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 2cag_1_A DATA FIRST_RESID 4 DATA SEQUENCE KKLTTAAGAP VVDNNNVITA GPRGPMLLQD VWFLEKLAHF DREVIPERRX DATA SEQUENCE HAKGSGAFGT FTVTHDITKY TRAKIFSEVG KKTEMFARFS TVAGERGAAD DATA SEQUENCE AERDIRGFAL KFYTEEGNWD MVGNNTPVFY LRDPLKFPDL NHIVKRDPRT DATA SEQUENCE NMRNMAYKWD FFSHLPESLH QLTIDMSDRG LPLSYRFVHG FGSHTYSFIN DATA SEQUENCE KDNERFWVKF HFRCQQGIKN LMDDEAEALV GKDRESSQRD LFEAIERGDY DATA SEQUENCE PRWKLQIQIM PEKEASTVPY NPFDLTKVWP HADYPLMDVG YFELNRNPDN DATA SEQUENCE YFSDVEQAAF SPANIVPGIS FSPDKMLQGR LFSYGDAHRY RLGVNHHQIP DATA SEQUENCE VNAPKCPFHN YHRDGAMRVD GNSGNGITYE PNSGGVFQEQ PDFKEPPLSI DATA SEQUENCE EGAADHWNHR EDEDYFSQPR ALYELLSDDE HQRMFARIAG ELSQASKETQ DATA SEQUENCE QRQIDLFTKV HPEYGAGVEK AIKVL 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.580 176.600 -0.033 0.000 0.988 4 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 4 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 5 K N 2.023 122.398 120.400 -0.042 0.000 2.172 5 K HA 0.275 4.595 4.320 -0.000 0.000 0.276 5 K C -0.790 175.759 176.600 -0.085 0.000 1.013 5 K CA -0.549 55.701 56.287 -0.062 0.000 0.913 5 K CB 1.235 33.699 32.500 -0.059 0.000 1.055 5 K HN -0.059 nan 8.250 nan 0.000 0.461 6 L N 3.485 124.633 121.223 -0.125 0.000 2.313 6 L HA 0.154 4.493 4.340 -0.000 0.000 0.282 6 L C 0.003 176.727 176.870 -0.242 0.000 1.092 6 L CA 0.531 55.261 54.840 -0.183 0.000 0.831 6 L CB 0.608 42.526 42.059 -0.235 0.000 1.159 6 L HN 0.762 nan 8.230 nan 0.000 0.442 7 T N 0.555 114.988 114.554 -0.202 0.000 2.942 7 T HA 0.713 5.063 4.350 -0.000 0.000 0.289 7 T C 0.405 174.988 174.700 -0.195 0.000 1.044 7 T CA -0.118 61.869 62.100 -0.188 0.000 1.023 7 T CB 1.210 70.022 68.868 -0.094 0.000 1.123 7 T HN 0.725 nan 8.240 nan 0.000 0.512 8 T N -0.971 113.512 114.554 -0.119 0.000 2.729 8 T HA 0.504 4.854 4.350 -0.000 0.000 0.298 8 T C 1.814 176.549 174.700 0.058 0.000 1.013 8 T CA -0.278 61.861 62.100 0.065 0.000 0.957 8 T CB -0.172 68.776 68.868 0.134 0.000 1.130 8 T HN 0.969 nan 8.240 nan 0.000 0.526 9 A N -0.281 122.585 122.820 0.078 0.000 2.172 9 A HA 0.398 4.718 4.320 -0.000 0.000 0.216 9 A C 2.139 179.741 177.584 0.031 0.000 1.154 9 A CA 1.043 53.091 52.037 0.019 0.000 0.701 9 A CB -1.116 17.870 19.000 -0.023 0.000 0.789 9 A HN 1.191 nan 8.150 nan 0.000 0.465 10 A N -2.452 120.390 122.820 0.037 0.000 2.503 10 A HA 0.500 4.819 4.320 -0.000 0.000 0.263 10 A C 1.449 179.042 177.584 0.014 0.000 1.258 10 A CA 0.918 52.972 52.037 0.029 0.000 0.936 10 A CB -0.349 18.674 19.000 0.038 0.000 1.070 10 A HN 1.649 nan 8.150 nan 0.000 0.522 11 G N -1.225 107.576 108.800 0.002 0.000 2.259 11 G HA2 0.124 4.083 3.960 -0.000 0.000 0.217 11 G HA3 0.124 4.083 3.960 -0.000 0.000 0.217 11 G C 0.576 175.460 174.900 -0.027 0.000 1.001 11 G CA -0.025 45.067 45.100 -0.012 0.000 0.627 11 G HN 1.608 nan 8.290 nan 0.000 0.501 12 A N 2.386 125.191 122.820 -0.024 0.000 2.388 12 A HA 0.661 4.981 4.320 -0.000 0.000 0.257 12 A C -1.464 176.069 177.584 -0.085 0.000 1.095 12 A CA -0.622 51.391 52.037 -0.039 0.000 0.791 12 A CB 0.200 19.189 19.000 -0.018 0.000 1.029 12 A HN 0.280 nan 8.150 nan 0.000 0.489 13 P HA 0.131 nan 4.420 nan 0.000 0.265 13 P C -0.063 177.113 177.300 -0.207 0.000 1.193 13 P CA 0.271 63.287 63.100 -0.140 0.000 0.765 13 P CB 0.617 32.256 31.700 -0.101 0.000 0.823 14 V N 2.606 122.316 119.914 -0.340 0.000 2.407 14 V HA 0.147 4.266 4.120 -0.000 0.000 0.278 14 V C 1.198 177.108 176.094 -0.307 0.000 1.037 14 V CA -0.207 61.811 62.300 -0.471 0.000 0.900 14 V CB 1.169 32.358 31.823 -1.058 0.000 0.983 14 V HN 0.407 nan 8.190 nan 0.000 0.459 15 V N 3.268 123.058 119.914 -0.207 0.000 2.302 15 V HA 0.136 4.256 4.120 -0.000 0.000 0.243 15 V C 0.701 176.732 176.094 -0.106 0.000 1.036 15 V CA 2.200 64.427 62.300 -0.122 0.000 1.020 15 V CB -0.077 31.705 31.823 -0.068 0.000 0.657 15 V HN 1.131 nan 8.190 nan 0.000 0.453 16 D N -0.554 119.795 120.400 -0.085 0.000 2.575 16 D HA 0.233 4.872 4.640 -0.000 0.000 0.250 16 D C -0.229 176.078 176.300 0.013 0.000 1.279 16 D CA -0.303 53.679 54.000 -0.029 0.000 0.925 16 D CB 1.125 41.931 40.800 0.011 0.000 1.261 16 D HN 0.231 nan 8.370 nan 0.000 0.567 17 N N 2.891 121.592 118.700 0.002 0.000 2.313 17 N HA 0.132 4.872 4.740 -0.000 0.000 0.207 17 N C -0.180 175.421 175.510 0.152 0.000 1.141 17 N CA 0.264 53.391 53.050 0.129 0.000 0.830 17 N CB 0.133 38.657 38.487 0.060 0.000 1.008 17 N HN 0.292 nan 8.380 nan 0.000 0.481 18 N N -1.518 117.241 118.700 0.098 0.000 2.129 18 N HA 0.207 4.947 4.740 -0.000 0.000 0.222 18 N C -1.237 174.311 175.510 0.063 0.000 1.303 18 N CA -0.264 52.831 53.050 0.076 0.000 0.897 18 N CB 0.534 39.046 38.487 0.043 0.000 1.093 18 N HN 0.054 nan 8.380 nan 0.000 0.501 19 N N 0.874 119.614 118.700 0.066 0.000 2.296 19 N HA 0.299 5.038 4.740 -0.000 0.000 0.294 19 N C -0.564 174.981 175.510 0.058 0.000 1.033 19 N CA -0.444 52.633 53.050 0.045 0.000 0.839 19 N CB 2.944 41.446 38.487 0.025 0.000 1.395 19 N HN -0.162 nan 8.380 nan 0.000 0.479 20 V N -0.394 119.536 119.914 0.027 0.000 3.385 20 V HA 0.469 4.589 4.120 -0.000 0.000 0.301 20 V C 0.751 176.844 176.094 -0.002 0.000 1.082 20 V CA -0.667 61.639 62.300 0.010 0.000 1.085 20 V CB 0.504 32.260 31.823 -0.110 0.000 1.152 20 V HN 0.470 nan 8.190 nan 0.000 0.465 21 I N 1.730 122.300 120.570 -0.001 0.000 2.352 21 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 21 I C 0.384 176.483 176.117 -0.031 0.000 1.036 21 I CA 0.588 61.887 61.300 -0.002 0.000 1.336 21 I CB 1.126 39.136 38.000 0.017 0.000 1.407 21 I HN 0.895 nan 8.210 nan 0.000 0.497 22 T N 5.073 119.611 114.554 -0.027 0.000 2.893 22 T HA 0.631 4.981 4.350 -0.000 0.000 0.291 22 T C -0.495 174.192 174.700 -0.022 0.000 1.028 22 T CA -0.613 61.466 62.100 -0.035 0.000 0.995 22 T CB 1.401 70.245 68.868 -0.040 0.000 1.051 22 T HN 0.606 nan 8.240 nan 0.000 0.470 23 A N 2.995 125.802 122.820 -0.022 0.000 2.527 23 A HA 0.673 4.993 4.320 -0.000 0.000 0.313 23 A C 1.044 178.620 177.584 -0.014 0.000 1.410 23 A CA 0.376 52.404 52.037 -0.015 0.000 1.060 23 A CB -1.301 17.691 19.000 -0.014 0.000 1.137 23 A HN 1.916 nan 8.150 nan 0.000 0.542 24 G N 3.927 112.720 108.800 -0.012 0.000 2.755 24 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 24 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 24 G C -1.126 173.766 174.900 -0.013 0.000 1.427 24 G CA -0.274 44.819 45.100 -0.011 0.000 0.873 24 G HN 0.548 nan 8.290 nan 0.000 0.580 25 P HA -0.118 nan 4.420 nan 0.000 0.223 25 P C 0.974 178.265 177.300 -0.015 0.000 1.144 25 P CA 1.417 64.510 63.100 -0.012 0.000 0.783 25 P CB 0.223 31.917 31.700 -0.009 0.000 0.771 26 R N -0.430 120.061 120.500 -0.015 0.000 2.617 26 R HA 0.392 4.732 4.340 -0.000 0.000 0.432 26 R C 0.177 176.465 176.300 -0.019 0.000 1.018 26 R CA -0.194 55.896 56.100 -0.017 0.000 1.077 26 R CB 0.513 30.805 30.300 -0.013 0.000 1.394 26 R HN 0.075 nan 8.270 nan 0.000 0.608 27 G N 0.705 109.492 108.800 -0.022 0.000 2.644 27 G HA2 0.489 4.449 3.960 -0.000 0.000 0.307 27 G HA3 0.489 4.449 3.960 -0.000 0.000 0.307 27 G C -2.546 172.335 174.900 -0.032 0.000 1.250 27 G CA -1.381 43.705 45.100 -0.023 0.000 0.996 27 G HN -0.006 nan 8.290 nan 0.000 0.489 28 P HA -0.021 nan 4.420 nan 0.000 0.269 28 P C -0.166 177.101 177.300 -0.056 0.000 1.205 28 P CA 0.346 63.420 63.100 -0.042 0.000 0.780 28 P CB 0.635 32.316 31.700 -0.033 0.000 0.858 29 M N 1.192 120.743 119.600 -0.082 0.000 2.235 29 M HA 0.169 4.649 4.480 -0.000 0.000 0.351 29 M C 0.228 176.483 176.300 -0.075 0.000 1.178 29 M CA -0.567 54.668 55.300 -0.109 0.000 1.143 29 M CB 0.282 32.761 32.600 -0.200 0.000 1.530 29 M HN 0.189 nan 8.290 nan 0.000 0.461 30 L N 2.436 123.625 121.223 -0.057 0.000 2.334 30 L HA 0.194 4.534 4.340 -0.000 0.000 0.277 30 L C 0.977 177.842 176.870 -0.009 0.000 1.075 30 L CA 0.336 55.162 54.840 -0.024 0.000 0.804 30 L CB 0.982 43.036 42.059 -0.009 0.000 1.174 30 L HN 0.727 nan 8.230 nan 0.000 0.438 31 L N 2.133 123.363 121.223 0.011 0.000 2.265 31 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 31 L C 1.779 178.683 176.870 0.057 0.000 1.117 31 L CA 1.129 55.991 54.840 0.037 0.000 0.782 31 L CB 0.032 42.112 42.059 0.035 0.000 0.914 31 L HN 0.898 nan 8.230 nan 0.000 0.441 32 Q N -1.704 118.124 119.800 0.046 0.000 2.415 32 Q HA -0.048 4.292 4.340 -0.000 0.000 0.206 32 Q C 0.233 176.282 176.000 0.082 0.000 0.946 32 Q CA -0.027 55.811 55.803 0.059 0.000 0.951 32 Q CB -0.203 28.561 28.738 0.043 0.000 1.026 32 Q HN 0.142 nan 8.270 nan 0.000 0.510 33 D N 1.978 122.437 120.400 0.097 0.000 2.498 33 D HA -0.007 4.633 4.640 -0.000 0.000 0.229 33 D C 1.212 177.633 176.300 0.201 0.000 1.188 33 D CA -0.138 53.950 54.000 0.146 0.000 1.028 33 D CB 1.195 42.079 40.800 0.140 0.000 1.087 33 D HN 0.227 nan 8.370 nan 0.000 0.510 34 V N 2.431 122.449 119.914 0.173 0.000 2.759 34 V HA -0.080 4.039 4.120 -0.000 0.000 0.256 34 V C 2.110 178.332 176.094 0.212 0.000 1.080 34 V CA 0.591 62.989 62.300 0.165 0.000 1.101 34 V CB -0.923 30.980 31.823 0.133 0.000 0.698 34 V HN 0.591 nan 8.190 nan 0.000 0.477 35 W N 0.578 121.919 121.300 0.068 0.000 2.355 35 W HA -0.243 4.417 4.660 0.000 0.000 0.309 35 W C 2.306 178.856 176.519 0.052 0.000 1.206 35 W CA 1.678 59.050 57.345 0.044 0.000 1.284 35 W CB -0.375 29.109 29.460 0.040 0.000 1.145 35 W HN 0.393 nan 8.180 nan 0.000 0.502 36 F N 1.626 121.513 119.950 -0.105 0.000 2.065 36 F HA -0.313 4.214 4.527 -0.000 0.000 0.298 36 F C 2.153 177.826 175.800 -0.212 0.000 1.112 36 F CA 2.151 60.026 58.000 -0.208 0.000 1.212 36 F CB -1.115 37.849 39.000 -0.061 0.000 0.975 36 F HN -0.185 nan 8.300 nan 0.000 0.476 37 L N 0.839 121.950 121.223 -0.187 0.000 1.989 37 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 37 L C 2.572 179.290 176.870 -0.252 0.000 1.071 37 L CA 2.240 56.957 54.840 -0.205 0.000 0.749 37 L CB -1.306 40.771 42.059 0.030 0.000 0.890 37 L HN 0.346 nan 8.230 nan 0.000 0.431 38 E N -0.637 119.450 120.200 -0.188 0.000 2.051 38 E HA -0.288 4.062 4.350 -0.000 0.000 0.192 38 E C 2.281 178.704 176.600 -0.295 0.000 0.991 38 E CA 1.373 57.698 56.400 -0.125 0.000 0.799 38 E CB 0.000 29.670 29.700 -0.050 0.000 0.748 38 E HN 0.374 nan 8.360 nan 0.000 0.449 39 K N 0.113 120.068 120.400 -0.742 0.000 2.026 39 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 39 K C 2.120 178.472 176.600 -0.413 0.000 1.048 39 K CA 1.137 56.935 56.287 -0.814 0.000 0.929 39 K CB -0.019 31.729 32.500 -1.253 0.000 0.713 39 K HN 0.087 nan 8.250 nan 0.000 0.439 40 L N 0.359 121.281 121.223 -0.501 0.000 2.240 40 L HA 0.033 4.373 4.340 -0.000 0.000 0.211 40 L C 2.240 179.035 176.870 -0.124 0.000 1.106 40 L CA 1.149 55.806 54.840 -0.306 0.000 0.793 40 L CB -0.212 41.475 42.059 -0.619 0.000 0.927 40 L HN 0.221 nan 8.230 nan 0.000 0.446 41 A N -1.454 121.264 122.820 -0.170 0.000 1.930 41 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 41 A C 2.200 179.709 177.584 -0.125 0.000 1.175 41 A CA 1.304 53.265 52.037 -0.126 0.000 0.627 41 A CB -0.633 18.294 19.000 -0.121 0.000 0.815 41 A HN 0.456 nan 8.150 nan 0.000 0.443 42 H N -2.378 116.614 119.070 -0.130 0.000 2.372 42 H HA -0.069 4.487 4.556 -0.000 0.000 0.301 42 H C 2.006 177.283 175.328 -0.086 0.000 1.065 42 H CA 1.680 57.666 56.048 -0.103 0.000 1.364 42 H CB -0.315 29.389 29.762 -0.096 0.000 1.406 42 H HN 0.607 nan 8.280 nan 0.000 0.521 43 F N 2.689 122.591 119.950 -0.080 0.000 2.095 43 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 43 F C 1.747 177.484 175.800 -0.105 0.000 1.104 43 F CA 1.399 59.336 58.000 -0.105 0.000 1.232 43 F CB -0.341 38.578 39.000 -0.136 0.000 0.987 43 F HN -0.053 nan 8.300 nan 0.000 0.475 44 D N 0.331 120.532 120.400 -0.331 0.000 2.357 44 D HA -0.155 4.485 4.640 -0.000 0.000 0.216 44 D C 1.540 177.639 176.300 -0.335 0.000 0.973 44 D CA 1.074 54.836 54.000 -0.397 0.000 0.912 44 D CB -0.282 40.413 40.800 -0.176 0.000 0.900 44 D HN 0.437 nan 8.370 nan 0.000 0.501 45 R N -0.026 120.307 120.500 -0.279 0.000 2.613 45 R HA 0.169 4.509 4.340 -0.000 0.000 0.361 45 R C 1.003 177.179 176.300 -0.207 0.000 1.072 45 R CA -0.096 55.874 56.100 -0.217 0.000 1.089 45 R CB 0.549 30.735 30.300 -0.190 0.000 1.343 45 R HN 0.147 nan 8.270 nan 0.000 0.571 46 E N 0.578 120.623 120.200 -0.258 0.000 2.418 46 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 46 E C 0.745 177.217 176.600 -0.213 0.000 1.026 46 E CA 0.659 56.912 56.400 -0.244 0.000 0.862 46 E CB 0.459 30.012 29.700 -0.245 0.000 0.799 46 E HN 0.068 nan 8.360 nan 0.000 0.518 47 V N 0.532 120.360 119.914 -0.143 0.000 2.581 47 V HA 0.495 4.615 4.120 -0.000 0.000 0.303 47 V C -0.317 175.775 176.094 -0.003 0.000 1.041 47 V CA -0.985 61.288 62.300 -0.045 0.000 0.907 47 V CB 1.284 33.081 31.823 -0.043 0.000 0.994 47 V HN 0.112 nan 8.190 nan 0.000 0.442 48 I N 2.520 123.142 120.570 0.086 0.000 2.822 48 I HA 0.784 4.953 4.170 -0.000 0.000 0.312 48 I C -2.409 173.715 176.117 0.011 0.000 1.011 48 I CA -2.625 58.696 61.300 0.035 0.000 1.105 48 I CB 1.213 39.260 38.000 0.077 0.000 1.291 48 I HN 0.405 nan 8.210 nan 0.000 0.474 49 P HA 0.040 nan 4.420 nan 0.000 0.265 49 P C -0.908 176.415 177.300 0.038 0.000 1.187 49 P CA 0.018 63.118 63.100 -0.001 0.000 0.766 49 P CB 0.366 32.048 31.700 -0.029 0.000 0.820 50 E N 2.305 122.543 120.200 0.063 0.000 2.351 50 E HA 0.293 4.643 4.350 -0.000 0.000 0.255 50 E C -0.337 176.307 176.600 0.075 0.000 1.188 50 E CA -0.972 55.470 56.400 0.070 0.000 0.940 50 E CB 0.648 30.394 29.700 0.076 0.000 1.094 50 E HN 0.238 nan 8.360 nan 0.000 0.474 51 R N 0.982 121.525 120.500 0.072 0.000 2.570 51 R HA 0.089 4.429 4.340 -0.000 0.000 0.277 51 R C 0.690 177.033 176.300 0.072 0.000 1.039 51 R CA -0.394 55.748 56.100 0.071 0.000 1.065 51 R CB 0.497 30.846 30.300 0.082 0.000 0.964 51 R HN 0.379 nan 8.270 nan 0.000 0.428 55 A N 0.488 123.392 122.820 0.139 0.000 2.072 55 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 55 A C 1.288 178.957 177.584 0.143 0.000 1.156 55 A CA 0.773 52.886 52.037 0.126 0.000 0.701 55 A CB 0.276 19.334 19.000 0.097 0.000 0.816 55 A HN 0.069 nan 8.150 nan 0.000 0.458 56 K N 0.321 120.811 120.400 0.151 0.000 2.211 56 K HA 0.572 4.892 4.320 -0.000 0.000 0.275 56 K C -0.063 176.663 176.600 0.210 0.000 1.024 56 K CA 0.497 56.888 56.287 0.174 0.000 0.887 56 K CB 0.927 33.521 32.500 0.156 0.000 1.084 56 K HN 0.293 nan 8.250 nan 0.000 0.463 57 G N 0.706 109.648 108.800 0.236 0.000 2.550 57 G HA2 0.570 4.529 3.960 -0.000 0.000 0.293 57 G HA3 0.570 4.529 3.960 -0.000 0.000 0.293 57 G C -1.452 173.604 174.900 0.259 0.000 1.402 57 G CA -0.667 44.542 45.100 0.181 0.000 0.784 57 G HN 0.543 nan 8.290 nan 0.000 0.482 58 S N -2.099 113.683 115.700 0.137 0.000 2.651 58 S HA 0.950 5.419 4.470 -0.000 0.000 0.279 58 S C -0.118 174.489 174.600 0.012 0.000 1.148 58 S CA -0.064 58.284 58.200 0.247 0.000 0.837 58 S CB 2.034 65.465 63.200 0.385 0.000 1.138 58 S HN 1.697 nan 8.310 nan 0.000 0.478 59 G N -0.375 108.431 108.800 0.011 0.000 2.649 59 G HA2 0.876 4.836 3.960 -0.000 0.000 0.290 59 G HA3 0.876 4.836 3.960 -0.000 0.000 0.290 59 G C -1.716 173.041 174.900 -0.238 0.000 1.426 59 G CA -0.083 44.802 45.100 -0.358 0.000 0.794 59 G HN 1.175 nan 8.290 nan 0.000 0.483 60 A N -1.043 121.409 122.820 -0.614 0.000 2.567 60 A HA 0.729 5.049 4.320 -0.000 0.000 0.291 60 A C -2.014 175.259 177.584 -0.518 0.000 1.048 60 A CA -0.763 51.106 52.037 -0.280 0.000 0.661 60 A CB 0.576 19.533 19.000 -0.071 0.000 1.288 60 A HN 0.858 nan 8.150 nan 0.000 0.424 61 F N 0.307 120.262 119.950 0.009 0.000 2.422 61 F HA 0.713 5.240 4.527 -0.000 0.000 0.333 61 F C 1.099 176.877 175.800 -0.036 0.000 1.095 61 F CA 0.886 58.915 58.000 0.049 0.000 1.038 61 F CB 2.393 41.451 39.000 0.096 0.000 1.156 61 F HN 0.956 nan 8.300 nan 0.000 0.483 62 G N 0.201 109.080 108.800 0.132 0.000 2.782 62 G HA2 0.658 4.618 3.960 -0.000 0.000 0.304 62 G HA3 0.658 4.618 3.960 -0.000 0.000 0.304 62 G C -1.731 173.250 174.900 0.136 0.000 1.315 62 G CA -0.827 44.338 45.100 0.109 0.000 0.791 62 G HN 0.475 nan 8.290 nan 0.000 0.519 63 T N 0.154 114.817 114.554 0.182 0.000 2.928 63 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 63 T C -1.563 173.290 174.700 0.255 0.000 1.000 63 T CA -0.259 61.957 62.100 0.194 0.000 0.989 63 T CB 1.831 70.775 68.868 0.127 0.000 1.005 63 T HN 0.448 nan 8.240 nan 0.000 0.442 64 F N 2.752 122.798 119.950 0.159 0.000 2.404 64 F HA 0.616 5.143 4.527 -0.000 0.000 0.339 64 F C -0.078 175.743 175.800 0.034 0.000 1.105 64 F CA -0.282 57.831 58.000 0.189 0.000 1.087 64 F CB 1.190 40.400 39.000 0.349 0.000 1.143 64 F HN 0.491 nan 8.300 nan 0.000 0.491 65 T N 5.495 119.490 114.554 -0.931 0.000 2.881 65 T HA 0.379 4.729 4.350 -0.000 0.000 0.291 65 T C -0.804 173.532 174.700 -0.607 0.000 0.990 65 T CA -0.602 61.137 62.100 -0.600 0.000 0.976 65 T CB 1.272 69.808 68.868 -0.554 0.000 0.970 65 T HN 0.349 nan 8.240 nan 0.000 0.438 66 V N 3.955 123.758 119.914 -0.185 0.000 2.572 66 V HA 0.265 4.385 4.120 -0.000 0.000 0.291 66 V C 1.524 177.674 176.094 0.093 0.000 1.039 66 V CA 0.340 62.672 62.300 0.053 0.000 1.055 66 V CB 1.050 33.014 31.823 0.234 0.000 0.969 66 V HN 1.172 nan 8.190 nan 0.000 0.482 67 T N 0.108 114.774 114.554 0.186 0.000 3.043 67 T HA 0.322 4.672 4.350 -0.000 0.000 0.272 67 T C 0.135 174.879 174.700 0.073 0.000 0.990 67 T CA -0.038 62.168 62.100 0.177 0.000 0.897 67 T CB -0.007 69.039 68.868 0.297 0.000 1.111 67 T HN 0.671 nan 8.240 nan 0.000 0.529 68 H N 0.485 119.608 119.070 0.087 0.000 3.012 68 H HA 0.597 5.152 4.556 -0.000 0.000 0.367 68 H C -1.734 173.628 175.328 0.058 0.000 1.211 68 H CA -1.067 55.020 56.048 0.065 0.000 1.139 68 H CB 1.580 31.378 29.762 0.060 0.000 1.838 68 H HN 0.132 nan 8.280 nan 0.000 0.550 69 D N 1.932 122.412 120.400 0.135 0.000 2.380 69 D HA 0.173 4.812 4.640 -0.000 0.000 0.230 69 D C 0.669 177.007 176.300 0.063 0.000 1.154 69 D CA -0.301 53.746 54.000 0.078 0.000 0.859 69 D CB 0.361 41.183 40.800 0.037 0.000 1.045 69 D HN 0.577 nan 8.370 nan 0.000 0.495 70 I N 0.479 121.073 120.570 0.040 0.000 3.891 70 I HA 0.164 4.334 4.170 -0.000 0.000 0.331 70 I C 1.161 177.254 176.117 -0.041 0.000 1.406 70 I CA -0.495 60.830 61.300 0.042 0.000 1.139 70 I CB 0.188 38.209 38.000 0.036 0.000 1.056 70 I HN 0.134 nan 8.210 nan 0.000 0.399 71 T N 1.389 115.911 114.554 -0.054 0.000 2.792 71 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 71 T C 1.803 176.413 174.700 -0.150 0.000 1.059 71 T CA 1.998 64.053 62.100 -0.075 0.000 1.136 71 T CB -0.257 68.588 68.868 -0.038 0.000 0.846 71 T HN 0.514 nan 8.240 nan 0.000 0.489 72 K N -0.268 119.965 120.400 -0.277 0.000 2.152 72 K HA -0.149 4.170 4.320 -0.000 0.000 0.206 72 K C 1.537 177.811 176.600 -0.543 0.000 1.048 72 K CA 1.455 57.473 56.287 -0.449 0.000 0.933 72 K CB -0.111 31.963 32.500 -0.710 0.000 0.721 72 K HN 0.454 nan 8.250 nan 0.000 0.447 73 Y N -0.595 119.545 120.300 -0.266 0.000 2.479 73 Y HA 0.140 4.690 4.550 -0.000 0.000 0.283 73 Y C 0.987 176.798 175.900 -0.147 0.000 1.109 73 Y CA 0.366 58.183 58.100 -0.471 0.000 1.239 73 Y CB 0.647 38.814 38.460 -0.489 0.000 1.108 73 Y HN -0.121 nan 8.280 nan 0.000 0.548 74 T N 0.382 114.876 114.554 -0.101 0.000 2.916 74 T HA 0.333 4.683 4.350 -0.000 0.000 0.298 74 T C 0.361 174.983 174.700 -0.131 0.000 1.031 74 T CA -0.875 61.088 62.100 -0.228 0.000 0.993 74 T CB 1.117 69.469 68.868 -0.861 0.000 1.045 74 T HN 0.361 nan 8.240 nan 0.000 0.454 75 R N 2.634 123.094 120.500 -0.068 0.000 2.310 75 R HA 0.530 4.870 4.340 -0.000 0.000 0.202 75 R C 0.840 177.122 176.300 -0.030 0.000 0.933 75 R CA -0.231 55.852 56.100 -0.029 0.000 1.054 75 R CB -0.155 30.148 30.300 0.006 0.000 0.985 75 R HN 0.487 nan 8.270 nan 0.000 0.489 76 A N 2.328 125.097 122.820 -0.085 0.000 2.566 76 A HA 0.023 4.343 4.320 -0.000 0.000 0.245 76 A C 0.761 178.288 177.584 -0.094 0.000 1.056 76 A CA -0.171 51.785 52.037 -0.135 0.000 0.757 76 A CB 0.400 19.235 19.000 -0.276 0.000 0.979 76 A HN 0.208 nan 8.150 nan 0.000 0.508 77 K N 2.477 122.823 120.400 -0.090 0.000 2.152 77 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 77 K C 1.691 178.250 176.600 -0.068 0.000 1.048 77 K CA 1.558 57.818 56.287 -0.044 0.000 0.933 77 K CB -0.389 32.099 32.500 -0.019 0.000 0.721 77 K HN 0.889 nan 8.250 nan 0.000 0.447 78 I N 0.101 120.541 120.570 -0.216 0.000 2.335 78 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 78 I C 0.992 177.046 176.117 -0.106 0.000 1.129 78 I CA 1.448 62.590 61.300 -0.263 0.000 1.402 78 I CB 0.075 37.719 38.000 -0.592 0.000 1.069 78 I HN -0.053 nan 8.210 nan 0.000 0.424 79 F N 0.427 120.378 119.950 0.001 0.000 2.721 79 F HA 0.108 4.634 4.527 -0.000 0.000 0.301 79 F C 2.619 178.432 175.800 0.021 0.000 1.096 79 F CA 0.495 58.519 58.000 0.040 0.000 1.308 79 F CB -0.818 38.154 39.000 -0.048 0.000 1.086 79 F HN 0.101 nan 8.300 nan 0.000 0.587 80 S N 0.467 116.262 115.700 0.160 0.000 2.440 80 S HA -0.178 4.292 4.470 -0.000 0.000 0.240 80 S C 0.443 175.096 174.600 0.089 0.000 1.014 80 S CA 1.018 59.275 58.200 0.095 0.000 0.980 80 S CB -0.837 62.397 63.200 0.056 0.000 0.775 80 S HN 0.623 nan 8.310 nan 0.000 0.499 81 E N -0.194 120.071 120.200 0.108 0.000 2.354 81 E HA 0.470 4.820 4.350 -0.000 0.000 0.283 81 E C -1.338 175.319 176.600 0.095 0.000 0.938 81 E CA -1.113 55.338 56.400 0.084 0.000 0.777 81 E CB 1.500 31.235 29.700 0.059 0.000 1.222 81 E HN -0.052 nan 8.360 nan 0.000 0.423 82 V N 2.449 122.409 119.914 0.076 0.000 2.644 82 V HA 0.187 4.307 4.120 -0.000 0.000 0.305 82 V C 1.596 177.726 176.094 0.061 0.000 1.053 82 V CA 1.975 64.315 62.300 0.066 0.000 1.186 82 V CB 0.164 32.003 31.823 0.027 0.000 0.895 82 V HN 1.145 nan 8.190 nan 0.000 0.490 83 G N 3.396 112.236 108.800 0.067 0.000 2.241 83 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.244 83 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.244 83 G C 0.414 175.353 174.900 0.066 0.000 0.998 83 G CA 0.374 45.512 45.100 0.063 0.000 0.621 83 G HN 0.781 nan 8.290 nan 0.000 0.519 84 K N 1.314 121.763 120.400 0.082 0.000 2.401 84 K HA 0.357 4.677 4.320 -0.000 0.000 0.278 84 K C 0.002 176.662 176.600 0.100 0.000 1.018 84 K CA 0.065 56.407 56.287 0.092 0.000 0.981 84 K CB 0.242 32.808 32.500 0.110 0.000 0.933 84 K HN 0.033 nan 8.250 nan 0.000 0.477 85 K N 3.305 123.765 120.400 0.098 0.000 2.293 85 K HA 0.208 4.528 4.320 -0.000 0.000 0.267 85 K C -0.889 175.805 176.600 0.156 0.000 1.010 85 K CA -0.500 55.855 56.287 0.112 0.000 0.875 85 K CB 1.887 34.439 32.500 0.085 0.000 1.106 85 K HN 0.567 nan 8.250 nan 0.000 0.450 86 T N 2.631 117.330 114.554 0.242 0.000 2.797 86 T HA 0.206 4.556 4.350 -0.000 0.000 0.279 86 T C -0.278 174.592 174.700 0.284 0.000 0.991 86 T CA -0.779 61.472 62.100 0.252 0.000 0.979 86 T CB 1.244 70.268 68.868 0.261 0.000 0.943 86 T HN 0.358 nan 8.240 nan 0.000 0.444 87 E N 3.728 124.076 120.200 0.247 0.000 2.313 87 E HA 0.527 4.877 4.350 -0.000 0.000 0.276 87 E C -0.062 176.732 176.600 0.322 0.000 1.031 87 E CA -0.681 55.878 56.400 0.264 0.000 0.857 87 E CB 0.889 30.734 29.700 0.241 0.000 1.040 87 E HN 0.377 nan 8.360 nan 0.000 0.408 88 M N 2.608 122.336 119.600 0.213 0.000 2.644 88 M HA 0.459 4.939 4.480 -0.000 0.000 0.273 88 M C -2.297 173.995 176.300 -0.014 0.000 1.253 88 M CA -0.914 54.334 55.300 -0.087 0.000 0.852 88 M CB 1.874 34.184 32.600 -0.483 0.000 1.708 88 M HN 0.578 nan 8.290 nan 0.000 0.471 89 F N 1.714 121.391 119.950 -0.456 0.000 2.522 89 F HA 0.877 5.404 4.527 -0.000 0.000 0.324 89 F C -1.269 174.080 175.800 -0.752 0.000 1.077 89 F CA -0.235 57.401 58.000 -0.606 0.000 0.944 89 F CB 1.836 40.462 39.000 -0.624 0.000 1.175 89 F HN 0.866 nan 8.300 nan 0.000 0.468 90 A N 5.973 127.846 122.820 -1.578 0.000 2.356 90 A HA 0.747 5.067 4.320 -0.000 0.000 0.310 90 A C -1.226 175.288 177.584 -1.782 0.000 1.075 90 A CA -0.830 50.249 52.037 -1.596 0.000 0.746 90 A CB 1.275 19.307 19.000 -1.615 0.000 1.221 90 A HN 0.855 nan 8.150 nan 0.000 0.443 91 R N 2.284 121.925 120.500 -1.432 0.000 2.439 91 R HA 0.628 4.968 4.340 -0.000 0.000 0.310 91 R C -1.863 173.803 176.300 -1.056 0.000 0.955 91 R CA -0.361 55.097 56.100 -1.069 0.000 0.853 91 R CB 0.767 30.771 30.300 -0.494 0.000 1.171 91 R HN 0.581 nan 8.270 nan 0.000 0.449 92 F N 1.641 121.142 119.950 -0.748 0.000 2.458 92 F HA 0.516 5.043 4.527 -0.000 0.000 0.330 92 F C 0.544 175.847 175.800 -0.827 0.000 1.082 92 F CA -0.307 57.162 58.000 -0.886 0.000 0.995 92 F CB 2.160 40.431 39.000 -1.214 0.000 1.170 92 F HN 0.559 nan 8.300 nan 0.000 0.478 93 S N -0.911 114.600 115.700 -0.315 0.000 2.776 93 S HA 0.797 5.266 4.470 -0.000 0.000 0.292 93 S C -0.390 174.394 174.600 0.306 0.000 1.187 93 S CA -0.372 57.846 58.200 0.030 0.000 0.834 93 S CB 1.678 64.961 63.200 0.138 0.000 1.199 93 S HN 0.729 nan 8.310 nan 0.000 0.514 94 T N -2.087 112.654 114.554 0.312 0.000 2.861 94 T HA 0.726 5.076 4.350 -0.000 0.000 0.265 94 T C 0.636 175.388 174.700 0.086 0.000 1.104 94 T CA 0.138 62.389 62.100 0.252 0.000 0.987 94 T CB 0.206 69.200 68.868 0.210 0.000 2.051 94 T HN 0.672 nan 8.240 nan 0.000 0.570 95 V N -0.436 119.462 119.914 -0.027 0.000 3.279 95 V HA 0.413 4.533 4.120 -0.000 0.000 0.213 95 V C 2.790 178.817 176.094 -0.111 0.000 1.335 95 V CA 0.508 62.654 62.300 -0.258 0.000 1.317 95 V CB -0.732 30.987 31.823 -0.173 0.000 1.209 95 V HN 0.960 nan 8.190 nan 0.000 0.525 96 A N 0.791 123.596 122.820 -0.024 0.000 1.898 96 A HA 0.287 4.607 4.320 -0.000 0.000 0.214 96 A C 1.593 179.183 177.584 0.011 0.000 1.183 96 A CA 1.275 53.306 52.037 -0.008 0.000 0.622 96 A CB -1.046 17.960 19.000 0.010 0.000 0.824 96 A HN 0.625 nan 8.150 nan 0.000 0.444 97 G N 0.091 108.912 108.800 0.034 0.000 2.491 97 G HA2 0.417 4.377 3.960 -0.000 0.000 0.242 97 G HA3 0.417 4.377 3.960 -0.000 0.000 0.242 97 G C -0.270 174.661 174.900 0.051 0.000 1.266 97 G CA -0.236 44.891 45.100 0.045 0.000 0.844 97 G HN 0.441 nan 8.290 nan 0.000 0.571 98 E N -0.078 120.150 120.200 0.047 0.000 2.359 98 E HA 0.293 4.643 4.350 -0.000 0.000 0.255 98 E C 1.688 178.327 176.600 0.066 0.000 1.191 98 E CA -0.695 55.736 56.400 0.052 0.000 0.952 98 E CB 0.678 30.402 29.700 0.040 0.000 1.152 98 E HN 0.484 nan 8.360 nan 0.000 0.496 99 R N -0.100 120.443 120.500 0.071 0.000 2.204 99 R HA -0.172 4.168 4.340 -0.000 0.000 0.253 99 R C 0.920 177.260 176.300 0.067 0.000 1.172 99 R CA 1.709 57.859 56.100 0.082 0.000 0.994 99 R CB -0.301 30.048 30.300 0.082 0.000 0.874 99 R HN 0.587 nan 8.270 nan 0.000 0.462 100 G N -1.772 107.058 108.800 0.050 0.000 3.839 100 G HA2 0.417 4.377 3.960 -0.000 0.000 0.286 100 G HA3 0.417 4.377 3.960 -0.000 0.000 0.286 100 G C -0.240 174.682 174.900 0.037 0.000 1.005 100 G CA 0.157 45.279 45.100 0.037 0.000 0.824 100 G HN 0.352 nan 8.290 nan 0.000 0.489 101 A N 0.422 123.270 122.820 0.047 0.000 2.310 101 A HA 0.764 5.084 4.320 -0.000 0.000 0.260 101 A C 0.980 178.593 177.584 0.049 0.000 1.112 101 A CA 0.344 52.409 52.037 0.046 0.000 0.804 101 A CB 0.171 19.201 19.000 0.052 0.000 1.081 101 A HN 1.110 nan 8.150 nan 0.000 0.499 102 A N -0.422 122.425 122.820 0.045 0.000 2.425 102 A HA 0.377 4.697 4.320 -0.000 0.000 0.249 102 A C 0.554 178.171 177.584 0.054 0.000 1.084 102 A CA 0.072 52.135 52.037 0.043 0.000 0.781 102 A CB -0.038 18.984 19.000 0.036 0.000 1.019 102 A HN 0.780 nan 8.150 nan 0.000 0.490 103 D N 1.636 122.063 120.400 0.044 0.000 2.123 103 D HA 0.035 4.675 4.640 -0.000 0.000 0.200 103 D C 1.227 177.535 176.300 0.013 0.000 0.976 103 D CA 1.850 55.873 54.000 0.039 0.000 0.831 103 D CB -0.027 40.780 40.800 0.011 0.000 0.974 103 D HN 0.628 nan 8.370 nan 0.000 0.469 104 A N 1.239 124.065 122.820 0.009 0.000 3.078 104 A HA 0.235 4.555 4.320 -0.000 0.000 0.279 104 A C -0.021 177.582 177.584 0.033 0.000 1.594 104 A CA -0.132 51.910 52.037 0.009 0.000 1.301 104 A CB -0.288 18.715 19.000 0.005 0.000 1.162 104 A HN -0.000 nan 8.150 nan 0.000 0.585 105 E N 0.249 120.478 120.200 0.050 0.000 2.263 105 E HA 0.324 4.674 4.350 -0.000 0.000 0.264 105 E C -0.376 176.271 176.600 0.079 0.000 0.923 105 E CA -1.052 55.386 56.400 0.064 0.000 0.802 105 E CB 1.896 31.638 29.700 0.070 0.000 1.228 105 E HN 0.539 nan 8.360 nan 0.000 0.417 106 R N 2.025 122.576 120.500 0.085 0.000 2.288 106 R HA 0.083 4.423 4.340 -0.000 0.000 0.330 106 R C -1.065 175.306 176.300 0.119 0.000 1.069 106 R CA 0.550 56.710 56.100 0.101 0.000 0.941 106 R CB 0.118 30.480 30.300 0.104 0.000 0.998 106 R HN 0.404 nan 8.270 nan 0.000 0.452 107 D N 3.148 123.628 120.400 0.132 0.000 2.742 107 D HA 0.178 4.817 4.640 -0.000 0.000 0.262 107 D C -0.368 176.036 176.300 0.174 0.000 1.240 107 D CA -0.602 53.489 54.000 0.152 0.000 0.752 107 D CB 1.087 41.967 40.800 0.133 0.000 1.290 107 D HN 0.344 nan 8.370 nan 0.000 0.420 108 I N 1.205 121.896 120.570 0.201 0.000 3.112 108 I HA 0.151 4.321 4.170 -0.000 0.000 0.284 108 I C 0.741 177.012 176.117 0.258 0.000 1.227 108 I CA -0.064 61.371 61.300 0.227 0.000 1.369 108 I CB 0.313 38.480 38.000 0.278 0.000 1.376 108 I HN 0.100 nan 8.210 nan 0.000 0.608 109 R N 2.258 122.939 120.500 0.303 0.000 2.740 109 R HA 0.520 4.860 4.340 -0.000 0.000 0.282 109 R C -0.338 176.181 176.300 0.365 0.000 0.969 109 R CA -0.903 55.412 56.100 0.359 0.000 0.918 109 R CB 1.436 31.979 30.300 0.405 0.000 1.175 109 R HN 0.781 nan 8.270 nan 0.000 0.464 110 G N 0.454 109.453 108.800 0.332 0.000 2.400 110 G HA2 0.530 4.490 3.960 -0.000 0.000 0.301 110 G HA3 0.530 4.490 3.960 -0.000 0.000 0.301 110 G C -1.258 173.701 174.900 0.100 0.000 1.154 110 G CA -0.222 44.979 45.100 0.168 0.000 0.852 110 G HN 0.389 nan 8.290 nan 0.000 0.511 111 F N 1.968 121.797 119.950 -0.202 0.000 2.959 111 F HA 0.583 5.109 4.527 -0.000 0.000 0.379 111 F C 0.114 175.550 175.800 -0.606 0.000 1.215 111 F CA -0.816 57.011 58.000 -0.290 0.000 1.190 111 F CB 1.038 39.947 39.000 -0.152 0.000 1.574 111 F HN 0.659 nan 8.300 nan 0.000 0.575 112 A N 4.957 127.225 122.820 -0.919 0.000 2.318 112 A HA 0.820 5.140 4.320 -0.000 0.000 0.324 112 A C -1.788 175.006 177.584 -1.316 0.000 1.170 112 A CA -0.484 50.864 52.037 -1.148 0.000 0.810 112 A CB 0.877 18.840 19.000 -1.727 0.000 1.198 112 A HN 0.446 nan 8.150 nan 0.000 0.484 113 L N 1.753 122.343 121.223 -1.054 0.000 2.365 113 L HA 0.590 4.930 4.340 -0.000 0.000 0.273 113 L C 0.105 176.451 176.870 -0.873 0.000 1.000 113 L CA -0.387 53.773 54.840 -1.133 0.000 0.819 113 L CB 1.718 42.945 42.059 -1.387 0.000 1.284 113 L HN 0.793 nan 8.230 nan 0.000 0.418 114 K N 2.956 122.826 120.400 -0.883 0.000 2.502 114 K HA 0.546 4.866 4.320 -0.000 0.000 0.254 114 K C -1.680 174.278 176.600 -1.071 0.000 0.947 114 K CA -0.351 55.471 56.287 -0.774 0.000 0.834 114 K CB 0.830 32.923 32.500 -0.678 0.000 1.112 114 K HN 0.276 nan 8.250 nan 0.000 0.427 115 F N 3.757 123.335 119.950 -0.620 0.000 2.404 115 F HA 0.298 4.825 4.527 -0.000 0.000 0.354 115 F C -0.428 175.168 175.800 -0.341 0.000 1.122 115 F CA -0.674 57.062 58.000 -0.440 0.000 1.080 115 F CB 0.836 39.669 39.000 -0.278 0.000 1.131 115 F HN 0.413 nan 8.300 nan 0.000 0.471 116 Y N 1.868 122.199 120.300 0.051 0.000 2.636 116 Y HA 0.260 4.810 4.550 -0.000 0.000 0.341 116 Y C 0.937 176.858 175.900 0.035 0.000 1.169 116 Y CA -0.906 57.199 58.100 0.009 0.000 1.498 116 Y CB -0.260 38.189 38.460 -0.019 0.000 1.362 116 Y HN 0.547 nan 8.280 nan 0.000 0.494 117 T N -2.447 112.187 114.554 0.132 0.000 2.936 117 T HA 0.284 4.634 4.350 -0.000 0.000 0.282 117 T C 0.904 175.635 174.700 0.051 0.000 1.003 117 T CA -0.777 61.367 62.100 0.074 0.000 1.005 117 T CB 1.257 70.126 68.868 0.002 0.000 1.097 117 T HN 0.478 nan 8.240 nan 0.000 0.532 118 E N -0.195 120.023 120.200 0.031 0.000 2.418 118 E HA 0.011 4.361 4.350 -0.000 0.000 0.197 118 E C 1.167 177.772 176.600 0.009 0.000 1.026 118 E CA 0.748 57.164 56.400 0.027 0.000 0.862 118 E CB 0.053 29.771 29.700 0.030 0.000 0.799 118 E HN 0.755 nan 8.360 nan 0.000 0.518 119 E N -0.203 119.985 120.200 -0.020 0.000 2.624 119 E HA 0.302 4.652 4.350 -0.000 0.000 0.210 119 E C -0.009 176.546 176.600 -0.076 0.000 0.997 119 E CA -0.163 56.196 56.400 -0.068 0.000 0.999 119 E CB 1.098 30.737 29.700 -0.103 0.000 1.040 119 E HN 0.199 nan 8.360 nan 0.000 0.469 120 G N 0.985 109.770 108.800 -0.026 0.000 2.347 120 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.477 120 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.477 120 G C -1.458 173.451 174.900 0.016 0.000 1.349 120 G CA -1.077 44.015 45.100 -0.013 0.000 1.000 120 G HN 0.096 nan 8.290 nan 0.000 0.605 121 N N -0.172 118.534 118.700 0.010 0.000 2.426 121 N HA 0.437 5.177 4.740 -0.000 0.000 0.275 121 N C -1.109 174.441 175.510 0.066 0.000 1.019 121 N CA -0.399 52.649 53.050 -0.003 0.000 0.941 121 N CB 1.552 39.992 38.487 -0.079 0.000 1.123 121 N HN 0.543 nan 8.380 nan 0.000 0.486 122 W N 4.062 125.294 121.300 -0.114 0.000 2.376 122 W HA 0.345 5.005 4.660 -0.000 0.000 0.312 122 W C -1.220 175.256 176.519 -0.071 0.000 1.060 122 W CA -0.829 56.462 57.345 -0.090 0.000 1.221 122 W CB 0.542 29.925 29.460 -0.128 0.000 1.281 122 W HN 0.380 nan 8.180 nan 0.000 0.456 123 D N 6.506 126.737 120.400 -0.282 0.000 2.278 123 D HA 0.231 4.871 4.640 -0.000 0.000 0.245 123 D C -0.486 175.412 176.300 -0.671 0.000 1.052 123 D CA -0.409 53.335 54.000 -0.428 0.000 0.834 123 D CB 1.926 42.649 40.800 -0.128 0.000 1.194 123 D HN 0.264 nan 8.370 nan 0.000 0.481 124 M N 3.399 122.511 119.600 -0.813 0.000 2.027 124 M HA 0.213 4.693 4.480 -0.000 0.000 0.329 124 M C -1.605 174.398 176.300 -0.496 0.000 0.971 124 M CA -0.849 54.011 55.300 -0.733 0.000 0.933 124 M CB 0.803 32.810 32.600 -0.987 0.000 1.392 124 M HN -0.011 nan 8.290 nan 0.000 0.394 125 V N 5.625 125.341 119.914 -0.330 0.000 2.322 125 V HA 0.621 4.741 4.120 -0.000 0.000 0.258 125 V C 0.805 176.797 176.094 -0.170 0.000 1.074 125 V CA -0.216 61.885 62.300 -0.332 0.000 0.909 125 V CB 0.145 31.768 31.823 -0.333 0.000 1.090 125 V HN 0.924 nan 8.190 nan 0.000 0.486 126 G N 3.813 112.531 108.800 -0.137 0.000 3.251 126 G HA2 0.610 4.570 3.960 -0.000 0.000 0.248 126 G HA3 0.610 4.570 3.960 -0.000 0.000 0.248 126 G C -0.938 174.001 174.900 0.065 0.000 1.320 126 G CA -0.586 44.532 45.100 0.030 0.000 0.982 126 G HN 0.468 nan 8.290 nan 0.000 0.575 127 N N -0.663 118.131 118.700 0.157 0.000 2.761 127 N HA 0.220 4.960 4.740 -0.000 0.000 0.283 127 N C -0.116 175.567 175.510 0.289 0.000 1.377 127 N CA -0.679 52.508 53.050 0.229 0.000 0.791 127 N CB 1.428 40.049 38.487 0.224 0.000 1.540 127 N HN 0.537 nan 8.380 nan 0.000 0.539 128 N N -0.747 118.148 118.700 0.324 0.000 2.416 128 N HA -0.002 4.738 4.740 -0.000 0.000 0.215 128 N C -0.558 175.212 175.510 0.433 0.000 1.208 128 N CA 0.074 53.349 53.050 0.375 0.000 0.834 128 N CB -0.075 38.614 38.487 0.338 0.000 1.072 128 N HN 0.399 nan 8.380 nan 0.000 0.472 129 T N -0.258 114.482 114.554 0.310 0.000 2.982 129 T HA 0.322 4.672 4.350 -0.000 0.000 0.321 129 T C -2.630 171.847 174.700 -0.372 0.000 1.229 129 T CA -1.350 60.687 62.100 -0.104 0.000 1.044 129 T CB 2.238 71.077 68.868 -0.047 0.000 1.184 129 T HN -0.147 nan 8.240 nan 0.000 0.477 130 P HA 0.227 nan 4.420 nan 0.000 0.241 130 P C 0.275 177.346 177.300 -0.380 0.000 1.191 130 P CA 0.121 62.798 63.100 -0.706 0.000 0.771 130 P CB 0.492 31.671 31.700 -0.867 0.000 0.929 131 V N -0.895 118.817 119.914 -0.335 0.000 3.156 131 V HA 0.573 4.693 4.120 -0.000 0.000 0.310 131 V C -0.937 175.092 176.094 -0.108 0.000 1.234 131 V CA -0.711 61.424 62.300 -0.275 0.000 1.065 131 V CB 2.690 34.201 31.823 -0.519 0.000 1.088 131 V HN -0.131 nan 8.190 nan 0.000 0.451 132 F N -0.568 119.227 119.950 -0.258 0.000 2.824 132 F HA 0.514 5.041 4.527 -0.000 0.000 0.330 132 F C 0.081 175.772 175.800 -0.181 0.000 1.175 132 F CA -0.769 57.099 58.000 -0.221 0.000 0.974 132 F CB 1.368 40.343 39.000 -0.043 0.000 1.430 132 F HN 0.500 nan 8.300 nan 0.000 0.507 133 Y N 1.153 121.035 120.300 -0.698 0.000 2.519 133 Y HA 0.276 4.826 4.550 -0.000 0.000 0.287 133 Y C 0.255 176.083 175.900 -0.120 0.000 1.128 133 Y CA 0.462 58.322 58.100 -0.400 0.000 1.282 133 Y CB -0.190 38.014 38.460 -0.427 0.000 1.027 133 Y HN -0.009 nan 8.280 nan 0.000 0.551 134 L N -0.952 120.392 121.223 0.201 0.000 2.301 134 L HA 0.508 4.847 4.340 -0.000 0.000 0.264 134 L C 0.738 177.703 176.870 0.159 0.000 1.016 134 L CA -0.900 54.078 54.840 0.230 0.000 0.821 134 L CB 2.186 44.473 42.059 0.380 0.000 1.346 134 L HN -0.233 nan 8.230 nan 0.000 0.429 135 R N -0.686 119.820 120.500 0.010 0.000 2.316 135 R HA 0.164 4.503 4.340 -0.000 0.000 0.201 135 R C -0.432 175.810 176.300 -0.095 0.000 0.888 135 R CA 0.222 56.253 56.100 -0.114 0.000 1.041 135 R CB 0.632 30.659 30.300 -0.455 0.000 1.115 135 R HN 0.586 nan 8.270 nan 0.000 0.559 136 D N -0.694 119.688 120.400 -0.031 0.000 2.896 136 D HA 0.142 4.782 4.640 -0.000 0.000 0.241 136 D C -2.059 174.322 176.300 0.135 0.000 1.188 136 D CA -2.032 51.993 54.000 0.041 0.000 0.879 136 D CB 2.386 43.208 40.800 0.035 0.000 1.553 136 D HN -0.159 nan 8.370 nan 0.000 0.515 137 P HA -0.081 nan 4.420 nan 0.000 0.221 137 P C 1.767 179.181 177.300 0.190 0.000 1.145 137 P CA 0.445 63.644 63.100 0.165 0.000 0.795 137 P CB 0.605 32.363 31.700 0.097 0.000 0.775 138 L N -0.606 120.707 121.223 0.150 0.000 2.265 138 L HA -0.103 4.237 4.340 -0.000 0.000 0.215 138 L C 2.240 179.194 176.870 0.141 0.000 1.117 138 L CA 1.237 56.155 54.840 0.129 0.000 0.782 138 L CB -0.618 41.504 42.059 0.105 0.000 0.914 138 L HN -0.125 nan 8.230 nan 0.000 0.441 139 K N -0.883 119.633 120.400 0.193 0.000 2.487 139 K HA -0.005 4.315 4.320 -0.000 0.000 0.192 139 K C 1.641 178.371 176.600 0.218 0.000 1.027 139 K CA 0.409 56.832 56.287 0.227 0.000 1.054 139 K CB -0.159 32.519 32.500 0.297 0.000 0.824 139 K HN 0.152 nan 8.250 nan 0.000 0.510 140 F N 2.532 122.537 119.950 0.090 0.000 2.113 140 F HA -0.053 4.474 4.527 -0.000 0.000 0.297 140 F C -0.938 174.811 175.800 -0.085 0.000 1.103 140 F CA 0.754 58.799 58.000 0.075 0.000 1.248 140 F CB -0.842 38.222 39.000 0.106 0.000 0.999 140 F HN 0.031 nan 8.300 nan 0.000 0.475 141 P HA -0.180 nan 4.420 nan 0.000 0.216 141 P C 1.124 177.923 177.300 -0.836 0.000 1.153 141 P CA 2.118 64.987 63.100 -0.384 0.000 0.858 141 P CB -0.135 31.406 31.700 -0.266 0.000 0.789 142 D N -0.656 119.367 120.400 -0.628 0.000 2.117 142 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 142 D C 1.987 177.680 176.300 -1.012 0.000 0.982 142 D CA 0.896 54.439 54.000 -0.761 0.000 0.828 142 D CB -0.569 39.963 40.800 -0.446 0.000 0.967 142 D HN 0.104 nan 8.370 nan 0.000 0.464 143 L N 2.027 122.736 121.223 -0.858 0.000 2.079 143 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 143 L C 1.807 178.259 176.870 -0.697 0.000 1.081 143 L CA 1.593 55.916 54.840 -0.863 0.000 0.752 143 L CB -0.768 40.987 42.059 -0.507 0.000 0.896 143 L HN -0.049 nan 8.230 nan 0.000 0.433 144 N N -0.594 117.728 118.700 -0.630 0.000 2.120 144 N HA -0.276 4.464 4.740 -0.000 0.000 0.188 144 N C 1.862 177.242 175.510 -0.217 0.000 1.024 144 N CA 2.002 54.810 53.050 -0.403 0.000 0.852 144 N CB -0.399 37.894 38.487 -0.324 0.000 1.003 144 N HN 0.701 nan 8.380 nan 0.000 0.424 145 H N -0.405 118.433 119.070 -0.386 0.000 2.489 145 H HA -0.067 4.489 4.556 -0.000 0.000 0.293 145 H C 1.680 176.810 175.328 -0.329 0.000 1.066 145 H CA 1.341 57.195 56.048 -0.322 0.000 1.305 145 H CB 0.259 29.820 29.762 -0.335 0.000 1.386 145 H HN 0.438 nan 8.280 nan 0.000 0.551 146 I N -3.543 116.826 120.570 -0.335 0.000 3.790 146 I HA 0.037 4.206 4.170 -0.000 0.000 0.305 146 I C 1.854 177.829 176.117 -0.236 0.000 1.253 146 I CA 0.192 61.312 61.300 -0.300 0.000 1.355 146 I CB -0.150 37.552 38.000 -0.496 0.000 1.137 146 I HN -0.140 nan 8.210 nan 0.000 0.435 147 V N 1.110 120.853 119.914 -0.284 0.000 2.548 147 V HA -0.074 4.046 4.120 -0.000 0.000 0.249 147 V C 2.052 178.086 176.094 -0.100 0.000 1.055 147 V CA 1.715 63.903 62.300 -0.187 0.000 1.065 147 V CB -0.564 31.114 31.823 -0.241 0.000 0.681 147 V HN 0.384 nan 8.190 nan 0.000 0.462 148 K N -0.474 119.869 120.400 -0.096 0.000 3.736 148 K HA 0.358 4.678 4.320 -0.000 0.000 0.223 148 K C 0.234 176.812 176.600 -0.037 0.000 1.121 148 K CA -0.522 55.734 56.287 -0.051 0.000 1.731 148 K CB 0.166 32.638 32.500 -0.048 0.000 2.462 148 K HN 0.138 nan 8.250 nan 0.000 0.657 149 R N 1.408 121.889 120.500 -0.032 0.000 2.668 149 R HA 0.151 4.491 4.340 -0.000 0.000 0.279 149 R C -0.760 175.537 176.300 -0.004 0.000 0.976 149 R CA -0.768 55.323 56.100 -0.015 0.000 0.978 149 R CB 1.021 31.312 30.300 -0.015 0.000 1.133 149 R HN 0.490 nan 8.270 nan 0.000 0.484 150 D N 3.042 123.460 120.400 0.031 0.000 2.425 150 D HA 0.016 4.656 4.640 -0.000 0.000 0.247 150 D C -1.353 174.968 176.300 0.034 0.000 1.147 150 D CA -1.681 52.372 54.000 0.088 0.000 0.879 150 D CB 1.267 42.109 40.800 0.071 0.000 1.179 150 D HN 0.231 nan 8.370 nan 0.000 0.456 151 P HA -0.170 nan 4.420 nan 0.000 0.218 151 P C 1.152 178.446 177.300 -0.010 0.000 1.148 151 P CA 1.390 64.474 63.100 -0.027 0.000 0.822 151 P CB 0.228 31.895 31.700 -0.055 0.000 0.784 152 R N -1.584 118.925 120.500 0.015 0.000 2.167 152 R HA 0.147 4.486 4.340 -0.000 0.000 0.201 152 R C 2.039 178.342 176.300 0.005 0.000 1.024 152 R CA 0.766 56.871 56.100 0.008 0.000 1.053 152 R CB -1.235 29.073 30.300 0.014 0.000 0.987 152 R HN -0.171 nan 8.270 nan 0.000 0.493 153 T N 1.182 115.739 114.554 0.006 0.000 2.867 153 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 153 T C 0.366 175.062 174.700 -0.005 0.000 1.057 153 T CA 1.579 63.676 62.100 -0.005 0.000 1.136 153 T CB -0.493 68.364 68.868 -0.018 0.000 0.874 153 T HN 0.551 nan 8.240 nan 0.000 0.466 154 N N -0.264 118.434 118.700 -0.003 0.000 2.741 154 N HA -0.145 4.594 4.740 -0.000 0.000 0.250 154 N C -0.601 174.907 175.510 -0.003 0.000 1.115 154 N CA 0.720 53.767 53.050 -0.005 0.000 0.724 154 N CB -1.243 37.241 38.487 -0.004 0.000 1.090 154 N HN 0.448 nan 8.380 nan 0.000 0.558 155 M N -0.246 119.351 119.600 -0.004 0.000 2.727 155 M HA 0.440 4.920 4.480 -0.000 0.000 0.300 155 M C 0.074 176.372 176.300 -0.003 0.000 1.246 155 M CA -0.822 54.476 55.300 -0.003 0.000 0.835 155 M CB 1.779 34.376 32.600 -0.006 0.000 1.755 155 M HN -0.101 nan 8.290 nan 0.000 0.473 156 R N 1.841 122.343 120.500 0.003 0.000 2.543 156 R HA 0.182 4.521 4.340 -0.000 0.000 0.277 156 R C -0.521 175.777 176.300 -0.003 0.000 1.074 156 R CA -0.213 55.892 56.100 0.007 0.000 1.076 156 R CB 0.029 30.340 30.300 0.018 0.000 0.993 156 R HN 0.469 nan 8.270 nan 0.000 0.459 157 N N 3.863 122.558 118.700 -0.008 0.000 2.626 157 N HA 0.048 4.788 4.740 -0.000 0.000 0.242 157 N C 0.693 176.196 175.510 -0.012 0.000 1.005 157 N CA -0.407 52.592 53.050 -0.084 0.000 0.905 157 N CB 0.912 39.236 38.487 -0.273 0.000 1.128 157 N HN 0.394 nan 8.380 nan 0.000 0.512 158 M N 1.662 121.300 119.600 0.064 0.000 2.337 158 M HA -0.075 4.405 4.480 -0.000 0.000 0.261 158 M C 1.742 178.210 176.300 0.280 0.000 1.067 158 M CA 0.773 56.204 55.300 0.218 0.000 1.074 158 M CB -1.542 31.224 32.600 0.276 0.000 1.395 158 M HN 0.626 nan 8.290 nan 0.000 0.431 159 A N -1.221 121.662 122.820 0.104 0.000 2.014 159 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 159 A C 1.848 179.589 177.584 0.261 0.000 1.163 159 A CA 1.029 53.146 52.037 0.134 0.000 0.652 159 A CB -0.566 18.421 19.000 -0.023 0.000 0.808 159 A HN 0.376 nan 8.150 nan 0.000 0.449 160 Y N 0.031 120.378 120.300 0.078 0.000 2.269 160 Y HA -0.015 4.535 4.550 -0.001 0.000 0.294 160 Y C 2.280 178.161 175.900 -0.031 0.000 1.120 160 Y CA 0.792 58.901 58.100 0.015 0.000 1.159 160 Y CB -0.763 37.672 38.460 -0.041 0.000 1.024 160 Y HN 0.406 nan 8.280 nan 0.000 0.532 161 K N -0.375 120.085 120.400 0.100 0.000 1.987 161 K HA -0.250 4.070 4.320 -0.000 0.000 0.216 161 K C 1.945 178.442 176.600 -0.171 0.000 1.051 161 K CA 2.450 58.623 56.287 -0.189 0.000 0.942 161 K CB -0.698 31.678 32.500 -0.207 0.000 0.722 161 K HN 0.257 nan 8.250 nan 0.000 0.444 162 W N 1.443 122.845 121.300 0.169 0.000 2.425 162 W HA -0.126 4.534 4.660 -0.001 0.000 0.277 162 W C 2.023 178.657 176.519 0.193 0.000 1.231 162 W CA 1.009 58.486 57.345 0.221 0.000 1.248 162 W CB -0.305 29.267 29.460 0.186 0.000 1.117 162 W HN 0.435 nan 8.180 nan 0.000 0.568 163 D N -0.238 120.377 120.400 0.358 0.000 2.097 163 D HA -0.263 4.377 4.640 -0.000 0.000 0.195 163 D C 1.864 178.348 176.300 0.307 0.000 0.989 163 D CA 1.420 55.610 54.000 0.316 0.000 0.827 163 D CB -0.551 40.408 40.800 0.265 0.000 0.966 163 D HN 0.070 nan 8.370 nan 0.000 0.456 164 F N 0.211 120.141 119.950 -0.033 0.000 2.010 164 F HA -0.157 4.370 4.527 -0.000 0.000 0.296 164 F C 2.082 177.868 175.800 -0.023 0.000 1.146 164 F CA 1.463 59.360 58.000 -0.172 0.000 1.181 164 F CB -0.798 37.931 39.000 -0.451 0.000 0.965 164 F HN -0.089 nan 8.300 nan 0.000 0.480 165 F N 1.131 121.050 119.950 -0.053 0.000 2.250 165 F HA -0.179 4.348 4.527 0.000 0.000 0.301 165 F C 2.883 178.613 175.800 -0.118 0.000 1.077 165 F CA 1.262 59.135 58.000 -0.212 0.000 1.348 165 F CB -1.725 37.082 39.000 -0.322 0.000 1.040 165 F HN 0.153 nan 8.300 nan 0.000 0.509 166 S N -1.678 114.152 115.700 0.217 0.000 2.515 166 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 166 S C 1.150 175.707 174.600 -0.070 0.000 0.987 166 S CA 0.850 59.099 58.200 0.082 0.000 0.936 166 S CB -0.841 62.421 63.200 0.103 0.000 0.766 166 S HN 0.474 nan 8.310 nan 0.000 0.528 167 H N 0.713 119.720 119.070 -0.105 0.000 2.529 167 H HA 0.491 5.047 4.556 -0.000 0.000 0.277 167 H C -0.283 174.909 175.328 -0.226 0.000 1.004 167 H CA -0.048 55.910 56.048 -0.150 0.000 1.167 167 H CB 0.125 29.794 29.762 -0.155 0.000 1.445 167 H HN 0.318 nan 8.280 nan 0.000 0.554 168 L N 0.920 122.054 121.223 -0.149 0.000 2.462 168 L HA 0.284 4.623 4.340 -0.000 0.000 0.255 168 L C -2.069 174.646 176.870 -0.257 0.000 1.076 168 L CA -1.596 53.118 54.840 -0.210 0.000 0.920 168 L CB 2.387 44.312 42.059 -0.223 0.000 1.214 168 L HN -0.074 nan 8.230 nan 0.000 0.472 169 P HA -0.177 nan 4.420 nan 0.000 0.223 169 P C 1.172 178.207 177.300 -0.442 0.000 1.144 169 P CA 0.892 63.658 63.100 -0.556 0.000 0.783 169 P CB 0.206 31.286 31.700 -1.033 0.000 0.771 170 E N 0.007 120.006 120.200 -0.335 0.000 2.482 170 E HA -0.065 4.285 4.350 -0.000 0.000 0.196 170 E C 1.252 177.842 176.600 -0.016 0.000 1.047 170 E CA 1.014 57.395 56.400 -0.031 0.000 0.869 170 E CB -0.788 28.982 29.700 0.118 0.000 0.836 170 E HN 0.334 nan 8.360 nan 0.000 0.520 171 S N 0.357 116.008 115.700 -0.082 0.000 2.528 171 S HA 0.026 4.496 4.470 -0.000 0.000 0.219 171 S C 1.846 176.386 174.600 -0.100 0.000 0.985 171 S CA -0.247 57.889 58.200 -0.107 0.000 0.914 171 S CB -0.142 62.921 63.200 -0.228 0.000 0.776 171 S HN 0.046 nan 8.310 nan 0.000 0.526 172 L N 2.163 123.359 121.223 -0.046 0.000 2.081 172 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 172 L C 2.443 179.434 176.870 0.201 0.000 1.080 172 L CA 1.966 56.844 54.840 0.063 0.000 0.754 172 L CB -1.901 40.223 42.059 0.107 0.000 0.893 172 L HN 0.596 nan 8.230 nan 0.000 0.433 173 H N -1.202 117.898 119.070 0.050 0.000 2.293 173 H HA -0.228 4.328 4.556 -0.000 0.000 0.300 173 H C 2.343 177.671 175.328 0.000 0.000 1.082 173 H CA 1.512 57.592 56.048 0.054 0.000 1.308 173 H CB 0.516 30.286 29.762 0.013 0.000 1.375 173 H HN 0.217 nan 8.280 nan 0.000 0.495 174 Q N 0.701 120.483 119.800 -0.031 0.000 2.123 174 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 174 Q C 2.345 178.285 176.000 -0.099 0.000 0.966 174 Q CA 1.067 56.721 55.803 -0.248 0.000 0.845 174 Q CB -0.162 28.157 28.738 -0.699 0.000 0.907 174 Q HN 0.543 nan 8.270 nan 0.000 0.439 175 L N -0.393 120.824 121.223 -0.011 0.000 2.131 175 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 175 L C 2.104 179.141 176.870 0.279 0.000 1.092 175 L CA 1.619 56.535 54.840 0.126 0.000 0.759 175 L CB -0.680 41.457 42.059 0.129 0.000 0.903 175 L HN 0.241 nan 8.230 nan 0.000 0.435 176 T N -0.037 114.719 114.554 0.337 0.000 2.867 176 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 176 T C 1.874 176.704 174.700 0.217 0.000 1.057 176 T CA 1.111 63.438 62.100 0.379 0.000 1.136 176 T CB -0.110 69.019 68.868 0.436 0.000 0.874 176 T HN 0.239 nan 8.240 nan 0.000 0.466 177 I N 1.056 121.715 120.570 0.147 0.000 2.406 177 I HA -0.079 4.091 4.170 -0.000 0.000 0.249 177 I C 2.206 178.373 176.117 0.084 0.000 1.122 177 I CA 0.883 62.233 61.300 0.085 0.000 1.431 177 I CB -0.302 37.703 38.000 0.009 0.000 1.087 177 I HN 0.055 nan 8.210 nan 0.000 0.424 178 D N 0.985 121.439 120.400 0.090 0.000 2.097 178 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 178 D C 2.122 178.506 176.300 0.140 0.000 0.989 178 D CA 1.349 55.419 54.000 0.117 0.000 0.827 178 D CB -0.118 40.771 40.800 0.149 0.000 0.966 178 D HN 0.167 nan 8.370 nan 0.000 0.456 179 M N 0.862 120.565 119.600 0.172 0.000 2.619 179 M HA 0.035 4.515 4.480 -0.000 0.000 0.251 179 M C 0.952 177.300 176.300 0.079 0.000 1.106 179 M CA 0.180 55.572 55.300 0.152 0.000 1.086 179 M CB -0.924 31.802 32.600 0.210 0.000 1.465 179 M HN -0.104 nan 8.290 nan 0.000 0.506 180 S N 0.061 115.801 115.700 0.067 0.000 2.634 180 S HA 0.106 4.576 4.470 -0.000 0.000 0.261 180 S C 0.830 175.439 174.600 0.014 0.000 1.271 180 S CA -0.516 57.693 58.200 0.016 0.000 0.985 180 S CB 1.067 64.281 63.200 0.024 0.000 0.968 180 S HN 0.193 nan 8.310 nan 0.000 0.568 181 D N 0.276 120.669 120.400 -0.012 0.000 2.263 181 D HA -0.047 4.593 4.640 -0.000 0.000 0.208 181 D C 1.748 178.064 176.300 0.028 0.000 0.971 181 D CA 0.970 54.969 54.000 -0.002 0.000 0.867 181 D CB -0.286 40.500 40.800 -0.024 0.000 0.929 181 D HN 0.527 nan 8.370 nan 0.000 0.492 182 R N -0.049 120.478 120.500 0.044 0.000 2.339 182 R HA 0.068 4.408 4.340 -0.000 0.000 0.199 182 R C 1.894 178.249 176.300 0.091 0.000 1.018 182 R CA 0.375 56.519 56.100 0.073 0.000 1.036 182 R CB -0.054 30.302 30.300 0.093 0.000 0.899 182 R HN 0.078 nan 8.270 nan 0.000 0.473 183 G N -0.442 108.408 108.800 0.083 0.000 2.920 183 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.208 183 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.208 183 G C 0.049 175.007 174.900 0.098 0.000 1.159 183 G CA 0.025 45.184 45.100 0.100 0.000 0.784 183 G HN 0.123 nan 8.290 nan 0.000 0.535 184 L N 1.041 122.312 121.223 0.080 0.000 2.481 184 L HA 0.512 4.852 4.340 -0.000 0.000 0.255 184 L C -2.653 174.254 176.870 0.062 0.000 1.192 184 L CA -2.676 52.206 54.840 0.070 0.000 0.924 184 L CB 1.947 44.040 42.059 0.057 0.000 1.179 184 L HN -0.222 nan 8.230 nan 0.000 0.491 185 P HA 0.147 nan 4.420 nan 0.000 0.272 185 P C 0.721 178.063 177.300 0.070 0.000 1.240 185 P CA -0.333 62.819 63.100 0.087 0.000 0.791 185 P CB 0.889 32.659 31.700 0.116 0.000 0.978 186 L N 0.878 122.169 121.223 0.114 0.000 2.109 186 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 186 L C 0.599 177.518 176.870 0.082 0.000 1.086 186 L CA 1.960 56.866 54.840 0.109 0.000 0.760 186 L CB -0.314 41.830 42.059 0.141 0.000 0.910 186 L HN 0.613 nan 8.230 nan 0.000 0.437 187 S N -4.761 110.987 115.700 0.081 0.000 2.683 187 S HA 0.220 4.690 4.470 -0.000 0.000 0.269 187 S C 0.161 174.621 174.600 -0.232 0.000 1.165 187 S CA -0.389 57.707 58.200 -0.173 0.000 0.840 187 S CB -0.241 62.885 63.200 -0.123 0.000 1.169 187 S HN 0.003 nan 8.310 nan 0.000 0.490 188 Y N 0.760 120.970 120.300 -0.149 0.000 2.574 188 Y HA 0.215 4.764 4.550 -0.000 0.000 0.294 188 Y C 2.339 178.025 175.900 -0.357 0.000 1.142 188 Y CA 0.529 58.430 58.100 -0.331 0.000 1.314 188 Y CB -0.503 37.591 38.460 -0.609 0.000 0.991 188 Y HN 0.494 nan 8.280 nan 0.000 0.555 189 R N -1.073 119.224 120.500 -0.340 0.000 2.310 189 R HA 0.098 4.438 4.340 -0.000 0.000 0.202 189 R C -0.546 175.296 176.300 -0.763 0.000 0.933 189 R CA 0.283 56.042 56.100 -0.568 0.000 1.054 189 R CB 0.066 29.850 30.300 -0.860 0.000 0.985 189 R HN 0.104 nan 8.270 nan 0.000 0.489 190 F N -0.030 119.920 119.950 -0.000 0.000 2.597 190 F HA 0.362 4.889 4.527 -0.000 0.000 0.336 190 F C -0.511 175.280 175.800 -0.016 0.000 1.432 190 F CA -0.850 57.119 58.000 -0.051 0.000 1.120 190 F CB 1.010 39.976 39.000 -0.057 0.000 1.253 190 F HN -0.344 nan 8.300 nan 0.000 0.546 191 V N 0.397 120.415 119.914 0.173 0.000 3.012 191 V HA 0.438 4.558 4.120 -0.000 0.000 0.307 191 V C -0.867 175.392 176.094 0.274 0.000 1.166 191 V CA -0.685 61.741 62.300 0.210 0.000 0.974 191 V CB 2.584 34.585 31.823 0.297 0.000 1.040 191 V HN 0.270 nan 8.190 nan 0.000 0.428 192 H N 1.758 120.998 119.070 0.282 0.000 2.525 192 H HA 0.762 5.318 4.556 -0.000 0.000 0.340 192 H C 0.184 175.306 175.328 -0.344 0.000 1.168 192 H CA 0.024 56.107 56.048 0.059 0.000 1.247 192 H CB 2.197 31.891 29.762 -0.113 0.000 1.568 192 H HN 0.860 nan 8.280 nan 0.000 0.536 193 G N 0.730 109.011 108.800 -0.864 0.000 2.519 193 G HA2 0.562 4.522 3.960 -0.000 0.000 0.307 193 G HA3 0.562 4.522 3.960 -0.000 0.000 0.307 193 G C -1.639 172.773 174.900 -0.814 0.000 1.266 193 G CA -0.441 43.900 45.100 -1.264 0.000 0.970 193 G HN 0.306 nan 8.290 nan 0.000 0.481 194 F N -0.521 119.351 119.950 -0.130 0.000 2.599 194 F HA 0.541 5.068 4.527 -0.000 0.000 0.311 194 F C 1.177 177.036 175.800 0.098 0.000 1.076 194 F CA -0.528 57.466 58.000 -0.010 0.000 0.937 194 F CB 2.284 41.210 39.000 -0.123 0.000 1.282 194 F HN 0.585 nan 8.300 nan 0.000 0.460 195 G N -0.116 108.925 108.800 0.402 0.000 2.572 195 G HA2 0.145 4.105 3.960 -0.000 0.000 0.216 195 G HA3 0.145 4.105 3.960 -0.000 0.000 0.216 195 G C 0.903 176.042 174.900 0.398 0.000 1.133 195 G CA 0.837 46.235 45.100 0.496 0.000 0.791 195 G HN 0.710 nan 8.290 nan 0.000 0.538 196 S N -0.766 115.044 115.700 0.185 0.000 1.832 196 S HA -0.273 4.197 4.470 -0.000 0.000 0.231 196 S C 0.993 175.533 174.600 -0.100 0.000 0.901 196 S CA 1.591 59.763 58.200 -0.045 0.000 1.687 196 S CB -1.304 61.807 63.200 -0.148 0.000 1.858 196 S HN 0.736 nan 8.310 nan 0.000 0.523 197 H N 1.999 121.063 119.070 -0.009 0.000 2.660 197 H HA 0.294 4.850 4.556 -0.000 0.000 0.374 197 H C 0.385 175.602 175.328 -0.185 0.000 1.291 197 H CA 0.767 56.720 56.048 -0.157 0.000 1.437 197 H CB 0.077 29.635 29.762 -0.341 0.000 1.509 197 H HN 0.367 nan 8.280 nan 0.000 0.614 198 T N 2.287 116.791 114.554 -0.083 0.000 2.794 198 T HA 0.220 4.570 4.350 -0.000 0.000 0.296 198 T C -0.259 174.395 174.700 -0.077 0.000 0.949 198 T CA -0.088 61.956 62.100 -0.093 0.000 1.101 198 T CB -0.055 68.838 68.868 0.043 0.000 0.905 198 T HN 0.297 nan 8.240 nan 0.000 0.516 199 Y N 0.692 121.071 120.300 0.132 0.000 2.699 199 Y HA 0.608 5.158 4.550 -0.000 0.000 0.326 199 Y C 0.886 176.978 175.900 0.321 0.000 1.141 199 Y CA -1.013 57.249 58.100 0.270 0.000 1.246 199 Y CB 1.383 40.085 38.460 0.403 0.000 1.426 199 Y HN 0.673 nan 8.280 nan 0.000 0.559 200 S N 0.001 116.015 115.700 0.522 0.000 2.568 200 S HA 0.703 5.173 4.470 -0.000 0.000 0.293 200 S C -1.559 173.301 174.600 0.434 0.000 1.089 200 S CA -0.761 57.704 58.200 0.443 0.000 0.945 200 S CB 1.608 65.008 63.200 0.334 0.000 1.077 200 S HN 0.271 nan 8.310 nan 0.000 0.485 201 F N 1.007 121.091 119.950 0.224 0.000 2.492 201 F HA 0.642 5.169 4.527 -0.000 0.000 0.327 201 F C -0.027 175.919 175.800 0.243 0.000 1.079 201 F CA -2.081 56.042 58.000 0.204 0.000 0.967 201 F CB 1.543 40.657 39.000 0.190 0.000 1.169 201 F HN 0.468 nan 8.300 nan 0.000 0.472 202 I N 3.900 124.669 120.570 0.332 0.000 2.499 202 I HA 0.190 4.359 4.170 -0.000 0.000 0.288 202 I C -0.554 175.663 176.117 0.167 0.000 1.048 202 I CA -0.764 60.662 61.300 0.211 0.000 1.062 202 I CB 1.914 39.972 38.000 0.096 0.000 1.238 202 I HN 0.515 nan 8.210 nan 0.000 0.426 203 N N 6.191 125.019 118.700 0.213 0.000 2.478 203 N HA 0.211 4.951 4.740 -0.000 0.000 0.275 203 N C 0.632 176.182 175.510 0.067 0.000 1.221 203 N CA -0.721 52.414 53.050 0.141 0.000 0.979 203 N CB 0.990 39.611 38.487 0.224 0.000 1.202 203 N HN 0.625 nan 8.380 nan 0.000 0.564 204 K N -1.009 119.408 120.400 0.028 0.000 2.281 204 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 204 K C -0.244 176.354 176.600 -0.004 0.000 1.046 204 K CA 1.513 57.799 56.287 -0.001 0.000 0.938 204 K CB -0.100 32.391 32.500 -0.016 0.000 0.737 204 K HN 0.416 nan 8.250 nan 0.000 0.458 205 D N 1.042 121.450 120.400 0.014 0.000 2.342 205 D HA 0.025 4.665 4.640 -0.000 0.000 0.221 205 D C -0.432 175.866 176.300 -0.004 0.000 1.101 205 D CA 0.070 54.072 54.000 0.002 0.000 0.837 205 D CB -0.047 40.758 40.800 0.008 0.000 0.938 205 D HN 0.329 nan 8.370 nan 0.000 0.508 206 N N 1.431 120.132 118.700 0.003 0.000 2.783 206 N HA -0.154 4.586 4.740 -0.000 0.000 0.247 206 N C -0.981 174.498 175.510 -0.052 0.000 1.089 206 N CA 0.429 53.470 53.050 -0.016 0.000 0.690 206 N CB -0.520 37.951 38.487 -0.026 0.000 0.991 206 N HN 0.384 nan 8.380 nan 0.000 0.552 207 E N 0.889 121.063 120.200 -0.043 0.000 2.158 207 E HA 0.257 4.607 4.350 -0.000 0.000 0.271 207 E C 0.017 176.447 176.600 -0.284 0.000 0.911 207 E CA -0.618 55.667 56.400 -0.191 0.000 0.767 207 E CB 1.879 31.464 29.700 -0.191 0.000 1.120 207 E HN 0.208 nan 8.360 nan 0.000 0.405 208 R N 3.287 123.523 120.500 -0.439 0.000 2.349 208 R HA 0.369 4.708 4.340 -0.000 0.000 0.299 208 R C -1.310 174.529 176.300 -0.769 0.000 1.027 208 R CA -0.155 55.681 56.100 -0.441 0.000 0.958 208 R CB 0.478 30.492 30.300 -0.476 0.000 1.047 208 R HN 0.310 nan 8.270 nan 0.000 0.468 209 F N 2.877 122.747 119.950 -0.132 0.000 2.522 209 F HA 0.419 4.946 4.527 -0.000 0.000 0.324 209 F C -0.469 175.310 175.800 -0.036 0.000 1.077 209 F CA -0.599 57.352 58.000 -0.081 0.000 0.944 209 F CB 1.213 40.259 39.000 0.076 0.000 1.175 209 F HN 0.446 nan 8.300 nan 0.000 0.468 210 W N 2.621 124.054 121.300 0.221 0.000 2.315 210 W HA 0.642 5.302 4.660 -0.000 0.000 0.316 210 W C -0.532 176.094 176.519 0.179 0.000 1.211 210 W CA -0.804 56.681 57.345 0.234 0.000 1.201 210 W CB 1.544 31.153 29.460 0.248 0.000 1.184 210 W HN 0.304 nan 8.180 nan 0.000 0.544 211 V N 3.711 123.782 119.914 0.262 0.000 3.159 211 V HA 0.576 4.696 4.120 -0.000 0.000 0.308 211 V C -1.250 174.556 176.094 -0.479 0.000 1.190 211 V CA -1.089 61.070 62.300 -0.236 0.000 1.037 211 V CB 2.442 33.745 31.823 -0.866 0.000 1.060 211 V HN 0.532 nan 8.190 nan 0.000 0.437 212 K N 3.403 123.422 120.400 -0.635 0.000 2.498 212 K HA 0.576 4.895 4.320 -0.000 0.000 0.254 212 K C -2.001 174.321 176.600 -0.464 0.000 0.933 212 K CA -0.355 55.582 56.287 -0.583 0.000 0.806 212 K CB 2.376 34.493 32.500 -0.639 0.000 1.301 212 K HN 0.514 nan 8.250 nan 0.000 0.432 213 F N 2.003 121.944 119.950 -0.015 0.000 2.436 213 F HA 0.365 4.892 4.527 -0.000 0.000 0.340 213 F C 0.551 176.259 175.800 -0.154 0.000 1.113 213 F CA -0.556 57.438 58.000 -0.010 0.000 1.022 213 F CB 1.131 40.207 39.000 0.127 0.000 1.128 213 F HN 0.248 nan 8.300 nan 0.000 0.466 214 H N 3.436 122.472 119.070 -0.055 0.000 2.589 214 H HA 0.349 4.905 4.556 -0.000 0.000 0.351 214 H C -1.424 173.682 175.328 -0.370 0.000 1.074 214 H CA -0.702 55.254 56.048 -0.153 0.000 1.203 214 H CB 1.947 31.653 29.762 -0.094 0.000 1.558 214 H HN 0.441 nan 8.280 nan 0.000 0.522 215 F N 2.811 122.689 119.950 -0.120 0.000 2.325 215 F HA 0.347 4.874 4.527 -0.000 0.000 0.369 215 F C 0.821 176.703 175.800 0.136 0.000 1.095 215 F CA -0.669 57.382 58.000 0.085 0.000 1.082 215 F CB 0.814 39.853 39.000 0.064 0.000 1.289 215 F HN 0.221 nan 8.300 nan 0.000 0.462 216 R N 1.260 121.937 120.500 0.296 0.000 2.490 216 R HA 0.416 4.756 4.340 -0.000 0.000 0.278 216 R C -0.723 175.829 176.300 0.421 0.000 1.069 216 R CA -0.552 55.727 56.100 0.299 0.000 1.080 216 R CB 1.424 31.760 30.300 0.060 0.000 1.030 216 R HN 0.636 nan 8.270 nan 0.000 0.491 217 C N 3.173 122.747 119.300 0.457 0.000 2.255 217 C HA 0.184 4.644 4.460 -0.000 0.000 0.326 217 C C 1.019 175.945 174.990 -0.108 0.000 1.258 217 C CA -0.620 58.334 59.018 -0.107 0.000 1.676 217 C CB 0.454 28.094 27.740 -0.166 0.000 2.314 217 C HN 0.731 nan 8.230 nan 0.000 0.509 218 Q N 2.928 122.586 119.800 -0.236 0.000 2.482 218 Q HA -0.013 4.326 4.340 -0.000 0.000 0.209 218 Q C 1.070 177.000 176.000 -0.116 0.000 0.961 218 Q CA 0.868 56.596 55.803 -0.126 0.000 0.945 218 Q CB 0.132 28.800 28.738 -0.116 0.000 1.012 218 Q HN 0.810 nan 8.270 nan 0.000 0.515 219 Q N -0.798 118.913 119.800 -0.148 0.000 2.352 219 Q HA 0.304 4.644 4.340 -0.000 0.000 0.212 219 Q C 0.655 176.725 176.000 0.116 0.000 0.888 219 Q CA 0.604 56.417 55.803 0.016 0.000 0.934 219 Q CB 1.249 29.999 28.738 0.020 0.000 1.093 219 Q HN 0.380 nan 8.270 nan 0.000 0.523 220 G N 0.151 108.976 108.800 0.042 0.000 2.418 220 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.206 220 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.206 220 G C -1.419 173.483 174.900 0.003 0.000 1.202 220 G CA -0.625 44.490 45.100 0.025 0.000 1.061 220 G HN 0.017 nan 8.290 nan 0.000 0.563 221 I N 0.932 121.491 120.570 -0.018 0.000 2.610 221 I HA 0.484 4.653 4.170 -0.000 0.000 0.289 221 I C -0.570 175.508 176.117 -0.066 0.000 1.163 221 I CA -0.602 60.689 61.300 -0.014 0.000 1.044 221 I CB 1.700 39.694 38.000 -0.009 0.000 1.251 221 I HN 0.641 nan 8.210 nan 0.000 0.424 222 K N 5.331 125.694 120.400 -0.062 0.000 2.535 222 K HA 0.556 4.875 4.320 -0.000 0.000 0.250 222 K C -1.042 175.531 176.600 -0.045 0.000 0.948 222 K CA -0.861 55.317 56.287 -0.181 0.000 0.796 222 K CB 2.924 35.079 32.500 -0.574 0.000 1.216 222 K HN 0.440 nan 8.250 nan 0.000 0.432 223 N N 2.116 120.791 118.700 -0.042 0.000 2.453 223 N HA 0.538 5.278 4.740 -0.000 0.000 0.290 223 N C -0.999 174.504 175.510 -0.012 0.000 1.250 223 N CA -0.686 52.363 53.050 -0.000 0.000 0.815 223 N CB 1.711 40.202 38.487 0.006 0.000 1.381 223 N HN 0.295 nan 8.380 nan 0.000 0.510 224 L N 1.432 122.658 121.223 0.005 0.000 2.329 224 L HA 0.449 4.789 4.340 -0.000 0.000 0.279 224 L C 0.103 176.974 176.870 0.002 0.000 1.014 224 L CA -0.715 54.125 54.840 -0.000 0.000 0.814 224 L CB 1.448 43.512 42.059 0.009 0.000 1.257 224 L HN 0.281 nan 8.230 nan 0.000 0.424 225 M N 1.688 121.284 119.600 -0.006 0.000 2.243 225 M HA 0.054 4.534 4.480 -0.000 0.000 0.341 225 M C 1.112 177.415 176.300 0.005 0.000 1.130 225 M CA 0.130 55.427 55.300 -0.005 0.000 1.162 225 M CB 0.711 33.304 32.600 -0.012 0.000 1.497 225 M HN 0.568 nan 8.290 nan 0.000 0.456 226 D N 1.474 121.881 120.400 0.011 0.000 2.172 226 D HA -0.218 4.422 4.640 -0.000 0.000 0.196 226 D C 1.009 177.319 176.300 0.016 0.000 0.999 226 D CA 1.641 55.653 54.000 0.019 0.000 0.856 226 D CB 0.011 40.825 40.800 0.024 0.000 0.934 226 D HN 0.566 nan 8.370 nan 0.000 0.453 227 D N 1.336 121.742 120.400 0.010 0.000 2.117 227 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 227 D C 1.870 178.174 176.300 0.007 0.000 0.982 227 D CA 0.750 54.755 54.000 0.009 0.000 0.828 227 D CB -0.414 40.388 40.800 0.004 0.000 0.967 227 D HN 0.435 nan 8.370 nan 0.000 0.464 228 E N 1.316 121.519 120.200 0.004 0.000 2.106 228 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 228 E C 2.231 178.835 176.600 0.007 0.000 0.984 228 E CA 0.866 57.267 56.400 0.003 0.000 0.806 228 E CB -0.086 29.612 29.700 -0.003 0.000 0.750 228 E HN 0.223 nan 8.360 nan 0.000 0.458 229 A N 1.929 124.755 122.820 0.011 0.000 1.845 229 A HA -0.256 4.063 4.320 -0.000 0.000 0.215 229 A C 2.015 179.609 177.584 0.017 0.000 1.195 229 A CA 1.545 53.591 52.037 0.015 0.000 0.616 229 A CB -0.545 18.468 19.000 0.022 0.000 0.832 229 A HN 0.149 nan 8.150 nan 0.000 0.443 230 E N -0.410 119.801 120.200 0.018 0.000 2.114 230 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 230 E C 2.311 178.920 176.600 0.014 0.000 1.008 230 E CA 1.203 57.614 56.400 0.018 0.000 0.810 230 E CB -0.320 29.390 29.700 0.018 0.000 0.739 230 E HN 0.625 nan 8.360 nan 0.000 0.456 231 A N 1.042 123.869 122.820 0.012 0.000 1.877 231 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 231 A C 2.164 179.754 177.584 0.010 0.000 1.186 231 A CA 1.167 53.210 52.037 0.010 0.000 0.620 231 A CB -0.557 18.447 19.000 0.007 0.000 0.822 231 A HN 0.238 nan 8.150 nan 0.000 0.443 232 L N -0.149 121.081 121.223 0.010 0.000 2.046 232 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 232 L C 2.340 179.217 176.870 0.012 0.000 1.077 232 L CA 1.825 56.671 54.840 0.011 0.000 0.747 232 L CB -0.471 41.594 42.059 0.010 0.000 0.896 232 L HN 0.137 nan 8.230 nan 0.000 0.432 233 V N 0.036 119.958 119.914 0.014 0.000 2.358 233 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 233 V C 2.609 178.712 176.094 0.014 0.000 1.047 233 V CA 1.658 63.967 62.300 0.016 0.000 1.035 233 V CB -1.425 30.410 31.823 0.020 0.000 0.658 233 V HN 0.634 nan 8.190 nan 0.000 0.452 234 G N -0.306 108.502 108.800 0.014 0.000 2.442 234 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 234 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 234 G C 1.681 176.587 174.900 0.011 0.000 1.141 234 G CA 0.909 46.017 45.100 0.012 0.000 0.763 234 G HN 0.493 nan 8.290 nan 0.000 0.554 235 K N -0.839 119.567 120.400 0.010 0.000 2.211 235 K HA 0.103 4.423 4.320 -0.000 0.000 0.201 235 K C -0.225 176.380 176.600 0.009 0.000 1.052 235 K CA 0.623 56.915 56.287 0.009 0.000 0.973 235 K CB 0.423 32.928 32.500 0.009 0.000 0.766 235 K HN 0.217 nan 8.250 nan 0.000 0.466 236 D N -0.600 119.806 120.400 0.010 0.000 2.613 236 D HA 0.174 4.814 4.640 -0.000 0.000 0.230 236 D C -0.320 175.986 176.300 0.010 0.000 1.365 236 D CA -0.343 53.662 54.000 0.009 0.000 0.976 236 D CB 1.089 41.894 40.800 0.009 0.000 1.415 236 D HN -0.291 nan 8.370 nan 0.000 0.589 237 R N 1.352 121.859 120.500 0.010 0.000 2.339 237 R HA 0.114 4.454 4.340 -0.000 0.000 0.199 237 R C 0.289 176.599 176.300 0.016 0.000 1.018 237 R CA 0.750 56.859 56.100 0.015 0.000 1.036 237 R CB 0.271 30.581 30.300 0.015 0.000 0.899 237 R HN 0.334 nan 8.270 nan 0.000 0.473 238 E N -1.124 119.082 120.200 0.010 0.000 2.989 238 E HA 0.160 4.509 4.350 -0.000 0.000 0.207 238 E C 0.415 177.025 176.600 0.016 0.000 0.989 238 E CA -0.017 56.392 56.400 0.014 0.000 1.186 238 E CB 0.641 30.339 29.700 -0.004 0.000 1.141 238 E HN 0.089 nan 8.360 nan 0.000 0.454 239 S N 0.727 116.430 115.700 0.005 0.000 2.365 239 S HA -0.208 4.262 4.470 -0.000 0.000 0.221 239 S C 2.021 176.609 174.600 -0.021 0.000 1.037 239 S CA 1.734 59.931 58.200 -0.006 0.000 1.060 239 S CB -0.351 62.838 63.200 -0.018 0.000 0.974 239 S HN 0.236 nan 8.310 nan 0.000 0.427 240 S N 1.642 117.286 115.700 -0.094 0.000 2.399 240 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 240 S C 2.055 176.677 174.600 0.037 0.000 1.022 240 S CA 1.426 59.509 58.200 -0.195 0.000 0.983 240 S CB -0.434 62.357 63.200 -0.682 0.000 0.803 240 S HN 0.545 nan 8.310 nan 0.000 0.480 241 Q N 2.088 121.966 119.800 0.129 0.000 2.049 241 Q HA 0.034 4.374 4.340 -0.000 0.000 0.198 241 Q C 2.105 178.211 176.000 0.175 0.000 0.971 241 Q CA 1.506 57.431 55.803 0.204 0.000 0.833 241 Q CB -0.376 28.451 28.738 0.148 0.000 0.896 241 Q HN 0.481 nan 8.270 nan 0.000 0.434 242 R N -0.027 120.534 120.500 0.103 0.000 2.083 242 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 242 R C 1.813 178.205 176.300 0.155 0.000 1.137 242 R CA 2.058 58.222 56.100 0.108 0.000 0.951 242 R CB -0.557 29.780 30.300 0.061 0.000 0.851 242 R HN 0.498 nan 8.270 nan 0.000 0.434 243 D N -0.140 120.328 120.400 0.112 0.000 2.092 243 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 243 D C 1.994 178.372 176.300 0.131 0.000 0.994 243 D CA 1.250 55.310 54.000 0.100 0.000 0.828 243 D CB -0.047 40.778 40.800 0.042 0.000 0.963 243 D HN 0.234 nan 8.370 nan 0.000 0.450 244 L N -0.657 120.670 121.223 0.173 0.000 2.093 244 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 244 L C 2.089 179.094 176.870 0.226 0.000 1.085 244 L CA 0.786 55.746 54.840 0.201 0.000 0.755 244 L CB -0.299 41.930 42.059 0.282 0.000 0.904 244 L HN 0.189 nan 8.230 nan 0.000 0.435 245 F N 0.839 120.870 119.950 0.136 0.000 2.113 245 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 245 F C 2.441 178.314 175.800 0.123 0.000 1.103 245 F CA 1.688 59.769 58.000 0.136 0.000 1.248 245 F CB 0.041 39.117 39.000 0.125 0.000 0.999 245 F HN 0.039 nan 8.300 nan 0.000 0.475 246 E N 0.007 120.410 120.200 0.339 0.000 2.047 246 E HA -0.190 4.159 4.350 -0.000 0.000 0.191 246 E C 2.360 179.034 176.600 0.124 0.000 0.987 246 E CA 0.938 57.474 56.400 0.227 0.000 0.799 246 E CB -0.417 29.404 29.700 0.201 0.000 0.752 246 E HN 0.466 nan 8.360 nan 0.000 0.449 247 A N 1.359 124.249 122.820 0.117 0.000 1.873 247 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 247 A C 2.178 179.830 177.584 0.114 0.000 1.193 247 A CA 1.480 53.575 52.037 0.095 0.000 0.629 247 A CB -0.759 18.289 19.000 0.081 0.000 0.826 247 A HN 0.181 nan 8.150 nan 0.000 0.447 248 I N -1.206 119.431 120.570 0.112 0.000 2.315 248 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 248 I C 2.516 178.689 176.117 0.094 0.000 1.117 248 I CA 1.555 62.949 61.300 0.155 0.000 1.404 248 I CB -0.389 37.634 38.000 0.038 0.000 1.071 248 I HN 0.278 nan 8.210 nan 0.000 0.419 249 E N 1.023 121.191 120.200 -0.054 0.000 2.106 249 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 249 E C 2.207 178.841 176.600 0.057 0.000 0.984 249 E CA 1.047 57.428 56.400 -0.032 0.000 0.806 249 E CB -0.122 29.544 29.700 -0.057 0.000 0.750 249 E HN 0.181 nan 8.360 nan 0.000 0.458 250 R N -1.487 119.050 120.500 0.061 0.000 2.096 250 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 250 R C 1.068 177.371 176.300 0.004 0.000 1.127 250 R CA 1.455 57.581 56.100 0.043 0.000 0.968 250 R CB -0.021 30.306 30.300 0.044 0.000 0.861 250 R HN 0.341 nan 8.270 nan 0.000 0.440 251 G N -0.704 108.092 108.800 -0.008 0.000 2.205 251 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.180 251 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.180 251 G C -0.712 173.925 174.900 -0.438 0.000 1.004 251 G CA 0.015 44.955 45.100 -0.267 0.000 0.670 251 G HN 0.307 nan 8.290 nan 0.000 0.496 252 D N 1.633 121.957 120.400 -0.126 0.000 2.896 252 D HA 0.334 4.974 4.640 -0.000 0.000 0.240 252 D C 0.121 176.470 176.300 0.082 0.000 1.193 252 D CA -0.337 53.626 54.000 -0.062 0.000 0.983 252 D CB -0.357 40.446 40.800 0.004 0.000 1.074 252 D HN 0.307 nan 8.370 nan 0.000 0.496 253 Y N 2.042 122.368 120.300 0.043 0.000 2.770 253 Y HA 0.097 4.647 4.550 -0.000 0.000 0.342 253 Y C -1.519 174.414 175.900 0.055 0.000 1.221 253 Y CA -2.846 55.297 58.100 0.072 0.000 1.560 253 Y CB -0.865 37.655 38.460 0.100 0.000 1.213 253 Y HN 0.156 nan 8.280 nan 0.000 0.525 254 P HA 0.195 nan 4.420 nan 0.000 0.271 254 P C -0.333 176.993 177.300 0.043 0.000 1.216 254 P CA -0.147 62.944 63.100 -0.016 0.000 0.771 254 P CB 1.068 32.742 31.700 -0.045 0.000 0.864 255 R N 2.198 122.580 120.500 -0.197 0.000 2.711 255 R HA 0.619 4.959 4.340 -0.000 0.000 0.284 255 R C -0.876 175.226 176.300 -0.329 0.000 0.968 255 R CA -0.417 55.652 56.100 -0.051 0.000 0.924 255 R CB 1.733 32.062 30.300 0.048 0.000 1.162 255 R HN 0.583 nan 8.270 nan 0.000 0.465 256 W N 1.884 123.045 121.300 -0.232 0.000 3.129 256 W HA 0.361 5.021 4.660 -0.000 0.000 0.333 256 W C -0.625 175.932 176.519 0.064 0.000 1.141 256 W CA -0.697 56.550 57.345 -0.163 0.000 1.224 256 W CB 2.116 31.353 29.460 -0.372 0.000 1.393 256 W HN 0.246 nan 8.180 nan 0.000 0.499 257 K N 2.720 123.349 120.400 0.382 0.000 2.211 257 K HA 0.327 4.646 4.320 -0.000 0.000 0.275 257 K C -0.514 176.257 176.600 0.285 0.000 1.024 257 K CA -0.940 55.551 56.287 0.339 0.000 0.887 257 K CB 1.787 34.401 32.500 0.189 0.000 1.084 257 K HN 0.198 nan 8.250 nan 0.000 0.463 258 L N 5.186 126.593 121.223 0.305 0.000 2.261 258 L HA 0.134 4.474 4.340 -0.000 0.000 0.289 258 L C -0.601 176.295 176.870 0.043 0.000 1.059 258 L CA 0.423 55.279 54.840 0.027 0.000 0.816 258 L CB 0.448 42.675 42.059 0.279 0.000 1.191 258 L HN 0.553 nan 8.230 nan 0.000 0.431 259 Q N 5.548 125.319 119.800 -0.049 0.000 2.413 259 Q HA 0.730 5.070 4.340 -0.000 0.000 0.276 259 Q C -0.999 174.990 176.000 -0.019 0.000 1.099 259 Q CA -0.975 54.804 55.803 -0.039 0.000 0.814 259 Q CB 2.461 31.154 28.738 -0.076 0.000 1.379 259 Q HN 0.714 nan 8.270 nan 0.000 0.436 260 I N -2.035 118.497 120.570 -0.065 0.000 2.957 260 I HA 0.545 4.714 4.170 -0.000 0.000 0.310 260 I C -0.933 175.098 176.117 -0.143 0.000 1.063 260 I CA -1.235 59.998 61.300 -0.110 0.000 1.033 260 I CB 2.276 40.154 38.000 -0.203 0.000 1.230 260 I HN 0.567 nan 8.210 nan 0.000 0.447 261 Q N 3.280 123.004 119.800 -0.127 0.000 2.340 261 Q HA 0.688 5.028 4.340 -0.000 0.000 0.268 261 Q C -1.387 174.618 176.000 0.007 0.000 1.031 261 Q CA -0.648 55.150 55.803 -0.008 0.000 0.804 261 Q CB 3.326 32.155 28.738 0.151 0.000 1.286 261 Q HN 0.692 nan 8.270 nan 0.000 0.448 262 I N 2.302 122.860 120.570 -0.019 0.000 2.582 262 I HA 0.537 4.706 4.170 -0.000 0.000 0.292 262 I C -1.612 174.486 176.117 -0.031 0.000 1.066 262 I CA -0.730 60.500 61.300 -0.116 0.000 1.053 262 I CB 1.700 39.380 38.000 -0.533 0.000 1.241 262 I HN 0.682 nan 8.210 nan 0.000 0.421 263 M N 9.482 129.081 119.600 -0.001 0.000 2.151 263 M HA 0.603 5.083 4.480 -0.000 0.000 0.290 263 M C -2.780 173.598 176.300 0.131 0.000 0.965 263 M CA -1.712 53.504 55.300 -0.141 0.000 0.930 263 M CB 2.204 34.353 32.600 -0.751 0.000 1.560 263 M HN 0.256 nan 8.290 nan 0.000 0.438 264 P HA 0.013 nan 4.420 nan 0.000 0.266 264 P C 0.129 177.392 177.300 -0.061 0.000 1.195 264 P CA 0.369 63.498 63.100 0.049 0.000 0.768 264 P CB 0.561 32.311 31.700 0.084 0.000 0.838 265 E N 3.437 123.449 120.200 -0.312 0.000 2.113 265 E HA -0.345 4.004 4.350 -0.000 0.000 0.210 265 E C 1.233 177.838 176.600 0.010 0.000 1.040 265 E CA 1.905 58.089 56.400 -0.360 0.000 0.847 265 E CB -0.064 29.358 29.700 -0.464 0.000 0.755 265 E HN 0.351 nan 8.360 nan 0.000 0.459 266 K N -0.054 120.325 120.400 -0.035 0.000 2.097 266 K HA -0.186 4.133 4.320 -0.000 0.000 0.206 266 K C 2.173 178.791 176.600 0.031 0.000 1.049 266 K CA 1.453 57.746 56.287 0.010 0.000 0.933 266 K CB -0.108 32.382 32.500 -0.016 0.000 0.717 266 K HN 0.154 nan 8.250 nan 0.000 0.442 267 E N 0.497 120.714 120.200 0.028 0.000 2.267 267 E HA -0.159 4.191 4.350 -0.000 0.000 0.197 267 E C 1.686 178.249 176.600 -0.062 0.000 0.998 267 E CA 0.851 57.247 56.400 -0.006 0.000 0.830 267 E CB -0.029 29.677 29.700 0.011 0.000 0.751 267 E HN 0.337 nan 8.360 nan 0.000 0.491 268 A N 0.041 122.860 122.820 -0.002 0.000 2.084 268 A HA -0.200 4.120 4.320 -0.000 0.000 0.221 268 A C 2.096 179.617 177.584 -0.105 0.000 1.161 268 A CA 1.764 53.741 52.037 -0.100 0.000 0.653 268 A CB -0.217 18.857 19.000 0.123 0.000 0.802 268 A HN 0.195 nan 8.150 nan 0.000 0.457 269 S N -1.587 114.089 115.700 -0.040 0.000 2.503 269 S HA 0.002 4.472 4.470 -0.000 0.000 0.217 269 S C 1.594 176.142 174.600 -0.087 0.000 0.999 269 S CA 0.951 59.121 58.200 -0.049 0.000 0.914 269 S CB 0.100 63.296 63.200 -0.007 0.000 0.782 269 S HN 0.596 nan 8.310 nan 0.000 0.520 270 T N 1.413 115.904 114.554 -0.105 0.000 3.057 270 T HA 0.219 4.569 4.350 -0.000 0.000 0.254 270 T C 0.507 175.103 174.700 -0.174 0.000 1.094 270 T CA 0.295 62.330 62.100 -0.109 0.000 1.088 270 T CB 0.192 69.015 68.868 -0.075 0.000 0.934 270 T HN 0.084 nan 8.240 nan 0.000 0.497 271 V N 4.086 123.834 119.914 -0.277 0.000 2.439 271 V HA 0.241 4.360 4.120 -0.000 0.000 0.282 271 V C -1.328 174.448 176.094 -0.529 0.000 1.039 271 V CA -1.844 60.161 62.300 -0.492 0.000 0.913 271 V CB 1.911 33.359 31.823 -0.625 0.000 0.983 271 V HN 0.167 nan 8.190 nan 0.000 0.460 272 P HA -0.019 nan 4.420 nan 0.000 0.233 272 P C -0.440 176.767 177.300 -0.155 0.000 1.167 272 P CA 0.713 63.671 63.100 -0.236 0.000 0.770 272 P CB -0.036 31.609 31.700 -0.092 0.000 0.837 273 Y N -1.606 118.671 120.300 -0.038 0.000 2.420 273 Y HA 0.558 5.108 4.550 -0.000 0.000 0.334 273 Y C 0.439 176.305 175.900 -0.056 0.000 1.094 273 Y CA -2.501 55.584 58.100 -0.024 0.000 1.126 273 Y CB -0.208 38.263 38.460 0.018 0.000 1.217 273 Y HN -0.327 nan 8.280 nan 0.000 0.462 274 N N 4.973 123.731 118.700 0.097 0.000 2.417 274 N HA -0.005 4.735 4.740 -0.000 0.000 0.272 274 N C -1.542 173.986 175.510 0.030 0.000 1.304 274 N CA -1.593 51.472 53.050 0.025 0.000 0.906 274 N CB 0.685 39.219 38.487 0.078 0.000 1.135 274 N HN 0.573 nan 8.380 nan 0.000 0.483 275 P HA -0.077 nan 4.420 nan 0.000 0.226 275 P C -0.018 177.134 177.300 -0.247 0.000 1.153 275 P CA 0.974 63.934 63.100 -0.232 0.000 0.777 275 P CB -0.012 31.214 31.700 -0.790 0.000 0.794 276 F N 0.125 120.115 119.950 0.067 0.000 2.916 276 F HA 0.309 4.835 4.527 -0.000 0.000 0.294 276 F C 0.616 176.424 175.800 0.013 0.000 1.189 276 F CA -1.158 56.827 58.000 -0.024 0.000 1.369 276 F CB -0.411 38.515 39.000 -0.124 0.000 0.961 276 F HN -0.164 nan 8.300 nan 0.000 0.508 277 D N 1.140 121.630 120.400 0.150 0.000 2.349 277 D HA 0.157 4.796 4.640 -0.000 0.000 0.232 277 D C 1.156 177.493 176.300 0.062 0.000 1.071 277 D CA -0.129 53.941 54.000 0.117 0.000 0.832 277 D CB 1.446 42.321 40.800 0.124 0.000 1.086 277 D HN 0.233 nan 8.370 nan 0.000 0.504 278 L N 3.005 124.252 121.223 0.039 0.000 2.187 278 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 278 L C 1.980 178.841 176.870 -0.015 0.000 1.100 278 L CA 1.580 56.403 54.840 -0.028 0.000 0.765 278 L CB -0.057 41.996 42.059 -0.010 0.000 0.904 278 L HN 0.520 nan 8.230 nan 0.000 0.437 279 T N -4.014 110.567 114.554 0.045 0.000 3.129 279 T HA 0.069 4.419 4.350 -0.000 0.000 0.251 279 T C 0.632 175.428 174.700 0.160 0.000 1.117 279 T CA -0.097 62.044 62.100 0.068 0.000 1.034 279 T CB 0.027 68.961 68.868 0.110 0.000 0.968 279 T HN 0.148 nan 8.240 nan 0.000 0.526 280 K N 0.305 120.767 120.400 0.103 0.000 2.328 280 K HA 0.727 5.047 4.320 -0.000 0.000 0.246 280 K C -1.356 175.275 176.600 0.052 0.000 0.955 280 K CA -0.923 55.438 56.287 0.123 0.000 0.817 280 K CB 2.944 35.509 32.500 0.108 0.000 1.208 280 K HN 0.013 nan 8.250 nan 0.000 0.432 281 V N 1.172 121.124 119.914 0.064 0.000 3.019 281 V HA 0.488 4.608 4.120 -0.000 0.000 0.317 281 V C -1.499 174.628 176.094 0.055 0.000 1.094 281 V CA -0.754 61.563 62.300 0.029 0.000 1.000 281 V CB 1.313 33.187 31.823 0.084 0.000 1.060 281 V HN 0.644 nan 8.190 nan 0.000 0.443 282 W N 3.903 125.144 121.300 -0.097 0.000 2.311 282 W HA 0.465 5.124 4.660 -0.000 0.000 0.317 282 W C -2.269 174.268 176.519 0.029 0.000 1.065 282 W CA -3.185 54.079 57.345 -0.135 0.000 1.364 282 W CB -0.378 29.099 29.460 0.028 0.000 1.233 282 W HN 0.409 nan 8.180 nan 0.000 0.409 283 P HA -0.170 nan 4.420 nan 0.000 0.259 283 P C 1.136 178.610 177.300 0.290 0.000 1.155 283 P CA 1.137 64.360 63.100 0.206 0.000 0.759 283 P CB 0.331 32.071 31.700 0.066 0.000 0.753 284 H N 2.687 121.808 119.070 0.086 0.000 2.457 284 H HA -0.117 4.438 4.556 -0.000 0.000 0.294 284 H C 1.859 177.202 175.328 0.026 0.000 1.064 284 H CA 0.989 57.077 56.048 0.067 0.000 1.330 284 H CB 0.146 29.926 29.762 0.031 0.000 1.395 284 H HN 0.480 nan 8.280 nan 0.000 0.541 285 A N 1.336 124.234 122.820 0.130 0.000 1.902 285 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 285 A C 1.804 179.356 177.584 -0.053 0.000 1.181 285 A CA 2.027 54.086 52.037 0.035 0.000 0.623 285 A CB -0.183 18.833 19.000 0.028 0.000 0.818 285 A HN 0.303 nan 8.150 nan 0.000 0.443 286 D N -2.223 118.115 120.400 -0.104 0.000 2.183 286 D HA 0.053 4.693 4.640 -0.000 0.000 0.205 286 D C -0.450 175.401 176.300 -0.748 0.000 0.962 286 D CA 1.041 54.804 54.000 -0.395 0.000 0.849 286 D CB -0.079 40.502 40.800 -0.364 0.000 0.978 286 D HN 0.494 nan 8.370 nan 0.000 0.488 287 Y N 0.746 121.071 120.300 0.042 0.000 2.594 287 Y HA 0.309 4.859 4.550 -0.000 0.000 0.338 287 Y C -2.290 173.598 175.900 -0.020 0.000 1.019 287 Y CA -2.654 55.462 58.100 0.026 0.000 1.306 287 Y CB 1.669 40.189 38.460 0.100 0.000 1.094 287 Y HN -0.156 nan 8.280 nan 0.000 0.534 288 P HA 0.183 nan 4.420 nan 0.000 0.276 288 P C -0.383 176.874 177.300 -0.071 0.000 1.244 288 P CA -0.309 62.779 63.100 -0.021 0.000 0.801 288 P CB 1.773 33.470 31.700 -0.005 0.000 1.006 289 L N 2.350 123.485 121.223 -0.147 0.000 2.367 289 L HA 0.278 4.617 4.340 -0.000 0.000 0.275 289 L C 0.897 177.697 176.870 -0.116 0.000 1.129 289 L CA 0.146 54.871 54.840 -0.192 0.000 0.839 289 L CB -0.219 41.698 42.059 -0.236 0.000 1.133 289 L HN 0.263 nan 8.230 nan 0.000 0.453 290 M N 2.702 122.234 119.600 -0.114 0.000 2.456 290 M HA 0.357 4.837 4.480 -0.000 0.000 0.324 290 M C -0.833 175.394 176.300 -0.122 0.000 1.124 290 M CA -0.684 54.560 55.300 -0.095 0.000 0.959 290 M CB 2.144 34.704 32.600 -0.068 0.000 1.692 290 M HN 0.441 nan 8.290 nan 0.000 0.444 291 D N 1.505 121.783 120.400 -0.203 0.000 2.255 291 D HA 0.253 4.892 4.640 -0.000 0.000 0.249 291 D C 0.346 176.543 176.300 -0.171 0.000 1.078 291 D CA -0.029 53.807 54.000 -0.274 0.000 0.896 291 D CB 2.511 42.931 40.800 -0.633 0.000 1.194 291 D HN 0.302 nan 8.370 nan 0.000 0.429 292 V N 0.767 120.691 119.914 0.018 0.000 2.911 292 V HA 0.387 4.507 4.120 -0.000 0.000 0.237 292 V C 0.972 177.235 176.094 0.282 0.000 1.156 292 V CA 0.742 63.131 62.300 0.148 0.000 1.180 292 V CB 0.538 32.443 31.823 0.137 0.000 0.932 292 V HN 0.768 nan 8.190 nan 0.000 0.483 293 G N -0.617 108.364 108.800 0.301 0.000 2.364 293 G HA2 0.489 4.449 3.960 -0.000 0.000 0.286 293 G HA3 0.489 4.449 3.960 -0.000 0.000 0.286 293 G C -2.027 173.057 174.900 0.306 0.000 1.241 293 G CA 0.074 45.289 45.100 0.192 0.000 0.887 293 G HN 0.399 nan 8.290 nan 0.000 0.484 294 Y N -1.161 119.085 120.300 -0.090 0.000 2.625 294 Y HA 0.849 5.398 4.550 -0.000 0.000 0.338 294 Y C -1.170 174.927 175.900 0.329 0.000 1.123 294 Y CA -2.654 55.564 58.100 0.198 0.000 1.046 294 Y CB 1.273 39.810 38.460 0.127 0.000 1.299 294 Y HN 1.087 nan 8.280 nan 0.000 0.464 295 F N -0.283 119.943 119.950 0.460 0.000 2.577 295 F HA 0.827 5.354 4.527 -0.000 0.000 0.318 295 F C -0.948 175.112 175.800 0.433 0.000 1.065 295 F CA -1.203 57.023 58.000 0.376 0.000 0.929 295 F CB 2.314 41.657 39.000 0.572 0.000 1.237 295 F HN 0.770 nan 8.300 nan 0.000 0.468 296 E N 2.855 123.386 120.200 0.551 0.000 2.248 296 E HA 0.512 4.862 4.350 -0.000 0.000 0.267 296 E C -2.148 174.710 176.600 0.429 0.000 0.877 296 E CA -1.002 55.675 56.400 0.461 0.000 0.759 296 E CB 2.118 32.049 29.700 0.385 0.000 1.182 296 E HN 0.774 nan 8.360 nan 0.000 0.418 297 L N 4.376 125.851 121.223 0.419 0.000 2.276 297 L HA 0.321 4.661 4.340 -0.000 0.000 0.286 297 L C 0.132 177.023 176.870 0.035 0.000 1.061 297 L CA 0.105 55.101 54.840 0.261 0.000 0.807 297 L CB 0.908 43.186 42.059 0.365 0.000 1.177 297 L HN 0.733 nan 8.230 nan 0.000 0.429 298 N N 1.596 120.204 118.700 -0.153 0.000 1.986 298 N HA 0.143 4.882 4.740 -0.000 0.000 0.227 298 N C -0.085 175.202 175.510 -0.372 0.000 1.387 298 N CA -0.368 52.306 53.050 -0.626 0.000 0.810 298 N CB 0.479 38.393 38.487 -0.954 0.000 1.140 298 N HN 0.363 nan 8.380 nan 0.000 0.504 299 R N 0.467 120.920 120.500 -0.077 0.000 2.515 299 R HA 0.350 4.690 4.340 -0.000 0.000 0.291 299 R C -1.348 175.046 176.300 0.156 0.000 1.046 299 R CA -0.473 55.628 56.100 0.002 0.000 0.914 299 R CB 1.133 31.437 30.300 0.006 0.000 1.191 299 R HN 0.188 nan 8.270 nan 0.000 0.435 300 N N 4.285 123.022 118.700 0.061 0.000 2.518 300 N HA 0.153 4.893 4.740 -0.000 0.000 0.266 300 N C -2.205 173.489 175.510 0.307 0.000 1.196 300 N CA -1.180 51.941 53.050 0.119 0.000 0.947 300 N CB 0.816 39.201 38.487 -0.170 0.000 1.098 300 N HN 0.270 nan 8.380 nan 0.000 0.450 301 P HA -0.042 nan 4.420 nan 0.000 0.264 301 P C -0.372 177.120 177.300 0.321 0.000 1.193 301 P CA 0.064 63.479 63.100 0.525 0.000 0.763 301 P CB 0.872 32.881 31.700 0.515 0.000 0.810 302 D N 1.297 121.816 120.400 0.198 0.000 2.097 302 D HA -0.111 4.529 4.640 -0.000 0.000 0.195 302 D C 0.670 177.079 176.300 0.182 0.000 0.989 302 D CA 1.586 55.675 54.000 0.149 0.000 0.827 302 D CB 0.125 40.963 40.800 0.063 0.000 0.966 302 D HN 0.454 nan 8.370 nan 0.000 0.456 303 N N -0.795 118.011 118.700 0.176 0.000 2.448 303 N HA -0.019 4.721 4.740 -0.000 0.000 0.279 303 N C -0.063 175.577 175.510 0.217 0.000 1.025 303 N CA -0.314 52.849 53.050 0.188 0.000 0.898 303 N CB 1.572 40.143 38.487 0.139 0.000 1.303 303 N HN -0.100 nan 8.380 nan 0.000 0.495 304 Y N 4.604 125.006 120.300 0.169 0.000 2.200 304 Y HA -0.153 4.397 4.550 -0.000 0.000 0.290 304 Y C 1.646 177.640 175.900 0.156 0.000 1.137 304 Y CA 1.556 59.754 58.100 0.164 0.000 1.163 304 Y CB -0.088 38.463 38.460 0.152 0.000 0.988 304 Y HN 0.661 nan 8.280 nan 0.000 0.518 305 F N -0.056 119.986 119.950 0.154 0.000 2.084 305 F HA -0.147 4.380 4.527 -0.000 0.000 0.296 305 F C 2.503 178.264 175.800 -0.066 0.000 1.111 305 F CA 2.056 60.087 58.000 0.052 0.000 1.224 305 F CB -0.796 38.258 39.000 0.090 0.000 0.991 305 F HN -0.095 nan 8.300 nan 0.000 0.471 306 S N -0.169 115.580 115.700 0.083 0.000 2.423 306 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 306 S C 1.395 175.869 174.600 -0.210 0.000 1.014 306 S CA 1.391 59.550 58.200 -0.069 0.000 0.965 306 S CB -0.262 62.977 63.200 0.065 0.000 0.785 306 S HN 0.482 nan 8.310 nan 0.000 0.495 307 D N -0.178 120.100 120.400 -0.204 0.000 2.840 307 D HA 0.138 4.778 4.640 -0.000 0.000 0.277 307 D C 2.028 178.055 176.300 -0.455 0.000 1.066 307 D CA 0.582 54.395 54.000 -0.311 0.000 0.979 307 D CB -0.334 40.415 40.800 -0.084 0.000 1.157 307 D HN 0.162 nan 8.370 nan 0.000 0.466 308 V N 1.319 121.006 119.914 -0.379 0.000 2.256 308 V HA -0.137 3.983 4.120 -0.000 0.000 0.240 308 V C 2.453 178.291 176.094 -0.426 0.000 1.036 308 V CA 1.542 63.630 62.300 -0.352 0.000 1.008 308 V CB -0.353 31.066 31.823 -0.674 0.000 0.648 308 V HN 0.046 nan 8.190 nan 0.000 0.453 309 E N 0.582 120.430 120.200 -0.587 0.000 2.058 309 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 309 E C 2.164 178.510 176.600 -0.425 0.000 0.997 309 E CA 1.661 57.827 56.400 -0.390 0.000 0.801 309 E CB -0.306 29.213 29.700 -0.302 0.000 0.746 309 E HN 0.614 nan 8.360 nan 0.000 0.450 310 Q N -0.163 119.285 119.800 -0.586 0.000 2.515 310 Q HA 0.131 4.471 4.340 -0.000 0.000 0.212 310 Q C -0.063 175.696 176.000 -0.401 0.000 0.970 310 Q CA 0.280 55.783 55.803 -0.500 0.000 0.941 310 Q CB 0.129 28.537 28.738 -0.549 0.000 0.998 310 Q HN 0.233 nan 8.270 nan 0.000 0.518 311 A N 1.020 123.609 122.820 -0.385 0.000 2.425 311 A HA 0.496 4.816 4.320 -0.000 0.000 0.249 311 A C -0.194 177.139 177.584 -0.419 0.000 1.084 311 A CA 0.072 51.836 52.037 -0.454 0.000 0.781 311 A CB 0.383 19.138 19.000 -0.409 0.000 1.019 311 A HN 0.256 nan 8.150 nan 0.000 0.490 312 A N 2.192 124.653 122.820 -0.598 0.000 2.332 312 A HA 0.707 5.027 4.320 -0.000 0.000 0.300 312 A C -0.893 176.360 177.584 -0.552 0.000 1.153 312 A CA -0.406 51.228 52.037 -0.671 0.000 0.764 312 A CB 0.345 18.705 19.000 -1.066 0.000 1.174 312 A HN 0.623 nan 8.150 nan 0.000 0.467 313 F N 1.150 121.016 119.950 -0.141 0.000 2.470 313 F HA 0.798 5.325 4.527 -0.000 0.000 0.329 313 F C 0.839 176.716 175.800 0.129 0.000 1.072 313 F CA -0.398 57.559 58.000 -0.071 0.000 0.989 313 F CB 2.438 41.343 39.000 -0.159 0.000 1.193 313 F HN 0.484 nan 8.300 nan 0.000 0.481 314 S N 1.893 117.692 115.700 0.164 0.000 2.562 314 S HA 0.388 4.858 4.470 -0.000 0.000 0.274 314 S C -2.420 172.113 174.600 -0.112 0.000 1.160 314 S CA -1.185 57.006 58.200 -0.016 0.000 0.933 314 S CB 1.740 65.029 63.200 0.149 0.000 1.100 314 S HN 0.236 nan 8.310 nan 0.000 0.468 315 P HA -0.040 nan 4.420 nan 0.000 0.218 315 P C 1.178 178.601 177.300 0.205 0.000 1.146 315 P CA 1.464 64.551 63.100 -0.022 0.000 0.813 315 P CB 0.105 31.723 31.700 -0.138 0.000 0.778 316 A N -1.129 121.749 122.820 0.098 0.000 2.172 316 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 316 A C 1.018 178.765 177.584 0.271 0.000 1.154 316 A CA 0.806 52.972 52.037 0.216 0.000 0.701 316 A CB -1.302 17.758 19.000 0.099 0.000 0.789 316 A HN 0.285 nan 8.150 nan 0.000 0.465 317 N N 0.086 118.907 118.700 0.203 0.000 2.868 317 N HA 0.390 5.129 4.740 -0.000 0.000 0.252 317 N C -1.344 174.321 175.510 0.259 0.000 1.130 317 N CA -0.253 52.901 53.050 0.173 0.000 1.026 317 N CB 0.334 38.875 38.487 0.091 0.000 1.335 317 N HN 0.235 nan 8.380 nan 0.000 0.516 318 I N 1.964 122.667 120.570 0.221 0.000 2.412 318 I HA 0.241 4.411 4.170 -0.000 0.000 0.296 318 I C 0.004 176.116 176.117 -0.008 0.000 0.987 318 I CA -0.897 60.474 61.300 0.120 0.000 1.180 318 I CB 1.584 39.601 38.000 0.029 0.000 1.340 318 I HN 0.036 nan 8.210 nan 0.000 0.455 319 V N 4.527 124.363 119.914 -0.130 0.000 2.966 319 V HA 0.704 4.823 4.120 -0.000 0.000 0.317 319 V C -2.551 173.433 176.094 -0.184 0.000 1.070 319 V CA -2.541 59.662 62.300 -0.162 0.000 1.008 319 V CB 0.837 32.542 31.823 -0.195 0.000 1.070 319 V HN 0.559 nan 8.190 nan 0.000 0.457 320 P HA 0.289 nan 4.420 nan 0.000 0.264 320 P C 0.967 178.229 177.300 -0.064 0.000 1.183 320 P CA 2.026 65.091 63.100 -0.057 0.000 0.763 320 P CB 0.644 32.355 31.700 0.018 0.000 0.807 321 G N 2.341 111.125 108.800 -0.027 0.000 2.217 321 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.246 321 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.246 321 G C 0.081 174.949 174.900 -0.054 0.000 0.990 321 G CA -0.300 44.772 45.100 -0.047 0.000 0.627 321 G HN 0.488 nan 8.290 nan 0.000 0.522 322 I N 0.883 121.395 120.570 -0.097 0.000 2.474 322 I HA 0.712 4.882 4.170 -0.000 0.000 0.294 322 I C 0.215 176.297 176.117 -0.059 0.000 1.005 322 I CA -0.533 60.766 61.300 -0.001 0.000 1.113 322 I CB 2.022 39.847 38.000 -0.293 0.000 1.289 322 I HN 0.185 nan 8.210 nan 0.000 0.436 323 S N 4.107 119.824 115.700 0.027 0.000 2.843 323 S HA 0.681 5.150 4.470 -0.000 0.000 0.301 323 S C -0.971 173.572 174.600 -0.095 0.000 1.206 323 S CA -0.477 57.551 58.200 -0.287 0.000 0.875 323 S CB 0.912 63.977 63.200 -0.224 0.000 1.248 323 S HN 0.279 nan 8.310 nan 0.000 0.555 324 F N 1.985 122.108 119.950 0.289 0.000 2.294 324 F HA 0.764 5.291 4.527 -0.000 0.000 0.319 324 F C 1.069 177.007 175.800 0.230 0.000 1.107 324 F CA -0.284 57.843 58.000 0.212 0.000 1.094 324 F CB 0.429 39.482 39.000 0.089 0.000 1.508 324 F HN 0.644 nan 8.300 nan 0.000 0.506 325 S N -1.686 114.149 115.700 0.226 0.000 2.618 325 S HA 0.533 5.003 4.470 -0.000 0.000 0.277 325 S C -2.754 171.656 174.600 -0.316 0.000 1.138 325 S CA -1.342 56.786 58.200 -0.119 0.000 0.844 325 S CB 1.778 64.761 63.200 -0.362 0.000 1.127 325 S HN 0.208 nan 8.310 nan 0.000 0.474 326 P HA 0.159 nan 4.420 nan 0.000 0.252 326 P C -0.480 176.606 177.300 -0.358 0.000 1.265 326 P CA 0.138 62.957 63.100 -0.469 0.000 0.775 326 P CB -0.311 31.071 31.700 -0.530 0.000 1.128 327 D N 0.983 121.203 120.400 -0.301 0.000 2.426 327 D HA -0.075 4.565 4.640 -0.000 0.000 0.261 327 D C 0.995 177.267 176.300 -0.047 0.000 1.245 327 D CA 0.446 54.410 54.000 -0.061 0.000 0.917 327 D CB 0.706 41.523 40.800 0.028 0.000 1.123 327 D HN 0.077 nan 8.370 nan 0.000 0.508 328 K N 3.470 123.867 120.400 -0.005 0.000 2.113 328 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 328 K C 1.984 178.595 176.600 0.018 0.000 1.047 328 K CA 1.094 57.384 56.287 0.006 0.000 0.928 328 K CB 0.030 32.556 32.500 0.042 0.000 0.716 328 K HN 0.531 nan 8.250 nan 0.000 0.446 329 M N 0.532 120.174 119.600 0.069 0.000 2.229 329 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 329 M C 2.231 178.552 176.300 0.036 0.000 1.063 329 M CA 1.179 56.542 55.300 0.105 0.000 1.114 329 M CB -0.590 32.126 32.600 0.193 0.000 1.387 329 M HN 0.253 nan 8.290 nan 0.000 0.420 330 L N 0.046 121.211 121.223 -0.097 0.000 2.056 330 L HA -0.227 4.113 4.340 -0.000 0.000 0.207 330 L C 2.641 179.335 176.870 -0.294 0.000 1.078 330 L CA 1.257 55.816 54.840 -0.469 0.000 0.749 330 L CB -0.274 41.396 42.059 -0.649 0.000 0.901 330 L HN 0.336 nan 8.230 nan 0.000 0.433 331 Q N -0.254 119.424 119.800 -0.203 0.000 2.029 331 Q HA -0.231 4.109 4.340 -0.000 0.000 0.209 331 Q C 2.029 177.955 176.000 -0.123 0.000 0.999 331 Q CA 2.040 57.736 55.803 -0.178 0.000 0.857 331 Q CB -0.829 27.843 28.738 -0.110 0.000 0.926 331 Q HN 0.643 nan 8.270 nan 0.000 0.415 332 G N 0.843 109.608 108.800 -0.058 0.000 2.442 332 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 332 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 332 G C 1.526 176.442 174.900 0.027 0.000 1.141 332 G CA 0.740 45.845 45.100 0.009 0.000 0.763 332 G HN 0.295 nan 8.290 nan 0.000 0.554 333 R N -0.581 119.892 120.500 -0.044 0.000 2.105 333 R HA -0.038 4.302 4.340 -0.000 0.000 0.239 333 R C 2.343 178.626 176.300 -0.028 0.000 1.135 333 R CA 0.776 56.875 56.100 -0.000 0.000 0.967 333 R CB -0.469 29.743 30.300 -0.146 0.000 0.861 333 R HN 0.255 nan 8.270 nan 0.000 0.442 334 L N -0.234 120.908 121.223 -0.135 0.000 2.261 334 L HA -0.179 4.161 4.340 -0.000 0.000 0.216 334 L C 1.824 178.702 176.870 0.013 0.000 1.114 334 L CA 1.535 56.285 54.840 -0.151 0.000 0.777 334 L CB -0.552 41.321 42.059 -0.310 0.000 0.910 334 L HN 0.139 nan 8.230 nan 0.000 0.440 335 F N -1.319 118.587 119.950 -0.074 0.000 2.298 335 F HA 0.011 4.538 4.527 -0.000 0.000 0.282 335 F C 2.690 178.472 175.800 -0.030 0.000 1.045 335 F CA 1.090 59.061 58.000 -0.048 0.000 1.280 335 F CB -0.696 38.275 39.000 -0.048 0.000 1.114 335 F HN -0.040 nan 8.300 nan 0.000 0.546 336 S N -0.079 115.463 115.700 -0.263 0.000 2.369 336 S HA -0.293 4.177 4.470 -0.000 0.000 0.225 336 S C 2.145 176.486 174.600 -0.433 0.000 1.043 336 S CA 2.187 60.120 58.200 -0.444 0.000 1.074 336 S CB -0.962 62.134 63.200 -0.172 0.000 0.962 336 S HN 0.498 nan 8.310 nan 0.000 0.433 337 Y N 1.599 121.658 120.300 -0.402 0.000 2.114 337 Y HA -0.030 4.520 4.550 -0.000 0.000 0.282 337 Y C 2.886 178.272 175.900 -0.856 0.000 1.165 337 Y CA 1.141 58.924 58.100 -0.529 0.000 1.148 337 Y CB -1.298 36.952 38.460 -0.349 0.000 0.972 337 Y HN 0.419 nan 8.280 nan 0.000 0.504 338 G N -0.806 107.766 108.800 -0.380 0.000 2.418 338 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 338 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 338 G C 1.318 176.063 174.900 -0.258 0.000 1.158 338 G CA 1.262 46.218 45.100 -0.241 0.000 0.771 338 G HN 0.419 nan 8.290 nan 0.000 0.545 339 D N 0.741 120.912 120.400 -0.382 0.000 2.104 339 D HA -0.022 4.617 4.640 -0.000 0.000 0.194 339 D C 2.725 178.882 176.300 -0.238 0.000 0.994 339 D CA 1.588 55.373 54.000 -0.357 0.000 0.830 339 D CB -0.351 40.009 40.800 -0.733 0.000 0.959 339 D HN 0.234 nan 8.370 nan 0.000 0.452 340 A N -0.544 122.083 122.820 -0.322 0.000 1.908 340 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 340 A C 2.015 179.564 177.584 -0.059 0.000 1.181 340 A CA 1.988 53.905 52.037 -0.201 0.000 0.627 340 A CB -1.189 17.624 19.000 -0.313 0.000 0.818 340 A HN 0.522 nan 8.150 nan 0.000 0.445 341 H N -0.972 118.017 119.070 -0.135 0.000 2.290 341 H HA -0.129 4.427 4.556 -0.000 0.000 0.298 341 H C 2.523 177.747 175.328 -0.174 0.000 1.087 341 H CA 1.485 57.390 56.048 -0.238 0.000 1.291 341 H CB -0.070 29.412 29.762 -0.467 0.000 1.369 341 H HN 0.399 nan 8.280 nan 0.000 0.492 342 R N -0.091 120.451 120.500 0.071 0.000 2.083 342 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 342 R C 2.275 178.642 176.300 0.112 0.000 1.137 342 R CA 1.820 57.992 56.100 0.120 0.000 0.951 342 R CB -0.473 29.891 30.300 0.106 0.000 0.851 342 R HN 0.396 nan 8.270 nan 0.000 0.434 343 Y N 1.265 121.549 120.300 -0.025 0.000 2.163 343 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 343 Y C 2.508 178.397 175.900 -0.019 0.000 1.136 343 Y CA 1.627 59.714 58.100 -0.023 0.000 1.147 343 Y CB -0.172 38.266 38.460 -0.038 0.000 0.987 343 Y HN -0.134 nan 8.280 nan 0.000 0.509 344 R N -0.253 120.250 120.500 0.005 0.000 2.092 344 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 344 R C 1.417 177.627 176.300 -0.150 0.000 1.119 344 R CA 1.988 58.011 56.100 -0.128 0.000 0.970 344 R CB -0.110 30.197 30.300 0.011 0.000 0.864 344 R HN 0.508 nan 8.270 nan 0.000 0.440 345 L N -1.844 119.320 121.223 -0.098 0.000 2.803 345 L HA 0.433 4.772 4.340 -0.000 0.000 0.246 345 L C 0.552 177.407 176.870 -0.025 0.000 1.100 345 L CA 0.042 54.834 54.840 -0.080 0.000 0.919 345 L CB 1.154 43.149 42.059 -0.106 0.000 1.285 345 L HN 0.359 nan 8.230 nan 0.000 0.522 346 G N 0.145 108.954 108.800 0.015 0.000 2.570 346 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 346 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 346 G C -0.044 174.942 174.900 0.143 0.000 1.257 346 G CA -0.339 44.787 45.100 0.043 0.000 0.846 346 G HN -0.274 nan 8.290 nan 0.000 0.627 347 V N 0.325 120.287 119.914 0.080 0.000 2.759 347 V HA -0.016 4.104 4.120 -0.000 0.000 0.256 347 V C 1.616 177.682 176.094 -0.048 0.000 1.080 347 V CA 2.196 64.535 62.300 0.065 0.000 1.101 347 V CB -0.322 31.516 31.823 0.026 0.000 0.698 347 V HN 0.611 nan 8.190 nan 0.000 0.477 348 N N 0.234 118.875 118.700 -0.099 0.000 2.376 348 N HA 0.066 4.806 4.740 -0.000 0.000 0.249 348 N C 1.215 176.445 175.510 -0.466 0.000 1.140 348 N CA 0.191 53.053 53.050 -0.312 0.000 0.870 348 N CB -0.239 38.074 38.487 -0.289 0.000 1.124 348 N HN 0.774 nan 8.380 nan 0.000 0.505 349 H N 0.083 119.047 119.070 -0.178 0.000 2.560 349 H HA -0.106 4.450 4.556 -0.000 0.000 0.283 349 H C 1.375 176.598 175.328 -0.175 0.000 1.028 349 H CA 0.783 56.722 56.048 -0.182 0.000 1.221 349 H CB -0.445 29.225 29.762 -0.153 0.000 1.363 349 H HN 0.518 nan 8.280 nan 0.000 0.594 350 H N 0.946 119.834 119.070 -0.303 0.000 2.456 350 H HA -0.082 4.474 4.556 -0.000 0.000 0.296 350 H C 1.221 176.484 175.328 -0.108 0.000 1.079 350 H CA 0.970 56.913 56.048 -0.175 0.000 1.322 350 H CB -0.270 29.427 29.762 -0.109 0.000 1.388 350 H HN 0.436 nan 8.280 nan 0.000 0.538 351 Q N 0.916 120.516 119.800 -0.334 0.000 2.369 351 Q HA 0.123 4.463 4.340 -0.000 0.000 0.206 351 Q C 0.666 176.598 176.000 -0.114 0.000 0.963 351 Q CA 0.175 55.878 55.803 -0.168 0.000 0.894 351 Q CB 0.243 28.827 28.738 -0.256 0.000 0.965 351 Q HN 0.480 nan 8.270 nan 0.000 0.475 352 I N 2.163 122.653 120.570 -0.133 0.000 2.598 352 I HA -0.046 4.123 4.170 -0.000 0.000 0.284 352 I C -1.582 174.452 176.117 -0.138 0.000 1.140 352 I CA -1.537 59.684 61.300 -0.130 0.000 1.420 352 I CB 0.661 38.565 38.000 -0.161 0.000 1.387 352 I HN -0.094 nan 8.210 nan 0.000 0.553 353 P HA -0.267 nan 4.420 nan 0.000 0.219 353 P C 1.725 178.913 177.300 -0.187 0.000 1.161 353 P CA 1.198 64.207 63.100 -0.151 0.000 0.909 353 P CB 0.176 31.793 31.700 -0.138 0.000 0.793 354 V N -0.593 119.188 119.914 -0.222 0.000 2.626 354 V HA -0.160 3.960 4.120 -0.000 0.000 0.252 354 V C 1.417 177.389 176.094 -0.203 0.000 1.067 354 V CA 1.963 64.100 62.300 -0.272 0.000 1.081 354 V CB -0.903 30.605 31.823 -0.525 0.000 0.686 354 V HN 0.130 nan 8.190 nan 0.000 0.468 355 N N 0.258 118.826 118.700 -0.220 0.000 2.280 355 N HA 0.232 4.972 4.740 -0.000 0.000 0.192 355 N C 0.436 175.876 175.510 -0.116 0.000 1.109 355 N CA 0.695 53.626 53.050 -0.199 0.000 0.855 355 N CB 0.322 38.688 38.487 -0.202 0.000 0.974 355 N HN 0.501 nan 8.380 nan 0.000 0.482 356 A N 2.503 125.253 122.820 -0.116 0.000 2.340 356 A HA 0.443 4.763 4.320 -0.000 0.000 0.268 356 A C -2.002 175.483 177.584 -0.164 0.000 1.100 356 A CA -1.001 50.939 52.037 -0.163 0.000 0.803 356 A CB 0.334 19.244 19.000 -0.149 0.000 1.043 356 A HN -0.018 nan 8.150 nan 0.000 0.488 357 P HA 0.298 nan 4.420 nan 0.000 0.279 357 P C -0.749 176.457 177.300 -0.158 0.000 1.276 357 P CA -0.468 62.499 63.100 -0.222 0.000 0.801 357 P CB 0.956 32.393 31.700 -0.438 0.000 1.127 358 K N -0.443 119.924 120.400 -0.056 0.000 2.168 358 K HA 0.512 4.832 4.320 -0.000 0.000 0.239 358 K C -0.566 176.041 176.600 0.013 0.000 0.999 358 K CA -0.316 55.947 56.287 -0.039 0.000 0.900 358 K CB 0.710 33.205 32.500 -0.008 0.000 1.111 358 K HN 0.691 nan 8.250 nan 0.000 0.452 359 C N 0.095 119.415 119.300 0.035 0.000 0.168 359 C HA -0.148 4.312 4.460 -0.000 0.000 0.017 359 C C -2.346 172.716 174.990 0.121 0.000 0.171 359 C CA -0.561 58.496 59.018 0.065 0.000 0.499 359 C CB -1.872 25.902 27.740 0.057 0.000 3.212 359 C HN 0.932 nan 8.230 nan 0.000 1.118 360 P HA 0.096 nan 4.420 nan 0.000 0.075 360 P C -0.901 176.529 177.300 0.216 0.000 0.607 360 P CA 1.311 64.478 63.100 0.112 0.000 1.085 360 P CB -0.567 31.174 31.700 0.068 0.000 1.717 361 F N 3.023 122.995 119.950 0.037 0.000 2.653 361 F HA 0.405 4.931 4.527 -0.000 0.000 0.327 361 F C -1.232 174.631 175.800 0.106 0.000 1.195 361 F CA -1.240 56.788 58.000 0.047 0.000 0.993 361 F CB 1.300 40.310 39.000 0.017 0.000 1.259 361 F HN 0.128 nan 8.300 nan 0.000 0.478 362 H N 5.203 123.975 119.070 -0.497 0.000 2.675 362 H HA 0.342 4.898 4.556 -0.000 0.000 0.258 362 H C -0.956 174.125 175.328 -0.412 0.000 1.271 362 H CA -0.407 55.399 56.048 -0.404 0.000 1.462 362 H CB 0.472 30.160 29.762 -0.123 0.000 1.467 362 H HN 0.731 nan 8.280 nan 0.000 0.501 363 N N 3.552 121.750 118.700 -0.836 0.000 2.431 363 N HA -0.073 4.667 4.740 -0.000 0.000 0.265 363 N C 0.437 175.637 175.510 -0.517 0.000 1.184 363 N CA -0.059 52.586 53.050 -0.674 0.000 0.943 363 N CB 0.530 38.613 38.487 -0.672 0.000 1.080 363 N HN 0.671 nan 8.380 nan 0.000 0.477 364 Y N 4.779 124.620 120.300 -0.765 0.000 2.516 364 Y HA -0.005 4.545 4.550 -0.000 0.000 0.291 364 Y C 0.333 175.804 175.900 -0.716 0.000 1.131 364 Y CA 0.545 58.042 58.100 -1.005 0.000 1.281 364 Y CB -0.036 37.739 38.460 -1.142 0.000 1.013 364 Y HN 0.586 nan 8.280 nan 0.000 0.554 365 H N 1.530 120.424 119.070 -0.292 0.000 2.764 365 H HA 0.154 4.710 4.556 -0.000 0.000 0.341 365 H C 0.748 175.912 175.328 -0.273 0.000 1.072 365 H CA 0.078 55.981 56.048 -0.242 0.000 1.444 365 H CB 0.937 30.662 29.762 -0.063 0.000 1.458 365 H HN 0.322 nan 8.280 nan 0.000 0.572 366 R N 1.099 121.516 120.500 -0.139 0.000 1.583 366 R HA 0.004 4.344 4.340 -0.000 0.000 0.123 366 R C -0.290 175.989 176.300 -0.035 0.000 1.213 366 R CA 0.037 56.063 56.100 -0.124 0.000 1.768 366 R CB -0.044 30.170 30.300 -0.144 0.000 0.787 366 R HN 0.633 nan 8.270 nan 0.000 0.619 367 D N 1.309 121.696 120.400 -0.021 0.000 2.453 367 D HA 0.197 4.837 4.640 -0.000 0.000 0.223 367 D C 0.270 176.574 176.300 0.007 0.000 1.183 367 D CA 0.116 54.113 54.000 -0.005 0.000 0.933 367 D CB 0.762 41.558 40.800 -0.007 0.000 1.038 367 D HN 0.407 nan 8.370 nan 0.000 0.513 368 G N 0.656 109.467 108.800 0.018 0.000 2.485 368 G HA2 0.340 4.299 3.960 -0.000 0.000 0.260 368 G HA3 0.340 4.299 3.960 -0.000 0.000 0.260 368 G C 0.920 175.821 174.900 0.000 0.000 1.459 368 G CA 0.175 45.283 45.100 0.013 0.000 1.060 368 G HN 0.399 nan 8.290 nan 0.000 0.546 369 A N -1.411 121.404 122.820 -0.008 0.000 1.924 369 A HA 0.378 4.698 4.320 -0.000 0.000 0.211 369 A C 1.364 178.937 177.584 -0.017 0.000 1.198 369 A CA 1.246 53.276 52.037 -0.011 0.000 0.657 369 A CB -0.059 18.934 19.000 -0.013 0.000 0.852 369 A HN 0.541 nan 8.150 nan 0.000 0.454 370 M N 0.548 120.132 119.600 -0.028 0.000 2.182 370 M HA 0.482 4.962 4.480 -0.000 0.000 0.285 370 M C -0.576 175.706 176.300 -0.031 0.000 0.956 370 M CA -0.555 54.729 55.300 -0.027 0.000 0.878 370 M CB 0.529 33.110 32.600 -0.031 0.000 1.373 370 M HN 0.047 nan 8.290 nan 0.000 0.393 371 R N 2.700 123.191 120.500 -0.015 0.000 2.408 371 R HA 0.393 4.733 4.340 -0.000 0.000 0.308 371 R C -0.294 176.007 176.300 0.001 0.000 1.210 371 R CA -0.009 56.088 56.100 -0.004 0.000 1.115 371 R CB -0.140 30.165 30.300 0.009 0.000 1.127 371 R HN 0.618 nan 8.270 nan 0.000 0.523 372 V N 2.475 122.386 119.914 -0.005 0.000 3.174 372 V HA -0.050 4.070 4.120 -0.000 0.000 0.254 372 V C 0.901 177.005 176.094 0.017 0.000 1.120 372 V CA 1.463 63.764 62.300 0.002 0.000 1.114 372 V CB 0.045 31.862 31.823 -0.011 0.000 0.756 372 V HN 0.778 nan 8.190 nan 0.000 0.467 373 D N -0.312 120.110 120.400 0.037 0.000 2.340 373 D HA 0.210 4.849 4.640 -0.000 0.000 0.220 373 D C 1.495 177.822 176.300 0.044 0.000 1.039 373 D CA 1.025 55.059 54.000 0.057 0.000 0.866 373 D CB 0.529 41.399 40.800 0.117 0.000 0.913 373 D HN 0.372 nan 8.370 nan 0.000 0.523 374 G N -0.188 108.630 108.800 0.029 0.000 2.284 374 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.201 374 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.201 374 G C 0.340 175.245 174.900 0.009 0.000 0.998 374 G CA -0.023 45.088 45.100 0.017 0.000 0.651 374 G HN 0.566 nan 8.290 nan 0.000 0.489 375 N N -0.907 117.801 118.700 0.014 0.000 6.901 375 N HA -0.209 4.531 4.740 -0.000 0.000 0.422 375 N C 1.470 176.958 175.510 -0.037 0.000 0.947 375 N CA 2.071 55.120 53.050 -0.003 0.000 1.386 375 N CB -1.180 37.301 38.487 -0.009 0.000 0.815 375 N HN 1.188 nan 8.380 nan 0.000 0.301 376 S N -0.631 115.020 115.700 -0.081 0.000 2.453 376 S HA 0.368 4.838 4.470 -0.000 0.000 0.231 376 S C 1.030 175.613 174.600 -0.030 0.000 1.005 376 S CA 1.559 59.682 58.200 -0.129 0.000 0.949 376 S CB -0.021 63.009 63.200 -0.283 0.000 0.774 376 S HN 1.372 nan 8.310 nan 0.000 0.510 377 G N -0.036 108.757 108.800 -0.013 0.000 2.340 377 G HA2 0.358 4.318 3.960 -0.000 0.000 0.298 377 G HA3 0.358 4.318 3.960 -0.000 0.000 0.298 377 G C -0.874 174.031 174.900 0.008 0.000 1.498 377 G CA -0.656 44.454 45.100 0.017 0.000 0.847 377 G HN 0.009 nan 8.290 nan 0.000 0.594 378 N N -0.577 118.127 118.700 0.007 0.000 2.184 378 N HA 0.188 4.928 4.740 -0.000 0.000 0.206 378 N C 1.365 176.887 175.510 0.019 0.000 1.151 378 N CA 0.917 53.973 53.050 0.010 0.000 0.878 378 N CB 1.638 40.127 38.487 0.004 0.000 1.014 378 N HN 0.712 nan 8.380 nan 0.000 0.512 379 G N 0.478 109.289 108.800 0.018 0.000 2.446 379 G HA2 0.353 4.313 3.960 -0.000 0.000 0.202 379 G HA3 0.353 4.313 3.960 -0.000 0.000 0.202 379 G C -0.015 174.923 174.900 0.063 0.000 1.842 379 G CA -0.188 44.930 45.100 0.030 0.000 0.703 379 G HN 0.047 nan 8.290 nan 0.000 0.731 380 I N 2.662 123.232 120.570 -0.000 0.000 2.325 380 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 380 I C 0.584 176.726 176.117 0.042 0.000 1.019 380 I CA -0.038 61.211 61.300 -0.085 0.000 1.302 380 I CB 1.717 39.535 38.000 -0.303 0.000 1.401 380 I HN 0.347 nan 8.210 nan 0.000 0.485 381 T N 1.664 116.303 114.554 0.143 0.000 3.182 381 T HA 0.236 4.586 4.350 -0.000 0.000 0.277 381 T C -0.191 174.653 174.700 0.239 0.000 1.013 381 T CA -0.315 61.888 62.100 0.172 0.000 0.900 381 T CB -0.415 68.480 68.868 0.045 0.000 1.098 381 T HN 0.526 nan 8.240 nan 0.000 0.543 382 Y N -1.408 119.070 120.300 0.296 0.000 2.665 382 Y HA 0.901 5.451 4.550 -0.000 0.000 0.336 382 Y C -0.735 175.353 175.900 0.313 0.000 1.085 382 Y CA -1.694 56.569 58.100 0.271 0.000 1.096 382 Y CB 1.343 39.894 38.460 0.152 0.000 1.301 382 Y HN -0.036 nan 8.280 nan 0.000 0.493 383 E N 2.029 122.412 120.200 0.304 0.000 2.388 383 E HA 0.294 4.644 4.350 -0.000 0.000 0.289 383 E C -3.044 173.666 176.600 0.184 0.000 0.944 383 E CA -1.630 54.883 56.400 0.188 0.000 0.792 383 E CB 2.151 31.943 29.700 0.154 0.000 1.239 383 E HN 0.811 nan 8.360 nan 0.000 0.412 384 P HA 0.321 nan 4.420 nan 0.000 0.271 384 P C -0.936 176.480 177.300 0.193 0.000 1.218 384 P CA -0.192 62.992 63.100 0.141 0.000 0.780 384 P CB 0.671 32.434 31.700 0.106 0.000 0.901 385 N N -1.446 117.310 118.700 0.093 0.000 2.494 385 N HA 0.258 4.998 4.740 -0.000 0.000 0.270 385 N C -0.072 175.461 175.510 0.038 0.000 1.285 385 N CA -0.957 52.133 53.050 0.068 0.000 0.812 385 N CB 0.896 39.215 38.487 -0.280 0.000 1.557 385 N HN 0.043 nan 8.380 nan 0.000 0.487 386 S N -0.838 114.896 115.700 0.056 0.000 2.603 386 S HA 0.129 4.599 4.470 -0.000 0.000 0.220 386 S C 1.413 176.007 174.600 -0.011 0.000 0.967 386 S CA 0.257 58.472 58.200 0.026 0.000 0.920 386 S CB -0.210 63.013 63.200 0.039 0.000 0.773 386 S HN 0.803 nan 8.310 nan 0.000 0.529 387 G N 0.840 109.612 108.800 -0.047 0.000 3.088 387 G HA2 0.416 4.376 3.960 -0.000 0.000 0.217 387 G HA3 0.416 4.376 3.960 -0.000 0.000 0.217 387 G C 0.838 175.680 174.900 -0.097 0.000 1.159 387 G CA -0.036 45.022 45.100 -0.071 0.000 0.760 387 G HN 0.686 nan 8.290 nan 0.000 0.550 388 G N -0.451 108.295 108.800 -0.090 0.000 2.351 388 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.297 388 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.297 388 G C 0.656 175.464 174.900 -0.153 0.000 1.054 388 G CA 0.376 45.421 45.100 -0.092 0.000 1.123 388 G HN 0.822 nan 8.290 nan 0.000 0.512 389 V N -0.786 118.994 119.914 -0.223 0.000 3.523 389 V HA 0.553 4.673 4.120 -0.000 0.000 0.255 389 V C 0.461 176.264 176.094 -0.485 0.000 1.226 389 V CA 0.795 62.849 62.300 -0.409 0.000 1.092 389 V CB 0.105 31.600 31.823 -0.546 0.000 0.817 389 V HN 0.442 nan 8.190 nan 0.000 0.458 390 F N 1.306 121.292 119.950 0.060 0.000 2.622 390 F HA 0.542 5.069 4.527 -0.000 0.000 0.338 390 F C -0.030 175.784 175.800 0.022 0.000 1.334 390 F CA -1.163 56.882 58.000 0.075 0.000 1.179 390 F CB 0.805 39.821 39.000 0.026 0.000 1.471 390 F HN -0.006 nan 8.300 nan 0.000 0.576 391 Q N 2.473 122.355 119.800 0.137 0.000 2.296 391 Q HA 0.084 4.424 4.340 -0.000 0.000 0.263 391 Q C 0.577 176.633 176.000 0.093 0.000 1.026 391 Q CA -0.089 55.763 55.803 0.082 0.000 0.912 391 Q CB 0.816 29.576 28.738 0.037 0.000 1.198 391 Q HN 0.714 nan 8.270 nan 0.000 0.407 392 E N 1.990 122.235 120.200 0.075 0.000 2.422 392 E HA -0.038 4.312 4.350 -0.000 0.000 0.260 392 E C -0.734 175.919 176.600 0.088 0.000 1.108 392 E CA 0.029 56.470 56.400 0.068 0.000 0.943 392 E CB 0.577 30.305 29.700 0.047 0.000 0.961 392 E HN 0.395 nan 8.360 nan 0.000 0.443 393 Q N 2.169 122.041 119.800 0.121 0.000 2.721 393 Q HA 0.179 4.519 4.340 -0.000 0.000 0.257 393 Q C -1.989 174.145 176.000 0.223 0.000 1.070 393 Q CA -1.751 54.169 55.803 0.196 0.000 0.910 393 Q CB 1.333 30.248 28.738 0.296 0.000 1.163 393 Q HN 0.531 nan 8.270 nan 0.000 0.501 394 P HA -0.118 nan 4.420 nan 0.000 0.226 394 P C 0.198 177.516 177.300 0.030 0.000 1.153 394 P CA 0.827 63.972 63.100 0.075 0.000 0.777 394 P CB 0.374 32.097 31.700 0.038 0.000 0.794 395 D N -1.573 118.802 120.400 -0.042 0.000 2.378 395 D HA -0.065 4.575 4.640 -0.000 0.000 0.222 395 D C 0.755 176.835 176.300 -0.366 0.000 0.980 395 D CA 0.893 54.755 54.000 -0.230 0.000 0.907 395 D CB -0.446 40.145 40.800 -0.349 0.000 0.899 395 D HN 0.280 nan 8.370 nan 0.000 0.527 396 F N 0.300 120.250 119.950 -0.002 0.000 2.678 396 F HA 0.188 4.714 4.527 -0.000 0.000 0.305 396 F C 1.218 177.015 175.800 -0.004 0.000 1.090 396 F CA -0.540 57.458 58.000 -0.005 0.000 1.272 396 F CB 0.203 39.202 39.000 -0.003 0.000 1.060 396 F HN -0.343 nan 8.300 nan 0.000 0.576 397 K N 2.444 122.929 120.400 0.143 0.000 2.397 397 K HA 0.025 4.345 4.320 -0.000 0.000 0.265 397 K C 0.235 176.872 176.600 0.062 0.000 0.982 397 K CA 0.158 56.499 56.287 0.090 0.000 0.931 397 K CB 0.497 33.030 32.500 0.055 0.000 0.943 397 K HN 0.376 nan 8.250 nan 0.000 0.501 398 E N 3.353 123.582 120.200 0.047 0.000 2.299 398 E HA 0.479 4.829 4.350 -0.000 0.000 0.265 398 E C -2.576 174.031 176.600 0.011 0.000 0.911 398 E CA -2.307 54.109 56.400 0.026 0.000 0.789 398 E CB 1.373 31.088 29.700 0.024 0.000 1.246 398 E HN 0.331 nan 8.360 nan 0.000 0.427 399 P HA 0.122 nan 4.420 nan 0.000 0.268 399 P C -2.308 174.984 177.300 -0.012 0.000 1.208 399 P CA -0.790 62.297 63.100 -0.022 0.000 0.777 399 P CB -0.362 31.307 31.700 -0.052 0.000 0.875 400 P HA 0.147 nan 4.420 nan 0.000 0.271 400 P C -0.641 176.662 177.300 0.004 0.000 1.238 400 P CA -0.021 63.081 63.100 0.005 0.000 0.794 400 P CB 0.203 31.905 31.700 0.003 0.000 0.959 401 L N 0.196 121.432 121.223 0.022 0.000 2.385 401 L HA 0.380 4.720 4.340 -0.000 0.000 0.273 401 L C -0.662 176.228 176.870 0.033 0.000 0.990 401 L CA -0.272 54.589 54.840 0.034 0.000 0.821 401 L CB 1.620 43.720 42.059 0.068 0.000 1.279 401 L HN 0.214 nan 8.230 nan 0.000 0.412 402 S N 5.813 121.534 115.700 0.034 0.000 2.488 402 S HA 0.468 4.938 4.470 -0.000 0.000 0.278 402 S C 0.004 174.620 174.600 0.027 0.000 1.259 402 S CA -0.420 57.796 58.200 0.027 0.000 1.061 402 S CB 0.118 63.333 63.200 0.025 0.000 0.910 402 S HN 0.359 nan 8.310 nan 0.000 0.491 403 I N 3.148 123.728 120.570 0.016 0.000 2.396 403 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 403 I C 0.647 176.761 176.117 -0.005 0.000 0.999 403 I CA -0.224 61.078 61.300 0.005 0.000 1.310 403 I CB 1.025 39.032 38.000 0.011 0.000 1.404 403 I HN 0.726 nan 8.210 nan 0.000 0.496 404 E N 4.307 124.488 120.200 -0.030 0.000 4.052 404 E HA 0.553 4.903 4.350 -0.000 0.000 0.219 404 E C 0.034 176.583 176.600 -0.085 0.000 1.166 404 E CA -0.429 55.945 56.400 -0.043 0.000 1.338 404 E CB 1.291 30.965 29.700 -0.044 0.000 1.212 404 E HN 0.891 nan 8.360 nan 0.000 0.432 405 G N 0.241 109.014 108.800 -0.045 0.000 2.321 405 G HA2 0.436 4.396 3.960 -0.000 0.000 0.298 405 G HA3 0.436 4.396 3.960 -0.000 0.000 0.298 405 G C -1.216 173.757 174.900 0.122 0.000 1.385 405 G CA -0.435 44.650 45.100 -0.025 0.000 0.856 405 G HN 0.257 nan 8.290 nan 0.000 0.584 406 A N -0.466 122.542 122.820 0.314 0.000 2.296 406 A HA 0.831 5.151 4.320 -0.000 0.000 0.264 406 A C 1.032 178.850 177.584 0.389 0.000 1.097 406 A CA 0.634 52.852 52.037 0.301 0.000 0.811 406 A CB 0.328 19.487 19.000 0.264 0.000 1.072 406 A HN 2.442 nan 8.150 nan 0.000 0.495 407 A N 0.925 123.867 122.820 0.204 0.000 2.444 407 A HA 0.525 4.845 4.320 -0.000 0.000 0.273 407 A C -0.152 177.473 177.584 0.069 0.000 1.136 407 A CA 0.232 52.358 52.037 0.148 0.000 0.799 407 A CB -0.339 18.691 19.000 0.049 0.000 1.081 407 A HN 0.878 nan 8.150 nan 0.000 0.509 408 D N -0.375 120.042 120.400 0.028 0.000 2.671 408 D HA 0.159 4.799 4.640 -0.000 0.000 0.273 408 D C -1.008 175.102 176.300 -0.317 0.000 1.264 408 D CA -0.501 53.304 54.000 -0.325 0.000 0.788 408 D CB 0.742 41.091 40.800 -0.751 0.000 1.324 408 D HN 0.502 nan 8.370 nan 0.000 0.424 409 H N 1.607 120.535 119.070 -0.237 0.000 3.205 409 H HA 0.111 4.666 4.556 -0.000 0.000 0.262 409 H C -0.456 174.792 175.328 -0.134 0.000 1.333 409 H CA 0.175 56.166 56.048 -0.094 0.000 1.499 409 H CB -0.313 29.405 29.762 -0.074 0.000 1.609 409 H HN 0.115 nan 8.280 nan 0.000 0.498 410 W N 2.669 124.039 121.300 0.118 0.000 2.345 410 W HA 0.026 4.686 4.660 0.000 0.000 0.308 410 W C 0.969 177.560 176.519 0.119 0.000 1.273 410 W CA -0.490 56.913 57.345 0.097 0.000 1.243 410 W CB 0.275 29.776 29.460 0.069 0.000 1.260 410 W HN 0.468 nan 8.180 nan 0.000 0.509 411 N N 2.817 121.680 118.700 0.271 0.000 2.438 411 N HA -0.104 4.636 4.740 -0.000 0.000 0.267 411 N C 1.126 176.750 175.510 0.191 0.000 1.222 411 N CA 0.267 53.421 53.050 0.173 0.000 0.930 411 N CB 0.391 38.922 38.487 0.075 0.000 1.083 411 N HN 0.540 nan 8.380 nan 0.000 0.476 412 H N 2.802 121.968 119.070 0.160 0.000 2.524 412 H HA 0.134 4.689 4.556 -0.000 0.000 0.282 412 H C 0.851 176.253 175.328 0.124 0.000 1.016 412 H CA 1.111 57.245 56.048 0.144 0.000 1.270 412 H CB 0.135 29.982 29.762 0.142 0.000 1.394 412 H HN 0.486 nan 8.280 nan 0.000 0.568 413 R N 0.729 121.023 120.500 -0.344 0.000 2.328 413 R HA 0.005 4.344 4.340 -0.000 0.000 0.200 413 R C 1.151 177.418 176.300 -0.055 0.000 0.983 413 R CA 0.406 56.385 56.100 -0.202 0.000 1.062 413 R CB 0.036 30.221 30.300 -0.192 0.000 0.956 413 R HN 0.614 nan 8.270 nan 0.000 0.479 414 E N 0.668 120.865 120.200 -0.006 0.000 2.106 414 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 414 E C 0.224 176.804 176.600 -0.034 0.000 0.984 414 E CA 0.647 57.051 56.400 0.006 0.000 0.806 414 E CB 0.107 29.840 29.700 0.055 0.000 0.750 414 E HN 0.167 nan 8.360 nan 0.000 0.458 415 D N 0.836 121.217 120.400 -0.032 0.000 2.317 415 D HA 0.017 4.657 4.640 -0.000 0.000 0.252 415 D C -0.321 175.799 176.300 -0.300 0.000 1.174 415 D CA 0.297 54.239 54.000 -0.097 0.000 0.866 415 D CB 0.875 41.661 40.800 -0.023 0.000 1.127 415 D HN -0.085 nan 8.370 nan 0.000 0.467 416 E N 2.126 122.070 120.200 -0.426 0.000 2.569 416 E HA 0.038 4.388 4.350 -0.000 0.000 0.205 416 E C -0.703 175.388 176.600 -0.847 0.000 1.006 416 E CA -0.221 55.667 56.400 -0.854 0.000 0.985 416 E CB 0.531 30.012 29.700 -0.364 0.000 1.060 416 E HN 0.299 nan 8.360 nan 0.000 0.460 417 D N -0.136 119.936 120.400 -0.547 0.000 2.494 417 D HA 0.028 4.667 4.640 -0.000 0.000 0.217 417 D C -0.186 175.904 176.300 -0.350 0.000 1.153 417 D CA -0.215 53.600 54.000 -0.309 0.000 0.954 417 D CB 0.071 40.807 40.800 -0.107 0.000 1.034 417 D HN 0.087 nan 8.370 nan 0.000 0.518 418 Y N 1.508 121.557 120.300 -0.418 0.000 2.478 418 Y HA 0.196 4.746 4.550 -0.000 0.000 0.261 418 Y C 0.903 176.515 175.900 -0.481 0.000 1.127 418 Y CA -0.140 57.623 58.100 -0.561 0.000 1.288 418 Y CB -0.041 37.868 38.460 -0.919 0.000 1.084 418 Y HN 0.292 nan 8.280 nan 0.000 0.530 419 F N -1.617 118.416 119.950 0.140 0.000 2.712 419 F HA 0.076 4.603 4.527 -0.000 0.000 0.297 419 F C 2.317 178.144 175.800 0.044 0.000 1.114 419 F CA 0.189 58.245 58.000 0.092 0.000 1.305 419 F CB -0.726 38.327 39.000 0.088 0.000 1.086 419 F HN -0.071 nan 8.300 nan 0.000 0.599 420 S N 0.442 116.253 115.700 0.185 0.000 2.353 420 S HA -0.261 4.209 4.470 -0.000 0.000 0.222 420 S C 1.797 176.422 174.600 0.040 0.000 1.035 420 S CA 1.474 59.737 58.200 0.106 0.000 1.025 420 S CB -0.797 62.447 63.200 0.074 0.000 0.902 420 S HN 0.483 nan 8.310 nan 0.000 0.440 421 Q N 1.293 121.067 119.800 -0.044 0.000 2.137 421 Q HA 0.076 4.416 4.340 -0.000 0.000 0.198 421 Q C -0.461 175.351 176.000 -0.313 0.000 0.960 421 Q CA 0.851 56.544 55.803 -0.183 0.000 0.847 421 Q CB -1.281 27.311 28.738 -0.243 0.000 0.915 421 Q HN 0.466 nan 8.270 nan 0.000 0.448 422 P HA -0.250 nan 4.420 nan 0.000 0.217 422 P C 1.147 178.521 177.300 0.123 0.000 1.162 422 P CA 1.531 64.623 63.100 -0.014 0.000 0.901 422 P CB -0.125 31.684 31.700 0.181 0.000 0.793 423 R N -0.330 120.255 120.500 0.142 0.000 2.083 423 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 423 R C 2.151 178.550 176.300 0.165 0.000 1.137 423 R CA 1.874 58.073 56.100 0.165 0.000 0.951 423 R CB -1.023 29.369 30.300 0.153 0.000 0.851 423 R HN 0.064 nan 8.270 nan 0.000 0.434 424 A N 0.819 123.696 122.820 0.095 0.000 1.978 424 A HA -0.168 4.151 4.320 -0.000 0.000 0.220 424 A C 2.017 179.647 177.584 0.077 0.000 1.170 424 A CA 1.403 53.484 52.037 0.074 0.000 0.636 424 A CB -0.514 18.502 19.000 0.027 0.000 0.810 424 A HN 0.424 nan 8.150 nan 0.000 0.448 425 L N -2.115 119.154 121.223 0.078 0.000 2.068 425 L HA -0.018 4.322 4.340 -0.000 0.000 0.204 425 L C 2.295 179.233 176.870 0.113 0.000 1.076 425 L CA 2.109 57.003 54.840 0.090 0.000 0.753 425 L CB -0.831 41.298 42.059 0.117 0.000 0.910 425 L HN 0.488 nan 8.230 nan 0.000 0.439 426 Y N 1.012 121.303 120.300 -0.015 0.000 2.139 426 Y HA -0.314 4.236 4.550 -0.000 0.000 0.282 426 Y C 2.227 178.151 175.900 0.040 0.000 1.179 426 Y CA 2.366 60.419 58.100 -0.079 0.000 1.161 426 Y CB -0.210 38.110 38.460 -0.234 0.000 0.970 426 Y HN 0.399 nan 8.280 nan 0.000 0.511 427 E N -0.105 120.232 120.200 0.228 0.000 2.478 427 E HA -0.091 4.259 4.350 -0.000 0.000 0.198 427 E C 1.841 178.461 176.600 0.034 0.000 1.046 427 E CA 0.803 57.292 56.400 0.148 0.000 0.870 427 E CB -0.110 29.703 29.700 0.188 0.000 0.818 427 E HN 0.579 nan 8.360 nan 0.000 0.527 428 L N 0.185 121.408 121.223 -0.001 0.000 2.375 428 L HA 0.053 4.393 4.340 -0.000 0.000 0.215 428 L C 0.589 177.390 176.870 -0.115 0.000 1.108 428 L CA -0.093 54.724 54.840 -0.040 0.000 0.830 428 L CB -0.072 41.974 42.059 -0.023 0.000 0.959 428 L HN 0.059 nan 8.230 nan 0.000 0.457 429 L N 0.772 121.887 121.223 -0.181 0.000 2.397 429 L HA 0.137 4.477 4.340 -0.000 0.000 0.271 429 L C 1.008 177.533 176.870 -0.574 0.000 1.148 429 L CA 0.114 54.757 54.840 -0.328 0.000 0.825 429 L CB 1.157 43.022 42.059 -0.323 0.000 1.117 429 L HN 0.132 nan 8.230 nan 0.000 0.456 430 S N 1.126 116.539 115.700 -0.479 0.000 2.587 430 S HA 0.022 4.492 4.470 -0.000 0.000 0.260 430 S C 0.813 175.002 174.600 -0.686 0.000 1.353 430 S CA -0.342 57.590 58.200 -0.447 0.000 0.995 430 S CB 0.377 63.410 63.200 -0.278 0.000 0.912 430 S HN 0.649 nan 8.310 nan 0.000 0.568 431 D N 0.809 120.969 120.400 -0.400 0.000 2.219 431 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 431 D C 1.061 177.223 176.300 -0.230 0.000 0.970 431 D CA 1.447 55.281 54.000 -0.277 0.000 0.851 431 D CB -0.257 40.492 40.800 -0.086 0.000 0.943 431 D HN 0.662 nan 8.370 nan 0.000 0.488 432 D N 0.738 121.000 120.400 -0.231 0.000 2.103 432 D HA -0.115 4.524 4.640 -0.000 0.000 0.199 432 D C 1.899 178.068 176.300 -0.219 0.000 0.978 432 D CA 0.682 54.579 54.000 -0.172 0.000 0.829 432 D CB -0.070 40.648 40.800 -0.137 0.000 0.981 432 D HN 0.174 nan 8.370 nan 0.000 0.464 433 E N -0.366 119.660 120.200 -0.290 0.000 2.110 433 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 433 E C 1.701 178.088 176.600 -0.356 0.000 0.988 433 E CA 0.916 57.146 56.400 -0.282 0.000 0.804 433 E CB 0.052 29.580 29.700 -0.286 0.000 0.745 433 E HN 0.518 nan 8.360 nan 0.000 0.458 434 H N -0.925 117.845 119.070 -0.501 0.000 2.353 434 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 434 H C 2.142 176.717 175.328 -1.255 0.000 1.090 434 H CA 1.041 56.566 56.048 -0.872 0.000 1.327 434 H CB 0.190 29.526 29.762 -0.709 0.000 1.383 434 H HN 0.060 nan 8.280 nan 0.000 0.508 435 Q N 0.566 120.093 119.800 -0.455 0.000 2.167 435 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 435 Q C 2.140 178.019 176.000 -0.201 0.000 0.970 435 Q CA 1.064 56.744 55.803 -0.204 0.000 0.855 435 Q CB 0.089 28.822 28.738 -0.008 0.000 0.911 435 Q HN 0.367 nan 8.270 nan 0.000 0.438 436 R N -0.818 119.547 120.500 -0.225 0.000 2.062 436 R HA -0.066 4.273 4.340 -0.000 0.000 0.231 436 R C 2.340 178.558 176.300 -0.137 0.000 1.136 436 R CA 1.617 57.634 56.100 -0.138 0.000 0.948 436 R CB -0.360 29.869 30.300 -0.119 0.000 0.845 436 R HN 0.316 nan 8.270 nan 0.000 0.430 437 M N 0.079 119.531 119.600 -0.246 0.000 2.088 437 M HA -0.239 4.241 4.480 -0.000 0.000 0.256 437 M C 2.053 178.321 176.300 -0.055 0.000 1.071 437 M CA 1.896 57.093 55.300 -0.172 0.000 1.097 437 M CB -0.491 31.947 32.600 -0.270 0.000 1.315 437 M HN 0.051 nan 8.290 nan 0.000 0.406 438 F N 0.235 120.196 119.950 0.018 0.000 2.126 438 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 438 F C 2.716 178.501 175.800 -0.025 0.000 1.096 438 F CA 1.193 59.183 58.000 -0.018 0.000 1.255 438 F CB -1.758 37.237 39.000 -0.009 0.000 0.997 438 F HN 0.145 nan 8.300 nan 0.000 0.479 439 A N 0.289 123.198 122.820 0.148 0.000 1.902 439 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 439 A C 2.414 180.036 177.584 0.063 0.000 1.181 439 A CA 1.469 53.557 52.037 0.085 0.000 0.623 439 A CB -0.627 18.404 19.000 0.052 0.000 0.818 439 A HN 0.301 nan 8.150 nan 0.000 0.443 440 R N -0.560 119.976 120.500 0.060 0.000 2.075 440 R HA -0.015 4.324 4.340 -0.000 0.000 0.232 440 R C 2.026 178.386 176.300 0.101 0.000 1.126 440 R CA 1.533 57.680 56.100 0.078 0.000 0.963 440 R CB -0.488 29.858 30.300 0.076 0.000 0.858 440 R HN 0.582 nan 8.270 nan 0.000 0.435 441 I N 0.643 121.268 120.570 0.093 0.000 2.202 441 I HA -0.219 3.950 4.170 -0.000 0.000 0.242 441 I C 2.673 178.754 176.117 -0.060 0.000 1.091 441 I CA 1.140 62.469 61.300 0.049 0.000 1.368 441 I CB -0.525 37.457 38.000 -0.030 0.000 1.058 441 I HN 0.148 nan 8.210 nan 0.000 0.410 442 A N 1.268 124.069 122.820 -0.032 0.000 1.908 442 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 442 A C 2.454 180.013 177.584 -0.043 0.000 1.181 442 A CA 2.038 54.041 52.037 -0.057 0.000 0.627 442 A CB -1.540 17.451 19.000 -0.014 0.000 0.818 442 A HN 0.474 nan 8.150 nan 0.000 0.445 443 G N -0.722 108.080 108.800 0.005 0.000 2.450 443 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 443 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 443 G C 1.450 176.370 174.900 0.033 0.000 1.130 443 G CA 1.153 46.268 45.100 0.024 0.000 0.760 443 G HN 0.700 nan 8.290 nan 0.000 0.557 444 E N -0.707 119.519 120.200 0.045 0.000 2.079 444 E HA 0.092 4.442 4.350 -0.000 0.000 0.191 444 E C 2.285 178.831 176.600 -0.090 0.000 0.961 444 E CA 0.074 56.533 56.400 0.099 0.000 0.823 444 E CB -0.176 29.738 29.700 0.356 0.000 0.789 444 E HN 0.272 nan 8.360 nan 0.000 0.459 445 L N 1.770 122.766 121.223 -0.377 0.000 2.201 445 L HA -0.115 4.224 4.340 -0.000 0.000 0.212 445 L C 2.173 178.919 176.870 -0.208 0.000 1.105 445 L CA 1.584 56.111 54.840 -0.523 0.000 0.775 445 L CB -0.461 41.177 42.059 -0.702 0.000 0.913 445 L HN 0.041 nan 8.230 nan 0.000 0.440 446 S N -1.592 114.034 115.700 -0.124 0.000 2.419 446 S HA -0.272 4.197 4.470 -0.000 0.000 0.235 446 S C 1.793 176.373 174.600 -0.034 0.000 1.019 446 S CA 1.297 59.459 58.200 -0.064 0.000 0.982 446 S CB -0.606 62.569 63.200 -0.041 0.000 0.789 446 S HN 0.665 nan 8.310 nan 0.000 0.490 447 Q N 0.965 120.751 119.800 -0.023 0.000 2.378 447 Q HA 0.333 4.673 4.340 -0.000 0.000 0.205 447 Q C 1.159 177.168 176.000 0.015 0.000 0.954 447 Q CA 0.554 56.358 55.803 0.002 0.000 0.901 447 Q CB -0.201 28.550 28.738 0.022 0.000 0.981 447 Q HN 0.735 nan 8.270 nan 0.000 0.483 448 A N 0.809 123.641 122.820 0.021 0.000 2.310 448 A HA 0.259 4.579 4.320 -0.000 0.000 0.260 448 A C 0.250 177.863 177.584 0.048 0.000 1.112 448 A CA -0.331 51.745 52.037 0.066 0.000 0.804 448 A CB 0.376 19.439 19.000 0.105 0.000 1.081 448 A HN 0.187 nan 8.150 nan 0.000 0.499 449 S N -0.980 114.764 115.700 0.072 0.000 2.566 449 S HA 0.014 4.484 4.470 -0.000 0.000 0.280 449 S C 1.201 175.824 174.600 0.038 0.000 1.343 449 S CA 0.329 58.563 58.200 0.057 0.000 1.036 449 S CB 0.360 63.608 63.200 0.080 0.000 0.866 449 S HN 0.648 nan 8.310 nan 0.000 0.526 450 K N 1.690 122.104 120.400 0.023 0.000 2.097 450 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 450 K C 2.112 178.719 176.600 0.013 0.000 1.049 450 K CA 1.742 58.035 56.287 0.011 0.000 0.933 450 K CB -0.182 32.322 32.500 0.006 0.000 0.717 450 K HN 0.844 nan 8.250 nan 0.000 0.442 451 E N -0.336 119.878 120.200 0.023 0.000 2.077 451 E HA -0.157 4.192 4.350 -0.000 0.000 0.193 451 E C 1.507 178.120 176.600 0.021 0.000 0.989 451 E CA 1.584 57.995 56.400 0.018 0.000 0.800 451 E CB 0.126 29.842 29.700 0.027 0.000 0.746 451 E HN 0.214 nan 8.360 nan 0.000 0.452 452 T N 0.970 115.555 114.554 0.052 0.000 2.746 452 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 452 T C 1.828 176.560 174.700 0.054 0.000 1.039 452 T CA 1.398 63.546 62.100 0.080 0.000 1.142 452 T CB -0.187 68.772 68.868 0.152 0.000 0.866 452 T HN 0.269 nan 8.240 nan 0.000 0.444 453 Q N 0.392 120.207 119.800 0.024 0.000 2.096 453 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 453 Q C 2.540 178.536 176.000 -0.007 0.000 0.982 453 Q CA 1.388 57.185 55.803 -0.011 0.000 0.850 453 Q CB -0.187 28.536 28.738 -0.026 0.000 0.901 453 Q HN 0.356 nan 8.270 nan 0.000 0.422 454 Q N 0.878 120.674 119.800 -0.007 0.000 2.016 454 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 454 Q C 1.908 177.894 176.000 -0.022 0.000 0.978 454 Q CA 1.584 57.378 55.803 -0.015 0.000 0.833 454 Q CB -0.114 28.614 28.738 -0.016 0.000 0.895 454 Q HN 0.174 nan 8.270 nan 0.000 0.427 455 R N -0.570 119.912 120.500 -0.030 0.000 2.091 455 R HA -0.222 4.118 4.340 -0.000 0.000 0.238 455 R C 2.198 178.461 176.300 -0.062 0.000 1.136 455 R CA 1.830 57.895 56.100 -0.058 0.000 0.959 455 R CB -0.118 30.127 30.300 -0.092 0.000 0.856 455 R HN 0.248 nan 8.270 nan 0.000 0.437 456 Q N 0.693 120.473 119.800 -0.034 0.000 2.046 456 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 456 Q C 1.930 177.887 176.000 -0.072 0.000 0.975 456 Q CA 1.674 57.429 55.803 -0.079 0.000 0.836 456 Q CB -0.182 28.572 28.738 0.026 0.000 0.896 456 Q HN 0.433 nan 8.270 nan 0.000 0.428 457 I N 0.604 121.203 120.570 0.049 0.000 2.264 457 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 457 I C 1.454 177.582 176.117 0.019 0.000 1.111 457 I CA 1.375 62.736 61.300 0.102 0.000 1.382 457 I CB -0.273 37.745 38.000 0.031 0.000 1.060 457 I HN 0.235 nan 8.210 nan 0.000 0.418 458 D N 0.510 120.890 120.400 -0.034 0.000 2.117 458 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 458 D C 2.080 178.323 176.300 -0.095 0.000 0.987 458 D CA 1.165 55.128 54.000 -0.062 0.000 0.829 458 D CB -0.238 40.528 40.800 -0.058 0.000 0.961 458 D HN 0.100 nan 8.370 nan 0.000 0.460 459 L N -0.208 120.948 121.223 -0.111 0.000 2.012 459 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 459 L C 2.166 178.937 176.870 -0.165 0.000 1.073 459 L CA 1.317 56.084 54.840 -0.122 0.000 0.748 459 L CB -0.779 41.164 42.059 -0.194 0.000 0.891 459 L HN 0.013 nan 8.230 nan 0.000 0.431 460 F N -0.503 119.336 119.950 -0.186 0.000 2.171 460 F HA -0.184 4.342 4.527 -0.000 0.000 0.300 460 F C 2.517 178.131 175.800 -0.310 0.000 1.090 460 F CA 1.472 59.235 58.000 -0.395 0.000 1.293 460 F CB -1.449 37.234 39.000 -0.529 0.000 1.013 460 F HN 0.048 nan 8.300 nan 0.000 0.486 461 T N -0.023 114.516 114.554 -0.026 0.000 2.684 461 T HA -0.219 4.130 4.350 -0.000 0.000 0.267 461 T C 1.901 176.511 174.700 -0.151 0.000 1.036 461 T CA 1.501 63.557 62.100 -0.074 0.000 1.148 461 T CB -0.288 68.531 68.868 -0.083 0.000 0.863 461 T HN 0.226 nan 8.240 nan 0.000 0.436 462 K N 0.665 120.889 120.400 -0.293 0.000 2.362 462 K HA 0.036 4.356 4.320 -0.000 0.000 0.200 462 K C 2.125 178.431 176.600 -0.491 0.000 1.046 462 K CA 0.455 56.422 56.287 -0.534 0.000 0.952 462 K CB -0.171 31.683 32.500 -1.076 0.000 0.753 462 K HN 0.196 nan 8.250 nan 0.000 0.466 463 V N -0.257 119.535 119.914 -0.204 0.000 2.488 463 V HA -0.130 3.989 4.120 -0.000 0.000 0.246 463 V C 0.304 176.435 176.094 0.061 0.000 1.046 463 V CA 1.191 63.527 62.300 0.059 0.000 1.053 463 V CB -0.430 31.562 31.823 0.282 0.000 0.679 463 V HN 0.405 nan 8.190 nan 0.000 0.458 464 H N -1.621 117.376 119.070 -0.123 0.000 3.069 464 H HA 0.156 4.712 4.556 -0.000 0.000 0.294 464 H C -2.437 172.805 175.328 -0.143 0.000 1.144 464 H CA -0.789 55.156 56.048 -0.171 0.000 1.579 464 H CB 1.897 31.444 29.762 -0.359 0.000 2.174 464 H HN -0.189 nan 8.280 nan 0.000 0.456 465 P HA -0.213 nan 4.420 nan 0.000 0.218 465 P C 1.155 178.501 177.300 0.076 0.000 1.148 465 P CA 1.374 64.472 63.100 -0.003 0.000 0.822 465 P CB 0.385 32.047 31.700 -0.064 0.000 0.784 466 E N -1.552 118.812 120.200 0.273 0.000 2.204 466 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 466 E C 1.866 178.503 176.600 0.060 0.000 0.989 466 E CA 0.493 56.993 56.400 0.167 0.000 0.824 466 E CB -0.308 29.559 29.700 0.277 0.000 0.756 466 E HN 0.097 nan 8.360 nan 0.000 0.477 467 Y N 0.508 120.703 120.300 -0.175 0.000 2.163 467 Y HA -0.003 4.546 4.550 -0.000 0.000 0.288 467 Y C 2.216 177.991 175.900 -0.208 0.000 1.136 467 Y CA 1.643 59.642 58.100 -0.169 0.000 1.147 467 Y CB -0.850 37.376 38.460 -0.390 0.000 0.987 467 Y HN 0.071 nan 8.280 nan 0.000 0.509 468 G N -0.399 108.386 108.800 -0.026 0.000 2.432 468 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 468 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 468 G C 1.857 176.657 174.900 -0.166 0.000 1.135 468 G CA 1.047 46.093 45.100 -0.090 0.000 0.767 468 G HN 0.561 nan 8.290 nan 0.000 0.550 469 A N 1.135 123.847 122.820 -0.180 0.000 1.845 469 A HA 0.169 4.489 4.320 -0.000 0.000 0.215 469 A C 2.774 180.111 177.584 -0.412 0.000 1.195 469 A CA 2.140 54.045 52.037 -0.220 0.000 0.616 469 A CB -1.335 17.572 19.000 -0.156 0.000 0.832 469 A HN 0.554 nan 8.150 nan 0.000 0.443 470 G N -0.518 107.790 108.800 -0.821 0.000 2.513 470 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 470 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 470 G C 1.533 175.879 174.900 -0.923 0.000 1.160 470 G CA 1.607 45.711 45.100 -1.660 0.000 0.767 470 G HN 0.362 nan 8.290 nan 0.000 0.571 471 V N 0.506 120.051 119.914 -0.615 0.000 2.307 471 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 471 V C 2.559 178.539 176.094 -0.190 0.000 1.045 471 V CA 2.287 64.434 62.300 -0.256 0.000 1.024 471 V CB -0.456 31.174 31.823 -0.320 0.000 0.651 471 V HN 0.573 nan 8.190 nan 0.000 0.449 472 E N 0.261 120.350 120.200 -0.185 0.000 2.058 472 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 472 E C 2.333 178.869 176.600 -0.106 0.000 0.997 472 E CA 1.731 58.060 56.400 -0.119 0.000 0.801 472 E CB -0.124 29.515 29.700 -0.103 0.000 0.746 472 E HN 0.507 nan 8.360 nan 0.000 0.450 473 K N -0.160 120.161 120.400 -0.132 0.000 2.032 473 K HA -0.170 4.149 4.320 -0.000 0.000 0.209 473 K C 2.085 178.650 176.600 -0.060 0.000 1.048 473 K CA 1.226 57.457 56.287 -0.092 0.000 0.927 473 K CB -0.226 32.209 32.500 -0.108 0.000 0.712 473 K HN 0.181 nan 8.250 nan 0.000 0.441 474 A N 1.174 123.960 122.820 -0.056 0.000 1.940 474 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 474 A C 2.053 179.628 177.584 -0.014 0.000 1.176 474 A CA 1.473 53.510 52.037 -0.000 0.000 0.631 474 A CB -0.560 18.475 19.000 0.057 0.000 0.814 474 A HN 0.345 nan 8.150 nan 0.000 0.446 475 I N -1.077 119.470 120.570 -0.039 0.000 2.163 475 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 475 I C 2.466 178.566 176.117 -0.028 0.000 1.081 475 I CA 1.712 62.989 61.300 -0.039 0.000 1.353 475 I CB -0.225 37.742 38.000 -0.055 0.000 1.054 475 I HN 0.252 nan 8.210 nan 0.000 0.407 476 K N 0.394 120.774 120.400 -0.032 0.000 2.360 476 K HA -0.107 4.213 4.320 -0.000 0.000 0.201 476 K C 1.666 178.256 176.600 -0.016 0.000 1.046 476 K CA 0.687 56.959 56.287 -0.025 0.000 0.945 476 K CB 0.129 32.610 32.500 -0.030 0.000 0.750 476 K HN 0.141 nan 8.250 nan 0.000 0.464 477 V N 1.322 121.229 119.914 -0.012 0.000 3.380 477 V HA -0.034 4.086 4.120 -0.000 0.000 0.268 477 V C 0.961 177.054 176.094 -0.002 0.000 1.168 477 V CA 0.739 63.037 62.300 -0.004 0.000 1.156 477 V CB -0.483 31.342 31.823 0.004 0.000 0.785 477 V HN 0.179 nan 8.190 nan 0.000 0.487 478 L N 0.000 121.220 121.223 -0.006 0.000 2.949 478 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 478 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 478 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 478 L HN 0.000 nan 8.230 nan 0.000 0.502