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 2hae_1_D DATA FIRST_RESID 2 DATA SEQUENCE DALELHRFLK GKIRTALPVE KVDRETLSLL YTPGVADVAR ACAEDPEKTY DATA SEQUENCE VYTSRWNTVA VVSDGSAVLG LGNIGPYGAL PVMEGKAFLF KAFADIDAFP DATA SEQUENCE ICLSESEEEK IISIVKSLEP SFGGINLEDI GAPKCFRILQ RLSEEMNIPV DATA SEQUENCE FHDDQQGTAV VVSAAFLNAL KLTEKKIEEV KVVVNGIGAA GYNIVKFLLD DATA SEQUENCE LGVKNVVAVD RKGILNENDP ETCLNEYXXE IARITNPERL SGDLETALEG DATA SEQUENCE ADFFIGVSRG NILKPEWIKK MSRKPVIFAL ANPVPEIDPE LAREAGAFIV DATA SEQUENCE ATGRSDHPNQ VNNLLAFPGI MKGAVEKRSK ITKNMLLSAV EAIARSCEPE DATA SEQUENCE PERIIPEAFD MKVHLNVYTA VKGSA 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 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.316 176.300 0.027 0.000 2.045 2 D CA 0.000 54.002 54.000 0.003 0.000 0.868 2 D CB 0.000 40.800 40.800 -0.000 0.000 0.688 3 A N 2.787 125.627 122.820 0.034 0.000 1.865 3 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 3 A C 2.105 179.744 177.584 0.091 0.000 1.191 3 A CA 1.403 53.483 52.037 0.073 0.000 0.623 3 A CB -0.739 18.272 19.000 0.018 0.000 0.826 3 A HN 0.635 nan 8.150 nan 0.000 0.444 4 L N -0.848 120.386 121.223 0.018 0.000 2.141 4 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 4 L C 2.578 179.495 176.870 0.078 0.000 1.094 4 L CA 1.340 56.190 54.840 0.017 0.000 0.763 4 L CB -0.594 41.459 42.059 -0.010 0.000 0.908 4 L HN 0.554 nan 8.230 nan 0.000 0.437 5 E N 0.362 120.600 120.200 0.064 0.000 2.005 5 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 5 E C 2.249 178.911 176.600 0.103 0.000 1.010 5 E CA 1.210 57.648 56.400 0.063 0.000 0.825 5 E CB -0.248 29.464 29.700 0.020 0.000 0.769 5 E HN 0.392 nan 8.360 nan 0.000 0.456 6 L N 0.390 121.666 121.223 0.087 0.000 2.127 6 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 6 L C 2.417 179.369 176.870 0.136 0.000 1.089 6 L CA 1.153 56.045 54.840 0.086 0.000 0.757 6 L CB -0.501 41.572 42.059 0.023 0.000 0.899 6 L HN 0.212 nan 8.230 nan 0.000 0.434 7 H N -0.755 118.348 119.070 0.056 0.000 2.389 7 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 7 H C 2.424 177.791 175.328 0.065 0.000 1.081 7 H CA 1.446 57.522 56.048 0.047 0.000 1.345 7 H CB 0.058 29.830 29.762 0.018 0.000 1.393 7 H HN 0.153 nan 8.280 nan 0.000 0.520 8 R N -0.510 120.106 120.500 0.193 0.000 2.090 8 R HA -0.111 4.228 4.340 -0.000 0.000 0.228 8 R C 1.910 178.287 176.300 0.128 0.000 1.110 8 R CA 0.999 57.178 56.100 0.132 0.000 0.973 8 R CB -0.330 30.036 30.300 0.110 0.000 0.869 8 R HN 0.330 nan 8.270 nan 0.000 0.440 9 F N 1.338 121.297 119.950 0.016 0.000 2.095 9 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 9 F C 1.629 177.425 175.800 -0.007 0.000 1.104 9 F CA 1.540 59.542 58.000 0.003 0.000 1.232 9 F CB -0.069 38.930 39.000 -0.002 0.000 0.987 9 F HN -0.025 nan 8.300 nan 0.000 0.475 10 L N 0.122 121.391 121.223 0.077 0.000 2.376 10 L HA -0.131 4.208 4.340 -0.000 0.000 0.219 10 L C 1.000 177.825 176.870 -0.076 0.000 1.133 10 L CA 0.616 55.432 54.840 -0.039 0.000 0.816 10 L CB -0.686 41.380 42.059 0.011 0.000 0.933 10 L HN 0.088 nan 8.230 nan 0.000 0.449 11 K N 0.879 121.252 120.400 -0.045 0.000 3.016 11 K HA -0.182 4.138 4.320 -0.000 0.000 0.262 11 K C 0.343 176.935 176.600 -0.013 0.000 1.043 11 K CA 0.891 57.161 56.287 -0.028 0.000 0.761 11 K CB -1.732 30.733 32.500 -0.059 0.000 1.230 11 K HN 0.684 nan 8.250 nan 0.000 0.485 12 G N -0.859 107.935 108.800 -0.011 0.000 2.334 12 G HA2 0.025 3.984 3.960 -0.000 0.000 0.566 12 G HA3 0.025 3.984 3.960 -0.000 0.000 0.566 12 G C -0.423 174.462 174.900 -0.025 0.000 1.413 12 G CA -0.395 44.702 45.100 -0.005 0.000 0.993 12 G HN 0.007 nan 8.290 nan 0.000 0.642 13 K N -0.492 119.905 120.400 -0.005 0.000 2.478 13 K HA 0.499 4.819 4.320 -0.000 0.000 0.205 13 K C 0.057 176.735 176.600 0.131 0.000 1.033 13 K CA 0.076 56.383 56.287 0.033 0.000 1.091 13 K CB 0.791 33.276 32.500 -0.025 0.000 0.844 13 K HN 0.407 nan 8.250 nan 0.000 0.507 14 I N 1.659 122.272 120.570 0.072 0.000 2.667 14 I HA 0.246 4.416 4.170 -0.000 0.000 0.288 14 I C -1.002 175.150 176.117 0.059 0.000 1.267 14 I CA -0.632 60.712 61.300 0.073 0.000 1.055 14 I CB 1.610 39.636 38.000 0.043 0.000 1.294 14 I HN 0.033 nan 8.210 nan 0.000 0.429 15 R N 3.075 123.615 120.500 0.067 0.000 3.029 15 R HA 0.834 5.174 4.340 -0.000 0.000 0.239 15 R C -0.948 175.397 176.300 0.075 0.000 1.351 15 R CA -0.904 55.234 56.100 0.063 0.000 1.052 15 R CB 1.697 32.021 30.300 0.040 0.000 1.354 15 R HN 0.515 nan 8.270 nan 0.000 0.499 16 T N -2.227 112.363 114.554 0.059 0.000 2.906 16 T HA 0.801 5.151 4.350 -0.000 0.000 0.295 16 T C -0.814 173.900 174.700 0.024 0.000 1.061 16 T CA -0.982 61.146 62.100 0.048 0.000 1.000 16 T CB 2.066 70.963 68.868 0.048 0.000 1.103 16 T HN 0.717 nan 8.240 nan 0.000 0.486 17 A N 1.750 124.579 122.820 0.016 0.000 2.413 17 A HA 0.833 5.152 4.320 -0.000 0.000 0.307 17 A C -1.241 176.347 177.584 0.007 0.000 1.087 17 A CA -1.054 50.989 52.037 0.010 0.000 0.750 17 A CB 0.892 19.898 19.000 0.011 0.000 1.296 17 A HN 0.932 nan 8.150 nan 0.000 0.423 18 L N 0.408 121.635 121.223 0.006 0.000 2.346 18 L HA 0.691 5.031 4.340 -0.000 0.000 0.274 18 L C -1.359 175.519 176.870 0.013 0.000 1.007 18 L CA -1.804 53.040 54.840 0.007 0.000 0.818 18 L CB -0.369 41.690 42.059 -0.000 0.000 1.284 18 L HN 0.455 nan 8.230 nan 0.000 0.424 19 P HA -0.130 nan 4.420 nan 0.000 0.215 19 P C 0.355 177.667 177.300 0.019 0.000 1.157 19 P CA 1.035 64.151 63.100 0.026 0.000 0.874 19 P CB 0.088 31.809 31.700 0.035 0.000 0.790 20 V N 1.075 120.998 119.914 0.015 0.000 2.583 20 V HA 0.063 4.183 4.120 -0.000 0.000 0.287 20 V C 2.050 178.148 176.094 0.007 0.000 1.051 20 V CA -0.013 62.294 62.300 0.011 0.000 1.010 20 V CB 1.119 32.948 31.823 0.010 0.000 0.988 20 V HN 0.098 nan 8.190 nan 0.000 0.478 21 E N 3.414 123.618 120.200 0.006 0.000 2.021 21 E HA -0.037 4.312 4.350 -0.000 0.000 0.189 21 E C 0.979 177.579 176.600 0.001 0.000 0.980 21 E CA 0.869 57.272 56.400 0.003 0.000 0.803 21 E CB 0.252 29.955 29.700 0.004 0.000 0.766 21 E HN 0.616 nan 8.360 nan 0.000 0.449 22 K N 0.529 120.929 120.400 0.001 0.000 2.426 22 K HA 0.296 4.616 4.320 -0.000 0.000 0.254 22 K C -1.052 175.547 176.600 -0.001 0.000 0.936 22 K CA -0.670 55.617 56.287 -0.001 0.000 0.801 22 K CB 1.940 34.439 32.500 -0.001 0.000 1.139 22 K HN -0.044 nan 8.250 nan 0.000 0.424 23 V N 2.811 122.723 119.914 -0.003 0.000 3.441 23 V HA 0.334 4.454 4.120 -0.000 0.000 0.300 23 V C -0.009 176.083 176.094 -0.002 0.000 1.062 23 V CA 0.044 62.343 62.300 -0.003 0.000 1.064 23 V CB 1.258 33.076 31.823 -0.008 0.000 1.197 23 V HN 1.113 nan 8.190 nan 0.000 0.451 24 D N -0.331 120.069 120.400 0.000 0.000 2.764 24 D HA 0.145 4.785 4.640 -0.000 0.000 0.293 24 D C 0.406 176.709 176.300 0.005 0.000 1.287 24 D CA -0.793 53.208 54.000 0.002 0.000 0.768 24 D CB 1.273 42.075 40.800 0.002 0.000 1.288 24 D HN 0.165 nan 8.370 nan 0.000 0.426 25 R N 1.060 121.564 120.500 0.006 0.000 2.196 25 R HA -0.285 4.055 4.340 -0.000 0.000 0.234 25 R C 1.855 178.162 176.300 0.013 0.000 1.113 25 R CA 3.022 59.128 56.100 0.010 0.000 0.899 25 R CB -1.114 29.191 30.300 0.007 0.000 0.863 25 R HN 0.706 nan 8.270 nan 0.000 0.430 26 E N -1.041 119.165 120.200 0.010 0.000 2.095 26 E HA -0.292 4.058 4.350 -0.000 0.000 0.212 26 E C 1.672 178.281 176.600 0.014 0.000 1.044 26 E CA 2.707 59.112 56.400 0.010 0.000 0.857 26 E CB -0.391 29.313 29.700 0.007 0.000 0.764 26 E HN 0.583 nan 8.360 nan 0.000 0.462 27 T N 2.017 116.580 114.554 0.014 0.000 2.607 27 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 27 T C 1.995 176.713 174.700 0.030 0.000 1.049 27 T CA 1.883 63.993 62.100 0.018 0.000 1.162 27 T CB -0.411 68.465 68.868 0.014 0.000 0.863 27 T HN 0.210 nan 8.240 nan 0.000 0.424 28 L N 1.655 122.899 121.223 0.035 0.000 2.079 28 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 28 L C 2.905 179.826 176.870 0.084 0.000 1.081 28 L CA 1.627 56.507 54.840 0.067 0.000 0.752 28 L CB -1.058 41.037 42.059 0.059 0.000 0.896 28 L HN 0.438 nan 8.230 nan 0.000 0.433 29 S N -0.458 115.271 115.700 0.048 0.000 2.465 29 S HA -0.126 4.344 4.470 -0.000 0.000 0.241 29 S C 1.774 176.382 174.600 0.012 0.000 1.000 29 S CA 0.914 59.131 58.200 0.028 0.000 0.964 29 S CB -0.257 62.950 63.200 0.013 0.000 0.763 29 S HN 0.424 nan 8.310 nan 0.000 0.512 30 L N -0.364 120.871 121.223 0.020 0.000 2.349 30 L HA 0.349 4.689 4.340 -0.000 0.000 0.200 30 L C 2.076 178.954 176.870 0.013 0.000 1.064 30 L CA 0.437 55.280 54.840 0.005 0.000 0.821 30 L CB -0.197 41.865 42.059 0.005 0.000 1.027 30 L HN 0.273 nan 8.230 nan 0.000 0.476 31 L N -1.194 120.057 121.223 0.047 0.000 2.599 31 L HA 0.011 4.351 4.340 -0.000 0.000 0.230 31 L C 0.120 177.085 176.870 0.159 0.000 1.141 31 L CA 0.352 55.235 54.840 0.072 0.000 0.877 31 L CB -0.048 42.050 42.059 0.065 0.000 1.009 31 L HN 0.208 nan 8.230 nan 0.000 0.447 32 Y N -0.988 119.295 120.300 -0.029 0.000 2.853 32 Y HA 0.176 4.726 4.550 -0.000 0.000 0.326 32 Y C 0.011 175.892 175.900 -0.031 0.000 1.384 32 Y CA -1.589 56.493 58.100 -0.030 0.000 1.077 32 Y CB 0.755 39.200 38.460 -0.026 0.000 1.395 32 Y HN -0.055 nan 8.280 nan 0.000 0.451 33 T N 2.280 116.431 114.554 -0.671 0.000 2.923 33 T HA 0.082 4.432 4.350 -0.000 0.000 0.304 33 T C -1.980 172.672 174.700 -0.080 0.000 1.044 33 T CA -0.344 61.554 62.100 -0.335 0.000 1.141 33 T CB 0.617 69.303 68.868 -0.303 0.000 1.023 33 T HN 0.547 nan 8.240 nan 0.000 0.533 34 P HA 0.105 nan 4.420 nan 0.000 0.234 34 P C 1.754 178.989 177.300 -0.107 0.000 1.175 34 P CA 0.583 63.624 63.100 -0.099 0.000 0.801 34 P CB -0.257 31.407 31.700 -0.060 0.000 0.891 35 G N 1.362 110.111 108.800 -0.084 0.000 2.545 35 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.217 35 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.217 35 G C 1.666 176.497 174.900 -0.115 0.000 1.218 35 G CA 0.974 46.024 45.100 -0.083 0.000 0.787 35 G HN 0.209 nan 8.290 nan 0.000 0.571 36 V N 1.618 121.454 119.914 -0.131 0.000 2.613 36 V HA -0.171 3.949 4.120 -0.000 0.000 0.259 36 V C 3.042 179.036 176.094 -0.168 0.000 1.099 36 V CA 2.332 64.541 62.300 -0.150 0.000 1.115 36 V CB -0.663 31.055 31.823 -0.175 0.000 0.686 36 V HN 0.490 nan 8.190 nan 0.000 0.481 37 A N -1.315 121.402 122.820 -0.172 0.000 2.172 37 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 37 A C 1.878 179.389 177.584 -0.120 0.000 1.154 37 A CA 1.558 53.507 52.037 -0.147 0.000 0.701 37 A CB -0.349 18.570 19.000 -0.135 0.000 0.789 37 A HN 0.662 nan 8.150 nan 0.000 0.465 38 D N -0.880 119.443 120.400 -0.128 0.000 2.354 38 D HA 0.065 4.705 4.640 -0.000 0.000 0.209 38 D C 1.617 177.814 176.300 -0.171 0.000 1.015 38 D CA 0.584 54.509 54.000 -0.125 0.000 0.867 38 D CB 0.523 41.256 40.800 -0.113 0.000 0.933 38 D HN 0.288 nan 8.370 nan 0.000 0.520 39 V N 1.137 120.922 119.914 -0.214 0.000 2.725 39 V HA -0.020 4.100 4.120 -0.000 0.000 0.247 39 V C 2.525 178.530 176.094 -0.148 0.000 1.058 39 V CA 1.170 63.288 62.300 -0.304 0.000 1.080 39 V CB -0.201 31.431 31.823 -0.318 0.000 0.713 39 V HN 0.087 nan 8.190 nan 0.000 0.465 40 A N 0.828 123.580 122.820 -0.113 0.000 1.858 40 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 40 A C 2.305 179.859 177.584 -0.049 0.000 1.190 40 A CA 2.217 54.211 52.037 -0.072 0.000 0.617 40 A CB -0.561 18.391 19.000 -0.081 0.000 0.827 40 A HN 0.410 nan 8.150 nan 0.000 0.443 41 R N 0.015 120.480 120.500 -0.058 0.000 2.105 41 R HA -0.087 4.253 4.340 -0.000 0.000 0.239 41 R C 2.059 178.350 176.300 -0.015 0.000 1.135 41 R CA 1.839 57.916 56.100 -0.038 0.000 0.967 41 R CB -0.746 29.527 30.300 -0.045 0.000 0.861 41 R HN 0.459 nan 8.270 nan 0.000 0.442 42 A N -1.301 121.510 122.820 -0.015 0.000 2.016 42 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 42 A C 2.222 179.857 177.584 0.085 0.000 1.162 42 A CA 1.284 53.348 52.037 0.046 0.000 0.662 42 A CB -0.548 18.496 19.000 0.073 0.000 0.812 42 A HN 0.503 nan 8.150 nan 0.000 0.450 43 C N -1.262 118.077 119.300 0.065 0.000 2.495 43 C HA 0.340 4.800 4.460 -0.000 0.000 0.275 43 C C 3.083 178.090 174.990 0.028 0.000 1.392 43 C CA 0.227 59.284 59.018 0.065 0.000 1.766 43 C CB -0.922 26.851 27.740 0.054 0.000 1.933 43 C HN 0.696 nan 8.230 nan 0.000 0.519 44 A N 0.900 123.727 122.820 0.013 0.000 1.874 44 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 44 A C 2.145 179.738 177.584 0.015 0.000 1.189 44 A CA 1.513 53.553 52.037 0.005 0.000 0.615 44 A CB -0.612 18.385 19.000 -0.005 0.000 0.830 44 A HN 0.649 nan 8.150 nan 0.000 0.443 45 E N 0.460 120.672 120.200 0.020 0.000 2.012 45 E HA -0.256 4.093 4.350 -0.000 0.000 0.211 45 E C -0.286 176.334 176.600 0.033 0.000 1.029 45 E CA 1.705 58.120 56.400 0.026 0.000 0.867 45 E CB -0.284 29.436 29.700 0.034 0.000 0.790 45 E HN 0.400 nan 8.360 nan 0.000 0.482 46 D N -0.341 120.088 120.400 0.047 0.000 2.453 46 D HA 0.227 4.867 4.640 -0.000 0.000 0.238 46 D C -2.156 174.179 176.300 0.057 0.000 1.088 46 D CA -2.458 51.572 54.000 0.051 0.000 0.854 46 D CB 1.713 42.546 40.800 0.056 0.000 1.076 46 D HN -0.100 nan 8.370 nan 0.000 0.533 47 P HA -0.113 nan 4.420 nan 0.000 0.223 47 P C 0.708 178.042 177.300 0.057 0.000 1.144 47 P CA 0.663 63.785 63.100 0.037 0.000 0.783 47 P CB 0.361 32.079 31.700 0.030 0.000 0.771 48 E N -0.308 119.951 120.200 0.097 0.000 2.516 48 E HA -0.081 4.269 4.350 -0.000 0.000 0.199 48 E C 1.212 177.916 176.600 0.173 0.000 1.069 48 E CA 0.760 57.266 56.400 0.176 0.000 0.876 48 E CB -0.511 29.270 29.700 0.137 0.000 0.843 48 E HN 0.153 nan 8.360 nan 0.000 0.530 49 K N -1.083 119.372 120.400 0.092 0.000 2.374 49 K HA 0.041 4.360 4.320 -0.000 0.000 0.196 49 K C 1.377 177.985 176.600 0.013 0.000 1.023 49 K CA 0.827 57.132 56.287 0.029 0.000 1.103 49 K CB 0.509 33.055 32.500 0.077 0.000 0.848 49 K HN 0.172 nan 8.250 nan 0.000 0.528 50 T N -1.802 112.754 114.554 0.002 0.000 3.098 50 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 50 T C 1.287 175.914 174.700 -0.122 0.000 1.145 50 T CA 0.777 62.838 62.100 -0.065 0.000 1.092 50 T CB -0.246 68.513 68.868 -0.182 0.000 0.908 50 T HN 0.129 nan 8.240 nan 0.000 0.526 51 Y N 0.119 120.446 120.300 0.046 0.000 2.500 51 Y HA 0.401 4.950 4.550 -0.000 0.000 0.270 51 Y C 2.227 178.141 175.900 0.023 0.000 1.134 51 Y CA -0.430 57.733 58.100 0.106 0.000 1.293 51 Y CB 0.437 38.943 38.460 0.077 0.000 1.063 51 Y HN 0.154 nan 8.280 nan 0.000 0.534 52 V N -2.280 117.609 119.914 -0.043 0.000 3.431 52 V HA -0.064 4.056 4.120 -0.000 0.000 0.253 52 V C 0.547 176.435 176.094 -0.343 0.000 1.184 52 V CA 0.994 63.104 62.300 -0.317 0.000 1.104 52 V CB -0.132 31.319 31.823 -0.619 0.000 0.799 52 V HN 0.235 nan 8.190 nan 0.000 0.462 53 Y N 0.246 120.599 120.300 0.088 0.000 2.430 53 Y HA 0.309 4.859 4.550 -0.000 0.000 0.254 53 Y C 1.449 177.395 175.900 0.077 0.000 1.088 53 Y CA 0.076 58.215 58.100 0.065 0.000 1.267 53 Y CB -0.007 38.470 38.460 0.028 0.000 1.204 53 Y HN 0.334 nan 8.280 nan 0.000 0.515 54 T N -4.074 110.609 114.554 0.215 0.000 2.804 54 T HA 0.337 4.686 4.350 -0.000 0.000 0.272 54 T C 1.036 175.820 174.700 0.142 0.000 0.986 54 T CA -0.291 61.881 62.100 0.121 0.000 0.999 54 T CB 1.372 70.245 68.868 0.009 0.000 1.307 54 T HN -0.162 nan 8.240 nan 0.000 0.586 55 S N -0.716 114.963 115.700 -0.035 0.000 2.558 55 S HA 0.107 4.577 4.470 -0.000 0.000 0.217 55 S C 1.877 176.258 174.600 -0.364 0.000 0.975 55 S CA -0.011 58.045 58.200 -0.240 0.000 0.912 55 S CB -0.506 62.545 63.200 -0.249 0.000 0.776 55 S HN 0.713 nan 8.310 nan 0.000 0.526 56 R N 2.280 122.656 120.500 -0.207 0.000 2.190 56 R HA -0.200 4.140 4.340 -0.000 0.000 0.255 56 R C 2.118 178.393 176.300 -0.041 0.000 1.143 56 R CA 2.412 58.380 56.100 -0.220 0.000 0.965 56 R CB -0.747 29.300 30.300 -0.422 0.000 0.889 56 R HN 0.775 nan 8.270 nan 0.000 0.448 57 W N -0.966 120.427 121.300 0.155 0.000 2.424 57 W HA -0.094 4.566 4.660 -0.000 0.000 0.264 57 W C 0.483 177.101 176.519 0.166 0.000 1.229 57 W CA 1.046 58.582 57.345 0.318 0.000 1.208 57 W CB -0.461 29.147 29.460 0.247 0.000 1.127 57 W HN 0.229 nan 8.180 nan 0.000 0.588 58 N N 0.646 118.803 118.700 -0.905 0.000 2.143 58 N HA 0.012 4.752 4.740 -0.000 0.000 0.229 58 N C -0.417 174.818 175.510 -0.457 0.000 1.294 58 N CA 0.459 52.967 53.050 -0.904 0.000 0.883 58 N CB 0.335 37.668 38.487 -1.923 0.000 1.148 58 N HN 0.015 nan 8.380 nan 0.000 0.511 59 T N -1.733 112.649 114.554 -0.287 0.000 2.867 59 T HA 0.711 5.061 4.350 -0.000 0.000 0.282 59 T C -0.243 174.473 174.700 0.026 0.000 1.000 59 T CA -0.623 61.412 62.100 -0.108 0.000 1.042 59 T CB 1.978 70.801 68.868 -0.075 0.000 0.973 59 T HN -0.192 nan 8.240 nan 0.000 0.465 60 V N 1.340 121.252 119.914 -0.004 0.000 2.760 60 V HA 0.737 4.857 4.120 -0.000 0.000 0.309 60 V C -0.106 175.828 176.094 -0.267 0.000 1.077 60 V CA -1.160 61.049 62.300 -0.152 0.000 0.910 60 V CB 1.934 33.496 31.823 -0.435 0.000 1.008 60 V HN 1.326 nan 8.190 nan 0.000 0.424 61 A N 3.889 126.351 122.820 -0.596 0.000 2.274 61 A HA 0.734 5.054 4.320 -0.000 0.000 0.309 61 A C -0.492 176.831 177.584 -0.436 0.000 1.226 61 A CA -0.411 51.133 52.037 -0.822 0.000 0.853 61 A CB 1.119 19.119 19.000 -1.667 0.000 1.146 61 A HN 0.737 nan 8.150 nan 0.000 0.518 62 V N 4.848 124.591 119.914 -0.286 0.000 2.284 62 V HA 0.163 4.283 4.120 -0.000 0.000 0.260 62 V C -0.046 175.942 176.094 -0.176 0.000 1.084 62 V CA -0.202 61.988 62.300 -0.184 0.000 0.894 62 V CB 0.483 32.244 31.823 -0.103 0.000 1.119 62 V HN 0.606 nan 8.190 nan 0.000 0.484 63 V N 4.101 123.901 119.914 -0.190 0.000 2.465 63 V HA 0.650 4.769 4.120 -0.000 0.000 0.279 63 V C 0.323 176.318 176.094 -0.167 0.000 1.045 63 V CA 0.154 62.350 62.300 -0.173 0.000 0.938 63 V CB 1.474 33.192 31.823 -0.176 0.000 0.986 63 V HN 0.784 nan 8.190 nan 0.000 0.467 64 S N 1.656 117.268 115.700 -0.147 0.000 2.570 64 S HA 0.466 4.936 4.470 -0.000 0.000 0.270 64 S C -0.325 174.198 174.600 -0.129 0.000 1.149 64 S CA -0.294 57.819 58.200 -0.144 0.000 0.837 64 S CB 2.134 65.259 63.200 -0.126 0.000 1.124 64 S HN 0.933 nan 8.310 nan 0.000 0.465 65 D N 0.857 121.184 120.400 -0.121 0.000 2.469 65 D HA 0.222 4.862 4.640 -0.000 0.000 0.213 65 D C 1.171 177.413 176.300 -0.096 0.000 1.135 65 D CA 0.652 54.587 54.000 -0.107 0.000 0.834 65 D CB -0.099 40.645 40.800 -0.094 0.000 1.009 65 D HN 1.260 nan 8.370 nan 0.000 0.507 66 G N 1.202 109.947 108.800 -0.092 0.000 2.153 66 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.252 66 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.252 66 G C 1.027 175.894 174.900 -0.055 0.000 0.994 66 G CA 0.907 45.965 45.100 -0.071 0.000 0.698 66 G HN 0.677 nan 8.290 nan 0.000 0.521 67 S N -1.585 114.077 115.700 -0.062 0.000 2.562 67 S HA 0.576 5.046 4.470 -0.000 0.000 0.221 67 S C 1.351 175.922 174.600 -0.049 0.000 0.975 67 S CA 1.033 59.201 58.200 -0.052 0.000 0.918 67 S CB 0.493 63.657 63.200 -0.060 0.000 0.772 67 S HN 1.934 nan 8.310 nan 0.000 0.531 68 A N 0.722 123.512 122.820 -0.050 0.000 2.958 68 A HA 0.555 4.875 4.320 -0.000 0.000 0.214 68 A C -0.141 177.424 177.584 -0.033 0.000 0.902 68 A CA -0.478 51.535 52.037 -0.041 0.000 1.136 68 A CB 0.144 19.116 19.000 -0.048 0.000 1.250 68 A HN 0.246 nan 8.150 nan 0.000 0.497 69 V N 2.340 122.235 119.914 -0.032 0.000 2.475 69 V HA 0.040 4.160 4.120 -0.000 0.000 0.292 69 V C 1.550 177.633 176.094 -0.018 0.000 1.003 69 V CA 0.889 63.173 62.300 -0.026 0.000 1.120 69 V CB -1.093 30.715 31.823 -0.025 0.000 0.937 69 V HN 0.747 nan 8.190 nan 0.000 0.476 70 L N 4.188 125.403 121.223 -0.014 0.000 5.941 70 L HA -0.294 4.046 4.340 -0.000 0.000 0.053 70 L C 1.685 178.551 176.870 -0.008 0.000 2.109 70 L CA 1.532 56.367 54.840 -0.008 0.000 1.775 70 L CB -1.450 40.606 42.059 -0.006 0.000 2.631 70 L HN 0.770 nan 8.230 nan 0.000 0.953 71 G N -0.827 107.971 108.800 -0.004 0.000 3.523 71 G HA2 0.493 4.452 3.960 -0.000 0.000 0.270 71 G HA3 0.493 4.452 3.960 -0.000 0.000 0.270 71 G C 0.901 175.800 174.900 -0.001 0.000 1.134 71 G CA -0.059 45.040 45.100 -0.001 0.000 0.825 71 G HN 0.340 nan 8.290 nan 0.000 0.534 72 L N -0.548 120.672 121.223 -0.005 0.000 2.513 72 L HA 0.361 4.701 4.340 -0.000 0.000 0.222 72 L C 1.564 178.430 176.870 -0.005 0.000 1.096 72 L CA 0.471 55.308 54.840 -0.005 0.000 0.857 72 L CB -0.331 41.724 42.059 -0.007 0.000 1.026 72 L HN 0.355 nan 8.230 nan 0.000 0.469 73 G N 1.190 109.984 108.800 -0.009 0.000 2.482 73 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.214 73 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.214 73 G C -0.365 174.526 174.900 -0.015 0.000 1.271 73 G CA -0.140 44.953 45.100 -0.011 0.000 0.944 73 G HN 0.211 nan 8.290 nan 0.000 0.568 74 N N 1.738 120.430 118.700 -0.013 0.000 3.178 74 N HA 0.310 5.050 4.740 -0.000 0.000 0.300 74 N C 1.810 177.316 175.510 -0.007 0.000 1.242 74 N CA 0.409 53.450 53.050 -0.015 0.000 1.192 74 N CB -0.688 37.791 38.487 -0.014 0.000 1.463 74 N HN 0.782 nan 8.380 nan 0.000 0.539 75 I N -1.895 118.672 120.570 -0.006 0.000 3.251 75 I HA 0.337 4.506 4.170 -0.000 0.000 0.277 75 I C 0.925 177.053 176.117 0.019 0.000 1.268 75 I CA 0.021 61.325 61.300 0.006 0.000 1.449 75 I CB -0.552 37.451 38.000 0.005 0.000 1.083 75 I HN 0.270 nan 8.210 nan 0.000 0.464 76 G N 2.016 110.816 108.800 0.001 0.000 2.603 76 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 76 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 76 G C -2.312 172.559 174.900 -0.048 0.000 1.286 76 G CA -0.227 44.872 45.100 -0.001 0.000 0.871 76 G HN 0.046 nan 8.290 nan 0.000 0.568 77 P HA -0.088 nan 4.420 nan 0.000 0.217 77 P C 1.365 178.503 177.300 -0.270 0.000 1.151 77 P CA 1.742 64.691 63.100 -0.251 0.000 0.828 77 P CB 0.001 31.468 31.700 -0.387 0.000 0.788 78 Y N 0.908 121.196 120.300 -0.020 0.000 2.224 78 Y HA -0.040 4.510 4.550 -0.000 0.000 0.289 78 Y C 2.952 178.839 175.900 -0.022 0.000 1.146 78 Y CA 1.795 59.884 58.100 -0.018 0.000 1.182 78 Y CB -1.617 36.834 38.460 -0.014 0.000 0.983 78 Y HN 0.001 nan 8.280 nan 0.000 0.524 79 G N -0.917 107.945 108.800 0.103 0.000 2.430 79 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.216 79 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.216 79 G C 1.866 176.768 174.900 0.003 0.000 1.146 79 G CA 0.692 45.820 45.100 0.046 0.000 0.793 79 G HN 0.447 nan 8.290 nan 0.000 0.537 80 A N 0.534 123.339 122.820 -0.025 0.000 1.968 80 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 80 A C 2.273 179.830 177.584 -0.045 0.000 1.169 80 A CA 1.394 53.404 52.037 -0.044 0.000 0.638 80 A CB -0.388 18.570 19.000 -0.071 0.000 0.812 80 A HN 0.374 nan 8.150 nan 0.000 0.446 81 L N 0.974 122.167 121.223 -0.051 0.000 1.991 81 L HA -0.166 4.174 4.340 -0.000 0.000 0.221 81 L C -0.467 176.390 176.870 -0.021 0.000 1.079 81 L CA 3.126 57.937 54.840 -0.048 0.000 0.778 81 L CB -1.196 40.846 42.059 -0.029 0.000 0.893 81 L HN 0.275 nan 8.230 nan 0.000 0.437 82 P HA -0.113 nan 4.420 nan 0.000 0.222 82 P C 1.797 179.119 177.300 0.036 0.000 1.147 82 P CA 1.423 64.544 63.100 0.034 0.000 0.790 82 P CB -0.009 31.706 31.700 0.025 0.000 0.780 83 V N -0.500 119.418 119.914 0.008 0.000 2.788 83 V HA -0.094 4.025 4.120 -0.000 0.000 0.251 83 V C 2.466 178.568 176.094 0.012 0.000 1.068 83 V CA 1.301 63.608 62.300 0.012 0.000 1.090 83 V CB -0.989 30.830 31.823 -0.007 0.000 0.710 83 V HN 0.029 nan 8.190 nan 0.000 0.467 84 M N -0.669 118.924 119.600 -0.011 0.000 2.506 84 M HA 0.055 4.535 4.480 -0.000 0.000 0.260 84 M C 1.921 178.217 176.300 -0.006 0.000 1.104 84 M CA 0.882 56.168 55.300 -0.024 0.000 1.112 84 M CB -0.844 31.716 32.600 -0.067 0.000 1.401 84 M HN 0.416 nan 8.290 nan 0.000 0.473 85 E N 0.095 120.297 120.200 0.003 0.000 2.158 85 E HA -0.023 4.326 4.350 -0.000 0.000 0.191 85 E C 2.107 178.774 176.600 0.111 0.000 0.982 85 E CA 0.929 57.345 56.400 0.026 0.000 0.823 85 E CB -0.058 29.653 29.700 0.019 0.000 0.766 85 E HN 0.563 nan 8.360 nan 0.000 0.468 86 G N 1.792 110.653 108.800 0.103 0.000 2.408 86 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 86 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 86 G C 1.605 176.631 174.900 0.211 0.000 1.150 86 G CA 0.317 45.496 45.100 0.132 0.000 0.776 86 G HN 0.037 nan 8.290 nan 0.000 0.542 87 K N 0.609 121.104 120.400 0.158 0.000 2.296 87 K HA 0.170 4.489 4.320 -0.000 0.000 0.200 87 K C 2.725 179.525 176.600 0.334 0.000 1.048 87 K CA 0.757 57.142 56.287 0.164 0.000 0.966 87 K CB 0.028 32.528 32.500 -0.000 0.000 0.754 87 K HN 0.281 nan 8.250 nan 0.000 0.466 88 A N 0.641 123.631 122.820 0.283 0.000 1.970 88 A HA -0.103 4.216 4.320 -0.000 0.000 0.216 88 A C 1.896 179.678 177.584 0.331 0.000 1.170 88 A CA 0.649 52.864 52.037 0.297 0.000 0.645 88 A CB -0.420 18.651 19.000 0.119 0.000 0.816 88 A HN 0.290 nan 8.150 nan 0.000 0.447 89 F N 0.797 120.843 119.950 0.160 0.000 2.098 89 F HA -0.072 4.455 4.527 -0.000 0.000 0.294 89 F C 1.845 177.744 175.800 0.164 0.000 1.107 89 F CA 1.562 59.636 58.000 0.125 0.000 1.234 89 F CB -0.321 38.731 39.000 0.087 0.000 1.002 89 F HN 0.120 nan 8.300 nan 0.000 0.472 90 L N -0.822 120.717 121.223 0.528 0.000 2.081 90 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 90 L C 2.468 179.510 176.870 0.286 0.000 1.080 90 L CA 1.383 56.498 54.840 0.458 0.000 0.754 90 L CB -0.972 41.392 42.059 0.508 0.000 0.893 90 L HN 0.140 nan 8.230 nan 0.000 0.433 91 F N 0.535 120.672 119.950 0.311 0.000 2.134 91 F HA -0.244 4.283 4.527 -0.000 0.000 0.299 91 F C 2.639 178.450 175.800 0.020 0.000 1.097 91 F CA 1.719 59.848 58.000 0.216 0.000 1.264 91 F CB -0.297 38.807 39.000 0.174 0.000 1.001 91 F HN -0.051 nan 8.300 nan 0.000 0.479 92 K N 0.465 120.930 120.400 0.108 0.000 2.062 92 K HA -0.008 4.311 4.320 -0.000 0.000 0.205 92 K C 2.084 178.537 176.600 -0.246 0.000 1.051 92 K CA 1.299 57.535 56.287 -0.084 0.000 0.941 92 K CB -0.626 31.777 32.500 -0.161 0.000 0.719 92 K HN 0.102 nan 8.250 nan 0.000 0.440 93 A N -0.404 122.153 122.820 -0.438 0.000 1.877 93 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 93 A C 1.900 179.063 177.584 -0.702 0.000 1.186 93 A CA 1.554 53.189 52.037 -0.670 0.000 0.620 93 A CB -0.702 17.747 19.000 -0.917 0.000 0.822 93 A HN 0.362 nan 8.150 nan 0.000 0.443 94 F N -1.870 117.922 119.950 -0.264 0.000 2.746 94 F HA 0.422 4.949 4.527 -0.000 0.000 0.297 94 F C 1.916 177.516 175.800 -0.333 0.000 1.113 94 F CA 0.654 58.397 58.000 -0.428 0.000 1.367 94 F CB 0.479 38.971 39.000 -0.847 0.000 1.111 94 F HN 0.262 nan 8.300 nan 0.000 0.590 95 A N -0.914 121.884 122.820 -0.037 0.000 2.653 95 A HA 0.229 4.549 4.320 -0.000 0.000 0.248 95 A C 0.469 178.047 177.584 -0.010 0.000 1.211 95 A CA 0.191 52.226 52.037 -0.004 0.000 0.991 95 A CB -0.160 18.914 19.000 0.124 0.000 1.252 95 A HN 0.205 nan 8.150 nan 0.000 0.593 96 D N -0.419 119.960 120.400 -0.034 0.000 2.708 96 D HA -0.157 4.483 4.640 -0.000 0.000 0.236 96 D C -0.414 175.879 176.300 -0.012 0.000 1.146 96 D CA 0.824 54.802 54.000 -0.036 0.000 0.662 96 D CB -1.345 39.437 40.800 -0.030 0.000 1.059 96 D HN 0.520 nan 8.370 nan 0.000 0.428 97 I N 0.580 121.167 120.570 0.029 0.000 2.392 97 I HA 0.202 4.372 4.170 -0.000 0.000 0.295 97 I C 0.243 176.339 176.117 -0.035 0.000 0.985 97 I CA -0.793 60.501 61.300 -0.011 0.000 1.221 97 I CB 1.309 39.343 38.000 0.058 0.000 1.366 97 I HN -0.043 nan 8.210 nan 0.000 0.467 98 D N 6.993 127.330 120.400 -0.106 0.000 2.453 98 D HA 0.293 4.933 4.640 -0.000 0.000 0.223 98 D C -0.062 176.223 176.300 -0.025 0.000 1.183 98 D CA 0.030 53.996 54.000 -0.057 0.000 0.933 98 D CB 1.129 41.870 40.800 -0.097 0.000 1.038 98 D HN 0.461 nan 8.370 nan 0.000 0.513 99 A N 2.606 125.425 122.820 -0.003 0.000 2.274 99 A HA 0.457 4.777 4.320 -0.000 0.000 0.309 99 A C -0.772 176.882 177.584 0.118 0.000 1.226 99 A CA -0.553 51.459 52.037 -0.042 0.000 0.853 99 A CB 0.416 19.312 19.000 -0.174 0.000 1.146 99 A HN 0.377 nan 8.150 nan 0.000 0.518 100 F N 5.372 125.302 119.950 -0.033 0.000 2.444 100 F HA 0.518 5.044 4.527 -0.000 0.000 0.342 100 F C -2.059 173.712 175.800 -0.049 0.000 1.121 100 F CA -2.453 55.557 58.000 0.017 0.000 0.997 100 F CB 2.297 41.377 39.000 0.133 0.000 1.130 100 F HN 0.374 nan 8.300 nan 0.000 0.454 101 P HA 0.226 nan 4.420 nan 0.000 0.276 101 P C -0.749 176.444 177.300 -0.177 0.000 1.253 101 P CA 0.243 63.204 63.100 -0.232 0.000 0.766 101 P CB 1.023 32.571 31.700 -0.253 0.000 0.845 102 I N 4.399 124.904 120.570 -0.108 0.000 2.448 102 I HA 0.218 4.388 4.170 -0.000 0.000 0.281 102 I C -0.230 175.829 176.117 -0.096 0.000 1.027 102 I CA -0.664 60.601 61.300 -0.058 0.000 1.111 102 I CB 1.341 39.322 38.000 -0.033 0.000 1.236 102 I HN 0.224 nan 8.210 nan 0.000 0.452 103 C N 7.365 126.602 119.300 -0.105 0.000 2.223 103 C HA 0.474 4.934 4.460 -0.000 0.000 0.324 103 C C 0.456 175.360 174.990 -0.145 0.000 1.196 103 C CA -0.741 58.195 59.018 -0.137 0.000 1.628 103 C CB -0.369 27.270 27.740 -0.169 0.000 2.229 103 C HN 0.541 nan 8.230 nan 0.000 0.486 104 L N 3.495 124.645 121.223 -0.122 0.000 2.349 104 L HA 0.355 4.695 4.340 -0.000 0.000 0.275 104 L C 0.836 177.632 176.870 -0.122 0.000 1.115 104 L CA 0.221 54.998 54.840 -0.105 0.000 0.820 104 L CB 0.930 42.943 42.059 -0.076 0.000 1.135 104 L HN 0.737 nan 8.230 nan 0.000 0.445 105 S N 1.226 116.861 115.700 -0.108 0.000 3.315 105 S HA 0.444 4.914 4.470 -0.000 0.000 0.195 105 S C -0.380 174.193 174.600 -0.045 0.000 1.394 105 S CA -0.594 57.552 58.200 -0.091 0.000 0.983 105 S CB 0.005 63.159 63.200 -0.077 0.000 1.370 105 S HN 0.657 nan 8.310 nan 0.000 0.491 106 E N 0.988 121.160 120.200 -0.046 0.000 2.415 106 E HA 0.348 4.698 4.350 -0.000 0.000 0.302 106 E C 0.116 176.694 176.600 -0.037 0.000 0.907 106 E CA -0.255 56.127 56.400 -0.031 0.000 0.798 106 E CB 0.985 30.670 29.700 -0.026 0.000 1.315 106 E HN 0.284 nan 8.360 nan 0.000 0.396 107 S N 2.679 118.363 115.700 -0.028 0.000 2.492 107 S HA 0.169 4.639 4.470 -0.000 0.000 0.218 107 S C 0.384 174.969 174.600 -0.025 0.000 1.016 107 S CA -0.187 57.994 58.200 -0.030 0.000 0.916 107 S CB -0.096 63.090 63.200 -0.024 0.000 0.791 107 S HN 0.488 nan 8.310 nan 0.000 0.513 108 E N 2.743 122.933 120.200 -0.017 0.000 2.238 108 E HA 0.021 4.371 4.350 -0.000 0.000 0.264 108 E C 1.142 177.734 176.600 -0.013 0.000 1.136 108 E CA -0.047 56.347 56.400 -0.011 0.000 0.929 108 E CB 0.450 30.147 29.700 -0.005 0.000 1.010 108 E HN 0.646 nan 8.360 nan 0.000 0.440 109 E N 3.726 123.919 120.200 -0.012 0.000 2.164 109 E HA -0.328 4.022 4.350 -0.000 0.000 0.206 109 E C 0.923 177.520 176.600 -0.005 0.000 1.032 109 E CA 1.301 57.693 56.400 -0.012 0.000 0.832 109 E CB 0.008 29.707 29.700 -0.002 0.000 0.742 109 E HN 0.406 nan 8.360 nan 0.000 0.460 110 E N 0.764 120.965 120.200 0.002 0.000 2.338 110 E HA -0.072 4.278 4.350 -0.000 0.000 0.197 110 E C 1.696 178.298 176.600 0.002 0.000 1.007 110 E CA 0.857 57.260 56.400 0.006 0.000 0.849 110 E CB 0.048 29.753 29.700 0.009 0.000 0.774 110 E HN 0.449 nan 8.360 nan 0.000 0.506 111 K N -0.121 120.277 120.400 -0.003 0.000 2.202 111 K HA 0.164 4.484 4.320 -0.000 0.000 0.201 111 K C 2.251 178.846 176.600 -0.010 0.000 1.051 111 K CA 0.115 56.400 56.287 -0.004 0.000 0.977 111 K CB 0.202 32.699 32.500 -0.005 0.000 0.792 111 K HN 0.019 nan 8.250 nan 0.000 0.469 112 I N 1.584 122.143 120.570 -0.018 0.000 2.127 112 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 112 I C 2.217 178.321 176.117 -0.022 0.000 1.075 112 I CA 1.555 62.837 61.300 -0.029 0.000 1.334 112 I CB -0.362 37.611 38.000 -0.045 0.000 1.040 112 I HN 0.121 nan 8.210 nan 0.000 0.405 113 I N 0.669 121.230 120.570 -0.014 0.000 2.208 113 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 113 I C 2.739 178.858 176.117 0.003 0.000 1.097 113 I CA 1.925 63.222 61.300 -0.004 0.000 1.363 113 I CB -0.516 37.487 38.000 0.005 0.000 1.051 113 I HN 0.344 nan 8.210 nan 0.000 0.413 114 S N 0.646 116.349 115.700 0.004 0.000 2.453 114 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 114 S C 1.887 176.493 174.600 0.010 0.000 1.005 114 S CA 0.590 58.796 58.200 0.009 0.000 0.949 114 S CB -0.501 62.704 63.200 0.009 0.000 0.774 114 S HN 0.428 nan 8.310 nan 0.000 0.510 115 I N 1.010 121.583 120.570 0.005 0.000 2.339 115 I HA -0.045 4.125 4.170 -0.000 0.000 0.245 115 I C 2.381 178.507 176.117 0.016 0.000 1.096 115 I CA 0.707 62.012 61.300 0.008 0.000 1.408 115 I CB -0.342 37.658 38.000 -0.001 0.000 1.092 115 I HN 0.177 nan 8.210 nan 0.000 0.423 116 V N 1.057 120.973 119.914 0.004 0.000 2.407 116 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 116 V C 2.348 178.460 176.094 0.031 0.000 1.055 116 V CA 1.767 64.071 62.300 0.007 0.000 1.049 116 V CB -0.786 31.025 31.823 -0.021 0.000 0.662 116 V HN 0.370 nan 8.190 nan 0.000 0.455 117 K N 0.879 121.296 120.400 0.028 0.000 2.211 117 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 117 K C 2.260 178.886 176.600 0.044 0.000 1.047 117 K CA 1.654 57.963 56.287 0.037 0.000 0.935 117 K CB -0.275 32.243 32.500 0.029 0.000 0.728 117 K HN 0.667 nan 8.250 nan 0.000 0.452 118 S N 0.425 116.149 115.700 0.040 0.000 2.522 118 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 118 S C 1.700 176.333 174.600 0.055 0.000 0.986 118 S CA 0.414 58.637 58.200 0.039 0.000 0.929 118 S CB -0.189 63.028 63.200 0.029 0.000 0.769 118 S HN 0.192 nan 8.310 nan 0.000 0.529 119 L N 0.839 122.118 121.223 0.094 0.000 2.509 119 L HA 0.180 4.520 4.340 -0.000 0.000 0.222 119 L C 2.640 179.618 176.870 0.180 0.000 1.123 119 L CA 0.553 55.495 54.840 0.170 0.000 0.856 119 L CB -0.506 41.726 42.059 0.288 0.000 0.985 119 L HN 0.377 nan 8.230 nan 0.000 0.456 120 E N 1.231 121.507 120.200 0.127 0.000 2.136 120 E HA -0.271 4.079 4.350 -0.000 0.000 0.208 120 E C -0.669 175.954 176.600 0.039 0.000 1.035 120 E CA 2.049 58.514 56.400 0.107 0.000 0.838 120 E CB -0.615 29.129 29.700 0.074 0.000 0.748 120 E HN 0.343 nan 8.360 nan 0.000 0.459 121 P HA -0.088 nan 4.420 nan 0.000 0.221 121 P C 0.845 178.036 177.300 -0.182 0.000 1.145 121 P CA 1.344 64.394 63.100 -0.083 0.000 0.795 121 P CB 0.150 31.809 31.700 -0.069 0.000 0.775 122 S N -2.176 113.365 115.700 -0.266 0.000 2.470 122 S HA 0.153 4.623 4.470 -0.000 0.000 0.222 122 S C 0.449 174.544 174.600 -0.842 0.000 1.024 122 S CA 0.485 58.319 58.200 -0.611 0.000 0.931 122 S CB -0.244 62.433 63.200 -0.871 0.000 0.791 122 S HN 0.027 nan 8.310 nan 0.000 0.513 123 F N -0.211 119.688 119.950 -0.085 0.000 2.598 123 F HA 0.668 5.195 4.527 -0.000 0.000 0.327 123 F C 1.316 177.091 175.800 -0.042 0.000 1.057 123 F CA -1.084 56.869 58.000 -0.078 0.000 0.957 123 F CB 1.054 40.020 39.000 -0.058 0.000 1.278 123 F HN -0.034 nan 8.300 nan 0.000 0.484 124 G N -0.470 108.444 108.800 0.191 0.000 3.020 124 G HA2 0.482 4.442 3.960 -0.000 0.000 0.217 124 G HA3 0.482 4.442 3.960 -0.000 0.000 0.217 124 G C 0.112 175.129 174.900 0.195 0.000 1.144 124 G CA 0.249 45.487 45.100 0.230 0.000 0.760 124 G HN 0.990 nan 8.290 nan 0.000 0.548 125 G N -0.232 108.653 108.800 0.142 0.000 2.703 125 G HA2 0.483 4.443 3.960 -0.000 0.000 0.294 125 G HA3 0.483 4.443 3.960 -0.000 0.000 0.294 125 G C -1.730 173.162 174.900 -0.013 0.000 1.451 125 G CA -0.599 44.544 45.100 0.071 0.000 0.869 125 G HN -0.013 nan 8.290 nan 0.000 0.516 126 I N 0.762 121.325 120.570 -0.013 0.000 2.530 126 I HA 0.464 4.634 4.170 -0.000 0.000 0.297 126 I C -0.373 175.732 176.117 -0.020 0.000 1.011 126 I CA -1.075 60.172 61.300 -0.087 0.000 1.107 126 I CB 1.951 39.918 38.000 -0.054 0.000 1.285 126 I HN 0.661 nan 8.210 nan 0.000 0.436 127 N N 6.097 124.754 118.700 -0.072 0.000 2.664 127 N HA 0.377 5.117 4.740 -0.000 0.000 0.257 127 N C -1.198 174.284 175.510 -0.047 0.000 1.108 127 N CA -0.475 52.602 53.050 0.045 0.000 0.822 127 N CB 0.932 39.465 38.487 0.078 0.000 1.199 127 N HN 0.462 nan 8.380 nan 0.000 0.529 128 L N 2.112 123.280 121.223 -0.092 0.000 2.534 128 L HA 0.112 4.452 4.340 -0.000 0.000 0.271 128 L C 0.394 177.052 176.870 -0.354 0.000 1.178 128 L CA 0.502 55.171 54.840 -0.285 0.000 0.907 128 L CB 0.348 42.155 42.059 -0.421 0.000 1.164 128 L HN 0.542 nan 8.230 nan 0.000 0.482 129 E N 1.724 121.750 120.200 -0.289 0.000 2.277 129 E HA 0.250 4.600 4.350 -0.000 0.000 0.266 129 E C -0.862 175.634 176.600 -0.173 0.000 0.901 129 E CA -0.683 55.612 56.400 -0.175 0.000 0.782 129 E CB 1.353 30.991 29.700 -0.103 0.000 1.228 129 E HN 0.443 nan 8.360 nan 0.000 0.424 130 D N 1.387 121.755 120.400 -0.053 0.000 2.740 130 D HA -0.197 4.443 4.640 -0.000 0.000 0.231 130 D C -0.892 175.353 176.300 -0.091 0.000 1.194 130 D CA 0.941 54.915 54.000 -0.043 0.000 0.673 130 D CB -0.976 39.794 40.800 -0.050 0.000 0.995 130 D HN 0.327 nan 8.370 nan 0.000 0.411 131 I N 0.305 120.807 120.570 -0.115 0.000 2.418 131 I HA 0.381 4.551 4.170 -0.000 0.000 0.287 131 I C 1.484 177.541 176.117 -0.100 0.000 1.008 131 I CA -0.940 60.272 61.300 -0.146 0.000 1.104 131 I CB 1.791 39.640 38.000 -0.251 0.000 1.264 131 I HN 0.158 nan 8.210 nan 0.000 0.438 132 G N 4.219 112.957 108.800 -0.104 0.000 2.690 132 G HA2 0.424 4.383 3.960 -0.000 0.000 0.239 132 G HA3 0.424 4.383 3.960 -0.000 0.000 0.239 132 G C -0.135 174.648 174.900 -0.195 0.000 1.233 132 G CA -0.165 44.865 45.100 -0.118 0.000 0.847 132 G HN 0.742 nan 8.290 nan 0.000 0.588 133 A N 1.156 123.840 122.820 -0.226 0.000 2.294 133 A HA 0.774 5.094 4.320 -0.000 0.000 0.330 133 A C -0.942 176.556 177.584 -0.143 0.000 1.133 133 A CA -1.220 50.607 52.037 -0.350 0.000 0.836 133 A CB 1.368 20.120 19.000 -0.413 0.000 1.190 133 A HN 0.582 nan 8.150 nan 0.000 0.492 134 P HA 0.063 nan 4.420 nan 0.000 0.262 134 P C 0.567 177.815 177.300 -0.087 0.000 1.304 134 P CA 0.161 63.217 63.100 -0.074 0.000 0.859 134 P CB 0.179 32.036 31.700 0.262 0.000 1.310 135 K N 0.393 120.733 120.400 -0.101 0.000 2.211 135 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 135 K C 1.930 178.456 176.600 -0.123 0.000 1.050 135 K CA 1.454 57.707 56.287 -0.056 0.000 0.945 135 K CB -1.265 31.209 32.500 -0.044 0.000 0.732 135 K HN 0.226 nan 8.250 nan 0.000 0.451 136 C N -0.157 118.976 119.300 -0.277 0.000 2.419 136 C HA 0.074 4.534 4.460 -0.000 0.000 0.283 136 C C 2.059 176.917 174.990 -0.219 0.000 1.373 136 C CA -0.380 58.482 59.018 -0.260 0.000 1.781 136 C CB -1.369 26.215 27.740 -0.260 0.000 1.886 136 C HN 0.320 nan 8.230 nan 0.000 0.520 137 F N 1.513 121.367 119.950 -0.160 0.000 2.128 137 F HA 0.124 4.651 4.527 -0.000 0.000 0.295 137 F C 2.917 178.671 175.800 -0.077 0.000 1.100 137 F CA 1.687 59.554 58.000 -0.222 0.000 1.260 137 F CB -0.902 37.745 39.000 -0.589 0.000 1.009 137 F HN 0.100 nan 8.300 nan 0.000 0.476 138 R N 0.569 121.170 120.500 0.170 0.000 2.115 138 R HA -0.082 4.257 4.340 -0.000 0.000 0.230 138 R C 2.158 178.504 176.300 0.077 0.000 1.111 138 R CA 1.164 57.344 56.100 0.134 0.000 0.976 138 R CB -0.366 30.009 30.300 0.125 0.000 0.870 138 R HN 0.276 nan 8.270 nan 0.000 0.445 139 I N 0.538 121.131 120.570 0.038 0.000 2.202 139 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 139 I C 2.229 178.359 176.117 0.022 0.000 1.091 139 I CA 0.660 61.965 61.300 0.009 0.000 1.368 139 I CB -0.273 37.704 38.000 -0.039 0.000 1.058 139 I HN 0.244 nan 8.210 nan 0.000 0.410 140 L N 0.759 122.006 121.223 0.040 0.000 2.046 140 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 140 L C 2.483 179.403 176.870 0.083 0.000 1.077 140 L CA 1.870 56.750 54.840 0.067 0.000 0.747 140 L CB -0.923 41.205 42.059 0.114 0.000 0.896 140 L HN 0.272 nan 8.230 nan 0.000 0.432 141 Q N -0.775 119.084 119.800 0.098 0.000 1.948 141 Q HA -0.236 4.104 4.340 -0.000 0.000 0.205 141 Q C 2.343 178.388 176.000 0.075 0.000 0.992 141 Q CA 1.752 57.613 55.803 0.096 0.000 0.849 141 Q CB -0.170 28.633 28.738 0.109 0.000 0.918 141 Q HN 0.412 nan 8.270 nan 0.000 0.421 142 R N 0.237 120.776 120.500 0.066 0.000 2.112 142 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 142 R C 2.457 178.785 176.300 0.048 0.000 1.137 142 R CA 1.551 57.682 56.100 0.052 0.000 0.944 142 R CB -1.141 29.186 30.300 0.043 0.000 0.857 142 R HN 0.412 nan 8.270 nan 0.000 0.435 143 L N 0.942 122.191 121.223 0.044 0.000 2.012 143 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 143 L C 2.678 179.581 176.870 0.056 0.000 1.073 143 L CA 1.888 56.753 54.840 0.042 0.000 0.748 143 L CB -0.666 41.410 42.059 0.028 0.000 0.891 143 L HN 0.307 nan 8.230 nan 0.000 0.431 144 S N -0.845 114.895 115.700 0.068 0.000 2.400 144 S HA -0.210 4.260 4.470 -0.000 0.000 0.232 144 S C 1.665 176.307 174.600 0.070 0.000 1.025 144 S CA 1.323 59.571 58.200 0.080 0.000 0.993 144 S CB -0.340 62.917 63.200 0.095 0.000 0.808 144 S HN 0.498 nan 8.310 nan 0.000 0.478 145 E N 1.291 121.528 120.200 0.062 0.000 2.051 145 E HA -0.021 4.329 4.350 -0.000 0.000 0.189 145 E C 2.130 178.759 176.600 0.049 0.000 0.979 145 E CA 1.065 57.497 56.400 0.054 0.000 0.803 145 E CB -0.116 29.614 29.700 0.050 0.000 0.761 145 E HN 0.651 nan 8.360 nan 0.000 0.451 146 E N -0.102 120.126 120.200 0.047 0.000 2.427 146 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 146 E C 0.238 176.866 176.600 0.047 0.000 1.028 146 E CA 0.383 56.808 56.400 0.043 0.000 0.864 146 E CB 0.251 29.974 29.700 0.037 0.000 0.813 146 E HN 0.192 nan 8.360 nan 0.000 0.514 147 M N -0.480 119.153 119.600 0.054 0.000 2.578 147 M HA 0.240 4.720 4.480 -0.000 0.000 0.321 147 M C 0.471 176.813 176.300 0.070 0.000 1.182 147 M CA -0.213 55.124 55.300 0.062 0.000 0.965 147 M CB 1.575 34.214 32.600 0.065 0.000 1.694 147 M HN -0.149 nan 8.290 nan 0.000 0.461 148 N N 0.705 119.452 118.700 0.078 0.000 2.424 148 N HA 0.126 4.866 4.740 -0.000 0.000 0.178 148 N C 0.117 175.691 175.510 0.105 0.000 1.060 148 N CA 0.075 53.177 53.050 0.086 0.000 0.901 148 N CB 0.292 38.834 38.487 0.091 0.000 0.979 148 N HN 0.498 nan 8.380 nan 0.000 0.451 149 I N -0.954 119.686 120.570 0.118 0.000 2.797 149 I HA 0.465 4.635 4.170 -0.000 0.000 0.310 149 I C -2.445 173.740 176.117 0.113 0.000 0.990 149 I CA -2.456 58.926 61.300 0.136 0.000 1.228 149 I CB 0.727 38.822 38.000 0.158 0.000 1.406 149 I HN -0.266 nan 8.210 nan 0.000 0.534 150 P HA 0.136 nan 4.420 nan 0.000 0.271 150 P C -0.766 176.611 177.300 0.128 0.000 1.216 150 P CA -0.056 63.115 63.100 0.117 0.000 0.771 150 P CB 1.471 33.239 31.700 0.112 0.000 0.864 151 V N 4.736 124.739 119.914 0.150 0.000 2.495 151 V HA 0.495 4.615 4.120 -0.000 0.000 0.298 151 V C -0.283 175.970 176.094 0.267 0.000 1.031 151 V CA -0.428 61.967 62.300 0.158 0.000 0.871 151 V CB 1.222 33.108 31.823 0.106 0.000 0.988 151 V HN 0.514 nan 8.190 nan 0.000 0.432 152 F N 3.287 123.286 119.950 0.082 0.000 2.603 152 F HA 0.651 5.178 4.527 -0.000 0.000 0.317 152 F C -0.605 175.285 175.800 0.150 0.000 1.066 152 F CA -0.600 57.477 58.000 0.127 0.000 0.941 152 F CB 2.092 41.181 39.000 0.147 0.000 1.291 152 F HN 0.625 nan 8.300 nan 0.000 0.472 153 H N 4.549 123.255 119.070 -0.606 0.000 3.172 153 H HA 0.197 4.753 4.556 -0.000 0.000 0.322 153 H C -0.047 174.884 175.328 -0.662 0.000 1.003 153 H CA -0.694 55.099 56.048 -0.426 0.000 1.466 153 H CB 1.020 30.631 29.762 -0.253 0.000 1.673 153 H HN 0.770 nan 8.280 nan 0.000 0.512 154 D N 3.403 123.699 120.400 -0.173 0.000 2.156 154 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 154 D C 0.500 176.653 176.300 -0.246 0.000 0.998 154 D CA 2.291 56.209 54.000 -0.137 0.000 0.842 154 D CB 0.179 41.032 40.800 0.089 0.000 0.974 154 D HN 0.776 nan 8.370 nan 0.000 0.447 155 D N -0.077 120.186 120.400 -0.228 0.000 2.371 155 D HA -0.049 4.591 4.640 -0.000 0.000 0.234 155 D C 1.617 177.638 176.300 -0.465 0.000 1.049 155 D CA 0.391 54.229 54.000 -0.271 0.000 0.907 155 D CB 0.090 40.803 40.800 -0.144 0.000 0.891 155 D HN 0.354 nan 8.370 nan 0.000 0.531 156 Q N 0.154 119.536 119.800 -0.697 0.000 2.363 156 Q HA 0.062 4.402 4.340 -0.000 0.000 0.192 156 Q C 1.956 177.776 176.000 -0.299 0.000 0.994 156 Q CA 0.173 55.711 55.803 -0.442 0.000 0.848 156 Q CB -0.066 28.393 28.738 -0.465 0.000 0.987 156 Q HN 0.179 nan 8.270 nan 0.000 0.559 157 Q N 0.542 120.126 119.800 -0.360 0.000 2.123 157 Q HA -0.051 4.289 4.340 -0.000 0.000 0.199 157 Q C 2.036 177.899 176.000 -0.228 0.000 0.966 157 Q CA 1.249 56.892 55.803 -0.266 0.000 0.845 157 Q CB -0.247 28.325 28.738 -0.276 0.000 0.907 157 Q HN 0.455 nan 8.270 nan 0.000 0.439 158 G N 0.498 109.128 108.800 -0.283 0.000 2.433 158 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 158 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 158 G C 1.419 176.299 174.900 -0.033 0.000 1.186 158 G CA 1.411 46.580 45.100 0.116 0.000 0.779 158 G HN 0.253 nan 8.290 nan 0.000 0.543 159 T N 1.801 116.283 114.554 -0.120 0.000 2.652 159 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 159 T C 2.818 177.381 174.700 -0.227 0.000 1.039 159 T CA 1.901 63.915 62.100 -0.142 0.000 1.153 159 T CB -0.558 68.225 68.868 -0.141 0.000 0.863 159 T HN 0.396 nan 8.240 nan 0.000 0.428 160 A N 0.884 123.487 122.820 -0.361 0.000 1.917 160 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 160 A C 2.597 179.731 177.584 -0.750 0.000 1.182 160 A CA 1.766 53.409 52.037 -0.656 0.000 0.633 160 A CB -1.126 17.219 19.000 -1.092 0.000 0.819 160 A HN 0.375 nan 8.150 nan 0.000 0.448 161 V N -0.375 119.203 119.914 -0.559 0.000 2.261 161 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 161 V C 2.596 178.606 176.094 -0.141 0.000 1.047 161 V CA 2.067 64.202 62.300 -0.276 0.000 1.015 161 V CB -0.960 30.835 31.823 -0.047 0.000 0.642 161 V HN 0.402 nan 8.190 nan 0.000 0.446 162 V N -0.170 119.671 119.914 -0.121 0.000 2.233 162 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 162 V C 2.431 178.473 176.094 -0.086 0.000 1.050 162 V CA 2.054 64.295 62.300 -0.098 0.000 1.010 162 V CB -0.809 30.949 31.823 -0.109 0.000 0.637 162 V HN 0.384 nan 8.190 nan 0.000 0.444 163 V N 0.258 120.111 119.914 -0.103 0.000 2.250 163 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 163 V C 2.629 178.783 176.094 0.100 0.000 1.060 163 V CA 2.605 64.890 62.300 -0.025 0.000 1.030 163 V CB -1.072 30.733 31.823 -0.029 0.000 0.643 163 V HN 0.563 nan 8.190 nan 0.000 0.445 164 S N -0.120 115.593 115.700 0.021 0.000 2.374 164 S HA -0.248 4.221 4.470 -0.000 0.000 0.227 164 S C 2.198 176.924 174.600 0.209 0.000 1.037 164 S CA 1.611 59.889 58.200 0.130 0.000 1.024 164 S CB -0.622 62.639 63.200 0.102 0.000 0.861 164 S HN 0.697 nan 8.310 nan 0.000 0.456 165 A N 1.647 124.531 122.820 0.107 0.000 1.858 165 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 165 A C 2.408 180.063 177.584 0.119 0.000 1.190 165 A CA 1.885 53.975 52.037 0.089 0.000 0.617 165 A CB -1.283 17.730 19.000 0.021 0.000 0.827 165 A HN 0.541 nan 8.150 nan 0.000 0.443 166 A N -1.078 121.804 122.820 0.104 0.000 1.908 166 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 166 A C 2.054 179.891 177.584 0.421 0.000 1.181 166 A CA 1.814 53.927 52.037 0.127 0.000 0.627 166 A CB -0.791 18.116 19.000 -0.155 0.000 0.818 166 A HN 0.755 nan 8.150 nan 0.000 0.445 167 F N 0.784 120.949 119.950 0.358 0.000 2.026 167 F HA -0.204 4.322 4.527 -0.000 0.000 0.296 167 F C 1.995 177.873 175.800 0.130 0.000 1.133 167 F CA 1.951 60.102 58.000 0.251 0.000 1.188 167 F CB -0.598 38.428 39.000 0.044 0.000 0.968 167 F HN 0.158 nan 8.300 nan 0.000 0.476 168 L N 0.358 121.615 121.223 0.057 0.000 1.997 168 L HA -0.353 3.987 4.340 -0.000 0.000 0.216 168 L C 2.381 179.206 176.870 -0.074 0.000 1.074 168 L CA 1.861 56.645 54.840 -0.092 0.000 0.763 168 L CB -1.099 40.996 42.059 0.060 0.000 0.890 168 L HN 0.276 nan 8.230 nan 0.000 0.434 169 N N 0.008 118.722 118.700 0.024 0.000 2.120 169 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 169 N C 1.842 177.377 175.510 0.043 0.000 1.024 169 N CA 1.585 54.653 53.050 0.031 0.000 0.852 169 N CB -0.277 38.235 38.487 0.041 0.000 1.003 169 N HN 0.352 nan 8.380 nan 0.000 0.424 170 A N 1.013 123.894 122.820 0.101 0.000 1.898 170 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 170 A C 2.228 179.891 177.584 0.133 0.000 1.181 170 A CA 0.835 52.956 52.037 0.140 0.000 0.620 170 A CB -0.709 18.479 19.000 0.314 0.000 0.819 170 A HN 0.223 nan 8.150 nan 0.000 0.442 171 L N 0.083 121.316 121.223 0.016 0.000 2.079 171 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 171 L C 2.268 179.149 176.870 0.018 0.000 1.081 171 L CA 2.523 57.355 54.840 -0.014 0.000 0.752 171 L CB -0.474 41.281 42.059 -0.506 0.000 0.896 171 L HN 0.467 nan 8.230 nan 0.000 0.433 172 K N -0.708 119.691 120.400 -0.002 0.000 2.057 172 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 172 K C 2.047 178.689 176.600 0.071 0.000 1.050 172 K CA 1.532 57.833 56.287 0.024 0.000 0.935 172 K CB -0.180 32.329 32.500 0.015 0.000 0.715 172 K HN 0.412 nan 8.250 nan 0.000 0.439 173 L N 0.098 121.385 121.223 0.106 0.000 2.201 173 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 173 L C 2.341 179.397 176.870 0.310 0.000 1.105 173 L CA 1.084 56.039 54.840 0.190 0.000 0.775 173 L CB -0.376 41.773 42.059 0.150 0.000 0.913 173 L HN 0.235 nan 8.230 nan 0.000 0.440 174 T N -1.135 113.573 114.554 0.256 0.000 3.067 174 T HA -0.044 4.306 4.350 -0.000 0.000 0.261 174 T C 0.862 175.596 174.700 0.056 0.000 1.110 174 T CA 0.322 62.525 62.100 0.171 0.000 1.113 174 T CB -0.021 68.927 68.868 0.133 0.000 0.917 174 T HN 0.410 nan 8.240 nan 0.000 0.499 175 E N 0.123 120.361 120.200 0.064 0.000 3.253 175 E HA -0.200 4.150 4.350 -0.000 0.000 0.284 175 E C 0.016 176.633 176.600 0.027 0.000 0.958 175 E CA 0.658 57.078 56.400 0.033 0.000 0.917 175 E CB -1.006 28.702 29.700 0.014 0.000 1.466 175 E HN 0.549 nan 8.360 nan 0.000 0.455 176 K N 0.974 121.402 120.400 0.047 0.000 2.120 176 K HA 0.301 4.621 4.320 -0.000 0.000 0.245 176 K C 0.353 176.982 176.600 0.047 0.000 1.024 176 K CA -0.250 56.068 56.287 0.052 0.000 0.906 176 K CB 0.574 33.128 32.500 0.091 0.000 1.051 176 K HN -0.065 nan 8.250 nan 0.000 0.491 177 K N 1.384 121.812 120.400 0.046 0.000 2.205 177 K HA 0.112 4.432 4.320 -0.000 0.000 0.279 177 K C 1.106 177.736 176.600 0.049 0.000 1.027 177 K CA -0.131 56.178 56.287 0.037 0.000 0.932 177 K CB 1.028 33.546 32.500 0.031 0.000 1.032 177 K HN 0.533 nan 8.250 nan 0.000 0.466 178 I N 2.537 123.129 120.570 0.038 0.000 2.179 178 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 178 I C 1.912 178.071 176.117 0.069 0.000 1.088 178 I CA 1.601 62.937 61.300 0.060 0.000 1.357 178 I CB 0.148 38.187 38.000 0.065 0.000 1.051 178 I HN 0.694 nan 8.210 nan 0.000 0.409 179 E N 0.906 121.134 120.200 0.046 0.000 2.485 179 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 179 E C 0.534 177.155 176.600 0.036 0.000 1.098 179 E CA 0.561 56.982 56.400 0.035 0.000 0.878 179 E CB -0.125 29.588 29.700 0.022 0.000 0.939 179 E HN 0.688 nan 8.360 nan 0.000 0.503 180 E N 0.387 120.617 120.200 0.049 0.000 2.676 180 E HA 0.109 4.459 4.350 -0.000 0.000 0.225 180 E C 0.364 177.008 176.600 0.073 0.000 0.944 180 E CA 0.023 56.453 56.400 0.050 0.000 1.156 180 E CB 1.458 31.183 29.700 0.042 0.000 1.117 180 E HN 0.181 nan 8.360 nan 0.000 0.523 181 V N -0.482 119.493 119.914 0.102 0.000 2.837 181 V HA 0.433 4.552 4.120 -0.000 0.000 0.310 181 V C -0.130 176.045 176.094 0.135 0.000 1.059 181 V CA -0.893 61.501 62.300 0.155 0.000 1.004 181 V CB 1.826 33.803 31.823 0.256 0.000 1.045 181 V HN -0.016 nan 8.190 nan 0.000 0.465 182 K N 2.481 122.979 120.400 0.163 0.000 2.316 182 K HA 0.646 4.966 4.320 -0.000 0.000 0.267 182 K C -1.511 175.195 176.600 0.177 0.000 1.025 182 K CA -0.542 55.821 56.287 0.127 0.000 0.896 182 K CB 1.539 34.099 32.500 0.100 0.000 1.124 182 K HN 0.718 nan 8.250 nan 0.000 0.451 183 V N 5.067 125.042 119.914 0.102 0.000 2.384 183 V HA 0.261 4.381 4.120 -0.000 0.000 0.287 183 V C -0.345 175.773 176.094 0.039 0.000 1.020 183 V CA -0.995 61.354 62.300 0.081 0.000 0.850 183 V CB 1.534 33.301 31.823 -0.094 0.000 0.987 183 V HN 0.479 nan 8.190 nan 0.000 0.436 184 V N 5.814 125.781 119.914 0.089 0.000 2.383 184 V HA 0.370 4.490 4.120 -0.000 0.000 0.275 184 V C 0.004 176.059 176.094 -0.066 0.000 1.036 184 V CA -0.494 61.851 62.300 0.075 0.000 0.889 184 V CB 1.569 33.534 31.823 0.237 0.000 0.985 184 V HN 0.610 nan 8.190 nan 0.000 0.459 185 V N 4.628 124.490 119.914 -0.086 0.000 2.313 185 V HA 0.340 4.460 4.120 -0.000 0.000 0.278 185 V C 0.035 176.062 176.094 -0.112 0.000 1.017 185 V CA -0.594 61.611 62.300 -0.157 0.000 0.823 185 V CB 1.240 32.994 31.823 -0.115 0.000 1.010 185 V HN 0.894 nan 8.190 nan 0.000 0.443 186 N N 3.440 122.022 118.700 -0.196 0.000 2.422 186 N HA 0.603 5.343 4.740 -0.000 0.000 0.266 186 N C 0.245 175.746 175.510 -0.015 0.000 1.007 186 N CA 0.986 54.016 53.050 -0.034 0.000 0.941 186 N CB 1.293 39.841 38.487 0.101 0.000 1.115 186 N HN 1.039 nan 8.380 nan 0.000 0.492 187 G N 3.620 112.440 108.800 0.033 0.000 2.858 187 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.272 187 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.272 187 G C -0.490 174.437 174.900 0.044 0.000 1.003 187 G CA -0.722 44.402 45.100 0.040 0.000 1.241 187 G HN 0.503 nan 8.290 nan 0.000 0.569 188 I N 2.391 123.002 120.570 0.069 0.000 2.330 188 I HA 0.302 4.472 4.170 -0.000 0.000 0.280 188 I C 1.427 177.636 176.117 0.153 0.000 1.069 188 I CA 0.542 61.908 61.300 0.109 0.000 1.873 188 I CB -0.753 37.317 38.000 0.118 0.000 1.476 188 I HN 0.466 nan 8.210 nan 0.000 0.813 189 G N 1.521 110.396 108.800 0.124 0.000 2.857 189 G HA2 0.522 4.481 3.960 -0.000 0.000 0.217 189 G HA3 0.522 4.481 3.960 -0.000 0.000 0.217 189 G C 1.054 176.042 174.900 0.146 0.000 1.357 189 G CA 0.200 45.365 45.100 0.108 0.000 1.033 189 G HN 0.344 nan 8.290 nan 0.000 0.571 190 A N -0.547 122.242 122.820 -0.052 0.000 1.896 190 A HA -0.010 4.310 4.320 -0.000 0.000 0.220 190 A C 2.680 180.248 177.584 -0.025 0.000 1.206 190 A CA 3.448 55.368 52.037 -0.196 0.000 0.647 190 A CB -1.092 17.716 19.000 -0.320 0.000 0.828 190 A HN 1.353 nan 8.150 nan 0.000 0.455 191 A N -1.123 121.668 122.820 -0.048 0.000 1.874 191 A HA 0.287 4.607 4.320 -0.000 0.000 0.214 191 A C 2.494 180.090 177.584 0.020 0.000 1.189 191 A CA 1.680 53.687 52.037 -0.049 0.000 0.615 191 A CB -1.516 17.439 19.000 -0.075 0.000 0.830 191 A HN 0.861 nan 8.150 nan 0.000 0.443 192 G N -0.855 107.973 108.800 0.046 0.000 2.631 192 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.219 192 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.219 192 G C 1.486 176.443 174.900 0.096 0.000 1.214 192 G CA 1.589 46.721 45.100 0.053 0.000 0.785 192 G HN 0.541 nan 8.290 nan 0.000 0.596 193 Y N 2.248 122.576 120.300 0.046 0.000 1.997 193 Y HA -0.314 4.236 4.550 -0.000 0.000 0.265 193 Y C 2.872 178.777 175.900 0.008 0.000 1.193 193 Y CA 2.639 60.743 58.100 0.007 0.000 1.106 193 Y CB -0.539 37.912 38.460 -0.015 0.000 0.940 193 Y HN 0.210 nan 8.280 nan 0.000 0.494 194 N N 0.377 119.180 118.700 0.172 0.000 2.149 194 N HA -0.213 4.527 4.740 -0.000 0.000 0.188 194 N C 2.014 177.586 175.510 0.104 0.000 1.019 194 N CA 1.936 55.059 53.050 0.121 0.000 0.857 194 N CB -0.438 38.150 38.487 0.168 0.000 0.997 194 N HN 0.488 nan 8.380 nan 0.000 0.426 195 I N 0.859 121.428 120.570 -0.002 0.000 2.264 195 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 195 I C 2.157 178.247 176.117 -0.045 0.000 1.111 195 I CA 0.835 62.104 61.300 -0.051 0.000 1.382 195 I CB -0.302 37.645 38.000 -0.089 0.000 1.060 195 I HN -0.082 nan 8.210 nan 0.000 0.418 196 V N 0.993 120.854 119.914 -0.087 0.000 2.237 196 V HA -0.294 3.826 4.120 -0.000 0.000 0.245 196 V C 2.432 178.450 176.094 -0.127 0.000 1.046 196 V CA 1.869 64.090 62.300 -0.131 0.000 1.007 196 V CB -0.708 31.019 31.823 -0.160 0.000 0.638 196 V HN 0.382 nan 8.190 nan 0.000 0.445 197 K N -0.858 119.449 120.400 -0.155 0.000 2.113 197 K HA -0.202 4.117 4.320 -0.000 0.000 0.208 197 K C 2.073 178.593 176.600 -0.134 0.000 1.047 197 K CA 1.819 58.004 56.287 -0.170 0.000 0.928 197 K CB -0.373 31.989 32.500 -0.230 0.000 0.716 197 K HN 0.361 nan 8.250 nan 0.000 0.446 198 F N 1.243 121.103 119.950 -0.150 0.000 2.113 198 F HA -0.129 4.398 4.527 -0.000 0.000 0.297 198 F C 2.155 177.867 175.800 -0.148 0.000 1.103 198 F CA 1.117 59.046 58.000 -0.118 0.000 1.248 198 F CB -0.399 38.541 39.000 -0.099 0.000 0.999 198 F HN -0.091 nan 8.300 nan 0.000 0.475 199 L N -0.510 120.693 121.223 -0.034 0.000 2.042 199 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 199 L C 2.369 179.155 176.870 -0.140 0.000 1.076 199 L CA 1.199 55.912 54.840 -0.212 0.000 0.749 199 L CB -0.826 41.019 42.059 -0.357 0.000 0.893 199 L HN 0.197 nan 8.230 nan 0.000 0.432 200 L N -0.738 120.412 121.223 -0.123 0.000 1.994 200 L HA -0.231 4.108 4.340 -0.000 0.000 0.208 200 L C 2.380 179.195 176.870 -0.093 0.000 1.071 200 L CA 1.258 56.035 54.840 -0.104 0.000 0.745 200 L CB -0.795 41.196 42.059 -0.113 0.000 0.892 200 L HN 0.279 nan 8.230 nan 0.000 0.431 201 D N 0.454 120.778 120.400 -0.126 0.000 2.106 201 D HA -0.209 4.431 4.640 -0.000 0.000 0.191 201 D C 2.387 178.644 176.300 -0.071 0.000 0.997 201 D CA 1.360 55.282 54.000 -0.130 0.000 0.834 201 D CB -0.397 40.262 40.800 -0.234 0.000 0.956 201 D HN 0.245 nan 8.370 nan 0.000 0.448 202 L N -0.606 120.594 121.223 -0.039 0.000 2.081 202 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 202 L C 1.871 178.758 176.870 0.028 0.000 1.080 202 L CA 1.645 56.500 54.840 0.025 0.000 0.754 202 L CB -0.302 41.810 42.059 0.089 0.000 0.893 202 L HN 0.323 nan 8.230 nan 0.000 0.433 203 G N -2.020 106.785 108.800 0.008 0.000 2.559 203 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.202 203 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.202 203 G C -0.035 174.876 174.900 0.018 0.000 0.992 203 G CA -0.273 44.835 45.100 0.014 0.000 0.764 203 G HN 0.000 nan 8.290 nan 0.000 0.525 204 V N 2.049 121.965 119.914 0.003 0.000 2.637 204 V HA 0.316 4.436 4.120 -0.000 0.000 0.296 204 V C 1.303 177.383 176.094 -0.024 0.000 1.046 204 V CA 0.215 62.513 62.300 -0.003 0.000 1.066 204 V CB 1.558 33.331 31.823 -0.083 0.000 0.968 204 V HN 0.178 nan 8.190 nan 0.000 0.483 205 K N 2.886 123.283 120.400 -0.006 0.000 2.190 205 K HA 0.102 4.421 4.320 -0.000 0.000 0.202 205 K C 0.806 177.398 176.600 -0.014 0.000 1.045 205 K CA 0.468 56.748 56.287 -0.011 0.000 0.976 205 K CB -0.030 32.471 32.500 0.001 0.000 0.849 205 K HN 0.563 nan 8.250 nan 0.000 0.468 206 N N 1.623 120.323 118.700 -0.000 0.000 2.918 206 N HA 0.099 4.839 4.740 -0.000 0.000 0.247 206 N C -1.475 174.032 175.510 -0.005 0.000 1.117 206 N CA -0.073 52.979 53.050 0.003 0.000 1.005 206 N CB 0.259 38.758 38.487 0.020 0.000 1.297 206 N HN -0.253 nan 8.380 nan 0.000 0.513 207 V N 2.582 122.480 119.914 -0.028 0.000 2.427 207 V HA 0.403 4.523 4.120 -0.000 0.000 0.286 207 V C -0.060 176.018 176.094 -0.026 0.000 1.034 207 V CA -0.850 61.424 62.300 -0.044 0.000 0.893 207 V CB 1.646 33.419 31.823 -0.084 0.000 0.982 207 V HN 0.157 nan 8.190 nan 0.000 0.452 208 V N 4.326 124.234 119.914 -0.011 0.000 2.326 208 V HA 0.635 4.755 4.120 -0.000 0.000 0.281 208 V C 0.507 176.603 176.094 0.003 0.000 1.015 208 V CA -0.628 61.673 62.300 0.003 0.000 0.823 208 V CB 1.395 33.233 31.823 0.025 0.000 1.009 208 V HN 0.976 nan 8.190 nan 0.000 0.436 209 A N 5.187 128.006 122.820 -0.002 0.000 2.366 209 A HA 0.743 5.063 4.320 -0.000 0.000 0.272 209 A C -0.381 177.219 177.584 0.027 0.000 1.135 209 A CA -0.242 51.798 52.037 0.004 0.000 0.804 209 A CB 0.681 19.683 19.000 0.004 0.000 1.064 209 A HN 0.721 nan 8.150 nan 0.000 0.499 210 V N 3.674 123.612 119.914 0.039 0.000 2.577 210 V HA 0.453 4.573 4.120 -0.000 0.000 0.303 210 V C -0.237 175.897 176.094 0.068 0.000 1.042 210 V CA -0.618 61.719 62.300 0.061 0.000 0.872 210 V CB 1.656 33.536 31.823 0.096 0.000 0.998 210 V HN 1.087 nan 8.190 nan 0.000 0.423 211 D N 2.416 122.856 120.400 0.066 0.000 2.846 211 D HA 0.369 5.009 4.640 -0.000 0.000 0.273 211 D C 0.776 177.117 176.300 0.069 0.000 1.145 211 D CA -0.682 53.360 54.000 0.070 0.000 1.091 211 D CB 1.751 42.592 40.800 0.068 0.000 1.364 211 D HN 0.212 nan 8.370 nan 0.000 0.613 212 R N 0.187 120.725 120.500 0.064 0.000 2.154 212 R HA -0.107 4.233 4.340 -0.000 0.000 0.248 212 R C 0.959 177.289 176.300 0.050 0.000 1.155 212 R CA 1.172 57.307 56.100 0.059 0.000 0.979 212 R CB -0.253 30.078 30.300 0.052 0.000 0.869 212 R HN 0.252 nan 8.270 nan 0.000 0.452 213 K N 0.048 120.476 120.400 0.046 0.000 2.440 213 K HA 0.264 4.584 4.320 -0.000 0.000 0.206 213 K C 0.826 177.445 176.600 0.031 0.000 1.025 213 K CA 0.496 56.804 56.287 0.036 0.000 1.135 213 K CB 0.551 33.071 32.500 0.032 0.000 0.856 213 K HN 0.301 nan 8.250 nan 0.000 0.502 214 G N 1.598 110.420 108.800 0.037 0.000 2.615 214 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 214 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 214 G C -0.280 174.638 174.900 0.030 0.000 1.339 214 G CA -0.797 44.320 45.100 0.028 0.000 0.884 214 G HN 0.183 nan 8.290 nan 0.000 0.559 215 I N 0.465 121.047 120.570 0.020 0.000 2.821 215 I HA 0.025 4.195 4.170 -0.000 0.000 0.294 215 I C 0.708 176.837 176.117 0.019 0.000 1.210 215 I CA -0.168 61.144 61.300 0.020 0.000 1.430 215 I CB 0.140 38.145 38.000 0.009 0.000 1.356 215 I HN 0.343 nan 8.210 nan 0.000 0.563 216 L N 8.044 129.281 121.223 0.023 0.000 2.369 216 L HA 0.193 4.533 4.340 -0.000 0.000 0.279 216 L C 0.321 177.199 176.870 0.013 0.000 1.108 216 L CA 0.696 55.550 54.840 0.023 0.000 0.852 216 L CB -0.359 41.718 42.059 0.030 0.000 1.169 216 L HN 0.546 nan 8.230 nan 0.000 0.452 217 N N 2.432 121.138 118.700 0.011 0.000 2.371 217 N HA 0.101 4.841 4.740 -0.000 0.000 0.291 217 N C 0.662 176.174 175.510 0.004 0.000 1.053 217 N CA -0.370 52.682 53.050 0.005 0.000 0.870 217 N CB 1.760 40.248 38.487 0.002 0.000 1.503 217 N HN 0.500 nan 8.380 nan 0.000 0.485 218 E N 3.100 123.300 120.200 0.000 0.000 2.065 218 E HA -0.236 4.114 4.350 -0.000 0.000 0.201 218 E C 0.829 177.427 176.600 -0.002 0.000 1.016 218 E CA 1.741 58.140 56.400 -0.002 0.000 0.818 218 E CB 0.000 29.697 29.700 -0.006 0.000 0.749 218 E HN 0.708 nan 8.360 nan 0.000 0.453 219 N N 0.666 119.365 118.700 -0.003 0.000 2.037 219 N HA -0.139 4.601 4.740 -0.000 0.000 0.196 219 N C 0.070 175.580 175.510 -0.001 0.000 1.034 219 N CA 1.062 54.110 53.050 -0.003 0.000 0.861 219 N CB -0.094 38.391 38.487 -0.003 0.000 1.039 219 N HN 0.123 nan 8.380 nan 0.000 0.427 220 D N 1.538 121.938 120.400 0.001 0.000 2.483 220 D HA 0.051 4.691 4.640 -0.000 0.000 0.220 220 D C -1.535 174.768 176.300 0.005 0.000 1.173 220 D CA -1.212 52.790 54.000 0.003 0.000 0.964 220 D CB 0.739 41.541 40.800 0.004 0.000 1.046 220 D HN 0.338 nan 8.370 nan 0.000 0.517 221 P HA -0.150 nan 4.420 nan 0.000 0.226 221 P C 1.038 178.344 177.300 0.010 0.000 1.146 221 P CA 0.703 63.806 63.100 0.005 0.000 0.773 221 P CB 0.691 32.393 31.700 0.002 0.000 0.772 222 E N 0.312 120.518 120.200 0.010 0.000 2.085 222 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 222 E C 2.041 178.653 176.600 0.020 0.000 0.994 222 E CA 2.168 58.576 56.400 0.014 0.000 0.801 222 E CB -1.304 28.403 29.700 0.012 0.000 0.743 222 E HN 0.458 nan 8.360 nan 0.000 0.453 223 T N -1.674 112.892 114.554 0.020 0.000 2.995 223 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 223 T C 1.537 176.257 174.700 0.034 0.000 1.091 223 T CA 0.330 62.446 62.100 0.027 0.000 1.128 223 T CB -0.447 68.436 68.868 0.024 0.000 0.891 223 T HN -0.003 nan 8.240 nan 0.000 0.492 224 C N 3.106 122.423 119.300 0.027 0.000 2.615 224 C HA 0.499 4.959 4.460 -0.000 0.000 0.503 224 C C 1.935 176.944 174.990 0.032 0.000 1.039 224 C CA -1.308 57.728 59.018 0.030 0.000 1.226 224 C CB -2.361 25.389 27.740 0.015 0.000 1.447 224 C HN 0.536 nan 8.230 nan 0.000 0.572 225 L N 2.097 123.349 121.223 0.047 0.000 1.892 225 L HA -0.127 4.213 4.340 -0.000 0.000 0.233 225 L C 1.442 178.341 176.870 0.048 0.000 1.090 225 L CA 1.494 56.364 54.840 0.050 0.000 0.821 225 L CB -0.677 41.421 42.059 0.065 0.000 0.896 225 L HN 0.658 nan 8.230 nan 0.000 0.428 226 N N -0.234 118.511 118.700 0.076 0.000 2.418 226 N HA 0.012 4.752 4.740 -0.000 0.000 0.283 226 N C 0.278 175.792 175.510 0.006 0.000 1.267 226 N CA -0.439 52.648 53.050 0.063 0.000 0.975 226 N CB -0.064 38.506 38.487 0.139 0.000 1.167 226 N HN 0.349 nan 8.380 nan 0.000 0.581 227 E N -1.681 118.443 120.200 -0.127 0.000 2.495 227 E HA -0.119 4.231 4.350 -0.000 0.000 0.204 227 E C -0.697 175.638 176.600 -0.442 0.000 1.163 227 E CA 0.497 56.709 56.400 -0.315 0.000 0.922 227 E CB -0.589 28.825 29.700 -0.475 0.000 0.918 227 E HN 0.540 nan 8.360 nan 0.000 0.537 232 I N 2.245 122.854 120.570 0.066 0.000 2.454 232 I HA -0.098 4.072 4.170 -0.000 0.000 0.254 232 I C 2.494 178.607 176.117 -0.005 0.000 1.156 232 I CA 1.625 62.927 61.300 0.004 0.000 1.433 232 I CB -1.291 36.725 38.000 0.026 0.000 1.082 232 I HN 0.231 nan 8.210 nan 0.000 0.432 233 A N 0.687 123.514 122.820 0.012 0.000 2.014 233 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 233 A C 2.410 179.990 177.584 -0.008 0.000 1.163 233 A CA 0.916 52.955 52.037 0.003 0.000 0.652 233 A CB -0.417 18.589 19.000 0.010 0.000 0.808 233 A HN 0.324 nan 8.150 nan 0.000 0.449 234 R N -0.418 120.075 120.500 -0.011 0.000 2.240 234 R HA 0.142 4.481 4.340 -0.000 0.000 0.203 234 R C 1.455 177.740 176.300 -0.025 0.000 1.011 234 R CA 1.192 57.281 56.100 -0.017 0.000 1.007 234 R CB -0.176 30.113 30.300 -0.018 0.000 0.911 234 R HN 0.800 nan 8.270 nan 0.000 0.468 235 I N -2.644 117.906 120.570 -0.034 0.000 4.082 235 I HA 0.257 4.427 4.170 -0.000 0.000 0.337 235 I C 0.183 176.271 176.117 -0.049 0.000 1.352 235 I CA -0.343 60.929 61.300 -0.046 0.000 1.097 235 I CB 0.616 38.577 38.000 -0.065 0.000 1.048 235 I HN -0.138 nan 8.210 nan 0.000 0.393 236 T N -2.572 111.959 114.554 -0.039 0.000 2.742 236 T HA 0.421 4.770 4.350 -0.000 0.000 0.282 236 T C 0.125 174.811 174.700 -0.023 0.000 1.025 236 T CA -0.611 61.467 62.100 -0.037 0.000 1.020 236 T CB 1.179 70.022 68.868 -0.041 0.000 1.317 236 T HN 0.158 nan 8.240 nan 0.000 0.538 237 N N 1.714 120.403 118.700 -0.018 0.000 2.641 237 N HA -0.095 4.645 4.740 -0.000 0.000 0.267 237 N C -1.402 174.103 175.510 -0.009 0.000 1.087 237 N CA 0.651 53.695 53.050 -0.009 0.000 0.731 237 N CB -0.516 37.967 38.487 -0.006 0.000 0.886 237 N HN 0.578 nan 8.380 nan 0.000 0.547 238 P HA -0.124 nan 4.420 nan 0.000 0.217 238 P C 0.329 177.626 177.300 -0.004 0.000 1.151 238 P CA 1.131 64.226 63.100 -0.008 0.000 0.828 238 P CB 0.108 31.803 31.700 -0.007 0.000 0.788 239 E N 0.373 120.572 120.200 -0.002 0.000 2.461 239 E HA -0.012 4.338 4.350 -0.000 0.000 0.196 239 E C 0.188 176.787 176.600 -0.003 0.000 1.129 239 E CA -0.161 56.238 56.400 -0.001 0.000 0.902 239 E CB -0.546 29.156 29.700 0.002 0.000 0.963 239 E HN 0.184 nan 8.360 nan 0.000 0.503 240 R N 0.197 120.694 120.500 -0.004 0.000 3.591 240 R HA -0.227 4.112 4.340 -0.000 0.000 0.268 240 R C 0.118 176.415 176.300 -0.005 0.000 1.102 240 R CA 0.407 56.504 56.100 -0.005 0.000 0.732 240 R CB -2.497 27.799 30.300 -0.005 0.000 1.117 240 R HN 0.299 nan 8.270 nan 0.000 0.472 241 L N -0.064 121.157 121.223 -0.004 0.000 2.453 241 L HA 0.109 4.449 4.340 -0.000 0.000 0.274 241 L C 1.030 177.896 176.870 -0.006 0.000 1.270 241 L CA 0.649 55.485 54.840 -0.006 0.000 0.822 241 L CB 0.215 42.272 42.059 -0.003 0.000 1.091 241 L HN 0.185 nan 8.230 nan 0.000 0.546 242 S N -1.267 114.427 115.700 -0.011 0.000 2.558 242 S HA 0.725 5.195 4.470 -0.000 0.000 0.277 242 S C -0.582 174.006 174.600 -0.020 0.000 1.143 242 S CA 0.125 58.318 58.200 -0.011 0.000 0.865 242 S CB 1.541 64.736 63.200 -0.010 0.000 1.102 242 S HN 1.276 nan 8.310 nan 0.000 0.454 243 G N 3.219 112.008 108.800 -0.020 0.000 2.270 243 G HA2 0.172 4.132 3.960 -0.000 0.000 0.268 243 G HA3 0.172 4.132 3.960 -0.000 0.000 0.268 243 G C -1.554 173.326 174.900 -0.034 0.000 1.312 243 G CA 0.071 45.151 45.100 -0.033 0.000 1.050 243 G HN 0.967 nan 8.290 nan 0.000 0.474 244 D N -0.593 119.770 120.400 -0.062 0.000 2.539 244 D HA 0.481 5.121 4.640 -0.000 0.000 0.276 244 D C 1.795 178.045 176.300 -0.084 0.000 1.206 244 D CA -0.336 53.626 54.000 -0.064 0.000 1.081 244 D CB 1.224 41.971 40.800 -0.088 0.000 1.142 244 D HN 0.641 nan 8.370 nan 0.000 0.595 245 L N 0.340 121.523 121.223 -0.067 0.000 1.990 245 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 245 L C 2.380 179.135 176.870 -0.191 0.000 1.072 245 L CA 2.150 56.972 54.840 -0.029 0.000 0.755 245 L CB -1.090 41.033 42.059 0.106 0.000 0.889 245 L HN 0.698 nan 8.230 nan 0.000 0.432 246 E N -1.586 118.280 120.200 -0.556 0.000 2.160 246 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 246 E C 1.807 178.166 176.600 -0.402 0.000 0.991 246 E CA 1.696 57.593 56.400 -0.839 0.000 0.810 246 E CB -0.019 28.839 29.700 -1.404 0.000 0.742 246 E HN 0.619 nan 8.360 nan 0.000 0.466 247 T N 0.131 114.525 114.554 -0.267 0.000 2.777 247 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 247 T C 1.801 176.449 174.700 -0.087 0.000 1.040 247 T CA 1.161 63.170 62.100 -0.152 0.000 1.141 247 T CB -0.182 68.621 68.868 -0.108 0.000 0.868 247 T HN 0.313 nan 8.240 nan 0.000 0.444 248 A N 0.930 123.716 122.820 -0.057 0.000 2.067 248 A HA 0.134 4.454 4.320 -0.000 0.000 0.219 248 A C 2.074 179.678 177.584 0.032 0.000 1.158 248 A CA 0.879 52.918 52.037 0.004 0.000 0.661 248 A CB -0.692 18.332 19.000 0.040 0.000 0.801 248 A HN 0.486 nan 8.150 nan 0.000 0.452 249 L N -0.126 121.105 121.223 0.014 0.000 2.610 249 L HA 0.011 4.351 4.340 -0.000 0.000 0.232 249 L C 0.169 177.056 176.870 0.029 0.000 1.149 249 L CA -0.016 54.855 54.840 0.051 0.000 0.872 249 L CB -0.205 41.887 42.059 0.055 0.000 0.992 249 L HN 0.379 nan 8.230 nan 0.000 0.447 250 E N 0.394 120.592 120.200 -0.003 0.000 2.220 250 E HA 0.174 4.524 4.350 -0.000 0.000 0.272 250 E C 1.106 177.716 176.600 0.015 0.000 1.099 250 E CA 0.540 56.938 56.400 -0.004 0.000 0.907 250 E CB 0.407 30.092 29.700 -0.024 0.000 1.022 250 E HN 0.314 nan 8.360 nan 0.000 0.428 251 G N 2.783 111.596 108.800 0.021 0.000 2.184 251 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 251 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 251 G C 0.464 175.392 174.900 0.046 0.000 0.975 251 G CA 0.002 45.118 45.100 0.027 0.000 0.642 251 G HN 0.769 nan 8.290 nan 0.000 0.536 252 A N 0.211 123.068 122.820 0.062 0.000 2.477 252 A HA 0.521 4.841 4.320 -0.000 0.000 0.246 252 A C 1.146 178.788 177.584 0.098 0.000 1.078 252 A CA 0.873 52.970 52.037 0.100 0.000 0.770 252 A CB 0.299 19.375 19.000 0.126 0.000 1.011 252 A HN 0.281 nan 8.150 nan 0.000 0.494 253 D N 0.573 121.063 120.400 0.150 0.000 2.338 253 D HA 0.161 4.801 4.640 -0.000 0.000 0.208 253 D C -0.589 175.681 176.300 -0.050 0.000 0.997 253 D CA 1.136 55.192 54.000 0.093 0.000 0.880 253 D CB 0.232 41.174 40.800 0.237 0.000 0.980 253 D HN 0.475 nan 8.370 nan 0.000 0.509 254 F N -0.137 119.860 119.950 0.078 0.000 2.588 254 F HA 0.406 4.933 4.527 -0.000 0.000 0.310 254 F C -0.948 174.913 175.800 0.100 0.000 1.082 254 F CA -1.307 56.719 58.000 0.043 0.000 0.929 254 F CB 2.176 41.189 39.000 0.022 0.000 1.254 254 F HN -0.330 nan 8.300 nan 0.000 0.455 255 F N 4.472 124.482 119.950 0.101 0.000 2.539 255 F HA 0.688 5.215 4.527 -0.000 0.000 0.328 255 F C -1.437 174.412 175.800 0.082 0.000 1.148 255 F CA -0.875 57.176 58.000 0.086 0.000 0.940 255 F CB 0.818 39.867 39.000 0.081 0.000 1.194 255 F HN 0.301 nan 8.300 nan 0.000 0.438 256 I N 6.286 126.522 120.570 -0.556 0.000 2.428 256 I HA 0.386 4.556 4.170 -0.000 0.000 0.279 256 I C 0.374 176.097 176.117 -0.657 0.000 1.040 256 I CA -0.618 60.464 61.300 -0.363 0.000 1.171 256 I CB 1.158 39.083 38.000 -0.124 0.000 1.312 256 I HN 0.785 nan 8.210 nan 0.000 0.470 257 G N 4.234 112.623 108.800 -0.685 0.000 2.343 257 G HA2 0.488 4.448 3.960 -0.000 0.000 0.319 257 G HA3 0.488 4.448 3.960 -0.000 0.000 0.319 257 G C -0.588 174.261 174.900 -0.085 0.000 1.126 257 G CA -0.289 44.557 45.100 -0.423 0.000 0.889 257 G HN 0.356 nan 8.290 nan 0.000 0.457 258 V N 2.316 122.200 119.914 -0.049 0.000 2.786 258 V HA 0.373 4.493 4.120 -0.000 0.000 0.326 258 V C 0.395 176.496 176.094 0.012 0.000 1.185 258 V CA 0.471 62.764 62.300 -0.010 0.000 1.355 258 V CB -0.065 31.740 31.823 -0.030 0.000 1.275 258 V HN 0.996 nan 8.190 nan 0.000 0.611 259 S N 2.694 118.420 115.700 0.044 0.000 3.465 259 S HA 0.614 5.084 4.470 -0.000 0.000 0.179 259 S C 0.509 175.145 174.600 0.060 0.000 0.922 259 S CA -0.670 57.564 58.200 0.056 0.000 1.168 259 S CB 1.059 64.309 63.200 0.083 0.000 1.229 259 S HN 0.446 nan 8.310 nan 0.000 0.867 260 R N 0.095 120.643 120.500 0.079 0.000 2.923 260 R HA 0.693 5.033 4.340 -0.000 0.000 0.252 260 R C -0.099 176.244 176.300 0.072 0.000 1.130 260 R CA -0.531 55.608 56.100 0.065 0.000 1.043 260 R CB 1.274 31.610 30.300 0.059 0.000 1.205 260 R HN 0.643 nan 8.270 nan 0.000 0.495 261 G N 0.152 108.982 108.800 0.050 0.000 2.448 261 G HA2 0.128 4.088 3.960 -0.000 0.000 0.285 261 G HA3 0.128 4.088 3.960 -0.000 0.000 0.285 261 G C -0.407 174.506 174.900 0.022 0.000 1.176 261 G CA -0.431 44.692 45.100 0.039 0.000 0.852 261 G HN 0.736 nan 8.290 nan 0.000 0.530 262 N N -0.572 118.128 118.700 0.001 0.000 2.688 262 N HA -0.195 4.545 4.740 -0.000 0.000 0.258 262 N C 0.838 176.321 175.510 -0.045 0.000 1.016 262 N CA 1.268 54.295 53.050 -0.039 0.000 0.747 262 N CB -0.891 37.574 38.487 -0.037 0.000 0.895 262 N HN 0.844 nan 8.380 nan 0.000 0.543 263 I N -4.186 116.366 120.570 -0.030 0.000 4.327 263 I HA 0.282 4.452 4.170 -0.000 0.000 0.331 263 I C 0.314 176.391 176.117 -0.067 0.000 1.348 263 I CA -0.188 61.113 61.300 0.002 0.000 1.152 263 I CB 0.520 38.579 38.000 0.098 0.000 1.151 263 I HN 0.057 nan 8.210 nan 0.000 0.410 264 L N 3.540 124.650 121.223 -0.189 0.000 2.262 264 L HA 0.494 4.834 4.340 -0.000 0.000 0.288 264 L C -0.384 176.088 176.870 -0.662 0.000 1.035 264 L CA -0.477 54.142 54.840 -0.368 0.000 0.820 264 L CB 0.903 42.726 42.059 -0.393 0.000 1.204 264 L HN 0.126 nan 8.230 nan 0.000 0.424 265 K N 7.262 126.810 120.400 -1.421 0.000 2.312 265 K HA 0.197 4.517 4.320 -0.000 0.000 0.287 265 K C -1.485 174.636 176.600 -0.799 0.000 1.062 265 K CA -1.569 53.968 56.287 -1.249 0.000 0.934 265 K CB 1.034 32.489 32.500 -1.742 0.000 1.027 265 K HN 0.452 nan 8.250 nan 0.000 0.478 266 P HA -0.266 nan 4.420 nan 0.000 0.219 266 P C 0.566 177.764 177.300 -0.170 0.000 1.153 266 P CA 1.527 64.481 63.100 -0.242 0.000 0.865 266 P CB 0.390 31.985 31.700 -0.175 0.000 0.788 267 E N -1.407 118.678 120.200 -0.191 0.000 2.208 267 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 267 E C 1.880 178.564 176.600 0.141 0.000 0.988 267 E CA 0.698 57.083 56.400 -0.024 0.000 0.828 267 E CB -0.611 29.099 29.700 0.016 0.000 0.763 267 E HN 0.437 nan 8.360 nan 0.000 0.478 268 W N 0.647 121.911 121.300 -0.061 0.000 2.525 268 W HA 0.031 4.691 4.660 -0.000 0.000 0.259 268 W C 1.927 178.404 176.519 -0.070 0.000 1.253 268 W CA -0.040 57.266 57.345 -0.065 0.000 1.262 268 W CB -0.971 28.438 29.460 -0.086 0.000 1.122 268 W HN 0.060 nan 8.180 nan 0.000 0.607 269 I N 0.466 121.104 120.570 0.112 0.000 2.394 269 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 269 I C 1.966 178.106 176.117 0.039 0.000 1.136 269 I CA 1.305 62.628 61.300 0.039 0.000 1.425 269 I CB -0.483 37.507 38.000 -0.016 0.000 1.079 269 I HN -0.129 nan 8.210 nan 0.000 0.425 270 K N 0.859 121.286 120.400 0.045 0.000 2.486 270 K HA -0.037 4.283 4.320 -0.000 0.000 0.194 270 K C 1.470 178.091 176.600 0.035 0.000 1.033 270 K CA 0.552 56.858 56.287 0.032 0.000 1.004 270 K CB 0.112 32.629 32.500 0.028 0.000 0.798 270 K HN 0.284 nan 8.250 nan 0.000 0.495 271 K N 0.060 120.491 120.400 0.053 0.000 2.404 271 K HA 0.163 4.483 4.320 -0.000 0.000 0.194 271 K C 0.321 176.938 176.600 0.028 0.000 1.023 271 K CA 0.162 56.471 56.287 0.036 0.000 1.094 271 K CB 0.332 32.853 32.500 0.036 0.000 0.841 271 K HN 0.113 nan 8.250 nan 0.000 0.523 272 M N 1.221 120.840 119.600 0.032 0.000 2.367 272 M HA 0.095 4.575 4.480 -0.000 0.000 0.339 272 M C 0.729 177.035 176.300 0.011 0.000 1.177 272 M CA -0.490 54.826 55.300 0.027 0.000 1.068 272 M CB 1.570 34.191 32.600 0.035 0.000 1.602 272 M HN -0.016 nan 8.290 nan 0.000 0.457 273 S N 1.558 117.264 115.700 0.010 0.000 2.622 273 S HA 0.083 4.553 4.470 -0.000 0.000 0.251 273 S C 0.170 174.754 174.600 -0.025 0.000 1.402 273 S CA -0.193 58.004 58.200 -0.004 0.000 0.972 273 S CB 0.261 63.464 63.200 0.005 0.000 0.913 273 S HN 0.676 nan 8.310 nan 0.000 0.573 274 R N 0.971 121.447 120.500 -0.041 0.000 2.679 274 R HA 0.190 4.530 4.340 -0.000 0.000 0.268 274 R C 0.042 176.281 176.300 -0.101 0.000 1.044 274 R CA 0.482 56.540 56.100 -0.071 0.000 1.105 274 R CB -0.077 30.172 30.300 -0.085 0.000 0.989 274 R HN 0.719 nan 8.270 nan 0.000 0.447 275 K N 1.434 121.760 120.400 -0.123 0.000 4.405 275 K HA -0.146 4.174 4.320 -0.000 0.000 0.287 275 K C -2.359 174.211 176.600 -0.050 0.000 0.905 275 K CA 0.337 56.548 56.287 -0.126 0.000 0.867 275 K CB -0.921 31.332 32.500 -0.412 0.000 1.652 275 K HN 0.492 nan 8.250 nan 0.000 0.435 276 P HA 0.129 nan 4.420 nan 0.000 0.287 276 P C -0.107 177.127 177.300 -0.110 0.000 1.281 276 P CA -0.384 62.662 63.100 -0.091 0.000 0.781 276 P CB 1.224 32.907 31.700 -0.029 0.000 0.903 277 V N 5.703 125.411 119.914 -0.342 0.000 2.498 277 V HA 0.212 4.332 4.120 -0.000 0.000 0.279 277 V C 0.675 176.706 176.094 -0.105 0.000 1.048 277 V CA -0.183 61.923 62.300 -0.324 0.000 0.967 277 V CB 0.809 32.159 31.823 -0.787 0.000 0.988 277 V HN 0.412 nan 8.190 nan 0.000 0.473 278 I N 5.736 126.349 120.570 0.071 0.000 2.420 278 I HA 0.369 4.539 4.170 -0.000 0.000 0.282 278 I C -0.753 175.641 176.117 0.461 0.000 1.019 278 I CA -0.421 61.027 61.300 0.248 0.000 1.130 278 I CB 1.192 39.303 38.000 0.183 0.000 1.262 278 I HN 0.367 nan 8.210 nan 0.000 0.454 279 F N 4.897 124.981 119.950 0.224 0.000 2.334 279 F HA 0.434 4.961 4.527 -0.000 0.000 0.365 279 F C 0.928 176.804 175.800 0.126 0.000 1.124 279 F CA -1.490 56.586 58.000 0.126 0.000 1.166 279 F CB 1.100 40.149 39.000 0.081 0.000 1.355 279 F HN 0.493 nan 8.300 nan 0.000 0.532 280 A N 5.580 128.576 122.820 0.294 0.000 3.095 280 A HA 0.456 4.776 4.320 -0.000 0.000 0.301 280 A C 0.721 178.371 177.584 0.111 0.000 1.432 280 A CA -0.294 51.879 52.037 0.227 0.000 1.140 280 A CB -0.589 18.513 19.000 0.171 0.000 1.174 280 A HN 0.754 nan 8.150 nan 0.000 0.546 281 L N 0.888 122.161 121.223 0.085 0.000 2.645 281 L HA 0.143 4.483 4.340 -0.000 0.000 0.235 281 L C 1.301 178.186 176.870 0.025 0.000 1.150 281 L CA -0.013 54.842 54.840 0.024 0.000 0.911 281 L CB -0.553 41.501 42.059 -0.008 0.000 1.077 281 L HN 0.647 nan 8.230 nan 0.000 0.438 282 A N 1.559 124.408 122.820 0.048 0.000 2.401 282 A HA 0.368 4.688 4.320 -0.000 0.000 0.259 282 A C 0.060 177.664 177.584 0.034 0.000 1.103 282 A CA -0.331 51.730 52.037 0.041 0.000 0.789 282 A CB 0.122 19.159 19.000 0.060 0.000 1.035 282 A HN 0.493 nan 8.150 nan 0.000 0.491 283 N N 2.238 120.953 118.700 0.024 0.000 2.370 283 N HA 0.611 5.351 4.740 -0.000 0.000 0.303 283 N C -1.622 173.901 175.510 0.021 0.000 1.103 283 N CA -1.530 51.534 53.050 0.023 0.000 0.848 283 N CB 1.623 40.120 38.487 0.016 0.000 1.235 283 N HN 0.225 nan 8.380 nan 0.000 0.496 284 P HA 0.054 nan 4.420 nan 0.000 0.222 284 P C -0.425 176.898 177.300 0.037 0.000 1.157 284 P CA 0.313 63.429 63.100 0.027 0.000 0.816 284 P CB 0.374 32.087 31.700 0.021 0.000 0.813 285 V N 3.223 123.157 119.914 0.033 0.000 2.432 285 V HA 0.235 4.355 4.120 -0.000 0.000 0.271 285 V C -2.274 173.842 176.094 0.036 0.000 1.046 285 V CA -1.770 60.551 62.300 0.034 0.000 0.945 285 V CB 0.646 32.485 31.823 0.025 0.000 0.992 285 V HN 0.022 nan 8.190 nan 0.000 0.471 286 P HA 0.176 nan 4.420 nan 0.000 0.272 286 P C 0.626 177.956 177.300 0.049 0.000 1.223 286 P CA -0.264 62.859 63.100 0.038 0.000 0.784 286 P CB 0.792 32.493 31.700 0.001 0.000 0.923 287 E N 0.962 121.224 120.200 0.104 0.000 2.208 287 E HA -0.142 4.208 4.350 -0.000 0.000 0.202 287 E C 0.788 177.401 176.600 0.022 0.000 1.014 287 E CA 1.390 57.865 56.400 0.125 0.000 0.819 287 E CB -0.234 29.659 29.700 0.320 0.000 0.735 287 E HN 0.384 nan 8.360 nan 0.000 0.469 288 I N -0.936 119.633 120.570 -0.003 0.000 2.918 288 I HA 0.119 4.289 4.170 -0.000 0.000 0.301 288 I C -1.483 174.594 176.117 -0.066 0.000 1.312 288 I CA -1.100 60.158 61.300 -0.070 0.000 1.007 288 I CB 2.076 40.002 38.000 -0.123 0.000 1.281 288 I HN -0.242 nan 8.210 nan 0.000 0.440 289 D N 6.723 127.076 120.400 -0.079 0.000 2.425 289 D HA 0.196 4.836 4.640 -0.000 0.000 0.247 289 D C -1.871 174.355 176.300 -0.123 0.000 1.147 289 D CA -1.127 52.820 54.000 -0.088 0.000 0.879 289 D CB 1.550 42.319 40.800 -0.052 0.000 1.179 289 D HN 0.214 nan 8.370 nan 0.000 0.456 290 P HA -0.183 nan 4.420 nan 0.000 0.215 290 P C 0.933 178.173 177.300 -0.100 0.000 1.157 290 P CA 1.064 64.017 63.100 -0.244 0.000 0.874 290 P CB 0.199 31.526 31.700 -0.622 0.000 0.790 291 E N -0.466 119.703 120.200 -0.052 0.000 2.051 291 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 291 E C 1.798 178.388 176.600 -0.018 0.000 0.991 291 E CA 0.887 57.286 56.400 -0.002 0.000 0.799 291 E CB -1.303 28.416 29.700 0.031 0.000 0.748 291 E HN -0.021 nan 8.360 nan 0.000 0.449 292 L N 0.301 121.504 121.223 -0.034 0.000 2.079 292 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 292 L C 2.104 178.945 176.870 -0.049 0.000 1.081 292 L CA 2.315 57.128 54.840 -0.044 0.000 0.752 292 L CB -1.071 40.950 42.059 -0.062 0.000 0.896 292 L HN 0.175 nan 8.230 nan 0.000 0.433 293 A N -0.643 122.146 122.820 -0.051 0.000 1.898 293 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 293 A C 2.430 180.004 177.584 -0.017 0.000 1.181 293 A CA 1.564 53.576 52.037 -0.042 0.000 0.620 293 A CB -0.480 18.499 19.000 -0.035 0.000 0.819 293 A HN 0.453 nan 8.150 nan 0.000 0.442 294 R N -0.308 120.186 120.500 -0.009 0.000 2.091 294 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 294 R C 2.139 178.444 176.300 0.008 0.000 1.136 294 R CA 1.557 57.662 56.100 0.008 0.000 0.959 294 R CB -0.184 30.122 30.300 0.010 0.000 0.856 294 R HN 0.476 nan 8.270 nan 0.000 0.437 295 E N 0.205 120.403 120.200 -0.003 0.000 2.077 295 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 295 E C 1.810 178.405 176.600 -0.008 0.000 0.989 295 E CA 1.453 57.850 56.400 -0.005 0.000 0.800 295 E CB -0.285 29.408 29.700 -0.011 0.000 0.746 295 E HN 0.360 nan 8.360 nan 0.000 0.452 296 A N 0.006 122.814 122.820 -0.019 0.000 2.239 296 A HA 0.196 4.516 4.320 -0.000 0.000 0.209 296 A C 1.410 178.989 177.584 -0.008 0.000 1.171 296 A CA 1.202 53.225 52.037 -0.022 0.000 0.768 296 A CB -0.243 18.730 19.000 -0.044 0.000 0.790 296 A HN 0.285 nan 8.150 nan 0.000 0.478 297 G N -2.224 106.578 108.800 0.004 0.000 2.237 297 G HA2 0.258 4.218 3.960 -0.000 0.000 0.153 297 G HA3 0.258 4.218 3.960 -0.000 0.000 0.153 297 G C 0.016 174.935 174.900 0.032 0.000 1.039 297 G CA -0.040 45.070 45.100 0.017 0.000 0.719 297 G HN 1.445 nan 8.290 nan 0.000 0.491 298 A N -0.139 122.705 122.820 0.039 0.000 2.276 298 A HA 0.706 5.026 4.320 -0.000 0.000 0.300 298 A C 0.812 178.466 177.584 0.117 0.000 1.235 298 A CA 0.060 52.131 52.037 0.057 0.000 0.867 298 A CB 0.483 19.501 19.000 0.031 0.000 1.137 298 A HN 1.181 nan 8.150 nan 0.000 0.527 299 F N 3.216 123.138 119.950 -0.046 0.000 2.171 299 F HA 0.148 4.675 4.527 -0.000 0.000 0.300 299 F C 0.339 176.128 175.800 -0.018 0.000 1.090 299 F CA 0.970 58.945 58.000 -0.042 0.000 1.293 299 F CB -0.010 38.946 39.000 -0.073 0.000 1.013 299 F HN 0.422 nan 8.300 nan 0.000 0.486 300 I N 0.372 120.849 120.570 -0.156 0.000 2.656 300 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 300 I C -1.418 174.697 176.117 -0.003 0.000 1.144 300 I CA -0.949 60.226 61.300 -0.207 0.000 1.038 300 I CB 2.460 40.294 38.000 -0.278 0.000 1.244 300 I HN -0.471 nan 8.210 nan 0.000 0.420 301 V N 4.063 123.990 119.914 0.023 0.000 2.709 301 V HA 0.898 5.018 4.120 -0.000 0.000 0.308 301 V C -0.454 175.687 176.094 0.079 0.000 1.062 301 V CA -0.495 61.853 62.300 0.079 0.000 0.901 301 V CB 1.845 33.681 31.823 0.022 0.000 1.003 301 V HN 0.842 nan 8.190 nan 0.000 0.425 302 A N 2.648 125.537 122.820 0.116 0.000 2.488 302 A HA 0.953 5.273 4.320 -0.000 0.000 0.298 302 A C -0.370 177.201 177.584 -0.021 0.000 1.044 302 A CA -0.137 51.893 52.037 -0.013 0.000 0.693 302 A CB 2.169 21.036 19.000 -0.221 0.000 1.272 302 A HN 1.062 nan 8.150 nan 0.000 0.402 303 T N -1.605 112.924 114.554 -0.042 0.000 2.887 303 T HA 0.648 4.998 4.350 -0.000 0.000 0.292 303 T C 0.952 175.637 174.700 -0.025 0.000 1.087 303 T CA 0.126 62.216 62.100 -0.018 0.000 1.009 303 T CB 1.453 70.320 68.868 -0.002 0.000 1.203 303 T HN 1.350 nan 8.240 nan 0.000 0.518 304 G N -0.252 108.544 108.800 -0.007 0.000 2.623 304 G HA2 0.122 4.082 3.960 -0.000 0.000 0.214 304 G HA3 0.122 4.082 3.960 -0.000 0.000 0.214 304 G C 0.683 175.589 174.900 0.010 0.000 1.138 304 G CA -0.261 44.830 45.100 -0.016 0.000 0.794 304 G HN 0.683 nan 8.290 nan 0.000 0.535 305 R N 0.616 121.148 120.500 0.053 0.000 2.539 305 R HA 0.244 4.584 4.340 -0.000 0.000 0.275 305 R C 1.751 178.092 176.300 0.068 0.000 1.077 305 R CA 0.440 56.585 56.100 0.075 0.000 1.097 305 R CB 1.109 31.492 30.300 0.139 0.000 1.018 305 R HN 0.280 nan 8.270 nan 0.000 0.483 306 S N 0.953 116.674 115.700 0.034 0.000 2.414 306 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 306 S C 0.793 175.392 174.600 -0.002 0.000 1.022 306 S CA 1.000 59.213 58.200 0.022 0.000 0.958 306 S CB -0.064 63.154 63.200 0.030 0.000 0.797 306 S HN 0.577 nan 8.310 nan 0.000 0.493 307 D N 2.343 122.706 120.400 -0.061 0.000 2.380 307 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 307 D C 1.069 177.230 176.300 -0.232 0.000 1.027 307 D CA 1.945 55.811 54.000 -0.222 0.000 0.880 307 D CB -0.659 39.855 40.800 -0.477 0.000 1.064 307 D HN 0.581 nan 8.370 nan 0.000 0.465 308 H N 0.473 119.546 119.070 0.004 0.000 2.654 308 H HA 0.164 4.720 4.556 -0.000 0.000 0.376 308 H C -1.634 173.692 175.328 -0.004 0.000 1.503 308 H CA -0.829 55.219 56.048 0.001 0.000 1.464 308 H CB -0.813 28.950 29.762 0.001 0.000 1.565 308 H HN 0.055 nan 8.280 nan 0.000 0.614 309 P HA -0.051 nan 4.420 nan 0.000 0.327 309 P C -0.278 177.040 177.300 0.031 0.000 1.342 309 P CA -0.498 62.634 63.100 0.054 0.000 0.761 309 P CB 0.119 31.840 31.700 0.035 0.000 1.675 310 N N 0.232 118.928 118.700 -0.006 0.000 2.913 310 N HA -0.227 4.513 4.740 -0.000 0.000 0.301 310 N C -0.063 175.404 175.510 -0.072 0.000 1.061 310 N CA 0.874 53.895 53.050 -0.048 0.000 0.827 310 N CB -0.912 37.540 38.487 -0.057 0.000 0.971 310 N HN 0.444 nan 8.380 nan 0.000 0.606 311 Q N 0.604 120.365 119.800 -0.066 0.000 2.274 311 Q HA 0.375 4.715 4.340 -0.000 0.000 0.256 311 Q C -0.868 175.054 176.000 -0.130 0.000 0.927 311 Q CA -0.581 55.176 55.803 -0.076 0.000 0.939 311 Q CB 0.915 29.624 28.738 -0.049 0.000 1.201 311 Q HN 0.193 nan 8.270 nan 0.000 0.426 312 V N 6.294 126.116 119.914 -0.154 0.000 2.313 312 V HA 0.388 4.508 4.120 -0.000 0.000 0.278 312 V C -0.510 175.506 176.094 -0.131 0.000 1.017 312 V CA -0.790 61.398 62.300 -0.185 0.000 0.823 312 V CB 0.607 32.261 31.823 -0.282 0.000 1.010 312 V HN 0.858 nan 8.190 nan 0.000 0.443 313 N N 3.517 122.142 118.700 -0.125 0.000 2.277 313 N HA 0.266 5.006 4.740 -0.000 0.000 0.286 313 N C 0.343 175.800 175.510 -0.089 0.000 1.140 313 N CA -0.837 52.158 53.050 -0.092 0.000 0.799 313 N CB 1.176 39.611 38.487 -0.086 0.000 1.596 313 N HN 0.206 nan 8.380 nan 0.000 0.473 314 N N 0.837 119.529 118.700 -0.013 0.000 2.091 314 N HA -0.203 4.537 4.740 -0.000 0.000 0.193 314 N C 1.587 177.047 175.510 -0.084 0.000 1.021 314 N CA 0.852 53.941 53.050 0.065 0.000 0.862 314 N CB -0.579 38.070 38.487 0.270 0.000 1.018 314 N HN 0.541 nan 8.380 nan 0.000 0.429 315 L N 1.187 122.291 121.223 -0.198 0.000 2.103 315 L HA -0.133 4.207 4.340 -0.000 0.000 0.215 315 L C 1.936 178.445 176.870 -0.602 0.000 1.080 315 L CA 1.308 55.785 54.840 -0.604 0.000 0.764 315 L CB -0.840 40.923 42.059 -0.495 0.000 0.890 315 L HN 0.192 nan 8.230 nan 0.000 0.435 316 L N -1.465 119.516 121.223 -0.402 0.000 2.447 316 L HA -0.187 4.153 4.340 -0.000 0.000 0.225 316 L C 2.012 178.696 176.870 -0.309 0.000 1.148 316 L CA 0.905 55.506 54.840 -0.397 0.000 0.808 316 L CB -0.557 41.318 42.059 -0.307 0.000 0.928 316 L HN 0.502 nan 8.230 nan 0.000 0.448 317 A N -0.860 121.803 122.820 -0.262 0.000 1.949 317 A HA 0.067 4.387 4.320 -0.000 0.000 0.200 317 A C 1.645 179.204 177.584 -0.043 0.000 1.832 317 A CA 0.215 52.200 52.037 -0.087 0.000 1.004 317 A CB -0.582 18.435 19.000 0.027 0.000 1.102 317 A HN 0.262 nan 8.150 nan 0.000 0.595 318 F N 0.931 120.866 119.950 -0.026 0.000 2.234 318 F HA 0.126 4.653 4.527 -0.000 0.000 0.299 318 F C -0.860 174.831 175.800 -0.182 0.000 1.087 318 F CA 1.071 58.993 58.000 -0.129 0.000 1.340 318 F CB -2.091 36.914 39.000 0.008 0.000 1.031 318 F HN 0.097 nan 8.300 nan 0.000 0.500 319 P HA -0.061 nan 4.420 nan 0.000 0.213 319 P C 2.119 179.453 177.300 0.057 0.000 1.170 319 P CA 2.535 65.511 63.100 -0.206 0.000 0.898 319 P CB -0.466 30.977 31.700 -0.427 0.000 0.787 320 G N -0.089 108.755 108.800 0.074 0.000 2.511 320 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 320 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 320 G C 1.534 176.522 174.900 0.147 0.000 1.218 320 G CA 0.913 46.109 45.100 0.161 0.000 0.788 320 G HN 0.184 nan 8.290 nan 0.000 0.560 321 I N 0.107 120.701 120.570 0.040 0.000 2.074 321 I HA -0.331 3.839 4.170 -0.000 0.000 0.238 321 I C 2.799 178.895 176.117 -0.034 0.000 1.037 321 I CA 2.063 63.341 61.300 -0.037 0.000 1.301 321 I CB -0.342 37.526 38.000 -0.221 0.000 1.016 321 I HN 0.190 nan 8.210 nan 0.000 0.400 322 M N 0.786 120.345 119.600 -0.068 0.000 2.106 322 M HA -0.258 4.222 4.480 -0.000 0.000 0.259 322 M C 2.184 178.569 176.300 0.141 0.000 1.068 322 M CA 1.911 57.237 55.300 0.044 0.000 1.100 322 M CB -0.475 32.311 32.600 0.310 0.000 1.351 322 M HN 0.058 nan 8.290 nan 0.000 0.404 323 K N -1.181 119.342 120.400 0.206 0.000 2.001 323 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 323 K C 1.954 178.748 176.600 0.323 0.000 1.048 323 K CA 1.660 58.085 56.287 0.230 0.000 0.932 323 K CB -0.829 31.767 32.500 0.160 0.000 0.715 323 K HN 0.447 nan 8.250 nan 0.000 0.437 324 G N 0.183 109.217 108.800 0.391 0.000 2.442 324 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 324 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 324 G C 1.537 176.509 174.900 0.119 0.000 1.141 324 G CA 0.978 46.221 45.100 0.238 0.000 0.763 324 G HN 0.466 nan 8.290 nan 0.000 0.554 325 A N -0.050 122.831 122.820 0.100 0.000 1.929 325 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 325 A C 2.493 180.126 177.584 0.082 0.000 1.176 325 A CA 1.487 53.567 52.037 0.073 0.000 0.628 325 A CB -0.354 18.684 19.000 0.063 0.000 0.816 325 A HN 0.238 nan 8.150 nan 0.000 0.444 326 V N -0.074 119.905 119.914 0.108 0.000 2.809 326 V HA -0.181 3.939 4.120 -0.000 0.000 0.256 326 V C 2.341 178.507 176.094 0.120 0.000 1.080 326 V CA 2.112 64.483 62.300 0.118 0.000 1.102 326 V CB -0.421 31.477 31.823 0.125 0.000 0.705 326 V HN 0.775 nan 8.190 nan 0.000 0.475 327 E N 0.622 120.909 120.200 0.144 0.000 2.060 327 E HA -0.150 4.200 4.350 -0.000 0.000 0.189 327 E C 2.137 178.757 176.600 0.034 0.000 0.974 327 E CA 0.554 57.036 56.400 0.137 0.000 0.808 327 E CB -0.057 29.780 29.700 0.228 0.000 0.768 327 E HN 0.449 nan 8.360 nan 0.000 0.453 328 K N 0.897 121.315 120.400 0.030 0.000 2.616 328 K HA -0.060 4.260 4.320 -0.000 0.000 0.192 328 K C -0.161 176.419 176.600 -0.032 0.000 1.031 328 K CA 0.190 56.470 56.287 -0.011 0.000 1.004 328 K CB -0.133 32.363 32.500 -0.007 0.000 0.810 328 K HN 0.096 nan 8.250 nan 0.000 0.497 329 R N 0.544 121.014 120.500 -0.051 0.000 3.460 329 R HA -0.187 4.153 4.340 -0.000 0.000 0.254 329 R C -0.299 175.990 176.300 -0.019 0.000 1.028 329 R CA 0.802 56.851 56.100 -0.085 0.000 0.688 329 R CB -2.294 27.875 30.300 -0.218 0.000 1.062 329 R HN 0.374 nan 8.270 nan 0.000 0.463 330 S N -1.106 114.602 115.700 0.014 0.000 2.648 330 S HA 0.572 5.042 4.470 -0.000 0.000 0.305 330 S C 0.105 174.739 174.600 0.056 0.000 1.094 330 S CA -1.254 56.964 58.200 0.030 0.000 0.983 330 S CB 2.482 65.696 63.200 0.023 0.000 1.101 330 S HN 0.162 nan 8.310 nan 0.000 0.514 331 K N 0.355 120.792 120.400 0.062 0.000 2.187 331 K HA 0.319 4.639 4.320 -0.000 0.000 0.247 331 K C -0.453 176.203 176.600 0.094 0.000 1.019 331 K CA -0.175 56.161 56.287 0.081 0.000 0.893 331 K CB 0.184 32.729 32.500 0.074 0.000 1.025 331 K HN 0.548 nan 8.250 nan 0.000 0.500 332 I N 2.323 122.968 120.570 0.126 0.000 2.297 332 I HA 0.040 4.210 4.170 -0.000 0.000 0.291 332 I C 0.567 176.767 176.117 0.138 0.000 1.033 332 I CA -0.322 61.071 61.300 0.155 0.000 1.253 332 I CB 0.885 39.035 38.000 0.250 0.000 1.396 332 I HN 0.682 nan 8.210 nan 0.000 0.476 333 T N 1.711 116.331 114.554 0.109 0.000 2.944 333 T HA 0.274 4.623 4.350 -0.000 0.000 0.284 333 T C 0.930 175.680 174.700 0.084 0.000 1.010 333 T CA -0.853 61.297 62.100 0.082 0.000 1.025 333 T CB 2.161 71.060 68.868 0.053 0.000 1.079 333 T HN 0.592 nan 8.240 nan 0.000 0.516 334 K N 0.850 121.276 120.400 0.042 0.000 2.152 334 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 334 K C 1.951 178.556 176.600 0.010 0.000 1.048 334 K CA 1.575 57.860 56.287 -0.003 0.000 0.933 334 K CB -0.279 32.173 32.500 -0.080 0.000 0.721 334 K HN 0.680 nan 8.250 nan 0.000 0.447 335 N N -0.134 118.578 118.700 0.019 0.000 2.142 335 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 335 N C 1.882 177.421 175.510 0.048 0.000 1.023 335 N CA 1.363 54.426 53.050 0.022 0.000 0.852 335 N CB -0.039 38.457 38.487 0.015 0.000 0.998 335 N HN 0.191 nan 8.380 nan 0.000 0.424 336 M N 0.811 120.449 119.600 0.064 0.000 2.067 336 M HA -0.174 4.306 4.480 -0.000 0.000 0.260 336 M C 2.138 178.507 176.300 0.114 0.000 1.069 336 M CA 1.432 56.777 55.300 0.076 0.000 1.117 336 M CB -0.493 32.157 32.600 0.083 0.000 1.334 336 M HN 0.159 nan 8.290 nan 0.000 0.407 337 L N 0.188 121.511 121.223 0.167 0.000 2.013 337 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 337 L C 2.465 179.484 176.870 0.250 0.000 1.073 337 L CA 1.386 56.381 54.840 0.260 0.000 0.753 337 L CB -0.774 41.515 42.059 0.383 0.000 0.890 337 L HN 0.376 nan 8.230 nan 0.000 0.432 338 L N -0.978 120.352 121.223 0.179 0.000 2.083 338 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 338 L C 2.699 179.635 176.870 0.110 0.000 1.083 338 L CA 1.057 55.985 54.840 0.147 0.000 0.752 338 L CB -0.476 41.618 42.059 0.058 0.000 0.899 338 L HN 0.248 nan 8.230 nan 0.000 0.433 339 S N 0.117 115.867 115.700 0.083 0.000 2.382 339 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 339 S C 2.177 176.813 174.600 0.060 0.000 1.027 339 S CA 1.203 59.437 58.200 0.056 0.000 0.991 339 S CB -0.264 62.959 63.200 0.038 0.000 0.823 339 S HN 0.513 nan 8.310 nan 0.000 0.469 340 A N 1.037 123.906 122.820 0.081 0.000 2.015 340 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 340 A C 2.272 179.894 177.584 0.064 0.000 1.163 340 A CA 1.093 53.172 52.037 0.070 0.000 0.646 340 A CB -0.666 18.389 19.000 0.092 0.000 0.806 340 A HN 0.343 nan 8.150 nan 0.000 0.448 341 V N 0.178 120.151 119.914 0.098 0.000 2.244 341 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 341 V C 2.566 178.699 176.094 0.066 0.000 1.042 341 V CA 2.025 64.381 62.300 0.092 0.000 1.006 341 V CB -0.738 31.179 31.823 0.157 0.000 0.641 341 V HN 0.495 nan 8.190 nan 0.000 0.446 342 E N 0.601 120.841 120.200 0.067 0.000 2.038 342 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 342 E C 2.397 179.014 176.600 0.028 0.000 1.000 342 E CA 1.679 58.107 56.400 0.047 0.000 0.803 342 E CB -0.848 28.877 29.700 0.041 0.000 0.750 342 E HN 0.531 nan 8.360 nan 0.000 0.448 343 A N 1.581 124.415 122.820 0.024 0.000 1.896 343 A HA -0.250 4.069 4.320 -0.000 0.000 0.220 343 A C 2.409 179.989 177.584 -0.008 0.000 1.206 343 A CA 2.009 54.051 52.037 0.009 0.000 0.647 343 A CB -0.953 18.053 19.000 0.011 0.000 0.828 343 A HN 0.232 nan 8.150 nan 0.000 0.455 344 I N -0.623 119.938 120.570 -0.016 0.000 2.142 344 I HA -0.287 3.883 4.170 -0.000 0.000 0.240 344 I C 3.044 179.143 176.117 -0.030 0.000 1.078 344 I CA 1.114 62.387 61.300 -0.045 0.000 1.343 344 I CB -0.561 37.405 38.000 -0.056 0.000 1.046 344 I HN 0.398 nan 8.210 nan 0.000 0.405 345 A N 1.883 124.700 122.820 -0.004 0.000 1.892 345 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 345 A C 2.249 179.834 177.584 0.002 0.000 1.188 345 A CA 2.293 54.335 52.037 0.007 0.000 0.631 345 A CB -0.784 18.234 19.000 0.030 0.000 0.822 345 A HN 0.599 nan 8.150 nan 0.000 0.447 346 R N -0.685 119.818 120.500 0.004 0.000 2.313 346 R HA 0.221 4.560 4.340 -0.000 0.000 0.199 346 R C 0.586 176.884 176.300 -0.003 0.000 0.958 346 R CA 1.004 57.106 56.100 0.004 0.000 1.047 346 R CB -0.403 29.901 30.300 0.008 0.000 0.955 346 R HN 0.176 nan 8.270 nan 0.000 0.481 347 S N 0.877 116.569 115.700 -0.013 0.000 2.763 347 S HA 0.155 4.625 4.470 -0.000 0.000 0.237 347 S C -0.169 174.420 174.600 -0.019 0.000 0.966 347 S CA 0.117 58.304 58.200 -0.020 0.000 1.017 347 S CB -0.824 62.350 63.200 -0.043 0.000 0.780 347 S HN 0.648 nan 8.310 nan 0.000 0.476 348 C N -0.783 118.511 119.300 -0.010 0.000 2.951 348 C HA 0.520 4.980 4.460 -0.000 0.000 0.331 348 C C -1.503 173.486 174.990 -0.001 0.000 1.256 348 C CA -1.279 57.735 59.018 -0.007 0.000 1.176 348 C CB 0.719 28.450 27.740 -0.014 0.000 1.349 348 C HN 0.243 nan 8.230 nan 0.000 0.473 349 E N 3.045 123.246 120.200 0.002 0.000 2.081 349 E HA 0.631 4.981 4.350 -0.000 0.000 0.281 349 E C -2.104 174.499 176.600 0.004 0.000 0.986 349 E CA -1.624 54.779 56.400 0.006 0.000 0.796 349 E CB 1.008 30.713 29.700 0.008 0.000 1.085 349 E HN 0.646 nan 8.360 nan 0.000 0.398 350 P HA 0.013 nan 4.420 nan 0.000 0.266 350 P C -1.036 176.265 177.300 0.002 0.000 1.195 350 P CA 0.225 63.327 63.100 0.003 0.000 0.768 350 P CB 0.484 32.190 31.700 0.011 0.000 0.838 351 E N 2.016 122.208 120.200 -0.014 0.000 2.363 351 E HA 0.292 4.642 4.350 -0.000 0.000 0.281 351 E C -2.816 173.744 176.600 -0.067 0.000 0.953 351 E CA -2.249 54.138 56.400 -0.022 0.000 0.778 351 E CB 0.816 30.511 29.700 -0.008 0.000 1.220 351 E HN -0.040 nan 8.360 nan 0.000 0.431 352 P HA -0.279 nan 4.420 nan 0.000 0.222 352 P C 0.560 177.777 177.300 -0.138 0.000 1.157 352 P CA 1.609 64.570 63.100 -0.230 0.000 0.905 352 P CB 0.189 31.755 31.700 -0.224 0.000 0.792 353 E N -2.159 117.998 120.200 -0.072 0.000 2.463 353 E HA 0.091 4.441 4.350 -0.000 0.000 0.193 353 E C 0.730 177.314 176.600 -0.027 0.000 1.041 353 E CA 0.134 56.510 56.400 -0.040 0.000 0.879 353 E CB 0.186 29.875 29.700 -0.018 0.000 0.997 353 E HN 0.249 nan 8.360 nan 0.000 0.478 354 R N 1.383 121.863 120.500 -0.033 0.000 3.033 354 R HA 0.149 4.489 4.340 -0.000 0.000 0.236 354 R C 0.662 176.946 176.300 -0.026 0.000 1.774 354 R CA 0.084 56.169 56.100 -0.025 0.000 1.401 354 R CB -0.341 29.951 30.300 -0.014 0.000 1.539 354 R HN 0.087 nan 8.270 nan 0.000 0.618 355 I N 0.510 121.063 120.570 -0.029 0.000 2.876 355 I HA 0.239 4.409 4.170 -0.000 0.000 0.264 355 I C 0.620 176.727 176.117 -0.016 0.000 1.204 355 I CA 0.376 61.668 61.300 -0.012 0.000 1.485 355 I CB 0.061 38.072 38.000 0.018 0.000 1.103 355 I HN 0.274 nan 8.210 nan 0.000 0.446 356 I N -1.759 118.788 120.570 -0.038 0.000 2.994 356 I HA 0.655 4.825 4.170 -0.000 0.000 0.306 356 I C -2.907 173.174 176.117 -0.060 0.000 1.195 356 I CA -2.287 58.981 61.300 -0.053 0.000 1.001 356 I CB 1.972 39.925 38.000 -0.079 0.000 1.244 356 I HN -0.279 nan 8.210 nan 0.000 0.437 357 P HA 0.289 nan 4.420 nan 0.000 0.277 357 P C -0.961 176.286 177.300 -0.087 0.000 1.276 357 P CA -0.047 63.014 63.100 -0.065 0.000 0.788 357 P CB 0.625 32.281 31.700 -0.073 0.000 1.114 358 E N -0.930 119.236 120.200 -0.058 0.000 2.280 358 E HA 0.434 4.784 4.350 -0.000 0.000 0.261 358 E C 1.232 177.726 176.600 -0.176 0.000 1.088 358 E CA -0.591 55.765 56.400 -0.074 0.000 0.915 358 E CB -0.011 29.720 29.700 0.052 0.000 1.141 358 E HN 0.378 nan 8.360 nan 0.000 0.433 359 A N 0.421 123.044 122.820 -0.328 0.000 2.070 359 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 359 A C 1.344 178.688 177.584 -0.400 0.000 1.159 359 A CA 1.160 52.879 52.037 -0.529 0.000 0.656 359 A CB -0.626 17.922 19.000 -0.754 0.000 0.800 359 A HN 0.559 nan 8.150 nan 0.000 0.453 360 F N 0.339 120.335 119.950 0.077 0.000 2.661 360 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 360 F C 0.886 176.803 175.800 0.194 0.000 1.137 360 F CA -0.102 58.042 58.000 0.240 0.000 1.454 360 F CB -0.156 38.949 39.000 0.174 0.000 1.103 360 F HN 0.111 nan 8.300 nan 0.000 0.577 361 D N 1.363 121.884 120.400 0.202 0.000 2.385 361 D HA -0.035 4.605 4.640 -0.000 0.000 0.260 361 D C 1.428 177.814 176.300 0.144 0.000 1.326 361 D CA 0.123 54.198 54.000 0.125 0.000 1.023 361 D CB 0.335 41.146 40.800 0.018 0.000 1.083 361 D HN -0.002 nan 8.370 nan 0.000 0.517 362 M N 2.286 122.030 119.600 0.241 0.000 2.521 362 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 362 M C 1.695 178.097 176.300 0.169 0.000 1.068 362 M CA 0.856 56.325 55.300 0.281 0.000 1.060 362 M CB -0.431 32.296 32.600 0.211 0.000 1.398 362 M HN 0.244 nan 8.290 nan 0.000 0.473 363 K N -0.040 120.415 120.400 0.092 0.000 2.148 363 K HA -0.026 4.293 4.320 -0.000 0.000 0.204 363 K C 2.054 178.663 176.600 0.016 0.000 1.050 363 K CA 0.887 57.207 56.287 0.054 0.000 0.942 363 K CB -0.297 32.223 32.500 0.034 0.000 0.724 363 K HN 0.268 nan 8.250 nan 0.000 0.446 364 V N 1.022 120.896 119.914 -0.067 0.000 2.307 364 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 364 V C 2.183 178.179 176.094 -0.163 0.000 1.045 364 V CA 1.551 63.746 62.300 -0.174 0.000 1.024 364 V CB -0.678 30.935 31.823 -0.351 0.000 0.651 364 V HN 0.323 nan 8.190 nan 0.000 0.449 365 H N -0.368 118.697 119.070 -0.008 0.000 2.456 365 H HA -0.033 4.523 4.556 -0.000 0.000 0.296 365 H C 2.281 177.659 175.328 0.082 0.000 1.079 365 H CA 1.342 57.394 56.048 0.007 0.000 1.322 365 H CB -0.053 29.723 29.762 0.023 0.000 1.388 365 H HN 0.336 nan 8.280 nan 0.000 0.538 366 L N 0.409 121.748 121.223 0.193 0.000 2.095 366 L HA -0.115 4.225 4.340 -0.000 0.000 0.204 366 L C 2.065 179.040 176.870 0.175 0.000 1.080 366 L CA 0.577 55.542 54.840 0.208 0.000 0.759 366 L CB -0.175 41.977 42.059 0.155 0.000 0.914 366 L HN 0.189 nan 8.230 nan 0.000 0.439 367 N N -0.180 118.575 118.700 0.091 0.000 2.188 367 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 367 N C 1.819 177.357 175.510 0.047 0.000 1.018 367 N CA 1.088 54.168 53.050 0.050 0.000 0.858 367 N CB -0.250 38.246 38.487 0.015 0.000 0.989 367 N HN 0.124 nan 8.380 nan 0.000 0.426 368 V N 0.688 120.637 119.914 0.059 0.000 2.323 368 V HA -0.200 3.920 4.120 -0.000 0.000 0.244 368 V C 2.093 178.247 176.094 0.100 0.000 1.041 368 V CA 1.201 63.535 62.300 0.057 0.000 1.025 368 V CB -0.777 31.069 31.823 0.038 0.000 0.656 368 V HN 0.227 nan 8.190 nan 0.000 0.451 369 Y N 1.588 121.912 120.300 0.039 0.000 2.128 369 Y HA -0.284 4.266 4.550 -0.000 0.000 0.284 369 Y C 2.627 178.551 175.900 0.039 0.000 1.154 369 Y CA 2.306 60.435 58.100 0.049 0.000 1.149 369 Y CB -0.870 37.630 38.460 0.067 0.000 0.976 369 Y HN 0.188 nan 8.280 nan 0.000 0.505 370 T N 0.918 115.390 114.554 -0.138 0.000 2.684 370 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 370 T C 2.079 176.682 174.700 -0.162 0.000 1.036 370 T CA 1.722 63.691 62.100 -0.218 0.000 1.148 370 T CB -0.827 68.012 68.868 -0.049 0.000 0.863 370 T HN 0.531 nan 8.240 nan 0.000 0.436 371 A N 0.980 123.757 122.820 -0.072 0.000 1.835 371 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 371 A C 2.544 180.100 177.584 -0.048 0.000 1.199 371 A CA 1.761 53.773 52.037 -0.041 0.000 0.615 371 A CB -1.203 17.795 19.000 -0.003 0.000 0.838 371 A HN 0.331 nan 8.150 nan 0.000 0.444 372 V N 0.394 120.290 119.914 -0.031 0.000 2.439 372 V HA -0.328 3.792 4.120 -0.000 0.000 0.253 372 V C 2.504 178.566 176.094 -0.053 0.000 1.074 372 V CA 2.567 64.859 62.300 -0.013 0.000 1.076 372 V CB -0.808 31.028 31.823 0.021 0.000 0.664 372 V HN 0.625 nan 8.190 nan 0.000 0.461 373 K N 0.222 120.533 120.400 -0.148 0.000 1.973 373 K HA -0.115 4.205 4.320 -0.000 0.000 0.210 373 K C 2.236 178.770 176.600 -0.111 0.000 1.045 373 K CA 1.577 57.754 56.287 -0.182 0.000 0.937 373 K CB -0.708 31.547 32.500 -0.409 0.000 0.721 373 K HN 0.485 nan 8.250 nan 0.000 0.438 374 G N 0.687 109.421 108.800 -0.111 0.000 2.448 374 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.219 374 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.219 374 G C 0.551 175.428 174.900 -0.038 0.000 1.127 374 G CA 0.451 45.511 45.100 -0.067 0.000 0.766 374 G HN 0.283 nan 8.290 nan 0.000 0.552 375 S N 0.084 115.766 115.700 -0.030 0.000 2.612 375 S HA 0.497 4.967 4.470 -0.000 0.000 0.253 375 S C 0.954 175.552 174.600 -0.004 0.000 1.346 375 S CA -0.217 57.978 58.200 -0.009 0.000 0.976 375 S CB 0.753 63.957 63.200 0.007 0.000 0.949 375 S HN 0.613 nan 8.310 nan 0.000 0.584 376 A N 0.000 122.823 122.820 0.006 0.000 2.254 376 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 376 A CA 0.000 52.042 52.037 0.009 0.000 0.836 376 A CB 0.000 19.006 19.000 0.010 0.000 0.831 376 A HN 0.000 nan 8.150 nan 0.000 0.486