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 3dm0_1_A DATA FIRST_RESID 1 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PAAAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSAV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDAA LAAAQTNAAA XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXGLVLKGT MRAHTDMVTA IATPIDNADI IVSASRDKSI ILWKLTKDDK DATA SEQUENCE AYGVAQRRLT GHSHFVEDVV LSSDGQFALS GSWDGELRLW DLAAGVSTRR DATA SEQUENCE FVGHTKDVLS VAFSLDNRQI VSASRDRTIK LWNTLGECKY TISEGGEGHR DATA SEQUENCE DWVSCVRFSP NTLQPTIVSA SWDKTVKVWN LSNCKLRSTL AGHTGYVSTV DATA SEQUENCE AVSPDGSLCA SGGKDGVVLL WDLAEGKKLY SLEANSVIHA LCFSPNRYWL DATA SEQUENCE CAATEHGIKI WDLESKSIVE DLKVDLKXXX XXXXXXXXXX XXXKVIYCTS DATA SEQUENCE LNWSADGSTL FSGYTDGVIR VWGI 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 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.576 176.600 -0.040 0.000 0.988 1 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 1 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 2 I N -0.303 120.245 120.570 -0.037 0.000 2.339 2 I HA 0.317 4.488 4.170 0.001 0.000 0.245 2 I C 0.830 176.923 176.117 -0.040 0.000 1.096 2 I CA 2.546 63.821 61.300 -0.042 0.000 1.408 2 I CB -1.119 36.861 38.000 -0.033 0.000 1.092 2 I HN 0.936 nan 8.210 nan 0.000 0.423 3 E N 0.492 120.675 120.200 -0.028 0.000 2.310 3 E HA -0.192 4.158 4.350 0.001 0.000 0.260 3 E C 0.033 176.621 176.600 -0.020 0.000 1.101 3 E CA 0.713 57.099 56.400 -0.024 0.000 0.751 3 E CB -1.747 27.936 29.700 -0.029 0.000 1.285 3 E HN 0.954 nan 8.360 nan 0.000 0.400 4 E N 0.257 120.448 120.200 -0.015 0.000 2.166 4 E HA 0.288 4.638 4.350 0.001 0.000 0.279 4 E C 1.154 177.751 176.600 -0.006 0.000 1.095 4 E CA 0.928 57.322 56.400 -0.009 0.000 0.888 4 E CB 0.341 30.036 29.700 -0.008 0.000 1.041 4 E HN 0.496 nan 8.360 nan 0.000 0.414 5 G N 2.057 110.857 108.800 -0.001 0.000 2.421 5 G HA2 -0.112 3.848 3.960 0.001 0.000 0.188 5 G HA3 -0.112 3.848 3.960 0.001 0.000 0.188 5 G C 0.136 175.039 174.900 0.004 0.000 1.001 5 G CA 0.024 45.124 45.100 0.001 0.000 0.693 5 G HN 0.832 nan 8.290 nan 0.000 0.479 6 K N -0.259 120.141 120.400 -0.000 0.000 2.372 6 K HA 0.967 5.287 4.320 0.001 0.000 0.251 6 K C -1.142 175.447 176.600 -0.019 0.000 1.055 6 K CA -0.409 55.877 56.287 -0.002 0.000 0.879 6 K CB 1.204 33.699 32.500 -0.008 0.000 1.384 6 K HN 0.643 nan 8.250 nan 0.000 0.465 7 L N 1.724 122.920 121.223 -0.044 0.000 2.377 7 L HA 0.444 4.785 4.340 0.001 0.000 0.270 7 L C -1.044 175.765 176.870 -0.102 0.000 0.991 7 L CA -1.286 53.491 54.840 -0.104 0.000 0.851 7 L CB 1.922 43.850 42.059 -0.217 0.000 1.218 7 L HN 0.452 nan 8.230 nan 0.000 0.420 8 V N 5.239 125.106 119.914 -0.079 0.000 2.383 8 V HA 0.422 4.543 4.120 0.001 0.000 0.275 8 V C 0.275 176.337 176.094 -0.053 0.000 1.036 8 V CA -0.146 62.131 62.300 -0.039 0.000 0.889 8 V CB 1.547 33.349 31.823 -0.035 0.000 0.985 8 V HN 0.488 nan 8.190 nan 0.000 0.459 9 I N 3.940 124.545 120.570 0.057 0.000 2.530 9 I HA 0.496 4.666 4.170 0.001 0.000 0.297 9 I C -1.076 175.306 176.117 0.441 0.000 1.011 9 I CA -0.530 60.866 61.300 0.160 0.000 1.107 9 I CB 2.274 40.355 38.000 0.135 0.000 1.285 9 I HN 0.493 nan 8.210 nan 0.000 0.436 10 W N 6.708 128.107 121.300 0.166 0.000 2.600 10 W HA 0.695 5.356 4.660 0.001 0.000 0.325 10 W C -0.581 176.080 176.519 0.236 0.000 1.034 10 W CA -0.953 56.477 57.345 0.142 0.000 1.226 10 W CB 1.446 30.976 29.460 0.117 0.000 1.379 10 W HN 0.202 nan 8.180 nan 0.000 0.466 11 I N 2.875 123.638 120.570 0.321 0.000 2.894 11 I HA 0.369 4.540 4.170 0.001 0.000 0.302 11 I C -0.360 175.854 176.117 0.162 0.000 1.188 11 I CA -0.863 60.568 61.300 0.219 0.000 1.014 11 I CB 1.865 39.812 38.000 -0.088 0.000 1.242 11 I HN 0.265 nan 8.210 nan 0.000 0.430 12 N N 3.098 121.871 118.700 0.122 0.000 2.479 12 N HA 0.206 4.947 4.740 0.001 0.000 0.257 12 N C 1.073 176.556 175.510 -0.044 0.000 1.232 12 N CA 1.143 54.213 53.050 0.034 0.000 0.920 12 N CB 1.532 39.909 38.487 -0.183 0.000 1.105 12 N HN 0.748 nan 8.380 nan 0.000 0.444 13 G N 1.173 109.919 108.800 -0.090 0.000 2.479 13 G HA2 -0.272 3.688 3.960 0.001 0.000 0.220 13 G HA3 -0.272 3.688 3.960 0.001 0.000 0.220 13 G C 0.699 175.545 174.900 -0.091 0.000 1.115 13 G CA 1.172 46.174 45.100 -0.163 0.000 0.757 13 G HN 0.845 nan 8.290 nan 0.000 0.560 14 D N -0.661 119.608 120.400 -0.219 0.000 2.340 14 D HA 0.162 4.802 4.640 0.001 0.000 0.220 14 D C 0.883 177.060 176.300 -0.205 0.000 1.039 14 D CA 0.175 54.015 54.000 -0.267 0.000 0.866 14 D CB 0.241 40.703 40.800 -0.564 0.000 0.913 14 D HN 0.056 nan 8.370 nan 0.000 0.523 15 K N -0.237 120.072 120.400 -0.151 0.000 2.139 15 K HA 0.621 4.941 4.320 0.001 0.000 0.243 15 K C 0.713 177.248 176.600 -0.109 0.000 0.983 15 K CA -0.607 55.615 56.287 -0.108 0.000 0.890 15 K CB 1.449 33.872 32.500 -0.129 0.000 1.090 15 K HN -0.014 nan 8.250 nan 0.000 0.445 16 G N 2.126 110.854 108.800 -0.120 0.000 3.003 16 G HA2 -0.002 3.958 3.960 0.001 0.000 0.266 16 G HA3 -0.002 3.958 3.960 0.001 0.000 0.266 16 G C 0.382 175.163 174.900 -0.197 0.000 0.755 16 G CA 0.021 44.997 45.100 -0.206 0.000 2.061 16 G HN 0.722 nan 8.290 nan 0.000 0.599 17 Y N -0.597 119.656 120.300 -0.077 0.000 2.497 17 Y HA -0.044 4.507 4.550 0.001 0.000 0.292 17 Y C 2.018 177.915 175.900 -0.004 0.000 1.137 17 Y CA 0.372 58.440 58.100 -0.053 0.000 1.285 17 Y CB -0.428 38.031 38.460 -0.002 0.000 0.991 17 Y HN 0.268 nan 8.280 nan 0.000 0.556 18 N N 1.276 119.840 118.700 -0.226 0.000 2.109 18 N HA -0.075 4.665 4.740 0.001 0.000 0.188 18 N C 2.245 177.750 175.510 -0.007 0.000 1.034 18 N CA 1.494 54.511 53.050 -0.056 0.000 0.846 18 N CB -1.036 37.362 38.487 -0.148 0.000 1.010 18 N HN 0.553 nan 8.380 nan 0.000 0.425 19 G N 1.868 110.640 108.800 -0.047 0.000 2.469 19 G HA2 -0.239 3.722 3.960 0.001 0.000 0.219 19 G HA3 -0.239 3.722 3.960 0.001 0.000 0.219 19 G C 1.606 176.528 174.900 0.037 0.000 1.150 19 G CA 0.802 45.902 45.100 -0.001 0.000 0.763 19 G HN 0.261 nan 8.290 nan 0.000 0.561 20 L N 1.310 122.552 121.223 0.032 0.000 2.046 20 L HA 0.159 4.500 4.340 0.001 0.000 0.208 20 L C 3.097 180.049 176.870 0.136 0.000 1.077 20 L CA 2.128 57.014 54.840 0.076 0.000 0.747 20 L CB -0.746 41.315 42.059 0.002 0.000 0.896 20 L HN 0.242 nan 8.230 nan 0.000 0.432 21 A N -0.678 122.211 122.820 0.115 0.000 1.917 21 A HA -0.224 4.097 4.320 0.001 0.000 0.219 21 A C 2.114 179.771 177.584 0.123 0.000 1.182 21 A CA 1.839 53.948 52.037 0.119 0.000 0.633 21 A CB -0.607 18.468 19.000 0.124 0.000 0.819 21 A HN 0.555 nan 8.150 nan 0.000 0.448 22 E N -0.031 120.234 120.200 0.108 0.000 2.023 22 E HA -0.158 4.192 4.350 0.001 0.000 0.196 22 E C 2.225 178.921 176.600 0.160 0.000 1.003 22 E CA 1.484 57.950 56.400 0.109 0.000 0.809 22 E CB -1.142 28.606 29.700 0.081 0.000 0.755 22 E HN 0.381 nan 8.360 nan 0.000 0.449 23 V N 1.241 121.265 119.914 0.183 0.000 2.370 23 V HA -0.276 3.845 4.120 0.001 0.000 0.252 23 V C 2.393 178.737 176.094 0.418 0.000 1.068 23 V CA 2.131 64.591 62.300 0.268 0.000 1.061 23 V CB -1.305 30.649 31.823 0.219 0.000 0.656 23 V HN 0.379 nan 8.190 nan 0.000 0.455 24 G N -0.614 108.393 108.800 0.345 0.000 2.408 24 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 24 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 24 G C 1.662 176.688 174.900 0.209 0.000 1.150 24 G CA 0.743 45.983 45.100 0.233 0.000 0.776 24 G HN 0.490 nan 8.290 nan 0.000 0.542 25 K N 0.164 120.666 120.400 0.171 0.000 2.097 25 K HA -0.051 4.270 4.320 0.001 0.000 0.205 25 K C 2.402 179.096 176.600 0.156 0.000 1.050 25 K CA 1.296 57.662 56.287 0.132 0.000 0.938 25 K CB -0.045 32.516 32.500 0.102 0.000 0.718 25 K HN 0.214 nan 8.250 nan 0.000 0.442 26 K N 0.869 121.399 120.400 0.217 0.000 2.148 26 K HA -0.144 4.177 4.320 0.001 0.000 0.204 26 K C 1.739 178.529 176.600 0.316 0.000 1.050 26 K CA 1.115 57.559 56.287 0.262 0.000 0.942 26 K CB -0.318 32.371 32.500 0.316 0.000 0.724 26 K HN 0.025 nan 8.250 nan 0.000 0.446 27 F N 1.634 121.631 119.950 0.078 0.000 2.113 27 F HA -0.020 4.507 4.527 0.001 0.000 0.297 27 F C 2.113 177.843 175.800 -0.118 0.000 1.103 27 F CA 1.794 59.638 58.000 -0.261 0.000 1.248 27 F CB -0.371 38.480 39.000 -0.247 0.000 0.999 27 F HN 0.227 nan 8.300 nan 0.000 0.475 28 E N 0.387 120.596 120.200 0.015 0.000 2.085 28 E HA -0.315 4.036 4.350 0.001 0.000 0.194 28 E C 2.343 178.889 176.600 -0.091 0.000 0.994 28 E CA 1.548 57.907 56.400 -0.069 0.000 0.801 28 E CB -0.230 29.483 29.700 0.023 0.000 0.743 28 E HN 0.426 nan 8.360 nan 0.000 0.453 29 K N 0.259 120.650 120.400 -0.016 0.000 2.032 29 K HA -0.198 4.123 4.320 0.001 0.000 0.209 29 K C 1.367 177.950 176.600 -0.029 0.000 1.048 29 K CA 2.064 58.351 56.287 -0.001 0.000 0.927 29 K CB 0.037 32.566 32.500 0.049 0.000 0.712 29 K HN 0.072 nan 8.250 nan 0.000 0.441 30 D N -0.813 119.566 120.400 -0.034 0.000 2.289 30 D HA -0.036 4.604 4.640 0.001 0.000 0.207 30 D C 1.362 177.566 176.300 -0.160 0.000 0.966 30 D CA 0.953 54.931 54.000 -0.035 0.000 0.868 30 D CB 0.290 41.157 40.800 0.112 0.000 0.943 30 D HN 0.253 nan 8.370 nan 0.000 0.514 31 T N -1.486 112.861 114.554 -0.345 0.000 3.042 31 T HA 0.293 4.644 4.350 0.001 0.000 0.245 31 T C 1.510 176.058 174.700 -0.252 0.000 1.029 31 T CA 0.772 62.612 62.100 -0.434 0.000 1.120 31 T CB 0.770 69.045 68.868 -0.989 0.000 0.917 31 T HN 0.231 nan 8.240 nan 0.000 0.467 32 G N 1.504 110.184 108.800 -0.200 0.000 2.141 32 G HA2 -0.190 3.771 3.960 0.001 0.000 0.231 32 G HA3 -0.190 3.771 3.960 0.001 0.000 0.231 32 G C 0.042 174.884 174.900 -0.098 0.000 0.984 32 G CA -0.300 44.733 45.100 -0.111 0.000 0.660 32 G HN 0.530 nan 8.290 nan 0.000 0.525 33 I N 0.569 121.057 120.570 -0.138 0.000 2.362 33 I HA 0.336 4.507 4.170 0.001 0.000 0.289 33 I C 0.398 176.517 176.117 0.004 0.000 0.994 33 I CA -1.113 60.152 61.300 -0.057 0.000 1.158 33 I CB 1.604 39.586 38.000 -0.029 0.000 1.315 33 I HN -0.027 nan 8.210 nan 0.000 0.451 34 K N 5.503 125.907 120.400 0.007 0.000 2.416 34 K HA 0.266 4.586 4.320 0.001 0.000 0.283 34 K C -1.041 175.564 176.600 0.009 0.000 1.037 34 K CA 0.016 56.311 56.287 0.013 0.000 0.995 34 K CB 0.622 33.124 32.500 0.004 0.000 0.938 34 K HN 0.334 nan 8.250 nan 0.000 0.475 35 V N 4.361 124.276 119.914 0.001 0.000 2.384 35 V HA 0.320 4.440 4.120 0.001 0.000 0.287 35 V C -0.349 175.723 176.094 -0.038 0.000 1.020 35 V CA -0.830 61.429 62.300 -0.068 0.000 0.850 35 V CB 1.666 33.400 31.823 -0.149 0.000 0.987 35 V HN 0.808 nan 8.190 nan 0.000 0.436 36 T N 4.619 119.153 114.554 -0.033 0.000 2.756 36 T HA 0.483 4.834 4.350 0.001 0.000 0.290 36 T C -0.220 174.500 174.700 0.032 0.000 0.985 36 T CA -0.298 61.807 62.100 0.008 0.000 0.955 36 T CB 1.357 70.239 68.868 0.023 0.000 0.930 36 T HN 0.360 nan 8.240 nan 0.000 0.451 37 V N 4.998 124.938 119.914 0.043 0.000 2.328 37 V HA 0.370 4.490 4.120 0.001 0.000 0.278 37 V C 0.131 176.239 176.094 0.023 0.000 1.021 37 V CA -0.656 61.687 62.300 0.072 0.000 0.838 37 V CB 0.889 32.769 31.823 0.095 0.000 0.999 37 V HN 0.840 nan 8.190 nan 0.000 0.447 38 E N 3.133 123.346 120.200 0.022 0.000 2.263 38 E HA 0.615 4.965 4.350 0.001 0.000 0.264 38 E C -1.064 175.355 176.600 -0.301 0.000 0.923 38 E CA -0.859 55.405 56.400 -0.227 0.000 0.802 38 E CB 2.009 31.588 29.700 -0.202 0.000 1.228 38 E HN 0.947 nan 8.360 nan 0.000 0.417 39 H N -1.184 117.650 119.070 -0.393 0.000 2.379 39 H HA 0.383 4.940 4.556 0.001 0.000 0.229 39 H C -2.807 172.292 175.328 -0.382 0.000 1.423 39 H CA -2.426 53.387 56.048 -0.392 0.000 1.375 39 H CB -0.510 28.935 29.762 -0.529 0.000 1.592 39 H HN 0.166 nan 8.280 nan 0.000 0.507 40 P HA 0.008 nan 4.420 nan 0.000 0.270 40 P C -0.099 177.060 177.300 -0.236 0.000 1.227 40 P CA -0.056 62.774 63.100 -0.451 0.000 0.788 40 P CB 0.818 32.053 31.700 -0.774 0.000 0.926 41 D N 1.770 122.061 120.400 -0.182 0.000 2.277 41 D HA 0.078 4.718 4.640 0.001 0.000 0.249 41 D C 0.158 176.396 176.300 -0.104 0.000 1.134 41 D CA -0.085 53.855 54.000 -0.100 0.000 0.863 41 D CB 0.471 41.225 40.800 -0.076 0.000 1.143 41 D HN 0.354 nan 8.370 nan 0.000 0.458 42 K N 0.836 121.197 120.400 -0.066 0.000 3.125 42 K HA -0.222 4.098 4.320 0.001 0.000 0.268 42 K C 1.259 177.774 176.600 -0.141 0.000 1.078 42 K CA 0.082 56.315 56.287 -0.090 0.000 0.775 42 K CB -1.794 30.669 32.500 -0.061 0.000 1.253 42 K HN 0.369 nan 8.250 nan 0.000 0.486 43 L N -0.167 120.970 121.223 -0.143 0.000 2.187 43 L HA -0.159 4.181 4.340 0.001 0.000 0.213 43 L C 2.353 179.175 176.870 -0.079 0.000 1.100 43 L CA 2.022 56.800 54.840 -0.102 0.000 0.765 43 L CB -0.501 41.551 42.059 -0.012 0.000 0.904 43 L HN 0.378 nan 8.230 nan 0.000 0.437 44 E N 1.021 120.953 120.200 -0.446 0.000 2.204 44 E HA -0.242 4.108 4.350 0.001 0.000 0.194 44 E C 1.550 178.043 176.600 -0.179 0.000 0.989 44 E CA 1.695 57.745 56.400 -0.584 0.000 0.824 44 E CB -0.358 28.456 29.700 -1.475 0.000 0.756 44 E HN 0.829 nan 8.360 nan 0.000 0.477 45 E N 0.701 120.828 120.200 -0.121 0.000 2.216 45 E HA 0.046 4.396 4.350 0.001 0.000 0.192 45 E C 2.050 178.662 176.600 0.020 0.000 0.973 45 E CA 0.244 56.640 56.400 -0.006 0.000 0.851 45 E CB 0.169 29.875 29.700 0.009 0.000 0.804 45 E HN 0.205 nan 8.360 nan 0.000 0.477 46 K N 0.533 120.952 120.400 0.032 0.000 2.097 46 K HA -0.106 4.215 4.320 0.001 0.000 0.205 46 K C 1.920 178.594 176.600 0.123 0.000 1.050 46 K CA 0.852 57.184 56.287 0.075 0.000 0.938 46 K CB -0.185 32.361 32.500 0.075 0.000 0.718 46 K HN 0.021 nan 8.250 nan 0.000 0.442 47 F N 3.540 123.519 119.950 0.048 0.000 2.027 47 F HA -0.200 4.328 4.527 0.001 0.000 0.297 47 F C -1.049 174.588 175.800 -0.272 0.000 1.129 47 F CA 1.537 59.460 58.000 -0.128 0.000 1.195 47 F CB -1.116 37.673 39.000 -0.352 0.000 0.960 47 F HN -0.018 nan 8.300 nan 0.000 0.485 48 P HA -0.223 nan 4.420 nan 0.000 0.218 48 P C 1.119 178.261 177.300 -0.264 0.000 1.146 48 P CA 1.916 64.818 63.100 -0.330 0.000 0.813 48 P CB -0.234 31.461 31.700 -0.009 0.000 0.778 49 Q N -0.010 119.683 119.800 -0.178 0.000 1.946 49 Q HA -0.090 4.250 4.340 0.001 0.000 0.199 49 Q C 2.480 178.375 176.000 -0.174 0.000 0.979 49 Q CA 1.997 57.725 55.803 -0.126 0.000 0.834 49 Q CB -0.910 27.792 28.738 -0.061 0.000 0.899 49 Q HN 0.182 nan 8.270 nan 0.000 0.431 50 V N -0.998 118.809 119.914 -0.177 0.000 2.332 50 V HA -0.209 3.912 4.120 0.001 0.000 0.248 50 V C 2.193 178.101 176.094 -0.310 0.000 1.055 50 V CA 1.916 64.105 62.300 -0.186 0.000 1.038 50 V CB -1.418 30.342 31.823 -0.104 0.000 0.651 50 V HN 0.344 nan 8.190 nan 0.000 0.450 51 A N 0.637 123.123 122.820 -0.556 0.000 2.024 51 A HA 0.062 4.382 4.320 0.001 0.000 0.220 51 A C 2.481 179.850 177.584 -0.359 0.000 1.164 51 A CA 2.321 53.983 52.037 -0.625 0.000 0.643 51 A CB -0.988 17.290 19.000 -1.203 0.000 0.806 51 A HN 1.027 nan 8.150 nan 0.000 0.451 52 A N -0.266 122.381 122.820 -0.287 0.000 1.898 52 A HA -0.080 4.240 4.320 0.001 0.000 0.216 52 A C 2.310 179.818 177.584 -0.126 0.000 1.181 52 A CA 2.238 54.173 52.037 -0.169 0.000 0.620 52 A CB -1.208 17.716 19.000 -0.127 0.000 0.819 52 A HN 0.820 nan 8.150 nan 0.000 0.442 53 T N -4.393 110.084 114.554 -0.128 0.000 3.148 53 T HA 0.395 4.746 4.350 0.001 0.000 0.253 53 T C 1.321 175.963 174.700 -0.096 0.000 1.134 53 T CA 1.095 63.139 62.100 -0.093 0.000 1.051 53 T CB 0.036 68.857 68.868 -0.078 0.000 0.959 53 T HN 1.714 nan 8.240 nan 0.000 0.525 54 G N 0.659 109.383 108.800 -0.127 0.000 2.175 54 G HA2 -0.196 3.765 3.960 0.001 0.000 0.244 54 G HA3 -0.196 3.765 3.960 0.001 0.000 0.244 54 G C -0.256 174.568 174.900 -0.127 0.000 0.982 54 G CA 0.044 45.075 45.100 -0.115 0.000 0.641 54 G HN 0.621 nan 8.290 nan 0.000 0.527 55 D N -0.423 119.889 120.400 -0.147 0.000 2.530 55 D HA 0.663 5.304 4.640 0.001 0.000 0.282 55 D C 1.006 177.168 176.300 -0.229 0.000 1.204 55 D CA 0.984 54.898 54.000 -0.142 0.000 1.093 55 D CB 0.522 41.265 40.800 -0.095 0.000 1.154 55 D HN 1.349 nan 8.370 nan 0.000 0.593 56 G N -0.692 107.971 108.800 -0.229 0.000 2.566 56 G HA2 -0.020 3.941 3.960 0.001 0.000 0.599 56 G HA3 -0.020 3.941 3.960 0.001 0.000 0.599 56 G C -2.792 171.808 174.900 -0.500 0.000 1.292 56 G CA -0.810 44.028 45.100 -0.438 0.000 0.922 56 G HN 0.423 nan 8.290 nan 0.000 0.514 57 P HA 0.402 nan 4.420 nan 0.000 0.279 57 P C -0.087 177.035 177.300 -0.297 0.000 1.276 57 P CA 0.034 62.729 63.100 -0.674 0.000 0.801 57 P CB 0.983 31.924 31.700 -1.266 0.000 1.127 58 D N -0.686 119.600 120.400 -0.191 0.000 2.183 58 D HA 0.117 4.758 4.640 0.001 0.000 0.205 58 D C 0.376 176.644 176.300 -0.054 0.000 0.962 58 D CA 1.159 55.103 54.000 -0.094 0.000 0.849 58 D CB -0.022 40.730 40.800 -0.079 0.000 0.978 58 D HN 0.288 nan 8.370 nan 0.000 0.488 59 I N 0.973 121.504 120.570 -0.065 0.000 2.498 59 I HA 0.359 4.529 4.170 0.001 0.000 0.290 59 I C -1.096 175.027 176.117 0.010 0.000 1.032 59 I CA -0.922 60.373 61.300 -0.008 0.000 1.073 59 I CB 2.871 40.912 38.000 0.070 0.000 1.251 59 I HN -0.108 nan 8.210 nan 0.000 0.426 60 I N 5.171 125.703 120.570 -0.063 0.000 2.509 60 I HA 0.520 4.690 4.170 0.001 0.000 0.293 60 I C -1.550 174.655 176.117 0.146 0.000 1.020 60 I CA -0.434 60.856 61.300 -0.016 0.000 1.088 60 I CB 1.671 39.294 38.000 -0.628 0.000 1.267 60 I HN 0.329 nan 8.210 nan 0.000 0.430 61 F N 7.273 127.387 119.950 0.274 0.000 2.450 61 F HA 0.637 5.165 4.527 0.001 0.000 0.332 61 F C -0.421 175.680 175.800 0.503 0.000 1.093 61 F CA -0.110 58.101 58.000 0.351 0.000 1.003 61 F CB 1.577 40.713 39.000 0.227 0.000 1.151 61 F HN 0.467 nan 8.300 nan 0.000 0.474 62 W N 1.017 122.572 121.300 0.425 0.000 3.073 62 W HA 0.512 5.172 4.660 0.001 0.000 0.347 62 W C -1.476 175.238 176.519 0.326 0.000 1.059 62 W CA -1.244 56.270 57.345 0.281 0.000 1.075 62 W CB 1.026 30.575 29.460 0.148 0.000 1.467 62 W HN 0.702 nan 8.180 nan 0.000 0.555 63 A N 2.462 125.147 122.820 -0.224 0.000 2.425 63 A HA 0.107 4.428 4.320 0.001 0.000 0.242 63 A C 1.406 179.199 177.584 0.349 0.000 1.077 63 A CA 0.944 52.983 52.037 0.003 0.000 0.781 63 A CB -0.074 18.800 19.000 -0.209 0.000 1.020 63 A HN 0.815 nan 8.150 nan 0.000 0.494 64 H N 1.665 120.849 119.070 0.190 0.000 2.422 64 H HA -0.196 4.360 4.556 0.001 0.000 0.298 64 H C 1.159 176.677 175.328 0.317 0.000 1.098 64 H CA 1.704 57.879 56.048 0.212 0.000 1.315 64 H CB -0.673 29.108 29.762 0.031 0.000 1.382 64 H HN 0.828 nan 8.280 nan 0.000 0.523 65 D N 1.295 121.335 120.400 -0.599 0.000 2.280 65 D HA -0.245 4.395 4.640 0.001 0.000 0.206 65 D C 2.049 178.281 176.300 -0.113 0.000 0.988 65 D CA 1.074 54.856 54.000 -0.362 0.000 0.886 65 D CB -0.599 40.065 40.800 -0.226 0.000 0.914 65 D HN 0.425 nan 8.370 nan 0.000 0.473 66 R N -1.508 118.963 120.500 -0.049 0.000 2.312 66 R HA 0.154 4.494 4.340 0.001 0.000 0.205 66 R C 1.461 177.266 176.300 -0.824 0.000 0.904 66 R CA -0.188 55.666 56.100 -0.409 0.000 1.052 66 R CB 0.021 30.006 30.300 -0.526 0.000 1.014 66 R HN 0.051 nan 8.270 nan 0.000 0.503 67 F N -0.756 118.945 119.950 -0.415 0.000 2.325 67 F HA 0.103 4.631 4.527 0.001 0.000 0.299 67 F C 2.301 177.891 175.800 -0.350 0.000 1.090 67 F CA 1.107 58.909 58.000 -0.329 0.000 1.392 67 F CB -0.463 38.506 39.000 -0.051 0.000 1.053 67 F HN 0.105 nan 8.300 nan 0.000 0.521 68 G N 0.020 108.651 108.800 -0.281 0.000 2.418 68 G HA2 -0.186 3.774 3.960 0.001 0.000 0.217 68 G HA3 -0.186 3.774 3.960 0.001 0.000 0.217 68 G C 2.075 176.586 174.900 -0.649 0.000 1.158 68 G CA 0.871 45.533 45.100 -0.730 0.000 0.771 68 G HN 0.480 nan 8.290 nan 0.000 0.545 69 G N -0.195 108.357 108.800 -0.414 0.000 2.422 69 G HA2 -0.154 3.807 3.960 0.001 0.000 0.218 69 G HA3 -0.154 3.807 3.960 0.001 0.000 0.218 69 G C 1.618 176.486 174.900 -0.054 0.000 1.146 69 G CA 1.006 45.965 45.100 -0.235 0.000 0.769 69 G HN 0.378 nan 8.290 nan 0.000 0.547 70 Y N 1.312 121.553 120.300 -0.098 0.000 2.133 70 Y HA 0.086 4.637 4.550 0.001 0.000 0.287 70 Y C 3.154 179.066 175.900 0.019 0.000 1.134 70 Y CA 0.067 58.164 58.100 -0.004 0.000 1.133 70 Y CB -1.299 37.180 38.460 0.030 0.000 0.987 70 Y HN 0.257 nan 8.280 nan 0.000 0.502 71 A N 0.029 122.941 122.820 0.153 0.000 1.873 71 A HA -0.325 3.995 4.320 0.001 0.000 0.218 71 A C 2.233 179.899 177.584 0.136 0.000 1.193 71 A CA 2.243 54.364 52.037 0.141 0.000 0.629 71 A CB -0.969 18.100 19.000 0.115 0.000 0.826 71 A HN 0.408 nan 8.150 nan 0.000 0.447 72 Q N 0.429 120.266 119.800 0.062 0.000 2.152 72 Q HA -0.122 4.218 4.340 0.001 0.000 0.206 72 Q C 1.715 177.782 176.000 0.111 0.000 0.985 72 Q CA 2.179 58.067 55.803 0.141 0.000 0.863 72 Q CB -0.515 28.275 28.738 0.087 0.000 0.904 72 Q HN 0.537 nan 8.270 nan 0.000 0.422 73 S N -0.711 115.045 115.700 0.094 0.000 2.710 73 S HA 0.296 4.766 4.470 0.001 0.000 0.224 73 S C 0.806 175.442 174.600 0.061 0.000 0.948 73 S CA 0.356 58.600 58.200 0.073 0.000 0.949 73 S CB -0.176 63.066 63.200 0.069 0.000 0.778 73 S HN 0.661 nan 8.310 nan 0.000 0.498 74 G N 1.723 110.574 108.800 0.085 0.000 2.258 74 G HA2 -0.272 3.689 3.960 0.001 0.000 0.274 74 G HA3 -0.272 3.689 3.960 0.001 0.000 0.274 74 G C 0.485 175.419 174.900 0.057 0.000 1.021 74 G CA 0.491 45.635 45.100 0.074 0.000 0.798 74 G HN 0.586 nan 8.290 nan 0.000 0.507 75 L N -1.457 119.813 121.223 0.078 0.000 2.592 75 L HA 0.396 4.737 4.340 0.001 0.000 0.227 75 L C 1.063 178.023 176.870 0.151 0.000 1.127 75 L CA 0.234 55.097 54.840 0.038 0.000 0.884 75 L CB 0.031 42.062 42.059 -0.047 0.000 1.065 75 L HN 0.201 nan 8.230 nan 0.000 0.457 76 L N 0.155 121.487 121.223 0.182 0.000 2.362 76 L HA 0.637 4.978 4.340 0.001 0.000 0.275 76 L C 0.114 177.071 176.870 0.145 0.000 0.998 76 L CA -0.583 54.380 54.840 0.204 0.000 0.820 76 L CB 1.958 44.181 42.059 0.273 0.000 1.270 76 L HN -0.109 nan 8.230 nan 0.000 0.415 77 A N 2.248 125.143 122.820 0.125 0.000 2.388 77 A HA 0.258 4.579 4.320 0.001 0.000 0.257 77 A C -0.013 177.626 177.584 0.091 0.000 1.095 77 A CA -0.264 51.829 52.037 0.093 0.000 0.791 77 A CB 0.433 19.481 19.000 0.080 0.000 1.029 77 A HN 0.778 nan 8.150 nan 0.000 0.489 78 E N 1.021 121.263 120.200 0.070 0.000 2.360 78 E HA 0.319 4.670 4.350 0.001 0.000 0.269 78 E C -0.415 176.199 176.600 0.023 0.000 1.022 78 E CA -0.240 56.190 56.400 0.050 0.000 0.887 78 E CB 0.349 30.072 29.700 0.038 0.000 0.990 78 E HN 0.574 nan 8.360 nan 0.000 0.426 79 I N 1.422 121.979 120.570 -0.022 0.000 2.437 79 I HA 0.425 4.595 4.170 0.001 0.000 0.298 79 I C -0.385 175.667 176.117 -0.109 0.000 0.984 79 I CA -0.316 60.937 61.300 -0.079 0.000 1.214 79 I CB 2.016 39.847 38.000 -0.281 0.000 1.365 79 I HN 0.347 nan 8.210 nan 0.000 0.469 80 T N 3.155 117.665 114.554 -0.073 0.000 3.296 80 T HA 0.508 4.858 4.350 0.001 0.000 0.333 80 T C -2.287 172.385 174.700 -0.046 0.000 1.280 80 T CA -0.999 61.054 62.100 -0.079 0.000 1.558 80 T CB 0.150 68.993 68.868 -0.041 0.000 0.929 80 T HN 0.675 nan 8.240 nan 0.000 0.596 81 P HA 0.557 nan 4.420 nan 0.000 0.277 81 P C 0.123 177.448 177.300 0.041 0.000 1.240 81 P CA -0.438 62.702 63.100 0.067 0.000 0.798 81 P CB 0.847 32.738 31.700 0.318 0.000 0.979 82 A N 1.819 124.695 122.820 0.093 0.000 2.466 82 A HA 0.369 4.689 4.320 0.001 0.000 0.238 82 A C 1.708 179.337 177.584 0.075 0.000 1.074 82 A CA 0.290 52.368 52.037 0.069 0.000 0.774 82 A CB -0.372 18.678 19.000 0.083 0.000 1.015 82 A HN 0.639 nan 8.150 nan 0.000 0.498 83 A N 1.624 124.457 122.820 0.021 0.000 1.948 83 A HA 0.056 4.377 4.320 0.001 0.000 0.220 83 A C 2.379 179.985 177.584 0.036 0.000 1.177 83 A CA 2.583 54.618 52.037 -0.003 0.000 0.636 83 A CB -1.092 17.900 19.000 -0.013 0.000 0.815 83 A HN 1.739 nan 8.150 nan 0.000 0.449 84 A N -1.093 121.771 122.820 0.072 0.000 1.883 84 A HA -0.078 4.243 4.320 0.001 0.000 0.217 84 A C 2.051 179.711 177.584 0.126 0.000 1.186 84 A CA 1.724 53.812 52.037 0.085 0.000 0.624 84 A CB -0.761 18.296 19.000 0.094 0.000 0.822 84 A HN 0.676 nan 8.150 nan 0.000 0.444 85 F N 0.721 120.704 119.950 0.056 0.000 2.075 85 F HA -0.212 4.315 4.527 0.001 0.000 0.297 85 F C 2.553 178.464 175.800 0.184 0.000 1.113 85 F CA 2.230 60.299 58.000 0.115 0.000 1.218 85 F CB -0.652 38.437 39.000 0.149 0.000 0.984 85 F HN 0.339 nan 8.300 nan 0.000 0.472 86 Q N -0.074 119.798 119.800 0.120 0.000 2.133 86 Q HA -0.263 4.078 4.340 0.001 0.000 0.208 86 Q C 1.776 177.855 176.000 0.132 0.000 0.991 86 Q CA 1.900 57.748 55.803 0.075 0.000 0.867 86 Q CB -0.449 28.131 28.738 -0.263 0.000 0.911 86 Q HN 0.441 nan 8.270 nan 0.000 0.417 87 D N 0.384 120.795 120.400 0.017 0.000 2.263 87 D HA -0.125 4.516 4.640 0.001 0.000 0.208 87 D C 1.410 177.666 176.300 -0.073 0.000 0.971 87 D CA 0.990 54.989 54.000 -0.002 0.000 0.867 87 D CB -0.064 40.731 40.800 -0.009 0.000 0.929 87 D HN 0.269 nan 8.370 nan 0.000 0.492 88 K N -0.375 119.936 120.400 -0.149 0.000 2.148 88 K HA -0.065 4.256 4.320 0.001 0.000 0.204 88 K C 0.361 176.769 176.600 -0.321 0.000 1.050 88 K CA 0.376 56.516 56.287 -0.245 0.000 0.942 88 K CB 0.192 32.481 32.500 -0.352 0.000 0.724 88 K HN 0.044 nan 8.250 nan 0.000 0.446 89 L N 0.336 121.393 121.223 -0.277 0.000 2.344 89 L HA 0.227 4.567 4.340 0.001 0.000 0.272 89 L C -0.266 176.427 176.870 -0.296 0.000 1.035 89 L CA -0.698 53.907 54.840 -0.392 0.000 0.807 89 L CB 0.319 42.012 42.059 -0.610 0.000 1.237 89 L HN -0.042 nan 8.230 nan 0.000 0.442 90 Y N 2.784 122.938 120.300 -0.243 0.000 2.610 90 Y HA 0.053 4.604 4.550 0.001 0.000 0.332 90 Y C -1.264 174.563 175.900 -0.121 0.000 1.201 90 Y CA -1.075 56.937 58.100 -0.148 0.000 1.465 90 Y CB -0.138 38.190 38.460 -0.219 0.000 1.283 90 Y HN 0.561 nan 8.280 nan 0.000 0.563 91 P HA -0.248 nan 4.420 nan 0.000 0.216 91 P C 1.495 178.937 177.300 0.237 0.000 1.153 91 P CA 1.663 64.942 63.100 0.298 0.000 0.858 91 P CB -0.126 31.723 31.700 0.248 0.000 0.789 92 F N 0.184 120.222 119.950 0.147 0.000 2.269 92 F HA -0.141 4.387 4.527 0.001 0.000 0.301 92 F C 1.762 177.579 175.800 0.028 0.000 1.082 92 F CA 1.689 59.733 58.000 0.075 0.000 1.360 92 F CB -2.134 36.881 39.000 0.024 0.000 1.041 92 F HN -0.094 nan 8.300 nan 0.000 0.512 93 T N -3.523 110.519 114.554 -0.854 0.000 2.904 93 T HA -0.161 4.189 4.350 0.001 0.000 0.267 93 T C 1.616 176.079 174.700 -0.395 0.000 1.059 93 T CA 1.018 62.656 62.100 -0.771 0.000 1.137 93 T CB -1.182 67.175 68.868 -0.852 0.000 0.879 93 T HN 0.580 nan 8.240 nan 0.000 0.467 94 W N 1.989 123.183 121.300 -0.178 0.000 2.388 94 W HA 0.052 4.712 4.660 0.001 0.000 0.294 94 W C 2.137 178.623 176.519 -0.056 0.000 1.212 94 W CA 0.263 57.547 57.345 -0.102 0.000 1.271 94 W CB -0.105 29.313 29.460 -0.070 0.000 1.126 94 W HN 0.186 nan 8.180 nan 0.000 0.535 95 D N 0.185 120.708 120.400 0.206 0.000 2.149 95 D HA -0.182 4.458 4.640 0.001 0.000 0.198 95 D C 2.187 178.557 176.300 0.116 0.000 0.990 95 D CA 1.756 55.855 54.000 0.164 0.000 0.839 95 D CB -0.808 40.095 40.800 0.171 0.000 0.948 95 D HN 0.127 nan 8.370 nan 0.000 0.460 96 A N 0.559 123.388 122.820 0.014 0.000 2.024 96 A HA -0.128 4.192 4.320 0.001 0.000 0.220 96 A C 1.996 179.585 177.584 0.008 0.000 1.164 96 A CA 1.605 53.565 52.037 -0.128 0.000 0.643 96 A CB -0.296 18.436 19.000 -0.447 0.000 0.806 96 A HN 0.247 nan 8.150 nan 0.000 0.451 97 V N -3.201 116.735 119.914 0.037 0.000 3.043 97 V HA 0.426 4.547 4.120 0.001 0.000 0.357 97 V C 0.310 176.492 176.094 0.147 0.000 1.372 97 V CA -0.304 62.035 62.300 0.065 0.000 1.214 97 V CB -0.798 31.002 31.823 -0.039 0.000 1.224 97 V HN 0.399 nan 8.190 nan 0.000 0.507 98 R N 0.894 121.502 120.500 0.181 0.000 2.310 98 R HA 0.491 4.832 4.340 0.001 0.000 0.324 98 R C -1.812 174.635 176.300 0.244 0.000 0.955 98 R CA -0.716 55.492 56.100 0.182 0.000 0.830 98 R CB 1.249 31.634 30.300 0.142 0.000 1.154 98 R HN 0.482 nan 8.270 nan 0.000 0.458 99 Y N 5.348 125.704 120.300 0.094 0.000 2.331 99 Y HA 0.247 4.798 4.550 0.001 0.000 0.334 99 Y C -0.392 175.552 175.900 0.074 0.000 0.960 99 Y CA -0.945 57.212 58.100 0.095 0.000 1.130 99 Y CB 1.145 39.668 38.460 0.106 0.000 1.164 99 Y HN 0.810 nan 8.280 nan 0.000 0.458 100 N N 4.322 122.724 118.700 -0.497 0.000 2.740 100 N HA -0.205 4.536 4.740 0.001 0.000 0.248 100 N C 0.926 176.356 175.510 -0.134 0.000 1.062 100 N CA 1.591 54.420 53.050 -0.369 0.000 0.704 100 N CB -1.137 37.086 38.487 -0.440 0.000 0.968 100 N HN 1.369 nan 8.380 nan 0.000 0.547 101 G N -1.402 107.359 108.800 -0.064 0.000 2.205 101 G HA2 -0.355 3.605 3.960 0.001 0.000 0.261 101 G HA3 -0.355 3.605 3.960 0.001 0.000 0.261 101 G C 0.093 174.993 174.900 0.000 0.000 0.980 101 G CA 1.082 46.171 45.100 -0.019 0.000 0.632 101 G HN 0.528 nan 8.290 nan 0.000 0.533 102 K N -0.064 120.349 120.400 0.022 0.000 2.156 102 K HA 0.677 4.998 4.320 0.001 0.000 0.250 102 K C 0.212 176.852 176.600 0.067 0.000 0.955 102 K CA -0.933 55.375 56.287 0.035 0.000 0.855 102 K CB 1.738 34.266 32.500 0.047 0.000 1.101 102 K HN 0.092 nan 8.250 nan 0.000 0.434 103 L N 4.439 125.674 121.223 0.021 0.000 2.315 103 L HA 0.211 4.552 4.340 0.001 0.000 0.283 103 L C 1.087 177.980 176.870 0.039 0.000 1.089 103 L CA 0.007 54.863 54.840 0.027 0.000 0.833 103 L CB 0.133 42.147 42.059 -0.074 0.000 1.170 103 L HN 0.696 nan 8.230 nan 0.000 0.442 104 I N 0.317 120.937 120.570 0.083 0.000 3.976 104 I HA 0.599 4.769 4.170 0.001 0.000 0.337 104 I C 0.444 176.594 176.117 0.054 0.000 1.359 104 I CA -0.168 61.196 61.300 0.106 0.000 1.098 104 I CB 0.359 38.479 38.000 0.199 0.000 1.027 104 I HN 0.531 nan 8.210 nan 0.000 0.394 105 A N 0.112 122.902 122.820 -0.050 0.000 2.522 105 A HA 0.615 4.935 4.320 0.001 0.000 0.291 105 A C -2.080 175.420 177.584 -0.140 0.000 1.039 105 A CA -0.534 51.427 52.037 -0.126 0.000 0.643 105 A CB 0.351 19.118 19.000 -0.388 0.000 1.310 105 A HN 0.153 nan 8.150 nan 0.000 0.436 106 Y N 1.200 121.451 120.300 -0.081 0.000 2.326 106 Y HA 0.496 5.047 4.550 0.001 0.000 0.337 106 Y C -1.957 173.779 175.900 -0.274 0.000 1.023 106 Y CA -1.962 56.090 58.100 -0.081 0.000 1.143 106 Y CB 1.174 39.639 38.460 0.008 0.000 1.183 106 Y HN 0.434 nan 8.280 nan 0.000 0.485 107 P HA 0.129 nan 4.420 nan 0.000 0.278 107 P C -0.080 177.086 177.300 -0.223 0.000 1.238 107 P CA 0.045 62.948 63.100 -0.329 0.000 0.794 107 P CB 1.860 33.246 31.700 -0.524 0.000 0.955 108 I N 0.704 121.204 120.570 -0.116 0.000 3.518 108 I HA 0.351 4.522 4.170 0.001 0.000 0.260 108 I C 1.046 177.160 176.117 -0.005 0.000 1.148 108 I CA 0.205 61.494 61.300 -0.019 0.000 1.440 108 I CB -0.901 37.159 38.000 0.100 0.000 1.485 108 I HN 0.358 nan 8.210 nan 0.000 0.456 109 A N 0.595 123.423 122.820 0.013 0.000 2.594 109 A HA 0.657 4.977 4.320 0.001 0.000 0.295 109 A C -1.233 176.386 177.584 0.059 0.000 1.071 109 A CA -0.368 51.694 52.037 0.042 0.000 0.685 109 A CB 1.577 20.623 19.000 0.076 0.000 1.285 109 A HN -0.143 nan 8.150 nan 0.000 0.405 110 V N 2.086 122.052 119.914 0.087 0.000 2.385 110 V HA 0.290 4.411 4.120 0.001 0.000 0.269 110 V C 0.028 176.205 176.094 0.139 0.000 1.043 110 V CA -0.035 62.346 62.300 0.135 0.000 0.906 110 V CB 0.588 32.525 31.823 0.189 0.000 0.995 110 V HN 0.860 nan 8.190 nan 0.000 0.467 111 E N 3.437 123.747 120.200 0.184 0.000 2.191 111 E HA 0.779 5.130 4.350 0.001 0.000 0.278 111 E C -0.307 176.431 176.600 0.230 0.000 0.972 111 E CA -0.480 56.054 56.400 0.224 0.000 0.804 111 E CB 2.029 31.959 29.700 0.383 0.000 1.110 111 E HN 0.808 nan 8.360 nan 0.000 0.394 112 A N 3.319 126.222 122.820 0.139 0.000 2.488 112 A HA 0.439 4.759 4.320 0.001 0.000 0.298 112 A C -0.925 176.672 177.584 0.022 0.000 1.044 112 A CA -0.728 51.378 52.037 0.115 0.000 0.693 112 A CB 0.783 19.839 19.000 0.093 0.000 1.272 112 A HN 0.561 nan 8.150 nan 0.000 0.402 113 L N 1.474 122.691 121.223 -0.010 0.000 2.452 113 L HA 0.494 4.835 4.340 0.001 0.000 0.267 113 L C 0.608 177.463 176.870 -0.024 0.000 1.188 113 L CA 0.159 54.961 54.840 -0.064 0.000 0.821 113 L CB 1.216 43.194 42.059 -0.134 0.000 1.102 113 L HN 0.753 nan 8.230 nan 0.000 0.470 114 S N 1.304 116.997 115.700 -0.012 0.000 2.651 114 S HA 0.533 5.004 4.470 0.001 0.000 0.279 114 S C -1.221 173.368 174.600 -0.019 0.000 1.148 114 S CA -0.636 57.572 58.200 0.015 0.000 0.837 114 S CB 2.007 65.264 63.200 0.094 0.000 1.138 114 S HN 0.363 nan 8.310 nan 0.000 0.478 115 L N 2.458 123.661 121.223 -0.032 0.000 2.260 115 L HA 0.574 4.914 4.340 0.001 0.000 0.289 115 L C -1.284 175.606 176.870 0.033 0.000 1.057 115 L CA 0.099 54.898 54.840 -0.068 0.000 0.811 115 L CB -0.240 41.741 42.059 -0.130 0.000 1.184 115 L HN 0.534 nan 8.230 nan 0.000 0.429 116 I N 6.878 127.424 120.570 -0.040 0.000 2.339 116 I HA 0.315 4.486 4.170 0.001 0.000 0.290 116 I C -0.836 175.289 176.117 0.013 0.000 0.994 116 I CA -0.792 60.485 61.300 -0.038 0.000 1.191 116 I CB 0.763 38.584 38.000 -0.299 0.000 1.343 116 I HN 0.597 nan 8.210 nan 0.000 0.458 117 Y N 4.423 124.783 120.300 0.100 0.000 2.562 117 Y HA 0.516 5.067 4.550 0.001 0.000 0.343 117 Y C -0.499 175.662 175.900 0.434 0.000 1.025 117 Y CA -1.802 56.455 58.100 0.262 0.000 1.082 117 Y CB 0.724 39.245 38.460 0.101 0.000 1.264 117 Y HN 0.433 nan 8.280 nan 0.000 0.478 118 N N 2.692 121.616 118.700 0.373 0.000 2.437 118 N HA 0.107 4.848 4.740 0.001 0.000 0.243 118 N C 0.391 175.933 175.510 0.053 0.000 1.041 118 N CA -0.090 53.002 53.050 0.069 0.000 0.940 118 N CB 0.790 39.228 38.487 -0.081 0.000 1.133 118 N HN 0.800 nan 8.380 nan 0.000 0.506 119 K N 1.995 122.341 120.400 -0.091 0.000 2.152 119 K HA -0.141 4.179 4.320 0.001 0.000 0.206 119 K C 0.354 176.970 176.600 0.026 0.000 1.048 119 K CA 1.182 57.458 56.287 -0.018 0.000 0.933 119 K CB 0.282 32.714 32.500 -0.113 0.000 0.721 119 K HN 0.576 nan 8.250 nan 0.000 0.447 120 D N 0.538 120.931 120.400 -0.011 0.000 2.183 120 D HA -0.079 4.562 4.640 0.001 0.000 0.203 120 D C 1.784 178.088 176.300 0.007 0.000 0.969 120 D CA 0.844 54.838 54.000 -0.010 0.000 0.842 120 D CB 0.124 40.904 40.800 -0.033 0.000 0.957 120 D HN 0.061 nan 8.370 nan 0.000 0.484 121 L N -0.510 120.723 121.223 0.018 0.000 2.354 121 L HA 0.144 4.485 4.340 0.001 0.000 0.212 121 L C 0.476 177.380 176.870 0.057 0.000 1.091 121 L CA 0.502 55.359 54.840 0.028 0.000 0.828 121 L CB 0.206 42.278 42.059 0.022 0.000 0.973 121 L HN -0.072 nan 8.230 nan 0.000 0.461 122 L N -0.579 120.706 121.223 0.103 0.000 2.534 122 L HA 0.398 4.739 4.340 0.001 0.000 0.259 122 L C -2.059 174.911 176.870 0.168 0.000 1.108 122 L CA -1.141 53.768 54.840 0.116 0.000 0.905 122 L CB 1.278 43.416 42.059 0.132 0.000 1.138 122 L HN -0.174 nan 8.230 nan 0.000 0.475 123 P HA -0.065 nan 4.420 nan 0.000 0.215 123 P C -0.588 176.758 177.300 0.075 0.000 1.157 123 P CA 1.362 64.525 63.100 0.106 0.000 0.874 123 P CB 0.155 31.883 31.700 0.046 0.000 0.790 124 N N -0.084 118.611 118.700 -0.008 0.000 2.626 124 N HA 0.225 4.966 4.740 0.001 0.000 0.242 124 N C -2.589 172.824 175.510 -0.162 0.000 1.005 124 N CA -1.649 51.345 53.050 -0.092 0.000 0.905 124 N CB 0.442 38.890 38.487 -0.065 0.000 1.128 124 N HN 0.154 nan 8.380 nan 0.000 0.512 125 P HA 0.138 nan 4.420 nan 0.000 0.272 125 P C -2.535 174.613 177.300 -0.255 0.000 1.223 125 P CA -0.935 61.951 63.100 -0.357 0.000 0.784 125 P CB 0.144 31.414 31.700 -0.717 0.000 0.923 126 P HA 0.058 nan 4.420 nan 0.000 0.268 126 P C 0.426 177.606 177.300 -0.201 0.000 1.205 126 P CA 0.066 63.062 63.100 -0.173 0.000 0.771 126 P CB 0.879 32.484 31.700 -0.158 0.000 0.858 127 K N 0.560 120.869 120.400 -0.152 0.000 2.361 127 K HA 0.074 4.395 4.320 0.001 0.000 0.196 127 K C 1.096 177.620 176.600 -0.127 0.000 1.039 127 K CA 0.818 57.021 56.287 -0.140 0.000 1.001 127 K CB 0.000 32.440 32.500 -0.100 0.000 0.795 127 K HN 0.652 nan 8.250 nan 0.000 0.495 128 T N -4.068 110.417 114.554 -0.114 0.000 2.907 128 T HA 0.284 4.635 4.350 0.001 0.000 0.292 128 T C 0.387 175.048 174.700 -0.065 0.000 1.043 128 T CA -0.903 61.162 62.100 -0.057 0.000 1.003 128 T CB 1.088 69.951 68.868 -0.009 0.000 1.084 128 T HN 0.104 nan 8.240 nan 0.000 0.483 129 W N 0.781 122.049 121.300 -0.053 0.000 2.388 129 W HA 0.096 4.757 4.660 0.001 0.000 0.294 129 W C 2.100 178.647 176.519 0.046 0.000 1.212 129 W CA 0.924 58.244 57.345 -0.042 0.000 1.271 129 W CB -0.260 29.061 29.460 -0.231 0.000 1.126 129 W HN 0.813 nan 8.180 nan 0.000 0.535 130 E N 0.170 120.481 120.200 0.186 0.000 2.265 130 E HA -0.217 4.134 4.350 0.001 0.000 0.196 130 E C 1.713 178.437 176.600 0.206 0.000 0.996 130 E CA 1.554 58.098 56.400 0.240 0.000 0.832 130 E CB -0.451 29.315 29.700 0.110 0.000 0.756 130 E HN 0.523 nan 8.360 nan 0.000 0.491 131 E N 0.232 120.498 120.200 0.110 0.000 2.479 131 E HA 0.028 4.379 4.350 0.001 0.000 0.193 131 E C 1.534 178.152 176.600 0.030 0.000 1.049 131 E CA 0.013 56.444 56.400 0.052 0.000 0.870 131 E CB -0.008 29.695 29.700 0.004 0.000 0.944 131 E HN 0.274 nan 8.360 nan 0.000 0.492 132 I N 1.376 121.991 120.570 0.074 0.000 2.353 132 I HA -0.087 4.084 4.170 0.001 0.000 0.248 132 I C -0.590 175.463 176.117 -0.107 0.000 1.119 132 I CA 0.498 61.807 61.300 0.015 0.000 1.417 132 I CB -0.913 37.139 38.000 0.087 0.000 1.078 132 I HN 0.094 nan 8.210 nan 0.000 0.421 133 P HA -0.168 nan 4.420 nan 0.000 0.215 133 P C 1.504 178.597 177.300 -0.345 0.000 1.153 133 P CA 1.744 64.489 63.100 -0.592 0.000 0.853 133 P CB 0.031 31.592 31.700 -0.233 0.000 0.788 134 A N -0.695 122.064 122.820 -0.101 0.000 1.898 134 A HA -0.163 4.158 4.320 0.001 0.000 0.216 134 A C 2.111 179.676 177.584 -0.032 0.000 1.181 134 A CA 1.323 53.343 52.037 -0.028 0.000 0.620 134 A CB -1.673 17.329 19.000 0.004 0.000 0.819 134 A HN 0.146 nan 8.150 nan 0.000 0.442 135 L N 0.427 121.622 121.223 -0.046 0.000 2.042 135 L HA -0.191 4.149 4.340 0.001 0.000 0.210 135 L C 1.853 178.712 176.870 -0.018 0.000 1.076 135 L CA 2.811 57.634 54.840 -0.029 0.000 0.749 135 L CB -0.722 41.316 42.059 -0.034 0.000 0.893 135 L HN 0.486 nan 8.230 nan 0.000 0.432 136 D N -0.957 119.411 120.400 -0.053 0.000 2.144 136 D HA -0.188 4.453 4.640 0.001 0.000 0.200 136 D C 2.127 178.471 176.300 0.074 0.000 0.978 136 D CA 1.260 55.270 54.000 0.016 0.000 0.833 136 D CB 0.074 40.885 40.800 0.017 0.000 0.961 136 D HN 0.334 nan 8.370 nan 0.000 0.470 137 K N 0.128 120.570 120.400 0.069 0.000 2.057 137 K HA -0.144 4.177 4.320 0.001 0.000 0.207 137 K C 2.139 178.773 176.600 0.056 0.000 1.049 137 K CA 1.034 57.378 56.287 0.094 0.000 0.931 137 K CB -0.082 32.476 32.500 0.097 0.000 0.714 137 K HN 0.236 nan 8.250 nan 0.000 0.440 138 E N 0.994 121.215 120.200 0.035 0.000 2.051 138 E HA -0.183 4.168 4.350 0.001 0.000 0.192 138 E C 1.992 178.608 176.600 0.028 0.000 0.991 138 E CA 1.000 57.416 56.400 0.026 0.000 0.799 138 E CB 0.051 29.761 29.700 0.016 0.000 0.748 138 E HN 0.220 nan 8.360 nan 0.000 0.449 139 L N 0.313 121.555 121.223 0.032 0.000 2.156 139 L HA -0.133 4.207 4.340 0.001 0.000 0.208 139 L C 2.530 179.422 176.870 0.038 0.000 1.095 139 L CA 0.814 55.675 54.840 0.034 0.000 0.770 139 L CB -0.149 41.933 42.059 0.039 0.000 0.914 139 L HN -0.009 nan 8.230 nan 0.000 0.439 140 K N 0.322 120.751 120.400 0.049 0.000 2.097 140 K HA -0.116 4.204 4.320 0.001 0.000 0.206 140 K C 2.110 178.730 176.600 0.034 0.000 1.049 140 K CA 1.322 57.637 56.287 0.048 0.000 0.933 140 K CB -0.367 32.171 32.500 0.064 0.000 0.717 140 K HN 0.266 nan 8.250 nan 0.000 0.442 141 A N 0.794 123.633 122.820 0.032 0.000 1.978 141 A HA -0.179 4.141 4.320 0.001 0.000 0.220 141 A C 1.311 178.906 177.584 0.018 0.000 1.170 141 A CA 1.610 53.661 52.037 0.023 0.000 0.636 141 A CB -0.271 18.743 19.000 0.022 0.000 0.810 141 A HN 0.276 nan 8.150 nan 0.000 0.448 142 K N -0.894 119.517 120.400 0.018 0.000 2.446 142 K HA 0.331 4.652 4.320 0.001 0.000 0.203 142 K C 0.675 177.283 176.600 0.013 0.000 1.027 142 K CA 0.327 56.622 56.287 0.013 0.000 1.166 142 K CB -0.033 32.474 32.500 0.012 0.000 0.869 142 K HN 0.552 nan 8.250 nan 0.000 0.504 143 G N 2.310 111.120 108.800 0.016 0.000 2.295 143 G HA2 -0.245 3.715 3.960 0.001 0.000 0.287 143 G HA3 -0.245 3.715 3.960 0.001 0.000 0.287 143 G C -0.496 174.413 174.900 0.016 0.000 1.055 143 G CA 0.210 45.319 45.100 0.015 0.000 0.922 143 G HN 0.133 nan 8.290 nan 0.000 0.503 144 K N -0.550 119.865 120.400 0.024 0.000 2.532 144 K HA 0.692 5.013 4.320 0.001 0.000 0.265 144 K C 0.019 176.646 176.600 0.045 0.000 0.948 144 K CA -0.156 56.149 56.287 0.029 0.000 0.842 144 K CB 1.832 34.346 32.500 0.023 0.000 1.392 144 K HN 0.618 nan 8.250 nan 0.000 0.436 145 S N -0.859 114.876 115.700 0.057 0.000 2.638 145 S HA 0.632 5.102 4.470 0.001 0.000 0.298 145 S C 0.809 175.461 174.600 0.086 0.000 1.111 145 S CA -0.294 57.952 58.200 0.077 0.000 1.027 145 S CB 1.857 65.107 63.200 0.083 0.000 1.064 145 S HN 0.602 nan 8.310 nan 0.000 0.525 146 A N 0.668 123.541 122.820 0.088 0.000 1.935 146 A HA 0.455 4.775 4.320 0.001 0.000 0.214 146 A C 0.464 178.109 177.584 0.101 0.000 1.178 146 A CA 0.759 52.842 52.037 0.077 0.000 0.640 146 A CB -0.506 18.518 19.000 0.040 0.000 0.825 146 A HN 0.965 nan 8.150 nan 0.000 0.447 147 L N -1.238 120.062 121.223 0.129 0.000 2.513 147 L HA 0.692 5.032 4.340 0.001 0.000 0.261 147 L C -1.469 175.527 176.870 0.210 0.000 0.945 147 L CA -0.190 54.750 54.840 0.166 0.000 0.848 147 L CB 1.819 43.972 42.059 0.158 0.000 1.334 147 L HN 0.256 nan 8.230 nan 0.000 0.407 148 M N 6.046 125.782 119.600 0.227 0.000 2.238 148 M HA 0.574 5.054 4.480 0.001 0.000 0.278 148 M C -1.611 174.833 176.300 0.241 0.000 1.040 148 M CA -0.368 55.041 55.300 0.180 0.000 0.969 148 M CB 1.981 34.642 32.600 0.103 0.000 1.694 148 M HN 0.586 nan 8.290 nan 0.000 0.472 149 F N 0.367 120.307 119.950 -0.017 0.000 2.686 149 F HA 0.570 5.098 4.527 0.001 0.000 0.311 149 F C -0.642 175.074 175.800 -0.140 0.000 1.128 149 F CA -1.344 56.602 58.000 -0.090 0.000 0.946 149 F CB 0.880 39.893 39.000 0.021 0.000 1.336 149 F HN 0.488 nan 8.300 nan 0.000 0.457 150 N N 2.059 120.569 118.700 -0.317 0.000 2.411 150 N HA 0.085 4.826 4.740 0.001 0.000 0.282 150 N C 0.282 175.617 175.510 -0.291 0.000 1.322 150 N CA 0.189 52.988 53.050 -0.418 0.000 0.943 150 N CB 0.127 38.191 38.487 -0.706 0.000 1.266 150 N HN 0.789 nan 8.380 nan 0.000 0.486 151 L N 1.858 122.889 121.223 -0.321 0.000 2.599 151 L HA 0.028 4.369 4.340 0.001 0.000 0.230 151 L C 1.500 178.357 176.870 -0.022 0.000 1.141 151 L CA 0.172 54.881 54.840 -0.217 0.000 0.877 151 L CB -0.084 41.810 42.059 -0.274 0.000 1.009 151 L HN 0.486 nan 8.230 nan 0.000 0.447 152 Q N -0.220 119.585 119.800 0.008 0.000 2.269 152 Q HA 0.094 4.435 4.340 0.001 0.000 0.201 152 Q C 0.419 176.506 176.000 0.144 0.000 0.946 152 Q CA 0.725 56.566 55.803 0.064 0.000 0.877 152 Q CB 0.330 29.096 28.738 0.046 0.000 0.963 152 Q HN 0.329 nan 8.270 nan 0.000 0.472 153 E N 1.659 122.004 120.200 0.241 0.000 2.156 153 E HA 0.144 4.495 4.350 0.001 0.000 0.279 153 E C -1.694 175.160 176.600 0.422 0.000 0.965 153 E CA -2.127 54.473 56.400 0.334 0.000 0.789 153 E CB 1.684 31.669 29.700 0.475 0.000 1.098 153 E HN -0.066 nan 8.360 nan 0.000 0.397 154 P HA -0.213 nan 4.420 nan 0.000 0.219 154 P C 1.380 178.998 177.300 0.530 0.000 1.146 154 P CA 1.029 64.388 63.100 0.431 0.000 0.808 154 P CB 0.124 32.092 31.700 0.447 0.000 0.779 155 Y N 0.656 121.029 120.300 0.121 0.000 2.139 155 Y HA -0.246 4.305 4.550 0.001 0.000 0.282 155 Y C 2.045 178.015 175.900 0.118 0.000 1.179 155 Y CA 1.814 59.904 58.100 -0.017 0.000 1.161 155 Y CB -1.180 37.048 38.460 -0.387 0.000 0.970 155 Y HN -0.201 nan 8.280 nan 0.000 0.511 156 F N -0.990 119.189 119.950 0.382 0.000 2.367 156 F HA -0.058 4.470 4.527 0.001 0.000 0.298 156 F C 2.449 178.512 175.800 0.438 0.000 1.094 156 F CA 1.416 59.644 58.000 0.379 0.000 1.409 156 F CB -0.733 38.614 39.000 0.578 0.000 1.064 156 F HN 0.085 nan 8.300 nan 0.000 0.528 157 T N -3.725 111.194 114.554 0.608 0.000 3.037 157 T HA -0.133 4.217 4.350 0.001 0.000 0.251 157 T C 1.844 176.723 174.700 0.298 0.000 1.079 157 T CA -0.068 62.313 62.100 0.468 0.000 1.067 157 T CB -0.699 68.395 68.868 0.376 0.000 0.948 157 T HN 0.506 nan 8.240 nan 0.000 0.496 158 W N 2.913 124.333 121.300 0.199 0.000 2.342 158 W HA -0.064 4.597 4.660 0.001 0.000 0.297 158 W C -1.724 174.807 176.519 0.020 0.000 1.213 158 W CA 0.951 58.390 57.345 0.157 0.000 1.251 158 W CB -1.037 28.631 29.460 0.346 0.000 1.136 158 W HN 0.288 nan 8.180 nan 0.000 0.526 159 P HA -0.228 nan 4.420 nan 0.000 0.216 159 P C 1.759 178.889 177.300 -0.283 0.000 1.150 159 P CA 1.714 64.718 63.100 -0.160 0.000 0.843 159 P CB -0.431 31.258 31.700 -0.018 0.000 0.787 160 L N -1.357 119.668 121.223 -0.330 0.000 2.131 160 L HA 0.001 4.342 4.340 0.001 0.000 0.206 160 L C 2.101 178.607 176.870 -0.607 0.000 1.087 160 L CA 1.487 55.959 54.840 -0.612 0.000 0.767 160 L CB -0.972 40.507 42.059 -0.967 0.000 0.917 160 L HN -0.144 nan 8.230 nan 0.000 0.441 161 I N -0.127 120.120 120.570 -0.538 0.000 2.202 161 I HA -0.250 3.921 4.170 0.001 0.000 0.242 161 I C 2.538 178.271 176.117 -0.639 0.000 1.091 161 I CA 1.237 62.218 61.300 -0.531 0.000 1.368 161 I CB -0.595 37.137 38.000 -0.447 0.000 1.058 161 I HN 0.332 nan 8.210 nan 0.000 0.410 162 A N 0.656 122.877 122.820 -1.000 0.000 2.015 162 A HA -0.092 4.229 4.320 0.001 0.000 0.219 162 A C 2.538 179.902 177.584 -0.367 0.000 1.163 162 A CA 1.429 52.985 52.037 -0.803 0.000 0.646 162 A CB -0.724 17.641 19.000 -1.058 0.000 0.806 162 A HN 0.429 nan 8.150 nan 0.000 0.448 163 A N 0.115 122.753 122.820 -0.303 0.000 1.915 163 A HA -0.289 4.032 4.320 0.001 0.000 0.220 163 A C 1.701 179.270 177.584 -0.026 0.000 1.198 163 A CA 2.349 54.319 52.037 -0.111 0.000 0.647 163 A CB -0.569 18.409 19.000 -0.036 0.000 0.825 163 A HN 0.493 nan 8.150 nan 0.000 0.456 164 D N -3.106 117.307 120.400 0.021 0.000 2.427 164 D HA 0.393 5.033 4.640 0.001 0.000 0.224 164 D C 0.816 177.115 176.300 -0.001 0.000 1.157 164 D CA 1.019 55.032 54.000 0.022 0.000 0.828 164 D CB -0.013 40.830 40.800 0.071 0.000 0.974 164 D HN 0.508 nan 8.370 nan 0.000 0.498 165 G N -1.173 107.616 108.800 -0.017 0.000 2.813 165 G HA2 -0.080 3.880 3.960 0.001 0.000 0.194 165 G HA3 -0.080 3.880 3.960 0.001 0.000 0.194 165 G C 0.780 175.721 174.900 0.069 0.000 1.010 165 G CA -0.256 44.867 45.100 0.039 0.000 0.771 165 G HN 0.509 nan 8.290 nan 0.000 0.485 166 G N 0.483 109.239 108.800 -0.074 0.000 2.491 166 G HA2 0.621 4.582 3.960 0.001 0.000 0.238 166 G HA3 0.621 4.582 3.960 0.001 0.000 0.238 166 G C -0.258 174.682 174.900 0.067 0.000 1.277 166 G CA 0.798 45.826 45.100 -0.121 0.000 0.851 166 G HN 1.570 nan 8.290 nan 0.000 0.573 167 Y N -1.706 118.723 120.300 0.215 0.000 2.638 167 Y HA 0.721 5.271 4.550 0.001 0.000 0.335 167 Y C 0.563 176.616 175.900 0.254 0.000 1.155 167 Y CA -0.786 57.508 58.100 0.322 0.000 1.046 167 Y CB 0.749 39.300 38.460 0.152 0.000 1.303 167 Y HN 0.678 nan 8.280 nan 0.000 0.460 168 A N 1.118 124.001 122.820 0.106 0.000 1.908 168 A HA 0.422 4.743 4.320 0.001 0.000 0.217 168 A C -0.468 176.743 177.584 -0.622 0.000 1.378 168 A CA 0.828 52.363 52.037 -0.837 0.000 0.613 168 A CB -0.400 17.476 19.000 -1.873 0.000 1.053 168 A HN 0.528 nan 8.150 nan 0.000 0.484 169 F N -0.183 119.856 119.950 0.148 0.000 2.482 169 F HA 0.538 5.065 4.527 0.001 0.000 0.331 169 F C 0.097 176.143 175.800 0.410 0.000 1.115 169 F CA -1.275 56.890 58.000 0.275 0.000 0.955 169 F CB 1.489 40.563 39.000 0.124 0.000 1.136 169 F HN 0.128 nan 8.300 nan 0.000 0.452 170 K N 2.246 122.948 120.400 0.503 0.000 2.524 170 K HA -0.011 4.309 4.320 0.001 0.000 0.279 170 K C -1.530 175.211 176.600 0.235 0.000 0.993 170 K CA 0.340 56.717 56.287 0.150 0.000 1.030 170 K CB 0.105 32.672 32.500 0.112 0.000 0.891 170 K HN 0.603 nan 8.250 nan 0.000 0.488 171 Y N 2.968 123.245 120.300 -0.040 0.000 2.335 171 Y HA 0.402 4.953 4.550 0.001 0.000 0.338 171 Y C -0.884 174.924 175.900 -0.153 0.000 0.977 171 Y CA -0.597 57.396 58.100 -0.178 0.000 1.114 171 Y CB 1.263 39.564 38.460 -0.265 0.000 1.182 171 Y HN 0.816 nan 8.280 nan 0.000 0.463 172 E N 4.307 124.080 120.200 -0.712 0.000 2.363 172 E HA 0.205 4.556 4.350 0.001 0.000 0.281 172 E C -0.932 175.347 176.600 -0.535 0.000 0.953 172 E CA -0.709 55.401 56.400 -0.482 0.000 0.778 172 E CB 1.124 30.691 29.700 -0.222 0.000 1.220 172 E HN 0.687 nan 8.360 nan 0.000 0.431 173 N N 2.539 121.021 118.700 -0.363 0.000 2.714 173 N HA -0.235 4.505 4.740 0.001 0.000 0.252 173 N C 0.399 175.715 175.510 -0.323 0.000 1.014 173 N CA 2.146 55.042 53.050 -0.257 0.000 0.735 173 N CB -1.138 37.248 38.487 -0.169 0.000 0.924 173 N HN 0.978 nan 8.380 nan 0.000 0.540 174 G N -0.978 107.520 108.800 -0.503 0.000 2.179 174 G HA2 -0.349 3.612 3.960 0.001 0.000 0.257 174 G HA3 -0.349 3.612 3.960 0.001 0.000 0.257 174 G C -0.006 174.656 174.900 -0.397 0.000 1.010 174 G CA 0.984 45.877 45.100 -0.346 0.000 0.736 174 G HN 0.803 nan 8.290 nan 0.000 0.513 175 K N -1.176 118.778 120.400 -0.744 0.000 2.536 175 K HA 0.617 4.937 4.320 0.001 0.000 0.269 175 K C -1.223 175.128 176.600 -0.414 0.000 0.965 175 K CA -1.051 55.015 56.287 -0.368 0.000 0.860 175 K CB 1.279 33.672 32.500 -0.179 0.000 1.423 175 K HN -0.014 nan 8.250 nan 0.000 0.438 176 Y N 1.040 121.373 120.300 0.055 0.000 2.320 176 Y HA 0.162 4.713 4.550 0.001 0.000 0.334 176 Y C -0.029 175.894 175.900 0.039 0.000 1.055 176 Y CA -0.416 57.758 58.100 0.123 0.000 1.143 176 Y CB 1.311 39.870 38.460 0.165 0.000 1.193 176 Y HN 0.466 nan 8.280 nan 0.000 0.477 177 D N 4.834 125.372 120.400 0.230 0.000 2.456 177 D HA 0.070 4.711 4.640 0.001 0.000 0.219 177 D C 0.977 177.386 176.300 0.181 0.000 1.126 177 D CA -0.250 53.840 54.000 0.150 0.000 0.890 177 D CB 0.338 41.218 40.800 0.134 0.000 1.025 177 D HN 0.696 nan 8.370 nan 0.000 0.511 178 I N 0.191 120.772 120.570 0.019 0.000 3.164 178 I HA -0.068 4.102 4.170 0.001 0.000 0.278 178 I C 0.925 177.107 176.117 0.107 0.000 1.320 178 I CA 0.558 61.765 61.300 -0.155 0.000 1.422 178 I CB 0.089 37.886 38.000 -0.338 0.000 1.066 178 I HN -0.058 nan 8.210 nan 0.000 0.503 179 K N 0.475 120.973 120.400 0.162 0.000 2.370 179 K HA 0.134 4.455 4.320 0.001 0.000 0.194 179 K C 0.194 176.922 176.600 0.213 0.000 1.070 179 K CA 0.307 56.694 56.287 0.166 0.000 0.998 179 K CB -0.025 32.536 32.500 0.102 0.000 0.911 179 K HN 0.265 nan 8.250 nan 0.000 0.533 180 D N 2.102 122.659 120.400 0.262 0.000 2.517 180 D HA 0.075 4.716 4.640 0.001 0.000 0.220 180 D C -0.880 175.657 176.300 0.396 0.000 1.158 180 D CA -0.124 54.050 54.000 0.290 0.000 0.992 180 D CB 0.103 41.066 40.800 0.271 0.000 1.058 180 D HN -0.284 nan 8.370 nan 0.000 0.516 181 V N 2.279 122.347 119.914 0.256 0.000 2.509 181 V HA 0.510 4.631 4.120 0.001 0.000 0.284 181 V C 1.425 177.416 176.094 -0.171 0.000 1.047 181 V CA -0.499 61.859 62.300 0.097 0.000 0.952 181 V CB 1.835 33.710 31.823 0.086 0.000 0.988 181 V HN 0.574 nan 8.190 nan 0.000 0.469 182 G N 2.284 110.698 108.800 -0.643 0.000 3.936 182 G HA2 0.238 4.198 3.960 0.001 0.000 0.296 182 G HA3 0.238 4.198 3.960 0.001 0.000 0.296 182 G C 0.871 175.477 174.900 -0.489 0.000 1.121 182 G CA 0.548 44.887 45.100 -1.269 0.000 0.899 182 G HN 0.797 nan 8.290 nan 0.000 0.542 183 V N -1.675 118.153 119.914 -0.144 0.000 3.306 183 V HA 0.115 4.236 4.120 0.001 0.000 0.264 183 V C 1.022 177.118 176.094 0.004 0.000 1.149 183 V CA 1.387 63.719 62.300 0.052 0.000 1.143 183 V CB 0.248 32.151 31.823 0.134 0.000 0.767 183 V HN 0.301 nan 8.190 nan 0.000 0.476 184 D N 0.724 121.098 120.400 -0.042 0.000 2.623 184 D HA 0.100 4.740 4.640 0.001 0.000 0.252 184 D C 0.230 176.514 176.300 -0.026 0.000 1.294 184 D CA -0.291 53.697 54.000 -0.019 0.000 0.824 184 D CB -0.663 40.136 40.800 -0.002 0.000 1.070 184 D HN 0.660 nan 8.370 nan 0.000 0.487 185 N N 0.208 118.877 118.700 -0.053 0.000 2.364 185 N HA 0.330 5.070 4.740 0.001 0.000 0.264 185 N C 1.430 176.937 175.510 -0.005 0.000 1.263 185 N CA -0.008 53.027 53.050 -0.025 0.000 0.959 185 N CB 0.360 38.832 38.487 -0.025 0.000 1.204 185 N HN -0.094 nan 8.380 nan 0.000 0.550 186 A N -0.445 122.382 122.820 0.011 0.000 1.908 186 A HA -0.052 4.268 4.320 0.001 0.000 0.218 186 A C 2.061 179.657 177.584 0.019 0.000 1.181 186 A CA 2.135 54.182 52.037 0.017 0.000 0.627 186 A CB -1.804 17.207 19.000 0.018 0.000 0.818 186 A HN 0.804 nan 8.150 nan 0.000 0.445 187 G N -0.573 108.235 108.800 0.014 0.000 2.480 187 G HA2 -0.035 3.926 3.960 0.001 0.000 0.216 187 G HA3 -0.035 3.926 3.960 0.001 0.000 0.216 187 G C 1.809 176.700 174.900 -0.014 0.000 1.200 187 G CA 1.703 46.811 45.100 0.013 0.000 0.782 187 G HN 0.891 nan 8.290 nan 0.000 0.554 188 A N 0.666 123.452 122.820 -0.057 0.000 1.940 188 A HA -0.041 4.280 4.320 0.001 0.000 0.219 188 A C 2.319 179.874 177.584 -0.047 0.000 1.176 188 A CA 2.068 54.049 52.037 -0.094 0.000 0.631 188 A CB -0.354 18.605 19.000 -0.069 0.000 0.814 188 A HN 0.415 nan 8.150 nan 0.000 0.446 189 K N -0.405 119.990 120.400 -0.009 0.000 2.057 189 K HA -0.028 4.293 4.320 0.001 0.000 0.206 189 K C 2.302 178.926 176.600 0.040 0.000 1.050 189 K CA 1.060 57.355 56.287 0.013 0.000 0.935 189 K CB -0.309 32.203 32.500 0.021 0.000 0.715 189 K HN 0.439 nan 8.250 nan 0.000 0.439 190 A N 1.237 124.104 122.820 0.079 0.000 1.933 190 A HA -0.076 4.245 4.320 0.001 0.000 0.218 190 A C 2.365 180.067 177.584 0.198 0.000 1.175 190 A CA 1.880 54.032 52.037 0.191 0.000 0.628 190 A CB -0.997 18.140 19.000 0.228 0.000 0.814 190 A HN 0.424 nan 8.150 nan 0.000 0.444 191 G N -0.324 108.466 108.800 -0.017 0.000 2.404 191 G HA2 -0.058 3.903 3.960 0.001 0.000 0.214 191 G HA3 -0.058 3.903 3.960 0.001 0.000 0.214 191 G C 1.453 176.178 174.900 -0.293 0.000 1.189 191 G CA 1.031 45.869 45.100 -0.436 0.000 0.789 191 G HN 0.451 nan 8.290 nan 0.000 0.533 192 L N 1.087 122.223 121.223 -0.145 0.000 2.083 192 L HA 0.011 4.352 4.340 0.001 0.000 0.209 192 L C 2.824 179.672 176.870 -0.037 0.000 1.083 192 L CA 2.379 57.173 54.840 -0.078 0.000 0.752 192 L CB -0.978 41.064 42.059 -0.029 0.000 0.899 192 L HN 0.177 nan 8.230 nan 0.000 0.433 193 T N -0.765 113.791 114.554 0.004 0.000 2.708 193 T HA -0.218 4.132 4.350 0.001 0.000 0.266 193 T C 1.624 176.348 174.700 0.040 0.000 1.037 193 T CA 1.811 63.932 62.100 0.035 0.000 1.146 193 T CB -0.496 68.418 68.868 0.077 0.000 0.865 193 T HN 0.395 nan 8.240 nan 0.000 0.435 194 F N 1.500 121.406 119.950 -0.074 0.000 2.126 194 F HA -0.077 4.450 4.527 0.001 0.000 0.299 194 F C 1.954 177.704 175.800 -0.084 0.000 1.096 194 F CA 0.844 58.804 58.000 -0.066 0.000 1.255 194 F CB -0.505 38.369 39.000 -0.210 0.000 0.997 194 F HN 0.048 nan 8.300 nan 0.000 0.479 195 L N 0.042 121.230 121.223 -0.059 0.000 1.970 195 L HA -0.184 4.156 4.340 0.001 0.000 0.212 195 L C 2.314 179.133 176.870 -0.085 0.000 1.071 195 L CA 1.923 56.724 54.840 -0.066 0.000 0.751 195 L CB -1.188 40.841 42.059 -0.049 0.000 0.889 195 L HN 0.049 nan 8.230 nan 0.000 0.432 196 V N 0.253 120.128 119.914 -0.065 0.000 2.324 196 V HA -0.342 3.778 4.120 0.001 0.000 0.250 196 V C 2.336 178.380 176.094 -0.083 0.000 1.060 196 V CA 2.037 64.304 62.300 -0.055 0.000 1.042 196 V CB -0.968 30.835 31.823 -0.032 0.000 0.650 196 V HN 0.505 nan 8.190 nan 0.000 0.450 197 D N -0.038 120.287 120.400 -0.125 0.000 2.123 197 D HA -0.142 4.499 4.640 0.001 0.000 0.196 197 D C 2.176 178.385 176.300 -0.152 0.000 0.992 197 D CA 1.148 55.062 54.000 -0.143 0.000 0.833 197 D CB -0.273 40.414 40.800 -0.188 0.000 0.954 197 D HN 0.354 nan 8.370 nan 0.000 0.455 198 L N 0.557 121.656 121.223 -0.206 0.000 2.013 198 L HA -0.192 4.148 4.340 0.001 0.000 0.212 198 L C 2.554 179.410 176.870 -0.023 0.000 1.073 198 L CA 0.925 55.729 54.840 -0.060 0.000 0.753 198 L CB -0.336 41.714 42.059 -0.015 0.000 0.890 198 L HN 0.050 nan 8.230 nan 0.000 0.432 199 I N -0.729 119.814 120.570 -0.045 0.000 2.286 199 I HA -0.252 3.918 4.170 0.001 0.000 0.248 199 I C 2.517 178.592 176.117 -0.071 0.000 1.115 199 I CA 0.912 62.184 61.300 -0.047 0.000 1.392 199 I CB -0.316 37.658 38.000 -0.043 0.000 1.065 199 I HN 0.213 nan 8.210 nan 0.000 0.418 200 K N 0.771 121.126 120.400 -0.076 0.000 2.025 200 K HA -0.073 4.247 4.320 0.001 0.000 0.207 200 K C 1.341 177.874 176.600 -0.111 0.000 1.049 200 K CA 1.149 57.390 56.287 -0.077 0.000 0.933 200 K CB -0.786 31.678 32.500 -0.061 0.000 0.714 200 K HN 0.293 nan 8.250 nan 0.000 0.438 201 N N 1.782 120.390 118.700 -0.154 0.000 2.421 201 N HA -0.022 4.719 4.740 0.001 0.000 0.201 201 N C -0.568 174.665 175.510 -0.461 0.000 1.198 201 N CA 0.124 53.015 53.050 -0.264 0.000 0.838 201 N CB 0.047 38.393 38.487 -0.235 0.000 1.011 201 N HN 0.186 nan 8.380 nan 0.000 0.463 202 K N 0.213 120.451 120.400 -0.270 0.000 3.156 202 K HA -0.199 4.122 4.320 0.001 0.000 0.266 202 K C -0.190 176.275 176.600 -0.225 0.000 0.966 202 K CA 0.389 56.551 56.287 -0.207 0.000 0.719 202 K CB -1.138 31.271 32.500 -0.151 0.000 1.333 202 K HN 0.461 nan 8.250 nan 0.000 0.468 203 H N -0.840 118.230 119.070 -0.000 0.000 2.575 203 H HA 0.189 4.746 4.556 0.001 0.000 0.267 203 H C 0.829 176.180 175.328 0.038 0.000 0.966 203 H CA 1.121 57.183 56.048 0.024 0.000 1.165 203 H CB 0.253 30.034 29.762 0.032 0.000 1.433 203 H HN 0.534 nan 8.280 nan 0.000 0.544 204 M N -0.895 118.763 119.600 0.095 0.000 2.569 204 M HA 0.327 4.808 4.480 0.001 0.000 0.287 204 M C -2.025 174.273 176.300 -0.003 0.000 1.130 204 M CA -0.896 54.436 55.300 0.054 0.000 0.885 204 M CB 1.808 34.455 32.600 0.077 0.000 1.759 204 M HN -0.313 nan 8.290 nan 0.000 0.515 205 N N 1.280 119.967 118.700 -0.022 0.000 2.498 205 N HA 0.540 5.280 4.740 0.001 0.000 0.287 205 N C 0.662 176.138 175.510 -0.057 0.000 1.097 205 N CA -0.002 53.027 53.050 -0.036 0.000 0.973 205 N CB 1.772 40.242 38.487 -0.029 0.000 1.153 205 N HN 0.876 nan 8.380 nan 0.000 0.472 206 A N 0.694 123.485 122.820 -0.049 0.000 2.172 206 A HA -0.162 4.158 4.320 0.001 0.000 0.216 206 A C 1.069 178.623 177.584 -0.051 0.000 1.154 206 A CA 1.285 53.291 52.037 -0.052 0.000 0.701 206 A CB -0.329 18.649 19.000 -0.036 0.000 0.789 206 A HN 0.736 nan 8.150 nan 0.000 0.465 207 D N -1.633 118.740 120.400 -0.045 0.000 2.369 207 D HA 0.029 4.670 4.640 0.001 0.000 0.211 207 D C -0.032 176.241 176.300 -0.046 0.000 1.077 207 D CA 0.199 54.177 54.000 -0.036 0.000 0.842 207 D CB -0.961 39.825 40.800 -0.023 0.000 0.947 207 D HN 0.059 nan 8.370 nan 0.000 0.509 208 T N 2.437 116.948 114.554 -0.073 0.000 2.784 208 T HA 0.211 4.561 4.350 0.001 0.000 0.291 208 T C 0.044 174.681 174.700 -0.104 0.000 0.942 208 T CA -0.047 62.001 62.100 -0.088 0.000 1.161 208 T CB 0.697 69.491 68.868 -0.123 0.000 0.885 208 T HN 0.363 nan 8.240 nan 0.000 0.534 209 D N 2.001 122.363 120.400 -0.064 0.000 2.589 209 D HA 0.125 4.766 4.640 0.001 0.000 0.268 209 D C 1.168 177.437 176.300 -0.051 0.000 1.182 209 D CA -0.815 53.159 54.000 -0.042 0.000 1.087 209 D CB -0.009 40.799 40.800 0.013 0.000 1.186 209 D HN 0.324 nan 8.370 nan 0.000 0.620 210 Y N 0.267 120.499 120.300 -0.112 0.000 2.133 210 Y HA -0.156 4.395 4.550 0.001 0.000 0.287 210 Y C 2.738 178.617 175.900 -0.035 0.000 1.134 210 Y CA 3.067 61.101 58.100 -0.110 0.000 1.133 210 Y CB -0.401 38.018 38.460 -0.069 0.000 0.987 210 Y HN 0.426 nan 8.280 nan 0.000 0.502 211 S N -0.083 115.750 115.700 0.222 0.000 2.368 211 S HA -0.197 4.274 4.470 0.001 0.000 0.224 211 S C 2.037 176.665 174.600 0.047 0.000 1.029 211 S CA 1.508 59.799 58.200 0.153 0.000 0.988 211 S CB -1.081 62.199 63.200 0.134 0.000 0.838 211 S HN 0.516 nan 8.310 nan 0.000 0.462 212 I N 2.419 123.002 120.570 0.021 0.000 2.127 212 I HA -0.191 3.980 4.170 0.001 0.000 0.241 212 I C 3.150 179.261 176.117 -0.011 0.000 1.075 212 I CA 1.411 62.714 61.300 0.004 0.000 1.334 212 I CB -0.775 37.221 38.000 -0.007 0.000 1.040 212 I HN 0.465 nan 8.210 nan 0.000 0.405 213 A N 0.055 122.842 122.820 -0.055 0.000 1.933 213 A HA -0.257 4.064 4.320 0.001 0.000 0.218 213 A C 2.313 179.874 177.584 -0.038 0.000 1.175 213 A CA 1.879 53.884 52.037 -0.053 0.000 0.628 213 A CB -0.621 18.312 19.000 -0.112 0.000 0.814 213 A HN 0.525 nan 8.150 nan 0.000 0.444 214 E N -0.119 120.014 120.200 -0.112 0.000 2.072 214 E HA -0.092 4.258 4.350 0.001 0.000 0.191 214 E C 2.144 178.779 176.600 0.058 0.000 0.985 214 E CA 0.965 57.332 56.400 -0.054 0.000 0.801 214 E CB -0.250 29.395 29.700 -0.091 0.000 0.750 214 E HN 0.521 nan 8.360 nan 0.000 0.452 215 A N 1.387 124.234 122.820 0.045 0.000 1.877 215 A HA -0.112 4.209 4.320 0.001 0.000 0.216 215 A C 2.449 180.062 177.584 0.048 0.000 1.186 215 A CA 1.897 53.962 52.037 0.047 0.000 0.620 215 A CB -0.941 18.081 19.000 0.037 0.000 0.822 215 A HN 0.420 nan 8.150 nan 0.000 0.443 216 A N -1.374 121.478 122.820 0.054 0.000 1.908 216 A HA -0.116 4.204 4.320 0.001 0.000 0.218 216 A C 2.080 179.710 177.584 0.077 0.000 1.181 216 A CA 1.812 53.883 52.037 0.057 0.000 0.627 216 A CB -0.698 18.341 19.000 0.065 0.000 0.818 216 A HN 0.698 nan 8.150 nan 0.000 0.445 217 F N 0.970 120.908 119.950 -0.021 0.000 2.163 217 F HA -0.069 4.459 4.527 0.001 0.000 0.297 217 F C 1.995 177.777 175.800 -0.031 0.000 1.094 217 F CA 1.817 59.803 58.000 -0.022 0.000 1.290 217 F CB -0.402 38.577 39.000 -0.036 0.000 1.017 217 F HN 0.300 nan 8.300 nan 0.000 0.483 218 N N -0.048 118.670 118.700 0.031 0.000 2.309 218 N HA -0.129 4.611 4.740 0.001 0.000 0.182 218 N C 1.131 176.578 175.510 -0.105 0.000 1.018 218 N CA 0.650 53.667 53.050 -0.055 0.000 0.876 218 N CB -0.119 38.391 38.487 0.039 0.000 0.972 218 N HN 0.284 nan 8.380 nan 0.000 0.434 219 K N 0.373 120.729 120.400 -0.074 0.000 2.505 219 K HA 0.070 4.390 4.320 0.001 0.000 0.192 219 K C 0.815 177.355 176.600 -0.101 0.000 1.025 219 K CA 0.084 56.332 56.287 -0.064 0.000 1.086 219 K CB 0.380 32.863 32.500 -0.027 0.000 0.840 219 K HN 0.207 nan 8.250 nan 0.000 0.514 220 G N 1.940 110.626 108.800 -0.190 0.000 2.166 220 G HA2 -0.327 3.634 3.960 0.001 0.000 0.260 220 G HA3 -0.327 3.634 3.960 0.001 0.000 0.260 220 G C 0.551 175.377 174.900 -0.124 0.000 0.986 220 G CA 0.794 45.769 45.100 -0.209 0.000 0.683 220 G HN 0.513 nan 8.290 nan 0.000 0.527 221 E N -0.905 119.250 120.200 -0.075 0.000 2.216 221 E HA 0.089 4.440 4.350 0.001 0.000 0.192 221 E C 1.198 177.805 176.600 0.010 0.000 0.988 221 E CA 1.069 57.456 56.400 -0.021 0.000 0.834 221 E CB 0.252 29.951 29.700 -0.000 0.000 0.772 221 E HN 0.367 nan 8.360 nan 0.000 0.479 222 T N -1.199 113.376 114.554 0.035 0.000 2.863 222 T HA 0.474 4.825 4.350 0.001 0.000 0.285 222 T C 0.499 175.299 174.700 0.167 0.000 1.009 222 T CA -0.177 61.992 62.100 0.114 0.000 0.989 222 T CB 1.691 70.662 68.868 0.173 0.000 1.004 222 T HN 0.015 nan 8.240 nan 0.000 0.455 223 A N 4.742 127.664 122.820 0.170 0.000 1.968 223 A HA 0.327 4.648 4.320 0.001 0.000 0.217 223 A C 0.852 178.682 177.584 0.410 0.000 1.169 223 A CA 0.952 53.119 52.037 0.216 0.000 0.638 223 A CB -0.252 18.833 19.000 0.141 0.000 0.812 223 A HN 0.764 nan 8.150 nan 0.000 0.446 224 M N -2.051 117.743 119.600 0.324 0.000 2.593 224 M HA 0.519 4.999 4.480 0.001 0.000 0.290 224 M C -0.494 175.834 176.300 0.047 0.000 1.244 224 M CA -0.297 55.121 55.300 0.196 0.000 0.857 224 M CB 2.487 35.123 32.600 0.060 0.000 1.738 224 M HN 0.084 nan 8.290 nan 0.000 0.461 225 T N 0.872 115.293 114.554 -0.223 0.000 2.787 225 T HA 0.806 5.156 4.350 0.001 0.000 0.297 225 T C -1.970 172.610 174.700 -0.201 0.000 1.221 225 T CA -0.579 61.392 62.100 -0.215 0.000 1.006 225 T CB 1.477 70.071 68.868 -0.457 0.000 1.328 225 T HN 0.613 nan 8.240 nan 0.000 0.509 226 I N 3.371 123.889 120.570 -0.087 0.000 2.447 226 I HA 0.548 4.719 4.170 0.001 0.000 0.287 226 I C -0.381 175.818 176.117 0.136 0.000 1.023 226 I CA -0.759 60.509 61.300 -0.054 0.000 1.083 226 I CB 1.808 39.682 38.000 -0.210 0.000 1.245 226 I HN 0.529 nan 8.210 nan 0.000 0.434 227 N N 2.857 121.595 118.700 0.062 0.000 3.179 227 N HA 0.512 5.252 4.740 0.001 0.000 0.250 227 N C -0.825 174.549 175.510 -0.227 0.000 1.507 227 N CA -0.334 52.773 53.050 0.096 0.000 0.883 227 N CB 2.364 40.843 38.487 -0.013 0.000 1.435 227 N HN 0.637 nan 8.380 nan 0.000 0.532 228 G N 0.098 108.427 108.800 -0.784 0.000 2.531 228 G HA2 0.426 4.387 3.960 0.001 0.000 0.313 228 G HA3 0.426 4.387 3.960 0.001 0.000 0.313 228 G C -1.863 172.052 174.900 -1.642 0.000 1.238 228 G CA -0.996 43.215 45.100 -1.481 0.000 0.994 228 G HN 0.355 nan 8.290 nan 0.000 0.493 229 P HA -0.100 nan 4.420 nan 0.000 0.218 229 P C 1.275 177.753 177.300 -1.370 0.000 1.148 229 P CA 1.481 63.289 63.100 -2.153 0.000 0.822 229 P CB 0.002 30.862 31.700 -1.401 0.000 0.784 230 W N -0.672 120.325 121.300 -0.505 0.000 2.538 230 W HA 0.142 4.803 4.660 0.001 0.000 0.254 230 W C 1.665 178.106 176.519 -0.130 0.000 1.249 230 W CA 0.740 57.936 57.345 -0.248 0.000 1.253 230 W CB -1.726 27.645 29.460 -0.148 0.000 1.130 230 W HN -0.133 nan 8.180 nan 0.000 0.618 231 A N -0.168 122.423 122.820 -0.380 0.000 2.147 231 A HA 0.087 4.408 4.320 0.001 0.000 0.211 231 A C 1.477 179.100 177.584 0.064 0.000 1.160 231 A CA 0.498 52.506 52.037 -0.047 0.000 0.781 231 A CB -1.106 17.834 19.000 -0.099 0.000 0.842 231 A HN 0.370 nan 8.150 nan 0.000 0.475 232 W N 1.067 122.309 121.300 -0.097 0.000 2.364 232 W HA -0.095 4.565 4.660 0.001 0.000 0.281 232 W C 2.273 178.784 176.519 -0.013 0.000 1.219 232 W CA 0.704 58.007 57.345 -0.070 0.000 1.220 232 W CB -1.523 27.971 29.460 0.056 0.000 1.127 232 W HN 0.327 nan 8.180 nan 0.000 0.556 233 S N 0.650 116.485 115.700 0.225 0.000 2.335 233 S HA -0.178 4.292 4.470 0.001 0.000 0.216 233 S C 1.716 176.380 174.600 0.106 0.000 1.032 233 S CA 1.448 59.742 58.200 0.155 0.000 1.000 233 S CB -0.611 62.657 63.200 0.112 0.000 0.928 233 S HN 0.199 nan 8.310 nan 0.000 0.434 234 N N 1.705 120.460 118.700 0.091 0.000 2.137 234 N HA -0.062 4.679 4.740 0.001 0.000 0.190 234 N C 1.582 177.118 175.510 0.044 0.000 1.017 234 N CA 1.089 54.182 53.050 0.071 0.000 0.859 234 N CB -0.547 37.995 38.487 0.091 0.000 1.002 234 N HN 0.452 nan 8.380 nan 0.000 0.428 235 I N 0.364 120.933 120.570 -0.002 0.000 2.546 235 I HA -0.164 4.006 4.170 0.001 0.000 0.255 235 I C 1.484 177.592 176.117 -0.014 0.000 1.163 235 I CA 0.776 62.022 61.300 -0.090 0.000 1.457 235 I CB -0.211 37.541 38.000 -0.412 0.000 1.092 235 I HN -0.069 nan 8.210 nan 0.000 0.434 236 D N 1.051 121.493 120.400 0.071 0.000 2.097 236 D HA -0.159 4.482 4.640 0.001 0.000 0.195 236 D C 2.368 178.725 176.300 0.095 0.000 0.989 236 D CA 2.217 56.311 54.000 0.157 0.000 0.827 236 D CB -0.262 40.638 40.800 0.167 0.000 0.966 236 D HN 0.362 nan 8.370 nan 0.000 0.456 237 T N -2.196 112.399 114.554 0.069 0.000 3.072 237 T HA 0.004 4.355 4.350 0.001 0.000 0.266 237 T C 1.794 176.515 174.700 0.035 0.000 1.127 237 T CA 0.776 62.906 62.100 0.049 0.000 1.107 237 T CB -0.073 68.821 68.868 0.044 0.000 0.910 237 T HN -0.153 nan 8.240 nan 0.000 0.513 238 S N 0.872 116.590 115.700 0.030 0.000 2.558 238 S HA 0.556 5.027 4.470 0.001 0.000 0.217 238 S C 1.723 176.324 174.600 0.002 0.000 0.975 238 S CA 0.359 58.564 58.200 0.008 0.000 0.912 238 S CB -0.245 62.950 63.200 -0.008 0.000 0.776 238 S HN 1.017 nan 8.310 nan 0.000 0.526 239 A N 0.400 123.236 122.820 0.026 0.000 3.153 239 A HA -0.168 4.153 4.320 0.001 0.000 0.265 239 A C 0.572 178.165 177.584 0.015 0.000 1.212 239 A CA 0.655 52.706 52.037 0.023 0.000 1.018 239 A CB -2.396 16.607 19.000 0.005 0.000 1.130 239 A HN 0.344 nan 8.150 nan 0.000 0.873 240 V N 1.001 120.921 119.914 0.010 0.000 2.740 240 V HA 0.221 4.341 4.120 0.001 0.000 0.303 240 V C 0.933 177.081 176.094 0.089 0.000 1.054 240 V CA 0.614 62.900 62.300 -0.024 0.000 1.106 240 V CB 1.149 32.883 31.823 -0.148 0.000 0.957 240 V HN 0.624 nan 8.190 nan 0.000 0.486 241 N N 3.895 122.602 118.700 0.013 0.000 2.767 241 N HA 0.229 4.970 4.740 0.001 0.000 0.238 241 N C -0.732 174.755 175.510 -0.037 0.000 1.083 241 N CA -0.462 52.575 53.050 -0.021 0.000 0.964 241 N CB -0.017 38.429 38.487 -0.069 0.000 1.252 241 N HN 0.571 nan 8.380 nan 0.000 0.512 242 Y N 0.405 120.610 120.300 -0.159 0.000 2.545 242 Y HA 0.919 5.469 4.550 0.001 0.000 0.324 242 Y C 0.485 176.145 175.900 -0.401 0.000 1.220 242 Y CA -1.504 56.465 58.100 -0.219 0.000 1.290 242 Y CB 0.537 39.009 38.460 0.021 0.000 1.355 242 Y HN 0.223 nan 8.280 nan 0.000 0.516 243 G N -0.430 108.031 108.800 -0.565 0.000 2.660 243 G HA2 0.568 4.529 3.960 0.001 0.000 0.294 243 G HA3 0.568 4.529 3.960 0.001 0.000 0.294 243 G C -2.298 172.520 174.900 -0.137 0.000 1.369 243 G CA -1.067 43.675 45.100 -0.596 0.000 0.912 243 G HN 0.671 nan 8.290 nan 0.000 0.479 244 V N 0.802 120.699 119.914 -0.028 0.000 2.409 244 V HA 0.701 4.821 4.120 0.001 0.000 0.290 244 V C 0.138 176.287 176.094 0.091 0.000 1.017 244 V CA -0.436 61.893 62.300 0.049 0.000 0.841 244 V CB 1.061 32.815 31.823 -0.114 0.000 1.003 244 V HN 0.907 nan 8.190 nan 0.000 0.426 245 T N 3.048 117.678 114.554 0.127 0.000 2.831 245 T HA 0.611 4.961 4.350 0.001 0.000 0.287 245 T C -0.385 174.305 174.700 -0.016 0.000 1.070 245 T CA -0.398 61.726 62.100 0.039 0.000 1.010 245 T CB 1.911 70.774 68.868 -0.009 0.000 1.264 245 T HN 0.313 nan 8.240 nan 0.000 0.532 246 V N 3.274 123.161 119.914 -0.045 0.000 2.720 246 V HA 0.111 4.231 4.120 0.001 0.000 0.307 246 V C 0.913 176.955 176.094 -0.086 0.000 1.071 246 V CA 0.173 62.441 62.300 -0.053 0.000 1.199 246 V CB -0.365 31.423 31.823 -0.059 0.000 0.900 246 V HN 0.653 nan 8.190 nan 0.000 0.494 247 L N 6.126 127.307 121.223 -0.070 0.000 2.476 247 L HA 0.229 4.570 4.340 0.001 0.000 0.264 247 L C -1.957 174.829 176.870 -0.138 0.000 1.224 247 L CA -1.226 53.549 54.840 -0.108 0.000 0.821 247 L CB 0.100 42.143 42.059 -0.027 0.000 1.101 247 L HN 0.482 nan 8.230 nan 0.000 0.488 248 P HA 0.120 nan 4.420 nan 0.000 0.274 248 P C -0.788 176.518 177.300 0.010 0.000 1.237 248 P CA -0.465 62.447 63.100 -0.313 0.000 0.793 248 P CB 0.641 31.846 31.700 -0.825 0.000 0.977 249 T N -1.610 112.989 114.554 0.075 0.000 2.902 249 T HA 0.615 4.965 4.350 0.001 0.000 0.280 249 T C -0.910 174.022 174.700 0.386 0.000 0.992 249 T CA -0.436 61.775 62.100 0.186 0.000 1.015 249 T CB 0.400 69.301 68.868 0.055 0.000 1.044 249 T HN 0.194 nan 8.240 nan 0.000 0.520 250 F N 1.139 121.125 119.950 0.061 0.000 2.539 250 F HA 0.511 5.038 4.527 0.001 0.000 0.318 250 F C 0.359 176.086 175.800 -0.121 0.000 1.135 250 F CA -1.422 56.521 58.000 -0.094 0.000 0.915 250 F CB 1.379 40.205 39.000 -0.290 0.000 1.176 250 F HN 0.898 nan 8.300 nan 0.000 0.440 251 K N 4.523 124.508 120.400 -0.692 0.000 3.071 251 K HA -0.200 4.121 4.320 0.001 0.000 0.262 251 K C 0.979 177.416 176.600 -0.271 0.000 0.977 251 K CA 0.930 56.875 56.287 -0.570 0.000 0.721 251 K CB -1.555 30.469 32.500 -0.793 0.000 1.293 251 K HN 1.409 nan 8.250 nan 0.000 0.475 252 G N -0.851 107.852 108.800 -0.162 0.000 2.212 252 G HA2 -0.339 3.621 3.960 0.001 0.000 0.266 252 G HA3 -0.339 3.621 3.960 0.001 0.000 0.266 252 G C -0.065 174.800 174.900 -0.058 0.000 0.978 252 G CA 0.745 45.791 45.100 -0.091 0.000 0.632 252 G HN 0.343 nan 8.290 nan 0.000 0.537 253 Q N 1.002 120.771 119.800 -0.052 0.000 2.222 253 Q HA 0.494 4.834 4.340 0.001 0.000 0.252 253 Q C -2.452 173.563 176.000 0.025 0.000 0.926 253 Q CA -2.079 53.711 55.803 -0.021 0.000 0.899 253 Q CB 2.072 30.794 28.738 -0.027 0.000 1.250 253 Q HN 0.348 nan 8.270 nan 0.000 0.441 254 P HA 0.087 nan 4.420 nan 0.000 0.278 254 P C -0.504 176.819 177.300 0.039 0.000 1.238 254 P CA -0.220 62.898 63.100 0.031 0.000 0.794 254 P CB 0.786 32.487 31.700 0.001 0.000 0.955 255 S N 1.933 117.682 115.700 0.083 0.000 2.560 255 S HA 0.079 4.550 4.470 0.001 0.000 0.284 255 S C 0.369 174.959 174.600 -0.017 0.000 1.327 255 S CA -0.075 58.158 58.200 0.055 0.000 1.055 255 S CB -0.148 63.154 63.200 0.171 0.000 0.868 255 S HN 0.293 nan 8.310 nan 0.000 0.506 256 K N 3.697 124.042 120.400 -0.091 0.000 2.484 256 K HA 0.291 4.611 4.320 0.001 0.000 0.226 256 K C -2.586 173.968 176.600 -0.077 0.000 1.031 256 K CA -1.713 54.520 56.287 -0.090 0.000 1.026 256 K CB 1.091 33.514 32.500 -0.128 0.000 1.412 256 K HN 0.403 nan 8.250 nan 0.000 0.492 257 P HA 0.085 nan 4.420 nan 0.000 0.274 257 P C -0.659 176.758 177.300 0.194 0.000 1.231 257 P CA -0.414 62.731 63.100 0.075 0.000 0.790 257 P CB 0.635 32.334 31.700 -0.002 0.000 0.951 258 F N 1.128 121.264 119.950 0.309 0.000 2.438 258 F HA 0.118 4.646 4.527 0.001 0.000 0.356 258 F C 0.465 176.440 175.800 0.293 0.000 1.099 258 F CA -0.421 57.778 58.000 0.332 0.000 1.185 258 F CB 0.565 39.813 39.000 0.414 0.000 1.115 258 F HN -0.025 nan 8.300 nan 0.000 0.526 259 V N 4.708 124.951 119.914 0.548 0.000 2.406 259 V HA 0.524 4.645 4.120 0.001 0.000 0.272 259 V C 0.621 176.995 176.094 0.467 0.000 1.043 259 V CA -0.653 61.895 62.300 0.413 0.000 0.915 259 V CB 0.719 32.717 31.823 0.293 0.000 0.988 259 V HN 0.860 nan 8.190 nan 0.000 0.466 260 G N 3.221 112.279 108.800 0.429 0.000 2.410 260 G HA2 0.584 4.544 3.960 0.001 0.000 0.330 260 G HA3 0.584 4.544 3.960 0.001 0.000 0.330 260 G C -1.038 174.063 174.900 0.334 0.000 1.142 260 G CA -0.497 44.841 45.100 0.397 0.000 0.902 260 G HN 0.544 nan 8.290 nan 0.000 0.491 261 V N 2.627 122.792 119.914 0.418 0.000 2.349 261 V HA 0.184 4.304 4.120 0.001 0.000 0.284 261 V C -0.033 176.138 176.094 0.127 0.000 1.014 261 V CA -0.734 61.661 62.300 0.159 0.000 0.826 261 V CB 1.090 32.865 31.823 -0.080 0.000 1.009 261 V HN 0.730 nan 8.190 nan 0.000 0.431 262 L N 5.744 127.010 121.223 0.071 0.000 2.559 262 L HA 0.299 4.640 4.340 0.001 0.000 0.274 262 L C 0.314 177.196 176.870 0.020 0.000 1.205 262 L CA 1.366 56.240 54.840 0.056 0.000 0.907 262 L CB 0.399 42.504 42.059 0.077 0.000 1.153 262 L HN 0.728 nan 8.230 nan 0.000 0.490 263 S N 3.192 118.879 115.700 -0.021 0.000 2.595 263 S HA 0.899 5.369 4.470 0.001 0.000 0.281 263 S C -0.922 173.448 174.600 -0.383 0.000 1.117 263 S CA -0.338 57.707 58.200 -0.259 0.000 0.873 263 S CB 1.837 64.710 63.200 -0.544 0.000 1.108 263 S HN 0.932 nan 8.310 nan 0.000 0.477 264 A N 1.123 123.657 122.820 -0.477 0.000 2.311 264 A HA 0.808 5.129 4.320 0.001 0.000 0.306 264 A C 0.141 177.612 177.584 -0.189 0.000 1.189 264 A CA -0.560 51.102 52.037 -0.625 0.000 0.791 264 A CB 0.577 19.015 19.000 -0.936 0.000 1.172 264 A HN 0.939 nan 8.150 nan 0.000 0.481 265 G N 1.072 109.877 108.800 0.009 0.000 2.441 265 G HA2 0.611 4.572 3.960 0.001 0.000 0.334 265 G HA3 0.611 4.572 3.960 0.001 0.000 0.334 265 G C -0.620 174.344 174.900 0.107 0.000 1.161 265 G CA -0.666 44.535 45.100 0.169 0.000 0.935 265 G HN 0.680 nan 8.290 nan 0.000 0.488 266 I N 1.392 122.046 120.570 0.139 0.000 2.377 266 I HA 0.159 4.329 4.170 0.001 0.000 0.293 266 I C -0.027 176.166 176.117 0.127 0.000 0.987 266 I CA -1.002 60.363 61.300 0.109 0.000 1.185 266 I CB 1.721 39.793 38.000 0.120 0.000 1.341 266 I HN 0.339 nan 8.210 nan 0.000 0.455 267 N N 4.169 122.937 118.700 0.113 0.000 2.447 267 N HA 0.018 4.759 4.740 0.001 0.000 0.263 267 N C 0.862 176.413 175.510 0.069 0.000 1.226 267 N CA 0.325 53.455 53.050 0.133 0.000 0.906 267 N CB 1.538 40.056 38.487 0.053 0.000 1.060 267 N HN 0.812 nan 8.380 nan 0.000 0.468 268 A N 4.154 127.013 122.820 0.066 0.000 1.978 268 A HA -0.127 4.193 4.320 0.001 0.000 0.220 268 A C 1.943 179.529 177.584 0.004 0.000 1.170 268 A CA 1.987 54.047 52.037 0.038 0.000 0.636 268 A CB -0.544 18.476 19.000 0.033 0.000 0.810 268 A HN 0.769 nan 8.150 nan 0.000 0.448 269 A N -0.845 121.958 122.820 -0.028 0.000 2.123 269 A HA 0.282 4.603 4.320 0.001 0.000 0.214 269 A C 1.513 179.076 177.584 -0.036 0.000 1.152 269 A CA 0.815 52.825 52.037 -0.044 0.000 0.728 269 A CB -0.601 18.349 19.000 -0.082 0.000 0.814 269 A HN 0.523 nan 8.150 nan 0.000 0.464 270 S N 0.990 116.674 115.700 -0.027 0.000 2.558 270 S HA 0.175 4.646 4.470 0.001 0.000 0.293 270 S C -1.485 173.108 174.600 -0.011 0.000 1.292 270 S CA -0.351 57.834 58.200 -0.025 0.000 1.063 270 S CB 0.657 63.849 63.200 -0.014 0.000 0.831 270 S HN 0.335 nan 8.310 nan 0.000 0.499 271 P HA 0.269 nan 4.420 nan 0.000 0.269 271 P C -0.508 176.794 177.300 0.003 0.000 1.478 271 P CA -0.123 62.974 63.100 -0.005 0.000 1.045 271 P CB 0.064 31.758 31.700 -0.010 0.000 1.512 272 N N 0.395 119.098 118.700 0.004 0.000 2.365 272 N HA 0.120 4.860 4.740 0.001 0.000 0.257 272 N C 1.007 176.532 175.510 0.025 0.000 1.287 272 N CA -0.249 52.810 53.050 0.015 0.000 0.882 272 N CB 0.600 39.091 38.487 0.007 0.000 1.250 272 N HN 0.131 nan 8.380 nan 0.000 0.507 273 K N 0.746 121.163 120.400 0.028 0.000 2.173 273 K HA -0.151 4.169 4.320 0.001 0.000 0.207 273 K C 1.345 177.977 176.600 0.053 0.000 1.046 273 K CA 1.070 57.383 56.287 0.043 0.000 0.929 273 K CB 0.307 32.833 32.500 0.044 0.000 0.720 273 K HN 0.173 nan 8.250 nan 0.000 0.453 274 E N 0.849 121.080 120.200 0.051 0.000 2.051 274 E HA -0.059 4.291 4.350 0.001 0.000 0.189 274 E C 2.124 178.773 176.600 0.082 0.000 0.979 274 E CA 0.714 57.151 56.400 0.062 0.000 0.803 274 E CB -0.068 29.666 29.700 0.056 0.000 0.761 274 E HN 0.272 nan 8.360 nan 0.000 0.451 275 L N 0.570 121.849 121.223 0.094 0.000 2.131 275 L HA -0.180 4.160 4.340 0.001 0.000 0.210 275 L C 2.516 179.421 176.870 0.059 0.000 1.092 275 L CA 1.128 56.065 54.840 0.161 0.000 0.759 275 L CB -0.451 41.704 42.059 0.160 0.000 0.903 275 L HN 0.059 nan 8.230 nan 0.000 0.435 276 A N 0.257 123.084 122.820 0.013 0.000 1.877 276 A HA -0.205 4.115 4.320 0.001 0.000 0.216 276 A C 2.323 179.899 177.584 -0.013 0.000 1.186 276 A CA 1.621 53.647 52.037 -0.019 0.000 0.620 276 A CB -0.294 18.714 19.000 0.013 0.000 0.822 276 A HN 0.339 nan 8.150 nan 0.000 0.443 277 K N -0.576 119.832 120.400 0.012 0.000 2.097 277 K HA -0.145 4.176 4.320 0.001 0.000 0.205 277 K C 2.064 178.608 176.600 -0.094 0.000 1.050 277 K CA 1.410 57.678 56.287 -0.032 0.000 0.938 277 K CB -0.115 32.425 32.500 0.066 0.000 0.718 277 K HN 0.671 nan 8.250 nan 0.000 0.442 278 E N 0.483 120.695 120.200 0.020 0.000 2.077 278 E HA -0.196 4.155 4.350 0.001 0.000 0.193 278 E C 1.762 178.429 176.600 0.112 0.000 0.989 278 E CA 0.930 57.402 56.400 0.121 0.000 0.800 278 E CB -0.065 29.803 29.700 0.280 0.000 0.746 278 E HN 0.242 nan 8.360 nan 0.000 0.452 279 F N 1.037 120.789 119.950 -0.330 0.000 2.039 279 F HA -0.140 4.388 4.527 0.001 0.000 0.294 279 F C 1.834 177.485 175.800 -0.249 0.000 1.130 279 F CA 1.502 59.125 58.000 -0.628 0.000 1.189 279 F CB -0.428 37.936 39.000 -1.060 0.000 0.983 279 F HN -0.023 nan 8.300 nan 0.000 0.471 280 L N 0.109 121.112 121.223 -0.366 0.000 2.042 280 L HA -0.225 4.116 4.340 0.001 0.000 0.210 280 L C 2.437 179.021 176.870 -0.477 0.000 1.076 280 L CA 1.928 56.461 54.840 -0.512 0.000 0.749 280 L CB -0.863 40.810 42.059 -0.644 0.000 0.893 280 L HN 0.264 nan 8.230 nan 0.000 0.432 281 E N -0.210 119.684 120.200 -0.510 0.000 2.076 281 E HA -0.104 4.247 4.350 0.001 0.000 0.190 281 E C 1.603 178.099 176.600 -0.173 0.000 0.979 281 E CA 0.861 56.934 56.400 -0.546 0.000 0.807 281 E CB 0.057 29.213 29.700 -0.905 0.000 0.761 281 E HN 0.520 nan 8.360 nan 0.000 0.454 282 N N -0.809 117.854 118.700 -0.061 0.000 2.322 282 N HA 0.008 4.748 4.740 0.001 0.000 0.181 282 N C 0.819 176.255 175.510 -0.123 0.000 1.088 282 N CA 0.608 53.658 53.050 -0.001 0.000 0.885 282 N CB 0.374 38.912 38.487 0.085 0.000 1.013 282 N HN 0.186 nan 8.380 nan 0.000 0.472 283 Y N 0.064 120.251 120.300 -0.189 0.000 2.576 283 Y HA 0.218 4.768 4.550 0.001 0.000 0.282 283 Y C 1.915 177.628 175.900 -0.312 0.000 1.139 283 Y CA -0.266 57.707 58.100 -0.212 0.000 1.265 283 Y CB -0.524 37.817 38.460 -0.199 0.000 1.376 283 Y HN -0.147 nan 8.280 nan 0.000 0.511 284 L N 0.355 121.354 121.223 -0.374 0.000 1.988 284 L HA -0.001 4.339 4.340 0.001 0.000 0.207 284 L C 1.011 177.809 176.870 -0.120 0.000 1.071 284 L CA 1.772 56.437 54.840 -0.293 0.000 0.744 284 L CB -0.829 41.002 42.059 -0.379 0.000 0.893 284 L HN 0.144 nan 8.230 nan 0.000 0.433 285 L N 1.119 122.304 121.223 -0.064 0.000 2.858 285 L HA 0.096 4.436 4.340 0.001 0.000 0.243 285 L C 0.083 176.973 176.870 0.033 0.000 1.416 285 L CA 0.068 54.932 54.840 0.041 0.000 1.182 285 L CB -1.545 40.647 42.059 0.221 0.000 1.564 285 L HN 0.454 nan 8.230 nan 0.000 0.436 286 T N -6.783 107.743 114.554 -0.047 0.000 2.901 286 T HA 0.282 4.633 4.350 0.001 0.000 0.293 286 T C 0.577 175.182 174.700 -0.159 0.000 1.084 286 T CA -0.850 61.203 62.100 -0.077 0.000 1.008 286 T CB 1.932 70.737 68.868 -0.106 0.000 1.170 286 T HN -0.051 nan 8.240 nan 0.000 0.509 287 D N 0.433 120.725 120.400 -0.179 0.000 2.221 287 D HA -0.025 4.615 4.640 0.001 0.000 0.204 287 D C 1.626 177.651 176.300 -0.458 0.000 0.982 287 D CA 1.282 55.070 54.000 -0.353 0.000 0.857 287 D CB 0.068 40.759 40.800 -0.182 0.000 0.934 287 D HN 0.697 nan 8.370 nan 0.000 0.475 288 E N -0.278 119.769 120.200 -0.256 0.000 2.060 288 E HA 0.077 4.428 4.350 0.001 0.000 0.189 288 E C 2.254 178.753 176.600 -0.169 0.000 0.974 288 E CA 1.049 57.333 56.400 -0.192 0.000 0.808 288 E CB -0.813 28.816 29.700 -0.119 0.000 0.768 288 E HN 0.241 nan 8.360 nan 0.000 0.453 289 G N 1.336 110.050 108.800 -0.144 0.000 2.459 289 G HA2 -0.255 3.706 3.960 0.001 0.000 0.217 289 G HA3 -0.255 3.706 3.960 0.001 0.000 0.217 289 G C 1.562 176.408 174.900 -0.091 0.000 1.183 289 G CA 0.986 46.029 45.100 -0.095 0.000 0.776 289 G HN 0.130 nan 8.290 nan 0.000 0.552 290 L N 0.209 121.351 121.223 -0.136 0.000 2.017 290 L HA -0.076 4.264 4.340 0.001 0.000 0.208 290 L C 2.773 179.617 176.870 -0.044 0.000 1.073 290 L CA 1.689 56.500 54.840 -0.048 0.000 0.745 290 L CB -0.601 41.481 42.059 0.038 0.000 0.894 290 L HN 0.373 nan 8.230 nan 0.000 0.432 291 E N 0.617 120.627 120.200 -0.317 0.000 2.171 291 E HA -0.269 4.082 4.350 0.001 0.000 0.197 291 E C 2.120 178.720 176.600 0.000 0.000 0.997 291 E CA 1.257 57.585 56.400 -0.121 0.000 0.810 291 E CB 0.037 29.587 29.700 -0.250 0.000 0.738 291 E HN 0.484 nan 8.360 nan 0.000 0.467 292 A N 0.184 122.987 122.820 -0.028 0.000 1.968 292 A HA -0.063 4.257 4.320 0.001 0.000 0.217 292 A C 2.283 179.882 177.584 0.025 0.000 1.169 292 A CA 1.108 53.150 52.037 0.008 0.000 0.638 292 A CB -0.180 18.827 19.000 0.012 0.000 0.812 292 A HN 0.220 nan 8.150 nan 0.000 0.446 293 V N 0.178 120.110 119.914 0.030 0.000 2.379 293 V HA -0.162 3.958 4.120 0.001 0.000 0.243 293 V C 2.314 178.439 176.094 0.052 0.000 1.035 293 V CA 1.953 64.270 62.300 0.029 0.000 1.035 293 V CB -0.973 30.868 31.823 0.029 0.000 0.673 293 V HN 0.639 nan 8.190 nan 0.000 0.457 294 N N 0.464 119.227 118.700 0.105 0.000 2.137 294 N HA -0.219 4.521 4.740 0.001 0.000 0.190 294 N C 1.764 177.344 175.510 0.117 0.000 1.017 294 N CA 1.583 54.718 53.050 0.141 0.000 0.859 294 N CB -0.169 38.468 38.487 0.250 0.000 1.002 294 N HN 0.416 nan 8.380 nan 0.000 0.428 295 K N -0.362 120.097 120.400 0.099 0.000 2.148 295 K HA -0.122 4.198 4.320 0.001 0.000 0.204 295 K C 1.291 177.923 176.600 0.054 0.000 1.050 295 K CA 1.048 57.384 56.287 0.082 0.000 0.942 295 K CB -0.083 32.456 32.500 0.066 0.000 0.724 295 K HN 0.275 nan 8.250 nan 0.000 0.446 296 D N 0.665 121.080 120.400 0.025 0.000 2.077 296 D HA -0.061 4.579 4.640 0.001 0.000 0.196 296 D C -0.034 176.262 176.300 -0.007 0.000 0.986 296 D CA 1.329 55.316 54.000 -0.021 0.000 0.829 296 D CB 0.441 41.197 40.800 -0.075 0.000 0.983 296 D HN -0.151 nan 8.370 nan 0.000 0.453 297 K N 0.164 120.571 120.400 0.012 0.000 2.581 297 K HA 0.361 4.682 4.320 0.001 0.000 0.249 297 K C -2.716 173.919 176.600 0.058 0.000 0.966 297 K CA -1.946 54.367 56.287 0.043 0.000 0.811 297 K CB 2.090 34.609 32.500 0.031 0.000 1.223 297 K HN -0.085 nan 8.250 nan 0.000 0.438 298 P HA 0.049 nan 4.420 nan 0.000 0.263 298 P C 0.586 177.874 177.300 -0.020 0.000 1.175 298 P CA 0.142 63.262 63.100 0.032 0.000 0.761 298 P CB 0.588 32.301 31.700 0.022 0.000 0.794 299 L N 1.841 123.081 121.223 0.029 0.000 2.307 299 L HA 0.230 4.571 4.340 0.001 0.000 0.211 299 L C 1.477 178.357 176.870 0.017 0.000 1.099 299 L CA 1.146 56.017 54.840 0.052 0.000 0.816 299 L CB -0.654 41.460 42.059 0.093 0.000 0.952 299 L HN 0.755 nan 8.230 nan 0.000 0.455 300 G N -0.294 108.484 108.800 -0.037 0.000 2.418 300 G HA2 -0.074 3.887 3.960 0.001 0.000 0.206 300 G HA3 -0.074 3.887 3.960 0.001 0.000 0.206 300 G C -0.614 174.313 174.900 0.046 0.000 1.202 300 G CA -0.424 44.656 45.100 -0.033 0.000 1.061 300 G HN 0.309 nan 8.290 nan 0.000 0.563 301 A N 0.394 123.254 122.820 0.067 0.000 2.310 301 A HA 0.707 5.027 4.320 0.001 0.000 0.300 301 A C 0.915 178.548 177.584 0.083 0.000 1.269 301 A CA 0.519 52.598 52.037 0.071 0.000 0.909 301 A CB -0.176 18.870 19.000 0.076 0.000 1.144 301 A HN 2.267 nan 8.150 nan 0.000 0.540 302 V N 0.781 120.741 119.914 0.077 0.000 2.924 302 V HA 0.515 4.636 4.120 0.001 0.000 0.305 302 V C 1.318 177.486 176.094 0.123 0.000 1.073 302 V CA 0.175 62.532 62.300 0.094 0.000 1.098 302 V CB 0.482 32.383 31.823 0.130 0.000 1.000 302 V HN 1.089 nan 8.190 nan 0.000 0.484 303 A N 3.058 125.891 122.820 0.022 0.000 1.930 303 A HA 0.060 4.381 4.320 0.001 0.000 0.217 303 A C 1.296 178.806 177.584 -0.123 0.000 1.175 303 A CA 0.929 52.928 52.037 -0.063 0.000 0.627 303 A CB -0.572 18.256 19.000 -0.287 0.000 0.815 303 A HN 0.985 nan 8.150 nan 0.000 0.443 304 L N 1.277 122.438 121.223 -0.103 0.000 2.530 304 L HA 0.071 4.412 4.340 0.001 0.000 0.273 304 L C 1.143 177.933 176.870 -0.134 0.000 1.141 304 L CA 0.321 55.074 54.840 -0.145 0.000 0.905 304 L CB 0.123 42.164 42.059 -0.029 0.000 1.202 304 L HN 0.337 nan 8.230 nan 0.000 0.473 305 K N 1.748 121.926 120.400 -0.370 0.000 2.001 305 K HA -0.235 4.085 4.320 0.001 0.000 0.214 305 K C 2.047 178.614 176.600 -0.056 0.000 1.050 305 K CA 1.948 58.031 56.287 -0.341 0.000 0.934 305 K CB -0.472 31.757 32.500 -0.451 0.000 0.718 305 K HN 0.881 nan 8.250 nan 0.000 0.443 306 S N 0.907 116.584 115.700 -0.039 0.000 2.372 306 S HA -0.286 4.184 4.470 0.001 0.000 0.227 306 S C 2.110 176.788 174.600 0.131 0.000 1.044 306 S CA 1.637 59.859 58.200 0.037 0.000 1.050 306 S CB -0.838 62.376 63.200 0.024 0.000 0.901 306 S HN 0.392 nan 8.310 nan 0.000 0.447 307 Y N 2.442 122.734 120.300 -0.013 0.000 2.457 307 Y HA 0.178 4.728 4.550 0.001 0.000 0.292 307 Y C 2.357 178.284 175.900 0.047 0.000 1.125 307 Y CA 1.078 59.187 58.100 0.015 0.000 1.254 307 Y CB -0.519 37.947 38.460 0.009 0.000 1.012 307 Y HN 0.353 nan 8.280 nan 0.000 0.555 308 E N 0.772 120.995 120.200 0.040 0.000 2.208 308 E HA -0.182 4.169 4.350 0.001 0.000 0.193 308 E C 2.041 178.646 176.600 0.008 0.000 0.988 308 E CA 1.357 57.761 56.400 0.006 0.000 0.828 308 E CB -0.316 29.512 29.700 0.213 0.000 0.763 308 E HN 0.591 nan 8.360 nan 0.000 0.478 309 E N -0.319 119.909 120.200 0.048 0.000 2.160 309 E HA -0.222 4.128 4.350 0.001 0.000 0.195 309 E C 1.366 177.972 176.600 0.010 0.000 0.991 309 E CA 1.220 57.647 56.400 0.045 0.000 0.810 309 E CB 0.156 29.889 29.700 0.055 0.000 0.742 309 E HN 0.223 nan 8.360 nan 0.000 0.466 310 E N 0.362 120.550 120.200 -0.020 0.000 2.030 310 E HA -0.097 4.254 4.350 0.001 0.000 0.189 310 E C 2.363 178.910 176.600 -0.088 0.000 0.974 310 E CA 0.481 56.862 56.400 -0.033 0.000 0.807 310 E CB -0.481 29.224 29.700 0.008 0.000 0.771 310 E HN 0.324 nan 8.360 nan 0.000 0.451 311 L N 0.975 122.071 121.223 -0.210 0.000 2.081 311 L HA -0.185 4.156 4.340 0.001 0.000 0.212 311 L C 2.426 179.261 176.870 -0.058 0.000 1.080 311 L CA 1.312 56.050 54.840 -0.170 0.000 0.754 311 L CB -0.730 41.166 42.059 -0.272 0.000 0.893 311 L HN 0.057 nan 8.230 nan 0.000 0.433 312 A N -0.120 122.678 122.820 -0.037 0.000 2.186 312 A HA -0.197 4.124 4.320 0.001 0.000 0.219 312 A C 2.258 179.835 177.584 -0.011 0.000 1.159 312 A CA 1.436 53.468 52.037 -0.007 0.000 0.680 312 A CB -0.372 18.633 19.000 0.008 0.000 0.787 312 A HN 0.391 nan 8.150 nan 0.000 0.467 313 K N -0.092 120.297 120.400 -0.019 0.000 2.217 313 K HA -0.069 4.251 4.320 0.001 0.000 0.202 313 K C 0.291 176.873 176.600 -0.030 0.000 1.051 313 K CA 0.529 56.804 56.287 -0.020 0.000 0.952 313 K CB -0.026 32.464 32.500 -0.016 0.000 0.736 313 K HN 0.435 nan 8.250 nan 0.000 0.453 314 D N 0.999 121.381 120.400 -0.031 0.000 2.417 314 D HA 0.008 4.648 4.640 0.001 0.000 0.250 314 D C -1.949 174.311 176.300 -0.068 0.000 1.166 314 D CA -2.055 51.914 54.000 -0.051 0.000 0.881 314 D CB 1.431 42.214 40.800 -0.029 0.000 1.164 314 D HN -0.144 nan 8.370 nan 0.000 0.467 315 P HA -0.074 nan 4.420 nan 0.000 0.218 315 P C 1.079 178.298 177.300 -0.135 0.000 1.149 315 P CA 1.082 64.118 63.100 -0.107 0.000 0.817 315 P CB 0.254 31.879 31.700 -0.125 0.000 0.785 316 R N -0.956 119.396 120.500 -0.248 0.000 2.115 316 R HA -0.039 4.302 4.340 0.001 0.000 0.230 316 R C 2.071 178.341 176.300 -0.050 0.000 1.111 316 R CA 0.952 56.815 56.100 -0.395 0.000 0.976 316 R CB -0.740 28.893 30.300 -1.113 0.000 0.870 316 R HN 0.189 nan 8.270 nan 0.000 0.445 317 I N 0.776 121.381 120.570 0.060 0.000 2.286 317 I HA -0.145 4.026 4.170 0.001 0.000 0.245 317 I C 2.479 178.651 176.117 0.093 0.000 1.104 317 I CA 1.136 62.548 61.300 0.187 0.000 1.397 317 I CB -1.210 36.866 38.000 0.126 0.000 1.072 317 I HN 0.135 nan 8.210 nan 0.000 0.417 318 A N 0.943 123.779 122.820 0.028 0.000 1.902 318 A HA -0.141 4.180 4.320 0.001 0.000 0.217 318 A C 2.554 180.147 177.584 0.014 0.000 1.181 318 A CA 1.996 54.038 52.037 0.007 0.000 0.623 318 A CB -0.725 18.265 19.000 -0.017 0.000 0.818 318 A HN 0.409 nan 8.150 nan 0.000 0.443 319 A N -1.159 121.671 122.820 0.015 0.000 1.930 319 A HA -0.054 4.267 4.320 0.001 0.000 0.217 319 A C 2.285 179.906 177.584 0.061 0.000 1.175 319 A CA 2.199 54.250 52.037 0.023 0.000 0.627 319 A CB -1.218 17.788 19.000 0.010 0.000 0.815 319 A HN 0.425 nan 8.150 nan 0.000 0.443 320 T N 0.168 114.794 114.554 0.121 0.000 2.684 320 T HA -0.149 4.201 4.350 0.001 0.000 0.267 320 T C 1.884 176.627 174.700 0.072 0.000 1.036 320 T CA 1.705 63.886 62.100 0.135 0.000 1.148 320 T CB -0.253 68.737 68.868 0.203 0.000 0.863 320 T HN 0.284 nan 8.240 nan 0.000 0.436 321 M N 0.945 120.576 119.600 0.052 0.000 2.374 321 M HA 0.032 4.513 4.480 0.001 0.000 0.264 321 M C 2.215 178.512 176.300 -0.006 0.000 1.067 321 M CA 1.023 56.331 55.300 0.014 0.000 1.103 321 M CB -0.924 31.672 32.600 -0.007 0.000 1.402 321 M HN 0.424 nan 8.290 nan 0.000 0.444 322 E N 0.444 120.644 120.200 0.000 0.000 2.107 322 E HA -0.155 4.195 4.350 0.001 0.000 0.191 322 E C 1.698 178.294 176.600 -0.007 0.000 0.982 322 E CA 0.952 57.345 56.400 -0.012 0.000 0.809 322 E CB 0.179 29.871 29.700 -0.013 0.000 0.756 322 E HN 0.419 nan 8.360 nan 0.000 0.459 323 N N 0.532 119.236 118.700 0.007 0.000 2.216 323 N HA -0.107 4.634 4.740 0.001 0.000 0.183 323 N C 1.741 177.260 175.510 0.016 0.000 1.017 323 N CA 1.125 54.180 53.050 0.009 0.000 0.861 323 N CB -0.209 38.287 38.487 0.015 0.000 0.986 323 N HN 0.250 nan 8.380 nan 0.000 0.428 324 A N 1.491 124.325 122.820 0.024 0.000 1.908 324 A HA -0.184 4.137 4.320 0.001 0.000 0.218 324 A C 2.120 179.706 177.584 0.003 0.000 1.181 324 A CA 1.297 53.353 52.037 0.033 0.000 0.627 324 A CB -0.598 18.419 19.000 0.030 0.000 0.818 324 A HN 0.341 nan 8.150 nan 0.000 0.445 325 Q N -0.761 119.025 119.800 -0.024 0.000 2.224 325 Q HA -0.128 4.213 4.340 0.001 0.000 0.203 325 Q C 1.627 177.610 176.000 -0.028 0.000 0.970 325 Q CA 1.118 56.896 55.803 -0.043 0.000 0.865 325 Q CB -0.062 28.646 28.738 -0.051 0.000 0.922 325 Q HN 0.436 nan 8.270 nan 0.000 0.445 326 K N -0.176 120.215 120.400 -0.016 0.000 2.228 326 K HA 0.046 4.367 4.320 0.001 0.000 0.202 326 K C 1.098 177.690 176.600 -0.013 0.000 1.051 326 K CA 0.715 56.993 56.287 -0.016 0.000 0.960 326 K CB -0.050 32.442 32.500 -0.013 0.000 0.743 326 K HN 0.181 nan 8.250 nan 0.000 0.458 327 G N 1.132 109.935 108.800 0.005 0.000 2.890 327 G HA2 0.390 4.350 3.960 0.001 0.000 0.189 327 G HA3 0.390 4.350 3.960 0.001 0.000 0.189 327 G C -0.916 174.013 174.900 0.048 0.000 1.342 327 G CA -0.353 44.757 45.100 0.017 0.000 1.026 327 G HN 0.179 nan 8.290 nan 0.000 0.579 328 E N -1.777 118.497 120.200 0.124 0.000 2.392 328 E HA 0.472 4.823 4.350 0.001 0.000 0.279 328 E C -1.058 175.747 176.600 0.343 0.000 0.964 328 E CA -0.917 55.588 56.400 0.175 0.000 0.777 328 E CB 1.514 31.302 29.700 0.147 0.000 1.249 328 E HN 0.340 nan 8.360 nan 0.000 0.449 329 I N 2.541 123.273 120.570 0.270 0.000 2.648 329 I HA 0.023 4.194 4.170 0.001 0.000 0.284 329 I C 0.757 177.120 176.117 0.411 0.000 1.153 329 I CA 0.089 61.587 61.300 0.331 0.000 1.426 329 I CB 0.370 38.492 38.000 0.204 0.000 1.381 329 I HN 0.526 nan 8.210 nan 0.000 0.571 330 M N 7.413 127.267 119.600 0.423 0.000 2.252 330 M HA 0.152 4.633 4.480 0.001 0.000 0.333 330 M C -2.206 174.164 176.300 0.118 0.000 1.111 330 M CA -1.108 54.198 55.300 0.010 0.000 1.140 330 M CB -0.084 32.373 32.600 -0.239 0.000 1.538 330 M HN 0.221 nan 8.290 nan 0.000 0.448 331 P HA 0.121 nan 4.420 nan 0.000 0.276 331 P C -0.597 176.636 177.300 -0.112 0.000 1.244 331 P CA -0.215 62.767 63.100 -0.196 0.000 0.801 331 P CB 0.475 31.741 31.700 -0.724 0.000 1.006 332 N N 0.654 119.374 118.700 0.034 0.000 2.204 332 N HA 0.070 4.811 4.740 0.001 0.000 0.219 332 N C 0.321 175.803 175.510 -0.045 0.000 1.151 332 N CA -0.274 52.791 53.050 0.025 0.000 0.867 332 N CB -0.791 37.814 38.487 0.198 0.000 1.043 332 N HN 0.339 nan 8.380 nan 0.000 0.516 333 I N -2.794 117.753 120.570 -0.038 0.000 2.754 333 I HA 0.267 4.438 4.170 0.001 0.000 0.285 333 I C -1.530 174.511 176.117 -0.128 0.000 1.166 333 I CA -1.579 59.710 61.300 -0.018 0.000 1.417 333 I CB 0.529 38.492 38.000 -0.062 0.000 1.382 333 I HN -0.269 nan 8.210 nan 0.000 0.588 334 P HA -0.208 nan 4.420 nan 0.000 0.217 334 P C 1.161 178.422 177.300 -0.065 0.000 1.151 334 P CA 1.533 64.572 63.100 -0.103 0.000 0.849 334 P CB 0.031 31.707 31.700 -0.041 0.000 0.787 335 Q N -1.965 117.771 119.800 -0.106 0.000 2.291 335 Q HA -0.117 4.224 4.340 0.001 0.000 0.206 335 Q C 1.992 178.056 176.000 0.106 0.000 0.976 335 Q CA 1.151 56.918 55.803 -0.060 0.000 0.875 335 Q CB -0.893 27.625 28.738 -0.367 0.000 0.927 335 Q HN 0.217 nan 8.270 nan 0.000 0.450 336 M N 0.034 119.648 119.600 0.024 0.000 2.108 336 M HA -0.204 4.277 4.480 0.001 0.000 0.257 336 M C 2.135 178.455 176.300 0.032 0.000 1.071 336 M CA 2.190 57.489 55.300 -0.002 0.000 1.093 336 M CB -1.468 31.059 32.600 -0.121 0.000 1.345 336 M HN 0.381 nan 8.290 nan 0.000 0.403 337 S N 0.172 115.909 115.700 0.063 0.000 2.382 337 S HA -0.050 4.421 4.470 0.001 0.000 0.228 337 S C 2.120 176.770 174.600 0.084 0.000 1.027 337 S CA 1.234 59.452 58.200 0.029 0.000 0.991 337 S CB -0.752 62.450 63.200 0.004 0.000 0.823 337 S HN 0.456 nan 8.310 nan 0.000 0.469 338 A N 1.438 124.382 122.820 0.206 0.000 1.902 338 A HA 0.057 4.378 4.320 0.001 0.000 0.217 338 A C 1.966 179.674 177.584 0.206 0.000 1.181 338 A CA 1.473 53.674 52.037 0.273 0.000 0.623 338 A CB -1.115 18.028 19.000 0.239 0.000 0.818 338 A HN 0.612 nan 8.150 nan 0.000 0.443 339 F N -0.806 119.146 119.950 0.002 0.000 2.102 339 F HA -0.186 4.342 4.527 0.001 0.000 0.298 339 F C 2.018 177.687 175.800 -0.219 0.000 1.105 339 F CA 1.650 59.522 58.000 -0.213 0.000 1.239 339 F CB -0.560 38.124 39.000 -0.526 0.000 0.991 339 F HN 0.405 nan 8.300 nan 0.000 0.474 340 W N -0.705 120.429 121.300 -0.277 0.000 2.355 340 W HA -0.224 4.436 4.660 0.001 0.000 0.309 340 W C 2.484 178.845 176.519 -0.264 0.000 1.206 340 W CA 1.439 58.552 57.345 -0.386 0.000 1.284 340 W CB -0.938 28.341 29.460 -0.301 0.000 1.145 340 W HN 0.064 nan 8.180 nan 0.000 0.502 341 Y N -0.122 120.264 120.300 0.143 0.000 2.224 341 Y HA -0.273 4.278 4.550 0.001 0.000 0.289 341 Y C 2.537 178.441 175.900 0.008 0.000 1.146 341 Y CA 0.889 59.034 58.100 0.074 0.000 1.182 341 Y CB -0.854 37.647 38.460 0.067 0.000 0.983 341 Y HN -0.050 nan 8.280 nan 0.000 0.524 342 A N -0.210 122.674 122.820 0.107 0.000 1.858 342 A HA -0.164 4.156 4.320 0.001 0.000 0.216 342 A C 2.306 179.860 177.584 -0.050 0.000 1.190 342 A CA 1.973 54.018 52.037 0.013 0.000 0.617 342 A CB -1.202 17.784 19.000 -0.024 0.000 0.827 342 A HN 0.224 nan 8.150 nan 0.000 0.443 343 V N 0.324 120.112 119.914 -0.210 0.000 2.407 343 V HA -0.250 3.871 4.120 0.001 0.000 0.248 343 V C 2.639 178.754 176.094 0.035 0.000 1.055 343 V CA 2.228 64.441 62.300 -0.145 0.000 1.049 343 V CB -0.925 30.681 31.823 -0.362 0.000 0.662 343 V HN 0.678 nan 8.190 nan 0.000 0.455 344 R N 0.085 120.636 120.500 0.085 0.000 2.073 344 R HA -0.178 4.163 4.340 0.001 0.000 0.234 344 R C 2.352 178.712 176.300 0.100 0.000 1.134 344 R CA 2.201 58.380 56.100 0.133 0.000 0.952 344 R CB -0.546 29.855 30.300 0.168 0.000 0.850 344 R HN 0.513 nan 8.270 nan 0.000 0.433 345 T N 0.866 115.472 114.554 0.086 0.000 2.708 345 T HA -0.135 4.216 4.350 0.001 0.000 0.266 345 T C 1.853 176.581 174.700 0.046 0.000 1.037 345 T CA 1.497 63.633 62.100 0.060 0.000 1.146 345 T CB -0.409 68.488 68.868 0.049 0.000 0.865 345 T HN 0.496 nan 8.240 nan 0.000 0.435 346 A N 1.125 123.970 122.820 0.042 0.000 1.873 346 A HA -0.113 4.208 4.320 0.001 0.000 0.218 346 A C 2.614 180.224 177.584 0.044 0.000 1.193 346 A CA 1.868 53.927 52.037 0.037 0.000 0.629 346 A CB -1.231 17.791 19.000 0.036 0.000 0.826 346 A HN 0.344 nan 8.150 nan 0.000 0.447 347 V N 0.303 120.255 119.914 0.063 0.000 2.287 347 V HA -0.307 3.813 4.120 0.001 0.000 0.248 347 V C 2.453 178.574 176.094 0.044 0.000 1.053 347 V CA 2.167 64.506 62.300 0.065 0.000 1.027 347 V CB -0.760 31.127 31.823 0.106 0.000 0.646 347 V HN 0.573 nan 8.190 nan 0.000 0.447 348 I N 0.389 120.987 120.570 0.047 0.000 2.179 348 I HA -0.231 3.940 4.170 0.001 0.000 0.242 348 I C 2.407 178.534 176.117 0.017 0.000 1.088 348 I CA 1.571 62.889 61.300 0.030 0.000 1.357 348 I CB -0.544 37.477 38.000 0.035 0.000 1.051 348 I HN 0.382 nan 8.210 nan 0.000 0.409 349 N N 1.193 119.904 118.700 0.019 0.000 2.142 349 N HA -0.113 4.627 4.740 0.001 0.000 0.186 349 N C 1.903 177.417 175.510 0.007 0.000 1.023 349 N CA 1.621 54.677 53.050 0.010 0.000 0.852 349 N CB -0.422 38.072 38.487 0.011 0.000 0.998 349 N HN 0.341 nan 8.380 nan 0.000 0.424 350 A N 0.946 123.772 122.820 0.010 0.000 1.933 350 A HA 0.053 4.374 4.320 0.001 0.000 0.218 350 A C 2.352 179.935 177.584 -0.002 0.000 1.175 350 A CA 1.865 53.905 52.037 0.005 0.000 0.628 350 A CB -0.744 18.261 19.000 0.009 0.000 0.814 350 A HN 0.318 nan 8.150 nan 0.000 0.444 351 A N 0.296 123.115 122.820 -0.001 0.000 1.898 351 A HA -0.069 4.251 4.320 0.001 0.000 0.216 351 A C 2.495 180.070 177.584 -0.015 0.000 1.181 351 A CA 2.246 54.276 52.037 -0.012 0.000 0.620 351 A CB -0.929 18.063 19.000 -0.013 0.000 0.819 351 A HN 0.996 nan 8.150 nan 0.000 0.442 352 S N -2.060 113.635 115.700 -0.009 0.000 2.453 352 S HA 0.307 4.777 4.470 0.001 0.000 0.231 352 S C 1.608 176.202 174.600 -0.011 0.000 1.005 352 S CA 1.363 59.556 58.200 -0.010 0.000 0.949 352 S CB -0.254 62.942 63.200 -0.006 0.000 0.774 352 S HN 1.933 nan 8.310 nan 0.000 0.510 353 G N 1.640 110.435 108.800 -0.009 0.000 2.213 353 G HA2 -0.276 3.685 3.960 0.001 0.000 0.226 353 G HA3 -0.276 3.685 3.960 0.001 0.000 0.226 353 G C 0.993 175.890 174.900 -0.006 0.000 0.992 353 G CA 0.180 45.274 45.100 -0.009 0.000 0.632 353 G HN 0.468 nan 8.290 nan 0.000 0.511 354 R N 0.137 120.634 120.500 -0.004 0.000 2.139 354 R HA -0.023 4.317 4.340 0.001 0.000 0.243 354 R C 1.157 177.456 176.300 -0.002 0.000 1.145 354 R CA 1.544 57.642 56.100 -0.004 0.000 0.976 354 R CB -0.082 30.216 30.300 -0.003 0.000 0.866 354 R HN 0.570 nan 8.270 nan 0.000 0.449 355 Q N -0.738 119.062 119.800 0.000 0.000 2.495 355 Q HA 0.211 4.552 4.340 0.001 0.000 0.287 355 Q C -0.790 175.211 176.000 0.003 0.000 1.078 355 Q CA -0.625 55.179 55.803 0.003 0.000 0.793 355 Q CB 2.525 31.266 28.738 0.005 0.000 1.459 355 Q HN 0.063 nan 8.270 nan 0.000 0.422 356 T N -2.656 111.901 114.554 0.005 0.000 2.899 356 T HA 0.256 4.606 4.350 0.001 0.000 0.284 356 T C 1.260 175.965 174.700 0.008 0.000 1.004 356 T CA -0.676 61.427 62.100 0.006 0.000 1.043 356 T CB 0.812 69.684 68.868 0.007 0.000 1.013 356 T HN 0.306 nan 8.240 nan 0.000 0.518 357 V N 1.564 121.484 119.914 0.009 0.000 2.252 357 V HA -0.196 3.924 4.120 0.001 0.000 0.249 357 V C 2.537 178.639 176.094 0.014 0.000 1.056 357 V CA 2.318 64.624 62.300 0.011 0.000 1.022 357 V CB -0.847 30.984 31.823 0.013 0.000 0.641 357 V HN 0.903 nan 8.190 nan 0.000 0.445 358 D N 0.229 120.637 120.400 0.014 0.000 2.116 358 D HA -0.172 4.468 4.640 0.001 0.000 0.193 358 D C 2.202 178.510 176.300 0.013 0.000 0.998 358 D CA 1.794 55.802 54.000 0.014 0.000 0.836 358 D CB -0.503 40.305 40.800 0.013 0.000 0.951 358 D HN 0.460 nan 8.370 nan 0.000 0.449 359 A N 1.026 123.853 122.820 0.012 0.000 1.865 359 A HA -0.085 4.236 4.320 0.001 0.000 0.217 359 A C 2.340 179.932 177.584 0.013 0.000 1.191 359 A CA 2.618 54.662 52.037 0.011 0.000 0.623 359 A CB -0.904 18.101 19.000 0.009 0.000 0.826 359 A HN 0.253 nan 8.150 nan 0.000 0.444 360 A N -0.390 122.438 122.820 0.014 0.000 1.902 360 A HA -0.027 4.294 4.320 0.001 0.000 0.217 360 A C 2.196 179.792 177.584 0.020 0.000 1.181 360 A CA 1.536 53.583 52.037 0.017 0.000 0.623 360 A CB -0.597 18.414 19.000 0.018 0.000 0.818 360 A HN 0.476 nan 8.150 nan 0.000 0.443 361 L N -0.950 120.285 121.223 0.021 0.000 2.072 361 L HA -0.142 4.198 4.340 0.001 0.000 0.205 361 L C 3.121 180.003 176.870 0.021 0.000 1.079 361 L CA 0.951 55.805 54.840 0.023 0.000 0.752 361 L CB -0.737 41.335 42.059 0.021 0.000 0.906 361 L HN 0.439 nan 8.230 nan 0.000 0.436 362 A N 0.453 123.283 122.820 0.018 0.000 1.917 362 A HA -0.242 4.078 4.320 0.001 0.000 0.219 362 A C 2.522 180.119 177.584 0.022 0.000 1.182 362 A CA 2.092 54.139 52.037 0.018 0.000 0.633 362 A CB -0.673 18.337 19.000 0.015 0.000 0.819 362 A HN 0.426 nan 8.150 nan 0.000 0.448 363 A N -0.474 122.359 122.820 0.021 0.000 1.897 363 A HA 0.254 4.575 4.320 0.001 0.000 0.215 363 A C 2.508 180.110 177.584 0.029 0.000 1.181 363 A CA 1.858 53.909 52.037 0.024 0.000 0.620 363 A CB -0.988 18.024 19.000 0.020 0.000 0.821 363 A HN 1.065 nan 8.150 nan 0.000 0.443 364 A N -0.489 122.346 122.820 0.025 0.000 1.908 364 A HA -0.227 4.093 4.320 0.001 0.000 0.218 364 A C 2.153 179.756 177.584 0.032 0.000 1.181 364 A CA 2.222 54.270 52.037 0.020 0.000 0.627 364 A CB -0.628 18.377 19.000 0.007 0.000 0.818 364 A HN 0.578 nan 8.150 nan 0.000 0.445 365 Q N -0.294 119.527 119.800 0.034 0.000 2.045 365 Q HA -0.178 4.162 4.340 0.001 0.000 0.206 365 Q C 1.989 178.026 176.000 0.061 0.000 0.991 365 Q CA 2.948 58.776 55.803 0.042 0.000 0.851 365 Q CB -1.041 27.714 28.738 0.027 0.000 0.911 365 Q HN 0.537 nan 8.270 nan 0.000 0.418 366 T N 1.039 115.624 114.554 0.053 0.000 2.777 366 T HA -0.077 4.273 4.350 0.001 0.000 0.266 366 T C 1.445 176.192 174.700 0.078 0.000 1.040 366 T CA 1.274 63.409 62.100 0.059 0.000 1.141 366 T CB -0.321 68.574 68.868 0.044 0.000 0.868 366 T HN 0.397 nan 8.240 nan 0.000 0.444 367 N N 1.495 120.239 118.700 0.075 0.000 2.244 367 N HA -0.005 4.736 4.740 0.001 0.000 0.183 367 N C 2.098 177.684 175.510 0.127 0.000 1.016 367 N CA 1.133 54.237 53.050 0.090 0.000 0.866 367 N CB -0.339 38.192 38.487 0.073 0.000 0.980 367 N HN 0.404 nan 8.380 nan 0.000 0.430 368 A N 0.878 123.779 122.820 0.135 0.000 1.930 368 A HA 0.133 4.453 4.320 0.001 0.000 0.217 368 A C 2.245 180.011 177.584 0.303 0.000 1.175 368 A CA 1.649 53.816 52.037 0.217 0.000 0.627 368 A CB -0.366 18.744 19.000 0.184 0.000 0.815 368 A HN 0.319 nan 8.150 nan 0.000 0.443 369 A N -0.658 122.299 122.820 0.227 0.000 2.095 369 A HA 0.612 4.933 4.320 0.001 0.000 0.212 369 A C 1.563 179.231 177.584 0.140 0.000 1.162 369 A CA 0.844 53.009 52.037 0.213 0.000 0.753 369 A CB -0.830 18.273 19.000 0.172 0.000 0.840 369 A HN 0.972 nan 8.150 nan 0.000 0.468 1005 L N 2.651 123.942 121.223 0.113 0.000 2.290 1005 L HA 0.689 5.030 4.340 0.001 0.000 0.284 1005 L C 0.517 177.499 176.870 0.186 0.000 1.078 1005 L CA -0.641 54.293 54.840 0.158 0.000 0.815 1005 L CB 1.386 43.516 42.059 0.118 0.000 1.162 1005 L HN 0.592 nan 8.230 nan 0.000 0.435 1006 V N 2.693 122.741 119.914 0.223 0.000 3.164 1006 V HA 0.566 4.686 4.120 0.001 0.000 0.313 1006 V C -0.626 175.588 176.094 0.200 0.000 1.188 1006 V CA -1.261 61.177 62.300 0.229 0.000 1.058 1006 V CB 1.712 33.602 31.823 0.112 0.000 1.110 1006 V HN 0.578 nan 8.190 nan 0.000 0.453 1007 L N 1.671 122.884 121.223 -0.016 0.000 2.334 1007 L HA 0.445 4.786 4.340 0.001 0.000 0.286 1007 L C 1.202 177.882 176.870 -0.316 0.000 1.108 1007 L CA 0.468 55.062 54.840 -0.410 0.000 0.875 1007 L CB -0.220 41.529 42.059 -0.515 0.000 1.246 1007 L HN 0.769 nan 8.230 nan 0.000 0.439 1008 K N 3.109 123.309 120.400 -0.333 0.000 2.362 1008 K HA 0.268 4.589 4.320 0.001 0.000 0.200 1008 K C 0.755 177.209 176.600 -0.243 0.000 1.046 1008 K CA 0.627 56.769 56.287 -0.240 0.000 0.952 1008 K CB -0.030 32.320 32.500 -0.249 0.000 0.753 1008 K HN 0.845 nan 8.250 nan 0.000 0.466 1009 G N -0.142 108.417 108.800 -0.401 0.000 2.320 1009 G HA2 0.171 4.132 3.960 0.001 0.000 0.297 1009 G HA3 0.171 4.132 3.960 0.001 0.000 0.297 1009 G C -1.497 173.179 174.900 -0.374 0.000 1.344 1009 G CA -0.698 44.232 45.100 -0.283 0.000 0.851 1009 G HN -0.010 nan 8.290 nan 0.000 0.567 1010 T N -2.085 112.327 114.554 -0.237 0.000 2.916 1010 T HA 0.727 5.077 4.350 0.001 0.000 0.298 1010 T C -0.388 174.203 174.700 -0.181 0.000 1.031 1010 T CA -0.672 61.280 62.100 -0.247 0.000 0.993 1010 T CB 1.806 70.545 68.868 -0.215 0.000 1.045 1010 T HN 0.603 nan 8.240 nan 0.000 0.454 1011 M N 2.830 122.266 119.600 -0.273 0.000 2.181 1011 M HA 0.502 4.983 4.480 0.001 0.000 0.323 1011 M C -0.354 175.799 176.300 -0.245 0.000 1.004 1011 M CA -0.616 54.448 55.300 -0.393 0.000 0.941 1011 M CB 2.060 34.057 32.600 -1.006 0.000 1.579 1011 M HN 0.522 nan 8.290 nan 0.000 0.427 1012 R N 1.644 122.178 120.500 0.058 0.000 2.599 1012 R HA 0.834 5.174 4.340 0.001 0.000 0.295 1012 R C 0.063 176.565 176.300 0.337 0.000 0.963 1012 R CA -0.238 55.966 56.100 0.173 0.000 0.883 1012 R CB 1.849 32.192 30.300 0.071 0.000 1.171 1012 R HN 0.922 nan 8.270 nan 0.000 0.450 1013 A N 0.654 123.630 122.820 0.259 0.000 1.608 1013 A HA 0.049 4.370 4.320 0.001 0.000 0.188 1013 A C -0.280 177.311 177.584 0.012 0.000 2.043 1013 A CA -0.431 51.644 52.037 0.064 0.000 1.646 1013 A CB -0.184 18.726 19.000 -0.150 0.000 1.588 1013 A HN 0.596 nan 8.150 nan 0.000 0.277 1014 H N 2.056 121.215 119.070 0.148 0.000 2.897 1014 H HA 0.239 4.796 4.556 0.001 0.000 0.347 1014 H C 1.288 176.635 175.328 0.031 0.000 1.068 1014 H CA 1.444 57.534 56.048 0.070 0.000 1.426 1014 H CB 0.923 30.739 29.762 0.090 0.000 1.410 1014 H HN 0.483 nan 8.280 nan 0.000 0.597 1015 T N -0.940 113.704 114.554 0.150 0.000 3.105 1015 T HA 0.131 4.481 4.350 0.001 0.000 0.253 1015 T C 0.344 175.058 174.700 0.023 0.000 1.047 1015 T CA -0.288 61.850 62.100 0.064 0.000 0.944 1015 T CB 0.573 69.466 68.868 0.041 0.000 1.016 1015 T HN 0.438 nan 8.240 nan 0.000 0.544 1016 D N 0.085 120.489 120.400 0.006 0.000 2.643 1016 D HA 0.242 4.883 4.640 0.001 0.000 0.283 1016 D C -0.813 175.407 176.300 -0.135 0.000 1.242 1016 D CA -0.900 53.049 54.000 -0.085 0.000 0.863 1016 D CB 1.985 42.704 40.800 -0.135 0.000 1.382 1016 D HN 0.148 nan 8.370 nan 0.000 0.444 1017 M N 1.378 120.856 119.600 -0.204 0.000 2.226 1017 M HA -0.050 4.430 4.480 0.001 0.000 0.377 1017 M C -0.878 175.274 176.300 -0.248 0.000 1.309 1017 M CA 0.426 55.591 55.300 -0.224 0.000 0.874 1017 M CB 0.245 32.670 32.600 -0.290 0.000 1.902 1017 M HN 0.053 nan 8.290 nan 0.000 0.485 1018 V N 7.005 126.813 119.914 -0.176 0.000 2.353 1018 V HA 0.081 4.201 4.120 0.001 0.000 0.264 1018 V C 1.302 177.313 176.094 -0.138 0.000 1.049 1018 V CA 0.325 62.518 62.300 -0.178 0.000 0.896 1018 V CB 0.523 32.331 31.823 -0.025 0.000 1.025 1018 V HN 1.066 nan 8.190 nan 0.000 0.475 1019 T N 1.669 116.133 114.554 -0.148 0.000 3.043 1019 T HA 0.432 4.783 4.350 0.001 0.000 0.263 1019 T C 0.571 175.265 174.700 -0.009 0.000 1.094 1019 T CA 0.633 62.690 62.100 -0.072 0.000 1.127 1019 T CB 0.367 69.187 68.868 -0.081 0.000 0.905 1019 T HN 0.928 nan 8.240 nan 0.000 0.490 1020 A N 0.103 122.921 122.820 -0.004 0.000 2.612 1020 A HA 0.744 5.064 4.320 0.001 0.000 0.293 1020 A C -1.753 175.866 177.584 0.058 0.000 1.075 1020 A CA -1.004 51.056 52.037 0.039 0.000 0.680 1020 A CB 1.130 20.162 19.000 0.052 0.000 1.279 1020 A HN 0.372 nan 8.150 nan 0.000 0.411 1021 I N 0.536 121.151 120.570 0.074 0.000 2.607 1021 I HA 0.609 4.779 4.170 0.001 0.000 0.290 1021 I C 0.027 176.197 176.117 0.088 0.000 1.129 1021 I CA -0.546 60.800 61.300 0.077 0.000 1.042 1021 I CB 2.175 40.218 38.000 0.071 0.000 1.242 1021 I HN 0.890 nan 8.210 nan 0.000 0.421 1022 A N 3.672 126.538 122.820 0.077 0.000 2.355 1022 A HA 0.878 5.199 4.320 0.001 0.000 0.317 1022 A C -0.329 177.289 177.584 0.056 0.000 1.094 1022 A CA -0.539 51.555 52.037 0.096 0.000 0.764 1022 A CB 1.424 20.494 19.000 0.116 0.000 1.230 1022 A HN 0.668 nan 8.150 nan 0.000 0.448 1023 T N 0.843 115.451 114.554 0.090 0.000 2.829 1023 T HA 0.753 5.103 4.350 0.001 0.000 0.280 1023 T C -2.785 171.973 174.700 0.097 0.000 0.999 1023 T CA -1.964 60.178 62.100 0.070 0.000 0.983 1023 T CB 1.520 70.476 68.868 0.146 0.000 0.968 1023 T HN 0.481 nan 8.240 nan 0.000 0.446 1024 P HA 0.196 nan 4.420 nan 0.000 0.265 1024 P C 0.818 178.171 177.300 0.088 0.000 1.193 1024 P CA -0.331 62.812 63.100 0.072 0.000 0.765 1024 P CB 0.957 32.688 31.700 0.051 0.000 0.823 1025 I N 2.097 122.713 120.570 0.077 0.000 2.226 1025 I HA -0.224 3.946 4.170 0.001 0.000 0.245 1025 I C 1.680 177.836 176.117 0.064 0.000 1.100 1025 I CA 1.818 63.163 61.300 0.075 0.000 1.374 1025 I CB -0.454 37.580 38.000 0.056 0.000 1.057 1025 I HN 0.416 nan 8.210 nan 0.000 0.413 1026 D N -0.089 120.342 120.400 0.051 0.000 2.338 1026 D HA -0.168 4.472 4.640 0.001 0.000 0.239 1026 D C 0.759 177.091 176.300 0.053 0.000 1.095 1026 D CA 0.196 54.222 54.000 0.043 0.000 0.888 1026 D CB -0.898 39.919 40.800 0.029 0.000 0.899 1026 D HN 0.290 nan 8.370 nan 0.000 0.525 1027 N N -1.166 117.578 118.700 0.074 0.000 2.714 1027 N HA -0.246 4.494 4.740 0.001 0.000 0.250 1027 N C -0.115 175.443 175.510 0.080 0.000 1.117 1027 N CA 0.777 53.883 53.050 0.094 0.000 0.719 1027 N CB -1.359 37.183 38.487 0.091 0.000 1.081 1027 N HN 0.529 nan 8.380 nan 0.000 0.557 1028 A N -0.281 122.574 122.820 0.059 0.000 2.409 1028 A HA 0.160 4.481 4.320 0.001 0.000 0.246 1028 A C 0.510 178.122 177.584 0.048 0.000 1.099 1028 A CA 0.381 52.443 52.037 0.042 0.000 0.789 1028 A CB 0.211 19.226 19.000 0.025 0.000 1.053 1028 A HN 0.362 nan 8.150 nan 0.000 0.503 1029 D N 0.409 120.829 120.400 0.032 0.000 3.032 1029 D HA 0.352 4.992 4.640 0.001 0.000 0.241 1029 D C -0.453 175.860 176.300 0.022 0.000 1.196 1029 D CA 0.660 54.678 54.000 0.031 0.000 0.927 1029 D CB -0.799 40.005 40.800 0.008 0.000 1.129 1029 D HN 0.457 nan 8.370 nan 0.000 0.458 1030 I N -2.060 118.519 120.570 0.016 0.000 2.908 1030 I HA 0.514 4.684 4.170 0.001 0.000 0.300 1030 I C -0.925 175.171 176.117 -0.037 0.000 1.385 1030 I CA -1.326 59.980 61.300 0.010 0.000 1.004 1030 I CB 1.771 39.778 38.000 0.011 0.000 1.309 1030 I HN -0.110 nan 8.210 nan 0.000 0.449 1031 I N 1.062 121.613 120.570 -0.032 0.000 3.191 1031 I HA 0.939 5.109 4.170 0.001 0.000 0.313 1031 I C -1.574 174.595 176.117 0.086 0.000 1.193 1031 I CA -1.314 59.930 61.300 -0.093 0.000 0.968 1031 I CB 2.436 40.182 38.000 -0.423 0.000 1.262 1031 I HN 0.435 nan 8.210 nan 0.000 0.456 1032 V N 1.912 121.874 119.914 0.081 0.000 2.709 1032 V HA 0.687 4.808 4.120 0.001 0.000 0.308 1032 V C -0.224 175.973 176.094 0.173 0.000 1.062 1032 V CA -0.232 62.149 62.300 0.136 0.000 0.901 1032 V CB 2.064 33.920 31.823 0.055 0.000 1.003 1032 V HN 1.001 nan 8.190 nan 0.000 0.425 1033 S N 2.730 118.592 115.700 0.269 0.000 2.599 1033 S HA 0.968 5.438 4.470 0.001 0.000 0.294 1033 S C -0.529 174.202 174.600 0.217 0.000 1.094 1033 S CA -0.504 57.875 58.200 0.298 0.000 0.931 1033 S CB 2.252 65.791 63.200 0.565 0.000 1.093 1033 S HN 1.373 nan 8.310 nan 0.000 0.488 1034 A N 0.782 123.652 122.820 0.083 0.000 2.365 1034 A HA 0.906 5.226 4.320 0.001 0.000 0.318 1034 A C -0.233 177.208 177.584 -0.239 0.000 1.091 1034 A CA -0.721 51.294 52.037 -0.036 0.000 0.763 1034 A CB 1.688 20.684 19.000 -0.007 0.000 1.248 1034 A HN 1.202 nan 8.150 nan 0.000 0.442 1035 S N 0.216 115.711 115.700 -0.342 0.000 2.618 1035 S HA 0.473 4.943 4.470 0.001 0.000 0.277 1035 S C 0.397 174.827 174.600 -0.283 0.000 1.138 1035 S CA -0.644 57.265 58.200 -0.485 0.000 0.844 1035 S CB 1.386 63.955 63.200 -1.052 0.000 1.127 1035 S HN 0.649 nan 8.310 nan 0.000 0.474 1036 R N 0.512 120.800 120.500 -0.355 0.000 2.323 1036 R HA 0.023 4.363 4.340 0.001 0.000 0.198 1036 R C 0.403 176.642 176.300 -0.102 0.000 0.988 1036 R CA 1.074 56.918 56.100 -0.426 0.000 1.041 1036 R CB -0.302 29.390 30.300 -1.014 0.000 0.926 1036 R HN 0.698 nan 8.270 nan 0.000 0.476 1037 D N 0.284 120.634 120.400 -0.084 0.000 2.363 1037 D HA -0.085 4.555 4.640 0.001 0.000 0.226 1037 D C 0.067 176.412 176.300 0.075 0.000 1.020 1037 D CA 0.143 54.157 54.000 0.022 0.000 0.892 1037 D CB -0.002 40.828 40.800 0.051 0.000 0.900 1037 D HN 0.003 nan 8.370 nan 0.000 0.531 1038 K N -1.323 119.132 120.400 0.092 0.000 3.423 1038 K HA -0.145 4.175 4.320 0.001 0.000 0.306 1038 K C -0.161 176.517 176.600 0.131 0.000 1.331 1038 K CA 0.894 57.263 56.287 0.136 0.000 0.905 1038 K CB -2.409 30.173 32.500 0.136 0.000 1.332 1038 K HN 0.489 nan 8.250 nan 0.000 0.473 1039 S N 0.141 115.888 115.700 0.079 0.000 2.704 1039 S HA 0.862 5.333 4.470 0.001 0.000 0.296 1039 S C -0.200 174.407 174.600 0.011 0.000 1.138 1039 S CA -0.905 57.313 58.200 0.029 0.000 0.875 1039 S CB 2.522 65.731 63.200 0.015 0.000 1.151 1039 S HN 0.397 nan 8.310 nan 0.000 0.500 1040 I N -1.336 119.142 120.570 -0.154 0.000 2.740 1040 I HA 0.754 4.925 4.170 0.001 0.000 0.303 1040 I C -1.478 174.523 176.117 -0.192 0.000 1.044 1040 I CA -1.464 59.754 61.300 -0.137 0.000 1.064 1040 I CB 1.691 39.478 38.000 -0.355 0.000 1.249 1040 I HN 0.663 nan 8.210 nan 0.000 0.433 1041 I N 4.688 125.169 120.570 -0.149 0.000 2.545 1041 I HA 0.335 4.505 4.170 0.001 0.000 0.292 1041 I C -1.060 174.816 176.117 -0.402 0.000 1.040 1041 I CA -0.872 60.171 61.300 -0.428 0.000 1.068 1041 I CB 2.310 39.807 38.000 -0.840 0.000 1.251 1041 I HN 0.486 nan 8.210 nan 0.000 0.424 1042 L N 6.569 127.546 121.223 -0.410 0.000 2.260 1042 L HA 0.411 4.751 4.340 0.001 0.000 0.289 1042 L C -1.414 175.268 176.870 -0.313 0.000 1.057 1042 L CA 0.074 54.770 54.840 -0.240 0.000 0.811 1042 L CB 0.126 42.078 42.059 -0.179 0.000 1.184 1042 L HN 0.392 nan 8.230 nan 0.000 0.429 1043 W N 4.641 125.877 121.300 -0.105 0.000 2.417 1043 W HA 0.674 5.335 4.660 0.001 0.000 0.317 1043 W C 0.208 176.680 176.519 -0.079 0.000 1.121 1043 W CA -0.617 56.672 57.345 -0.092 0.000 1.208 1043 W CB 0.984 30.391 29.460 -0.089 0.000 1.253 1043 W HN 0.546 nan 8.180 nan 0.000 0.533 1044 K N 4.265 124.767 120.400 0.170 0.000 2.281 1044 K HA 0.499 4.819 4.320 0.001 0.000 0.272 1044 K C -0.714 175.941 176.600 0.092 0.000 1.048 1044 K CA -0.740 55.595 56.287 0.079 0.000 0.898 1044 K CB 0.136 32.649 32.500 0.022 0.000 1.128 1044 K HN 0.683 nan 8.250 nan 0.000 0.460 1045 L N 4.153 125.407 121.223 0.051 0.000 2.536 1045 L HA 0.076 4.416 4.340 0.001 0.000 0.282 1045 L C 1.878 178.692 176.870 -0.094 0.000 1.147 1045 L CA -0.138 54.692 54.840 -0.018 0.000 0.936 1045 L CB -0.057 41.990 42.059 -0.020 0.000 1.279 1045 L HN 1.021 nan 8.230 nan 0.000 0.461 1046 T N -1.262 113.234 114.554 -0.097 0.000 2.901 1046 T HA 0.009 4.359 4.350 0.001 0.000 0.252 1046 T C 1.295 175.891 174.700 -0.173 0.000 1.035 1046 T CA 0.446 62.487 62.100 -0.099 0.000 1.142 1046 T CB 0.079 68.919 68.868 -0.046 0.000 0.869 1046 T HN 0.614 nan 8.240 nan 0.000 0.442 1047 K N 0.239 120.484 120.400 -0.258 0.000 3.606 1047 K HA -0.196 4.125 4.320 0.001 0.000 0.279 1047 K C 0.524 177.049 176.600 -0.124 0.000 1.137 1047 K CA 1.207 57.313 56.287 -0.301 0.000 1.058 1047 K CB -2.666 29.612 32.500 -0.370 0.000 1.343 1047 K HN 0.819 nan 8.250 nan 0.000 0.462 1048 D N 0.988 121.334 120.400 -0.090 0.000 2.506 1048 D HA 0.273 4.914 4.640 0.001 0.000 0.234 1048 D C 1.262 177.539 176.300 -0.038 0.000 1.143 1048 D CA 0.976 54.943 54.000 -0.055 0.000 0.871 1048 D CB -0.343 40.431 40.800 -0.044 0.000 1.190 1048 D HN 0.329 nan 8.370 nan 0.000 0.459 1049 D N 0.362 120.741 120.400 -0.034 0.000 2.585 1049 D HA -0.298 4.342 4.640 0.001 0.000 0.190 1049 D C 2.294 178.581 176.300 -0.022 0.000 1.057 1049 D CA 4.705 58.688 54.000 -0.029 0.000 0.900 1049 D CB -1.306 39.476 40.800 -0.030 0.000 0.900 1049 D HN 1.029 nan 8.370 nan 0.000 0.463 1050 K N -0.337 120.052 120.400 -0.018 0.000 1.980 1050 K HA 0.463 4.784 4.320 0.001 0.000 0.223 1050 K C 1.632 178.232 176.600 -0.000 0.000 1.052 1050 K CA 2.560 58.842 56.287 -0.010 0.000 0.974 1050 K CB -0.872 31.624 32.500 -0.006 0.000 0.734 1050 K HN 1.886 nan 8.250 nan 0.000 0.447 1051 A N -3.495 119.332 122.820 0.011 0.000 2.602 1051 A HA 0.590 4.911 4.320 0.001 0.000 0.290 1051 A C 0.294 177.914 177.584 0.059 0.000 1.114 1051 A CA 0.023 52.082 52.037 0.037 0.000 0.683 1051 A CB 0.246 19.278 19.000 0.053 0.000 1.281 1051 A HN 0.515 nan 8.150 nan 0.000 0.416 1052 Y N 0.602 120.876 120.300 -0.043 0.000 2.352 1052 Y HA 0.306 4.856 4.550 0.001 0.000 0.292 1052 Y C 1.139 177.051 175.900 0.019 0.000 1.136 1052 Y CA 1.933 60.018 58.100 -0.026 0.000 1.227 1052 Y CB 0.201 38.628 38.460 -0.056 0.000 0.991 1052 Y HN 1.029 nan 8.280 nan 0.000 0.545 1053 G N -1.059 107.828 108.800 0.144 0.000 2.601 1053 G HA2 0.475 4.436 3.960 0.001 0.000 0.291 1053 G HA3 0.475 4.436 3.960 0.001 0.000 0.291 1053 G C -2.066 173.019 174.900 0.308 0.000 1.456 1053 G CA -0.222 44.984 45.100 0.177 0.000 0.804 1053 G HN 0.364 nan 8.290 nan 0.000 0.499 1054 V N -1.994 118.121 119.914 0.336 0.000 2.823 1054 V HA 0.887 5.008 4.120 0.001 0.000 0.312 1054 V C 0.531 176.682 176.094 0.095 0.000 1.072 1054 V CA -0.682 61.780 62.300 0.271 0.000 0.937 1054 V CB 1.466 33.340 31.823 0.085 0.000 1.013 1054 V HN 2.030 nan 8.190 nan 0.000 0.430 1055 A N 2.475 125.135 122.820 -0.266 0.000 2.535 1055 A HA 0.180 4.501 4.320 0.001 0.000 0.290 1055 A C 1.052 178.410 177.584 -0.377 0.000 1.270 1055 A CA 0.425 52.028 52.037 -0.723 0.000 0.937 1055 A CB -0.228 18.316 19.000 -0.759 0.000 1.096 1055 A HN 1.063 nan 8.150 nan 0.000 0.534 1056 Q N 1.451 121.065 119.800 -0.311 0.000 2.172 1056 Q HA 0.006 4.346 4.340 0.001 0.000 0.200 1056 Q C 0.693 176.572 176.000 -0.201 0.000 0.964 1056 Q CA 0.994 56.684 55.803 -0.189 0.000 0.855 1056 Q CB 0.134 28.796 28.738 -0.128 0.000 0.918 1056 Q HN 0.754 nan 8.270 nan 0.000 0.444 1057 R N -0.289 120.048 120.500 -0.272 0.000 2.560 1057 R HA 0.239 4.580 4.340 0.001 0.000 0.267 1057 R C -1.813 174.314 176.300 -0.289 0.000 1.150 1057 R CA -0.476 55.488 56.100 -0.227 0.000 0.997 1057 R CB 1.298 31.501 30.300 -0.162 0.000 1.250 1057 R HN -0.038 nan 8.270 nan 0.000 0.433 1058 R N 5.471 125.822 120.500 -0.248 0.000 2.294 1058 R HA 0.427 4.768 4.340 0.001 0.000 0.319 1058 R C -1.063 175.120 176.300 -0.195 0.000 0.984 1058 R CA -0.429 55.519 56.100 -0.254 0.000 0.861 1058 R CB 0.773 30.945 30.300 -0.214 0.000 1.104 1058 R HN 0.490 nan 8.270 nan 0.000 0.451 1059 L N 4.610 125.674 121.223 -0.265 0.000 2.298 1059 L HA 0.403 4.744 4.340 0.001 0.000 0.284 1059 L C 0.159 176.884 176.870 -0.240 0.000 1.013 1059 L CA -0.731 53.940 54.840 -0.283 0.000 0.824 1059 L CB 1.798 43.482 42.059 -0.625 0.000 1.221 1059 L HN 0.750 nan 8.230 nan 0.000 0.418 1060 T N -1.347 113.217 114.554 0.018 0.000 2.932 1060 T HA 0.840 5.190 4.350 0.001 0.000 0.289 1060 T C 0.508 175.386 174.700 0.295 0.000 1.039 1060 T CA 0.114 62.283 62.100 0.114 0.000 1.024 1060 T CB 2.425 71.334 68.868 0.068 0.000 1.090 1060 T HN 0.735 nan 8.240 nan 0.000 0.496 1061 G N -0.081 108.877 108.800 0.262 0.000 3.847 1061 G HA2 0.045 4.005 3.960 0.001 0.000 0.189 1061 G HA3 0.045 4.005 3.960 0.001 0.000 0.189 1061 G C -0.041 174.908 174.900 0.082 0.000 0.907 1061 G CA -0.485 44.708 45.100 0.155 0.000 0.893 1061 G HN 0.825 nan 8.290 nan 0.000 0.379 1062 H N 1.700 120.915 119.070 0.241 0.000 2.690 1062 H HA 0.391 4.947 4.556 0.001 0.000 0.365 1062 H C 1.331 176.724 175.328 0.109 0.000 1.142 1062 H CA 1.020 57.167 56.048 0.165 0.000 1.417 1062 H CB 1.670 31.549 29.762 0.195 0.000 1.446 1062 H HN 0.300 nan 8.280 nan 0.000 0.599 1063 S N 1.461 117.298 115.700 0.228 0.000 2.577 1063 S HA 0.071 4.542 4.470 0.001 0.000 0.219 1063 S C 0.543 175.179 174.600 0.060 0.000 0.962 1063 S CA -0.100 58.165 58.200 0.108 0.000 0.921 1063 S CB 0.233 63.474 63.200 0.068 0.000 0.789 1063 S HN 0.639 nan 8.310 nan 0.000 0.497 1064 H N -0.240 118.830 119.070 -0.000 0.000 2.928 1064 H HA 0.467 5.024 4.556 0.001 0.000 0.285 1064 H C -1.218 174.038 175.328 -0.120 0.000 1.438 1064 H CA -1.796 54.148 56.048 -0.173 0.000 1.176 1064 H CB 0.492 30.142 29.762 -0.186 0.000 1.864 1064 H HN 0.083 nan 8.280 nan 0.000 0.567 1065 F N 0.851 120.904 119.950 0.171 0.000 2.629 1065 F HA 0.076 4.603 4.527 0.001 0.000 0.377 1065 F C 0.883 176.512 175.800 -0.285 0.000 1.101 1065 F CA -0.058 57.775 58.000 -0.279 0.000 1.301 1065 F CB -0.429 38.058 39.000 -0.855 0.000 1.062 1065 F HN -0.011 nan 8.300 nan 0.000 0.583 1066 V N 3.618 123.539 119.914 0.011 0.000 2.461 1066 V HA 0.134 4.254 4.120 0.001 0.000 0.275 1066 V C 0.787 176.853 176.094 -0.046 0.000 1.047 1066 V CA -0.331 61.952 62.300 -0.029 0.000 0.955 1066 V CB 1.314 33.172 31.823 0.058 0.000 0.988 1066 V HN 0.806 nan 8.190 nan 0.000 0.471 1067 E N 2.790 122.996 120.200 0.009 0.000 2.340 1067 E HA 0.094 4.445 4.350 0.001 0.000 0.198 1067 E C 0.077 176.708 176.600 0.052 0.000 0.961 1067 E CA 0.428 56.871 56.400 0.073 0.000 0.905 1067 E CB 0.440 30.290 29.700 0.250 0.000 0.884 1067 E HN 0.810 nan 8.360 nan 0.000 0.491 1068 D N -1.089 119.334 120.400 0.038 0.000 2.736 1068 D HA 0.377 5.018 4.640 0.001 0.000 0.223 1068 D C -1.914 174.420 176.300 0.056 0.000 1.231 1068 D CA -0.635 53.393 54.000 0.047 0.000 0.818 1068 D CB 1.954 42.780 40.800 0.044 0.000 1.587 1068 D HN -0.074 nan 8.370 nan 0.000 0.463 1069 V N 2.469 122.425 119.914 0.070 0.000 3.049 1069 V HA 0.821 4.942 4.120 0.001 0.000 0.309 1069 V C -1.448 174.711 176.094 0.109 0.000 1.148 1069 V CA -0.329 62.024 62.300 0.088 0.000 0.990 1069 V CB 2.084 33.951 31.823 0.072 0.000 1.039 1069 V HN 0.510 nan 8.190 nan 0.000 0.430 1070 V N 5.654 125.651 119.914 0.139 0.000 3.049 1070 V HA 0.575 4.695 4.120 0.001 0.000 0.309 1070 V C -0.674 175.596 176.094 0.294 0.000 1.148 1070 V CA -0.624 61.797 62.300 0.201 0.000 0.990 1070 V CB 2.248 34.189 31.823 0.197 0.000 1.039 1070 V HN 0.816 nan 8.190 nan 0.000 0.430 1071 L N 1.997 123.398 121.223 0.297 0.000 2.352 1071 L HA 0.650 4.990 4.340 0.001 0.000 0.269 1071 L C 0.548 177.581 176.870 0.272 0.000 1.034 1071 L CA -0.373 54.637 54.840 0.282 0.000 0.806 1071 L CB 2.210 44.367 42.059 0.162 0.000 1.244 1071 L HN 0.849 nan 8.230 nan 0.000 0.447 1072 S N -0.399 115.384 115.700 0.139 0.000 2.669 1072 S HA 0.207 4.678 4.470 0.001 0.000 0.270 1072 S C 0.970 175.507 174.600 -0.105 0.000 1.225 1072 S CA -0.600 57.460 58.200 -0.233 0.000 0.991 1072 S CB 1.527 64.657 63.200 -0.117 0.000 0.987 1072 S HN 0.574 nan 8.310 nan 0.000 0.552 1073 S N 1.029 116.625 115.700 -0.173 0.000 2.370 1073 S HA -0.147 4.324 4.470 0.001 0.000 0.226 1073 S C 1.391 175.981 174.600 -0.017 0.000 1.033 1073 S CA 1.516 59.672 58.200 -0.074 0.000 1.011 1073 S CB -0.706 62.441 63.200 -0.088 0.000 0.852 1073 S HN 0.776 nan 8.310 nan 0.000 0.457 1074 D N 0.596 120.998 120.400 0.003 0.000 2.182 1074 D HA -0.065 4.575 4.640 0.001 0.000 0.201 1074 D C 1.685 178.000 176.300 0.026 0.000 0.986 1074 D CA 1.336 55.358 54.000 0.038 0.000 0.847 1074 D CB -0.433 40.432 40.800 0.108 0.000 0.942 1074 D HN 0.565 nan 8.370 nan 0.000 0.467 1075 G N 0.604 109.426 108.800 0.037 0.000 2.148 1075 G HA2 -0.278 3.682 3.960 0.001 0.000 0.254 1075 G HA3 -0.278 3.682 3.960 0.001 0.000 0.254 1075 G C 0.946 175.841 174.900 -0.008 0.000 0.981 1075 G CA 0.339 45.457 45.100 0.030 0.000 0.670 1075 G HN 0.240 nan 8.290 nan 0.000 0.528 1076 Q N -1.355 118.428 119.800 -0.029 0.000 2.396 1076 Q HA 0.376 4.716 4.340 0.001 0.000 0.209 1076 Q C 0.309 175.987 176.000 -0.537 0.000 0.906 1076 Q CA 0.727 56.368 55.803 -0.270 0.000 0.927 1076 Q CB 0.421 28.965 28.738 -0.323 0.000 1.069 1076 Q HN 0.592 nan 8.270 nan 0.000 0.523 1077 F N -0.570 119.436 119.950 0.092 0.000 2.599 1077 F HA 0.654 5.181 4.527 0.001 0.000 0.311 1077 F C -0.331 175.616 175.800 0.245 0.000 1.076 1077 F CA -1.337 56.768 58.000 0.174 0.000 0.937 1077 F CB 1.577 40.688 39.000 0.186 0.000 1.282 1077 F HN -0.271 nan 8.300 nan 0.000 0.460 1078 A N 2.094 125.217 122.820 0.506 0.000 2.355 1078 A HA 0.859 5.179 4.320 0.001 0.000 0.324 1078 A C -2.020 175.893 177.584 0.549 0.000 1.117 1078 A CA -0.680 51.618 52.037 0.434 0.000 0.785 1078 A CB 1.613 20.747 19.000 0.224 0.000 1.254 1078 A HN 0.718 nan 8.150 nan 0.000 0.453 1079 L N 2.246 123.682 121.223 0.355 0.000 2.349 1079 L HA 0.719 5.060 4.340 0.001 0.000 0.278 1079 L C 0.028 176.974 176.870 0.128 0.000 0.996 1079 L CA 0.150 55.047 54.840 0.096 0.000 0.825 1079 L CB 1.707 43.495 42.059 -0.451 0.000 1.243 1079 L HN 0.833 nan 8.230 nan 0.000 0.412 1080 S N 2.633 118.484 115.700 0.252 0.000 2.638 1080 S HA 1.001 5.471 4.470 0.001 0.000 0.302 1080 S C -0.283 174.397 174.600 0.133 0.000 1.096 1080 S CA -0.298 58.068 58.200 0.277 0.000 0.953 1080 S CB 1.803 65.366 63.200 0.605 0.000 1.107 1080 S HN 1.011 nan 8.310 nan 0.000 0.503 1081 G N 0.379 109.202 108.800 0.037 0.000 2.643 1081 G HA2 0.610 4.571 3.960 0.001 0.000 0.305 1081 G HA3 0.610 4.571 3.960 0.001 0.000 0.305 1081 G C -0.718 174.082 174.900 -0.166 0.000 1.387 1081 G CA -0.476 44.575 45.100 -0.082 0.000 0.982 1081 G HN 1.272 nan 8.290 nan 0.000 0.501 1082 S N 0.556 116.070 115.700 -0.311 0.000 2.667 1082 S HA 0.471 4.942 4.470 0.001 0.000 0.292 1082 S C -0.190 174.397 174.600 -0.021 0.000 1.126 1082 S CA -0.842 57.216 58.200 -0.238 0.000 0.881 1082 S CB 1.251 64.078 63.200 -0.623 0.000 1.132 1082 S HN 0.509 nan 8.310 nan 0.000 0.492 1083 W N 1.729 122.832 121.300 -0.328 0.000 2.848 1083 W HA 0.120 4.780 4.660 0.001 0.000 0.241 1083 W C 1.061 177.383 176.519 -0.329 0.000 1.289 1083 W CA 0.453 57.517 57.345 -0.468 0.000 1.396 1083 W CB -0.835 28.054 29.460 -0.951 0.000 1.138 1083 W HN 0.900 nan 8.180 nan 0.000 0.677 1084 D N -1.716 118.711 120.400 0.046 0.000 2.328 1084 D HA 0.143 4.783 4.640 0.001 0.000 0.221 1084 D C 1.917 178.250 176.300 0.055 0.000 1.072 1084 D CA 0.520 54.577 54.000 0.096 0.000 0.850 1084 D CB -0.430 40.465 40.800 0.157 0.000 0.922 1084 D HN 0.141 nan 8.370 nan 0.000 0.516 1085 G N -0.043 108.756 108.800 -0.001 0.000 2.184 1085 G HA2 -0.287 3.674 3.960 0.001 0.000 0.264 1085 G HA3 -0.287 3.674 3.960 0.001 0.000 0.264 1085 G C -0.034 174.920 174.900 0.091 0.000 0.975 1085 G CA 0.451 45.561 45.100 0.016 0.000 0.642 1085 G HN 0.524 nan 8.290 nan 0.000 0.536 1086 E N -0.925 119.324 120.200 0.082 0.000 2.339 1086 E HA 0.781 5.132 4.350 0.001 0.000 0.262 1086 E C -0.846 175.808 176.600 0.090 0.000 0.934 1086 E CA -1.157 55.316 56.400 0.120 0.000 0.802 1086 E CB 1.710 31.504 29.700 0.155 0.000 1.275 1086 E HN 0.067 nan 8.360 nan 0.000 0.427 1087 L N 0.785 122.021 121.223 0.022 0.000 2.333 1087 L HA 0.539 4.880 4.340 0.001 0.000 0.269 1087 L C -0.319 176.540 176.870 -0.018 0.000 1.010 1087 L CA -0.387 54.385 54.840 -0.112 0.000 0.818 1087 L CB 1.489 43.171 42.059 -0.628 0.000 1.306 1087 L HN 0.380 nan 8.230 nan 0.000 0.430 1088 R N 1.440 121.902 120.500 -0.063 0.000 2.621 1088 R HA 0.654 4.994 4.340 0.001 0.000 0.284 1088 R C -1.491 174.593 176.300 -0.362 0.000 0.998 1088 R CA -0.773 55.152 56.100 -0.291 0.000 0.895 1088 R CB 2.111 31.970 30.300 -0.736 0.000 1.195 1088 R HN 0.458 nan 8.270 nan 0.000 0.450 1089 L N 2.488 123.538 121.223 -0.288 0.000 2.307 1089 L HA 0.485 4.826 4.340 0.001 0.000 0.282 1089 L C -1.156 175.594 176.870 -0.199 0.000 1.051 1089 L CA -0.359 54.443 54.840 -0.064 0.000 0.804 1089 L CB 0.881 43.000 42.059 0.101 0.000 1.197 1089 L HN 0.521 nan 8.230 nan 0.000 0.431 1090 W N 2.206 123.642 121.300 0.225 0.000 2.785 1090 W HA 0.277 4.938 4.660 0.001 0.000 0.333 1090 W C -0.343 176.374 176.519 0.329 0.000 1.062 1090 W CA -0.668 56.798 57.345 0.203 0.000 1.233 1090 W CB 1.143 30.670 29.460 0.111 0.000 1.413 1090 W HN 0.285 nan 8.180 nan 0.000 0.489 1091 D N 3.544 124.216 120.400 0.452 0.000 2.441 1091 D HA 0.136 4.777 4.640 0.001 0.000 0.221 1091 D C 0.977 177.297 176.300 0.034 0.000 1.156 1091 D CA 0.040 54.155 54.000 0.192 0.000 0.896 1091 D CB 0.790 41.729 40.800 0.230 0.000 1.028 1091 D HN 0.467 nan 8.370 nan 0.000 0.509 1092 L N 2.920 124.093 121.223 -0.085 0.000 2.043 1092 L HA -0.242 4.098 4.340 0.001 0.000 0.212 1092 L C 2.452 179.266 176.870 -0.092 0.000 1.075 1092 L CA 1.590 56.386 54.840 -0.073 0.000 0.752 1092 L CB -0.446 41.549 42.059 -0.106 0.000 0.891 1092 L HN 0.415 nan 8.230 nan 0.000 0.432 1093 A N -0.050 122.685 122.820 -0.143 0.000 1.873 1093 A HA -0.105 4.216 4.320 0.001 0.000 0.215 1093 A C 2.421 179.973 177.584 -0.054 0.000 1.186 1093 A CA 1.705 53.681 52.037 -0.102 0.000 0.616 1093 A CB -0.679 18.248 19.000 -0.121 0.000 0.823 1093 A HN 0.399 nan 8.150 nan 0.000 0.442 1094 A N -1.848 120.954 122.820 -0.030 0.000 2.167 1094 A HA 0.390 4.710 4.320 0.001 0.000 0.214 1094 A C 1.865 179.464 177.584 0.025 0.000 1.151 1094 A CA 1.278 53.318 52.037 0.006 0.000 0.735 1094 A CB -1.016 18.003 19.000 0.031 0.000 0.802 1094 A HN 1.955 nan 8.150 nan 0.000 0.467 1095 G N -0.982 107.839 108.800 0.034 0.000 2.179 1095 G HA2 -0.110 3.851 3.960 0.001 0.000 0.257 1095 G HA3 -0.110 3.851 3.960 0.001 0.000 0.257 1095 G C 0.310 175.294 174.900 0.139 0.000 1.010 1095 G CA 0.917 46.051 45.100 0.057 0.000 0.736 1095 G HN 1.854 nan 8.290 nan 0.000 0.513 1096 V N -3.413 116.609 119.914 0.180 0.000 3.001 1096 V HA 0.909 5.030 4.120 0.001 0.000 0.314 1096 V C 0.465 176.687 176.094 0.212 0.000 1.099 1096 V CA -0.331 62.084 62.300 0.192 0.000 0.989 1096 V CB 1.840 33.716 31.823 0.088 0.000 1.040 1096 V HN 0.859 nan 8.190 nan 0.000 0.434 1097 S N 1.066 116.768 115.700 0.004 0.000 2.528 1097 S HA 0.407 4.878 4.470 0.001 0.000 0.277 1097 S C 1.093 175.560 174.600 -0.221 0.000 1.297 1097 S CA 0.283 58.201 58.200 -0.470 0.000 1.052 1097 S CB 0.740 63.426 63.200 -0.857 0.000 0.917 1097 S HN 1.351 nan 8.310 nan 0.000 0.492 1098 T N 1.911 116.359 114.554 -0.177 0.000 3.044 1098 T HA 0.410 4.761 4.350 0.001 0.000 0.260 1098 T C 0.327 174.965 174.700 -0.104 0.000 1.019 1098 T CA -0.472 61.587 62.100 -0.069 0.000 0.921 1098 T CB 0.029 68.923 68.868 0.042 0.000 1.053 1098 T HN 0.553 nan 8.240 nan 0.000 0.533 1099 R N 0.417 120.820 120.500 -0.160 0.000 2.764 1099 R HA 0.413 4.753 4.340 0.001 0.000 0.250 1099 R C -1.929 174.309 176.300 -0.103 0.000 1.122 1099 R CA -0.402 55.617 56.100 -0.136 0.000 1.022 1099 R CB 1.105 31.349 30.300 -0.093 0.000 1.266 1099 R HN 0.104 nan 8.270 nan 0.000 0.454 1100 R N 3.649 124.062 120.500 -0.145 0.000 2.474 1100 R HA 0.445 4.786 4.340 0.001 0.000 0.295 1100 R C -0.718 175.513 176.300 -0.115 0.000 0.980 1100 R CA -0.507 55.558 56.100 -0.057 0.000 0.934 1100 R CB 1.151 31.406 30.300 -0.075 0.000 1.101 1100 R HN 0.439 nan 8.270 nan 0.000 0.469 1101 F N 2.224 121.990 119.950 -0.307 0.000 2.311 1101 F HA 0.253 4.781 4.527 0.001 0.000 0.371 1101 F C -0.078 175.568 175.800 -0.257 0.000 1.083 1101 F CA -0.928 56.738 58.000 -0.557 0.000 1.113 1101 F CB 1.434 39.651 39.000 -1.304 0.000 1.349 1101 F HN 0.055 nan 8.300 nan 0.000 0.470 1102 V N 3.008 123.006 119.914 0.140 0.000 2.333 1102 V HA 0.647 4.767 4.120 0.001 0.000 0.274 1102 V C 0.457 176.778 176.094 0.379 0.000 1.028 1102 V CA 0.155 62.589 62.300 0.224 0.000 0.851 1102 V CB 0.764 32.653 31.823 0.110 0.000 1.000 1102 V HN 0.994 nan 8.190 nan 0.000 0.456 1103 G N 2.777 111.817 108.800 0.400 0.000 4.213 1103 G HA2 0.061 4.022 3.960 0.001 0.000 0.206 1103 G HA3 0.061 4.022 3.960 0.001 0.000 0.206 1103 G C 0.293 175.247 174.900 0.090 0.000 1.421 1103 G CA -0.345 44.875 45.100 0.200 0.000 0.997 1103 G HN 0.553 nan 8.290 nan 0.000 0.456 1104 H N 1.427 120.630 119.070 0.223 0.000 2.998 1104 H HA 0.167 4.724 4.556 0.001 0.000 0.353 1104 H C 1.472 176.829 175.328 0.047 0.000 1.099 1104 H CA 1.490 57.600 56.048 0.104 0.000 1.393 1104 H CB 1.316 31.142 29.762 0.107 0.000 1.343 1104 H HN 0.375 nan 8.280 nan 0.000 0.609 1105 T N -0.851 113.790 114.554 0.145 0.000 3.054 1105 T HA 0.272 4.623 4.350 0.001 0.000 0.255 1105 T C 0.587 175.293 174.700 0.010 0.000 1.035 1105 T CA -0.137 61.998 62.100 0.059 0.000 0.941 1105 T CB 0.934 69.820 68.868 0.030 0.000 1.026 1105 T HN 0.342 nan 8.240 nan 0.000 0.533 1106 K N 0.721 121.110 120.400 -0.019 0.000 2.430 1106 K HA 0.419 4.740 4.320 0.001 0.000 0.268 1106 K C -1.475 174.989 176.600 -0.227 0.000 1.043 1106 K CA -1.097 55.106 56.287 -0.141 0.000 0.899 1106 K CB 1.190 33.568 32.500 -0.203 0.000 1.472 1106 K HN -0.039 nan 8.250 nan 0.000 0.451 1107 D N 1.399 121.575 120.400 -0.374 0.000 2.629 1107 D HA -0.024 4.617 4.640 0.001 0.000 0.228 1107 D C -0.447 175.580 176.300 -0.456 0.000 1.127 1107 D CA 0.405 54.127 54.000 -0.463 0.000 0.855 1107 D CB 0.350 40.619 40.800 -0.884 0.000 1.180 1107 D HN 0.016 nan 8.370 nan 0.000 0.484 1108 V N 3.597 123.320 119.914 -0.319 0.000 2.432 1108 V HA 0.117 4.237 4.120 0.001 0.000 0.275 1108 V C 1.253 177.202 176.094 -0.242 0.000 1.043 1108 V CA -0.327 61.781 62.300 -0.320 0.000 0.925 1108 V CB 1.307 33.006 31.823 -0.207 0.000 0.985 1108 V HN 0.449 nan 8.190 nan 0.000 0.466 1109 L N 3.294 124.362 121.223 -0.257 0.000 2.638 1109 L HA 0.371 4.712 4.340 0.001 0.000 0.232 1109 L C 0.741 177.577 176.870 -0.058 0.000 1.099 1109 L CA 0.530 55.275 54.840 -0.158 0.000 0.883 1109 L CB 0.692 42.611 42.059 -0.234 0.000 1.136 1109 L HN 0.670 nan 8.230 nan 0.000 0.492 1110 S N -0.174 115.485 115.700 -0.067 0.000 2.552 1110 S HA 0.644 5.114 4.470 0.001 0.000 0.272 1110 S C -1.288 173.297 174.600 -0.024 0.000 1.150 1110 S CA -0.573 57.617 58.200 -0.016 0.000 0.849 1110 S CB 1.837 65.043 63.200 0.009 0.000 1.113 1110 S HN -0.045 nan 8.310 nan 0.000 0.458 1111 V N 0.274 120.183 119.914 -0.009 0.000 3.049 1111 V HA 1.089 5.209 4.120 0.001 0.000 0.309 1111 V C -0.518 175.582 176.094 0.010 0.000 1.148 1111 V CA -0.380 61.895 62.300 -0.041 0.000 0.990 1111 V CB 1.035 32.777 31.823 -0.135 0.000 1.039 1111 V HN 1.622 nan 8.190 nan 0.000 0.430 1112 A N 2.405 125.246 122.820 0.036 0.000 2.594 1112 A HA 0.902 5.223 4.320 0.001 0.000 0.295 1112 A C -1.745 175.999 177.584 0.266 0.000 1.071 1112 A CA -0.418 51.744 52.037 0.208 0.000 0.685 1112 A CB 1.732 20.939 19.000 0.345 0.000 1.285 1112 A HN 0.932 nan 8.150 nan 0.000 0.405 1113 F N 1.709 121.804 119.950 0.242 0.000 2.421 1113 F HA 0.531 5.058 4.527 0.001 0.000 0.337 1113 F C 1.340 176.934 175.800 -0.343 0.000 1.105 1113 F CA -0.232 57.796 58.000 0.046 0.000 1.049 1113 F CB 2.043 41.052 39.000 0.015 0.000 1.139 1113 F HN 0.681 nan 8.300 nan 0.000 0.479 1114 S N 3.807 119.289 115.700 -0.364 0.000 2.584 1114 S HA 0.195 4.665 4.470 0.001 0.000 0.270 1114 S C 1.364 175.675 174.600 -0.481 0.000 1.346 1114 S CA -0.684 56.840 58.200 -1.125 0.000 1.018 1114 S CB 0.508 63.370 63.200 -0.563 0.000 0.899 1114 S HN 0.652 nan 8.310 nan 0.000 0.542 1115 L N 0.594 121.561 121.223 -0.426 0.000 2.051 1115 L HA -0.160 4.181 4.340 0.001 0.000 0.214 1115 L C 2.111 178.900 176.870 -0.134 0.000 1.076 1115 L CA 1.962 56.694 54.840 -0.179 0.000 0.758 1115 L CB -0.960 41.038 42.059 -0.101 0.000 0.890 1115 L HN 0.854 nan 8.230 nan 0.000 0.433 1116 D N -1.271 119.053 120.400 -0.127 0.000 2.328 1116 D HA -0.100 4.541 4.640 0.001 0.000 0.226 1116 D C 0.449 176.687 176.300 -0.105 0.000 1.066 1116 D CA -0.054 53.892 54.000 -0.090 0.000 0.861 1116 D CB -0.785 39.983 40.800 -0.053 0.000 0.912 1116 D HN 0.425 nan 8.370 nan 0.000 0.521 1117 N N -0.130 118.486 118.700 -0.139 0.000 2.708 1117 N HA -0.243 4.498 4.740 0.001 0.000 0.251 1117 N C 0.581 176.100 175.510 0.014 0.000 1.123 1117 N CA 0.477 53.434 53.050 -0.156 0.000 0.739 1117 N CB -0.590 37.644 38.487 -0.422 0.000 1.113 1117 N HN 0.334 nan 8.380 nan 0.000 0.561 1118 R N -0.153 120.368 120.500 0.036 0.000 2.290 1118 R HA 0.157 4.497 4.340 0.001 0.000 0.197 1118 R C -0.013 176.374 176.300 0.145 0.000 0.913 1118 R CA 0.549 56.696 56.100 0.077 0.000 1.040 1118 R CB 0.367 30.691 30.300 0.040 0.000 0.992 1118 R HN 0.167 nan 8.270 nan 0.000 0.500 1119 Q N 0.340 120.242 119.800 0.170 0.000 2.372 1119 Q HA 0.447 4.787 4.340 0.001 0.000 0.273 1119 Q C -0.980 175.206 176.000 0.310 0.000 1.078 1119 Q CA -0.451 55.495 55.803 0.239 0.000 0.806 1119 Q CB 2.903 31.774 28.738 0.222 0.000 1.332 1119 Q HN 0.072 nan 8.270 nan 0.000 0.435 1120 I N 1.362 122.138 120.570 0.344 0.000 2.509 1120 I HA 0.575 4.746 4.170 0.001 0.000 0.293 1120 I C -0.456 175.894 176.117 0.388 0.000 1.020 1120 I CA -1.064 60.389 61.300 0.254 0.000 1.088 1120 I CB 2.116 40.112 38.000 -0.005 0.000 1.267 1120 I HN 0.151 nan 8.210 nan 0.000 0.430 1121 V N 4.019 124.120 119.914 0.311 0.000 2.769 1121 V HA 0.688 4.808 4.120 0.001 0.000 0.312 1121 V C -0.307 175.895 176.094 0.181 0.000 1.061 1121 V CA -0.479 61.977 62.300 0.260 0.000 0.931 1121 V CB 2.132 33.994 31.823 0.064 0.000 1.010 1121 V HN 0.895 nan 8.190 nan 0.000 0.433 1122 S N 1.798 117.652 115.700 0.257 0.000 2.564 1122 S HA 0.944 5.415 4.470 0.001 0.000 0.274 1122 S C -0.758 173.940 174.600 0.163 0.000 1.124 1122 S CA -0.422 57.903 58.200 0.207 0.000 0.869 1122 S CB 2.131 65.542 63.200 0.352 0.000 1.105 1122 S HN 1.488 nan 8.310 nan 0.000 0.472 1123 A N 0.879 123.697 122.820 -0.003 0.000 2.365 1123 A HA 0.915 5.236 4.320 0.001 0.000 0.318 1123 A C -0.190 177.225 177.584 -0.281 0.000 1.091 1123 A CA -0.713 51.282 52.037 -0.070 0.000 0.763 1123 A CB 1.703 20.678 19.000 -0.042 0.000 1.248 1123 A HN 1.170 nan 8.150 nan 0.000 0.442 1124 S N 0.111 115.627 115.700 -0.307 0.000 2.632 1124 S HA 0.484 4.955 4.470 0.001 0.000 0.289 1124 S C 0.654 175.061 174.600 -0.320 0.000 1.115 1124 S CA -0.644 57.289 58.200 -0.445 0.000 0.889 1124 S CB 1.445 64.256 63.200 -0.649 0.000 1.116 1124 S HN 0.666 nan 8.310 nan 0.000 0.486 1125 R N 0.448 120.652 120.500 -0.494 0.000 2.307 1125 R HA 0.005 4.345 4.340 0.001 0.000 0.199 1125 R C 0.349 176.520 176.300 -0.214 0.000 1.000 1125 R CA 1.111 56.813 56.100 -0.662 0.000 1.023 1125 R CB -0.216 29.320 30.300 -1.272 0.000 0.908 1125 R HN 0.684 nan 8.270 nan 0.000 0.473 1126 D N 0.055 120.372 120.400 -0.137 0.000 2.323 1126 D HA -0.067 4.574 4.640 0.001 0.000 0.239 1126 D C 0.037 176.374 176.300 0.062 0.000 1.129 1126 D CA -0.073 53.924 54.000 -0.004 0.000 0.865 1126 D CB -0.138 40.682 40.800 0.033 0.000 0.913 1126 D HN -0.003 nan 8.370 nan 0.000 0.517 1127 R N -1.618 118.932 120.500 0.083 0.000 4.000 1127 R HA -0.165 4.176 4.340 0.001 0.000 0.362 1127 R C -0.018 176.358 176.300 0.126 0.000 1.183 1127 R CA 1.403 57.580 56.100 0.128 0.000 1.011 1127 R CB -2.895 27.484 30.300 0.132 0.000 1.501 1127 R HN 0.590 nan 8.270 nan 0.000 0.553 1128 T N -2.378 112.243 114.554 0.111 0.000 2.926 1128 T HA 0.802 5.152 4.350 0.001 0.000 0.289 1128 T C 0.106 174.888 174.700 0.137 0.000 1.054 1128 T CA -1.000 61.164 62.100 0.106 0.000 1.015 1128 T CB 2.323 71.236 68.868 0.074 0.000 1.167 1128 T HN 0.138 nan 8.240 nan 0.000 0.526 1129 I N 1.197 121.795 120.570 0.047 0.000 2.406 1129 I HA 0.460 4.631 4.170 0.001 0.000 0.290 1129 I C -0.176 175.940 176.117 -0.002 0.000 0.999 1129 I CA -0.921 60.392 61.300 0.021 0.000 1.124 1129 I CB 1.994 39.886 38.000 -0.180 0.000 1.289 1129 I HN 0.552 nan 8.210 nan 0.000 0.441 1130 K N 6.506 126.961 120.400 0.090 0.000 2.259 1130 K HA 0.681 5.002 4.320 0.001 0.000 0.249 1130 K C -1.250 175.333 176.600 -0.028 0.000 0.942 1130 K CA -0.717 55.501 56.287 -0.114 0.000 0.816 1130 K CB 2.678 34.928 32.500 -0.418 0.000 1.155 1130 K HN 0.434 nan 8.250 nan 0.000 0.428 1131 L N 2.661 123.780 121.223 -0.173 0.000 2.307 1131 L HA 0.524 4.864 4.340 0.001 0.000 0.284 1131 L C -1.237 175.592 176.870 -0.067 0.000 1.023 1131 L CA -0.714 54.147 54.840 0.035 0.000 0.810 1131 L CB 0.712 42.815 42.059 0.074 0.000 1.231 1131 L HN 0.554 nan 8.230 nan 0.000 0.423 1132 W N 1.445 122.841 121.300 0.159 0.000 2.962 1132 W HA 0.400 5.060 4.660 0.001 0.000 0.341 1132 W C 0.003 176.644 176.519 0.203 0.000 1.155 1132 W CA -0.674 56.791 57.345 0.200 0.000 1.165 1132 W CB 0.923 30.617 29.460 0.391 0.000 1.435 1132 W HN 0.451 nan 8.180 nan 0.000 0.546 1133 N N -1.189 117.761 118.700 0.416 0.000 2.514 1133 N HA 0.348 5.088 4.740 0.001 0.000 0.299 1133 N C 0.750 176.449 175.510 0.315 0.000 1.292 1133 N CA 0.074 53.288 53.050 0.274 0.000 0.963 1133 N CB -0.527 38.051 38.487 0.152 0.000 1.124 1133 N HN 0.396 nan 8.380 nan 0.000 0.580 1134 T N -3.232 111.443 114.554 0.201 0.000 3.100 1134 T HA 0.150 4.500 4.350 0.001 0.000 0.253 1134 T C 1.195 175.915 174.700 0.033 0.000 1.118 1134 T CA 0.291 62.508 62.100 0.195 0.000 1.058 1134 T CB -0.527 68.417 68.868 0.126 0.000 0.953 1134 T HN 0.374 nan 8.240 nan 0.000 0.515 1135 L N 0.856 122.059 121.223 -0.034 0.000 2.629 1135 L HA 0.422 4.763 4.340 0.001 0.000 0.230 1135 L C 1.877 178.573 176.870 -0.290 0.000 1.151 1135 L CA 0.241 55.002 54.840 -0.131 0.000 0.924 1135 L CB -0.624 41.397 42.059 -0.064 0.000 1.137 1135 L HN 0.538 nan 8.230 nan 0.000 0.457 1136 G N 0.414 108.882 108.800 -0.553 0.000 2.143 1136 G HA2 -0.245 3.716 3.960 0.001 0.000 0.249 1136 G HA3 -0.245 3.716 3.960 0.001 0.000 0.249 1136 G C 0.012 174.884 174.900 -0.046 0.000 0.981 1136 G CA -0.118 44.481 45.100 -0.836 0.000 0.665 1136 G HN 0.531 nan 8.290 nan 0.000 0.528 1137 E N -0.455 119.811 120.200 0.111 0.000 2.216 1137 E HA 0.459 4.809 4.350 0.001 0.000 0.279 1137 E C 0.223 176.900 176.600 0.129 0.000 0.997 1137 E CA -0.672 55.806 56.400 0.131 0.000 0.817 1137 E CB 1.910 31.626 29.700 0.027 0.000 1.096 1137 E HN 0.240 nan 8.360 nan 0.000 0.393 1138 C N 3.442 122.610 119.300 -0.220 0.000 2.555 1138 C HA 0.279 4.739 4.460 0.001 0.000 0.385 1138 C C 1.492 176.295 174.990 -0.312 0.000 1.296 1138 C CA 0.210 58.820 59.018 -0.679 0.000 1.757 1138 C CB -1.199 25.974 27.740 -0.945 0.000 2.445 1138 C HN 0.959 nan 8.230 nan 0.000 0.571 1139 K N 4.102 124.387 120.400 -0.192 0.000 2.314 1139 K HA 0.193 4.513 4.320 0.001 0.000 0.198 1139 K C 0.193 176.796 176.600 0.005 0.000 1.045 1139 K CA 0.930 57.189 56.287 -0.048 0.000 0.988 1139 K CB 0.098 32.624 32.500 0.043 0.000 0.783 1139 K HN 0.879 nan 8.250 nan 0.000 0.484 1140 Y N -1.237 118.925 120.300 -0.230 0.000 2.521 1140 Y HA 0.376 4.926 4.550 0.001 0.000 0.326 1140 Y C -1.580 174.162 175.900 -0.262 0.000 1.176 1140 Y CA -0.746 57.236 58.100 -0.197 0.000 1.079 1140 Y CB 1.952 40.336 38.460 -0.126 0.000 1.341 1140 Y HN -0.117 nan 8.280 nan 0.000 0.456 1141 T N 6.592 120.783 114.554 -0.607 0.000 2.847 1141 T HA 0.456 4.807 4.350 0.001 0.000 0.291 1141 T C -0.451 174.071 174.700 -0.297 0.000 0.998 1141 T CA -0.478 61.401 62.100 -0.368 0.000 0.967 1141 T CB 0.646 69.292 68.868 -0.371 0.000 0.954 1141 T HN 0.468 nan 8.240 nan 0.000 0.441 1142 I N 4.109 124.622 120.570 -0.096 0.000 2.270 1142 I HA 0.089 4.260 4.170 0.001 0.000 0.300 1142 I C 1.319 177.382 176.117 -0.089 0.000 1.186 1142 I CA -0.366 60.881 61.300 -0.089 0.000 1.431 1142 I CB -0.331 37.442 38.000 -0.378 0.000 1.485 1142 I HN 0.685 nan 8.210 nan 0.000 0.650 1143 S N 2.976 118.628 115.700 -0.079 0.000 2.553 1143 S HA -0.114 4.356 4.470 0.001 0.000 0.271 1143 S C 1.142 175.751 174.600 0.014 0.000 1.362 1143 S CA -0.340 57.834 58.200 -0.044 0.000 1.010 1143 S CB 0.717 63.882 63.200 -0.059 0.000 0.865 1143 S HN 0.714 nan 8.310 nan 0.000 0.543 1144 E N 1.344 121.562 120.200 0.031 0.000 2.501 1144 E HA -0.032 4.319 4.350 0.001 0.000 0.203 1144 E C 1.160 177.797 176.600 0.061 0.000 1.072 1144 E CA 0.256 56.694 56.400 0.064 0.000 0.885 1144 E CB -0.889 28.846 29.700 0.059 0.000 0.813 1144 E HN 0.802 nan 8.360 nan 0.000 0.556 1145 G N -0.388 108.439 108.800 0.045 0.000 2.818 1145 G HA2 -0.084 3.877 3.960 0.001 0.000 0.235 1145 G HA3 -0.084 3.877 3.960 0.001 0.000 0.235 1145 G C 0.983 175.918 174.900 0.058 0.000 1.244 1145 G CA -0.108 45.019 45.100 0.045 0.000 0.853 1145 G HN 0.285 nan 8.290 nan 0.000 0.596 1146 G N 0.097 108.924 108.800 0.045 0.000 2.517 1146 G HA2 -0.245 3.715 3.960 0.001 0.000 0.222 1146 G HA3 -0.245 3.715 3.960 0.001 0.000 0.222 1146 G C 1.539 176.464 174.900 0.043 0.000 1.109 1146 G CA 1.494 46.617 45.100 0.039 0.000 0.746 1146 G HN 0.768 nan 8.290 nan 0.000 0.576 1147 E N 1.347 121.588 120.200 0.067 0.000 2.072 1147 E HA 0.057 4.408 4.350 0.001 0.000 0.190 1147 E C 1.745 178.444 176.600 0.164 0.000 0.982 1147 E CA 0.893 57.347 56.400 0.090 0.000 0.803 1147 E CB -1.062 28.725 29.700 0.144 0.000 0.755 1147 E HN 0.265 nan 8.360 nan 0.000 0.453 1148 G N 0.810 109.730 108.800 0.200 0.000 2.489 1148 G HA2 0.097 4.058 3.960 0.001 0.000 0.271 1148 G HA3 0.097 4.058 3.960 0.001 0.000 0.271 1148 G C -0.131 174.801 174.900 0.053 0.000 1.427 1148 G CA -0.483 44.739 45.100 0.204 0.000 1.057 1148 G HN 0.189 nan 8.290 nan 0.000 0.532 1149 H N -1.244 117.953 119.070 0.211 0.000 2.547 1149 H HA 0.484 5.041 4.556 0.001 0.000 0.362 1149 H C 1.363 176.757 175.328 0.111 0.000 1.181 1149 H CA 0.400 56.544 56.048 0.159 0.000 1.376 1149 H CB 1.132 30.993 29.762 0.165 0.000 1.488 1149 H HN 0.539 nan 8.280 nan 0.000 0.583 1150 R N 1.228 121.870 120.500 0.236 0.000 2.397 1150 R HA 0.080 4.421 4.340 0.001 0.000 0.241 1150 R C 0.165 176.530 176.300 0.109 0.000 0.914 1150 R CA 0.411 56.593 56.100 0.137 0.000 1.071 1150 R CB 0.190 30.547 30.300 0.096 0.000 1.116 1150 R HN 0.646 nan 8.270 nan 0.000 0.524 1151 D N -2.539 117.944 120.400 0.138 0.000 2.958 1151 D HA 0.282 4.922 4.640 0.001 0.000 0.306 1151 D C -0.845 175.551 176.300 0.160 0.000 1.226 1151 D CA -0.750 53.289 54.000 0.066 0.000 1.032 1151 D CB 0.663 41.468 40.800 0.010 0.000 1.400 1151 D HN 0.104 nan 8.370 nan 0.000 0.587 1152 W N 0.992 122.258 121.300 -0.056 0.000 2.257 1152 W HA 0.218 4.878 4.660 0.001 0.000 0.337 1152 W C -0.004 176.444 176.519 -0.118 0.000 1.321 1152 W CA -0.532 56.705 57.345 -0.180 0.000 1.267 1152 W CB -0.442 28.730 29.460 -0.480 0.000 1.187 1152 W HN -0.103 nan 8.180 nan 0.000 0.565 1153 V N 3.827 123.783 119.914 0.071 0.000 2.364 1153 V HA 0.078 4.199 4.120 0.001 0.000 0.272 1153 V C 1.031 177.118 176.094 -0.013 0.000 1.036 1153 V CA -0.179 62.097 62.300 -0.039 0.000 0.880 1153 V CB 0.817 32.627 31.823 -0.022 0.000 0.991 1153 V HN 0.663 nan 8.190 nan 0.000 0.460 1154 S N 2.049 117.787 115.700 0.064 0.000 2.503 1154 S HA 0.142 4.612 4.470 0.001 0.000 0.215 1154 S C 0.425 175.058 174.600 0.054 0.000 1.003 1154 S CA -0.042 58.210 58.200 0.086 0.000 0.910 1154 S CB 0.288 63.647 63.200 0.266 0.000 0.790 1154 S HN 0.696 nan 8.310 nan 0.000 0.514 1155 C N 1.078 120.406 119.300 0.048 0.000 3.171 1155 C HA 0.739 5.200 4.460 0.001 0.000 0.336 1155 C C -1.756 173.269 174.990 0.060 0.000 1.198 1155 C CA -0.230 58.823 59.018 0.059 0.000 1.319 1155 C CB 1.077 28.869 27.740 0.087 0.000 1.682 1155 C HN 0.762 nan 8.230 nan 0.000 0.497 1156 V N 3.609 123.555 119.914 0.053 0.000 2.711 1156 V HA 0.820 4.941 4.120 0.001 0.000 0.304 1156 V C -1.068 175.044 176.094 0.030 0.000 1.097 1156 V CA -0.569 61.749 62.300 0.029 0.000 0.906 1156 V CB 1.692 33.502 31.823 -0.021 0.000 1.015 1156 V HN 0.930 nan 8.190 nan 0.000 0.427 1157 R N 2.962 123.477 120.500 0.026 0.000 2.725 1157 R HA 0.618 4.959 4.340 0.001 0.000 0.277 1157 R C -1.531 174.789 176.300 0.034 0.000 0.987 1157 R CA -0.592 55.560 56.100 0.087 0.000 0.901 1157 R CB 2.416 32.813 30.300 0.162 0.000 1.207 1157 R HN 0.772 nan 8.270 nan 0.000 0.463 1158 F N 0.894 120.926 119.950 0.136 0.000 2.384 1158 F HA 0.183 4.711 4.527 0.001 0.000 0.338 1158 F C 1.260 177.129 175.800 0.114 0.000 1.103 1158 F CA 0.146 58.222 58.000 0.125 0.000 1.157 1158 F CB 1.171 40.246 39.000 0.125 0.000 1.167 1158 F HN 0.378 nan 8.300 nan 0.000 0.529 1159 S N 2.896 118.768 115.700 0.287 0.000 2.513 1159 S HA 0.310 4.781 4.470 0.001 0.000 0.276 1159 S C -2.102 172.606 174.600 0.180 0.000 1.254 1159 S CA -1.252 57.060 58.200 0.186 0.000 1.053 1159 S CB 1.413 64.691 63.200 0.131 0.000 0.958 1159 S HN 0.374 nan 8.310 nan 0.000 0.491 1160 P HA -0.071 nan 4.420 nan 0.000 0.223 1160 P C 0.194 177.538 177.300 0.073 0.000 1.144 1160 P CA 0.659 63.816 63.100 0.094 0.000 0.783 1160 P CB -0.045 31.695 31.700 0.067 0.000 0.771 1161 N N 0.275 119.019 118.700 0.073 0.000 2.427 1161 N HA -0.032 4.709 4.740 0.001 0.000 0.269 1161 N C 1.037 176.586 175.510 0.065 0.000 1.235 1161 N CA 0.612 53.697 53.050 0.058 0.000 0.934 1161 N CB 0.553 39.071 38.487 0.052 0.000 1.121 1161 N HN 0.058 nan 8.380 nan 0.000 0.480 1162 T N 0.012 114.595 114.554 0.049 0.000 3.085 1162 T HA -0.011 4.339 4.350 0.001 0.000 0.263 1162 T C 2.281 177.005 174.700 0.041 0.000 1.127 1162 T CA 1.005 63.132 62.100 0.044 0.000 1.103 1162 T CB -0.366 68.519 68.868 0.029 0.000 0.921 1162 T HN 0.264 nan 8.240 nan 0.000 0.510 1163 L N 0.085 121.331 121.223 0.038 0.000 2.044 1163 L HA 0.598 4.939 4.340 0.001 0.000 0.205 1163 L C 2.192 179.084 176.870 0.037 0.000 1.075 1163 L CA 1.695 56.554 54.840 0.033 0.000 0.747 1163 L CB -1.894 40.181 42.059 0.027 0.000 0.903 1163 L HN 0.780 nan 8.230 nan 0.000 0.435 1164 Q N 1.470 121.297 119.800 0.045 0.000 2.607 1164 Q HA 0.540 4.881 4.340 0.001 0.000 0.247 1164 Q C -2.631 173.413 176.000 0.073 0.000 1.033 1164 Q CA -1.535 54.298 55.803 0.049 0.000 0.769 1164 Q CB -0.307 28.454 28.738 0.038 0.000 1.169 1164 Q HN 0.649 nan 8.270 nan 0.000 0.508 1165 P HA 0.036 nan 4.420 nan 0.000 0.255 1165 P C -0.242 177.144 177.300 0.143 0.000 1.173 1165 P CA 1.127 64.306 63.100 0.132 0.000 0.780 1165 P CB 0.150 31.923 31.700 0.122 0.000 0.758 1166 T N 1.786 116.444 114.554 0.173 0.000 2.868 1166 T HA 0.768 5.119 4.350 0.001 0.000 0.306 1166 T C -0.167 174.606 174.700 0.122 0.000 1.224 1166 T CA -0.950 61.235 62.100 0.142 0.000 1.012 1166 T CB 1.581 70.507 68.868 0.097 0.000 1.221 1166 T HN 0.403 nan 8.240 nan 0.000 0.499 1167 I N -0.642 119.977 120.570 0.081 0.000 2.730 1167 I HA 0.893 5.064 4.170 0.001 0.000 0.298 1167 I C -1.374 174.842 176.117 0.165 0.000 1.089 1167 I CA -1.500 59.785 61.300 -0.024 0.000 1.041 1167 I CB 2.212 40.025 38.000 -0.311 0.000 1.235 1167 I HN 0.497 nan 8.210 nan 0.000 0.423 1168 V N 3.186 123.173 119.914 0.122 0.000 2.769 1168 V HA 0.725 4.846 4.120 0.001 0.000 0.312 1168 V C 0.051 176.265 176.094 0.199 0.000 1.058 1168 V CA -0.359 62.038 62.300 0.163 0.000 0.952 1168 V CB 1.964 33.837 31.823 0.084 0.000 1.019 1168 V HN 0.973 nan 8.190 nan 0.000 0.445 1169 S N 1.763 117.628 115.700 0.275 0.000 2.547 1169 S HA 0.882 5.352 4.470 0.001 0.000 0.281 1169 S C -0.569 174.146 174.600 0.192 0.000 1.118 1169 S CA -0.412 57.953 58.200 0.275 0.000 0.947 1169 S CB 1.805 65.295 63.200 0.483 0.000 1.053 1169 S HN 1.317 nan 8.310 nan 0.000 0.482 1170 A N 1.698 124.566 122.820 0.080 0.000 2.279 1170 A HA 0.919 5.240 4.320 0.001 0.000 0.303 1170 A C 0.183 177.715 177.584 -0.087 0.000 1.108 1170 A CA -0.677 51.379 52.037 0.032 0.000 0.830 1170 A CB 1.233 20.271 19.000 0.064 0.000 1.106 1170 A HN 1.402 nan 8.150 nan 0.000 0.493 1171 S N -0.816 114.849 115.700 -0.059 0.000 2.547 1171 S HA 0.436 4.906 4.470 0.001 0.000 0.270 1171 S C -1.080 173.624 174.600 0.172 0.000 1.150 1171 S CA -0.484 57.685 58.200 -0.052 0.000 0.850 1171 S CB 0.435 63.353 63.200 -0.471 0.000 1.118 1171 S HN 0.625 nan 8.310 nan 0.000 0.461 1172 W N 1.994 123.280 121.300 -0.022 0.000 3.077 1172 W HA 0.154 4.814 4.660 0.001 0.000 0.245 1172 W C 1.235 177.741 176.519 -0.022 0.000 1.316 1172 W CA 0.282 57.620 57.345 -0.010 0.000 1.537 1172 W CB -0.179 29.168 29.460 -0.188 0.000 1.131 1172 W HN 0.799 nan 8.180 nan 0.000 0.695 1173 D N -0.463 120.037 120.400 0.165 0.000 2.325 1173 D HA -0.046 4.595 4.640 0.001 0.000 0.234 1173 D C 0.789 177.153 176.300 0.106 0.000 1.122 1173 D CA 0.165 54.241 54.000 0.127 0.000 0.850 1173 D CB -0.602 40.300 40.800 0.170 0.000 0.921 1173 D HN 0.151 nan 8.370 nan 0.000 0.513 1174 K N -1.485 118.962 120.400 0.078 0.000 3.495 1174 K HA -0.217 4.103 4.320 0.001 0.000 0.315 1174 K C 0.487 177.159 176.600 0.120 0.000 1.301 1174 K CA 1.510 57.835 56.287 0.065 0.000 0.985 1174 K CB -2.502 30.032 32.500 0.056 0.000 1.244 1174 K HN 0.585 nan 8.250 nan 0.000 0.433 1175 T N -2.462 112.171 114.554 0.131 0.000 2.922 1175 T HA 0.690 5.040 4.350 0.001 0.000 0.281 1175 T C 0.036 174.814 174.700 0.131 0.000 1.005 1175 T CA -0.809 61.369 62.100 0.130 0.000 0.982 1175 T CB 2.303 71.250 68.868 0.132 0.000 1.158 1175 T HN -0.042 nan 8.240 nan 0.000 0.566 1176 V N 0.958 120.889 119.914 0.029 0.000 2.709 1176 V HA 0.603 4.724 4.120 0.001 0.000 0.308 1176 V C -0.592 175.456 176.094 -0.076 0.000 1.062 1176 V CA -0.921 61.367 62.300 -0.019 0.000 0.901 1176 V CB 2.106 33.764 31.823 -0.275 0.000 1.003 1176 V HN 0.932 nan 8.190 nan 0.000 0.425 1177 K N 2.695 123.116 120.400 0.035 0.000 2.371 1177 K HA 0.791 5.112 4.320 0.001 0.000 0.251 1177 K C -1.524 174.892 176.600 -0.307 0.000 0.934 1177 K CA -0.740 55.407 56.287 -0.232 0.000 0.798 1177 K CB 2.754 35.084 32.500 -0.284 0.000 1.204 1177 K HN 0.423 nan 8.250 nan 0.000 0.427 1178 V N 2.150 121.726 119.914 -0.564 0.000 2.483 1178 V HA 0.476 4.597 4.120 0.001 0.000 0.295 1178 V C -1.147 174.583 176.094 -0.607 0.000 1.035 1178 V CA -0.807 61.274 62.300 -0.364 0.000 0.896 1178 V CB 0.723 32.405 31.823 -0.235 0.000 0.986 1178 V HN 0.677 nan 8.190 nan 0.000 0.447 1179 W N 1.813 123.078 121.300 -0.059 0.000 2.844 1179 W HA 0.479 5.139 4.660 0.001 0.000 0.340 1179 W C 0.028 176.520 176.519 -0.046 0.000 1.093 1179 W CA -0.679 56.630 57.345 -0.060 0.000 1.212 1179 W CB 1.007 30.425 29.460 -0.070 0.000 1.422 1179 W HN 0.400 nan 8.180 nan 0.000 0.515 1180 N N 1.875 120.683 118.700 0.179 0.000 2.411 1180 N HA 0.188 4.928 4.740 0.001 0.000 0.259 1180 N C 0.730 176.299 175.510 0.098 0.000 1.103 1180 N CA 0.073 53.183 53.050 0.100 0.000 0.954 1180 N CB 1.489 40.008 38.487 0.053 0.000 1.085 1180 N HN 0.685 nan 8.380 nan 0.000 0.485 1181 L N 2.614 123.895 121.223 0.097 0.000 2.376 1181 L HA -0.013 4.327 4.340 0.001 0.000 0.219 1181 L C 2.345 179.236 176.870 0.035 0.000 1.133 1181 L CA 1.488 56.378 54.840 0.084 0.000 0.816 1181 L CB -1.227 40.938 42.059 0.177 0.000 0.933 1181 L HN 0.635 nan 8.230 nan 0.000 0.449 1182 S N 1.259 116.976 115.700 0.030 0.000 2.335 1182 S HA -0.137 4.334 4.470 0.001 0.000 0.217 1182 S C 1.828 176.406 174.600 -0.036 0.000 1.032 1182 S CA 1.491 59.695 58.200 0.008 0.000 0.985 1182 S CB -0.357 62.853 63.200 0.017 0.000 0.896 1182 S HN 0.991 nan 8.310 nan 0.000 0.445 1183 N N -0.029 118.645 118.700 -0.043 0.000 2.205 1183 N HA 0.090 4.831 4.740 0.001 0.000 0.201 1183 N C 0.172 175.582 175.510 -0.166 0.000 1.128 1183 N CA 0.303 53.305 53.050 -0.079 0.000 0.867 1183 N CB -0.783 37.688 38.487 -0.027 0.000 0.996 1183 N HN 0.336 nan 8.380 nan 0.000 0.503 1184 C N -0.733 118.471 119.300 -0.160 0.000 4.297 1184 C HA -0.133 4.328 4.460 0.001 0.000 0.290 1184 C C 0.947 175.958 174.990 0.035 0.000 1.444 1184 C CA 0.951 59.841 59.018 -0.212 0.000 1.982 1184 C CB -2.971 24.277 27.740 -0.821 0.000 1.276 1184 C HN 0.860 nan 8.230 nan 0.000 0.797 1185 K N -0.440 120.016 120.400 0.094 0.000 2.174 1185 K HA 0.685 5.005 4.320 0.001 0.000 0.275 1185 K C -0.224 176.488 176.600 0.186 0.000 1.015 1185 K CA -0.192 56.184 56.287 0.149 0.000 0.933 1185 K CB 0.481 33.014 32.500 0.056 0.000 1.025 1185 K HN 0.817 nan 8.250 nan 0.000 0.463 1186 L N 2.653 123.934 121.223 0.098 0.000 2.534 1186 L HA 0.150 4.491 4.340 0.001 0.000 0.271 1186 L C 1.406 178.086 176.870 -0.318 0.000 1.178 1186 L CA 0.428 55.036 54.840 -0.387 0.000 0.907 1186 L CB 0.194 41.964 42.059 -0.481 0.000 1.164 1186 L HN 0.839 nan 8.230 nan 0.000 0.482 1187 R N 2.343 122.609 120.500 -0.390 0.000 2.052 1187 R HA 0.136 4.476 4.340 0.001 0.000 0.226 1187 R C -0.002 176.139 176.300 -0.264 0.000 1.145 1187 R CA 1.239 57.191 56.100 -0.246 0.000 0.952 1187 R CB 0.004 30.184 30.300 -0.201 0.000 0.847 1187 R HN 0.871 nan 8.270 nan 0.000 0.431 1188 S N -1.206 114.275 115.700 -0.364 0.000 2.547 1188 S HA 0.308 4.778 4.470 0.001 0.000 0.270 1188 S C -0.888 173.490 174.600 -0.371 0.000 1.150 1188 S CA -1.048 56.972 58.200 -0.300 0.000 0.850 1188 S CB 2.499 65.576 63.200 -0.205 0.000 1.118 1188 S HN -0.031 nan 8.310 nan 0.000 0.461 1189 T N 2.429 116.813 114.554 -0.282 0.000 2.771 1189 T HA 0.528 4.878 4.350 0.001 0.000 0.281 1189 T C -0.557 174.001 174.700 -0.236 0.000 0.982 1189 T CA -0.547 61.398 62.100 -0.257 0.000 0.978 1189 T CB 0.365 69.127 68.868 -0.178 0.000 0.930 1189 T HN 0.537 nan 8.240 nan 0.000 0.447 1190 L N 3.236 124.255 121.223 -0.340 0.000 2.264 1190 L HA 0.664 5.004 4.340 0.001 0.000 0.287 1190 L C 0.423 177.119 176.870 -0.291 0.000 1.039 1190 L CA -0.878 53.647 54.840 -0.524 0.000 0.829 1190 L CB 0.789 42.050 42.059 -1.329 0.000 1.211 1190 L HN 0.651 nan 8.230 nan 0.000 0.427 1191 A N 1.991 124.806 122.820 -0.008 0.000 2.312 1191 A HA 0.846 5.167 4.320 0.001 0.000 0.328 1191 A C 0.770 178.540 177.584 0.310 0.000 1.158 1191 A CA 0.318 52.431 52.037 0.126 0.000 0.821 1191 A CB 1.387 20.430 19.000 0.073 0.000 1.170 1191 A HN 0.881 nan 8.150 nan 0.000 0.490 1192 G N 0.132 109.064 108.800 0.220 0.000 4.511 1192 G HA2 0.085 4.046 3.960 0.001 0.000 0.220 1192 G HA3 0.085 4.046 3.960 0.001 0.000 0.220 1192 G C -0.137 174.685 174.900 -0.131 0.000 0.733 1192 G CA -0.361 44.774 45.100 0.058 0.000 0.897 1192 G HN 0.725 nan 8.290 nan 0.000 0.691 1193 H N 0.976 120.112 119.070 0.110 0.000 2.472 1193 H HA 0.494 5.050 4.556 0.001 0.000 0.338 1193 H C 1.142 176.458 175.328 -0.019 0.000 1.133 1193 H CA 0.706 56.769 56.048 0.025 0.000 1.216 1193 H CB 2.045 31.824 29.762 0.028 0.000 1.497 1193 H HN 0.154 nan 8.280 nan 0.000 0.500 1194 T N -0.458 114.139 114.554 0.071 0.000 3.086 1194 T HA 0.276 4.627 4.350 0.001 0.000 0.250 1194 T C 0.940 175.605 174.700 -0.060 0.000 1.074 1194 T CA 0.132 62.231 62.100 -0.002 0.000 0.988 1194 T CB 0.349 69.202 68.868 -0.025 0.000 0.988 1194 T HN 0.575 nan 8.240 nan 0.000 0.530 1195 G N 0.527 109.259 108.800 -0.114 0.000 3.022 1195 G HA2 0.549 4.510 3.960 0.001 0.000 0.284 1195 G HA3 0.549 4.510 3.960 0.001 0.000 0.284 1195 G C -1.126 173.571 174.900 -0.338 0.000 1.375 1195 G CA -1.240 43.690 45.100 -0.284 0.000 0.902 1195 G HN 0.401 nan 8.290 nan 0.000 0.538 1196 Y N -0.570 119.455 120.300 -0.458 0.000 2.578 1196 Y HA 0.500 5.050 4.550 0.001 0.000 0.339 1196 Y C -0.091 175.470 175.900 -0.565 0.000 1.231 1196 Y CA -1.393 56.310 58.100 -0.661 0.000 1.461 1196 Y CB 0.476 37.980 38.460 -1.593 0.000 1.323 1196 Y HN 0.167 nan 8.280 nan 0.000 0.590 1197 V N 4.008 123.810 119.914 -0.186 0.000 2.328 1197 V HA 0.171 4.291 4.120 0.001 0.000 0.278 1197 V C 0.635 176.728 176.094 -0.001 0.000 1.021 1197 V CA 0.147 62.335 62.300 -0.188 0.000 0.838 1197 V CB 0.629 32.363 31.823 -0.149 0.000 0.999 1197 V HN 1.018 nan 8.190 nan 0.000 0.447 1198 S N 2.069 117.797 115.700 0.048 0.000 2.517 1198 S HA 0.145 4.616 4.470 0.001 0.000 0.214 1198 S C 0.699 175.365 174.600 0.109 0.000 0.991 1198 S CA 0.351 58.637 58.200 0.144 0.000 0.906 1198 S CB 0.439 63.727 63.200 0.147 0.000 0.789 1198 S HN 0.742 nan 8.310 nan 0.000 0.513 1199 T N 0.363 114.960 114.554 0.072 0.000 2.889 1199 T HA 0.622 4.973 4.350 0.001 0.000 0.315 1199 T C -2.094 172.669 174.700 0.106 0.000 1.291 1199 T CA -0.463 61.693 62.100 0.095 0.000 1.028 1199 T CB 1.892 70.822 68.868 0.103 0.000 1.235 1199 T HN 0.077 nan 8.240 nan 0.000 0.491 1200 V N 2.237 122.232 119.914 0.135 0.000 2.851 1200 V HA 0.885 5.006 4.120 0.001 0.000 0.307 1200 V C -0.294 175.925 176.094 0.209 0.000 1.129 1200 V CA -0.688 61.714 62.300 0.171 0.000 0.932 1200 V CB 1.630 33.542 31.823 0.148 0.000 1.024 1200 V HN 1.271 nan 8.190 nan 0.000 0.426 1201 A N 3.722 126.710 122.820 0.281 0.000 2.413 1201 A HA 0.971 5.291 4.320 0.001 0.000 0.307 1201 A C -1.265 176.638 177.584 0.532 0.000 1.087 1201 A CA -0.669 51.599 52.037 0.384 0.000 0.750 1201 A CB 2.119 21.337 19.000 0.363 0.000 1.296 1201 A HN 0.746 nan 8.150 nan 0.000 0.423 1202 V N 2.041 122.214 119.914 0.431 0.000 2.487 1202 V HA 0.455 4.575 4.120 0.001 0.000 0.298 1202 V C 0.663 176.711 176.094 -0.076 0.000 1.028 1202 V CA -0.345 62.076 62.300 0.201 0.000 0.860 1202 V CB 1.669 33.581 31.823 0.148 0.000 0.991 1202 V HN 1.180 nan 8.190 nan 0.000 0.427 1203 S N 6.252 121.552 115.700 -0.667 0.000 2.559 1203 S HA 0.107 4.577 4.470 0.001 0.000 0.282 1203 S C -1.133 173.305 174.600 -0.271 0.000 1.336 1203 S CA -0.339 57.310 58.200 -0.919 0.000 1.037 1203 S CB 0.356 63.066 63.200 -0.816 0.000 0.853 1203 S HN 0.701 nan 8.310 nan 0.000 0.523 1204 P HA -0.118 nan 4.420 nan 0.000 0.222 1204 P C 0.670 177.951 177.300 -0.031 0.000 1.147 1204 P CA 1.291 64.372 63.100 -0.032 0.000 0.790 1204 P CB -0.100 31.595 31.700 -0.010 0.000 0.780 1205 D N -1.524 118.839 120.400 -0.062 0.000 2.354 1205 D HA 0.041 4.682 4.640 0.001 0.000 0.209 1205 D C 1.422 177.711 176.300 -0.018 0.000 1.015 1205 D CA 0.823 54.806 54.000 -0.029 0.000 0.867 1205 D CB -0.639 40.147 40.800 -0.023 0.000 0.933 1205 D HN 0.221 nan 8.370 nan 0.000 0.520 1206 G N 0.927 109.703 108.800 -0.040 0.000 2.136 1206 G HA2 -0.338 3.622 3.960 0.001 0.000 0.242 1206 G HA3 -0.338 3.622 3.960 0.001 0.000 0.242 1206 G C 0.991 175.887 174.900 -0.006 0.000 0.989 1206 G CA 0.869 45.964 45.100 -0.008 0.000 0.682 1206 G HN 0.588 nan 8.290 nan 0.000 0.522 1207 S N -1.261 114.422 115.700 -0.028 0.000 2.468 1207 S HA 0.539 5.010 4.470 0.001 0.000 0.226 1207 S C 1.120 175.725 174.600 0.007 0.000 1.051 1207 S CA 0.483 58.683 58.200 -0.001 0.000 0.943 1207 S CB 0.318 63.524 63.200 0.009 0.000 0.810 1207 S HN 0.536 nan 8.310 nan 0.000 0.509 1208 L N 0.583 121.780 121.223 -0.043 0.000 2.365 1208 L HA 0.698 5.038 4.340 0.001 0.000 0.267 1208 L C -0.494 176.410 176.870 0.056 0.000 1.033 1208 L CA -1.094 53.751 54.840 0.008 0.000 0.802 1208 L CB 1.771 43.825 42.059 -0.008 0.000 1.267 1208 L HN 0.364 nan 8.230 nan 0.000 0.457 1209 C N 1.257 120.713 119.300 0.260 0.000 2.832 1209 C HA 0.760 5.221 4.460 0.001 0.000 0.383 1209 C C -0.464 174.848 174.990 0.538 0.000 1.046 1209 C CA -0.472 58.777 59.018 0.385 0.000 1.242 1209 C CB 0.414 28.313 27.740 0.266 0.000 1.693 1209 C HN 0.900 nan 8.230 nan 0.000 0.497 1210 A N 4.615 127.763 122.820 0.545 0.000 2.305 1210 A HA 0.918 5.239 4.320 0.001 0.000 0.322 1210 A C 0.057 177.844 177.584 0.339 0.000 1.187 1210 A CA 0.111 52.354 52.037 0.343 0.000 0.825 1210 A CB 0.974 20.029 19.000 0.093 0.000 1.164 1210 A HN 1.891 nan 8.150 nan 0.000 0.498 1211 S N 0.874 116.806 115.700 0.386 0.000 2.568 1211 S HA 0.945 5.416 4.470 0.001 0.000 0.293 1211 S C -0.223 174.523 174.600 0.244 0.000 1.089 1211 S CA -0.139 58.284 58.200 0.372 0.000 0.945 1211 S CB 1.855 65.430 63.200 0.625 0.000 1.077 1211 S HN 2.072 nan 8.310 nan 0.000 0.485 1212 G N -0.806 108.001 108.800 0.012 0.000 2.601 1212 G HA2 0.780 4.740 3.960 0.001 0.000 0.291 1212 G HA3 0.780 4.740 3.960 0.001 0.000 0.291 1212 G C -0.354 174.417 174.900 -0.215 0.000 1.456 1212 G CA -0.095 44.939 45.100 -0.110 0.000 0.804 1212 G HN 1.541 nan 8.290 nan 0.000 0.499 1213 G N -0.152 108.489 108.800 -0.266 0.000 2.725 1213 G HA2 0.440 4.400 3.960 0.001 0.000 0.098 1213 G HA3 0.440 4.400 3.960 0.001 0.000 0.098 1213 G C 0.895 175.523 174.900 -0.454 0.000 1.188 1213 G CA 0.829 45.754 45.100 -0.292 0.000 1.237 1213 G HN 0.947 nan 8.290 nan 0.000 0.596 1214 K N 1.014 120.800 120.400 -1.024 0.000 2.032 1214 K HA -0.093 4.228 4.320 0.001 0.000 0.209 1214 K C 1.777 178.087 176.600 -0.483 0.000 1.048 1214 K CA 2.741 58.390 56.287 -1.063 0.000 0.927 1214 K CB -0.731 30.712 32.500 -1.762 0.000 0.712 1214 K HN 0.492 nan 8.250 nan 0.000 0.441 1215 D N -1.468 118.719 120.400 -0.356 0.000 2.371 1215 D HA 0.072 4.712 4.640 0.001 0.000 0.234 1215 D C 1.110 177.362 176.300 -0.079 0.000 1.049 1215 D CA 0.775 54.678 54.000 -0.162 0.000 0.907 1215 D CB -0.298 40.457 40.800 -0.075 0.000 0.891 1215 D HN 0.416 nan 8.370 nan 0.000 0.531 1216 G N -0.807 107.943 108.800 -0.083 0.000 2.196 1216 G HA2 -0.308 3.653 3.960 0.001 0.000 0.268 1216 G HA3 -0.308 3.653 3.960 0.001 0.000 0.268 1216 G C 0.290 175.207 174.900 0.028 0.000 0.975 1216 G CA 0.677 45.772 45.100 -0.009 0.000 0.648 1216 G HN 0.459 nan 8.290 nan 0.000 0.538 1217 V N 0.626 120.555 119.914 0.025 0.000 2.532 1217 V HA 0.607 4.728 4.120 0.001 0.000 0.295 1217 V C 0.606 176.725 176.094 0.040 0.000 1.041 1217 V CA -0.852 61.452 62.300 0.007 0.000 0.926 1217 V CB 1.992 33.799 31.823 -0.026 0.000 0.992 1217 V HN 0.235 nan 8.190 nan 0.000 0.457 1218 V N 5.898 125.752 119.914 -0.101 0.000 2.333 1218 V HA 0.373 4.493 4.120 0.001 0.000 0.274 1218 V C -0.040 175.933 176.094 -0.201 0.000 1.028 1218 V CA -0.356 61.874 62.300 -0.117 0.000 0.851 1218 V CB 1.081 32.713 31.823 -0.318 0.000 1.000 1218 V HN 0.608 nan 8.190 nan 0.000 0.456 1219 L N 5.846 126.993 121.223 -0.127 0.000 2.275 1219 L HA 0.518 4.859 4.340 0.001 0.000 0.288 1219 L C -0.298 176.241 176.870 -0.551 0.000 1.046 1219 L CA -0.318 54.227 54.840 -0.491 0.000 0.805 1219 L CB 1.532 43.145 42.059 -0.743 0.000 1.193 1219 L HN 0.507 nan 8.230 nan 0.000 0.426 1220 L N 3.578 124.362 121.223 -0.733 0.000 2.272 1220 L HA 0.440 4.781 4.340 0.001 0.000 0.289 1220 L C -1.157 175.330 176.870 -0.638 0.000 1.032 1220 L CA -0.237 54.270 54.840 -0.555 0.000 0.810 1220 L CB 0.760 42.366 42.059 -0.754 0.000 1.205 1220 L HN 0.486 nan 8.230 nan 0.000 0.422 1221 W N 2.850 124.076 121.300 -0.123 0.000 2.655 1221 W HA 0.360 5.020 4.660 0.001 0.000 0.358 1221 W C -0.279 176.203 176.519 -0.062 0.000 1.100 1221 W CA -0.699 56.590 57.345 -0.093 0.000 1.195 1221 W CB 0.604 30.038 29.460 -0.043 0.000 1.403 1221 W HN 0.339 nan 8.180 nan 0.000 0.589 1222 D N 1.756 122.275 120.400 0.197 0.000 2.499 1222 D HA 0.161 4.802 4.640 0.001 0.000 0.225 1222 D C 1.095 177.458 176.300 0.104 0.000 1.124 1222 D CA -0.005 54.060 54.000 0.109 0.000 0.938 1222 D CB 0.416 41.258 40.800 0.071 0.000 1.014 1222 D HN 0.398 nan 8.370 nan 0.000 0.517 1223 L N 2.464 123.742 121.223 0.092 0.000 2.011 1223 L HA -0.348 3.993 4.340 0.001 0.000 0.225 1223 L C 2.298 179.186 176.870 0.029 0.000 1.084 1223 L CA 1.973 56.844 54.840 0.052 0.000 0.791 1223 L CB -0.612 41.472 42.059 0.042 0.000 0.898 1223 L HN 0.473 nan 8.230 nan 0.000 0.440 1224 A N -0.201 122.637 122.820 0.030 0.000 1.848 1224 A HA -0.351 3.970 4.320 0.001 0.000 0.217 1224 A C 2.369 179.963 177.584 0.016 0.000 1.220 1224 A CA 3.122 55.171 52.037 0.021 0.000 0.645 1224 A CB -1.304 17.710 19.000 0.023 0.000 0.842 1224 A HN 0.502 nan 8.150 nan 0.000 0.451 1225 E N -2.231 117.984 120.200 0.025 0.000 2.051 1225 E HA 0.214 4.564 4.350 0.001 0.000 0.192 1225 E C 2.075 178.688 176.600 0.021 0.000 0.991 1225 E CA 1.857 58.270 56.400 0.023 0.000 0.799 1225 E CB -1.283 28.436 29.700 0.030 0.000 0.748 1225 E HN 2.413 nan 8.360 nan 0.000 0.449 1226 G N -1.850 106.975 108.800 0.041 0.000 2.270 1226 G HA2 0.361 4.321 3.960 0.001 0.000 0.224 1226 G HA3 0.361 4.321 3.960 0.001 0.000 0.224 1226 G C 0.199 175.157 174.900 0.097 0.000 1.079 1226 G CA 1.050 46.171 45.100 0.035 0.000 0.807 1226 G HN 1.392 nan 8.290 nan 0.000 0.492 1227 K N -0.123 120.375 120.400 0.163 0.000 2.482 1227 K HA 0.900 5.220 4.320 0.001 0.000 0.257 1227 K C 0.233 176.964 176.600 0.219 0.000 0.969 1227 K CA -0.161 56.243 56.287 0.194 0.000 0.842 1227 K CB 1.148 33.700 32.500 0.087 0.000 1.359 1227 K HN 0.834 nan 8.250 nan 0.000 0.441 1228 K N 1.264 121.726 120.400 0.104 0.000 2.436 1228 K HA 0.216 4.536 4.320 0.001 0.000 0.275 1228 K C 0.010 176.475 176.600 -0.225 0.000 0.999 1228 K CA -0.004 56.111 56.287 -0.287 0.000 0.980 1228 K CB 0.216 32.468 32.500 -0.412 0.000 0.919 1228 K HN 0.579 nan 8.250 nan 0.000 0.484 1229 L N 3.549 124.548 121.223 -0.373 0.000 2.445 1229 L HA 0.176 4.516 4.340 0.001 0.000 0.207 1229 L C -0.255 176.541 176.870 -0.123 0.000 1.053 1229 L CA -0.116 54.579 54.840 -0.241 0.000 0.841 1229 L CB 0.094 41.932 42.059 -0.369 0.000 1.074 1229 L HN 0.809 nan 8.230 nan 0.000 0.479 1230 Y N -4.760 115.383 120.300 -0.262 0.000 2.932 1230 Y HA 0.449 5.000 4.550 0.001 0.000 0.384 1230 Y C -0.856 174.856 175.900 -0.312 0.000 1.193 1230 Y CA -1.488 56.465 58.100 -0.245 0.000 1.161 1230 Y CB 0.061 38.416 38.460 -0.175 0.000 1.500 1230 Y HN -0.319 nan 8.280 nan 0.000 0.463 1231 S N 0.616 116.295 115.700 -0.034 0.000 2.758 1231 S HA 0.852 5.323 4.470 0.001 0.000 0.292 1231 S C -1.177 173.336 174.600 -0.145 0.000 1.131 1231 S CA -0.919 57.184 58.200 -0.163 0.000 0.997 1231 S CB 1.169 64.272 63.200 -0.161 0.000 1.111 1231 S HN 0.569 nan 8.310 nan 0.000 0.552 1232 L N 1.903 122.947 121.223 -0.298 0.000 2.666 1232 L HA 0.317 4.658 4.340 0.001 0.000 0.258 1232 L C -0.938 175.717 176.870 -0.359 0.000 0.991 1232 L CA -0.476 54.042 54.840 -0.537 0.000 0.916 1232 L CB 1.606 42.962 42.059 -1.171 0.000 1.199 1232 L HN 0.517 nan 8.230 nan 0.000 0.439 1233 E N 1.639 121.782 120.200 -0.096 0.000 2.413 1233 E HA 0.360 4.710 4.350 0.001 0.000 0.263 1233 E C 0.443 177.197 176.600 0.256 0.000 1.015 1233 E CA 0.800 57.228 56.400 0.047 0.000 0.916 1233 E CB 1.648 31.379 29.700 0.052 0.000 0.947 1233 E HN 0.586 nan 8.360 nan 0.000 0.440 1234 A N 3.782 126.740 122.820 0.230 0.000 2.377 1234 A HA 0.157 4.477 4.320 0.001 0.000 0.209 1234 A C 0.445 178.126 177.584 0.161 0.000 1.359 1234 A CA 0.518 52.739 52.037 0.306 0.000 1.026 1234 A CB -0.265 18.955 19.000 0.367 0.000 1.224 1234 A HN 0.794 nan 8.150 nan 0.000 0.528 1235 N N -0.738 118.028 118.700 0.110 0.000 2.732 1235 N HA -0.151 4.589 4.740 0.001 0.000 0.250 1235 N C -0.052 175.531 175.510 0.121 0.000 1.097 1235 N CA 1.371 54.468 53.050 0.078 0.000 0.812 1235 N CB -1.261 37.254 38.487 0.046 0.000 1.148 1235 N HN 0.478 nan 8.380 nan 0.000 0.572 1236 S N -1.048 114.730 115.700 0.131 0.000 2.546 1236 S HA 0.611 5.081 4.470 0.001 0.000 0.274 1236 S C -0.404 174.218 174.600 0.036 0.000 1.121 1236 S CA -0.788 57.490 58.200 0.131 0.000 0.887 1236 S CB 1.412 64.725 63.200 0.188 0.000 1.094 1236 S HN 0.075 nan 8.310 nan 0.000 0.474 1237 V N 4.793 124.693 119.914 -0.024 0.000 2.540 1237 V HA 0.153 4.274 4.120 0.001 0.000 0.297 1237 V C -0.028 176.107 176.094 0.067 0.000 1.024 1237 V CA 0.149 62.435 62.300 -0.024 0.000 1.105 1237 V CB -0.344 31.467 31.823 -0.020 0.000 0.938 1237 V HN 0.654 nan 8.190 nan 0.000 0.482 1238 I N 5.158 125.761 120.570 0.054 0.000 2.428 1238 I HA 0.246 4.416 4.170 0.001 0.000 0.289 1238 I C 1.193 177.402 176.117 0.152 0.000 1.019 1238 I CA 0.427 61.796 61.300 0.115 0.000 1.351 1238 I CB 0.457 38.500 38.000 0.072 0.000 1.412 1238 I HN 0.610 nan 8.210 nan 0.000 0.513 1239 H N 4.125 123.214 119.070 0.031 0.000 3.017 1239 H HA 0.613 5.169 4.556 0.001 0.000 0.255 1239 H C 0.067 175.444 175.328 0.082 0.000 0.990 1239 H CA 0.157 56.253 56.048 0.079 0.000 1.205 1239 H CB 1.142 30.967 29.762 0.106 0.000 1.460 1239 H HN 0.674 nan 8.280 nan 0.000 0.478 1240 A N 0.952 123.880 122.820 0.179 0.000 2.612 1240 A HA 0.642 4.962 4.320 0.001 0.000 0.293 1240 A C -1.700 175.949 177.584 0.109 0.000 1.075 1240 A CA -0.535 51.580 52.037 0.130 0.000 0.680 1240 A CB 1.539 20.605 19.000 0.109 0.000 1.279 1240 A HN 0.098 nan 8.150 nan 0.000 0.411 1241 L N -0.326 120.963 121.223 0.110 0.000 2.409 1241 L HA 0.842 5.182 4.340 0.001 0.000 0.255 1241 L C -0.811 176.130 176.870 0.118 0.000 1.027 1241 L CA -0.696 54.198 54.840 0.090 0.000 0.834 1241 L CB 2.571 44.672 42.059 0.070 0.000 1.426 1241 L HN 1.466 nan 8.230 nan 0.000 0.411 1242 C N -0.929 118.423 119.300 0.086 0.000 3.274 1242 C HA 0.519 4.980 4.460 0.001 0.000 0.415 1242 C C -1.102 174.017 174.990 0.215 0.000 1.009 1242 C CA -1.195 57.960 59.018 0.230 0.000 1.163 1242 C CB -0.270 27.655 27.740 0.309 0.000 1.549 1242 C HN 0.534 nan 8.230 nan 0.000 0.599 1243 F N 2.141 122.288 119.950 0.329 0.000 2.378 1243 F HA 0.680 5.208 4.527 0.001 0.000 0.325 1243 F C 1.256 177.197 175.800 0.234 0.000 1.097 1243 F CA 0.298 58.472 58.000 0.290 0.000 1.079 1243 F CB 1.355 40.478 39.000 0.205 0.000 1.240 1243 F HN 0.874 nan 8.300 nan 0.000 0.519 1244 S N 1.655 117.490 115.700 0.225 0.000 2.580 1244 S HA 0.240 4.710 4.470 0.001 0.000 0.274 1244 S C -1.710 172.761 174.600 -0.216 0.000 1.329 1244 S CA -1.201 56.776 58.200 -0.372 0.000 1.036 1244 S CB 1.013 63.913 63.200 -0.500 0.000 0.919 1244 S HN 0.340 nan 8.310 nan 0.000 0.515 1245 P HA -0.033 nan 4.420 nan 0.000 0.218 1245 P C 0.065 177.250 177.300 -0.192 0.000 1.149 1245 P CA 1.186 64.211 63.100 -0.125 0.000 0.817 1245 P CB 0.113 31.775 31.700 -0.064 0.000 0.785 1246 N N -1.753 116.754 118.700 -0.321 0.000 2.830 1246 N HA 0.120 4.861 4.740 0.001 0.000 0.232 1246 N C 0.931 176.161 175.510 -0.466 0.000 1.062 1246 N CA -0.062 52.779 53.050 -0.348 0.000 1.204 1246 N CB -1.360 36.928 38.487 -0.332 0.000 1.589 1246 N HN -0.159 nan 8.380 nan 0.000 0.604 1247 R N 0.304 120.425 120.500 -0.631 0.000 2.678 1247 R HA -0.028 4.313 4.340 0.001 0.000 0.264 1247 R C -0.458 175.554 176.300 -0.481 0.000 0.995 1247 R CA 0.244 55.879 56.100 -0.776 0.000 1.098 1247 R CB -1.759 27.586 30.300 -1.592 0.000 0.949 1247 R HN 0.519 nan 8.270 nan 0.000 0.422 1248 Y N 1.452 121.650 120.300 -0.170 0.000 3.180 1248 Y HA 0.079 4.629 4.550 0.001 0.000 0.386 1248 Y C -0.360 175.781 175.900 0.401 0.000 1.054 1248 Y CA 0.129 58.301 58.100 0.121 0.000 2.020 1248 Y CB -0.381 38.164 38.460 0.143 0.000 2.171 1248 Y HN 0.551 nan 8.280 nan 0.000 0.415 1249 W N 1.070 122.499 121.300 0.215 0.000 2.570 1249 W HA 0.552 5.212 4.660 0.001 0.000 0.337 1249 W C -0.983 175.680 176.519 0.240 0.000 1.067 1249 W CA -1.829 55.640 57.345 0.206 0.000 1.229 1249 W CB 1.271 30.794 29.460 0.105 0.000 1.355 1249 W HN -0.186 nan 8.180 nan 0.000 0.555 1250 L N 3.767 125.243 121.223 0.423 0.000 2.376 1250 L HA 0.604 4.945 4.340 0.001 0.000 0.275 1250 L C -1.042 175.983 176.870 0.259 0.000 0.987 1250 L CA -0.608 54.338 54.840 0.176 0.000 0.828 1250 L CB 0.845 42.962 42.059 0.097 0.000 1.249 1250 L HN 0.415 nan 8.230 nan 0.000 0.409 1251 C N 3.774 123.193 119.300 0.199 0.000 2.376 1251 C HA 0.958 5.419 4.460 0.001 0.000 0.335 1251 C C 0.310 175.379 174.990 0.131 0.000 1.229 1251 C CA -0.733 58.380 59.018 0.157 0.000 1.867 1251 C CB 0.672 28.531 27.740 0.199 0.000 2.319 1251 C HN 0.988 nan 8.230 nan 0.000 0.515 1252 A N 1.510 124.387 122.820 0.095 0.000 2.353 1252 A HA 0.768 5.089 4.320 0.001 0.000 0.299 1252 A C -0.241 177.360 177.584 0.028 0.000 1.089 1252 A CA -0.254 51.861 52.037 0.129 0.000 0.736 1252 A CB 0.670 19.868 19.000 0.331 0.000 1.195 1252 A HN 1.373 nan 8.150 nan 0.000 0.447 1253 A N 2.790 125.631 122.820 0.035 0.000 2.410 1253 A HA 0.580 4.901 4.320 0.001 0.000 0.292 1253 A C 0.703 178.301 177.584 0.022 0.000 1.232 1253 A CA 0.591 52.624 52.037 -0.006 0.000 0.893 1253 A CB -0.759 18.245 19.000 0.008 0.000 1.131 1253 A HN 1.609 nan 8.150 nan 0.000 0.530 1254 T N -0.707 113.828 114.554 -0.031 0.000 2.930 1254 T HA 0.451 4.801 4.350 0.001 0.000 0.290 1254 T C 0.509 175.082 174.700 -0.211 0.000 1.052 1254 T CA -0.548 61.513 62.100 -0.066 0.000 1.017 1254 T CB 1.268 70.136 68.868 0.001 0.000 1.137 1254 T HN 0.539 nan 8.240 nan 0.000 0.511 1255 E N -0.316 119.619 120.200 -0.442 0.000 2.409 1255 E HA -0.097 4.253 4.350 0.001 0.000 0.198 1255 E C 0.368 176.706 176.600 -0.437 0.000 1.024 1255 E CA 0.670 56.648 56.400 -0.704 0.000 0.861 1255 E CB -0.047 29.107 29.700 -0.909 0.000 0.788 1255 E HN 0.537 nan 8.360 nan 0.000 0.521 1256 H N -0.363 118.668 119.070 -0.064 0.000 2.481 1256 H HA 0.353 4.910 4.556 0.001 0.000 0.273 1256 H C 0.521 175.833 175.328 -0.027 0.000 1.145 1256 H CA 0.527 56.562 56.048 -0.021 0.000 0.964 1256 H CB 0.455 30.201 29.762 -0.028 0.000 1.722 1256 H HN 0.174 nan 8.280 nan 0.000 0.573 1257 G N 0.533 109.374 108.800 0.069 0.000 2.541 1257 G HA2 -0.171 3.790 3.960 0.001 0.000 0.686 1257 G HA3 -0.171 3.790 3.960 0.001 0.000 0.686 1257 G C -0.669 174.186 174.900 -0.076 0.000 1.286 1257 G CA -0.951 44.155 45.100 0.010 0.000 0.894 1257 G HN 0.218 nan 8.290 nan 0.000 0.575 1258 I N 1.820 122.286 120.570 -0.173 0.000 2.269 1258 I HA 0.192 4.363 4.170 0.001 0.000 0.293 1258 I C 0.504 176.420 176.117 -0.335 0.000 1.106 1258 I CA -0.686 60.467 61.300 -0.246 0.000 1.248 1258 I CB 0.816 38.601 38.000 -0.358 0.000 1.444 1258 I HN 0.173 nan 8.210 nan 0.000 0.497 1259 K N 7.785 127.971 120.400 -0.356 0.000 2.322 1259 K HA 0.466 4.787 4.320 0.001 0.000 0.283 1259 K C -0.375 175.768 176.600 -0.762 0.000 1.042 1259 K CA -0.107 55.778 56.287 -0.671 0.000 0.958 1259 K CB 1.509 33.461 32.500 -0.914 0.000 0.984 1259 K HN 0.550 nan 8.250 nan 0.000 0.473 1260 I N 3.319 123.411 120.570 -0.797 0.000 2.448 1260 I HA 0.267 4.437 4.170 0.001 0.000 0.281 1260 I C -0.158 175.618 176.117 -0.568 0.000 1.027 1260 I CA -0.776 60.195 61.300 -0.549 0.000 1.111 1260 I CB 1.041 38.746 38.000 -0.491 0.000 1.236 1260 I HN 0.282 nan 8.210 nan 0.000 0.452 1261 W N 3.429 124.649 121.300 -0.133 0.000 2.436 1261 W HA 0.265 4.925 4.660 0.001 0.000 0.347 1261 W C -0.051 176.449 176.519 -0.032 0.000 1.136 1261 W CA -0.316 56.981 57.345 -0.080 0.000 1.286 1261 W CB 1.433 30.894 29.460 0.000 0.000 1.253 1261 W HN 0.407 nan 8.180 nan 0.000 0.617 1262 D N 1.343 121.902 120.400 0.265 0.000 2.412 1262 D HA 0.204 4.845 4.640 0.001 0.000 0.224 1262 D C 0.985 177.469 176.300 0.307 0.000 1.093 1262 D CA -0.192 54.012 54.000 0.340 0.000 0.850 1262 D CB 0.692 41.661 40.800 0.281 0.000 1.046 1262 D HN 0.228 nan 8.370 nan 0.000 0.507 1263 L N 2.637 124.084 121.223 0.373 0.000 2.556 1263 L HA -0.105 4.235 4.340 0.001 0.000 0.230 1263 L C 1.882 178.807 176.870 0.091 0.000 1.163 1263 L CA 0.944 55.956 54.840 0.287 0.000 0.819 1263 L CB -0.243 42.060 42.059 0.407 0.000 0.939 1263 L HN 0.608 nan 8.230 nan 0.000 0.452 1264 E N -0.037 120.192 120.200 0.047 0.000 2.079 1264 E HA -0.116 4.234 4.350 0.001 0.000 0.191 1264 E C 2.124 178.687 176.600 -0.062 0.000 0.961 1264 E CA 0.904 57.254 56.400 -0.085 0.000 0.823 1264 E CB 0.209 29.847 29.700 -0.103 0.000 0.789 1264 E HN 0.375 nan 8.360 nan 0.000 0.459 1265 S N -0.161 115.542 115.700 0.006 0.000 2.548 1265 S HA 0.132 4.603 4.470 0.001 0.000 0.215 1265 S C 0.636 175.222 174.600 -0.023 0.000 0.976 1265 S CA 0.087 58.283 58.200 -0.007 0.000 0.908 1265 S CB 0.024 63.246 63.200 0.036 0.000 0.781 1265 S HN 0.259 nan 8.310 nan 0.000 0.519 1266 K N 0.596 120.987 120.400 -0.015 0.000 3.069 1266 K HA -0.148 4.172 4.320 0.001 0.000 0.267 1266 K C -0.192 176.475 176.600 0.111 0.000 1.082 1266 K CA 0.782 57.051 56.287 -0.029 0.000 0.782 1266 K CB -2.003 30.365 32.500 -0.220 0.000 1.230 1266 K HN 0.491 nan 8.250 nan 0.000 0.488 1267 S N 0.169 115.967 115.700 0.163 0.000 2.578 1267 S HA 0.618 5.088 4.470 0.001 0.000 0.301 1267 S C 0.107 174.802 174.600 0.158 0.000 1.091 1267 S CA -0.953 57.346 58.200 0.165 0.000 1.032 1267 S CB 1.183 64.426 63.200 0.071 0.000 1.064 1267 S HN 0.259 nan 8.310 nan 0.000 0.508 1268 I N 3.831 124.417 120.570 0.028 0.000 2.529 1268 I HA 0.156 4.327 4.170 0.001 0.000 0.284 1268 I C 0.414 176.395 176.117 -0.226 0.000 1.082 1268 I CA -0.185 60.947 61.300 -0.279 0.000 1.406 1268 I CB 1.379 39.156 38.000 -0.373 0.000 1.405 1268 I HN 0.470 nan 8.210 nan 0.000 0.548 1269 V N 4.351 124.065 119.914 -0.333 0.000 3.556 1269 V HA 0.265 4.385 4.120 0.001 0.000 0.287 1269 V C 0.081 175.975 176.094 -0.334 0.000 1.422 1269 V CA 0.365 62.486 62.300 -0.298 0.000 1.038 1269 V CB -0.274 31.322 31.823 -0.380 0.000 0.850 1269 V HN 0.703 nan 8.190 nan 0.000 0.437 1270 E N 0.265 120.228 120.200 -0.396 0.000 2.400 1270 E HA 0.373 4.723 4.350 0.001 0.000 0.285 1270 E C -1.824 174.544 176.600 -0.387 0.000 1.005 1270 E CA -0.284 55.903 56.400 -0.354 0.000 0.816 1270 E CB 2.611 32.078 29.700 -0.387 0.000 1.220 1270 E HN 0.119 nan 8.360 nan 0.000 0.426 1271 D N 2.335 122.548 120.400 -0.312 0.000 2.381 1271 D HA 0.290 4.931 4.640 0.001 0.000 0.245 1271 D C -1.090 175.059 176.300 -0.251 0.000 1.297 1271 D CA -0.273 53.551 54.000 -0.293 0.000 0.931 1271 D CB 0.381 41.042 40.800 -0.231 0.000 1.334 1271 D HN 0.233 nan 8.370 nan 0.000 0.535 1272 L N 2.732 123.742 121.223 -0.354 0.000 2.315 1272 L HA 0.424 4.764 4.340 0.001 0.000 0.283 1272 L C 0.606 177.373 176.870 -0.171 0.000 1.089 1272 L CA -0.413 54.189 54.840 -0.396 0.000 0.833 1272 L CB 0.419 41.868 42.059 -1.016 0.000 1.170 1272 L HN -0.008 nan 8.230 nan 0.000 0.442 1273 K N 1.968 122.347 120.400 -0.035 0.000 2.210 1273 K HA 0.668 4.988 4.320 0.001 0.000 0.236 1273 K C -0.722 175.947 176.600 0.115 0.000 1.016 1273 K CA -0.632 55.689 56.287 0.056 0.000 0.913 1273 K CB 1.836 34.361 32.500 0.043 0.000 1.141 1273 K HN 0.202 nan 8.250 nan 0.000 0.462 1274 V N 0.992 120.954 119.914 0.081 0.000 2.483 1274 V HA 0.310 4.431 4.120 0.001 0.000 0.295 1274 V C -1.039 175.055 176.094 0.000 0.000 1.035 1274 V CA -0.588 61.718 62.300 0.010 0.000 0.896 1274 V CB 1.581 33.342 31.823 -0.104 0.000 0.986 1274 V HN 0.719 nan 8.190 nan 0.000 0.447 1275 D N 2.869 123.257 120.400 -0.020 0.000 2.473 1275 D HA 0.399 5.040 4.640 0.001 0.000 0.253 1275 D C 0.787 177.059 176.300 -0.046 0.000 1.233 1275 D CA -0.459 53.529 54.000 -0.019 0.000 0.908 1275 D CB 1.343 42.143 40.800 -0.001 0.000 1.170 1275 D HN 0.360 nan 8.370 nan 0.000 0.558 1276 L N 1.490 122.686 121.223 -0.044 0.000 2.261 1276 L HA -0.020 4.321 4.340 0.001 0.000 0.216 1276 L C 1.839 178.683 176.870 -0.043 0.000 1.114 1276 L CA 1.181 55.990 54.840 -0.051 0.000 0.777 1276 L CB -1.061 40.975 42.059 -0.038 0.000 0.910 1276 L HN 0.392 nan 8.230 nan 0.000 0.440 1295 V N 2.516 122.467 119.914 0.062 0.000 2.427 1295 V HA 0.749 4.869 4.120 0.001 0.000 0.268 1295 V C 0.260 176.401 176.094 0.078 0.000 1.046 1295 V CA -0.206 62.153 62.300 0.099 0.000 0.970 1295 V CB -0.128 31.779 31.823 0.140 0.000 1.001 1295 V HN 0.687 nan 8.190 nan 0.000 0.476 1296 I N 6.587 127.210 120.570 0.088 0.000 2.406 1296 I HA 0.723 4.894 4.170 0.001 0.000 0.290 1296 I C -0.495 175.738 176.117 0.195 0.000 0.999 1296 I CA -0.818 60.512 61.300 0.052 0.000 1.124 1296 I CB 1.515 39.535 38.000 0.035 0.000 1.289 1296 I HN 0.812 nan 8.210 nan 0.000 0.441 1297 Y N 4.243 124.631 120.300 0.148 0.000 2.597 1297 Y HA 0.531 5.082 4.550 0.001 0.000 0.340 1297 Y C -0.588 175.213 175.900 -0.164 0.000 1.097 1297 Y CA -1.815 56.340 58.100 0.091 0.000 1.037 1297 Y CB 0.491 38.880 38.460 -0.118 0.000 1.305 1297 Y HN 0.549 nan 8.280 nan 0.000 0.463 1298 C N 2.482 121.621 119.300 -0.268 0.000 2.637 1298 C HA 0.474 4.935 4.460 0.001 0.000 0.418 1298 C C 1.441 176.278 174.990 -0.256 0.000 1.319 1298 C CA 1.018 59.538 59.018 -0.829 0.000 1.949 1298 C CB -0.354 26.976 27.740 -0.684 0.000 2.639 1298 C HN 1.053 nan 8.230 nan 0.000 0.594 1299 T N 0.770 115.166 114.554 -0.262 0.000 2.959 1299 T HA 0.309 4.659 4.350 0.001 0.000 0.254 1299 T C 0.171 174.881 174.700 0.018 0.000 1.003 1299 T CA 0.453 62.541 62.100 -0.020 0.000 0.950 1299 T CB -0.173 68.680 68.868 -0.025 0.000 1.090 1299 T HN 0.999 nan 8.240 nan 0.000 0.503 1300 S N 1.433 117.094 115.700 -0.066 0.000 2.547 1300 S HA 0.773 5.244 4.470 0.001 0.000 0.270 1300 S C -1.443 173.141 174.600 -0.027 0.000 1.150 1300 S CA -1.189 57.007 58.200 -0.007 0.000 0.850 1300 S CB 2.086 65.294 63.200 0.014 0.000 1.118 1300 S HN 0.888 nan 8.310 nan 0.000 0.461 1301 L N -0.804 120.428 121.223 0.014 0.000 2.612 1301 L HA 0.863 5.204 4.340 0.001 0.000 0.256 1301 L C -1.892 174.998 176.870 0.033 0.000 0.949 1301 L CA -0.824 54.014 54.840 -0.003 0.000 0.867 1301 L CB 1.809 43.824 42.059 -0.074 0.000 1.417 1301 L HN 0.748 nan 8.230 nan 0.000 0.414 1302 N N 0.836 119.555 118.700 0.032 0.000 2.431 1302 N HA 0.551 5.292 4.740 0.001 0.000 0.275 1302 N C -1.886 173.711 175.510 0.145 0.000 1.091 1302 N CA -0.252 52.874 53.050 0.126 0.000 0.922 1302 N CB 1.861 40.456 38.487 0.181 0.000 1.666 1302 N HN 0.692 nan 8.380 nan 0.000 0.484 1303 W N 1.568 123.014 121.300 0.244 0.000 2.237 1303 W HA 0.335 4.996 4.660 0.001 0.000 0.335 1303 W C 0.923 177.607 176.519 0.276 0.000 1.230 1303 W CA -0.342 57.148 57.345 0.240 0.000 1.253 1303 W CB 0.678 30.253 29.460 0.192 0.000 1.129 1303 W HN 0.457 nan 8.180 nan 0.000 0.590 1304 S N 1.194 117.249 115.700 0.591 0.000 2.585 1304 S HA 0.377 4.848 4.470 0.001 0.000 0.273 1304 S C 1.061 175.866 174.600 0.341 0.000 1.339 1304 S CA -0.254 58.226 58.200 0.467 0.000 1.028 1304 S CB 1.371 64.845 63.200 0.458 0.000 0.906 1304 S HN 0.721 nan 8.310 nan 0.000 0.528 1305 A N 1.759 124.724 122.820 0.243 0.000 1.958 1305 A HA -0.211 4.109 4.320 0.001 0.000 0.221 1305 A C 1.624 179.283 177.584 0.125 0.000 1.178 1305 A CA 2.090 54.228 52.037 0.167 0.000 0.642 1305 A CB -1.359 17.715 19.000 0.124 0.000 0.816 1305 A HN 1.024 nan 8.150 nan 0.000 0.453 1306 D N -2.377 118.099 120.400 0.127 0.000 2.349 1306 D HA 0.306 4.947 4.640 0.001 0.000 0.224 1306 D C 1.157 177.481 176.300 0.040 0.000 1.029 1306 D CA 0.904 54.947 54.000 0.071 0.000 0.879 1306 D CB -0.696 40.148 40.800 0.072 0.000 0.906 1306 D HN 0.821 nan 8.370 nan 0.000 0.528 1307 G N 0.165 109.014 108.800 0.082 0.000 2.168 1307 G HA2 -0.378 3.583 3.960 0.001 0.000 0.263 1307 G HA3 -0.378 3.583 3.960 0.001 0.000 0.263 1307 G C 1.166 176.098 174.900 0.053 0.000 0.977 1307 G CA 0.934 46.006 45.100 -0.048 0.000 0.659 1307 G HN 0.725 nan 8.290 nan 0.000 0.533 1308 S N -1.503 114.314 115.700 0.195 0.000 2.501 1308 S HA 0.404 4.874 4.470 0.001 0.000 0.220 1308 S C 0.771 175.563 174.600 0.319 0.000 0.997 1308 S CA 1.290 59.621 58.200 0.217 0.000 0.919 1308 S CB 0.495 63.785 63.200 0.149 0.000 0.778 1308 S HN 0.743 nan 8.310 nan 0.000 0.523 1309 T N 2.323 117.108 114.554 0.384 0.000 2.916 1309 T HA 0.572 4.922 4.350 0.001 0.000 0.298 1309 T C -1.706 172.940 174.700 -0.091 0.000 1.031 1309 T CA -0.548 61.602 62.100 0.083 0.000 0.993 1309 T CB 1.859 70.612 68.868 -0.192 0.000 1.045 1309 T HN 0.174 nan 8.240 nan 0.000 0.454 1310 L N 3.762 124.692 121.223 -0.490 0.000 2.280 1310 L HA 0.674 5.015 4.340 0.001 0.000 0.287 1310 L C -1.544 175.031 176.870 -0.491 0.000 1.023 1310 L CA -0.663 53.708 54.840 -0.782 0.000 0.819 1310 L CB -0.155 41.218 42.059 -1.142 0.000 1.212 1310 L HN 0.529 nan 8.230 nan 0.000 0.420 1311 F N 3.041 122.889 119.950 -0.169 0.000 2.399 1311 F HA 0.701 5.229 4.527 0.001 0.000 0.334 1311 F C 0.526 176.293 175.800 -0.055 0.000 1.097 1311 F CA -0.110 57.821 58.000 -0.115 0.000 1.076 1311 F CB 1.890 40.833 39.000 -0.094 0.000 1.162 1311 F HN 0.573 nan 8.300 nan 0.000 0.495 1312 S N 0.680 116.482 115.700 0.171 0.000 2.566 1312 S HA 0.736 5.206 4.470 0.001 0.000 0.273 1312 S C -0.697 173.976 174.600 0.122 0.000 1.157 1312 S CA -0.989 57.292 58.200 0.135 0.000 0.938 1312 S CB 1.201 64.552 63.200 0.252 0.000 1.087 1312 S HN 0.949 nan 8.310 nan 0.000 0.474 1313 G N 1.294 110.087 108.800 -0.011 0.000 2.389 1313 G HA2 0.618 4.579 3.960 0.001 0.000 0.317 1313 G HA3 0.618 4.579 3.960 0.001 0.000 0.317 1313 G C -1.377 173.400 174.900 -0.205 0.000 1.137 1313 G CA -0.619 44.480 45.100 -0.002 0.000 0.870 1313 G HN 0.604 nan 8.290 nan 0.000 0.496 1314 Y N -0.738 119.532 120.300 -0.051 0.000 2.650 1314 Y HA 0.341 4.891 4.550 0.001 0.000 0.331 1314 Y C 2.055 177.845 175.900 -0.183 0.000 1.082 1314 Y CA -0.143 57.892 58.100 -0.108 0.000 1.171 1314 Y CB 2.106 40.518 38.460 -0.081 0.000 1.326 1314 Y HN 0.634 nan 8.280 nan 0.000 0.513 1315 T N -3.541 110.911 114.554 -0.170 0.000 3.007 1315 T HA -0.141 4.209 4.350 0.001 0.000 0.270 1315 T C 0.758 175.377 174.700 -0.136 0.000 1.107 1315 T CA 1.378 63.317 62.100 -0.268 0.000 1.118 1315 T CB -0.326 68.240 68.868 -0.504 0.000 0.889 1315 T HN 0.688 nan 8.240 nan 0.000 0.506 1316 D N 0.878 121.249 120.400 -0.049 0.000 2.328 1316 D HA 0.231 4.872 4.640 0.001 0.000 0.226 1316 D C 1.643 177.938 176.300 -0.007 0.000 1.066 1316 D CA 0.435 54.415 54.000 -0.034 0.000 0.861 1316 D CB -0.787 39.995 40.800 -0.029 0.000 0.912 1316 D HN 0.556 nan 8.370 nan 0.000 0.521 1317 G N -0.639 108.165 108.800 0.006 0.000 2.179 1317 G HA2 -0.261 3.700 3.960 0.001 0.000 0.260 1317 G HA3 -0.261 3.700 3.960 0.001 0.000 0.260 1317 G C 0.145 175.113 174.900 0.112 0.000 0.977 1317 G CA 0.292 45.425 45.100 0.056 0.000 0.641 1317 G HN 0.400 nan 8.290 nan 0.000 0.533 1318 V N 1.646 121.604 119.914 0.072 0.000 2.567 1318 V HA 0.560 4.680 4.120 0.001 0.000 0.289 1318 V C 0.832 176.962 176.094 0.060 0.000 1.049 1318 V CA -0.509 61.811 62.300 0.034 0.000 0.969 1318 V CB 1.738 33.532 31.823 -0.049 0.000 0.995 1318 V HN 0.283 nan 8.190 nan 0.000 0.471 1319 I N 5.431 125.979 120.570 -0.036 0.000 2.312 1319 I HA 0.435 4.605 4.170 0.001 0.000 0.290 1319 I C 0.247 176.270 176.117 -0.158 0.000 1.008 1319 I CA -0.364 60.899 61.300 -0.062 0.000 1.226 1319 I CB 0.922 38.779 38.000 -0.239 0.000 1.371 1319 I HN 0.500 nan 8.210 nan 0.000 0.468 1320 R N 5.393 125.832 120.500 -0.101 0.000 2.294 1320 R HA 0.549 4.890 4.340 0.001 0.000 0.319 1320 R C -0.945 174.986 176.300 -0.616 0.000 0.984 1320 R CA -0.751 55.097 56.100 -0.421 0.000 0.861 1320 R CB 2.022 32.017 30.300 -0.508 0.000 1.104 1320 R HN 0.329 nan 8.270 nan 0.000 0.451 1321 V N 3.693 123.118 119.914 -0.814 0.000 2.465 1321 V HA 0.314 4.434 4.120 0.001 0.000 0.279 1321 V C -0.562 174.953 176.094 -0.965 0.000 1.045 1321 V CA -0.516 61.229 62.300 -0.925 0.000 0.938 1321 V CB 0.615 31.717 31.823 -1.201 0.000 0.986 1321 V HN 0.655 nan 8.190 nan 0.000 0.467 1322 W N 2.495 123.505 121.300 -0.483 0.000 2.719 1322 W HA 0.856 5.516 4.660 0.001 0.000 0.352 1322 W C 0.425 176.801 176.519 -0.239 0.000 1.085 1322 W CA -0.162 57.000 57.345 -0.306 0.000 1.187 1322 W CB 2.135 31.445 29.460 -0.250 0.000 1.417 1322 W HN 0.950 nan 8.180 nan 0.000 0.557 1323 G N -1.134 107.769 108.800 0.171 0.000 2.320 1323 G HA2 0.451 4.411 3.960 0.001 0.000 0.297 1323 G HA3 0.451 4.411 3.960 0.001 0.000 0.297 1323 G C -1.438 173.561 174.900 0.166 0.000 1.344 1323 G CA -0.433 44.774 45.100 0.178 0.000 0.851 1323 G HN 0.963 nan 8.290 nan 0.000 0.567 1324 I N 0.000 120.671 120.570 0.168 0.000 2.984 1324 I HA 0.000 4.171 4.170 0.001 0.000 0.288 1324 I CA 0.000 61.384 61.300 0.140 0.000 1.566 1324 I CB 0.000 38.082 38.000 0.137 0.000 1.214 1324 I HN 0.000 nan 8.210 nan 0.000 0.494