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 1nm0_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 AIKVLE 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 0.000 176.582 176.600 -0.030 0.000 0.988 4 K CA 0.000 56.275 56.287 -0.019 0.000 0.838 4 K CB 0.000 32.490 32.500 -0.016 0.000 1.064 5 K N 1.688 122.063 120.400 -0.041 0.000 2.183 5 K HA 0.331 4.650 4.320 -0.001 0.000 0.274 5 K C -0.300 176.250 176.600 -0.083 0.000 1.009 5 K CA -0.791 55.460 56.287 -0.061 0.000 0.888 5 K CB 1.580 34.043 32.500 -0.062 0.000 1.078 5 K HN -0.138 nan 8.250 nan 0.000 0.459 6 L N 2.951 124.106 121.223 -0.113 0.000 2.453 6 L HA 0.141 4.480 4.340 -0.001 0.000 0.272 6 L C -0.093 176.635 176.870 -0.238 0.000 1.182 6 L CA 1.070 55.810 54.840 -0.167 0.000 0.858 6 L CB 0.527 42.460 42.059 -0.210 0.000 1.120 6 L HN 0.868 nan 8.230 nan 0.000 0.474 7 T N 0.238 114.649 114.554 -0.237 0.000 2.843 7 T HA 0.626 4.976 4.350 -0.001 0.000 0.302 7 T C -0.012 174.556 174.700 -0.220 0.000 1.232 7 T CA -0.219 61.743 62.100 -0.230 0.000 1.009 7 T CB 1.051 69.847 68.868 -0.121 0.000 1.254 7 T HN 0.817 nan 8.240 nan 0.000 0.504 8 T N -0.710 113.754 114.554 -0.150 0.000 2.754 8 T HA 0.563 4.912 4.350 -0.001 0.000 0.286 8 T C 1.804 176.532 174.700 0.048 0.000 0.997 8 T CA -0.215 61.904 62.100 0.032 0.000 0.982 8 T CB 0.255 69.178 68.868 0.091 0.000 1.027 8 T HN 1.126 nan 8.240 nan 0.000 0.529 9 A N 0.253 123.125 122.820 0.087 0.000 2.067 9 A HA 0.344 4.663 4.320 -0.001 0.000 0.219 9 A C 2.374 179.986 177.584 0.046 0.000 1.158 9 A CA 1.153 53.217 52.037 0.044 0.000 0.661 9 A CB -1.198 17.829 19.000 0.044 0.000 0.801 9 A HN 1.189 nan 8.150 nan 0.000 0.452 10 A N -1.918 120.934 122.820 0.053 0.000 2.275 10 A HA 0.437 4.757 4.320 -0.001 0.000 0.212 10 A C 1.653 179.248 177.584 0.018 0.000 1.201 10 A CA 1.087 53.147 52.037 0.039 0.000 0.843 10 A CB -0.665 18.363 19.000 0.047 0.000 0.873 10 A HN 1.767 nan 8.150 nan 0.000 0.492 11 G N -2.065 106.739 108.800 0.006 0.000 2.141 11 G HA2 0.133 4.092 3.960 -0.001 0.000 0.231 11 G HA3 0.133 4.092 3.960 -0.001 0.000 0.231 11 G C 0.322 175.205 174.900 -0.028 0.000 0.984 11 G CA 0.221 45.313 45.100 -0.013 0.000 0.660 11 G HN 1.524 nan 8.290 nan 0.000 0.525 12 A N 0.176 122.978 122.820 -0.029 0.000 2.293 12 A HA 0.851 5.170 4.320 -0.001 0.000 0.302 12 A C -1.953 175.576 177.584 -0.092 0.000 1.119 12 A CA -1.416 50.595 52.037 -0.043 0.000 0.823 12 A CB 0.906 19.893 19.000 -0.020 0.000 1.097 12 A HN 0.113 nan 8.150 nan 0.000 0.491 13 P HA 0.243 nan 4.420 nan 0.000 0.269 13 P C -0.839 176.332 177.300 -0.214 0.000 1.209 13 P CA -0.052 62.962 63.100 -0.144 0.000 0.776 13 P CB 0.693 32.332 31.700 -0.102 0.000 0.876 14 V N 4.169 123.887 119.914 -0.327 0.000 2.350 14 V HA 0.043 4.163 4.120 -0.001 0.000 0.276 14 V C 1.391 177.304 176.094 -0.302 0.000 1.028 14 V CA -0.082 61.924 62.300 -0.490 0.000 0.860 14 V CB 1.370 32.612 31.823 -0.969 0.000 0.990 14 V HN 0.382 nan 8.190 nan 0.000 0.453 15 V N 2.614 122.408 119.914 -0.200 0.000 2.255 15 V HA 0.009 4.128 4.120 -0.001 0.000 0.243 15 V C 0.734 176.775 176.094 -0.088 0.000 1.038 15 V CA 1.581 63.816 62.300 -0.109 0.000 1.008 15 V CB -0.022 31.767 31.823 -0.055 0.000 0.645 15 V HN 0.917 nan 8.190 nan 0.000 0.449 16 D N -0.924 119.442 120.400 -0.058 0.000 2.593 16 D HA 0.239 4.879 4.640 -0.001 0.000 0.251 16 D C -0.430 175.911 176.300 0.069 0.000 1.140 16 D CA -0.337 53.665 54.000 0.004 0.000 0.855 16 D CB 1.471 42.294 40.800 0.038 0.000 1.267 16 D HN 0.115 nan 8.370 nan 0.000 0.532 17 N N 2.899 121.647 118.700 0.079 0.000 2.235 17 N HA 0.179 4.918 4.740 -0.001 0.000 0.231 17 N C -0.189 175.431 175.510 0.183 0.000 1.177 17 N CA -0.034 53.156 53.050 0.233 0.000 0.874 17 N CB 0.290 38.871 38.487 0.157 0.000 1.097 17 N HN 0.262 nan 8.380 nan 0.000 0.518 18 N N -0.872 117.898 118.700 0.118 0.000 2.113 18 N HA 0.154 4.894 4.740 -0.001 0.000 0.223 18 N C -1.062 174.487 175.510 0.064 0.000 1.310 18 N CA 0.026 53.123 53.050 0.079 0.000 0.896 18 N CB 0.599 39.114 38.487 0.047 0.000 1.097 18 N HN 0.124 nan 8.380 nan 0.000 0.507 19 N N 1.246 119.990 118.700 0.073 0.000 2.310 19 N HA 0.204 4.944 4.740 -0.001 0.000 0.292 19 N C -0.153 175.393 175.510 0.060 0.000 1.049 19 N CA -0.296 52.781 53.050 0.046 0.000 0.849 19 N CB 3.218 41.721 38.487 0.028 0.000 1.532 19 N HN -0.192 nan 8.380 nan 0.000 0.479 20 V N -0.491 119.436 119.914 0.022 0.000 3.336 20 V HA 0.555 4.675 4.120 -0.001 0.000 0.304 20 V C 0.659 176.743 176.094 -0.015 0.000 1.073 20 V CA -0.684 61.613 62.300 -0.005 0.000 1.074 20 V CB 0.581 32.317 31.823 -0.144 0.000 1.161 20 V HN 0.463 nan 8.190 nan 0.000 0.460 21 I N 2.382 122.939 120.570 -0.021 0.000 2.342 21 I HA 0.484 4.653 4.170 -0.001 0.000 0.291 21 I C 0.441 176.530 176.117 -0.047 0.000 1.010 21 I CA 0.122 61.413 61.300 -0.015 0.000 1.308 21 I CB 1.255 39.260 38.000 0.008 0.000 1.400 21 I HN 1.013 nan 8.210 nan 0.000 0.488 22 T N 2.196 116.727 114.554 -0.037 0.000 2.901 22 T HA 0.678 5.027 4.350 -0.001 0.000 0.293 22 T C -0.283 174.400 174.700 -0.027 0.000 1.084 22 T CA -1.012 61.062 62.100 -0.044 0.000 1.008 22 T CB 1.943 70.784 68.868 -0.047 0.000 1.170 22 T HN 0.562 nan 8.240 nan 0.000 0.509 23 A N 1.203 124.007 122.820 -0.026 0.000 2.922 23 A HA 0.708 5.027 4.320 -0.001 0.000 0.298 23 A C 1.144 178.718 177.584 -0.016 0.000 1.588 23 A CA 0.200 52.227 52.037 -0.018 0.000 1.288 23 A CB -1.559 17.431 19.000 -0.017 0.000 1.130 23 A HN 2.173 nan 8.150 nan 0.000 0.557 24 G N 3.154 111.945 108.800 -0.013 0.000 2.690 24 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.686 24 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.686 24 G C -1.249 173.643 174.900 -0.014 0.000 1.277 24 G CA -0.308 44.785 45.100 -0.012 0.000 0.799 24 G HN 0.403 nan 8.290 nan 0.000 0.613 25 P HA -0.141 nan 4.420 nan 0.000 0.216 25 P C 1.051 178.342 177.300 -0.015 0.000 1.150 25 P CA 1.427 64.519 63.100 -0.012 0.000 0.843 25 P CB 0.106 31.801 31.700 -0.009 0.000 0.787 26 R N -0.286 120.205 120.500 -0.015 0.000 2.700 26 R HA 0.374 4.713 4.340 -0.001 0.000 0.399 26 R C 0.872 177.160 176.300 -0.019 0.000 1.115 26 R CA -0.278 55.812 56.100 -0.017 0.000 1.058 26 R CB 0.901 31.193 30.300 -0.013 0.000 1.389 26 R HN 0.148 nan 8.270 nan 0.000 0.582 27 G N 1.470 110.257 108.800 -0.022 0.000 2.521 27 G HA2 0.427 4.387 3.960 -0.001 0.000 0.323 27 G HA3 0.427 4.387 3.960 -0.001 0.000 0.323 27 G C -2.394 172.486 174.900 -0.034 0.000 1.211 27 G CA -1.195 43.891 45.100 -0.024 0.000 0.979 27 G HN -0.103 nan 8.290 nan 0.000 0.490 28 P HA 0.125 nan 4.420 nan 0.000 0.272 28 P C -0.095 177.168 177.300 -0.061 0.000 1.230 28 P CA -0.109 62.964 63.100 -0.046 0.000 0.788 28 P CB 0.846 32.525 31.700 -0.035 0.000 0.949 29 M N 0.912 120.457 119.600 -0.091 0.000 2.243 29 M HA 0.192 4.671 4.480 -0.001 0.000 0.341 29 M C 0.386 176.635 176.300 -0.085 0.000 1.130 29 M CA -0.045 55.181 55.300 -0.125 0.000 1.162 29 M CB 0.118 32.580 32.600 -0.230 0.000 1.497 29 M HN 0.191 nan 8.290 nan 0.000 0.456 30 L N 2.446 123.627 121.223 -0.070 0.000 2.343 30 L HA 0.200 4.539 4.340 -0.001 0.000 0.275 30 L C 0.899 177.757 176.870 -0.020 0.000 1.056 30 L CA -0.551 54.270 54.840 -0.032 0.000 0.804 30 L CB 1.330 43.380 42.059 -0.014 0.000 1.203 30 L HN 0.714 nan 8.230 nan 0.000 0.440 31 L N 2.441 123.668 121.223 0.007 0.000 2.217 31 L HA -0.165 4.175 4.340 -0.001 0.000 0.211 31 L C 2.321 179.228 176.870 0.060 0.000 1.107 31 L CA 1.474 56.336 54.840 0.038 0.000 0.783 31 L CB -0.472 41.609 42.059 0.036 0.000 0.919 31 L HN 0.792 nan 8.230 nan 0.000 0.442 32 Q N -1.300 118.528 119.800 0.047 0.000 2.515 32 Q HA -0.125 4.215 4.340 -0.001 0.000 0.212 32 Q C 0.069 176.120 176.000 0.084 0.000 0.970 32 Q CA 0.402 56.241 55.803 0.059 0.000 0.941 32 Q CB -0.632 28.132 28.738 0.043 0.000 0.998 32 Q HN 0.377 nan 8.270 nan 0.000 0.518 33 D N 1.964 122.423 120.400 0.098 0.000 2.498 33 D HA 0.012 4.652 4.640 -0.001 0.000 0.229 33 D C 1.237 177.662 176.300 0.209 0.000 1.188 33 D CA -0.163 53.925 54.000 0.147 0.000 1.028 33 D CB 1.137 42.009 40.800 0.120 0.000 1.087 33 D HN 0.206 nan 8.370 nan 0.000 0.510 34 V N 2.323 122.348 119.914 0.185 0.000 2.626 34 V HA -0.081 4.039 4.120 -0.001 0.000 0.252 34 V C 2.095 178.326 176.094 0.228 0.000 1.067 34 V CA 0.649 63.054 62.300 0.176 0.000 1.081 34 V CB -0.940 30.970 31.823 0.145 0.000 0.686 34 V HN 0.600 nan 8.190 nan 0.000 0.468 35 W N 0.454 121.807 121.300 0.088 0.000 2.418 35 W HA -0.173 4.487 4.660 -0.001 0.000 0.292 35 W C 2.242 178.808 176.519 0.079 0.000 1.213 35 W CA 1.232 58.616 57.345 0.065 0.000 1.283 35 W CB -0.212 29.280 29.460 0.055 0.000 1.119 35 W HN 0.396 nan 8.180 nan 0.000 0.542 36 F N 1.765 121.631 119.950 -0.140 0.000 2.102 36 F HA -0.205 4.321 4.527 -0.001 0.000 0.298 36 F C 2.185 177.850 175.800 -0.225 0.000 1.105 36 F CA 2.158 60.011 58.000 -0.246 0.000 1.239 36 F CB -0.892 38.057 39.000 -0.084 0.000 0.991 36 F HN -0.243 nan 8.300 nan 0.000 0.474 37 L N 0.219 121.330 121.223 -0.186 0.000 2.017 37 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 37 L C 2.601 179.309 176.870 -0.270 0.000 1.073 37 L CA 2.027 56.730 54.840 -0.227 0.000 0.745 37 L CB -0.950 41.118 42.059 0.014 0.000 0.894 37 L HN 0.280 nan 8.230 nan 0.000 0.432 38 E N 0.707 120.790 120.200 -0.195 0.000 2.031 38 E HA -0.286 4.064 4.350 -0.001 0.000 0.193 38 E C 2.263 178.706 176.600 -0.262 0.000 0.994 38 E CA 1.413 57.747 56.400 -0.110 0.000 0.800 38 E CB 0.062 29.769 29.700 0.012 0.000 0.752 38 E HN 0.276 nan 8.360 nan 0.000 0.447 39 K N 0.063 120.023 120.400 -0.733 0.000 2.026 39 K HA -0.139 4.181 4.320 -0.001 0.000 0.208 39 K C 2.162 178.518 176.600 -0.405 0.000 1.048 39 K CA 1.117 56.929 56.287 -0.792 0.000 0.929 39 K CB -0.006 31.743 32.500 -1.253 0.000 0.713 39 K HN 0.184 nan 8.250 nan 0.000 0.439 40 L N 0.497 121.415 121.223 -0.507 0.000 2.217 40 L HA -0.026 4.313 4.340 -0.001 0.000 0.211 40 L C 2.450 179.242 176.870 -0.130 0.000 1.107 40 L CA 1.498 56.143 54.840 -0.326 0.000 0.783 40 L CB -1.174 40.497 42.059 -0.647 0.000 0.919 40 L HN 0.283 nan 8.230 nan 0.000 0.442 41 A N -1.287 121.427 122.820 -0.177 0.000 1.930 41 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 41 A C 2.112 179.622 177.584 -0.123 0.000 1.175 41 A CA 1.024 52.979 52.037 -0.137 0.000 0.627 41 A CB -0.611 18.301 19.000 -0.147 0.000 0.815 41 A HN 0.429 nan 8.150 nan 0.000 0.443 42 H N -2.367 116.636 119.070 -0.111 0.000 2.395 42 H HA -0.086 4.470 4.556 -0.001 0.000 0.299 42 H C 1.970 177.261 175.328 -0.063 0.000 1.070 42 H CA 1.708 57.707 56.048 -0.082 0.000 1.356 42 H CB -0.274 29.445 29.762 -0.072 0.000 1.401 42 H HN 0.611 nan 8.280 nan 0.000 0.524 43 F N 2.541 122.458 119.950 -0.055 0.000 2.134 43 F HA -0.170 4.356 4.527 -0.001 0.000 0.299 43 F C 1.635 177.378 175.800 -0.094 0.000 1.097 43 F CA 1.245 59.190 58.000 -0.091 0.000 1.264 43 F CB -0.195 38.729 39.000 -0.126 0.000 1.001 43 F HN -0.051 nan 8.300 nan 0.000 0.479 44 D N 0.318 120.554 120.400 -0.273 0.000 2.378 44 D HA -0.062 4.577 4.640 -0.001 0.000 0.222 44 D C 1.111 177.237 176.300 -0.290 0.000 0.980 44 D CA 0.840 54.633 54.000 -0.346 0.000 0.907 44 D CB -0.184 40.523 40.800 -0.155 0.000 0.899 44 D HN 0.418 nan 8.370 nan 0.000 0.527 45 R N 0.116 120.470 120.500 -0.242 0.000 2.727 45 R HA 0.207 4.547 4.340 -0.001 0.000 0.410 45 R C 0.839 177.029 176.300 -0.183 0.000 1.101 45 R CA -0.083 55.903 56.100 -0.190 0.000 1.045 45 R CB 0.627 30.828 30.300 -0.164 0.000 1.380 45 R HN 0.075 nan 8.270 nan 0.000 0.587 46 E N 0.284 120.340 120.200 -0.241 0.000 2.230 46 E HA 0.004 4.353 4.350 -0.001 0.000 0.192 46 E C 0.285 176.740 176.600 -0.242 0.000 0.987 46 E CA 0.643 56.893 56.400 -0.251 0.000 0.841 46 E CB 0.537 30.082 29.700 -0.259 0.000 0.783 46 E HN -0.000 nan 8.360 nan 0.000 0.481 47 V N 2.956 122.767 119.914 -0.172 0.000 2.567 47 V HA 0.239 4.358 4.120 -0.001 0.000 0.289 47 V C 0.284 176.365 176.094 -0.021 0.000 1.049 47 V CA -0.394 61.860 62.300 -0.077 0.000 0.969 47 V CB 1.016 32.793 31.823 -0.077 0.000 0.995 47 V HN 0.119 nan 8.190 nan 0.000 0.471 48 I N 2.159 122.767 120.570 0.063 0.000 2.957 48 I HA 0.744 4.914 4.170 -0.001 0.000 0.310 48 I C -2.707 173.427 176.117 0.029 0.000 1.063 48 I CA -2.877 58.447 61.300 0.041 0.000 1.033 48 I CB 1.898 39.955 38.000 0.095 0.000 1.230 48 I HN 0.349 nan 8.210 nan 0.000 0.447 49 P HA 0.111 nan 4.420 nan 0.000 0.268 49 P C -1.032 176.298 177.300 0.048 0.000 1.205 49 P CA -0.086 63.024 63.100 0.017 0.000 0.771 49 P CB 0.435 32.130 31.700 -0.009 0.000 0.858 50 E N 2.539 122.783 120.200 0.073 0.000 2.369 50 E HA 0.254 4.603 4.350 -0.001 0.000 0.255 50 E C -0.449 176.203 176.600 0.087 0.000 1.172 50 E CA -0.900 55.550 56.400 0.084 0.000 0.932 50 E CB 0.626 30.381 29.700 0.091 0.000 1.040 50 E HN 0.249 nan 8.360 nan 0.000 0.454 51 R N 0.844 121.397 120.500 0.089 0.000 2.623 51 R HA 0.073 4.412 4.340 -0.001 0.000 0.271 51 R C 0.425 176.782 176.300 0.096 0.000 1.043 51 R CA -0.384 55.770 56.100 0.089 0.000 1.083 51 R CB 0.347 30.708 30.300 0.102 0.000 0.974 51 R HN 0.441 nan 8.270 nan 0.000 0.436 55 A N 0.697 123.621 122.820 0.173 0.000 2.014 55 A HA -0.068 4.251 4.320 -0.001 0.000 0.218 55 A C 1.366 179.045 177.584 0.158 0.000 1.163 55 A CA 1.107 53.231 52.037 0.146 0.000 0.652 55 A CB 0.103 19.173 19.000 0.116 0.000 0.808 55 A HN 0.112 nan 8.150 nan 0.000 0.449 56 K N 0.089 120.586 120.400 0.161 0.000 2.234 56 K HA 0.542 4.862 4.320 -0.001 0.000 0.277 56 K C -0.078 176.654 176.600 0.219 0.000 1.038 56 K CA 0.586 56.983 56.287 0.182 0.000 0.888 56 K CB 0.856 33.453 32.500 0.160 0.000 1.091 56 K HN 0.300 nan 8.250 nan 0.000 0.467 57 G N 0.823 109.772 108.800 0.248 0.000 2.608 57 G HA2 0.568 4.527 3.960 -0.001 0.000 0.291 57 G HA3 0.568 4.527 3.960 -0.001 0.000 0.291 57 G C -1.501 173.569 174.900 0.283 0.000 1.425 57 G CA -0.735 44.489 45.100 0.206 0.000 0.787 57 G HN 0.495 nan 8.290 nan 0.000 0.484 58 S N -1.703 114.076 115.700 0.132 0.000 2.546 58 S HA 0.889 5.359 4.470 -0.001 0.000 0.274 58 S C -0.052 174.482 174.600 -0.110 0.000 1.121 58 S CA -0.166 58.161 58.200 0.211 0.000 0.887 58 S CB 1.986 65.408 63.200 0.370 0.000 1.094 58 S HN 1.401 nan 8.310 nan 0.000 0.474 59 G N 0.153 108.901 108.800 -0.087 0.000 2.680 59 G HA2 0.901 4.861 3.960 -0.001 0.000 0.290 59 G HA3 0.901 4.861 3.960 -0.001 0.000 0.290 59 G C -1.516 173.211 174.900 -0.288 0.000 1.355 59 G CA -0.524 44.313 45.100 -0.437 0.000 0.903 59 G HN 1.096 nan 8.290 nan 0.000 0.474 60 A N -0.775 121.685 122.820 -0.599 0.000 2.597 60 A HA 0.734 5.054 4.320 -0.001 0.000 0.292 60 A C -1.812 175.544 177.584 -0.380 0.000 1.057 60 A CA -0.727 51.166 52.037 -0.241 0.000 0.674 60 A CB 0.756 19.704 19.000 -0.087 0.000 1.278 60 A HN 0.635 nan 8.150 nan 0.000 0.416 61 F N 0.367 120.358 119.950 0.068 0.000 2.403 61 F HA 0.749 5.275 4.527 -0.001 0.000 0.326 61 F C 1.178 176.993 175.800 0.025 0.000 1.081 61 F CA 1.027 59.095 58.000 0.115 0.000 1.041 61 F CB 2.323 41.412 39.000 0.149 0.000 1.234 61 F HN 0.969 nan 8.300 nan 0.000 0.503 62 G N -0.094 108.851 108.800 0.242 0.000 2.731 62 G HA2 0.614 4.574 3.960 -0.001 0.000 0.309 62 G HA3 0.614 4.574 3.960 -0.001 0.000 0.309 62 G C -1.679 173.361 174.900 0.234 0.000 1.273 62 G CA -0.707 44.511 45.100 0.197 0.000 0.798 62 G HN 0.519 nan 8.290 nan 0.000 0.509 63 T N 0.037 114.762 114.554 0.285 0.000 2.933 63 T HA 0.535 4.884 4.350 -0.001 0.000 0.305 63 T C -1.788 173.158 174.700 0.410 0.000 1.092 63 T CA -0.249 62.029 62.100 0.297 0.000 1.008 63 T CB 1.965 70.956 68.868 0.204 0.000 1.102 63 T HN 0.562 nan 8.240 nan 0.000 0.469 64 F N 2.149 122.266 119.950 0.278 0.000 2.469 64 F HA 0.693 5.219 4.527 -0.001 0.000 0.332 64 F C -0.380 175.460 175.800 0.067 0.000 1.103 64 F CA -0.216 57.957 58.000 0.289 0.000 0.979 64 F CB 1.553 40.815 39.000 0.437 0.000 1.137 64 F HN 0.462 nan 8.300 nan 0.000 0.463 65 T N 5.402 119.368 114.554 -0.980 0.000 2.848 65 T HA 0.446 4.795 4.350 -0.001 0.000 0.285 65 T C -0.927 173.210 174.700 -0.939 0.000 0.995 65 T CA -0.586 61.049 62.100 -0.776 0.000 0.970 65 T CB 1.550 69.938 68.868 -0.799 0.000 0.976 65 T HN 0.390 nan 8.240 nan 0.000 0.441 66 V N 3.650 123.337 119.914 -0.378 0.000 2.583 66 V HA 0.331 4.451 4.120 -0.001 0.000 0.287 66 V C 1.483 177.537 176.094 -0.067 0.000 1.051 66 V CA 0.050 62.297 62.300 -0.090 0.000 1.010 66 V CB 1.158 33.078 31.823 0.162 0.000 0.988 66 V HN 1.188 nan 8.190 nan 0.000 0.478 67 T N -0.067 114.503 114.554 0.027 0.000 2.958 67 T HA 0.293 4.642 4.350 -0.001 0.000 0.256 67 T C 0.265 174.833 174.700 -0.220 0.000 0.983 67 T CA 0.046 62.135 62.100 -0.019 0.000 0.924 67 T CB 0.077 69.021 68.868 0.126 0.000 1.136 67 T HN 0.658 nan 8.240 nan 0.000 0.506 68 H N 0.426 119.533 119.070 0.061 0.000 2.895 68 H HA 0.636 5.192 4.556 -0.001 0.000 0.373 68 H C -1.529 173.825 175.328 0.043 0.000 1.174 68 H CA -0.867 55.211 56.048 0.049 0.000 1.144 68 H CB 1.569 31.362 29.762 0.051 0.000 1.793 68 H HN 0.002 nan 8.280 nan 0.000 0.551 69 D N 2.115 122.592 120.400 0.129 0.000 2.280 69 D HA 0.150 4.789 4.640 -0.001 0.000 0.243 69 D C 0.286 176.606 176.300 0.033 0.000 1.129 69 D CA -0.272 53.764 54.000 0.061 0.000 0.848 69 D CB 0.662 41.474 40.800 0.020 0.000 1.107 69 D HN 0.658 nan 8.370 nan 0.000 0.471 70 I N 0.845 121.415 120.570 -0.000 0.000 3.621 70 I HA 0.153 4.323 4.170 -0.001 0.000 0.325 70 I C 1.249 177.296 176.117 -0.117 0.000 1.554 70 I CA -0.499 60.782 61.300 -0.031 0.000 1.053 70 I CB 0.359 38.374 38.000 0.025 0.000 1.302 70 I HN 0.143 nan 8.210 nan 0.000 0.518 71 T N -1.174 113.316 114.554 -0.106 0.000 3.051 71 T HA -0.114 4.236 4.350 -0.001 0.000 0.269 71 T C 1.618 176.215 174.700 -0.170 0.000 1.127 71 T CA 1.417 63.454 62.100 -0.104 0.000 1.107 71 T CB -0.378 68.456 68.868 -0.056 0.000 0.898 71 T HN 0.720 nan 8.240 nan 0.000 0.517 72 K N -0.394 119.825 120.400 -0.301 0.000 2.365 72 K HA -0.016 4.304 4.320 -0.001 0.000 0.199 72 K C 1.144 177.451 176.600 -0.488 0.000 1.045 72 K CA 0.830 56.879 56.287 -0.397 0.000 0.962 72 K CB -0.288 31.877 32.500 -0.559 0.000 0.759 72 K HN 0.403 nan 8.250 nan 0.000 0.469 73 Y N 0.507 120.625 120.300 -0.304 0.000 2.535 73 Y HA 0.232 4.781 4.550 -0.001 0.000 0.264 73 Y C 0.680 176.433 175.900 -0.244 0.000 1.087 73 Y CA -0.070 57.737 58.100 -0.489 0.000 1.285 73 Y CB 0.912 39.118 38.460 -0.423 0.000 1.200 73 Y HN 0.038 nan 8.280 nan 0.000 0.514 74 T N 0.257 114.690 114.554 -0.202 0.000 2.916 74 T HA 0.388 4.738 4.350 -0.001 0.000 0.305 74 T C 0.137 174.740 174.700 -0.163 0.000 1.119 74 T CA -0.840 61.068 62.100 -0.320 0.000 1.008 74 T CB 1.318 69.586 68.868 -1.001 0.000 1.129 74 T HN 0.340 nan 8.240 nan 0.000 0.480 75 R N 2.227 122.666 120.500 -0.102 0.000 2.393 75 R HA 0.624 4.964 4.340 -0.001 0.000 0.244 75 R C 0.706 176.971 176.300 -0.058 0.000 0.920 75 R CA -0.306 55.765 56.100 -0.049 0.000 1.076 75 R CB -0.047 30.246 30.300 -0.012 0.000 1.119 75 R HN 0.490 nan 8.270 nan 0.000 0.524 76 A N 2.191 124.939 122.820 -0.120 0.000 2.548 76 A HA 0.055 4.374 4.320 -0.001 0.000 0.247 76 A C 0.682 178.159 177.584 -0.179 0.000 1.067 76 A CA -0.229 51.688 52.037 -0.201 0.000 0.757 76 A CB 0.396 19.181 19.000 -0.358 0.000 0.996 76 A HN 0.197 nan 8.150 nan 0.000 0.504 77 K N 2.431 122.739 120.400 -0.154 0.000 2.280 77 K HA -0.122 4.197 4.320 -0.001 0.000 0.202 77 K C 1.547 178.056 176.600 -0.153 0.000 1.047 77 K CA 1.200 57.428 56.287 -0.097 0.000 0.942 77 K CB -0.320 32.152 32.500 -0.047 0.000 0.739 77 K HN 0.876 nan 8.250 nan 0.000 0.457 78 I N -0.142 120.216 120.570 -0.354 0.000 2.614 78 I HA -0.196 3.973 4.170 -0.001 0.000 0.258 78 I C 0.396 176.297 176.117 -0.360 0.000 1.189 78 I CA 1.128 62.160 61.300 -0.446 0.000 1.462 78 I CB 0.151 37.675 38.000 -0.793 0.000 1.092 78 I HN -0.089 nan 8.210 nan 0.000 0.442 79 F N 0.030 119.960 119.950 -0.033 0.000 2.654 79 F HA 0.200 4.726 4.527 -0.001 0.000 0.303 79 F C 2.340 178.134 175.800 -0.009 0.000 1.099 79 F CA 0.190 58.198 58.000 0.013 0.000 1.270 79 F CB -0.708 38.257 39.000 -0.058 0.000 1.024 79 F HN 0.040 nan 8.300 nan 0.000 0.548 80 S N -0.713 115.042 115.700 0.092 0.000 2.419 80 S HA -0.080 4.389 4.470 -0.001 0.000 0.235 80 S C 0.515 175.150 174.600 0.058 0.000 1.019 80 S CA 0.922 59.154 58.200 0.053 0.000 0.982 80 S CB -0.179 63.033 63.200 0.020 0.000 0.789 80 S HN 0.469 nan 8.310 nan 0.000 0.490 81 E N -0.376 119.870 120.200 0.077 0.000 2.390 81 E HA 0.489 4.839 4.350 -0.001 0.000 0.277 81 E C -1.662 174.979 176.600 0.068 0.000 0.939 81 E CA -0.853 55.581 56.400 0.057 0.000 0.769 81 E CB 2.581 32.304 29.700 0.039 0.000 1.251 81 E HN -0.010 nan 8.360 nan 0.000 0.450 82 V N 1.693 121.633 119.914 0.042 0.000 2.572 82 V HA 0.320 4.439 4.120 -0.001 0.000 0.291 82 V C 1.261 177.364 176.094 0.015 0.000 1.039 82 V CA 1.664 63.978 62.300 0.024 0.000 1.055 82 V CB 0.664 32.481 31.823 -0.009 0.000 0.969 82 V HN 1.078 nan 8.190 nan 0.000 0.482 83 G N 3.902 112.703 108.800 0.003 0.000 2.195 83 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.246 83 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.246 83 G C 0.410 175.315 174.900 0.009 0.000 0.984 83 G CA 0.308 45.407 45.100 -0.001 0.000 0.633 83 G HN 0.720 nan 8.290 nan 0.000 0.525 84 K N 1.319 121.739 120.400 0.033 0.000 2.412 84 K HA 0.412 4.731 4.320 -0.001 0.000 0.281 84 K C 0.263 176.902 176.600 0.064 0.000 1.027 84 K CA 0.194 56.515 56.287 0.057 0.000 0.989 84 K CB 0.197 32.745 32.500 0.080 0.000 0.935 84 K HN 0.272 nan 8.250 nan 0.000 0.475 85 K N 2.304 122.750 120.400 0.077 0.000 2.203 85 K HA 0.341 4.660 4.320 -0.001 0.000 0.251 85 K C -1.064 175.637 176.600 0.169 0.000 0.944 85 K CA -0.775 55.574 56.287 0.103 0.000 0.829 85 K CB 2.171 34.718 32.500 0.078 0.000 1.125 85 K HN 0.508 nan 8.250 nan 0.000 0.430 86 T N 1.686 116.396 114.554 0.260 0.000 2.991 86 T HA 0.163 4.513 4.350 -0.001 0.000 0.303 86 T C -0.889 174.011 174.700 0.334 0.000 1.015 86 T CA -0.901 61.368 62.100 0.283 0.000 1.007 86 T CB 1.538 70.586 68.868 0.299 0.000 1.034 86 T HN 0.346 nan 8.240 nan 0.000 0.446 87 E N 2.712 123.094 120.200 0.303 0.000 2.390 87 E HA 0.530 4.880 4.350 -0.001 0.000 0.261 87 E C 0.008 176.839 176.600 0.386 0.000 1.076 87 E CA -0.158 56.444 56.400 0.337 0.000 0.905 87 E CB 0.873 30.755 29.700 0.304 0.000 0.984 87 E HN 0.651 nan 8.360 nan 0.000 0.427 88 M N 0.474 120.242 119.600 0.281 0.000 2.924 88 M HA 0.647 5.127 4.480 -0.001 0.000 0.271 88 M C -1.356 174.955 176.300 0.018 0.000 1.280 88 M CA -1.029 54.206 55.300 -0.109 0.000 0.813 88 M CB 1.414 33.709 32.600 -0.509 0.000 1.658 88 M HN 0.272 nan 8.290 nan 0.000 0.467 89 F N 0.179 119.817 119.950 -0.519 0.000 2.601 89 F HA 0.953 5.479 4.527 -0.001 0.000 0.309 89 F C -1.951 173.438 175.800 -0.685 0.000 1.089 89 F CA -0.511 57.146 58.000 -0.573 0.000 0.940 89 F CB 1.856 40.494 39.000 -0.604 0.000 1.273 89 F HN 1.142 nan 8.300 nan 0.000 0.450 90 A N 4.940 126.743 122.820 -1.694 0.000 2.475 90 A HA 0.862 5.181 4.320 -0.001 0.000 0.301 90 A C -1.585 174.885 177.584 -1.856 0.000 1.059 90 A CA -0.892 50.187 52.037 -1.596 0.000 0.710 90 A CB 1.885 19.959 19.000 -1.545 0.000 1.288 90 A HN 0.893 nan 8.150 nan 0.000 0.408 91 R N 1.740 121.344 120.500 -1.493 0.000 2.514 91 R HA 0.629 4.968 4.340 -0.001 0.000 0.296 91 R C -1.915 173.730 176.300 -1.092 0.000 1.012 91 R CA -0.345 55.100 56.100 -1.092 0.000 0.897 91 R CB 0.922 30.925 30.300 -0.495 0.000 1.184 91 R HN 0.635 nan 8.270 nan 0.000 0.440 92 F N 1.914 121.420 119.950 -0.741 0.000 2.440 92 F HA 0.609 5.135 4.527 -0.001 0.000 0.328 92 F C 0.594 175.938 175.800 -0.759 0.000 1.070 92 F CA -0.487 56.975 58.000 -0.897 0.000 1.011 92 F CB 2.232 40.413 39.000 -1.365 0.000 1.226 92 F HN 0.666 nan 8.300 nan 0.000 0.491 93 S N -1.095 114.472 115.700 -0.221 0.000 2.655 93 S HA 0.560 5.030 4.470 -0.001 0.000 0.266 93 S C -0.692 174.100 174.600 0.320 0.000 1.149 93 S CA -0.797 57.476 58.200 0.122 0.000 0.818 93 S CB 1.305 64.621 63.200 0.193 0.000 1.130 93 S HN 0.725 nan 8.310 nan 0.000 0.476 94 T N -1.695 113.015 114.554 0.258 0.000 2.898 94 T HA 0.770 5.120 4.350 -0.001 0.000 0.283 94 T C 0.726 175.361 174.700 -0.108 0.000 1.059 94 T CA 0.051 62.241 62.100 0.150 0.000 0.958 94 T CB 0.347 69.302 68.868 0.145 0.000 1.594 94 T HN 0.763 nan 8.240 nan 0.000 0.598 95 V N -0.539 119.292 119.914 -0.139 0.000 3.161 95 V HA 0.370 4.490 4.120 -0.001 0.000 0.221 95 V C 2.721 178.764 176.094 -0.085 0.000 1.296 95 V CA 0.594 62.703 62.300 -0.318 0.000 1.306 95 V CB -0.758 30.959 31.823 -0.176 0.000 1.171 95 V HN 0.982 nan 8.190 nan 0.000 0.513 96 A N 0.736 123.548 122.820 -0.013 0.000 1.898 96 A HA 0.293 4.612 4.320 -0.001 0.000 0.214 96 A C 1.634 179.235 177.584 0.028 0.000 1.183 96 A CA 1.113 53.155 52.037 0.009 0.000 0.622 96 A CB -1.064 17.945 19.000 0.015 0.000 0.824 96 A HN 0.615 nan 8.150 nan 0.000 0.444 97 G N 0.441 109.266 108.800 0.042 0.000 2.391 97 G HA2 0.354 4.313 3.960 -0.001 0.000 0.234 97 G HA3 0.354 4.313 3.960 -0.001 0.000 0.234 97 G C -0.192 174.746 174.900 0.064 0.000 1.284 97 G CA -0.137 44.995 45.100 0.055 0.000 0.873 97 G HN 0.478 nan 8.290 nan 0.000 0.549 98 E N -0.239 119.996 120.200 0.059 0.000 2.405 98 E HA 0.222 4.572 4.350 -0.001 0.000 0.253 98 E C 1.875 178.523 176.600 0.079 0.000 1.257 98 E CA -0.332 56.107 56.400 0.065 0.000 0.960 98 E CB 0.450 30.181 29.700 0.052 0.000 1.077 98 E HN 0.609 nan 8.360 nan 0.000 0.512 99 R N -0.191 120.359 120.500 0.085 0.000 2.303 99 R HA -0.040 4.299 4.340 -0.001 0.000 0.225 99 R C 1.035 177.381 176.300 0.077 0.000 1.114 99 R CA 1.439 57.598 56.100 0.099 0.000 1.007 99 R CB -0.281 30.085 30.300 0.110 0.000 0.861 99 R HN 0.425 nan 8.270 nan 0.000 0.471 100 G N -0.155 108.681 108.800 0.060 0.000 3.377 100 G HA2 0.429 4.389 3.960 -0.001 0.000 0.257 100 G HA3 0.429 4.389 3.960 -0.001 0.000 0.257 100 G C 0.203 175.129 174.900 0.044 0.000 1.038 100 G CA 0.042 45.169 45.100 0.045 0.000 0.809 100 G HN 0.428 nan 8.290 nan 0.000 0.526 101 A N 0.494 123.347 122.820 0.054 0.000 2.366 101 A HA 0.721 5.040 4.320 -0.001 0.000 0.250 101 A C 0.984 178.600 177.584 0.054 0.000 1.099 101 A CA 0.352 52.420 52.037 0.052 0.000 0.794 101 A CB 0.163 19.197 19.000 0.057 0.000 1.056 101 A HN 1.074 nan 8.150 nan 0.000 0.499 102 A N 0.005 122.854 122.820 0.048 0.000 2.462 102 A HA 0.352 4.672 4.320 -0.001 0.000 0.243 102 A C 0.566 178.183 177.584 0.055 0.000 1.076 102 A CA 0.053 52.117 52.037 0.044 0.000 0.773 102 A CB -0.018 19.005 19.000 0.037 0.000 1.010 102 A HN 0.779 nan 8.150 nan 0.000 0.493 103 D N 1.696 122.124 120.400 0.047 0.000 2.162 103 D HA 0.031 4.671 4.640 -0.001 0.000 0.203 103 D C 1.266 177.575 176.300 0.015 0.000 0.967 103 D CA 1.774 55.800 54.000 0.043 0.000 0.840 103 D CB -0.073 40.732 40.800 0.008 0.000 0.972 103 D HN 0.626 nan 8.370 nan 0.000 0.482 104 A N 1.431 124.256 122.820 0.010 0.000 3.118 104 A HA 0.181 4.500 4.320 -0.001 0.000 0.256 104 A C 0.184 177.787 177.584 0.031 0.000 1.667 104 A CA -0.071 51.972 52.037 0.009 0.000 1.338 104 A CB -0.335 18.667 19.000 0.004 0.000 1.127 104 A HN -0.020 nan 8.150 nan 0.000 0.634 105 E N 0.129 120.357 120.200 0.046 0.000 2.235 105 E HA 0.323 4.672 4.350 -0.001 0.000 0.265 105 E C -0.245 176.397 176.600 0.070 0.000 0.940 105 E CA -1.015 55.420 56.400 0.058 0.000 0.819 105 E CB 1.752 31.491 29.700 0.065 0.000 1.206 105 E HN 0.536 nan 8.360 nan 0.000 0.409 106 R N 2.008 122.554 120.500 0.077 0.000 2.288 106 R HA 0.106 4.446 4.340 -0.001 0.000 0.330 106 R C -1.047 175.316 176.300 0.105 0.000 1.069 106 R CA 0.489 56.643 56.100 0.090 0.000 0.941 106 R CB 0.205 30.563 30.300 0.097 0.000 0.998 106 R HN 0.422 nan 8.270 nan 0.000 0.452 107 D N 2.993 123.461 120.400 0.113 0.000 2.764 107 D HA 0.191 4.831 4.640 -0.001 0.000 0.293 107 D C -0.697 175.688 176.300 0.142 0.000 1.287 107 D CA -0.578 53.498 54.000 0.127 0.000 0.768 107 D CB 1.007 41.872 40.800 0.109 0.000 1.288 107 D HN 0.379 nan 8.370 nan 0.000 0.426 108 I N 1.089 121.756 120.570 0.161 0.000 2.882 108 I HA 0.260 4.430 4.170 -0.001 0.000 0.286 108 I C 0.531 176.772 176.117 0.207 0.000 1.139 108 I CA -0.283 61.129 61.300 0.186 0.000 1.379 108 I CB 0.458 38.601 38.000 0.238 0.000 1.410 108 I HN 0.064 nan 8.210 nan 0.000 0.594 109 R N 3.062 123.717 120.500 0.258 0.000 2.494 109 R HA 0.411 4.750 4.340 -0.001 0.000 0.305 109 R C -0.267 176.243 176.300 0.350 0.000 0.959 109 R CA -0.754 55.536 56.100 0.317 0.000 0.864 109 R CB 1.521 32.033 30.300 0.354 0.000 1.159 109 R HN 0.792 nan 8.270 nan 0.000 0.446 110 G N 1.133 110.165 108.800 0.386 0.000 2.467 110 G HA2 0.342 4.302 3.960 -0.001 0.000 0.257 110 G HA3 0.342 4.302 3.960 -0.001 0.000 0.257 110 G C -0.964 174.056 174.900 0.200 0.000 1.227 110 G CA -0.129 45.169 45.100 0.330 0.000 0.835 110 G HN 0.468 nan 8.290 nan 0.000 0.556 111 F N 2.129 122.019 119.950 -0.100 0.000 2.872 111 F HA 0.555 5.082 4.527 -0.001 0.000 0.365 111 F C 0.285 175.815 175.800 -0.450 0.000 1.296 111 F CA -0.816 57.092 58.000 -0.153 0.000 1.199 111 F CB 0.840 39.752 39.000 -0.146 0.000 1.687 111 F HN 0.656 nan 8.300 nan 0.000 0.604 112 A N 5.461 127.850 122.820 -0.719 0.000 2.290 112 A HA 0.835 5.155 4.320 -0.001 0.000 0.310 112 A C -1.225 175.655 177.584 -1.174 0.000 1.202 112 A CA -0.415 50.977 52.037 -1.076 0.000 0.837 112 A CB 0.658 18.587 19.000 -1.785 0.000 1.139 112 A HN 0.640 nan 8.150 nan 0.000 0.509 113 L N 1.671 122.361 121.223 -0.889 0.000 2.370 113 L HA 0.638 4.978 4.340 -0.001 0.000 0.266 113 L C -0.101 176.358 176.870 -0.686 0.000 1.002 113 L CA -0.709 53.551 54.840 -0.967 0.000 0.818 113 L CB 2.318 43.611 42.059 -1.278 0.000 1.325 113 L HN 0.764 nan 8.230 nan 0.000 0.418 114 K N 2.320 122.243 120.400 -0.795 0.000 2.545 114 K HA 0.538 4.857 4.320 -0.001 0.000 0.252 114 K C -1.836 174.140 176.600 -1.040 0.000 0.948 114 K CA -0.414 55.446 56.287 -0.710 0.000 0.827 114 K CB 1.176 33.325 32.500 -0.586 0.000 1.128 114 K HN 0.319 nan 8.250 nan 0.000 0.429 115 F N 3.626 123.227 119.950 -0.582 0.000 2.427 115 F HA 0.318 4.845 4.527 -0.001 0.000 0.346 115 F C -0.417 175.177 175.800 -0.344 0.000 1.120 115 F CA -0.725 57.022 58.000 -0.423 0.000 1.033 115 F CB 0.898 39.758 39.000 -0.233 0.000 1.126 115 F HN 0.400 nan 8.300 nan 0.000 0.462 116 Y N 1.644 122.027 120.300 0.138 0.000 2.632 116 Y HA 0.238 4.787 4.550 -0.001 0.000 0.336 116 Y C 1.010 176.970 175.900 0.101 0.000 1.237 116 Y CA -1.040 57.114 58.100 0.090 0.000 1.595 116 Y CB -0.490 38.010 38.460 0.067 0.000 1.508 116 Y HN 0.551 nan 8.280 nan 0.000 0.480 117 T N -2.393 112.270 114.554 0.181 0.000 2.847 117 T HA 0.114 4.464 4.350 -0.001 0.000 0.279 117 T C 1.161 175.916 174.700 0.092 0.000 0.984 117 T CA -0.585 61.576 62.100 0.100 0.000 0.988 117 T CB 1.108 69.982 68.868 0.011 0.000 1.040 117 T HN 0.719 nan 8.240 nan 0.000 0.528 118 E N -0.230 120.004 120.200 0.056 0.000 2.418 118 E HA -0.049 4.300 4.350 -0.001 0.000 0.197 118 E C 0.799 177.418 176.600 0.032 0.000 1.026 118 E CA 0.694 57.127 56.400 0.056 0.000 0.862 118 E CB -0.054 29.673 29.700 0.046 0.000 0.799 118 E HN 0.832 nan 8.360 nan 0.000 0.518 119 E N 0.713 120.912 120.200 -0.003 0.000 2.685 119 E HA 0.304 4.654 4.350 -0.001 0.000 0.208 119 E C -0.144 176.420 176.600 -0.060 0.000 0.996 119 E CA -0.048 56.313 56.400 -0.065 0.000 1.054 119 E CB 1.212 30.842 29.700 -0.117 0.000 1.075 119 E HN 0.362 nan 8.360 nan 0.000 0.460 120 G N 1.263 110.072 108.800 0.014 0.000 2.440 120 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.684 120 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.684 120 G C -1.109 173.839 174.900 0.081 0.000 1.309 120 G CA -1.121 44.003 45.100 0.040 0.000 0.931 120 G HN 0.212 nan 8.290 nan 0.000 0.612 121 N N -0.203 118.547 118.700 0.083 0.000 2.458 121 N HA 0.421 5.161 4.740 -0.001 0.000 0.270 121 N C -0.716 174.869 175.510 0.125 0.000 1.102 121 N CA -0.230 52.858 53.050 0.063 0.000 0.967 121 N CB 1.098 39.582 38.487 -0.004 0.000 1.078 121 N HN 0.601 nan 8.380 nan 0.000 0.471 122 W N 4.099 125.368 121.300 -0.051 0.000 2.329 122 W HA 0.333 4.992 4.660 -0.001 0.000 0.312 122 W C -1.275 175.250 176.519 0.011 0.000 1.054 122 W CA -0.968 56.361 57.345 -0.027 0.000 1.245 122 W CB 0.425 29.839 29.460 -0.077 0.000 1.255 122 W HN 0.393 nan 8.180 nan 0.000 0.436 123 D N 6.359 126.661 120.400 -0.163 0.000 2.193 123 D HA 0.216 4.856 4.640 -0.001 0.000 0.244 123 D C -0.268 175.721 176.300 -0.518 0.000 1.064 123 D CA -0.214 53.605 54.000 -0.301 0.000 0.845 123 D CB 1.690 42.464 40.800 -0.043 0.000 1.148 123 D HN 0.290 nan 8.370 nan 0.000 0.464 124 M N 3.701 122.909 119.600 -0.653 0.000 2.065 124 M HA 0.187 4.667 4.480 -0.001 0.000 0.332 124 M C -1.609 174.474 176.300 -0.362 0.000 0.988 124 M CA -0.837 54.132 55.300 -0.551 0.000 0.944 124 M CB 0.562 32.720 32.600 -0.736 0.000 1.357 124 M HN -0.026 nan 8.290 nan 0.000 0.388 125 V N 4.839 124.618 119.914 -0.224 0.000 2.299 125 V HA 0.555 4.675 4.120 -0.001 0.000 0.255 125 V C 0.960 176.987 176.094 -0.112 0.000 1.100 125 V CA -0.380 61.769 62.300 -0.252 0.000 0.938 125 V CB -0.334 31.330 31.823 -0.265 0.000 1.139 125 V HN 0.837 nan 8.190 nan 0.000 0.490 126 G N 3.294 112.041 108.800 -0.087 0.000 2.887 126 G HA2 0.635 4.595 3.960 -0.001 0.000 0.277 126 G HA3 0.635 4.595 3.960 -0.001 0.000 0.277 126 G C -0.797 174.153 174.900 0.083 0.000 1.346 126 G CA -0.634 44.492 45.100 0.043 0.000 1.058 126 G HN 0.487 nan 8.290 nan 0.000 0.535 127 N N -0.925 117.863 118.700 0.146 0.000 2.629 127 N HA 0.217 4.956 4.740 -0.001 0.000 0.279 127 N C 0.101 175.751 175.510 0.233 0.000 1.344 127 N CA -0.709 52.472 53.050 0.219 0.000 0.789 127 N CB 1.515 40.135 38.487 0.222 0.000 1.508 127 N HN 0.525 nan 8.380 nan 0.000 0.516 128 N N -1.056 117.804 118.700 0.267 0.000 2.362 128 N HA -0.007 4.733 4.740 -0.001 0.000 0.204 128 N C -0.443 175.320 175.510 0.422 0.000 1.166 128 N CA 0.045 53.269 53.050 0.290 0.000 0.831 128 N CB 0.040 38.685 38.487 0.263 0.000 1.008 128 N HN 0.396 nan 8.380 nan 0.000 0.472 129 T N -0.043 114.693 114.554 0.302 0.000 2.912 129 T HA 0.369 4.719 4.350 -0.001 0.000 0.299 129 T C -2.475 172.011 174.700 -0.356 0.000 1.052 129 T CA -1.709 60.360 62.100 -0.051 0.000 0.996 129 T CB 2.318 71.147 68.868 -0.065 0.000 1.070 129 T HN -0.164 nan 8.240 nan 0.000 0.465 130 P HA 0.134 nan 4.420 nan 0.000 0.241 130 P C 0.490 177.533 177.300 -0.428 0.000 1.191 130 P CA 0.335 62.937 63.100 -0.830 0.000 0.771 130 P CB -0.001 31.087 31.700 -1.020 0.000 0.929 131 V N -4.846 114.845 119.914 -0.372 0.000 3.105 131 V HA 0.771 4.891 4.120 -0.001 0.000 0.311 131 V C -0.849 175.187 176.094 -0.097 0.000 1.282 131 V CA -1.084 61.053 62.300 -0.272 0.000 1.065 131 V CB 1.971 33.521 31.823 -0.456 0.000 1.136 131 V HN -0.094 nan 8.190 nan 0.000 0.469 132 F N -1.698 118.099 119.950 -0.256 0.000 2.789 132 F HA 0.650 5.177 4.527 -0.001 0.000 0.319 132 F C 0.251 175.959 175.800 -0.152 0.000 1.168 132 F CA -1.028 56.844 58.000 -0.212 0.000 0.934 132 F CB 1.445 40.427 39.000 -0.030 0.000 1.375 132 F HN 0.526 nan 8.300 nan 0.000 0.480 133 Y N 1.116 121.099 120.300 -0.527 0.000 2.337 133 Y HA 0.220 4.770 4.550 -0.001 0.000 0.293 133 Y C 0.388 176.296 175.900 0.013 0.000 1.123 133 Y CA 0.619 58.562 58.100 -0.262 0.000 1.201 133 Y CB -0.200 38.101 38.460 -0.264 0.000 1.011 133 Y HN 0.047 nan 8.280 nan 0.000 0.545 134 L N -0.850 120.587 121.223 0.357 0.000 2.304 134 L HA 0.509 4.848 4.340 -0.001 0.000 0.268 134 L C 0.862 177.854 176.870 0.203 0.000 1.010 134 L CA -0.885 54.131 54.840 0.294 0.000 0.813 134 L CB 1.796 44.090 42.059 0.392 0.000 1.315 134 L HN -0.180 nan 8.230 nan 0.000 0.445 135 R N -0.952 119.571 120.500 0.039 0.000 2.394 135 R HA 0.182 4.521 4.340 -0.001 0.000 0.220 135 R C -0.505 175.760 176.300 -0.060 0.000 0.887 135 R CA 0.019 56.056 56.100 -0.105 0.000 1.034 135 R CB 0.756 30.749 30.300 -0.513 0.000 1.179 135 R HN 0.588 nan 8.270 nan 0.000 0.561 136 D N 0.582 121.001 120.400 0.033 0.000 2.649 136 D HA 0.157 4.797 4.640 -0.001 0.000 0.249 136 D C -1.994 174.413 176.300 0.178 0.000 1.112 136 D CA -2.037 52.033 54.000 0.117 0.000 0.850 136 D CB 2.619 43.529 40.800 0.184 0.000 1.399 136 D HN -0.174 nan 8.370 nan 0.000 0.503 137 P HA -0.064 nan 4.420 nan 0.000 0.225 137 P C 1.665 179.084 177.300 0.198 0.000 1.148 137 P CA 0.370 63.575 63.100 0.175 0.000 0.779 137 P CB 0.572 32.327 31.700 0.092 0.000 0.780 138 L N -0.724 120.598 121.223 0.166 0.000 2.362 138 L HA -0.052 4.288 4.340 -0.001 0.000 0.219 138 L C 2.232 179.194 176.870 0.153 0.000 1.134 138 L CA 1.054 55.978 54.840 0.140 0.000 0.807 138 L CB -0.474 41.655 42.059 0.116 0.000 0.927 138 L HN -0.114 nan 8.230 nan 0.000 0.447 139 K N -0.884 119.640 120.400 0.207 0.000 2.444 139 K HA 0.003 4.323 4.320 -0.001 0.000 0.193 139 K C 1.668 178.401 176.600 0.222 0.000 1.024 139 K CA 0.345 56.770 56.287 0.231 0.000 1.077 139 K CB -0.036 32.631 32.500 0.278 0.000 0.833 139 K HN 0.140 nan 8.250 nan 0.000 0.517 140 F N 2.769 122.783 119.950 0.107 0.000 2.102 140 F HA -0.081 4.445 4.527 -0.001 0.000 0.298 140 F C -0.957 174.804 175.800 -0.065 0.000 1.105 140 F CA 1.027 59.083 58.000 0.092 0.000 1.239 140 F CB -0.754 38.311 39.000 0.110 0.000 0.991 140 F HN 0.025 nan 8.300 nan 0.000 0.474 141 P HA -0.140 nan 4.420 nan 0.000 0.218 141 P C 1.105 177.941 177.300 -0.774 0.000 1.149 141 P CA 1.808 64.688 63.100 -0.366 0.000 0.817 141 P CB -0.064 31.485 31.700 -0.251 0.000 0.785 142 D N -0.722 119.357 120.400 -0.534 0.000 2.117 142 D HA -0.123 4.517 4.640 -0.001 0.000 0.198 142 D C 1.919 177.641 176.300 -0.962 0.000 0.982 142 D CA 0.947 54.562 54.000 -0.643 0.000 0.828 142 D CB -0.517 40.076 40.800 -0.344 0.000 0.967 142 D HN 0.099 nan 8.370 nan 0.000 0.464 143 L N 1.852 122.590 121.223 -0.809 0.000 2.046 143 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 143 L C 1.794 178.280 176.870 -0.640 0.000 1.077 143 L CA 1.615 55.972 54.840 -0.804 0.000 0.747 143 L CB -0.782 41.026 42.059 -0.418 0.000 0.896 143 L HN -0.062 nan 8.230 nan 0.000 0.432 144 N N -0.451 117.897 118.700 -0.586 0.000 2.069 144 N HA -0.284 4.456 4.740 -0.001 0.000 0.191 144 N C 1.891 177.290 175.510 -0.186 0.000 1.031 144 N CA 2.186 55.016 53.050 -0.368 0.000 0.852 144 N CB -0.388 37.914 38.487 -0.309 0.000 1.018 144 N HN 0.701 nan 8.380 nan 0.000 0.423 145 H N -0.544 118.327 119.070 -0.332 0.000 2.518 145 H HA -0.056 4.499 4.556 -0.001 0.000 0.289 145 H C 1.687 176.847 175.328 -0.280 0.000 1.051 145 H CA 1.244 57.130 56.048 -0.270 0.000 1.280 145 H CB 0.240 29.837 29.762 -0.275 0.000 1.380 145 H HN 0.434 nan 8.280 nan 0.000 0.566 146 I N -1.969 118.423 120.570 -0.297 0.000 3.939 146 I HA -0.003 4.166 4.170 -0.001 0.000 0.313 146 I C 1.941 177.937 176.117 -0.202 0.000 1.274 146 I CA 0.013 61.149 61.300 -0.274 0.000 1.301 146 I CB -0.094 37.616 38.000 -0.484 0.000 1.105 146 I HN -0.011 nan 8.210 nan 0.000 0.427 147 V N -1.745 118.033 119.914 -0.226 0.000 3.406 147 V HA 0.232 4.352 4.120 -0.001 0.000 0.263 147 V C 1.345 177.400 176.094 -0.066 0.000 1.172 147 V CA 0.499 62.720 62.300 -0.133 0.000 1.140 147 V CB -1.141 30.598 31.823 -0.140 0.000 0.784 147 V HN 0.324 nan 8.190 nan 0.000 0.467 148 K N 0.318 120.678 120.400 -0.066 0.000 2.443 148 K HA 0.531 4.850 4.320 -0.001 0.000 0.284 148 K C -0.043 176.550 176.600 -0.013 0.000 0.992 148 K CA -1.023 55.248 56.287 -0.027 0.000 1.292 148 K CB 0.497 32.986 32.500 -0.019 0.000 1.705 148 K HN 0.186 nan 8.250 nan 0.000 0.778 149 R N 1.530 122.025 120.500 -0.009 0.000 2.459 149 R HA 0.094 4.434 4.340 -0.001 0.000 0.281 149 R C -0.402 175.899 176.300 0.002 0.000 1.050 149 R CA -0.569 55.529 56.100 -0.003 0.000 1.055 149 R CB 0.540 30.837 30.300 -0.004 0.000 1.045 149 R HN 0.539 nan 8.270 nan 0.000 0.495 150 D N 3.584 123.996 120.400 0.020 0.000 2.424 150 D HA 0.005 4.644 4.640 -0.001 0.000 0.244 150 D C -1.304 175.012 176.300 0.025 0.000 1.134 150 D CA -1.559 52.479 54.000 0.064 0.000 0.881 150 D CB 1.235 42.048 40.800 0.023 0.000 1.191 150 D HN 0.286 nan 8.370 nan 0.000 0.445 151 P HA -0.123 nan 4.420 nan 0.000 0.223 151 P C 1.064 178.361 177.300 -0.006 0.000 1.144 151 P CA 0.957 64.043 63.100 -0.022 0.000 0.783 151 P CB 0.502 32.173 31.700 -0.048 0.000 0.771 152 R N -0.247 120.262 120.500 0.015 0.000 2.215 152 R HA 0.026 4.365 4.340 -0.001 0.000 0.190 152 R C 2.319 178.620 176.300 0.002 0.000 0.968 152 R CA 1.213 57.318 56.100 0.008 0.000 1.122 152 R CB -0.428 29.882 30.300 0.017 0.000 1.151 152 R HN 0.092 nan 8.270 nan 0.000 0.582 153 T N -1.489 113.064 114.554 -0.001 0.000 3.023 153 T HA -0.040 4.309 4.350 -0.001 0.000 0.266 153 T C 0.752 175.448 174.700 -0.008 0.000 1.093 153 T CA 1.034 63.128 62.100 -0.011 0.000 1.129 153 T CB -0.227 68.625 68.868 -0.027 0.000 0.899 153 T HN 0.437 nan 8.240 nan 0.000 0.491 154 N N 0.210 118.907 118.700 -0.005 0.000 2.747 154 N HA -0.144 4.595 4.740 -0.001 0.000 0.249 154 N C -0.732 174.777 175.510 -0.003 0.000 1.107 154 N CA 0.815 53.863 53.050 -0.004 0.000 0.707 154 N CB -1.816 36.670 38.487 -0.003 0.000 1.054 154 N HN 0.713 nan 8.380 nan 0.000 0.555 155 M N -0.027 119.569 119.600 -0.007 0.000 2.572 155 M HA 0.372 4.852 4.480 -0.001 0.000 0.299 155 M C 0.025 176.321 176.300 -0.008 0.000 1.205 155 M CA -0.766 54.531 55.300 -0.005 0.000 0.876 155 M CB 2.073 34.667 32.600 -0.009 0.000 1.728 155 M HN -0.081 nan 8.290 nan 0.000 0.458 156 R N 1.950 122.452 120.500 0.003 0.000 2.458 156 R HA 0.102 4.441 4.340 -0.001 0.000 0.303 156 R C -0.297 176.000 176.300 -0.006 0.000 1.013 156 R CA -0.049 56.055 56.100 0.007 0.000 1.026 156 R CB -0.051 30.263 30.300 0.023 0.000 0.948 156 R HN 0.434 nan 8.270 nan 0.000 0.417 157 N N 4.164 122.849 118.700 -0.025 0.000 2.439 157 N HA 0.046 4.785 4.740 -0.001 0.000 0.249 157 N C 0.668 176.175 175.510 -0.005 0.000 1.003 157 N CA -0.259 52.725 53.050 -0.109 0.000 0.942 157 N CB 1.020 39.293 38.487 -0.356 0.000 1.115 157 N HN 0.471 nan 8.380 nan 0.000 0.505 158 M N 2.148 121.781 119.600 0.056 0.000 2.394 158 M HA 0.006 4.486 4.480 -0.001 0.000 0.264 158 M C 1.759 178.228 176.300 0.281 0.000 1.073 158 M CA 0.537 55.969 55.300 0.221 0.000 1.111 158 M CB -1.179 31.574 32.600 0.254 0.000 1.401 158 M HN 0.629 nan 8.290 nan 0.000 0.448 159 A N -0.561 122.328 122.820 0.115 0.000 1.898 159 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 159 A C 1.878 179.626 177.584 0.274 0.000 1.181 159 A CA 1.202 53.326 52.037 0.146 0.000 0.620 159 A CB -0.694 18.309 19.000 0.004 0.000 0.819 159 A HN 0.354 nan 8.150 nan 0.000 0.442 160 Y N 0.178 120.529 120.300 0.085 0.000 2.220 160 Y HA -0.104 4.445 4.550 -0.001 0.000 0.291 160 Y C 2.339 178.238 175.900 -0.001 0.000 1.129 160 Y CA 1.002 59.120 58.100 0.030 0.000 1.161 160 Y CB -0.824 37.619 38.460 -0.029 0.000 0.997 160 Y HN 0.423 nan 8.280 nan 0.000 0.522 161 K N -0.510 119.972 120.400 0.135 0.000 2.020 161 K HA -0.239 4.081 4.320 -0.001 0.000 0.212 161 K C 1.866 178.412 176.600 -0.090 0.000 1.050 161 K CA 2.312 58.542 56.287 -0.094 0.000 0.929 161 K CB -0.590 31.837 32.500 -0.122 0.000 0.714 161 K HN 0.283 nan 8.250 nan 0.000 0.443 162 W N 1.191 122.620 121.300 0.214 0.000 2.584 162 W HA -0.047 4.613 4.660 -0.001 0.000 0.264 162 W C 1.888 178.502 176.519 0.158 0.000 1.264 162 W CA 0.705 58.187 57.345 0.227 0.000 1.306 162 W CB -0.161 29.404 29.460 0.174 0.000 1.110 162 W HN 0.374 nan 8.180 nan 0.000 0.606 163 D N -0.138 120.452 120.400 0.316 0.000 2.097 163 D HA -0.251 4.389 4.640 -0.001 0.000 0.197 163 D C 1.887 178.358 176.300 0.286 0.000 0.984 163 D CA 1.271 55.428 54.000 0.262 0.000 0.826 163 D CB -0.481 40.479 40.800 0.266 0.000 0.973 163 D HN 0.061 nan 8.370 nan 0.000 0.460 164 F N 0.094 120.043 119.950 -0.002 0.000 2.069 164 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 164 F C 1.893 177.619 175.800 -0.123 0.000 1.113 164 F CA 1.400 59.311 58.000 -0.149 0.000 1.214 164 F CB -0.636 38.087 39.000 -0.461 0.000 0.978 164 F HN -0.081 nan 8.300 nan 0.000 0.474 165 F N 0.808 120.704 119.950 -0.090 0.000 2.293 165 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 165 F C 2.890 178.582 175.800 -0.180 0.000 1.086 165 F CA 1.140 58.988 58.000 -0.254 0.000 1.375 165 F CB -1.505 37.322 39.000 -0.290 0.000 1.045 165 F HN 0.139 nan 8.300 nan 0.000 0.516 166 S N -1.518 114.221 115.700 0.065 0.000 2.507 166 S HA -0.149 4.320 4.470 -0.001 0.000 0.235 166 S C 1.471 175.910 174.600 -0.268 0.000 0.988 166 S CA 1.048 59.187 58.200 -0.102 0.000 0.944 166 S CB -0.726 62.397 63.200 -0.128 0.000 0.762 166 S HN 0.469 nan 8.310 nan 0.000 0.526 167 H N 0.373 119.374 119.070 -0.114 0.000 2.586 167 H HA 0.433 4.988 4.556 -0.001 0.000 0.273 167 H C -0.329 174.869 175.328 -0.217 0.000 0.997 167 H CA 0.066 56.024 56.048 -0.149 0.000 1.177 167 H CB 0.377 30.051 29.762 -0.147 0.000 1.471 167 H HN 0.382 nan 8.280 nan 0.000 0.538 168 L N 1.617 122.747 121.223 -0.156 0.000 2.462 168 L HA 0.258 4.597 4.340 -0.001 0.000 0.255 168 L C -2.033 174.700 176.870 -0.229 0.000 1.076 168 L CA -1.588 53.133 54.840 -0.199 0.000 0.920 168 L CB 2.266 44.180 42.059 -0.242 0.000 1.214 168 L HN -0.176 nan 8.230 nan 0.000 0.472 169 P HA -0.171 nan 4.420 nan 0.000 0.222 169 P C 1.303 178.340 177.300 -0.437 0.000 1.147 169 P CA 0.833 63.613 63.100 -0.534 0.000 0.790 169 P CB 0.224 31.328 31.700 -0.994 0.000 0.780 170 E N 0.328 120.327 120.200 -0.337 0.000 2.338 170 E HA -0.123 4.226 4.350 -0.001 0.000 0.197 170 E C 1.393 178.007 176.600 0.023 0.000 1.007 170 E CA 1.521 57.935 56.400 0.023 0.000 0.849 170 E CB -0.963 28.836 29.700 0.166 0.000 0.774 170 E HN 0.332 nan 8.360 nan 0.000 0.506 171 S N 0.481 116.172 115.700 -0.015 0.000 2.562 171 S HA 0.084 4.554 4.470 -0.001 0.000 0.221 171 S C 2.039 176.614 174.600 -0.041 0.000 0.975 171 S CA -0.126 58.076 58.200 0.003 0.000 0.918 171 S CB -0.501 62.718 63.200 0.030 0.000 0.772 171 S HN 0.192 nan 8.310 nan 0.000 0.531 172 L N 0.708 121.924 121.223 -0.013 0.000 2.127 172 L HA -0.137 4.202 4.340 -0.001 0.000 0.211 172 L C 2.799 179.778 176.870 0.182 0.000 1.089 172 L CA 1.912 56.794 54.840 0.070 0.000 0.757 172 L CB -0.741 41.356 42.059 0.063 0.000 0.899 172 L HN 0.523 nan 8.230 nan 0.000 0.434 173 H N -0.732 118.354 119.070 0.028 0.000 2.321 173 H HA -0.235 4.320 4.556 -0.001 0.000 0.300 173 H C 2.410 177.722 175.328 -0.027 0.000 1.087 173 H CA 1.446 57.512 56.048 0.029 0.000 1.319 173 H CB 0.403 30.162 29.762 -0.006 0.000 1.379 173 H HN 0.182 nan 8.280 nan 0.000 0.501 174 Q N 0.793 120.549 119.800 -0.073 0.000 2.123 174 Q HA -0.056 4.284 4.340 -0.001 0.000 0.199 174 Q C 2.354 178.247 176.000 -0.178 0.000 0.966 174 Q CA 1.069 56.679 55.803 -0.323 0.000 0.845 174 Q CB -0.220 28.037 28.738 -0.801 0.000 0.907 174 Q HN 0.554 nan 8.270 nan 0.000 0.439 175 L N -0.461 120.731 121.223 -0.052 0.000 2.083 175 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 175 L C 2.156 179.163 176.870 0.229 0.000 1.083 175 L CA 1.640 56.530 54.840 0.083 0.000 0.752 175 L CB -0.641 41.479 42.059 0.101 0.000 0.899 175 L HN 0.237 nan 8.230 nan 0.000 0.433 176 T N -0.015 114.708 114.554 0.282 0.000 2.867 176 T HA -0.107 4.242 4.350 -0.001 0.000 0.268 176 T C 1.895 176.714 174.700 0.198 0.000 1.057 176 T CA 1.152 63.452 62.100 0.333 0.000 1.136 176 T CB -0.094 69.019 68.868 0.409 0.000 0.874 176 T HN 0.208 nan 8.240 nan 0.000 0.466 177 I N 1.033 121.681 120.570 0.130 0.000 2.286 177 I HA -0.121 4.048 4.170 -0.001 0.000 0.245 177 I C 2.215 178.375 176.117 0.072 0.000 1.104 177 I CA 1.021 62.364 61.300 0.073 0.000 1.397 177 I CB -0.287 37.707 38.000 -0.009 0.000 1.072 177 I HN 0.096 nan 8.210 nan 0.000 0.417 178 D N 0.716 121.158 120.400 0.070 0.000 2.123 178 D HA -0.160 4.480 4.640 -0.001 0.000 0.196 178 D C 2.115 178.490 176.300 0.126 0.000 0.992 178 D CA 1.322 55.382 54.000 0.099 0.000 0.833 178 D CB -0.096 40.780 40.800 0.127 0.000 0.954 178 D HN 0.208 nan 8.370 nan 0.000 0.455 179 M N 0.594 120.284 119.600 0.150 0.000 2.558 179 M HA 0.053 4.532 4.480 -0.001 0.000 0.255 179 M C 1.056 177.402 176.300 0.075 0.000 1.113 179 M CA 0.166 55.549 55.300 0.138 0.000 1.097 179 M CB -0.656 32.053 32.600 0.182 0.000 1.426 179 M HN -0.103 nan 8.290 nan 0.000 0.488 180 S N 0.324 116.065 115.700 0.068 0.000 2.626 180 S HA 0.088 4.558 4.470 -0.001 0.000 0.257 180 S C 0.818 175.434 174.600 0.027 0.000 1.288 180 S CA -0.418 57.800 58.200 0.030 0.000 0.980 180 S CB 1.024 64.248 63.200 0.040 0.000 0.975 180 S HN 0.178 nan 8.310 nan 0.000 0.577 181 D N 0.460 120.863 120.400 0.005 0.000 2.178 181 D HA -0.042 4.597 4.640 -0.001 0.000 0.201 181 D C 1.898 178.216 176.300 0.030 0.000 0.980 181 D CA 1.100 55.103 54.000 0.006 0.000 0.842 181 D CB -0.281 40.509 40.800 -0.016 0.000 0.948 181 D HN 0.539 nan 8.370 nan 0.000 0.472 182 R N 0.229 120.756 120.500 0.046 0.000 2.357 182 R HA 0.040 4.380 4.340 -0.001 0.000 0.202 182 R C 1.927 178.278 176.300 0.084 0.000 1.047 182 R CA 0.566 56.709 56.100 0.071 0.000 1.034 182 R CB -0.168 30.188 30.300 0.094 0.000 0.875 182 R HN 0.091 nan 8.270 nan 0.000 0.473 183 G N 0.224 109.069 108.800 0.075 0.000 2.744 183 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.211 183 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.211 183 G C 0.537 175.489 174.900 0.087 0.000 1.143 183 G CA 0.040 45.193 45.100 0.087 0.000 0.788 183 G HN 0.178 nan 8.290 nan 0.000 0.534 184 L N 0.803 122.069 121.223 0.072 0.000 2.492 184 L HA 0.340 4.679 4.340 -0.001 0.000 0.259 184 L C -2.688 174.214 176.870 0.053 0.000 1.229 184 L CA -1.682 53.196 54.840 0.063 0.000 0.903 184 L CB 2.707 44.796 42.059 0.050 0.000 1.114 184 L HN -0.120 nan 8.230 nan 0.000 0.494 185 P HA 0.059 nan 4.420 nan 0.000 0.272 185 P C 0.444 177.776 177.300 0.053 0.000 1.240 185 P CA -0.425 62.722 63.100 0.077 0.000 0.791 185 P CB 0.965 32.736 31.700 0.119 0.000 0.978 186 L N 1.183 122.447 121.223 0.069 0.000 2.072 186 L HA 0.020 4.359 4.340 -0.001 0.000 0.205 186 L C 0.664 177.593 176.870 0.098 0.000 1.079 186 L CA 2.164 57.032 54.840 0.047 0.000 0.752 186 L CB -0.574 41.455 42.059 -0.051 0.000 0.906 186 L HN 0.609 nan 8.230 nan 0.000 0.436 187 S N -4.703 111.116 115.700 0.199 0.000 2.703 187 S HA 0.238 4.708 4.470 -0.001 0.000 0.273 187 S C 0.277 174.891 174.600 0.022 0.000 1.178 187 S CA -0.344 57.874 58.200 0.030 0.000 0.838 187 S CB -0.256 63.028 63.200 0.139 0.000 1.178 187 S HN 0.040 nan 8.310 nan 0.000 0.494 188 Y N 0.873 121.204 120.300 0.051 0.000 2.509 188 Y HA 0.253 4.803 4.550 -0.001 0.000 0.293 188 Y C 2.427 178.234 175.900 -0.155 0.000 1.133 188 Y CA 0.610 58.639 58.100 -0.119 0.000 1.283 188 Y CB -0.396 37.958 38.460 -0.177 0.000 1.001 188 Y HN 0.499 nan 8.280 nan 0.000 0.555 189 R N -0.823 119.615 120.500 -0.104 0.000 2.323 189 R HA 0.034 4.373 4.340 -0.001 0.000 0.198 189 R C -0.384 175.462 176.300 -0.757 0.000 0.988 189 R CA 0.487 56.330 56.100 -0.428 0.000 1.041 189 R CB -0.132 29.690 30.300 -0.796 0.000 0.926 189 R HN 0.214 nan 8.270 nan 0.000 0.476 190 F N 0.345 120.342 119.950 0.078 0.000 2.761 190 F HA 0.216 4.743 4.527 -0.001 0.000 0.367 190 F C -0.135 175.675 175.800 0.017 0.000 1.386 190 F CA -0.966 57.031 58.000 -0.005 0.000 1.177 190 F CB 0.858 39.840 39.000 -0.030 0.000 1.092 190 F HN -0.305 nan 8.300 nan 0.000 0.517 191 V N -3.680 116.363 119.914 0.215 0.000 3.078 191 V HA 0.620 4.740 4.120 -0.001 0.000 0.311 191 V C -0.558 175.688 176.094 0.253 0.000 1.138 191 V CA -0.842 61.564 62.300 0.177 0.000 1.007 191 V CB 2.031 33.994 31.823 0.234 0.000 1.045 191 V HN 0.111 nan 8.190 nan 0.000 0.432 192 H N 0.830 120.021 119.070 0.201 0.000 2.488 192 H HA 0.781 5.336 4.556 -0.001 0.000 0.347 192 H C 0.379 175.412 175.328 -0.492 0.000 1.174 192 H CA 0.415 56.449 56.048 -0.023 0.000 1.307 192 H CB 2.023 31.709 29.762 -0.128 0.000 1.517 192 H HN 1.177 nan 8.280 nan 0.000 0.554 193 G N 0.451 108.705 108.800 -0.909 0.000 2.453 193 G HA2 0.565 4.525 3.960 -0.001 0.000 0.323 193 G HA3 0.565 4.525 3.960 -0.001 0.000 0.323 193 G C -1.492 172.855 174.900 -0.923 0.000 1.198 193 G CA -0.406 43.726 45.100 -1.613 0.000 0.959 193 G HN 0.353 nan 8.290 nan 0.000 0.482 194 F N -0.893 118.949 119.950 -0.181 0.000 2.631 194 F HA 0.506 5.032 4.527 -0.001 0.000 0.308 194 F C 1.117 176.962 175.800 0.075 0.000 1.097 194 F CA -0.457 57.535 58.000 -0.014 0.000 0.952 194 F CB 2.299 41.231 39.000 -0.113 0.000 1.307 194 F HN 0.602 nan 8.300 nan 0.000 0.450 195 G N -0.206 108.813 108.800 0.364 0.000 2.494 195 G HA2 0.220 4.180 3.960 -0.001 0.000 0.216 195 G HA3 0.220 4.180 3.960 -0.001 0.000 0.216 195 G C 0.827 175.887 174.900 0.267 0.000 1.140 195 G CA 0.870 46.227 45.100 0.428 0.000 0.801 195 G HN 0.712 nan 8.290 nan 0.000 0.536 196 S N -0.910 114.838 115.700 0.080 0.000 1.577 196 S HA -0.232 4.237 4.470 -0.001 0.000 0.240 196 S C 0.881 175.372 174.600 -0.182 0.000 0.755 196 S CA 1.302 59.419 58.200 -0.139 0.000 1.398 196 S CB -1.276 61.783 63.200 -0.234 0.000 1.552 196 S HN 0.666 nan 8.310 nan 0.000 0.510 197 H N 1.931 120.995 119.070 -0.011 0.000 2.671 197 H HA 0.350 4.906 4.556 -0.001 0.000 0.372 197 H C 0.450 175.660 175.328 -0.197 0.000 1.227 197 H CA 0.847 56.803 56.048 -0.153 0.000 1.426 197 H CB 0.098 29.654 29.762 -0.342 0.000 1.480 197 H HN 0.362 nan 8.280 nan 0.000 0.611 198 T N 2.313 116.818 114.554 -0.082 0.000 2.817 198 T HA 0.272 4.621 4.350 -0.001 0.000 0.293 198 T C -0.196 174.472 174.700 -0.055 0.000 0.964 198 T CA -0.090 61.947 62.100 -0.106 0.000 1.085 198 T CB 0.148 69.059 68.868 0.072 0.000 0.921 198 T HN 0.306 nan 8.240 nan 0.000 0.502 199 Y N 0.720 121.044 120.300 0.040 0.000 2.833 199 Y HA 0.646 5.196 4.550 -0.001 0.000 0.323 199 Y C 0.794 176.858 175.900 0.273 0.000 1.220 199 Y CA -0.781 57.417 58.100 0.164 0.000 1.174 199 Y CB 1.379 39.910 38.460 0.119 0.000 1.404 199 Y HN 0.680 nan 8.280 nan 0.000 0.607 200 S N -0.253 115.695 115.700 0.413 0.000 2.564 200 S HA 0.716 5.186 4.470 -0.001 0.000 0.274 200 S C -1.761 173.002 174.600 0.272 0.000 1.124 200 S CA -0.737 57.626 58.200 0.273 0.000 0.869 200 S CB 1.807 65.111 63.200 0.173 0.000 1.105 200 S HN 0.271 nan 8.310 nan 0.000 0.472 201 F N 0.992 121.016 119.950 0.123 0.000 2.522 201 F HA 0.697 5.223 4.527 -0.001 0.000 0.324 201 F C -0.434 175.450 175.800 0.140 0.000 1.077 201 F CA -1.980 56.100 58.000 0.133 0.000 0.944 201 F CB 1.863 40.958 39.000 0.157 0.000 1.175 201 F HN 0.498 nan 8.300 nan 0.000 0.468 202 I N 3.512 124.242 120.570 0.267 0.000 2.534 202 I HA 0.192 4.361 4.170 -0.001 0.000 0.288 202 I C -0.447 175.745 176.117 0.125 0.000 1.077 202 I CA -0.834 60.563 61.300 0.162 0.000 1.051 202 I CB 1.491 39.532 38.000 0.069 0.000 1.234 202 I HN 0.544 nan 8.210 nan 0.000 0.425 203 N N 6.251 125.052 118.700 0.168 0.000 2.476 203 N HA 0.262 5.001 4.740 -0.001 0.000 0.287 203 N C 0.698 176.236 175.510 0.045 0.000 1.262 203 N CA -0.643 52.464 53.050 0.096 0.000 0.980 203 N CB 0.593 39.165 38.487 0.142 0.000 1.163 203 N HN 0.561 nan 8.380 nan 0.000 0.592 204 K N -1.778 118.631 120.400 0.015 0.000 2.283 204 K HA -0.030 4.289 4.320 -0.001 0.000 0.202 204 K C -0.269 176.326 176.600 -0.008 0.000 1.048 204 K CA 1.252 57.533 56.287 -0.010 0.000 0.948 204 K CB -0.129 32.356 32.500 -0.024 0.000 0.742 204 K HN 0.374 nan 8.250 nan 0.000 0.458 205 D N 1.405 121.813 120.400 0.014 0.000 2.328 205 D HA 0.022 4.661 4.640 -0.001 0.000 0.221 205 D C -0.348 175.954 176.300 0.002 0.000 1.072 205 D CA 0.107 54.111 54.000 0.007 0.000 0.850 205 D CB -0.024 40.788 40.800 0.020 0.000 0.922 205 D HN 0.241 nan 8.370 nan 0.000 0.516 206 N N 1.455 120.159 118.700 0.007 0.000 2.754 206 N HA -0.169 4.570 4.740 -0.001 0.000 0.248 206 N C -0.708 174.783 175.510 -0.031 0.000 1.093 206 N CA 0.637 53.682 53.050 -0.009 0.000 0.699 206 N CB -0.935 37.538 38.487 -0.023 0.000 1.016 206 N HN 0.484 nan 8.380 nan 0.000 0.552 207 E N 0.655 120.852 120.200 -0.007 0.000 2.216 207 E HA 0.309 4.659 4.350 -0.001 0.000 0.279 207 E C 0.347 176.830 176.600 -0.194 0.000 0.997 207 E CA -0.539 55.784 56.400 -0.128 0.000 0.817 207 E CB 1.914 31.570 29.700 -0.073 0.000 1.096 207 E HN 0.162 nan 8.360 nan 0.000 0.393 208 R N 3.049 123.298 120.500 -0.419 0.000 2.428 208 R HA 0.450 4.789 4.340 -0.001 0.000 0.294 208 R C -1.380 174.467 176.300 -0.754 0.000 1.000 208 R CA -0.301 55.547 56.100 -0.420 0.000 0.960 208 R CB 0.591 30.614 30.300 -0.462 0.000 1.076 208 R HN 0.379 nan 8.270 nan 0.000 0.475 209 F N 2.689 122.500 119.950 -0.233 0.000 2.561 209 F HA 0.371 4.898 4.527 -0.001 0.000 0.313 209 F C -0.859 174.821 175.800 -0.200 0.000 1.126 209 F CA -0.599 57.293 58.000 -0.180 0.000 0.918 209 F CB 1.246 40.268 39.000 0.036 0.000 1.199 209 F HN 0.478 nan 8.300 nan 0.000 0.444 210 W N 3.074 124.513 121.300 0.232 0.000 2.261 210 W HA 0.648 5.307 4.660 -0.001 0.000 0.323 210 W C -0.420 176.206 176.519 0.178 0.000 1.243 210 W CA -0.804 56.683 57.345 0.237 0.000 1.210 210 W CB 1.277 30.923 29.460 0.311 0.000 1.149 210 W HN 0.327 nan 8.180 nan 0.000 0.562 211 V N 3.684 123.705 119.914 0.179 0.000 3.114 211 V HA 0.550 4.669 4.120 -0.001 0.000 0.308 211 V C -1.142 174.602 176.094 -0.583 0.000 1.168 211 V CA -1.152 60.965 62.300 -0.304 0.000 1.015 211 V CB 2.269 33.547 31.823 -0.907 0.000 1.050 211 V HN 0.380 nan 8.190 nan 0.000 0.433 212 K N 3.945 123.945 120.400 -0.667 0.000 2.378 212 K HA 0.546 4.866 4.320 -0.001 0.000 0.252 212 K C -1.649 174.673 176.600 -0.463 0.000 0.931 212 K CA -0.205 55.705 56.287 -0.628 0.000 0.794 212 K CB 1.921 34.071 32.500 -0.584 0.000 1.181 212 K HN 0.531 nan 8.250 nan 0.000 0.425 213 F N 2.366 122.266 119.950 -0.082 0.000 2.420 213 F HA 0.361 4.887 4.527 -0.001 0.000 0.342 213 F C 0.817 176.514 175.800 -0.171 0.000 1.113 213 F CA -0.381 57.583 58.000 -0.059 0.000 1.059 213 F CB 1.013 40.069 39.000 0.093 0.000 1.128 213 F HN 0.257 nan 8.300 nan 0.000 0.475 214 H N 3.490 122.532 119.070 -0.047 0.000 2.589 214 H HA 0.376 4.931 4.556 -0.001 0.000 0.351 214 H C -1.463 173.644 175.328 -0.368 0.000 1.074 214 H CA -0.664 55.310 56.048 -0.125 0.000 1.203 214 H CB 2.092 31.825 29.762 -0.048 0.000 1.558 214 H HN 0.422 nan 8.280 nan 0.000 0.522 215 F N 2.857 122.747 119.950 -0.101 0.000 2.430 215 F HA 0.283 4.809 4.527 -0.001 0.000 0.362 215 F C 0.447 176.330 175.800 0.138 0.000 1.103 215 F CA -0.921 57.144 58.000 0.109 0.000 1.045 215 F CB 0.858 39.915 39.000 0.094 0.000 1.276 215 F HN 0.199 nan 8.300 nan 0.000 0.444 216 R N 1.635 122.317 120.500 0.303 0.000 2.316 216 R HA 0.149 4.488 4.340 -0.001 0.000 0.314 216 R C -0.230 176.308 176.300 0.396 0.000 1.069 216 R CA -0.351 55.913 56.100 0.273 0.000 0.959 216 R CB 0.961 31.325 30.300 0.107 0.000 0.987 216 R HN 0.666 nan 8.270 nan 0.000 0.446 217 C N 3.881 123.474 119.300 0.488 0.000 2.629 217 C HA 0.070 4.530 4.460 -0.001 0.000 0.410 217 C C 1.329 176.213 174.990 -0.177 0.000 1.339 217 C CA -0.256 58.669 59.018 -0.157 0.000 1.810 217 C CB -0.072 27.581 27.740 -0.145 0.000 2.549 217 C HN 0.626 nan 8.230 nan 0.000 0.589 218 Q N 2.921 122.486 119.800 -0.392 0.000 2.360 218 Q HA 0.060 4.400 4.340 -0.001 0.000 0.202 218 Q C 1.185 177.058 176.000 -0.213 0.000 0.915 218 Q CA 0.675 56.339 55.803 -0.232 0.000 0.943 218 Q CB 0.282 28.874 28.738 -0.244 0.000 1.064 218 Q HN 0.810 nan 8.270 nan 0.000 0.511 219 Q N -0.442 119.202 119.800 -0.259 0.000 2.319 219 Q HA 0.332 4.671 4.340 -0.001 0.000 0.209 219 Q C 0.255 176.311 176.000 0.094 0.000 0.884 219 Q CA 0.532 56.278 55.803 -0.096 0.000 0.938 219 Q CB 1.198 29.795 28.738 -0.235 0.000 1.098 219 Q HN 0.348 nan 8.270 nan 0.000 0.517 220 G N 0.500 109.315 108.800 0.026 0.000 2.712 220 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.686 220 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.686 220 G C -0.919 174.028 174.900 0.077 0.000 1.321 220 G CA -0.952 44.177 45.100 0.049 0.000 0.813 220 G HN 0.047 nan 8.290 nan 0.000 0.599 221 I N 1.202 121.773 120.570 0.002 0.000 2.342 221 I HA 0.437 4.606 4.170 -0.001 0.000 0.291 221 I C 0.707 176.810 176.117 -0.024 0.000 1.010 221 I CA 0.061 61.355 61.300 -0.010 0.000 1.308 221 I CB 1.131 39.108 38.000 -0.038 0.000 1.400 221 I HN 0.486 nan 8.210 nan 0.000 0.488 222 K N 5.877 126.263 120.400 -0.023 0.000 2.468 222 K HA 0.520 4.840 4.320 -0.001 0.000 0.252 222 K C -0.950 175.612 176.600 -0.063 0.000 0.932 222 K CA -0.856 55.337 56.287 -0.156 0.000 0.794 222 K CB 2.614 34.805 32.500 -0.515 0.000 1.241 222 K HN 0.474 nan 8.250 nan 0.000 0.428 223 N N 1.944 120.605 118.700 -0.065 0.000 2.509 223 N HA 0.541 5.281 4.740 -0.001 0.000 0.280 223 N C -1.131 174.356 175.510 -0.040 0.000 1.306 223 N CA -0.688 52.348 53.050 -0.024 0.000 0.782 223 N CB 1.613 40.096 38.487 -0.006 0.000 1.493 223 N HN 0.284 nan 8.380 nan 0.000 0.498 224 L N 1.295 122.508 121.223 -0.018 0.000 2.346 224 L HA 0.481 4.820 4.340 -0.001 0.000 0.276 224 L C -0.029 176.834 176.870 -0.010 0.000 1.006 224 L CA -0.789 54.039 54.840 -0.020 0.000 0.817 224 L CB 1.536 43.589 42.059 -0.010 0.000 1.272 224 L HN 0.271 nan 8.230 nan 0.000 0.421 225 M N 1.135 120.726 119.600 -0.015 0.000 2.247 225 M HA 0.108 4.588 4.480 -0.001 0.000 0.326 225 M C 1.115 177.415 176.300 0.000 0.000 1.134 225 M CA 0.061 55.355 55.300 -0.010 0.000 1.136 225 M CB 0.601 33.190 32.600 -0.018 0.000 1.454 225 M HN 0.565 nan 8.290 nan 0.000 0.467 226 D N 1.233 121.637 120.400 0.007 0.000 2.116 226 D HA -0.217 4.422 4.640 -0.001 0.000 0.193 226 D C 1.174 177.482 176.300 0.013 0.000 0.998 226 D CA 1.987 55.997 54.000 0.017 0.000 0.836 226 D CB -0.048 40.765 40.800 0.023 0.000 0.951 226 D HN 0.640 nan 8.370 nan 0.000 0.449 227 D N 1.197 121.601 120.400 0.007 0.000 2.144 227 D HA -0.176 4.464 4.640 -0.001 0.000 0.200 227 D C 1.591 177.892 176.300 0.002 0.000 0.978 227 D CA 0.890 54.893 54.000 0.005 0.000 0.833 227 D CB -0.602 40.199 40.800 0.001 0.000 0.961 227 D HN 0.345 nan 8.370 nan 0.000 0.470 228 E N 0.846 121.045 120.200 -0.002 0.000 2.107 228 E HA -0.017 4.333 4.350 -0.001 0.000 0.191 228 E C 2.286 178.886 176.600 -0.000 0.000 0.982 228 E CA 0.943 57.340 56.400 -0.005 0.000 0.809 228 E CB -0.098 29.595 29.700 -0.013 0.000 0.756 228 E HN 0.393 nan 8.360 nan 0.000 0.459 229 A N 1.605 124.428 122.820 0.004 0.000 1.898 229 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 229 A C 1.977 179.569 177.584 0.013 0.000 1.181 229 A CA 1.190 53.233 52.037 0.010 0.000 0.620 229 A CB -0.307 18.703 19.000 0.017 0.000 0.819 229 A HN 0.120 nan 8.150 nan 0.000 0.442 230 E N -0.259 119.950 120.200 0.014 0.000 2.058 230 E HA -0.178 4.172 4.350 -0.001 0.000 0.194 230 E C 2.368 178.975 176.600 0.012 0.000 0.997 230 E CA 1.058 57.467 56.400 0.016 0.000 0.801 230 E CB -0.292 29.418 29.700 0.016 0.000 0.746 230 E HN 0.599 nan 8.360 nan 0.000 0.450 231 A N 1.158 123.983 122.820 0.009 0.000 1.908 231 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 231 A C 2.149 179.737 177.584 0.008 0.000 1.181 231 A CA 1.222 53.263 52.037 0.007 0.000 0.627 231 A CB -0.534 18.469 19.000 0.004 0.000 0.818 231 A HN 0.234 nan 8.150 nan 0.000 0.445 232 L N -0.186 121.041 121.223 0.008 0.000 2.027 232 L HA -0.071 4.269 4.340 -0.001 0.000 0.206 232 L C 2.395 179.272 176.870 0.012 0.000 1.074 232 L CA 1.853 56.698 54.840 0.009 0.000 0.745 232 L CB -0.593 41.469 42.059 0.007 0.000 0.898 232 L HN 0.143 nan 8.230 nan 0.000 0.433 233 V N 0.277 120.199 119.914 0.013 0.000 2.332 233 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 233 V C 2.611 178.714 176.094 0.015 0.000 1.055 233 V CA 1.832 64.142 62.300 0.017 0.000 1.038 233 V CB -1.667 30.168 31.823 0.020 0.000 0.651 233 V HN 0.639 nan 8.190 nan 0.000 0.450 234 G N -0.682 108.126 108.800 0.014 0.000 2.479 234 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.220 234 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.220 234 G C 1.642 176.549 174.900 0.011 0.000 1.115 234 G CA 0.781 45.888 45.100 0.013 0.000 0.757 234 G HN 0.515 nan 8.290 nan 0.000 0.560 235 K N -1.071 119.335 120.400 0.011 0.000 2.335 235 K HA 0.139 4.459 4.320 -0.001 0.000 0.195 235 K C -0.442 176.165 176.600 0.012 0.000 1.058 235 K CA 0.242 56.535 56.287 0.011 0.000 0.988 235 K CB 0.686 33.193 32.500 0.010 0.000 0.880 235 K HN 0.183 nan 8.250 nan 0.000 0.513 236 D N -0.533 119.875 120.400 0.013 0.000 2.861 236 D HA 0.188 4.828 4.640 -0.001 0.000 0.216 236 D C -0.390 175.919 176.300 0.015 0.000 1.323 236 D CA -0.313 53.695 54.000 0.013 0.000 0.917 236 D CB 1.287 42.096 40.800 0.015 0.000 1.582 236 D HN -0.291 nan 8.370 nan 0.000 0.576 237 R N 1.256 121.765 120.500 0.015 0.000 2.317 237 R HA 0.219 4.558 4.340 -0.001 0.000 0.208 237 R C 0.229 176.543 176.300 0.024 0.000 0.914 237 R CA 0.528 56.640 56.100 0.020 0.000 1.060 237 R CB 0.445 30.758 30.300 0.021 0.000 1.015 237 R HN 0.312 nan 8.270 nan 0.000 0.498 238 E N -0.805 119.406 120.200 0.019 0.000 2.815 238 E HA 0.102 4.452 4.350 -0.001 0.000 0.211 238 E C 0.463 177.081 176.600 0.031 0.000 1.004 238 E CA 0.091 56.506 56.400 0.025 0.000 1.173 238 E CB 0.768 30.471 29.700 0.004 0.000 1.163 238 E HN 0.168 nan 8.360 nan 0.000 0.449 239 S N -0.319 115.394 115.700 0.022 0.000 2.368 239 S HA -0.135 4.335 4.470 -0.001 0.000 0.225 239 S C 2.020 176.631 174.600 0.018 0.000 1.030 239 S CA 1.210 59.422 58.200 0.021 0.000 0.999 239 S CB -0.101 63.105 63.200 0.009 0.000 0.844 239 S HN 0.097 nan 8.310 nan 0.000 0.459 240 S N 1.664 117.345 115.700 -0.032 0.000 2.371 240 S HA -0.083 4.386 4.470 -0.001 0.000 0.224 240 S C 2.074 176.736 174.600 0.104 0.000 1.029 240 S CA 1.288 59.418 58.200 -0.116 0.000 0.978 240 S CB -0.472 62.404 63.200 -0.540 0.000 0.833 240 S HN 0.658 nan 8.310 nan 0.000 0.466 241 Q N 2.025 121.925 119.800 0.168 0.000 2.079 241 Q HA 0.003 4.342 4.340 -0.001 0.000 0.200 241 Q C 2.066 178.197 176.000 0.217 0.000 0.974 241 Q CA 1.579 57.524 55.803 0.236 0.000 0.840 241 Q CB -0.323 28.508 28.738 0.155 0.000 0.898 241 Q HN 0.433 nan 8.270 nan 0.000 0.430 242 R N 0.135 120.720 120.500 0.143 0.000 2.081 242 R HA -0.157 4.183 4.340 -0.001 0.000 0.235 242 R C 2.037 178.456 176.300 0.197 0.000 1.131 242 R CA 1.752 57.940 56.100 0.147 0.000 0.960 242 R CB -0.495 29.858 30.300 0.087 0.000 0.856 242 R HN 0.557 nan 8.270 nan 0.000 0.436 243 D N 0.146 120.645 120.400 0.165 0.000 2.097 243 D HA -0.194 4.446 4.640 -0.001 0.000 0.195 243 D C 1.929 178.348 176.300 0.198 0.000 0.989 243 D CA 1.169 55.268 54.000 0.165 0.000 0.827 243 D CB 0.090 40.974 40.800 0.140 0.000 0.966 243 D HN 0.217 nan 8.370 nan 0.000 0.456 244 L N 0.105 121.475 121.223 0.244 0.000 2.027 244 L HA -0.064 4.275 4.340 -0.001 0.000 0.206 244 L C 2.318 179.348 176.870 0.267 0.000 1.074 244 L CA 1.444 56.448 54.840 0.273 0.000 0.745 244 L CB -1.114 41.167 42.059 0.371 0.000 0.898 244 L HN 0.050 nan 8.230 nan 0.000 0.433 245 F N 0.638 120.691 119.950 0.171 0.000 2.075 245 F HA -0.208 4.319 4.527 -0.001 0.000 0.297 245 F C 2.377 178.262 175.800 0.141 0.000 1.113 245 F CA 2.081 60.176 58.000 0.157 0.000 1.218 245 F CB -0.158 38.927 39.000 0.143 0.000 0.984 245 F HN 0.207 nan 8.300 nan 0.000 0.472 246 E N -0.004 120.397 120.200 0.335 0.000 2.204 246 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 246 E C 2.290 178.954 176.600 0.106 0.000 0.989 246 E CA 0.742 57.273 56.400 0.218 0.000 0.824 246 E CB -0.328 29.503 29.700 0.217 0.000 0.756 246 E HN 0.513 nan 8.360 nan 0.000 0.477 247 A N 1.380 124.268 122.820 0.113 0.000 1.873 247 A HA -0.143 4.176 4.320 -0.001 0.000 0.215 247 A C 2.164 179.795 177.584 0.078 0.000 1.186 247 A CA 0.964 53.052 52.037 0.085 0.000 0.616 247 A CB -0.488 18.568 19.000 0.094 0.000 0.823 247 A HN 0.115 nan 8.150 nan 0.000 0.442 248 I N -0.641 119.991 120.570 0.104 0.000 2.315 248 I HA -0.220 3.950 4.170 -0.001 0.000 0.248 248 I C 2.527 178.712 176.117 0.112 0.000 1.117 248 I CA 1.604 63.023 61.300 0.197 0.000 1.404 248 I CB -0.313 37.756 38.000 0.115 0.000 1.071 248 I HN 0.540 nan 8.210 nan 0.000 0.419 249 E N 1.908 122.071 120.200 -0.061 0.000 2.110 249 E HA -0.247 4.103 4.350 -0.001 0.000 0.193 249 E C 2.101 178.703 176.600 0.003 0.000 0.988 249 E CA 1.150 57.503 56.400 -0.079 0.000 0.804 249 E CB 0.065 29.693 29.700 -0.120 0.000 0.745 249 E HN 0.515 nan 8.360 nan 0.000 0.458 250 R N -1.036 119.465 120.500 0.002 0.000 2.317 250 R HA 0.186 4.525 4.340 -0.001 0.000 0.208 250 R C 1.126 177.370 176.300 -0.093 0.000 0.914 250 R CA 0.660 56.749 56.100 -0.018 0.000 1.060 250 R CB 0.216 30.514 30.300 -0.003 0.000 1.015 250 R HN 0.161 nan 8.270 nan 0.000 0.498 251 G N 1.303 110.010 108.800 -0.156 0.000 2.136 251 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.242 251 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.242 251 G C -0.564 173.921 174.900 -0.691 0.000 0.989 251 G CA 0.212 44.990 45.100 -0.537 0.000 0.682 251 G HN 0.469 nan 8.290 nan 0.000 0.522 252 D N 0.650 120.856 120.400 -0.323 0.000 2.564 252 D HA 0.422 5.062 4.640 -0.001 0.000 0.226 252 D C 0.087 176.362 176.300 -0.042 0.000 1.149 252 D CA -0.653 53.236 54.000 -0.184 0.000 0.994 252 D CB -0.350 40.412 40.800 -0.065 0.000 1.029 252 D HN 0.218 nan 8.370 nan 0.000 0.517 253 Y N 2.961 123.264 120.300 0.005 0.000 2.436 253 Y HA 0.249 4.798 4.550 -0.001 0.000 0.336 253 Y C -1.508 174.378 175.900 -0.024 0.000 1.049 253 Y CA -3.025 55.090 58.100 0.025 0.000 1.294 253 Y CB -0.178 38.316 38.460 0.058 0.000 1.179 253 Y HN 0.250 nan 8.280 nan 0.000 0.520 254 P HA 0.308 nan 4.420 nan 0.000 0.275 254 P C -0.504 176.709 177.300 -0.145 0.000 1.228 254 P CA -0.511 62.509 63.100 -0.134 0.000 0.786 254 P CB 1.672 33.314 31.700 -0.096 0.000 0.927 255 R N 2.037 122.252 120.500 -0.475 0.000 2.771 255 R HA 0.571 4.911 4.340 -0.001 0.000 0.274 255 R C -1.543 174.416 176.300 -0.568 0.000 0.987 255 R CA -0.645 55.275 56.100 -0.301 0.000 0.908 255 R CB 1.754 31.956 30.300 -0.163 0.000 1.213 255 R HN 0.534 nan 8.270 nan 0.000 0.468 256 W N 2.396 123.521 121.300 -0.292 0.000 3.138 256 W HA 0.392 5.051 4.660 -0.001 0.000 0.331 256 W C -0.762 175.853 176.519 0.160 0.000 1.166 256 W CA -0.747 56.571 57.345 -0.046 0.000 1.212 256 W CB 2.373 31.861 29.460 0.047 0.000 1.399 256 W HN 0.354 nan 8.180 nan 0.000 0.514 257 K N 2.412 123.055 120.400 0.405 0.000 2.185 257 K HA 0.394 4.713 4.320 -0.001 0.000 0.269 257 K C -0.572 176.230 176.600 0.337 0.000 0.987 257 K CA -0.964 55.542 56.287 0.365 0.000 0.865 257 K CB 2.018 34.643 32.500 0.209 0.000 1.090 257 K HN 0.188 nan 8.250 nan 0.000 0.450 258 L N 3.226 124.650 121.223 0.335 0.000 2.276 258 L HA 0.232 4.571 4.340 -0.001 0.000 0.286 258 L C -0.881 176.014 176.870 0.042 0.000 1.061 258 L CA 0.546 55.404 54.840 0.031 0.000 0.807 258 L CB 0.821 43.006 42.059 0.210 0.000 1.177 258 L HN 0.581 nan 8.230 nan 0.000 0.429 259 Q N 5.518 125.296 119.800 -0.038 0.000 2.423 259 Q HA 0.726 5.066 4.340 -0.001 0.000 0.278 259 Q C -1.160 174.851 176.000 0.018 0.000 1.097 259 Q CA -0.799 54.990 55.803 -0.023 0.000 0.809 259 Q CB 2.959 31.655 28.738 -0.071 0.000 1.391 259 Q HN 0.781 nan 8.270 nan 0.000 0.428 260 I N -2.488 118.077 120.570 -0.009 0.000 3.042 260 I HA 0.559 4.729 4.170 -0.001 0.000 0.310 260 I C -1.226 174.858 176.117 -0.055 0.000 1.117 260 I CA -1.142 60.158 61.300 0.000 0.000 1.003 260 I CB 2.370 40.353 38.000 -0.027 0.000 1.228 260 I HN 0.455 nan 8.210 nan 0.000 0.443 261 Q N 2.444 122.221 119.800 -0.038 0.000 2.330 261 Q HA 0.615 4.955 4.340 -0.001 0.000 0.269 261 Q C -1.572 174.480 176.000 0.087 0.000 1.022 261 Q CA -0.746 55.099 55.803 0.070 0.000 0.796 261 Q CB 3.118 31.975 28.738 0.199 0.000 1.271 261 Q HN 0.514 nan 8.270 nan 0.000 0.450 262 I N 2.552 123.159 120.570 0.061 0.000 2.474 262 I HA 0.429 4.599 4.170 -0.001 0.000 0.294 262 I C -0.793 175.396 176.117 0.120 0.000 1.005 262 I CA -0.375 60.909 61.300 -0.026 0.000 1.113 262 I CB 1.820 39.501 38.000 -0.531 0.000 1.289 262 I HN 0.605 nan 8.210 nan 0.000 0.436 263 M N 8.741 128.407 119.600 0.109 0.000 2.106 263 M HA 0.539 5.019 4.480 -0.001 0.000 0.288 263 M C -2.709 173.693 176.300 0.170 0.000 0.941 263 M CA -1.597 53.689 55.300 -0.023 0.000 0.934 263 M CB 1.867 34.070 32.600 -0.662 0.000 1.551 263 M HN 0.187 nan 8.290 nan 0.000 0.437 264 P HA -0.032 nan 4.420 nan 0.000 0.264 264 P C 0.223 177.497 177.300 -0.044 0.000 1.183 264 P CA 0.448 63.592 63.100 0.074 0.000 0.763 264 P CB 0.524 32.291 31.700 0.112 0.000 0.807 265 E N 4.563 124.589 120.200 -0.290 0.000 2.108 265 E HA -0.342 4.007 4.350 -0.001 0.000 0.203 265 E C 1.478 178.105 176.600 0.046 0.000 1.022 265 E CA 2.064 58.304 56.400 -0.267 0.000 0.823 265 E CB -0.028 29.416 29.700 -0.427 0.000 0.744 265 E HN 0.470 nan 8.360 nan 0.000 0.456 266 K N 0.019 120.405 120.400 -0.023 0.000 2.209 266 K HA -0.152 4.168 4.320 -0.001 0.000 0.204 266 K C 1.622 178.241 176.600 0.032 0.000 1.048 266 K CA 1.625 57.919 56.287 0.012 0.000 0.940 266 K CB -0.132 32.356 32.500 -0.018 0.000 0.729 266 K HN 0.187 nan 8.250 nan 0.000 0.451 267 E N 0.654 120.877 120.200 0.038 0.000 2.478 267 E HA -0.033 4.316 4.350 -0.001 0.000 0.198 267 E C 1.777 178.349 176.600 -0.047 0.000 1.046 267 E CA 0.455 56.860 56.400 0.009 0.000 0.870 267 E CB 0.056 29.783 29.700 0.045 0.000 0.818 267 E HN 0.519 nan 8.360 nan 0.000 0.527 268 A N 1.306 124.142 122.820 0.027 0.000 2.067 268 A HA -0.106 4.213 4.320 -0.001 0.000 0.219 268 A C 2.156 179.665 177.584 -0.125 0.000 1.158 268 A CA 1.339 53.323 52.037 -0.088 0.000 0.661 268 A CB -0.105 18.969 19.000 0.123 0.000 0.801 268 A HN 0.246 nan 8.150 nan 0.000 0.452 269 S N -1.487 114.183 115.700 -0.049 0.000 2.557 269 S HA 0.054 4.524 4.470 -0.001 0.000 0.223 269 S C 1.180 175.724 174.600 -0.093 0.000 0.969 269 S CA 0.733 58.896 58.200 -0.061 0.000 0.927 269 S CB -0.405 62.788 63.200 -0.012 0.000 0.806 269 S HN 0.650 nan 8.310 nan 0.000 0.489 270 T N -0.807 113.674 114.554 -0.121 0.000 2.971 270 T HA 0.290 4.640 4.350 -0.001 0.000 0.252 270 T C 0.534 175.126 174.700 -0.179 0.000 1.022 270 T CA 0.334 62.366 62.100 -0.113 0.000 0.980 270 T CB -0.503 68.320 68.868 -0.075 0.000 1.044 270 T HN 0.413 nan 8.240 nan 0.000 0.501 271 V N 1.026 120.755 119.914 -0.309 0.000 2.649 271 V HA 0.503 4.623 4.120 -0.001 0.000 0.292 271 V C -1.557 174.245 176.094 -0.487 0.000 1.055 271 V CA -1.907 60.081 62.300 -0.520 0.000 1.023 271 V CB 0.769 31.976 31.823 -1.026 0.000 0.992 271 V HN 0.083 nan 8.190 nan 0.000 0.480 272 P HA 0.179 nan 4.420 nan 0.000 0.258 272 P C -0.737 176.556 177.300 -0.011 0.000 1.403 272 P CA 0.439 63.472 63.100 -0.112 0.000 0.826 272 P CB -0.682 31.029 31.700 0.019 0.000 1.414 273 Y N -3.361 116.903 120.300 -0.061 0.000 2.655 273 Y HA 0.586 5.136 4.550 -0.001 0.000 0.336 273 Y C -0.507 175.336 175.900 -0.095 0.000 1.154 273 Y CA -2.056 56.009 58.100 -0.058 0.000 1.055 273 Y CB -0.055 38.384 38.460 -0.034 0.000 1.295 273 Y HN -0.353 nan 8.280 nan 0.000 0.465 274 N N 3.380 122.155 118.700 0.125 0.000 2.401 274 N HA 0.273 5.012 4.740 -0.001 0.000 0.255 274 N C -1.966 173.568 175.510 0.040 0.000 1.110 274 N CA -2.633 50.428 53.050 0.019 0.000 0.949 274 N CB 0.947 39.475 38.487 0.070 0.000 1.110 274 N HN 0.569 nan 8.380 nan 0.000 0.490 275 P HA 0.053 nan 4.420 nan 0.000 0.245 275 P C -0.408 176.674 177.300 -0.363 0.000 1.212 275 P CA 0.471 63.425 63.100 -0.244 0.000 0.774 275 P CB -0.109 31.145 31.700 -0.743 0.000 0.999 276 F N -0.385 119.584 119.950 0.032 0.000 2.791 276 F HA 0.312 4.838 4.527 -0.001 0.000 0.308 276 F C 0.540 176.339 175.800 -0.001 0.000 1.138 276 F CA -1.219 56.749 58.000 -0.053 0.000 1.294 276 F CB -0.033 38.864 39.000 -0.172 0.000 0.975 276 F HN -0.184 nan 8.300 nan 0.000 0.512 277 D N 1.317 121.800 120.400 0.139 0.000 2.317 277 D HA 0.113 4.752 4.640 -0.001 0.000 0.234 277 D C 0.973 177.321 176.300 0.081 0.000 1.112 277 D CA -0.137 53.927 54.000 0.108 0.000 0.840 277 D CB 1.575 42.433 40.800 0.097 0.000 1.078 277 D HN 0.178 nan 8.370 nan 0.000 0.486 278 L N 4.041 125.316 121.223 0.085 0.000 2.465 278 L HA -0.018 4.321 4.340 -0.001 0.000 0.224 278 L C 1.821 178.707 176.870 0.026 0.000 1.145 278 L CA 1.516 56.385 54.840 0.049 0.000 0.834 278 L CB -0.475 41.645 42.059 0.101 0.000 0.944 278 L HN 0.560 nan 8.230 nan 0.000 0.451 279 T N -4.191 110.399 114.554 0.060 0.000 3.163 279 T HA 0.229 4.579 4.350 -0.001 0.000 0.252 279 T C 0.586 175.381 174.700 0.159 0.000 1.056 279 T CA -0.294 61.851 62.100 0.075 0.000 0.947 279 T CB -0.098 68.834 68.868 0.108 0.000 1.016 279 T HN 0.181 nan 8.240 nan 0.000 0.554 280 K N 0.717 121.175 120.400 0.097 0.000 2.480 280 K HA 0.707 5.027 4.320 -0.001 0.000 0.258 280 K C -1.025 175.605 176.600 0.051 0.000 0.990 280 K CA -1.086 55.274 56.287 0.122 0.000 0.857 280 K CB 2.922 35.466 32.500 0.074 0.000 1.384 280 K HN 0.112 nan 8.250 nan 0.000 0.446 281 V N -2.388 117.571 119.914 0.074 0.000 3.074 281 V HA 0.628 4.747 4.120 -0.001 0.000 0.314 281 V C -1.317 174.877 176.094 0.166 0.000 1.117 281 V CA -0.999 61.328 62.300 0.045 0.000 1.014 281 V CB 1.389 33.258 31.823 0.076 0.000 1.057 281 V HN 0.626 nan 8.190 nan 0.000 0.438 282 W N 0.813 122.123 121.300 0.017 0.000 2.376 282 W HA 0.628 5.288 4.660 -0.001 0.000 0.322 282 W C -2.431 174.179 176.519 0.152 0.000 1.160 282 W CA -2.565 54.798 57.345 0.030 0.000 1.218 282 W CB -0.060 29.432 29.460 0.054 0.000 1.205 282 W HN 0.410 nan 8.180 nan 0.000 0.559 283 P HA -0.022 nan 4.420 nan 0.000 0.267 283 P C 0.551 178.084 177.300 0.389 0.000 1.205 283 P CA 0.430 63.689 63.100 0.266 0.000 0.765 283 P CB 0.655 32.441 31.700 0.142 0.000 0.828 284 H N 2.392 121.545 119.070 0.138 0.000 2.462 284 H HA -0.018 4.538 4.556 -0.001 0.000 0.292 284 H C 1.921 177.287 175.328 0.062 0.000 1.049 284 H CA 1.573 57.688 56.048 0.111 0.000 1.334 284 H CB -0.582 29.218 29.762 0.063 0.000 1.404 284 H HN 0.436 nan 8.280 nan 0.000 0.544 285 A N 0.321 123.239 122.820 0.163 0.000 2.015 285 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 285 A C 1.446 179.022 177.584 -0.014 0.000 1.163 285 A CA 1.896 53.971 52.037 0.064 0.000 0.646 285 A CB 0.033 19.061 19.000 0.046 0.000 0.806 285 A HN 0.290 nan 8.150 nan 0.000 0.448 286 D N -2.661 117.710 120.400 -0.048 0.000 2.380 286 D HA 0.145 4.785 4.640 -0.001 0.000 0.212 286 D C -0.677 175.268 176.300 -0.592 0.000 1.021 286 D CA 0.728 54.538 54.000 -0.318 0.000 0.884 286 D CB 0.131 40.724 40.800 -0.344 0.000 1.001 286 D HN 0.465 nan 8.370 nan 0.000 0.506 287 Y N 1.286 121.629 120.300 0.072 0.000 2.594 287 Y HA 0.300 4.849 4.550 -0.001 0.000 0.338 287 Y C -2.276 173.616 175.900 -0.014 0.000 1.019 287 Y CA -2.426 55.711 58.100 0.062 0.000 1.306 287 Y CB 1.681 40.244 38.460 0.172 0.000 1.094 287 Y HN -0.176 nan 8.280 nan 0.000 0.534 288 P HA 0.124 nan 4.420 nan 0.000 0.274 288 P C -0.654 176.590 177.300 -0.094 0.000 1.231 288 P CA -0.350 62.723 63.100 -0.046 0.000 0.790 288 P CB 1.638 33.327 31.700 -0.018 0.000 0.951 289 L N 2.424 123.533 121.223 -0.190 0.000 2.326 289 L HA 0.349 4.689 4.340 -0.001 0.000 0.278 289 L C 0.879 177.677 176.870 -0.121 0.000 1.092 289 L CA 0.497 55.209 54.840 -0.214 0.000 0.810 289 L CB -0.009 41.858 42.059 -0.320 0.000 1.153 289 L HN 0.329 nan 8.230 nan 0.000 0.439 290 M N 2.097 121.638 119.600 -0.098 0.000 2.456 290 M HA 0.375 4.855 4.480 -0.001 0.000 0.324 290 M C -0.742 175.488 176.300 -0.117 0.000 1.124 290 M CA -0.845 54.402 55.300 -0.088 0.000 0.959 290 M CB 1.852 34.438 32.600 -0.025 0.000 1.692 290 M HN 0.443 nan 8.290 nan 0.000 0.444 291 D N 1.154 121.413 120.400 -0.234 0.000 2.362 291 D HA 0.221 4.861 4.640 -0.001 0.000 0.242 291 D C 0.329 176.545 176.300 -0.140 0.000 1.132 291 D CA 0.119 53.959 54.000 -0.268 0.000 0.907 291 D CB 2.033 42.461 40.800 -0.620 0.000 1.195 291 D HN 0.312 nan 8.370 nan 0.000 0.429 292 V N -0.084 119.870 119.914 0.066 0.000 3.279 292 V HA 0.433 4.553 4.120 -0.001 0.000 0.213 292 V C 0.798 177.064 176.094 0.287 0.000 1.335 292 V CA 0.704 63.098 62.300 0.157 0.000 1.317 292 V CB 0.554 32.430 31.823 0.088 0.000 1.209 292 V HN 0.752 nan 8.190 nan 0.000 0.525 293 G N -0.541 108.439 108.800 0.300 0.000 2.428 293 G HA2 0.514 4.473 3.960 -0.001 0.000 0.305 293 G HA3 0.514 4.473 3.960 -0.001 0.000 0.305 293 G C -2.051 172.980 174.900 0.218 0.000 1.260 293 G CA 0.138 45.301 45.100 0.105 0.000 0.853 293 G HN 0.540 nan 8.290 nan 0.000 0.480 294 Y N -1.424 118.823 120.300 -0.089 0.000 2.655 294 Y HA 0.854 5.404 4.550 -0.001 0.000 0.336 294 Y C -1.207 174.868 175.900 0.290 0.000 1.154 294 Y CA -2.292 55.930 58.100 0.203 0.000 1.055 294 Y CB 1.522 40.050 38.460 0.113 0.000 1.295 294 Y HN 1.211 nan 8.280 nan 0.000 0.465 295 F N -0.092 120.254 119.950 0.659 0.000 2.588 295 F HA 0.856 5.382 4.527 -0.001 0.000 0.310 295 F C -1.432 174.721 175.800 0.588 0.000 1.082 295 F CA -1.136 57.217 58.000 0.587 0.000 0.929 295 F CB 2.303 41.738 39.000 0.725 0.000 1.254 295 F HN 0.742 nan 8.300 nan 0.000 0.455 296 E N 3.735 124.262 120.200 0.546 0.000 2.314 296 E HA 0.600 4.949 4.350 -0.001 0.000 0.272 296 E C -1.961 174.862 176.600 0.372 0.000 0.884 296 E CA -1.063 55.558 56.400 0.368 0.000 0.753 296 E CB 2.579 32.458 29.700 0.298 0.000 1.213 296 E HN 0.822 nan 8.360 nan 0.000 0.432 297 L N 3.329 124.750 121.223 0.331 0.000 2.265 297 L HA 0.338 4.677 4.340 -0.001 0.000 0.288 297 L C -0.112 176.732 176.870 -0.043 0.000 1.058 297 L CA -0.636 54.319 54.840 0.192 0.000 0.809 297 L CB 0.269 42.474 42.059 0.242 0.000 1.179 297 L HN 0.701 nan 8.230 nan 0.000 0.429 298 N N 2.199 120.745 118.700 -0.256 0.000 2.240 298 N HA 0.151 4.891 4.740 -0.001 0.000 0.240 298 N C -0.162 175.072 175.510 -0.459 0.000 1.277 298 N CA -0.606 51.881 53.050 -0.939 0.000 0.873 298 N CB 0.681 38.514 38.487 -1.090 0.000 1.222 298 N HN 0.521 nan 8.380 nan 0.000 0.507 299 R N 0.185 120.623 120.500 -0.104 0.000 2.523 299 R HA 0.305 4.644 4.340 -0.001 0.000 0.278 299 R C -1.692 174.695 176.300 0.145 0.000 1.150 299 R CA -0.452 55.663 56.100 0.024 0.000 0.987 299 R CB 0.864 31.195 30.300 0.052 0.000 1.232 299 R HN 0.135 nan 8.270 nan 0.000 0.424 300 N N 4.398 123.149 118.700 0.085 0.000 2.530 300 N HA 0.232 4.972 4.740 -0.001 0.000 0.273 300 N C -2.403 173.282 175.510 0.291 0.000 1.173 300 N CA -1.264 51.867 53.050 0.135 0.000 0.967 300 N CB 0.967 39.397 38.487 -0.096 0.000 1.109 300 N HN 0.310 nan 8.380 nan 0.000 0.453 301 P HA 0.003 nan 4.420 nan 0.000 0.269 301 P C -0.133 177.356 177.300 0.315 0.000 1.215 301 P CA -0.069 63.311 63.100 0.466 0.000 0.780 301 P CB 0.674 32.617 31.700 0.404 0.000 0.898 302 D N -0.127 120.408 120.400 0.223 0.000 2.123 302 D HA -0.060 4.580 4.640 -0.001 0.000 0.200 302 D C 0.447 176.858 176.300 0.185 0.000 0.976 302 D CA 1.598 55.697 54.000 0.163 0.000 0.831 302 D CB 0.005 40.854 40.800 0.082 0.000 0.974 302 D HN 0.344 nan 8.370 nan 0.000 0.469 303 N N -0.705 118.106 118.700 0.184 0.000 2.430 303 N HA -0.030 4.709 4.740 -0.001 0.000 0.290 303 N C -0.082 175.556 175.510 0.214 0.000 1.063 303 N CA -0.338 52.830 53.050 0.197 0.000 0.883 303 N CB 1.472 40.053 38.487 0.157 0.000 1.465 303 N HN -0.141 nan 8.380 nan 0.000 0.493 304 Y N 4.436 124.831 120.300 0.158 0.000 2.114 304 Y HA -0.194 4.355 4.550 -0.001 0.000 0.284 304 Y C 1.808 177.786 175.900 0.129 0.000 1.143 304 Y CA 1.776 59.965 58.100 0.147 0.000 1.135 304 Y CB -0.189 38.354 38.460 0.138 0.000 0.980 304 Y HN 0.668 nan 8.280 nan 0.000 0.499 305 F N 0.147 120.208 119.950 0.184 0.000 2.102 305 F HA -0.202 4.324 4.527 -0.001 0.000 0.298 305 F C 2.438 178.214 175.800 -0.040 0.000 1.105 305 F CA 2.133 60.180 58.000 0.079 0.000 1.239 305 F CB -0.770 38.292 39.000 0.104 0.000 0.991 305 F HN -0.022 nan 8.300 nan 0.000 0.474 306 S N -0.149 115.558 115.700 0.013 0.000 2.368 306 S HA -0.155 4.314 4.470 -0.001 0.000 0.224 306 S C 1.511 175.974 174.600 -0.229 0.000 1.029 306 S CA 1.470 59.604 58.200 -0.109 0.000 0.988 306 S CB -0.285 62.942 63.200 0.045 0.000 0.838 306 S HN 0.486 nan 8.310 nan 0.000 0.462 307 D N -0.059 120.227 120.400 -0.190 0.000 2.338 307 D HA 0.141 4.780 4.640 -0.001 0.000 0.208 307 D C 1.698 177.734 176.300 -0.440 0.000 0.997 307 D CA 0.560 54.390 54.000 -0.284 0.000 0.880 307 D CB 0.314 41.078 40.800 -0.059 0.000 0.980 307 D HN 0.259 nan 8.370 nan 0.000 0.509 308 V N 0.514 120.178 119.914 -0.417 0.000 2.743 308 V HA -0.028 4.091 4.120 -0.001 0.000 0.237 308 V C 2.238 178.067 176.094 -0.441 0.000 1.113 308 V CA 0.540 62.588 62.300 -0.419 0.000 1.141 308 V CB -0.015 31.349 31.823 -0.765 0.000 0.873 308 V HN -0.071 nan 8.190 nan 0.000 0.486 309 E N 1.032 120.898 120.200 -0.557 0.000 2.077 309 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 309 E C 2.085 178.456 176.600 -0.382 0.000 0.989 309 E CA 1.608 57.806 56.400 -0.338 0.000 0.800 309 E CB -0.183 29.404 29.700 -0.189 0.000 0.746 309 E HN 0.623 nan 8.360 nan 0.000 0.452 310 Q N -0.326 119.148 119.800 -0.544 0.000 2.403 310 Q HA 0.262 4.601 4.340 -0.001 0.000 0.203 310 Q C -0.196 175.567 176.000 -0.394 0.000 0.932 310 Q CA 0.126 55.639 55.803 -0.484 0.000 0.945 310 Q CB 0.546 28.949 28.738 -0.558 0.000 1.045 310 Q HN 0.207 nan 8.270 nan 0.000 0.511 311 A N 1.042 123.638 122.820 -0.373 0.000 2.462 311 A HA 0.498 4.817 4.320 -0.001 0.000 0.243 311 A C -0.175 177.165 177.584 -0.407 0.000 1.076 311 A CA 0.096 51.873 52.037 -0.433 0.000 0.773 311 A CB 0.322 19.133 19.000 -0.315 0.000 1.010 311 A HN 0.268 nan 8.150 nan 0.000 0.493 312 A N 2.217 124.673 122.820 -0.607 0.000 2.332 312 A HA 0.713 5.033 4.320 -0.001 0.000 0.300 312 A C -0.919 176.310 177.584 -0.592 0.000 1.153 312 A CA -0.379 51.219 52.037 -0.732 0.000 0.764 312 A CB 0.369 18.671 19.000 -1.164 0.000 1.174 312 A HN 0.635 nan 8.150 nan 0.000 0.467 313 F N 1.217 121.113 119.950 -0.090 0.000 2.492 313 F HA 0.781 5.308 4.527 -0.001 0.000 0.327 313 F C 0.755 176.678 175.800 0.205 0.000 1.079 313 F CA -0.309 57.684 58.000 -0.012 0.000 0.967 313 F CB 2.550 41.493 39.000 -0.096 0.000 1.169 313 F HN 0.498 nan 8.300 nan 0.000 0.472 314 S N 2.243 118.073 115.700 0.216 0.000 2.543 314 S HA 0.418 4.887 4.470 -0.001 0.000 0.273 314 S C -2.532 172.026 174.600 -0.070 0.000 1.152 314 S CA -1.221 56.987 58.200 0.012 0.000 0.910 314 S CB 1.844 65.156 63.200 0.187 0.000 1.105 314 S HN 0.241 nan 8.310 nan 0.000 0.465 315 P HA 0.108 nan 4.420 nan 0.000 0.226 315 P C 1.045 178.495 177.300 0.251 0.000 1.153 315 P CA 0.871 63.988 63.100 0.028 0.000 0.777 315 P CB 0.109 31.772 31.700 -0.061 0.000 0.794 316 A N -0.775 122.130 122.820 0.141 0.000 2.119 316 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 316 A C 1.019 178.798 177.584 0.325 0.000 1.153 316 A CA 0.618 52.809 52.037 0.257 0.000 0.692 316 A CB -1.233 17.831 19.000 0.106 0.000 0.799 316 A HN 0.244 nan 8.150 nan 0.000 0.458 317 N N 0.947 119.790 118.700 0.238 0.000 2.605 317 N HA 0.416 5.155 4.740 -0.001 0.000 0.258 317 N C -0.352 175.326 175.510 0.280 0.000 1.156 317 N CA -0.188 52.984 53.050 0.203 0.000 1.008 317 N CB 0.130 38.693 38.487 0.128 0.000 1.354 317 N HN 0.627 nan 8.380 nan 0.000 0.509 318 I N -1.559 119.157 120.570 0.243 0.000 3.023 318 I HA 0.745 4.914 4.170 -0.001 0.000 0.312 318 I C -0.050 176.091 176.117 0.040 0.000 1.056 318 I CA -1.273 60.134 61.300 0.179 0.000 1.033 318 I CB 1.435 39.446 38.000 0.018 0.000 1.233 318 I HN -0.068 nan 8.210 nan 0.000 0.462 319 V N -1.440 118.425 119.914 -0.081 0.000 3.074 319 V HA 0.685 4.804 4.120 -0.001 0.000 0.314 319 V C -2.819 173.183 176.094 -0.154 0.000 1.117 319 V CA -2.614 59.610 62.300 -0.126 0.000 1.014 319 V CB 1.046 32.782 31.823 -0.145 0.000 1.057 319 V HN 0.624 nan 8.190 nan 0.000 0.438 320 P HA 0.352 nan 4.420 nan 0.000 0.262 320 P C 0.899 178.165 177.300 -0.057 0.000 1.182 320 P CA 2.018 65.093 63.100 -0.042 0.000 0.761 320 P CB 0.646 32.383 31.700 0.062 0.000 0.795 321 G N 2.359 111.142 108.800 -0.027 0.000 2.213 321 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.226 321 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.226 321 G C -0.021 174.882 174.900 0.005 0.000 0.992 321 G CA -0.351 44.721 45.100 -0.048 0.000 0.632 321 G HN 0.486 nan 8.290 nan 0.000 0.511 322 I N 0.632 121.195 120.570 -0.012 0.000 2.582 322 I HA 0.720 4.889 4.170 -0.001 0.000 0.292 322 I C 0.015 176.117 176.117 -0.026 0.000 1.066 322 I CA -0.707 60.650 61.300 0.096 0.000 1.053 322 I CB 2.166 40.075 38.000 -0.152 0.000 1.241 322 I HN 0.148 nan 8.210 nan 0.000 0.421 323 S N 3.450 119.163 115.700 0.022 0.000 2.880 323 S HA 0.719 5.188 4.470 -0.001 0.000 0.308 323 S C -0.934 173.624 174.600 -0.069 0.000 1.195 323 S CA -0.409 57.620 58.200 -0.285 0.000 0.866 323 S CB 1.001 64.072 63.200 -0.215 0.000 1.254 323 S HN 0.313 nan 8.310 nan 0.000 0.571 324 F N 1.801 121.915 119.950 0.273 0.000 2.363 324 F HA 0.793 5.319 4.527 -0.001 0.000 0.332 324 F C 1.010 176.942 175.800 0.221 0.000 1.039 324 F CA -0.173 57.947 58.000 0.200 0.000 1.127 324 F CB 0.093 39.141 39.000 0.079 0.000 1.701 324 F HN 0.653 nan 8.300 nan 0.000 0.532 325 S N -0.988 114.868 115.700 0.259 0.000 2.588 325 S HA 0.432 4.901 4.470 -0.001 0.000 0.269 325 S C -2.737 171.716 174.600 -0.245 0.000 1.157 325 S CA -1.072 57.141 58.200 0.021 0.000 0.824 325 S CB 1.654 64.800 63.200 -0.089 0.000 1.126 325 S HN 0.315 nan 8.310 nan 0.000 0.464 326 P HA 0.092 nan 4.420 nan 0.000 0.252 326 P C -0.282 176.791 177.300 -0.378 0.000 1.265 326 P CA 0.178 62.979 63.100 -0.498 0.000 0.775 326 P CB -0.556 30.747 31.700 -0.661 0.000 1.128 327 D N 1.416 121.634 120.400 -0.303 0.000 2.451 327 D HA -0.041 4.599 4.640 -0.001 0.000 0.254 327 D C 1.133 177.359 176.300 -0.124 0.000 1.204 327 D CA 0.288 54.224 54.000 -0.108 0.000 0.896 327 D CB 0.859 41.623 40.800 -0.059 0.000 1.136 327 D HN 0.020 nan 8.370 nan 0.000 0.499 328 K N 3.506 123.876 120.400 -0.050 0.000 2.103 328 K HA -0.158 4.161 4.320 -0.001 0.000 0.207 328 K C 1.945 178.528 176.600 -0.029 0.000 1.048 328 K CA 0.948 57.218 56.287 -0.028 0.000 0.930 328 K CB -0.016 32.503 32.500 0.032 0.000 0.716 328 K HN 0.515 nan 8.250 nan 0.000 0.444 329 M N 0.518 120.124 119.600 0.011 0.000 2.132 329 M HA -0.116 4.363 4.480 -0.001 0.000 0.263 329 M C 2.342 178.568 176.300 -0.123 0.000 1.065 329 M CA 1.153 56.487 55.300 0.057 0.000 1.122 329 M CB -0.821 31.923 32.600 0.241 0.000 1.365 329 M HN 0.158 nan 8.290 nan 0.000 0.411 330 L N 0.862 121.826 121.223 -0.432 0.000 2.056 330 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 330 L C 2.423 179.063 176.870 -0.382 0.000 1.078 330 L CA 1.800 56.191 54.840 -0.748 0.000 0.749 330 L CB -0.836 40.640 42.059 -0.971 0.000 0.901 330 L HN 0.264 nan 8.230 nan 0.000 0.433 331 Q N 0.019 119.654 119.800 -0.276 0.000 2.077 331 Q HA -0.164 4.175 4.340 -0.001 0.000 0.206 331 Q C 2.146 178.062 176.000 -0.141 0.000 0.989 331 Q CA 1.803 57.478 55.803 -0.212 0.000 0.853 331 Q CB -1.000 27.652 28.738 -0.144 0.000 0.907 331 Q HN 0.683 nan 8.270 nan 0.000 0.418 332 G N 0.817 109.566 108.800 -0.086 0.000 2.432 332 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.219 332 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.219 332 G C 1.496 176.402 174.900 0.009 0.000 1.135 332 G CA 0.467 45.560 45.100 -0.011 0.000 0.767 332 G HN 0.293 nan 8.290 nan 0.000 0.550 333 R N -0.206 120.262 120.500 -0.053 0.000 2.189 333 R HA 0.186 4.526 4.340 -0.001 0.000 0.218 333 R C 2.277 178.576 176.300 -0.002 0.000 1.074 333 R CA 0.218 56.336 56.100 0.030 0.000 0.991 333 R CB -0.289 29.990 30.300 -0.035 0.000 0.883 333 R HN 0.331 nan 8.270 nan 0.000 0.457 334 L N -0.127 121.028 121.223 -0.113 0.000 2.456 334 L HA -0.121 4.218 4.340 -0.001 0.000 0.224 334 L C 1.853 178.723 176.870 0.001 0.000 1.148 334 L CA 0.858 55.602 54.840 -0.161 0.000 0.825 334 L CB -0.228 41.623 42.059 -0.347 0.000 0.937 334 L HN 0.186 nan 8.230 nan 0.000 0.450 335 F N -0.800 119.102 119.950 -0.079 0.000 2.480 335 F HA 0.027 4.553 4.527 -0.001 0.000 0.280 335 F C 2.606 178.381 175.800 -0.042 0.000 1.002 335 F CA 0.943 58.910 58.000 -0.055 0.000 1.325 335 F CB -0.361 38.604 39.000 -0.058 0.000 1.134 335 F HN -0.143 nan 8.300 nan 0.000 0.646 336 S N -0.124 115.367 115.700 -0.349 0.000 2.359 336 S HA -0.260 4.210 4.470 -0.001 0.000 0.223 336 S C 2.079 176.389 174.600 -0.483 0.000 1.039 336 S CA 2.143 60.053 58.200 -0.483 0.000 1.042 336 S CB -0.780 62.258 63.200 -0.271 0.000 0.915 336 S HN 0.499 nan 8.310 nan 0.000 0.439 337 Y N 1.430 121.472 120.300 -0.429 0.000 2.089 337 Y HA 0.020 4.570 4.550 -0.001 0.000 0.282 337 Y C 2.921 178.345 175.900 -0.794 0.000 1.139 337 Y CA 1.169 58.930 58.100 -0.564 0.000 1.123 337 Y CB -1.312 36.911 38.460 -0.394 0.000 0.980 337 Y HN 0.390 nan 8.280 nan 0.000 0.493 338 G N -0.713 107.903 108.800 -0.306 0.000 2.442 338 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.219 338 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.219 338 G C 1.289 176.066 174.900 -0.206 0.000 1.141 338 G CA 1.445 46.443 45.100 -0.171 0.000 0.763 338 G HN 0.438 nan 8.290 nan 0.000 0.554 339 D N 0.581 120.757 120.400 -0.374 0.000 2.117 339 D HA 0.054 4.693 4.640 -0.001 0.000 0.198 339 D C 2.695 178.858 176.300 -0.227 0.000 0.982 339 D CA 1.436 55.219 54.000 -0.361 0.000 0.828 339 D CB -0.347 39.981 40.800 -0.787 0.000 0.967 339 D HN 0.233 nan 8.370 nan 0.000 0.464 340 A N -0.729 121.904 122.820 -0.312 0.000 1.930 340 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 340 A C 1.980 179.535 177.584 -0.048 0.000 1.175 340 A CA 1.634 53.562 52.037 -0.182 0.000 0.627 340 A CB -1.009 17.813 19.000 -0.297 0.000 0.815 340 A HN 0.478 nan 8.150 nan 0.000 0.443 341 H N -0.850 118.143 119.070 -0.129 0.000 2.321 341 H HA -0.058 4.498 4.556 -0.001 0.000 0.300 341 H C 2.420 177.655 175.328 -0.156 0.000 1.087 341 H CA 1.266 57.172 56.048 -0.237 0.000 1.319 341 H CB -0.012 29.474 29.762 -0.461 0.000 1.379 341 H HN 0.388 nan 8.280 nan 0.000 0.501 342 R N -0.106 120.450 120.500 0.094 0.000 2.120 342 R HA -0.177 4.162 4.340 -0.001 0.000 0.234 342 R C 1.991 178.356 176.300 0.109 0.000 1.123 342 R CA 1.507 57.686 56.100 0.131 0.000 0.975 342 R CB -0.228 30.143 30.300 0.118 0.000 0.866 342 R HN 0.424 nan 8.270 nan 0.000 0.446 343 Y N 1.056 121.350 120.300 -0.011 0.000 2.231 343 Y HA -0.055 4.494 4.550 -0.001 0.000 0.294 343 Y C 2.448 178.344 175.900 -0.007 0.000 1.120 343 Y CA 1.159 59.252 58.100 -0.011 0.000 1.141 343 Y CB -0.084 38.359 38.460 -0.027 0.000 1.022 343 Y HN -0.207 nan 8.280 nan 0.000 0.523 344 R N -0.146 120.301 120.500 -0.089 0.000 2.090 344 R HA -0.037 4.303 4.340 -0.001 0.000 0.228 344 R C 1.419 177.623 176.300 -0.160 0.000 1.110 344 R CA 1.965 57.964 56.100 -0.169 0.000 0.973 344 R CB -0.151 30.146 30.300 -0.005 0.000 0.869 344 R HN 0.495 nan 8.270 nan 0.000 0.440 345 L N -1.290 119.869 121.223 -0.108 0.000 2.717 345 L HA 0.399 4.739 4.340 -0.001 0.000 0.239 345 L C 0.557 177.410 176.870 -0.028 0.000 1.086 345 L CA 0.134 54.921 54.840 -0.088 0.000 0.897 345 L CB 1.198 43.179 42.059 -0.131 0.000 1.214 345 L HN 0.444 nan 8.230 nan 0.000 0.508 346 G N -0.307 108.496 108.800 0.006 0.000 2.497 346 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.686 346 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.686 346 G C -0.088 174.889 174.900 0.128 0.000 1.288 346 G CA -0.350 44.771 45.100 0.035 0.000 0.899 346 G HN -0.293 nan 8.290 nan 0.000 0.608 347 V N 0.121 120.085 119.914 0.082 0.000 2.719 347 V HA 0.064 4.183 4.120 -0.001 0.000 0.252 347 V C 1.423 177.521 176.094 0.007 0.000 1.065 347 V CA 2.000 64.348 62.300 0.079 0.000 1.086 347 V CB -0.306 31.538 31.823 0.034 0.000 0.700 347 V HN 0.595 nan 8.190 nan 0.000 0.467 348 N N 0.490 119.175 118.700 -0.025 0.000 2.558 348 N HA 0.093 4.832 4.740 -0.001 0.000 0.281 348 N C 0.884 176.197 175.510 -0.328 0.000 1.219 348 N CA 0.340 53.312 53.050 -0.130 0.000 0.942 348 N CB -0.022 38.402 38.487 -0.105 0.000 1.241 348 N HN 0.846 nan 8.380 nan 0.000 0.511 349 H N -1.155 117.840 119.070 -0.124 0.000 2.559 349 H HA -0.024 4.532 4.556 -0.001 0.000 0.273 349 H C 1.785 176.982 175.328 -0.218 0.000 1.000 349 H CA 0.897 56.838 56.048 -0.179 0.000 1.195 349 H CB -0.375 29.297 29.762 -0.149 0.000 1.368 349 H HN 0.389 nan 8.280 nan 0.000 0.592 350 H N 0.546 119.392 119.070 -0.372 0.000 2.521 350 H HA -0.049 4.507 4.556 -0.001 0.000 0.286 350 H C 1.025 176.232 175.328 -0.201 0.000 1.034 350 H CA 1.052 56.937 56.048 -0.273 0.000 1.278 350 H CB -0.061 29.533 29.762 -0.279 0.000 1.386 350 H HN 0.542 nan 8.280 nan 0.000 0.567 351 Q N 0.928 120.329 119.800 -0.665 0.000 2.378 351 Q HA 0.165 4.505 4.340 -0.001 0.000 0.205 351 Q C 0.627 176.519 176.000 -0.180 0.000 0.954 351 Q CA 0.112 55.696 55.803 -0.364 0.000 0.901 351 Q CB 0.373 28.891 28.738 -0.367 0.000 0.981 351 Q HN 0.475 nan 8.270 nan 0.000 0.483 352 I N 2.500 122.960 120.570 -0.184 0.000 2.587 352 I HA -0.043 4.127 4.170 -0.001 0.000 0.284 352 I C -1.621 174.412 176.117 -0.140 0.000 1.134 352 I CA -1.501 59.710 61.300 -0.148 0.000 1.410 352 I CB 0.635 38.530 38.000 -0.174 0.000 1.392 352 I HN -0.092 nan 8.210 nan 0.000 0.545 353 P HA -0.248 nan 4.420 nan 0.000 0.217 353 P C 1.720 178.938 177.300 -0.138 0.000 1.158 353 P CA 1.115 64.155 63.100 -0.100 0.000 0.887 353 P CB 0.198 31.843 31.700 -0.091 0.000 0.792 354 V N -0.636 119.173 119.914 -0.174 0.000 2.759 354 V HA -0.164 3.955 4.120 -0.001 0.000 0.256 354 V C 1.527 177.510 176.094 -0.185 0.000 1.080 354 V CA 1.983 64.154 62.300 -0.215 0.000 1.101 354 V CB -0.934 30.585 31.823 -0.506 0.000 0.698 354 V HN 0.107 nan 8.190 nan 0.000 0.477 355 N N 0.449 119.028 118.700 -0.202 0.000 2.392 355 N HA 0.218 4.958 4.740 -0.001 0.000 0.177 355 N C 0.741 176.184 175.510 -0.112 0.000 1.066 355 N CA 0.762 53.706 53.050 -0.177 0.000 0.895 355 N CB -0.028 38.355 38.487 -0.173 0.000 0.988 355 N HN 0.519 nan 8.380 nan 0.000 0.457 356 A N 2.897 125.625 122.820 -0.153 0.000 2.466 356 A HA 0.278 4.597 4.320 -0.001 0.000 0.238 356 A C -1.928 175.519 177.584 -0.228 0.000 1.074 356 A CA -0.699 51.152 52.037 -0.310 0.000 0.774 356 A CB -0.156 18.666 19.000 -0.296 0.000 1.015 356 A HN 0.032 nan 8.150 nan 0.000 0.498 357 P HA 0.158 nan 4.420 nan 0.000 0.277 357 P C 0.298 177.633 177.300 0.058 0.000 1.271 357 P CA -0.397 62.647 63.100 -0.093 0.000 0.795 357 P CB 0.938 32.564 31.700 -0.123 0.000 1.101 358 K N 0.222 120.714 120.400 0.154 0.000 1.997 358 K HA 0.015 4.335 4.320 -0.001 0.000 0.212 358 K C 0.292 177.017 176.600 0.208 0.000 1.033 358 K CA 0.610 56.985 56.287 0.148 0.000 0.950 358 K CB -0.732 31.854 32.500 0.142 0.000 0.751 358 K HN 0.450 nan 8.250 nan 0.000 0.444 359 C N 3.220 122.625 119.300 0.176 0.000 2.746 359 C HA 0.077 4.536 4.460 -0.001 0.000 0.403 359 C C -2.127 172.992 174.990 0.214 0.000 1.270 359 C CA -1.243 57.866 59.018 0.151 0.000 1.978 359 C CB -0.451 27.371 27.740 0.137 0.000 2.724 359 C HN 0.529 nan 8.230 nan 0.000 0.678 360 P HA -0.039 nan 4.420 nan 0.000 0.260 360 P C -0.114 177.273 177.300 0.144 0.000 1.172 360 P CA 0.581 63.670 63.100 -0.019 0.000 0.760 360 P CB 0.097 31.769 31.700 -0.047 0.000 0.773 361 F N 3.072 122.905 119.950 -0.196 0.000 2.521 361 F HA 0.051 4.578 4.527 -0.001 0.000 0.298 361 F C 2.198 177.721 175.800 -0.461 0.000 1.289 361 F CA 0.234 57.925 58.000 -0.516 0.000 1.315 361 F CB -0.807 37.987 39.000 -0.343 0.000 1.257 361 F HN 0.574 nan 8.300 nan 0.000 0.541 362 H N -1.933 117.266 119.070 0.214 0.000 5.144 362 H HA 0.222 4.778 4.556 -0.001 0.000 0.091 362 H C -0.728 174.657 175.328 0.095 0.000 1.295 362 H CA -0.300 55.822 56.048 0.124 0.000 0.628 362 H CB 0.133 29.952 29.762 0.095 0.000 1.510 362 H HN 0.421 nan 8.280 nan 0.000 0.109 363 N N -0.008 118.901 118.700 0.348 0.000 4.145 363 N HA -0.226 4.514 4.740 -0.001 0.000 0.312 363 N C -0.708 174.835 175.510 0.056 0.000 2.209 363 N CA 0.718 53.817 53.050 0.082 0.000 2.838 363 N CB -0.416 38.018 38.487 -0.088 0.000 0.342 363 N HN 0.603 nan 8.380 nan 0.000 0.637 364 Y N 2.935 123.046 120.300 -0.315 0.000 2.503 364 Y HA 0.235 4.785 4.550 -0.001 0.000 0.277 364 Y C 0.770 176.436 175.900 -0.390 0.000 1.102 364 Y CA 0.455 58.250 58.100 -0.508 0.000 1.261 364 Y CB 0.291 38.281 38.460 -0.783 0.000 1.096 364 Y HN 0.590 nan 8.280 nan 0.000 0.546 365 H N 2.912 121.874 119.070 -0.180 0.000 3.157 365 H HA 0.062 4.618 4.556 -0.001 0.000 0.299 365 H C -0.007 175.180 175.328 -0.234 0.000 0.961 365 H CA 0.410 56.344 56.048 -0.190 0.000 1.428 365 H CB 0.214 29.935 29.762 -0.069 0.000 1.459 365 H HN 0.331 nan 8.280 nan 0.000 0.566 366 R N 2.856 123.259 120.500 -0.163 0.000 2.368 366 R HA 0.107 4.446 4.340 -0.001 0.000 0.302 366 R C -0.185 176.097 176.300 -0.030 0.000 1.002 366 R CA -0.343 55.682 56.100 -0.127 0.000 0.929 366 R CB 0.668 30.854 30.300 -0.190 0.000 1.073 366 R HN 0.701 nan 8.270 nan 0.000 0.464 367 D N 1.371 121.768 120.400 -0.006 0.000 3.393 367 D HA -0.248 4.392 4.640 -0.001 0.000 0.178 367 D C 0.098 176.414 176.300 0.027 0.000 1.201 367 D CA 2.087 56.094 54.000 0.012 0.000 1.086 367 D CB -1.273 39.530 40.800 0.004 0.000 0.568 367 D HN 1.035 nan 8.370 nan 0.000 0.637 368 G N -0.930 107.883 108.800 0.020 0.000 2.663 368 G HA2 0.449 4.409 3.960 -0.001 0.000 0.686 368 G HA3 0.449 4.409 3.960 -0.001 0.000 0.686 368 G C -0.092 174.817 174.900 0.016 0.000 1.246 368 G CA 0.402 45.515 45.100 0.022 0.000 0.795 368 G HN 1.394 nan 8.290 nan 0.000 0.627 369 A N 1.150 123.976 122.820 0.011 0.000 2.498 369 A HA 0.664 4.983 4.320 -0.001 0.000 0.239 369 A C 1.392 178.973 177.584 -0.004 0.000 1.068 369 A CA 1.520 53.559 52.037 0.003 0.000 0.766 369 A CB 0.160 19.160 19.000 -0.001 0.000 1.003 369 A HN 2.598 nan 8.150 nan 0.000 0.497 370 M N 0.568 120.164 119.600 -0.006 0.000 2.253 370 M HA -0.146 4.333 4.480 -0.001 0.000 0.195 370 M C -0.037 176.254 176.300 -0.016 0.000 0.512 370 M CA 0.588 55.881 55.300 -0.011 0.000 0.442 370 M CB -1.281 31.307 32.600 -0.019 0.000 1.189 370 M HN 0.797 nan 8.290 nan 0.000 0.923 371 R N 0.801 121.301 120.500 -0.000 0.000 2.220 371 R HA 0.559 4.899 4.340 -0.001 0.000 0.340 371 R C 0.766 177.072 176.300 0.010 0.000 1.076 371 R CA 0.369 56.476 56.100 0.011 0.000 0.920 371 R CB 0.392 30.709 30.300 0.030 0.000 1.062 371 R HN 0.569 nan 8.270 nan 0.000 0.469 372 V N 0.278 120.193 119.914 0.002 0.000 3.346 372 V HA 0.280 4.399 4.120 -0.001 0.000 0.309 372 V C 0.300 176.403 176.094 0.016 0.000 1.457 372 V CA 0.363 62.666 62.300 0.005 0.000 1.069 372 V CB 0.671 32.492 31.823 -0.004 0.000 0.944 372 V HN 0.663 nan 8.190 nan 0.000 0.449 373 D N 0.471 120.893 120.400 0.037 0.000 2.340 373 D HA 0.369 5.008 4.640 -0.001 0.000 0.217 373 D C 1.582 177.914 176.300 0.053 0.000 1.081 373 D CA 0.718 54.753 54.000 0.059 0.000 0.842 373 D CB 0.549 41.425 40.800 0.125 0.000 0.934 373 D HN 0.855 nan 8.370 nan 0.000 0.511 374 G N -0.128 108.697 108.800 0.041 0.000 2.218 374 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.216 374 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.216 374 G C 0.383 175.307 174.900 0.040 0.000 0.994 374 G CA -0.056 45.063 45.100 0.032 0.000 0.637 374 G HN 0.555 nan 8.290 nan 0.000 0.505 375 N N -1.314 117.420 118.700 0.056 0.000 6.923 375 N HA -0.176 4.563 4.740 -0.001 0.000 0.423 375 N C 1.254 176.797 175.510 0.056 0.000 0.948 375 N CA 1.991 55.071 53.050 0.051 0.000 1.361 375 N CB -1.261 37.246 38.487 0.033 0.000 0.818 375 N HN 1.203 nan 8.380 nan 0.000 0.288 376 S N -0.497 115.223 115.700 0.034 0.000 2.593 376 S HA 0.477 4.946 4.470 -0.001 0.000 0.217 376 S C 0.823 175.504 174.600 0.135 0.000 0.966 376 S CA 1.182 59.413 58.200 0.051 0.000 0.914 376 S CB 0.002 63.143 63.200 -0.099 0.000 0.776 376 S HN 1.463 nan 8.310 nan 0.000 0.523 377 G N 0.617 109.471 108.800 0.089 0.000 2.318 377 G HA2 0.211 4.170 3.960 -0.001 0.000 0.302 377 G HA3 0.211 4.170 3.960 -0.001 0.000 0.302 377 G C -0.826 174.113 174.900 0.064 0.000 1.633 377 G CA -0.850 44.306 45.100 0.094 0.000 0.965 377 G HN 0.043 nan 8.290 nan 0.000 0.698 378 N N -0.085 118.642 118.700 0.046 0.000 2.203 378 N HA 0.256 4.996 4.740 -0.001 0.000 0.207 378 N C 1.238 176.776 175.510 0.047 0.000 1.130 378 N CA 0.870 53.944 53.050 0.039 0.000 0.861 378 N CB 1.572 40.074 38.487 0.025 0.000 1.005 378 N HN 0.838 nan 8.380 nan 0.000 0.507 379 G N 0.149 108.983 108.800 0.058 0.000 2.710 379 G HA2 0.379 4.339 3.960 -0.001 0.000 0.198 379 G HA3 0.379 4.339 3.960 -0.001 0.000 0.198 379 G C -0.221 174.754 174.900 0.125 0.000 1.797 379 G CA -0.313 44.830 45.100 0.070 0.000 0.759 379 G HN 0.060 nan 8.290 nan 0.000 0.808 380 I N 2.303 122.931 120.570 0.097 0.000 2.496 380 I HA 0.260 4.429 4.170 -0.001 0.000 0.285 380 I C 0.769 177.016 176.117 0.216 0.000 1.080 380 I CA 0.424 61.784 61.300 0.100 0.000 1.404 380 I CB 1.659 39.553 38.000 -0.176 0.000 1.403 380 I HN 0.466 nan 8.210 nan 0.000 0.539 381 T N 2.002 116.757 114.554 0.336 0.000 3.393 381 T HA 0.273 4.623 4.350 -0.001 0.000 0.298 381 T C -0.449 174.445 174.700 0.325 0.000 1.004 381 T CA -0.462 61.819 62.100 0.301 0.000 0.956 381 T CB -0.378 68.559 68.868 0.115 0.000 1.182 381 T HN 0.491 nan 8.240 nan 0.000 0.497 382 Y N -1.720 118.766 120.300 0.311 0.000 2.638 382 Y HA 0.914 5.463 4.550 -0.001 0.000 0.339 382 Y C -0.925 175.144 175.900 0.281 0.000 1.084 382 Y CA -1.590 56.664 58.100 0.258 0.000 1.068 382 Y CB 1.351 39.903 38.460 0.154 0.000 1.294 382 Y HN 0.037 nan 8.280 nan 0.000 0.480 383 E N 2.132 122.469 120.200 0.228 0.000 2.354 383 E HA 0.345 4.694 4.350 -0.001 0.000 0.283 383 E C -2.963 173.720 176.600 0.140 0.000 0.938 383 E CA -1.756 54.714 56.400 0.116 0.000 0.777 383 E CB 2.308 32.048 29.700 0.066 0.000 1.222 383 E HN 0.807 nan 8.360 nan 0.000 0.423 384 P HA 0.274 nan 4.420 nan 0.000 0.269 384 P C -0.860 176.534 177.300 0.156 0.000 1.215 384 P CA -0.122 63.043 63.100 0.109 0.000 0.780 384 P CB 0.702 32.455 31.700 0.089 0.000 0.898 385 N N -1.581 117.149 118.700 0.051 0.000 2.853 385 N HA 0.301 5.040 4.740 -0.001 0.000 0.258 385 N C -0.580 174.944 175.510 0.022 0.000 1.444 385 N CA -0.960 52.102 53.050 0.019 0.000 0.837 385 N CB 0.688 38.969 38.487 -0.344 0.000 1.489 385 N HN 0.062 nan 8.380 nan 0.000 0.529 386 S N -1.478 114.244 115.700 0.038 0.000 2.574 386 S HA 0.312 4.782 4.470 -0.001 0.000 0.242 386 S C 0.857 175.453 174.600 -0.006 0.000 0.982 386 S CA -0.208 58.007 58.200 0.025 0.000 0.977 386 S CB -0.178 63.050 63.200 0.046 0.000 0.814 386 S HN 0.764 nan 8.310 nan 0.000 0.464 387 G N 0.466 109.239 108.800 -0.045 0.000 3.192 387 G HA2 0.434 4.393 3.960 -0.001 0.000 0.239 387 G HA3 0.434 4.393 3.960 -0.001 0.000 0.239 387 G C 0.911 175.759 174.900 -0.087 0.000 1.084 387 G CA 0.028 45.089 45.100 -0.066 0.000 0.784 387 G HN 0.639 nan 8.290 nan 0.000 0.540 388 G N -0.342 108.412 108.800 -0.076 0.000 2.273 388 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.280 388 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.280 388 G C 0.245 175.071 174.900 -0.123 0.000 1.047 388 G CA 0.638 45.692 45.100 -0.076 0.000 0.869 388 G HN 1.535 nan 8.290 nan 0.000 0.502 389 V N -4.310 115.494 119.914 -0.183 0.000 2.960 389 V HA 0.872 4.991 4.120 -0.001 0.000 0.315 389 V C 0.944 176.897 176.094 -0.235 0.000 1.087 389 V CA -0.944 61.149 62.300 -0.345 0.000 0.982 389 V CB 1.407 32.869 31.823 -0.601 0.000 1.039 389 V HN 1.171 nan 8.190 nan 0.000 0.437 390 F N 0.100 120.029 119.950 -0.036 0.000 3.074 390 F HA -0.141 4.385 4.527 -0.001 0.000 0.287 390 F C 0.594 176.352 175.800 -0.069 0.000 0.932 390 F CA 0.658 58.631 58.000 -0.046 0.000 0.995 390 F CB -1.975 37.009 39.000 -0.027 0.000 0.966 390 F HN 0.726 nan 8.300 nan 0.000 0.721 391 Q N 1.466 121.304 119.800 0.062 0.000 2.279 391 Q HA 0.243 4.583 4.340 -0.001 0.000 0.256 391 Q C 0.888 176.905 176.000 0.028 0.000 0.937 391 Q CA -0.199 55.622 55.803 0.030 0.000 0.933 391 Q CB 1.062 29.804 28.738 0.006 0.000 1.189 391 Q HN 0.680 nan 8.270 nan 0.000 0.417 392 E N 1.878 122.089 120.200 0.018 0.000 2.410 392 E HA 0.025 4.374 4.350 -0.001 0.000 0.255 392 E C -0.716 175.908 176.600 0.041 0.000 1.194 392 E CA -0.131 56.278 56.400 0.014 0.000 0.955 392 E CB 0.542 30.245 29.700 0.005 0.000 0.988 392 E HN 0.391 nan 8.360 nan 0.000 0.461 393 Q N 1.042 120.885 119.800 0.072 0.000 2.523 393 Q HA 0.201 4.541 4.340 -0.001 0.000 0.251 393 Q C -2.121 173.967 176.000 0.148 0.000 1.033 393 Q CA -1.788 54.100 55.803 0.141 0.000 0.746 393 Q CB 1.641 30.537 28.738 0.263 0.000 1.189 393 Q HN 0.465 nan 8.270 nan 0.000 0.508 394 P HA -0.128 nan 4.420 nan 0.000 0.222 394 P C 0.253 177.548 177.300 -0.009 0.000 1.147 394 P CA 0.903 64.022 63.100 0.033 0.000 0.790 394 P CB 0.395 32.099 31.700 0.007 0.000 0.780 395 D N -1.556 118.802 120.400 -0.070 0.000 2.310 395 D HA -0.065 4.575 4.640 -0.001 0.000 0.212 395 D C 0.723 176.786 176.300 -0.395 0.000 0.965 395 D CA 0.911 54.756 54.000 -0.258 0.000 0.879 395 D CB -0.456 40.110 40.800 -0.391 0.000 0.921 395 D HN 0.267 nan 8.370 nan 0.000 0.510 396 F N 0.711 120.648 119.950 -0.022 0.000 2.639 396 F HA 0.204 4.730 4.527 -0.001 0.000 0.300 396 F C 0.961 176.747 175.800 -0.023 0.000 1.109 396 F CA -0.434 57.551 58.000 -0.025 0.000 1.335 396 F CB 0.016 38.998 39.000 -0.028 0.000 1.014 396 F HN -0.424 nan 8.300 nan 0.000 0.537 397 K N 1.448 121.894 120.400 0.076 0.000 2.469 397 K HA 0.074 4.394 4.320 -0.001 0.000 0.274 397 K C 0.130 176.752 176.600 0.037 0.000 0.983 397 K CA 0.508 56.824 56.287 0.049 0.000 0.974 397 K CB 0.493 33.002 32.500 0.014 0.000 0.913 397 K HN 0.277 nan 8.250 nan 0.000 0.493 398 E N 2.340 122.558 120.200 0.030 0.000 2.277 398 E HA 0.296 4.646 4.350 -0.001 0.000 0.266 398 E C -2.271 174.330 176.600 0.001 0.000 0.901 398 E CA -2.048 54.361 56.400 0.015 0.000 0.782 398 E CB 1.464 31.173 29.700 0.015 0.000 1.228 398 E HN 0.448 nan 8.360 nan 0.000 0.424 399 P HA 0.192 nan 4.420 nan 0.000 0.272 399 P C -2.503 174.788 177.300 -0.016 0.000 1.223 399 P CA -0.960 62.126 63.100 -0.023 0.000 0.784 399 P CB -0.184 31.489 31.700 -0.045 0.000 0.923 400 P HA 0.291 nan 4.420 nan 0.000 0.274 400 P C -0.931 176.369 177.300 0.000 0.000 1.260 400 P CA -0.234 62.867 63.100 0.001 0.000 0.793 400 P CB 0.237 31.938 31.700 0.000 0.000 1.048 401 L N 0.359 121.593 121.223 0.017 0.000 2.441 401 L HA 0.351 4.691 4.340 -0.001 0.000 0.270 401 L C -0.189 176.698 176.870 0.029 0.000 0.973 401 L CA -0.364 54.496 54.840 0.033 0.000 0.842 401 L CB 0.974 43.073 42.059 0.068 0.000 1.239 401 L HN 0.489 nan 8.230 nan 0.000 0.406 402 S N 4.737 120.452 115.700 0.024 0.000 2.576 402 S HA 0.572 5.041 4.470 -0.001 0.000 0.272 402 S C 0.102 174.708 174.600 0.010 0.000 1.352 402 S CA -0.349 57.859 58.200 0.014 0.000 1.021 402 S CB 0.525 63.732 63.200 0.011 0.000 0.887 402 S HN 0.525 nan 8.310 nan 0.000 0.542 403 I N 1.199 121.768 120.570 -0.002 0.000 2.465 403 I HA 0.407 4.576 4.170 -0.001 0.000 0.291 403 I C -0.786 175.314 176.117 -0.027 0.000 1.014 403 I CA -0.643 60.647 61.300 -0.017 0.000 1.093 403 I CB 2.024 40.018 38.000 -0.010 0.000 1.267 403 I HN 0.591 nan 8.210 nan 0.000 0.431 404 E N 4.152 124.317 120.200 -0.058 0.000 2.155 404 E HA 0.729 5.079 4.350 -0.001 0.000 0.264 404 E C -0.120 176.405 176.600 -0.127 0.000 0.886 404 E CA -0.211 56.145 56.400 -0.074 0.000 0.752 404 E CB 1.874 31.525 29.700 -0.081 0.000 1.133 404 E HN 0.832 nan 8.360 nan 0.000 0.414 405 G N 1.383 110.138 108.800 -0.075 0.000 2.570 405 G HA2 0.307 4.267 3.960 -0.001 0.000 0.686 405 G HA3 0.307 4.267 3.960 -0.001 0.000 0.686 405 G C -0.588 174.361 174.900 0.082 0.000 1.257 405 G CA -0.577 44.488 45.100 -0.057 0.000 0.846 405 G HN 0.671 nan 8.290 nan 0.000 0.627 406 A N -0.032 122.946 122.820 0.264 0.000 2.242 406 A HA 1.035 5.354 4.320 -0.001 0.000 0.304 406 A C 0.961 178.750 177.584 0.341 0.000 1.100 406 A CA 0.759 52.945 52.037 0.248 0.000 0.860 406 A CB 0.796 19.927 19.000 0.219 0.000 1.168 406 A HN 2.625 nan 8.150 nan 0.000 0.503 407 A N 0.360 123.293 122.820 0.189 0.000 2.409 407 A HA 0.577 4.897 4.320 -0.001 0.000 0.262 407 A C -0.182 177.444 177.584 0.070 0.000 1.113 407 A CA 0.254 52.376 52.037 0.142 0.000 0.790 407 A CB -0.005 19.022 19.000 0.045 0.000 1.046 407 A HN 0.956 nan 8.150 nan 0.000 0.496 408 D N -0.724 119.680 120.400 0.005 0.000 2.913 408 D HA 0.094 4.733 4.640 -0.001 0.000 0.293 408 D C -1.396 174.681 176.300 -0.371 0.000 1.238 408 D CA -0.490 53.334 54.000 -0.294 0.000 0.738 408 D CB 0.396 40.836 40.800 -0.600 0.000 1.254 408 D HN 0.555 nan 8.370 nan 0.000 0.429 409 H N 1.099 119.976 119.070 -0.321 0.000 2.782 409 H HA 0.223 4.778 4.556 -0.001 0.000 0.285 409 H C -0.574 174.572 175.328 -0.303 0.000 1.093 409 H CA 0.088 56.031 56.048 -0.174 0.000 1.410 409 H CB 0.195 29.883 29.762 -0.123 0.000 1.439 409 H HN 0.134 nan 8.280 nan 0.000 0.469 410 W N 2.813 124.178 121.300 0.109 0.000 2.335 410 W HA 0.096 4.756 4.660 -0.000 0.000 0.307 410 W C 0.762 177.334 176.519 0.088 0.000 1.117 410 W CA -0.668 56.725 57.345 0.080 0.000 1.228 410 W CB 0.497 29.991 29.460 0.057 0.000 1.240 410 W HN 0.490 nan 8.180 nan 0.000 0.468 411 N N 2.887 121.718 118.700 0.218 0.000 2.427 411 N HA -0.097 4.643 4.740 -0.001 0.000 0.269 411 N C 1.076 176.662 175.510 0.127 0.000 1.235 411 N CA 0.296 53.402 53.050 0.092 0.000 0.934 411 N CB 0.421 38.922 38.487 0.023 0.000 1.121 411 N HN 0.550 nan 8.380 nan 0.000 0.480 412 H N 2.484 121.651 119.070 0.161 0.000 2.555 412 H HA 0.160 4.716 4.556 -0.001 0.000 0.269 412 H C 0.811 176.212 175.328 0.121 0.000 0.988 412 H CA 0.884 57.017 56.048 0.142 0.000 1.178 412 H CB 0.067 29.913 29.762 0.140 0.000 1.373 412 H HN 0.461 nan 8.280 nan 0.000 0.588 413 R N 0.845 121.229 120.500 -0.194 0.000 2.328 413 R HA -0.008 4.332 4.340 -0.001 0.000 0.200 413 R C 0.797 177.114 176.300 0.028 0.000 0.983 413 R CA 0.263 56.348 56.100 -0.025 0.000 1.062 413 R CB 0.122 30.388 30.300 -0.058 0.000 0.956 413 R HN 0.445 nan 8.270 nan 0.000 0.479 414 E N 0.830 121.058 120.200 0.048 0.000 2.274 414 E HA -0.107 4.242 4.350 -0.001 0.000 0.194 414 E C -0.005 176.601 176.600 0.010 0.000 0.996 414 E CA 0.778 57.207 56.400 0.048 0.000 0.840 414 E CB 0.023 29.774 29.700 0.085 0.000 0.772 414 E HN 0.182 nan 8.360 nan 0.000 0.491 415 D N 0.852 121.250 120.400 -0.003 0.000 2.373 415 D HA 0.073 4.712 4.640 -0.001 0.000 0.227 415 D C -0.146 175.973 176.300 -0.302 0.000 1.091 415 D CA -0.078 53.873 54.000 -0.082 0.000 0.840 415 D CB 0.607 41.396 40.800 -0.018 0.000 1.060 415 D HN -0.147 nan 8.370 nan 0.000 0.502 416 E N 2.229 122.197 120.200 -0.387 0.000 2.499 416 E HA 0.017 4.367 4.350 -0.001 0.000 0.199 416 E C -0.474 175.644 176.600 -0.804 0.000 1.016 416 E CA -0.238 55.697 56.400 -0.776 0.000 0.933 416 E CB 0.548 30.118 29.700 -0.218 0.000 1.050 416 E HN 0.311 nan 8.360 nan 0.000 0.462 417 D N 0.168 120.240 120.400 -0.548 0.000 2.470 417 D HA -0.021 4.619 4.640 -0.001 0.000 0.226 417 D C -0.261 175.802 176.300 -0.395 0.000 1.196 417 D CA 0.004 53.821 54.000 -0.305 0.000 0.979 417 D CB -0.054 40.667 40.800 -0.131 0.000 1.059 417 D HN 0.127 nan 8.370 nan 0.000 0.515 418 Y N 1.491 121.524 120.300 -0.445 0.000 2.430 418 Y HA 0.204 4.754 4.550 -0.001 0.000 0.248 418 Y C 0.957 176.433 175.900 -0.706 0.000 1.108 418 Y CA -0.266 57.439 58.100 -0.658 0.000 1.264 418 Y CB 0.068 37.902 38.460 -1.044 0.000 1.172 418 Y HN 0.235 nan 8.280 nan 0.000 0.520 419 F N -1.622 118.410 119.950 0.137 0.000 2.680 419 F HA 0.080 4.607 4.527 -0.001 0.000 0.290 419 F C 2.396 178.219 175.800 0.038 0.000 1.114 419 F CA 0.446 58.496 58.000 0.082 0.000 1.333 419 F CB -0.736 38.309 39.000 0.074 0.000 1.091 419 F HN -0.070 nan 8.300 nan 0.000 0.606 420 S N 0.675 116.472 115.700 0.160 0.000 2.365 420 S HA -0.271 4.199 4.470 -0.001 0.000 0.225 420 S C 1.805 176.413 174.600 0.013 0.000 1.039 420 S CA 1.597 59.849 58.200 0.087 0.000 1.033 420 S CB -0.778 62.451 63.200 0.048 0.000 0.887 420 S HN 0.499 nan 8.310 nan 0.000 0.447 421 Q N 1.335 121.083 119.800 -0.086 0.000 2.049 421 Q HA 0.031 4.370 4.340 -0.001 0.000 0.198 421 Q C -0.400 175.393 176.000 -0.344 0.000 0.971 421 Q CA 1.312 56.963 55.803 -0.252 0.000 0.833 421 Q CB -1.290 27.225 28.738 -0.373 0.000 0.896 421 Q HN 0.579 nan 8.270 nan 0.000 0.434 422 P HA -0.154 nan 4.420 nan 0.000 0.222 422 P C 1.035 178.432 177.300 0.163 0.000 1.147 422 P CA 1.130 64.198 63.100 -0.054 0.000 0.790 422 P CB -0.107 31.664 31.700 0.118 0.000 0.780 423 R N 0.504 121.104 120.500 0.166 0.000 2.062 423 R HA -0.012 4.328 4.340 -0.001 0.000 0.229 423 R C 2.294 178.736 176.300 0.236 0.000 1.128 423 R CA 1.394 57.648 56.100 0.258 0.000 0.960 423 R CB -0.786 29.649 30.300 0.224 0.000 0.855 423 R HN 0.010 nan 8.270 nan 0.000 0.432 424 A N 1.436 124.331 122.820 0.124 0.000 1.908 424 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 424 A C 2.054 179.694 177.584 0.093 0.000 1.181 424 A CA 1.436 53.527 52.037 0.090 0.000 0.627 424 A CB -0.649 18.369 19.000 0.030 0.000 0.818 424 A HN 0.417 nan 8.150 nan 0.000 0.445 425 L N -1.615 119.664 121.223 0.094 0.000 2.027 425 L HA -0.125 4.214 4.340 -0.001 0.000 0.206 425 L C 2.306 179.255 176.870 0.132 0.000 1.074 425 L CA 2.496 57.402 54.840 0.109 0.000 0.745 425 L CB -1.001 41.148 42.059 0.149 0.000 0.898 425 L HN 0.510 nan 8.230 nan 0.000 0.433 426 Y N 0.900 121.230 120.300 0.051 0.000 2.128 426 Y HA -0.247 4.303 4.550 -0.001 0.000 0.284 426 Y C 2.335 178.285 175.900 0.084 0.000 1.154 426 Y CA 2.283 60.378 58.100 -0.009 0.000 1.149 426 Y CB -0.311 38.094 38.460 -0.091 0.000 0.976 426 Y HN 0.397 nan 8.280 nan 0.000 0.505 427 E N 0.029 120.285 120.200 0.093 0.000 2.333 427 E HA -0.150 4.200 4.350 -0.001 0.000 0.198 427 E C 1.937 178.509 176.600 -0.047 0.000 1.007 427 E CA 0.902 57.310 56.400 0.014 0.000 0.845 427 E CB -0.163 29.627 29.700 0.149 0.000 0.766 427 E HN 0.543 nan 8.360 nan 0.000 0.507 428 L N 0.575 121.776 121.223 -0.037 0.000 2.446 428 L HA 0.083 4.423 4.340 -0.001 0.000 0.219 428 L C 0.825 177.619 176.870 -0.126 0.000 1.116 428 L CA -0.007 54.798 54.840 -0.057 0.000 0.844 428 L CB 0.149 42.196 42.059 -0.020 0.000 0.970 428 L HN 0.044 nan 8.230 nan 0.000 0.457 429 L N -0.288 120.825 121.223 -0.184 0.000 2.395 429 L HA 0.202 4.542 4.340 -0.001 0.000 0.269 429 L C 0.916 177.433 176.870 -0.589 0.000 1.133 429 L CA -0.397 54.262 54.840 -0.301 0.000 0.812 429 L CB 1.219 43.133 42.059 -0.241 0.000 1.125 429 L HN 0.114 nan 8.230 nan 0.000 0.452 430 S N -0.228 115.169 115.700 -0.506 0.000 2.608 430 S HA 0.058 4.527 4.470 -0.001 0.000 0.261 430 S C 0.559 174.687 174.600 -0.788 0.000 1.314 430 S CA -0.669 57.231 58.200 -0.500 0.000 0.992 430 S CB 1.008 64.031 63.200 -0.294 0.000 0.935 430 S HN 0.596 nan 8.310 nan 0.000 0.564 431 D N 0.674 120.757 120.400 -0.529 0.000 2.178 431 D HA -0.066 4.574 4.640 -0.001 0.000 0.202 431 D C 1.198 177.327 176.300 -0.285 0.000 0.974 431 D CA 1.171 54.938 54.000 -0.387 0.000 0.841 431 D CB -0.370 40.335 40.800 -0.159 0.000 0.953 431 D HN 0.597 nan 8.370 nan 0.000 0.478 432 D N 0.421 120.674 120.400 -0.244 0.000 2.144 432 D HA -0.122 4.517 4.640 -0.001 0.000 0.200 432 D C 1.917 178.090 176.300 -0.212 0.000 0.978 432 D CA 0.647 54.541 54.000 -0.176 0.000 0.833 432 D CB -0.110 40.609 40.800 -0.134 0.000 0.961 432 D HN 0.364 nan 8.370 nan 0.000 0.470 433 E N -0.322 119.711 120.200 -0.278 0.000 2.107 433 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 433 E C 1.770 178.193 176.600 -0.295 0.000 0.982 433 E CA 0.768 57.019 56.400 -0.249 0.000 0.809 433 E CB 0.030 29.585 29.700 -0.243 0.000 0.756 433 E HN 0.486 nan 8.360 nan 0.000 0.459 434 H N -0.538 118.232 119.070 -0.499 0.000 2.352 434 H HA -0.102 4.454 4.556 -0.001 0.000 0.299 434 H C 2.183 176.779 175.328 -1.220 0.000 1.097 434 H CA 0.995 56.514 56.048 -0.880 0.000 1.311 434 H CB 0.273 29.579 29.762 -0.761 0.000 1.377 434 H HN 0.158 nan 8.280 nan 0.000 0.504 435 Q N 0.685 120.188 119.800 -0.495 0.000 2.124 435 Q HA -0.102 4.238 4.340 -0.001 0.000 0.202 435 Q C 2.298 178.188 176.000 -0.183 0.000 0.977 435 Q CA 1.073 56.729 55.803 -0.245 0.000 0.850 435 Q CB -0.167 28.536 28.738 -0.058 0.000 0.901 435 Q HN 0.526 nan 8.270 nan 0.000 0.429 436 R N -0.202 120.186 120.500 -0.186 0.000 2.075 436 R HA 0.004 4.344 4.340 -0.001 0.000 0.232 436 R C 2.426 178.668 176.300 -0.097 0.000 1.126 436 R CA 1.218 57.255 56.100 -0.104 0.000 0.963 436 R CB -0.239 30.005 30.300 -0.092 0.000 0.858 436 R HN 0.266 nan 8.270 nan 0.000 0.435 437 M N -0.244 119.239 119.600 -0.196 0.000 2.117 437 M HA -0.137 4.342 4.480 -0.001 0.000 0.262 437 M C 1.777 178.077 176.300 -0.000 0.000 1.065 437 M CA 1.602 56.827 55.300 -0.126 0.000 1.114 437 M CB -0.281 32.189 32.600 -0.217 0.000 1.361 437 M HN 0.017 nan 8.290 nan 0.000 0.408 438 F N 0.669 120.603 119.950 -0.028 0.000 2.102 438 F HA -0.113 4.414 4.527 -0.001 0.000 0.298 438 F C 2.748 178.524 175.800 -0.040 0.000 1.105 438 F CA 1.139 59.110 58.000 -0.048 0.000 1.239 438 F CB -1.660 37.321 39.000 -0.032 0.000 0.991 438 F HN 0.113 nan 8.300 nan 0.000 0.474 439 A N 0.103 123.017 122.820 0.157 0.000 1.930 439 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 439 A C 2.365 179.986 177.584 0.061 0.000 1.175 439 A CA 1.424 53.512 52.037 0.085 0.000 0.627 439 A CB -0.634 18.399 19.000 0.056 0.000 0.815 439 A HN 0.311 nan 8.150 nan 0.000 0.443 440 R N -0.549 119.989 120.500 0.063 0.000 2.075 440 R HA 0.028 4.367 4.340 -0.001 0.000 0.232 440 R C 1.959 178.311 176.300 0.088 0.000 1.126 440 R CA 1.529 57.675 56.100 0.076 0.000 0.963 440 R CB -0.423 29.926 30.300 0.082 0.000 0.858 440 R HN 0.556 nan 8.270 nan 0.000 0.435 441 I N 0.531 121.143 120.570 0.071 0.000 2.252 441 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 441 I C 2.587 178.639 176.117 -0.108 0.000 1.102 441 I CA 1.105 62.400 61.300 -0.009 0.000 1.385 441 I CB -0.417 37.542 38.000 -0.068 0.000 1.064 441 I HN 0.193 nan 8.210 nan 0.000 0.414 442 A N 1.097 123.886 122.820 -0.050 0.000 1.908 442 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 442 A C 2.445 180.001 177.584 -0.046 0.000 1.181 442 A CA 1.988 53.988 52.037 -0.062 0.000 0.627 442 A CB -1.529 17.461 19.000 -0.016 0.000 0.818 442 A HN 0.470 nan 8.150 nan 0.000 0.445 443 G N -0.851 107.949 108.800 -0.001 0.000 2.485 443 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.221 443 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.221 443 G C 1.443 176.363 174.900 0.033 0.000 1.115 443 G CA 1.182 46.296 45.100 0.023 0.000 0.751 443 G HN 0.697 nan 8.290 nan 0.000 0.567 444 E N -0.909 119.310 120.200 0.031 0.000 2.152 444 E HA 0.131 4.480 4.350 -0.001 0.000 0.195 444 E C 2.236 178.789 176.600 -0.077 0.000 0.934 444 E CA -0.214 56.246 56.400 0.100 0.000 0.869 444 E CB -0.176 29.756 29.700 0.387 0.000 0.842 444 E HN 0.235 nan 8.360 nan 0.000 0.472 445 L N 1.922 122.901 121.223 -0.406 0.000 2.127 445 L HA -0.145 4.194 4.340 -0.001 0.000 0.211 445 L C 2.264 179.021 176.870 -0.189 0.000 1.089 445 L CA 1.906 56.435 54.840 -0.519 0.000 0.757 445 L CB -0.521 41.148 42.059 -0.650 0.000 0.899 445 L HN 0.083 nan 8.230 nan 0.000 0.434 446 S N -1.900 113.729 115.700 -0.118 0.000 2.474 446 S HA -0.193 4.277 4.470 -0.001 0.000 0.235 446 S C 1.680 176.265 174.600 -0.025 0.000 0.997 446 S CA 0.927 59.092 58.200 -0.059 0.000 0.949 446 S CB -0.496 62.680 63.200 -0.040 0.000 0.766 446 S HN 0.696 nan 8.310 nan 0.000 0.517 447 Q N 0.670 120.466 119.800 -0.007 0.000 2.424 447 Q HA 0.410 4.750 4.340 -0.001 0.000 0.204 447 Q C 1.019 177.039 176.000 0.033 0.000 0.933 447 Q CA 0.348 56.162 55.803 0.017 0.000 0.929 447 Q CB 0.048 28.808 28.738 0.037 0.000 1.037 447 Q HN 0.733 nan 8.270 nan 0.000 0.511 448 A N 1.323 124.170 122.820 0.044 0.000 2.280 448 A HA 0.368 4.688 4.320 -0.001 0.000 0.268 448 A C 0.486 178.100 177.584 0.050 0.000 1.111 448 A CA -0.382 51.704 52.037 0.083 0.000 0.814 448 A CB 0.320 19.394 19.000 0.122 0.000 1.093 448 A HN 0.283 nan 8.150 nan 0.000 0.498 449 S N -0.227 115.513 115.700 0.066 0.000 2.608 449 S HA 0.207 4.676 4.470 -0.001 0.000 0.261 449 S C 0.693 175.310 174.600 0.029 0.000 1.314 449 S CA -0.355 57.874 58.200 0.047 0.000 0.992 449 S CB 0.603 63.841 63.200 0.063 0.000 0.935 449 S HN 0.553 nan 8.310 nan 0.000 0.564 450 K N 0.941 121.351 120.400 0.017 0.000 2.097 450 K HA -0.089 4.230 4.320 -0.001 0.000 0.205 450 K C 2.052 178.654 176.600 0.003 0.000 1.050 450 K CA 1.588 57.877 56.287 0.004 0.000 0.938 450 K CB -0.638 31.863 32.500 0.002 0.000 0.718 450 K HN 0.892 nan 8.250 nan 0.000 0.442 451 E N 0.505 120.713 120.200 0.013 0.000 2.051 451 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 451 E C 1.502 178.101 176.600 -0.001 0.000 0.991 451 E CA 1.573 57.978 56.400 0.009 0.000 0.799 451 E CB 0.137 29.852 29.700 0.026 0.000 0.748 451 E HN 0.160 nan 8.360 nan 0.000 0.449 452 T N 0.798 115.365 114.554 0.022 0.000 2.777 452 T HA -0.139 4.211 4.350 -0.001 0.000 0.266 452 T C 1.840 176.545 174.700 0.008 0.000 1.040 452 T CA 1.288 63.404 62.100 0.028 0.000 1.141 452 T CB -0.156 68.774 68.868 0.103 0.000 0.868 452 T HN 0.253 nan 8.240 nan 0.000 0.444 453 Q N 0.475 120.275 119.800 -0.001 0.000 2.061 453 Q HA -0.201 4.138 4.340 -0.001 0.000 0.204 453 Q C 2.517 178.494 176.000 -0.038 0.000 0.984 453 Q CA 1.516 57.300 55.803 -0.031 0.000 0.846 453 Q CB -0.195 28.522 28.738 -0.035 0.000 0.902 453 Q HN 0.341 nan 8.270 nan 0.000 0.421 454 Q N 0.922 120.701 119.800 -0.035 0.000 2.079 454 Q HA -0.148 4.191 4.340 -0.001 0.000 0.200 454 Q C 1.873 177.837 176.000 -0.060 0.000 0.974 454 Q CA 1.582 57.360 55.803 -0.042 0.000 0.840 454 Q CB -0.111 28.607 28.738 -0.034 0.000 0.898 454 Q HN 0.190 nan 8.270 nan 0.000 0.430 455 R N -0.633 119.825 120.500 -0.070 0.000 2.081 455 R HA -0.196 4.144 4.340 -0.001 0.000 0.235 455 R C 2.148 178.370 176.300 -0.131 0.000 1.131 455 R CA 1.760 57.799 56.100 -0.103 0.000 0.960 455 R CB -0.098 30.119 30.300 -0.139 0.000 0.856 455 R HN 0.253 nan 8.270 nan 0.000 0.436 456 Q N 0.422 120.149 119.800 -0.121 0.000 2.123 456 Q HA -0.058 4.282 4.340 -0.001 0.000 0.199 456 Q C 1.899 177.751 176.000 -0.246 0.000 0.966 456 Q CA 1.309 56.985 55.803 -0.212 0.000 0.845 456 Q CB -0.028 28.650 28.738 -0.100 0.000 0.907 456 Q HN 0.314 nan 8.270 nan 0.000 0.439 457 I N 1.113 121.640 120.570 -0.072 0.000 2.226 457 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 457 I C 1.398 177.486 176.117 -0.049 0.000 1.100 457 I CA 1.469 62.777 61.300 0.014 0.000 1.374 457 I CB -1.189 36.802 38.000 -0.016 0.000 1.057 457 I HN 0.264 nan 8.210 nan 0.000 0.413 458 D N 0.723 121.068 120.400 -0.093 0.000 2.144 458 D HA -0.128 4.512 4.640 -0.001 0.000 0.199 458 D C 2.445 178.655 176.300 -0.150 0.000 0.984 458 D CA 0.904 54.840 54.000 -0.107 0.000 0.834 458 D CB -0.178 40.565 40.800 -0.095 0.000 0.955 458 D HN 0.299 nan 8.370 nan 0.000 0.465 459 L N -0.481 120.628 121.223 -0.191 0.000 2.056 459 L HA -0.119 4.221 4.340 -0.001 0.000 0.207 459 L C 2.236 178.981 176.870 -0.209 0.000 1.078 459 L CA 0.682 55.411 54.840 -0.185 0.000 0.749 459 L CB -0.335 41.572 42.059 -0.253 0.000 0.901 459 L HN -0.044 nan 8.230 nan 0.000 0.433 460 F N 0.161 119.970 119.950 -0.236 0.000 2.234 460 F HA -0.157 4.370 4.527 -0.001 0.000 0.299 460 F C 2.656 178.243 175.800 -0.354 0.000 1.087 460 F CA 1.201 58.910 58.000 -0.485 0.000 1.340 460 F CB -1.221 37.417 39.000 -0.605 0.000 1.031 460 F HN 0.004 nan 8.300 nan 0.000 0.500 461 T N -0.463 114.049 114.554 -0.070 0.000 2.821 461 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 461 T C 1.979 176.580 174.700 -0.164 0.000 1.046 461 T CA 1.068 63.114 62.100 -0.089 0.000 1.139 461 T CB -0.140 68.672 68.868 -0.093 0.000 0.871 461 T HN 0.191 nan 8.240 nan 0.000 0.454 462 K N 0.612 120.832 120.400 -0.299 0.000 2.283 462 K HA 0.002 4.321 4.320 -0.001 0.000 0.202 462 K C 2.156 178.504 176.600 -0.420 0.000 1.048 462 K CA 0.643 56.583 56.287 -0.578 0.000 0.948 462 K CB -0.140 31.617 32.500 -1.237 0.000 0.742 462 K HN 0.193 nan 8.250 nan 0.000 0.458 463 V N -0.183 119.658 119.914 -0.122 0.000 2.346 463 V HA -0.097 4.023 4.120 -0.001 0.000 0.244 463 V C 0.699 176.870 176.094 0.128 0.000 1.037 463 V CA 1.113 63.488 62.300 0.125 0.000 1.029 463 V CB -0.246 31.694 31.823 0.194 0.000 0.663 463 V HN 0.380 nan 8.190 nan 0.000 0.454 464 H N -2.028 117.015 119.070 -0.045 0.000 3.153 464 H HA 0.193 4.748 4.556 -0.001 0.000 0.323 464 H C -2.613 172.689 175.328 -0.044 0.000 1.096 464 H CA -0.965 55.062 56.048 -0.035 0.000 1.385 464 H CB 2.235 31.951 29.762 -0.078 0.000 2.027 464 H HN -0.115 nan 8.280 nan 0.000 0.499 465 P HA -0.115 nan 4.420 nan 0.000 0.216 465 P C 0.917 178.306 177.300 0.149 0.000 1.150 465 P CA 1.439 64.584 63.100 0.075 0.000 0.843 465 P CB 0.436 32.139 31.700 0.004 0.000 0.787 466 E N -2.399 118.013 120.200 0.353 0.000 2.208 466 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 466 E C 1.758 178.398 176.600 0.067 0.000 0.988 466 E CA 0.538 57.050 56.400 0.187 0.000 0.828 466 E CB -0.457 29.384 29.700 0.235 0.000 0.763 466 E HN 0.283 nan 8.360 nan 0.000 0.478 467 Y N 1.291 121.494 120.300 -0.163 0.000 2.109 467 Y HA -0.077 4.473 4.550 -0.001 0.000 0.285 467 Y C 2.375 178.068 175.900 -0.346 0.000 1.131 467 Y CA 1.649 59.538 58.100 -0.353 0.000 1.121 467 Y CB -0.881 37.174 38.460 -0.676 0.000 0.987 467 Y HN -0.039 nan 8.280 nan 0.000 0.495 468 G N -0.463 108.328 108.800 -0.014 0.000 2.422 468 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.218 468 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.218 468 G C 1.840 176.653 174.900 -0.145 0.000 1.146 468 G CA 1.076 46.138 45.100 -0.063 0.000 0.769 468 G HN 0.577 nan 8.290 nan 0.000 0.547 469 A N 0.828 123.556 122.820 -0.153 0.000 1.930 469 A HA 0.215 4.535 4.320 -0.001 0.000 0.217 469 A C 2.680 180.070 177.584 -0.323 0.000 1.175 469 A CA 1.911 53.847 52.037 -0.168 0.000 0.627 469 A CB -0.916 18.025 19.000 -0.097 0.000 0.815 469 A HN 0.482 nan 8.150 nan 0.000 0.443 470 G N -0.678 107.745 108.800 -0.627 0.000 2.432 470 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.219 470 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.219 470 G C 1.450 175.752 174.900 -0.996 0.000 1.135 470 G CA 1.228 45.579 45.100 -1.248 0.000 0.767 470 G HN 0.308 nan 8.290 nan 0.000 0.550 471 V N 0.356 119.854 119.914 -0.693 0.000 2.379 471 V HA -0.092 4.027 4.120 -0.001 0.000 0.245 471 V C 2.527 178.504 176.094 -0.195 0.000 1.044 471 V CA 2.046 64.154 62.300 -0.319 0.000 1.036 471 V CB -0.167 31.502 31.823 -0.257 0.000 0.664 471 V HN 0.541 nan 8.190 nan 0.000 0.453 472 E N 0.409 120.501 120.200 -0.180 0.000 2.077 472 E HA -0.282 4.067 4.350 -0.001 0.000 0.193 472 E C 2.305 178.843 176.600 -0.104 0.000 0.989 472 E CA 1.585 57.917 56.400 -0.114 0.000 0.800 472 E CB -0.083 29.559 29.700 -0.096 0.000 0.746 472 E HN 0.533 nan 8.360 nan 0.000 0.452 473 K N -0.034 120.286 120.400 -0.132 0.000 2.025 473 K HA -0.115 4.204 4.320 -0.001 0.000 0.207 473 K C 2.049 178.614 176.600 -0.058 0.000 1.049 473 K CA 1.117 57.351 56.287 -0.089 0.000 0.933 473 K CB -0.180 32.262 32.500 -0.096 0.000 0.714 473 K HN 0.153 nan 8.250 nan 0.000 0.438 474 A N 1.185 123.967 122.820 -0.063 0.000 1.972 474 A HA -0.113 4.207 4.320 -0.001 0.000 0.219 474 A C 2.013 179.585 177.584 -0.019 0.000 1.169 474 A CA 1.256 53.289 52.037 -0.007 0.000 0.635 474 A CB -0.472 18.555 19.000 0.044 0.000 0.810 474 A HN 0.355 nan 8.150 nan 0.000 0.446 475 I N -1.029 119.515 120.570 -0.044 0.000 2.353 475 I HA -0.183 3.987 4.170 -0.001 0.000 0.248 475 I C 2.500 178.599 176.117 -0.031 0.000 1.119 475 I CA 1.492 62.767 61.300 -0.042 0.000 1.417 475 I CB -0.210 37.755 38.000 -0.058 0.000 1.078 475 I HN 0.351 nan 8.210 nan 0.000 0.421 476 K N 0.987 121.368 120.400 -0.032 0.000 2.057 476 K HA -0.133 4.187 4.320 -0.001 0.000 0.206 476 K C 2.072 178.663 176.600 -0.015 0.000 1.050 476 K CA 1.242 57.515 56.287 -0.024 0.000 0.935 476 K CB 0.123 32.607 32.500 -0.028 0.000 0.715 476 K HN 0.082 nan 8.250 nan 0.000 0.439 477 V N 1.532 121.439 119.914 -0.012 0.000 2.358 477 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 477 V C 2.242 178.335 176.094 -0.001 0.000 1.047 477 V CA 1.324 63.622 62.300 -0.003 0.000 1.035 477 V CB -0.380 31.446 31.823 0.005 0.000 0.658 477 V HN 0.335 nan 8.190 nan 0.000 0.452 478 L N 0.156 121.377 121.223 -0.002 0.000 2.017 478 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 478 L C 1.448 178.317 176.870 -0.003 0.000 1.073 478 L CA 1.631 56.471 54.840 -0.001 0.000 0.745 478 L CB -0.469 41.588 42.059 -0.003 0.000 0.894 478 L HN 0.416 nan 8.230 nan 0.000 0.432 479 E N 0.000 120.196 120.200 -0.007 0.000 2.725 479 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 479 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 479 E CB 0.000 29.694 29.700 -0.010 0.000 0.812 479 E HN 0.000 nan 8.360 nan 0.000 0.440