0.032 0.000 0.952 63 T CA 0.159 62.261 62.100 0.003 0.000 0.970 63 T CB 0.062 68.965 68.868 0.058 0.000 1.189 63 T HN 0.175 nan 8.240 nan 0.000 0.528 64 T N -1.859 112.624 114.554 -0.119 0.000 2.841 64 T HA 0.787 5.133 4.350 -0.006 0.000 0.296 64 T C 0.489 174.932 174.700 -0.427 0.000 1.166 64 T CA -0.269 61.734 62.100 -0.162 0.000 1.007 64 T CB 1.428 70.290 68.868 -0.010 0.000 1.253 64 T HN 0.314 nan 8.240 nan 0.000 0.511 65 G N -0.281 108.309 108.800 -0.350 0.000 2.535 65 G HA2 0.579 4.536 3.960 -0.006 0.000 0.282 65 G HA3 0.579 4.536 3.960 -0.006 0.000 0.282 65 G C -1.119 173.398 174.900 -0.638 0.000 1.350 65 G CA -0.826 43.986 45.100 -0.479 0.000 1.039 65 G HN 0.536 nan 8.290 nan 0.000 0.509 66 F N -0.533 119.394 119.950 -0.038 0.000 2.470 66 F HA 0.599 5.121 4.527 -0.009 0.000 0.329 66 F C 1.177 177.100 175.800 0.206 0.000 1.072 66 F CA 0.390 58.440 58.000 0.083 0.000 0.989 66 F CB 1.376 40.492 39.000 0.192 0.000 1.193 66 F HN 1.026 nan 8.300 nan 0.000 0.481 67 G N 2.375 111.521 108.800 0.576 0.000 2.596 67 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.295 67 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.295 67 G C -1.681 173.345 174.900 0.211 0.000 1.240 67 G CA -0.029 45.254 45.100 0.305 0.000 0.985 67 G HN 0.554 nan 8.290 nan 0.000 0.555 68 P HA 0.065 nan 4.420 nan 0.000 0.234 68 P C 1.676 179.015 177.300 0.066 0.000 1.167 68 P CA 0.989 64.138 63.100 0.082 0.000 0.763 68 P CB -0.075 31.657 31.700 0.053 0.000 0.835 69 L N -0.966 120.297 121.223 0.067 0.000 2.591 69 L HA 0.182 4.518 4.340 -0.006 0.000 0.228 69 L C 2.325 179.204 176.870 0.015 0.000 1.133 69 L CA 0.181 55.033 54.840 0.021 0.000 0.880 69 L CB -0.602 41.449 42.059 -0.014 0.000 1.033 69 L HN -0.081 nan 8.230 nan 0.000 0.450 70 A N 1.321 124.190 122.820 0.081 0.000 2.125 70 A HA -0.178 4.138 4.320 -0.006 0.000 0.219 70 A C 1.955 179.584 177.584 0.074 0.000 1.156 70 A CA 1.430 53.525 52.037 0.096 0.000 0.671 70 A CB -0.517 18.646 19.000 0.272 0.000 0.794 70 A HN 0.653 nan 8.150 nan 0.000 0.459 71 N N -0.496 118.235 118.700 0.052 0.000 2.515 71 N HA -0.053 4.684 4.740 -0.006 0.000 0.185 71 N C 0.054 175.563 175.510 -0.001 0.000 1.109 71 N CA 0.296 53.368 53.050 0.037 0.000 0.903 71 N CB -0.224 38.280 38.487 0.028 0.000 0.969 71 N HN 0.191 nan 8.380 nan 0.000 0.450 72 R N 1.144 121.632 120.500 -0.019 0.000 2.235 72 R HA 0.371 4.708 4.340 -0.006 0.000 0.338 72 R C -0.144 176.117 176.300 -0.066 0.000 1.087 72 R CA -0.293 55.780 56.100 -0.045 0.000 0.948 72 R CB 0.452 30.721 30.300 -0.052 0.000 1.099 72 R HN 0.164 nan 8.270 nan 0.000 0.483 73 L N 3.747 124.926 121.223 -0.073 0.000 2.461 73 L HA 0.254 4.591 4.340 -0.006 0.000 0.272 73 L C 0.240 177.060 176.870 -0.083 0.000 1.197 73 L CA -0.012 54.772 54.840 -0.093 0.000 0.836 73 L CB 0.372 42.353 42.059 -0.130 0.000 1.105 73 L HN 0.338 nan 8.230 nan 0.000 0.477 74 I N 0.901 121.422 120.570 -0.083 0.000 2.646 74 I HA 0.298 4.465 4.170 -0.006 0.000 0.299 74 I C 0.127 176.213 176.117 -0.051 0.000 1.036 74 I CA -0.416 60.842 61.300 -0.071 0.000 1.074 74 I CB 1.867 39.811 38.000 -0.093 0.000 1.258 74 I HN 0.502 nan 8.210 nan 0.000 0.430 75 S N 2.710 118.386 115.700 -0.040 0.000 2.584 75 S HA 0.324 4.791 4.470 -0.006 0.000 0.273 75 S C 1.364 175.951 174.600 -0.022 0.000 1.311 75 S CA -0.124 58.059 58.200 -0.029 0.000 1.034 75 S CB 1.528 64.713 63.200 -0.025 0.000 0.939 75 S HN 0.914 nan 8.310 nan 0.000 0.513 76 G N 1.622 110.412 108.800 -0.016 0.000 2.475 76 G HA2 -0.252 3.705 3.960 -0.006 0.000 0.220 76 G HA3 -0.252 3.705 3.960 -0.006 0.000 0.220 76 G C 1.111 176.003 174.900 -0.012 0.000 1.125 76 G CA 1.028 46.121 45.100 -0.011 0.000 0.755 76 G HN 0.899 nan 8.290 nan 0.000 0.565 77 E N 0.022 120.215 120.200 -0.013 0.000 2.472 77 E HA -0.037 4.310 4.350 -0.006 0.000 0.200 77 E C 1.056 177.650 176.600 -0.009 0.000 1.046 77 E CA 0.758 57.151 56.400 -0.012 0.000 0.871 77 E CB -0.075 29.618 29.700 -0.011 0.000 0.806 77 E HN 0.354 nan 8.360 nan 0.000 0.533 78 N N 0.347 119.040 118.700 -0.010 0.000 2.170 78 N HA 0.064 4.800 4.740 -0.006 0.000 0.222 78 N C 1.254 176.762 175.510 -0.003 0.000 1.218 78 N CA 0.109 53.155 53.050 -0.007 0.000 0.889 78 N CB 1.228 39.709 38.487 -0.011 0.000 1.083 78 N HN 0.027 nan 8.380 nan 0.000 0.520 79 V N 1.226 121.137 119.914 -0.005 0.000 2.407 79 V HA -0.171 3.946 4.120 -0.006 0.000 0.248 79 V C 2.369 178.474 176.094 0.019 0.000 1.055 79 V CA 1.530 63.832 62.300 0.003 0.000 1.049 79 V CB -0.334 31.492 31.823 0.005 0.000 0.662 79 V HN 0.233 nan 8.190 nan 0.000 0.455 80 R N -0.252 120.254 120.500 0.010 0.000 2.096 80 R HA -0.127 4.210 4.340 -0.006 0.000 0.235 80 R C 2.428 178.733 176.300 0.009 0.000 1.127 80 R CA 1.865 57.970 56.100 0.007 0.000 0.968 80 R CB -0.568 29.729 30.300 -0.004 0.000 0.861 80 R HN 0.512 nan 8.270 nan 0.000 0.440 81 T N 1.608 116.171 114.554 0.015 0.000 2.777 81 T HA -0.109 4.237 4.350 -0.006 0.000 0.266 81 T C 1.705 176.435 174.700 0.050 0.000 1.040 81 T CA 0.889 63.004 62.100 0.025 0.000 1.141 81 T CB -0.187 68.698 68.868 0.027 0.000 0.868 81 T HN 0.083 nan 8.240 nan 0.000 0.444 82 L N 1.466 122.727 121.223 0.064 0.000 1.989 82 L HA -0.153 4.183 4.340 -0.006 0.000 0.211 82 L C 2.403 179.410 176.870 0.228 0.000 1.071 82 L CA 1.869 56.787 54.840 0.130 0.000 0.749 82 L CB -0.707 41.382 42.059 0.049 0.000 0.890 82 L HN 0.247 nan 8.230 nan 0.000 0.431 83 Q N -0.894 118.997 119.800 0.150 0.000 2.224 83 Q HA -0.084 4.253 4.340 -0.006 0.000 0.203 83 Q C 2.168 178.145 176.000 -0.039 0.000 0.970 83 Q CA 1.137 57.004 55.803 0.107 0.000 0.865 83 Q CB -0.269 28.514 28.738 0.075 0.000 0.922 83 Q HN 0.713 nan 8.270 nan 0.000 0.445 84 A N 1.543 124.323 122.820 -0.067 0.000 1.929 84 A HA -0.153 4.164 4.320 -0.006 0.000 0.216 84 A C 1.728 179.090 177.584 -0.369 0.000 1.176 84 A CA 1.195 53.097 52.037 -0.226 0.000 0.628 84 A CB -0.228 18.675 19.000 -0.161 0.000 0.816 84 A HN 0.247 nan 8.150 nan 0.000 0.444 85 N N -0.194 118.454 118.700 -0.088 0.000 2.331 85 N HA -0.086 4.650 4.740 -0.006 0.000 0.180 85 N C 1.534 177.117 175.510 0.121 0.000 1.019 85 N CA 1.110 54.209 53.050 0.082 0.000 0.881 85 N CB -0.473 38.149 38.487 0.225 0.000 0.972 85 N HN 0.439 nan 8.380 nan 0.000 0.435 86 L N 0.920 122.134 121.223 -0.015 0.000 1.989 86 L HA -0.102 4.234 4.340 -0.006 0.000 0.211 86 L C 1.887 178.342 176.870 -0.691 0.000 1.071 86 L CA 1.481 56.047 54.840 -0.455 0.000 0.749 86 L CB -0.708 40.986 42.059 -0.608 0.000 0.890 86 L HN -0.102 nan 8.230 nan 0.000 0.431 87 V N -0.419 119.232 119.914 -0.438 0.000 2.490 87 V HA -0.326 3.791 4.120 -0.006 0.000 0.250 87 V C 2.343 178.275 176.094 -0.271 0.000 1.061 87 V CA 2.141 64.215 62.300 -0.376 0.000 1.064 87 V CB -1.070 30.580 31.823 -0.289 0.000 0.670 87 V HN 0.627 nan 8.190 nan 0.000 0.461 88 H N -0.265 118.674 119.070 -0.218 0.000 2.284 88 H HA -0.136 4.417 4.556 -0.006 0.000 0.304 88 H C 2.217 177.488 175.328 -0.096 0.000 1.069 88 H CA 1.803 57.776 56.048 -0.125 0.000 1.327 88 H CB -0.237 29.517 29.762 -0.013 0.000 1.387 88 H HN 0.603 nan 8.280 nan 0.000 0.498 89 F N 0.600 120.582 119.950 0.053 0.000 2.451 89 F HA -0.007 4.515 4.527 -0.008 0.000 0.299 89 F C 1.530 177.308 175.800 -0.038 0.000 1.101 89 F CA 0.730 58.733 58.000 0.004 0.000 1.436 89 F CB -0.618 38.391 39.000 0.014 0.000 1.074 89 F HN 0.012 nan 8.300 nan 0.000 0.553 90 L N 0.534 121.438 121.223 -0.532 0.000 2.446 90 L HA 0.273 4.610 4.340 -0.006 0.000 0.219 90 L C 1.895 178.624 176.870 -0.235 0.000 1.116 90 L CA 0.378 54.966 54.840 -0.420 0.000 0.844 90 L CB -0.548 41.137 42.059 -0.623 0.000 0.970 90 L HN 0.242 nan 8.230 nan 0.000 0.457 91 A N 0.200 122.843 122.820 -0.294 0.000 3.029 91 A HA 0.140 4.457 4.320 -0.006 0.000 0.251 91 A C 1.193 178.731 177.584 -0.077 0.000 1.749 91 A CA 0.268 52.002 52.037 -0.506 0.000 1.386 91 A CB -0.689 17.933 19.000 -0.629 0.000 1.043 91 A HN 0.359 nan 8.150 nan 0.000 0.638 92 S N -0.528 115.235 115.700 0.104 0.000 2.601 92 S HA 0.380 4.846 4.470 -0.006 0.000 0.244 92 S C 0.865 175.568 174.600 0.171 0.000 1.001 92 S CA 0.058 58.339 58.200 0.135 0.000 0.984 92 S CB 0.063 63.315 63.200 0.087 0.000 0.842 92 S HN 0.757 nan 8.310 nan 0.000 0.474 93 G N 1.525 110.526 108.800 0.334 0.000 2.544 93 G HA2 0.497 4.454 3.960 -0.006 0.000 0.242 93 G HA3 0.497 4.454 3.960 -0.006 0.000 0.242 93 G C -0.136 174.730 174.900 -0.056 0.000 1.247 93 G CA 0.103 45.227 45.100 0.040 0.000 0.840 93 G HN 1.030 nan 8.290 nan 0.000 0.578 94 V N -0.903 118.972 119.914 -0.065 0.000 3.182 94 V HA 1.030 5.146 4.120 -0.006 0.000 0.308 94 V C 0.561 176.619 176.094 -0.060 0.000 1.240 94 V CA -0.112 62.156 62.300 -0.054 0.000 1.063 94 V CB 1.101 32.913 31.823 -0.017 0.000 1.076 94 V HN 2.555 nan 8.190 nan 0.000 0.446 95 G N 0.745 109.518 108.800 -0.045 0.000 2.712 95 G HA2 0.052 4.008 3.960 -0.006 0.000 0.683 95 G HA3 0.052 4.008 3.960 -0.006 0.000 0.683 95 G C -3.005 171.870 174.900 -0.042 0.000 1.320 95 G CA -0.342 44.737 45.100 -0.036 0.000 0.847 95 G HN 1.007 nan 8.290 nan 0.000 0.553 96 P HA 0.383 nan 4.420 nan 0.000 0.267 96 P C 0.805 178.086 177.300 -0.032 0.000 1.200 96 P CA 0.095 63.183 63.100 -0.020 0.000 0.772 96 P CB 0.679 32.376 31.700 -0.005 0.000 0.855 97 V N 1.489 121.386 119.914 -0.029 0.000 3.051 97 V HA 0.172 4.289 4.120 -0.006 0.000 0.306 97 V C 0.326 176.412 176.094 -0.013 0.000 1.083 97 V CA -0.592 61.686 62.300 -0.037 0.000 1.104 97 V CB -0.268 31.538 31.823 -0.028 0.000 1.027 97 V HN 0.250 nan 8.190 nan 0.000 0.483 98 L N 2.425 123.636 121.223 -0.020 0.000 2.467 98 L HA 0.272 4.608 4.340 -0.006 0.000 0.270 98 L C 0.611 177.499 176.870 0.031 0.000 1.205 98 L CA -0.254 54.586 54.840 0.000 0.000 0.828 98 L CB 0.270 42.319 42.059 -0.017 0.000 1.101 98 L HN 1.028 nan 8.230 nan 0.000 0.479 99 D N -0.203 120.232 120.400 0.057 0.000 2.368 99 D HA -0.114 4.522 4.640 -0.006 0.000 0.240 99 D C 0.716 177.104 176.300 0.147 0.000 1.169 99 D CA -0.433 53.634 54.000 0.111 0.000 0.906 99 D CB 0.537 41.408 40.800 0.119 0.000 1.187 99 D HN 0.540 nan 8.370 nan 0.000 0.435 100 W N 1.389 122.693 121.300 0.006 0.000 2.290 100 W HA -0.317 4.341 4.660 -0.004 0.000 0.328 100 W C 2.191 178.704 176.519 -0.010 0.000 1.272 100 W CA 2.806 60.154 57.345 0.005 0.000 1.262 100 W CB -0.840 28.625 29.460 0.008 0.000 1.151 100 W HN 0.454 nan 8.180 nan 0.000 0.473 101 T N -0.328 114.356 114.554 0.216 0.000 2.746 101 T HA -0.208 4.138 4.350 -0.006 0.000 0.267 101 T C 1.559 176.179 174.700 -0.133 0.000 1.039 101 T CA 2.293 64.368 62.100 -0.041 0.000 1.142 101 T CB -0.870 68.066 68.868 0.113 0.000 0.866 101 T HN 0.197 nan 8.240 nan 0.000 0.444 102 T N 1.908 116.441 114.554 -0.034 0.000 2.821 102 T HA 0.037 4.384 4.350 -0.006 0.000 0.267 102 T C 2.418 177.068 174.700 -0.083 0.000 1.046 102 T CA 1.045 63.124 62.100 -0.036 0.000 1.139 102 T CB -0.488 68.388 68.868 0.014 0.000 0.871 102 T HN 0.425 nan 8.240 nan 0.000 0.454 103 A N 1.771 124.529 122.820 -0.104 0.000 1.933 103 A HA -0.100 4.217 4.320 -0.006 0.000 0.218 103 A C 2.369 179.845 177.584 -0.180 0.000 1.175 103 A CA 1.334 53.297 52.037 -0.123 0.000 0.628 103 A CB -0.431 18.500 19.000 -0.115 0.000 0.814 103 A HN 0.405 nan 8.150 nan 0.000 0.444 104 R N -0.606 119.719 120.500 -0.291 0.000 2.115 104 R HA 0.044 4.381 4.340 -0.006 0.000 0.226 104 R C 2.394 178.560 176.300 -0.224 0.000 1.100 104 R CA 0.974 56.879 56.100 -0.325 0.000 0.980 104 R CB -0.380 29.581 30.300 -0.565 0.000 0.875 104 R HN 0.495 nan 8.270 nan 0.000 0.445 105 A N 1.157 123.863 122.820 -0.191 0.000 1.972 105 A HA -0.178 4.139 4.320 -0.006 0.000 0.219 105 A C 2.104 179.631 177.584 -0.094 0.000 1.169 105 A CA 1.240 53.199 52.037 -0.131 0.000 0.635 105 A CB -0.421 18.524 19.000 -0.091 0.000 0.810 105 A HN 0.318 nan 8.150 nan 0.000 0.446 106 M N -0.304 119.242 119.600 -0.089 0.000 2.099 106 M HA -0.112 4.364 4.480 -0.006 0.000 0.262 106 M C 1.870 178.128 176.300 -0.069 0.000 1.067 106 M CA 1.931 57.191 55.300 -0.066 0.000 1.124 106 M CB -0.218 32.346 32.600 -0.060 0.000 1.353 106 M HN 0.185 nan 8.290 nan 0.000 0.410 107 V N 1.144 121.006 119.914 -0.086 0.000 2.332 107 V HA -0.274 3.842 4.120 -0.006 0.000 0.248 107 V C 2.420 178.471 176.094 -0.071 0.000 1.055 107 V CA 1.717 63.972 62.300 -0.076 0.000 1.038 107 V CB -0.973 30.797 31.823 -0.087 0.000 0.651 107 V HN 0.587 nan 8.190 nan 0.000 0.450 108 L N 0.937 122.109 121.223 -0.086 0.000 2.056 108 L HA -0.037 4.299 4.340 -0.006 0.000 0.207 108 L C 2.443 179.275 176.870 -0.063 0.000 1.078 108 L CA 2.324 57.117 54.840 -0.078 0.000 0.749 108 L CB -0.996 41.007 42.059 -0.094 0.000 0.901 108 L HN 0.204 nan 8.230 nan 0.000 0.433 109 A N -0.367 122.417 122.820 -0.060 0.000 1.902 109 A HA -0.258 4.059 4.320 -0.006 0.000 0.217 109 A C 2.465 180.024 177.584 -0.041 0.000 1.181 109 A CA 1.825 53.832 52.037 -0.050 0.000 0.623 109 A CB -0.610 18.364 19.000 -0.044 0.000 0.818 109 A HN 0.485 nan 8.150 nan 0.000 0.443 110 R N -0.620 119.857 120.500 -0.038 0.000 2.075 110 R HA -0.079 4.257 4.340 -0.006 0.000 0.232 110 R C 1.943 178.228 176.300 -0.026 0.000 1.126 110 R CA 1.587 57.670 56.100 -0.028 0.000 0.963 110 R CB -0.679 29.604 30.300 -0.029 0.000 0.858 110 R HN 0.442 nan 8.270 nan 0.000 0.435 111 L N -0.127 121.076 121.223 -0.034 0.000 2.017 111 L HA -0.102 4.234 4.340 -0.006 0.000 0.208 111 L C 1.934 178.786 176.870 -0.030 0.000 1.073 111 L CA 1.654 56.475 54.840 -0.031 0.000 0.745 111 L CB -0.520 41.516 42.059 -0.038 0.000 0.894 111 L HN 0.075 nan 8.230 nan 0.000 0.432 112 V N -0.984 118.907 119.914 -0.038 0.000 2.343 112 V HA -0.278 3.838 4.120 -0.006 0.000 0.247 112 V C 2.772 178.849 176.094 -0.028 0.000 1.051 112 V CA 1.803 64.079 62.300 -0.039 0.000 1.036 112 V CB -0.922 30.867 31.823 -0.056 0.000 0.654 112 V HN 0.648 nan 8.190 nan 0.000 0.451 113 S N -0.240 115.445 115.700 -0.025 0.000 2.359 113 S HA -0.168 4.298 4.470 -0.006 0.000 0.224 113 S C 1.928 176.524 174.600 -0.006 0.000 1.035 113 S CA 1.820 60.010 58.200 -0.017 0.000 1.018 113 S CB -0.367 62.825 63.200 -0.014 0.000 0.876 113 S HN 0.528 nan 8.310 nan 0.000 0.448 114 I N 1.627 122.195 120.570 -0.003 0.000 2.286 114 I HA -0.146 4.021 4.170 -0.006 0.000 0.248 114 I C 2.629 178.748 176.117 0.004 0.000 1.115 114 I CA 1.046 62.349 61.300 0.006 0.000 1.392 114 I CB -0.465 37.536 38.000 0.001 0.000 1.065 114 I HN 0.376 nan 8.210 nan 0.000 0.418 115 A N -0.007 122.810 122.820 -0.005 0.000 2.178 115 A HA -0.171 4.146 4.320 -0.006 0.000 0.218 115 A C 2.046 179.631 177.584 0.002 0.000 1.157 115 A CA 1.036 53.070 52.037 -0.005 0.000 0.689 115 A CB -0.287 18.706 19.000 -0.012 0.000 0.787 115 A HN 0.386 nan 8.150 nan 0.000 0.465 116 Q N -1.071 118.731 119.800 0.004 0.000 2.435 116 Q HA 0.088 4.424 4.340 -0.006 0.000 0.207 116 Q C 1.216 177.226 176.000 0.016 0.000 0.956 116 Q CA 0.746 56.554 55.803 0.008 0.000 0.917 116 Q CB -0.530 28.210 28.738 0.004 0.000 0.997 116 Q HN 1.009 nan 8.270 nan 0.000 0.497 117 G N 0.582 109.395 108.800 0.022 0.000 2.256 117 G HA2 -0.201 3.756 3.960 -0.006 0.000 0.272 117 G HA3 -0.201 3.756 3.960 -0.006 0.000 0.272 117 G C 0.449 175.384 174.900 0.059 0.000 1.076 117 G CA 0.430 45.550 45.100 0.033 0.000 0.882 117 G HN 0.520 nan 8.290 nan 0.000 0.497 118 A N -1.075 121.791 122.820 0.075 0.000 2.635 118 A HA 0.718 5.035 4.320 -0.006 0.000 0.279 118 A C 1.614 179.312 177.584 0.190 0.000 1.122 118 A CA 1.343 53.449 52.037 0.115 0.000 0.965 118 A CB 0.304 19.330 19.000 0.043 0.000 1.221 118 A HN 0.789 nan 8.150 nan 0.000 0.566 119 S N -1.101 114.711 115.700 0.187 0.000 2.512 119 S HA 0.367 4.834 4.470 -0.006 0.000 0.216 119 S C 1.514 176.297 174.600 0.304 0.000 1.006 119 S CA 0.667 59.005 58.200 0.231 0.000 0.915 119 S CB 0.450 63.717 63.200 0.110 0.000 0.824 119 S HN 1.669 nan 8.310 nan 0.000 0.497 120 G N 1.976 110.883 108.800 0.179 0.000 2.155 120 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.257 120 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.257 120 G C 0.230 175.126 174.900 -0.008 0.000 0.983 120 G CA 0.054 45.155 45.100 0.003 0.000 0.676 120 G HN 0.899 nan 8.290 nan 0.000 0.528 121 A N 0.395 123.226 122.820 0.018 0.000 2.511 121 A HA 0.606 4.923 4.320 -0.006 0.000 0.242 121 A C 1.172 178.713 177.584 -0.072 0.000 1.069 121 A CA 1.027 53.054 52.037 -0.015 0.000 0.763 121 A CB 0.197 19.193 19.000 -0.005 0.000 1.001 121 A HN 2.046 nan 8.150 nan 0.000 0.498 122 S N 1.716 117.336 115.700 -0.134 0.000 2.600 122 S HA 0.164 4.631 4.470 -0.006 0.000 0.265 122 S C 0.754 175.245 174.600 -0.181 0.000 1.325 122 S CA 0.162 58.207 58.200 -0.259 0.000 1.002 122 S CB 0.695 63.531 63.200 -0.605 0.000 0.921 122 S HN 0.721 nan 8.310 nan 0.000 0.554 123 E N 1.445 121.538 120.200 -0.178 0.000 2.118 123 E HA -0.103 4.244 4.350 -0.006 0.000 0.195 123 E C 2.129 178.675 176.600 -0.090 0.000 0.992 123 E CA 1.140 57.477 56.400 -0.105 0.000 0.804 123 E CB -0.749 28.901 29.700 -0.082 0.000 0.741 123 E HN 0.905 nan 8.360 nan 0.000 0.458 124 G N 0.526 109.256 108.800 -0.118 0.000 2.418 124 G HA2 -0.264 3.692 3.960 -0.006 0.000 0.217 124 G HA3 -0.264 3.692 3.960 -0.006 0.000 0.217 124 G C 1.630 176.503 174.900 -0.046 0.000 1.158 124 G CA 1.282 46.344 45.100 -0.064 0.000 0.771 124 G HN 0.191 nan 8.290 nan 0.000 0.545 125 T N 1.311 115.827 114.554 -0.063 0.000 2.746 125 T HA -0.045 4.301 4.350 -0.006 0.000 0.267 125 T C 2.378 177.060 174.700 -0.029 0.000 1.039 125 T CA 0.955 63.033 62.100 -0.035 0.000 1.142 125 T CB -0.141 68.705 68.868 -0.037 0.000 0.866 125 T HN 0.250 nan 8.240 nan 0.000 0.444 126 I N 1.240 121.787 120.570 -0.039 0.000 2.252 126 I HA -0.154 4.013 4.170 -0.006 0.000 0.245 126 I C 2.907 179.009 176.117 -0.025 0.000 1.102 126 I CA 0.996 62.277 61.300 -0.031 0.000 1.385 126 I CB -0.462 37.518 38.000 -0.034 0.000 1.064 126 I HN 0.187 nan 8.210 nan 0.000 0.414 127 A N 0.867 123.672 122.820 -0.026 0.000 1.933 127 A HA -0.190 4.127 4.320 -0.006 0.000 0.218 127 A C 2.342 179.919 177.584 -0.011 0.000 1.175 127 A CA 1.330 53.356 52.037 -0.019 0.000 0.628 127 A CB -0.416 18.574 19.000 -0.018 0.000 0.814 127 A HN 0.253 nan 8.150 nan 0.000 0.444 128 R N -0.218 120.278 120.500 -0.007 0.000 2.096 128 R HA -0.045 4.291 4.340 -0.006 0.000 0.235 128 R C 2.045 178.348 176.300 0.006 0.000 1.127 128 R CA 1.242 57.346 56.100 0.006 0.000 0.968 128 R CB -1.033 29.276 30.300 0.015 0.000 0.861 128 R HN 0.602 nan 8.270 nan 0.000 0.440 129 L N 0.171 121.391 121.223 -0.006 0.000 2.056 129 L HA -0.092 4.244 4.340 -0.006 0.000 0.207 129 L C 2.493 179.351 176.870 -0.021 0.000 1.078 129 L CA 1.099 55.930 54.840 -0.014 0.000 0.749 129 L CB -0.442 41.604 42.059 -0.022 0.000 0.901 129 L HN 0.069 nan 8.230 nan 0.000 0.433 130 I N -0.099 120.458 120.570 -0.021 0.000 2.252 130 I HA -0.276 3.891 4.170 -0.006 0.000 0.245 130 I C 2.098 178.203 176.117 -0.020 0.000 1.102 130 I CA 1.143 62.429 61.300 -0.023 0.000 1.385 130 I CB -0.404 37.583 38.000 -0.021 0.000 1.064 130 I HN 0.262 nan 8.210 nan 0.000 0.414 131 D N 0.812 121.204 120.400 -0.014 0.000 2.117 131 D HA -0.173 4.464 4.640 -0.006 0.000 0.197 131 D C 2.137 178.429 176.300 -0.013 0.000 0.987 131 D CA 0.944 54.936 54.000 -0.013 0.000 0.829 131 D CB -0.310 40.483 40.800 -0.011 0.000 0.961 131 D HN 0.167 nan 8.370 nan 0.000 0.460 132 L N 0.819 122.039 121.223 -0.005 0.000 1.994 132 L HA -0.130 4.207 4.340 -0.006 0.000 0.208 132 L C 2.157 179.009 176.870 -0.030 0.000 1.071 132 L CA 1.385 56.226 54.840 0.003 0.000 0.745 132 L CB -0.917 41.162 42.059 0.032 0.000 0.892 132 L HN 0.084 nan 8.230 nan 0.000 0.431 133 L N 0.204 121.398 121.223 -0.049 0.000 2.191 133 L HA -0.210 4.126 4.340 -0.006 0.000 0.212 133 L C 1.884 178.727 176.870 -0.045 0.000 1.103 133 L CA 0.924 55.718 54.840 -0.077 0.000 0.769 133 L CB -0.567 41.446 42.059 -0.077 0.000 0.908 133 L HN 0.378 nan 8.230 nan 0.000 0.438 134 N N -0.518 118.169 118.700 -0.021 0.000 2.398 134 N HA -0.015 4.722 4.740 -0.006 0.000 0.188 134 N C 0.873 176.392 175.510 0.015 0.000 1.122 134 N CA 0.366 53.414 53.050 -0.002 0.000 0.866 134 N CB 0.140 38.624 38.487 -0.006 0.000 0.970 134 N HN 0.344 nan 8.380 nan 0.000 0.462 135 S N -0.136 115.574 115.700 0.017 0.000 2.694 135 S HA 0.303 4.770 4.470 -0.006 0.000 0.278 135 S C 0.719 175.388 174.600 0.115 0.000 1.152 135 S CA -0.475 57.747 58.200 0.037 0.000 1.010 135 S CB 1.402 64.604 63.200 0.002 0.000 1.104 135 S HN -0.073 nan 8.310 nan 0.000 0.547 136 E N 0.054 120.346 120.200 0.154 0.000 2.451 136 E HA 0.365 4.711 4.350 -0.006 0.000 0.194 136 E C -0.216 176.676 176.600 0.486 0.000 1.027 136 E CA -0.020 56.562 56.400 0.303 0.000 0.914 136 E CB -0.139 29.645 29.700 0.141 0.000 1.054 136 E HN 0.495 nan 8.360 nan 0.000 0.461 137 L N -0.186 121.235 121.223 0.329 0.000 2.298 137 L HA 0.777 5.114 4.340 -0.006 0.000 0.268 137 L C -0.078 176.887 176.870 0.158 0.000 1.010 137 L CA -1.107 53.948 54.840 0.358 0.000 0.812 137 L CB 1.593 43.735 42.059 0.137 0.000 1.331 137 L HN -0.163 nan 8.230 nan 0.000 0.450 138 A N 0.758 123.693 122.820 0.190 0.000 2.549 138 A HA 0.804 5.121 4.320 -0.006 0.000 0.297 138 A C -2.837 174.826 177.584 0.133 0.000 1.061 138 A CA -1.347 50.664 52.037 -0.044 0.000 0.690 138 A CB 1.865 20.628 19.000 -0.396 0.000 1.287 138 A HN 0.355 nan 8.150 nan 0.000 0.402 139 P HA 0.387 nan 4.420 nan 0.000 0.275 139 P C -0.327 176.891 177.300 -0.138 0.000 1.228 139 P CA 0.060 63.032 63.100 -0.212 0.000 0.786 139 P CB 1.281 32.850 31.700 -0.219 0.000 0.927 140 A N 3.307 126.021 122.820 -0.177 0.000 2.391 140 A HA 0.456 4.773 4.320 -0.006 0.000 0.316 140 A C -0.181 177.335 177.584 -0.113 0.000 1.381 140 A CA -0.408 51.575 52.037 -0.090 0.000 0.998 140 A CB -0.342 18.621 19.000 -0.060 0.000 1.147 140 A HN 0.353 nan 8.150 nan 0.000 0.545 141 V N 5.294 125.145 119.914 -0.104 0.000 2.495 141 V HA 0.343 4.460 4.120 -0.006 0.000 0.298 141 V C -2.391 173.598 176.094 -0.176 0.000 1.031 141 V CA -1.875 60.340 62.300 -0.141 0.000 0.871 141 V CB 1.937 33.705 31.823 -0.091 0.000 0.988 141 V HN 0.700 nan 8.190 nan 0.000 0.432 142 P HA 0.083 nan 4.420 nan 0.000 0.268 142 P C 0.739 177.948 177.300 -0.152 0.000 1.205 142 P CA 0.125 63.076 63.100 -0.248 0.000 0.771 142 P CB 0.656 32.122 31.700 -0.391 0.000 0.858 143 S N 2.751 118.398 115.700 -0.089 0.000 2.446 143 S HA 0.045 4.512 4.470 -0.006 0.000 0.225 143 S C 0.693 175.271 174.600 -0.037 0.000 1.016 143 S CA 0.342 58.512 58.200 -0.050 0.000 0.943 143 S CB -0.078 63.107 63.200 -0.026 0.000 0.786 143 S HN 0.325 nan 8.310 nan 0.000 0.508 144 R N -0.052 120.422 120.500 -0.043 0.000 2.668 144 R HA 0.628 4.965 4.340 -0.006 0.000 0.279 144 R C 0.803 177.092 176.300 -0.018 0.000 0.976 144 R CA 0.023 56.110 56.100 -0.022 0.000 0.978 144 R CB 1.472 31.762 30.300 -0.016 0.000 1.133 144 R HN 0.348 nan 8.270 nan 0.000 0.484 145 G N 0.189 108.990 108.800 0.001 0.000 3.006 145 G HA2 -0.209 3.748 3.960 -0.006 0.000 0.195 145 G HA3 -0.209 3.748 3.960 -0.006 0.000 0.195 145 G C 0.073 174.985 174.900 0.021 0.000 1.034 145 G CA -0.103 45.007 45.100 0.017 0.000 0.807 145 G HN 0.600 nan 8.290 nan 0.000 0.469 146 T N 0.853 115.416 114.554 0.015 0.000 2.907 146 T HA 0.522 4.868 4.350 -0.006 0.000 0.284 146 T C 1.430 176.143 174.700 0.021 0.000 1.004 146 T CA 0.464 62.572 62.100 0.014 0.000 1.063 146 T CB 1.624 70.496 68.868 0.006 0.000 0.992 146 T HN 1.154 nan 8.240 nan 0.000 0.483 147 V N 1.401 121.330 119.914 0.024 0.000 3.444 147 V HA 0.590 4.707 4.120 -0.006 0.000 0.308 147 V C 1.160 177.280 176.094 0.043 0.000 1.371 147 V CA 0.184 62.505 62.300 0.036 0.000 1.141 147 V CB -1.371 30.475 31.823 0.039 0.000 1.037 147 V HN 1.353 nan 8.190 nan 0.000 0.433 153 L N -0.305 120.874 121.223 -0.072 0.000 2.046 153 L HA -0.128 4.209 4.340 -0.006 0.000 0.208 153 L C 2.400 179.206 176.870 -0.107 0.000 1.077 153 L CA 1.405 56.177 54.840 -0.114 0.000 0.747 153 L CB -0.577 41.387 42.059 -0.158 0.000 0.896 153 L HN 0.100 nan 8.230 nan 0.000 0.432 154 T N 0.566 115.085 114.554 -0.059 0.000 2.622 154 T HA -0.104 4.242 4.350 -0.006 0.000 0.266 154 T C -0.420 174.334 174.700 0.090 0.000 1.047 154 T CA 1.851 63.950 62.100 -0.001 0.000 1.159 154 T CB -1.208 67.685 68.868 0.042 0.000 0.863 154 T HN 0.310 nan 8.240 nan 0.000 0.422 155 P HA 0.004 nan 4.420 nan 0.000 0.218 155 P C 1.582 178.901 177.300 0.031 0.000 1.149 155 P CA 1.019 64.150 63.100 0.053 0.000 0.817 155 P CB -0.233 31.464 31.700 -0.004 0.000 0.785 156 L N -0.738 120.474 121.223 -0.018 0.000 2.156 156 L HA -0.068 4.269 4.340 -0.006 0.000 0.208 156 L C 2.780 179.606 176.870 -0.074 0.000 1.095 156 L CA 1.221 56.034 54.840 -0.046 0.000 0.770 156 L CB -0.990 41.034 42.059 -0.059 0.000 0.914 156 L HN -0.053 nan 8.230 nan 0.000 0.439 157 A N -0.885 121.868 122.820 -0.110 0.000 1.898 157 A HA -0.215 4.102 4.320 -0.006 0.000 0.216 157 A C 2.116 179.588 177.584 -0.188 0.000 1.181 157 A CA 1.232 53.151 52.037 -0.197 0.000 0.620 157 A CB -0.705 18.116 19.000 -0.298 0.000 0.819 157 A HN 0.400 nan 8.150 nan 0.000 0.442 158 H N -1.229 117.777 119.070 -0.108 0.000 2.423 158 H HA -0.087 4.465 4.556 -0.007 0.000 0.297 158 H C 2.080 177.334 175.328 -0.123 0.000 1.075 158 H CA 1.697 57.684 56.048 -0.102 0.000 1.342 158 H CB -0.215 29.491 29.762 -0.092 0.000 1.395 158 H HN 0.589 nan 8.280 nan 0.000 0.530 159 M N 0.571 120.166 119.600 -0.008 0.000 2.086 159 M HA -0.151 4.326 4.480 -0.006 0.000 0.261 159 M C 2.130 178.381 176.300 -0.081 0.000 1.067 159 M CA 1.288 56.548 55.300 -0.066 0.000 1.116 159 M CB -0.120 32.446 32.600 -0.057 0.000 1.348 159 M HN -0.005 nan 8.290 nan 0.000 0.407 160 V N 1.410 121.278 119.914 -0.076 0.000 2.287 160 V HA -0.316 3.801 4.120 -0.006 0.000 0.248 160 V C 2.458 178.512 176.094 -0.066 0.000 1.053 160 V CA 1.908 64.166 62.300 -0.070 0.000 1.027 160 V CB -0.818 30.950 31.823 -0.092 0.000 0.646 160 V HN 0.549 nan 8.190 nan 0.000 0.447 161 L N -0.849 120.324 121.223 -0.083 0.000 2.042 161 L HA -0.241 4.096 4.340 -0.006 0.000 0.210 161 L C 2.652 179.477 176.870 -0.075 0.000 1.076 161 L CA 1.694 56.496 54.840 -0.063 0.000 0.749 161 L CB -0.814 41.203 42.059 -0.070 0.000 0.893 161 L HN 0.410 nan 8.230 nan 0.000 0.432 162 C N -0.161 119.047 119.300 -0.153 0.000 2.432 162 C HA -0.141 4.316 4.460 -0.006 0.000 0.277 162 C C 2.688 177.571 174.990 -0.179 0.000 1.249 162 C CA 0.395 59.203 59.018 -0.350 0.000 1.725 162 C CB -0.830 26.547 27.740 -0.604 0.000 2.028 162 C HN 0.442 nan 8.230 nan 0.000 0.477 163 L N 0.367 121.566 121.223 -0.040 0.000 2.353 163 L HA -0.170 4.166 4.340 -0.006 0.000 0.220 163 L C 2.425 179.369 176.870 0.124 0.000 1.133 163 L CA 1.279 56.196 54.840 0.128 0.000 0.798 163 L CB -0.632 41.466 42.059 0.065 0.000 0.922 163 L HN 0.532 nan 8.230 nan 0.000 0.445 164 Q N -0.439 119.401 119.800 0.067 0.000 2.360 164 Q HA 0.117 4.453 4.340 -0.006 0.000 0.202 164 Q C 1.352 177.405 176.000 0.088 0.000 0.915 164 Q CA 0.516 56.356 55.803 0.062 0.000 0.943 164 Q CB 0.622 29.377 28.738 0.028 0.000 1.064 164 Q HN 0.551 nan 8.270 nan 0.000 0.511 165 G N 1.782 110.664 108.800 0.136 0.000 2.141 165 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.242 165 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.242 165 G C 0.492 175.453 174.900 0.100 0.000 0.982 165 G CA 0.035 45.237 45.100 0.170 0.000 0.662 165 G HN 0.310 nan 8.290 nan 0.000 0.527 166 R N 0.094 120.625 120.500 0.051 0.000 2.552 166 R HA 0.485 4.821 4.340 -0.006 0.000 0.314 166 R C 0.942 177.240 176.300 -0.002 0.000 1.041 166 R CA 0.477 56.594 56.100 0.029 0.000 1.076 166 R CB 0.831 31.149 30.300 0.030 0.000 1.290 166 R HN 0.546 nan 8.270 nan 0.000 0.563 167 G N -0.274 108.505 108.800 -0.035 0.000 2.698 167 G HA2 0.224 4.181 3.960 -0.006 0.000 0.293 167 G HA3 0.224 4.181 3.960 -0.006 0.000 0.293 167 G C -1.515 173.296 174.900 -0.149 0.000 1.437 167 G CA -0.685 44.363 45.100 -0.087 0.000 0.852 167 G HN -0.113 nan 8.290 nan 0.000 0.499 168 D N -0.464 119.868 120.400 -0.113 0.000 2.360 168 D HA 0.571 5.208 4.640 -0.006 0.000 0.242 168 D C -0.456 175.710 176.300 -0.224 0.000 1.184 168 D CA 0.586 54.550 54.000 -0.060 0.000 0.930 168 D CB 0.826 41.626 40.800 -0.000 0.000 1.161 168 D HN 0.103 nan 8.370 nan 0.000 0.447 169 F N -0.553 119.421 119.950 0.040 0.000 2.598 169 F HA 0.535 5.059 4.527 -0.005 0.000 0.327 169 F C -0.202 175.643 175.800 0.076 0.000 1.057 169 F CA -0.889 57.142 58.000 0.052 0.000 0.957 169 F CB 1.190 40.221 39.000 0.053 0.000 1.278 169 F HN -0.059 nan 8.300 nan 0.000 0.484 170 L N 1.612 123.039 121.223 0.341 0.000 2.381 170 L HA 0.441 4.778 4.340 -0.006 0.000 0.268 170 L C -0.930 176.167 176.870 0.378 0.000 0.997 170 L CA -1.047 53.969 54.840 0.293 0.000 0.818 170 L CB 1.905 44.137 42.059 0.288 0.000 1.310 170 L HN 0.595 nan 8.230 nan 0.000 0.416 171 D N 1.274 121.803 120.400 0.214 0.000 2.466 171 D HA 0.215 4.852 4.640 -0.006 0.000 0.262 171 D C 0.777 176.950 176.300 -0.212 0.000 1.177 171 D CA -0.607 53.448 54.000 0.092 0.000 1.035 171 D CB 0.923 41.725 40.800 0.003 0.000 1.105 171 D HN 0.355 nan 8.370 nan 0.000 0.551 172 R N -0.608 119.511 120.500 -0.635 0.000 2.139 172 R HA -0.109 4.227 4.340 -0.006 0.000 0.243 172 R C 0.881 176.864 176.300 -0.528 0.000 1.145 172 R CA 1.532 56.942 56.100 -1.149 0.000 0.976 172 R CB -0.146 29.587 30.300 -0.945 0.000 0.866 172 R HN 0.519 nan 8.270 nan 0.000 0.449 173 D N -1.146 119.092 120.400 -0.271 0.000 2.349 173 D HA 0.031 4.667 4.640 -0.006 0.000 0.224 173 D C 1.207 177.473 176.300 -0.056 0.000 1.029 173 D CA 1.055 54.974 54.000 -0.135 0.000 0.879 173 D CB 0.622 41.367 40.800 -0.092 0.000 0.906 173 D HN 0.473 nan 8.370 nan 0.000 0.528 174 G N 1.484 110.271 108.800 -0.022 0.000 2.176 174 G HA2 -0.287 3.670 3.960 -0.006 0.000 0.253 174 G HA3 -0.287 3.670 3.960 -0.006 0.000 0.253 174 G C 0.695 175.623 174.900 0.047 0.000 0.979 174 G CA 0.567 45.696 45.100 0.048 0.000 0.641 174 G HN 0.456 nan 8.290 nan 0.000 0.530 175 T N -1.105 113.464 114.554 0.025 0.000 2.888 175 T HA 0.511 4.857 4.350 -0.006 0.000 0.301 175 T C 0.392 175.128 174.700 0.060 0.000 1.001 175 T CA 0.115 62.233 62.100 0.030 0.000 1.147 175 T CB 1.607 70.483 68.868 0.012 0.000 0.931 175 T HN 0.574 nan 8.240 nan 0.000 0.541 176 R N 2.568 123.103 120.500 0.058 0.000 2.357 176 R HA 0.609 4.946 4.340 -0.006 0.000 0.296 176 R C -0.592 175.758 176.300 0.084 0.000 1.052 176 R CA -0.584 55.562 56.100 0.077 0.000 0.988 176 R CB 0.428 30.762 30.300 0.056 0.000 1.025 176 R HN 0.718 nan 8.270 nan 0.000 0.469 177 L N 2.695 123.992 121.223 0.125 0.000 2.341 177 L HA 0.405 4.741 4.340 -0.006 0.000 0.267 177 L C -0.485 176.479 176.870 0.157 0.000 1.009 177 L CA -1.277 53.640 54.840 0.128 0.000 0.819 177 L CB 2.034 44.179 42.059 0.143 0.000 1.323 177 L HN 0.744 nan 8.230 nan 0.000 0.425 178 D N 0.557 121.032 120.400 0.125 0.000 2.358 178 D HA 0.176 4.812 4.640 -0.006 0.000 0.244 178 D C 1.228 177.652 176.300 0.206 0.000 1.163 178 D CA -0.121 53.955 54.000 0.126 0.000 0.945 178 D CB 1.059 41.908 40.800 0.080 0.000 1.152 178 D HN 0.570 nan 8.370 nan 0.000 0.451 179 G N 0.240 109.156 108.800 0.192 0.000 2.529 179 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.219 179 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.219 179 G C 1.498 176.543 174.900 0.241 0.000 1.177 179 G CA 1.701 46.968 45.100 0.279 0.000 0.773 179 G HN 0.709 nan 8.290 nan 0.000 0.573 180 A N 0.709 123.607 122.820 0.131 0.000 1.883 180 A HA -0.071 4.246 4.320 -0.006 0.000 0.217 180 A C 2.222 179.833 177.584 0.046 0.000 1.186 180 A CA 2.356 54.440 52.037 0.078 0.000 0.624 180 A CB -0.483 18.549 19.000 0.053 0.000 0.822 180 A HN 0.453 nan 8.150 nan 0.000 0.444 181 E N 0.100 120.332 120.200 0.053 0.000 2.150 181 E HA -0.016 4.331 4.350 -0.006 0.000 0.193 181 E C 1.907 178.482 176.600 -0.041 0.000 0.985 181 E CA 1.499 57.909 56.400 0.017 0.000 0.814 181 E CB -0.776 28.945 29.700 0.036 0.000 0.752 181 E HN 0.396 nan 8.360 nan 0.000 0.466 182 G N 0.811 109.587 108.800 -0.041 0.000 2.421 182 G HA2 -0.216 3.741 3.960 -0.006 0.000 0.216 182 G HA3 -0.216 3.741 3.960 -0.006 0.000 0.216 182 G C 1.586 176.142 174.900 -0.574 0.000 1.171 182 G CA 0.926 45.772 45.100 -0.423 0.000 0.775 182 G HN 0.311 nan 8.290 nan 0.000 0.543 183 L N -0.247 120.777 121.223 -0.331 0.000 2.083 183 L HA -0.037 4.300 4.340 -0.006 0.000 0.209 183 L C 2.942 179.727 176.870 -0.141 0.000 1.083 183 L CA 1.168 55.883 54.840 -0.208 0.000 0.752 183 L CB -0.404 41.631 42.059 -0.041 0.000 0.899 183 L HN 0.187 nan 8.230 nan 0.000 0.433 184 R N 0.509 120.950 120.500 -0.098 0.000 2.061 184 R HA -0.171 4.166 4.340 -0.006 0.000 0.230 184 R C 2.531 178.785 176.300 -0.076 0.000 1.140 184 R CA 1.538 57.599 56.100 -0.064 0.000 0.940 184 R CB -0.179 30.099 30.300 -0.036 0.000 0.839 184 R HN 0.170 nan 8.270 nan 0.000 0.429 185 R N -0.471 119.975 120.500 -0.089 0.000 2.091 185 R HA -0.101 4.236 4.340 -0.006 0.000 0.238 185 R C 1.928 178.173 176.300 -0.090 0.000 1.136 185 R CA 1.842 57.896 56.100 -0.076 0.000 0.959 185 R CB -0.506 29.753 30.300 -0.068 0.000 0.856 185 R HN 0.405 nan 8.270 nan 0.000 0.437 186 G N -0.365 108.345 108.800 -0.150 0.000 2.920 186 G HA2 -0.079 3.878 3.960 -0.006 0.000 0.208 186 G HA3 -0.079 3.878 3.960 -0.006 0.000 0.208 186 G C -0.128 174.713 174.900 -0.099 0.000 1.159 186 G CA -0.289 44.728 45.100 -0.137 0.000 0.784 186 G HN 0.252 nan 8.290 nan 0.000 0.535 187 R N -1.061 119.386 120.500 -0.087 0.000 3.336 187 R HA -0.135 4.202 4.340 -0.006 0.000 0.260 187 R C -0.379 175.886 176.300 -0.057 0.000 1.032 187 R CA 0.516 56.581 56.100 -0.058 0.000 0.693 187 R CB -2.600 27.677 30.300 -0.038 0.000 1.134 187 R HN 0.408 nan 8.270 nan 0.000 0.433 188 L N 0.590 121.766 121.223 -0.079 0.000 2.334 188 L HA 0.388 4.724 4.340 -0.006 0.000 0.272 188 L C 0.888 177.741 176.870 -0.028 0.000 1.020 188 L CA -0.912 53.894 54.840 -0.058 0.000 0.812 188 L CB 1.307 43.311 42.059 -0.091 0.000 1.264 188 L HN -0.074 nan 8.230 nan 0.000 0.439 189 Q N 2.253 122.049 119.800 -0.006 0.000 2.230 189 Q HA 0.396 4.733 4.340 -0.006 0.000 0.253 189 Q C -2.341 173.676 176.000 0.027 0.000 0.919 189 Q CA -1.927 53.881 55.803 0.008 0.000 0.908 189 Q CB 1.523 30.266 28.738 0.009 0.000 1.245 189 Q HN 0.299 nan 8.270 nan 0.000 0.437 190 P HA 0.016 nan 4.420 nan 0.000 0.271 190 P C -0.283 177.043 177.300 0.044 0.000 1.216 190 P CA -0.526 62.604 63.100 0.051 0.000 0.771 190 P CB 0.591 32.318 31.700 0.045 0.000 0.864 191 L N 3.263 124.515 121.223 0.049 0.000 2.462 191 L HA 0.189 4.526 4.340 -0.006 0.000 0.272 191 L C -0.113 176.776 176.870 0.032 0.000 1.166 191 L CA 0.608 55.469 54.840 0.036 0.000 0.880 191 L CB -0.558 41.519 42.059 0.030 0.000 1.142 191 L HN 0.309 nan 8.230 nan 0.000 0.473 192 D N 4.398 124.820 120.400 0.038 0.000 2.425 192 D HA 0.269 4.906 4.640 -0.006 0.000 0.240 192 D C -0.199 176.141 176.300 0.066 0.000 1.080 192 D CA -0.207 53.821 54.000 0.047 0.000 0.836 192 D CB 0.825 41.660 40.800 0.057 0.000 1.125 192 D HN 0.609 nan 8.370 nan 0.000 0.525 193 L N 3.212 124.463 121.223 0.046 0.000 2.912 193 L HA 0.134 4.470 4.340 -0.006 0.000 0.240 193 L C 1.819 178.725 176.870 0.060 0.000 1.262 193 L CA -0.162 54.711 54.840 0.056 0.000 1.058 193 L CB -0.180 41.889 42.059 0.017 0.000 1.383 193 L HN 0.406 nan 8.230 nan 0.000 0.512 194 S N -2.076 113.658 115.700 0.056 0.000 2.419 194 S HA -0.212 4.254 4.470 -0.006 0.000 0.233 194 S C 1.459 176.011 174.600 -0.080 0.000 1.016 194 S CA 0.966 59.147 58.200 -0.031 0.000 0.974 194 S CB -0.457 62.688 63.200 -0.092 0.000 0.786 194 S HN 0.536 nan 8.310 nan 0.000 0.492 195 H N 1.673 120.738 119.070 -0.009 0.000 2.556 195 H HA 0.343 4.896 4.556 -0.006 0.000 0.268 195 H C 0.542 175.863 175.328 -0.011 0.000 0.996 195 H CA 0.408 56.448 56.048 -0.014 0.000 1.157 195 H CB -0.172 29.579 29.762 -0.018 0.000 1.355 195 H HN 0.366 nan 8.280 nan 0.000 0.597 196 R N 0.833 121.385 120.500 0.087 0.000 3.531 196 R HA -0.133 4.204 4.340 -0.006 0.000 0.280 196 R C -0.805 175.543 176.300 0.081 0.000 1.130 196 R CA 0.850 56.989 56.100 0.065 0.000 0.757 196 R CB -1.885 28.442 30.300 0.044 0.000 1.218 196 R HN 0.540 nan 8.270 nan 0.000 0.454 197 D N -0.933 119.518 120.400 0.085 0.000 2.615 197 D HA 0.246 4.883 4.640 -0.006 0.000 0.236 197 D C 1.216 177.555 176.300 0.064 0.000 1.233 197 D CA 0.304 54.350 54.000 0.077 0.000 0.829 197 D CB 0.374 41.205 40.800 0.050 0.000 1.024 197 D HN 0.289 nan 8.370 nan 0.000 0.490 198 A N 0.452 123.305 122.820 0.056 0.000 1.933 198 A HA -0.121 4.196 4.320 -0.006 0.000 0.218 198 A C 1.947 179.544 177.584 0.022 0.000 1.175 198 A CA 0.780 52.829 52.037 0.019 0.000 0.628 198 A CB -0.500 18.498 19.000 -0.003 0.000 0.814 198 A HN 0.280 nan 8.150 nan 0.000 0.444 199 L N -0.611 120.657 121.223 0.075 0.000 2.450 199 L HA -0.067 4.270 4.340 -0.006 0.000 0.224 199 L C 2.696 179.614 176.870 0.079 0.000 1.149 199 L CA 1.333 56.228 54.840 0.091 0.000 0.816 199 L CB -0.532 41.634 42.059 0.178 0.000 0.932 199 L HN 0.400 nan 8.230 nan 0.000 0.449 200 A N -1.392 121.475 122.820 0.077 0.000 2.067 200 A HA 0.015 4.332 4.320 -0.006 0.000 0.217 200 A C 2.139 179.737 177.584 0.024 0.000 1.156 200 A CA 1.014 53.090 52.037 0.064 0.000 0.683 200 A CB -0.256 18.783 19.000 0.065 0.000 0.808 200 A HN 0.398 nan 8.150 nan 0.000 0.455 201 L N -1.120 120.106 121.223 0.005 0.000 2.388 201 L HA 0.121 4.458 4.340 -0.006 0.000 0.209 201 L C 0.048 176.895 176.870 -0.038 0.000 1.061 201 L CA 0.234 55.062 54.840 -0.019 0.000 0.834 201 L CB 0.266 42.307 42.059 -0.029 0.000 1.029 201 L HN 0.043 nan 8.230 nan 0.000 0.473 202 V N 2.075 121.958 119.914 -0.053 0.000 2.247 202 V HA 0.380 4.496 4.120 -0.006 0.000 0.262 202 V C -0.472 175.590 176.094 -0.054 0.000 1.096 202 V CA -0.208 62.038 62.300 -0.088 0.000 0.895 202 V CB -0.166 31.558 31.823 -0.165 0.000 1.141 202 V HN 0.339 nan 8.190 nan 0.000 0.478 203 N N 2.142 120.824 118.700 -0.030 0.000 3.545 203 N HA 0.482 5.218 4.740 -0.006 0.000 0.227 203 N C -0.139 175.385 175.510 0.024 0.000 1.380 203 N CA 0.589 53.642 53.050 0.005 0.000 0.892 203 N CB 2.166 40.676 38.487 0.039 0.000 1.441 203 N HN 0.807 nan 8.380 nan 0.000 0.497 204 G N -0.039 108.807 108.800 0.075 0.000 2.698 204 G HA2 -0.228 3.729 3.960 -0.006 0.000 0.233 204 G HA3 -0.228 3.729 3.960 -0.006 0.000 0.233 204 G C 0.169 175.108 174.900 0.066 0.000 1.352 204 G CA 0.429 45.578 45.100 0.083 0.000 0.879 204 G HN 1.237 nan 8.290 nan 0.000 0.567 205 T N -2.998 111.583 114.554 0.045 0.000 3.269 205 T HA 0.573 4.920 4.350 -0.006 0.000 0.269 205 T C 1.784 176.487 174.700 0.005 0.000 0.993 205 T CA 0.941 63.059 62.100 0.031 0.000 0.909 205 T CB 0.467 69.352 68.868 0.029 0.000 1.115 205 T HN 0.824 nan 8.240 nan 0.000 0.543 206 S N 1.684 117.382 115.700 -0.003 0.000 2.370 206 S HA -0.065 4.402 4.470 -0.006 0.000 0.226 206 S C 2.482 177.071 174.600 -0.019 0.000 1.033 206 S CA 1.277 59.467 58.200 -0.017 0.000 1.011 206 S CB -0.591 62.595 63.200 -0.023 0.000 0.852 206 S HN 0.833 nan 8.310 nan 0.000 0.457 207 A N 2.686 125.497 122.820 -0.014 0.000 1.855 207 A HA -0.107 4.210 4.320 -0.006 0.000 0.215 207 A C 2.283 179.865 177.584 -0.002 0.000 1.191 207 A CA 1.829 53.858 52.037 -0.013 0.000 0.613 207 A CB -0.819 18.175 19.000 -0.011 0.000 0.829 207 A HN 0.665 nan 8.150 nan 0.000 0.442 208 M N -1.533 118.070 119.600 0.006 0.000 2.213 208 M HA -0.084 4.392 4.480 -0.006 0.000 0.263 208 M C 1.787 178.092 176.300 0.009 0.000 1.062 208 M CA 2.273 57.582 55.300 0.014 0.000 1.105 208 M CB -1.273 31.338 32.600 0.018 0.000 1.385 208 M HN 0.165 nan 8.290 nan 0.000 0.417 209 T N 1.186 115.737 114.554 -0.006 0.000 2.777 209 T HA 0.012 4.358 4.350 -0.006 0.000 0.266 209 T C 1.978 176.675 174.700 -0.005 0.000 1.040 209 T CA 1.642 63.731 62.100 -0.017 0.000 1.141 209 T CB -0.733 68.117 68.868 -0.030 0.000 0.868 209 T HN 0.715 nan 8.240 nan 0.000 0.444 210 G N 1.373 110.167 108.800 -0.010 0.000 2.421 210 G HA2 -0.131 3.826 3.960 -0.006 0.000 0.216 210 G HA3 -0.131 3.826 3.960 -0.006 0.000 0.216 210 G C 1.529 176.440 174.900 0.018 0.000 1.171 210 G CA 0.515 45.608 45.100 -0.011 0.000 0.775 210 G HN 0.485 nan 8.290 nan 0.000 0.543 211 I N 1.456 122.042 120.570 0.026 0.000 2.163 211 I HA -0.195 3.971 4.170 -0.006 0.000 0.243 211 I C 3.288 179.456 176.117 0.085 0.000 1.085 211 I CA 1.081 62.412 61.300 0.051 0.000 1.347 211 I CB -0.238 37.789 38.000 0.045 0.000 1.044 211 I HN 0.241 nan 8.210 nan 0.000 0.408 212 A N 1.253 124.127 122.820 0.089 0.000 1.933 212 A HA -0.174 4.143 4.320 -0.006 0.000 0.218 212 A C 2.247 179.941 177.584 0.184 0.000 1.175 212 A CA 1.808 53.939 52.037 0.156 0.000 0.628 212 A CB -0.801 18.262 19.000 0.104 0.000 0.814 212 A HN 0.521 nan 8.150 nan 0.000 0.444 213 L N -1.978 119.315 121.223 0.118 0.000 2.217 213 L HA 0.024 4.361 4.340 -0.006 0.000 0.211 213 L C 1.947 178.928 176.870 0.185 0.000 1.107 213 L CA 1.561 56.480 54.840 0.131 0.000 0.783 213 L CB -1.027 41.076 42.059 0.073 0.000 0.919 213 L HN 0.001 nan 8.230 nan 0.000 0.442 214 V N 0.801 120.821 119.914 0.176 0.000 2.453 214 V HA -0.158 3.959 4.120 -0.006 0.000 0.247 214 V C 2.462 178.676 176.094 0.200 0.000 1.048 214 V CA 1.650 64.092 62.300 0.238 0.000 1.049 214 V CB -0.934 30.993 31.823 0.173 0.000 0.672 214 V HN 0.500 nan 8.190 nan 0.000 0.457 215 N N 0.931 119.721 118.700 0.151 0.000 2.084 215 N HA -0.136 4.601 4.740 -0.006 0.000 0.190 215 N C 1.925 177.474 175.510 0.066 0.000 1.030 215 N CA 1.748 54.861 53.050 0.105 0.000 0.849 215 N CB -0.587 37.950 38.487 0.082 0.000 1.012 215 N HN 0.471 nan 8.380 nan 0.000 0.423 216 A N 0.293 123.169 122.820 0.093 0.000 1.908 216 A HA -0.221 4.095 4.320 -0.006 0.000 0.218 216 A C 2.123 179.717 177.584 0.016 0.000 1.181 216 A CA 1.937 54.006 52.037 0.053 0.000 0.627 216 A CB -0.968 18.129 19.000 0.162 0.000 0.818 216 A HN 0.469 nan 8.150 nan 0.000 0.445 217 H N -0.213 118.821 119.070 -0.060 0.000 2.321 217 H HA 0.045 4.597 4.556 -0.006 0.000 0.300 217 H C 2.237 177.474 175.328 -0.152 0.000 1.087 217 H CA 2.021 57.947 56.048 -0.203 0.000 1.319 217 H CB -0.276 29.231 29.762 -0.424 0.000 1.379 217 H HN 0.394 nan 8.280 nan 0.000 0.501 218 A N -0.296 122.539 122.820 0.026 0.000 1.902 218 A HA -0.196 4.120 4.320 -0.006 0.000 0.217 218 A C 2.739 180.304 177.584 -0.031 0.000 1.181 218 A CA 1.547 53.605 52.037 0.035 0.000 0.623 218 A CB -1.264 17.795 19.000 0.098 0.000 0.818 218 A HN 0.654 nan 8.150 nan 0.000 0.443 219 C N -1.310 117.990 119.300 -0.001 0.000 2.422 219 C HA -0.053 4.404 4.460 -0.006 0.000 0.279 219 C C 2.798 177.763 174.990 -0.042 0.000 1.305 219 C CA 1.194 60.251 59.018 0.065 0.000 1.757 219 C CB -1.358 26.452 27.740 0.116 0.000 1.962 219 C HN 0.734 nan 8.230 nan 0.000 0.499 220 R N -0.149 120.232 120.500 -0.199 0.000 2.073 220 R HA -0.133 4.204 4.340 -0.006 0.000 0.234 220 R C 2.261 178.367 176.300 -0.322 0.000 1.134 220 R CA 1.580 57.487 56.100 -0.321 0.000 0.952 220 R CB -0.426 29.588 30.300 -0.477 0.000 0.850 220 R HN 0.601 nan 8.270 nan 0.000 0.433 221 H N 0.527 119.462 119.070 -0.225 0.000 2.357 221 H HA -0.085 4.468 4.556 -0.005 0.000 0.301 221 H C 2.171 177.484 175.328 -0.024 0.000 1.082 221 H CA 1.642 57.607 56.048 -0.139 0.000 1.342 221 H CB -0.201 29.483 29.762 -0.131 0.000 1.389 221 H HN 0.248 nan 8.280 nan 0.000 0.511 222 L N -0.243 120.947 121.223 -0.055 0.000 2.131 222 L HA -0.073 4.264 4.340 -0.006 0.000 0.210 222 L C 2.750 179.453 176.870 -0.278 0.000 1.092 222 L CA 1.009 55.630 54.840 -0.365 0.000 0.759 222 L CB -0.759 40.676 42.059 -1.040 0.000 0.903 222 L HN 0.291 nan 8.230 nan 0.000 0.435 223 G N -0.023 108.743 108.800 -0.057 0.000 2.422 223 G HA2 -0.249 3.707 3.960 -0.006 0.000 0.218 223 G HA3 -0.249 3.707 3.960 -0.006 0.000 0.218 223 G C 1.406 176.386 174.900 0.134 0.000 1.146 223 G CA 0.517 45.761 45.100 0.239 0.000 0.769 223 G HN 0.311 nan 8.290 nan 0.000 0.547 224 N N 0.087 118.763 118.700 -0.042 0.000 2.188 224 N HA -0.085 4.651 4.740 -0.006 0.000 0.184 224 N C 1.849 177.271 175.510 -0.147 0.000 1.018 224 N CA 0.852 53.823 53.050 -0.131 0.000 0.858 224 N CB -0.325 38.026 38.487 -0.227 0.000 0.989 224 N HN 0.577 nan 8.380 nan 0.000 0.426 225 W N 1.615 122.872 121.300 -0.073 0.000 2.418 225 W HA 0.071 4.728 4.660 -0.006 0.000 0.292 225 W C 2.498 178.997 176.519 -0.033 0.000 1.213 225 W CA 1.073 58.374 57.345 -0.075 0.000 1.283 225 W CB -0.394 28.978 29.460 -0.146 0.000 1.119 225 W HN 0.029 nan 8.180 nan 0.000 0.542 226 A N -0.112 122.835 122.820 0.211 0.000 1.908 226 A HA -0.184 4.133 4.320 -0.006 0.000 0.218 226 A C 1.994 179.670 177.584 0.153 0.000 1.181 226 A CA 2.198 54.376 52.037 0.235 0.000 0.627 226 A CB -1.111 18.126 19.000 0.396 0.000 0.818 226 A HN 0.092 nan 8.150 nan 0.000 0.445 227 V N -0.293 119.697 119.914 0.126 0.000 2.270 227 V HA -0.208 3.909 4.120 -0.006 0.000 0.245 227 V C 3.074 179.155 176.094 -0.021 0.000 1.043 227 V CA 1.911 64.227 62.300 0.027 0.000 1.014 227 V CB -1.248 30.597 31.823 0.037 0.000 0.645 227 V HN 0.613 nan 8.190 nan 0.000 0.447 228 A N -0.242 122.558 122.820 -0.033 0.000 1.908 228 A HA -0.155 4.162 4.320 -0.006 0.000 0.218 228 A C 2.188 179.795 177.584 0.038 0.000 1.181 228 A CA 1.815 53.823 52.037 -0.050 0.000 0.627 228 A CB -0.532 18.357 19.000 -0.185 0.000 0.818 228 A HN 0.520 nan 8.150 nan 0.000 0.445 229 L N -1.090 120.195 121.223 0.104 0.000 2.156 229 L HA -0.096 4.241 4.340 -0.006 0.000 0.208 229 L C 2.647 179.582 176.870 0.108 0.000 1.095 229 L CA 1.475 56.393 54.840 0.129 0.000 0.770 229 L CB -0.860 41.299 42.059 0.166 0.000 0.914 229 L HN 0.312 nan 8.230 nan 0.000 0.439 230 T N 0.174 114.783 114.554 0.092 0.000 2.821 230 T HA -0.127 4.219 4.350 -0.006 0.000 0.267 230 T C 2.060 176.869 174.700 0.182 0.000 1.046 230 T CA 1.309 63.473 62.100 0.108 0.000 1.139 230 T CB -0.117 68.764 68.868 0.022 0.000 0.871 230 T HN 0.430 nan 8.240 nan 0.000 0.454 231 A N 1.214 124.107 122.820 0.122 0.000 1.898 231 A HA 0.014 4.330 4.320 -0.006 0.000 0.216 231 A C 2.204 179.910 177.584 0.202 0.000 1.181 231 A CA 1.146 53.320 52.037 0.227 0.000 0.620 231 A CB -0.768 18.299 19.000 0.111 0.000 0.819 231 A HN 0.397 nan 8.150 nan 0.000 0.442 232 L N -0.748 120.551 121.223 0.127 0.000 2.141 232 L HA -0.066 4.271 4.340 -0.006 0.000 0.209 232 L C 2.197 179.124 176.870 0.095 0.000 1.094 232 L CA 1.697 56.596 54.840 0.097 0.000 0.763 232 L CB -0.609 41.497 42.059 0.078 0.000 0.908 232 L HN 0.382 nan 8.230 nan 0.000 0.437 233 L N -0.128 121.162 121.223 0.112 0.000 2.042 233 L HA -0.121 4.216 4.340 -0.006 0.000 0.210 233 L C 2.489 179.418 176.870 0.097 0.000 1.076 233 L CA 2.090 56.987 54.840 0.095 0.000 0.749 233 L CB -1.029 41.096 42.059 0.110 0.000 0.893 233 L HN 0.254 nan 8.230 nan 0.000 0.432 234 A N -0.781 122.131 122.820 0.152 0.000 1.933 234 A HA -0.216 4.101 4.320 -0.006 0.000 0.218 234 A C 2.127 179.736 177.584 0.041 0.000 1.175 234 A CA 1.833 53.926 52.037 0.092 0.000 0.628 234 A CB -0.620 18.455 19.000 0.126 0.000 0.814 234 A HN 0.654 nan 8.150 nan 0.000 0.444 235 E N -1.146 119.092 120.200 0.064 0.000 2.274 235 E HA -0.106 4.241 4.350 -0.006 0.000 0.194 235 E C 1.626 178.241 176.600 0.025 0.000 0.996 235 E CA 0.880 57.303 56.400 0.039 0.000 0.840 235 E CB -0.234 29.496 29.700 0.050 0.000 0.772 235 E HN 0.683 nan 8.360 nan 0.000 0.491 236 C N 0.054 119.370 119.300 0.028 0.000 2.590 236 C HA 0.161 4.617 4.460 -0.006 0.000 0.272 236 C C 1.760 176.753 174.990 0.005 0.000 1.338 236 C CA 0.021 59.048 59.018 0.014 0.000 1.746 236 C CB -0.200 27.547 27.740 0.012 0.000 2.020 236 C HN 0.320 nan 8.230 nan 0.000 0.531 237 L N -0.148 121.079 121.223 0.007 0.000 3.066 237 L HA 0.289 4.626 4.340 -0.006 0.000 0.265 237 L C 0.398 177.260 176.870 -0.014 0.000 1.232 237 L CA -0.056 54.783 54.840 -0.003 0.000 1.031 237 L CB -0.273 41.788 42.059 0.004 0.000 1.379 237 L HN 0.223 nan 8.230 nan 0.000 0.563 238 R N 0.760 121.250 120.500 -0.017 0.000 3.333 238 R HA -0.149 4.187 4.340 -0.006 0.000 0.256 238 R C 0.696 176.963 176.300 -0.056 0.000 1.010 238 R CA 0.413 56.495 56.100 -0.029 0.000 0.680 238 R CB -1.823 28.463 30.300 -0.024 0.000 1.102 238 R HN 0.512 nan 8.270 nan 0.000 0.440 239 G N 0.587 109.341 108.800 -0.077 0.000 2.554 239 G HA2 0.183 4.139 3.960 -0.006 0.000 0.238 239 G HA3 0.183 4.139 3.960 -0.006 0.000 0.238 239 G C -0.005 174.755 174.900 -0.233 0.000 1.259 239 G CA -0.540 44.469 45.100 -0.151 0.000 0.843 239 G HN 0.241 nan 8.290 nan 0.000 0.582 240 R N 0.503 120.829 120.500 -0.290 0.000 2.207 240 R HA 0.237 4.573 4.340 -0.006 0.000 0.334 240 R C 1.516 177.508 176.300 -0.513 0.000 1.013 240 R CA 0.148 56.072 56.100 -0.293 0.000 0.858 240 R CB 0.956 31.143 30.300 -0.187 0.000 1.094 240 R HN 0.704 nan 8.270 nan 0.000 0.457 241 T N -1.163 113.138 114.554 -0.423 0.000 3.085 241 T HA -0.130 4.216 4.350 -0.006 0.000 0.263 241 T C 1.398 175.948 174.700 -0.251 0.000 1.127 241 T CA 0.893 62.724 62.100 -0.448 0.000 1.103 241 T CB -0.028 68.726 68.868 -0.191 0.000 0.921 241 T HN 0.737 nan 8.240 nan 0.000 0.510 242 E N 1.674 121.767 120.200 -0.179 0.000 2.265 242 E HA 0.003 4.350 4.350 -0.006 0.000 0.196 242 E C 2.191 178.760 176.600 -0.052 0.000 0.996 242 E CA 0.874 57.226 56.400 -0.080 0.000 0.832 242 E CB -0.532 29.136 29.700 -0.054 0.000 0.756 242 E HN 0.615 nan 8.360 nan 0.000 0.491 243 A N 0.792 123.535 122.820 -0.130 0.000 2.119 243 A HA -0.069 4.248 4.320 -0.006 0.000 0.217 243 A C 0.948 178.668 177.584 0.227 0.000 1.153 243 A CA 0.558 52.589 52.037 -0.010 0.000 0.692 243 A CB -0.562 18.400 19.000 -0.063 0.000 0.799 243 A HN 0.479 nan 8.150 nan 0.000 0.458 244 W N -0.157 121.143 121.300 0.000 0.000 3.223 244 W HA 0.605 5.262 4.660 -0.005 0.000 0.389 244 W C 0.789 177.310 176.519 0.002 0.000 1.118 244 W CA -1.123 56.223 57.345 0.002 0.000 1.902 244 W CB -1.382 28.082 29.460 0.007 0.000 1.094 244 W HN 0.343 nan 8.180 nan 0.000 0.666 245 A N 0.861 123.790 122.820 0.182 0.000 2.498 245 A HA 0.427 4.743 4.320 -0.006 0.000 0.239 245 A C 1.677 179.314 177.584 0.088 0.000 1.068 245 A CA 0.712 52.812 52.037 0.105 0.000 0.766 245 A CB 0.585 19.619 19.000 0.057 0.000 1.003 245 A HN 0.263 nan 8.150 nan 0.000 0.497 246 A N 2.499 125.359 122.820 0.066 0.000 1.972 246 A HA 0.129 4.446 4.320 -0.006 0.000 0.219 246 A C 2.347 179.952 177.584 0.035 0.000 1.169 246 A CA 2.198 54.264 52.037 0.048 0.000 0.635 246 A CB -0.906 18.116 19.000 0.037 0.000 0.810 246 A HN 1.728 nan 8.150 nan 0.000 0.446 247 A N -0.215 122.623 122.820 0.031 0.000 1.940 247 A HA -0.072 4.244 4.320 -0.006 0.000 0.219 247 A C 2.146 179.743 177.584 0.021 0.000 1.176 247 A CA 1.520 53.569 52.037 0.021 0.000 0.631 247 A CB -0.540 18.470 19.000 0.016 0.000 0.814 247 A HN 0.491 nan 8.150 nan 0.000 0.446 248 L N -0.582 120.660 121.223 0.031 0.000 2.056 248 L HA -0.148 4.189 4.340 -0.006 0.000 0.207 248 L C 2.862 179.748 176.870 0.027 0.000 1.078 248 L CA 1.415 56.273 54.840 0.030 0.000 0.749 248 L CB -0.449 41.637 42.059 0.046 0.000 0.901 248 L HN 0.336 nan 8.230 nan 0.000 0.433 249 S N -0.236 115.485 115.700 0.035 0.000 2.370 249 S HA -0.194 4.272 4.470 -0.006 0.000 0.226 249 S C 1.497 176.103 174.600 0.010 0.000 1.033 249 S CA 1.446 59.663 58.200 0.029 0.000 1.011 249 S CB -0.335 62.887 63.200 0.035 0.000 0.852 249 S HN 0.451 nan 8.310 nan 0.000 0.457 250 D N 1.402 121.806 120.400 0.008 0.000 2.218 250 D HA -0.014 4.623 4.640 -0.006 0.000 0.204 250 D C 1.705 177.995 176.300 -0.017 0.000 0.976 250 D CA 0.665 54.662 54.000 -0.005 0.000 0.853 250 D CB -0.269 40.531 40.800 -0.000 0.000 0.939 250 D HN 0.342 nan 8.370 nan 0.000 0.481 251 L N -0.512 120.704 121.223 -0.012 0.000 2.291 251 L HA 0.024 4.361 4.340 -0.006 0.000 0.214 251 L C 1.525 178.373 176.870 -0.037 0.000 1.120 251 L CA 0.495 55.323 54.840 -0.020 0.000 0.799 251 L CB 0.158 42.212 42.059 -0.009 0.000 0.925 251 L HN -0.178 nan 8.230 nan 0.000 0.446 252 R N 0.762 121.237 120.500 -0.041 0.000 2.644 252 R HA 0.188 4.525 4.340 -0.006 0.000 0.271 252 R C -2.203 174.029 176.300 -0.113 0.000 1.687 252 R CA -1.337 54.715 56.100 -0.080 0.000 1.655 252 R CB 0.894 31.187 30.300 -0.011 0.000 1.285 252 R HN -0.151 nan 8.270 nan 0.000 0.643 253 P HA -0.088 nan 4.420 nan 0.000 0.297 253 P C -0.667 176.559 177.300 -0.123 0.000 1.544 253 P CA 0.260 63.294 63.100 -0.110 0.000 0.798 253 P CB -0.346 31.301 31.700 -0.089 0.000 1.757 254 H N 0.842 119.912 119.070 0.001 0.000 2.848 254 H HA 0.089 4.642 4.556 -0.006 0.000 0.317 254 H C -1.309 174.031 175.328 0.020 0.000 1.046 254 H CA -1.489 54.562 56.048 0.005 0.000 1.470 254 H CB 0.521 30.280 29.762 -0.004 0.000 1.483 254 H HN 0.089 nan 8.280 nan 0.000 0.548 255 P HA -0.163 nan 4.420 nan 0.000 0.215 255 P C 1.650 179.024 177.300 0.124 0.000 1.157 255 P CA 1.736 64.898 63.100 0.104 0.000 0.874 255 P CB 0.104 31.859 31.700 0.092 0.000 0.790 256 G N -0.482 108.409 108.800 0.152 0.000 2.422 256 G HA2 -0.307 3.650 3.960 -0.006 0.000 0.218 256 G HA3 -0.307 3.650 3.960 -0.006 0.000 0.218 256 G C 1.674 176.671 174.900 0.162 0.000 1.146 256 G CA 0.750 45.971 45.100 0.202 0.000 0.769 256 G HN 0.329 nan 8.290 nan 0.000 0.547 257 Q N 0.100 119.960 119.800 0.101 0.000 2.049 257 Q HA -0.057 4.279 4.340 -0.006 0.000 0.198 257 Q C 2.472 178.504 176.000 0.053 0.000 0.971 257 Q CA 1.515 57.347 55.803 0.049 0.000 0.833 257 Q CB -0.205 28.578 28.738 0.075 0.000 0.896 257 Q HN 0.503 nan 8.270 nan 0.000 0.434 258 K N 0.136 120.578 120.400 0.070 0.000 2.063 258 K HA -0.234 4.083 4.320 -0.006 0.000 0.208 258 K C 1.646 178.277 176.600 0.052 0.000 1.048 258 K CA 1.883 58.201 56.287 0.051 0.000 0.928 258 K CB -0.157 32.371 32.500 0.046 0.000 0.713 258 K HN 0.198 nan 8.250 nan 0.000 0.442 259 D N -0.130 120.318 120.400 0.079 0.000 2.117 259 D HA -0.085 4.551 4.640 -0.006 0.000 0.198 259 D C 1.708 178.069 176.300 0.102 0.000 0.982 259 D CA 1.435 55.484 54.000 0.082 0.000 0.828 259 D CB -0.050 40.809 40.800 0.098 0.000 0.967 259 D HN 0.322 nan 8.370 nan 0.000 0.464 260 A N 0.618 123.532 122.820 0.157 0.000 1.877 260 A HA -0.001 4.315 4.320 -0.006 0.000 0.216 260 A C 2.400 179.939 177.584 -0.076 0.000 1.186 260 A CA 2.428 54.527 52.037 0.104 0.000 0.620 260 A CB -1.188 17.780 19.000 -0.053 0.000 0.822 260 A HN 0.318 nan 8.150 nan 0.000 0.443 261 A N -0.241 122.531 122.820 -0.080 0.000 1.902 261 A HA 0.151 4.467 4.320 -0.006 0.000 0.217 261 A C 2.514 180.074 177.584 -0.039 0.000 1.181 261 A CA 2.190 54.167 52.037 -0.100 0.000 0.623 261 A CB -1.036 17.965 19.000 0.002 0.000 0.818 261 A HN 1.092 nan 8.150 nan 0.000 0.443 262 A N -0.240 122.578 122.820 -0.003 0.000 1.902 262 A HA -0.157 4.160 4.320 -0.006 0.000 0.217 262 A C 2.235 179.814 177.584 -0.008 0.000 1.181 262 A CA 1.609 53.652 52.037 0.010 0.000 0.623 262 A CB -0.425 18.583 19.000 0.013 0.000 0.818 262 A HN 0.548 nan 8.150 nan 0.000 0.443 263 R N -0.633 119.850 120.500 -0.028 0.000 2.092 263 R HA 0.048 4.385 4.340 -0.006 0.000 0.231 263 R C 2.001 178.254 176.300 -0.077 0.000 1.119 263 R CA 1.204 57.278 56.100 -0.044 0.000 0.970 263 R CB -0.427 29.854 30.300 -0.032 0.000 0.864 263 R HN 0.497 nan 8.270 nan 0.000 0.440 264 L N 0.158 121.282 121.223 -0.165 0.000 2.056 264 L HA -0.152 4.185 4.340 -0.006 0.000 0.207 264 L C 2.506 179.375 176.870 -0.001 0.000 1.078 264 L CA 1.388 56.050 54.840 -0.298 0.000 0.749 264 L CB -0.305 41.197 42.059 -0.928 0.000 0.901 264 L HN 0.141 nan 8.230 nan 0.000 0.433 265 R N -0.155 120.397 120.500 0.087 0.000 2.081 265 R HA -0.128 4.208 4.340 -0.006 0.000 0.235 265 R C 2.402 178.763 176.300 0.102 0.000 1.131 265 R CA 1.309 57.515 56.100 0.176 0.000 0.960 265 R CB -0.494 29.889 30.300 0.139 0.000 0.856 265 R HN 0.350 nan 8.270 nan 0.000 0.436 266 A N 1.286 124.134 122.820 0.047 0.000 1.933 266 A HA -0.131 4.185 4.320 -0.006 0.000 0.218 266 A C 2.025 179.624 177.584 0.025 0.000 1.175 266 A CA 1.034 53.086 52.037 0.025 0.000 0.628 266 A CB -0.231 18.768 19.000 -0.001 0.000 0.814 266 A HN 0.092 nan 8.150 nan 0.000 0.444 267 R N -0.171 120.342 120.500 0.021 0.000 2.096 267 R HA -0.105 4.231 4.340 -0.006 0.000 0.235 267 R C 1.870 178.207 176.300 0.062 0.000 1.127 267 R CA 1.723 57.836 56.100 0.021 0.000 0.968 267 R CB -1.251 29.051 30.300 0.004 0.000 0.861 267 R HN 0.659 nan 8.270 nan 0.000 0.440 268 V N -0.935 119.048 119.914 0.114 0.000 3.596 268 V HA 0.117 4.233 4.120 -0.006 0.000 0.289 268 V C 0.209 176.349 176.094 0.077 0.000 1.336 268 V CA -0.624 61.747 62.300 0.118 0.000 1.137 268 V CB -0.524 31.413 31.823 0.191 0.000 0.966 268 V HN -0.089 nan 8.190 nan 0.000 0.428 269 D N 1.449 121.885 120.400 0.060 0.000 2.458 269 D HA 0.412 5.049 4.640 -0.006 0.000 0.243 269 D C 1.463 177.779 176.300 0.027 0.000 1.146 269 D CA 1.926 55.949 54.000 0.039 0.000 0.877 269 D CB 0.595 41.412 40.800 0.029 0.000 1.176 269 D HN 0.553 nan 8.370 nan 0.000 0.461 270 G N 2.370 111.181 108.800 0.020 0.000 2.176 270 G HA2 -0.269 3.687 3.960 -0.006 0.000 0.253 270 G HA3 -0.269 3.687 3.960 -0.006 0.000 0.253 270 G C 0.473 175.382 174.900 0.016 0.000 0.979 270 G CA 0.359 45.468 45.100 0.014 0.000 0.641 270 G HN 0.795 nan 8.290 nan 0.000 0.530 271 S N 0.153 115.866 115.700 0.022 0.000 2.565 271 S HA 0.653 5.120 4.470 -0.006 0.000 0.276 271 S C 1.237 175.844 174.600 0.012 0.000 1.326 271 S CA 0.821 59.034 58.200 0.021 0.000 1.045 271 S CB 1.295 64.514 63.200 0.032 0.000 0.918 271 S HN 1.616 nan 8.310 nan 0.000 0.505 272 A N 5.199 128.027 122.820 0.012 0.000 2.470 272 A HA 0.340 4.657 4.320 -0.006 0.000 0.251 272 A C 1.680 179.270 177.584 0.010 0.000 1.245 272 A CA -0.362 51.681 52.037 0.010 0.000 0.932 272 A CB 0.104 19.110 19.000 0.011 0.000 1.037 272 A HN 0.725 nan 8.150 nan 0.000 0.522 273 R N -0.130 120.376 120.500 0.009 0.000 2.290 273 R HA 0.119 4.455 4.340 -0.006 0.000 0.197 273 R C 0.726 177.024 176.300 -0.004 0.000 0.913 273 R CA 0.872 56.976 56.100 0.006 0.000 1.040 273 R CB -0.295 30.012 30.300 0.012 0.000 0.992 273 R HN 0.495 nan 8.270 nan 0.000 0.500 274 V N -1.571 118.336 119.914 -0.011 0.000 2.973 274 V HA 0.476 4.592 4.120 -0.006 0.000 0.314 274 V C 0.480 176.553 176.094 -0.036 0.000 1.066 274 V CA -0.952 61.323 62.300 -0.042 0.000 1.021 274 V CB 1.991 33.774 31.823 -0.066 0.000 1.076 274 V HN -0.266 nan 8.190 nan 0.000 0.462 275 V N 3.334 123.213 119.914 -0.058 0.000 2.383 275 V HA 0.452 4.568 4.120 -0.006 0.000 0.275 275 V C 1.020 177.088 176.094 -0.043 0.000 1.036 275 V CA -0.244 62.047 62.300 -0.015 0.000 0.889 275 V CB 0.731 32.544 31.823 -0.017 0.000 0.985 275 V HN 0.928 nan 8.190 nan 0.000 0.459 276 R N 1.603 122.086 120.500 -0.028 0.000 2.334 276 R HA 0.192 4.529 4.340 -0.006 0.000 0.212 276 R C -0.171 176.050 176.300 -0.132 0.000 0.897 276 R CA -0.173 55.865 56.100 -0.103 0.000 1.056 276 R CB 0.220 30.436 30.300 -0.141 0.000 1.046 276 R HN 0.721 nan 8.270 nan 0.000 0.513 277 H N 0.248 119.292 119.070 -0.044 0.000 2.848 277 H HA 0.079 4.632 4.556 -0.006 0.000 0.317 277 H C -0.235 175.071 175.328 -0.037 0.000 1.046 277 H CA -0.030 55.998 56.048 -0.034 0.000 1.470 277 H CB 0.958 30.703 29.762 -0.029 0.000 1.483 277 H HN -0.200 nan 8.280 nan 0.000 0.548 278 V N 6.308 126.259 119.914 0.062 0.000 2.439 278 V HA -0.069 4.048 4.120 -0.006 0.000 0.271 278 V C 1.842 177.964 176.094 0.047 0.000 1.040 278 V CA 0.238 62.556 62.300 0.030 0.000 1.002 278 V CB -0.228 31.602 31.823 0.012 0.000 1.000 278 V HN 0.812 nan 8.190 nan 0.000 0.477 279 I N 3.391 123.977 120.570 0.027 0.000 2.361 279 I HA -0.109 4.058 4.170 -0.006 0.000 0.251 279 I C 2.083 178.208 176.117 0.013 0.000 1.133 279 I CA 1.851 63.162 61.300 0.018 0.000 1.413 279 I CB -0.298 37.704 38.000 0.004 0.000 1.073 279 I HN 0.567 nan 8.210 nan 0.000 0.424 280 A N 1.027 123.854 122.820 0.012 0.000 2.172 280 A HA -0.094 4.222 4.320 -0.006 0.000 0.216 280 A C 2.135 179.726 177.584 0.012 0.000 1.154 280 A CA 1.073 53.116 52.037 0.009 0.000 0.701 280 A CB -0.505 18.500 19.000 0.007 0.000 0.789 280 A HN 0.500 nan 8.150 nan 0.000 0.465 281 E N 0.035 120.247 120.200 0.020 0.000 2.208 281 E HA -0.110 4.237 4.350 -0.006 0.000 0.193 281 E C 1.150 177.761 176.600 0.018 0.000 0.988 281 E CA 0.240 56.654 56.400 0.024 0.000 0.828 281 E CB -0.210 29.516 29.700 0.043 0.000 0.763 281 E HN 0.634 nan 8.360 nan 0.000 0.478 282 R N 1.733 122.240 120.500 0.012 0.000 2.401 282 R HA 0.075 4.412 4.340 -0.006 0.000 0.299 282 R C -0.355 175.944 176.300 -0.002 0.000 1.064 282 R CA -0.011 56.089 56.100 -0.000 0.000 1.000 282 R CB 0.422 30.715 30.300 -0.012 0.000 0.973 282 R HN -0.129 nan 8.270 nan 0.000 0.438 283 R N 5.335 125.833 120.500 -0.003 0.000 2.294 283 R HA 0.292 4.629 4.340 -0.006 0.000 0.319 283 R C -0.465 175.831 176.300 -0.006 0.000 0.984 283 R CA -0.612 55.486 56.100 -0.003 0.000 0.861 283 R CB 1.159 31.458 30.300 -0.001 0.000 1.104 283 R HN 0.474 nan 8.270 nan 0.000 0.451 284 L N 2.777 123.997 121.223 -0.006 0.000 2.357 284 L HA 0.340 4.677 4.340 -0.006 0.000 0.273 284 L C 0.179 177.045 176.870 -0.006 0.000 1.080 284 L CA -0.567 54.268 54.840 -0.007 0.000 0.803 284 L CB 0.895 42.950 42.059 -0.007 0.000 1.174 284 L HN 0.672 nan 8.230 nan 0.000 0.443 285 D N 0.889 121.285 120.400 -0.007 0.000 2.585 285 D HA 0.435 5.071 4.640 -0.006 0.000 0.254 285 D C 0.577 176.873 176.300 -0.006 0.000 1.067 285 D CA -0.395 53.601 54.000 -0.006 0.000 1.090 285 D CB 1.339 42.135 40.800 -0.006 0.000 1.408 285 D HN 0.424 nan 8.370 nan 0.000 0.554 286 A N -0.111 122.706 122.820 -0.005 0.000 1.986 286 A HA 0.007 4.324 4.320 -0.006 0.000 0.220 286 A C 1.982 179.562 177.584 -0.006 0.000 1.171 286 A CA 2.118 54.151 52.037 -0.005 0.000 0.640 286 A CB -1.550 17.448 19.000 -0.004 0.000 0.811 286 A HN 0.700 nan 8.150 nan 0.000 0.451 287 G N -1.175 107.621 108.800 -0.007 0.000 2.598 287 G HA2 -0.048 3.909 3.960 -0.006 0.000 0.215 287 G HA3 -0.048 3.909 3.960 -0.006 0.000 0.215 287 G C 0.847 175.741 174.900 -0.009 0.000 1.131 287 G CA 0.917 46.013 45.100 -0.008 0.000 0.785 287 G HN 0.519 nan 8.290 nan 0.000 0.539 288 D N 0.265 120.659 120.400 -0.010 0.000 2.354 288 D HA 0.051 4.687 4.640 -0.006 0.000 0.209 288 D C 0.823 177.117 176.300 -0.010 0.000 1.015 288 D CA -0.143 53.850 54.000 -0.011 0.000 0.867 288 D CB 0.628 41.420 40.800 -0.013 0.000 0.933 288 D HN 0.134 nan 8.370 nan 0.000 0.520 289 I N 1.801 122.366 120.570 -0.008 0.000 2.581 289 I HA 0.319 4.486 4.170 -0.006 0.000 0.285 289 I C 1.280 177.393 176.117 -0.007 0.000 1.129 289 I CA 0.679 61.975 61.300 -0.007 0.000 1.397 289 I CB 0.018 38.014 38.000 -0.006 0.000 1.399 289 I HN -0.047 nan 8.210 nan 0.000 0.537 290 G N 5.168 113.963 108.800 -0.008 0.000 2.323 290 G HA2 0.199 4.155 3.960 -0.006 0.000 0.291 290 G HA3 0.199 4.155 3.960 -0.006 0.000 0.291 290 G C -1.198 173.697 174.900 -0.008 0.000 1.278 290 G CA -0.680 44.415 45.100 -0.008 0.000 0.860 290 G HN 0.345 nan 8.290 nan 0.000 0.504 291 T N 1.934 116.483 114.554 -0.009 0.000 2.744 291 T HA 0.522 4.868 4.350 -0.006 0.000 0.291 291 T C -0.048 174.645 174.700 -0.011 0.000 0.957 291 T CA -0.151 61.943 62.100 -0.009 0.000 1.002 291 T CB 1.133 69.996 68.868 -0.008 0.000 0.919 291 T HN 0.422 nan 8.240 nan 0.000 0.468 292 E N 3.317 123.510 120.200 -0.012 0.000 2.283 292 E HA 0.197 4.544 4.350 -0.006 0.000 0.267 292 E C -1.305 175.286 176.600 -0.014 0.000 1.045 292 E CA -2.008 54.384 56.400 -0.014 0.000 0.884 292 E CB 0.722 30.413 29.700 -0.016 0.000 1.106 292 E HN 0.333 nan 8.360 nan 0.000 0.408 293 P HA -0.149 nan 4.420 nan 0.000 0.215 293 P C -0.451 176.839 177.300 -0.016 0.000 1.157 293 P CA 1.467 64.558 63.100 -0.015 0.000 0.874 293 P CB 0.301 31.991 31.700 -0.017 0.000 0.790 294 E N -1.658 118.531 120.200 -0.017 0.000 2.336 294 E HA 0.604 4.951 4.350 -0.006 0.000 0.267 294 E C -0.831 175.760 176.600 -0.015 0.000 0.906 294 E CA -1.136 55.255 56.400 -0.016 0.000 0.781 294 E CB 1.856 31.544 29.700 -0.018 0.000 1.261 294 E HN -0.055 nan 8.360 nan 0.000 0.436 295 A N 0.480 123.293 122.820 -0.012 0.000 2.366 295 A HA 0.430 4.747 4.320 -0.006 0.000 0.249 295 A C 1.142 178.721 177.584 -0.009 0.000 1.084 295 A CA 0.296 52.328 52.037 -0.008 0.000 0.794 295 A CB 0.139 19.137 19.000 -0.002 0.000 1.034 295 A HN 0.779 nan 8.150 nan 0.000 0.491 296 G N -0.600 108.197 108.800 -0.006 0.000 2.848 296 G HA2 0.284 4.241 3.960 -0.006 0.000 0.208 296 G HA3 0.284 4.241 3.960 -0.006 0.000 0.208 296 G C 0.429 175.324 174.900 -0.008 0.000 1.152 296 G CA 0.311 45.406 45.100 -0.009 0.000 0.789 296 G HN 0.713 nan 8.290 nan 0.000 0.531 297 Q N 0.134 119.934 119.800 0.001 0.000 2.423 297 Q HA 0.313 4.649 4.340 -0.006 0.000 0.278 297 Q C -1.477 174.534 176.000 0.017 0.000 1.097 297 Q CA -1.029 54.779 55.803 0.008 0.000 0.809 297 Q CB 2.073 30.832 28.738 0.035 0.000 1.391 297 Q HN 0.021 nan 8.270 nan 0.000 0.428 298 D N 0.703 121.112 120.400 0.015 0.000 2.383 298 D HA 0.376 5.012 4.640 -0.006 0.000 0.248 298 D C -0.133 176.224 176.300 0.095 0.000 1.170 298 D CA -0.094 53.925 54.000 0.030 0.000 0.977 298 D CB 0.916 41.720 40.800 0.006 0.000 1.120 298 D HN 0.627 nan 8.370 nan 0.000 0.481 299 A N 0.515 123.384 122.820 0.082 0.000 2.366 299 A HA -0.008 4.309 4.320 -0.006 0.000 0.250 299 A C 0.648 178.384 177.584 0.254 0.000 1.099 299 A CA -0.031 52.065 52.037 0.099 0.000 0.794 299 A CB -0.093 18.925 19.000 0.029 0.000 1.056 299 A HN 0.548 nan 8.150 nan 0.000 0.499 300 Y N 0.797 121.114 120.300 0.028 0.000 2.256 300 Y HA -0.190 4.357 4.550 -0.006 0.000 0.288 300 Y C 2.933 178.867 175.900 0.057 0.000 1.155 300 Y CA 1.563 59.687 58.100 0.039 0.000 1.203 300 Y CB -1.283 37.191 38.460 0.024 0.000 0.980 300 Y HN 0.735 nan 8.280 nan 0.000 0.530 301 S N -1.003 114.825 115.700 0.214 0.000 2.493 301 S HA -0.116 4.351 4.470 -0.006 0.000 0.243 301 S C 1.767 176.472 174.600 0.175 0.000 0.991 301 S CA 1.168 59.460 58.200 0.153 0.000 0.957 301 S CB -0.553 62.712 63.200 0.109 0.000 0.756 301 S HN 0.465 nan 8.310 nan 0.000 0.521 302 L N -0.428 120.918 121.223 0.205 0.000 2.588 302 L HA 0.362 4.699 4.340 -0.006 0.000 0.194 302 L C 2.713 179.801 176.870 0.363 0.000 1.070 302 L CA 0.199 55.211 54.840 0.288 0.000 0.852 302 L CB -0.192 41.975 42.059 0.180 0.000 1.199 302 L HN 0.163 nan 8.230 nan 0.000 0.486 303 R N -0.057 120.572 120.500 0.216 0.000 2.096 303 R HA -0.126 4.210 4.340 -0.006 0.000 0.235 303 R C 1.535 177.929 176.300 0.157 0.000 1.127 303 R CA 1.735 57.935 56.100 0.166 0.000 0.968 303 R CB -0.169 30.191 30.300 0.099 0.000 0.861 303 R HN 0.383 nan 8.270 nan 0.000 0.440 304 C N 0.253 119.603 119.300 0.082 0.000 2.780 304 C HA 0.438 4.895 4.460 -0.006 0.000 0.287 304 C C 2.128 177.121 174.990 0.004 0.000 1.288 304 C CA -0.359 58.644 59.018 -0.025 0.000 1.713 304 C CB -0.321 27.304 27.740 -0.192 0.000 1.955 304 C HN 0.624 nan 8.230 nan 0.000 0.613 305 A N 2.638 125.503 122.820 0.076 0.000 1.908 305 A HA -0.104 4.213 4.320 -0.006 0.000 0.218 305 A C -0.005 177.484 177.584 -0.159 0.000 1.181 305 A CA 1.796 53.811 52.037 -0.036 0.000 0.627 305 A CB -1.519 17.461 19.000 -0.033 0.000 0.818 305 A HN 0.420 nan 8.150 nan 0.000 0.445 306 P HA -0.140 nan 4.420 nan 0.000 0.217 306 P C 1.256 178.472 177.300 -0.139 0.000 1.150 306 P CA 1.419 64.415 63.100 -0.173 0.000 0.832 306 P CB -0.028 31.619 31.700 -0.088 0.000 0.787 307 Q N -0.982 118.758 119.800 -0.099 0.000 2.083 307 Q HA -0.070 4.267 4.340 -0.006 0.000 0.198 307 Q C 2.121 178.030 176.000 -0.151 0.000 0.969 307 Q CA 1.206 56.948 55.803 -0.103 0.000 0.838 307 Q CB -1.347 27.340 28.738 -0.084 0.000 0.900 307 Q HN 0.093 nan 8.270 nan 0.000 0.436 308 V N 0.284 120.105 119.914 -0.154 0.000 2.283 308 V HA -0.191 3.926 4.120 -0.006 0.000 0.243 308 V C 2.086 178.019 176.094 -0.268 0.000 1.039 308 V CA 1.400 63.598 62.300 -0.170 0.000 1.016 308 V CB -0.585 31.167 31.823 -0.119 0.000 0.650 308 V HN 0.295 nan 8.190 nan 0.000 0.449 309 L N 0.604 121.615 121.223 -0.353 0.000 2.046 309 L HA -0.100 4.237 4.340 -0.006 0.000 0.208 309 L C 2.672 178.971 176.870 -0.953 0.000 1.077 309 L CA 1.814 56.244 54.840 -0.683 0.000 0.747 309 L CB -1.221 40.423 42.059 -0.692 0.000 0.896 309 L HN 0.485 nan 8.230 nan 0.000 0.432 310 G N -0.395 108.082 108.800 -0.539 0.000 2.442 310 G HA2 -0.255 3.702 3.960 -0.006 0.000 0.219 310 G HA3 -0.255 3.702 3.960 -0.006 0.000 0.219 310 G C 1.761 176.553 174.900 -0.180 0.000 1.141 310 G CA 0.837 45.766 45.100 -0.285 0.000 0.763 310 G HN 0.476 nan 8.290 nan 0.000 0.554 311 A N 0.753 123.446 122.820 -0.213 0.000 1.930 311 A HA 0.203 4.520 4.320 -0.006 0.000 0.217 311 A C 2.679 180.200 177.584 -0.105 0.000 1.175 311 A CA 1.973 53.907 52.037 -0.171 0.000 0.627 311 A CB -0.900 17.990 19.000 -0.183 0.000 0.815 311 A HN 0.498 nan 8.150 nan 0.000 0.443 312 G N -1.140 107.565 108.800 -0.158 0.000 2.408 312 G HA2 -0.094 3.862 3.960 -0.006 0.000 0.217 312 G HA3 -0.094 3.862 3.960 -0.006 0.000 0.217 312 G C 1.273 176.269 174.900 0.159 0.000 1.150 312 G CA 0.975 46.037 45.100 -0.064 0.000 0.776 312 G HN 0.376 nan 8.290 nan 0.000 0.542 313 F N 1.703 121.658 119.950 0.010 0.000 2.186 313 F HA 0.048 4.571 4.527 -0.007 0.000 0.299 313 F C 2.265 178.091 175.800 0.043 0.000 1.090 313 F CA 0.317 58.335 58.000 0.029 0.000 1.307 313 F CB -0.580 38.430 39.000 0.017 0.000 1.019 313 F HN 0.118 nan 8.300 nan 0.000 0.489 314 D N -0.624 119.905 120.400 0.216 0.000 2.224 314 D HA -0.093 4.544 4.640 -0.006 0.000 0.205 314 D C 2.187 178.598 176.300 0.185 0.000 0.965 314 D CA 1.313 55.407 54.000 0.155 0.000 0.852 314 D CB -0.302 40.538 40.800 0.067 0.000 0.947 314 D HN 0.201 nan 8.370 nan 0.000 0.494 315 T N 1.176 115.833 114.554 0.172 0.000 2.812 315 T HA -0.103 4.244 4.350 -0.006 0.000 0.264 315 T C 1.890 176.759 174.700 0.282 0.000 1.042 315 T CA 0.323 62.565 62.100 0.237 0.000 1.140 315 T CB -0.180 68.781 68.868 0.154 0.000 0.870 315 T HN 0.039 nan 8.240 nan 0.000 0.445 316 L N 1.584 122.931 121.223 0.207 0.000 2.083 316 L HA 0.117 4.453 4.340 -0.006 0.000 0.209 316 L C 2.530 179.512 176.870 0.186 0.000 1.083 316 L CA 1.668 56.601 54.840 0.155 0.000 0.752 316 L CB -1.017 41.115 42.059 0.123 0.000 0.899 316 L HN 0.213 nan 8.230 nan 0.000 0.433 317 A N -1.272 121.665 122.820 0.195 0.000 1.902 317 A HA -0.261 4.055 4.320 -0.006 0.000 0.217 317 A C 2.120 179.844 177.584 0.233 0.000 1.181 317 A CA 1.617 53.759 52.037 0.175 0.000 0.623 317 A CB -1.384 17.712 19.000 0.159 0.000 0.818 317 A HN 0.729 nan 8.150 nan 0.000 0.443 318 W N 0.351 121.710 121.300 0.099 0.000 2.379 318 W HA -0.171 4.480 4.660 -0.016 0.000 0.307 318 W C 2.234 178.821 176.519 0.113 0.000 1.200 318 W CA 1.857 59.255 57.345 0.089 0.000 1.297 318 W CB -0.709 28.796 29.460 0.075 0.000 1.140 318 W HN 0.621 nan 8.180 nan 0.000 0.507 319 H N 0.218 119.228 119.070 -0.100 0.000 2.319 319 H HA -0.175 4.379 4.556 -0.004 0.000 0.297 319 H C 1.336 176.547 175.328 -0.194 0.000 1.097 319 H CA 2.438 58.324 56.048 -0.271 0.000 1.285 319 H CB -0.553 29.162 29.762 -0.078 0.000 1.368 319 H HN 0.057 nan 8.280 nan 0.000 0.495 320 D N 0.153 120.624 120.400 0.118 0.000 2.178 320 D HA -0.067 4.569 4.640 -0.006 0.000 0.202 320 D C 2.594 178.875 176.300 -0.030 0.000 0.974 320 D CA 0.548 54.587 54.000 0.066 0.000 0.841 320 D CB -0.192 40.674 40.800 0.110 0.000 0.953 320 D HN 0.380 nan 8.370 nan 0.000 0.478 321 R N 0.206 120.689 120.500 -0.029 0.000 2.066 321 R HA -0.048 4.288 4.340 -0.006 0.000 0.232 321 R C 2.289 178.536 176.300 -0.089 0.000 1.131 321 R CA 0.742 56.833 56.100 -0.016 0.000 0.955 321 R CB -0.402 29.934 30.300 0.060 0.000 0.851 321 R HN 0.103 nan 8.270 nan 0.000 0.432 322 V N 1.402 121.181 119.914 -0.225 0.000 2.358 322 V HA -0.217 3.900 4.120 -0.006 0.000 0.246 322 V C 2.218 178.174 176.094 -0.230 0.000 1.047 322 V CA 1.348 63.496 62.300 -0.252 0.000 1.035 322 V CB -0.440 31.114 31.823 -0.448 0.000 0.658 322 V HN 0.227 nan 8.190 nan 0.000 0.452 323 L N 0.086 121.136 121.223 -0.289 0.000 2.083 323 L HA -0.142 4.194 4.340 -0.006 0.000 0.209 323 L C 2.453 179.250 176.870 -0.122 0.000 1.083 323 L CA 2.362 57.061 54.840 -0.234 0.000 0.752 323 L CB -1.026 40.865 42.059 -0.279 0.000 0.899 323 L HN 0.339 nan 8.230 nan 0.000 0.433 324 T N -0.098 114.409 114.554 -0.078 0.000 2.720 324 T HA -0.172 4.174 4.350 -0.006 0.000 0.268 324 T C 1.971 176.665 174.700 -0.010 0.000 1.037 324 T CA 2.026 64.114 62.100 -0.019 0.000 1.144 324 T CB -0.295 68.601 68.868 0.047 0.000 0.864 324 T HN 0.322 nan 8.240 nan 0.000 0.444 325 I N 0.665 121.215 120.570 -0.034 0.000 2.179 325 I HA -0.149 4.017 4.170 -0.006 0.000 0.242 325 I C 2.734 178.806 176.117 -0.076 0.000 1.088 325 I CA 1.327 62.601 61.300 -0.043 0.000 1.357 325 I CB -0.343 37.608 38.000 -0.081 0.000 1.051 325 I HN 0.213 nan 8.210 nan 0.000 0.409 326 E N 1.345 121.479 120.200 -0.110 0.000 2.085 326 E HA -0.263 4.083 4.350 -0.006 0.000 0.194 326 E C 2.034 178.587 176.600 -0.078 0.000 0.994 326 E CA 1.327 57.661 56.400 -0.109 0.000 0.801 326 E CB -0.282 29.348 29.700 -0.117 0.000 0.743 326 E HN 0.324 nan 8.360 nan 0.000 0.453 327 L N 0.866 122.044 121.223 -0.075 0.000 2.083 327 L HA -0.082 4.255 4.340 -0.006 0.000 0.209 327 L C 1.209 178.039 176.870 -0.068 0.000 1.083 327 L CA 1.787 56.585 54.840 -0.071 0.000 0.752 327 L CB -0.364 41.648 42.059 -0.080 0.000 0.899 327 L HN 0.141 nan 8.230 nan 0.000 0.433 328 N N -0.108 118.557 118.700 -0.058 0.000 2.322 328 N HA 0.198 4.935 4.740 -0.006 0.000 0.194 328 N C 0.336 175.835 175.510 -0.018 0.000 1.126 328 N CA 0.620 53.649 53.050 -0.035 0.000 0.845 328 N CB 0.273 38.772 38.487 0.019 0.000 0.976 328 N HN 0.422 nan 8.380 nan 0.000 0.475 329 A N 0.288 123.086 122.820 -0.037 0.000 2.248 329 A HA 0.590 4.907 4.320 -0.006 0.000 0.316 329 A C 0.001 177.562 177.584 -0.038 0.000 1.101 329 A CA -0.399 51.613 52.037 -0.042 0.000 0.875 329 A CB 0.995 19.954 19.000 -0.068 0.000 1.207 329 A HN -0.047 nan 8.150 nan 0.000 0.504 330 V N 1.150 121.040 119.914 -0.040 0.000 2.333 330 V HA 0.325 4.442 4.120 -0.006 0.000 0.274 330 V C 0.868 176.936 176.094 -0.042 0.000 1.028 330 V CA 0.393 62.673 62.300 -0.033 0.000 0.851 330 V CB 0.675 32.479 31.823 -0.032 0.000 1.000 330 V HN 1.030 nan 8.190 nan 0.000 0.456 331 T N -0.720 113.820 114.554 -0.024 0.000 3.186 331 T HA 0.215 4.561 4.350 -0.006 0.000 0.257 331 T C 0.153 174.873 174.700 0.033 0.000 1.029 331 T CA -0.538 61.555 62.100 -0.012 0.000 0.916 331 T CB -0.302 68.569 68.868 0.005 0.000 1.041 331 T HN 0.553 nan 8.240 nan 0.000 0.562 332 D N 2.420 122.828 120.400 0.014 0.000 2.360 332 D HA 0.511 5.148 4.640 -0.006 0.000 0.242 332 D C -0.047 176.269 176.300 0.027 0.000 1.184 332 D CA -0.033 53.988 54.000 0.035 0.000 0.930 332 D CB 0.426 41.226 40.800 0.000 0.000 1.161 332 D HN 0.349 nan 8.370 nan 0.000 0.447 333 N N -0.186 118.552 118.700 0.064 0.000 2.600 333 N HA 0.255 4.991 4.740 -0.006 0.000 0.272 333 N C -2.952 172.577 175.510 0.031 0.000 1.095 333 N CA -1.245 51.818 53.050 0.023 0.000 0.993 333 N CB 1.726 40.357 38.487 0.240 0.000 1.603 333 N HN 0.023 nan 8.380 nan 0.000 0.526 334 P HA 0.321 nan 4.420 nan 0.000 0.289 334 P C -0.897 176.076 177.300 -0.544 0.000 1.299 334 P CA -0.404 62.408 63.100 -0.479 0.000 0.766 334 P CB 0.823 32.031 31.700 -0.820 0.000 1.226 335 V N -4.139 115.373 119.914 -0.670 0.000 2.962 335 V HA 0.608 4.724 4.120 -0.006 0.000 0.313 335 V C -1.022 174.624 176.094 -0.747 0.000 1.099 335 V CA -0.917 61.024 62.300 -0.599 0.000 0.971 335 V CB 1.644 33.307 31.823 -0.267 0.000 1.028 335 V HN 0.217 nan 8.190 nan 0.000 0.430 336 F N 2.240 122.174 119.950 -0.027 0.000 2.311 336 F HA 0.612 5.139 4.527 0.000 0.000 0.371 336 F C -2.384 173.410 175.800 -0.009 0.000 1.083 336 F CA -2.609 55.383 58.000 -0.013 0.000 1.113 336 F CB 1.227 40.226 39.000 -0.002 0.000 1.349 336 F HN 0.292 nan 8.300 nan 0.000 0.470 337 P HA -0.029 nan 4.420 nan 0.000 0.258 337 P C -1.974 175.369 177.300 0.071 0.000 1.172 337 P CA -0.560 62.573 63.100 0.055 0.000 0.762 337 P CB 0.402 32.124 31.700 0.036 0.000 0.764 338 P HA -0.186 nan 4.420 nan 0.000 0.219 338 P C 0.752 178.072 177.300 0.034 0.000 1.146 338 P CA 1.361 64.488 63.100 0.044 0.000 0.808 338 P CB -0.080 31.639 31.700 0.031 0.000 0.779 339 D N -2.080 118.337 120.400 0.029 0.000 2.323 339 D HA 0.054 4.690 4.640 -0.006 0.000 0.209 339 D C 1.455 177.772 176.300 0.027 0.000 0.973 339 D CA 0.900 54.914 54.000 0.023 0.000 0.874 339 D CB -1.104 39.706 40.800 0.017 0.000 0.930 339 D HN 0.160 nan 8.370 nan 0.000 0.521 340 G N 0.089 108.912 108.800 0.038 0.000 2.143 340 G HA2 -0.369 3.588 3.960 -0.006 0.000 0.249 340 G HA3 -0.369 3.588 3.960 -0.006 0.000 0.249 340 G C 1.251 176.174 174.900 0.039 0.000 0.981 340 G CA 1.044 46.169 45.100 0.043 0.000 0.665 340 G HN 0.657 nan 8.290 nan 0.000 0.528 341 S N -1.335 114.384 115.700 0.033 0.000 2.374 341 S HA 0.145 4.612 4.470 -0.006 0.000 0.227 341 S C 1.242 175.863 174.600 0.035 0.000 1.037 341 S CA 2.199 60.416 58.200 0.028 0.000 1.024 341 S CB -0.467 62.745 63.200 0.021 0.000 0.861 341 S HN 2.105 nan 8.310 nan 0.000 0.456 342 V N -3.804 116.137 119.914 0.046 0.000 3.078 342 V HA 0.576 4.692 4.120 -0.006 0.000 0.311 342 V C -2.504 173.642 176.094 0.086 0.000 1.138 342 V CA -2.134 60.201 62.300 0.058 0.000 1.007 342 V CB 1.223 33.076 31.823 0.050 0.000 1.045 342 V HN -0.108 nan 8.190 nan 0.000 0.432 343 P HA 0.202 nan 4.420 nan 0.000 0.215 343 P C 0.288 177.736 177.300 0.246 0.000 1.153 343 P CA 2.222 65.416 63.100 0.157 0.000 0.853 343 P CB 0.168 31.955 31.700 0.145 0.000 0.788 344 A N -2.028 120.891 122.820 0.164 0.000 2.608 344 A HA 0.644 4.961 4.320 -0.006 0.000 0.292 344 A C -1.892 175.681 177.584 -0.019 0.000 1.066 344 A CA -0.530 51.533 52.037 0.043 0.000 0.676 344 A CB 0.471 19.499 19.000 0.047 0.000 1.277 344 A HN -0.050 nan 8.150 nan 0.000 0.413 345 L N 1.124 122.240 121.223 -0.178 0.000 2.362 345 L HA 0.606 4.943 4.340 -0.006 0.000 0.271 345 L C -1.138 175.578 176.870 -0.257 0.000 1.002 345 L CA -0.712 54.067 54.840 -0.103 0.000 0.818 345 L CB 2.303 44.304 42.059 -0.095 0.000 1.298 345 L HN 0.856 nan 8.230 nan 0.000 0.420 346 H N 1.147 120.157 119.070 -0.100 0.000 2.539 346 H HA 0.747 5.297 4.556 -0.009 0.000 0.332 346 H C 0.146 175.412 175.328 -0.103 0.000 1.031 346 H CA -0.217 55.771 56.048 -0.101 0.000 1.206 346 H CB 1.963 31.668 29.762 -0.094 0.000 1.446 346 H HN 0.739 nan 8.280 nan 0.000 0.496 347 G N 0.671 109.440 108.800 -0.051 0.000 2.793 347 G HA2 0.455 4.411 3.960 -0.006 0.000 0.248 347 G HA3 0.455 4.411 3.960 -0.006 0.000 0.248 347 G C -0.283 174.452 174.900 -0.275 0.000 1.198 347 G CA -0.324 44.703 45.100 -0.122 0.000 0.865 347 G HN 0.664 nan 8.290 nan 0.000 0.534 348 G N 0.085 108.607 108.800 -0.463 0.000 4.716 348 G HA2 0.291 4.248 3.960 -0.006 0.000 0.282 348 G HA3 0.291 4.248 3.960 -0.006 0.000 0.282 348 G C 0.214 174.535 174.900 -0.965 0.000 1.173 348 G CA -0.170 44.293 45.100 -1.063 0.000 0.913 348 G HN 0.261 nan 8.290 nan 0.000 0.566 349 N N 0.877 119.211 118.700 -0.611 0.000 2.609 349 N HA -0.037 4.700 4.740 -0.006 0.000 0.190 349 N C 1.448 176.815 175.510 -0.239 0.000 1.157 349 N CA 0.317 53.168 53.050 -0.332 0.000 0.918 349 N CB -0.126 38.248 38.487 -0.187 0.000 0.978 349 N HN 0.632 nan 8.380 nan 0.000 0.448 350 F N -1.213 118.715 119.950 -0.036 0.000 2.789 350 F HA 0.335 4.866 4.527 0.007 0.000 0.300 350 F C 0.826 176.620 175.800 -0.010 0.000 1.132 350 F CA -0.802 57.182 58.000 -0.026 0.000 1.404 350 F CB -0.688 38.295 39.000 -0.028 0.000 1.114 350 F HN -0.170 nan 8.300 nan 0.000 0.584 351 M N 2.772 122.382 119.600 0.016 0.000 2.429 351 M HA 0.355 4.831 4.480 -0.006 0.000 0.334 351 M C 0.980 177.330 176.300 0.084 0.000 1.560 351 M CA -0.596 54.769 55.300 0.107 0.000 1.291 351 M CB 0.056 32.640 32.600 -0.026 0.000 1.754 351 M HN 0.238 nan 8.290 nan 0.000 0.456 352 G N 3.366 112.230 108.800 0.108 0.000 3.452 352 G HA2 0.022 3.978 3.960 -0.006 0.000 0.258 352 G HA3 0.022 3.978 3.960 -0.006 0.000 0.258 352 G C 0.708 175.648 174.900 0.067 0.000 1.305 352 G CA -0.181 44.965 45.100 0.078 0.000 1.514 352 G HN 0.803 nan 8.290 nan 0.000 0.593 353 Q N 0.036 119.878 119.800 0.069 0.000 2.167 353 Q HA -0.103 4.234 4.340 -0.006 0.000 0.202 353 Q C 1.948 177.928 176.000 -0.034 0.000 0.970 353 Q CA 1.487 57.298 55.803 0.014 0.000 0.855 353 Q CB -0.127 28.600 28.738 -0.018 0.000 0.911 353 Q HN 0.716 nan 8.270 nan 0.000 0.438 354 H N -1.698 117.350 119.070 -0.038 0.000 2.321 354 H HA -0.068 4.481 4.556 -0.012 0.000 0.300 354 H C 1.815 177.060 175.328 -0.140 0.000 1.087 354 H CA 1.768 57.767 56.048 -0.082 0.000 1.319 354 H CB -0.068 29.635 29.762 -0.100 0.000 1.379 354 H HN 0.070 nan 8.280 nan 0.000 0.501 355 V N 0.484 120.400 119.914 0.003 0.000 2.515 355 V HA -0.212 3.905 4.120 -0.006 0.000 0.250 355 V C 2.481 178.553 176.094 -0.036 0.000 1.058 355 V CA 1.369 63.627 62.300 -0.070 0.000 1.064 355 V CB -0.898 30.899 31.823 -0.044 0.000 0.675 355 V HN 0.569 nan 8.190 nan 0.000 0.461 356 A N 0.070 122.887 122.820 -0.004 0.000 1.858 356 A HA -0.160 4.156 4.320 -0.006 0.000 0.216 356 A C 2.193 179.787 177.584 0.018 0.000 1.190 356 A CA 1.818 53.864 52.037 0.016 0.000 0.617 356 A CB -0.515 18.499 19.000 0.022 0.000 0.827 356 A HN 0.489 nan 8.150 nan 0.000 0.443 357 L N -0.150 121.073 121.223 0.000 0.000 2.093 357 L HA -0.139 4.197 4.340 -0.006 0.000 0.208 357 L C 2.967 179.880 176.870 0.072 0.000 1.085 357 L CA 1.773 56.643 54.840 0.051 0.000 0.755 357 L CB -0.951 41.151 42.059 0.073 0.000 0.904 357 L HN 0.660 nan 8.230 nan 0.000 0.435 358 T N -4.573 109.919 114.554 -0.103 0.000 2.904 358 T HA -0.086 4.261 4.350 -0.006 0.000 0.267 358 T C 2.037 176.805 174.700 0.114 0.000 1.059 358 T CA 1.204 63.188 62.100 -0.193 0.000 1.137 358 T CB -0.214 68.297 68.868 -0.595 0.000 0.879 358 T HN 0.111 nan 8.240 nan 0.000 0.467 359 S N 1.650 117.412 115.700 0.102 0.000 2.368 359 S HA -0.102 4.364 4.470 -0.006 0.000 0.225 359 S C 1.859 176.528 174.600 0.115 0.000 1.030 359 S CA 1.254 59.548 58.200 0.157 0.000 0.999 359 S CB -0.538 62.727 63.200 0.108 0.000 0.844 359 S HN 0.528 nan 8.310 nan 0.000 0.459 360 D N 1.612 122.070 120.400 0.096 0.000 2.117 360 D HA 0.004 4.641 4.640 -0.006 0.000 0.197 360 D C 2.132 178.491 176.300 0.098 0.000 0.987 360 D CA 1.190 55.241 54.000 0.085 0.000 0.829 360 D CB -0.442 40.401 40.800 0.072 0.000 0.961 360 D HN 0.374 nan 8.370 nan 0.000 0.460 361 A N 0.750 123.664 122.820 0.156 0.000 1.902 361 A HA -0.139 4.178 4.320 -0.006 0.000 0.217 361 A C 2.149 179.813 177.584 0.134 0.000 1.181 361 A CA 0.963 53.113 52.037 0.188 0.000 0.623 361 A CB -0.674 18.563 19.000 0.395 0.000 0.818 361 A HN 0.239 nan 8.150 nan 0.000 0.443 362 L N -0.246 121.056 121.223 0.132 0.000 2.093 362 L HA -0.020 4.317 4.340 -0.006 0.000 0.208 362 L C 2.648 179.519 176.870 0.002 0.000 1.085 362 L CA 2.040 56.907 54.840 0.046 0.000 0.755 362 L CB -0.826 41.203 42.059 -0.050 0.000 0.904 362 L HN 0.343 nan 8.230 nan 0.000 0.435 363 A N -1.544 121.290 122.820 0.023 0.000 1.908 363 A HA -0.219 4.098 4.320 -0.006 0.000 0.218 363 A C 2.265 179.832 177.584 -0.028 0.000 1.181 363 A CA 2.363 54.403 52.037 0.005 0.000 0.627 363 A CB -1.199 17.818 19.000 0.029 0.000 0.818 363 A HN 0.507 nan 8.150 nan 0.000 0.445 364 T N 0.211 114.757 114.554 -0.013 0.000 2.708 364 T HA 0.000 4.347 4.350 -0.006 0.000 0.266 364 T C 2.253 176.903 174.700 -0.083 0.000 1.037 364 T CA 1.592 63.671 62.100 -0.035 0.000 1.146 364 T CB -0.479 68.383 68.868 -0.010 0.000 0.865 364 T HN 0.606 nan 8.240 nan 0.000 0.435 365 A N 1.007 123.781 122.820 -0.078 0.000 1.902 365 A HA -0.066 4.251 4.320 -0.006 0.000 0.217 365 A C 2.586 180.008 177.584 -0.270 0.000 1.181 365 A CA 1.412 53.371 52.037 -0.131 0.000 0.623 365 A CB -1.089 17.870 19.000 -0.067 0.000 0.818 365 A HN 0.348 nan 8.150 nan 0.000 0.443 366 V N -0.212 119.531 119.914 -0.285 0.000 2.407 366 V HA -0.229 3.888 4.120 -0.006 0.000 0.248 366 V C 2.723 178.497 176.094 -0.534 0.000 1.055 366 V CA 2.464 64.448 62.300 -0.526 0.000 1.049 366 V CB -1.153 30.531 31.823 -0.232 0.000 0.662 366 V HN 0.626 nan 8.190 nan 0.000 0.455 367 T N -0.360 114.027 114.554 -0.278 0.000 2.821 367 T HA -0.125 4.221 4.350 -0.006 0.000 0.267 367 T C 1.929 176.496 174.700 -0.221 0.000 1.046 367 T CA 1.413 63.390 62.100 -0.205 0.000 1.139 367 T CB -0.089 68.716 68.868 -0.104 0.000 0.871 367 T HN 0.285 nan 8.240 nan 0.000 0.454 368 V N 1.278 121.058 119.914 -0.224 0.000 2.307 368 V HA -0.096 4.021 4.120 -0.006 0.000 0.245 368 V C 2.385 178.336 176.094 -0.238 0.000 1.045 368 V CA 1.341 63.529 62.300 -0.186 0.000 1.024 368 V CB -0.554 31.174 31.823 -0.158 0.000 0.651 368 V HN 0.322 nan 8.190 nan 0.000 0.449 369 L N 0.391 121.379 121.223 -0.391 0.000 2.141 369 L HA -0.060 4.276 4.340 -0.006 0.000 0.209 369 L C 2.537 179.182 176.870 -0.375 0.000 1.094 369 L CA 2.083 56.677 54.840 -0.410 0.000 0.763 369 L CB -1.210 40.477 42.059 -0.620 0.000 0.908 369 L HN 0.293 nan 8.230 nan 0.000 0.437 370 A N -0.578 121.890 122.820 -0.585 0.000 1.969 370 A HA -0.034 4.283 4.320 -0.006 0.000 0.218 370 A C 2.424 179.977 177.584 -0.053 0.000 1.169 370 A CA 1.417 53.301 52.037 -0.255 0.000 0.635 370 A CB -1.159 17.710 19.000 -0.218 0.000 0.810 370 A HN 0.418 nan 8.150 nan 0.000 0.445 371 G N -0.132 108.611 108.800 -0.095 0.000 2.408 371 G HA2 -0.098 3.859 3.960 -0.006 0.000 0.217 371 G HA3 -0.098 3.859 3.960 -0.006 0.000 0.217 371 G C 1.463 176.362 174.900 -0.002 0.000 1.150 371 G CA 1.141 46.220 45.100 -0.035 0.000 0.776 371 G HN 0.504 nan 8.290 nan 0.000 0.542 372 L N 1.385 122.602 121.223 -0.010 0.000 2.017 372 L HA 0.193 4.529 4.340 -0.006 0.000 0.208 372 L C 2.997 179.908 176.870 0.069 0.000 1.073 372 L CA 2.250 57.106 54.840 0.028 0.000 0.745 372 L CB -0.779 41.288 42.059 0.014 0.000 0.894 372 L HN 0.202 nan 8.230 nan 0.000 0.432 373 A N -0.799 122.086 122.820 0.108 0.000 1.902 373 A HA -0.231 4.086 4.320 -0.006 0.000 0.217 373 A C 2.330 179.973 177.584 0.099 0.000 1.181 373 A CA 1.728 53.850 52.037 0.142 0.000 0.623 373 A CB -0.803 18.343 19.000 0.244 0.000 0.818 373 A HN 0.596 nan 8.150 nan 0.000 0.443 374 E N -0.090 120.161 120.200 0.084 0.000 2.110 374 E HA -0.199 4.147 4.350 -0.006 0.000 0.193 374 E C 2.037 178.671 176.600 0.056 0.000 0.988 374 E CA 0.870 57.310 56.400 0.066 0.000 0.804 374 E CB -0.197 29.536 29.700 0.054 0.000 0.745 374 E HN 0.369 nan 8.360 nan 0.000 0.458 375 R N 0.301 120.831 120.500 0.051 0.000 2.148 375 R HA -0.023 4.314 4.340 -0.006 0.000 0.223 375 R C 2.352 178.681 176.300 0.049 0.000 1.088 375 R CA 0.771 56.898 56.100 0.046 0.000 0.985 375 R CB -0.358 29.967 30.300 0.042 0.000 0.880 375 R HN 0.394 nan 8.270 nan 0.000 0.451 376 Q N 0.013 119.849 119.800 0.059 0.000 2.119 376 Q HA -0.024 4.312 4.340 -0.006 0.000 0.201 376 Q C 2.159 178.183 176.000 0.041 0.000 0.972 376 Q CA 1.060 56.898 55.803 0.058 0.000 0.847 376 Q CB -0.055 28.727 28.738 0.074 0.000 0.903 376 Q HN 0.303 nan 8.270 nan 0.000 0.433 377 I N 0.620 121.215 120.570 0.041 0.000 2.202 377 I HA -0.260 3.907 4.170 -0.006 0.000 0.242 377 I C 2.433 178.576 176.117 0.043 0.000 1.091 377 I CA 0.933 62.251 61.300 0.030 0.000 1.368 377 I CB -0.433 37.591 38.000 0.040 0.000 1.058 377 I HN 0.153 nan 8.210 nan 0.000 0.410 378 A N 0.810 123.662 122.820 0.053 0.000 1.940 378 A HA -0.260 4.057 4.320 -0.006 0.000 0.219 378 A C 2.437 180.038 177.584 0.027 0.000 1.176 378 A CA 1.980 54.052 52.037 0.058 0.000 0.631 378 A CB -0.647 18.385 19.000 0.054 0.000 0.814 378 A HN 0.400 nan 8.150 nan 0.000 0.446 379 R N -0.963 119.547 120.500 0.018 0.000 2.062 379 R HA -0.028 4.308 4.340 -0.006 0.000 0.226 379 R C 2.031 178.321 176.300 -0.017 0.000 1.125 379 R CA 1.390 57.490 56.100 0.001 0.000 0.966 379 R CB -0.400 29.907 30.300 0.013 0.000 0.861 379 R HN 0.395 nan 8.270 nan 0.000 0.433 380 L N 1.163 122.380 121.223 -0.010 0.000 2.083 380 L HA -0.110 4.227 4.340 -0.006 0.000 0.209 380 L C 2.016 178.856 176.870 -0.050 0.000 1.083 380 L CA 2.443 57.267 54.840 -0.026 0.000 0.752 380 L CB -0.490 41.553 42.059 -0.027 0.000 0.899 380 L HN 0.444 nan 8.230 nan 0.000 0.433 381 T N -4.209 110.320 114.554 -0.042 0.000 3.129 381 T HA 0.023 4.370 4.350 -0.006 0.000 0.251 381 T C 0.726 175.235 174.700 -0.318 0.000 1.117 381 T CA -0.097 61.955 62.100 -0.080 0.000 1.034 381 T CB -0.471 68.471 68.868 0.124 0.000 0.968 381 T HN 0.251 nan 8.240 nan 0.000 0.526 382 D N 2.634 122.904 120.400 -0.216 0.000 2.347 382 D HA 0.074 4.710 4.640 -0.006 0.000 0.235 382 D C 1.303 177.480 176.300 -0.205 0.000 1.149 382 D CA -0.343 53.505 54.000 -0.253 0.000 0.850 382 D CB 1.271 42.004 40.800 -0.111 0.000 1.061 382 D HN 0.615 nan 8.370 nan 0.000 0.487 383 E N 3.343 123.392 120.200 -0.251 0.000 2.333 383 E HA -0.187 4.160 4.350 -0.006 0.000 0.198 383 E C 1.001 177.550 176.600 -0.084 0.000 1.007 383 E CA 0.729 57.043 56.400 -0.142 0.000 0.845 383 E CB 0.105 29.733 29.700 -0.119 0.000 0.766 383 E HN 0.374 nan 8.360 nan 0.000 0.507 384 R N 0.060 120.513 120.500 -0.080 0.000 2.246 384 R HA 0.171 4.508 4.340 -0.006 0.000 0.199 384 R C 1.722 177.996 176.300 -0.043 0.000 0.984 384 R CA 0.526 56.597 56.100 -0.048 0.000 1.015 384 R CB 0.203 30.480 30.300 -0.037 0.000 0.930 384 R HN 0.287 nan 8.270 nan 0.000 0.475 385 L N 0.141 121.333 121.223 -0.052 0.000 2.781 385 L HA 0.116 4.452 4.340 -0.006 0.000 0.245 385 L C 0.583 177.431 176.870 -0.037 0.000 1.118 385 L CA -0.098 54.718 54.840 -0.039 0.000 0.918 385 L CB 0.170 42.209 42.059 -0.034 0.000 1.246 385 L HN 0.096 nan 8.230 nan 0.000 0.526 386 N N 0.884 119.554 118.700 -0.049 0.000 2.362 386 N HA -0.026 4.711 4.740 -0.006 0.000 0.211 386 N C -0.022 175.469 175.510 -0.032 0.000 1.170 386 N CA -0.331 52.695 53.050 -0.041 0.000 0.828 386 N CB -0.189 38.265 38.487 -0.056 0.000 1.034 386 N HN 0.059 nan 8.380 nan 0.000 0.475 387 R N -0.247 120.236 120.500 -0.029 0.000 3.092 387 R HA -0.174 4.162 4.340 -0.006 0.000 0.245 387 R C 0.812 177.099 176.300 -0.021 0.000 0.881 387 R CA 0.529 56.615 56.100 -0.023 0.000 0.614 387 R CB -2.067 28.222 30.300 -0.019 0.000 1.128 387 R HN 0.643 nan 8.270 nan 0.000 0.483 388 G N -0.784 108.002 108.800 -0.023 0.000 2.195 388 G HA2 -0.312 3.644 3.960 -0.006 0.000 0.246 388 G HA3 -0.312 3.644 3.960 -0.006 0.000 0.246 388 G C 0.273 175.160 174.900 -0.022 0.000 0.984 388 G CA 0.113 45.201 45.100 -0.019 0.000 0.633 388 G HN 0.301 nan 8.290 nan 0.000 0.525 389 L N 1.478 122.684 121.223 -0.029 0.000 2.418 389 L HA 0.424 4.760 4.340 -0.006 0.000 0.265 389 L C -1.611 175.238 176.870 -0.035 0.000 1.143 389 L CA -2.057 52.763 54.840 -0.033 0.000 0.809 389 L CB 0.701 42.740 42.059 -0.034 0.000 1.124 389 L HN -0.094 nan 8.230 nan 0.000 0.456 390 P HA 0.044 nan 4.420 nan 0.000 0.267 390 P C -2.475 174.843 177.300 0.031 0.000 1.200 390 P CA -0.899 62.187 63.100 -0.023 0.000 0.772 390 P CB -0.178 31.387 31.700 -0.225 0.000 0.855 391 P HA -0.014 nan 4.420 nan 0.000 0.267 391 P C -0.226 177.119 177.300 0.074 0.000 1.209 391 P CA 0.342 63.381 63.100 -0.102 0.000 0.763 391 P CB -0.153 31.529 31.700 -0.031 0.000 0.816 392 F N 1.562 121.610 119.950 0.163 0.000 3.069 392 F HA -0.242 4.282 4.527 -0.006 0.000 0.285 392 F C 1.303 177.273 175.800 0.284 0.000 0.827 392 F CA 0.329 58.448 58.000 0.199 0.000 1.108 392 F CB -2.645 36.468 39.000 0.188 0.000 1.252 392 F HN 0.270 nan 8.300 nan 0.000 0.483 393 L N -1.675 119.703 121.223 0.258 0.000 3.737 393 L HA -0.317 4.019 4.340 -0.006 0.000 0.418 393 L C 1.342 178.368 176.870 0.259 0.000 1.216 393 L CA 1.043 56.009 54.840 0.210 0.000 0.915 393 L CB -1.960 40.214 42.059 0.191 0.000 1.834 393 L HN 0.703 nan 8.230 nan 0.000 0.943 394 H N 0.372 119.575 119.070 0.223 0.000 2.603 394 H HA 0.667 5.219 4.556 -0.006 0.000 0.370 394 H C 0.285 175.677 175.328 0.107 0.000 1.225 394 H CA -0.459 55.681 56.048 0.154 0.000 1.410 394 H CB 0.909 30.749 29.762 0.130 0.000 1.495 394 H HN 0.295 nan 8.280 nan 0.000 0.602 395 R N -0.223 120.304 120.500 0.045 0.000 2.888 395 R HA 0.479 4.816 4.340 -0.006 0.000 0.266 395 R C -0.310 176.101 176.300 0.185 0.000 1.020 395 R CA -0.253 55.847 56.100 -0.001 0.000 0.963 395 R CB 2.058 32.371 30.300 0.022 0.000 1.197 395 R HN 1.099 nan 8.270 nan 0.000 0.481 396 G N 1.283 110.161 108.800 0.130 0.000 2.760 396 G HA2 -0.185 3.772 3.960 -0.006 0.000 0.246 396 G HA3 -0.185 3.772 3.960 -0.006 0.000 0.246 396 G C -2.720 172.305 174.900 0.209 0.000 1.359 396 G CA -1.227 43.956 45.100 0.139 0.000 0.861 396 G HN 0.381 nan 8.290 nan 0.000 0.541 397 P HA 0.455 nan 4.420 nan 0.000 0.264 397 P C 0.359 177.669 177.300 0.016 0.000 1.193 397 P CA 0.822 63.976 63.100 0.091 0.000 0.763 397 P CB 0.749 32.473 31.700 0.040 0.000 0.810 398 A N 3.371 126.178 122.820 -0.021 0.000 2.462 398 A HA 0.497 4.814 4.320 -0.006 0.000 0.243 398 A C 1.529 179.006 177.584 -0.178 0.000 1.076 398 A CA 0.835 52.673 52.037 -0.332 0.000 0.773 398 A CB -0.896 18.017 19.000 -0.144 0.000 1.010 398 A HN 0.804 nan 8.150 nan 0.000 0.493 399 G N 0.681 109.360 108.800 -0.202 0.000 3.586 399 G HA2 -0.285 3.671 3.960 -0.006 0.000 0.212 399 G HA3 -0.285 3.671 3.960 -0.006 0.000 0.212 399 G C 1.119 175.969 174.900 -0.083 0.000 1.411 399 G CA 0.411 45.454 45.100 -0.096 0.000 0.898 399 G HN 0.801 nan 8.290 nan 0.000 0.575 400 L N 1.084 122.266 121.223 -0.069 0.000 2.083 400 L HA 0.101 4.437 4.340 -0.006 0.000 0.209 400 L C 0.869 177.708 176.870 -0.052 0.000 1.083 400 L CA 1.097 55.910 54.840 -0.045 0.000 0.752 400 L CB -0.308 41.738 42.059 -0.022 0.000 0.899 400 L HN 0.330 nan 8.230 nan 0.000 0.433 401 N N -1.274 117.378 118.700 -0.080 0.000 2.362 401 N HA 0.192 4.929 4.740 -0.006 0.000 0.298 401 N C -0.010 175.433 175.510 -0.111 0.000 1.048 401 N CA -0.102 52.914 53.050 -0.057 0.000 0.858 401 N CB 2.065 40.575 38.487 0.038 0.000 1.218 401 N HN -0.179 nan 8.380 nan 0.000 0.488 402 S N 0.128 115.800 115.700 -0.046 0.000 2.603 402 S HA 0.245 4.712 4.470 -0.006 0.000 0.232 402 S C 1.272 175.917 174.600 0.075 0.000 1.016 402 S CA 0.034 58.218 58.200 -0.027 0.000 0.976 402 S CB 0.514 63.647 63.200 -0.112 0.000 0.921 402 S HN 0.924 nan 8.310 nan 0.000 0.516 403 G N 2.482 111.325 108.800 0.073 0.000 2.634 403 G HA2 -0.348 3.608 3.960 -0.006 0.000 0.318 403 G HA3 -0.348 3.608 3.960 -0.006 0.000 0.318 403 G C 0.258 175.077 174.900 -0.136 0.000 1.207 403 G CA 0.858 45.976 45.100 0.030 0.000 0.987 403 G HN 0.472 nan 8.290 nan 0.000 0.547 404 F N 1.317 121.352 119.950 0.142 0.000 2.664 404 F HA 0.470 4.994 4.527 -0.006 0.000 0.301 404 F C 2.396 178.225 175.800 0.048 0.000 1.126 404 F CA 0.887 58.945 58.000 0.097 0.000 1.373 404 F CB 0.174 39.248 39.000 0.123 0.000 1.042 404 F HN 0.323 nan 8.300 nan 0.000 0.535 405 M N 0.050 119.655 119.600 0.008 0.000 2.149 405 M HA -0.132 4.344 4.480 -0.006 0.000 0.261 405 M C 2.331 178.503 176.300 -0.214 0.000 1.064 405 M CA 2.208 57.242 55.300 -0.443 0.000 1.102 405 M CB -0.400 31.659 32.600 -0.901 0.000 1.369 405 M HN 0.314 nan 8.290 nan 0.000 0.408 406 G N -0.841 107.891 108.800 -0.113 0.000 2.394 406 G HA2 -0.076 3.881 3.960 -0.006 0.000 0.214 406 G HA3 -0.076 3.881 3.960 -0.006 0.000 0.214 406 G C 1.486 176.389 174.900 0.004 0.000 1.176 406 G CA 0.678 45.739 45.100 -0.065 0.000 0.786 406 G HN 0.606 nan 8.290 nan 0.000 0.533 407 A N 0.042 122.900 122.820 0.063 0.000 1.978 407 A HA -0.119 4.198 4.320 -0.006 0.000 0.220 407 A C 2.269 179.920 177.584 0.112 0.000 1.170 407 A CA 2.075 54.181 52.037 0.115 0.000 0.636 407 A CB -0.426 18.719 19.000 0.242 0.000 0.810 407 A HN 0.390 nan 8.150 nan 0.000 0.448 408 Q N 0.032 119.911 119.800 0.133 0.000 2.084 408 Q HA -0.123 4.213 4.340 -0.006 0.000 0.202 408 Q C 2.103 178.152 176.000 0.082 0.000 0.978 408 Q CA 2.073 57.953 55.803 0.128 0.000 0.844 408 Q CB -0.308 28.552 28.738 0.203 0.000 0.898 408 Q HN 0.431 nan 8.270 nan 0.000 0.426 409 V N 0.561 120.504 119.914 0.048 0.000 2.427 409 V HA -0.199 3.918 4.120 -0.006 0.000 0.248 409 V C 2.347 178.459 176.094 0.030 0.000 1.051 409 V CA 1.990 64.308 62.300 0.030 0.000 1.048 409 V CB -0.770 31.052 31.823 -0.001 0.000 0.666 409 V HN 0.382 nan 8.190 nan 0.000 0.456 410 T N 0.412 114.985 114.554 0.031 0.000 2.788 410 T HA -0.159 4.187 4.350 -0.006 0.000 0.268 410 T C 2.061 176.784 174.700 0.037 0.000 1.044 410 T CA 1.588 63.706 62.100 0.029 0.000 1.139 410 T CB -0.349 68.536 68.868 0.029 0.000 0.867 410 T HN 0.575 nan 8.240 nan 0.000 0.454 411 A N 1.164 124.013 122.820 0.048 0.000 1.902 411 A HA -0.117 4.199 4.320 -0.006 0.000 0.217 411 A C 2.546 180.160 177.584 0.049 0.000 1.181 411 A CA 2.036 54.104 52.037 0.052 0.000 0.623 411 A CB -1.163 17.873 19.000 0.059 0.000 0.818 411 A HN 0.471 nan 8.150 nan 0.000 0.443 412 T N 0.297 114.879 114.554 0.046 0.000 2.746 412 T HA -0.006 4.341 4.350 -0.006 0.000 0.267 412 T C 2.235 176.953 174.700 0.031 0.000 1.039 412 T CA 1.530 63.654 62.100 0.039 0.000 1.142 412 T CB -0.449 68.442 68.868 0.039 0.000 0.866 412 T HN 0.594 nan 8.240 nan 0.000 0.444 413 A N 1.290 124.127 122.820 0.028 0.000 1.902 413 A HA 0.001 4.317 4.320 -0.006 0.000 0.217 413 A C 2.302 179.901 177.584 0.026 0.000 1.181 413 A CA 1.206 53.257 52.037 0.023 0.000 0.623 413 A CB -0.854 18.157 19.000 0.019 0.000 0.818 413 A HN 0.479 nan 8.150 nan 0.000 0.443 414 L N -1.202 120.040 121.223 0.032 0.000 2.083 414 L HA -0.157 4.179 4.340 -0.006 0.000 0.209 414 L C 2.564 179.457 176.870 0.037 0.000 1.083 414 L CA 1.166 56.028 54.840 0.037 0.000 0.752 414 L CB -0.508 41.578 42.059 0.046 0.000 0.899 414 L HN 0.480 nan 8.230 nan 0.000 0.433 415 L N 0.173 121.417 121.223 0.036 0.000 2.056 415 L HA -0.079 4.257 4.340 -0.006 0.000 0.207 415 L C 2.644 179.523 176.870 0.016 0.000 1.078 415 L CA 1.900 56.755 54.840 0.026 0.000 0.749 415 L CB -0.657 41.417 42.059 0.024 0.000 0.901 415 L HN 0.115 nan 8.230 nan 0.000 0.433 416 A N -0.788 122.042 122.820 0.018 0.000 1.940 416 A HA -0.285 4.032 4.320 -0.006 0.000 0.219 416 A C 2.334 179.926 177.584 0.013 0.000 1.176 416 A CA 1.921 53.966 52.037 0.013 0.000 0.631 416 A CB -0.747 18.262 19.000 0.014 0.000 0.814 416 A HN 0.640 nan 8.150 nan 0.000 0.446 417 E N -0.689 119.522 120.200 0.017 0.000 2.106 417 E HA -0.165 4.181 4.350 -0.006 0.000 0.192 417 E C 2.028 178.638 176.600 0.018 0.000 0.984 417 E CA 1.179 57.590 56.400 0.017 0.000 0.806 417 E CB -0.191 29.521 29.700 0.020 0.000 0.750 417 E HN 0.682 nan 8.360 nan 0.000 0.458 418 M N 0.002 119.613 119.600 0.018 0.000 2.108 418 M HA -0.164 4.313 4.480 -0.006 0.000 0.261 418 M C 2.296 178.600 176.300 0.007 0.000 1.066 418 M CA 1.544 56.853 55.300 0.015 0.000 1.107 418 M CB -0.178 32.428 32.600 0.009 0.000 1.356 418 M HN 0.009 nan 8.290 nan 0.000 0.406 419 R N 0.137 120.639 120.500 0.003 0.000 2.189 419 R HA -0.025 4.311 4.340 -0.006 0.000 0.223 419 R C 2.221 178.526 176.300 0.009 0.000 1.092 419 R CA 1.091 57.192 56.100 0.001 0.000 0.989 419 R CB -0.463 29.836 30.300 -0.001 0.000 0.876 419 R HN 0.374 nan 8.270 nan 0.000 0.457 420 A N 0.622 123.449 122.820 0.012 0.000 2.067 420 A HA -0.041 4.275 4.320 -0.006 0.000 0.219 420 A C 0.840 178.435 177.584 0.019 0.000 1.158 420 A CA 0.964 53.009 52.037 0.014 0.000 0.661 420 A CB 0.034 19.041 19.000 0.012 0.000 0.801 420 A HN 0.116 nan 8.150 nan 0.000 0.452 421 T N 0.247 114.813 114.554 0.021 0.000 2.767 421 T HA 0.543 4.890 4.350 -0.006 0.000 0.284 421 T C 0.464 175.187 174.700 0.038 0.000 0.973 421 T CA 0.058 62.175 62.100 0.030 0.000 0.996 421 T CB 1.498 70.382 68.868 0.028 0.000 0.927 421 T HN 0.376 nan 8.240 nan 0.000 0.456 422 G N 3.145 111.981 108.800 0.060 0.000 2.795 422 G HA2 0.663 4.619 3.960 -0.006 0.000 0.267 422 G HA3 0.663 4.619 3.960 -0.006 0.000 0.267 422 G C -2.631 172.318 174.900 0.082 0.000 1.362 422 G CA -1.620 43.519 45.100 0.065 0.000 1.048 422 G HN 0.432 nan 8.290 nan 0.000 0.547 423 P HA 0.258 nan 4.420 nan 0.000 0.266 423 P C 0.328 177.693 177.300 0.108 0.000 1.195 423 P CA 0.341 63.478 63.100 0.061 0.000 0.768 423 P CB 1.304 33.016 31.700 0.020 0.000 0.838 424 A N 1.902 124.788 122.820 0.110 0.000 2.044 424 A HA -0.036 4.280 4.320 -0.006 0.000 0.213 424 A C 2.037 179.694 177.584 0.122 0.000 1.169 424 A CA 0.990 53.132 52.037 0.175 0.000 0.724 424 A CB -0.988 18.082 19.000 0.117 0.000 0.840 424 A HN 0.475 nan 8.150 nan 0.000 0.463 425 S N 0.588 116.312 115.700 0.041 0.000 2.419 425 S HA -0.168 4.298 4.470 -0.006 0.000 0.235 425 S C 1.656 176.220 174.600 -0.059 0.000 1.019 425 S CA 1.517 59.720 58.200 0.005 0.000 0.982 425 S CB -0.667 62.536 63.200 0.005 0.000 0.789 425 S HN 0.796 nan 8.310 nan 0.000 0.490 426 I N -1.373 119.086 120.570 -0.185 0.000 3.444 426 I HA 0.077 4.244 4.170 -0.006 0.000 0.287 426 I C 0.728 176.616 176.117 -0.381 0.000 1.302 426 I CA 0.894 62.021 61.300 -0.289 0.000 1.368 426 I CB -0.330 37.456 38.000 -0.356 0.000 1.048 426 I HN 0.154 nan 8.210 nan 0.000 0.487 427 H N 1.052 120.133 119.070 0.019 0.000 2.524 427 H HA 0.310 4.864 4.556 -0.004 0.000 0.299 427 H C 0.678 176.018 175.328 0.020 0.000 1.074 427 H CA -0.237 55.822 56.048 0.018 0.000 1.115 427 H CB 0.117 29.890 29.762 0.018 0.000 1.522 427 H HN 0.310 nan 8.280 nan 0.000 0.543 428 S N 1.235 116.980 115.700 0.074 0.000 2.552 428 S HA 0.146 4.613 4.470 -0.006 0.000 0.289 428 S C 0.301 174.939 174.600 0.064 0.000 1.304 428 S CA -0.145 58.093 58.200 0.064 0.000 1.063 428 S CB -0.039 63.184 63.200 0.039 0.000 0.848 428 S HN 0.288 nan 8.310 nan 0.000 0.499 429 I N 3.430 124.036 120.570 0.061 0.000 2.533 429 I HA 0.217 4.384 4.170 -0.006 0.000 0.290 429 I C 0.079 176.222 176.117 0.044 0.000 1.056 429 I CA -0.632 60.699 61.300 0.051 0.000 1.057 429 I CB 2.109 40.140 38.000 0.051 0.000 1.240 429 I HN 0.571 nan 8.210 nan 0.000 0.423 430 S N 4.029 119.752 115.700 0.038 0.000 2.525 430 S HA 0.255 4.722 4.470 -0.006 0.000 0.285 430 S C -0.198 174.423 174.600 0.035 0.000 1.283 430 S CA 0.419 58.641 58.200 0.036 0.000 1.072 430 S CB 0.235 63.454 63.200 0.031 0.000 0.867 430 S HN 0.772 nan 8.310 nan 0.000 0.492 431 T N 3.137 117.714 114.554 0.038 0.000 2.696 431 T HA 0.417 4.764 4.350 -0.006 0.000 0.291 431 T C -0.376 174.347 174.700 0.038 0.000 1.095 431 T CA -0.121 62.000 62.100 0.036 0.000 1.026 431 T CB 0.813 69.703 68.868 0.038 0.000 1.390 431 T HN 0.909 nan 8.240 nan 0.000 0.513 432 N N 0.596 119.318 118.700 0.037 0.000 2.727 432 N HA -0.223 4.514 4.740 -0.006 0.000 0.251 432 N C 0.322 175.853 175.510 0.035 0.000 1.040 432 N CA 0.809 53.883 53.050 0.040 0.000 0.712 432 N CB -1.183 37.333 38.487 0.048 0.000 0.912 432 N HN 1.554 nan 8.380 nan 0.000 0.545 433 A N -0.657 122.179 122.820 0.028 0.000 2.832 433 A HA -0.001 4.315 4.320 -0.006 0.000 0.280 433 A C 1.325 178.925 177.584 0.027 0.000 1.464 433 A CA 2.110 54.161 52.037 0.024 0.000 0.804 433 A CB -2.301 16.711 19.000 0.021 0.000 1.020 433 A HN 2.280 nan 8.150 nan 0.000 0.563 434 A N -2.526 120.312 122.820 0.030 0.000 3.383 434 A HA -0.355 3.961 4.320 -0.006 0.000 0.264 434 A C 1.402 179.008 177.584 0.036 0.000 1.154 434 A CA 1.944 54.000 52.037 0.031 0.000 1.179 434 A CB -2.568 16.447 19.000 0.026 0.000 1.133 434 A HN 2.231 nan 8.150 nan 0.000 0.933 435 N N 0.115 118.840 118.700 0.041 0.000 2.166 435 N HA -0.112 4.624 4.740 -0.006 0.000 0.186 435 N C 0.976 176.519 175.510 0.055 0.000 1.019 435 N CA 1.941 55.019 53.050 0.048 0.000 0.856 435 N CB -0.178 38.342 38.487 0.055 0.000 0.993 435 N HN 0.763 nan 8.380 nan 0.000 0.426 436 Q N 0.447 120.280 119.800 0.054 0.000 3.008 436 Q HA 0.073 4.410 4.340 -0.006 0.000 0.307 436 Q C -0.498 175.535 176.000 0.055 0.000 1.273 436 Q CA -0.280 55.561 55.803 0.062 0.000 1.091 436 Q CB 0.581 29.352 28.738 0.054 0.000 1.393 436 Q HN 0.506 nan 8.270 nan 0.000 0.521 437 D N -0.401 120.030 120.400 0.050 0.000 2.371 437 D HA -0.072 4.564 4.640 -0.006 0.000 0.221 437 D C 0.632 176.957 176.300 0.042 0.000 0.986 437 D CA 0.383 54.408 54.000 0.041 0.000 0.899 437 D CB 0.085 40.905 40.800 0.034 0.000 0.902 437 D HN 0.203 nan 8.370 nan 0.000 0.530 438 V N -2.014 117.931 119.914 0.051 0.000 2.777 438 V HA 0.726 4.842 4.120 -0.006 0.000 0.306 438 V C -0.520 175.613 176.094 0.065 0.000 1.112 438 V CA -1.202 61.127 62.300 0.049 0.000 0.917 438 V CB 1.852 33.698 31.823 0.039 0.000 1.018 438 V HN 0.090 nan 8.190 nan 0.000 0.426 439 V N 1.302 121.253 119.914 0.061 0.000 2.962 439 V HA 0.795 4.912 4.120 -0.006 0.000 0.313 439 V C 1.114 177.246 176.094 0.063 0.000 1.099 439 V CA 0.274 62.617 62.300 0.072 0.000 0.971 439 V CB 1.475 33.337 31.823 0.065 0.000 1.028 439 V HN 1.361 nan 8.190 nan 0.000 0.430 440 S N 2.524 118.266 115.700 0.070 0.000 2.406 440 S HA 0.080 4.547 4.470 -0.006 0.000 0.224 440 S C 1.158 175.790 174.600 0.054 0.000 1.030 440 S CA 1.123 59.357 58.200 0.057 0.000 0.958 440 S CB -0.869 62.368 63.200 0.062 0.000 0.811 440 S HN 1.400 nan 8.310 nan 0.000 0.489 441 L N 0.326 121.584 121.223 0.058 0.000 4.040 441 L HA -0.194 4.143 4.340 -0.006 0.000 0.410 441 L C 1.502 178.404 176.870 0.053 0.000 1.187 441 L CA 0.022 54.898 54.840 0.058 0.000 0.956 441 L CB -2.314 39.789 42.059 0.074 0.000 2.022 441 L HN 0.529 nan 8.230 nan 0.000 0.897 442 G N -0.359 108.470 108.800 0.048 0.000 2.432 442 G HA2 -0.202 3.754 3.960 -0.006 0.000 0.219 442 G HA3 -0.202 3.754 3.960 -0.006 0.000 0.219 442 G C 1.275 176.199 174.900 0.040 0.000 1.135 442 G CA 1.402 46.527 45.100 0.041 0.000 0.767 442 G HN 0.468 nan 8.290 nan 0.000 0.550 443 T N 1.306 115.882 114.554 0.037 0.000 2.777 443 T HA -0.021 4.325 4.350 -0.006 0.000 0.266 443 T C 2.371 177.093 174.700 0.035 0.000 1.040 443 T CA 0.921 63.039 62.100 0.031 0.000 1.141 443 T CB -0.109 68.772 68.868 0.023 0.000 0.868 443 T HN 0.273 nan 8.240 nan 0.000 0.444 444 I N 1.545 122.138 120.570 0.039 0.000 2.252 444 I HA -0.141 4.025 4.170 -0.006 0.000 0.245 444 I C 3.010 179.157 176.117 0.050 0.000 1.102 444 I CA 1.022 62.347 61.300 0.042 0.000 1.385 444 I CB -0.538 37.490 38.000 0.046 0.000 1.064 444 I HN 0.204 nan 8.210 nan 0.000 0.414 445 A N 0.886 123.740 122.820 0.056 0.000 1.883 445 A HA -0.218 4.099 4.320 -0.006 0.000 0.217 445 A C 2.545 180.167 177.584 0.064 0.000 1.186 445 A CA 2.092 54.167 52.037 0.062 0.000 0.624 445 A CB -0.918 18.118 19.000 0.059 0.000 0.822 445 A HN 0.438 nan 8.150 nan 0.000 0.444 446 A N -0.555 122.302 122.820 0.062 0.000 1.933 446 A HA -0.141 4.175 4.320 -0.006 0.000 0.218 446 A C 2.251 179.875 177.584 0.066 0.000 1.175 446 A CA 1.520 53.601 52.037 0.073 0.000 0.628 446 A CB -0.430 18.610 19.000 0.067 0.000 0.814 446 A HN 0.549 nan 8.150 nan 0.000 0.444 447 R N -0.626 119.906 120.500 0.053 0.000 2.092 447 R HA 0.042 4.379 4.340 -0.006 0.000 0.231 447 R C 1.955 178.285 176.300 0.049 0.000 1.119 447 R CA 1.210 57.338 56.100 0.047 0.000 0.970 447 R CB -0.392 29.929 30.300 0.035 0.000 0.864 447 R HN 0.503 nan 8.270 nan 0.000 0.440 448 L N -0.392 120.861 121.223 0.049 0.000 2.141 448 L HA -0.192 4.145 4.340 -0.006 0.000 0.209 448 L C 2.701 179.603 176.870 0.053 0.000 1.094 448 L CA 0.651 55.520 54.840 0.048 0.000 0.763 448 L CB -0.452 41.637 42.059 0.050 0.000 0.908 448 L HN 0.364 nan 8.230 nan 0.000 0.437 449 C N 0.330 119.666 119.300 0.059 0.000 2.440 449 C HA -0.142 4.315 4.460 -0.006 0.000 0.278 449 C C 3.090 178.122 174.990 0.071 0.000 1.295 449 C CA 0.796 59.849 59.018 0.060 0.000 1.738 449 C CB -0.507 27.272 27.740 0.064 0.000 1.987 449 C HN 0.492 nan 8.230 nan 0.000 0.492 450 R N 1.289 121.832 120.500 0.073 0.000 2.081 450 R HA -0.082 4.255 4.340 -0.006 0.000 0.235 450 R C 2.115 178.464 176.300 0.080 0.000 1.131 450 R CA 2.008 58.157 56.100 0.081 0.000 0.960 450 R CB -0.801 29.544 30.300 0.074 0.000 0.856 450 R HN 0.526 nan 8.270 nan 0.000 0.436 451 E N 0.754 120.994 120.200 0.066 0.000 2.085 451 E HA -0.185 4.162 4.350 -0.006 0.000 0.194 451 E C 1.863 178.508 176.600 0.074 0.000 0.994 451 E CA 1.428 57.865 56.400 0.062 0.000 0.801 451 E CB -0.124 29.605 29.700 0.048 0.000 0.743 451 E HN 0.432 nan 8.360 nan 0.000 0.453 452 K N 0.287 120.732 120.400 0.075 0.000 2.097 452 K HA -0.026 4.291 4.320 -0.006 0.000 0.205 452 K C 2.311 179.002 176.600 0.150 0.000 1.050 452 K CA 0.755 57.092 56.287 0.083 0.000 0.938 452 K CB -0.120 32.408 32.500 0.046 0.000 0.718 452 K HN 0.094 nan 8.250 nan 0.000 0.442 453 I N 1.503 122.175 120.570 0.169 0.000 2.226 453 I HA -0.286 3.881 4.170 -0.006 0.000 0.245 453 I C 1.577 177.816 176.117 0.203 0.000 1.100 453 I CA 1.187 62.641 61.300 0.257 0.000 1.374 453 I CB -0.243 37.874 38.000 0.195 0.000 1.057 453 I HN 0.157 nan 8.210 nan 0.000 0.413 454 D N 0.534 121.012 120.400 0.129 0.000 2.144 454 D HA -0.125 4.512 4.640 -0.006 0.000 0.200 454 D C 2.321 178.675 176.300 0.091 0.000 0.978 454 D CA 0.886 54.937 54.000 0.086 0.000 0.833 454 D CB -0.205 40.634 40.800 0.066 0.000 0.961 454 D HN 0.205 nan 8.370 nan 0.000 0.470 455 R N -0.031 120.540 120.500 0.118 0.000 2.092 455 R HA -0.106 4.230 4.340 -0.006 0.000 0.231 455 R C 2.118 178.529 176.300 0.185 0.000 1.119 455 R CA 0.413 56.582 56.100 0.115 0.000 0.970 455 R CB -1.016 29.342 30.300 0.097 0.000 0.864 455 R HN 0.338 nan 8.270 nan 0.000 0.440 456 W N 1.955 123.257 121.300 0.004 0.000 2.358 456 W HA -0.092 4.565 4.660 -0.005 0.000 0.303 456 W C 2.068 178.581 176.519 -0.011 0.000 1.208 456 W CA 1.404 58.752 57.345 0.005 0.000 1.274 456 W CB -0.614 28.856 29.460 0.017 0.000 1.138 456 W HN 0.132 nan 8.180 nan 0.000 0.515 457 A N 0.095 122.924 122.820 0.016 0.000 1.933 457 A HA -0.212 4.105 4.320 -0.006 0.000 0.218 457 A C 1.869 179.373 177.584 -0.133 0.000 1.175 457 A CA 1.920 53.850 52.037 -0.178 0.000 0.628 457 A CB -0.711 18.205 19.000 -0.140 0.000 0.814 457 A HN 0.454 nan 8.150 nan 0.000 0.444 458 E N -0.341 119.837 120.200 -0.036 0.000 2.072 458 E HA -0.078 4.269 4.350 -0.006 0.000 0.190 458 E C 1.832 178.421 176.600 -0.019 0.000 0.982 458 E CA 1.049 57.428 56.400 -0.035 0.000 0.803 458 E CB -0.232 29.470 29.700 0.003 0.000 0.755 458 E HN 0.690 nan 8.360 nan 0.000 0.453 459 I N 0.888 121.484 120.570 0.043 0.000 2.226 459 I HA -0.274 3.893 4.170 -0.006 0.000 0.245 459 I C 2.228 178.364 176.117 0.030 0.000 1.100 459 I CA 0.994 62.337 61.300 0.070 0.000 1.374 459 I CB -0.157 37.937 38.000 0.158 0.000 1.057 459 I HN 0.118 nan 8.210 nan 0.000 0.413 460 L N 0.422 121.638 121.223 -0.013 0.000 2.083 460 L HA -0.187 4.149 4.340 -0.006 0.000 0.209 460 L C 2.832 179.602 176.870 -0.166 0.000 1.083 460 L CA 1.192 55.980 54.840 -0.086 0.000 0.752 460 L CB -0.658 41.264 42.059 -0.230 0.000 0.899 460 L HN 0.240 nan 8.230 nan 0.000 0.433 461 A N 0.341 123.032 122.820 -0.215 0.000 1.902 461 A HA -0.188 4.128 4.320 -0.006 0.000 0.217 461 A C 2.205 179.677 177.584 -0.187 0.000 1.181 461 A CA 1.535 53.410 52.037 -0.271 0.000 0.623 461 A CB -0.627 18.219 19.000 -0.257 0.000 0.818 461 A HN 0.354 nan 8.150 nan 0.000 0.443 462 I N -0.878 119.631 120.570 -0.101 0.000 2.226 462 I HA -0.222 3.944 4.170 -0.006 0.000 0.245 462 I C 2.420 178.484 176.117 -0.088 0.000 1.100 462 I CA 1.192 62.463 61.300 -0.050 0.000 1.374 462 I CB -0.266 37.739 38.000 0.008 0.000 1.057 462 I HN 0.397 nan 8.210 nan 0.000 0.413 463 L N 1.222 122.405 121.223 -0.067 0.000 2.046 463 L HA -0.136 4.200 4.340 -0.006 0.000 0.208 463 L C 2.530 179.350 176.870 -0.083 0.000 1.077 463 L CA 2.091 56.895 54.840 -0.060 0.000 0.747 463 L CB -0.799 41.263 42.059 0.005 0.000 0.896 463 L HN 0.179 nan 8.230 nan 0.000 0.432 464 A N -0.513 122.255 122.820 -0.088 0.000 1.902 464 A HA -0.156 4.161 4.320 -0.006 0.000 0.217 464 A C 2.256 179.779 177.584 -0.102 0.000 1.181 464 A CA 1.962 53.960 52.037 -0.066 0.000 0.623 464 A CB -0.877 18.043 19.000 -0.134 0.000 0.818 464 A HN 0.502 nan 8.150 nan 0.000 0.443 465 L N -1.002 120.129 121.223 -0.154 0.000 2.093 465 L HA -0.217 4.120 4.340 -0.006 0.000 0.208 465 L C 2.678 179.374 176.870 -0.290 0.000 1.085 465 L CA 1.017 55.790 54.840 -0.111 0.000 0.755 465 L CB -0.638 41.428 42.059 0.012 0.000 0.904 465 L HN 0.485 nan 8.230 nan 0.000 0.435 466 C N -0.225 118.775 119.300 -0.500 0.000 2.446 466 C HA -0.116 4.340 4.460 -0.006 0.000 0.277 466 C C 2.736 177.520 174.990 -0.344 0.000 1.275 466 C CA 0.434 59.004 59.018 -0.748 0.000 1.727 466 C CB -0.665 26.756 27.740 -0.531 0.000 2.010 466 C HN 0.426 nan 8.230 nan 0.000 0.486 467 L N 0.912 122.030 121.223 -0.175 0.000 2.093 467 L HA -0.128 4.209 4.340 -0.006 0.000 0.208 467 L C 2.861 179.711 176.870 -0.034 0.000 1.085 467 L CA 1.460 56.258 54.840 -0.070 0.000 0.755 467 L CB -0.714 41.340 42.059 -0.009 0.000 0.904 467 L HN 0.336 nan 8.230 nan 0.000 0.435 468 A N -0.263 122.543 122.820 -0.023 0.000 1.902 468 A HA -0.300 4.017 4.320 -0.006 0.000 0.217 468 A C 2.216 179.821 177.584 0.034 0.000 1.181 468 A CA 2.031 54.085 52.037 0.028 0.000 0.623 468 A CB -0.530 18.505 19.000 0.058 0.000 0.818 468 A HN 0.425 nan 8.150 nan 0.000 0.443 469 Q N -0.414 119.399 119.800 0.022 0.000 2.046 469 Q HA 0.004 4.341 4.340 -0.006 0.000 0.200 469 Q C 2.070 178.088 176.000 0.029 0.000 0.975 469 Q CA 2.030 57.877 55.803 0.074 0.000 0.836 469 Q CB -0.498 28.349 28.738 0.181 0.000 0.896 469 Q HN 0.548 nan 8.270 nan 0.000 0.428 470 A N 0.392 123.198 122.820 -0.024 0.000 1.933 470 A HA -0.076 4.241 4.320 -0.006 0.000 0.218 470 A C 2.293 179.877 177.584 -0.001 0.000 1.175 470 A CA 1.741 53.766 52.037 -0.019 0.000 0.628 470 A CB -1.179 17.795 19.000 -0.043 0.000 0.814 470 A HN 0.545 nan 8.150 nan 0.000 0.444 471 A N -0.023 122.801 122.820 0.007 0.000 1.902 471 A HA -0.189 4.127 4.320 -0.006 0.000 0.217 471 A C 1.923 179.519 177.584 0.020 0.000 1.181 471 A CA 1.690 53.738 52.037 0.017 0.000 0.623 471 A CB -0.532 18.484 19.000 0.027 0.000 0.818 471 A HN 0.652 nan 8.150 nan 0.000 0.443 472 E N -0.220 119.996 120.200 0.026 0.000 2.072 472 E HA -0.099 4.247 4.350 -0.006 0.000 0.191 472 E C 1.956 178.567 176.600 0.018 0.000 0.985 472 E CA 0.999 57.415 56.400 0.027 0.000 0.801 472 E CB -0.283 29.441 29.700 0.039 0.000 0.750 472 E HN 0.607 nan 8.360 nan 0.000 0.452 473 L N 0.543 121.775 121.223 0.015 0.000 2.046 473 L HA -0.175 4.162 4.340 -0.006 0.000 0.208 473 L C 2.670 179.539 176.870 -0.002 0.000 1.077 473 L CA 1.006 55.847 54.840 0.001 0.000 0.747 473 L CB -0.192 41.862 42.059 -0.008 0.000 0.896 473 L HN 0.022 nan 8.230 nan 0.000 0.432 474 R N -0.269 120.231 120.500 0.000 0.000 2.075 474 R HA -0.060 4.277 4.340 -0.006 0.000 0.226 474 R C 1.853 178.155 176.300 0.004 0.000 1.114 474 R CA 1.761 57.860 56.100 -0.000 0.000 0.972 474 R CB -0.466 29.835 30.300 0.000 0.000 0.869 474 R HN 0.365 nan 8.270 nan 0.000 0.437 475 C N -0.024 119.281 119.300 0.008 0.000 3.038 475 C HA 0.658 5.114 4.460 -0.006 0.000 0.279 475 C C 0.681 175.678 174.990 0.011 0.000 1.276 475 C CA -0.263 58.761 59.018 0.010 0.000 1.697 475 C CB -0.763 26.985 27.740 0.014 0.000 2.032 475 C HN 0.742 nan 8.230 nan 0.000 0.636 476 G N 1.595 110.402 108.800 0.012 0.000 2.746 476 G HA2 -0.132 3.824 3.960 -0.006 0.000 0.685 476 G HA3 -0.132 3.824 3.960 -0.006 0.000 0.685 476 G C 0.691 175.601 174.900 0.017 0.000 1.350 476 G CA 0.063 45.171 45.100 0.013 0.000 0.837 476 G HN 0.738 nan 8.290 nan 0.000 0.564 477 S N -0.831 114.880 115.700 0.018 0.000 2.419 477 S HA 0.050 4.517 4.470 -0.006 0.000 0.235 477 S C 2.353 176.966 174.600 0.021 0.000 1.019 477 S CA 1.943 60.156 58.200 0.022 0.000 0.982 477 S CB -0.187 63.026 63.200 0.021 0.000 0.789 477 S HN 2.176 nan 8.310 nan 0.000 0.490 478 G N 0.789 109.600 108.800 0.018 0.000 2.920 478 G HA2 0.372 4.329 3.960 -0.006 0.000 0.208 478 G HA3 0.372 4.329 3.960 -0.006 0.000 0.208 478 G C 0.515 175.426 174.900 0.018 0.000 1.159 478 G CA -0.152 44.958 45.100 0.017 0.000 0.784 478 G HN 0.597 nan 8.290 nan 0.000 0.535 479 L N 1.026 122.261 121.223 0.020 0.000 3.677 479 L HA -0.147 4.189 4.340 -0.006 0.000 0.464 479 L C -0.878 176.003 176.870 0.018 0.000 1.278 479 L CA -0.098 54.754 54.840 0.021 0.000 0.806 479 L CB -1.696 40.377 42.059 0.025 0.000 1.610 479 L HN 0.221 nan 8.230 nan 0.000 0.867 480 D N 1.427 121.836 120.400 0.015 0.000 2.450 480 D HA 0.287 4.923 4.640 -0.006 0.000 0.247 480 D C 1.362 177.670 176.300 0.013 0.000 1.162 480 D CA 1.338 55.346 54.000 0.013 0.000 0.879 480 D CB 1.353 42.160 40.800 0.011 0.000 1.163 480 D HN 0.551 nan 8.370 nan 0.000 0.472 481 G N 1.486 110.294 108.800 0.013 0.000 2.199 481 G HA2 -0.280 3.676 3.960 -0.006 0.000 0.254 481 G HA3 -0.280 3.676 3.960 -0.006 0.000 0.254 481 G C 0.455 175.365 174.900 0.016 0.000 0.982 481 G CA 0.081 45.189 45.100 0.013 0.000 0.632 481 G HN 0.513 nan 8.290 nan 0.000 0.529 482 V N 2.572 122.497 119.914 0.019 0.000 2.686 482 V HA 0.497 4.614 4.120 -0.006 0.000 0.295 482 V C 1.481 177.589 176.094 0.023 0.000 1.055 482 V CA 0.140 62.454 62.300 0.023 0.000 1.050 482 V CB 1.383 33.221 31.823 0.026 0.000 0.984 482 V HN 1.073 nan 8.190 nan 0.000 0.482 483 S N 4.944 120.661 115.700 0.028 0.000 2.569 483 S HA 0.108 4.575 4.470 -0.006 0.000 0.274 483 S C -1.710 172.902 174.600 0.021 0.000 1.353 483 S CA -0.589 57.627 58.200 0.026 0.000 1.023 483 S CB 0.447 63.668 63.200 0.035 0.000 0.876 483 S HN 0.585 nan 8.310 nan 0.000 0.540 484 P HA -0.049 nan 4.420 nan 0.000 0.216 484 P C 1.583 178.888 177.300 0.008 0.000 1.150 484 P CA 1.893 65.000 63.100 0.011 0.000 0.837 484 P CB -0.214 31.491 31.700 0.008 0.000 0.786 485 A N -0.321 122.501 122.820 0.005 0.000 1.898 485 A HA -0.036 4.280 4.320 -0.006 0.000 0.216 485 A C 2.469 180.053 177.584 -0.002 0.000 1.181 485 A CA 1.944 53.976 52.037 -0.008 0.000 0.620 485 A CB -1.826 17.164 19.000 -0.016 0.000 0.819 485 A HN 0.267 nan 8.150 nan 0.000 0.442 486 G N -0.282 108.527 108.800 0.015 0.000 2.418 486 G HA2 -0.215 3.742 3.960 -0.006 0.000 0.217 486 G HA3 -0.215 3.742 3.960 -0.006 0.000 0.217 486 G C 1.682 176.601 174.900 0.031 0.000 1.158 486 G CA 1.087 46.203 45.100 0.027 0.000 0.771 486 G HN 0.560 nan 8.290 nan 0.000 0.545 487 K N 0.195 120.611 120.400 0.026 0.000 2.026 487 K HA -0.056 4.260 4.320 -0.006 0.000 0.208 487 K C 2.444 179.063 176.600 0.031 0.000 1.048 487 K CA 1.304 57.608 56.287 0.029 0.000 0.929 487 K CB -0.149 32.365 32.500 0.023 0.000 0.713 487 K HN 0.244 nan 8.250 nan 0.000 0.439 488 K N 1.375 121.788 120.400 0.022 0.000 2.097 488 K HA -0.137 4.179 4.320 -0.006 0.000 0.206 488 K C 2.141 178.762 176.600 0.035 0.000 1.049 488 K CA 0.944 57.244 56.287 0.022 0.000 0.933 488 K CB -0.054 32.450 32.500 0.007 0.000 0.717 488 K HN 0.111 nan 8.250 nan 0.000 0.442 489 L N 0.534 121.777 121.223 0.033 0.000 2.005 489 L HA -0.156 4.181 4.340 -0.006 0.000 0.207 489 L C 2.067 179.003 176.870 0.109 0.000 1.072 489 L CA 1.039 55.917 54.840 0.063 0.000 0.744 489 L CB -0.150 41.932 42.059 0.038 0.000 0.895 489 L HN -0.002 nan 8.230 nan 0.000 0.433 490 V N -0.029 119.937 119.914 0.086 0.000 2.343 490 V HA -0.316 3.800 4.120 -0.006 0.000 0.247 490 V C 2.468 178.613 176.094 0.086 0.000 1.051 490 V CA 2.013 64.367 62.300 0.089 0.000 1.036 490 V CB -0.670 31.193 31.823 0.067 0.000 0.654 490 V HN 0.549 nan 8.190 nan 0.000 0.451 491 Q N -0.180 119.661 119.800 0.067 0.000 2.124 491 Q HA -0.166 4.171 4.340 -0.006 0.000 0.202 491 Q C 2.427 178.466 176.000 0.065 0.000 0.977 491 Q CA 1.766 57.603 55.803 0.057 0.000 0.850 491 Q CB -0.420 28.343 28.738 0.041 0.000 0.901 491 Q HN 0.686 nan 8.270 nan 0.000 0.429 492 A N 0.844 123.712 122.820 0.080 0.000 1.877 492 A HA -0.154 4.162 4.320 -0.006 0.000 0.216 492 A C 2.064 179.715 177.584 0.111 0.000 1.186 492 A CA 1.062 53.152 52.037 0.089 0.000 0.620 492 A CB -0.677 18.393 19.000 0.117 0.000 0.822 492 A HN 0.285 nan 8.150 nan 0.000 0.443 493 L N -1.033 120.286 121.223 0.160 0.000 2.046 493 L HA -0.161 4.176 4.340 -0.006 0.000 0.208 493 L C 2.644 179.651 176.870 0.230 0.000 1.077 493 L CA 1.012 55.992 54.840 0.234 0.000 0.747 493 L CB -0.448 41.730 42.059 0.199 0.000 0.896 493 L HN 0.266 nan 8.230 nan 0.000 0.432 494 R N 0.323 120.907 120.500 0.140 0.000 2.285 494 R HA -0.126 4.211 4.340 -0.006 0.000 0.213 494 R C 1.851 178.172 176.300 0.034 0.000 1.068 494 R CA 0.685 56.844 56.100 0.098 0.000 1.004 494 R CB -0.368 29.977 30.300 0.075 0.000 0.873 494 R HN 0.541 nan 8.270 nan 0.000 0.467 495 E N 0.012 120.220 120.200 0.014 0.000 2.150 495 E HA -0.145 4.202 4.350 -0.006 0.000 0.193 495 E C 1.495 178.021 176.600 -0.124 0.000 0.985 495 E CA 0.848 57.225 56.400 -0.039 0.000 0.814 495 E CB 0.267 29.949 29.700 -0.031 0.000 0.752 495 E HN 0.223 nan 8.360 nan 0.000 0.466 496 Q N -1.216 118.451 119.800 -0.222 0.000 2.322 496 Q HA 0.130 4.467 4.340 -0.006 0.000 0.250 496 Q C -0.361 175.167 176.000 -0.787 0.000 0.853 496 Q CA 0.288 55.760 55.803 -0.553 0.000 0.951 496 Q CB 0.896 29.136 28.738 -0.831 0.000 1.114 496 Q HN 0.119 nan 8.270 nan 0.000 0.523 497 F N 2.174 122.114 119.950 -0.016 0.000 2.382 497 F HA 0.423 4.946 4.527 -0.006 0.000 0.361 497 F C -2.135 173.678 175.800 0.020 0.000 1.109 497 F CA -2.640 55.361 58.000 0.002 0.000 1.031 497 F CB 1.276 40.279 39.000 0.005 0.000 1.234 497 F HN -0.189 nan 8.300 nan 0.000 0.445 498 P HA 0.131 nan 4.420 nan 0.000 0.272 498 P C -2.347 175.025 177.300 0.119 0.000 1.230 498 P CA -0.948 62.205 63.100 0.088 0.000 0.788 498 P CB 0.017 31.743 31.700 0.044 0.000 0.949 499 P HA 0.051 nan 4.420 nan 0.000 0.272 499 P C -0.632 176.722 177.300 0.091 0.000 1.240 499 P CA -0.129 63.039 63.100 0.113 0.000 0.791 499 P CB 0.483 32.235 31.700 0.086 0.000 0.978 500 L N 1.864 123.148 121.223 0.102 0.000 2.389 500 L HA 0.154 4.491 4.340 -0.006 0.000 0.265 500 L C 1.335 178.220 176.870 0.024 0.000 1.167 500 L CA 0.395 55.243 54.840 0.013 0.000 1.045 500 L CB -0.859 41.129 42.059 -0.119 0.000 1.351 500 L HN 0.305 nan 8.230 nan 0.000 0.419 501 E N 0.755 120.969 120.200 0.022 0.000 2.158 501 E HA -0.016 4.331 4.350 -0.006 0.000 0.191 501 E C 0.276 176.890 176.600 0.024 0.000 0.982 501 E CA 0.695 57.111 56.400 0.027 0.000 0.823 501 E CB 0.339 30.052 29.700 0.023 0.000 0.766 501 E HN 0.579 nan 8.360 nan 0.000 0.468 502 T N 0.006 114.562 114.554 0.004 0.000 2.894 502 T HA 0.118 4.465 4.350 -0.006 0.000 0.309 502 T C -1.755 172.925 174.700 -0.033 0.000 1.208 502 T CA -1.017 61.084 62.100 0.001 0.000 1.016 502 T CB 1.366 70.236 68.868 0.003 0.000 1.192 502 T HN -0.225 nan 8.240 nan 0.000 0.491 503 D N 2.745 123.122 120.400 -0.039 0.000 2.525 503 D HA 0.318 4.955 4.640 -0.006 0.000 0.235 503 D C 0.580 176.838 176.300 -0.069 0.000 1.137 503 D CA 0.673 54.628 54.000 -0.075 0.000 0.868 503 D CB 0.369 41.132 40.800 -0.063 0.000 1.180 503 D HN 0.666 nan 8.370 nan 0.000 0.465 504 R N 0.522 120.967 120.500 -0.092 0.000 2.710 504 R HA 0.621 4.957 4.340 -0.006 0.000 0.270 504 R C -3.130 173.129 176.300 -0.068 0.000 1.021 504 R CA -1.688 54.373 56.100 -0.064 0.000 0.889 504 R CB 0.310 30.581 30.300 -0.047 0.000 1.243 504 R HN -0.000 nan 8.270 nan 0.000 0.464 505 P HA 0.137 nan 4.420 nan 0.000 0.267 505 P C -0.293 176.994 177.300 -0.022 0.000 1.205 505 P CA -0.228 62.853 63.100 -0.031 0.000 0.765 505 P CB 0.597 32.287 31.700 -0.017 0.000 0.828 506 L N 1.664 122.874 121.223 -0.021 0.000 2.731 506 L HA 0.176 4.512 4.340 -0.006 0.000 0.240 506 L C 2.289 179.172 176.870 0.021 0.000 1.120 506 L CA 0.376 55.218 54.840 0.003 0.000 0.913 506 L CB -0.280 41.775 42.059 -0.007 0.000 1.213 506 L HN 0.531 nan 8.230 nan 0.000 0.515 507 G N 0.127 108.935 108.800 0.013 0.000 2.476 507 G HA2 -0.300 3.657 3.960 -0.006 0.000 0.218 507 G HA3 -0.300 3.657 3.960 -0.006 0.000 0.218 507 G C 1.414 176.328 174.900 0.024 0.000 1.164 507 G CA 0.697 45.806 45.100 0.015 0.000 0.768 507 G HN 0.364 nan 8.290 nan 0.000 0.560 508 Q N -0.195 119.624 119.800 0.033 0.000 2.119 508 Q HA -0.060 4.277 4.340 -0.006 0.000 0.201 508 Q C 2.533 178.583 176.000 0.084 0.000 0.972 508 Q CA 1.207 57.038 55.803 0.047 0.000 0.847 508 Q CB -0.074 28.688 28.738 0.041 0.000 0.903 508 Q HN 0.618 nan 8.270 nan 0.000 0.433 509 E N 0.493 120.760 120.200 0.111 0.000 2.106 509 E HA -0.150 4.196 4.350 -0.006 0.000 0.192 509 E C 1.933 178.551 176.600 0.029 0.000 0.984 509 E CA 0.747 57.271 56.400 0.206 0.000 0.806 509 E CB -0.001 29.846 29.700 0.245 0.000 0.750 509 E HN 0.332 nan 8.360 nan 0.000 0.458 510 I N 1.077 121.637 120.570 -0.018 0.000 2.179 510 I HA -0.288 3.879 4.170 -0.006 0.000 0.242 510 I C 2.539 178.618 176.117 -0.063 0.000 1.088 510 I CA 1.040 62.295 61.300 -0.075 0.000 1.357 510 I CB -0.307 37.676 38.000 -0.029 0.000 1.051 510 I HN 0.095 nan 8.210 nan 0.000 0.409 511 A N 0.667 123.481 122.820 -0.010 0.000 1.902 511 A HA -0.174 4.142 4.320 -0.006 0.000 0.217 511 A C 2.527 180.120 177.584 0.015 0.000 1.181 511 A CA 1.929 53.967 52.037 0.001 0.000 0.623 511 A CB -0.843 18.168 19.000 0.018 0.000 0.818 511 A HN 0.445 nan 8.150 nan 0.000 0.443 512 A N -0.650 122.208 122.820 0.063 0.000 1.898 512 A HA 0.003 4.319 4.320 -0.006 0.000 0.216 512 A C 2.123 179.781 177.584 0.123 0.000 1.181 512 A CA 1.707 53.820 52.037 0.126 0.000 0.620 512 A CB -0.589 18.549 19.000 0.231 0.000 0.819 512 A HN 0.664 nan 8.150 nan 0.000 0.442 513 L N -0.204 121.016 121.223 -0.004 0.000 2.056 513 L HA 0.003 4.339 4.340 -0.006 0.000 0.207 513 L C 2.646 179.413 176.870 -0.171 0.000 1.078 513 L CA 2.048 56.775 54.840 -0.189 0.000 0.749 513 L CB -0.914 40.756 42.059 -0.648 0.000 0.901 513 L HN 0.343 nan 8.230 nan 0.000 0.433 514 A N -1.454 121.270 122.820 -0.161 0.000 1.908 514 A HA -0.241 4.076 4.320 -0.006 0.000 0.218 514 A C 2.270 179.790 177.584 -0.107 0.000 1.181 514 A CA 2.413 54.353 52.037 -0.161 0.000 0.627 514 A CB -1.276 17.663 19.000 -0.103 0.000 0.818 514 A HN 0.506 nan 8.150 nan 0.000 0.445 515 T N -1.444 113.090 114.554 -0.033 0.000 2.759 515 T HA -0.184 4.163 4.350 -0.006 0.000 0.269 515 T C 1.843 176.545 174.700 0.003 0.000 1.042 515 T CA 1.964 64.065 62.100 0.002 0.000 1.140 515 T CB -0.401 68.490 68.868 0.037 0.000 0.864 515 T HN 0.818 nan 8.240 nan 0.000 0.455 516 H N 1.043 120.066 119.070 -0.077 0.000 2.326 516 H HA 0.108 4.661 4.556 -0.005 0.000 0.301 516 H C 2.038 177.282 175.328 -0.141 0.000 1.081 516 H CA 1.225 57.230 56.048 -0.071 0.000 1.334 516 H CB -0.477 29.266 29.762 -0.032 0.000 1.385 516 H HN 0.230 nan 8.280 nan 0.000 0.504 517 L N 0.040 121.081 121.223 -0.304 0.000 2.079 517 L HA -0.196 4.141 4.340 -0.006 0.000 0.210 517 L C 2.339 179.050 176.870 -0.267 0.000 1.081 517 L CA 1.112 55.628 54.840 -0.540 0.000 0.752 517 L CB -0.535 41.020 42.059 -0.839 0.000 0.896 517 L HN 0.346 nan 8.230 nan 0.000 0.433 518 L N -0.871 120.237 121.223 -0.191 0.000 2.362 518 L HA -0.167 4.170 4.340 -0.006 0.000 0.219 518 L C 2.227 179.066 176.870 -0.053 0.000 1.134 518 L CA 0.984 55.778 54.840 -0.076 0.000 0.807 518 L CB -0.234 41.812 42.059 -0.022 0.000 0.927 518 L HN 0.374 nan 8.230 nan 0.000 0.447 519 Q N -1.507 118.168 119.800 -0.209 0.000 2.316 519 Q HA 0.192 4.528 4.340 -0.006 0.000 0.235 519 Q C -0.010 175.556 176.000 -0.723 0.000 0.863 519 Q CA 0.086 55.729 55.803 -0.266 0.000 0.939 519 Q CB 1.048 29.729 28.738 -0.095 0.000 1.108 519 Q HN 0.442 nan 8.270 nan 0.000 0.522 520 Q N -0.351 118.968 119.800 -0.802 0.000 2.416 520 Q HA 0.468 4.804 4.340 -0.006 0.000 0.281 520 Q C -1.290 174.564 176.000 -0.243 0.000 1.067 520 Q CA -0.429 54.976 55.803 -0.663 0.000 0.809 520 Q CB 2.719 31.200 28.738 -0.428 0.000 1.418 520 Q HN -0.063 nan 8.270 nan 0.000 0.411 521 S N 1.824 117.464 115.700 -0.101 0.000 2.690 521 S HA 0.557 5.023 4.470 -0.006 0.000 0.291 521 S C -2.408 171.989 174.600 -0.339 0.000 1.138 521 S CA -1.166 56.944 58.200 -0.150 0.000 1.013 521 S CB 1.027 64.195 63.200 -0.054 0.000 1.053 521 S HN 0.431 nan 8.310 nan 0.000 0.539 522 P HA 0.233 nan 4.420 nan 0.000 0.256 522 P C -0.526 176.569 177.300 -0.342 0.000 1.689 522 P CA -0.178 62.519 63.100 -0.673 0.000 1.124 522 P CB -0.169 30.814 31.700 -1.195 0.000 1.766 523 V N 0.000 119.806 119.914 -0.180 0.000 2.409 523 V HA 0.000 4.117 4.120 -0.006 0.000 0.244 523 V CA 0.000 62.233 62.300 -0.112 0.000 1.235 523 V CB 0.000 31.776 31.823 -0.078 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556