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 2dvm_1_C DATA FIRST_RESID 2 DATA SEQUENCE IREKALEFHK NNFPGNGKIE VIPKVSLESR EELTLAYTPG VAEPCKEIAR DATA SEQUENCE DPGKVYEYTS KGNLVAVVSD GSRILGLGNI GPLAGLPVME GKALLFKRFG DATA SEQUENCE GVDAFPIMIK EQEPNKFIDI VKAIAPTFGG INLEDIASPK CFYILERLRE DATA SEQUENCE ELDIPVFHDD QQGTAAVVLA GLLNALKVVG KKISEITLAL FGAGAAGFAT DATA SEQUENCE LRILTEAGVK PENVRVVELV NGKPRILTSD LDLEKLFPYR GWLLKKTNGE DATA SEQUENCE NIEGGPQEAL KDADVLISFT RPGPGVIKPQ WIEKMNEDAI VFPLANPVPE DATA SEQUENCE ILPEEAKKAG ARIVATGRSD YPNQINNLLG FPGIFRGALD VRARTITDSM DATA SEQUENCE IIAAAKAIAS IVEEPSEENI IPSPLNPIVY AREARAVAEE AMKEGVARTK DATA SEQUENCE VKGEWVEEHT IRLIEFYENV IAPINKKRRE YSKAITRA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.127 176.117 0.017 0.000 1.063 2 I CA 0.000 61.302 61.300 0.003 0.000 1.566 2 I CB 0.000 37.995 38.000 -0.008 0.000 1.214 3 R N 1.389 121.899 120.500 0.017 0.000 2.082 3 R HA -0.223 4.117 4.340 -0.000 0.000 0.234 3 R C 1.623 177.946 176.300 0.039 0.000 1.136 3 R CA 2.706 58.820 56.100 0.022 0.000 0.935 3 R CB -0.077 30.232 30.300 0.015 0.000 0.842 3 R HN 0.321 nan 8.270 nan 0.000 0.430 4 E N 0.477 120.699 120.200 0.037 0.000 2.058 4 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 4 E C 1.977 178.620 176.600 0.072 0.000 0.997 4 E CA 1.632 58.061 56.400 0.048 0.000 0.801 4 E CB -0.016 29.707 29.700 0.038 0.000 0.746 4 E HN 0.316 nan 8.360 nan 0.000 0.450 5 K N -0.136 120.304 120.400 0.067 0.000 2.057 5 K HA -0.045 4.275 4.320 -0.000 0.000 0.207 5 K C 2.120 178.804 176.600 0.140 0.000 1.049 5 K CA 1.085 57.426 56.287 0.090 0.000 0.931 5 K CB -0.147 32.385 32.500 0.053 0.000 0.714 5 K HN 0.124 nan 8.250 nan 0.000 0.440 6 A N 1.374 124.263 122.820 0.114 0.000 1.898 6 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 6 A C 2.107 179.882 177.584 0.318 0.000 1.181 6 A CA 1.138 53.283 52.037 0.181 0.000 0.620 6 A CB -0.560 18.497 19.000 0.095 0.000 0.819 6 A HN 0.139 nan 8.150 nan 0.000 0.442 7 L N -1.054 120.277 121.223 0.180 0.000 2.046 7 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 7 L C 2.658 179.655 176.870 0.213 0.000 1.077 7 L CA 1.703 56.638 54.840 0.157 0.000 0.747 7 L CB -0.502 41.603 42.059 0.076 0.000 0.896 7 L HN 0.369 nan 8.230 nan 0.000 0.432 8 E N 0.206 120.516 120.200 0.183 0.000 2.110 8 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 8 E C 1.925 178.636 176.600 0.186 0.000 0.988 8 E CA 1.146 57.638 56.400 0.155 0.000 0.804 8 E CB -0.292 29.481 29.700 0.121 0.000 0.745 8 E HN 0.362 nan 8.360 nan 0.000 0.458 9 F N -0.162 119.843 119.950 0.091 0.000 2.269 9 F HA -0.163 4.364 4.527 0.000 0.000 0.301 9 F C 1.541 177.303 175.800 -0.063 0.000 1.082 9 F CA 1.591 59.600 58.000 0.014 0.000 1.360 9 F CB -0.036 38.961 39.000 -0.006 0.000 1.041 9 F HN 0.159 nan 8.300 nan 0.000 0.512 10 H N -0.647 118.521 119.070 0.162 0.000 2.539 10 H HA 0.216 4.772 4.556 -0.000 0.000 0.267 10 H C 0.160 175.491 175.328 0.004 0.000 0.982 10 H CA 0.284 56.378 56.048 0.077 0.000 1.146 10 H CB 0.049 29.883 29.762 0.119 0.000 1.382 10 H HN 0.074 nan 8.280 nan 0.000 0.577 11 K N 0.959 121.408 120.400 0.082 0.000 2.156 11 K HA 0.174 4.494 4.320 -0.000 0.000 0.250 11 K C -0.122 176.480 176.600 0.003 0.000 0.955 11 K CA -0.865 55.452 56.287 0.049 0.000 0.855 11 K CB 1.236 33.776 32.500 0.067 0.000 1.101 11 K HN 0.139 nan 8.250 nan 0.000 0.434 12 N N 2.335 121.047 118.700 0.021 0.000 2.696 12 N HA -0.184 4.556 4.740 -0.000 0.000 0.256 12 N C -1.326 174.200 175.510 0.028 0.000 1.031 12 N CA 0.586 53.659 53.050 0.039 0.000 0.730 12 N CB -1.075 37.439 38.487 0.046 0.000 0.894 12 N HN 0.586 nan 8.380 nan 0.000 0.544 13 N N 0.916 119.618 118.700 0.004 0.000 2.800 13 N HA 0.137 4.877 4.740 -0.000 0.000 0.240 13 N C -0.174 175.363 175.510 0.045 0.000 1.096 13 N CA -0.389 52.656 53.050 -0.008 0.000 0.877 13 N CB 0.148 38.572 38.487 -0.105 0.000 1.138 13 N HN 0.208 nan 8.380 nan 0.000 0.509 14 F N 4.038 123.973 119.950 -0.026 0.000 2.579 14 F HA -0.023 4.504 4.527 -0.000 0.000 0.397 14 F C -1.459 174.299 175.800 -0.070 0.000 1.027 14 F CA -0.561 57.424 58.000 -0.025 0.000 1.217 14 F CB 0.515 39.528 39.000 0.022 0.000 0.986 14 F HN 0.324 nan 8.300 nan 0.000 0.551 15 P HA 0.333 nan 4.420 nan 0.000 0.285 15 P C 0.291 177.350 177.300 -0.401 0.000 1.259 15 P CA 0.613 63.123 63.100 -0.983 0.000 0.794 15 P CB 1.264 32.453 31.700 -0.852 0.000 0.940 16 G N 4.086 112.712 108.800 -0.289 0.000 2.547 16 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.271 16 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.271 16 G C -0.237 174.635 174.900 -0.047 0.000 1.209 16 G CA -0.207 44.826 45.100 -0.112 0.000 0.959 16 G HN 0.680 nan 8.290 nan 0.000 0.563 17 N N 1.027 119.707 118.700 -0.032 0.000 2.906 17 N HA 0.673 5.413 4.740 -0.000 0.000 0.327 17 N C 0.619 176.122 175.510 -0.011 0.000 1.344 17 N CA 0.929 53.975 53.050 -0.007 0.000 0.823 17 N CB 0.942 39.441 38.487 0.019 0.000 1.351 17 N HN 2.350 nan 8.380 nan 0.000 0.604 18 G N 0.069 108.879 108.800 0.017 0.000 2.698 18 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.225 18 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.225 18 G C -0.374 174.508 174.900 -0.031 0.000 1.345 18 G CA -0.174 44.942 45.100 0.027 0.000 0.871 18 G HN 0.554 nan 8.290 nan 0.000 0.540 19 K N -0.526 119.867 120.400 -0.011 0.000 2.438 19 K HA 0.349 4.669 4.320 -0.000 0.000 0.206 19 K C 0.933 177.531 176.600 -0.004 0.000 1.081 19 K CA 0.614 56.882 56.287 -0.032 0.000 1.053 19 K CB 0.705 33.206 32.500 0.001 0.000 0.908 19 K HN 0.696 nan 8.250 nan 0.000 0.556 20 I N -2.004 118.565 120.570 -0.002 0.000 2.785 20 I HA 0.520 4.690 4.170 -0.000 0.000 0.302 20 I C -1.133 175.001 176.117 0.029 0.000 1.069 20 I CA -0.866 60.447 61.300 0.021 0.000 1.045 20 I CB 2.279 40.284 38.000 0.008 0.000 1.236 20 I HN -0.142 nan 8.210 nan 0.000 0.429 21 E N 3.441 123.674 120.200 0.055 0.000 2.340 21 E HA 0.642 4.992 4.350 -0.000 0.000 0.273 21 E C -1.968 174.682 176.600 0.084 0.000 0.891 21 E CA -0.846 55.581 56.400 0.045 0.000 0.757 21 E CB 2.969 32.670 29.700 0.003 0.000 1.231 21 E HN 0.589 nan 8.360 nan 0.000 0.439 22 V N 5.333 125.289 119.914 0.071 0.000 2.378 22 V HA 0.432 4.552 4.120 -0.000 0.000 0.288 22 V C 0.042 176.147 176.094 0.018 0.000 1.016 22 V CA -0.530 61.808 62.300 0.062 0.000 0.840 22 V CB 0.708 32.559 31.823 0.048 0.000 0.994 22 V HN 0.562 nan 8.190 nan 0.000 0.431 23 I N 3.161 123.744 120.570 0.021 0.000 2.846 23 I HA 0.855 5.025 4.170 -0.000 0.000 0.307 23 I C -2.530 173.591 176.117 0.008 0.000 1.053 23 I CA -2.409 58.896 61.300 0.008 0.000 1.050 23 I CB 1.849 39.856 38.000 0.013 0.000 1.239 23 I HN 0.352 nan 8.210 nan 0.000 0.439 24 P HA 0.386 nan 4.420 nan 0.000 0.274 24 P C -0.599 176.713 177.300 0.020 0.000 1.237 24 P CA -0.607 62.494 63.100 0.003 0.000 0.793 24 P CB 0.711 32.409 31.700 -0.003 0.000 0.977 25 K N -0.048 120.364 120.400 0.020 0.000 2.374 25 K HA 0.204 4.524 4.320 -0.000 0.000 0.202 25 K C 0.222 176.839 176.600 0.027 0.000 1.040 25 K CA 0.002 56.307 56.287 0.030 0.000 1.085 25 K CB 0.518 33.029 32.500 0.018 0.000 0.873 25 K HN 0.349 nan 8.250 nan 0.000 0.539 26 V N -2.358 117.569 119.914 0.022 0.000 3.046 26 V HA 0.489 4.609 4.120 -0.000 0.000 0.316 26 V C -0.019 176.087 176.094 0.020 0.000 1.104 26 V CA -1.008 61.305 62.300 0.022 0.000 1.006 26 V CB 1.919 33.754 31.823 0.021 0.000 1.058 26 V HN -0.132 nan 8.190 nan 0.000 0.440 27 S N 1.941 117.653 115.700 0.020 0.000 2.565 27 S HA 0.651 5.121 4.470 -0.000 0.000 0.276 27 S C -0.003 174.605 174.600 0.014 0.000 1.326 27 S CA -0.374 57.836 58.200 0.017 0.000 1.045 27 S CB 0.465 63.676 63.200 0.018 0.000 0.918 27 S HN 0.671 nan 8.310 nan 0.000 0.505 28 L N 2.738 123.968 121.223 0.011 0.000 3.025 28 L HA 0.348 4.688 4.340 -0.000 0.000 0.307 28 L C 0.464 177.339 176.870 0.008 0.000 1.303 28 L CA -0.116 54.729 54.840 0.009 0.000 0.817 28 L CB 0.300 42.361 42.059 0.003 0.000 1.227 28 L HN 0.487 nan 8.230 nan 0.000 0.571 29 E N -0.175 120.031 120.200 0.009 0.000 2.434 29 E HA 0.128 4.478 4.350 -0.000 0.000 0.207 29 E C 0.928 177.533 176.600 0.009 0.000 0.929 29 E CA 0.258 56.663 56.400 0.009 0.000 1.001 29 E CB 0.878 30.583 29.700 0.009 0.000 1.016 29 E HN 0.413 nan 8.360 nan 0.000 0.502 30 S N 0.279 115.985 115.700 0.010 0.000 2.687 30 S HA 0.378 4.848 4.470 -0.000 0.000 0.283 30 S C 1.101 175.708 174.600 0.010 0.000 1.170 30 S CA -0.745 57.461 58.200 0.009 0.000 1.008 30 S CB 2.307 65.512 63.200 0.009 0.000 1.026 30 S HN -0.196 nan 8.310 nan 0.000 0.541 31 R N 0.977 121.482 120.500 0.009 0.000 2.081 31 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 31 R C 2.193 178.500 176.300 0.011 0.000 1.131 31 R CA 1.931 58.037 56.100 0.010 0.000 0.960 31 R CB -1.085 29.220 30.300 0.008 0.000 0.856 31 R HN 0.956 nan 8.270 nan 0.000 0.436 32 E N 1.044 121.249 120.200 0.009 0.000 2.077 32 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 32 E C 1.587 178.193 176.600 0.010 0.000 0.989 32 E CA 1.149 57.553 56.400 0.007 0.000 0.800 32 E CB 0.121 29.824 29.700 0.005 0.000 0.746 32 E HN 0.393 nan 8.360 nan 0.000 0.452 33 E N 0.445 120.653 120.200 0.013 0.000 2.097 33 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 33 E C 2.257 178.871 176.600 0.025 0.000 1.000 33 E CA 1.101 57.511 56.400 0.016 0.000 0.804 33 E CB -0.102 29.608 29.700 0.016 0.000 0.740 33 E HN 0.369 nan 8.360 nan 0.000 0.454 34 L N 0.788 122.028 121.223 0.028 0.000 2.141 34 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 34 L C 2.783 179.690 176.870 0.061 0.000 1.094 34 L CA 1.514 56.382 54.840 0.047 0.000 0.763 34 L CB -0.752 41.331 42.059 0.041 0.000 0.908 34 L HN 0.329 nan 8.230 nan 0.000 0.437 35 T N -2.961 111.613 114.554 0.033 0.000 3.072 35 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 35 T C 1.637 176.337 174.700 0.001 0.000 1.127 35 T CA 0.613 62.723 62.100 0.017 0.000 1.107 35 T CB -0.059 68.810 68.868 0.001 0.000 0.910 35 T HN 0.252 nan 8.240 nan 0.000 0.513 36 L N -0.095 121.135 121.223 0.011 0.000 2.362 36 L HA 0.440 4.780 4.340 -0.000 0.000 0.204 36 L C 3.178 180.056 176.870 0.014 0.000 1.060 36 L CA 0.645 55.484 54.840 -0.002 0.000 0.827 36 L CB -0.575 41.484 42.059 0.000 0.000 1.027 36 L HN 0.281 nan 8.230 nan 0.000 0.474 37 A N -0.991 121.855 122.820 0.044 0.000 1.969 37 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 37 A C 1.152 178.824 177.584 0.148 0.000 1.169 37 A CA 1.484 53.563 52.037 0.070 0.000 0.635 37 A CB -0.179 18.857 19.000 0.060 0.000 0.810 37 A HN 0.380 nan 8.150 nan 0.000 0.445 38 Y N -0.479 119.804 120.300 -0.029 0.000 3.323 38 Y HA 0.406 4.956 4.550 -0.000 0.000 0.285 38 Y C 0.702 176.582 175.900 -0.033 0.000 1.897 38 Y CA -0.436 57.645 58.100 -0.032 0.000 0.959 38 Y CB 0.176 38.619 38.460 -0.028 0.000 1.453 38 Y HN 0.065 nan 8.280 nan 0.000 0.602 39 T N 1.777 116.042 114.554 -0.481 0.000 2.926 39 T HA 0.229 4.579 4.350 -0.000 0.000 0.307 39 T C -2.046 172.584 174.700 -0.116 0.000 1.059 39 T CA -0.986 60.907 62.100 -0.345 0.000 1.122 39 T CB 1.118 69.750 68.868 -0.392 0.000 0.972 39 T HN 0.506 nan 8.240 nan 0.000 0.545 40 P HA 0.196 nan 4.420 nan 0.000 0.257 40 P C 1.615 178.837 177.300 -0.130 0.000 1.241 40 P CA 0.063 63.081 63.100 -0.136 0.000 0.816 40 P CB -0.180 31.464 31.700 -0.093 0.000 1.150 41 G N 1.159 109.898 108.800 -0.102 0.000 2.442 41 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 41 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 41 G C 1.536 176.366 174.900 -0.116 0.000 1.141 41 G CA 0.555 45.600 45.100 -0.092 0.000 0.763 41 G HN 0.256 nan 8.290 nan 0.000 0.554 42 V N 1.213 121.047 119.914 -0.133 0.000 2.867 42 V HA 0.007 4.127 4.120 -0.000 0.000 0.260 42 V C 2.991 178.994 176.094 -0.152 0.000 1.099 42 V CA 2.052 64.273 62.300 -0.133 0.000 1.122 42 V CB -0.475 31.265 31.823 -0.139 0.000 0.708 42 V HN 0.438 nan 8.190 nan 0.000 0.490 43 A N -0.734 121.989 122.820 -0.162 0.000 2.015 43 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 43 A C 2.066 179.569 177.584 -0.136 0.000 1.163 43 A CA 1.374 53.326 52.037 -0.142 0.000 0.646 43 A CB -0.346 18.575 19.000 -0.132 0.000 0.806 43 A HN 0.589 nan 8.150 nan 0.000 0.448 44 E N 0.077 120.186 120.200 -0.151 0.000 2.031 44 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 44 E C -0.357 176.092 176.600 -0.253 0.000 0.994 44 E CA 1.694 57.987 56.400 -0.178 0.000 0.800 44 E CB -1.651 27.942 29.700 -0.178 0.000 0.752 44 E HN 0.532 nan 8.360 nan 0.000 0.447 45 P HA -0.066 nan 4.420 nan 0.000 0.218 45 P C 1.383 178.569 177.300 -0.190 0.000 1.149 45 P CA 0.966 63.786 63.100 -0.466 0.000 0.817 45 P CB -0.129 31.316 31.700 -0.425 0.000 0.785 46 C N 0.504 119.725 119.300 -0.132 0.000 2.429 46 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 46 C C 2.714 177.666 174.990 -0.063 0.000 1.262 46 C CA 0.988 59.959 59.018 -0.077 0.000 1.733 46 C CB -1.397 26.295 27.740 -0.080 0.000 2.010 46 C HN 0.296 nan 8.230 nan 0.000 0.483 47 K N 0.529 120.880 120.400 -0.081 0.000 2.097 47 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 47 K C 1.998 178.575 176.600 -0.038 0.000 1.049 47 K CA 1.069 57.321 56.287 -0.059 0.000 0.933 47 K CB -0.164 32.295 32.500 -0.068 0.000 0.717 47 K HN 0.488 nan 8.250 nan 0.000 0.442 48 E N 0.951 121.122 120.200 -0.048 0.000 2.077 48 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 48 E C 2.059 178.697 176.600 0.063 0.000 0.989 48 E CA 1.062 57.474 56.400 0.019 0.000 0.800 48 E CB -0.174 29.555 29.700 0.048 0.000 0.746 48 E HN 0.369 nan 8.360 nan 0.000 0.452 49 I N 1.039 121.644 120.570 0.058 0.000 2.315 49 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 49 I C 2.444 178.575 176.117 0.023 0.000 1.117 49 I CA 0.889 62.222 61.300 0.055 0.000 1.404 49 I CB -0.324 37.700 38.000 0.040 0.000 1.071 49 I HN -0.024 nan 8.210 nan 0.000 0.419 50 A N 0.879 123.702 122.820 0.005 0.000 1.933 50 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 50 A C 2.458 180.045 177.584 0.004 0.000 1.175 50 A CA 1.714 53.749 52.037 -0.003 0.000 0.628 50 A CB -0.575 18.416 19.000 -0.014 0.000 0.814 50 A HN 0.378 nan 8.150 nan 0.000 0.444 51 R N -0.758 119.747 120.500 0.009 0.000 2.075 51 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 51 R C -0.526 175.786 176.300 0.020 0.000 1.114 51 R CA 1.499 57.606 56.100 0.012 0.000 0.972 51 R CB 0.084 30.392 30.300 0.013 0.000 0.869 51 R HN 0.394 nan 8.270 nan 0.000 0.437 52 D N -0.956 119.463 120.400 0.032 0.000 2.402 52 D HA 0.233 4.873 4.640 -0.000 0.000 0.252 52 D C -2.183 174.145 176.300 0.046 0.000 1.294 52 D CA -2.451 51.572 54.000 0.038 0.000 0.948 52 D CB 2.041 42.866 40.800 0.042 0.000 1.202 52 D HN -0.151 nan 8.370 nan 0.000 0.561 53 P HA -0.057 nan 4.420 nan 0.000 0.217 53 P C 1.398 178.737 177.300 0.064 0.000 1.148 53 P CA 1.208 64.331 63.100 0.039 0.000 0.828 53 P CB 0.307 32.028 31.700 0.034 0.000 0.783 54 G N -0.094 108.758 108.800 0.087 0.000 2.470 54 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 54 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 54 G C 1.452 176.436 174.900 0.140 0.000 1.121 54 G CA 0.486 45.672 45.100 0.144 0.000 0.766 54 G HN 0.207 nan 8.290 nan 0.000 0.553 55 K N 0.471 120.919 120.400 0.080 0.000 2.515 55 K HA 0.061 4.381 4.320 -0.000 0.000 0.196 55 K C 2.308 178.928 176.600 0.034 0.000 1.038 55 K CA 0.181 56.498 56.287 0.050 0.000 0.967 55 K CB -0.379 32.212 32.500 0.153 0.000 0.780 55 K HN 0.295 nan 8.250 nan 0.000 0.483 56 V N 0.469 120.388 119.914 0.009 0.000 2.490 56 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 56 V C 1.437 177.422 176.094 -0.182 0.000 1.061 56 V CA 1.583 63.825 62.300 -0.098 0.000 1.064 56 V CB -0.391 31.300 31.823 -0.220 0.000 0.670 56 V HN 0.225 nan 8.190 nan 0.000 0.461 57 Y N 0.322 120.588 120.300 -0.057 0.000 2.509 57 Y HA -0.037 4.513 4.550 0.000 0.000 0.293 57 Y C 2.484 178.296 175.900 -0.146 0.000 1.133 57 Y CA 1.575 59.631 58.100 -0.074 0.000 1.283 57 Y CB -0.027 38.397 38.460 -0.060 0.000 1.001 57 Y HN 0.415 nan 8.280 nan 0.000 0.555 58 E N -1.197 118.910 120.200 -0.155 0.000 2.250 58 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 58 E C 0.413 176.678 176.600 -0.558 0.000 0.986 58 E CA 0.770 56.902 56.400 -0.448 0.000 0.849 58 E CB 0.085 29.326 29.700 -0.765 0.000 0.797 58 E HN 0.492 nan 8.360 nan 0.000 0.482 59 Y N -0.237 120.062 120.300 -0.002 0.000 2.500 59 Y HA 0.223 4.774 4.550 0.000 0.000 0.246 59 Y C 0.393 176.272 175.900 -0.035 0.000 1.146 59 Y CA 0.042 58.132 58.100 -0.018 0.000 1.230 59 Y CB 0.845 39.290 38.460 -0.025 0.000 1.214 59 Y HN -0.024 nan 8.280 nan 0.000 0.526 60 T N -4.626 109.953 114.554 0.042 0.000 2.831 60 T HA 0.377 4.727 4.350 -0.000 0.000 0.287 60 T C 0.715 175.398 174.700 -0.028 0.000 1.070 60 T CA -0.632 61.461 62.100 -0.012 0.000 1.010 60 T CB 1.594 70.418 68.868 -0.073 0.000 1.264 60 T HN -0.173 nan 8.240 nan 0.000 0.532 61 S N -0.405 115.267 115.700 -0.047 0.000 2.593 61 S HA 0.124 4.594 4.470 -0.000 0.000 0.217 61 S C 1.693 176.275 174.600 -0.029 0.000 0.966 61 S CA -0.229 57.957 58.200 -0.024 0.000 0.914 61 S CB -0.376 62.805 63.200 -0.031 0.000 0.776 61 S HN 0.752 nan 8.310 nan 0.000 0.523 62 K N 1.998 122.341 120.400 -0.095 0.000 2.089 62 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 62 K C 2.130 178.768 176.600 0.063 0.000 1.048 62 K CA 1.629 57.845 56.287 -0.119 0.000 0.926 62 K CB -0.632 31.667 32.500 -0.335 0.000 0.714 62 K HN 0.433 nan 8.250 nan 0.000 0.448 63 G N 0.242 109.153 108.800 0.184 0.000 2.499 63 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.221 63 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.221 63 G C 1.222 176.274 174.900 0.255 0.000 1.109 63 G CA 1.192 46.521 45.100 0.383 0.000 0.749 63 G HN 0.411 nan 8.290 nan 0.000 0.568 64 N N -1.149 117.660 118.700 0.181 0.000 2.197 64 N HA 0.219 4.959 4.740 -0.000 0.000 0.228 64 N C -0.173 175.419 175.510 0.135 0.000 1.212 64 N CA -0.254 52.897 53.050 0.168 0.000 0.883 64 N CB 0.218 38.796 38.487 0.151 0.000 1.107 64 N HN 0.096 nan 8.380 nan 0.000 0.519 65 L N 0.919 122.223 121.223 0.135 0.000 2.289 65 L HA 0.529 4.869 4.340 -0.000 0.000 0.285 65 L C -0.677 176.327 176.870 0.224 0.000 1.049 65 L CA -0.744 54.191 54.840 0.158 0.000 0.804 65 L CB 1.680 43.793 42.059 0.090 0.000 1.195 65 L HN -0.208 nan 8.230 nan 0.000 0.428 66 V N 2.688 122.661 119.914 0.099 0.000 2.588 66 V HA 0.570 4.690 4.120 -0.000 0.000 0.304 66 V C -0.001 175.913 176.094 -0.300 0.000 1.042 66 V CA -0.705 61.496 62.300 -0.166 0.000 0.877 66 V CB 1.918 33.344 31.823 -0.663 0.000 0.996 66 V HN 0.822 nan 8.190 nan 0.000 0.425 67 A N 4.388 126.824 122.820 -0.639 0.000 2.289 67 A HA 0.692 5.012 4.320 -0.000 0.000 0.298 67 A C -0.388 176.904 177.584 -0.487 0.000 1.208 67 A CA -0.356 51.162 52.037 -0.865 0.000 0.845 67 A CB 0.784 18.834 19.000 -1.585 0.000 1.125 67 A HN 0.722 nan 8.150 nan 0.000 0.517 68 V N 4.740 124.455 119.914 -0.333 0.000 2.320 68 V HA 0.218 4.338 4.120 -0.000 0.000 0.265 68 V C -0.073 175.934 176.094 -0.145 0.000 1.048 68 V CA -0.217 61.957 62.300 -0.211 0.000 0.865 68 V CB 0.663 32.403 31.823 -0.138 0.000 1.043 68 V HN 0.591 nan 8.190 nan 0.000 0.474 69 V N 4.422 124.274 119.914 -0.104 0.000 2.427 69 V HA 0.713 4.833 4.120 -0.000 0.000 0.286 69 V C 0.154 176.286 176.094 0.063 0.000 1.034 69 V CA -0.001 62.274 62.300 -0.040 0.000 0.893 69 V CB 1.698 33.484 31.823 -0.062 0.000 0.982 69 V HN 0.831 nan 8.190 nan 0.000 0.452 70 S N 1.837 117.593 115.700 0.093 0.000 2.537 70 S HA 0.419 4.889 4.470 -0.000 0.000 0.270 70 S C -0.292 174.401 174.600 0.155 0.000 1.142 70 S CA -0.444 57.819 58.200 0.105 0.000 0.870 70 S CB 2.003 65.219 63.200 0.027 0.000 1.112 70 S HN 0.923 nan 8.310 nan 0.000 0.466 71 D N 1.446 121.919 120.400 0.121 0.000 2.363 71 D HA 0.218 4.858 4.640 -0.000 0.000 0.214 71 D C 1.212 177.530 176.300 0.030 0.000 1.093 71 D CA 0.590 54.660 54.000 0.117 0.000 0.837 71 D CB -0.315 40.539 40.800 0.090 0.000 0.948 71 D HN 1.208 nan 8.370 nan 0.000 0.507 72 G N 1.040 109.845 108.800 0.008 0.000 2.179 72 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.257 72 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.257 72 G C 1.036 175.926 174.900 -0.016 0.000 1.010 72 G CA 0.918 46.016 45.100 -0.002 0.000 0.736 72 G HN 0.618 nan 8.290 nan 0.000 0.513 73 S N -1.569 114.106 115.700 -0.041 0.000 2.496 73 S HA 0.247 4.717 4.470 -0.000 0.000 0.224 73 S C 1.136 175.715 174.600 -0.034 0.000 0.996 73 S CA 1.124 59.296 58.200 -0.046 0.000 0.927 73 S CB 0.383 63.532 63.200 -0.085 0.000 0.774 73 S HN 0.638 nan 8.310 nan 0.000 0.524 74 R N 0.814 121.296 120.500 -0.030 0.000 2.837 74 R HA 0.377 4.717 4.340 -0.000 0.000 0.245 74 R C -1.542 174.758 176.300 -0.000 0.000 1.712 74 R CA -0.263 55.830 56.100 -0.011 0.000 1.539 74 R CB 0.064 30.357 30.300 -0.012 0.000 1.490 74 R HN 0.199 nan 8.270 nan 0.000 0.667 75 I N 5.544 126.115 120.570 0.001 0.000 2.379 75 I HA 0.099 4.269 4.170 -0.000 0.000 0.290 75 I C 1.433 177.557 176.117 0.011 0.000 1.063 75 I CA 0.349 61.652 61.300 0.005 0.000 1.351 75 I CB -0.059 37.942 38.000 0.002 0.000 1.410 75 I HN 0.703 nan 8.210 nan 0.000 0.505 76 L N 5.420 126.652 121.223 0.015 0.000 5.704 76 L HA -0.325 4.015 4.340 -0.000 0.000 0.053 76 L C 1.440 178.325 176.870 0.025 0.000 2.571 76 L CA 1.533 56.385 54.840 0.020 0.000 1.641 76 L CB -1.555 40.514 42.059 0.017 0.000 2.792 76 L HN 0.732 nan 8.230 nan 0.000 0.961 77 G N -0.962 107.853 108.800 0.025 0.000 3.453 77 G HA2 0.487 4.447 3.960 -0.000 0.000 0.263 77 G HA3 0.487 4.447 3.960 -0.000 0.000 0.263 77 G C 0.879 175.793 174.900 0.023 0.000 1.060 77 G CA 0.008 45.125 45.100 0.029 0.000 0.793 77 G HN 0.307 nan 8.290 nan 0.000 0.532 78 L N -0.035 121.197 121.223 0.016 0.000 2.567 78 L HA 0.319 4.659 4.340 -0.000 0.000 0.225 78 L C 1.724 178.600 176.870 0.011 0.000 1.119 78 L CA 0.431 55.278 54.840 0.012 0.000 0.871 78 L CB -0.246 41.817 42.059 0.006 0.000 1.036 78 L HN 0.344 nan 8.230 nan 0.000 0.459 79 G N 1.060 109.867 108.800 0.012 0.000 2.553 79 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.242 79 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.242 79 G C -0.152 174.749 174.900 0.002 0.000 1.277 79 G CA -0.214 44.891 45.100 0.009 0.000 0.910 79 G HN 0.255 nan 8.290 nan 0.000 0.576 80 N N 1.650 120.350 118.700 -0.001 0.000 2.402 80 N HA 0.333 5.073 4.740 -0.000 0.000 0.259 80 N C 1.385 176.894 175.510 -0.001 0.000 1.167 80 N CA 0.299 53.346 53.050 -0.005 0.000 0.949 80 N CB -0.235 38.248 38.487 -0.007 0.000 1.212 80 N HN 0.905 nan 8.380 nan 0.000 0.493 81 I N 0.082 120.651 120.570 -0.001 0.000 4.082 81 I HA 0.475 4.645 4.170 -0.000 0.000 0.337 81 I C 0.827 176.945 176.117 0.002 0.000 1.352 81 I CA -0.402 60.899 61.300 0.000 0.000 1.097 81 I CB -0.029 37.971 38.000 -0.001 0.000 1.048 81 I HN 0.403 nan 8.210 nan 0.000 0.393 82 G N 2.746 111.548 108.800 0.003 0.000 2.712 82 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.683 82 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.683 82 G C -2.224 172.683 174.900 0.011 0.000 1.320 82 G CA -0.204 44.901 45.100 0.009 0.000 0.847 82 G HN 0.085 nan 8.290 nan 0.000 0.553 83 P HA -0.023 nan 4.420 nan 0.000 0.217 83 P C 2.170 179.476 177.300 0.009 0.000 1.151 83 P CA 1.340 64.452 63.100 0.020 0.000 0.828 83 P CB 0.134 31.852 31.700 0.030 0.000 0.788 84 L N -0.304 120.924 121.223 0.008 0.000 2.044 84 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 84 L C 2.818 179.687 176.870 -0.003 0.000 1.075 84 L CA 1.535 56.377 54.840 0.003 0.000 0.747 84 L CB -1.256 40.806 42.059 0.005 0.000 0.903 84 L HN -0.080 nan 8.230 nan 0.000 0.435 85 A N 0.127 122.945 122.820 -0.003 0.000 2.067 85 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 85 A C 2.215 179.792 177.584 -0.011 0.000 1.158 85 A CA 1.487 53.519 52.037 -0.009 0.000 0.661 85 A CB -0.857 18.139 19.000 -0.007 0.000 0.801 85 A HN 0.459 nan 8.150 nan 0.000 0.452 86 G N -0.948 107.849 108.800 -0.006 0.000 2.880 86 G HA2 0.141 4.101 3.960 -0.000 0.000 0.209 86 G HA3 0.141 4.101 3.960 -0.000 0.000 0.209 86 G C 1.246 176.142 174.900 -0.007 0.000 1.157 86 G CA 0.636 45.733 45.100 -0.005 0.000 0.779 86 G HN 0.389 nan 8.290 nan 0.000 0.539 87 L N 1.689 122.905 121.223 -0.010 0.000 2.042 87 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 87 L C -0.067 176.802 176.870 -0.002 0.000 1.076 87 L CA 1.887 56.717 54.840 -0.017 0.000 0.749 87 L CB -0.926 41.122 42.059 -0.019 0.000 0.893 87 L HN 0.046 nan 8.230 nan 0.000 0.432 88 P HA -0.129 nan 4.420 nan 0.000 0.216 88 P C 2.072 179.419 177.300 0.078 0.000 1.150 88 P CA 1.270 64.402 63.100 0.052 0.000 0.837 88 P CB 0.006 31.682 31.700 -0.041 0.000 0.786 89 V N -1.127 118.810 119.914 0.037 0.000 2.358 89 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 89 V C 2.247 178.361 176.094 0.033 0.000 1.047 89 V CA 1.622 63.947 62.300 0.041 0.000 1.035 89 V CB -1.003 30.832 31.823 0.019 0.000 0.658 89 V HN 0.090 nan 8.190 nan 0.000 0.452 90 M N -0.664 118.941 119.600 0.008 0.000 2.254 90 M HA -0.064 4.416 4.480 -0.000 0.000 0.265 90 M C 2.071 178.361 176.300 -0.016 0.000 1.066 90 M CA 1.176 56.467 55.300 -0.014 0.000 1.123 90 M CB -1.187 31.385 32.600 -0.047 0.000 1.388 90 M HN 0.423 nan 8.290 nan 0.000 0.425 91 E N -0.078 120.117 120.200 -0.009 0.000 2.106 91 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 91 E C 2.123 178.763 176.600 0.066 0.000 0.984 91 E CA 1.130 57.528 56.400 -0.004 0.000 0.806 91 E CB -0.253 29.458 29.700 0.018 0.000 0.750 91 E HN 0.600 nan 8.360 nan 0.000 0.458 92 G N 1.613 110.474 108.800 0.101 0.000 2.421 92 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 92 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 92 G C 1.645 176.625 174.900 0.134 0.000 1.171 92 G CA 0.959 46.138 45.100 0.132 0.000 0.775 92 G HN 0.075 nan 8.290 nan 0.000 0.543 93 K N 0.953 121.415 120.400 0.103 0.000 2.057 93 K HA 0.103 4.423 4.320 -0.000 0.000 0.207 93 K C 2.704 179.463 176.600 0.266 0.000 1.049 93 K CA 1.493 57.846 56.287 0.110 0.000 0.931 93 K CB -0.565 31.945 32.500 0.018 0.000 0.714 93 K HN 0.183 nan 8.250 nan 0.000 0.440 94 A N 0.629 123.569 122.820 0.202 0.000 1.908 94 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 94 A C 2.002 179.738 177.584 0.254 0.000 1.181 94 A CA 1.882 54.051 52.037 0.220 0.000 0.627 94 A CB -0.820 18.212 19.000 0.053 0.000 0.818 94 A HN 0.403 nan 8.150 nan 0.000 0.445 95 L N -1.892 119.446 121.223 0.191 0.000 2.275 95 L HA 0.051 4.391 4.340 -0.000 0.000 0.215 95 L C 1.992 178.968 176.870 0.176 0.000 1.119 95 L CA 1.291 56.231 54.840 0.167 0.000 0.790 95 L CB -0.916 41.226 42.059 0.138 0.000 0.919 95 L HN 0.250 nan 8.230 nan 0.000 0.443 96 L N -1.680 119.700 121.223 0.262 0.000 2.109 96 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 96 L C 2.499 179.542 176.870 0.288 0.000 1.086 96 L CA 0.992 56.028 54.840 0.326 0.000 0.760 96 L CB -0.547 41.732 42.059 0.367 0.000 0.910 96 L HN 0.173 nan 8.230 nan 0.000 0.437 97 F N 0.853 120.976 119.950 0.287 0.000 2.134 97 F HA -0.263 4.264 4.527 0.000 0.000 0.299 97 F C 2.657 178.490 175.800 0.054 0.000 1.097 97 F CA 1.749 59.872 58.000 0.204 0.000 1.264 97 F CB -0.215 38.876 39.000 0.152 0.000 1.001 97 F HN -0.054 nan 8.300 nan 0.000 0.479 98 K N 0.433 120.979 120.400 0.243 0.000 2.001 98 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 98 K C 2.199 178.718 176.600 -0.135 0.000 1.048 98 K CA 1.253 57.605 56.287 0.108 0.000 0.932 98 K CB -0.256 32.341 32.500 0.161 0.000 0.715 98 K HN -0.094 nan 8.250 nan 0.000 0.437 99 R N -0.596 119.683 120.500 -0.369 0.000 2.081 99 R HA -0.003 4.337 4.340 -0.000 0.000 0.235 99 R C 1.725 177.445 176.300 -0.968 0.000 1.131 99 R CA 1.807 57.330 56.100 -0.963 0.000 0.960 99 R CB -0.542 29.120 30.300 -1.063 0.000 0.856 99 R HN 0.302 nan 8.270 nan 0.000 0.436 100 F N -2.259 117.428 119.950 -0.439 0.000 2.582 100 F HA 0.373 4.900 4.527 -0.000 0.000 0.290 100 F C 2.024 177.402 175.800 -0.702 0.000 1.115 100 F CA 0.772 58.360 58.000 -0.687 0.000 1.445 100 F CB 0.176 38.591 39.000 -0.974 0.000 1.126 100 F HN 0.204 nan 8.300 nan 0.000 0.574 101 G N -1.395 107.257 108.800 -0.247 0.000 3.062 101 G HA2 0.360 4.320 3.960 -0.000 0.000 0.228 101 G HA3 0.360 4.320 3.960 -0.000 0.000 0.228 101 G C 1.408 176.297 174.900 -0.018 0.000 1.094 101 G CA 0.238 45.276 45.100 -0.103 0.000 0.782 101 G HN 0.477 nan 8.290 nan 0.000 0.541 102 G N -0.394 108.386 108.800 -0.032 0.000 2.168 102 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 102 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 102 G C 0.213 175.164 174.900 0.085 0.000 0.997 102 G CA 0.344 45.454 45.100 0.016 0.000 0.708 102 G HN 0.747 nan 8.290 nan 0.000 0.520 103 V N 1.067 121.067 119.914 0.145 0.000 2.465 103 V HA 0.277 4.397 4.120 -0.000 0.000 0.279 103 V C 0.287 176.462 176.094 0.136 0.000 1.045 103 V CA -0.703 61.696 62.300 0.165 0.000 0.938 103 V CB 1.635 33.603 31.823 0.242 0.000 0.986 103 V HN 0.261 nan 8.190 nan 0.000 0.467 104 D N 4.709 125.174 120.400 0.109 0.000 2.508 104 D HA 0.346 4.986 4.640 -0.000 0.000 0.224 104 D C 0.297 176.648 176.300 0.085 0.000 1.171 104 D CA 0.270 54.339 54.000 0.116 0.000 1.006 104 D CB 1.195 42.062 40.800 0.112 0.000 1.073 104 D HN 0.674 nan 8.370 nan 0.000 0.513 105 A N 2.371 125.218 122.820 0.045 0.000 2.304 105 A HA 0.564 4.884 4.320 -0.000 0.000 0.301 105 A C -0.753 176.904 177.584 0.121 0.000 1.132 105 A CA -0.457 51.538 52.037 -0.069 0.000 0.819 105 A CB 0.722 19.567 19.000 -0.257 0.000 1.094 105 A HN 0.425 nan 8.150 nan 0.000 0.492 106 F N 3.547 123.470 119.950 -0.043 0.000 2.561 106 F HA 0.597 5.124 4.527 -0.000 0.000 0.313 106 F C -2.499 173.275 175.800 -0.043 0.000 1.126 106 F CA -2.190 55.827 58.000 0.028 0.000 0.918 106 F CB 2.809 41.906 39.000 0.161 0.000 1.199 106 F HN 0.373 nan 8.300 nan 0.000 0.444 107 P HA 0.248 nan 4.420 nan 0.000 0.281 107 P C -0.974 176.193 177.300 -0.222 0.000 1.252 107 P CA -0.101 62.791 63.100 -0.348 0.000 0.778 107 P CB 1.403 32.900 31.700 -0.338 0.000 0.895 108 I N 5.113 125.632 120.570 -0.085 0.000 2.437 108 I HA 0.277 4.447 4.170 -0.000 0.000 0.279 108 I C 0.394 176.497 176.117 -0.023 0.000 1.028 108 I CA -0.799 60.498 61.300 -0.005 0.000 1.142 108 I CB 1.207 39.194 38.000 -0.023 0.000 1.266 108 I HN 0.233 nan 8.210 nan 0.000 0.461 109 M N 7.056 126.653 119.600 -0.004 0.000 2.144 109 M HA 0.466 4.946 4.480 -0.000 0.000 0.356 109 M C -0.134 176.184 176.300 0.031 0.000 1.217 109 M CA -0.289 55.021 55.300 0.016 0.000 1.087 109 M CB 1.281 33.886 32.600 0.008 0.000 1.609 109 M HN 0.283 nan 8.290 nan 0.000 0.467 110 I N 3.008 123.617 120.570 0.064 0.000 2.354 110 I HA 0.251 4.421 4.170 -0.000 0.000 0.292 110 I C 0.767 176.943 176.117 0.099 0.000 0.989 110 I CA -0.430 60.906 61.300 0.060 0.000 1.188 110 I CB 1.413 39.425 38.000 0.021 0.000 1.342 110 I HN 0.646 nan 8.210 nan 0.000 0.457 111 K N 5.635 126.073 120.400 0.064 0.000 2.751 111 K HA 0.188 4.508 4.320 -0.000 0.000 0.252 111 K C -0.610 176.034 176.600 0.073 0.000 1.277 111 K CA 0.086 56.410 56.287 0.061 0.000 1.226 111 K CB 0.073 32.597 32.500 0.039 0.000 1.658 111 K HN 0.476 nan 8.250 nan 0.000 0.303 112 E N 0.875 121.147 120.200 0.120 0.000 2.415 112 E HA 0.067 4.417 4.350 -0.000 0.000 0.302 112 E C -0.752 175.960 176.600 0.187 0.000 0.907 112 E CA -0.188 56.292 56.400 0.134 0.000 0.798 112 E CB 1.113 30.892 29.700 0.132 0.000 1.315 112 E HN 0.315 nan 8.360 nan 0.000 0.396 113 Q N 2.080 121.940 119.800 0.100 0.000 2.281 113 Q HA 0.150 4.490 4.340 -0.000 0.000 0.215 113 Q C -0.031 175.983 176.000 0.023 0.000 0.867 113 Q CA -0.159 55.667 55.803 0.038 0.000 0.940 113 Q CB 0.849 29.589 28.738 0.003 0.000 1.111 113 Q HN 0.443 nan 8.270 nan 0.000 0.513 114 E N 3.034 123.275 120.200 0.069 0.000 2.257 114 E HA 0.022 4.372 4.350 -0.000 0.000 0.278 114 E C -1.738 174.930 176.600 0.112 0.000 1.049 114 E CA -1.965 54.475 56.400 0.067 0.000 0.876 114 E CB 1.207 30.948 29.700 0.068 0.000 1.035 114 E HN -0.023 nan 8.360 nan 0.000 0.419 115 P HA -0.210 nan 4.420 nan 0.000 0.215 115 P C 0.573 178.031 177.300 0.262 0.000 1.163 115 P CA 1.647 64.849 63.100 0.169 0.000 0.894 115 P CB 0.221 32.048 31.700 0.211 0.000 0.791 116 N N -0.212 118.633 118.700 0.242 0.000 2.084 116 N HA -0.123 4.617 4.740 -0.000 0.000 0.190 116 N C 1.917 177.520 175.510 0.155 0.000 1.030 116 N CA 1.194 54.372 53.050 0.214 0.000 0.849 116 N CB -0.315 38.280 38.487 0.179 0.000 1.012 116 N HN 0.222 nan 8.380 nan 0.000 0.423 117 K N 0.243 120.727 120.400 0.140 0.000 2.057 117 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 117 K C 1.820 178.495 176.600 0.125 0.000 1.049 117 K CA 1.054 57.406 56.287 0.108 0.000 0.931 117 K CB -0.313 32.244 32.500 0.095 0.000 0.714 117 K HN 0.150 nan 8.250 nan 0.000 0.440 118 F N 1.973 121.936 119.950 0.022 0.000 2.091 118 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 118 F C 1.919 177.716 175.800 -0.005 0.000 1.103 118 F CA 1.425 59.428 58.000 0.005 0.000 1.228 118 F CB -0.153 38.846 39.000 -0.001 0.000 0.984 118 F HN -0.085 nan 8.300 nan 0.000 0.477 119 I N 0.308 121.015 120.570 0.229 0.000 2.163 119 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 119 I C 1.960 178.065 176.117 -0.021 0.000 1.085 119 I CA 1.687 63.040 61.300 0.089 0.000 1.347 119 I CB -0.603 37.442 38.000 0.076 0.000 1.044 119 I HN 0.120 nan 8.210 nan 0.000 0.408 120 D N 0.695 121.096 120.400 0.001 0.000 2.178 120 D HA -0.109 4.531 4.640 -0.000 0.000 0.202 120 D C 2.223 178.490 176.300 -0.056 0.000 0.974 120 D CA 1.229 55.219 54.000 -0.016 0.000 0.841 120 D CB -0.116 40.690 40.800 0.009 0.000 0.953 120 D HN 0.361 nan 8.370 nan 0.000 0.478 121 I N 0.190 120.697 120.570 -0.106 0.000 2.252 121 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 121 I C 2.342 178.352 176.117 -0.178 0.000 1.102 121 I CA 0.499 61.714 61.300 -0.142 0.000 1.385 121 I CB -0.056 37.829 38.000 -0.193 0.000 1.064 121 I HN -0.124 nan 8.210 nan 0.000 0.414 122 V N 0.957 120.705 119.914 -0.277 0.000 2.343 122 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 122 V C 2.387 178.426 176.094 -0.092 0.000 1.051 122 V CA 1.824 63.986 62.300 -0.229 0.000 1.036 122 V CB -0.720 30.940 31.823 -0.273 0.000 0.654 122 V HN 0.385 nan 8.190 nan 0.000 0.451 123 K N 0.394 120.755 120.400 -0.065 0.000 2.097 123 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 123 K C 2.248 178.843 176.600 -0.008 0.000 1.049 123 K CA 1.506 57.781 56.287 -0.021 0.000 0.933 123 K CB -0.404 32.087 32.500 -0.015 0.000 0.717 123 K HN 0.487 nan 8.250 nan 0.000 0.442 124 A N 1.593 124.400 122.820 -0.021 0.000 2.014 124 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 124 A C 1.948 179.538 177.584 0.008 0.000 1.163 124 A CA 1.029 53.061 52.037 -0.009 0.000 0.652 124 A CB -0.574 18.415 19.000 -0.017 0.000 0.808 124 A HN 0.467 nan 8.150 nan 0.000 0.449 125 I N -4.303 116.279 120.570 0.020 0.000 3.861 125 I HA 0.446 4.616 4.170 -0.000 0.000 0.329 125 I C 1.688 177.914 176.117 0.182 0.000 1.321 125 I CA 0.535 61.886 61.300 0.085 0.000 1.126 125 I CB 0.021 38.083 38.000 0.103 0.000 1.018 125 I HN 0.086 nan 8.210 nan 0.000 0.407 126 A N 2.358 125.252 122.820 0.123 0.000 1.969 126 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 126 A C 0.187 177.851 177.584 0.134 0.000 1.169 126 A CA 1.142 53.280 52.037 0.168 0.000 0.635 126 A CB -1.631 17.425 19.000 0.094 0.000 0.810 126 A HN 0.385 nan 8.150 nan 0.000 0.445 127 P HA -0.164 nan 4.420 nan 0.000 0.216 127 P C 1.412 178.628 177.300 -0.139 0.000 1.154 127 P CA 1.944 65.019 63.100 -0.043 0.000 0.865 127 P CB -0.209 31.460 31.700 -0.053 0.000 0.789 128 T N -1.729 112.672 114.554 -0.255 0.000 2.951 128 T HA -0.002 4.348 4.350 -0.000 0.000 0.268 128 T C 0.451 174.790 174.700 -0.601 0.000 1.073 128 T CA 0.832 62.615 62.100 -0.529 0.000 1.134 128 T CB -0.502 67.842 68.868 -0.873 0.000 0.884 128 T HN -0.068 nan 8.240 nan 0.000 0.479 129 F N -0.165 119.753 119.950 -0.053 0.000 2.399 129 F HA 0.575 5.102 4.527 -0.000 0.000 0.328 129 F C 1.451 177.265 175.800 0.024 0.000 1.084 129 F CA -1.251 56.736 58.000 -0.021 0.000 1.053 129 F CB 0.958 39.952 39.000 -0.011 0.000 1.209 129 F HN -0.105 nan 8.300 nan 0.000 0.502 130 G N 0.230 109.197 108.800 0.277 0.000 2.838 130 G HA2 0.453 4.413 3.960 -0.000 0.000 0.210 130 G HA3 0.453 4.413 3.960 -0.000 0.000 0.210 130 G C 0.267 175.351 174.900 0.307 0.000 1.153 130 G CA 0.404 45.683 45.100 0.299 0.000 0.778 130 G HN 1.003 nan 8.290 nan 0.000 0.539 131 G N -0.524 108.452 108.800 0.292 0.000 2.632 131 G HA2 0.460 4.420 3.960 -0.000 0.000 0.292 131 G HA3 0.460 4.420 3.960 -0.000 0.000 0.292 131 G C -1.854 173.147 174.900 0.168 0.000 1.465 131 G CA -0.658 44.638 45.100 0.325 0.000 0.824 131 G HN -0.016 nan 8.290 nan 0.000 0.509 132 I N 1.166 121.867 120.570 0.218 0.000 2.436 132 I HA 0.377 4.547 4.170 -0.000 0.000 0.289 132 I C -0.727 175.510 176.117 0.201 0.000 1.010 132 I CA -1.097 60.235 61.300 0.054 0.000 1.098 132 I CB 1.638 39.667 38.000 0.049 0.000 1.266 132 I HN 0.567 nan 8.210 nan 0.000 0.434 133 N N 6.826 125.527 118.700 0.002 0.000 2.564 133 N HA 0.448 5.188 4.740 -0.000 0.000 0.248 133 N C -1.014 174.573 175.510 0.128 0.000 0.986 133 N CA -0.404 52.760 53.050 0.190 0.000 0.921 133 N CB 0.835 39.345 38.487 0.038 0.000 1.136 133 N HN 0.478 nan 8.380 nan 0.000 0.509 134 L N 1.604 122.933 121.223 0.176 0.000 2.426 134 L HA 0.358 4.698 4.340 -0.000 0.000 0.271 134 L C 0.328 177.263 176.870 0.108 0.000 1.169 134 L CA 0.010 54.880 54.840 0.052 0.000 0.836 134 L CB 0.702 42.693 42.059 -0.112 0.000 1.112 134 L HN 0.591 nan 8.230 nan 0.000 0.465 135 E N 1.060 121.277 120.200 0.029 0.000 2.343 135 E HA 0.227 4.577 4.350 -0.000 0.000 0.278 135 E C -1.317 175.307 176.600 0.041 0.000 0.910 135 E CA -0.557 55.900 56.400 0.095 0.000 0.757 135 E CB 1.246 30.974 29.700 0.047 0.000 1.218 135 E HN 0.475 nan 8.360 nan 0.000 0.435 136 D N 2.429 122.893 120.400 0.106 0.000 2.697 136 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 136 D C -0.654 175.631 176.300 -0.025 0.000 1.167 136 D CA 0.886 54.915 54.000 0.047 0.000 0.656 136 D CB -0.729 40.081 40.800 0.018 0.000 1.025 136 D HN 0.283 nan 8.370 nan 0.000 0.419 137 I N -0.008 120.518 120.570 -0.074 0.000 2.412 137 I HA 0.538 4.708 4.170 -0.000 0.000 0.296 137 I C 1.157 177.194 176.117 -0.133 0.000 0.987 137 I CA -1.268 59.904 61.300 -0.214 0.000 1.180 137 I CB 1.202 38.928 38.000 -0.456 0.000 1.340 137 I HN 0.086 nan 8.210 nan 0.000 0.455 138 A N 4.577 127.319 122.820 -0.129 0.000 2.407 138 A HA 0.359 4.679 4.320 -0.000 0.000 0.248 138 A C 0.483 178.004 177.584 -0.105 0.000 1.082 138 A CA -0.048 51.939 52.037 -0.083 0.000 0.785 138 A CB 0.340 19.307 19.000 -0.055 0.000 1.020 138 A HN 0.748 nan 8.150 nan 0.000 0.489 139 S N 1.260 116.916 115.700 -0.072 0.000 2.610 139 S HA 0.518 4.988 4.470 -0.000 0.000 0.273 139 S C -1.093 173.546 174.600 0.065 0.000 1.274 139 S CA -0.931 57.230 58.200 -0.066 0.000 1.023 139 S CB 0.674 63.884 63.200 0.017 0.000 0.962 139 S HN 0.611 nan 8.310 nan 0.000 0.523 140 P HA 0.093 nan 4.420 nan 0.000 0.251 140 P C 0.805 178.294 177.300 0.316 0.000 1.223 140 P CA 0.184 63.502 63.100 0.363 0.000 0.796 140 P CB -0.005 31.970 31.700 0.459 0.000 1.068 141 K N 0.760 121.243 120.400 0.138 0.000 2.281 141 K HA -0.145 4.175 4.320 -0.000 0.000 0.203 141 K C 1.910 178.461 176.600 -0.081 0.000 1.046 141 K CA 1.752 58.079 56.287 0.068 0.000 0.938 141 K CB -1.389 31.111 32.500 -0.001 0.000 0.737 141 K HN 0.251 nan 8.250 nan 0.000 0.458 142 C N -0.383 118.781 119.300 -0.228 0.000 2.432 142 C HA 0.103 4.563 4.460 -0.000 0.000 0.282 142 C C 2.154 177.005 174.990 -0.233 0.000 1.388 142 C CA -0.453 58.381 59.018 -0.306 0.000 1.777 142 C CB -1.377 26.169 27.740 -0.324 0.000 1.882 142 C HN 0.315 nan 8.230 nan 0.000 0.520 143 F N 0.395 120.364 119.950 0.032 0.000 2.146 143 F HA 0.026 4.553 4.527 0.000 0.000 0.298 143 F C 2.570 178.284 175.800 -0.143 0.000 1.096 143 F CA 1.709 59.721 58.000 0.020 0.000 1.275 143 F CB -1.342 37.721 39.000 0.104 0.000 1.008 143 F HN 0.243 nan 8.300 nan 0.000 0.480 144 Y N 0.663 120.730 120.300 -0.388 0.000 2.163 144 Y HA -0.146 4.404 4.550 -0.000 0.000 0.288 144 Y C 2.231 178.010 175.900 -0.203 0.000 1.136 144 Y CA 1.281 59.075 58.100 -0.509 0.000 1.147 144 Y CB -0.600 37.396 38.460 -0.773 0.000 0.987 144 Y HN 0.008 nan 8.280 nan 0.000 0.509 145 I N -0.538 119.937 120.570 -0.159 0.000 2.226 145 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 145 I C 2.291 178.334 176.117 -0.124 0.000 1.100 145 I CA 1.275 62.477 61.300 -0.163 0.000 1.374 145 I CB -0.464 37.463 38.000 -0.122 0.000 1.057 145 I HN 0.312 nan 8.210 nan 0.000 0.413 146 L N 0.955 122.133 121.223 -0.076 0.000 2.017 146 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 146 L C 2.439 179.297 176.870 -0.021 0.000 1.073 146 L CA 1.923 56.759 54.840 -0.006 0.000 0.745 146 L CB -0.726 41.373 42.059 0.068 0.000 0.894 146 L HN 0.240 nan 8.230 nan 0.000 0.432 147 E N -0.867 119.303 120.200 -0.050 0.000 2.058 147 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 147 E C 2.256 178.779 176.600 -0.128 0.000 0.997 147 E CA 1.028 57.388 56.400 -0.067 0.000 0.801 147 E CB -0.024 29.636 29.700 -0.068 0.000 0.746 147 E HN 0.403 nan 8.360 nan 0.000 0.450 148 R N 0.117 120.464 120.500 -0.256 0.000 2.075 148 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 148 R C 2.549 178.774 176.300 -0.124 0.000 1.126 148 R CA 0.841 56.785 56.100 -0.260 0.000 0.963 148 R CB -0.494 29.520 30.300 -0.477 0.000 0.858 148 R HN 0.333 nan 8.270 nan 0.000 0.435 149 L N -0.035 121.138 121.223 -0.083 0.000 2.217 149 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 149 L C 2.620 179.493 176.870 0.006 0.000 1.107 149 L CA 0.879 55.708 54.840 -0.019 0.000 0.783 149 L CB -0.277 41.793 42.059 0.018 0.000 0.919 149 L HN 0.104 nan 8.230 nan 0.000 0.442 150 R N 0.043 120.544 120.500 0.003 0.000 2.115 150 R HA -0.149 4.191 4.340 -0.000 0.000 0.230 150 R C 2.015 178.319 176.300 0.008 0.000 1.111 150 R CA 1.274 57.387 56.100 0.022 0.000 0.976 150 R CB -0.004 30.309 30.300 0.022 0.000 0.870 150 R HN 0.472 nan 8.270 nan 0.000 0.445 151 E N -0.399 119.791 120.200 -0.015 0.000 2.122 151 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 151 E C 1.685 178.280 176.600 -0.007 0.000 0.977 151 E CA 0.545 56.935 56.400 -0.016 0.000 0.820 151 E CB 0.254 29.934 29.700 -0.033 0.000 0.770 151 E HN 0.222 nan 8.360 nan 0.000 0.462 152 E N 0.422 120.615 120.200 -0.011 0.000 2.190 152 E HA 0.057 4.407 4.350 -0.000 0.000 0.191 152 E C 0.791 177.399 176.600 0.013 0.000 0.978 152 E CA 0.237 56.635 56.400 -0.003 0.000 0.839 152 E CB 0.274 29.966 29.700 -0.014 0.000 0.787 152 E HN 0.212 nan 8.360 nan 0.000 0.473 153 L N 1.823 123.060 121.223 0.023 0.000 2.418 153 L HA 0.112 4.452 4.340 -0.000 0.000 0.265 153 L C 0.865 177.766 176.870 0.051 0.000 1.143 153 L CA -0.107 54.757 54.840 0.041 0.000 0.809 153 L CB 0.547 42.640 42.059 0.056 0.000 1.124 153 L HN -0.167 nan 8.230 nan 0.000 0.456 154 D N 2.072 122.509 120.400 0.062 0.000 2.368 154 D HA 0.239 4.879 4.640 -0.000 0.000 0.218 154 D C -0.009 176.351 176.300 0.101 0.000 1.112 154 D CA 0.344 54.386 54.000 0.070 0.000 0.834 154 D CB 0.472 41.311 40.800 0.065 0.000 0.953 154 D HN 0.371 nan 8.370 nan 0.000 0.505 155 I N -2.766 117.871 120.570 0.111 0.000 2.934 155 I HA 0.534 4.704 4.170 -0.000 0.000 0.306 155 I C -2.845 173.353 176.117 0.134 0.000 1.110 155 I CA -2.656 58.732 61.300 0.147 0.000 1.019 155 I CB 2.530 40.639 38.000 0.183 0.000 1.227 155 I HN -0.387 nan 8.210 nan 0.000 0.434 156 P HA 0.109 nan 4.420 nan 0.000 0.271 156 P C -0.829 176.591 177.300 0.199 0.000 1.218 156 P CA -0.026 63.152 63.100 0.129 0.000 0.780 156 P CB 2.164 33.906 31.700 0.070 0.000 0.901 157 V N 3.901 123.934 119.914 0.198 0.000 2.962 157 V HA 0.749 4.869 4.120 -0.000 0.000 0.313 157 V C -1.569 174.754 176.094 0.382 0.000 1.099 157 V CA -0.798 61.667 62.300 0.276 0.000 0.971 157 V CB 1.857 33.787 31.823 0.179 0.000 1.028 157 V HN 0.505 nan 8.190 nan 0.000 0.430 158 F N 3.743 123.855 119.950 0.269 0.000 2.654 158 F HA 0.553 5.080 4.527 -0.000 0.000 0.308 158 F C -0.933 175.059 175.800 0.321 0.000 1.108 158 F CA -0.556 57.610 58.000 0.277 0.000 0.957 158 F CB 1.829 41.060 39.000 0.385 0.000 1.309 158 F HN 0.702 nan 8.300 nan 0.000 0.446 159 H N 3.704 122.640 119.070 -0.222 0.000 2.887 159 H HA 0.207 4.763 4.556 0.000 0.000 0.300 159 H C -0.083 175.061 175.328 -0.306 0.000 1.038 159 H CA -0.465 55.502 56.048 -0.135 0.000 1.352 159 H CB 1.242 30.921 29.762 -0.137 0.000 1.473 159 H HN 0.836 nan 8.280 nan 0.000 0.503 160 D N 3.179 123.631 120.400 0.087 0.000 2.123 160 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 160 D C 0.977 177.158 176.300 -0.197 0.000 0.992 160 D CA 2.013 56.036 54.000 0.038 0.000 0.833 160 D CB 0.340 41.241 40.800 0.167 0.000 0.954 160 D HN 0.744 nan 8.370 nan 0.000 0.455 161 D N -0.670 119.512 120.400 -0.364 0.000 2.182 161 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 161 D C 1.984 177.996 176.300 -0.480 0.000 0.986 161 D CA 0.924 54.682 54.000 -0.403 0.000 0.847 161 D CB 0.065 40.628 40.800 -0.395 0.000 0.942 161 D HN 0.411 nan 8.370 nan 0.000 0.467 162 Q N -0.198 119.194 119.800 -0.680 0.000 2.103 162 Q HA 0.031 4.371 4.340 -0.000 0.000 0.193 162 Q C 2.230 178.054 176.000 -0.293 0.000 0.986 162 Q CA 0.471 56.030 55.803 -0.406 0.000 0.834 162 Q CB -0.020 28.529 28.738 -0.316 0.000 0.915 162 Q HN 0.232 nan 8.270 nan 0.000 0.483 163 Q N 0.043 119.593 119.800 -0.418 0.000 2.167 163 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 163 Q C 1.975 177.909 176.000 -0.110 0.000 0.970 163 Q CA 1.185 56.755 55.803 -0.388 0.000 0.855 163 Q CB -0.146 28.087 28.738 -0.843 0.000 0.911 163 Q HN 0.438 nan 8.270 nan 0.000 0.438 164 G N 0.249 109.028 108.800 -0.035 0.000 2.394 164 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 164 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 164 G C 1.389 176.388 174.900 0.164 0.000 1.165 164 G CA 1.120 46.428 45.100 0.346 0.000 0.784 164 G HN 0.226 nan 8.290 nan 0.000 0.535 165 T N 1.840 116.416 114.554 0.036 0.000 2.684 165 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 165 T C 2.825 177.549 174.700 0.041 0.000 1.036 165 T CA 1.675 63.780 62.100 0.008 0.000 1.148 165 T CB -0.432 68.346 68.868 -0.149 0.000 0.863 165 T HN 0.361 nan 8.240 nan 0.000 0.436 166 A N 1.483 124.303 122.820 0.001 0.000 1.908 166 A HA 0.075 4.395 4.320 -0.000 0.000 0.218 166 A C 2.659 180.293 177.584 0.084 0.000 1.181 166 A CA 2.028 54.087 52.037 0.036 0.000 0.627 166 A CB -1.190 17.809 19.000 -0.001 0.000 0.818 166 A HN 0.524 nan 8.150 nan 0.000 0.445 167 A N -0.642 122.242 122.820 0.107 0.000 1.877 167 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 167 A C 2.211 179.851 177.584 0.094 0.000 1.186 167 A CA 1.977 54.083 52.037 0.115 0.000 0.620 167 A CB -0.933 18.166 19.000 0.164 0.000 0.822 167 A HN 0.476 nan 8.150 nan 0.000 0.443 168 V N -0.581 119.391 119.914 0.097 0.000 2.548 168 V HA -0.153 3.967 4.120 -0.000 0.000 0.249 168 V C 2.487 178.634 176.094 0.090 0.000 1.055 168 V CA 1.583 63.923 62.300 0.068 0.000 1.065 168 V CB -0.530 31.325 31.823 0.054 0.000 0.681 168 V HN 0.348 nan 8.190 nan 0.000 0.462 169 V N -0.068 119.932 119.914 0.144 0.000 2.358 169 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 169 V C 2.368 178.599 176.094 0.229 0.000 1.047 169 V CA 1.924 64.363 62.300 0.231 0.000 1.035 169 V CB -0.467 31.551 31.823 0.324 0.000 0.658 169 V HN 0.513 nan 8.190 nan 0.000 0.452 170 L N 0.992 122.304 121.223 0.149 0.000 2.046 170 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 170 L C 2.452 179.381 176.870 0.099 0.000 1.077 170 L CA 2.326 57.231 54.840 0.109 0.000 0.747 170 L CB -1.037 41.066 42.059 0.074 0.000 0.896 170 L HN 0.215 nan 8.230 nan 0.000 0.432 171 A N -0.421 122.448 122.820 0.082 0.000 1.883 171 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 171 A C 2.351 179.980 177.584 0.075 0.000 1.186 171 A CA 1.750 53.819 52.037 0.055 0.000 0.624 171 A CB -1.635 17.379 19.000 0.023 0.000 0.822 171 A HN 0.532 nan 8.150 nan 0.000 0.444 172 G N -0.511 108.354 108.800 0.110 0.000 2.408 172 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 172 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 172 G C 1.483 176.561 174.900 0.296 0.000 1.150 172 G CA 1.168 46.358 45.100 0.151 0.000 0.776 172 G HN 0.483 nan 8.290 nan 0.000 0.542 173 L N 0.512 121.921 121.223 0.310 0.000 2.056 173 L HA 0.132 4.472 4.340 -0.000 0.000 0.207 173 L C 2.706 179.613 176.870 0.062 0.000 1.078 173 L CA 1.276 56.200 54.840 0.139 0.000 0.749 173 L CB -0.494 41.585 42.059 0.033 0.000 0.901 173 L HN 0.200 nan 8.230 nan 0.000 0.433 174 L N -0.273 120.987 121.223 0.061 0.000 2.013 174 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 174 L C 2.287 179.176 176.870 0.031 0.000 1.073 174 L CA 1.488 56.347 54.840 0.032 0.000 0.753 174 L CB -0.788 41.288 42.059 0.029 0.000 0.890 174 L HN 0.388 nan 8.230 nan 0.000 0.432 175 N N -0.167 118.561 118.700 0.046 0.000 2.270 175 N HA -0.079 4.661 4.740 -0.000 0.000 0.181 175 N C 1.841 177.377 175.510 0.043 0.000 1.016 175 N CA 1.315 54.387 53.050 0.037 0.000 0.870 175 N CB -0.222 38.286 38.487 0.035 0.000 0.979 175 N HN 0.297 nan 8.380 nan 0.000 0.431 176 A N 1.167 124.031 122.820 0.073 0.000 1.902 176 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 176 A C 2.323 179.913 177.584 0.010 0.000 1.181 176 A CA 0.887 52.962 52.037 0.064 0.000 0.623 176 A CB -0.707 18.356 19.000 0.105 0.000 0.818 176 A HN 0.206 nan 8.150 nan 0.000 0.443 177 L N -0.620 120.599 121.223 -0.007 0.000 2.083 177 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 177 L C 2.636 179.499 176.870 -0.011 0.000 1.083 177 L CA 1.865 56.692 54.840 -0.022 0.000 0.752 177 L CB -0.417 41.625 42.059 -0.028 0.000 0.899 177 L HN 0.483 nan 8.230 nan 0.000 0.433 178 K N 0.250 120.649 120.400 -0.001 0.000 2.057 178 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 178 K C 2.002 178.602 176.600 -0.000 0.000 1.049 178 K CA 1.414 57.701 56.287 -0.000 0.000 0.931 178 K CB 0.029 32.532 32.500 0.004 0.000 0.714 178 K HN 0.084 nan 8.250 nan 0.000 0.440 179 V N 1.319 121.235 119.914 0.004 0.000 2.295 179 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 179 V C 2.238 178.330 176.094 -0.002 0.000 1.049 179 V CA 1.866 64.168 62.300 0.003 0.000 1.024 179 V CB -0.157 31.672 31.823 0.010 0.000 0.648 179 V HN 0.451 nan 8.190 nan 0.000 0.447 180 V N -1.300 118.610 119.914 -0.007 0.000 3.573 180 V HA 0.461 4.581 4.120 -0.000 0.000 0.270 180 V C 1.421 177.507 176.094 -0.014 0.000 1.221 180 V CA 0.600 62.892 62.300 -0.012 0.000 1.163 180 V CB -0.794 31.017 31.823 -0.020 0.000 0.847 180 V HN 0.804 nan 8.190 nan 0.000 0.468 181 G N 0.550 109.343 108.800 -0.012 0.000 2.272 181 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.280 181 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.280 181 G C -0.062 174.829 174.900 -0.015 0.000 1.067 181 G CA 0.658 45.752 45.100 -0.012 0.000 0.902 181 G HN 0.690 nan 8.290 nan 0.000 0.500 182 K N -0.609 119.780 120.400 -0.019 0.000 2.340 182 K HA 0.584 4.904 4.320 -0.000 0.000 0.244 182 K C 0.042 176.629 176.600 -0.022 0.000 0.973 182 K CA -0.963 55.310 56.287 -0.023 0.000 0.828 182 K CB 1.902 34.383 32.500 -0.033 0.000 1.226 182 K HN 0.110 nan 8.250 nan 0.000 0.437 183 K N 1.478 121.865 120.400 -0.022 0.000 2.159 183 K HA 0.257 4.577 4.320 -0.000 0.000 0.266 183 K C 0.939 177.524 176.600 -0.025 0.000 0.975 183 K CA -0.303 55.972 56.287 -0.020 0.000 0.865 183 K CB 1.523 34.014 32.500 -0.015 0.000 1.087 183 K HN 0.549 nan 8.250 nan 0.000 0.446 184 I N 1.946 122.502 120.570 -0.023 0.000 2.335 184 I HA -0.305 3.865 4.170 -0.000 0.000 0.251 184 I C 1.759 177.860 176.117 -0.026 0.000 1.129 184 I CA 1.728 63.011 61.300 -0.028 0.000 1.402 184 I CB 0.183 38.171 38.000 -0.020 0.000 1.069 184 I HN 0.668 nan 8.210 nan 0.000 0.424 185 S N -0.945 114.743 115.700 -0.020 0.000 2.562 185 S HA 0.037 4.507 4.470 -0.000 0.000 0.221 185 S C 1.312 175.900 174.600 -0.020 0.000 0.975 185 S CA 0.253 58.442 58.200 -0.018 0.000 0.918 185 S CB -0.165 63.029 63.200 -0.011 0.000 0.772 185 S HN 0.600 nan 8.310 nan 0.000 0.531 186 E N 0.886 121.073 120.200 -0.023 0.000 2.562 186 E HA 0.298 4.648 4.350 -0.000 0.000 0.214 186 E C 0.388 176.971 176.600 -0.029 0.000 0.979 186 E CA -0.269 56.117 56.400 -0.023 0.000 1.002 186 E CB 0.426 30.115 29.700 -0.019 0.000 1.048 186 E HN 0.755 nan 8.360 nan 0.000 0.488 187 I N -1.030 119.519 120.570 -0.036 0.000 2.764 187 I HA 0.291 4.461 4.170 -0.000 0.000 0.294 187 I C -0.030 176.060 176.117 -0.044 0.000 1.045 187 I CA -0.459 60.814 61.300 -0.045 0.000 1.340 187 I CB 1.230 39.194 38.000 -0.060 0.000 1.436 187 I HN -0.342 nan 8.210 nan 0.000 0.567 188 T N 6.258 120.785 114.554 -0.046 0.000 2.758 188 T HA 0.519 4.869 4.350 -0.000 0.000 0.285 188 T C -0.560 174.110 174.700 -0.051 0.000 0.981 188 T CA -0.294 61.781 62.100 -0.042 0.000 0.965 188 T CB 1.036 69.884 68.868 -0.033 0.000 0.927 188 T HN 0.486 nan 8.240 nan 0.000 0.448 189 L N 3.717 124.911 121.223 -0.048 0.000 2.307 189 L HA 0.823 5.163 4.340 -0.000 0.000 0.284 189 L C -0.417 176.442 176.870 -0.019 0.000 1.023 189 L CA -0.631 54.177 54.840 -0.053 0.000 0.810 189 L CB 1.029 43.051 42.059 -0.061 0.000 1.231 189 L HN 0.662 nan 8.230 nan 0.000 0.423 190 A N 5.561 128.377 122.820 -0.007 0.000 2.256 190 A HA 0.614 4.934 4.320 -0.000 0.000 0.317 190 A C -1.196 176.468 177.584 0.134 0.000 1.318 190 A CA -0.433 51.663 52.037 0.098 0.000 0.894 190 A CB 0.372 19.447 19.000 0.125 0.000 1.165 190 A HN 0.708 nan 8.150 nan 0.000 0.525 191 L N 3.726 125.069 121.223 0.200 0.000 2.280 191 L HA 0.701 5.041 4.340 -0.000 0.000 0.287 191 L C -1.641 175.472 176.870 0.405 0.000 1.023 191 L CA -0.400 54.571 54.840 0.218 0.000 0.819 191 L CB 0.426 42.546 42.059 0.102 0.000 1.212 191 L HN 0.487 nan 8.230 nan 0.000 0.420 192 F N 4.626 124.575 119.950 -0.001 0.000 2.361 192 F HA 0.745 5.272 4.527 -0.000 0.000 0.364 192 F C 0.951 176.797 175.800 0.077 0.000 1.120 192 F CA -0.785 57.224 58.000 0.015 0.000 1.102 192 F CB 0.914 39.921 39.000 0.012 0.000 1.183 192 F HN 0.685 nan 8.300 nan 0.000 0.476 193 G N 1.993 110.906 108.800 0.188 0.000 3.225 193 G HA2 0.366 4.326 3.960 -0.000 0.000 0.686 193 G HA3 0.366 4.326 3.960 -0.000 0.000 0.686 193 G C -0.519 174.472 174.900 0.153 0.000 1.105 193 G CA -0.536 44.675 45.100 0.185 0.000 0.831 193 G HN 1.167 nan 8.290 nan 0.000 0.578 194 A N 1.589 124.453 122.820 0.073 0.000 2.705 194 A HA 0.811 5.131 4.320 -0.000 0.000 0.294 194 A C 1.278 178.967 177.584 0.175 0.000 1.039 194 A CA 1.094 53.169 52.037 0.064 0.000 1.005 194 A CB -0.083 18.803 19.000 -0.189 0.000 1.192 194 A HN 2.142 nan 8.150 nan 0.000 0.513 195 G N -1.046 107.894 108.800 0.234 0.000 2.582 195 G HA2 0.445 4.405 3.960 -0.000 0.000 0.232 195 G HA3 0.445 4.405 3.960 -0.000 0.000 0.232 195 G C 1.348 176.503 174.900 0.426 0.000 1.458 195 G CA 0.288 45.578 45.100 0.317 0.000 1.062 195 G HN 0.691 nan 8.290 nan 0.000 0.566 196 A N -0.546 122.406 122.820 0.221 0.000 1.884 196 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 196 A C 2.729 180.315 177.584 0.003 0.000 1.197 196 A CA 3.295 55.360 52.037 0.047 0.000 0.637 196 A CB -1.117 17.790 19.000 -0.155 0.000 0.827 196 A HN 1.268 nan 8.150 nan 0.000 0.450 197 A N -1.031 121.680 122.820 -0.182 0.000 1.872 197 A HA 0.251 4.571 4.320 -0.000 0.000 0.214 197 A C 2.465 179.714 177.584 -0.558 0.000 1.187 197 A CA 1.758 53.469 52.037 -0.543 0.000 0.614 197 A CB -1.420 16.992 19.000 -0.980 0.000 0.826 197 A HN 0.775 nan 8.150 nan 0.000 0.442 198 G N -1.127 107.524 108.800 -0.248 0.000 2.446 198 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 198 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 198 G C 1.493 176.447 174.900 0.090 0.000 1.168 198 G CA 1.252 46.412 45.100 0.099 0.000 0.771 198 G HN 0.437 nan 8.290 nan 0.000 0.551 199 F N 2.319 122.273 119.950 0.006 0.000 2.146 199 F HA 0.171 4.698 4.527 0.000 0.000 0.298 199 F C 2.815 178.607 175.800 -0.014 0.000 1.096 199 F CA 1.122 59.088 58.000 -0.056 0.000 1.275 199 F CB -0.309 38.587 39.000 -0.173 0.000 1.008 199 F HN 0.225 nan 8.300 nan 0.000 0.480 200 A N -0.667 122.193 122.820 0.066 0.000 1.940 200 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 200 A C 2.191 179.697 177.584 -0.130 0.000 1.176 200 A CA 2.316 54.340 52.037 -0.021 0.000 0.631 200 A CB -1.406 17.606 19.000 0.020 0.000 0.814 200 A HN 0.429 nan 8.150 nan 0.000 0.446 201 T N -0.085 114.400 114.554 -0.115 0.000 2.777 201 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 201 T C 1.833 176.478 174.700 -0.092 0.000 1.040 201 T CA 1.426 63.499 62.100 -0.046 0.000 1.141 201 T CB -0.343 68.575 68.868 0.084 0.000 0.868 201 T HN 0.343 nan 8.240 nan 0.000 0.444 202 L N 1.524 122.635 121.223 -0.187 0.000 2.046 202 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 202 L C 2.494 179.168 176.870 -0.328 0.000 1.077 202 L CA 1.785 56.471 54.840 -0.258 0.000 0.747 202 L CB -0.524 41.323 42.059 -0.354 0.000 0.896 202 L HN 0.081 nan 8.230 nan 0.000 0.432 203 R N -0.578 119.637 120.500 -0.474 0.000 2.073 203 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 203 R C 2.148 178.383 176.300 -0.108 0.000 1.134 203 R CA 1.986 57.895 56.100 -0.318 0.000 0.952 203 R CB -0.225 29.909 30.300 -0.277 0.000 0.850 203 R HN 0.376 nan 8.270 nan 0.000 0.433 204 I N 0.917 121.439 120.570 -0.080 0.000 2.286 204 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 204 I C 2.201 178.308 176.117 -0.016 0.000 1.104 204 I CA 0.882 62.171 61.300 -0.017 0.000 1.397 204 I CB -0.906 37.097 38.000 0.005 0.000 1.072 204 I HN 0.227 nan 8.210 nan 0.000 0.417 205 L N 0.644 121.847 121.223 -0.033 0.000 2.046 205 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 205 L C 2.801 179.651 176.870 -0.033 0.000 1.077 205 L CA 2.316 57.142 54.840 -0.024 0.000 0.747 205 L CB -1.320 40.722 42.059 -0.027 0.000 0.896 205 L HN 0.381 nan 8.230 nan 0.000 0.432 206 T N -3.913 110.608 114.554 -0.055 0.000 2.821 206 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 206 T C 1.689 176.382 174.700 -0.012 0.000 1.046 206 T CA 1.225 63.299 62.100 -0.044 0.000 1.139 206 T CB -0.418 68.408 68.868 -0.071 0.000 0.871 206 T HN 0.363 nan 8.240 nan 0.000 0.454 207 E N 1.438 121.638 120.200 0.001 0.000 2.268 207 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 207 E C 2.248 178.858 176.600 0.017 0.000 0.995 207 E CA 0.746 57.160 56.400 0.023 0.000 0.836 207 E CB -0.203 29.520 29.700 0.039 0.000 0.763 207 E HN 0.709 nan 8.360 nan 0.000 0.491 208 A N -0.267 122.558 122.820 0.009 0.000 2.218 208 A HA 0.289 4.609 4.320 -0.000 0.000 0.209 208 A C 1.629 179.215 177.584 0.003 0.000 1.168 208 A CA 0.943 52.985 52.037 0.010 0.000 0.804 208 A CB 0.253 19.259 19.000 0.012 0.000 0.834 208 A HN 0.350 nan 8.150 nan 0.000 0.482 209 G N -1.971 106.828 108.800 -0.002 0.000 3.110 209 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.205 209 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.205 209 G C 0.110 175.001 174.900 -0.014 0.000 1.019 209 G CA -0.048 45.048 45.100 -0.006 0.000 0.826 209 G HN 0.510 nan 8.290 nan 0.000 0.481 210 V N 2.788 122.689 119.914 -0.022 0.000 2.599 210 V HA 0.220 4.340 4.120 -0.000 0.000 0.300 210 V C 0.702 176.777 176.094 -0.031 0.000 1.034 210 V CA 0.388 62.669 62.300 -0.031 0.000 1.115 210 V CB 1.043 32.841 31.823 -0.042 0.000 0.934 210 V HN 0.304 nan 8.190 nan 0.000 0.485 211 K N 6.713 127.095 120.400 -0.029 0.000 2.312 211 K HA 0.207 4.527 4.320 -0.000 0.000 0.287 211 K C -1.694 174.884 176.600 -0.037 0.000 1.062 211 K CA -1.387 54.884 56.287 -0.026 0.000 0.934 211 K CB 1.058 33.545 32.500 -0.021 0.000 1.027 211 K HN 0.372 nan 8.250 nan 0.000 0.478 212 P HA -0.282 nan 4.420 nan 0.000 0.216 212 P C 1.010 178.280 177.300 -0.051 0.000 1.153 212 P CA 1.304 64.368 63.100 -0.059 0.000 0.858 212 P CB 0.183 31.847 31.700 -0.059 0.000 0.789 213 E N -0.848 119.331 120.200 -0.036 0.000 2.265 213 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 213 E C 0.748 177.328 176.600 -0.033 0.000 0.996 213 E CA 1.150 57.531 56.400 -0.032 0.000 0.832 213 E CB -1.138 28.549 29.700 -0.022 0.000 0.756 213 E HN 0.295 nan 8.360 nan 0.000 0.491 214 N N 0.966 119.645 118.700 -0.034 0.000 2.314 214 N HA 0.089 4.829 4.740 -0.000 0.000 0.200 214 N C -0.557 174.930 175.510 -0.038 0.000 1.135 214 N CA 0.099 53.129 53.050 -0.034 0.000 0.835 214 N CB 1.020 39.487 38.487 -0.032 0.000 0.989 214 N HN -0.001 nan 8.380 nan 0.000 0.478 215 V N 1.319 121.207 119.914 -0.043 0.000 2.417 215 V HA 0.366 4.486 4.120 -0.000 0.000 0.291 215 V C 0.058 176.127 176.094 -0.041 0.000 1.024 215 V CA -0.837 61.437 62.300 -0.043 0.000 0.861 215 V CB 1.766 33.555 31.823 -0.057 0.000 0.985 215 V HN -0.061 nan 8.190 nan 0.000 0.436 216 R N 3.281 123.766 120.500 -0.026 0.000 2.215 216 R HA 0.555 4.895 4.340 -0.000 0.000 0.337 216 R C -0.842 175.440 176.300 -0.031 0.000 1.010 216 R CA -0.273 55.808 56.100 -0.033 0.000 0.871 216 R CB 1.362 31.650 30.300 -0.021 0.000 1.134 216 R HN 0.536 nan 8.270 nan 0.000 0.477 217 V N 4.278 124.148 119.914 -0.072 0.000 2.406 217 V HA 0.299 4.419 4.120 -0.000 0.000 0.272 217 V C -0.022 175.973 176.094 -0.165 0.000 1.043 217 V CA -0.714 61.529 62.300 -0.094 0.000 0.915 217 V CB 1.598 33.342 31.823 -0.131 0.000 0.988 217 V HN 0.396 nan 8.190 nan 0.000 0.466 218 V N 5.098 124.878 119.914 -0.224 0.000 2.398 218 V HA 0.600 4.720 4.120 -0.000 0.000 0.286 218 V C -0.007 175.940 176.094 -0.245 0.000 1.026 218 V CA -0.331 61.748 62.300 -0.368 0.000 0.868 218 V CB 1.523 32.814 31.823 -0.888 0.000 0.982 218 V HN 0.864 nan 8.190 nan 0.000 0.443 219 E N 2.777 122.879 120.200 -0.164 0.000 2.446 219 E HA 0.528 4.878 4.350 -0.000 0.000 0.276 219 E C -1.240 175.390 176.600 0.050 0.000 0.969 219 E CA -0.849 55.526 56.400 -0.043 0.000 0.800 219 E CB 2.560 32.195 29.700 -0.108 0.000 1.341 219 E HN 0.466 nan 8.360 nan 0.000 0.460 220 L N 1.464 122.765 121.223 0.131 0.000 2.313 220 L HA 0.294 4.634 4.340 -0.000 0.000 0.282 220 L C -0.355 176.583 176.870 0.113 0.000 1.092 220 L CA -0.465 54.433 54.840 0.096 0.000 0.831 220 L CB 0.561 42.671 42.059 0.086 0.000 1.159 220 L HN 0.058 nan 8.230 nan 0.000 0.442 221 V N 4.126 124.072 119.914 0.053 0.000 2.409 221 V HA 0.311 4.431 4.120 -0.000 0.000 0.290 221 V C 0.051 176.140 176.094 -0.010 0.000 1.017 221 V CA -0.635 61.676 62.300 0.020 0.000 0.841 221 V CB 1.240 33.081 31.823 0.031 0.000 1.003 221 V HN 0.901 nan 8.190 nan 0.000 0.426 222 N N 3.717 122.400 118.700 -0.028 0.000 2.829 222 N HA -0.190 4.550 4.740 -0.000 0.000 0.250 222 N C 1.108 176.610 175.510 -0.013 0.000 1.090 222 N CA 1.688 54.723 53.050 -0.026 0.000 0.781 222 N CB -1.205 37.267 38.487 -0.024 0.000 1.124 222 N HN 1.581 nan 8.380 nan 0.000 0.559 223 G N -1.028 107.769 108.800 -0.004 0.000 2.157 223 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.248 223 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.248 223 G C -0.151 174.756 174.900 0.012 0.000 0.979 223 G CA 0.770 45.874 45.100 0.007 0.000 0.650 223 G HN 0.510 nan 8.290 nan 0.000 0.529 224 K N 0.991 121.395 120.400 0.006 0.000 2.427 224 K HA 0.504 4.824 4.320 -0.000 0.000 0.252 224 K C -2.732 173.860 176.600 -0.015 0.000 0.931 224 K CA -2.178 54.109 56.287 0.000 0.000 0.793 224 K CB 3.072 35.568 32.500 -0.006 0.000 1.211 224 K HN -0.013 nan 8.250 nan 0.000 0.426 225 P HA 0.012 nan 4.420 nan 0.000 0.267 225 P C -1.001 176.223 177.300 -0.127 0.000 1.209 225 P CA 0.121 63.167 63.100 -0.090 0.000 0.763 225 P CB 0.703 32.335 31.700 -0.114 0.000 0.816 226 R N 3.616 124.037 120.500 -0.133 0.000 2.651 226 R HA 0.472 4.812 4.340 -0.000 0.000 0.278 226 R C -0.292 175.918 176.300 -0.150 0.000 1.010 226 R CA -1.005 55.023 56.100 -0.120 0.000 0.896 226 R CB 1.571 31.840 30.300 -0.052 0.000 1.211 226 R HN 0.385 nan 8.270 nan 0.000 0.456 227 I N 5.059 125.536 120.570 -0.155 0.000 2.588 227 I HA 0.100 4.270 4.170 -0.000 0.000 0.283 227 I C 0.291 176.354 176.117 -0.091 0.000 1.119 227 I CA -0.218 60.995 61.300 -0.147 0.000 1.419 227 I CB 0.735 38.656 38.000 -0.133 0.000 1.394 227 I HN 0.399 nan 8.210 nan 0.000 0.562 228 L N 6.250 127.419 121.223 -0.090 0.000 2.349 228 L HA 0.326 4.666 4.340 -0.000 0.000 0.275 228 L C 0.355 177.198 176.870 -0.045 0.000 1.115 228 L CA -0.262 54.547 54.840 -0.051 0.000 0.820 228 L CB 0.783 42.792 42.059 -0.083 0.000 1.135 228 L HN 0.663 nan 8.230 nan 0.000 0.445 229 T N -2.550 111.991 114.554 -0.022 0.000 2.887 229 T HA 0.201 4.551 4.350 -0.000 0.000 0.288 229 T C 0.853 175.547 174.700 -0.010 0.000 1.021 229 T CA -0.372 61.715 62.100 -0.022 0.000 1.000 229 T CB 1.764 70.619 68.868 -0.022 0.000 1.034 229 T HN 0.601 nan 8.240 nan 0.000 0.467 230 S N 0.490 116.182 115.700 -0.013 0.000 2.500 230 S HA -0.163 4.307 4.470 -0.000 0.000 0.239 230 S C 1.319 175.919 174.600 -0.001 0.000 0.989 230 S CA 1.036 59.233 58.200 -0.006 0.000 0.951 230 S CB -0.686 62.510 63.200 -0.007 0.000 0.759 230 S HN 0.883 nan 8.310 nan 0.000 0.523 231 D N 0.972 121.369 120.400 -0.004 0.000 2.347 231 D HA 0.039 4.679 4.640 -0.000 0.000 0.213 231 D C 0.710 177.009 176.300 -0.002 0.000 0.985 231 D CA -0.003 53.994 54.000 -0.004 0.000 0.879 231 D CB -0.233 40.562 40.800 -0.007 0.000 0.919 231 D HN 0.416 nan 8.370 nan 0.000 0.526 232 L N 0.852 122.077 121.223 0.003 0.000 2.439 232 L HA 0.148 4.488 4.340 -0.000 0.000 0.261 232 L C 0.653 177.527 176.870 0.006 0.000 1.153 232 L CA -0.631 54.212 54.840 0.005 0.000 0.808 232 L CB 0.759 42.833 42.059 0.025 0.000 1.126 232 L HN -0.203 nan 8.230 nan 0.000 0.460 233 D N 1.771 122.164 120.400 -0.011 0.000 2.608 233 D HA 0.117 4.757 4.640 -0.000 0.000 0.224 233 D C 1.177 177.468 176.300 -0.015 0.000 1.123 233 D CA 0.102 54.090 54.000 -0.019 0.000 1.030 233 D CB 0.322 41.097 40.800 -0.042 0.000 1.093 233 D HN 0.406 nan 8.370 nan 0.000 0.497 234 L N 1.200 122.444 121.223 0.034 0.000 2.079 234 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 234 L C 2.229 179.144 176.870 0.074 0.000 1.081 234 L CA 1.048 55.956 54.840 0.113 0.000 0.752 234 L CB -0.235 41.883 42.059 0.099 0.000 0.896 234 L HN 0.256 nan 8.230 nan 0.000 0.433 235 E N 0.792 120.997 120.200 0.009 0.000 2.106 235 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 235 E C 2.102 178.641 176.600 -0.103 0.000 0.984 235 E CA 1.410 57.791 56.400 -0.032 0.000 0.806 235 E CB -0.020 29.671 29.700 -0.016 0.000 0.750 235 E HN 0.283 nan 8.360 nan 0.000 0.458 236 K N -0.240 120.095 120.400 -0.108 0.000 2.062 236 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 236 K C 2.069 178.527 176.600 -0.236 0.000 1.051 236 K CA 1.201 57.397 56.287 -0.151 0.000 0.941 236 K CB -0.106 32.323 32.500 -0.119 0.000 0.719 236 K HN 0.198 nan 8.250 nan 0.000 0.440 237 L N -0.216 120.818 121.223 -0.315 0.000 2.156 237 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 237 L C 0.228 176.494 176.870 -1.007 0.000 1.095 237 L CA 0.539 54.980 54.840 -0.665 0.000 0.770 237 L CB 0.113 41.695 42.059 -0.796 0.000 0.914 237 L HN 0.056 nan 8.230 nan 0.000 0.439 238 F N -0.658 119.217 119.950 -0.124 0.000 2.660 238 F HA 0.381 4.908 4.527 0.000 0.000 0.352 238 F C -2.382 173.283 175.800 -0.225 0.000 1.257 238 F CA -2.735 55.172 58.000 -0.155 0.000 1.200 238 F CB 0.138 39.033 39.000 -0.175 0.000 1.473 238 F HN -0.316 nan 8.300 nan 0.000 0.561 239 P HA -0.066 nan 4.420 nan 0.000 0.261 239 P C -0.507 176.574 177.300 -0.365 0.000 1.173 239 P CA 0.976 63.821 63.100 -0.426 0.000 0.760 239 P CB 0.087 31.434 31.700 -0.589 0.000 0.783 240 Y N 1.000 121.300 120.300 -0.001 0.000 4.936 240 Y HA -0.256 4.294 4.550 -0.000 0.000 0.260 240 Y C 1.217 177.036 175.900 -0.135 0.000 0.928 240 Y CA 0.927 59.034 58.100 0.012 0.000 1.869 240 Y CB -2.316 36.206 38.460 0.104 0.000 1.344 240 Y HN 0.475 nan 8.280 nan 0.000 0.521 241 R N -0.802 119.544 120.500 -0.257 0.000 2.531 241 R HA 0.364 4.704 4.340 -0.000 0.000 0.316 241 R C 2.170 178.234 176.300 -0.393 0.000 0.955 241 R CA 0.475 56.117 56.100 -0.764 0.000 1.120 241 R CB 0.183 29.645 30.300 -1.396 0.000 1.361 241 R HN 0.286 nan 8.270 nan 0.000 0.534 242 G N 1.953 110.699 108.800 -0.089 0.000 2.450 242 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 242 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 242 G C 1.217 176.118 174.900 0.002 0.000 1.130 242 G CA 0.789 45.876 45.100 -0.022 0.000 0.760 242 G HN 0.504 nan 8.290 nan 0.000 0.557 243 W N 0.313 121.633 121.300 0.035 0.000 2.325 243 W HA -0.045 4.615 4.660 -0.000 0.000 0.299 243 W C 1.599 178.171 176.519 0.088 0.000 1.215 243 W CA 0.973 58.356 57.345 0.063 0.000 1.244 243 W CB -0.978 28.529 29.460 0.078 0.000 1.140 243 W HN 0.228 nan 8.180 nan 0.000 0.523 244 L N 0.806 121.505 121.223 -0.874 0.000 2.357 244 L HA 0.215 4.555 4.340 -0.000 0.000 0.211 244 L C 2.502 179.167 176.870 -0.342 0.000 1.075 244 L CA 1.008 55.377 54.840 -0.786 0.000 0.830 244 L CB -0.878 40.356 42.059 -1.375 0.000 0.996 244 L HN -0.140 nan 8.230 nan 0.000 0.467 245 L N 0.371 121.444 121.223 -0.250 0.000 2.131 245 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 245 L C 2.362 179.170 176.870 -0.104 0.000 1.092 245 L CA 1.606 56.353 54.840 -0.155 0.000 0.759 245 L CB -0.637 41.327 42.059 -0.158 0.000 0.903 245 L HN 0.388 nan 8.230 nan 0.000 0.435 246 K N 0.273 120.628 120.400 -0.075 0.000 2.439 246 K HA -0.127 4.193 4.320 -0.000 0.000 0.197 246 K C 1.494 178.076 176.600 -0.030 0.000 1.041 246 K CA 0.957 57.226 56.287 -0.031 0.000 0.970 246 K CB -0.057 32.446 32.500 0.005 0.000 0.773 246 K HN 0.270 nan 8.250 nan 0.000 0.479 247 K N 1.469 121.838 120.400 -0.052 0.000 2.393 247 K HA 0.016 4.336 4.320 -0.000 0.000 0.193 247 K C 0.590 177.159 176.600 -0.052 0.000 1.026 247 K CA 0.526 56.789 56.287 -0.039 0.000 1.064 247 K CB 0.576 33.054 32.500 -0.037 0.000 0.833 247 K HN 0.368 nan 8.250 nan 0.000 0.521 248 T N -0.816 113.697 114.554 -0.070 0.000 2.847 248 T HA 0.105 4.455 4.350 -0.000 0.000 0.279 248 T C 0.348 175.017 174.700 -0.052 0.000 0.984 248 T CA -0.728 61.331 62.100 -0.068 0.000 0.988 248 T CB 0.740 69.556 68.868 -0.087 0.000 1.040 248 T HN 0.159 nan 8.240 nan 0.000 0.528 249 N N -0.228 118.442 118.700 -0.050 0.000 2.642 249 N HA -0.130 4.610 4.740 -0.000 0.000 0.269 249 N C 0.990 176.480 175.510 -0.034 0.000 1.073 249 N CA 0.883 53.908 53.050 -0.043 0.000 0.748 249 N CB -1.201 37.257 38.487 -0.049 0.000 0.894 249 N HN 0.995 nan 8.380 nan 0.000 0.548 250 G N 0.701 109.483 108.800 -0.029 0.000 2.443 250 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 250 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 250 G C 0.878 175.766 174.900 -0.020 0.000 1.131 250 G CA 0.750 45.837 45.100 -0.022 0.000 0.775 250 G HN 0.667 nan 8.290 nan 0.000 0.547 251 E N 0.745 120.931 120.200 -0.023 0.000 2.476 251 E HA 0.051 4.401 4.350 -0.000 0.000 0.191 251 E C 0.239 176.825 176.600 -0.023 0.000 1.064 251 E CA -0.389 55.998 56.400 -0.021 0.000 0.866 251 E CB -0.094 29.593 29.700 -0.022 0.000 0.952 251 E HN 0.342 nan 8.360 nan 0.000 0.492 252 N N 1.349 120.034 118.700 -0.026 0.000 2.708 252 N HA -0.221 4.519 4.740 -0.000 0.000 0.251 252 N C -0.422 175.069 175.510 -0.032 0.000 1.017 252 N CA 0.634 53.668 53.050 -0.027 0.000 0.742 252 N CB -1.169 37.306 38.487 -0.022 0.000 0.943 252 N HN 0.344 nan 8.380 nan 0.000 0.539 253 I N 1.121 121.669 120.570 -0.037 0.000 2.618 253 I HA -0.028 4.142 4.170 -0.000 0.000 0.284 253 I C 1.057 177.143 176.117 -0.051 0.000 1.146 253 I CA 0.736 62.011 61.300 -0.042 0.000 1.425 253 I CB 0.420 38.393 38.000 -0.045 0.000 1.383 253 I HN 0.033 nan 8.210 nan 0.000 0.562 254 E N 3.828 123.998 120.200 -0.051 0.000 2.249 254 E HA 0.777 5.127 4.350 -0.000 0.000 0.263 254 E C 0.232 176.788 176.600 -0.073 0.000 0.950 254 E CA -0.634 55.732 56.400 -0.058 0.000 0.827 254 E CB 2.086 31.759 29.700 -0.045 0.000 1.220 254 E HN 0.818 nan 8.360 nan 0.000 0.411 255 G N -0.175 108.574 108.800 -0.085 0.000 2.255 255 G HA2 0.214 4.174 3.960 -0.000 0.000 0.216 255 G HA3 0.214 4.174 3.960 -0.000 0.000 0.216 255 G C -0.280 174.531 174.900 -0.149 0.000 1.307 255 G CA -0.496 44.541 45.100 -0.106 0.000 1.162 255 G HN 0.796 nan 8.290 nan 0.000 0.494 256 G N -1.011 107.666 108.800 -0.205 0.000 3.257 256 G HA2 0.710 4.670 3.960 -0.000 0.000 0.205 256 G HA3 0.710 4.670 3.960 -0.000 0.000 0.205 256 G C -1.609 173.037 174.900 -0.423 0.000 1.234 256 G CA 0.212 45.136 45.100 -0.293 0.000 0.918 256 G HN 0.540 nan 8.290 nan 0.000 0.602 257 P HA -0.158 nan 4.420 nan 0.000 0.215 257 P C 1.775 178.701 177.300 -0.623 0.000 1.157 257 P CA 1.736 64.426 63.100 -0.683 0.000 0.874 257 P CB 0.135 31.289 31.700 -0.910 0.000 0.790 258 Q N -0.244 118.935 119.800 -1.034 0.000 2.061 258 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 258 Q C 1.774 177.609 176.000 -0.275 0.000 0.984 258 Q CA 1.771 57.129 55.803 -0.742 0.000 0.846 258 Q CB -0.295 28.081 28.738 -0.602 0.000 0.902 258 Q HN 0.152 nan 8.270 nan 0.000 0.421 259 E N 0.032 120.089 120.200 -0.239 0.000 2.204 259 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 259 E C 1.571 178.112 176.600 -0.097 0.000 0.989 259 E CA 1.041 57.362 56.400 -0.132 0.000 0.824 259 E CB -0.192 29.434 29.700 -0.123 0.000 0.756 259 E HN 0.482 nan 8.360 nan 0.000 0.477 260 A N 0.193 122.946 122.820 -0.111 0.000 1.968 260 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 260 A C 1.983 179.588 177.584 0.036 0.000 1.169 260 A CA 0.768 52.785 52.037 -0.033 0.000 0.638 260 A CB -0.322 18.658 19.000 -0.034 0.000 0.812 260 A HN 0.215 nan 8.150 nan 0.000 0.446 261 L N -0.683 120.566 121.223 0.043 0.000 2.418 261 L HA 0.048 4.388 4.340 -0.000 0.000 0.218 261 L C 1.209 178.091 176.870 0.020 0.000 1.125 261 L CA 0.129 54.998 54.840 0.049 0.000 0.835 261 L CB -0.195 41.916 42.059 0.087 0.000 0.953 261 L HN 0.278 nan 8.230 nan 0.000 0.454 262 K N 1.559 121.961 120.400 0.004 0.000 2.453 262 K HA -0.108 4.212 4.320 -0.000 0.000 0.280 262 K C -0.179 176.418 176.600 -0.005 0.000 1.045 262 K CA 0.365 56.653 56.287 0.001 0.000 1.059 262 K CB 0.164 32.659 32.500 -0.009 0.000 0.901 262 K HN 0.128 nan 8.250 nan 0.000 0.475 263 D N 0.709 121.106 120.400 -0.004 0.000 3.076 263 D HA -0.188 4.452 4.640 -0.000 0.000 0.218 263 D C -0.697 175.593 176.300 -0.017 0.000 1.156 263 D CA 1.263 55.257 54.000 -0.011 0.000 0.921 263 D CB -1.175 39.617 40.800 -0.013 0.000 1.113 263 D HN 0.631 nan 8.370 nan 0.000 0.418 264 A N 0.338 123.148 122.820 -0.017 0.000 2.309 264 A HA 0.374 4.694 4.320 -0.000 0.000 0.298 264 A C 1.067 178.625 177.584 -0.043 0.000 1.165 264 A CA -0.310 51.710 52.037 -0.029 0.000 0.821 264 A CB 0.857 19.844 19.000 -0.022 0.000 1.102 264 A HN -0.051 nan 8.150 nan 0.000 0.500 265 D N 0.594 120.960 120.400 -0.057 0.000 2.240 265 D HA 0.107 4.747 4.640 -0.000 0.000 0.206 265 D C 0.082 176.319 176.300 -0.106 0.000 0.963 265 D CA 1.326 55.284 54.000 -0.070 0.000 0.863 265 D CB 0.441 41.201 40.800 -0.066 0.000 0.973 265 D HN 0.270 nan 8.370 nan 0.000 0.501 266 V N 1.377 121.215 119.914 -0.127 0.000 2.789 266 V HA 0.376 4.496 4.120 -0.000 0.000 0.311 266 V C -0.994 174.984 176.094 -0.193 0.000 1.073 266 V CA -0.992 61.189 62.300 -0.199 0.000 0.921 266 V CB 2.913 34.587 31.823 -0.248 0.000 1.009 266 V HN -0.061 nan 8.190 nan 0.000 0.426 267 L N 5.555 126.629 121.223 -0.249 0.000 2.376 267 L HA 0.737 5.077 4.340 -0.000 0.000 0.275 267 L C -1.111 175.590 176.870 -0.282 0.000 0.987 267 L CA 0.025 54.708 54.840 -0.263 0.000 0.828 267 L CB 1.316 43.203 42.059 -0.287 0.000 1.249 267 L HN 0.586 nan 8.230 nan 0.000 0.409 268 I N 3.799 124.224 120.570 -0.243 0.000 2.447 268 I HA 0.474 4.644 4.170 -0.000 0.000 0.287 268 I C -0.473 175.488 176.117 -0.261 0.000 1.023 268 I CA -0.438 60.734 61.300 -0.213 0.000 1.083 268 I CB 2.077 40.014 38.000 -0.105 0.000 1.245 268 I HN 0.654 nan 8.210 nan 0.000 0.434 269 S N 5.760 121.221 115.700 -0.398 0.000 2.561 269 S HA 0.629 5.099 4.470 -0.000 0.000 0.303 269 S C -0.954 173.370 174.600 -0.460 0.000 1.110 269 S CA -0.324 57.711 58.200 -0.274 0.000 1.034 269 S CB 0.610 63.687 63.200 -0.205 0.000 1.010 269 S HN 0.386 nan 8.310 nan 0.000 0.482 270 F N 3.509 123.534 119.950 0.125 0.000 2.597 270 F HA 0.280 4.807 4.527 -0.000 0.000 0.336 270 F C 1.320 177.192 175.800 0.119 0.000 1.432 270 F CA -0.498 57.568 58.000 0.108 0.000 1.120 270 F CB 0.550 39.611 39.000 0.102 0.000 1.253 270 F HN 0.688 nan 8.300 nan 0.000 0.546 271 T N -1.723 112.977 114.554 0.245 0.000 2.090 271 T HA 0.505 4.855 4.350 -0.000 0.000 0.179 271 T C 0.467 175.263 174.700 0.160 0.000 0.687 271 T CA -0.458 61.763 62.100 0.202 0.000 1.523 271 T CB 0.588 69.577 68.868 0.200 0.000 3.135 271 T HN 0.254 nan 8.240 nan 0.000 0.403 272 R N 1.382 121.962 120.500 0.133 0.000 2.807 272 R HA 0.663 5.003 4.340 -0.000 0.000 0.276 272 R C -3.038 173.315 176.300 0.088 0.000 0.979 272 R CA -2.352 53.811 56.100 0.104 0.000 0.928 272 R CB 1.127 31.483 30.300 0.093 0.000 1.191 272 R HN 0.280 nan 8.270 nan 0.000 0.471 273 P HA -0.001 nan 4.420 nan 0.000 0.267 273 P C -0.330 177.001 177.300 0.050 0.000 1.200 273 P CA 0.225 63.360 63.100 0.058 0.000 0.772 273 P CB 0.998 32.729 31.700 0.052 0.000 0.855 274 G N 2.868 111.692 108.800 0.039 0.000 2.773 274 G HA2 0.528 4.488 3.960 -0.000 0.000 0.186 274 G HA3 0.528 4.488 3.960 -0.000 0.000 0.186 274 G C -2.473 172.440 174.900 0.022 0.000 1.411 274 G CA -1.090 44.027 45.100 0.028 0.000 1.054 274 G HN 0.331 nan 8.290 nan 0.000 0.579 275 P HA 0.375 nan 4.420 nan 0.000 0.277 275 P C 0.760 178.052 177.300 -0.014 0.000 1.276 275 P CA 1.021 64.116 63.100 -0.009 0.000 0.788 275 P CB 0.745 32.435 31.700 -0.018 0.000 1.114 276 G N -1.878 106.897 108.800 -0.042 0.000 2.225 276 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 276 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 276 G C 1.019 175.900 174.900 -0.032 0.000 0.988 276 G CA 0.367 45.432 45.100 -0.058 0.000 0.625 276 G HN 0.368 nan 8.290 nan 0.000 0.527 277 V N 0.641 120.570 119.914 0.025 0.000 2.343 277 V HA 0.140 4.260 4.120 -0.000 0.000 0.247 277 V C 1.539 177.746 176.094 0.188 0.000 1.051 277 V CA 1.965 64.332 62.300 0.112 0.000 1.036 277 V CB -0.191 31.706 31.823 0.125 0.000 0.654 277 V HN 0.491 nan 8.190 nan 0.000 0.451 278 I N 0.348 120.967 120.570 0.082 0.000 2.389 278 I HA 0.311 4.481 4.170 -0.000 0.000 0.288 278 I C -0.221 175.737 176.117 -0.265 0.000 0.999 278 I CA -0.438 60.925 61.300 0.105 0.000 1.129 278 I CB 1.679 39.750 38.000 0.118 0.000 1.288 278 I HN 0.059 nan 8.210 nan 0.000 0.444 279 K N 7.548 127.435 120.400 -0.854 0.000 2.205 279 K HA 0.284 4.604 4.320 -0.000 0.000 0.279 279 K C -1.651 174.649 176.600 -0.500 0.000 1.027 279 K CA -1.481 54.286 56.287 -0.868 0.000 0.932 279 K CB 1.117 32.734 32.500 -1.472 0.000 1.032 279 K HN 0.271 nan 8.250 nan 0.000 0.466 280 P HA -0.173 nan 4.420 nan 0.000 0.220 280 P C 0.604 177.837 177.300 -0.112 0.000 1.148 280 P CA 1.258 64.265 63.100 -0.155 0.000 0.803 280 P CB 0.348 31.971 31.700 -0.128 0.000 0.782 281 Q N -1.281 118.409 119.800 -0.185 0.000 2.135 281 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 281 Q C 1.966 178.031 176.000 0.108 0.000 0.981 281 Q CA 1.449 57.212 55.803 -0.067 0.000 0.856 281 Q CB -1.024 27.655 28.738 -0.099 0.000 0.902 281 Q HN 0.388 nan 8.270 nan 0.000 0.425 282 W N -0.184 121.119 121.300 0.006 0.000 2.418 282 W HA 0.014 4.674 4.660 -0.000 0.000 0.292 282 W C 1.623 178.139 176.519 -0.004 0.000 1.213 282 W CA 0.105 57.459 57.345 0.015 0.000 1.283 282 W CB -0.641 28.846 29.460 0.045 0.000 1.119 282 W HN 0.128 nan 8.180 nan 0.000 0.542 283 I N 0.796 121.476 120.570 0.184 0.000 2.454 283 I HA -0.225 3.945 4.170 -0.000 0.000 0.254 283 I C 1.865 178.014 176.117 0.052 0.000 1.156 283 I CA 1.265 62.611 61.300 0.077 0.000 1.433 283 I CB -1.403 36.606 38.000 0.014 0.000 1.082 283 I HN 0.153 nan 8.210 nan 0.000 0.432 284 E N 0.853 121.087 120.200 0.057 0.000 2.153 284 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 284 E C 1.732 178.357 176.600 0.042 0.000 0.988 284 E CA 0.735 57.158 56.400 0.038 0.000 0.811 284 E CB -0.003 29.718 29.700 0.035 0.000 0.746 284 E HN 0.369 nan 8.360 nan 0.000 0.466 285 K N 0.200 120.641 120.400 0.068 0.000 2.504 285 K HA 0.025 4.345 4.320 -0.000 0.000 0.195 285 K C 1.006 177.624 176.600 0.030 0.000 1.036 285 K CA 0.504 56.822 56.287 0.052 0.000 0.984 285 K CB -0.184 32.357 32.500 0.069 0.000 0.788 285 K HN 0.240 nan 8.250 nan 0.000 0.488 286 M N 1.129 120.744 119.600 0.026 0.000 2.198 286 M HA 0.028 4.508 4.480 -0.000 0.000 0.315 286 M C 0.663 176.960 176.300 -0.005 0.000 1.134 286 M CA -0.250 55.053 55.300 0.004 0.000 1.171 286 M CB 0.203 32.798 32.600 -0.008 0.000 1.413 286 M HN -0.120 nan 8.290 nan 0.000 0.467 287 N N 1.113 119.803 118.700 -0.015 0.000 2.288 287 N HA 0.023 4.763 4.740 -0.000 0.000 0.237 287 N C -0.457 175.041 175.510 -0.019 0.000 1.311 287 N CA -0.076 52.963 53.050 -0.017 0.000 0.909 287 N CB 0.292 38.765 38.487 -0.023 0.000 1.167 287 N HN 0.515 nan 8.380 nan 0.000 0.476 288 E N 0.291 120.481 120.200 -0.017 0.000 2.418 288 E HA -0.097 4.253 4.350 -0.000 0.000 0.261 288 E C -0.702 175.885 176.600 -0.022 0.000 1.070 288 E CA -0.037 56.353 56.400 -0.016 0.000 0.931 288 E CB 0.236 29.928 29.700 -0.014 0.000 0.954 288 E HN 0.396 nan 8.360 nan 0.000 0.439 289 D N 0.732 121.120 120.400 -0.020 0.000 2.689 289 D HA -0.209 4.431 4.640 -0.000 0.000 0.237 289 D C -0.575 175.706 176.300 -0.033 0.000 1.148 289 D CA 0.890 54.876 54.000 -0.023 0.000 0.656 289 D CB -1.480 39.308 40.800 -0.021 0.000 1.050 289 D HN 0.537 nan 8.370 nan 0.000 0.426 290 A N 0.188 122.987 122.820 -0.036 0.000 2.520 290 A HA 0.401 4.721 4.320 -0.000 0.000 0.235 290 A C 0.734 178.281 177.584 -0.061 0.000 1.065 290 A CA 0.227 52.233 52.037 -0.052 0.000 0.764 290 A CB 0.497 19.469 19.000 -0.046 0.000 1.002 290 A HN 0.367 nan 8.150 nan 0.000 0.502 291 I N 2.105 122.613 120.570 -0.103 0.000 2.362 291 I HA 0.367 4.537 4.170 -0.000 0.000 0.289 291 I C -0.830 175.184 176.117 -0.172 0.000 0.994 291 I CA -0.524 60.695 61.300 -0.135 0.000 1.158 291 I CB 1.846 39.701 38.000 -0.242 0.000 1.315 291 I HN 0.273 nan 8.210 nan 0.000 0.451 292 V N 6.897 126.782 119.914 -0.047 0.000 2.443 292 V HA 0.376 4.496 4.120 -0.000 0.000 0.293 292 V C -0.787 175.452 176.094 0.241 0.000 1.021 292 V CA -0.466 61.822 62.300 -0.021 0.000 0.848 292 V CB 1.635 33.432 31.823 -0.044 0.000 0.998 292 V HN 0.387 nan 8.190 nan 0.000 0.424 293 F N 6.703 126.545 119.950 -0.180 0.000 2.366 293 F HA 0.419 4.946 4.527 -0.000 0.000 0.357 293 F C -2.232 173.407 175.800 -0.268 0.000 1.107 293 F CA -3.420 54.462 58.000 -0.197 0.000 1.208 293 F CB 1.527 40.411 39.000 -0.193 0.000 1.464 293 F HN 0.306 nan 8.300 nan 0.000 0.501 294 P HA 0.231 nan 4.420 nan 0.000 0.274 294 P C 0.286 177.503 177.300 -0.137 0.000 1.504 294 P CA 0.022 63.041 63.100 -0.135 0.000 1.011 294 P CB 0.790 32.424 31.700 -0.109 0.000 1.366 295 L N 1.691 122.780 121.223 -0.223 0.000 2.653 295 L HA 0.261 4.601 4.340 -0.000 0.000 0.231 295 L C 1.307 178.179 176.870 0.003 0.000 1.153 295 L CA -0.370 54.383 54.840 -0.146 0.000 0.933 295 L CB -0.178 41.728 42.059 -0.255 0.000 1.175 295 L HN 0.252 nan 8.230 nan 0.000 0.473 296 A N 0.647 123.474 122.820 0.011 0.000 2.498 296 A HA 0.239 4.559 4.320 -0.000 0.000 0.239 296 A C -0.057 177.571 177.584 0.073 0.000 1.068 296 A CA 0.117 52.202 52.037 0.079 0.000 0.766 296 A CB 0.010 19.053 19.000 0.071 0.000 1.003 296 A HN 0.482 nan 8.150 nan 0.000 0.497 297 N N 1.915 120.667 118.700 0.086 0.000 2.319 297 N HA 0.460 5.200 4.740 -0.000 0.000 0.305 297 N C -1.988 173.557 175.510 0.059 0.000 1.103 297 N CA -1.571 51.520 53.050 0.068 0.000 0.815 297 N CB 1.929 40.457 38.487 0.070 0.000 1.288 297 N HN 0.532 nan 8.380 nan 0.000 0.493 298 P HA 0.070 nan 4.420 nan 0.000 0.245 298 P C -0.387 176.945 177.300 0.053 0.000 1.203 298 P CA 0.481 63.607 63.100 0.043 0.000 0.792 298 P CB 0.686 32.404 31.700 0.030 0.000 0.997 299 V N 3.654 123.601 119.914 0.055 0.000 2.487 299 V HA 0.317 4.437 4.120 -0.000 0.000 0.298 299 V C -2.313 173.811 176.094 0.050 0.000 1.028 299 V CA -2.408 59.931 62.300 0.064 0.000 0.860 299 V CB 2.139 33.995 31.823 0.054 0.000 0.991 299 V HN -0.034 nan 8.190 nan 0.000 0.427 300 P HA 0.098 nan 4.420 nan 0.000 0.267 300 P C 0.297 177.591 177.300 -0.009 0.000 1.200 300 P CA 0.058 63.156 63.100 -0.003 0.000 0.772 300 P CB 1.235 32.905 31.700 -0.049 0.000 0.855 301 E N 1.231 121.425 120.200 -0.011 0.000 2.219 301 E HA -0.074 4.276 4.350 -0.000 0.000 0.198 301 E C 0.829 177.417 176.600 -0.020 0.000 0.998 301 E CA 1.161 57.566 56.400 0.008 0.000 0.818 301 E CB -0.171 29.548 29.700 0.032 0.000 0.741 301 E HN 0.456 nan 8.360 nan 0.000 0.477 302 I N 0.016 120.552 120.570 -0.056 0.000 2.644 302 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 302 I C -1.230 174.818 176.117 -0.116 0.000 1.180 302 I CA -0.913 60.338 61.300 -0.082 0.000 1.040 302 I CB 1.074 39.020 38.000 -0.090 0.000 1.255 302 I HN -0.158 nan 8.210 nan 0.000 0.422 303 L N 8.787 129.938 121.223 -0.119 0.000 2.490 303 L HA 0.145 4.485 4.340 -0.000 0.000 0.274 303 L C -1.580 175.151 176.870 -0.232 0.000 1.201 303 L CA -1.070 53.662 54.840 -0.179 0.000 0.869 303 L CB 0.099 42.091 42.059 -0.112 0.000 1.123 303 L HN 0.498 nan 8.230 nan 0.000 0.484 304 P HA -0.248 nan 4.420 nan 0.000 0.215 304 P C 1.316 178.501 177.300 -0.191 0.000 1.163 304 P CA 1.315 64.217 63.100 -0.330 0.000 0.894 304 P CB 0.032 31.404 31.700 -0.547 0.000 0.791 305 E N 0.453 120.555 120.200 -0.164 0.000 2.204 305 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 305 E C 1.605 178.158 176.600 -0.077 0.000 0.990 305 E CA 1.399 57.746 56.400 -0.088 0.000 0.821 305 E CB -0.856 28.814 29.700 -0.051 0.000 0.750 305 E HN 0.377 nan 8.360 nan 0.000 0.477 306 E N 0.853 120.998 120.200 -0.092 0.000 2.046 306 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 306 E C 2.147 178.700 176.600 -0.079 0.000 0.982 306 E CA 1.030 57.381 56.400 -0.082 0.000 0.800 306 E CB -0.101 29.545 29.700 -0.091 0.000 0.756 306 E HN 0.416 nan 8.360 nan 0.000 0.449 307 A N 1.681 124.447 122.820 -0.089 0.000 1.930 307 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 307 A C 1.975 179.525 177.584 -0.058 0.000 1.175 307 A CA 1.120 53.112 52.037 -0.074 0.000 0.627 307 A CB -0.167 18.784 19.000 -0.082 0.000 0.815 307 A HN -0.023 nan 8.150 nan 0.000 0.443 308 K N 0.302 120.666 120.400 -0.061 0.000 2.002 308 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 308 K C 1.799 178.377 176.600 -0.036 0.000 1.048 308 K CA 1.601 57.861 56.287 -0.045 0.000 0.930 308 K CB -0.370 32.102 32.500 -0.046 0.000 0.714 308 K HN 0.511 nan 8.250 nan 0.000 0.438 309 K N 0.434 120.811 120.400 -0.039 0.000 2.283 309 K HA -0.036 4.284 4.320 -0.000 0.000 0.202 309 K C 1.859 178.441 176.600 -0.031 0.000 1.048 309 K CA 0.896 57.164 56.287 -0.032 0.000 0.948 309 K CB -0.001 32.479 32.500 -0.034 0.000 0.742 309 K HN 0.097 nan 8.250 nan 0.000 0.458 310 A N 0.282 123.081 122.820 -0.035 0.000 2.169 310 A HA 0.167 4.487 4.320 -0.000 0.000 0.212 310 A C 1.504 179.076 177.584 -0.020 0.000 1.153 310 A CA 1.074 53.094 52.037 -0.029 0.000 0.756 310 A CB -0.009 18.970 19.000 -0.035 0.000 0.813 310 A HN 0.410 nan 8.150 nan 0.000 0.471 311 G N -2.380 106.406 108.800 -0.022 0.000 2.260 311 G HA2 0.201 4.161 3.960 -0.000 0.000 0.179 311 G HA3 0.201 4.161 3.960 -0.000 0.000 0.179 311 G C 0.407 175.295 174.900 -0.020 0.000 1.002 311 G CA -0.043 45.047 45.100 -0.017 0.000 0.677 311 G HN 1.411 nan 8.290 nan 0.000 0.486 312 A N 0.602 123.407 122.820 -0.025 0.000 2.520 312 A HA 0.636 4.956 4.320 -0.000 0.000 0.245 312 A C 1.284 178.856 177.584 -0.021 0.000 1.072 312 A CA 1.251 53.272 52.037 -0.027 0.000 0.761 312 A CB 0.312 19.292 19.000 -0.033 0.000 1.004 312 A HN 0.603 nan 8.150 nan 0.000 0.499 313 R N 1.972 122.462 120.500 -0.017 0.000 2.100 313 R HA 0.205 4.545 4.340 -0.000 0.000 0.220 313 R C -0.127 176.173 176.300 0.001 0.000 1.091 313 R CA 0.866 56.960 56.100 -0.010 0.000 0.986 313 R CB 0.011 30.304 30.300 -0.011 0.000 0.888 313 R HN 0.750 nan 8.270 nan 0.000 0.444 314 I N 1.184 121.761 120.570 0.011 0.000 2.533 314 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 314 I C -1.234 174.928 176.117 0.076 0.000 1.056 314 I CA -1.103 60.224 61.300 0.046 0.000 1.057 314 I CB 2.549 40.596 38.000 0.078 0.000 1.240 314 I HN -0.216 nan 8.210 nan 0.000 0.423 315 V N 4.540 124.490 119.914 0.059 0.000 2.638 315 V HA 0.833 4.953 4.120 -0.000 0.000 0.306 315 V C -0.374 175.712 176.094 -0.013 0.000 1.052 315 V CA -0.460 61.866 62.300 0.044 0.000 0.885 315 V CB 1.855 33.648 31.823 -0.049 0.000 0.999 315 V HN 0.839 nan 8.190 nan 0.000 0.424 316 A N 3.049 125.819 122.820 -0.083 0.000 2.414 316 A HA 0.996 5.316 4.320 -0.000 0.000 0.306 316 A C -0.228 177.174 177.584 -0.304 0.000 1.054 316 A CA -0.085 51.748 52.037 -0.339 0.000 0.724 316 A CB 2.160 20.606 19.000 -0.923 0.000 1.267 316 A HN 1.039 nan 8.150 nan 0.000 0.418 317 T N -1.969 112.463 114.554 -0.203 0.000 2.716 317 T HA 0.645 4.995 4.350 -0.000 0.000 0.286 317 T C 0.787 175.443 174.700 -0.073 0.000 1.052 317 T CA 0.157 62.188 62.100 -0.115 0.000 1.024 317 T CB 1.242 70.099 68.868 -0.018 0.000 1.349 317 T HN 1.294 nan 8.240 nan 0.000 0.525 318 G N -0.419 108.374 108.800 -0.012 0.000 3.042 318 G HA2 0.229 4.189 3.960 -0.000 0.000 0.212 318 G HA3 0.229 4.189 3.960 -0.000 0.000 0.212 318 G C 0.513 175.428 174.900 0.024 0.000 1.166 318 G CA -0.416 44.689 45.100 0.009 0.000 0.767 318 G HN 0.639 nan 8.290 nan 0.000 0.546 319 R N 0.401 120.939 120.500 0.063 0.000 2.459 319 R HA 0.319 4.659 4.340 -0.000 0.000 0.281 319 R C 1.384 177.679 176.300 -0.008 0.000 1.050 319 R CA 0.312 56.437 56.100 0.042 0.000 1.055 319 R CB 1.283 31.649 30.300 0.110 0.000 1.045 319 R HN 0.200 nan 8.270 nan 0.000 0.495 320 S N -0.237 115.423 115.700 -0.068 0.000 2.528 320 S HA -0.077 4.393 4.470 -0.000 0.000 0.219 320 S C 0.813 175.333 174.600 -0.134 0.000 0.985 320 S CA 0.516 58.668 58.200 -0.080 0.000 0.914 320 S CB 0.057 63.214 63.200 -0.071 0.000 0.776 320 S HN 0.727 nan 8.310 nan 0.000 0.526 321 D N -0.349 119.890 120.400 -0.270 0.000 2.328 321 D HA 0.110 4.750 4.640 -0.000 0.000 0.221 321 D C -0.450 175.529 176.300 -0.534 0.000 1.072 321 D CA -0.225 53.539 54.000 -0.394 0.000 0.850 321 D CB -0.436 40.091 40.800 -0.454 0.000 0.922 321 D HN 0.408 nan 8.370 nan 0.000 0.516 322 Y N 0.094 120.372 120.300 -0.038 0.000 2.524 322 Y HA 0.509 5.059 4.550 -0.000 0.000 0.344 322 Y C -2.004 173.867 175.900 -0.048 0.000 1.012 322 Y CA -3.027 55.048 58.100 -0.042 0.000 1.068 322 Y CB 0.761 39.193 38.460 -0.048 0.000 1.249 322 Y HN -0.263 nan 8.280 nan 0.000 0.468 323 P HA 0.070 nan 4.420 nan 0.000 0.271 323 P C -0.736 176.571 177.300 0.013 0.000 1.233 323 P CA -0.031 63.098 63.100 0.048 0.000 0.789 323 P CB 0.368 32.087 31.700 0.032 0.000 0.951 324 N N -0.841 117.843 118.700 -0.026 0.000 2.671 324 N HA -0.205 4.535 4.740 -0.000 0.000 0.261 324 N C -0.308 175.135 175.510 -0.111 0.000 1.053 324 N CA 0.704 53.709 53.050 -0.075 0.000 0.732 324 N CB -1.290 37.141 38.487 -0.094 0.000 0.887 324 N HN 0.624 nan 8.380 nan 0.000 0.546 325 Q N 1.055 120.808 119.800 -0.079 0.000 2.307 325 Q HA 0.214 4.554 4.340 -0.000 0.000 0.259 325 Q C 0.042 175.977 176.000 -0.109 0.000 0.998 325 Q CA -0.430 55.325 55.803 -0.079 0.000 0.923 325 Q CB 0.529 29.237 28.738 -0.049 0.000 1.196 325 Q HN 0.211 nan 8.270 nan 0.000 0.416 326 I N 4.765 125.253 120.570 -0.137 0.000 2.293 326 I HA 0.090 4.260 4.170 -0.000 0.000 0.299 326 I C 0.005 176.095 176.117 -0.045 0.000 1.153 326 I CA -0.003 61.226 61.300 -0.118 0.000 1.302 326 I CB -0.562 37.340 38.000 -0.163 0.000 1.460 326 I HN 0.539 nan 8.210 nan 0.000 0.552 327 N N 4.898 123.571 118.700 -0.045 0.000 2.437 327 N HA 0.144 4.884 4.740 -0.000 0.000 0.259 327 N C 0.848 176.356 175.510 -0.004 0.000 0.983 327 N CA -0.188 52.845 53.050 -0.029 0.000 0.937 327 N CB 0.868 39.315 38.487 -0.068 0.000 1.122 327 N HN 0.262 nan 8.380 nan 0.000 0.499 328 N N 1.989 120.724 118.700 0.059 0.000 2.348 328 N HA -0.143 4.597 4.740 -0.000 0.000 0.185 328 N C 1.392 176.973 175.510 0.119 0.000 1.019 328 N CA 0.419 53.553 53.050 0.139 0.000 0.880 328 N CB -0.018 38.593 38.487 0.206 0.000 0.965 328 N HN 0.512 nan 8.380 nan 0.000 0.437 329 L N 0.395 121.612 121.223 -0.009 0.000 2.261 329 L HA -0.022 4.318 4.340 -0.000 0.000 0.216 329 L C 1.431 178.090 176.870 -0.353 0.000 1.114 329 L CA 1.251 55.910 54.840 -0.301 0.000 0.777 329 L CB -0.332 41.536 42.059 -0.319 0.000 0.910 329 L HN 0.224 nan 8.230 nan 0.000 0.440 330 L N -1.341 119.770 121.223 -0.187 0.000 2.275 330 L HA -0.032 4.308 4.340 -0.000 0.000 0.215 330 L C 2.160 178.944 176.870 -0.143 0.000 1.119 330 L CA 0.802 55.526 54.840 -0.193 0.000 0.790 330 L CB -0.963 40.988 42.059 -0.181 0.000 0.919 330 L HN 0.441 nan 8.230 nan 0.000 0.443 331 G N 0.405 109.148 108.800 -0.095 0.000 2.695 331 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 331 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 331 G C 1.253 176.147 174.900 -0.009 0.000 1.295 331 G CA 0.513 45.618 45.100 0.008 0.000 0.882 331 G HN 0.323 nan 8.290 nan 0.000 0.570 332 F N 2.110 122.091 119.950 0.051 0.000 2.111 332 F HA -0.067 4.460 4.527 0.000 0.000 0.300 332 F C -0.155 175.642 175.800 -0.004 0.000 1.088 332 F CA 1.459 59.457 58.000 -0.003 0.000 1.243 332 F CB -1.926 37.040 39.000 -0.056 0.000 0.996 332 F HN 0.160 nan 8.300 nan 0.000 0.483 333 P HA -0.020 nan 4.420 nan 0.000 0.216 333 P C 2.014 179.378 177.300 0.107 0.000 1.153 333 P CA 2.245 65.229 63.100 -0.194 0.000 0.848 333 P CB -0.421 30.966 31.700 -0.522 0.000 0.787 334 G N -0.626 108.277 108.800 0.171 0.000 2.408 334 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.215 334 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.215 334 G C 1.530 176.494 174.900 0.106 0.000 1.156 334 G CA 0.270 45.488 45.100 0.197 0.000 0.793 334 G HN 0.207 nan 8.290 nan 0.000 0.535 335 I N -0.356 120.241 120.570 0.044 0.000 2.179 335 I HA -0.111 4.059 4.170 -0.000 0.000 0.242 335 I C 2.400 178.447 176.117 -0.116 0.000 1.088 335 I CA 0.992 62.235 61.300 -0.095 0.000 1.357 335 I CB -0.230 37.595 38.000 -0.291 0.000 1.051 335 I HN 0.072 nan 8.210 nan 0.000 0.409 336 F N 0.758 120.726 119.950 0.030 0.000 2.206 336 F HA -0.169 4.358 4.527 0.000 0.000 0.298 336 F C 2.677 178.553 175.800 0.126 0.000 1.090 336 F CA 1.256 59.322 58.000 0.110 0.000 1.323 336 F CB -0.350 38.824 39.000 0.290 0.000 1.028 336 F HN -0.080 nan 8.300 nan 0.000 0.492 337 R N 0.737 121.414 120.500 0.294 0.000 2.080 337 R HA -0.117 4.223 4.340 -0.000 0.000 0.236 337 R C 2.378 178.788 176.300 0.183 0.000 1.137 337 R CA 1.932 58.163 56.100 0.219 0.000 0.943 337 R CB -1.374 29.019 30.300 0.155 0.000 0.846 337 R HN 0.267 nan 8.270 nan 0.000 0.431 338 G N -0.595 108.281 108.800 0.127 0.000 2.402 338 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 338 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 338 G C 1.580 176.525 174.900 0.075 0.000 1.162 338 G CA 0.796 45.956 45.100 0.101 0.000 0.777 338 G HN 0.516 nan 8.290 nan 0.000 0.539 339 A N 0.517 123.350 122.820 0.022 0.000 1.902 339 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 339 A C 2.432 180.047 177.584 0.051 0.000 1.181 339 A CA 1.231 53.261 52.037 -0.012 0.000 0.623 339 A CB -0.381 18.534 19.000 -0.140 0.000 0.818 339 A HN 0.351 nan 8.150 nan 0.000 0.443 340 L N -0.626 120.673 121.223 0.127 0.000 2.093 340 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 340 L C 1.889 178.838 176.870 0.131 0.000 1.085 340 L CA 1.196 56.133 54.840 0.162 0.000 0.755 340 L CB -0.600 41.606 42.059 0.245 0.000 0.904 340 L HN 0.256 nan 8.230 nan 0.000 0.435 341 D N -0.202 120.303 120.400 0.175 0.000 2.218 341 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 341 D C 1.792 178.141 176.300 0.081 0.000 0.976 341 D CA 1.430 55.555 54.000 0.207 0.000 0.853 341 D CB 0.129 41.139 40.800 0.349 0.000 0.939 341 D HN 0.344 nan 8.370 nan 0.000 0.481 342 V N -2.818 117.118 119.914 0.038 0.000 3.319 342 V HA 0.339 4.459 4.120 -0.000 0.000 0.317 342 V C 0.757 176.805 176.094 -0.076 0.000 1.411 342 V CA -0.424 61.861 62.300 -0.026 0.000 1.112 342 V CB -0.382 31.438 31.823 -0.004 0.000 1.031 342 V HN 0.064 nan 8.190 nan 0.000 0.448 343 R N 0.674 121.117 120.500 -0.095 0.000 3.322 343 R HA -0.185 4.155 4.340 -0.000 0.000 0.253 343 R C 0.467 176.715 176.300 -0.087 0.000 0.987 343 R CA 0.502 56.502 56.100 -0.165 0.000 0.666 343 R CB -1.374 28.709 30.300 -0.361 0.000 1.072 343 R HN 1.075 nan 8.270 nan 0.000 0.447 344 A N 1.026 123.825 122.820 -0.034 0.000 2.520 344 A HA 0.104 4.424 4.320 -0.000 0.000 0.245 344 A C 1.145 178.730 177.584 0.002 0.000 1.072 344 A CA 0.097 52.124 52.037 -0.018 0.000 0.761 344 A CB 0.329 19.319 19.000 -0.016 0.000 1.004 344 A HN 0.638 nan 8.150 nan 0.000 0.499 345 R N 0.768 121.272 120.500 0.006 0.000 2.115 345 R HA -0.002 4.338 4.340 -0.000 0.000 0.230 345 R C -0.127 176.195 176.300 0.038 0.000 1.111 345 R CA 1.469 57.586 56.100 0.027 0.000 0.976 345 R CB -0.054 30.258 30.300 0.021 0.000 0.870 345 R HN 0.712 nan 8.270 nan 0.000 0.445 346 T N -0.069 114.500 114.554 0.026 0.000 2.916 346 T HA 0.415 4.765 4.350 -0.000 0.000 0.305 346 T C -0.532 174.180 174.700 0.020 0.000 1.119 346 T CA -0.638 61.482 62.100 0.034 0.000 1.008 346 T CB 2.376 71.264 68.868 0.034 0.000 1.129 346 T HN -0.048 nan 8.240 nan 0.000 0.480 347 I N 3.760 124.350 120.570 0.034 0.000 2.276 347 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 347 I C 1.298 177.467 176.117 0.086 0.000 1.109 347 I CA -0.477 60.839 61.300 0.026 0.000 1.229 347 I CB 0.538 38.543 38.000 0.009 0.000 1.452 347 I HN 0.742 nan 8.210 nan 0.000 0.497 348 T N -0.040 114.549 114.554 0.058 0.000 2.766 348 T HA 0.107 4.457 4.350 -0.000 0.000 0.295 348 T C 0.873 175.619 174.700 0.078 0.000 1.024 348 T CA -0.540 61.597 62.100 0.061 0.000 1.018 348 T CB 1.256 70.147 68.868 0.040 0.000 1.002 348 T HN 0.371 nan 8.240 nan 0.000 0.532 349 D N 0.466 120.908 120.400 0.069 0.000 2.144 349 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 349 D C 2.433 178.771 176.300 0.062 0.000 0.984 349 D CA 1.802 55.846 54.000 0.072 0.000 0.834 349 D CB -0.459 40.378 40.800 0.063 0.000 0.955 349 D HN 0.730 nan 8.370 nan 0.000 0.465 350 S N -0.473 115.256 115.700 0.049 0.000 2.402 350 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 350 S C 2.006 176.630 174.600 0.041 0.000 1.021 350 S CA 0.667 58.891 58.200 0.040 0.000 0.974 350 S CB -0.307 62.912 63.200 0.030 0.000 0.800 350 S HN 0.174 nan 8.310 nan 0.000 0.484 351 M N 0.755 120.382 119.600 0.044 0.000 2.254 351 M HA 0.173 4.653 4.480 -0.000 0.000 0.265 351 M C 2.028 178.360 176.300 0.054 0.000 1.066 351 M CA 1.215 56.538 55.300 0.037 0.000 1.123 351 M CB -0.467 32.147 32.600 0.024 0.000 1.388 351 M HN 0.300 nan 8.290 nan 0.000 0.425 352 I N -0.003 120.621 120.570 0.089 0.000 2.252 352 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 352 I C 2.144 178.311 176.117 0.084 0.000 1.102 352 I CA 1.273 62.647 61.300 0.123 0.000 1.385 352 I CB -0.270 37.828 38.000 0.164 0.000 1.064 352 I HN 0.244 nan 8.210 nan 0.000 0.414 353 I N 0.640 121.248 120.570 0.064 0.000 2.315 353 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 353 I C 2.767 178.907 176.117 0.038 0.000 1.117 353 I CA 1.155 62.483 61.300 0.048 0.000 1.404 353 I CB -0.421 37.603 38.000 0.039 0.000 1.071 353 I HN 0.167 nan 8.210 nan 0.000 0.419 354 A N 0.807 123.648 122.820 0.034 0.000 1.933 354 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 354 A C 2.546 180.142 177.584 0.021 0.000 1.175 354 A CA 1.777 53.829 52.037 0.025 0.000 0.628 354 A CB -0.722 18.291 19.000 0.022 0.000 0.814 354 A HN 0.423 nan 8.150 nan 0.000 0.444 355 A N -0.070 122.767 122.820 0.028 0.000 1.902 355 A HA 0.163 4.483 4.320 -0.000 0.000 0.217 355 A C 2.515 180.109 177.584 0.016 0.000 1.181 355 A CA 2.068 54.117 52.037 0.020 0.000 0.623 355 A CB -1.041 17.979 19.000 0.033 0.000 0.818 355 A HN 1.051 nan 8.150 nan 0.000 0.443 356 A N -0.083 122.757 122.820 0.033 0.000 1.908 356 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 356 A C 2.114 179.708 177.584 0.016 0.000 1.181 356 A CA 1.901 53.956 52.037 0.031 0.000 0.627 356 A CB -0.460 18.568 19.000 0.047 0.000 0.818 356 A HN 0.555 nan 8.150 nan 0.000 0.445 357 K N -0.376 120.034 120.400 0.015 0.000 2.097 357 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 357 K C 2.308 178.906 176.600 -0.003 0.000 1.049 357 K CA 1.056 57.349 56.287 0.009 0.000 0.933 357 K CB -0.312 32.195 32.500 0.011 0.000 0.717 357 K HN 0.449 nan 8.250 nan 0.000 0.442 358 A N 1.550 124.365 122.820 -0.007 0.000 1.877 358 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 358 A C 2.127 179.686 177.584 -0.042 0.000 1.186 358 A CA 1.238 53.262 52.037 -0.020 0.000 0.620 358 A CB -0.576 18.413 19.000 -0.019 0.000 0.822 358 A HN 0.158 nan 8.150 nan 0.000 0.443 359 I N -0.164 120.377 120.570 -0.050 0.000 2.163 359 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 359 I C 2.985 179.068 176.117 -0.057 0.000 1.085 359 I CA 1.158 62.411 61.300 -0.078 0.000 1.347 359 I CB -0.391 37.564 38.000 -0.074 0.000 1.044 359 I HN 0.363 nan 8.210 nan 0.000 0.408 360 A N 0.789 123.592 122.820 -0.028 0.000 1.933 360 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 360 A C 2.462 180.034 177.584 -0.019 0.000 1.175 360 A CA 2.167 54.195 52.037 -0.015 0.000 0.628 360 A CB -0.903 18.099 19.000 0.004 0.000 0.814 360 A HN 0.546 nan 8.150 nan 0.000 0.444 361 S N -0.138 115.550 115.700 -0.020 0.000 2.469 361 S HA -0.099 4.371 4.470 -0.000 0.000 0.238 361 S C 1.657 176.242 174.600 -0.026 0.000 0.998 361 S CA 1.165 59.354 58.200 -0.018 0.000 0.957 361 S CB -0.564 62.627 63.200 -0.015 0.000 0.764 361 S HN 0.364 nan 8.310 nan 0.000 0.514 362 I N 1.811 122.357 120.570 -0.040 0.000 2.394 362 I HA 0.018 4.188 4.170 -0.000 0.000 0.251 362 I C 0.744 176.840 176.117 -0.035 0.000 1.136 362 I CA 0.564 61.837 61.300 -0.046 0.000 1.425 362 I CB -1.224 36.731 38.000 -0.074 0.000 1.079 362 I HN 0.209 nan 8.210 nan 0.000 0.425 363 V N 2.605 122.501 119.914 -0.030 0.000 2.338 363 V HA 0.087 4.207 4.120 -0.000 0.000 0.255 363 V C 1.436 177.522 176.094 -0.014 0.000 1.082 363 V CA -0.251 62.035 62.300 -0.022 0.000 0.951 363 V CB 0.197 32.009 31.823 -0.019 0.000 1.102 363 V HN 0.299 nan 8.190 nan 0.000 0.489 364 E N 2.582 122.775 120.200 -0.013 0.000 2.038 364 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 364 E C 0.302 176.899 176.600 -0.006 0.000 1.000 364 E CA 1.018 57.413 56.400 -0.008 0.000 0.803 364 E CB 0.222 29.917 29.700 -0.008 0.000 0.750 364 E HN 0.627 nan 8.360 nan 0.000 0.448 365 E N 1.157 121.353 120.200 -0.005 0.000 2.683 365 E HA 0.202 4.552 4.350 -0.000 0.000 0.224 365 E C -2.312 174.286 176.600 -0.002 0.000 1.046 365 E CA -1.732 54.666 56.400 -0.003 0.000 0.811 365 E CB 0.934 30.632 29.700 -0.003 0.000 1.296 365 E HN 0.210 nan 8.360 nan 0.000 0.421 366 P HA 0.086 nan 4.420 nan 0.000 0.272 366 P C -0.143 177.159 177.300 0.004 0.000 1.223 366 P CA -0.019 63.082 63.100 0.002 0.000 0.784 366 P CB 1.116 32.820 31.700 0.006 0.000 0.923 367 S N -0.523 115.180 115.700 0.005 0.000 2.697 367 S HA 0.251 4.721 4.470 -0.000 0.000 0.289 367 S C 1.120 175.727 174.600 0.010 0.000 1.149 367 S CA -0.728 57.475 58.200 0.006 0.000 0.850 367 S CB 1.335 64.536 63.200 0.002 0.000 1.151 367 S HN 0.529 nan 8.310 nan 0.000 0.491 368 E N 0.390 120.596 120.200 0.010 0.000 2.219 368 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 368 E C 0.361 176.969 176.600 0.013 0.000 0.998 368 E CA 1.233 57.641 56.400 0.014 0.000 0.818 368 E CB -0.312 29.392 29.700 0.008 0.000 0.741 368 E HN 0.628 nan 8.360 nan 0.000 0.477 369 E N 0.635 120.839 120.200 0.007 0.000 2.501 369 E HA 0.119 4.469 4.350 -0.000 0.000 0.201 369 E C -0.370 176.230 176.600 0.000 0.000 1.016 369 E CA -0.023 56.380 56.400 0.004 0.000 0.920 369 E CB 0.307 30.009 29.700 0.004 0.000 1.023 369 E HN 0.132 nan 8.360 nan 0.000 0.474 370 N N 1.067 119.767 118.700 0.000 0.000 2.732 370 N HA 0.117 4.857 4.740 -0.000 0.000 0.247 370 N C -0.074 175.435 175.510 -0.003 0.000 1.305 370 N CA -0.093 52.953 53.050 -0.006 0.000 0.762 370 N CB 0.269 38.752 38.487 -0.006 0.000 1.361 370 N HN 0.046 nan 8.380 nan 0.000 0.545 371 I N -1.031 119.537 120.570 -0.005 0.000 4.240 371 I HA 0.578 4.748 4.170 -0.000 0.000 0.331 371 I C -0.551 175.561 176.117 -0.009 0.000 1.381 371 I CA -0.234 61.071 61.300 0.008 0.000 1.136 371 I CB 0.454 38.479 38.000 0.043 0.000 1.137 371 I HN 0.205 nan 8.210 nan 0.000 0.411 372 I N 2.950 123.501 120.570 -0.033 0.000 2.619 372 I HA 0.629 4.799 4.170 -0.000 0.000 0.292 372 I C -2.535 173.546 176.117 -0.060 0.000 1.100 372 I CA -2.379 58.890 61.300 -0.051 0.000 1.043 372 I CB 2.399 40.354 38.000 -0.075 0.000 1.239 372 I HN -0.075 nan 8.210 nan 0.000 0.420 373 P HA 0.227 nan 4.420 nan 0.000 0.277 373 P C -0.984 176.257 177.300 -0.098 0.000 1.271 373 P CA -0.445 62.604 63.100 -0.085 0.000 0.795 373 P CB 0.906 32.541 31.700 -0.107 0.000 1.101 374 S N 0.177 115.823 115.700 -0.090 0.000 2.508 374 S HA 0.338 4.808 4.470 -0.000 0.000 0.284 374 S C -1.524 173.013 174.600 -0.105 0.000 1.192 374 S CA -1.910 56.241 58.200 -0.083 0.000 1.070 374 S CB 0.535 63.708 63.200 -0.045 0.000 1.004 374 S HN 0.275 nan 8.310 nan 0.000 0.493 375 P HA 0.007 nan 4.420 nan 0.000 0.230 375 P C 0.896 178.226 177.300 0.050 0.000 1.158 375 P CA 0.660 63.685 63.100 -0.124 0.000 0.769 375 P CB 0.017 31.547 31.700 -0.282 0.000 0.807 376 L N -1.129 120.131 121.223 0.062 0.000 2.591 376 L HA 0.135 4.475 4.340 -0.000 0.000 0.228 376 L C 1.015 177.973 176.870 0.147 0.000 1.133 376 L CA 0.022 54.965 54.840 0.171 0.000 0.880 376 L CB -0.708 41.413 42.059 0.103 0.000 1.033 376 L HN -0.056 nan 8.230 nan 0.000 0.450 377 N N 0.953 119.708 118.700 0.092 0.000 2.462 377 N HA 0.173 4.913 4.740 -0.000 0.000 0.242 377 N C -1.832 173.732 175.510 0.090 0.000 1.010 377 N CA -2.167 50.914 53.050 0.051 0.000 0.939 377 N CB 1.544 40.018 38.487 -0.021 0.000 1.127 377 N HN -0.199 nan 8.380 nan 0.000 0.509 378 P HA -0.084 nan 4.420 nan 0.000 0.219 378 P C 1.352 178.721 177.300 0.115 0.000 1.146 378 P CA 1.027 64.245 63.100 0.197 0.000 0.808 378 P CB 0.342 32.111 31.700 0.115 0.000 0.779 379 I N -1.416 119.171 120.570 0.028 0.000 2.454 379 I HA -0.187 3.983 4.170 -0.000 0.000 0.254 379 I C 2.162 178.234 176.117 -0.074 0.000 1.156 379 I CA 0.967 62.260 61.300 -0.012 0.000 1.433 379 I CB -0.620 37.367 38.000 -0.020 0.000 1.082 379 I HN -0.151 nan 8.210 nan 0.000 0.432 380 V N 0.551 120.358 119.914 -0.180 0.000 2.255 380 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 380 V C 2.249 178.113 176.094 -0.384 0.000 1.051 380 V CA 2.145 64.229 62.300 -0.360 0.000 1.018 380 V CB -0.845 30.596 31.823 -0.636 0.000 0.641 380 V HN 0.302 nan 8.190 nan 0.000 0.445 381 Y N 0.564 120.845 120.300 -0.031 0.000 2.242 381 Y HA -0.037 4.513 4.550 0.000 0.000 0.291 381 Y C 2.492 178.379 175.900 -0.021 0.000 1.137 381 Y CA 1.042 59.123 58.100 -0.031 0.000 1.181 381 Y CB -1.106 37.344 38.460 -0.018 0.000 0.989 381 Y HN 0.179 nan 8.280 nan 0.000 0.527 382 A N 0.420 123.297 122.820 0.094 0.000 1.873 382 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 382 A C 2.319 179.917 177.584 0.023 0.000 1.186 382 A CA 1.386 53.451 52.037 0.047 0.000 0.616 382 A CB -0.342 18.673 19.000 0.025 0.000 0.823 382 A HN 0.201 nan 8.150 nan 0.000 0.442 383 R N -0.355 120.142 120.500 -0.004 0.000 2.075 383 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 383 R C 2.120 178.416 176.300 -0.007 0.000 1.126 383 R CA 1.490 57.585 56.100 -0.010 0.000 0.963 383 R CB -0.748 29.534 30.300 -0.029 0.000 0.858 383 R HN 0.854 nan 8.270 nan 0.000 0.435 384 E N 0.611 120.797 120.200 -0.024 0.000 2.072 384 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 384 E C 1.843 178.456 176.600 0.021 0.000 0.985 384 E CA 1.095 57.486 56.400 -0.015 0.000 0.801 384 E CB 0.005 29.677 29.700 -0.046 0.000 0.750 384 E HN 0.255 nan 8.360 nan 0.000 0.452 385 A N 1.638 124.487 122.820 0.048 0.000 1.902 385 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 385 A C 2.235 179.857 177.584 0.064 0.000 1.181 385 A CA 1.656 53.734 52.037 0.068 0.000 0.623 385 A CB -0.617 18.438 19.000 0.092 0.000 0.818 385 A HN 0.274 nan 8.150 nan 0.000 0.443 386 R N -0.390 120.144 120.500 0.056 0.000 2.081 386 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 386 R C 2.283 178.610 176.300 0.045 0.000 1.131 386 R CA 1.483 57.619 56.100 0.059 0.000 0.960 386 R CB -0.426 29.904 30.300 0.049 0.000 0.856 386 R HN 0.421 nan 8.270 nan 0.000 0.436 387 A N 0.263 123.101 122.820 0.030 0.000 1.902 387 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 387 A C 2.253 179.851 177.584 0.023 0.000 1.181 387 A CA 1.603 53.654 52.037 0.023 0.000 0.623 387 A CB -0.510 18.498 19.000 0.013 0.000 0.818 387 A HN 0.239 nan 8.150 nan 0.000 0.443 388 V N -0.288 119.639 119.914 0.022 0.000 2.358 388 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 388 V C 3.031 179.136 176.094 0.019 0.000 1.047 388 V CA 1.825 64.133 62.300 0.013 0.000 1.035 388 V CB -1.117 30.704 31.823 -0.004 0.000 0.658 388 V HN 0.613 nan 8.190 nan 0.000 0.452 389 A N -0.290 122.552 122.820 0.037 0.000 1.898 389 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 389 A C 2.167 179.772 177.584 0.036 0.000 1.181 389 A CA 1.772 53.837 52.037 0.046 0.000 0.620 389 A CB -0.429 18.622 19.000 0.084 0.000 0.819 389 A HN 0.616 nan 8.150 nan 0.000 0.442 390 E N -0.787 119.435 120.200 0.037 0.000 2.106 390 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 390 E C 2.029 178.641 176.600 0.019 0.000 0.984 390 E CA 1.220 57.637 56.400 0.029 0.000 0.806 390 E CB -0.088 29.630 29.700 0.030 0.000 0.750 390 E HN 0.697 nan 8.360 nan 0.000 0.458 391 E N 1.267 121.478 120.200 0.018 0.000 2.072 391 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 391 E C 1.853 178.460 176.600 0.011 0.000 0.985 391 E CA 1.382 57.791 56.400 0.015 0.000 0.801 391 E CB -0.197 29.513 29.700 0.017 0.000 0.750 391 E HN 0.209 nan 8.360 nan 0.000 0.452 392 A N 0.361 123.187 122.820 0.010 0.000 1.902 392 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 392 A C 2.318 179.903 177.584 0.001 0.000 1.181 392 A CA 1.824 53.864 52.037 0.004 0.000 0.623 392 A CB -0.529 18.471 19.000 -0.000 0.000 0.818 392 A HN 0.366 nan 8.150 nan 0.000 0.443 393 M N -0.976 118.626 119.600 0.002 0.000 2.132 393 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 393 M C 2.297 178.596 176.300 -0.002 0.000 1.065 393 M CA 1.779 57.077 55.300 -0.003 0.000 1.122 393 M CB -0.285 32.313 32.600 -0.002 0.000 1.365 393 M HN 0.452 nan 8.290 nan 0.000 0.411 394 K N 0.518 120.920 120.400 0.004 0.000 2.057 394 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 394 K C 1.675 178.277 176.600 0.003 0.000 1.049 394 K CA 1.234 57.524 56.287 0.004 0.000 0.931 394 K CB 0.090 32.594 32.500 0.008 0.000 0.714 394 K HN 0.247 nan 8.250 nan 0.000 0.440 395 E N -0.790 119.413 120.200 0.004 0.000 2.274 395 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 395 E C 1.133 177.733 176.600 0.002 0.000 0.996 395 E CA 1.072 57.475 56.400 0.005 0.000 0.840 395 E CB 0.280 29.985 29.700 0.008 0.000 0.772 395 E HN 0.650 nan 8.360 nan 0.000 0.491 396 G N 0.840 109.639 108.800 -0.002 0.000 2.159 396 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.227 396 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.227 396 G C 1.101 175.998 174.900 -0.006 0.000 0.986 396 G CA 0.528 45.624 45.100 -0.005 0.000 0.651 396 G HN 0.300 nan 8.290 nan 0.000 0.523 397 V N -2.098 117.813 119.914 -0.004 0.000 3.406 397 V HA 0.704 4.824 4.120 -0.000 0.000 0.263 397 V C 1.555 177.642 176.094 -0.013 0.000 1.172 397 V CA 1.098 63.395 62.300 -0.004 0.000 1.140 397 V CB -0.265 31.559 31.823 0.003 0.000 0.784 397 V HN 1.684 nan 8.190 nan 0.000 0.467 398 A N 0.862 123.670 122.820 -0.019 0.000 2.407 398 A HA 0.507 4.827 4.320 -0.000 0.000 0.248 398 A C 1.116 178.672 177.584 -0.047 0.000 1.082 398 A CA -0.206 51.811 52.037 -0.033 0.000 0.785 398 A CB 0.187 19.169 19.000 -0.031 0.000 1.020 398 A HN 0.511 nan 8.150 nan 0.000 0.489 399 R N -0.265 120.190 120.500 -0.075 0.000 2.397 399 R HA 0.192 4.532 4.340 -0.000 0.000 0.241 399 R C -0.026 176.207 176.300 -0.113 0.000 0.914 399 R CA 0.491 56.538 56.100 -0.089 0.000 1.071 399 R CB 0.589 30.827 30.300 -0.103 0.000 1.116 399 R HN 0.726 nan 8.270 nan 0.000 0.524 400 T N -0.152 114.334 114.554 -0.114 0.000 2.821 400 T HA 0.292 4.642 4.350 -0.000 0.000 0.306 400 T C -1.892 172.746 174.700 -0.104 0.000 1.313 400 T CA -0.702 61.323 62.100 -0.125 0.000 1.012 400 T CB 1.941 70.707 68.868 -0.170 0.000 1.298 400 T HN -0.033 nan 8.240 nan 0.000 0.502 401 K N 2.214 122.546 120.400 -0.113 0.000 2.324 401 K HA 0.777 5.097 4.320 -0.000 0.000 0.253 401 K C -1.109 175.408 176.600 -0.138 0.000 0.932 401 K CA -0.697 55.532 56.287 -0.097 0.000 0.799 401 K CB 1.471 33.925 32.500 -0.076 0.000 1.154 401 K HN 0.572 nan 8.250 nan 0.000 0.425 402 V N -0.407 119.442 119.914 -0.109 0.000 3.188 402 V HA 0.541 4.661 4.120 -0.000 0.000 0.305 402 V C -1.140 174.941 176.094 -0.022 0.000 1.232 402 V CA -1.279 60.933 62.300 -0.147 0.000 1.043 402 V CB 1.765 33.459 31.823 -0.215 0.000 1.068 402 V HN 0.635 nan 8.190 nan 0.000 0.439 403 K N 1.402 121.813 120.400 0.018 0.000 2.298 403 K HA 0.336 4.656 4.320 -0.000 0.000 0.280 403 K C 1.390 178.089 176.600 0.166 0.000 1.032 403 K CA 0.572 56.913 56.287 0.089 0.000 0.958 403 K CB 1.437 34.000 32.500 0.105 0.000 0.978 403 K HN 1.102 nan 8.250 nan 0.000 0.472 404 G N 2.971 111.840 108.800 0.115 0.000 2.442 404 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 404 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 404 G C 1.105 176.084 174.900 0.132 0.000 1.141 404 G CA 0.717 45.887 45.100 0.117 0.000 0.763 404 G HN 0.625 nan 8.290 nan 0.000 0.554 405 E N -0.726 119.549 120.200 0.124 0.000 2.153 405 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 405 E C 1.834 178.517 176.600 0.138 0.000 0.988 405 E CA 0.886 57.350 56.400 0.107 0.000 0.811 405 E CB -0.267 29.488 29.700 0.093 0.000 0.746 405 E HN 0.711 nan 8.360 nan 0.000 0.466 406 W N 0.299 121.614 121.300 0.025 0.000 2.381 406 W HA -0.156 4.504 4.660 -0.000 0.000 0.301 406 W C 1.785 178.343 176.519 0.065 0.000 1.205 406 W CA 1.100 58.462 57.345 0.028 0.000 1.285 406 W CB -0.146 29.310 29.460 -0.006 0.000 1.133 406 W HN -0.148 nan 8.180 nan 0.000 0.521 407 V N 0.718 120.786 119.914 0.257 0.000 2.332 407 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 407 V C 2.201 178.279 176.094 -0.026 0.000 1.055 407 V CA 2.422 64.798 62.300 0.127 0.000 1.038 407 V CB -1.045 30.909 31.823 0.218 0.000 0.651 407 V HN 0.288 nan 8.190 nan 0.000 0.450 408 E N 0.098 120.298 120.200 -0.001 0.000 2.051 408 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 408 E C 2.242 178.798 176.600 -0.075 0.000 0.991 408 E CA 1.597 57.986 56.400 -0.018 0.000 0.799 408 E CB -0.069 29.635 29.700 0.007 0.000 0.748 408 E HN 0.702 nan 8.360 nan 0.000 0.449 409 E N -0.598 119.529 120.200 -0.123 0.000 2.110 409 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 409 E C 2.091 178.551 176.600 -0.233 0.000 0.988 409 E CA 0.903 57.209 56.400 -0.157 0.000 0.804 409 E CB -0.240 29.366 29.700 -0.156 0.000 0.745 409 E HN 0.446 nan 8.360 nan 0.000 0.458 410 H N 0.328 119.047 119.070 -0.586 0.000 2.353 410 H HA -0.102 4.454 4.556 -0.000 0.000 0.300 410 H C 1.766 176.917 175.328 -0.294 0.000 1.090 410 H CA 1.638 57.296 56.048 -0.650 0.000 1.327 410 H CB 0.321 29.406 29.762 -1.128 0.000 1.383 410 H HN 0.073 nan 8.280 nan 0.000 0.508 411 T N 1.711 116.121 114.554 -0.240 0.000 2.720 411 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 411 T C 2.090 176.718 174.700 -0.121 0.000 1.037 411 T CA 1.210 63.201 62.100 -0.182 0.000 1.144 411 T CB -0.052 68.788 68.868 -0.046 0.000 0.864 411 T HN 0.254 nan 8.240 nan 0.000 0.444 412 I N 1.191 121.710 120.570 -0.085 0.000 2.252 412 I HA -0.040 4.130 4.170 -0.000 0.000 0.245 412 I C 2.547 178.641 176.117 -0.038 0.000 1.102 412 I CA 1.200 62.475 61.300 -0.041 0.000 1.385 412 I CB -1.038 36.946 38.000 -0.027 0.000 1.064 412 I HN 0.200 nan 8.210 nan 0.000 0.414 413 R N 1.097 121.557 120.500 -0.065 0.000 2.115 413 R HA -0.109 4.231 4.340 -0.000 0.000 0.230 413 R C 2.328 178.632 176.300 0.007 0.000 1.111 413 R CA 1.031 57.119 56.100 -0.020 0.000 0.976 413 R CB -0.152 30.135 30.300 -0.023 0.000 0.870 413 R HN 0.268 nan 8.270 nan 0.000 0.445 414 L N 0.180 121.352 121.223 -0.085 0.000 2.056 414 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 414 L C 2.336 179.262 176.870 0.094 0.000 1.078 414 L CA 1.253 56.075 54.840 -0.030 0.000 0.749 414 L CB -0.293 41.654 42.059 -0.186 0.000 0.901 414 L HN 0.246 nan 8.230 nan 0.000 0.433 415 I N -0.346 120.237 120.570 0.021 0.000 2.286 415 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 415 I C 2.627 178.792 176.117 0.080 0.000 1.115 415 I CA 1.311 62.626 61.300 0.026 0.000 1.392 415 I CB -0.276 37.711 38.000 -0.021 0.000 1.065 415 I HN 0.363 nan 8.210 nan 0.000 0.418 416 E N 1.164 121.408 120.200 0.074 0.000 2.077 416 E HA -0.294 4.056 4.350 -0.000 0.000 0.193 416 E C 2.237 178.898 176.600 0.101 0.000 0.989 416 E CA 1.502 57.946 56.400 0.073 0.000 0.800 416 E CB -0.195 29.545 29.700 0.066 0.000 0.746 416 E HN 0.407 nan 8.360 nan 0.000 0.452 417 F N 0.379 120.336 119.950 0.012 0.000 2.134 417 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 417 F C 2.089 177.886 175.800 -0.005 0.000 1.097 417 F CA 1.787 59.789 58.000 0.004 0.000 1.264 417 F CB -0.681 38.325 39.000 0.009 0.000 1.001 417 F HN 0.126 nan 8.300 nan 0.000 0.479 418 Y N 1.264 121.508 120.300 -0.092 0.000 2.145 418 Y HA -0.226 4.324 4.550 0.000 0.000 0.286 418 Y C 2.392 178.157 175.900 -0.225 0.000 1.145 418 Y CA 2.364 60.343 58.100 -0.201 0.000 1.148 418 Y CB -0.430 37.967 38.460 -0.105 0.000 0.981 418 Y HN 0.205 nan 8.280 nan 0.000 0.507 419 E N -0.552 119.678 120.200 0.050 0.000 2.150 419 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 419 E C 1.653 178.191 176.600 -0.103 0.000 0.985 419 E CA 1.047 57.450 56.400 0.004 0.000 0.814 419 E CB -0.152 29.566 29.700 0.029 0.000 0.752 419 E HN 0.576 nan 8.360 nan 0.000 0.466 420 N N 0.034 118.648 118.700 -0.144 0.000 2.415 420 N HA -0.024 4.716 4.740 -0.000 0.000 0.176 420 N C 1.531 176.898 175.510 -0.239 0.000 1.042 420 N CA 0.619 53.581 53.050 -0.147 0.000 0.902 420 N CB 0.957 39.394 38.487 -0.082 0.000 0.986 420 N HN 0.026 nan 8.380 nan 0.000 0.447 421 V N 0.462 120.111 119.914 -0.442 0.000 2.996 421 V HA 0.098 4.218 4.120 -0.000 0.000 0.235 421 V C 1.981 177.763 176.094 -0.520 0.000 1.205 421 V CA 0.246 62.234 62.300 -0.520 0.000 1.225 421 V CB 0.334 31.632 31.823 -0.874 0.000 0.995 421 V HN 0.013 nan 8.190 nan 0.000 0.484 422 I N 1.286 121.420 120.570 -0.727 0.000 2.339 422 I HA -0.003 4.167 4.170 -0.000 0.000 0.245 422 I C 2.782 178.570 176.117 -0.549 0.000 1.096 422 I CA 1.750 62.621 61.300 -0.715 0.000 1.408 422 I CB -1.599 35.697 38.000 -1.174 0.000 1.092 422 I HN 0.272 nan 8.210 nan 0.000 0.423 423 A N 1.905 124.409 122.820 -0.526 0.000 1.892 423 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 423 A C 0.217 177.720 177.584 -0.134 0.000 1.188 423 A CA 1.992 53.910 52.037 -0.198 0.000 0.631 423 A CB -2.083 16.889 19.000 -0.047 0.000 0.822 423 A HN 0.290 nan 8.150 nan 0.000 0.447 424 P HA -0.131 nan 4.420 nan 0.000 0.216 424 P C 1.482 178.731 177.300 -0.085 0.000 1.153 424 P CA 1.402 64.444 63.100 -0.097 0.000 0.848 424 P CB -0.256 31.383 31.700 -0.102 0.000 0.787 425 I N -3.791 116.708 120.570 -0.118 0.000 2.614 425 I HA -0.060 4.110 4.170 -0.000 0.000 0.258 425 I C 1.507 177.587 176.117 -0.062 0.000 1.189 425 I CA 1.681 62.930 61.300 -0.085 0.000 1.462 425 I CB -1.144 36.792 38.000 -0.106 0.000 1.092 425 I HN -0.203 nan 8.210 nan 0.000 0.442 426 N N 1.596 120.252 118.700 -0.073 0.000 2.409 426 N HA -0.052 4.688 4.740 -0.000 0.000 0.179 426 N C 1.574 177.074 175.510 -0.016 0.000 1.032 426 N CA 0.847 53.872 53.050 -0.042 0.000 0.898 426 N CB -0.074 38.391 38.487 -0.036 0.000 0.971 426 N HN 0.570 nan 8.380 nan 0.000 0.441 427 K N 0.596 120.987 120.400 -0.015 0.000 2.076 427 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 427 K C 1.864 178.473 176.600 0.015 0.000 1.051 427 K CA 0.747 57.034 56.287 -0.000 0.000 0.949 427 K CB 0.068 32.565 32.500 -0.005 0.000 0.726 427 K HN -0.112 nan 8.250 nan 0.000 0.443 428 K N 1.986 122.397 120.400 0.019 0.000 2.097 428 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 428 K C 1.919 178.599 176.600 0.133 0.000 1.049 428 K CA 1.310 57.633 56.287 0.061 0.000 0.933 428 K CB -0.155 32.379 32.500 0.057 0.000 0.717 428 K HN -0.049 nan 8.250 nan 0.000 0.442 429 R N 0.450 121.004 120.500 0.091 0.000 2.139 429 R HA -0.131 4.209 4.340 -0.000 0.000 0.243 429 R C 1.987 178.391 176.300 0.173 0.000 1.145 429 R CA 1.646 57.818 56.100 0.121 0.000 0.976 429 R CB -0.111 30.212 30.300 0.039 0.000 0.866 429 R HN 0.205 nan 8.270 nan 0.000 0.449 430 R N 0.245 120.800 120.500 0.091 0.000 2.127 430 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 430 R C 1.936 178.260 176.300 0.040 0.000 1.134 430 R CA 1.704 57.837 56.100 0.055 0.000 0.975 430 R CB -0.175 30.137 30.300 0.020 0.000 0.865 430 R HN 0.443 nan 8.270 nan 0.000 0.447 431 E N -0.453 119.766 120.200 0.031 0.000 2.338 431 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 431 E C 0.944 177.391 176.600 -0.256 0.000 1.007 431 E CA 0.920 57.252 56.400 -0.115 0.000 0.849 431 E CB 0.058 29.646 29.700 -0.185 0.000 0.774 431 E HN 0.505 nan 8.360 nan 0.000 0.506 432 Y N -1.363 118.820 120.300 -0.195 0.000 2.523 432 Y HA 0.046 4.596 4.550 -0.000 0.000 0.279 432 Y C 2.169 177.900 175.900 -0.281 0.000 1.139 432 Y CA 0.386 58.243 58.100 -0.405 0.000 1.296 432 Y CB 0.866 38.863 38.460 -0.772 0.000 1.045 432 Y HN -0.059 nan 8.280 nan 0.000 0.538 433 S N -1.734 113.993 115.700 0.046 0.000 4.738 433 S HA -0.025 4.445 4.470 -0.000 0.000 0.176 433 S C 1.533 176.168 174.600 0.058 0.000 1.108 433 S CA 0.247 58.504 58.200 0.094 0.000 1.277 433 S CB -0.680 62.668 63.200 0.247 0.000 1.680 433 S HN 0.042 nan 8.310 nan 0.000 0.502 434 K N 2.653 123.087 120.400 0.057 0.000 2.020 434 K HA 0.169 4.489 4.320 -0.000 0.000 0.212 434 K C 0.473 177.081 176.600 0.013 0.000 1.050 434 K CA 2.082 58.383 56.287 0.025 0.000 0.929 434 K CB -0.438 32.065 32.500 0.005 0.000 0.714 434 K HN 0.426 nan 8.250 nan 0.000 0.443 435 A N 0.595 123.417 122.820 0.003 0.000 3.030 435 A HA 0.398 4.718 4.320 -0.000 0.000 0.335 435 A C -0.822 176.742 177.584 -0.032 0.000 1.089 435 A CA -0.643 51.389 52.037 -0.009 0.000 0.807 435 A CB -0.071 18.925 19.000 -0.006 0.000 1.099 435 A HN 0.219 nan 8.150 nan 0.000 0.474 436 I N 2.470 123.017 120.570 -0.037 0.000 2.436 436 I HA 0.067 4.237 4.170 -0.000 0.000 0.289 436 I C 0.509 176.592 176.117 -0.056 0.000 1.083 436 I CA 0.103 61.363 61.300 -0.066 0.000 1.372 436 I CB 0.982 38.945 38.000 -0.062 0.000 1.408 436 I HN 0.431 nan 8.210 nan 0.000 0.516 437 T N 6.390 120.903 114.554 -0.069 0.000 2.934 437 T HA 0.140 4.490 4.350 -0.000 0.000 0.306 437 T C 0.233 174.904 174.700 -0.049 0.000 1.042 437 T CA -0.095 61.972 62.100 -0.055 0.000 1.145 437 T CB 0.394 69.225 68.868 -0.062 0.000 0.982 437 T HN 0.377 nan 8.240 nan 0.000 0.544 438 R N 0.832 121.311 120.500 -0.035 0.000 2.854 438 R HA 0.744 5.084 4.340 -0.000 0.000 0.271 438 R C 0.060 176.345 176.300 -0.026 0.000 0.996 438 R CA -0.685 55.397 56.100 -0.030 0.000 0.961 438 R CB 1.022 31.309 30.300 -0.022 0.000 1.182 438 R HN 0.776 nan 8.270 nan 0.000 0.479 439 A N 0.000 122.806 122.820 -0.023 0.000 2.254 439 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 439 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 439 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 439 A HN 0.000 nan 8.150 nan 0.000 0.486