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 2ww9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSGFRLIDIV KPILPILPEV ELPFEKLPFD DKIVYTIFAG LIYLFAQFPL DATA SEQUENCE VGLPKATTPN VNDPIYFLRG VFGCEPRTLL EFGLFPNISS GLILQLLAGL DATA SEQUENCE KVIKVNFKIQ SDRELFQSLT KVFAIVQYVI LTNIFIFAGY FGDDLSVVQI DATA SEQUENCE GLINFQLVGA GIFTTLLAEV IDKGFGFSSG AMIINTVVIA TNLVADTFGV DATA SEQUENCE SQIKVGEDDQ TEAQGALINL IQGLRSKHKT FIGGIISAFN RDYLPNLTTT DATA SEQUENCE IIVLAIAIIV CYLQSVRVEL PIRSTRARGT NNVYPIKLLY TGCLSVLFSY DATA SEQUENCE TILFYIHIFA FVLIQLVAKN EPTHIICKIM GHYENANNLL AVPTFPLSLL DATA SEQUENCE APPTSFFKGV TQQPLTFITY SAFILVTGIW FADKWQAISG SSARDVALEF DATA SEQUENCE KDQGITLMGR REQNVAKELN KVIPIAAVTG ASVLSLITVI GESLGLKGKA DATA SEQUENCE AGIVVGIAGG FSLLEVITIE YQQSGGQSAL NQVLGVPGAM 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 S N -0.403 115.299 115.700 0.004 0.000 3.627 2 S HA 0.838 5.307 4.470 -0.000 0.000 0.190 2 S C 0.945 175.551 174.600 0.011 0.000 0.880 2 S CA 0.450 58.651 58.200 0.003 0.000 0.894 2 S CB 0.021 63.231 63.200 0.017 0.000 1.095 2 S HN 1.755 nan 8.310 nan 0.000 0.655 3 G N 2.013 110.840 108.800 0.044 0.000 2.569 3 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.259 3 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.259 3 G C -0.597 174.389 174.900 0.145 0.000 1.263 3 G CA 0.212 45.359 45.100 0.079 0.000 0.928 3 G HN 1.145 nan 8.290 nan 0.000 0.572 4 F N 2.021 121.970 119.950 -0.002 0.000 2.716 4 F HA 0.769 5.296 4.527 -0.000 0.000 0.354 4 F C 0.105 175.904 175.800 -0.002 0.000 1.168 4 F CA -0.767 57.232 58.000 -0.002 0.000 1.045 4 F CB 0.988 39.987 39.000 -0.001 0.000 1.311 4 F HN 0.586 nan 8.300 nan 0.000 0.477 5 R N 4.326 124.594 120.500 -0.387 0.000 2.710 5 R HA 0.407 4.747 4.340 -0.000 0.000 0.270 5 R C -2.027 174.048 176.300 -0.376 0.000 1.021 5 R CA -0.939 54.991 56.100 -0.285 0.000 0.889 5 R CB 2.346 32.577 30.300 -0.115 0.000 1.243 5 R HN 0.544 nan 8.270 nan 0.000 0.464 6 L N 5.199 126.262 121.223 -0.266 0.000 2.270 6 L HA 0.523 4.863 4.340 -0.000 0.000 0.286 6 L C -0.372 176.420 176.870 -0.131 0.000 1.059 6 L CA 0.008 54.719 54.840 -0.214 0.000 0.839 6 L CB -0.472 41.496 42.059 -0.151 0.000 1.221 6 L HN 0.615 nan 8.230 nan 0.000 0.431 7 I N 1.637 122.135 120.570 -0.120 0.000 3.102 7 I HA 0.609 4.779 4.170 -0.000 0.000 0.310 7 I C -0.831 175.246 176.117 -0.066 0.000 1.246 7 I CA -0.719 60.535 61.300 -0.078 0.000 0.979 7 I CB 2.627 40.587 38.000 -0.067 0.000 1.267 7 I HN 0.366 nan 8.210 nan 0.000 0.451 8 D N 2.024 122.397 120.400 -0.044 0.000 2.619 8 D HA 0.202 4.842 4.640 -0.000 0.000 0.300 8 D C -0.241 176.046 176.300 -0.022 0.000 1.502 8 D CA -0.046 53.934 54.000 -0.033 0.000 0.865 8 D CB -0.026 40.757 40.800 -0.028 0.000 1.343 8 D HN 0.636 nan 8.370 nan 0.000 0.447 9 I N 1.342 121.899 120.570 -0.021 0.000 2.472 9 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 9 I C -0.581 175.527 176.117 -0.014 0.000 1.016 9 I CA -0.753 60.539 61.300 -0.012 0.000 1.348 9 I CB 1.374 39.368 38.000 -0.011 0.000 1.417 9 I HN -0.255 nan 8.210 nan 0.000 0.521 10 V N 8.666 128.575 119.914 -0.008 0.000 2.339 10 V HA 0.207 4.327 4.120 -0.000 0.000 0.261 10 V C 0.575 176.665 176.094 -0.007 0.000 1.058 10 V CA 0.037 62.330 62.300 -0.011 0.000 0.897 10 V CB 0.605 32.419 31.823 -0.015 0.000 1.052 10 V HN 0.855 nan 8.190 nan 0.000 0.480 11 K N 4.894 125.289 120.400 -0.010 0.000 2.550 11 K HA 0.233 4.552 4.320 -0.000 0.000 0.205 11 K C -0.926 175.670 176.600 -0.007 0.000 1.429 11 K CA 0.026 56.308 56.287 -0.007 0.000 0.997 11 K CB 0.592 33.086 32.500 -0.010 0.000 1.328 11 K HN 0.535 nan 8.250 nan 0.000 0.546 12 P HA 0.061 nan 4.420 nan 0.000 0.226 12 P C 1.012 178.308 177.300 -0.007 0.000 1.161 12 P CA 0.776 63.872 63.100 -0.008 0.000 0.804 12 P CB 0.301 31.996 31.700 -0.008 0.000 0.829 13 I N -0.680 119.884 120.570 -0.009 0.000 2.716 13 I HA -0.091 4.079 4.170 -0.000 0.000 0.259 13 I C 2.284 178.397 176.117 -0.007 0.000 1.172 13 I CA 0.521 61.815 61.300 -0.009 0.000 1.478 13 I CB -0.808 37.184 38.000 -0.013 0.000 1.104 13 I HN -0.160 nan 8.210 nan 0.000 0.439 14 L N 1.923 123.143 121.223 -0.006 0.000 2.046 14 L HA -0.068 4.271 4.340 -0.000 0.000 0.208 14 L C -0.493 176.377 176.870 0.000 0.000 1.077 14 L CA 2.293 57.132 54.840 -0.002 0.000 0.747 14 L CB -1.479 40.581 42.059 0.001 0.000 0.896 14 L HN 0.144 nan 8.230 nan 0.000 0.432 15 P HA 0.052 nan 4.420 nan 0.000 0.236 15 P C 1.775 179.076 177.300 0.001 0.000 1.177 15 P CA 0.994 64.095 63.100 0.002 0.000 0.773 15 P CB 0.080 31.781 31.700 0.001 0.000 0.878 16 I N -1.469 119.100 120.570 -0.000 0.000 2.928 16 I HA -0.045 4.125 4.170 -0.000 0.000 0.266 16 I C 0.683 176.801 176.117 0.002 0.000 1.234 16 I CA 0.576 61.875 61.300 -0.001 0.000 1.483 16 I CB -0.051 37.947 38.000 -0.004 0.000 1.097 16 I HN -0.134 nan 8.210 nan 0.000 0.455 17 L N 2.885 124.111 121.223 0.005 0.000 2.277 17 L HA 0.360 4.700 4.340 -0.000 0.000 0.284 17 L C -2.044 174.833 176.870 0.011 0.000 1.028 17 L CA -1.632 53.215 54.840 0.012 0.000 0.835 17 L CB 0.465 42.534 42.059 0.016 0.000 1.215 17 L HN -0.123 nan 8.230 nan 0.000 0.425 18 P HA -0.258 nan 4.420 nan 0.000 0.015 18 P C -0.333 176.979 177.300 0.020 0.000 0.540 18 P CA 1.064 64.175 63.100 0.018 0.000 1.034 18 P CB -0.377 31.340 31.700 0.028 0.000 1.906 19 E N -0.791 119.415 120.200 0.010 0.000 3.400 19 E HA 0.557 4.907 4.350 -0.000 0.000 0.416 19 E C 0.441 177.042 176.600 0.001 0.000 0.439 19 E CA -0.853 55.548 56.400 0.002 0.000 2.569 19 E CB 0.463 30.163 29.700 0.001 0.000 2.190 19 E HN 0.026 nan 8.360 nan 0.000 0.497 20 V N -3.468 116.446 119.914 -0.001 0.000 3.182 20 V HA 0.652 4.772 4.120 -0.000 0.000 0.308 20 V C -0.722 175.372 176.094 0.001 0.000 1.240 20 V CA -0.917 61.382 62.300 -0.001 0.000 1.063 20 V CB 1.647 33.468 31.823 -0.004 0.000 1.076 20 V HN 0.795 nan 8.190 nan 0.000 0.446 21 E N 0.237 120.436 120.200 -0.000 0.000 2.460 21 E HA 0.648 4.998 4.350 -0.000 0.000 0.277 21 E C -1.942 174.656 176.600 -0.003 0.000 1.010 21 E CA -0.697 55.706 56.400 0.004 0.000 0.838 21 E CB 2.735 32.443 29.700 0.014 0.000 1.448 21 E HN 0.928 nan 8.360 nan 0.000 0.462 22 L N -1.583 119.642 121.223 0.003 0.000 2.251 22 L HA 0.734 5.074 4.340 -0.000 0.000 0.244 22 L C -2.611 174.261 176.870 0.005 0.000 1.095 22 L CA -1.795 53.036 54.840 -0.015 0.000 0.910 22 L CB 0.159 42.209 42.059 -0.014 0.000 1.516 22 L HN 0.391 nan 8.230 nan 0.000 0.429 23 P HA 0.350 nan 4.420 nan 0.000 0.272 23 P C -0.435 176.911 177.300 0.076 0.000 1.230 23 P CA 0.160 63.275 63.100 0.025 0.000 0.788 23 P CB 0.877 32.513 31.700 -0.107 0.000 0.949 24 F N -2.034 117.869 119.950 -0.078 0.000 2.183 24 F HA -0.205 4.322 4.527 -0.000 0.000 0.318 24 F C 0.670 176.423 175.800 -0.079 0.000 0.759 24 F CA 0.398 58.344 58.000 -0.091 0.000 0.912 24 F CB -0.625 38.297 39.000 -0.129 0.000 4.135 24 F HN 0.339 nan 8.300 nan 0.000 0.137 25 E N 2.114 122.483 120.200 0.282 0.000 2.398 25 E HA 0.249 4.599 4.350 -0.000 0.000 0.263 25 E C -0.324 176.415 176.600 0.232 0.000 1.046 25 E CA 0.054 56.570 56.400 0.194 0.000 0.908 25 E CB 0.795 30.650 29.700 0.259 0.000 0.963 25 E HN 0.434 nan 8.360 nan 0.000 0.431 26 K N 1.267 121.814 120.400 0.245 0.000 2.556 26 K HA 0.612 4.932 4.320 -0.000 0.000 0.274 26 K C -1.157 175.565 176.600 0.203 0.000 0.966 26 K CA -0.768 55.707 56.287 0.313 0.000 0.865 26 K CB 1.511 34.142 32.500 0.218 0.000 1.444 26 K HN 0.408 nan 8.250 nan 0.000 0.433 27 L N 0.604 121.925 121.223 0.162 0.000 2.582 27 L HA 0.564 4.904 4.340 -0.000 0.000 0.257 27 L C -2.737 174.125 176.870 -0.014 0.000 0.974 27 L CA -1.543 53.345 54.840 0.081 0.000 0.851 27 L CB 3.338 45.457 42.059 0.099 0.000 1.424 27 L HN 0.660 nan 8.230 nan 0.000 0.412 28 P HA 0.337 nan 4.420 nan 0.000 0.295 28 P C -0.190 177.166 177.300 0.094 0.000 1.303 28 P CA -0.491 62.589 63.100 -0.034 0.000 0.907 28 P CB 1.858 33.573 31.700 0.024 0.000 1.322 29 F N 0.202 120.172 119.950 0.033 0.000 2.374 29 F HA 0.033 4.560 4.527 -0.000 0.000 0.291 29 F C 1.713 177.564 175.800 0.084 0.000 1.084 29 F CA 1.296 59.370 58.000 0.122 0.000 1.413 29 F CB -0.201 38.897 39.000 0.163 0.000 1.099 29 F HN 0.075 nan 8.300 nan 0.000 0.534 30 D N 0.423 120.981 120.400 0.263 0.000 2.117 30 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 30 D C 1.394 177.635 176.300 -0.098 0.000 0.987 30 D CA 1.771 55.846 54.000 0.126 0.000 0.829 30 D CB -0.285 40.558 40.800 0.072 0.000 0.961 30 D HN 0.360 nan 8.370 nan 0.000 0.460 31 D N 0.719 121.000 120.400 -0.197 0.000 2.117 31 D HA -0.074 4.566 4.640 -0.000 0.000 0.198 31 D C 2.017 177.952 176.300 -0.610 0.000 0.982 31 D CA 0.842 54.538 54.000 -0.506 0.000 0.828 31 D CB 0.057 40.668 40.800 -0.314 0.000 0.967 31 D HN 0.082 nan 8.370 nan 0.000 0.464 32 K N 0.155 120.328 120.400 -0.377 0.000 2.057 32 K HA -0.085 4.234 4.320 -0.000 0.000 0.207 32 K C 2.215 178.659 176.600 -0.261 0.000 1.049 32 K CA 1.084 57.113 56.287 -0.430 0.000 0.931 32 K CB -0.164 31.780 32.500 -0.926 0.000 0.714 32 K HN 0.331 nan 8.250 nan 0.000 0.440 33 I N -2.229 118.254 120.570 -0.145 0.000 2.439 33 I HA -0.160 4.010 4.170 -0.000 0.000 0.251 33 I C 1.899 177.996 176.117 -0.033 0.000 1.139 33 I CA 0.945 62.243 61.300 -0.005 0.000 1.438 33 I CB -0.424 37.608 38.000 0.053 0.000 1.085 33 I HN -0.185 nan 8.210 nan 0.000 0.427 34 V N 0.853 120.681 119.914 -0.143 0.000 2.358 34 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 34 V C 2.437 178.516 176.094 -0.026 0.000 1.047 34 V CA 1.828 64.056 62.300 -0.120 0.000 1.035 34 V CB -0.888 30.789 31.823 -0.244 0.000 0.658 34 V HN 0.376 nan 8.190 nan 0.000 0.452 35 Y N -0.234 119.985 120.300 -0.135 0.000 2.395 35 Y HA -0.073 4.477 4.550 -0.000 0.000 0.293 35 Y C 2.783 178.661 175.900 -0.037 0.000 1.123 35 Y CA 1.206 59.167 58.100 -0.232 0.000 1.227 35 Y CB -1.103 36.775 38.460 -0.970 0.000 1.012 35 Y HN 0.165 nan 8.280 nan 0.000 0.552 36 T N -0.045 114.576 114.554 0.112 0.000 2.942 36 T HA -0.073 4.276 4.350 -0.000 0.000 0.265 36 T C 2.034 176.822 174.700 0.147 0.000 1.062 36 T CA 0.788 62.967 62.100 0.131 0.000 1.139 36 T CB -0.374 68.558 68.868 0.106 0.000 0.883 36 T HN 0.364 nan 8.240 nan 0.000 0.468 37 I N -0.303 120.344 120.570 0.130 0.000 2.439 37 I HA -0.010 4.159 4.170 -0.000 0.000 0.251 37 I C 1.816 178.003 176.117 0.117 0.000 1.139 37 I CA 1.014 62.373 61.300 0.098 0.000 1.438 37 I CB -0.159 37.874 38.000 0.056 0.000 1.085 37 I HN 0.247 nan 8.210 nan 0.000 0.427 38 F N 1.407 121.428 119.950 0.118 0.000 2.186 38 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 38 F C 2.443 178.366 175.800 0.205 0.000 1.090 38 F CA 1.503 59.603 58.000 0.166 0.000 1.307 38 F CB -0.390 38.743 39.000 0.223 0.000 1.019 38 F HN 0.094 nan 8.300 nan 0.000 0.489 39 A N -0.323 122.754 122.820 0.429 0.000 1.933 39 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 39 A C 2.378 180.132 177.584 0.283 0.000 1.175 39 A CA 1.598 53.855 52.037 0.367 0.000 0.628 39 A CB -1.605 17.563 19.000 0.281 0.000 0.814 39 A HN 0.426 nan 8.150 nan 0.000 0.444 40 G N -1.191 107.728 108.800 0.197 0.000 2.813 40 G HA2 0.186 4.145 3.960 -0.000 0.000 0.209 40 G HA3 0.186 4.145 3.960 -0.000 0.000 0.209 40 G C 1.278 176.247 174.900 0.115 0.000 1.150 40 G CA 0.444 45.656 45.100 0.187 0.000 0.785 40 G HN 0.421 nan 8.290 nan 0.000 0.535 41 L N -0.240 120.969 121.223 -0.024 0.000 2.416 41 L HA 0.304 4.644 4.340 -0.000 0.000 0.216 41 L C 2.420 179.121 176.870 -0.282 0.000 1.098 41 L CA 0.112 54.788 54.840 -0.273 0.000 0.840 41 L CB 0.033 41.825 42.059 -0.445 0.000 0.981 41 L HN 0.164 nan 8.230 nan 0.000 0.462 42 I N -1.211 119.420 120.570 0.102 0.000 2.406 42 I HA -0.275 3.895 4.170 -0.000 0.000 0.249 42 I C 2.475 178.765 176.117 0.289 0.000 1.122 42 I CA 1.043 62.551 61.300 0.347 0.000 1.431 42 I CB -0.271 38.045 38.000 0.526 0.000 1.087 42 I HN 0.196 nan 8.210 nan 0.000 0.424 43 Y N 1.695 122.103 120.300 0.179 0.000 2.224 43 Y HA -0.232 4.318 4.550 -0.000 0.000 0.289 43 Y C 2.193 178.093 175.900 -0.000 0.000 1.146 43 Y CA 1.338 59.513 58.100 0.125 0.000 1.182 43 Y CB -0.228 38.282 38.460 0.084 0.000 0.983 43 Y HN 0.076 nan 8.280 nan 0.000 0.524 44 L N -0.396 120.516 121.223 -0.520 0.000 2.362 44 L HA -0.041 4.299 4.340 -0.000 0.000 0.219 44 L C 0.352 176.821 176.870 -0.669 0.000 1.134 44 L CA 1.142 55.596 54.840 -0.643 0.000 0.807 44 L CB -0.953 40.766 42.059 -0.567 0.000 0.927 44 L HN 0.127 nan 8.230 nan 0.000 0.447 45 F N -0.020 119.801 119.950 -0.216 0.000 2.705 45 F HA 0.298 4.825 4.527 -0.000 0.000 0.355 45 F C 1.477 177.179 175.800 -0.164 0.000 1.172 45 F CA 0.088 57.977 58.000 -0.185 0.000 1.332 45 F CB -1.059 37.993 39.000 0.086 0.000 1.621 45 F HN 0.097 nan 8.300 nan 0.000 0.605 46 A N 0.115 122.824 122.820 -0.185 0.000 2.387 46 A HA 0.088 4.408 4.320 -0.000 0.000 0.234 46 A C 1.790 179.311 177.584 -0.106 0.000 1.253 46 A CA -0.094 51.855 52.037 -0.146 0.000 0.894 46 A CB -0.229 18.604 19.000 -0.279 0.000 0.963 46 A HN 0.514 nan 8.150 nan 0.000 0.508 47 Q N -1.427 118.264 119.800 -0.182 0.000 2.408 47 Q HA 0.321 4.661 4.340 -0.000 0.000 0.205 47 Q C -0.018 175.881 176.000 -0.168 0.000 0.919 47 Q CA 0.259 55.937 55.803 -0.208 0.000 0.932 47 Q CB -0.565 27.990 28.738 -0.305 0.000 1.058 47 Q HN 0.516 nan 8.270 nan 0.000 0.517 48 F N 3.130 123.106 119.950 0.044 0.000 2.384 48 F HA 0.426 4.953 4.527 -0.000 0.000 0.338 48 F C -1.859 173.954 175.800 0.022 0.000 1.103 48 F CA -2.623 55.392 58.000 0.025 0.000 1.157 48 F CB 0.806 39.810 39.000 0.007 0.000 1.167 48 F HN -0.018 nan 8.300 nan 0.000 0.529 49 P HA 0.276 nan 4.420 nan 0.000 0.285 49 P C -1.060 176.306 177.300 0.111 0.000 1.269 49 P CA -0.590 62.593 63.100 0.138 0.000 0.844 49 P CB 1.497 33.261 31.700 0.106 0.000 1.094 50 L N -0.282 120.996 121.223 0.092 0.000 2.453 50 L HA 0.434 4.774 4.340 -0.000 0.000 0.261 50 L C -0.031 176.855 176.870 0.026 0.000 1.179 50 L CA -1.003 53.872 54.840 0.059 0.000 0.813 50 L CB 0.122 42.223 42.059 0.071 0.000 1.110 50 L HN 0.009 nan 8.230 nan 0.000 0.466 51 V N 1.473 121.388 119.914 0.002 0.000 2.655 51 V HA 0.529 4.649 4.120 -0.000 0.000 0.300 51 V C 0.868 176.942 176.094 -0.033 0.000 1.044 51 V CA 0.778 63.072 62.300 -0.010 0.000 1.095 51 V CB 0.235 32.054 31.823 -0.006 0.000 0.952 51 V HN 1.081 nan 8.190 nan 0.000 0.485 52 G N 3.794 112.578 108.800 -0.026 0.000 1.968 52 G HA2 0.150 4.110 3.960 -0.000 0.000 0.183 52 G HA3 0.150 4.110 3.960 -0.000 0.000 0.183 52 G C -0.351 174.540 174.900 -0.015 0.000 1.665 52 G CA -0.221 44.856 45.100 -0.038 0.000 1.015 52 G HN 0.968 nan 8.290 nan 0.000 0.624 53 L N 1.179 122.398 121.223 -0.007 0.000 2.156 53 L HA 0.303 4.643 4.340 -0.000 0.000 0.208 53 L C -0.092 176.781 176.870 0.004 0.000 1.095 53 L CA 1.428 56.268 54.840 0.001 0.000 0.770 53 L CB -1.297 40.762 42.059 0.001 0.000 0.914 53 L HN 0.333 nan 8.230 nan 0.000 0.439 54 P HA -0.074 nan 4.420 nan 0.000 0.224 54 P C 1.075 178.383 177.300 0.013 0.000 1.157 54 P CA 1.341 64.446 63.100 0.007 0.000 0.799 54 P CB 0.057 31.761 31.700 0.007 0.000 0.809 55 K N 0.297 120.707 120.400 0.018 0.000 2.155 55 K HA 0.134 4.454 4.320 -0.000 0.000 0.203 55 K C 2.205 178.825 176.600 0.034 0.000 1.052 55 K CA 1.216 57.525 56.287 0.036 0.000 0.948 55 K CB -0.937 31.605 32.500 0.070 0.000 0.728 55 K HN -0.092 nan 8.250 nan 0.000 0.448 56 A N 1.826 124.662 122.820 0.028 0.000 2.066 56 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 56 A C 2.090 179.687 177.584 0.022 0.000 1.157 56 A CA 1.542 53.597 52.037 0.030 0.000 0.670 56 A CB -0.774 18.242 19.000 0.028 0.000 0.804 56 A HN 0.562 nan 8.150 nan 0.000 0.453 57 T N -3.138 111.425 114.554 0.016 0.000 3.311 57 T HA -0.016 4.334 4.350 -0.000 0.000 0.202 57 T C 1.753 176.459 174.700 0.010 0.000 0.880 57 T CA 1.498 63.606 62.100 0.013 0.000 2.029 57 T CB -1.176 67.698 68.868 0.010 0.000 1.693 57 T HN 0.152 nan 8.240 nan 0.000 0.438 58 T N 3.099 117.657 114.554 0.008 0.000 2.708 58 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 58 T C -0.202 174.499 174.700 0.001 0.000 1.037 58 T CA 1.393 63.496 62.100 0.005 0.000 1.146 58 T CB -1.299 67.572 68.868 0.005 0.000 0.865 58 T HN 0.543 nan 8.240 nan 0.000 0.435 59 P HA 0.190 nan 4.420 nan 0.000 0.226 59 P C 0.386 177.674 177.300 -0.021 0.000 1.161 59 P CA 0.737 63.828 63.100 -0.015 0.000 0.804 59 P CB -0.111 31.576 31.700 -0.022 0.000 0.829 60 N N -1.140 117.555 118.700 -0.009 0.000 2.850 60 N HA -0.165 4.574 4.740 -0.000 0.000 0.249 60 N C -0.733 174.764 175.510 -0.021 0.000 1.060 60 N CA 0.790 53.838 53.050 -0.004 0.000 0.825 60 N CB -1.789 36.697 38.487 -0.001 0.000 1.132 60 N HN -0.061 nan 8.380 nan 0.000 0.564 61 V N -2.489 117.398 119.914 -0.045 0.000 3.547 61 V HA -0.326 3.793 4.120 -0.000 0.000 0.507 61 V C 0.606 176.551 176.094 -0.248 0.000 0.682 61 V CA 0.644 62.858 62.300 -0.144 0.000 2.059 61 V CB -0.864 30.900 31.823 -0.099 0.000 2.485 61 V HN 0.604 nan 8.190 nan 0.000 0.509 62 N N 2.102 120.536 118.700 -0.444 0.000 2.354 62 N HA 0.263 5.003 4.740 -0.000 0.000 0.246 62 N C -0.245 175.069 175.510 -0.327 0.000 1.285 62 N CA -0.179 52.653 53.050 -0.362 0.000 0.925 62 N CB 0.225 38.495 38.487 -0.362 0.000 1.174 62 N HN 0.802 nan 8.380 nan 0.000 0.478 63 D N 1.298 121.620 120.400 -0.130 0.000 2.515 63 D HA -0.023 4.617 4.640 -0.000 0.000 0.232 63 D C -2.048 174.236 176.300 -0.027 0.000 1.157 63 D CA -0.060 53.920 54.000 -0.034 0.000 0.871 63 D CB 0.005 40.835 40.800 0.049 0.000 1.200 63 D HN 0.335 nan 8.370 nan 0.000 0.466 64 P HA 0.146 nan 4.420 nan 0.000 0.275 64 P C -0.123 176.857 177.300 -0.533 0.000 1.227 64 P CA -0.292 62.597 63.100 -0.352 0.000 0.781 64 P CB 0.559 31.883 31.700 -0.626 0.000 0.906 65 I N 0.301 120.478 120.570 -0.655 0.000 2.307 65 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 65 I C -0.848 174.674 176.117 -0.991 0.000 1.021 65 I CA -0.952 59.819 61.300 -0.881 0.000 1.224 65 I CB 0.222 37.503 38.000 -1.199 0.000 1.376 65 I HN 0.145 nan 8.210 nan 0.000 0.470 66 Y N 8.321 128.393 120.300 -0.380 0.000 2.921 66 Y HA 0.385 4.935 4.550 -0.000 0.000 0.346 66 Y C 0.057 175.949 175.900 -0.013 0.000 1.182 66 Y CA -0.950 57.057 58.100 -0.155 0.000 1.319 66 Y CB -0.033 38.493 38.460 0.110 0.000 1.403 66 Y HN 0.794 nan 8.280 nan 0.000 0.554 67 F N -4.108 115.719 119.950 -0.206 0.000 1.982 67 F HA 0.101 4.627 4.527 -0.000 0.000 0.353 67 F C 0.608 175.967 175.800 -0.735 0.000 0.954 67 F CA -0.248 57.569 58.000 -0.305 0.000 1.114 67 F CB -0.235 38.470 39.000 -0.493 0.000 1.407 67 F HN -0.060 nan 8.300 nan 0.000 0.526 68 L N 1.246 121.688 121.223 -1.302 0.000 2.156 68 L HA 0.088 4.427 4.340 -0.000 0.000 0.208 68 L C 2.659 178.798 176.870 -1.218 0.000 1.095 68 L CA 1.454 55.298 54.840 -1.660 0.000 0.770 68 L CB -0.512 40.244 42.059 -2.171 0.000 0.914 68 L HN 0.272 nan 8.230 nan 0.000 0.439 69 R N 0.580 120.592 120.500 -0.815 0.000 2.105 69 R HA -0.150 4.189 4.340 -0.000 0.000 0.239 69 R C 2.185 178.359 176.300 -0.212 0.000 1.135 69 R CA 1.648 57.450 56.100 -0.496 0.000 0.967 69 R CB -0.315 29.791 30.300 -0.324 0.000 0.861 69 R HN 0.362 nan 8.270 nan 0.000 0.442 70 G N -0.643 108.106 108.800 -0.085 0.000 2.411 70 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.213 70 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.213 70 G C 1.273 176.259 174.900 0.144 0.000 1.166 70 G CA 0.406 45.547 45.100 0.068 0.000 0.802 70 G HN 0.261 nan 8.290 nan 0.000 0.533 71 V N -0.077 119.952 119.914 0.191 0.000 2.591 71 V HA 0.062 4.182 4.120 -0.000 0.000 0.249 71 V C 2.412 178.677 176.094 0.284 0.000 1.053 71 V CA 1.160 63.640 62.300 0.299 0.000 1.068 71 V CB -0.463 31.569 31.823 0.348 0.000 0.689 71 V HN 0.250 nan 8.190 nan 0.000 0.462 72 F N 1.570 121.437 119.950 -0.137 0.000 2.113 72 F HA 0.227 4.754 4.527 -0.000 0.000 0.297 72 F C 2.022 177.809 175.800 -0.021 0.000 1.103 72 F CA 1.178 59.108 58.000 -0.116 0.000 1.248 72 F CB -1.053 37.745 39.000 -0.338 0.000 0.999 72 F HN 0.330 nan 8.300 nan 0.000 0.475 73 G N -0.465 108.435 108.800 0.168 0.000 2.248 73 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.252 73 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.252 73 G C 0.229 175.206 174.900 0.128 0.000 1.085 73 G CA -0.014 45.146 45.100 0.099 0.000 0.845 73 G HN 0.695 nan 8.290 nan 0.000 0.494 74 C N -2.590 116.760 119.300 0.085 0.000 3.462 74 C HA 1.048 5.508 4.460 -0.000 0.000 0.298 74 C C -0.020 174.969 174.990 -0.000 0.000 3.205 74 C CA -0.739 58.307 59.018 0.047 0.000 1.845 74 C CB 2.113 29.826 27.740 -0.046 0.000 3.397 74 C HN 0.717 nan 8.230 nan 0.000 0.473 75 E N 0.407 120.550 120.200 -0.094 0.000 3.097 75 E HA 0.333 4.683 4.350 -0.000 0.000 0.325 75 E C -3.082 173.438 176.600 -0.133 0.000 1.093 75 E CA -0.271 56.076 56.400 -0.088 0.000 0.893 75 E CB 1.935 31.622 29.700 -0.021 0.000 1.209 75 E HN 0.641 nan 8.360 nan 0.000 0.462 76 P HA 0.348 nan 4.420 nan 0.000 0.279 76 P C -0.786 176.541 177.300 0.046 0.000 1.252 76 P CA -0.206 62.845 63.100 -0.081 0.000 0.811 76 P CB 0.602 32.249 31.700 -0.087 0.000 1.035 77 R N -2.362 118.240 120.500 0.169 0.000 3.246 77 R HA -0.070 4.270 4.340 -0.000 0.000 0.260 77 R C 0.179 176.553 176.300 0.123 0.000 1.034 77 R CA 0.749 56.958 56.100 0.183 0.000 0.691 77 R CB -2.647 27.733 30.300 0.133 0.000 1.186 77 R HN 0.745 nan 8.270 nan 0.000 0.416 78 T N -1.689 112.936 114.554 0.117 0.000 2.661 78 T HA 0.373 4.723 4.350 -0.000 0.000 0.305 78 T C 0.493 175.254 174.700 0.101 0.000 1.441 78 T CA -0.885 61.274 62.100 0.098 0.000 0.999 78 T CB 0.904 69.810 68.868 0.063 0.000 1.650 78 T HN 0.008 nan 8.240 nan 0.000 0.489 79 L N 1.524 122.812 121.223 0.109 0.000 2.083 79 L HA 0.086 4.425 4.340 -0.000 0.000 0.209 79 L C 1.662 178.610 176.870 0.130 0.000 1.083 79 L CA 1.595 56.503 54.840 0.112 0.000 0.752 79 L CB -1.280 40.854 42.059 0.126 0.000 0.899 79 L HN 0.603 nan 8.230 nan 0.000 0.433 80 L N -2.372 118.927 121.223 0.126 0.000 3.096 80 L HA 0.359 4.699 4.340 -0.000 0.000 0.247 80 L C 1.024 177.938 176.870 0.074 0.000 1.321 80 L CA 0.043 54.982 54.840 0.166 0.000 1.044 80 L CB -0.491 41.708 42.059 0.233 0.000 1.434 80 L HN 0.165 nan 8.230 nan 0.000 0.533 81 E N -0.197 119.951 120.200 -0.086 0.000 2.418 81 E HA -0.021 4.328 4.350 -0.000 0.000 0.197 81 E C 0.864 177.132 176.600 -0.554 0.000 1.026 81 E CA 1.131 57.301 56.400 -0.383 0.000 0.862 81 E CB 0.036 29.360 29.700 -0.627 0.000 0.799 81 E HN 0.601 nan 8.360 nan 0.000 0.518 82 F N -0.368 119.609 119.950 0.044 0.000 2.602 82 F HA 0.211 4.738 4.527 -0.000 0.000 0.284 82 F C 1.816 177.614 175.800 -0.003 0.000 1.111 82 F CA 0.199 58.191 58.000 -0.013 0.000 1.405 82 F CB 0.208 39.135 39.000 -0.122 0.000 1.121 82 F HN 0.052 nan 8.300 nan 0.000 0.603 83 G N 1.576 110.552 108.800 0.293 0.000 2.634 83 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.309 83 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.309 83 G C 0.850 175.855 174.900 0.175 0.000 1.265 83 G CA 0.553 45.791 45.100 0.230 0.000 0.998 83 G HN 0.233 nan 8.290 nan 0.000 0.551 84 L N -0.019 121.273 121.223 0.114 0.000 2.478 84 L HA 0.194 4.534 4.340 -0.000 0.000 0.223 84 L C 2.563 179.454 176.870 0.035 0.000 1.140 84 L CA 0.681 55.572 54.840 0.084 0.000 0.842 84 L CB -0.331 41.787 42.059 0.099 0.000 0.953 84 L HN 0.442 nan 8.230 nan 0.000 0.452 85 F N 2.571 122.339 119.950 -0.304 0.000 2.120 85 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 85 F C -0.412 175.226 175.800 -0.270 0.000 1.095 85 F CA 1.475 59.192 58.000 -0.472 0.000 1.249 85 F CB -1.093 37.072 39.000 -1.392 0.000 0.995 85 F HN 0.098 nan 8.300 nan 0.000 0.480 86 P HA -0.068 nan 4.420 nan 0.000 0.226 86 P C 0.965 178.141 177.300 -0.207 0.000 1.161 86 P CA 1.340 64.223 63.100 -0.361 0.000 0.804 86 P CB -0.167 31.153 31.700 -0.634 0.000 0.829 87 N N 0.057 118.694 118.700 -0.106 0.000 2.171 87 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 87 N C 1.836 177.340 175.510 -0.009 0.000 1.021 87 N CA 0.577 53.620 53.050 -0.011 0.000 0.854 87 N CB -0.613 37.907 38.487 0.055 0.000 0.994 87 N HN -0.027 nan 8.380 nan 0.000 0.426 88 I N -0.646 119.923 120.570 -0.000 0.000 2.353 88 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 88 I C 2.075 178.155 176.117 -0.061 0.000 1.119 88 I CA 0.775 62.106 61.300 0.052 0.000 1.417 88 I CB -0.210 37.875 38.000 0.141 0.000 1.078 88 I HN 0.160 nan 8.210 nan 0.000 0.421 89 S N 0.221 115.810 115.700 -0.185 0.000 2.383 89 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 89 S C 2.218 176.643 174.600 -0.291 0.000 1.026 89 S CA 1.772 59.760 58.200 -0.353 0.000 0.981 89 S CB -0.363 62.469 63.200 -0.612 0.000 0.818 89 S HN 0.734 nan 8.310 nan 0.000 0.472 90 S N 0.489 116.079 115.700 -0.184 0.000 2.402 90 S HA 0.042 4.512 4.470 -0.000 0.000 0.229 90 S C 2.068 176.568 174.600 -0.167 0.000 1.021 90 S CA 1.086 59.219 58.200 -0.113 0.000 0.974 90 S CB -1.218 61.971 63.200 -0.018 0.000 0.800 90 S HN 0.564 nan 8.310 nan 0.000 0.484 91 G N 1.514 110.223 108.800 -0.152 0.000 2.422 91 G HA2 0.014 3.973 3.960 -0.000 0.000 0.218 91 G HA3 0.014 3.973 3.960 -0.000 0.000 0.218 91 G C 1.307 175.997 174.900 -0.351 0.000 1.140 91 G CA 0.681 45.688 45.100 -0.156 0.000 0.775 91 G HN 0.445 nan 8.290 nan 0.000 0.545 92 L N 0.426 121.387 121.223 -0.436 0.000 2.056 92 L HA 0.114 4.454 4.340 -0.000 0.000 0.207 92 L C 2.741 179.514 176.870 -0.162 0.000 1.078 92 L CA 1.016 55.582 54.840 -0.457 0.000 0.749 92 L CB -0.315 41.573 42.059 -0.284 0.000 0.901 92 L HN 0.186 nan 8.230 nan 0.000 0.433 93 I N -1.229 119.252 120.570 -0.148 0.000 2.252 93 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 93 I C 1.997 178.082 176.117 -0.053 0.000 1.102 93 I CA 1.255 62.511 61.300 -0.074 0.000 1.385 93 I CB -0.157 37.800 38.000 -0.072 0.000 1.064 93 I HN 0.181 nan 8.210 nan 0.000 0.414 94 L N -0.327 120.829 121.223 -0.111 0.000 2.446 94 L HA -0.047 4.293 4.340 -0.000 0.000 0.219 94 L C 2.386 179.372 176.870 0.194 0.000 1.116 94 L CA 0.277 55.074 54.840 -0.071 0.000 0.844 94 L CB -0.275 41.501 42.059 -0.471 0.000 0.970 94 L HN 0.197 nan 8.230 nan 0.000 0.457 95 Q N 0.688 120.562 119.800 0.124 0.000 2.123 95 Q HA -0.181 4.159 4.340 -0.000 0.000 0.199 95 Q C 2.036 178.125 176.000 0.148 0.000 0.966 95 Q CA 1.502 57.395 55.803 0.150 0.000 0.845 95 Q CB -0.091 28.630 28.738 -0.029 0.000 0.907 95 Q HN 0.357 nan 8.270 nan 0.000 0.439 96 L N -0.506 120.807 121.223 0.150 0.000 2.072 96 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 96 L C 1.852 178.777 176.870 0.092 0.000 1.079 96 L CA 1.582 56.514 54.840 0.153 0.000 0.752 96 L CB -0.401 41.777 42.059 0.199 0.000 0.906 96 L HN 0.341 nan 8.230 nan 0.000 0.436 97 L N -0.743 120.530 121.223 0.084 0.000 2.072 97 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 97 L C 2.458 179.372 176.870 0.073 0.000 1.079 97 L CA 1.104 55.985 54.840 0.068 0.000 0.752 97 L CB -0.726 41.361 42.059 0.046 0.000 0.906 97 L HN 0.328 nan 8.230 nan 0.000 0.436 98 A N -0.558 122.333 122.820 0.119 0.000 2.169 98 A HA 0.124 4.443 4.320 -0.000 0.000 0.212 98 A C 2.115 179.714 177.584 0.025 0.000 1.153 98 A CA 1.023 53.133 52.037 0.121 0.000 0.756 98 A CB -0.467 18.680 19.000 0.246 0.000 0.813 98 A HN 0.411 nan 8.150 nan 0.000 0.471 99 G N -1.265 107.523 108.800 -0.020 0.000 2.921 99 G HA2 0.229 4.189 3.960 -0.000 0.000 0.213 99 G HA3 0.229 4.189 3.960 -0.000 0.000 0.213 99 G C 1.128 175.905 174.900 -0.205 0.000 1.143 99 G CA 0.590 45.614 45.100 -0.126 0.000 0.764 99 G HN 0.374 nan 8.290 nan 0.000 0.542 100 L N -0.317 120.836 121.223 -0.117 0.000 2.446 100 L HA 0.404 4.744 4.340 -0.000 0.000 0.219 100 L C 0.970 177.813 176.870 -0.045 0.000 1.116 100 L CA 0.662 55.450 54.840 -0.087 0.000 0.844 100 L CB -0.034 42.043 42.059 0.030 0.000 0.970 100 L HN 0.118 nan 8.230 nan 0.000 0.457 101 K N -2.239 118.143 120.400 -0.029 0.000 3.251 101 K HA -0.183 4.137 4.320 -0.000 0.000 0.282 101 K C 0.903 177.506 176.600 0.005 0.000 1.201 101 K CA 0.748 57.028 56.287 -0.012 0.000 0.827 101 K CB -2.648 29.837 32.500 -0.026 0.000 1.286 101 K HN 0.226 nan 8.250 nan 0.000 0.503 102 V N -0.150 119.774 119.914 0.017 0.000 2.488 102 V HA 0.131 4.251 4.120 -0.000 0.000 0.246 102 V C 0.601 176.706 176.094 0.019 0.000 1.046 102 V CA 1.374 63.687 62.300 0.021 0.000 1.053 102 V CB 0.131 31.972 31.823 0.030 0.000 0.679 102 V HN 0.345 nan 8.190 nan 0.000 0.458 103 I N 1.420 122.005 120.570 0.026 0.000 2.382 103 I HA 0.386 4.556 4.170 -0.000 0.000 0.285 103 I C -0.613 175.525 176.117 0.034 0.000 1.007 103 I CA -0.469 60.845 61.300 0.024 0.000 1.142 103 I CB 1.516 39.531 38.000 0.025 0.000 1.289 103 I HN 0.048 nan 8.210 nan 0.000 0.453 104 K N 5.368 125.777 120.400 0.015 0.000 2.185 104 K HA 0.738 5.058 4.320 -0.000 0.000 0.269 104 K C -1.040 175.555 176.600 -0.008 0.000 0.987 104 K CA -0.526 55.770 56.287 0.016 0.000 0.865 104 K CB 2.330 34.831 32.500 0.002 0.000 1.090 104 K HN 0.265 nan 8.250 nan 0.000 0.450 105 V N 2.358 122.271 119.914 -0.002 0.000 2.808 105 V HA 0.282 4.402 4.120 -0.000 0.000 0.308 105 V C -1.177 174.867 176.094 -0.083 0.000 1.099 105 V CA -1.042 61.175 62.300 -0.139 0.000 0.920 105 V CB 2.171 33.799 31.823 -0.326 0.000 1.014 105 V HN 0.714 nan 8.190 nan 0.000 0.425 106 N N 2.237 120.847 118.700 -0.150 0.000 2.446 106 N HA 0.467 5.207 4.740 -0.000 0.000 0.265 106 N C -0.331 175.109 175.510 -0.117 0.000 0.975 106 N CA -0.510 52.519 53.050 -0.035 0.000 0.928 106 N CB 1.172 39.638 38.487 -0.035 0.000 1.160 106 N HN 0.499 nan 8.380 nan 0.000 0.495 107 F N 1.830 121.698 119.950 -0.137 0.000 2.727 107 F HA 0.189 4.716 4.527 -0.000 0.000 0.302 107 F C 1.851 177.581 175.800 -0.118 0.000 1.097 107 F CA 0.158 58.063 58.000 -0.160 0.000 1.330 107 F CB 0.460 39.314 39.000 -0.245 0.000 1.084 107 F HN 0.554 nan 8.300 nan 0.000 0.578 108 K N 0.276 120.708 120.400 0.054 0.000 2.374 108 K HA 0.224 4.544 4.320 -0.000 0.000 0.196 108 K C 0.357 176.952 176.600 -0.009 0.000 1.023 108 K CA 0.233 56.531 56.287 0.019 0.000 1.103 108 K CB 0.200 32.707 32.500 0.012 0.000 0.848 108 K HN 0.180 nan 8.250 nan 0.000 0.528 109 I N 2.287 122.836 120.570 -0.035 0.000 2.519 109 I HA 0.015 4.185 4.170 -0.000 0.000 0.287 109 I C 1.431 177.514 176.117 -0.056 0.000 1.047 109 I CA -0.462 60.808 61.300 -0.050 0.000 1.381 109 I CB 1.528 39.487 38.000 -0.069 0.000 1.417 109 I HN 0.082 nan 8.210 nan 0.000 0.540 110 Q N 3.704 123.479 119.800 -0.041 0.000 2.050 110 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 110 Q C 2.094 178.065 176.000 -0.047 0.000 0.980 110 Q CA 2.572 58.355 55.803 -0.033 0.000 0.840 110 Q CB -0.047 28.677 28.738 -0.023 0.000 0.898 110 Q HN 0.853 nan 8.270 nan 0.000 0.424 111 S N 0.573 116.239 115.700 -0.056 0.000 2.368 111 S HA -0.147 4.322 4.470 -0.000 0.000 0.225 111 S C 1.295 175.849 174.600 -0.076 0.000 1.030 111 S CA 1.341 59.507 58.200 -0.056 0.000 0.999 111 S CB -0.479 62.689 63.200 -0.053 0.000 0.844 111 S HN 0.685 nan 8.310 nan 0.000 0.459 112 D N 0.215 120.541 120.400 -0.124 0.000 2.369 112 D HA 0.087 4.727 4.640 -0.000 0.000 0.211 112 D C 1.770 177.910 176.300 -0.267 0.000 1.077 112 D CA -0.181 53.714 54.000 -0.176 0.000 0.842 112 D CB -0.105 40.570 40.800 -0.209 0.000 0.947 112 D HN 0.427 nan 8.370 nan 0.000 0.509 113 R N 0.985 121.361 120.500 -0.206 0.000 2.080 113 R HA -0.059 4.281 4.340 -0.000 0.000 0.222 113 R C 1.638 177.944 176.300 0.009 0.000 1.107 113 R CA 0.718 56.731 56.100 -0.145 0.000 0.980 113 R CB 0.251 30.524 30.300 -0.044 0.000 0.879 113 R HN -0.086 nan 8.270 nan 0.000 0.439 114 E N 0.955 121.155 120.200 0.001 0.000 2.150 114 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 114 E C 1.934 178.554 176.600 0.033 0.000 0.985 114 E CA 0.599 57.017 56.400 0.029 0.000 0.814 114 E CB -0.246 29.459 29.700 0.008 0.000 0.752 114 E HN 0.226 nan 8.360 nan 0.000 0.466 115 L N 0.331 121.555 121.223 0.003 0.000 2.046 115 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 115 L C 2.195 179.074 176.870 0.015 0.000 1.077 115 L CA 1.358 56.192 54.840 -0.011 0.000 0.747 115 L CB -0.639 41.394 42.059 -0.045 0.000 0.896 115 L HN 0.015 nan 8.230 nan 0.000 0.432 116 F N -0.020 119.863 119.950 -0.111 0.000 2.102 116 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 116 F C 2.479 178.268 175.800 -0.019 0.000 1.105 116 F CA 1.934 59.892 58.000 -0.069 0.000 1.239 116 F CB -0.149 38.851 39.000 -0.000 0.000 0.991 116 F HN 0.197 nan 8.300 nan 0.000 0.474 117 Q N -0.326 119.611 119.800 0.228 0.000 2.079 117 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 117 Q C 2.441 178.457 176.000 0.028 0.000 0.974 117 Q CA 1.909 57.799 55.803 0.144 0.000 0.840 117 Q CB -0.334 28.500 28.738 0.161 0.000 0.898 117 Q HN 0.533 nan 8.270 nan 0.000 0.430 118 S N 0.764 116.472 115.700 0.013 0.000 2.383 118 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 118 S C 1.911 176.492 174.600 -0.031 0.000 1.026 118 S CA 0.653 58.852 58.200 -0.002 0.000 0.981 118 S CB -0.428 62.773 63.200 0.002 0.000 0.818 118 S HN 0.335 nan 8.310 nan 0.000 0.472 119 L N 1.488 122.650 121.223 -0.101 0.000 2.093 119 L HA -0.071 4.268 4.340 -0.000 0.000 0.208 119 L C 2.505 179.253 176.870 -0.203 0.000 1.085 119 L CA 1.593 56.324 54.840 -0.182 0.000 0.755 119 L CB -0.795 41.060 42.059 -0.340 0.000 0.904 119 L HN 0.326 nan 8.230 nan 0.000 0.435 120 T N 0.025 114.434 114.554 -0.241 0.000 2.746 120 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 120 T C 1.608 176.293 174.700 -0.024 0.000 1.039 120 T CA 1.891 63.878 62.100 -0.188 0.000 1.142 120 T CB -0.107 68.649 68.868 -0.186 0.000 0.866 120 T HN 0.394 nan 8.240 nan 0.000 0.444 121 K N 1.093 121.496 120.400 0.005 0.000 2.418 121 K HA 0.214 4.534 4.320 -0.000 0.000 0.195 121 K C 1.737 178.375 176.600 0.062 0.000 1.035 121 K CA 0.503 56.814 56.287 0.040 0.000 1.003 121 K CB -0.533 31.988 32.500 0.034 0.000 0.793 121 K HN 0.174 nan 8.250 nan 0.000 0.494 122 V N 0.111 120.077 119.914 0.088 0.000 2.446 122 V HA -0.038 4.082 4.120 -0.000 0.000 0.244 122 V C 1.456 177.646 176.094 0.160 0.000 1.039 122 V CA 1.123 63.494 62.300 0.118 0.000 1.045 122 V CB -0.533 31.376 31.823 0.144 0.000 0.681 122 V HN 0.180 nan 8.190 nan 0.000 0.459 123 F N 0.737 120.644 119.950 -0.073 0.000 2.558 123 F HA 0.148 4.674 4.527 -0.000 0.000 0.298 123 F C 2.231 177.980 175.800 -0.085 0.000 1.119 123 F CA 0.460 58.406 58.000 -0.090 0.000 1.451 123 F CB -0.754 38.167 39.000 -0.131 0.000 1.091 123 F HN 0.084 nan 8.300 nan 0.000 0.563 124 A N 0.022 122.902 122.820 0.101 0.000 1.930 124 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 124 A C 2.240 179.881 177.584 0.096 0.000 1.175 124 A CA 1.381 53.452 52.037 0.057 0.000 0.627 124 A CB -0.779 18.269 19.000 0.081 0.000 0.815 124 A HN 0.350 nan 8.150 nan 0.000 0.443 125 I N -0.669 119.956 120.570 0.091 0.000 2.584 125 I HA -0.115 4.055 4.170 -0.000 0.000 0.255 125 I C 2.122 178.252 176.117 0.022 0.000 1.145 125 I CA 0.507 61.863 61.300 0.093 0.000 1.462 125 I CB -0.082 37.940 38.000 0.037 0.000 1.102 125 I HN 0.112 nan 8.210 nan 0.000 0.433 126 V N 0.577 120.443 119.914 -0.079 0.000 2.427 126 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 126 V C 2.442 178.432 176.094 -0.172 0.000 1.051 126 V CA 1.751 63.940 62.300 -0.185 0.000 1.048 126 V CB -0.562 31.015 31.823 -0.410 0.000 0.666 126 V HN 0.397 nan 8.190 nan 0.000 0.456 127 Q N -0.783 118.921 119.800 -0.159 0.000 2.167 127 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 127 Q C 1.975 177.854 176.000 -0.202 0.000 0.970 127 Q CA 1.785 57.480 55.803 -0.179 0.000 0.855 127 Q CB -0.464 28.159 28.738 -0.193 0.000 0.911 127 Q HN 0.669 nan 8.270 nan 0.000 0.438 128 Y N -0.864 119.322 120.300 -0.190 0.000 2.181 128 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 128 Y C 2.213 177.944 175.900 -0.282 0.000 1.146 128 Y CA 1.481 59.426 58.100 -0.257 0.000 1.164 128 Y CB -0.347 38.008 38.460 -0.174 0.000 0.982 128 Y HN 0.101 nan 8.280 nan 0.000 0.515 129 V N 0.988 120.906 119.914 0.007 0.000 2.591 129 V HA -0.179 3.941 4.120 -0.000 0.000 0.249 129 V C 2.005 178.057 176.094 -0.069 0.000 1.053 129 V CA 1.773 64.062 62.300 -0.018 0.000 1.068 129 V CB -0.553 31.266 31.823 -0.006 0.000 0.689 129 V HN 0.479 nan 8.190 nan 0.000 0.462 130 I N -2.418 118.086 120.570 -0.110 0.000 2.439 130 I HA -0.111 4.059 4.170 -0.000 0.000 0.251 130 I C 2.268 178.316 176.117 -0.116 0.000 1.139 130 I CA 1.494 62.723 61.300 -0.119 0.000 1.438 130 I CB -0.554 37.371 38.000 -0.126 0.000 1.085 130 I HN 0.203 nan 8.210 nan 0.000 0.427 131 L N 0.887 122.000 121.223 -0.182 0.000 2.093 131 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 131 L C 2.768 179.508 176.870 -0.216 0.000 1.085 131 L CA 1.870 56.572 54.840 -0.230 0.000 0.755 131 L CB -0.584 41.134 42.059 -0.567 0.000 0.904 131 L HN 0.369 nan 8.230 nan 0.000 0.435 132 T N -0.698 113.701 114.554 -0.258 0.000 2.951 132 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 132 T C 1.476 176.336 174.700 0.267 0.000 1.073 132 T CA 1.497 63.632 62.100 0.058 0.000 1.134 132 T CB -0.167 68.753 68.868 0.087 0.000 0.884 132 T HN 0.426 nan 8.240 nan 0.000 0.479 133 N N 0.217 118.981 118.700 0.108 0.000 2.300 133 N HA 0.168 4.908 4.740 -0.000 0.000 0.179 133 N C 1.720 177.243 175.510 0.021 0.000 1.016 133 N CA 0.688 53.773 53.050 0.058 0.000 0.876 133 N CB 0.012 38.417 38.487 -0.137 0.000 0.979 133 N HN 0.336 nan 8.380 nan 0.000 0.432 134 I N -0.167 120.439 120.570 0.060 0.000 2.252 134 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 134 I C 1.618 177.966 176.117 0.385 0.000 1.102 134 I CA 1.018 62.405 61.300 0.146 0.000 1.385 134 I CB -0.059 38.034 38.000 0.155 0.000 1.064 134 I HN 0.132 nan 8.210 nan 0.000 0.414 135 F N 1.507 121.656 119.950 0.331 0.000 2.259 135 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 135 F C 2.184 178.198 175.800 0.357 0.000 1.088 135 F CA 1.206 59.415 58.000 0.348 0.000 1.358 135 F CB -0.148 39.158 39.000 0.511 0.000 1.040 135 F HN 0.011 nan 8.300 nan 0.000 0.505 136 I N -4.350 116.564 120.570 0.573 0.000 3.059 136 I HA -0.080 4.090 4.170 -0.000 0.000 0.270 136 I C 1.583 177.959 176.117 0.432 0.000 1.238 136 I CA 0.857 62.469 61.300 0.519 0.000 1.478 136 I CB -0.757 37.556 38.000 0.522 0.000 1.097 136 I HN -0.110 nan 8.210 nan 0.000 0.455 137 F N 2.034 122.083 119.950 0.165 0.000 2.664 137 F HA 0.332 4.858 4.527 -0.000 0.000 0.296 137 F C 2.572 178.411 175.800 0.065 0.000 1.125 137 F CA 0.327 58.393 58.000 0.109 0.000 1.444 137 F CB -0.234 38.831 39.000 0.109 0.000 1.114 137 F HN 0.095 nan 8.300 nan 0.000 0.576 138 A N -0.395 122.545 122.820 0.199 0.000 1.970 138 A HA 0.323 4.643 4.320 -0.000 0.000 0.216 138 A C 1.993 179.567 177.584 -0.016 0.000 1.170 138 A CA 1.134 53.200 52.037 0.048 0.000 0.645 138 A CB -1.027 17.924 19.000 -0.082 0.000 0.816 138 A HN 0.590 nan 8.150 nan 0.000 0.447 139 G N -2.641 106.138 108.800 -0.036 0.000 2.165 139 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.226 139 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.226 139 G C 0.412 175.214 174.900 -0.164 0.000 1.035 139 G CA 0.569 45.640 45.100 -0.048 0.000 0.744 139 G HN 0.624 nan 8.290 nan 0.000 0.501 140 Y N 0.300 120.287 120.300 -0.521 0.000 2.200 140 Y HA 0.151 4.700 4.550 -0.000 0.000 0.290 140 Y C 2.244 177.780 175.900 -0.607 0.000 1.137 140 Y CA 2.158 59.795 58.100 -0.771 0.000 1.163 140 Y CB -0.243 37.294 38.460 -1.537 0.000 0.988 140 Y HN 0.308 nan 8.280 nan 0.000 0.518 141 F N -0.470 119.338 119.950 -0.236 0.000 2.558 141 F HA 0.183 4.710 4.527 -0.000 0.000 0.298 141 F C 2.265 177.957 175.800 -0.181 0.000 1.119 141 F CA 1.094 58.976 58.000 -0.196 0.000 1.451 141 F CB -0.569 38.418 39.000 -0.021 0.000 1.091 141 F HN 0.158 nan 8.300 nan 0.000 0.563 142 G N 0.089 108.865 108.800 -0.040 0.000 2.176 142 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.253 142 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.253 142 G C -0.512 174.400 174.900 0.019 0.000 0.979 142 G CA 0.261 45.337 45.100 -0.039 0.000 0.641 142 G HN 0.424 nan 8.290 nan 0.000 0.530 143 D N 0.884 121.330 120.400 0.077 0.000 2.696 143 D HA 0.486 5.126 4.640 -0.000 0.000 0.251 143 D C -0.944 175.413 176.300 0.096 0.000 1.188 143 D CA -0.632 53.408 54.000 0.067 0.000 0.876 143 D CB 1.249 42.081 40.800 0.053 0.000 1.334 143 D HN 0.324 nan 8.370 nan 0.000 0.540 144 D N 2.345 122.780 120.400 0.058 0.000 2.278 144 D HA 0.511 5.151 4.640 -0.000 0.000 0.245 144 D C -0.194 176.125 176.300 0.032 0.000 1.052 144 D CA -0.574 53.458 54.000 0.054 0.000 0.834 144 D CB 2.072 42.879 40.800 0.011 0.000 1.194 144 D HN 0.308 nan 8.370 nan 0.000 0.481 145 L N 0.441 121.688 121.223 0.040 0.000 2.303 145 L HA 0.419 4.759 4.340 -0.000 0.000 0.256 145 L C 0.549 177.435 176.870 0.028 0.000 1.034 145 L CA -1.069 53.789 54.840 0.030 0.000 0.832 145 L CB 1.958 44.038 42.059 0.034 0.000 1.403 145 L HN 0.383 nan 8.230 nan 0.000 0.419 146 S N -0.361 115.352 115.700 0.022 0.000 2.661 146 S HA 0.255 4.725 4.470 -0.000 0.000 0.265 146 S C -0.344 174.278 174.600 0.036 0.000 1.225 146 S CA -0.456 57.759 58.200 0.025 0.000 0.986 146 S CB 1.464 64.674 63.200 0.017 0.000 1.008 146 S HN 0.377 nan 8.310 nan 0.000 0.565 147 V N 3.607 123.544 119.914 0.038 0.000 2.416 147 V HA 0.346 4.466 4.120 -0.000 0.000 0.267 147 V C 0.118 176.227 176.094 0.025 0.000 1.007 147 V CA 1.336 63.659 62.300 0.038 0.000 1.102 147 V CB -1.175 30.669 31.823 0.036 0.000 1.035 147 V HN 0.702 nan 8.190 nan 0.000 0.473 148 V N 3.266 123.196 119.914 0.026 0.000 6.548 148 V HA 0.274 4.394 4.120 -0.000 0.000 0.159 148 V C 1.203 177.309 176.094 0.019 0.000 1.293 148 V CA 0.411 62.721 62.300 0.016 0.000 1.013 148 V CB 0.512 32.342 31.823 0.012 0.000 2.097 148 V HN 0.496 nan 8.190 nan 0.000 0.388 149 Q N -0.268 119.541 119.800 0.016 0.000 2.432 149 Q HA 0.249 4.589 4.340 -0.000 0.000 0.205 149 Q C 1.745 177.754 176.000 0.015 0.000 0.945 149 Q CA 1.121 56.932 55.803 0.012 0.000 0.924 149 Q CB 0.152 28.889 28.738 -0.001 0.000 1.016 149 Q HN 0.746 nan 8.270 nan 0.000 0.503 150 I N -0.505 120.083 120.570 0.030 0.000 2.928 150 I HA -0.055 4.115 4.170 -0.000 0.000 0.266 150 I C 1.651 177.823 176.117 0.091 0.000 1.234 150 I CA 0.824 62.155 61.300 0.052 0.000 1.483 150 I CB 0.028 38.078 38.000 0.082 0.000 1.097 150 I HN 0.293 nan 8.210 nan 0.000 0.455 151 G N 0.598 109.447 108.800 0.082 0.000 2.408 151 G HA2 -0.104 3.855 3.960 -0.000 0.000 0.215 151 G HA3 -0.104 3.855 3.960 -0.000 0.000 0.215 151 G C 1.447 176.422 174.900 0.126 0.000 1.156 151 G CA 0.069 45.228 45.100 0.098 0.000 0.793 151 G HN 0.205 nan 8.290 nan 0.000 0.535 152 L N 0.544 121.828 121.223 0.102 0.000 2.109 152 L HA 0.180 4.520 4.340 -0.000 0.000 0.207 152 L C 2.632 179.604 176.870 0.171 0.000 1.086 152 L CA 0.966 55.896 54.840 0.150 0.000 0.760 152 L CB -0.900 41.212 42.059 0.090 0.000 0.910 152 L HN 0.257 nan 8.230 nan 0.000 0.437 153 I N 0.885 121.501 120.570 0.076 0.000 2.315 153 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 153 I C 2.383 178.561 176.117 0.101 0.000 1.117 153 I CA 1.368 62.679 61.300 0.018 0.000 1.404 153 I CB -0.107 37.798 38.000 -0.158 0.000 1.071 153 I HN 0.480 nan 8.210 nan 0.000 0.419 154 N N 0.508 119.309 118.700 0.168 0.000 2.244 154 N HA -0.276 4.464 4.740 -0.000 0.000 0.183 154 N C 2.187 177.828 175.510 0.217 0.000 1.016 154 N CA 1.159 54.353 53.050 0.240 0.000 0.866 154 N CB -0.714 37.927 38.487 0.256 0.000 0.980 154 N HN 0.413 nan 8.380 nan 0.000 0.430 155 F N 1.929 121.926 119.950 0.078 0.000 2.134 155 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 155 F C 2.467 178.294 175.800 0.045 0.000 1.097 155 F CA 1.342 59.370 58.000 0.047 0.000 1.264 155 F CB -0.401 38.614 39.000 0.024 0.000 1.001 155 F HN 0.000 nan 8.300 nan 0.000 0.479 156 Q N -0.095 119.587 119.800 -0.197 0.000 2.084 156 Q HA -0.158 4.181 4.340 -0.000 0.000 0.202 156 Q C 2.289 178.196 176.000 -0.154 0.000 0.978 156 Q CA 1.442 57.089 55.803 -0.259 0.000 0.844 156 Q CB -0.271 28.436 28.738 -0.051 0.000 0.898 156 Q HN 0.376 nan 8.270 nan 0.000 0.426 157 L N -0.001 121.236 121.223 0.023 0.000 2.093 157 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 157 L C 2.222 179.164 176.870 0.119 0.000 1.085 157 L CA 1.250 56.201 54.840 0.185 0.000 0.755 157 L CB -0.660 41.665 42.059 0.443 0.000 0.904 157 L HN 0.178 nan 8.230 nan 0.000 0.435 158 V N -0.190 119.704 119.914 -0.034 0.000 2.427 158 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 158 V C 2.598 178.462 176.094 -0.384 0.000 1.051 158 V CA 1.659 63.805 62.300 -0.257 0.000 1.048 158 V CB -0.983 30.762 31.823 -0.131 0.000 0.666 158 V HN 0.531 nan 8.190 nan 0.000 0.456 159 G N -0.580 107.991 108.800 -0.381 0.000 2.448 159 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.218 159 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.218 159 G C 1.521 176.314 174.900 -0.179 0.000 1.135 159 G CA 0.836 45.723 45.100 -0.355 0.000 0.784 159 G HN 0.600 nan 8.290 nan 0.000 0.543 160 A N 0.126 122.878 122.820 -0.113 0.000 2.195 160 A HA 0.461 4.780 4.320 -0.000 0.000 0.210 160 A C 2.325 179.966 177.584 0.096 0.000 1.165 160 A CA 1.293 53.362 52.037 0.054 0.000 0.806 160 A CB -0.057 18.990 19.000 0.079 0.000 0.847 160 A HN 0.388 nan 8.150 nan 0.000 0.482 161 G N -0.559 108.145 108.800 -0.160 0.000 2.719 161 G HA2 0.116 4.076 3.960 -0.000 0.000 0.211 161 G HA3 0.116 4.076 3.960 -0.000 0.000 0.211 161 G C 1.286 175.873 174.900 -0.521 0.000 1.140 161 G CA 0.427 45.294 45.100 -0.389 0.000 0.790 161 G HN 0.397 nan 8.290 nan 0.000 0.529 162 I N -0.030 120.295 120.570 -0.408 0.000 2.617 162 I HA 0.039 4.209 4.170 -0.000 0.000 0.256 162 I C 2.224 178.305 176.117 -0.060 0.000 1.167 162 I CA 0.360 61.529 61.300 -0.219 0.000 1.469 162 I CB -0.054 37.840 38.000 -0.177 0.000 1.098 162 I HN 0.174 nan 8.210 nan 0.000 0.436 163 F N 1.152 121.040 119.950 -0.103 0.000 2.146 163 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 163 F C 2.517 178.332 175.800 0.026 0.000 1.096 163 F CA 1.869 59.853 58.000 -0.027 0.000 1.275 163 F CB -0.594 38.400 39.000 -0.009 0.000 1.008 163 F HN -0.130 nan 8.300 nan 0.000 0.480 164 T N -1.014 113.393 114.554 -0.244 0.000 3.023 164 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 164 T C 1.928 176.548 174.700 -0.133 0.000 1.093 164 T CA 1.642 63.596 62.100 -0.242 0.000 1.129 164 T CB -0.503 68.393 68.868 0.046 0.000 0.899 164 T HN 0.542 nan 8.240 nan 0.000 0.491 165 T N -0.286 114.233 114.554 -0.058 0.000 2.942 165 T HA 0.149 4.499 4.350 -0.000 0.000 0.265 165 T C 1.955 176.618 174.700 -0.062 0.000 1.062 165 T CA 0.419 62.515 62.100 -0.005 0.000 1.139 165 T CB -0.465 68.439 68.868 0.061 0.000 0.883 165 T HN 0.308 nan 8.240 nan 0.000 0.468 166 L N 0.055 121.203 121.223 -0.125 0.000 2.109 166 L HA 0.170 4.510 4.340 -0.000 0.000 0.207 166 L C 2.537 179.312 176.870 -0.158 0.000 1.086 166 L CA 0.933 55.702 54.840 -0.118 0.000 0.760 166 L CB -0.276 41.734 42.059 -0.082 0.000 0.910 166 L HN 0.278 nan 8.230 nan 0.000 0.437 167 L N -0.872 120.172 121.223 -0.299 0.000 2.093 167 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 167 L C 2.765 179.589 176.870 -0.076 0.000 1.085 167 L CA 1.051 55.762 54.840 -0.215 0.000 0.755 167 L CB -0.689 41.183 42.059 -0.313 0.000 0.904 167 L HN 0.292 nan 8.230 nan 0.000 0.435 168 A N -0.371 122.409 122.820 -0.066 0.000 1.933 168 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 168 A C 2.192 179.787 177.584 0.017 0.000 1.175 168 A CA 1.345 53.379 52.037 -0.004 0.000 0.628 168 A CB -0.273 18.736 19.000 0.015 0.000 0.814 168 A HN 0.342 nan 8.150 nan 0.000 0.444 169 E N -0.462 119.740 120.200 0.002 0.000 2.047 169 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 169 E C 2.169 178.780 176.600 0.018 0.000 0.987 169 E CA 1.183 57.591 56.400 0.014 0.000 0.799 169 E CB -0.764 28.935 29.700 -0.000 0.000 0.752 169 E HN 0.352 nan 8.360 nan 0.000 0.449 170 V N 1.475 121.390 119.914 0.001 0.000 2.343 170 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 170 V C 2.275 178.439 176.094 0.116 0.000 1.051 170 V CA 1.280 63.584 62.300 0.007 0.000 1.036 170 V CB -0.254 31.531 31.823 -0.064 0.000 0.654 170 V HN 0.170 nan 8.190 nan 0.000 0.451 171 I N 0.051 120.696 120.570 0.125 0.000 2.252 171 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 171 I C 2.261 178.435 176.117 0.095 0.000 1.102 171 I CA 2.075 63.455 61.300 0.132 0.000 1.385 171 I CB -0.434 37.631 38.000 0.108 0.000 1.064 171 I HN 0.388 nan 8.210 nan 0.000 0.414 172 D N 0.939 121.386 120.400 0.079 0.000 2.178 172 D HA -0.159 4.481 4.640 -0.000 0.000 0.202 172 D C 1.800 178.141 176.300 0.068 0.000 0.974 172 D CA 1.120 55.165 54.000 0.075 0.000 0.841 172 D CB 0.198 41.042 40.800 0.073 0.000 0.953 172 D HN -0.012 nan 8.370 nan 0.000 0.478 173 K N -0.859 119.580 120.400 0.064 0.000 2.404 173 K HA 0.326 4.646 4.320 -0.000 0.000 0.194 173 K C 1.178 177.814 176.600 0.060 0.000 1.023 173 K CA 0.641 56.960 56.287 0.054 0.000 1.094 173 K CB 0.739 33.263 32.500 0.039 0.000 0.841 173 K HN 0.206 nan 8.250 nan 0.000 0.523 174 G N 0.789 109.631 108.800 0.069 0.000 2.159 174 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.170 174 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.170 174 G C 0.526 175.469 174.900 0.071 0.000 1.007 174 G CA -0.134 44.983 45.100 0.028 0.000 0.672 174 G HN 0.226 nan 8.290 nan 0.000 0.507 175 F N 1.683 121.608 119.950 -0.041 0.000 2.146 175 F HA 0.365 4.892 4.527 -0.000 0.000 0.298 175 F C 1.676 177.492 175.800 0.027 0.000 1.096 175 F CA 2.116 60.108 58.000 -0.013 0.000 1.275 175 F CB -0.095 38.874 39.000 -0.052 0.000 1.008 175 F HN 0.355 nan 8.300 nan 0.000 0.480 176 G N -1.888 106.939 108.800 0.046 0.000 2.932 176 G HA2 0.419 4.379 3.960 -0.000 0.000 0.283 176 G HA3 0.419 4.379 3.960 -0.000 0.000 0.283 176 G C -1.455 173.345 174.900 -0.167 0.000 1.336 176 G CA -0.615 44.444 45.100 -0.068 0.000 1.056 176 G HN -0.048 nan 8.290 nan 0.000 0.522 177 F N -0.164 119.762 119.950 -0.040 0.000 2.380 177 F HA 0.628 5.155 4.527 -0.000 0.000 0.321 177 F C 1.266 177.059 175.800 -0.012 0.000 1.103 177 F CA 0.723 58.689 58.000 -0.056 0.000 1.067 177 F CB 1.705 40.635 39.000 -0.117 0.000 1.265 177 F HN 0.698 nan 8.300 nan 0.000 0.517 178 S N 0.391 116.256 115.700 0.276 0.000 3.387 178 S HA -0.228 4.242 4.470 -0.000 0.000 0.633 178 S C -0.298 174.374 174.600 0.120 0.000 2.641 178 S CA 0.285 58.574 58.200 0.149 0.000 2.931 178 S CB -1.326 61.935 63.200 0.101 0.000 0.327 178 S HN 0.968 nan 8.310 nan 0.000 1.716 179 S N -0.612 115.150 115.700 0.103 0.000 2.537 179 S HA 0.644 5.114 4.470 -0.000 0.000 0.301 179 S C 1.150 175.797 174.600 0.078 0.000 1.092 179 S CA 0.305 58.563 58.200 0.096 0.000 1.048 179 S CB 1.281 64.547 63.200 0.111 0.000 1.053 179 S HN 1.350 nan 8.310 nan 0.000 0.501 180 G N 1.972 110.812 108.800 0.068 0.000 2.511 180 G HA2 0.135 4.095 3.960 -0.000 0.000 0.217 180 G HA3 0.135 4.095 3.960 -0.000 0.000 0.217 180 G C 1.333 176.252 174.900 0.033 0.000 1.133 180 G CA 0.658 45.787 45.100 0.049 0.000 0.792 180 G HN 0.863 nan 8.290 nan 0.000 0.539 181 A N 0.458 123.306 122.820 0.047 0.000 1.929 181 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 181 A C 2.229 179.834 177.584 0.036 0.000 1.176 181 A CA 1.863 53.927 52.037 0.045 0.000 0.628 181 A CB -0.268 18.770 19.000 0.064 0.000 0.816 181 A HN 0.344 nan 8.150 nan 0.000 0.444 182 M N -0.040 119.588 119.600 0.048 0.000 2.132 182 M HA 0.006 4.486 4.480 -0.000 0.000 0.263 182 M C 1.800 178.111 176.300 0.018 0.000 1.065 182 M CA 1.478 56.806 55.300 0.046 0.000 1.122 182 M CB -0.465 32.181 32.600 0.076 0.000 1.365 182 M HN 0.416 nan 8.290 nan 0.000 0.411 183 I N -0.938 119.638 120.570 0.010 0.000 2.202 183 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 183 I C 2.385 178.448 176.117 -0.091 0.000 1.091 183 I CA 1.320 62.608 61.300 -0.020 0.000 1.368 183 I CB -0.453 37.550 38.000 0.005 0.000 1.058 183 I HN 0.313 nan 8.210 nan 0.000 0.410 184 I N 0.756 121.260 120.570 -0.109 0.000 2.439 184 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 184 I C 2.100 178.103 176.117 -0.190 0.000 1.139 184 I CA 1.465 62.628 61.300 -0.228 0.000 1.438 184 I CB -0.139 37.761 38.000 -0.167 0.000 1.085 184 I HN 0.284 nan 8.210 nan 0.000 0.427 185 N N -0.111 118.547 118.700 -0.070 0.000 2.084 185 N HA -0.221 4.519 4.740 -0.000 0.000 0.190 185 N C 1.752 177.240 175.510 -0.037 0.000 1.030 185 N CA 2.173 55.211 53.050 -0.022 0.000 0.849 185 N CB 0.007 38.509 38.487 0.025 0.000 1.012 185 N HN 0.456 nan 8.380 nan 0.000 0.423 186 T N -2.038 112.489 114.554 -0.045 0.000 3.023 186 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 186 T C 1.839 176.507 174.700 -0.053 0.000 1.093 186 T CA 1.084 63.166 62.100 -0.031 0.000 1.129 186 T CB -0.459 68.401 68.868 -0.014 0.000 0.899 186 T HN 0.152 nan 8.240 nan 0.000 0.491 187 V N -1.168 118.669 119.914 -0.128 0.000 3.506 187 V HA 0.269 4.388 4.120 -0.000 0.000 0.263 187 V C 2.231 178.272 176.094 -0.088 0.000 1.203 187 V CA 0.094 62.317 62.300 -0.129 0.000 1.133 187 V CB -0.643 31.044 31.823 -0.226 0.000 0.802 187 V HN 0.323 nan 8.190 nan 0.000 0.459 188 V N 1.744 121.591 119.914 -0.113 0.000 2.500 188 V HA -0.041 4.079 4.120 -0.000 0.000 0.243 188 V C 2.497 178.615 176.094 0.040 0.000 1.039 188 V CA 2.006 64.315 62.300 0.015 0.000 1.053 188 V CB -0.017 31.807 31.823 0.002 0.000 0.695 188 V HN 0.646 nan 8.190 nan 0.000 0.463 189 I N -0.365 120.216 120.570 0.019 0.000 2.493 189 I HA -0.064 4.105 4.170 -0.000 0.000 0.254 189 I C 2.318 178.452 176.117 0.027 0.000 1.160 189 I CA 1.680 62.998 61.300 0.029 0.000 1.445 189 I CB -0.685 37.332 38.000 0.028 0.000 1.086 189 I HN 0.154 nan 8.210 nan 0.000 0.433 190 A N 1.619 124.452 122.820 0.022 0.000 1.929 190 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 190 A C 2.336 179.941 177.584 0.035 0.000 1.176 190 A CA 2.145 54.195 52.037 0.023 0.000 0.628 190 A CB -1.122 17.886 19.000 0.015 0.000 0.816 190 A HN 0.482 nan 8.150 nan 0.000 0.444 191 T N 1.051 115.642 114.554 0.062 0.000 2.746 191 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 191 T C 1.779 176.505 174.700 0.044 0.000 1.039 191 T CA 1.604 63.744 62.100 0.067 0.000 1.142 191 T CB -0.406 68.531 68.868 0.115 0.000 0.866 191 T HN 0.518 nan 8.240 nan 0.000 0.444 192 N N 1.244 119.970 118.700 0.044 0.000 2.188 192 N HA -0.011 4.729 4.740 -0.000 0.000 0.184 192 N C 1.658 177.179 175.510 0.019 0.000 1.018 192 N CA 0.495 53.564 53.050 0.030 0.000 0.858 192 N CB -0.642 37.865 38.487 0.033 0.000 0.989 192 N HN 0.191 nan 8.380 nan 0.000 0.426 193 L N 0.313 121.550 121.223 0.024 0.000 2.027 193 L HA 0.010 4.350 4.340 -0.000 0.000 0.206 193 L C 1.844 178.735 176.870 0.035 0.000 1.074 193 L CA 1.371 56.225 54.840 0.024 0.000 0.745 193 L CB -0.484 41.589 42.059 0.023 0.000 0.898 193 L HN -0.046 nan 8.230 nan 0.000 0.433 194 V N -0.797 119.142 119.914 0.042 0.000 3.354 194 V HA 0.081 4.201 4.120 -0.000 0.000 0.258 194 V C 2.430 178.581 176.094 0.094 0.000 1.159 194 V CA 0.855 63.200 62.300 0.075 0.000 1.125 194 V CB 0.063 31.909 31.823 0.038 0.000 0.774 194 V HN 0.533 nan 8.190 nan 0.000 0.464 195 A N -0.163 122.689 122.820 0.053 0.000 1.898 195 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 195 A C 2.062 179.663 177.584 0.027 0.000 1.181 195 A CA 2.088 54.151 52.037 0.043 0.000 0.620 195 A CB -0.471 18.541 19.000 0.021 0.000 0.819 195 A HN 0.531 nan 8.150 nan 0.000 0.442 196 D N -1.691 118.713 120.400 0.007 0.000 2.103 196 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 196 D C 2.059 178.360 176.300 0.003 0.000 0.978 196 D CA 1.832 55.821 54.000 -0.019 0.000 0.829 196 D CB -0.082 40.691 40.800 -0.045 0.000 0.981 196 D HN 0.312 nan 8.370 nan 0.000 0.464 197 T N -1.416 113.160 114.554 0.036 0.000 2.901 197 T HA 0.011 4.361 4.350 -0.000 0.000 0.252 197 T C 1.614 176.352 174.700 0.064 0.000 1.035 197 T CA 0.381 62.506 62.100 0.042 0.000 1.142 197 T CB -0.291 68.607 68.868 0.050 0.000 0.869 197 T HN 0.090 nan 8.240 nan 0.000 0.442 198 F N 1.159 121.096 119.950 -0.022 0.000 2.188 198 F HA 0.345 4.872 4.527 -0.000 0.000 0.289 198 F C 1.606 177.392 175.800 -0.023 0.000 1.082 198 F CA 0.995 58.980 58.000 -0.024 0.000 1.282 198 F CB -0.669 38.319 39.000 -0.020 0.000 1.060 198 F HN 0.371 nan 8.300 nan 0.000 0.493 199 G N 0.825 109.721 108.800 0.159 0.000 2.564 199 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.309 199 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.309 199 G C -0.650 174.253 174.900 0.005 0.000 1.320 199 G CA 0.138 45.277 45.100 0.066 0.000 0.941 199 G HN 1.089 nan 8.290 nan 0.000 0.543 200 V N -0.781 119.121 119.914 -0.020 0.000 3.225 200 V HA 0.698 4.818 4.120 -0.000 0.000 0.293 200 V C -0.065 176.011 176.094 -0.030 0.000 1.405 200 V CA 0.520 62.797 62.300 -0.039 0.000 1.038 200 V CB 2.109 33.936 31.823 0.008 0.000 1.123 200 V HN 2.195 nan 8.190 nan 0.000 0.447 201 S N 4.173 119.854 115.700 -0.032 0.000 2.568 201 S HA 0.919 5.388 4.470 -0.000 0.000 0.302 201 S C -1.016 173.581 174.600 -0.004 0.000 1.082 201 S CA -0.738 57.451 58.200 -0.018 0.000 1.009 201 S CB 1.890 65.074 63.200 -0.026 0.000 1.069 201 S HN 1.094 nan 8.310 nan 0.000 0.500 202 Q N 0.771 120.573 119.800 0.003 0.000 2.377 202 Q HA 0.608 4.948 4.340 -0.000 0.000 0.279 202 Q C -1.050 174.955 176.000 0.009 0.000 1.049 202 Q CA -1.106 54.702 55.803 0.008 0.000 0.825 202 Q CB 1.391 30.135 28.738 0.011 0.000 1.401 202 Q HN 0.879 nan 8.270 nan 0.000 0.404 203 I N -0.619 119.956 120.570 0.010 0.000 2.325 203 I HA 0.691 4.861 4.170 -0.000 0.000 0.291 203 I C -0.620 175.504 176.117 0.011 0.000 1.019 203 I CA -0.344 60.962 61.300 0.009 0.000 1.302 203 I CB 0.951 38.955 38.000 0.006 0.000 1.401 203 I HN 0.665 nan 8.210 nan 0.000 0.485 204 K N 4.934 125.342 120.400 0.013 0.000 2.617 204 K HA 0.652 4.972 4.320 -0.000 0.000 0.293 204 K C -1.684 174.926 176.600 0.018 0.000 1.034 204 K CA -0.674 55.622 56.287 0.015 0.000 0.884 204 K CB 2.903 35.414 32.500 0.017 0.000 1.541 204 K HN 0.632 nan 8.250 nan 0.000 0.409 205 V N -1.848 118.078 119.914 0.019 0.000 2.864 205 V HA 1.016 5.136 4.120 -0.000 0.000 0.314 205 V C -0.338 175.772 176.094 0.026 0.000 1.073 205 V CA -0.390 61.924 62.300 0.023 0.000 0.956 205 V CB 1.585 33.420 31.823 0.019 0.000 1.023 205 V HN 0.871 nan 8.190 nan 0.000 0.435 206 G N 1.505 110.326 108.800 0.033 0.000 2.682 206 G HA2 0.448 4.408 3.960 -0.000 0.000 0.300 206 G HA3 0.448 4.408 3.960 -0.000 0.000 0.300 206 G C -0.414 174.513 174.900 0.044 0.000 1.396 206 G CA -0.239 44.882 45.100 0.036 0.000 1.104 206 G HN 0.762 nan 8.290 nan 0.000 0.587 207 E N 0.386 120.609 120.200 0.038 0.000 2.072 207 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 207 E C 1.004 177.635 176.600 0.051 0.000 0.982 207 E CA 0.999 57.424 56.400 0.042 0.000 0.803 207 E CB 0.141 29.860 29.700 0.031 0.000 0.755 207 E HN 0.763 nan 8.360 nan 0.000 0.453 208 D N 1.244 121.671 120.400 0.045 0.000 2.377 208 D HA -0.029 4.611 4.640 -0.000 0.000 0.245 208 D C -0.305 176.037 176.300 0.070 0.000 1.196 208 D CA -0.321 53.709 54.000 0.050 0.000 0.962 208 D CB 0.726 41.543 40.800 0.028 0.000 1.127 208 D HN -0.244 nan 8.370 nan 0.000 0.471 209 D N -0.023 120.428 120.400 0.086 0.000 2.371 209 D HA 0.070 4.710 4.640 -0.000 0.000 0.256 209 D C -0.667 175.678 176.300 0.074 0.000 1.193 209 D CA 0.325 54.394 54.000 0.114 0.000 0.881 209 D CB 0.413 41.309 40.800 0.159 0.000 1.143 209 D HN 0.131 nan 8.370 nan 0.000 0.473 210 Q N 1.608 121.453 119.800 0.074 0.000 2.484 210 Q HA 0.281 4.621 4.340 -0.000 0.000 0.285 210 Q C -0.611 175.420 176.000 0.051 0.000 1.097 210 Q CA -0.666 55.167 55.803 0.050 0.000 0.802 210 Q CB 1.845 30.608 28.738 0.042 0.000 1.444 210 Q HN 0.372 nan 8.270 nan 0.000 0.429 211 T N 1.530 116.105 114.554 0.034 0.000 3.273 211 T HA 0.104 4.454 4.350 -0.000 0.000 0.242 211 T C 0.564 175.277 174.700 0.022 0.000 1.228 211 T CA -0.179 61.935 62.100 0.024 0.000 1.173 211 T CB -0.062 68.814 68.868 0.014 0.000 1.134 211 T HN 0.290 nan 8.240 nan 0.000 0.635 212 E N 1.367 121.586 120.200 0.031 0.000 2.072 212 E HA 0.051 4.401 4.350 -0.000 0.000 0.191 212 E C 0.921 177.531 176.600 0.017 0.000 0.985 212 E CA 0.467 56.883 56.400 0.026 0.000 0.801 212 E CB 0.019 29.740 29.700 0.035 0.000 0.750 212 E HN 0.627 nan 8.360 nan 0.000 0.452 213 A N 1.130 123.962 122.820 0.020 0.000 2.332 213 A HA 0.545 4.865 4.320 -0.000 0.000 0.300 213 A C -0.576 177.007 177.584 -0.001 0.000 1.153 213 A CA -0.479 51.563 52.037 0.009 0.000 0.764 213 A CB 1.346 20.358 19.000 0.020 0.000 1.174 213 A HN 0.005 nan 8.150 nan 0.000 0.467 214 Q N 0.163 119.953 119.800 -0.017 0.000 2.418 214 Q HA 0.589 4.929 4.340 -0.000 0.000 0.282 214 Q C -0.122 175.850 176.000 -0.048 0.000 1.044 214 Q CA -0.198 55.589 55.803 -0.026 0.000 0.813 214 Q CB 2.424 31.151 28.738 -0.018 0.000 1.428 214 Q HN 1.969 nan 8.270 nan 0.000 0.402 215 G N 0.368 109.133 108.800 -0.059 0.000 2.427 215 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.193 215 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.193 215 G C 0.427 175.266 174.900 -0.103 0.000 1.086 215 G CA 0.150 45.178 45.100 -0.119 0.000 0.818 215 G HN 0.717 nan 8.290 nan 0.000 0.490 216 A N -0.472 122.313 122.820 -0.059 0.000 1.933 216 A HA 0.196 4.516 4.320 -0.000 0.000 0.218 216 A C 2.398 179.951 177.584 -0.051 0.000 1.175 216 A CA 2.193 54.205 52.037 -0.042 0.000 0.628 216 A CB -0.156 18.832 19.000 -0.021 0.000 0.814 216 A HN 1.376 nan 8.150 nan 0.000 0.444 217 L N -0.021 121.170 121.223 -0.054 0.000 2.046 217 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 217 L C 2.271 179.084 176.870 -0.096 0.000 1.077 217 L CA 1.720 56.529 54.840 -0.051 0.000 0.747 217 L CB -0.302 41.749 42.059 -0.013 0.000 0.896 217 L HN 0.452 nan 8.230 nan 0.000 0.432 218 I N -0.711 119.756 120.570 -0.172 0.000 2.202 218 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 218 I C 2.180 178.197 176.117 -0.167 0.000 1.091 218 I CA 1.378 62.541 61.300 -0.230 0.000 1.368 218 I CB -0.515 37.266 38.000 -0.366 0.000 1.058 218 I HN 0.365 nan 8.210 nan 0.000 0.410 219 N N 1.203 119.828 118.700 -0.126 0.000 2.142 219 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 219 N C 1.732 177.206 175.510 -0.060 0.000 1.023 219 N CA 1.199 54.198 53.050 -0.085 0.000 0.852 219 N CB -0.124 38.327 38.487 -0.060 0.000 0.998 219 N HN 0.189 nan 8.380 nan 0.000 0.424 220 L N 0.390 121.582 121.223 -0.052 0.000 2.005 220 L HA 0.118 4.458 4.340 -0.000 0.000 0.207 220 L C 1.973 178.818 176.870 -0.041 0.000 1.072 220 L CA 1.469 56.288 54.840 -0.034 0.000 0.744 220 L CB -0.480 41.562 42.059 -0.028 0.000 0.895 220 L HN 0.196 nan 8.230 nan 0.000 0.433 221 I N -0.909 119.629 120.570 -0.054 0.000 2.353 221 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 221 I C 2.305 178.387 176.117 -0.059 0.000 1.119 221 I CA 0.918 62.188 61.300 -0.050 0.000 1.417 221 I CB -0.235 37.737 38.000 -0.047 0.000 1.078 221 I HN 0.384 nan 8.210 nan 0.000 0.421 222 Q N 1.228 120.975 119.800 -0.087 0.000 2.311 222 Q HA -0.019 4.321 4.340 -0.000 0.000 0.203 222 Q C 1.942 177.907 176.000 -0.058 0.000 0.954 222 Q CA 1.399 57.145 55.803 -0.096 0.000 0.885 222 Q CB -0.220 28.409 28.738 -0.182 0.000 0.963 222 Q HN 0.431 nan 8.270 nan 0.000 0.471 223 G N 0.632 109.404 108.800 -0.046 0.000 2.408 223 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 223 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 223 G C 1.246 176.136 174.900 -0.016 0.000 1.156 223 G CA 0.521 45.606 45.100 -0.024 0.000 0.793 223 G HN 0.406 nan 8.290 nan 0.000 0.535 224 L N 0.570 121.781 121.223 -0.021 0.000 2.046 224 L HA 0.059 4.399 4.340 -0.000 0.000 0.208 224 L C 2.537 179.398 176.870 -0.016 0.000 1.077 224 L CA 1.960 56.789 54.840 -0.017 0.000 0.747 224 L CB -0.587 41.459 42.059 -0.021 0.000 0.896 224 L HN 0.283 nan 8.230 nan 0.000 0.432 225 R N -0.959 119.529 120.500 -0.021 0.000 2.052 225 R HA -0.003 4.337 4.340 -0.000 0.000 0.224 225 R C 0.617 176.909 176.300 -0.012 0.000 1.165 225 R CA 1.348 57.437 56.100 -0.017 0.000 0.939 225 R CB 0.292 30.579 30.300 -0.023 0.000 0.834 225 R HN 0.383 nan 8.270 nan 0.000 0.435 226 S N -1.865 113.827 115.700 -0.013 0.000 3.813 226 S HA 0.290 4.760 4.470 -0.000 0.000 0.309 226 S C -1.551 173.041 174.600 -0.013 0.000 1.136 226 S CA -0.760 57.434 58.200 -0.010 0.000 1.190 226 S CB 0.991 64.187 63.200 -0.007 0.000 1.582 226 S HN 0.184 nan 8.310 nan 0.000 0.647 227 K N 0.065 120.451 120.400 -0.022 0.000 2.340 227 K HA 0.670 4.990 4.320 -0.000 0.000 0.244 227 K C -1.196 175.394 176.600 -0.016 0.000 0.973 227 K CA -0.342 55.918 56.287 -0.046 0.000 0.828 227 K CB 1.719 34.151 32.500 -0.114 0.000 1.226 227 K HN 0.701 nan 8.250 nan 0.000 0.437 228 H N 0.543 119.515 119.070 -0.164 0.000 3.779 228 H HA 0.272 4.828 4.556 -0.000 0.000 0.320 228 H C 0.588 175.799 175.328 -0.194 0.000 1.666 228 H CA -0.090 55.874 56.048 -0.139 0.000 1.439 228 H CB 1.019 30.723 29.762 -0.097 0.000 1.281 228 H HN 0.466 nan 8.280 nan 0.000 0.809 229 K N -0.208 119.842 120.400 -0.583 0.000 2.057 229 K HA 0.010 4.330 4.320 -0.000 0.000 0.207 229 K C -0.063 176.437 176.600 -0.167 0.000 1.049 229 K CA 1.464 57.527 56.287 -0.374 0.000 0.931 229 K CB -0.539 31.736 32.500 -0.375 0.000 0.714 229 K HN 0.553 nan 8.250 nan 0.000 0.440 230 T N 0.801 115.358 114.554 0.005 0.000 2.918 230 T HA 0.156 4.506 4.350 -0.000 0.000 0.302 230 T C -0.148 174.543 174.700 -0.014 0.000 1.045 230 T CA -0.183 61.968 62.100 0.084 0.000 1.114 230 T CB 0.287 69.228 68.868 0.121 0.000 0.965 230 T HN 0.000 nan 8.240 nan 0.000 0.540 231 F N 3.465 123.427 119.950 0.020 0.000 2.350 231 F HA 0.500 5.027 4.527 -0.000 0.000 0.365 231 F C 0.721 176.525 175.800 0.006 0.000 1.122 231 F CA -0.682 57.325 58.000 0.011 0.000 1.139 231 F CB 0.016 39.016 39.000 0.000 0.000 1.220 231 F HN 0.426 nan 8.300 nan 0.000 0.499 232 I N -0.180 120.455 120.570 0.110 0.000 3.493 232 I HA 1.076 5.246 4.170 -0.000 0.000 0.315 232 I C -0.174 175.967 176.117 0.041 0.000 1.202 232 I CA -1.288 60.051 61.300 0.065 0.000 0.943 232 I CB 2.152 40.169 38.000 0.029 0.000 1.349 232 I HN 0.550 nan 8.210 nan 0.000 0.480 233 G N -0.588 108.226 108.800 0.023 0.000 2.337 233 G HA2 0.588 4.548 3.960 -0.000 0.000 0.310 233 G HA3 0.588 4.548 3.960 -0.000 0.000 0.310 233 G C -0.507 174.403 174.900 0.017 0.000 1.534 233 G CA 0.269 45.379 45.100 0.016 0.000 0.982 233 G HN 2.357 nan 8.290 nan 0.000 0.672 234 G N -1.113 107.695 108.800 0.014 0.000 2.675 234 G HA2 0.322 4.282 3.960 -0.000 0.000 0.686 234 G HA3 0.322 4.282 3.960 -0.000 0.000 0.686 234 G C -0.506 174.403 174.900 0.016 0.000 1.215 234 G CA -0.213 44.898 45.100 0.018 0.000 0.777 234 G HN 1.479 nan 8.290 nan 0.000 0.638 235 I N 1.295 121.877 120.570 0.019 0.000 2.377 235 I HA 0.565 4.735 4.170 -0.000 0.000 0.293 235 I C 0.510 176.643 176.117 0.028 0.000 0.987 235 I CA -0.839 60.467 61.300 0.010 0.000 1.185 235 I CB 1.885 39.881 38.000 -0.006 0.000 1.341 235 I HN 0.603 nan 8.210 nan 0.000 0.455 236 I N 5.751 126.340 120.570 0.032 0.000 2.354 236 I HA 0.227 4.397 4.170 -0.000 0.000 0.286 236 I C 0.901 176.999 176.117 -0.032 0.000 1.007 236 I CA 0.075 61.413 61.300 0.063 0.000 1.167 236 I CB 1.250 39.352 38.000 0.171 0.000 1.320 236 I HN 0.801 nan 8.210 nan 0.000 0.458 237 S N 6.308 121.912 115.700 -0.160 0.000 2.433 237 S HA 0.612 5.082 4.470 -0.000 0.000 0.216 237 S C 0.630 175.106 174.600 -0.207 0.000 1.031 237 S CA 0.304 58.403 58.200 -0.167 0.000 0.931 237 S CB 0.171 63.267 63.200 -0.174 0.000 0.875 237 S HN 0.796 nan 8.310 nan 0.000 0.553 238 A N -0.085 122.490 122.820 -0.409 0.000 2.605 238 A HA 0.756 5.076 4.320 -0.000 0.000 0.294 238 A C -1.798 175.437 177.584 -0.581 0.000 1.062 238 A CA -0.656 51.194 52.037 -0.312 0.000 0.682 238 A CB 0.780 19.675 19.000 -0.176 0.000 1.278 238 A HN 0.333 nan 8.150 nan 0.000 0.410 239 F N -0.334 119.610 119.950 -0.010 0.000 2.741 239 F HA 0.443 4.970 4.527 -0.000 0.000 0.313 239 F C 0.609 176.382 175.800 -0.045 0.000 1.153 239 F CA -0.789 57.187 58.000 -0.039 0.000 0.931 239 F CB 1.804 40.749 39.000 -0.092 0.000 1.335 239 F HN 0.480 nan 8.300 nan 0.000 0.460 240 N N 0.164 118.981 118.700 0.194 0.000 2.236 240 N HA 0.112 4.852 4.740 -0.000 0.000 0.196 240 N C 0.260 175.792 175.510 0.036 0.000 1.114 240 N CA 0.014 53.121 53.050 0.094 0.000 0.859 240 N CB 0.266 38.788 38.487 0.057 0.000 0.982 240 N HN 0.261 nan 8.380 nan 0.000 0.493 241 R N 1.392 121.851 120.500 -0.069 0.000 2.811 241 R HA -0.056 4.284 4.340 -0.000 0.000 0.265 241 R C 0.805 177.004 176.300 -0.169 0.000 1.026 241 R CA 0.349 56.268 56.100 -0.302 0.000 1.142 241 R CB 0.342 30.091 30.300 -0.919 0.000 1.027 241 R HN 0.314 nan 8.270 nan 0.000 0.465 242 D N 0.535 120.840 120.400 -0.159 0.000 2.117 242 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 242 D C 0.472 176.788 176.300 0.027 0.000 0.987 242 D CA 1.189 55.188 54.000 -0.001 0.000 0.829 242 D CB -0.619 40.196 40.800 0.025 0.000 0.961 242 D HN 0.640 nan 8.370 nan 0.000 0.460 243 Y N 0.659 120.962 120.300 0.004 0.000 2.465 243 Y HA 0.343 4.892 4.550 -0.000 0.000 0.331 243 Y C 0.182 176.084 175.900 0.003 0.000 1.102 243 Y CA -1.505 56.593 58.100 -0.002 0.000 1.358 243 Y CB 0.230 38.680 38.460 -0.018 0.000 1.213 243 Y HN -0.198 nan 8.280 nan 0.000 0.525 244 L N 6.429 127.753 121.223 0.169 0.000 2.456 244 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 244 L C -1.348 175.610 176.870 0.146 0.000 1.189 244 L CA -1.629 53.237 54.840 0.043 0.000 0.846 244 L CB 0.572 42.615 42.059 -0.027 0.000 1.111 244 L HN 0.534 nan 8.230 nan 0.000 0.475 245 P HA -0.092 nan 4.420 nan 0.000 0.218 245 P C 0.385 177.736 177.300 0.085 0.000 1.149 245 P CA 0.977 64.164 63.100 0.145 0.000 0.817 245 P CB 0.152 31.889 31.700 0.061 0.000 0.785 246 N N -3.618 115.104 118.700 0.037 0.000 2.886 246 N HA -0.207 4.533 4.740 -0.000 0.000 0.204 246 N C 0.838 176.347 175.510 -0.002 0.000 0.998 246 N CA 1.163 54.221 53.050 0.013 0.000 1.114 246 N CB -1.746 36.749 38.487 0.013 0.000 0.964 246 N HN 0.136 nan 8.380 nan 0.000 0.581 247 L N 1.808 123.029 121.223 -0.003 0.000 2.341 247 L HA 0.130 4.470 4.340 -0.000 0.000 0.214 247 L C 2.427 179.290 176.870 -0.012 0.000 1.115 247 L CA 2.360 57.192 54.840 -0.014 0.000 0.820 247 L CB -0.606 41.438 42.059 -0.026 0.000 0.944 247 L HN 0.331 nan 8.230 nan 0.000 0.452 248 T N -2.174 112.373 114.554 -0.013 0.000 2.708 248 T HA -0.213 4.137 4.350 -0.000 0.000 0.266 248 T C 1.862 176.559 174.700 -0.004 0.000 1.037 248 T CA 2.079 64.171 62.100 -0.014 0.000 1.146 248 T CB -0.201 68.649 68.868 -0.031 0.000 0.865 248 T HN 0.439 nan 8.240 nan 0.000 0.435 249 T N -0.043 114.508 114.554 -0.005 0.000 3.043 249 T HA 0.016 4.366 4.350 -0.000 0.000 0.263 249 T C 1.930 176.635 174.700 0.008 0.000 1.094 249 T CA 1.589 63.693 62.100 0.007 0.000 1.127 249 T CB -0.512 68.361 68.868 0.008 0.000 0.905 249 T HN 0.453 nan 8.240 nan 0.000 0.490 250 T N 1.684 116.239 114.554 0.002 0.000 2.812 250 T HA 0.138 4.488 4.350 -0.000 0.000 0.264 250 T C 1.815 176.518 174.700 0.005 0.000 1.042 250 T CA 0.905 63.007 62.100 0.003 0.000 1.140 250 T CB -0.146 68.720 68.868 -0.003 0.000 0.870 250 T HN 0.350 nan 8.240 nan 0.000 0.445 251 I N 1.692 122.263 120.570 0.002 0.000 2.286 251 I HA -0.071 4.099 4.170 -0.000 0.000 0.245 251 I C 2.462 178.586 176.117 0.011 0.000 1.104 251 I CA 1.125 62.426 61.300 0.003 0.000 1.397 251 I CB -0.403 37.596 38.000 -0.002 0.000 1.072 251 I HN 0.288 nan 8.210 nan 0.000 0.417 252 I N -0.020 120.560 120.570 0.017 0.000 2.394 252 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 252 I C 2.548 178.682 176.117 0.028 0.000 1.136 252 I CA 1.410 62.726 61.300 0.028 0.000 1.425 252 I CB -0.892 37.132 38.000 0.040 0.000 1.079 252 I HN 0.110 nan 8.210 nan 0.000 0.425 253 V N 0.032 119.961 119.914 0.024 0.000 2.427 253 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 253 V C 2.544 178.648 176.094 0.017 0.000 1.051 253 V CA 1.489 63.802 62.300 0.022 0.000 1.048 253 V CB -1.085 30.750 31.823 0.020 0.000 0.666 253 V HN 0.471 nan 8.190 nan 0.000 0.456 254 L N 1.439 122.670 121.223 0.013 0.000 2.109 254 L HA 0.223 4.563 4.340 -0.000 0.000 0.207 254 L C 2.613 179.489 176.870 0.010 0.000 1.086 254 L CA 2.110 56.956 54.840 0.009 0.000 0.760 254 L CB -1.076 40.987 42.059 0.006 0.000 0.910 254 L HN 0.318 nan 8.230 nan 0.000 0.437 255 A N -0.363 122.466 122.820 0.014 0.000 1.898 255 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 255 A C 2.264 179.860 177.584 0.021 0.000 1.181 255 A CA 1.933 53.980 52.037 0.017 0.000 0.620 255 A CB -0.769 18.243 19.000 0.020 0.000 0.819 255 A HN 0.470 nan 8.150 nan 0.000 0.442 256 I N -0.286 120.298 120.570 0.023 0.000 2.179 256 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 256 I C 2.984 179.108 176.117 0.011 0.000 1.088 256 I CA 1.081 62.395 61.300 0.022 0.000 1.357 256 I CB -0.314 37.701 38.000 0.026 0.000 1.051 256 I HN 0.356 nan 8.210 nan 0.000 0.409 257 A N 0.888 123.712 122.820 0.007 0.000 1.902 257 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 257 A C 2.287 179.867 177.584 -0.006 0.000 1.181 257 A CA 1.517 53.553 52.037 -0.003 0.000 0.623 257 A CB -0.777 18.221 19.000 -0.002 0.000 0.818 257 A HN 0.386 nan 8.150 nan 0.000 0.443 258 I N 0.183 120.757 120.570 0.007 0.000 2.202 258 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 258 I C 2.513 178.654 176.117 0.040 0.000 1.091 258 I CA 1.635 62.946 61.300 0.019 0.000 1.368 258 I CB -0.329 37.681 38.000 0.017 0.000 1.058 258 I HN 0.579 nan 8.210 nan 0.000 0.410 259 I N -1.769 118.821 120.570 0.034 0.000 2.333 259 I HA -0.122 4.048 4.170 -0.000 0.000 0.246 259 I C 2.408 178.544 176.117 0.031 0.000 1.106 259 I CA 1.254 62.583 61.300 0.048 0.000 1.411 259 I CB -0.408 37.617 38.000 0.040 0.000 1.082 259 I HN -0.002 nan 8.210 nan 0.000 0.420 260 V N 0.346 120.260 119.914 -0.001 0.000 2.951 260 V HA -0.114 4.006 4.120 -0.000 0.000 0.255 260 V C 2.335 178.382 176.094 -0.079 0.000 1.088 260 V CA 1.489 63.771 62.300 -0.030 0.000 1.109 260 V CB 0.007 31.814 31.823 -0.025 0.000 0.724 260 V HN 0.774 nan 8.190 nan 0.000 0.471 261 C N -0.661 118.587 119.300 -0.086 0.000 2.500 261 C HA 0.038 4.498 4.460 -0.000 0.000 0.273 261 C C 2.221 177.038 174.990 -0.289 0.000 1.428 261 C CA 0.608 59.520 59.018 -0.178 0.000 1.766 261 C CB -1.173 26.477 27.740 -0.150 0.000 1.817 261 C HN 0.757 nan 8.230 nan 0.000 0.543 262 Y N -0.191 120.034 120.300 -0.126 0.000 2.476 262 Y HA 0.157 4.707 4.550 -0.000 0.000 0.283 262 Y C 1.953 177.804 175.900 -0.082 0.000 1.109 262 Y CA 0.872 58.902 58.100 -0.116 0.000 1.246 262 Y CB -0.193 38.221 38.460 -0.077 0.000 1.068 262 Y HN 0.249 nan 8.280 nan 0.000 0.552 263 L N 0.626 121.723 121.223 -0.210 0.000 2.141 263 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 263 L C 2.312 179.071 176.870 -0.185 0.000 1.094 263 L CA 1.895 56.649 54.840 -0.143 0.000 0.763 263 L CB -0.755 41.271 42.059 -0.055 0.000 0.908 263 L HN 0.356 nan 8.230 nan 0.000 0.437 264 Q N -1.744 117.923 119.800 -0.222 0.000 2.297 264 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 264 Q C 1.645 177.527 176.000 -0.196 0.000 0.962 264 Q CA 1.262 56.968 55.803 -0.162 0.000 0.879 264 Q CB 0.044 28.673 28.738 -0.182 0.000 0.947 264 Q HN 0.460 nan 8.270 nan 0.000 0.462 265 S N -0.318 115.089 115.700 -0.488 0.000 2.572 265 S HA 0.220 4.690 4.470 -0.000 0.000 0.228 265 S C -0.369 173.979 174.600 -0.419 0.000 0.963 265 S CA -0.454 57.445 58.200 -0.502 0.000 0.939 265 S CB 0.544 63.191 63.200 -0.921 0.000 0.804 265 S HN 0.138 nan 8.310 nan 0.000 0.480 266 V N 2.596 122.336 119.914 -0.289 0.000 2.407 266 V HA 0.573 4.693 4.120 -0.000 0.000 0.278 266 V C 0.080 176.147 176.094 -0.045 0.000 1.037 266 V CA -0.375 61.860 62.300 -0.107 0.000 0.900 266 V CB 1.238 33.031 31.823 -0.051 0.000 0.983 266 V HN 0.333 nan 8.190 nan 0.000 0.459 267 R N 2.766 123.259 120.500 -0.012 0.000 2.836 267 R HA 0.771 5.111 4.340 -0.000 0.000 0.269 267 R C -1.608 174.694 176.300 0.002 0.000 1.010 267 R CA -0.795 55.300 56.100 -0.008 0.000 0.930 267 R CB 2.494 32.781 30.300 -0.021 0.000 1.218 267 R HN 0.440 nan 8.270 nan 0.000 0.473 268 V N 1.983 121.898 119.914 0.001 0.000 2.398 268 V HA 0.224 4.344 4.120 -0.000 0.000 0.286 268 V C -0.223 175.877 176.094 0.011 0.000 1.026 268 V CA -0.654 61.654 62.300 0.012 0.000 0.868 268 V CB 1.355 33.189 31.823 0.018 0.000 0.982 268 V HN 0.763 nan 8.190 nan 0.000 0.443 269 E N 5.659 125.870 120.200 0.019 0.000 2.227 269 E HA 0.636 4.986 4.350 -0.000 0.000 0.282 269 E C -1.616 175.011 176.600 0.045 0.000 1.015 269 E CA -0.743 55.672 56.400 0.025 0.000 0.823 269 E CB 1.615 31.329 29.700 0.024 0.000 1.081 269 E HN 0.437 nan 8.360 nan 0.000 0.396 270 L N 4.315 125.582 121.223 0.074 0.000 2.406 270 L HA 0.400 4.740 4.340 -0.000 0.000 0.270 270 L C -2.399 174.528 176.870 0.095 0.000 0.982 270 L CA -1.943 52.945 54.840 0.079 0.000 0.843 270 L CB 1.860 43.970 42.059 0.086 0.000 1.225 270 L HN 0.539 nan 8.230 nan 0.000 0.412 271 P HA 0.425 nan 4.420 nan 0.000 0.277 271 P C -0.787 176.543 177.300 0.050 0.000 1.240 271 P CA -0.384 62.754 63.100 0.064 0.000 0.798 271 P CB 1.565 33.291 31.700 0.044 0.000 0.979 272 I N -1.009 119.587 120.570 0.044 0.000 2.957 272 I HA 0.683 4.853 4.170 -0.000 0.000 0.310 272 I C -0.472 175.656 176.117 0.019 0.000 1.063 272 I CA -1.338 59.972 61.300 0.017 0.000 1.033 272 I CB 2.335 40.329 38.000 -0.011 0.000 1.230 272 I HN 0.057 nan 8.210 nan 0.000 0.447 273 R N 1.885 122.392 120.500 0.010 0.000 2.923 273 R HA 0.511 4.851 4.340 -0.000 0.000 0.252 273 R C -0.531 175.775 176.300 0.010 0.000 1.130 273 R CA -1.078 55.029 56.100 0.012 0.000 1.043 273 R CB 0.995 31.301 30.300 0.010 0.000 1.205 273 R HN 0.899 nan 8.270 nan 0.000 0.495 274 S N 0.173 115.880 115.700 0.010 0.000 4.444 274 S HA -0.198 4.272 4.470 -0.000 0.000 0.530 274 S C 1.035 175.640 174.600 0.009 0.000 1.056 274 S CA 1.158 59.364 58.200 0.010 0.000 1.012 274 S CB -0.183 63.022 63.200 0.008 0.000 1.762 274 S HN 0.765 nan 8.310 nan 0.000 0.367 275 T N 1.620 116.180 114.554 0.011 0.000 3.060 275 T HA 0.268 4.618 4.350 -0.000 0.000 0.249 275 T C 0.272 174.978 174.700 0.009 0.000 1.079 275 T CA 0.178 62.284 62.100 0.011 0.000 1.013 275 T CB -0.304 68.572 68.868 0.014 0.000 0.975 275 T HN 0.622 nan 8.240 nan 0.000 0.518 276 R N -0.625 119.879 120.500 0.007 0.000 2.015 276 R HA 0.184 4.524 4.340 -0.000 0.000 0.300 276 R C -0.408 175.896 176.300 0.006 0.000 0.982 276 R CA 0.645 56.748 56.100 0.006 0.000 0.544 276 R CB -1.368 28.935 30.300 0.005 0.000 1.718 276 R HN 0.390 nan 8.270 nan 0.000 0.348 277 A N 0.307 123.131 122.820 0.006 0.000 3.229 277 A HA 0.881 5.201 4.320 -0.000 0.000 0.131 277 A C -1.239 176.348 177.584 0.006 0.000 1.366 277 A CA -0.237 51.804 52.037 0.007 0.000 2.531 277 A CB 0.962 19.967 19.000 0.008 0.000 2.936 277 A HN 0.169 nan 8.150 nan 0.000 1.241 278 R N -2.048 118.456 120.500 0.007 0.000 3.964 278 R HA 0.467 4.807 4.340 -0.000 0.000 0.244 278 R C -0.271 176.033 176.300 0.008 0.000 1.004 278 R CA 0.302 56.406 56.100 0.007 0.000 1.148 278 R CB 1.092 31.395 30.300 0.006 0.000 1.234 278 R HN 2.717 nan 8.270 nan 0.000 0.567 279 G N 0.872 109.678 108.800 0.009 0.000 2.610 279 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.304 279 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.304 279 G C -0.478 174.429 174.900 0.012 0.000 1.309 279 G CA -0.220 44.886 45.100 0.010 0.000 0.906 279 G HN 0.610 nan 8.290 nan 0.000 0.521 280 T N -0.621 113.941 114.554 0.014 0.000 2.816 280 T HA 0.580 4.929 4.350 -0.000 0.000 0.282 280 T C 0.717 175.429 174.700 0.019 0.000 0.993 280 T CA 0.892 63.002 62.100 0.017 0.000 0.994 280 T CB 1.155 70.034 68.868 0.019 0.000 1.025 280 T HN 0.980 nan 8.240 nan 0.000 0.529 281 N N 0.035 118.750 118.700 0.024 0.000 3.528 281 N HA 0.316 5.055 4.740 -0.000 0.000 0.295 281 N C -0.939 174.594 175.510 0.039 0.000 1.444 281 N CA -0.549 52.518 53.050 0.028 0.000 0.717 281 N CB 0.141 38.642 38.487 0.024 0.000 3.262 281 N HN 0.730 nan 8.380 nan 0.000 0.480 282 N N -0.459 118.272 118.700 0.051 0.000 2.381 282 N HA 0.036 4.776 4.740 -0.000 0.000 0.241 282 N C 0.396 175.960 175.510 0.091 0.000 1.279 282 N CA -0.010 53.087 53.050 0.078 0.000 0.896 282 N CB 1.313 39.868 38.487 0.114 0.000 1.118 282 N HN 0.233 nan 8.380 nan 0.000 0.438 283 V N 2.349 122.320 119.914 0.095 0.000 3.590 283 V HA 0.016 4.136 4.120 -0.000 0.000 0.265 283 V C -0.255 175.906 176.094 0.111 0.000 1.239 283 V CA 0.113 62.461 62.300 0.080 0.000 1.117 283 V CB -1.164 30.687 31.823 0.047 0.000 0.818 283 V HN 0.775 nan 8.190 nan 0.000 0.451 284 Y N 3.043 123.347 120.300 0.007 0.000 2.928 284 Y HA -0.169 4.381 4.550 -0.000 0.000 0.205 284 Y C -2.023 173.879 175.900 0.003 0.000 1.437 284 Y CA -0.362 57.739 58.100 0.003 0.000 0.980 284 Y CB -0.316 38.144 38.460 0.001 0.000 1.500 284 Y HN 0.339 nan 8.280 nan 0.000 0.328 285 P HA 0.303 nan 4.420 nan 0.000 0.277 285 P C -0.225 176.862 177.300 -0.355 0.000 1.240 285 P CA -0.147 62.816 63.100 -0.229 0.000 0.798 285 P CB 1.306 32.906 31.700 -0.166 0.000 0.979 286 I N -1.591 118.896 120.570 -0.138 0.000 2.797 286 I HA 0.604 4.773 4.170 -0.000 0.000 0.307 286 I C -0.661 175.430 176.117 -0.043 0.000 1.033 286 I CA -1.607 59.650 61.300 -0.071 0.000 1.071 286 I CB 2.162 40.189 38.000 0.046 0.000 1.255 286 I HN -0.036 nan 8.210 nan 0.000 0.445 287 K N 3.854 124.248 120.400 -0.010 0.000 2.299 287 K HA 0.393 4.713 4.320 -0.000 0.000 0.268 287 K C 0.043 176.670 176.600 0.045 0.000 1.075 287 K CA -0.369 55.926 56.287 0.013 0.000 0.936 287 K CB 1.420 33.935 32.500 0.025 0.000 1.228 287 K HN 0.515 nan 8.250 nan 0.000 0.454 288 L N 2.114 123.352 121.223 0.026 0.000 2.209 288 L HA 0.031 4.371 4.340 -0.000 0.000 0.207 288 L C 1.003 177.875 176.870 0.003 0.000 1.094 288 L CA 1.302 56.151 54.840 0.015 0.000 0.790 288 L CB -0.148 41.914 42.059 0.004 0.000 0.932 288 L HN 0.559 nan 8.230 nan 0.000 0.447 289 L N -2.698 118.538 121.223 0.021 0.000 2.607 289 L HA -0.000 4.340 4.340 -0.000 0.000 0.228 289 L C 1.705 178.593 176.870 0.030 0.000 1.123 289 L CA 0.466 55.309 54.840 0.004 0.000 0.890 289 L CB -0.410 41.656 42.059 0.011 0.000 1.103 289 L HN 0.157 nan 8.230 nan 0.000 0.468 290 Y N -0.443 119.818 120.300 -0.064 0.000 2.503 290 Y HA -0.025 4.525 4.550 -0.000 0.000 0.278 290 Y C 2.287 178.123 175.900 -0.107 0.000 1.111 290 Y CA 0.912 58.966 58.100 -0.076 0.000 1.270 290 Y CB -0.014 38.419 38.460 -0.046 0.000 1.063 290 Y HN 0.057 nan 8.280 nan 0.000 0.548 291 T N -0.952 113.519 114.554 -0.137 0.000 2.812 291 T HA -0.058 4.292 4.350 -0.000 0.000 0.264 291 T C 1.902 176.352 174.700 -0.416 0.000 1.042 291 T CA 1.448 63.426 62.100 -0.202 0.000 1.140 291 T CB -0.661 68.198 68.868 -0.015 0.000 0.870 291 T HN 0.465 nan 8.240 nan 0.000 0.445 292 G N -0.384 108.244 108.800 -0.286 0.000 2.985 292 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.209 292 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.209 292 G C 1.724 176.415 174.900 -0.348 0.000 1.165 292 G CA 0.314 45.239 45.100 -0.291 0.000 0.776 292 G HN 0.540 nan 8.290 nan 0.000 0.541 293 C N -0.075 118.985 119.300 -0.399 0.000 2.432 293 C HA 0.043 4.502 4.460 -0.000 0.000 0.277 293 C C 2.647 177.336 174.990 -0.502 0.000 1.249 293 C CA 0.846 59.649 59.018 -0.359 0.000 1.725 293 C CB -0.656 26.888 27.740 -0.326 0.000 2.028 293 C HN 0.331 nan 8.230 nan 0.000 0.477 294 L N 0.618 121.355 121.223 -0.810 0.000 2.341 294 L HA 0.070 4.410 4.340 -0.000 0.000 0.214 294 L C 2.765 178.810 176.870 -1.376 0.000 1.115 294 L CA 1.578 55.747 54.840 -1.119 0.000 0.820 294 L CB -0.755 40.504 42.059 -1.333 0.000 0.944 294 L HN 0.369 nan 8.230 nan 0.000 0.452 295 S N -1.153 113.993 115.700 -0.925 0.000 2.383 295 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 295 S C 1.855 176.322 174.600 -0.220 0.000 1.026 295 S CA 1.372 59.282 58.200 -0.482 0.000 0.981 295 S CB -0.023 63.020 63.200 -0.262 0.000 0.818 295 S HN 0.225 nan 8.310 nan 0.000 0.472 296 V N 0.997 120.785 119.914 -0.211 0.000 3.590 296 V HA 0.310 4.430 4.120 -0.000 0.000 0.265 296 V C 1.695 177.797 176.094 0.014 0.000 1.239 296 V CA 0.459 62.739 62.300 -0.033 0.000 1.117 296 V CB -0.169 31.631 31.823 -0.038 0.000 0.818 296 V HN 0.468 nan 8.190 nan 0.000 0.451 297 L N -0.984 120.158 121.223 -0.135 0.000 2.072 297 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 297 L C 2.257 179.199 176.870 0.120 0.000 1.079 297 L CA 1.895 56.726 54.840 -0.015 0.000 0.752 297 L CB -0.465 41.499 42.059 -0.160 0.000 0.906 297 L HN 0.315 nan 8.230 nan 0.000 0.436 298 F N -1.403 118.463 119.950 -0.140 0.000 2.186 298 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 298 F C 2.917 178.701 175.800 -0.026 0.000 1.090 298 F CA 0.826 58.629 58.000 -0.329 0.000 1.307 298 F CB -0.294 37.986 39.000 -1.199 0.000 1.019 298 F HN 0.055 nan 8.300 nan 0.000 0.489 299 S N -0.418 115.490 115.700 0.346 0.000 2.368 299 S HA -0.240 4.229 4.470 -0.000 0.000 0.224 299 S C 1.922 176.805 174.600 0.472 0.000 1.029 299 S CA 1.049 59.540 58.200 0.485 0.000 0.988 299 S CB -0.541 62.884 63.200 0.375 0.000 0.838 299 S HN 0.414 nan 8.310 nan 0.000 0.462 300 Y N 2.206 122.682 120.300 0.294 0.000 2.263 300 Y HA 0.017 4.567 4.550 -0.000 0.000 0.292 300 Y C 2.577 178.758 175.900 0.468 0.000 1.130 300 Y CA 1.726 60.027 58.100 0.335 0.000 1.179 300 Y CB -0.999 37.660 38.460 0.331 0.000 0.998 300 Y HN 0.239 nan 8.280 nan 0.000 0.532 301 T N 0.808 115.656 114.554 0.490 0.000 2.746 301 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 301 T C 2.058 177.120 174.700 0.604 0.000 1.039 301 T CA 1.752 64.210 62.100 0.596 0.000 1.142 301 T CB -0.479 68.672 68.868 0.472 0.000 0.866 301 T HN 0.382 nan 8.240 nan 0.000 0.444 302 I N 0.571 121.429 120.570 0.479 0.000 2.676 302 I HA -0.002 4.168 4.170 -0.000 0.000 0.259 302 I C 1.521 177.863 176.117 0.375 0.000 1.194 302 I CA 0.770 62.355 61.300 0.474 0.000 1.473 302 I CB 0.032 38.334 38.000 0.504 0.000 1.096 302 I HN 0.229 nan 8.210 nan 0.000 0.443 303 L N -0.581 120.752 121.223 0.182 0.000 2.376 303 L HA -0.110 4.230 4.340 -0.000 0.000 0.219 303 L C 1.485 178.244 176.870 -0.185 0.000 1.133 303 L CA 0.814 55.610 54.840 -0.072 0.000 0.816 303 L CB -0.302 41.577 42.059 -0.300 0.000 0.933 303 L HN 0.179 nan 8.230 nan 0.000 0.449 304 F N -2.997 117.153 119.950 0.334 0.000 2.717 304 F HA 0.068 4.594 4.527 -0.000 0.000 0.295 304 F C 1.827 177.818 175.800 0.320 0.000 1.117 304 F CA 0.054 58.260 58.000 0.344 0.000 1.361 304 F CB -0.198 38.970 39.000 0.280 0.000 1.112 304 F HN -0.106 nan 8.300 nan 0.000 0.594 305 Y N 0.433 121.028 120.300 0.491 0.000 2.301 305 Y HA 0.194 4.744 4.550 -0.000 0.000 0.295 305 Y C 1.123 177.163 175.900 0.232 0.000 1.119 305 Y CA -0.071 58.232 58.100 0.339 0.000 1.162 305 Y CB -0.212 38.350 38.460 0.171 0.000 1.046 305 Y HN -0.260 nan 8.280 nan 0.000 0.538 306 I N 0.832 121.617 120.570 0.359 0.000 2.752 306 I HA -0.185 3.984 4.170 -0.000 0.000 0.289 306 I C 1.640 177.838 176.117 0.135 0.000 1.197 306 I CA 0.392 61.824 61.300 0.219 0.000 1.432 306 I CB 0.529 38.648 38.000 0.198 0.000 1.359 306 I HN 0.223 nan 8.210 nan 0.000 0.571 307 H N 6.633 125.696 119.070 -0.012 0.000 2.389 307 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 307 H C 1.698 176.927 175.328 -0.164 0.000 1.081 307 H CA 1.885 57.903 56.048 -0.051 0.000 1.345 307 H CB 0.182 29.919 29.762 -0.041 0.000 1.393 307 H HN 0.639 nan 8.280 nan 0.000 0.520 308 I N -0.646 119.650 120.570 -0.457 0.000 2.252 308 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 308 I C -0.253 175.442 176.117 -0.704 0.000 1.102 308 I CA 0.788 61.617 61.300 -0.786 0.000 1.385 308 I CB -0.047 37.196 38.000 -1.262 0.000 1.064 308 I HN 0.132 nan 8.210 nan 0.000 0.414 309 F N 0.327 120.192 119.950 -0.142 0.000 3.361 309 F HA 0.829 5.356 4.527 -0.000 0.000 0.390 309 F C -0.477 175.214 175.800 -0.182 0.000 1.251 309 F CA -1.497 56.383 58.000 -0.199 0.000 1.260 309 F CB -0.379 38.458 39.000 -0.272 0.000 1.847 309 F HN -0.090 nan 8.300 nan 0.000 0.673 310 A N 1.003 123.841 122.820 0.031 0.000 2.467 310 A HA 0.732 5.052 4.320 -0.000 0.000 0.301 310 A C -0.838 176.753 177.584 0.012 0.000 1.126 310 A CA -0.719 51.343 52.037 0.042 0.000 0.632 310 A CB 0.330 19.440 19.000 0.183 0.000 1.331 310 A HN 0.345 nan 8.150 nan 0.000 0.482 311 F N -0.085 119.925 119.950 0.099 0.000 2.123 311 F HA -0.005 4.522 4.527 -0.000 0.000 0.289 311 F C 2.660 178.420 175.800 -0.067 0.000 1.099 311 F CA 2.499 60.509 58.000 0.016 0.000 1.234 311 F CB -0.013 39.117 39.000 0.217 0.000 1.034 311 F HN 0.465 nan 8.300 nan 0.000 0.479 312 V N -1.039 119.079 119.914 0.339 0.000 2.453 312 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 312 V C 1.706 177.904 176.094 0.175 0.000 1.048 312 V CA 1.571 64.018 62.300 0.245 0.000 1.049 312 V CB -0.663 31.336 31.823 0.293 0.000 0.672 312 V HN 0.325 nan 8.190 nan 0.000 0.457 313 L N -0.875 120.464 121.223 0.192 0.000 2.640 313 L HA 0.490 4.830 4.340 -0.000 0.000 0.230 313 L C 1.659 178.663 176.870 0.224 0.000 1.123 313 L CA 1.014 55.987 54.840 0.222 0.000 0.900 313 L CB -0.085 42.140 42.059 0.277 0.000 1.146 313 L HN 0.286 nan 8.230 nan 0.000 0.484 314 I N -1.730 118.881 120.570 0.068 0.000 4.035 314 I HA 0.020 4.190 4.170 -0.000 0.000 0.321 314 I C 1.815 177.874 176.117 -0.098 0.000 1.289 314 I CA 0.178 61.474 61.300 -0.006 0.000 1.236 314 I CB 0.322 38.300 38.000 -0.036 0.000 1.076 314 I HN 0.299 nan 8.210 nan 0.000 0.418 315 Q N 1.444 121.105 119.800 -0.232 0.000 2.297 315 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 315 Q C 2.175 178.169 176.000 -0.011 0.000 0.962 315 Q CA 0.963 56.613 55.803 -0.256 0.000 0.879 315 Q CB 0.294 28.867 28.738 -0.274 0.000 0.947 315 Q HN 0.526 nan 8.270 nan 0.000 0.462 316 L N -0.767 120.501 121.223 0.075 0.000 2.072 316 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 316 L C 2.288 179.250 176.870 0.154 0.000 1.079 316 L CA 0.657 55.596 54.840 0.165 0.000 0.752 316 L CB -0.485 41.719 42.059 0.242 0.000 0.906 316 L HN 0.116 nan 8.230 nan 0.000 0.436 317 V N -0.105 119.896 119.914 0.145 0.000 3.235 317 V HA 0.036 4.155 4.120 -0.000 0.000 0.259 317 V C 2.443 178.588 176.094 0.084 0.000 1.133 317 V CA 1.180 63.563 62.300 0.139 0.000 1.128 317 V CB 0.341 32.279 31.823 0.191 0.000 0.757 317 V HN 0.364 nan 8.190 nan 0.000 0.469 318 A N 0.352 123.219 122.820 0.078 0.000 1.897 318 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 318 A C 2.143 179.778 177.584 0.084 0.000 1.181 318 A CA 1.891 53.981 52.037 0.088 0.000 0.620 318 A CB -0.454 18.649 19.000 0.171 0.000 0.821 318 A HN 0.510 nan 8.150 nan 0.000 0.443 319 K N 1.101 121.545 120.400 0.075 0.000 2.057 319 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 319 K C 0.069 176.688 176.600 0.032 0.000 1.050 319 K CA 1.164 57.482 56.287 0.050 0.000 0.935 319 K CB -0.706 31.818 32.500 0.040 0.000 0.715 319 K HN 0.575 nan 8.250 nan 0.000 0.439 320 N N 1.448 120.174 118.700 0.045 0.000 2.431 320 N HA 0.001 4.741 4.740 -0.000 0.000 0.265 320 N C 0.091 175.629 175.510 0.046 0.000 1.184 320 N CA -0.259 52.811 53.050 0.033 0.000 0.943 320 N CB 1.082 39.612 38.487 0.072 0.000 1.080 320 N HN 0.199 nan 8.380 nan 0.000 0.477 321 E N 1.738 121.957 120.200 0.031 0.000 2.077 321 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 321 E C -1.499 175.129 176.600 0.046 0.000 0.989 321 E CA 0.676 57.097 56.400 0.034 0.000 0.800 321 E CB -1.065 28.649 29.700 0.022 0.000 0.746 321 E HN 0.577 nan 8.360 nan 0.000 0.452 322 P HA 0.066 nan 4.420 nan 0.000 0.275 322 P C -0.768 176.586 177.300 0.090 0.000 1.227 322 P CA 0.125 63.290 63.100 0.108 0.000 0.781 322 P CB 1.173 33.026 31.700 0.254 0.000 0.906 323 T N -0.269 114.210 114.554 -0.125 0.000 2.791 323 T HA 0.616 4.966 4.350 -0.000 0.000 0.288 323 T C -0.413 174.030 174.700 -0.429 0.000 0.999 323 T CA -0.446 61.566 62.100 -0.147 0.000 0.952 323 T CB 0.935 69.738 68.868 -0.108 0.000 0.938 323 T HN 0.477 nan 8.240 nan 0.000 0.444 324 H N 1.302 120.393 119.070 0.034 0.000 4.318 324 H HA 0.458 5.014 4.556 -0.000 0.000 0.435 324 H C 1.349 176.697 175.328 0.035 0.000 1.259 324 H CA -0.709 55.359 56.048 0.033 0.000 0.820 324 H CB 0.275 30.058 29.762 0.034 0.000 1.067 324 H HN 0.473 nan 8.280 nan 0.000 0.805 325 I N 1.318 122.011 120.570 0.205 0.000 2.286 325 I HA -0.032 4.138 4.170 -0.000 0.000 0.248 325 I C 0.181 176.369 176.117 0.119 0.000 1.115 325 I CA 1.240 62.612 61.300 0.121 0.000 1.392 325 I CB 0.103 38.159 38.000 0.093 0.000 1.065 325 I HN 0.345 nan 8.210 nan 0.000 0.418 326 I N -0.892 119.771 120.570 0.154 0.000 2.392 326 I HA 0.471 4.641 4.170 -0.000 0.000 0.295 326 I C -0.458 175.743 176.117 0.140 0.000 0.985 326 I CA -0.688 60.720 61.300 0.180 0.000 1.221 326 I CB 1.501 39.643 38.000 0.236 0.000 1.366 326 I HN 0.040 nan 8.210 nan 0.000 0.467 327 C N 4.660 124.011 119.300 0.085 0.000 3.295 327 C HA 0.366 4.826 4.460 -0.000 0.000 0.341 327 C C 0.339 175.316 174.990 -0.022 0.000 1.418 327 C CA -0.823 58.216 59.018 0.036 0.000 1.240 327 C CB 2.273 30.022 27.740 0.015 0.000 1.562 327 C HN 1.035 nan 8.230 nan 0.000 0.457 328 K N 2.150 122.507 120.400 -0.072 0.000 2.627 328 K HA 0.164 4.484 4.320 -0.000 0.000 0.212 328 K C 1.093 177.454 176.600 -0.399 0.000 1.041 328 K CA 0.655 56.822 56.287 -0.201 0.000 1.205 328 K CB -0.413 31.974 32.500 -0.188 0.000 0.936 328 K HN 0.774 nan 8.250 nan 0.000 0.489 329 I N -2.827 117.626 120.570 -0.194 0.000 2.676 329 I HA -0.144 4.026 4.170 -0.000 0.000 0.259 329 I C 1.601 177.643 176.117 -0.125 0.000 1.194 329 I CA 0.500 61.732 61.300 -0.114 0.000 1.473 329 I CB -0.417 37.567 38.000 -0.027 0.000 1.096 329 I HN 0.042 nan 8.210 nan 0.000 0.443 330 M N 1.863 121.356 119.600 -0.178 0.000 2.175 330 M HA 0.210 4.689 4.480 -0.000 0.000 0.264 330 M C 1.119 177.325 176.300 -0.156 0.000 1.063 330 M CA 1.099 56.275 55.300 -0.206 0.000 1.119 330 M CB -1.438 30.965 32.600 -0.328 0.000 1.377 330 M HN 0.499 nan 8.290 nan 0.000 0.415 331 G N -0.973 107.727 108.800 -0.166 0.000 2.429 331 G HA2 0.369 4.329 3.960 -0.000 0.000 0.300 331 G HA3 0.369 4.329 3.960 -0.000 0.000 0.300 331 G C -1.928 172.906 174.900 -0.110 0.000 1.598 331 G CA -0.898 44.137 45.100 -0.109 0.000 0.863 331 G HN 0.365 nan 8.290 nan 0.000 0.614 332 H N 0.252 119.312 119.070 -0.016 0.000 2.597 332 H HA 0.507 5.063 4.556 -0.000 0.000 0.303 332 H C -1.171 174.099 175.328 -0.098 0.000 1.057 332 H CA -0.168 55.887 56.048 0.012 0.000 1.261 332 H CB 1.029 30.788 29.762 -0.005 0.000 1.397 332 H HN 0.424 nan 8.280 nan 0.000 0.461 333 Y N 2.008 122.350 120.300 0.068 0.000 2.464 333 Y HA 0.385 4.935 4.550 -0.000 0.000 0.326 333 Y C 0.313 176.254 175.900 0.068 0.000 0.969 333 Y CA -0.389 57.743 58.100 0.054 0.000 1.270 333 Y CB 1.025 39.515 38.460 0.051 0.000 1.103 333 Y HN 0.693 nan 8.280 nan 0.000 0.491 334 E N 0.837 121.114 120.200 0.129 0.000 2.435 334 E HA 0.268 4.617 4.350 -0.000 0.000 0.277 334 E C -1.157 175.477 176.600 0.056 0.000 1.106 334 E CA -1.012 55.448 56.400 0.101 0.000 0.868 334 E CB 1.219 30.980 29.700 0.102 0.000 1.454 334 E HN 0.457 nan 8.360 nan 0.000 0.452 335 N N 0.141 118.867 118.700 0.044 0.000 2.416 335 N HA 0.299 5.039 4.740 -0.000 0.000 0.246 335 N C -0.792 174.721 175.510 0.006 0.000 1.260 335 N CA 0.670 53.734 53.050 0.024 0.000 0.897 335 N CB 1.114 39.614 38.487 0.021 0.000 1.110 335 N HN 0.444 nan 8.380 nan 0.000 0.439 336 A N 1.188 124.005 122.820 -0.005 0.000 2.479 336 A HA 0.406 4.726 4.320 -0.000 0.000 0.296 336 A C 0.627 178.199 177.584 -0.020 0.000 1.121 336 A CA -0.736 51.289 52.037 -0.021 0.000 0.743 336 A CB 1.000 19.981 19.000 -0.032 0.000 1.323 336 A HN 0.585 nan 8.150 nan 0.000 0.415 337 N N 1.013 119.696 118.700 -0.027 0.000 2.188 337 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 337 N C 0.286 175.781 175.510 -0.026 0.000 1.018 337 N CA 0.719 53.754 53.050 -0.026 0.000 0.858 337 N CB -0.394 38.075 38.487 -0.031 0.000 0.989 337 N HN 0.677 nan 8.380 nan 0.000 0.426 338 N N 1.285 119.966 118.700 -0.032 0.000 2.305 338 N HA -0.069 4.670 4.740 -0.000 0.000 0.232 338 N C 1.558 177.048 175.510 -0.033 0.000 1.274 338 N CA 0.058 53.086 53.050 -0.036 0.000 0.870 338 N CB 0.690 39.150 38.487 -0.045 0.000 1.105 338 N HN 0.088 nan 8.380 nan 0.000 0.436 339 L N -0.200 120.999 121.223 -0.039 0.000 2.083 339 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 339 L C 1.084 177.930 176.870 -0.040 0.000 1.083 339 L CA 0.951 55.769 54.840 -0.036 0.000 0.752 339 L CB -0.129 41.904 42.059 -0.043 0.000 0.899 339 L HN 0.391 nan 8.230 nan 0.000 0.433 340 L N 0.528 121.713 121.223 -0.064 0.000 2.333 340 L HA 0.637 4.977 4.340 -0.000 0.000 0.280 340 L C -0.774 176.063 176.870 -0.054 0.000 1.004 340 L CA -0.276 54.520 54.840 -0.073 0.000 0.820 340 L CB 1.503 43.465 42.059 -0.160 0.000 1.247 340 L HN -0.101 nan 8.230 nan 0.000 0.416 341 A N 6.318 129.126 122.820 -0.021 0.000 2.273 341 A HA 0.729 5.049 4.320 -0.000 0.000 0.315 341 A C -0.598 176.990 177.584 0.007 0.000 1.256 341 A CA -0.327 51.702 52.037 -0.012 0.000 0.851 341 A CB 1.034 20.037 19.000 0.005 0.000 1.172 341 A HN 0.797 nan 8.150 nan 0.000 0.508 342 V N -0.501 119.396 119.914 -0.027 0.000 3.181 342 V HA 0.774 4.894 4.120 -0.000 0.000 0.307 342 V C -2.921 173.075 176.094 -0.164 0.000 1.310 342 V CA -2.423 59.856 62.300 -0.035 0.000 1.067 342 V CB 1.479 33.298 31.823 -0.007 0.000 1.081 342 V HN 0.640 nan 8.190 nan 0.000 0.453 343 P HA 0.155 nan 4.420 nan 0.000 0.262 343 P C 0.586 177.702 177.300 -0.306 0.000 1.199 343 P CA 0.491 63.249 63.100 -0.569 0.000 0.763 343 P CB 0.814 31.783 31.700 -1.218 0.000 0.790 344 T N 2.460 116.912 114.554 -0.171 0.000 2.770 344 T HA -0.027 4.323 4.350 -0.000 0.000 0.263 344 T C 0.239 174.951 174.700 0.019 0.000 1.039 344 T CA 1.311 63.368 62.100 -0.071 0.000 1.142 344 T CB -0.270 68.565 68.868 -0.054 0.000 0.868 344 T HN 0.459 nan 8.240 nan 0.000 0.435 345 F N 3.273 123.147 119.950 -0.127 0.000 2.831 345 F HA 0.468 4.995 4.527 -0.000 0.000 0.346 345 F C -2.952 172.845 175.800 -0.005 0.000 1.224 345 F CA -2.345 55.606 58.000 -0.081 0.000 1.048 345 F CB 1.856 40.812 39.000 -0.073 0.000 1.339 345 F HN -0.122 nan 8.300 nan 0.000 0.514 346 P HA 0.446 nan 4.420 nan 0.000 0.310 346 P C -0.101 176.767 177.300 -0.720 0.000 1.292 346 P CA -0.536 62.269 63.100 -0.491 0.000 0.861 346 P CB 2.569 34.019 31.700 -0.416 0.000 1.337 347 L N -0.686 120.323 121.223 -0.355 0.000 2.567 347 L HA 0.102 4.442 4.340 -0.000 0.000 0.225 347 L C 0.840 177.608 176.870 -0.170 0.000 1.119 347 L CA 0.527 55.236 54.840 -0.218 0.000 0.871 347 L CB -0.304 41.754 42.059 -0.001 0.000 1.036 347 L HN 0.208 nan 8.230 nan 0.000 0.459 348 S N 1.321 116.877 115.700 -0.240 0.000 3.900 348 S HA 0.153 4.622 4.470 -0.000 0.000 0.248 348 S C 0.869 175.259 174.600 -0.350 0.000 1.310 348 S CA -0.197 57.839 58.200 -0.273 0.000 0.915 348 S CB 0.033 63.032 63.200 -0.336 0.000 1.588 348 S HN 0.149 nan 8.310 nan 0.000 0.472 349 L N 1.535 122.573 121.223 -0.308 0.000 2.607 349 L HA 0.276 4.616 4.340 -0.000 0.000 0.228 349 L C 1.281 178.017 176.870 -0.224 0.000 1.123 349 L CA 0.614 55.305 54.840 -0.248 0.000 0.890 349 L CB -0.233 41.721 42.059 -0.174 0.000 1.103 349 L HN 0.423 nan 8.230 nan 0.000 0.468 350 L N -0.202 120.835 121.223 -0.309 0.000 2.558 350 L HA 0.234 4.573 4.340 -0.000 0.000 0.225 350 L C 1.354 178.035 176.870 -0.316 0.000 1.128 350 L CA 0.123 54.807 54.840 -0.260 0.000 0.868 350 L CB -0.732 41.033 42.059 -0.490 0.000 1.006 350 L HN 0.117 nan 8.230 nan 0.000 0.454 351 A N 1.152 123.723 122.820 -0.414 0.000 2.404 351 A HA 0.477 4.797 4.320 -0.000 0.000 0.273 351 A C -2.163 175.135 177.584 -0.477 0.000 1.144 351 A CA -1.034 50.744 52.037 -0.432 0.000 0.806 351 A CB -0.576 17.999 19.000 -0.708 0.000 1.080 351 A HN -0.042 nan 8.150 nan 0.000 0.509 352 P HA 0.197 nan 4.420 nan 0.000 0.271 352 P C -2.100 175.114 177.300 -0.144 0.000 1.218 352 P CA -1.155 61.574 63.100 -0.618 0.000 0.780 352 P CB 0.512 32.020 31.700 -0.319 0.000 0.901 353 P HA 0.036 nan 4.420 nan 0.000 0.257 353 P C 0.604 177.956 177.300 0.086 0.000 1.241 353 P CA 0.491 63.606 63.100 0.026 0.000 0.816 353 P CB 0.413 32.157 31.700 0.074 0.000 1.150 354 T N -0.272 114.363 114.554 0.135 0.000 2.828 354 T HA 0.420 4.770 4.350 -0.000 0.000 0.290 354 T C 0.060 174.873 174.700 0.188 0.000 1.019 354 T CA 0.329 62.526 62.100 0.163 0.000 1.031 354 T CB 0.305 69.286 68.868 0.190 0.000 1.001 354 T HN -0.062 nan 8.240 nan 0.000 0.531 355 S N -0.078 115.741 115.700 0.199 0.000 2.672 355 S HA 0.384 4.854 4.470 -0.000 0.000 0.271 355 S C -0.986 173.780 174.600 0.276 0.000 1.171 355 S CA -0.777 57.583 58.200 0.267 0.000 0.817 355 S CB 0.542 63.848 63.200 0.178 0.000 1.150 355 S HN 0.740 nan 8.310 nan 0.000 0.478 356 F N 1.597 121.655 119.950 0.182 0.000 2.626 356 F HA 0.722 5.249 4.527 -0.000 0.000 0.374 356 F C -0.375 175.393 175.800 -0.053 0.000 1.184 356 F CA -0.286 57.717 58.000 0.005 0.000 1.339 356 F CB -1.228 37.642 39.000 -0.217 0.000 1.730 356 F HN 0.294 nan 8.300 nan 0.000 0.650 357 F N -0.336 119.539 119.950 -0.124 0.000 3.698 357 F HA 0.514 5.041 4.527 -0.000 0.000 0.330 357 F C -0.256 175.513 175.800 -0.052 0.000 1.176 357 F CA -1.353 56.554 58.000 -0.156 0.000 0.899 357 F CB 0.688 39.549 39.000 -0.231 0.000 1.645 357 F HN -0.356 nan 8.300 nan 0.000 0.522 358 K N 0.185 120.722 120.400 0.228 0.000 2.106 358 K HA 0.580 4.900 4.320 -0.000 0.000 0.246 358 K C 0.043 176.710 176.600 0.111 0.000 0.987 358 K CA -0.274 56.087 56.287 0.123 0.000 0.904 358 K CB 0.866 33.422 32.500 0.093 0.000 1.071 358 K HN 0.642 nan 8.250 nan 0.000 0.453 359 G N -0.321 108.527 108.800 0.081 0.000 2.699 359 G HA2 0.304 4.264 3.960 -0.000 0.000 0.246 359 G HA3 0.304 4.264 3.960 -0.000 0.000 0.246 359 G C -0.879 174.049 174.900 0.046 0.000 1.219 359 G CA -0.514 44.632 45.100 0.078 0.000 0.866 359 G HN 0.286 nan 8.290 nan 0.000 0.572 360 V N 0.412 120.356 119.914 0.050 0.000 2.378 360 V HA 0.340 4.460 4.120 -0.000 0.000 0.288 360 V C 0.977 177.069 176.094 -0.004 0.000 1.016 360 V CA 0.097 62.412 62.300 0.024 0.000 0.840 360 V CB 1.352 33.198 31.823 0.039 0.000 0.994 360 V HN 1.015 nan 8.190 nan 0.000 0.431 361 T N 0.073 114.609 114.554 -0.030 0.000 3.023 361 T HA 0.052 4.402 4.350 -0.000 0.000 0.253 361 T C 1.109 175.787 174.700 -0.036 0.000 1.038 361 T CA -0.137 61.927 62.100 -0.060 0.000 0.962 361 T CB 0.271 69.104 68.868 -0.059 0.000 1.018 361 T HN 0.453 nan 8.240 nan 0.000 0.521 362 Q N 1.232 121.022 119.800 -0.016 0.000 2.389 362 Q HA 0.209 4.549 4.340 -0.000 0.000 0.204 362 Q C 0.376 176.378 176.000 0.004 0.000 0.944 362 Q CA 0.697 56.494 55.803 -0.010 0.000 0.908 362 Q CB 0.181 28.911 28.738 -0.014 0.000 1.002 362 Q HN 0.675 nan 8.270 nan 0.000 0.493 363 Q N 0.380 120.193 119.800 0.023 0.000 2.394 363 Q HA 0.234 4.574 4.340 -0.000 0.000 0.261 363 Q C -2.050 173.996 176.000 0.076 0.000 1.023 363 Q CA -1.501 54.330 55.803 0.047 0.000 0.720 363 Q CB 1.850 30.622 28.738 0.058 0.000 1.241 363 Q HN -0.063 nan 8.270 nan 0.000 0.483 364 P HA -0.021 nan 4.420 nan 0.000 0.230 364 P C 0.741 178.129 177.300 0.147 0.000 1.168 364 P CA 0.338 63.486 63.100 0.081 0.000 0.793 364 P CB 0.507 32.223 31.700 0.026 0.000 0.851 365 L N -1.204 120.084 121.223 0.108 0.000 2.109 365 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 365 L C 2.437 179.375 176.870 0.113 0.000 1.086 365 L CA 1.879 56.779 54.840 0.099 0.000 0.760 365 L CB -1.803 40.300 42.059 0.073 0.000 0.910 365 L HN -0.000 nan 8.230 nan 0.000 0.437 366 T N -1.665 112.960 114.554 0.119 0.000 2.995 366 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 366 T C 1.725 176.518 174.700 0.155 0.000 1.091 366 T CA 0.666 62.822 62.100 0.092 0.000 1.128 366 T CB -0.217 68.677 68.868 0.043 0.000 0.891 366 T HN 0.211 nan 8.240 nan 0.000 0.492 367 F N 0.896 120.896 119.950 0.084 0.000 2.163 367 F HA 0.160 4.687 4.527 -0.000 0.000 0.297 367 F C 1.845 177.710 175.800 0.109 0.000 1.094 367 F CA 1.093 59.170 58.000 0.128 0.000 1.290 367 F CB -0.076 38.977 39.000 0.088 0.000 1.017 367 F HN 0.140 nan 8.300 nan 0.000 0.483 368 I N -0.249 120.470 120.570 0.247 0.000 2.252 368 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 368 I C 2.453 178.601 176.117 0.051 0.000 1.102 368 I CA 1.765 63.151 61.300 0.143 0.000 1.385 368 I CB -0.791 37.286 38.000 0.127 0.000 1.064 368 I HN 0.245 nan 8.210 nan 0.000 0.414 369 T N -1.579 113.009 114.554 0.055 0.000 2.821 369 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 369 T C 1.923 176.650 174.700 0.044 0.000 1.046 369 T CA 1.004 63.123 62.100 0.032 0.000 1.139 369 T CB -0.707 68.166 68.868 0.008 0.000 0.871 369 T HN 0.324 nan 8.240 nan 0.000 0.454 370 Y N 2.525 122.763 120.300 -0.104 0.000 2.163 370 Y HA 0.018 4.568 4.550 -0.000 0.000 0.288 370 Y C 2.636 178.474 175.900 -0.103 0.000 1.136 370 Y CA 0.895 58.916 58.100 -0.133 0.000 1.147 370 Y CB -0.779 37.548 38.460 -0.220 0.000 0.987 370 Y HN 0.240 nan 8.280 nan 0.000 0.509 371 S N 0.421 115.872 115.700 -0.416 0.000 2.368 371 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 371 S C 2.315 176.783 174.600 -0.220 0.000 1.029 371 S CA 1.078 59.024 58.200 -0.423 0.000 0.988 371 S CB -0.815 62.226 63.200 -0.265 0.000 0.838 371 S HN 0.611 nan 8.310 nan 0.000 0.462 372 A N 0.702 123.458 122.820 -0.106 0.000 1.902 372 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 372 A C 1.900 179.441 177.584 -0.073 0.000 1.181 372 A CA 1.276 53.275 52.037 -0.063 0.000 0.623 372 A CB -0.825 18.162 19.000 -0.023 0.000 0.818 372 A HN 0.486 nan 8.150 nan 0.000 0.443 373 F N 1.115 120.970 119.950 -0.159 0.000 2.146 373 F HA -0.120 4.406 4.527 -0.000 0.000 0.298 373 F C 2.054 177.784 175.800 -0.117 0.000 1.096 373 F CA 1.867 59.778 58.000 -0.148 0.000 1.275 373 F CB -0.090 38.819 39.000 -0.152 0.000 1.008 373 F HN 0.349 nan 8.300 nan 0.000 0.480 374 I N -2.645 117.918 120.570 -0.011 0.000 3.059 374 I HA -0.081 4.089 4.170 -0.000 0.000 0.270 374 I C 1.638 177.720 176.117 -0.058 0.000 1.238 374 I CA 0.774 62.066 61.300 -0.013 0.000 1.478 374 I CB -0.492 37.458 38.000 -0.084 0.000 1.097 374 I HN 0.071 nan 8.210 nan 0.000 0.455 375 L N 0.759 121.920 121.223 -0.103 0.000 2.131 375 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 375 L C 2.555 179.379 176.870 -0.077 0.000 1.087 375 L CA 1.209 56.005 54.840 -0.074 0.000 0.767 375 L CB -0.496 41.520 42.059 -0.071 0.000 0.917 375 L HN 0.082 nan 8.230 nan 0.000 0.441 376 V N -1.105 118.713 119.914 -0.159 0.000 2.427 376 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 376 V C 2.295 178.275 176.094 -0.190 0.000 1.051 376 V CA 2.162 64.340 62.300 -0.204 0.000 1.048 376 V CB -0.711 30.906 31.823 -0.343 0.000 0.666 376 V HN 0.475 nan 8.190 nan 0.000 0.456 377 T N -0.045 114.366 114.554 -0.238 0.000 3.023 377 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 377 T C 1.812 176.616 174.700 0.172 0.000 1.093 377 T CA 1.108 63.151 62.100 -0.095 0.000 1.129 377 T CB -0.185 68.671 68.868 -0.021 0.000 0.899 377 T HN 0.603 nan 8.240 nan 0.000 0.491 378 G N 1.986 110.860 108.800 0.124 0.000 2.430 378 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.216 378 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.216 378 G C 1.494 176.479 174.900 0.143 0.000 1.146 378 G CA 0.511 45.705 45.100 0.156 0.000 0.793 378 G HN 0.661 nan 8.290 nan 0.000 0.537 379 I N -4.218 116.413 120.570 0.101 0.000 3.427 379 I HA 0.240 4.410 4.170 -0.000 0.000 0.288 379 I C 2.265 178.458 176.117 0.126 0.000 1.249 379 I CA -0.219 61.135 61.300 0.091 0.000 1.421 379 I CB -0.164 37.868 38.000 0.053 0.000 1.086 379 I HN 0.247 nan 8.210 nan 0.000 0.448 380 W N 2.209 123.451 121.300 -0.097 0.000 2.407 380 W HA -0.100 4.560 4.660 -0.000 0.000 0.305 380 W C 1.494 177.927 176.519 -0.143 0.000 1.196 380 W CA 1.207 58.436 57.345 -0.194 0.000 1.311 380 W CB -0.304 28.926 29.460 -0.383 0.000 1.135 380 W HN 0.112 nan 8.180 nan 0.000 0.514 381 F N 0.702 120.786 119.950 0.223 0.000 2.710 381 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 381 F C 2.544 178.427 175.800 0.138 0.000 1.137 381 F CA 0.800 58.910 58.000 0.184 0.000 1.444 381 F CB -0.510 38.690 39.000 0.334 0.000 1.111 381 F HN -0.126 nan 8.300 nan 0.000 0.580 382 A N 0.873 123.835 122.820 0.237 0.000 1.897 382 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 382 A C 1.681 179.349 177.584 0.141 0.000 1.181 382 A CA 1.989 54.125 52.037 0.165 0.000 0.620 382 A CB -0.858 18.199 19.000 0.095 0.000 0.821 382 A HN 0.504 nan 8.150 nan 0.000 0.443 383 D N -1.375 119.050 120.400 0.042 0.000 2.323 383 D HA -0.071 4.569 4.640 -0.000 0.000 0.209 383 D C 1.500 177.766 176.300 -0.058 0.000 0.973 383 D CA 0.715 54.699 54.000 -0.027 0.000 0.874 383 D CB 0.064 40.811 40.800 -0.088 0.000 0.930 383 D HN 0.100 nan 8.370 nan 0.000 0.521 384 K N 0.056 120.437 120.400 -0.032 0.000 2.116 384 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 384 K C 1.683 178.331 176.600 0.081 0.000 1.052 384 K CA 0.515 56.790 56.287 -0.019 0.000 0.952 384 K CB -0.986 31.551 32.500 0.062 0.000 0.729 384 K HN 0.430 nan 8.250 nan 0.000 0.446 385 W N 2.165 123.457 121.300 -0.015 0.000 2.388 385 W HA -0.190 4.470 4.660 -0.000 0.000 0.294 385 W C 1.898 178.360 176.519 -0.095 0.000 1.212 385 W CA 1.415 58.737 57.345 -0.038 0.000 1.271 385 W CB 0.206 29.660 29.460 -0.009 0.000 1.126 385 W HN 0.287 nan 8.180 nan 0.000 0.535 386 Q N 0.281 120.088 119.800 0.012 0.000 2.079 386 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 386 Q C 2.364 178.268 176.000 -0.160 0.000 0.974 386 Q CA 1.979 57.732 55.803 -0.083 0.000 0.840 386 Q CB -0.366 28.360 28.738 -0.019 0.000 0.898 386 Q HN 0.146 nan 8.270 nan 0.000 0.430 387 A N 0.687 123.420 122.820 -0.145 0.000 1.898 387 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 387 A C 1.160 178.603 177.584 -0.234 0.000 1.181 387 A CA 0.693 52.637 52.037 -0.156 0.000 0.620 387 A CB -0.252 18.669 19.000 -0.132 0.000 0.819 387 A HN 0.405 nan 8.150 nan 0.000 0.442 388 I N 0.532 120.884 120.570 -0.364 0.000 2.241 388 I HA 0.115 4.285 4.170 -0.000 0.000 0.294 388 I C 1.332 176.993 176.117 -0.760 0.000 1.145 388 I CA -0.216 60.687 61.300 -0.662 0.000 1.261 388 I CB 0.095 37.636 38.000 -0.764 0.000 1.475 388 I HN 0.416 nan 8.210 nan 0.000 0.533 389 S N 4.900 120.270 115.700 -0.550 0.000 4.143 389 S HA -0.348 4.122 4.470 -0.000 0.000 0.538 389 S C 1.320 175.643 174.600 -0.462 0.000 0.987 389 S CA 2.215 60.173 58.200 -0.403 0.000 3.441 389 S CB -1.108 61.920 63.200 -0.286 0.000 2.297 389 S HN 1.352 nan 8.310 nan 0.000 0.472 390 G N 0.010 108.521 108.800 -0.481 0.000 2.514 390 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.265 390 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.265 390 G C 0.034 174.805 174.900 -0.214 0.000 1.150 390 G CA 0.943 45.792 45.100 -0.418 0.000 0.959 390 G HN 2.238 nan 8.290 nan 0.000 0.556 391 S N -0.244 115.366 115.700 -0.150 0.000 2.404 391 S HA 0.630 5.099 4.470 -0.000 0.000 0.309 391 S C 0.024 174.557 174.600 -0.111 0.000 1.076 391 S CA 0.747 58.890 58.200 -0.095 0.000 1.095 391 S CB 1.541 64.708 63.200 -0.056 0.000 0.972 391 S HN 1.650 nan 8.310 nan 0.000 0.484 392 S N 2.601 118.236 115.700 -0.108 0.000 2.545 392 S HA 0.533 5.003 4.470 -0.000 0.000 0.275 392 S C 1.340 175.894 174.600 -0.077 0.000 1.299 392 S CA -0.247 57.890 58.200 -0.105 0.000 1.048 392 S CB 0.644 63.787 63.200 -0.096 0.000 0.938 392 S HN 0.950 nan 8.310 nan 0.000 0.496 393 A N 5.064 127.843 122.820 -0.068 0.000 1.898 393 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 393 A C 2.117 179.673 177.584 -0.046 0.000 1.181 393 A CA 1.510 53.514 52.037 -0.055 0.000 0.620 393 A CB -0.575 18.400 19.000 -0.041 0.000 0.819 393 A HN 0.811 nan 8.150 nan 0.000 0.442 394 R N 0.410 120.886 120.500 -0.040 0.000 2.066 394 R HA -0.092 4.247 4.340 -0.000 0.000 0.232 394 R C 1.382 177.671 176.300 -0.017 0.000 1.131 394 R CA 2.090 58.174 56.100 -0.027 0.000 0.955 394 R CB -0.614 29.671 30.300 -0.026 0.000 0.851 394 R HN 0.476 nan 8.270 nan 0.000 0.432 395 D N -0.625 119.763 120.400 -0.020 0.000 2.097 395 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 395 D C 1.936 178.252 176.300 0.026 0.000 0.984 395 D CA 1.452 55.453 54.000 0.002 0.000 0.826 395 D CB -0.327 40.471 40.800 -0.003 0.000 0.973 395 D HN 0.081 nan 8.370 nan 0.000 0.460 396 V N 1.385 121.296 119.914 -0.004 0.000 2.358 396 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 396 V C 2.483 178.560 176.094 -0.028 0.000 1.047 396 V CA 1.699 63.989 62.300 -0.018 0.000 1.035 396 V CB -0.784 30.943 31.823 -0.159 0.000 0.658 396 V HN 0.175 nan 8.190 nan 0.000 0.452 397 A N -0.085 122.706 122.820 -0.048 0.000 1.902 397 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 397 A C 2.158 179.767 177.584 0.040 0.000 1.181 397 A CA 2.091 54.112 52.037 -0.026 0.000 0.623 397 A CB -0.557 18.424 19.000 -0.031 0.000 0.818 397 A HN 0.446 nan 8.150 nan 0.000 0.443 398 L N -0.071 121.176 121.223 0.041 0.000 2.056 398 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 398 L C 2.237 179.152 176.870 0.076 0.000 1.078 398 L CA 2.676 57.544 54.840 0.046 0.000 0.749 398 L CB -0.618 41.457 42.059 0.026 0.000 0.901 398 L HN 0.600 nan 8.230 nan 0.000 0.433 399 E N -1.385 118.884 120.200 0.115 0.000 2.072 399 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 399 E C 2.113 178.803 176.600 0.151 0.000 0.982 399 E CA 1.015 57.489 56.400 0.123 0.000 0.803 399 E CB -0.221 29.566 29.700 0.145 0.000 0.755 399 E HN 0.453 nan 8.360 nan 0.000 0.453 400 F N 1.730 121.669 119.950 -0.018 0.000 2.171 400 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 400 F C 2.384 178.173 175.800 -0.017 0.000 1.090 400 F CA 1.215 59.204 58.000 -0.019 0.000 1.293 400 F CB -0.361 38.626 39.000 -0.022 0.000 1.013 400 F HN 0.001 nan 8.300 nan 0.000 0.486 401 K N 0.360 120.864 120.400 0.173 0.000 2.002 401 K HA -0.179 4.140 4.320 -0.000 0.000 0.209 401 K C 1.654 178.281 176.600 0.044 0.000 1.048 401 K CA 1.957 58.298 56.287 0.089 0.000 0.930 401 K CB -0.344 32.195 32.500 0.064 0.000 0.714 401 K HN 0.144 nan 8.250 nan 0.000 0.438 402 D N 0.315 120.733 120.400 0.031 0.000 2.149 402 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 402 D C 2.067 178.360 176.300 -0.012 0.000 0.972 402 D CA 0.994 54.999 54.000 0.008 0.000 0.835 402 D CB 0.009 40.812 40.800 0.005 0.000 0.966 402 D HN 0.282 nan 8.370 nan 0.000 0.476 403 Q N 1.008 120.791 119.800 -0.029 0.000 2.084 403 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 403 Q C 2.035 177.992 176.000 -0.072 0.000 0.978 403 Q CA 2.167 57.927 55.803 -0.072 0.000 0.844 403 Q CB -0.742 27.910 28.738 -0.144 0.000 0.898 403 Q HN 0.228 nan 8.270 nan 0.000 0.426 404 G N 0.128 108.894 108.800 -0.057 0.000 2.394 404 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.215 404 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.215 404 G C 1.434 176.321 174.900 -0.021 0.000 1.165 404 G CA 0.657 45.732 45.100 -0.041 0.000 0.784 404 G HN 0.408 nan 8.290 nan 0.000 0.535 405 I N 1.452 122.017 120.570 -0.009 0.000 2.454 405 I HA -0.092 4.077 4.170 -0.000 0.000 0.254 405 I C 1.974 178.084 176.117 -0.012 0.000 1.156 405 I CA 1.571 62.867 61.300 -0.005 0.000 1.433 405 I CB 0.030 38.030 38.000 0.001 0.000 1.082 405 I HN 0.307 nan 8.210 nan 0.000 0.432 406 T N -2.215 112.328 114.554 -0.019 0.000 3.415 406 T HA 0.246 4.596 4.350 -0.000 0.000 0.282 406 T C 0.328 175.012 174.700 -0.027 0.000 1.007 406 T CA -0.392 61.696 62.100 -0.020 0.000 0.958 406 T CB -0.001 68.857 68.868 -0.018 0.000 1.171 406 T HN -0.023 nan 8.240 nan 0.000 0.500 407 L N 2.911 124.115 121.223 -0.031 0.000 2.888 407 L HA 0.557 4.897 4.340 -0.000 0.000 0.237 407 L C 0.224 177.077 176.870 -0.029 0.000 1.288 407 L CA 0.066 54.883 54.840 -0.038 0.000 1.110 407 L CB -0.974 41.056 42.059 -0.049 0.000 1.441 407 L HN 0.774 nan 8.230 nan 0.000 0.474 408 M N -1.722 117.864 119.600 -0.023 0.000 4.045 408 M HA 0.034 4.514 4.480 -0.000 0.000 0.157 408 M C 0.300 176.591 176.300 -0.015 0.000 1.532 408 M CA 0.444 55.733 55.300 -0.018 0.000 1.096 408 M CB -1.730 30.860 32.600 -0.018 0.000 1.346 408 M HN 0.436 nan 8.290 nan 0.000 0.193 409 G N 4.205 112.998 108.800 -0.013 0.000 2.889 409 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.308 409 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.308 409 G C -0.050 174.843 174.900 -0.012 0.000 1.248 409 G CA 2.265 47.359 45.100 -0.010 0.000 0.982 409 G HN 2.896 nan 8.290 nan 0.000 0.571 410 R N -1.654 118.839 120.500 -0.012 0.000 4.813 410 R HA 0.450 4.790 4.340 -0.000 0.000 0.232 410 R C -1.148 175.146 176.300 -0.011 0.000 0.916 410 R CA -0.252 55.843 56.100 -0.009 0.000 1.022 410 R CB -0.200 30.095 30.300 -0.007 0.000 1.367 410 R HN 1.416 nan 8.270 nan 0.000 0.581 411 R N 0.516 121.012 120.500 -0.008 0.000 3.529 411 R HA 0.172 4.512 4.340 -0.000 0.000 0.278 411 R C -1.619 174.680 176.300 -0.002 0.000 0.963 411 R CA -0.644 55.452 56.100 -0.007 0.000 0.863 411 R CB 0.486 30.780 30.300 -0.010 0.000 1.335 411 R HN 0.816 nan 8.270 nan 0.000 0.543 412 E N 1.015 121.215 120.200 0.001 0.000 2.227 412 E HA 0.429 4.779 4.350 -0.000 0.000 0.268 412 E C -0.435 176.170 176.600 0.009 0.000 0.990 412 E CA -0.223 56.180 56.400 0.004 0.000 0.856 412 E CB 1.189 30.892 29.700 0.004 0.000 1.159 412 E HN 0.360 nan 8.360 nan 0.000 0.401 413 Q N 0.857 120.665 119.800 0.012 0.000 2.796 413 Q HA 0.443 4.783 4.340 -0.000 0.000 0.178 413 Q C -0.215 175.800 176.000 0.024 0.000 1.063 413 Q CA -0.746 55.068 55.803 0.019 0.000 0.848 413 Q CB 0.681 29.428 28.738 0.016 0.000 3.016 413 Q HN 0.738 nan 8.270 nan 0.000 0.413 414 N N -2.150 116.566 118.700 0.027 0.000 2.697 414 N HA 0.357 5.097 4.740 -0.000 0.000 0.272 414 N C -0.175 175.341 175.510 0.009 0.000 1.381 414 N CA -0.507 52.559 53.050 0.027 0.000 0.797 414 N CB 1.566 40.088 38.487 0.058 0.000 1.523 414 N HN 0.268 nan 8.380 nan 0.000 0.518 415 V N -4.001 115.910 119.914 -0.005 0.000 3.331 415 V HA 0.433 4.553 4.120 -0.000 0.000 0.332 415 V C 1.276 177.352 176.094 -0.030 0.000 1.341 415 V CA 0.409 62.700 62.300 -0.015 0.000 1.218 415 V CB -0.555 31.256 31.823 -0.020 0.000 1.152 415 V HN 0.762 nan 8.190 nan 0.000 0.445 416 A N -0.203 122.596 122.820 -0.034 0.000 2.275 416 A HA 0.266 4.586 4.320 -0.000 0.000 0.212 416 A C 1.998 179.555 177.584 -0.046 0.000 1.201 416 A CA 0.335 52.331 52.037 -0.068 0.000 0.843 416 A CB -0.067 18.869 19.000 -0.107 0.000 0.873 416 A HN 0.313 nan 8.150 nan 0.000 0.492 417 K N -0.199 120.188 120.400 -0.022 0.000 2.354 417 K HA 0.067 4.387 4.320 -0.000 0.000 0.194 417 K C 0.901 177.495 176.600 -0.011 0.000 1.045 417 K CA 0.632 56.911 56.287 -0.014 0.000 1.026 417 K CB 0.327 32.824 32.500 -0.005 0.000 0.866 417 K HN 0.325 nan 8.250 nan 0.000 0.530 418 E N 0.917 121.111 120.200 -0.010 0.000 2.112 418 E HA 0.015 4.365 4.350 -0.000 0.000 0.190 418 E C 1.854 178.452 176.600 -0.003 0.000 0.979 418 E CA 0.572 56.970 56.400 -0.003 0.000 0.814 418 E CB -0.049 29.651 29.700 0.000 0.000 0.762 418 E HN 0.167 nan 8.360 nan 0.000 0.460 419 L N 1.010 122.224 121.223 -0.014 0.000 2.093 419 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 419 L C 2.349 179.209 176.870 -0.017 0.000 1.085 419 L CA 1.020 55.851 54.840 -0.015 0.000 0.755 419 L CB -0.424 41.610 42.059 -0.041 0.000 0.904 419 L HN 0.260 nan 8.230 nan 0.000 0.435 420 N N 0.717 119.403 118.700 -0.023 0.000 2.166 420 N HA -0.258 4.482 4.740 -0.000 0.000 0.186 420 N C 1.919 177.422 175.510 -0.011 0.000 1.019 420 N CA 1.362 54.399 53.050 -0.022 0.000 0.856 420 N CB 0.179 38.652 38.487 -0.022 0.000 0.993 420 N HN 0.259 nan 8.380 nan 0.000 0.426 421 K N 0.366 120.763 120.400 -0.005 0.000 2.031 421 K HA -0.015 4.305 4.320 -0.000 0.000 0.205 421 K C 1.793 178.395 176.600 0.003 0.000 1.049 421 K CA 1.002 57.289 56.287 -0.001 0.000 0.939 421 K CB 0.114 32.615 32.500 0.002 0.000 0.717 421 K HN -0.024 nan 8.250 nan 0.000 0.438 422 V N 0.918 120.835 119.914 0.006 0.000 3.052 422 V HA -0.046 4.074 4.120 -0.000 0.000 0.254 422 V C 2.046 178.148 176.094 0.012 0.000 1.100 422 V CA 0.832 63.138 62.300 0.011 0.000 1.112 422 V CB -0.204 31.628 31.823 0.015 0.000 0.738 422 V HN 0.290 nan 8.190 nan 0.000 0.469 423 I N 0.651 121.227 120.570 0.010 0.000 2.252 423 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 423 I C -0.226 175.899 176.117 0.013 0.000 1.102 423 I CA 1.606 62.913 61.300 0.013 0.000 1.385 423 I CB -1.199 36.804 38.000 0.007 0.000 1.064 423 I HN 0.353 nan 8.210 nan 0.000 0.414 424 P HA -0.149 nan 4.420 nan 0.000 0.220 424 P C 1.884 179.192 177.300 0.013 0.000 1.148 424 P CA 1.290 64.396 63.100 0.011 0.000 0.803 424 P CB -0.176 31.527 31.700 0.005 0.000 0.782 425 I N -3.119 117.458 120.570 0.011 0.000 2.439 425 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 425 I C 1.782 177.907 176.117 0.013 0.000 1.139 425 I CA 1.585 62.892 61.300 0.012 0.000 1.438 425 I CB -0.552 37.455 38.000 0.011 0.000 1.085 425 I HN -0.189 nan 8.210 nan 0.000 0.427 426 A N 0.967 123.796 122.820 0.015 0.000 2.021 426 A HA 0.372 4.692 4.320 -0.000 0.000 0.216 426 A C 2.412 180.006 177.584 0.016 0.000 1.163 426 A CA 1.056 53.103 52.037 0.015 0.000 0.676 426 A CB -0.504 18.508 19.000 0.019 0.000 0.818 426 A HN 0.576 nan 8.150 nan 0.000 0.453 427 A N -0.632 122.200 122.820 0.021 0.000 1.871 427 A HA 0.210 4.530 4.320 -0.000 0.000 0.211 427 A C 2.095 179.693 177.584 0.023 0.000 1.207 427 A CA 1.359 53.412 52.037 0.027 0.000 0.620 427 A CB -0.680 18.346 19.000 0.044 0.000 0.860 427 A HN 0.285 nan 8.150 nan 0.000 0.450 428 V N 0.087 120.016 119.914 0.025 0.000 2.379 428 V HA -0.148 3.971 4.120 -0.000 0.000 0.245 428 V C 2.514 178.618 176.094 0.018 0.000 1.044 428 V CA 2.333 64.649 62.300 0.026 0.000 1.036 428 V CB -1.093 30.745 31.823 0.024 0.000 0.664 428 V HN 0.569 nan 8.190 nan 0.000 0.453 429 T N 0.106 114.667 114.554 0.013 0.000 3.067 429 T HA 0.047 4.396 4.350 -0.000 0.000 0.261 429 T C 1.799 176.501 174.700 0.004 0.000 1.110 429 T CA 1.010 63.115 62.100 0.008 0.000 1.113 429 T CB -0.071 68.802 68.868 0.008 0.000 0.917 429 T HN 0.578 nan 8.240 nan 0.000 0.499 430 G N 0.893 109.694 108.800 0.002 0.000 2.494 430 G HA2 0.191 4.151 3.960 -0.000 0.000 0.216 430 G HA3 0.191 4.151 3.960 -0.000 0.000 0.216 430 G C 1.673 176.563 174.900 -0.017 0.000 1.140 430 G CA 0.576 45.672 45.100 -0.006 0.000 0.801 430 G HN 0.532 nan 8.290 nan 0.000 0.536 431 A N 0.504 123.314 122.820 -0.016 0.000 1.929 431 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 431 A C 2.544 180.123 177.584 -0.008 0.000 1.176 431 A CA 2.006 54.029 52.037 -0.023 0.000 0.628 431 A CB -0.568 18.426 19.000 -0.010 0.000 0.816 431 A HN 0.332 nan 8.150 nan 0.000 0.444 432 S N -0.731 114.969 115.700 0.000 0.000 2.371 432 S HA -0.086 4.384 4.470 -0.000 0.000 0.224 432 S C 1.816 176.409 174.600 -0.012 0.000 1.029 432 S CA 1.494 59.692 58.200 -0.003 0.000 0.978 432 S CB -0.263 62.937 63.200 -0.001 0.000 0.833 432 S HN 0.261 nan 8.310 nan 0.000 0.466 433 V N 1.958 121.867 119.914 -0.009 0.000 2.719 433 V HA -0.006 4.113 4.120 -0.000 0.000 0.252 433 V C 2.231 178.316 176.094 -0.014 0.000 1.065 433 V CA 1.175 63.470 62.300 -0.008 0.000 1.086 433 V CB -0.389 31.433 31.823 -0.002 0.000 0.700 433 V HN 0.449 nan 8.190 nan 0.000 0.467 434 L N 0.213 121.423 121.223 -0.020 0.000 2.056 434 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 434 L C 2.443 179.295 176.870 -0.031 0.000 1.078 434 L CA 2.076 56.899 54.840 -0.028 0.000 0.749 434 L CB -0.773 41.262 42.059 -0.040 0.000 0.901 434 L HN 0.261 nan 8.230 nan 0.000 0.433 435 S N -0.412 115.271 115.700 -0.028 0.000 2.383 435 S HA -0.134 4.336 4.470 -0.000 0.000 0.227 435 S C 1.806 176.366 174.600 -0.066 0.000 1.026 435 S CA 1.369 59.547 58.200 -0.038 0.000 0.981 435 S CB -0.503 62.681 63.200 -0.026 0.000 0.818 435 S HN 0.438 nan 8.310 nan 0.000 0.472 436 L N 1.478 122.671 121.223 -0.050 0.000 2.093 436 L HA 0.159 4.499 4.340 -0.000 0.000 0.208 436 L C 1.595 178.454 176.870 -0.019 0.000 1.085 436 L CA 1.643 56.456 54.840 -0.044 0.000 0.755 436 L CB -0.345 41.704 42.059 -0.017 0.000 0.904 436 L HN 0.285 nan 8.230 nan 0.000 0.435 437 I N -1.900 118.664 120.570 -0.010 0.000 3.860 437 I HA -0.057 4.113 4.170 -0.000 0.000 0.319 437 I C 1.725 177.842 176.117 0.000 0.000 1.279 437 I CA 0.209 61.514 61.300 0.008 0.000 1.220 437 I CB -0.253 37.752 38.000 0.008 0.000 1.027 437 I HN 0.123 nan 8.210 nan 0.000 0.428 438 T N 0.448 114.987 114.554 -0.025 0.000 2.812 438 T HA -0.131 4.219 4.350 -0.000 0.000 0.264 438 T C 1.985 176.678 174.700 -0.011 0.000 1.042 438 T CA 1.306 63.383 62.100 -0.038 0.000 1.140 438 T CB -0.054 68.775 68.868 -0.065 0.000 0.870 438 T HN 0.229 nan 8.240 nan 0.000 0.445 439 V N 1.174 121.067 119.914 -0.035 0.000 2.667 439 V HA -0.006 4.114 4.120 -0.000 0.000 0.252 439 V C 2.062 178.230 176.094 0.122 0.000 1.065 439 V CA 1.239 63.532 62.300 -0.012 0.000 1.083 439 V CB -0.512 31.134 31.823 -0.294 0.000 0.692 439 V HN 0.505 nan 8.190 nan 0.000 0.468 440 I N 0.744 121.387 120.570 0.120 0.000 2.315 440 I HA -0.070 4.100 4.170 -0.000 0.000 0.248 440 I C 2.553 178.747 176.117 0.129 0.000 1.117 440 I CA 1.457 62.855 61.300 0.164 0.000 1.404 440 I CB -0.888 37.181 38.000 0.115 0.000 1.071 440 I HN 0.430 nan 8.210 nan 0.000 0.419 441 G N 0.236 109.086 108.800 0.084 0.000 2.422 441 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 441 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 441 G C 1.531 176.485 174.900 0.090 0.000 1.140 441 G CA 0.319 45.459 45.100 0.066 0.000 0.775 441 G HN 0.375 nan 8.290 nan 0.000 0.545 442 E N 0.963 121.236 120.200 0.122 0.000 2.107 442 E HA -0.114 4.235 4.350 -0.000 0.000 0.191 442 E C 2.911 179.631 176.600 0.199 0.000 0.982 442 E CA 1.305 57.803 56.400 0.164 0.000 0.809 442 E CB -0.149 29.679 29.700 0.213 0.000 0.756 442 E HN 0.583 nan 8.360 nan 0.000 0.459 443 S N 0.988 116.838 115.700 0.250 0.000 2.453 443 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 443 S C 2.131 176.830 174.600 0.165 0.000 1.005 443 S CA 0.357 58.728 58.200 0.286 0.000 0.949 443 S CB -0.406 63.048 63.200 0.424 0.000 0.774 443 S HN 0.126 nan 8.310 nan 0.000 0.510 444 L N 1.205 122.505 121.223 0.127 0.000 2.046 444 L HA 0.214 4.554 4.340 -0.000 0.000 0.208 444 L C 1.598 178.519 176.870 0.085 0.000 1.077 444 L CA 1.014 55.905 54.840 0.085 0.000 0.747 444 L CB -0.884 41.216 42.059 0.068 0.000 0.896 444 L HN 0.698 nan 8.230 nan 0.000 0.432 445 G N -1.889 106.974 108.800 0.104 0.000 2.359 445 G HA2 0.336 4.296 3.960 -0.000 0.000 0.293 445 G HA3 0.336 4.296 3.960 -0.000 0.000 0.293 445 G C -1.570 173.400 174.900 0.117 0.000 1.300 445 G CA -0.435 44.732 45.100 0.111 0.000 0.888 445 G HN -0.016 nan 8.290 nan 0.000 0.541 446 L N -1.467 119.835 121.223 0.131 0.000 0.585 446 L HA 0.141 4.481 4.340 -0.000 0.000 0.356 446 L C -0.195 176.774 176.870 0.164 0.000 1.004 446 L CA 1.517 56.438 54.840 0.135 0.000 1.223 446 L CB -0.109 42.002 42.059 0.088 0.000 0.012 446 L HN 1.424 nan 8.230 nan 0.000 0.091 447 K N 1.306 121.810 120.400 0.174 0.000 2.571 447 K HA 0.701 5.021 4.320 -0.000 0.000 0.289 447 K C 0.442 177.146 176.600 0.174 0.000 1.028 447 K CA -0.274 56.141 56.287 0.214 0.000 0.895 447 K CB 1.831 34.512 32.500 0.302 0.000 1.534 447 K HN 1.699 nan 8.250 nan 0.000 0.421 448 G N 1.009 109.942 108.800 0.221 0.000 2.176 448 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.232 448 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.232 448 G C -0.021 174.945 174.900 0.111 0.000 0.986 448 G CA 0.792 45.996 45.100 0.173 0.000 0.643 448 G HN 0.633 nan 8.290 nan 0.000 0.522 449 K N -2.637 117.856 120.400 0.154 0.000 2.055 449 K HA 0.467 4.787 4.320 -0.000 0.000 0.128 449 K C 1.514 178.182 176.600 0.113 0.000 1.918 449 K CA 0.774 57.145 56.287 0.140 0.000 0.985 449 K CB -0.828 31.722 32.500 0.083 0.000 1.971 449 K HN 1.069 nan 8.250 nan 0.000 0.385 450 A N 1.472 124.368 122.820 0.127 0.000 2.015 450 A HA 0.220 4.540 4.320 -0.000 0.000 0.219 450 A C 2.230 179.795 177.584 -0.031 0.000 1.163 450 A CA 1.651 53.729 52.037 0.068 0.000 0.646 450 A CB -0.305 18.761 19.000 0.111 0.000 0.806 450 A HN 0.537 nan 8.150 nan 0.000 0.448 451 A N -1.299 121.398 122.820 -0.206 0.000 2.220 451 A HA 0.427 4.747 4.320 -0.000 0.000 0.211 451 A C 2.004 179.373 177.584 -0.358 0.000 1.176 451 A CA 1.030 52.796 52.037 -0.452 0.000 0.834 451 A CB -0.465 17.825 19.000 -1.182 0.000 0.868 451 A HN 0.582 nan 8.150 nan 0.000 0.488 452 G N -0.353 108.367 108.800 -0.134 0.000 2.603 452 G HA2 0.038 3.998 3.960 -0.000 0.000 0.214 452 G HA3 0.038 3.998 3.960 -0.000 0.000 0.214 452 G C 1.379 176.296 174.900 0.028 0.000 1.140 452 G CA 0.798 45.926 45.100 0.048 0.000 0.800 452 G HN 0.442 nan 8.290 nan 0.000 0.533 453 I N 1.336 121.913 120.570 0.010 0.000 2.333 453 I HA -0.081 4.089 4.170 -0.000 0.000 0.246 453 I C 2.770 178.884 176.117 -0.004 0.000 1.106 453 I CA 1.023 62.330 61.300 0.011 0.000 1.411 453 I CB 0.163 38.174 38.000 0.018 0.000 1.082 453 I HN 0.082 nan 8.210 nan 0.000 0.420 454 V N -1.467 118.433 119.914 -0.023 0.000 2.427 454 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 454 V C 2.288 178.365 176.094 -0.028 0.000 1.051 454 V CA 1.846 64.129 62.300 -0.028 0.000 1.048 454 V CB -1.120 30.681 31.823 -0.036 0.000 0.666 454 V HN 0.349 nan 8.190 nan 0.000 0.456 455 V N 1.622 121.516 119.914 -0.033 0.000 2.719 455 V HA 0.131 4.251 4.120 -0.000 0.000 0.252 455 V C 2.475 178.567 176.094 -0.002 0.000 1.065 455 V CA 1.954 64.238 62.300 -0.027 0.000 1.086 455 V CB -0.422 31.379 31.823 -0.037 0.000 0.700 455 V HN 0.618 nan 8.190 nan 0.000 0.467 456 G N 0.641 109.447 108.800 0.009 0.000 2.403 456 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 456 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 456 G C 1.438 176.353 174.900 0.026 0.000 1.154 456 G CA 1.177 46.290 45.100 0.022 0.000 0.784 456 G HN 0.702 nan 8.290 nan 0.000 0.538 457 I N -1.718 118.862 120.570 0.017 0.000 2.852 457 I HA 0.347 4.517 4.170 -0.000 0.000 0.264 457 I C 2.722 178.858 176.117 0.030 0.000 1.179 457 I CA 0.924 62.236 61.300 0.019 0.000 1.480 457 I CB -0.161 37.839 38.000 -0.001 0.000 1.111 457 I HN 0.083 nan 8.210 nan 0.000 0.441 458 A N 2.060 124.891 122.820 0.018 0.000 1.902 458 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 458 A C 2.319 179.947 177.584 0.073 0.000 1.181 458 A CA 1.690 53.740 52.037 0.022 0.000 0.623 458 A CB -1.461 17.536 19.000 -0.006 0.000 0.818 458 A HN 0.536 nan 8.150 nan 0.000 0.443 459 G N -1.387 107.469 108.800 0.093 0.000 2.813 459 G HA2 0.259 4.219 3.960 -0.000 0.000 0.209 459 G HA3 0.259 4.219 3.960 -0.000 0.000 0.209 459 G C 1.192 176.176 174.900 0.140 0.000 1.150 459 G CA 0.995 46.218 45.100 0.204 0.000 0.785 459 G HN 0.649 nan 8.290 nan 0.000 0.535 460 G N 0.202 109.051 108.800 0.083 0.000 2.492 460 G HA2 0.007 3.967 3.960 -0.000 0.000 0.214 460 G HA3 0.007 3.967 3.960 -0.000 0.000 0.214 460 G C 1.302 176.228 174.900 0.044 0.000 1.147 460 G CA 0.386 45.510 45.100 0.040 0.000 0.809 460 G HN 0.370 nan 8.290 nan 0.000 0.533 461 F N 1.032 120.937 119.950 -0.074 0.000 2.714 461 F HA 0.318 4.845 4.527 -0.000 0.000 0.294 461 F C 2.317 178.053 175.800 -0.106 0.000 1.120 461 F CA 0.675 58.624 58.000 -0.087 0.000 1.398 461 F CB 0.629 39.583 39.000 -0.077 0.000 1.120 461 F HN 0.072 nan 8.300 nan 0.000 0.589 462 S N 0.639 116.355 115.700 0.025 0.000 2.446 462 S HA 0.010 4.480 4.470 -0.000 0.000 0.225 462 S C 1.947 176.395 174.600 -0.253 0.000 1.016 462 S CA 0.544 58.702 58.200 -0.070 0.000 0.943 462 S CB -0.194 63.052 63.200 0.078 0.000 0.786 462 S HN 0.479 nan 8.310 nan 0.000 0.508 463 L N 1.047 122.044 121.223 -0.378 0.000 2.109 463 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 463 L C 2.136 178.769 176.870 -0.394 0.000 1.086 463 L CA 0.922 55.411 54.840 -0.585 0.000 0.760 463 L CB -0.166 41.540 42.059 -0.588 0.000 0.910 463 L HN 0.274 nan 8.230 nan 0.000 0.437 464 L N -0.052 120.977 121.223 -0.324 0.000 2.083 464 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 464 L C 2.340 178.969 176.870 -0.401 0.000 1.083 464 L CA 1.789 56.433 54.840 -0.328 0.000 0.752 464 L CB -0.542 41.336 42.059 -0.300 0.000 0.899 464 L HN 0.299 nan 8.230 nan 0.000 0.433 465 E N -1.157 118.757 120.200 -0.477 0.000 2.152 465 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 465 E C 2.114 178.536 176.600 -0.298 0.000 0.983 465 E CA 1.182 57.326 56.400 -0.427 0.000 0.818 465 E CB 0.108 29.551 29.700 -0.429 0.000 0.758 465 E HN 0.419 nan 8.360 nan 0.000 0.467 466 V N 1.390 121.137 119.914 -0.278 0.000 2.295 466 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 466 V C 2.351 178.295 176.094 -0.251 0.000 1.049 466 V CA 1.525 63.696 62.300 -0.215 0.000 1.024 466 V CB -0.303 31.395 31.823 -0.208 0.000 0.648 466 V HN 0.349 nan 8.190 nan 0.000 0.447 467 I N 0.612 120.971 120.570 -0.352 0.000 2.439 467 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 467 I C 2.624 178.337 176.117 -0.673 0.000 1.139 467 I CA 1.782 62.755 61.300 -0.546 0.000 1.438 467 I CB -0.115 37.522 38.000 -0.605 0.000 1.085 467 I HN 0.577 nan 8.210 nan 0.000 0.427 468 T N -1.032 113.309 114.554 -0.354 0.000 2.821 468 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 468 T C 1.853 176.521 174.700 -0.052 0.000 1.046 468 T CA 1.068 63.098 62.100 -0.116 0.000 1.139 468 T CB -0.599 68.218 68.868 -0.084 0.000 0.871 468 T HN 0.306 nan 8.240 nan 0.000 0.454 469 I N 1.137 121.649 120.570 -0.097 0.000 2.252 469 I HA -0.093 4.077 4.170 -0.000 0.000 0.245 469 I C 2.827 178.951 176.117 0.011 0.000 1.102 469 I CA 1.200 62.487 61.300 -0.021 0.000 1.385 469 I CB -0.282 37.714 38.000 -0.007 0.000 1.064 469 I HN 0.191 nan 8.210 nan 0.000 0.414 470 E N 0.167 120.337 120.200 -0.051 0.000 2.152 470 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 470 E C 2.067 178.720 176.600 0.088 0.000 0.983 470 E CA 1.173 57.566 56.400 -0.012 0.000 0.818 470 E CB -0.250 29.405 29.700 -0.074 0.000 0.758 470 E HN 0.482 nan 8.360 nan 0.000 0.467 471 Y N 1.906 122.205 120.300 -0.002 0.000 2.163 471 Y HA -0.157 4.392 4.550 -0.000 0.000 0.288 471 Y C 2.593 178.491 175.900 -0.003 0.000 1.136 471 Y CA 1.435 59.532 58.100 -0.005 0.000 1.147 471 Y CB -0.679 37.767 38.460 -0.024 0.000 0.987 471 Y HN 0.219 nan 8.280 nan 0.000 0.509 472 Q N -0.698 119.203 119.800 0.168 0.000 2.165 472 Q HA -0.095 4.245 4.340 -0.000 0.000 0.197 472 Q C 1.827 177.870 176.000 0.072 0.000 0.952 472 Q CA 1.109 56.968 55.803 0.093 0.000 0.848 472 Q CB -0.449 28.329 28.738 0.068 0.000 0.931 472 Q HN 0.458 nan 8.270 nan 0.000 0.470 473 Q N 0.759 120.603 119.800 0.074 0.000 2.089 473 Q HA 0.047 4.387 4.340 -0.000 0.000 0.195 473 Q C 2.239 178.275 176.000 0.060 0.000 0.963 473 Q CA 1.427 57.269 55.803 0.065 0.000 0.834 473 Q CB 0.311 29.095 28.738 0.076 0.000 0.906 473 Q HN 0.320 nan 8.270 nan 0.000 0.452 474 S N -0.379 115.362 115.700 0.068 0.000 2.395 474 S HA 0.159 4.629 4.470 -0.000 0.000 0.225 474 S C 0.823 175.462 174.600 0.065 0.000 1.027 474 S CA 0.636 58.873 58.200 0.062 0.000 0.965 474 S CB 0.286 63.524 63.200 0.063 0.000 0.812 474 S HN 0.596 nan 8.310 nan 0.000 0.482 475 G N -0.280 108.569 108.800 0.082 0.000 2.342 475 G HA2 0.428 4.387 3.960 -0.000 0.000 0.220 475 G HA3 0.428 4.387 3.960 -0.000 0.000 0.220 475 G C 0.161 175.114 174.900 0.088 0.000 1.243 475 G CA -0.542 44.599 45.100 0.068 0.000 1.083 475 G HN 1.309 nan 8.290 nan 0.000 0.500 476 G N -0.733 108.100 108.800 0.055 0.000 2.498 476 G HA2 0.126 4.086 3.960 -0.000 0.000 0.251 476 G HA3 0.126 4.086 3.960 -0.000 0.000 0.251 476 G C 0.472 175.366 174.900 -0.010 0.000 1.170 476 G CA 1.192 46.320 45.100 0.046 0.000 0.944 476 G HN 1.865 nan 8.290 nan 0.000 0.567 477 Q N 0.521 120.287 119.800 -0.056 0.000 2.300 477 Q HA 0.505 4.845 4.340 -0.000 0.000 0.280 477 Q C -0.171 175.630 176.000 -0.331 0.000 1.033 477 Q CA 0.766 56.430 55.803 -0.233 0.000 0.903 477 Q CB 0.151 28.683 28.738 -0.344 0.000 1.195 477 Q HN 0.655 nan 8.270 nan 0.000 0.386 478 S N 1.725 117.240 115.700 -0.309 0.000 2.627 478 S HA 0.720 5.190 4.470 -0.000 0.000 0.283 478 S C -0.693 173.815 174.600 -0.154 0.000 1.127 478 S CA -0.234 57.874 58.200 -0.152 0.000 0.863 478 S CB 1.964 65.133 63.200 -0.052 0.000 1.121 478 S HN 0.730 nan 8.310 nan 0.000 0.479 479 A N 0.856 123.669 122.820 -0.012 0.000 2.545 479 A HA 0.277 4.597 4.320 -0.000 0.000 0.263 479 A C 1.090 178.679 177.584 0.009 0.000 1.202 479 A CA -0.213 51.830 52.037 0.010 0.000 0.959 479 A CB -0.168 18.890 19.000 0.097 0.000 1.124 479 A HN 0.651 nan 8.150 nan 0.000 0.543 480 L N -0.624 120.601 121.223 0.004 0.000 2.558 480 L HA 0.052 4.392 4.340 -0.000 0.000 0.225 480 L C 1.434 178.301 176.870 -0.005 0.000 1.128 480 L CA 1.544 56.388 54.840 0.006 0.000 0.868 480 L CB -1.737 40.330 42.059 0.013 0.000 1.006 480 L HN 0.463 nan 8.230 nan 0.000 0.454 481 N N 1.081 119.770 118.700 -0.019 0.000 2.223 481 N HA -0.263 4.477 4.740 -0.000 0.000 0.185 481 N C 1.477 176.978 175.510 -0.016 0.000 1.016 481 N CA 1.373 54.409 53.050 -0.024 0.000 0.863 481 N CB -0.357 38.106 38.487 -0.040 0.000 0.983 481 N HN 0.608 nan 8.380 nan 0.000 0.429 482 Q N 0.072 119.865 119.800 -0.012 0.000 1.993 482 Q HA 0.056 4.396 4.340 -0.000 0.000 0.202 482 Q C 0.089 176.088 176.000 -0.001 0.000 0.984 482 Q CA 1.135 56.934 55.803 -0.006 0.000 0.837 482 Q CB 0.273 29.010 28.738 -0.002 0.000 0.902 482 Q HN 0.171 nan 8.270 nan 0.000 0.423 483 V N -0.003 119.913 119.914 0.002 0.000 2.817 483 V HA 0.398 4.518 4.120 -0.000 0.000 0.303 483 V C -0.813 175.286 176.094 0.007 0.000 1.151 483 V CA -0.430 61.873 62.300 0.005 0.000 0.929 483 V CB 1.978 33.806 31.823 0.008 0.000 1.030 483 V HN 0.277 nan 8.190 nan 0.000 0.427 484 L N 2.890 124.117 121.223 0.007 0.000 2.297 484 L HA 0.836 5.176 4.340 -0.000 0.000 0.302 484 L C 1.076 177.951 176.870 0.007 0.000 0.617 484 L CA 1.250 56.095 54.840 0.010 0.000 1.179 484 L CB 0.297 42.363 42.059 0.012 0.000 1.686 484 L HN 1.131 nan 8.230 nan 0.000 0.335 485 G N -0.397 108.407 108.800 0.007 0.000 2.475 485 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.209 485 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.209 485 G C -0.214 174.689 174.900 0.006 0.000 1.127 485 G CA 0.478 45.581 45.100 0.005 0.000 0.681 485 G HN 1.457 nan 8.290 nan 0.000 0.517 486 V N 4.284 124.202 119.914 0.007 0.000 2.443 486 V HA 0.689 4.808 4.120 -0.000 0.000 0.272 486 V C -1.739 174.360 176.094 0.009 0.000 1.002 486 V CA -0.523 61.782 62.300 0.007 0.000 0.840 486 V CB 1.214 33.040 31.823 0.006 0.000 1.042 486 V HN 0.615 nan 8.190 nan 0.000 0.446 487 P HA 0.849 nan 4.420 nan 0.000 0.314 487 P C -0.284 177.021 177.300 0.009 0.000 1.306 487 P CA -0.466 62.641 63.100 0.011 0.000 0.782 487 P CB 1.898 33.606 31.700 0.014 0.000 1.337 488 G N -1.896 106.910 108.800 0.010 0.000 2.642 488 G HA2 0.628 4.588 3.960 -0.000 0.000 0.293 488 G HA3 0.628 4.588 3.960 -0.000 0.000 0.293 488 G C -1.782 173.123 174.900 0.008 0.000 1.341 488 G CA -0.631 44.474 45.100 0.008 0.000 0.916 488 G HN 0.632 nan 8.290 nan 0.000 0.474 489 A N 1.016 123.840 122.820 0.006 0.000 2.342 489 A HA 0.711 5.031 4.320 -0.000 0.000 0.323 489 A C 0.255 177.842 177.584 0.005 0.000 1.125 489 A CA -0.595 51.446 52.037 0.006 0.000 0.785 489 A CB 1.196 20.199 19.000 0.005 0.000 1.221 489 A HN 1.264 nan 8.150 nan 0.000 0.463 490 M N 0.000 119.603 119.600 0.005 0.000 2.572 490 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 490 M CA 0.000 55.303 55.300 0.005 0.000 0.988 490 M CB 0.000 32.603 32.600 0.005 0.000 1.302 490 M HN 0.000 nan 8.290 nan 0.000 0.411