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 1qfs_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSFQYPDVY RDETAIQDYH GHKVCDPYAW LEDPDSEQTK AFVEAQNKIT DATA SEQUENCE VPFLEQCPIR GLYKERMTEL YDYPKYSCHF KKGKRYFYFY NTGLQNQRVL DATA SEQUENCE YVQDSLEGEA RVFLDPNILS DDGTVALRGY AFSEDGEYFA YGLSASGSDW DATA SEQUENCE VTIKFMKVDG AKELPDVLER VKFSCMAWTH DGKGMFYNAY PQQDGKSDGT DATA SEQUENCE ETSTNLHQKL YYHVLGTDQS EDILCAEFPD EPKWMGGAEL SDDGRYVLLS DATA SEQUENCE IREGCDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYQFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTVKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGYGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGSNGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG DATA SEQUENCE CSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH DDRVVPLHSL DATA SEQUENCE KFIATLQYIV GRSRKQNNPL LIHVDTKAGH GAGKPTAKVI EEVSDMFAFI DATA SEQUENCE ARCLNIDWIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.032 0.000 1.140 1 M CA 0.000 55.322 55.300 0.036 0.000 0.988 1 M CB 0.000 32.645 32.600 0.075 0.000 1.302 2 L N 3.229 124.303 121.223 -0.248 0.000 2.415 2 L HA 0.161 4.502 4.340 0.001 0.000 0.269 2 L C 0.915 177.352 176.870 -0.722 0.000 1.244 2 L CA 0.464 54.834 54.840 -0.783 0.000 1.113 2 L CB -0.616 41.032 42.059 -0.684 0.000 1.352 2 L HN 0.393 nan 8.230 nan 0.000 0.433 3 S N 1.247 116.609 115.700 -0.563 0.000 2.596 3 S HA 0.471 4.942 4.470 0.001 0.000 0.248 3 S C -0.062 174.454 174.600 -0.141 0.000 1.162 3 S CA -0.677 57.374 58.200 -0.249 0.000 1.185 3 S CB -0.712 62.450 63.200 -0.063 0.000 0.833 3 S HN 0.296 nan 8.310 nan 0.000 0.472 4 F N -1.123 118.786 119.950 -0.068 0.000 2.754 4 F HA 0.744 5.272 4.527 0.001 0.000 0.320 4 F C -1.244 174.445 175.800 -0.184 0.000 1.156 4 F CA -1.433 56.508 58.000 -0.099 0.000 0.950 4 F CB 0.842 39.788 39.000 -0.091 0.000 1.388 4 F HN 0.157 nan 8.300 nan 0.000 0.485 5 Q N 0.380 120.312 119.800 0.221 0.000 2.323 5 Q HA 0.477 4.817 4.340 0.001 0.000 0.271 5 Q C -1.980 174.066 176.000 0.077 0.000 1.048 5 Q CA -0.858 54.984 55.803 0.065 0.000 0.792 5 Q CB 2.421 31.191 28.738 0.053 0.000 1.280 5 Q HN 0.792 nan 8.270 nan 0.000 0.441 6 Y N 1.871 122.277 120.300 0.176 0.000 2.578 6 Y HA 0.145 4.695 4.550 0.001 0.000 0.339 6 Y C -1.607 174.317 175.900 0.040 0.000 1.231 6 Y CA -1.363 56.773 58.100 0.060 0.000 1.461 6 Y CB 0.208 38.700 38.460 0.053 0.000 1.323 6 Y HN 0.498 nan 8.280 nan 0.000 0.590 7 P HA -0.022 nan 4.420 nan 0.000 0.267 7 P C -1.228 176.170 177.300 0.164 0.000 1.200 7 P CA -0.087 63.074 63.100 0.101 0.000 0.772 7 P CB 0.533 32.228 31.700 -0.008 0.000 0.855 8 D N 0.856 121.356 120.400 0.166 0.000 2.339 8 D HA 0.229 4.869 4.640 0.001 0.000 0.256 8 D C -0.456 176.006 176.300 0.270 0.000 1.214 8 D CA 0.266 54.389 54.000 0.205 0.000 0.877 8 D CB 0.259 41.158 40.800 0.166 0.000 1.111 8 D HN -0.038 nan 8.370 nan 0.000 0.478 9 V N 3.990 124.105 119.914 0.336 0.000 2.409 9 V HA 0.150 4.271 4.120 0.001 0.000 0.291 9 V C -0.485 175.915 176.094 0.509 0.000 1.020 9 V CA -1.044 61.552 62.300 0.492 0.000 0.848 9 V CB 0.876 32.983 31.823 0.473 0.000 0.990 9 V HN 0.452 nan 8.190 nan 0.000 0.430 10 Y N 5.763 126.299 120.300 0.393 0.000 2.511 10 Y HA 0.310 4.861 4.550 0.001 0.000 0.332 10 Y C 0.663 176.789 175.900 0.376 0.000 1.177 10 Y CA -0.061 58.169 58.100 0.217 0.000 1.422 10 Y CB 0.431 38.829 38.460 -0.104 0.000 1.271 10 Y HN 0.553 nan 8.280 nan 0.000 0.550 11 R N 4.560 124.682 120.500 -0.631 0.000 2.295 11 R HA 0.145 4.485 4.340 0.001 0.000 0.324 11 R C -1.251 174.511 176.300 -0.897 0.000 0.968 11 R CA -0.860 54.846 56.100 -0.655 0.000 0.837 11 R CB 0.775 30.701 30.300 -0.624 0.000 1.133 11 R HN 0.605 nan 8.270 nan 0.000 0.450 12 D N 2.966 123.096 120.400 -0.450 0.000 2.468 12 D HA 0.017 4.657 4.640 0.001 0.000 0.218 12 D C 0.513 176.701 176.300 -0.186 0.000 1.155 12 D CA -0.077 53.797 54.000 -0.210 0.000 0.924 12 D CB 0.806 41.678 40.800 0.120 0.000 1.029 12 D HN 0.397 nan 8.370 nan 0.000 0.515 13 E N 1.443 121.521 120.200 -0.203 0.000 2.472 13 E HA -0.101 4.249 4.350 0.001 0.000 0.200 13 E C 1.574 178.136 176.600 -0.064 0.000 1.046 13 E CA 0.654 56.972 56.400 -0.137 0.000 0.871 13 E CB -0.094 29.535 29.700 -0.119 0.000 0.806 13 E HN 0.609 nan 8.360 nan 0.000 0.533 14 T N -1.984 112.549 114.554 -0.035 0.000 3.081 14 T HA 0.240 4.590 4.350 0.001 0.000 0.255 14 T C 1.137 175.835 174.700 -0.004 0.000 1.113 14 T CA 0.258 62.353 62.100 -0.008 0.000 1.082 14 T CB 0.128 69.002 68.868 0.011 0.000 0.939 14 T HN 0.060 nan 8.240 nan 0.000 0.506 15 A N 1.910 124.726 122.820 -0.006 0.000 2.666 15 A HA 0.615 4.936 4.320 0.001 0.000 0.301 15 A C -0.107 177.480 177.584 0.005 0.000 1.470 15 A CA -0.444 51.597 52.037 0.006 0.000 1.159 15 A CB -0.948 18.061 19.000 0.014 0.000 1.116 15 A HN 0.677 nan 8.150 nan 0.000 0.548 16 I N 1.523 122.098 120.570 0.008 0.000 2.534 16 I HA 0.350 4.521 4.170 0.001 0.000 0.288 16 I C -0.217 175.901 176.117 0.000 0.000 1.077 16 I CA -0.337 60.975 61.300 0.021 0.000 1.051 16 I CB 2.147 40.154 38.000 0.012 0.000 1.234 16 I HN 0.717 nan 8.210 nan 0.000 0.425 17 Q N 4.816 124.626 119.800 0.016 0.000 2.387 17 Q HA 0.323 4.663 4.340 0.001 0.000 0.273 17 Q C -1.602 174.327 176.000 -0.120 0.000 1.089 17 Q CA -0.746 54.999 55.803 -0.097 0.000 0.824 17 Q CB 2.745 31.383 28.738 -0.166 0.000 1.367 17 Q HN 0.605 nan 8.270 nan 0.000 0.443 18 D N 2.242 122.484 120.400 -0.263 0.000 2.233 18 D HA 0.184 4.824 4.640 0.001 0.000 0.240 18 D C -1.462 174.533 176.300 -0.507 0.000 1.074 18 D CA -0.189 53.664 54.000 -0.245 0.000 0.838 18 D CB 0.602 41.288 40.800 -0.191 0.000 1.124 18 D HN 0.531 nan 8.370 nan 0.000 0.475 19 Y N 3.664 123.687 120.300 -0.462 0.000 2.842 19 Y HA 0.166 4.717 4.550 0.001 0.000 0.334 19 Y C 0.095 175.517 175.900 -0.796 0.000 1.019 19 Y CA -0.693 56.880 58.100 -0.880 0.000 1.258 19 Y CB 0.196 37.862 38.460 -1.323 0.000 1.106 19 Y HN 0.477 nan 8.280 nan 0.000 0.545 20 H N 1.319 120.255 119.070 -0.224 0.000 2.692 20 H HA -0.219 4.338 4.556 0.001 0.000 0.316 20 H C 1.417 176.691 175.328 -0.091 0.000 1.176 20 H CA 0.987 56.945 56.048 -0.150 0.000 1.142 20 H CB -1.477 28.197 29.762 -0.146 0.000 1.475 20 H HN 1.050 nan 8.280 nan 0.000 0.423 21 G N -0.692 108.088 108.800 -0.034 0.000 2.241 21 G HA2 -0.336 3.624 3.960 0.001 0.000 0.244 21 G HA3 -0.336 3.624 3.960 0.001 0.000 0.244 21 G C 0.041 174.959 174.900 0.031 0.000 0.998 21 G CA 0.480 45.579 45.100 -0.000 0.000 0.621 21 G HN 0.805 nan 8.290 nan 0.000 0.519 22 H N 1.893 120.920 119.070 -0.071 0.000 2.652 22 H HA 0.569 5.126 4.556 0.001 0.000 0.298 22 H C 0.064 175.393 175.328 0.002 0.000 1.076 22 H CA -0.014 56.030 56.048 -0.007 0.000 1.360 22 H CB 0.437 30.219 29.762 0.032 0.000 1.421 22 H HN 0.302 nan 8.280 nan 0.000 0.464 23 K N 4.376 124.951 120.400 0.290 0.000 2.227 23 K HA 0.335 4.655 4.320 0.001 0.000 0.280 23 K C -0.573 176.219 176.600 0.321 0.000 1.041 23 K CA -0.775 55.643 56.287 0.219 0.000 0.905 23 K CB 1.571 34.128 32.500 0.095 0.000 1.068 23 K HN 0.388 nan 8.250 nan 0.000 0.470 24 V N 0.344 120.416 119.914 0.264 0.000 2.588 24 V HA 0.474 4.595 4.120 0.001 0.000 0.304 24 V C -0.359 175.840 176.094 0.174 0.000 1.042 24 V CA -0.993 61.441 62.300 0.223 0.000 0.877 24 V CB 1.189 33.094 31.823 0.137 0.000 0.996 24 V HN 0.812 nan 8.190 nan 0.000 0.425 25 C N 3.768 123.150 119.300 0.136 0.000 2.466 25 C HA 0.692 5.152 4.460 0.001 0.000 0.379 25 C C 0.244 175.279 174.990 0.075 0.000 1.251 25 C CA 0.136 59.197 59.018 0.072 0.000 2.263 25 C CB 0.485 28.240 27.740 0.025 0.000 2.511 25 C HN 1.035 nan 8.230 nan 0.000 0.573 26 D N 1.672 122.086 120.400 0.023 0.000 2.656 26 D HA 0.258 4.898 4.640 0.001 0.000 0.303 26 D C -1.204 175.024 176.300 -0.119 0.000 1.199 26 D CA -1.214 52.787 54.000 0.001 0.000 0.797 26 D CB 0.632 41.478 40.800 0.076 0.000 1.170 26 D HN 0.288 nan 8.370 nan 0.000 0.509 27 P HA -0.173 nan 4.420 nan 0.000 0.218 27 P C 0.502 177.483 177.300 -0.531 0.000 1.146 27 P CA 1.027 63.835 63.100 -0.486 0.000 0.813 27 P CB 0.011 31.237 31.700 -0.790 0.000 0.778 28 Y N -1.194 118.974 120.300 -0.221 0.000 2.658 28 Y HA 0.475 5.025 4.550 0.001 0.000 0.276 28 Y C 2.313 177.841 175.900 -0.620 0.000 1.167 28 Y CA -0.298 57.451 58.100 -0.586 0.000 1.230 28 Y CB -0.424 37.676 38.460 -0.600 0.000 1.144 28 Y HN -0.079 nan 8.280 nan 0.000 0.529 29 A N 1.279 123.989 122.820 -0.184 0.000 2.076 29 A HA -0.183 4.137 4.320 0.001 0.000 0.220 29 A C 1.816 179.363 177.584 -0.061 0.000 1.160 29 A CA 1.475 53.461 52.037 -0.085 0.000 0.653 29 A CB -0.910 18.103 19.000 0.021 0.000 0.801 29 A HN 0.866 nan 8.150 nan 0.000 0.455 30 W N -0.739 120.559 121.300 -0.003 0.000 2.525 30 W HA 0.011 4.671 4.660 0.001 0.000 0.259 30 W C 0.949 177.435 176.519 -0.056 0.000 1.253 30 W CA 0.446 57.786 57.345 -0.009 0.000 1.262 30 W CB -1.015 28.463 29.460 0.030 0.000 1.122 30 W HN 0.234 nan 8.180 nan 0.000 0.607 31 L N 1.214 122.101 121.223 -0.560 0.000 2.551 31 L HA -0.082 4.259 4.340 0.001 0.000 0.228 31 L C 2.239 178.928 176.870 -0.301 0.000 1.153 31 L CA 1.064 55.564 54.840 -0.567 0.000 0.851 31 L CB -0.483 41.008 42.059 -0.947 0.000 0.959 31 L HN -0.012 nan 8.230 nan 0.000 0.451 32 E N -0.533 119.536 120.200 -0.220 0.000 2.268 32 E HA -0.159 4.191 4.350 0.001 0.000 0.195 32 E C 0.433 176.948 176.600 -0.142 0.000 0.995 32 E CA 0.397 56.667 56.400 -0.216 0.000 0.836 32 E CB 0.058 29.682 29.700 -0.127 0.000 0.763 32 E HN 0.239 nan 8.360 nan 0.000 0.491 33 D N 0.496 120.868 120.400 -0.047 0.000 2.396 33 D HA 0.035 4.675 4.640 0.001 0.000 0.225 33 D C -1.587 174.712 176.300 -0.002 0.000 1.121 33 D CA -2.568 51.431 54.000 -0.002 0.000 0.853 33 D CB 1.193 42.026 40.800 0.055 0.000 1.043 33 D HN -0.118 nan 8.370 nan 0.000 0.500 34 P HA -0.042 nan 4.420 nan 0.000 0.223 34 P C 0.214 177.519 177.300 0.008 0.000 1.151 34 P CA 0.613 63.701 63.100 -0.020 0.000 0.787 34 P CB 0.651 32.323 31.700 -0.047 0.000 0.788 35 D N -0.059 120.349 120.400 0.014 0.000 2.350 35 D HA -0.000 4.640 4.640 0.001 0.000 0.213 35 D C 1.074 177.395 176.300 0.035 0.000 1.031 35 D CA 0.397 54.408 54.000 0.020 0.000 0.861 35 D CB 0.107 40.915 40.800 0.013 0.000 0.926 35 D HN 0.270 nan 8.370 nan 0.000 0.520 36 S N 0.631 116.363 115.700 0.053 0.000 2.593 36 S HA 0.076 4.546 4.470 0.001 0.000 0.269 36 S C 1.245 175.885 174.600 0.067 0.000 1.334 36 S CA -0.465 57.771 58.200 0.060 0.000 1.015 36 S CB 2.011 65.263 63.200 0.087 0.000 0.912 36 S HN -0.144 nan 8.310 nan 0.000 0.541 37 E N 1.604 121.830 120.200 0.043 0.000 2.150 37 E HA -0.136 4.214 4.350 0.001 0.000 0.193 37 E C 2.002 178.643 176.600 0.068 0.000 0.985 37 E CA 1.260 57.685 56.400 0.042 0.000 0.814 37 E CB -0.389 29.318 29.700 0.012 0.000 0.752 37 E HN 0.778 nan 8.360 nan 0.000 0.466 38 Q N -0.170 119.669 119.800 0.064 0.000 2.079 38 Q HA -0.056 4.284 4.340 0.001 0.000 0.200 38 Q C 2.201 178.405 176.000 0.340 0.000 0.974 38 Q CA 1.802 57.659 55.803 0.089 0.000 0.840 38 Q CB -0.467 28.195 28.738 -0.128 0.000 0.898 38 Q HN 0.155 nan 8.270 nan 0.000 0.430 39 T N 0.689 115.454 114.554 0.351 0.000 2.857 39 T HA -0.069 4.281 4.350 0.001 0.000 0.266 39 T C 1.459 176.320 174.700 0.269 0.000 1.048 39 T CA 1.022 63.318 62.100 0.328 0.000 1.139 39 T CB -0.061 68.906 68.868 0.165 0.000 0.874 39 T HN 0.203 nan 8.240 nan 0.000 0.455 40 K N 1.206 121.714 120.400 0.180 0.000 2.097 40 K HA 0.056 4.377 4.320 0.001 0.000 0.206 40 K C 2.613 179.299 176.600 0.143 0.000 1.049 40 K CA 1.150 57.517 56.287 0.133 0.000 0.933 40 K CB -0.205 32.345 32.500 0.084 0.000 0.717 40 K HN 0.274 nan 8.250 nan 0.000 0.442 41 A N 0.960 123.879 122.820 0.165 0.000 1.929 41 A HA -0.133 4.187 4.320 0.001 0.000 0.216 41 A C 1.943 179.636 177.584 0.182 0.000 1.176 41 A CA 0.844 52.966 52.037 0.142 0.000 0.628 41 A CB -0.564 18.510 19.000 0.123 0.000 0.816 41 A HN 0.352 nan 8.150 nan 0.000 0.444 42 F N 0.694 120.723 119.950 0.132 0.000 2.102 42 F HA -0.157 4.371 4.527 0.001 0.000 0.298 42 F C 2.170 177.999 175.800 0.048 0.000 1.105 42 F CA 2.068 60.143 58.000 0.124 0.000 1.239 42 F CB -0.285 38.821 39.000 0.178 0.000 0.991 42 F HN 0.023 nan 8.300 nan 0.000 0.474 43 V N 0.708 120.738 119.914 0.193 0.000 2.343 43 V HA -0.274 3.846 4.120 0.001 0.000 0.247 43 V C 2.525 178.591 176.094 -0.046 0.000 1.051 43 V CA 2.273 64.599 62.300 0.043 0.000 1.036 43 V CB -0.706 31.184 31.823 0.111 0.000 0.654 43 V HN 0.415 nan 8.190 nan 0.000 0.451 44 E N 0.335 120.536 120.200 0.002 0.000 2.051 44 E HA -0.222 4.128 4.350 0.001 0.000 0.192 44 E C 2.274 178.847 176.600 -0.045 0.000 0.991 44 E CA 1.621 58.017 56.400 -0.006 0.000 0.799 44 E CB -0.144 29.570 29.700 0.022 0.000 0.748 44 E HN 0.534 nan 8.360 nan 0.000 0.449 45 A N 1.013 123.790 122.820 -0.072 0.000 1.969 45 A HA -0.174 4.147 4.320 0.001 0.000 0.218 45 A C 2.107 179.588 177.584 -0.171 0.000 1.169 45 A CA 1.107 53.086 52.037 -0.097 0.000 0.635 45 A CB -0.290 18.666 19.000 -0.073 0.000 0.810 45 A HN 0.201 nan 8.150 nan 0.000 0.445 46 Q N 0.189 119.817 119.800 -0.286 0.000 2.016 46 Q HA -0.121 4.219 4.340 0.001 0.000 0.200 46 Q C 1.719 177.614 176.000 -0.175 0.000 0.978 46 Q CA 1.393 57.011 55.803 -0.309 0.000 0.833 46 Q CB -0.573 27.889 28.738 -0.460 0.000 0.895 46 Q HN 0.642 nan 8.270 nan 0.000 0.427 47 N N 1.066 119.706 118.700 -0.100 0.000 2.223 47 N HA -0.143 4.597 4.740 0.001 0.000 0.185 47 N C 1.582 177.078 175.510 -0.023 0.000 1.016 47 N CA 0.809 53.858 53.050 -0.001 0.000 0.863 47 N CB -0.159 38.363 38.487 0.058 0.000 0.983 47 N HN 0.263 nan 8.380 nan 0.000 0.429 48 K N 1.103 121.474 120.400 -0.048 0.000 2.147 48 K HA -0.080 4.241 4.320 0.001 0.000 0.205 48 K C 1.932 178.495 176.600 -0.062 0.000 1.049 48 K CA 0.927 57.191 56.287 -0.037 0.000 0.936 48 K CB 0.029 32.511 32.500 -0.031 0.000 0.722 48 K HN 0.342 nan 8.250 nan 0.000 0.446 49 I N -3.494 116.993 120.570 -0.139 0.000 3.265 49 I HA 0.013 4.184 4.170 0.001 0.000 0.282 49 I C 1.541 177.503 176.117 -0.257 0.000 1.207 49 I CA 0.370 61.520 61.300 -0.252 0.000 1.449 49 I CB -0.132 37.573 38.000 -0.493 0.000 1.121 49 I HN -0.148 nan 8.210 nan 0.000 0.442 50 T N 1.808 116.250 114.554 -0.186 0.000 2.732 50 T HA -0.049 4.301 4.350 0.001 0.000 0.261 50 T C 2.128 176.819 174.700 -0.014 0.000 1.040 50 T CA 1.756 63.784 62.100 -0.120 0.000 1.145 50 T CB -0.278 68.528 68.868 -0.103 0.000 0.866 50 T HN 0.182 nan 8.240 nan 0.000 0.427 51 V N 2.468 122.357 119.914 -0.042 0.000 2.252 51 V HA -0.150 3.971 4.120 0.001 0.000 0.249 51 V C -0.476 175.631 176.094 0.023 0.000 1.056 51 V CA 1.951 64.223 62.300 -0.046 0.000 1.022 51 V CB -1.614 30.191 31.823 -0.029 0.000 0.641 51 V HN 0.373 nan 8.190 nan 0.000 0.445 52 P HA -0.159 nan 4.420 nan 0.000 0.218 52 P C 1.679 179.048 177.300 0.114 0.000 1.149 52 P CA 1.342 64.484 63.100 0.070 0.000 0.817 52 P CB -0.111 31.636 31.700 0.078 0.000 0.785 53 F N -0.020 119.953 119.950 0.039 0.000 2.146 53 F HA -0.127 4.401 4.527 0.001 0.000 0.298 53 F C 1.865 177.717 175.800 0.087 0.000 1.096 53 F CA 1.398 59.459 58.000 0.103 0.000 1.275 53 F CB -0.601 38.491 39.000 0.153 0.000 1.008 53 F HN -0.254 nan 8.300 nan 0.000 0.480 54 L N -0.143 121.223 121.223 0.238 0.000 2.109 54 L HA -0.139 4.201 4.340 0.001 0.000 0.207 54 L C 1.916 178.792 176.870 0.010 0.000 1.086 54 L CA 1.393 56.315 54.840 0.137 0.000 0.760 54 L CB -0.587 41.525 42.059 0.088 0.000 0.910 54 L HN 0.151 nan 8.230 nan 0.000 0.437 55 E N -0.674 119.523 120.200 -0.005 0.000 2.478 55 E HA -0.145 4.206 4.350 0.001 0.000 0.194 55 E C 1.820 178.393 176.600 -0.044 0.000 1.045 55 E CA -0.038 56.348 56.400 -0.023 0.000 0.868 55 E CB 0.213 29.905 29.700 -0.013 0.000 0.885 55 E HN 0.454 nan 8.360 nan 0.000 0.505 56 Q N 0.370 120.124 119.800 -0.076 0.000 2.016 56 Q HA -0.087 4.253 4.340 0.001 0.000 0.200 56 Q C 0.385 176.328 176.000 -0.096 0.000 0.978 56 Q CA 0.835 56.583 55.803 -0.091 0.000 0.833 56 Q CB 0.168 28.827 28.738 -0.132 0.000 0.895 56 Q HN 0.218 nan 8.270 nan 0.000 0.427 57 C N 2.507 121.733 119.300 -0.123 0.000 2.624 57 C HA 0.124 4.584 4.460 0.001 0.000 0.397 57 C C -1.311 173.639 174.990 -0.068 0.000 1.331 57 C CA -1.238 57.726 59.018 -0.091 0.000 1.716 57 C CB 0.408 28.092 27.740 -0.093 0.000 2.452 57 C HN 0.488 nan 8.230 nan 0.000 0.586 58 P HA -0.140 nan 4.420 nan 0.000 0.219 58 P C 1.343 178.567 177.300 -0.127 0.000 1.144 58 P CA 1.361 64.411 63.100 -0.083 0.000 0.806 58 P CB -0.035 31.621 31.700 -0.074 0.000 0.771 59 I N -0.933 119.576 120.570 -0.101 0.000 2.335 59 I HA -0.283 3.887 4.170 0.001 0.000 0.251 59 I C 2.618 178.655 176.117 -0.133 0.000 1.129 59 I CA 1.311 62.529 61.300 -0.136 0.000 1.402 59 I CB -0.403 37.624 38.000 0.045 0.000 1.069 59 I HN -0.051 nan 8.210 nan 0.000 0.424 60 R N 1.104 121.571 120.500 -0.056 0.000 2.096 60 R HA -0.151 4.190 4.340 0.001 0.000 0.235 60 R C 2.320 178.601 176.300 -0.031 0.000 1.127 60 R CA 1.660 57.754 56.100 -0.009 0.000 0.968 60 R CB -0.450 29.848 30.300 -0.003 0.000 0.861 60 R HN 0.431 nan 8.270 nan 0.000 0.440 61 G N 0.697 109.441 108.800 -0.093 0.000 2.408 61 G HA2 -0.192 3.768 3.960 0.001 0.000 0.217 61 G HA3 -0.192 3.768 3.960 0.001 0.000 0.217 61 G C 1.452 176.236 174.900 -0.193 0.000 1.150 61 G CA 0.350 45.387 45.100 -0.106 0.000 0.776 61 G HN 0.215 nan 8.290 nan 0.000 0.542 62 L N -1.184 119.815 121.223 -0.373 0.000 2.056 62 L HA -0.013 4.328 4.340 0.001 0.000 0.207 62 L C 2.543 178.999 176.870 -0.690 0.000 1.078 62 L CA 1.143 55.570 54.840 -0.689 0.000 0.749 62 L CB -0.452 40.819 42.059 -1.313 0.000 0.901 62 L HN 0.301 nan 8.230 nan 0.000 0.433 63 Y N 0.929 120.838 120.300 -0.653 0.000 2.163 63 Y HA -0.300 4.251 4.550 0.001 0.000 0.288 63 Y C 2.783 178.640 175.900 -0.072 0.000 1.136 63 Y CA 1.882 59.856 58.100 -0.211 0.000 1.147 63 Y CB 0.004 38.483 38.460 0.031 0.000 0.987 63 Y HN 0.002 nan 8.280 nan 0.000 0.509 64 K N 0.508 120.993 120.400 0.141 0.000 2.032 64 K HA -0.295 4.025 4.320 0.001 0.000 0.209 64 K C 2.229 178.822 176.600 -0.012 0.000 1.048 64 K CA 2.035 58.381 56.287 0.099 0.000 0.927 64 K CB -0.367 32.180 32.500 0.078 0.000 0.712 64 K HN 0.519 nan 8.250 nan 0.000 0.441 65 E N 0.187 120.351 120.200 -0.060 0.000 2.051 65 E HA -0.248 4.102 4.350 0.001 0.000 0.192 65 E C 2.169 178.732 176.600 -0.062 0.000 0.991 65 E CA 1.050 57.416 56.400 -0.057 0.000 0.799 65 E CB -0.006 29.647 29.700 -0.079 0.000 0.748 65 E HN 0.108 nan 8.360 nan 0.000 0.449 66 R N 0.382 120.817 120.500 -0.110 0.000 2.096 66 R HA -0.122 4.219 4.340 0.001 0.000 0.235 66 R C 2.229 178.463 176.300 -0.110 0.000 1.127 66 R CA 1.665 57.706 56.100 -0.098 0.000 0.968 66 R CB -0.515 29.734 30.300 -0.086 0.000 0.861 66 R HN 0.263 nan 8.270 nan 0.000 0.440 67 M N -0.551 118.930 119.600 -0.198 0.000 2.132 67 M HA -0.060 4.420 4.480 0.001 0.000 0.263 67 M C 1.621 177.940 176.300 0.032 0.000 1.065 67 M CA 1.974 57.182 55.300 -0.154 0.000 1.122 67 M CB -0.506 31.965 32.600 -0.215 0.000 1.365 67 M HN 0.108 nan 8.290 nan 0.000 0.411 68 T N 0.131 114.707 114.554 0.036 0.000 2.788 68 T HA -0.150 4.200 4.350 0.001 0.000 0.268 68 T C 1.721 176.479 174.700 0.097 0.000 1.044 68 T CA 1.806 63.958 62.100 0.088 0.000 1.139 68 T CB -0.249 68.651 68.868 0.052 0.000 0.867 68 T HN 0.529 nan 8.240 nan 0.000 0.454 69 E N 0.423 120.663 120.200 0.067 0.000 2.028 69 E HA 0.026 4.376 4.350 0.001 0.000 0.190 69 E C 2.185 178.858 176.600 0.122 0.000 0.984 69 E CA 0.684 57.129 56.400 0.075 0.000 0.800 69 E CB -0.100 29.629 29.700 0.050 0.000 0.758 69 E HN 0.381 nan 8.360 nan 0.000 0.448 70 L N -0.150 121.151 121.223 0.130 0.000 2.141 70 L HA -0.153 4.187 4.340 0.001 0.000 0.209 70 L C 2.341 179.426 176.870 0.358 0.000 1.094 70 L CA 0.759 55.710 54.840 0.185 0.000 0.763 70 L CB -0.346 41.786 42.059 0.122 0.000 0.908 70 L HN 0.252 nan 8.230 nan 0.000 0.437 71 Y N 0.711 121.118 120.300 0.180 0.000 2.509 71 Y HA -0.091 4.460 4.550 0.001 0.000 0.293 71 Y C 1.055 177.051 175.900 0.160 0.000 1.133 71 Y CA 0.134 58.372 58.100 0.230 0.000 1.283 71 Y CB -0.269 38.247 38.460 0.093 0.000 1.001 71 Y HN 0.084 nan 8.280 nan 0.000 0.555 72 D N 1.175 121.662 120.400 0.144 0.000 2.498 72 D HA 0.071 4.711 4.640 0.001 0.000 0.229 72 D C -1.221 175.136 176.300 0.096 0.000 1.188 72 D CA 0.260 54.265 54.000 0.009 0.000 1.028 72 D CB -1.143 39.683 40.800 0.043 0.000 1.087 72 D HN 0.343 nan 8.370 nan 0.000 0.510 73 Y N -0.509 119.732 120.300 -0.097 0.000 2.571 73 Y HA 0.629 5.180 4.550 0.001 0.000 0.341 73 Y C -3.024 172.844 175.900 -0.053 0.000 1.076 73 Y CA -3.022 55.055 58.100 -0.038 0.000 1.029 73 Y CB 0.592 39.054 38.460 0.004 0.000 1.308 73 Y HN -0.084 nan 8.280 nan 0.000 0.461 74 P HA 0.129 nan 4.420 nan 0.000 0.262 74 P C -1.291 176.040 177.300 0.053 0.000 1.199 74 P CA 0.175 63.330 63.100 0.093 0.000 0.763 74 P CB 0.374 32.247 31.700 0.288 0.000 0.790 75 K N 3.860 124.186 120.400 -0.123 0.000 2.449 75 K HA 0.361 4.681 4.320 0.001 0.000 0.257 75 K C -0.783 175.869 176.600 0.086 0.000 0.989 75 K CA -0.466 55.802 56.287 -0.032 0.000 0.916 75 K CB 0.890 33.263 32.500 -0.211 0.000 1.136 75 K HN 0.380 nan 8.250 nan 0.000 0.439 76 Y N 0.123 120.573 120.300 0.251 0.000 2.496 76 Y HA 0.301 4.851 4.550 0.001 0.000 0.331 76 Y C 0.987 177.057 175.900 0.284 0.000 1.140 76 Y CA -0.543 57.733 58.100 0.293 0.000 1.166 76 Y CB 1.850 40.389 38.460 0.132 0.000 1.249 76 Y HN 0.548 nan 8.280 nan 0.000 0.479 77 S N -0.299 115.730 115.700 0.548 0.000 2.767 77 S HA 0.547 5.018 4.470 0.001 0.000 0.300 77 S C -0.529 174.319 174.600 0.413 0.000 1.123 77 S CA -0.868 57.611 58.200 0.464 0.000 0.992 77 S CB 0.870 64.427 63.200 0.595 0.000 1.138 77 S HN 0.676 nan 8.310 nan 0.000 0.550 78 C N 1.571 121.085 119.300 0.356 0.000 2.652 78 C HA 0.424 4.884 4.460 0.001 0.000 0.412 78 C C 0.653 175.752 174.990 0.182 0.000 1.294 78 C CA -0.043 59.115 59.018 0.233 0.000 2.127 78 C CB -1.185 26.701 27.740 0.244 0.000 2.691 78 C HN 0.872 nan 8.230 nan 0.000 0.615 79 H N 1.172 119.935 119.070 -0.512 0.000 2.707 79 H HA 0.490 5.047 4.556 0.001 0.000 0.359 79 H C -0.268 174.849 175.328 -0.351 0.000 1.113 79 H CA 0.574 56.246 56.048 -0.627 0.000 1.422 79 H CB 0.322 29.210 29.762 -1.458 0.000 1.443 79 H HN 0.541 nan 8.280 nan 0.000 0.591 80 F N -0.204 119.708 119.950 -0.063 0.000 2.581 80 F HA 0.467 4.994 4.527 0.001 0.000 0.311 80 F C -0.770 175.017 175.800 -0.023 0.000 1.113 80 F CA -1.282 56.719 58.000 0.002 0.000 0.935 80 F CB 1.177 40.193 39.000 0.027 0.000 1.232 80 F HN 0.244 nan 8.300 nan 0.000 0.445 81 K N 2.898 123.291 120.400 -0.012 0.000 2.172 81 K HA 0.501 4.821 4.320 0.001 0.000 0.276 81 K C -1.102 175.386 176.600 -0.187 0.000 1.013 81 K CA -0.743 55.338 56.287 -0.343 0.000 0.913 81 K CB 0.866 33.004 32.500 -0.604 0.000 1.055 81 K HN 0.630 nan 8.250 nan 0.000 0.461 82 K N 2.595 122.837 120.400 -0.263 0.000 2.613 82 K HA 0.287 4.608 4.320 0.001 0.000 0.248 82 K C -0.037 176.440 176.600 -0.206 0.000 0.959 82 K CA -0.131 55.976 56.287 -0.300 0.000 0.855 82 K CB 1.449 33.471 32.500 -0.796 0.000 1.143 82 K HN 0.960 nan 8.250 nan 0.000 0.437 83 G N 3.739 112.451 108.800 -0.147 0.000 2.550 83 G HA2 -0.401 3.560 3.960 0.001 0.000 0.277 83 G HA3 -0.401 3.560 3.960 0.001 0.000 0.277 83 G C 0.417 175.240 174.900 -0.128 0.000 1.190 83 G CA 0.570 45.608 45.100 -0.103 0.000 0.971 83 G HN 0.644 nan 8.290 nan 0.000 0.559 84 K N 0.669 121.005 120.400 -0.107 0.000 2.404 84 K HA 0.338 4.659 4.320 0.001 0.000 0.194 84 K C 0.960 177.468 176.600 -0.154 0.000 1.023 84 K CA 0.222 56.442 56.287 -0.112 0.000 1.094 84 K CB 0.353 32.815 32.500 -0.062 0.000 0.841 84 K HN 0.556 nan 8.250 nan 0.000 0.523 85 R N 0.220 120.596 120.500 -0.207 0.000 2.832 85 R HA 0.372 4.713 4.340 0.001 0.000 0.271 85 R C -1.190 174.852 176.300 -0.430 0.000 0.996 85 R CA -0.887 55.037 56.100 -0.293 0.000 0.977 85 R CB 0.915 30.975 30.300 -0.400 0.000 1.168 85 R HN -0.045 nan 8.270 nan 0.000 0.482 86 Y N 0.287 120.307 120.300 -0.467 0.000 2.457 86 Y HA 0.481 5.031 4.550 0.001 0.000 0.333 86 Y C -0.405 174.953 175.900 -0.904 0.000 1.119 86 Y CA -0.294 57.531 58.100 -0.457 0.000 1.143 86 Y CB 1.249 39.560 38.460 -0.248 0.000 1.230 86 Y HN 0.347 nan 8.280 nan 0.000 0.469 87 F N 1.305 120.780 119.950 -0.791 0.000 2.599 87 F HA 0.597 5.125 4.527 0.001 0.000 0.311 87 F C -1.084 174.066 175.800 -1.084 0.000 1.076 87 F CA -1.385 55.950 58.000 -1.109 0.000 0.937 87 F CB 1.952 39.989 39.000 -1.606 0.000 1.282 87 F HN 0.412 nan 8.300 nan 0.000 0.460 88 Y N -0.816 119.097 120.300 -0.645 0.000 2.573 88 Y HA 0.674 5.224 4.550 0.001 0.000 0.328 88 Y C -2.180 173.664 175.900 -0.092 0.000 1.170 88 Y CA -2.164 55.758 58.100 -0.296 0.000 1.078 88 Y CB 0.676 38.903 38.460 -0.389 0.000 1.341 88 Y HN 0.407 nan 8.280 nan 0.000 0.459 89 F N 2.966 123.136 119.950 0.366 0.000 2.397 89 F HA 0.600 5.128 4.527 0.001 0.000 0.331 89 F C -0.584 175.480 175.800 0.439 0.000 1.090 89 F CA -0.469 57.710 58.000 0.299 0.000 1.065 89 F CB 1.411 40.568 39.000 0.261 0.000 1.184 89 F HN 0.608 nan 8.300 nan 0.000 0.499 90 Y N 3.065 123.587 120.300 0.369 0.000 2.482 90 Y HA 0.360 4.911 4.550 0.001 0.000 0.334 90 Y C -1.815 174.123 175.900 0.063 0.000 1.091 90 Y CA -1.773 56.396 58.100 0.116 0.000 1.027 90 Y CB 1.393 39.845 38.460 -0.013 0.000 1.306 90 Y HN 0.589 nan 8.280 nan 0.000 0.446 91 N N 3.111 121.551 118.700 -0.434 0.000 2.442 91 N HA 0.171 4.911 4.740 0.001 0.000 0.274 91 N C 0.532 175.537 175.510 -0.841 0.000 1.002 91 N CA 0.374 53.103 53.050 -0.535 0.000 0.910 91 N CB 2.016 40.328 38.487 -0.292 0.000 1.244 91 N HN 0.866 nan 8.380 nan 0.000 0.492 92 T N 0.311 114.343 114.554 -0.870 0.000 2.897 92 T HA 0.078 4.429 4.350 0.001 0.000 0.271 92 T C 1.165 175.689 174.700 -0.293 0.000 1.084 92 T CA 1.546 63.304 62.100 -0.570 0.000 1.123 92 T CB 0.121 68.795 68.868 -0.324 0.000 0.865 92 T HN 0.643 nan 8.240 nan 0.000 0.496 93 G N 0.831 109.433 108.800 -0.330 0.000 4.460 93 G HA2 0.070 4.030 3.960 0.001 0.000 0.182 93 G HA3 0.070 4.030 3.960 0.001 0.000 0.182 93 G C 0.485 175.187 174.900 -0.331 0.000 1.512 93 G CA -0.103 44.805 45.100 -0.320 0.000 0.856 93 G HN 0.419 nan 8.290 nan 0.000 0.289 94 L N 1.903 123.011 121.223 -0.191 0.000 3.014 94 L HA 0.393 4.734 4.340 0.001 0.000 0.263 94 L C 0.622 177.447 176.870 -0.075 0.000 1.207 94 L CA -0.145 54.632 54.840 -0.106 0.000 1.017 94 L CB 0.815 42.855 42.059 -0.032 0.000 1.360 94 L HN 0.238 nan 8.230 nan 0.000 0.560 95 Q N 0.273 120.002 119.800 -0.118 0.000 2.392 95 Q HA 0.050 4.391 4.340 0.001 0.000 0.262 95 Q C 0.560 176.531 176.000 -0.049 0.000 1.003 95 Q CA -0.270 55.481 55.803 -0.087 0.000 0.888 95 Q CB 0.895 29.560 28.738 -0.121 0.000 1.260 95 Q HN 0.161 nan 8.270 nan 0.000 0.435 96 N N 0.764 119.450 118.700 -0.023 0.000 2.166 96 N HA -0.108 4.632 4.740 0.001 0.000 0.186 96 N C -0.213 175.298 175.510 0.003 0.000 1.019 96 N CA 1.253 54.305 53.050 0.003 0.000 0.856 96 N CB 0.350 38.840 38.487 0.006 0.000 0.993 96 N HN 0.480 nan 8.380 nan 0.000 0.426 97 Q N 0.367 120.158 119.800 -0.015 0.000 2.372 97 Q HA 0.248 4.589 4.340 0.001 0.000 0.273 97 Q C -0.389 175.599 176.000 -0.020 0.000 1.078 97 Q CA -0.567 55.230 55.803 -0.008 0.000 0.806 97 Q CB 2.797 31.535 28.738 0.001 0.000 1.332 97 Q HN 0.337 nan 8.270 nan 0.000 0.435 98 R N -0.387 120.112 120.500 -0.001 0.000 2.641 98 R HA 0.535 4.876 4.340 0.001 0.000 0.269 98 R C -0.352 176.011 176.300 0.106 0.000 1.074 98 R CA -0.456 55.665 56.100 0.036 0.000 1.133 98 R CB 0.224 30.573 30.300 0.081 0.000 1.029 98 R HN 0.192 nan 8.270 nan 0.000 0.488 99 V N 2.639 122.622 119.914 0.114 0.000 2.630 99 V HA 0.236 4.356 4.120 0.001 0.000 0.305 99 V C -0.347 175.764 176.094 0.028 0.000 1.046 99 V CA -1.126 61.172 62.300 -0.004 0.000 0.934 99 V CB 1.538 33.206 31.823 -0.259 0.000 1.003 99 V HN 0.596 nan 8.190 nan 0.000 0.451 100 L N 4.892 126.027 121.223 -0.147 0.000 2.265 100 L HA 0.533 4.874 4.340 0.001 0.000 0.288 100 L C -0.945 175.666 176.870 -0.431 0.000 1.058 100 L CA 0.239 54.869 54.840 -0.351 0.000 0.809 100 L CB 0.281 42.140 42.059 -0.334 0.000 1.179 100 L HN 0.523 nan 8.230 nan 0.000 0.429 101 Y N 3.587 123.550 120.300 -0.562 0.000 2.534 101 Y HA 0.735 5.286 4.550 0.001 0.000 0.329 101 Y C -0.082 175.423 175.900 -0.658 0.000 1.154 101 Y CA -0.513 57.233 58.100 -0.591 0.000 1.192 101 Y CB 1.958 39.852 38.460 -0.943 0.000 1.275 101 Y HN 0.425 nan 8.280 nan 0.000 0.491 102 V N 1.970 121.646 119.914 -0.397 0.000 2.971 102 V HA 0.607 4.728 4.120 0.001 0.000 0.309 102 V C -1.896 173.950 176.094 -0.413 0.000 1.130 102 V CA -0.487 61.352 62.300 -0.768 0.000 0.964 102 V CB 2.097 33.355 31.823 -0.942 0.000 1.029 102 V HN 0.886 nan 8.190 nan 0.000 0.427 103 Q N 3.005 122.544 119.800 -0.434 0.000 2.295 103 Q HA 0.447 4.788 4.340 0.001 0.000 0.268 103 Q C -1.114 174.782 176.000 -0.173 0.000 1.010 103 Q CA -0.801 54.885 55.803 -0.195 0.000 0.856 103 Q CB 1.954 30.651 28.738 -0.068 0.000 1.349 103 Q HN 0.625 nan 8.270 nan 0.000 0.412 104 D N 1.110 121.439 120.400 -0.117 0.000 2.348 104 D HA -0.037 4.604 4.640 0.001 0.000 0.216 104 D C 0.230 176.541 176.300 0.019 0.000 0.970 104 D CA 1.100 55.057 54.000 -0.073 0.000 0.889 104 D CB 0.605 41.368 40.800 -0.062 0.000 0.912 104 D HN 0.455 nan 8.370 nan 0.000 0.524 105 S N -0.569 115.149 115.700 0.030 0.000 2.564 105 S HA 0.241 4.711 4.470 0.001 0.000 0.274 105 S C 0.283 174.853 174.600 -0.050 0.000 1.124 105 S CA -0.756 57.473 58.200 0.049 0.000 0.869 105 S CB 1.662 64.864 63.200 0.003 0.000 1.105 105 S HN -0.113 nan 8.310 nan 0.000 0.472 106 L N 3.208 124.319 121.223 -0.187 0.000 2.131 106 L HA 0.190 4.530 4.340 0.001 0.000 0.210 106 L C 1.869 178.617 176.870 -0.204 0.000 1.092 106 L CA 2.048 56.639 54.840 -0.414 0.000 0.759 106 L CB -0.508 41.246 42.059 -0.509 0.000 0.903 106 L HN 0.868 nan 8.230 nan 0.000 0.435 107 E N -1.107 119.015 120.200 -0.130 0.000 2.472 107 E HA 0.160 4.510 4.350 0.001 0.000 0.196 107 E C 1.045 177.594 176.600 -0.085 0.000 1.033 107 E CA 0.259 56.594 56.400 -0.108 0.000 0.886 107 E CB 0.033 29.684 29.700 -0.082 0.000 0.944 107 E HN 0.507 nan 8.360 nan 0.000 0.492 108 G N 1.243 110.002 108.800 -0.068 0.000 2.634 108 G HA2 0.028 3.989 3.960 0.001 0.000 0.255 108 G HA3 0.028 3.989 3.960 0.001 0.000 0.255 108 G C -0.002 174.870 174.900 -0.048 0.000 1.205 108 G CA -0.523 44.547 45.100 -0.050 0.000 0.884 108 G HN -0.057 nan 8.290 nan 0.000 0.549 109 E N -0.093 120.085 120.200 -0.036 0.000 2.316 109 E HA 0.371 4.722 4.350 0.001 0.000 0.275 109 E C 0.524 177.121 176.600 -0.006 0.000 1.029 109 E CA -0.102 56.285 56.400 -0.022 0.000 0.871 109 E CB 1.510 31.200 29.700 -0.016 0.000 1.022 109 E HN 0.525 nan 8.360 nan 0.000 0.418 110 A N 4.394 127.230 122.820 0.026 0.000 2.304 110 A HA 0.557 4.877 4.320 0.001 0.000 0.271 110 A C 0.251 177.895 177.584 0.101 0.000 1.091 110 A CA -0.444 51.634 52.037 0.067 0.000 0.812 110 A CB 0.607 19.708 19.000 0.169 0.000 1.056 110 A HN 0.705 nan 8.150 nan 0.000 0.489 111 R N 0.161 120.725 120.500 0.107 0.000 2.740 111 R HA 0.600 4.941 4.340 0.001 0.000 0.273 111 R C -1.707 174.627 176.300 0.056 0.000 0.998 111 R CA -0.842 55.320 56.100 0.104 0.000 0.900 111 R CB 0.982 31.295 30.300 0.023 0.000 1.223 111 R HN 0.314 nan 8.270 nan 0.000 0.466 112 V N 3.253 123.126 119.914 -0.068 0.000 2.557 112 V HA -0.051 4.070 4.120 0.001 0.000 0.301 112 V C 0.525 176.499 176.094 -0.200 0.000 1.026 112 V CA 0.565 62.641 62.300 -0.372 0.000 1.137 112 V CB 0.002 31.619 31.823 -0.345 0.000 0.917 112 V HN 0.728 nan 8.190 nan 0.000 0.484 113 F N 5.474 125.187 119.950 -0.396 0.000 2.315 113 F HA 0.424 4.951 4.527 0.001 0.000 0.284 113 F C 0.506 176.138 175.800 -0.279 0.000 1.049 113 F CA 0.535 58.365 58.000 -0.283 0.000 1.323 113 F CB 0.497 39.348 39.000 -0.248 0.000 1.113 113 F HN 0.323 nan 8.300 nan 0.000 0.544 114 L N 0.975 121.992 121.223 -0.344 0.000 2.516 114 L HA 0.349 4.689 4.340 0.001 0.000 0.267 114 L C -2.008 174.710 176.870 -0.253 0.000 0.957 114 L CA -0.675 53.939 54.840 -0.376 0.000 0.860 114 L CB 1.322 43.136 42.059 -0.408 0.000 1.265 114 L HN -0.078 nan 8.230 nan 0.000 0.403 115 D N 6.042 126.308 120.400 -0.222 0.000 2.461 115 D HA 0.425 5.065 4.640 0.001 0.000 0.240 115 D C -2.032 174.209 176.300 -0.099 0.000 1.094 115 D CA -2.107 51.795 54.000 -0.165 0.000 0.868 115 D CB 2.116 42.811 40.800 -0.174 0.000 1.062 115 D HN 0.241 nan 8.370 nan 0.000 0.530 116 P HA -0.027 nan 4.420 nan 0.000 0.223 116 P C 1.003 178.291 177.300 -0.020 0.000 1.151 116 P CA 0.445 63.534 63.100 -0.018 0.000 0.787 116 P CB 0.342 32.052 31.700 0.016 0.000 0.788 117 N N 0.270 118.948 118.700 -0.036 0.000 2.289 117 N HA -0.114 4.626 4.740 0.001 0.000 0.184 117 N C 1.605 177.096 175.510 -0.030 0.000 1.016 117 N CA 1.172 54.202 53.050 -0.033 0.000 0.872 117 N CB -0.470 37.990 38.487 -0.044 0.000 0.973 117 N HN 0.351 nan 8.380 nan 0.000 0.433 118 I N -2.161 118.386 120.570 -0.038 0.000 3.564 118 I HA 0.062 4.233 4.170 0.001 0.000 0.294 118 I C 1.295 177.400 176.117 -0.021 0.000 1.289 118 I CA 0.392 61.673 61.300 -0.032 0.000 1.325 118 I CB -0.241 37.733 38.000 -0.043 0.000 1.039 118 I HN -0.092 nan 8.210 nan 0.000 0.474 119 L N 1.249 122.464 121.223 -0.014 0.000 2.492 119 L HA 0.191 4.531 4.340 0.001 0.000 0.223 119 L C 0.655 177.524 176.870 -0.002 0.000 1.132 119 L CA 0.208 55.047 54.840 -0.002 0.000 0.850 119 L CB -0.362 41.705 42.059 0.013 0.000 0.966 119 L HN 0.552 nan 8.230 nan 0.000 0.454 120 S N -3.630 112.066 115.700 -0.006 0.000 2.543 120 S HA 0.241 4.712 4.470 0.001 0.000 0.274 120 S C -0.273 174.323 174.600 -0.007 0.000 1.149 120 S CA -0.840 57.357 58.200 -0.006 0.000 0.866 120 S CB 1.659 64.856 63.200 -0.006 0.000 1.111 120 S HN -0.107 nan 8.310 nan 0.000 0.457 121 D N 1.203 121.600 120.400 -0.005 0.000 2.178 121 D HA -0.012 4.629 4.640 0.001 0.000 0.202 121 D C 1.051 177.350 176.300 -0.002 0.000 0.974 121 D CA 1.970 55.968 54.000 -0.004 0.000 0.841 121 D CB -0.069 40.730 40.800 -0.002 0.000 0.953 121 D HN 0.810 nan 8.370 nan 0.000 0.478 122 D N -1.684 118.715 120.400 -0.001 0.000 2.363 122 D HA 0.187 4.827 4.640 0.001 0.000 0.214 122 D C 1.190 177.492 176.300 0.003 0.000 1.093 122 D CA 0.273 54.275 54.000 0.003 0.000 0.837 122 D CB -0.250 40.553 40.800 0.004 0.000 0.948 122 D HN 0.086 nan 8.370 nan 0.000 0.507 123 G N 0.993 109.793 108.800 -0.000 0.000 2.273 123 G HA2 -0.300 3.660 3.960 0.001 0.000 0.280 123 G HA3 -0.300 3.660 3.960 0.001 0.000 0.280 123 G C 0.770 175.672 174.900 0.003 0.000 1.047 123 G CA 0.849 45.949 45.100 0.001 0.000 0.869 123 G HN 0.602 nan 8.290 nan 0.000 0.502 124 T N -3.251 111.300 114.554 -0.005 0.000 3.206 124 T HA 0.520 4.870 4.350 0.001 0.000 0.253 124 T C 0.429 175.122 174.700 -0.011 0.000 1.042 124 T CA 0.253 62.345 62.100 -0.013 0.000 0.931 124 T CB 1.089 69.935 68.868 -0.036 0.000 1.029 124 T HN 0.614 nan 8.240 nan 0.000 0.564 125 V N 1.704 121.620 119.914 0.003 0.000 2.378 125 V HA 0.820 4.940 4.120 0.001 0.000 0.288 125 V C -0.016 176.096 176.094 0.030 0.000 1.016 125 V CA -0.919 61.390 62.300 0.016 0.000 0.840 125 V CB 0.863 32.696 31.823 0.017 0.000 0.994 125 V HN 0.660 nan 8.190 nan 0.000 0.431 126 A N 4.400 127.246 122.820 0.043 0.000 2.454 126 A HA 0.881 5.202 4.320 0.001 0.000 0.302 126 A C -1.047 176.586 177.584 0.082 0.000 1.079 126 A CA -0.780 51.289 52.037 0.053 0.000 0.731 126 A CB 1.584 20.608 19.000 0.041 0.000 1.299 126 A HN 0.805 nan 8.150 nan 0.000 0.413 127 L N 1.116 122.398 121.223 0.099 0.000 2.410 127 L HA 0.476 4.816 4.340 0.001 0.000 0.273 127 L C 0.575 177.520 176.870 0.126 0.000 1.152 127 L CA 0.675 55.607 54.840 0.153 0.000 0.855 127 L CB 0.256 42.425 42.059 0.184 0.000 1.129 127 L HN 0.678 nan 8.230 nan 0.000 0.463 128 R N 4.548 125.128 120.500 0.133 0.000 2.576 128 R HA 0.558 4.898 4.340 0.001 0.000 0.283 128 R C -0.618 175.748 176.300 0.110 0.000 1.493 128 R CA 0.169 56.331 56.100 0.103 0.000 1.170 128 R CB 0.467 30.809 30.300 0.070 0.000 1.189 128 R HN 1.003 nan 8.270 nan 0.000 0.542 129 G N 2.920 111.810 108.800 0.151 0.000 2.721 129 G HA2 -0.188 3.773 3.960 0.001 0.000 0.686 129 G HA3 -0.188 3.773 3.960 0.001 0.000 0.686 129 G C -1.444 173.575 174.900 0.199 0.000 1.236 129 G CA -0.237 44.923 45.100 0.099 0.000 0.786 129 G HN 0.796 nan 8.290 nan 0.000 0.616 130 Y N -2.567 117.765 120.300 0.053 0.000 2.741 130 Y HA 0.889 5.440 4.550 0.001 0.000 0.339 130 Y C -0.370 175.568 175.900 0.063 0.000 1.226 130 Y CA -0.925 57.157 58.100 -0.030 0.000 1.072 130 Y CB 0.753 39.255 38.460 0.071 0.000 1.331 130 Y HN 2.421 nan 8.280 nan 0.000 0.453 131 A N 1.726 124.648 122.820 0.169 0.000 2.530 131 A HA 0.646 4.967 4.320 0.001 0.000 0.297 131 A C -2.131 175.743 177.584 0.484 0.000 1.059 131 A CA -0.664 51.582 52.037 0.348 0.000 0.782 131 A CB 0.265 19.480 19.000 0.359 0.000 1.301 131 A HN 0.619 nan 8.150 nan 0.000 0.394 132 F N 1.778 121.973 119.950 0.408 0.000 2.370 132 F HA 0.529 5.056 4.527 0.001 0.000 0.324 132 F C 1.584 177.223 175.800 -0.268 0.000 1.116 132 F CA 0.570 58.668 58.000 0.163 0.000 1.123 132 F CB 1.476 40.520 39.000 0.073 0.000 1.238 132 F HN 0.680 nan 8.300 nan 0.000 0.536 133 S N 0.207 115.536 115.700 -0.618 0.000 2.596 133 S HA 0.053 4.523 4.470 0.001 0.000 0.260 133 S C 1.107 175.583 174.600 -0.207 0.000 1.336 133 S CA -0.404 57.287 58.200 -0.848 0.000 0.993 133 S CB 0.930 63.601 63.200 -0.882 0.000 0.923 133 S HN 0.708 nan 8.310 nan 0.000 0.567 134 E N 1.329 121.444 120.200 -0.141 0.000 2.085 134 E HA -0.231 4.120 4.350 0.001 0.000 0.194 134 E C 1.245 177.778 176.600 -0.112 0.000 0.994 134 E CA 2.041 58.328 56.400 -0.187 0.000 0.801 134 E CB -0.521 28.916 29.700 -0.439 0.000 0.743 134 E HN 0.844 nan 8.360 nan 0.000 0.453 135 D N -1.057 119.300 120.400 -0.071 0.000 2.349 135 D HA 0.056 4.696 4.640 0.001 0.000 0.224 135 D C 1.298 177.578 176.300 -0.034 0.000 1.029 135 D CA 0.818 54.798 54.000 -0.033 0.000 0.879 135 D CB -0.396 40.410 40.800 0.010 0.000 0.906 135 D HN 0.350 nan 8.370 nan 0.000 0.528 136 G N 0.531 109.307 108.800 -0.041 0.000 2.168 136 G HA2 -0.322 3.639 3.960 0.001 0.000 0.257 136 G HA3 -0.322 3.639 3.960 0.001 0.000 0.257 136 G C 0.820 175.743 174.900 0.039 0.000 0.997 136 G CA 0.466 45.555 45.100 -0.019 0.000 0.708 136 G HN 0.403 nan 8.290 nan 0.000 0.520 137 E N -1.358 118.853 120.200 0.019 0.000 2.452 137 E HA 0.199 4.550 4.350 0.001 0.000 0.197 137 E C 0.117 176.568 176.600 -0.249 0.000 1.022 137 E CA 0.433 56.796 56.400 -0.061 0.000 0.890 137 E CB 0.380 30.053 29.700 -0.045 0.000 0.918 137 E HN 0.647 nan 8.360 nan 0.000 0.496 138 Y N -0.610 119.686 120.300 -0.007 0.000 2.512 138 Y HA 0.427 4.978 4.550 0.001 0.000 0.348 138 Y C -0.806 175.156 175.900 0.103 0.000 0.990 138 Y CA -1.258 56.861 58.100 0.031 0.000 1.033 138 Y CB 1.724 40.083 38.460 -0.168 0.000 1.259 138 Y HN -0.201 nan 8.280 nan 0.000 0.461 139 F N 2.086 122.220 119.950 0.307 0.000 2.547 139 F HA 0.859 5.387 4.527 0.001 0.000 0.316 139 F C -1.225 174.810 175.800 0.392 0.000 1.121 139 F CA -0.976 57.101 58.000 0.129 0.000 0.911 139 F CB 1.195 40.146 39.000 -0.081 0.000 1.179 139 F HN 0.514 nan 8.300 nan 0.000 0.443 140 A N 5.689 128.356 122.820 -0.255 0.000 2.342 140 A HA 0.776 5.097 4.320 0.001 0.000 0.323 140 A C -2.025 175.036 177.584 -0.872 0.000 1.125 140 A CA -0.516 51.107 52.037 -0.692 0.000 0.785 140 A CB 0.677 19.304 19.000 -0.622 0.000 1.221 140 A HN 0.975 nan 8.150 nan 0.000 0.463 141 Y N -0.481 119.293 120.300 -0.878 0.000 2.534 141 Y HA 0.771 5.322 4.550 0.001 0.000 0.345 141 Y C 0.120 175.838 175.900 -0.303 0.000 1.031 141 Y CA -0.930 56.845 58.100 -0.542 0.000 1.022 141 Y CB 1.124 39.306 38.460 -0.462 0.000 1.292 141 Y HN 0.821 nan 8.280 nan 0.000 0.459 142 G N 2.851 111.606 108.800 -0.076 0.000 2.389 142 G HA2 0.656 4.616 3.960 0.001 0.000 0.328 142 G HA3 0.656 4.616 3.960 0.001 0.000 0.328 142 G C -1.678 173.240 174.900 0.030 0.000 1.133 142 G CA -1.065 43.976 45.100 -0.097 0.000 0.891 142 G HN 0.730 nan 8.290 nan 0.000 0.485 143 L N 1.173 122.392 121.223 -0.008 0.000 2.385 143 L HA 0.500 4.841 4.340 0.001 0.000 0.273 143 L C -0.164 176.732 176.870 0.043 0.000 0.990 143 L CA -0.669 54.201 54.840 0.051 0.000 0.821 143 L CB 2.394 44.484 42.059 0.052 0.000 1.279 143 L HN 0.436 nan 8.230 nan 0.000 0.412 144 S N 1.593 117.328 115.700 0.058 0.000 2.503 144 S HA 0.794 5.265 4.470 0.001 0.000 0.301 144 S C -0.378 174.250 174.600 0.046 0.000 1.087 144 S CA -0.623 57.616 58.200 0.064 0.000 1.042 144 S CB 2.038 65.279 63.200 0.069 0.000 1.043 144 S HN 0.653 nan 8.310 nan 0.000 0.489 145 A N 1.360 124.205 122.820 0.042 0.000 2.304 145 A HA 0.724 5.045 4.320 0.001 0.000 0.323 145 A C 0.566 178.114 177.584 -0.060 0.000 1.195 145 A CA -0.615 51.419 52.037 -0.005 0.000 0.826 145 A CB 0.202 19.197 19.000 -0.008 0.000 1.184 145 A HN 1.173 nan 8.150 nan 0.000 0.496 146 S N 0.927 116.558 115.700 -0.115 0.000 3.587 146 S HA -0.158 4.313 4.470 0.001 0.000 0.337 146 S C 1.385 175.926 174.600 -0.097 0.000 1.119 146 S CA 1.806 59.875 58.200 -0.218 0.000 0.976 146 S CB -1.558 61.256 63.200 -0.644 0.000 0.922 146 S HN 2.806 nan 8.310 nan 0.000 0.503 147 G N -0.174 108.627 108.800 0.002 0.000 2.179 147 G HA2 -0.317 3.643 3.960 0.001 0.000 0.260 147 G HA3 -0.317 3.643 3.960 0.001 0.000 0.260 147 G C 0.171 175.139 174.900 0.114 0.000 0.977 147 G CA 0.798 45.938 45.100 0.067 0.000 0.641 147 G HN 1.516 nan 8.290 nan 0.000 0.533 148 S N -0.277 115.500 115.700 0.130 0.000 2.585 148 S HA 0.390 4.860 4.470 0.001 0.000 0.273 148 S C 1.299 175.949 174.600 0.084 0.000 1.339 148 S CA 0.449 58.747 58.200 0.164 0.000 1.028 148 S CB 0.680 64.045 63.200 0.276 0.000 0.906 148 S HN 0.189 nan 8.310 nan 0.000 0.528 149 D N 1.920 122.303 120.400 -0.027 0.000 2.277 149 D HA 0.008 4.649 4.640 0.001 0.000 0.208 149 D C -0.087 176.076 176.300 -0.228 0.000 0.962 149 D CA 0.334 54.223 54.000 -0.185 0.000 0.865 149 D CB 0.003 40.573 40.800 -0.383 0.000 0.939 149 D HN 0.607 nan 8.370 nan 0.000 0.510 150 W N 1.028 122.273 121.300 -0.091 0.000 2.223 150 W HA 0.136 4.796 4.660 0.001 0.000 0.334 150 W C 0.262 176.751 176.519 -0.050 0.000 1.334 150 W CA -0.346 56.956 57.345 -0.072 0.000 1.246 150 W CB 0.647 30.091 29.460 -0.027 0.000 1.184 150 W HN -0.362 nan 8.180 nan 0.000 0.563 151 V N 2.729 122.798 119.914 0.259 0.000 2.914 151 V HA 0.526 4.647 4.120 0.001 0.000 0.314 151 V C -0.193 175.940 176.094 0.065 0.000 1.084 151 V CA -1.000 61.367 62.300 0.112 0.000 0.963 151 V CB 2.250 34.102 31.823 0.049 0.000 1.025 151 V HN 0.397 nan 8.190 nan 0.000 0.432 152 T N 4.131 118.671 114.554 -0.024 0.000 2.812 152 T HA 0.624 4.974 4.350 0.001 0.000 0.282 152 T C -0.427 174.148 174.700 -0.209 0.000 0.990 152 T CA -0.139 61.901 62.100 -0.100 0.000 0.960 152 T CB 0.869 69.680 68.868 -0.095 0.000 0.948 152 T HN 0.396 nan 8.240 nan 0.000 0.438 153 I N 3.800 124.196 120.570 -0.289 0.000 2.331 153 I HA 0.407 4.577 4.170 0.001 0.000 0.292 153 I C 0.425 176.208 176.117 -0.557 0.000 0.998 153 I CA -0.620 60.394 61.300 -0.478 0.000 1.267 153 I CB 1.005 38.700 38.000 -0.509 0.000 1.386 153 I HN 0.334 nan 8.210 nan 0.000 0.476 154 K N 5.311 125.178 120.400 -0.888 0.000 2.295 154 K HA 0.703 5.023 4.320 0.001 0.000 0.239 154 K C -1.348 174.742 176.600 -0.850 0.000 0.991 154 K CA -0.711 55.139 56.287 -0.729 0.000 0.845 154 K CB 2.197 34.264 32.500 -0.722 0.000 1.197 154 K HN 0.216 nan 8.250 nan 0.000 0.441 155 F N 0.733 120.596 119.950 -0.145 0.000 2.577 155 F HA 0.558 5.086 4.527 0.001 0.000 0.318 155 F C -0.105 175.896 175.800 0.336 0.000 1.065 155 F CA -0.778 57.310 58.000 0.147 0.000 0.929 155 F CB 1.835 40.935 39.000 0.167 0.000 1.237 155 F HN 0.168 nan 8.300 nan 0.000 0.468 156 M N 1.599 121.580 119.600 0.635 0.000 2.531 156 M HA 0.349 4.830 4.480 0.001 0.000 0.286 156 M C -1.144 175.426 176.300 0.450 0.000 1.232 156 M CA -0.859 54.728 55.300 0.478 0.000 0.877 156 M CB 3.052 35.892 32.600 0.400 0.000 1.726 156 M HN 0.446 nan 8.290 nan 0.000 0.463 157 K N 1.490 122.033 120.400 0.239 0.000 2.240 157 K HA 0.398 4.718 4.320 0.001 0.000 0.271 157 K C 0.211 176.859 176.600 0.079 0.000 1.018 157 K CA -0.321 55.935 56.287 -0.051 0.000 0.874 157 K CB 1.423 33.872 32.500 -0.084 0.000 1.098 157 K HN 0.618 nan 8.250 nan 0.000 0.458 158 V N 2.368 122.350 119.914 0.112 0.000 2.282 158 V HA -0.239 3.881 4.120 0.001 0.000 0.249 158 V C 0.793 177.015 176.094 0.213 0.000 1.057 158 V CA 1.712 64.204 62.300 0.319 0.000 1.032 158 V CB -0.526 31.419 31.823 0.204 0.000 0.645 158 V HN 0.858 nan 8.190 nan 0.000 0.447 159 D N 0.047 120.474 120.400 0.046 0.000 2.368 159 D HA 0.350 4.990 4.640 0.001 0.000 0.268 159 D C 1.085 177.409 176.300 0.039 0.000 1.298 159 D CA 1.163 55.179 54.000 0.026 0.000 0.938 159 D CB -0.008 40.782 40.800 -0.017 0.000 1.101 159 D HN 0.474 nan 8.370 nan 0.000 0.509 160 G N 3.203 112.035 108.800 0.054 0.000 2.176 160 G HA2 -0.149 3.812 3.960 0.001 0.000 0.253 160 G HA3 -0.149 3.812 3.960 0.001 0.000 0.253 160 G C 0.767 175.682 174.900 0.025 0.000 0.979 160 G CA 0.357 45.476 45.100 0.033 0.000 0.641 160 G HN 1.676 nan 8.290 nan 0.000 0.530 161 A N -1.162 121.697 122.820 0.066 0.000 2.560 161 A HA -0.099 4.221 4.320 0.001 0.000 0.299 161 A C 0.771 178.313 177.584 -0.070 0.000 1.484 161 A CA 2.087 54.082 52.037 -0.069 0.000 0.749 161 A CB -1.065 17.785 19.000 -0.251 0.000 1.072 161 A HN 0.865 nan 8.150 nan 0.000 0.426 162 K N 0.702 121.109 120.400 0.012 0.000 2.258 162 K HA 0.252 4.572 4.320 0.001 0.000 0.284 162 K C 0.388 177.035 176.600 0.079 0.000 1.051 162 K CA -0.213 56.095 56.287 0.036 0.000 0.923 162 K CB 0.982 33.516 32.500 0.057 0.000 1.046 162 K HN 0.769 nan 8.250 nan 0.000 0.474 163 E N 3.678 123.920 120.200 0.070 0.000 2.316 163 E HA 0.126 4.477 4.350 0.001 0.000 0.275 163 E C -0.617 176.068 176.600 0.142 0.000 1.029 163 E CA -0.263 56.207 56.400 0.116 0.000 0.871 163 E CB 0.536 30.284 29.700 0.080 0.000 1.022 163 E HN 0.347 nan 8.360 nan 0.000 0.418 164 L N 6.042 127.386 121.223 0.201 0.000 2.352 164 L HA 0.382 4.723 4.340 0.001 0.000 0.269 164 L C -1.315 175.636 176.870 0.135 0.000 1.034 164 L CA -1.863 53.089 54.840 0.187 0.000 0.806 164 L CB 1.366 43.585 42.059 0.267 0.000 1.244 164 L HN 0.640 nan 8.230 nan 0.000 0.447 165 P HA -0.018 nan 4.420 nan 0.000 0.227 165 P C -0.369 176.946 177.300 0.026 0.000 1.161 165 P CA 0.195 63.323 63.100 0.046 0.000 0.788 165 P CB 0.014 31.729 31.700 0.026 0.000 0.822 166 D N 0.501 120.914 120.400 0.021 0.000 2.533 166 D HA 0.156 4.796 4.640 0.001 0.000 0.236 166 D C -0.129 176.172 176.300 0.002 0.000 1.137 166 D CA 0.756 54.729 54.000 -0.046 0.000 0.867 166 D CB 0.421 41.082 40.800 -0.231 0.000 1.170 166 D HN -0.100 nan 8.370 nan 0.000 0.474 167 V N 3.550 123.393 119.914 -0.119 0.000 2.668 167 V HA 0.292 4.413 4.120 0.001 0.000 0.304 167 V C -0.439 175.508 176.094 -0.244 0.000 1.071 167 V CA -0.801 61.418 62.300 -0.136 0.000 0.894 167 V CB 1.587 33.349 31.823 -0.102 0.000 1.008 167 V HN 0.382 nan 8.190 nan 0.000 0.425 168 L N 4.540 125.589 121.223 -0.289 0.000 2.313 168 L HA 0.695 5.035 4.340 0.001 0.000 0.283 168 L C -0.140 176.597 176.870 -0.222 0.000 1.013 168 L CA -0.506 54.114 54.840 -0.367 0.000 0.816 168 L CB 1.798 43.468 42.059 -0.648 0.000 1.236 168 L HN 0.528 nan 8.230 nan 0.000 0.419 169 E N 2.346 122.457 120.200 -0.147 0.000 2.264 169 E HA 0.467 4.818 4.350 0.001 0.000 0.260 169 E C -0.163 176.445 176.600 0.013 0.000 0.961 169 E CA -0.836 55.517 56.400 -0.078 0.000 0.834 169 E CB 1.618 31.258 29.700 -0.099 0.000 1.230 169 E HN 0.374 nan 8.360 nan 0.000 0.412 170 R N -1.182 119.335 120.500 0.028 0.000 3.770 170 R HA -0.130 4.211 4.340 0.001 0.000 0.305 170 R C -0.407 176.183 176.300 0.483 0.000 1.184 170 R CA 0.186 56.392 56.100 0.176 0.000 0.823 170 R CB -2.114 28.271 30.300 0.141 0.000 1.285 170 R HN 0.154 nan 8.270 nan 0.000 0.499 171 V N 1.140 121.288 119.914 0.390 0.000 2.498 171 V HA 0.381 4.502 4.120 0.001 0.000 0.279 171 V C 0.445 176.740 176.094 0.336 0.000 1.048 171 V CA 0.161 62.670 62.300 0.347 0.000 0.967 171 V CB 1.590 33.524 31.823 0.184 0.000 0.988 171 V HN 0.172 nan 8.190 nan 0.000 0.473 172 K N 4.037 124.559 120.400 0.203 0.000 2.570 172 K HA 0.411 4.732 4.320 0.001 0.000 0.256 172 K C -0.719 175.833 176.600 -0.080 0.000 0.939 172 K CA -0.793 55.390 56.287 -0.174 0.000 0.833 172 K CB 1.043 33.215 32.500 -0.546 0.000 1.318 172 K HN 0.427 nan 8.250 nan 0.000 0.433 173 F N 0.300 120.314 119.950 0.108 0.000 3.027 173 F HA -0.270 4.257 4.527 0.001 0.000 0.276 173 F C 0.178 176.029 175.800 0.087 0.000 0.967 173 F CA 0.544 58.599 58.000 0.091 0.000 0.929 173 F CB -1.225 37.843 39.000 0.113 0.000 0.873 173 F HN 0.332 nan 8.300 nan 0.000 0.787 174 S N 0.100 115.914 115.700 0.191 0.000 2.608 174 S HA 0.715 5.186 4.470 0.001 0.000 0.291 174 S C 0.283 174.976 174.600 0.155 0.000 1.146 174 S CA -0.316 57.986 58.200 0.170 0.000 1.043 174 S CB 1.040 64.354 63.200 0.191 0.000 1.037 174 S HN 0.531 nan 8.310 nan 0.000 0.520 175 C N 3.398 122.795 119.300 0.162 0.000 2.403 175 C HA 0.801 5.261 4.460 0.001 0.000 0.361 175 C C -0.133 174.972 174.990 0.192 0.000 1.274 175 C CA -0.881 58.233 59.018 0.159 0.000 2.433 175 C CB -0.398 27.436 27.740 0.158 0.000 2.323 175 C HN 0.828 nan 8.230 nan 0.000 0.614 176 M N 2.070 121.781 119.600 0.185 0.000 2.213 176 M HA 0.514 4.994 4.480 0.001 0.000 0.243 176 M C -0.773 175.679 176.300 0.253 0.000 0.979 176 M CA 0.041 55.449 55.300 0.180 0.000 1.037 176 M CB 1.767 34.419 32.600 0.087 0.000 2.200 176 M HN 1.043 nan 8.290 nan 0.000 0.465 177 A N 2.952 125.971 122.820 0.331 0.000 2.442 177 A HA 0.718 5.039 4.320 0.001 0.000 0.284 177 A C -1.971 175.936 177.584 0.538 0.000 1.058 177 A CA -0.466 51.845 52.037 0.457 0.000 0.738 177 A CB 0.788 20.055 19.000 0.445 0.000 1.242 177 A HN 0.824 nan 8.150 nan 0.000 0.421 178 W N 2.069 123.599 121.300 0.384 0.000 2.218 178 W HA 0.461 5.121 4.660 0.001 0.000 0.326 178 W C 1.062 177.847 176.519 0.444 0.000 1.276 178 W CA 0.443 58.005 57.345 0.361 0.000 1.210 178 W CB 1.021 30.654 29.460 0.289 0.000 1.143 178 W HN 0.726 nan 8.180 nan 0.000 0.563 179 T N -1.205 113.745 114.554 0.660 0.000 2.913 179 T HA 0.088 4.439 4.350 0.001 0.000 0.297 179 T C 0.818 175.856 174.700 0.563 0.000 1.029 179 T CA -0.368 62.072 62.100 0.565 0.000 1.104 179 T CB 0.672 69.782 68.868 0.403 0.000 0.964 179 T HN 0.562 nan 8.240 nan 0.000 0.532 180 H N 0.741 119.976 119.070 0.275 0.000 2.543 180 H HA -0.080 4.476 4.556 0.001 0.000 0.286 180 H C 1.498 176.928 175.328 0.171 0.000 1.037 180 H CA 0.951 57.125 56.048 0.211 0.000 1.250 180 H CB 0.200 30.064 29.762 0.170 0.000 1.373 180 H HN 0.772 nan 8.280 nan 0.000 0.580 181 D N -0.204 120.366 120.400 0.284 0.000 2.363 181 D HA -0.023 4.617 4.640 0.001 0.000 0.220 181 D C 1.746 178.156 176.300 0.183 0.000 0.994 181 D CA 0.782 54.897 54.000 0.192 0.000 0.890 181 D CB -0.391 40.498 40.800 0.148 0.000 0.906 181 D HN 0.369 nan 8.370 nan 0.000 0.530 182 G N 1.112 110.061 108.800 0.248 0.000 2.155 182 G HA2 -0.438 3.523 3.960 0.001 0.000 0.257 182 G HA3 -0.438 3.523 3.960 0.001 0.000 0.257 182 G C 0.910 175.943 174.900 0.222 0.000 0.983 182 G CA 0.721 45.964 45.100 0.238 0.000 0.676 182 G HN 0.566 nan 8.290 nan 0.000 0.528 183 K N -0.077 120.451 120.400 0.214 0.000 2.167 183 K HA 0.387 4.708 4.320 0.001 0.000 0.203 183 K C 1.376 177.980 176.600 0.007 0.000 1.052 183 K CA 1.534 57.890 56.287 0.115 0.000 0.956 183 K CB -0.052 32.532 32.500 0.140 0.000 0.735 183 K HN 0.976 nan 8.250 nan 0.000 0.451 184 G N -0.127 108.695 108.800 0.035 0.000 2.489 184 G HA2 0.365 4.325 3.960 0.001 0.000 0.305 184 G HA3 0.365 4.325 3.960 0.001 0.000 0.305 184 G C -1.983 172.612 174.900 -0.507 0.000 1.311 184 G CA -0.766 44.023 45.100 -0.518 0.000 0.813 184 G HN 0.090 nan 8.290 nan 0.000 0.480 185 M N 0.236 119.328 119.600 -0.847 0.000 2.386 185 M HA 0.671 5.152 4.480 0.001 0.000 0.293 185 M C -1.531 174.665 176.300 -0.174 0.000 1.120 185 M CA -0.730 54.276 55.300 -0.490 0.000 0.909 185 M CB 1.897 33.971 32.600 -0.876 0.000 1.661 185 M HN 0.402 nan 8.290 nan 0.000 0.452 186 F N 4.114 124.216 119.950 0.253 0.000 2.418 186 F HA 0.492 5.019 4.527 0.001 0.000 0.341 186 F C -0.203 175.785 175.800 0.313 0.000 1.120 186 F CA 0.417 58.619 58.000 0.336 0.000 1.232 186 F CB 0.708 39.900 39.000 0.320 0.000 1.175 186 F HN 0.576 nan 8.300 nan 0.000 0.569 187 Y N -0.644 119.875 120.300 0.363 0.000 2.713 187 Y HA 0.480 5.030 4.550 0.001 0.000 0.335 187 Y C -2.046 174.002 175.900 0.247 0.000 1.222 187 Y CA -1.769 56.467 58.100 0.227 0.000 1.061 187 Y CB 0.843 39.376 38.460 0.122 0.000 1.314 187 Y HN 0.530 nan 8.280 nan 0.000 0.453 188 N N 0.754 119.537 118.700 0.139 0.000 2.405 188 N HA 0.829 5.569 4.740 0.001 0.000 0.299 188 N C -1.445 174.173 175.510 0.181 0.000 1.075 188 N CA -0.610 52.467 53.050 0.045 0.000 0.884 188 N CB 2.114 40.628 38.487 0.046 0.000 1.194 188 N HN 0.925 nan 8.380 nan 0.000 0.491 189 A N 1.353 124.265 122.820 0.154 0.000 2.539 189 A HA 0.593 4.914 4.320 0.001 0.000 0.296 189 A C -1.835 175.853 177.584 0.173 0.000 1.073 189 A CA -0.496 51.710 52.037 0.283 0.000 0.700 189 A CB 0.750 19.979 19.000 0.382 0.000 1.296 189 A HN 0.644 nan 8.150 nan 0.000 0.405 190 Y N 0.823 121.339 120.300 0.360 0.000 2.419 190 Y HA 0.504 5.055 4.550 0.001 0.000 0.328 190 Y C -1.885 174.184 175.900 0.282 0.000 1.162 190 Y CA -1.666 56.638 58.100 0.339 0.000 1.174 190 Y CB 1.304 40.013 38.460 0.414 0.000 1.228 190 Y HN 0.493 nan 8.280 nan 0.000 0.473 191 P HA -0.013 nan 4.420 nan 0.000 0.271 191 P C -1.199 176.230 177.300 0.215 0.000 1.244 191 P CA -0.461 62.800 63.100 0.269 0.000 0.793 191 P CB 0.501 32.340 31.700 0.231 0.000 0.984 192 Q N 1.121 120.996 119.800 0.126 0.000 2.313 192 Q HA 0.123 4.463 4.340 0.001 0.000 0.266 192 Q C -0.522 175.523 176.000 0.075 0.000 0.989 192 Q CA 0.495 56.340 55.803 0.071 0.000 0.890 192 Q CB 0.101 28.860 28.738 0.034 0.000 1.200 192 Q HN 0.333 nan 8.270 nan 0.000 0.396 193 Q N 1.680 121.514 119.800 0.056 0.000 2.394 193 Q HA 0.528 4.868 4.340 0.001 0.000 0.273 193 Q C -0.967 175.049 176.000 0.026 0.000 1.089 193 Q CA -1.118 54.721 55.803 0.060 0.000 0.812 193 Q CB 1.581 30.378 28.738 0.099 0.000 1.353 193 Q HN 0.384 nan 8.270 nan 0.000 0.438 194 D N 0.791 121.208 120.400 0.029 0.000 2.361 194 D HA 0.425 5.066 4.640 0.001 0.000 0.239 194 D C 0.838 177.147 176.300 0.015 0.000 1.200 194 D CA 1.644 55.653 54.000 0.015 0.000 0.915 194 D CB 0.655 41.466 40.800 0.017 0.000 1.170 194 D HN 0.932 nan 8.370 nan 0.000 0.444 195 G N 0.401 109.204 108.800 0.005 0.000 2.693 195 G HA2 -0.231 3.730 3.960 0.001 0.000 0.226 195 G HA3 -0.231 3.730 3.960 0.001 0.000 0.226 195 G C -0.411 174.482 174.900 -0.012 0.000 1.354 195 G CA -0.435 44.668 45.100 0.005 0.000 0.873 195 G HN 0.516 nan 8.290 nan 0.000 0.562 196 K N -0.547 119.849 120.400 -0.006 0.000 2.107 196 K HA 0.617 4.937 4.320 0.001 0.000 0.251 196 K C 0.054 176.629 176.600 -0.042 0.000 1.012 196 K CA 0.087 56.356 56.287 -0.030 0.000 0.920 196 K CB 1.089 33.582 32.500 -0.013 0.000 1.033 196 K HN 0.365 nan 8.250 nan 0.000 0.478 197 S N 1.519 117.124 115.700 -0.160 0.000 2.569 197 S HA 0.038 4.509 4.470 0.001 0.000 0.215 197 S C -0.769 173.537 174.600 -0.490 0.000 1.096 197 S CA -0.567 57.386 58.200 -0.411 0.000 1.183 197 S CB 0.005 62.690 63.200 -0.859 0.000 1.324 197 S HN 0.739 nan 8.310 nan 0.000 0.421 198 D N -0.243 120.135 120.400 -0.037 0.000 2.500 198 D HA 0.293 4.933 4.640 0.001 0.000 0.217 198 D C 1.240 177.750 176.300 0.350 0.000 1.159 198 D CA 0.512 54.579 54.000 0.112 0.000 0.828 198 D CB 0.088 40.947 40.800 0.097 0.000 1.039 198 D HN 0.477 nan 8.370 nan 0.000 0.512 199 G N 0.360 109.387 108.800 0.379 0.000 2.201 199 G HA2 -0.295 3.665 3.960 0.001 0.000 0.212 199 G HA3 -0.295 3.665 3.960 0.001 0.000 0.212 199 G C 1.112 176.042 174.900 0.050 0.000 0.994 199 G CA 0.585 45.864 45.100 0.299 0.000 0.644 199 G HN 0.569 nan 8.290 nan 0.000 0.508 200 T N -0.801 113.714 114.554 -0.064 0.000 3.044 200 T HA 0.374 4.725 4.350 0.001 0.000 0.250 200 T C 0.939 175.617 174.700 -0.037 0.000 1.081 200 T CA 0.970 62.977 62.100 -0.155 0.000 1.040 200 T CB 0.307 69.032 68.868 -0.239 0.000 0.962 200 T HN 0.762 nan 8.240 nan 0.000 0.506 201 E N 2.405 122.629 120.200 0.040 0.000 2.345 201 E HA 0.154 4.504 4.350 0.001 0.000 0.259 201 E C 0.415 177.058 176.600 0.072 0.000 1.117 201 E CA 0.027 56.464 56.400 0.062 0.000 0.913 201 E CB 1.182 30.942 29.700 0.101 0.000 1.057 201 E HN 0.293 nan 8.360 nan 0.000 0.432 202 T N -2.121 112.478 114.554 0.076 0.000 3.044 202 T HA 0.137 4.488 4.350 0.001 0.000 0.260 202 T C 0.293 175.109 174.700 0.194 0.000 1.019 202 T CA -0.368 61.802 62.100 0.116 0.000 0.921 202 T CB -0.126 68.784 68.868 0.070 0.000 1.053 202 T HN 0.290 nan 8.240 nan 0.000 0.533 203 S N 2.924 118.709 115.700 0.143 0.000 2.593 203 S HA 0.149 4.619 4.470 0.001 0.000 0.300 203 S C 0.548 175.205 174.600 0.094 0.000 1.267 203 S CA -0.036 58.236 58.200 0.119 0.000 1.065 203 S CB 0.503 63.773 63.200 0.116 0.000 0.807 203 S HN 0.573 nan 8.310 nan 0.000 0.499 204 T N 2.923 117.515 114.554 0.063 0.000 2.930 204 T HA 0.099 4.449 4.350 0.001 0.000 0.306 204 T C -0.006 174.717 174.700 0.039 0.000 1.045 204 T CA -0.371 61.759 62.100 0.050 0.000 1.134 204 T CB -0.224 68.656 68.868 0.020 0.000 0.961 204 T HN 0.621 nan 8.240 nan 0.000 0.545 205 N N 4.373 123.097 118.700 0.041 0.000 2.485 205 N HA 0.523 5.263 4.740 0.001 0.000 0.243 205 N C -0.909 174.683 175.510 0.136 0.000 0.987 205 N CA -0.416 52.559 53.050 -0.124 0.000 0.940 205 N CB 0.803 39.030 38.487 -0.433 0.000 1.122 205 N HN 0.426 nan 8.380 nan 0.000 0.509 206 L N 0.893 122.228 121.223 0.186 0.000 2.327 206 L HA 0.498 4.839 4.340 0.001 0.000 0.258 206 L C -0.004 177.097 176.870 0.385 0.000 1.024 206 L CA -1.029 53.919 54.840 0.179 0.000 0.825 206 L CB 1.438 43.456 42.059 -0.069 0.000 1.386 206 L HN 0.609 nan 8.230 nan 0.000 0.417 207 H N -0.101 119.126 119.070 0.263 0.000 2.826 207 H HA -0.162 4.395 4.556 0.001 0.000 0.306 207 H C 0.053 175.483 175.328 0.170 0.000 1.235 207 H CA 0.465 56.633 56.048 0.201 0.000 1.150 207 H CB -0.800 29.054 29.762 0.154 0.000 1.409 207 H HN 0.614 nan 8.280 nan 0.000 0.420 208 Q N 1.148 121.042 119.800 0.156 0.000 2.337 208 Q HA 0.239 4.580 4.340 0.001 0.000 0.270 208 Q C -0.105 175.850 176.000 -0.075 0.000 1.002 208 Q CA 0.315 55.966 55.803 -0.253 0.000 0.888 208 Q CB 0.747 29.221 28.738 -0.440 0.000 1.222 208 Q HN 0.352 nan 8.270 nan 0.000 0.400 209 K N 2.658 122.969 120.400 -0.148 0.000 2.350 209 K HA 0.472 4.793 4.320 0.001 0.000 0.241 209 K C -1.293 175.099 176.600 -0.347 0.000 0.994 209 K CA -0.992 55.123 56.287 -0.286 0.000 0.839 209 K CB 1.385 33.624 32.500 -0.435 0.000 1.244 209 K HN 0.421 nan 8.250 nan 0.000 0.443 210 L N 2.069 123.044 121.223 -0.413 0.000 2.272 210 L HA 0.416 4.757 4.340 0.001 0.000 0.289 210 L C -1.613 175.040 176.870 -0.362 0.000 1.032 210 L CA -0.019 54.672 54.840 -0.249 0.000 0.810 210 L CB 0.296 42.312 42.059 -0.073 0.000 1.205 210 L HN 0.484 nan 8.230 nan 0.000 0.422 211 Y N 3.753 123.933 120.300 -0.200 0.000 2.621 211 Y HA 0.507 5.058 4.550 0.001 0.000 0.334 211 Y C -1.237 174.692 175.900 0.047 0.000 1.074 211 Y CA -0.397 57.605 58.100 -0.163 0.000 1.149 211 Y CB 1.760 39.947 38.460 -0.454 0.000 1.302 211 Y HN 0.510 nan 8.280 nan 0.000 0.501 212 Y N 1.146 121.554 120.300 0.180 0.000 2.346 212 Y HA 0.379 4.929 4.550 0.001 0.000 0.332 212 Y C -1.308 174.670 175.900 0.131 0.000 0.985 212 Y CA -1.128 56.958 58.100 -0.024 0.000 1.112 212 Y CB 0.679 38.946 38.460 -0.322 0.000 1.170 212 Y HN 0.697 nan 8.280 nan 0.000 0.447 213 H N 4.942 123.789 119.070 -0.372 0.000 2.519 213 H HA 0.589 5.145 4.556 0.001 0.000 0.316 213 H C -1.417 173.498 175.328 -0.689 0.000 1.065 213 H CA -0.562 55.271 56.048 -0.359 0.000 1.264 213 H CB 1.025 30.633 29.762 -0.257 0.000 1.413 213 H HN 0.521 nan 8.280 nan 0.000 0.465 214 V N 6.954 126.296 119.914 -0.953 0.000 2.488 214 V HA 0.016 4.136 4.120 0.001 0.000 0.277 214 V C 0.255 175.739 176.094 -1.016 0.000 1.046 214 V CA -0.651 61.188 62.300 -0.769 0.000 0.986 214 V CB 0.596 32.201 31.823 -0.363 0.000 0.989 214 V HN 0.673 nan 8.190 nan 0.000 0.475 215 L N 5.325 126.115 121.223 -0.722 0.000 2.499 215 L HA 0.497 4.838 4.340 0.001 0.000 0.273 215 L C 1.184 177.823 176.870 -0.386 0.000 1.195 215 L CA 1.880 56.368 54.840 -0.586 0.000 0.882 215 L CB 0.346 42.189 42.059 -0.360 0.000 1.133 215 L HN 0.971 nan 8.230 nan 0.000 0.483 216 G N 1.659 110.285 108.800 -0.290 0.000 2.157 216 G HA2 -0.227 3.733 3.960 0.001 0.000 0.239 216 G HA3 -0.227 3.733 3.960 0.001 0.000 0.239 216 G C 0.242 175.061 174.900 -0.135 0.000 0.982 216 G CA 0.333 45.338 45.100 -0.158 0.000 0.650 216 G HN 1.055 nan 8.290 nan 0.000 0.527 217 T N -2.063 112.383 114.554 -0.179 0.000 2.926 217 T HA 0.668 5.018 4.350 0.001 0.000 0.289 217 T C -0.712 174.007 174.700 0.031 0.000 1.054 217 T CA -0.484 61.559 62.100 -0.095 0.000 1.015 217 T CB 2.626 71.405 68.868 -0.147 0.000 1.167 217 T HN -0.015 nan 8.240 nan 0.000 0.526 218 D N 0.748 121.157 120.400 0.015 0.000 2.313 218 D HA 0.128 4.769 4.640 0.001 0.000 0.247 218 D C 1.129 177.451 176.300 0.037 0.000 1.094 218 D CA -0.284 53.725 54.000 0.016 0.000 0.925 218 D CB 1.566 42.359 40.800 -0.011 0.000 1.188 218 D HN 0.797 nan 8.370 nan 0.000 0.430 219 Q N 0.915 120.697 119.800 -0.030 0.000 2.234 219 Q HA -0.180 4.161 4.340 0.001 0.000 0.206 219 Q C 1.596 177.577 176.000 -0.033 0.000 0.980 219 Q CA 1.595 57.363 55.803 -0.058 0.000 0.869 219 Q CB 0.124 28.771 28.738 -0.151 0.000 0.912 219 Q HN 0.513 nan 8.270 nan 0.000 0.436 220 S N -0.164 115.517 115.700 -0.031 0.000 2.442 220 S HA -0.154 4.316 4.470 0.001 0.000 0.236 220 S C 1.262 175.863 174.600 0.001 0.000 1.007 220 S CA 1.247 59.432 58.200 -0.024 0.000 0.965 220 S CB -0.157 63.031 63.200 -0.019 0.000 0.773 220 S HN 0.472 nan 8.310 nan 0.000 0.504 221 E N 1.147 121.356 120.200 0.015 0.000 2.435 221 E HA 0.064 4.414 4.350 0.001 0.000 0.195 221 E C -0.541 176.093 176.600 0.056 0.000 1.029 221 E CA -0.056 56.359 56.400 0.025 0.000 0.865 221 E CB -0.085 29.618 29.700 0.005 0.000 0.833 221 E HN 0.513 nan 8.360 nan 0.000 0.510 222 D N 1.083 121.530 120.400 0.079 0.000 2.525 222 D HA -0.040 4.601 4.640 0.001 0.000 0.235 222 D C -0.008 176.421 176.300 0.215 0.000 1.137 222 D CA 0.518 54.608 54.000 0.150 0.000 0.868 222 D CB 0.624 41.523 40.800 0.165 0.000 1.180 222 D HN -0.055 nan 8.370 nan 0.000 0.465 223 I N 2.553 123.281 120.570 0.263 0.000 2.371 223 I HA 0.064 4.235 4.170 0.001 0.000 0.290 223 I C 0.323 176.632 176.117 0.319 0.000 1.028 223 I CA -0.781 60.670 61.300 0.253 0.000 1.345 223 I CB 0.614 38.734 38.000 0.201 0.000 1.407 223 I HN 0.235 nan 8.210 nan 0.000 0.501 224 L N 7.575 128.939 121.223 0.235 0.000 2.325 224 L HA 0.191 4.532 4.340 0.001 0.000 0.284 224 L C 0.559 177.447 176.870 0.031 0.000 1.089 224 L CA 0.470 55.322 54.840 0.019 0.000 0.836 224 L CB 0.613 42.663 42.059 -0.014 0.000 1.184 224 L HN 0.718 nan 8.230 nan 0.000 0.444 225 C N 3.942 123.276 119.300 0.058 0.000 2.674 225 C HA 0.727 5.188 4.460 0.001 0.000 0.276 225 C C 0.925 176.078 174.990 0.272 0.000 1.300 225 C CA 0.103 59.243 59.018 0.204 0.000 1.732 225 C CB -1.201 26.782 27.740 0.405 0.000 2.076 225 C HN 0.920 nan 8.230 nan 0.000 0.548 226 A N 1.023 123.863 122.820 0.033 0.000 2.555 226 A HA 0.655 4.976 4.320 0.001 0.000 0.297 226 A C -1.156 176.121 177.584 -0.510 0.000 1.060 226 A CA -0.410 51.556 52.037 -0.119 0.000 0.710 226 A CB 0.947 19.880 19.000 -0.113 0.000 1.282 226 A HN 0.489 nan 8.150 nan 0.000 0.399 227 E N 0.270 120.030 120.200 -0.733 0.000 2.390 227 E HA 0.714 5.064 4.350 0.001 0.000 0.280 227 E C -1.837 174.205 176.600 -0.931 0.000 0.992 227 E CA -0.887 55.011 56.400 -0.836 0.000 0.790 227 E CB 1.389 30.877 29.700 -0.353 0.000 1.248 227 E HN 0.550 nan 8.360 nan 0.000 0.447 228 F N 1.123 121.091 119.950 0.029 0.000 2.660 228 F HA 0.347 4.874 4.527 0.001 0.000 0.352 228 F C -1.878 173.905 175.800 -0.028 0.000 1.257 228 F CA -1.863 56.116 58.000 -0.035 0.000 1.200 228 F CB 1.442 40.391 39.000 -0.086 0.000 1.473 228 F HN 0.335 nan 8.300 nan 0.000 0.561 229 P HA -0.169 nan 4.420 nan 0.000 0.219 229 P C 0.519 177.897 177.300 0.129 0.000 1.146 229 P CA 1.520 64.716 63.100 0.161 0.000 0.808 229 P CB 0.481 32.206 31.700 0.042 0.000 0.779 230 D N -0.355 120.042 120.400 -0.005 0.000 2.348 230 D HA 0.002 4.643 4.640 0.001 0.000 0.211 230 D C 0.447 176.621 176.300 -0.210 0.000 0.998 230 D CA 0.833 54.784 54.000 -0.082 0.000 0.873 230 D CB 0.214 40.953 40.800 -0.101 0.000 0.925 230 D HN 0.273 nan 8.370 nan 0.000 0.524 231 E N 0.542 120.543 120.200 -0.333 0.000 3.108 231 E HA 0.175 4.526 4.350 0.001 0.000 0.228 231 E C -1.982 174.406 176.600 -0.354 0.000 1.176 231 E CA -1.622 54.427 56.400 -0.585 0.000 0.881 231 E CB 1.850 30.550 29.700 -1.666 0.000 1.354 231 E HN -0.026 nan 8.360 nan 0.000 0.400 232 P HA -0.157 nan 4.420 nan 0.000 0.218 232 P C 0.898 178.048 177.300 -0.250 0.000 1.146 232 P CA 1.312 64.105 63.100 -0.512 0.000 0.813 232 P CB 0.354 31.720 31.700 -0.556 0.000 0.778 233 K N -3.153 117.174 120.400 -0.120 0.000 2.393 233 K HA 0.006 4.327 4.320 0.001 0.000 0.193 233 K C 0.132 176.870 176.600 0.230 0.000 1.026 233 K CA -0.123 56.163 56.287 -0.001 0.000 1.064 233 K CB 0.014 32.490 32.500 -0.041 0.000 0.833 233 K HN 0.133 nan 8.250 nan 0.000 0.521 234 W N 1.708 122.958 121.300 -0.082 0.000 2.210 234 W HA 0.179 4.840 4.660 0.001 0.000 0.330 234 W C 0.108 176.589 176.519 -0.063 0.000 1.334 234 W CA -0.214 57.023 57.345 -0.179 0.000 1.227 234 W CB 0.016 29.171 29.460 -0.509 0.000 1.178 234 W HN -0.090 nan 8.180 nan 0.000 0.560 235 M N 3.169 122.814 119.600 0.074 0.000 2.151 235 M HA 0.389 4.869 4.480 0.001 0.000 0.290 235 M C 0.390 176.704 176.300 0.023 0.000 0.965 235 M CA -0.368 54.998 55.300 0.109 0.000 0.930 235 M CB 1.875 34.526 32.600 0.085 0.000 1.560 235 M HN 0.502 nan 8.290 nan 0.000 0.438 236 G N 1.809 110.698 108.800 0.148 0.000 2.377 236 G HA2 0.619 4.579 3.960 0.001 0.000 0.316 236 G HA3 0.619 4.579 3.960 0.001 0.000 0.316 236 G C -0.239 174.657 174.900 -0.006 0.000 1.115 236 G CA -0.508 44.612 45.100 0.033 0.000 0.952 236 G HN 0.824 nan 8.290 nan 0.000 0.441 237 G N 0.580 109.360 108.800 -0.034 0.000 2.343 237 G HA2 0.693 4.653 3.960 0.001 0.000 0.319 237 G HA3 0.693 4.653 3.960 0.001 0.000 0.319 237 G C -0.100 174.795 174.900 -0.008 0.000 1.126 237 G CA -0.005 45.102 45.100 0.011 0.000 0.889 237 G HN 0.964 nan 8.290 nan 0.000 0.457 238 A N 2.241 125.067 122.820 0.010 0.000 2.320 238 A HA 0.911 5.231 4.320 0.001 0.000 0.334 238 A C -0.080 177.547 177.584 0.072 0.000 1.147 238 A CA -0.703 51.312 52.037 -0.037 0.000 0.820 238 A CB 1.198 20.017 19.000 -0.302 0.000 1.218 238 A HN 0.921 nan 8.150 nan 0.000 0.482 239 E N 1.507 121.762 120.200 0.092 0.000 2.372 239 E HA 0.496 4.846 4.350 0.001 0.000 0.279 239 E C -1.848 174.859 176.600 0.177 0.000 0.946 239 E CA -0.893 55.618 56.400 0.186 0.000 0.769 239 E CB 1.006 30.829 29.700 0.205 0.000 1.230 239 E HN 0.368 nan 8.360 nan 0.000 0.442 240 L N 2.546 123.923 121.223 0.257 0.000 2.334 240 L HA 0.330 4.670 4.340 0.001 0.000 0.277 240 L C 0.691 177.648 176.870 0.145 0.000 1.075 240 L CA -0.323 54.642 54.840 0.208 0.000 0.804 240 L CB 1.389 43.609 42.059 0.268 0.000 1.174 240 L HN 0.882 nan 8.230 nan 0.000 0.438 241 S N 0.900 116.627 115.700 0.045 0.000 2.576 241 S HA 0.038 4.508 4.470 0.001 0.000 0.272 241 S C 0.777 175.487 174.600 0.185 0.000 1.352 241 S CA -0.646 57.556 58.200 0.004 0.000 1.021 241 S CB 0.757 64.015 63.200 0.097 0.000 0.887 241 S HN 0.548 nan 8.310 nan 0.000 0.542 242 D N 1.365 121.962 120.400 0.329 0.000 2.190 242 D HA -0.128 4.512 4.640 0.001 0.000 0.200 242 D C 1.260 177.712 176.300 0.254 0.000 0.992 242 D CA 1.744 55.922 54.000 0.297 0.000 0.854 242 D CB -0.444 40.474 40.800 0.198 0.000 0.936 242 D HN 0.888 nan 8.370 nan 0.000 0.462 243 D N -1.328 119.147 120.400 0.126 0.000 2.340 243 D HA 0.119 4.760 4.640 0.001 0.000 0.220 243 D C 1.587 177.865 176.300 -0.037 0.000 1.039 243 D CA 0.769 54.822 54.000 0.088 0.000 0.866 243 D CB -0.205 40.634 40.800 0.064 0.000 0.913 243 D HN 0.178 nan 8.370 nan 0.000 0.523 244 G N 1.024 109.607 108.800 -0.361 0.000 2.189 244 G HA2 -0.452 3.509 3.960 0.001 0.000 0.267 244 G HA3 -0.452 3.509 3.960 0.001 0.000 0.267 244 G C 1.159 175.924 174.900 -0.224 0.000 0.975 244 G CA 0.497 45.159 45.100 -0.729 0.000 0.644 244 G HN 0.519 nan 8.290 nan 0.000 0.537 245 R N -0.873 119.562 120.500 -0.108 0.000 2.127 245 R HA 0.210 4.551 4.340 0.001 0.000 0.217 245 R C 0.179 176.316 176.300 -0.273 0.000 1.074 245 R CA 0.762 56.739 56.100 -0.206 0.000 0.991 245 R CB 0.032 30.150 30.300 -0.304 0.000 0.895 245 R HN 0.427 nan 8.270 nan 0.000 0.450 246 Y N -0.489 119.866 120.300 0.093 0.000 2.393 246 Y HA 0.371 4.921 4.550 0.001 0.000 0.341 246 Y C -0.466 175.508 175.900 0.122 0.000 0.988 246 Y CA -1.119 57.076 58.100 0.158 0.000 1.078 246 Y CB 2.136 40.758 38.460 0.270 0.000 1.203 246 Y HN -0.338 nan 8.280 nan 0.000 0.453 247 V N 5.256 125.346 119.914 0.293 0.000 2.364 247 V HA 0.289 4.409 4.120 0.001 0.000 0.272 247 V C -0.203 176.096 176.094 0.342 0.000 1.036 247 V CA -0.715 61.710 62.300 0.208 0.000 0.880 247 V CB 0.642 32.497 31.823 0.054 0.000 0.991 247 V HN 0.568 nan 8.190 nan 0.000 0.460 248 L N 5.957 127.323 121.223 0.239 0.000 2.275 248 L HA 0.525 4.866 4.340 0.001 0.000 0.288 248 L C -0.489 176.481 176.870 0.166 0.000 1.046 248 L CA -0.567 54.423 54.840 0.250 0.000 0.805 248 L CB 1.466 43.618 42.059 0.155 0.000 1.193 248 L HN 0.456 nan 8.230 nan 0.000 0.426 249 L N 3.044 124.333 121.223 0.109 0.000 2.280 249 L HA 0.393 4.733 4.340 0.001 0.000 0.287 249 L C -0.220 176.522 176.870 -0.213 0.000 1.023 249 L CA 0.351 55.090 54.840 -0.169 0.000 0.819 249 L CB 1.536 43.215 42.059 -0.635 0.000 1.212 249 L HN 0.480 nan 8.230 nan 0.000 0.420 250 S N 6.505 122.113 115.700 -0.154 0.000 2.420 250 S HA 0.575 5.046 4.470 0.001 0.000 0.313 250 S C -0.157 174.297 174.600 -0.244 0.000 1.079 250 S CA -0.365 57.747 58.200 -0.147 0.000 1.104 250 S CB 0.265 63.459 63.200 -0.010 0.000 0.969 250 S HN 0.470 nan 8.310 nan 0.000 0.471 251 I N 4.049 124.373 120.570 -0.410 0.000 2.331 251 I HA 0.445 4.615 4.170 0.001 0.000 0.292 251 I C 0.459 176.419 176.117 -0.262 0.000 0.998 251 I CA -0.455 60.551 61.300 -0.491 0.000 1.267 251 I CB 0.976 38.400 38.000 -0.959 0.000 1.386 251 I HN 0.338 nan 8.210 nan 0.000 0.476 252 R N 4.511 124.882 120.500 -0.214 0.000 2.854 252 R HA 0.607 4.948 4.340 0.001 0.000 0.271 252 R C -0.891 175.202 176.300 -0.344 0.000 0.996 252 R CA -0.930 55.055 56.100 -0.191 0.000 0.961 252 R CB 2.577 32.805 30.300 -0.121 0.000 1.182 252 R HN 0.559 nan 8.270 nan 0.000 0.479 253 E N 0.944 120.809 120.200 -0.559 0.000 2.432 253 E HA 0.382 4.732 4.350 0.001 0.000 0.272 253 E C -0.669 175.726 176.600 -0.341 0.000 0.937 253 E CA -0.176 55.944 56.400 -0.468 0.000 0.812 253 E CB 1.092 30.331 29.700 -0.768 0.000 1.377 253 E HN 0.849 nan 8.360 nan 0.000 0.399 254 G N 1.547 110.273 108.800 -0.123 0.000 2.500 254 G HA2 -0.220 3.740 3.960 0.001 0.000 0.209 254 G HA3 -0.220 3.740 3.960 0.001 0.000 0.209 254 G C 0.212 175.106 174.900 -0.010 0.000 1.283 254 G CA -0.296 44.782 45.100 -0.038 0.000 0.960 254 G HN 0.568 nan 8.290 nan 0.000 0.528 255 C N 0.739 120.087 119.300 0.080 0.000 3.243 255 C HA 0.394 4.855 4.460 0.001 0.000 0.286 255 C C 0.525 175.577 174.990 0.103 0.000 1.373 255 C CA -0.513 58.587 59.018 0.137 0.000 1.749 255 C CB -0.929 27.035 27.740 0.374 0.000 2.313 255 C HN 0.619 nan 8.230 nan 0.000 0.644 256 D N 3.176 123.610 120.400 0.057 0.000 2.399 256 D HA 0.110 4.750 4.640 0.001 0.000 0.241 256 D C -1.955 174.368 176.300 0.038 0.000 1.133 256 D CA -0.934 53.111 54.000 0.075 0.000 0.890 256 D CB 0.663 41.493 40.800 0.050 0.000 1.201 256 D HN 0.183 nan 8.370 nan 0.000 0.432 257 P HA 0.040 nan 4.420 nan 0.000 0.237 257 P C -0.715 176.614 177.300 0.048 0.000 1.788 257 P CA -0.121 63.017 63.100 0.063 0.000 1.061 257 P CB -0.175 31.603 31.700 0.129 0.000 1.967 258 V N 0.123 120.058 119.914 0.034 0.000 3.087 258 V HA 0.777 4.897 4.120 0.001 0.000 0.306 258 V C -1.198 174.947 176.094 0.085 0.000 1.187 258 V CA -1.028 61.300 62.300 0.047 0.000 0.999 258 V CB 2.831 34.695 31.823 0.069 0.000 1.049 258 V HN 0.519 nan 8.190 nan 0.000 0.431 259 N N 0.942 119.720 118.700 0.130 0.000 2.745 259 N HA 0.410 5.151 4.740 0.001 0.000 0.256 259 N C -1.411 174.109 175.510 0.015 0.000 1.268 259 N CA -0.906 52.203 53.050 0.098 0.000 0.887 259 N CB 2.285 40.792 38.487 0.034 0.000 1.575 259 N HN 0.828 nan 8.380 nan 0.000 0.496 260 R N 0.141 120.495 120.500 -0.244 0.000 2.500 260 R HA 0.488 4.828 4.340 0.001 0.000 0.275 260 R C -0.579 175.552 176.300 -0.280 0.000 1.051 260 R CA -0.776 55.095 56.100 -0.381 0.000 1.088 260 R CB 0.925 30.778 30.300 -0.745 0.000 1.063 260 R HN 0.454 nan 8.270 nan 0.000 0.511 261 L N 3.470 124.593 121.223 -0.167 0.000 2.415 261 L HA 0.409 4.750 4.340 0.001 0.000 0.268 261 L C -1.791 175.160 176.870 0.135 0.000 0.984 261 L CA -0.348 54.441 54.840 -0.084 0.000 0.853 261 L CB 1.089 43.048 42.059 -0.165 0.000 1.215 261 L HN 0.670 nan 8.230 nan 0.000 0.419 262 W N 4.977 126.197 121.300 -0.134 0.000 2.639 262 W HA 0.580 5.240 4.660 0.001 0.000 0.347 262 W C -0.271 176.337 176.519 0.148 0.000 1.067 262 W CA -0.956 56.333 57.345 -0.093 0.000 1.218 262 W CB 1.109 30.435 29.460 -0.224 0.000 1.393 262 W HN 0.460 nan 8.180 nan 0.000 0.557 263 Y N -0.520 119.992 120.300 0.354 0.000 2.576 263 Y HA 0.698 5.248 4.550 0.001 0.000 0.346 263 Y C -1.056 175.059 175.900 0.358 0.000 1.018 263 Y CA -2.089 56.214 58.100 0.339 0.000 1.050 263 Y CB 1.516 39.985 38.460 0.015 0.000 1.280 263 Y HN 0.481 nan 8.280 nan 0.000 0.474 264 C N 3.632 123.200 119.300 0.447 0.000 2.381 264 C HA 0.392 4.852 4.460 0.001 0.000 0.328 264 C C -0.896 174.222 174.990 0.214 0.000 1.190 264 C CA -0.601 58.444 59.018 0.046 0.000 1.369 264 C CB -0.147 27.260 27.740 -0.555 0.000 2.029 264 C HN 0.921 nan 8.230 nan 0.000 0.448 265 D N 4.773 125.308 120.400 0.225 0.000 2.359 265 D HA 0.108 4.748 4.640 0.001 0.000 0.250 265 D C 1.254 177.492 176.300 -0.103 0.000 1.264 265 D CA 0.106 54.110 54.000 0.007 0.000 0.911 265 D CB 0.610 41.476 40.800 0.110 0.000 1.056 265 D HN 0.741 nan 8.370 nan 0.000 0.499 266 L N 2.783 123.923 121.223 -0.139 0.000 2.187 266 L HA -0.188 4.153 4.340 0.001 0.000 0.213 266 L C 2.408 179.218 176.870 -0.100 0.000 1.100 266 L CA 0.833 55.608 54.840 -0.108 0.000 0.765 266 L CB -0.284 41.732 42.059 -0.073 0.000 0.904 266 L HN 0.495 nan 8.230 nan 0.000 0.437 267 Q N 0.118 119.847 119.800 -0.118 0.000 2.291 267 Q HA -0.204 4.136 4.340 0.001 0.000 0.205 267 Q C 1.707 177.673 176.000 -0.057 0.000 0.970 267 Q CA 1.245 57.000 55.803 -0.080 0.000 0.876 267 Q CB 0.133 28.820 28.738 -0.086 0.000 0.935 267 Q HN 0.527 nan 8.270 nan 0.000 0.455 268 Q N 0.418 120.182 119.800 -0.059 0.000 2.360 268 Q HA 0.084 4.424 4.340 0.001 0.000 0.202 268 Q C -0.260 175.703 176.000 -0.062 0.000 0.915 268 Q CA 0.188 55.964 55.803 -0.044 0.000 0.943 268 Q CB 0.514 29.238 28.738 -0.024 0.000 1.064 268 Q HN 0.296 nan 8.270 nan 0.000 0.511 269 E N 0.854 121.008 120.200 -0.078 0.000 2.338 269 E HA 0.023 4.373 4.350 0.001 0.000 0.272 269 E C 1.178 177.740 176.600 -0.063 0.000 1.029 269 E CA 0.083 56.430 56.400 -0.087 0.000 0.872 269 E CB 1.335 30.971 29.700 -0.106 0.000 1.015 269 E HN 0.155 nan 8.360 nan 0.000 0.417 270 S N 3.768 119.434 115.700 -0.058 0.000 2.380 270 S HA -0.303 4.167 4.470 0.001 0.000 0.229 270 S C 0.776 175.355 174.600 -0.036 0.000 1.050 270 S CA 1.868 60.043 58.200 -0.042 0.000 1.100 270 S CB -0.399 62.778 63.200 -0.039 0.000 0.984 270 S HN 0.695 nan 8.310 nan 0.000 0.434 271 N N -0.001 118.675 118.700 -0.040 0.000 2.700 271 N HA 0.523 5.263 4.740 0.001 0.000 0.242 271 N C 0.131 175.616 175.510 -0.040 0.000 1.541 271 N CA -0.289 52.741 53.050 -0.032 0.000 0.764 271 N CB 0.854 39.328 38.487 -0.022 0.000 1.319 271 N HN 0.745 nan 8.380 nan 0.000 0.518 272 G N 0.973 109.741 108.800 -0.054 0.000 2.741 272 G HA2 -0.233 3.728 3.960 0.001 0.000 0.222 272 G HA3 -0.233 3.728 3.960 0.001 0.000 0.222 272 G C -0.434 174.404 174.900 -0.104 0.000 1.364 272 G CA -0.548 44.508 45.100 -0.073 0.000 0.866 272 G HN 0.457 nan 8.290 nan 0.000 0.555 273 I N 1.940 122.413 120.570 -0.162 0.000 2.372 273 I HA 0.258 4.429 4.170 0.001 0.000 0.298 273 I C 1.701 177.759 176.117 -0.099 0.000 1.137 273 I CA 0.793 61.970 61.300 -0.204 0.000 1.314 273 I CB 0.434 38.128 38.000 -0.509 0.000 1.444 273 I HN 0.746 nan 8.210 nan 0.000 0.541 274 T N 0.491 115.010 114.554 -0.058 0.000 3.040 274 T HA 0.539 4.889 4.350 0.001 0.000 0.266 274 T C 0.613 175.316 174.700 0.005 0.000 1.005 274 T CA 0.101 62.191 62.100 -0.016 0.000 0.906 274 T CB 0.824 69.680 68.868 -0.020 0.000 1.082 274 T HN 0.687 nan 8.240 nan 0.000 0.531 275 G N 1.417 110.218 108.800 0.002 0.000 2.441 275 G HA2 0.378 4.339 3.960 0.001 0.000 0.225 275 G HA3 0.378 4.339 3.960 0.001 0.000 0.225 275 G C -1.690 173.225 174.900 0.025 0.000 1.200 275 G CA -0.917 44.198 45.100 0.025 0.000 0.947 275 G HN 0.190 nan 8.290 nan 0.000 0.484 276 I N 2.527 123.117 120.570 0.034 0.000 2.662 276 I HA 0.163 4.334 4.170 0.001 0.000 0.285 276 I C 0.931 177.032 176.117 -0.028 0.000 1.161 276 I CA 0.261 61.604 61.300 0.072 0.000 1.415 276 I CB -0.318 37.737 38.000 0.091 0.000 1.385 276 I HN 0.250 nan 8.210 nan 0.000 0.552 277 L N 7.069 128.202 121.223 -0.151 0.000 2.464 277 L HA 0.143 4.483 4.340 0.001 0.000 0.264 277 L C 1.013 177.544 176.870 -0.565 0.000 1.199 277 L CA -0.468 54.065 54.840 -0.512 0.000 0.818 277 L CB 0.133 41.607 42.059 -0.975 0.000 1.102 277 L HN 0.470 nan 8.230 nan 0.000 0.473 278 K N 2.451 122.586 120.400 -0.442 0.000 2.121 278 K HA 0.083 4.403 4.320 0.001 0.000 0.235 278 K C -1.039 175.377 176.600 -0.307 0.000 1.200 278 K CA -0.051 56.069 56.287 -0.280 0.000 1.115 278 K CB -0.156 32.231 32.500 -0.188 0.000 1.474 278 K HN 0.303 nan 8.250 nan 0.000 0.295 279 W N 1.458 122.677 121.300 -0.135 0.000 2.216 279 W HA 0.121 4.782 4.660 0.001 0.000 0.326 279 W C 0.193 176.458 176.519 -0.422 0.000 1.319 279 W CA -0.811 56.410 57.345 -0.207 0.000 1.213 279 W CB 0.607 30.013 29.460 -0.090 0.000 1.171 279 W HN 0.025 nan 8.180 nan 0.000 0.557 280 V N 4.227 123.938 119.914 -0.338 0.000 2.357 280 V HA 0.172 4.293 4.120 0.001 0.000 0.284 280 V C 0.083 175.829 176.094 -0.579 0.000 1.018 280 V CA -1.463 60.475 62.300 -0.603 0.000 0.841 280 V CB 1.040 32.199 31.823 -1.108 0.000 0.991 280 V HN 0.417 nan 8.190 nan 0.000 0.437 281 K N 4.678 124.733 120.400 -0.575 0.000 2.278 281 K HA 0.145 4.465 4.320 0.001 0.000 0.237 281 K C 0.966 177.412 176.600 -0.257 0.000 1.229 281 K CA -0.285 55.645 56.287 -0.595 0.000 1.155 281 K CB 0.441 32.444 32.500 -0.828 0.000 1.590 281 K HN 0.525 nan 8.250 nan 0.000 0.290 282 L N 1.886 123.007 121.223 -0.169 0.000 1.971 282 L HA -0.130 4.211 4.340 0.001 0.000 0.215 282 L C 0.548 177.353 176.870 -0.108 0.000 1.072 282 L CA 1.885 56.655 54.840 -0.118 0.000 0.758 282 L CB 0.160 42.150 42.059 -0.115 0.000 0.889 282 L HN 0.414 nan 8.230 nan 0.000 0.433 283 I N 0.711 121.205 120.570 -0.126 0.000 2.405 283 I HA 0.198 4.369 4.170 0.001 0.000 0.280 283 I C -0.671 175.407 176.117 -0.065 0.000 1.027 283 I CA -0.218 60.974 61.300 -0.180 0.000 1.161 283 I CB 0.643 38.359 38.000 -0.474 0.000 1.300 283 I HN 0.130 nan 8.210 nan 0.000 0.463 284 D N 5.813 126.185 120.400 -0.048 0.000 3.088 284 D HA 0.251 4.892 4.640 0.001 0.000 0.310 284 D C -0.442 175.781 176.300 -0.128 0.000 1.351 284 D CA -0.087 53.905 54.000 -0.012 0.000 0.921 284 D CB 0.197 41.001 40.800 0.006 0.000 1.045 284 D HN 0.691 nan 8.370 nan 0.000 0.504 285 N N -2.103 116.450 118.700 -0.246 0.000 2.961 285 N HA 0.236 4.976 4.740 0.001 0.000 0.245 285 N C -1.171 174.128 175.510 -0.350 0.000 1.404 285 N CA -0.801 52.083 53.050 -0.277 0.000 0.880 285 N CB 0.188 38.635 38.487 -0.066 0.000 1.461 285 N HN -0.144 nan 8.380 nan 0.000 0.510 286 F N -0.219 119.690 119.950 -0.067 0.000 2.916 286 F HA 0.361 4.888 4.527 0.001 0.000 0.294 286 F C 1.053 176.837 175.800 -0.026 0.000 1.189 286 F CA -0.373 57.575 58.000 -0.087 0.000 1.369 286 F CB 0.269 39.189 39.000 -0.133 0.000 0.961 286 F HN 0.550 nan 8.300 nan 0.000 0.508 287 E N 0.361 120.647 120.200 0.142 0.000 2.371 287 E HA 0.156 4.507 4.350 0.001 0.000 0.194 287 E C 1.284 177.918 176.600 0.057 0.000 1.012 287 E CA 0.184 56.640 56.400 0.093 0.000 0.860 287 E CB 0.359 30.107 29.700 0.079 0.000 0.811 287 E HN 0.438 nan 8.360 nan 0.000 0.502 288 G N 0.498 109.365 108.800 0.112 0.000 2.660 288 G HA2 0.269 4.230 3.960 0.001 0.000 0.290 288 G HA3 0.269 4.230 3.960 0.001 0.000 0.290 288 G C -1.782 173.008 174.900 -0.182 0.000 1.432 288 G CA -0.722 44.337 45.100 -0.068 0.000 0.807 288 G HN -0.027 nan 8.290 nan 0.000 0.485 289 E N -0.439 119.538 120.200 -0.371 0.000 2.197 289 E HA 0.537 4.888 4.350 0.001 0.000 0.281 289 E C -1.400 174.821 176.600 -0.631 0.000 0.995 289 E CA -0.635 55.605 56.400 -0.267 0.000 0.808 289 E CB 1.003 30.683 29.700 -0.033 0.000 1.093 289 E HN 0.391 nan 8.360 nan 0.000 0.394 290 Y N 2.739 123.041 120.300 0.004 0.000 2.426 290 Y HA 0.209 4.759 4.550 0.001 0.000 0.325 290 Y C -0.608 175.398 175.900 0.176 0.000 0.989 290 Y CA -1.074 56.992 58.100 -0.055 0.000 1.284 290 Y CB 1.338 39.538 38.460 -0.433 0.000 1.104 290 Y HN 0.424 nan 8.280 nan 0.000 0.481 291 D N 2.502 123.127 120.400 0.375 0.000 2.392 291 D HA 0.079 4.719 4.640 0.001 0.000 0.228 291 D C -0.916 175.683 176.300 0.498 0.000 1.074 291 D CA -0.651 53.577 54.000 0.379 0.000 0.838 291 D CB 0.438 41.365 40.800 0.212 0.000 1.067 291 D HN 0.388 nan 8.370 nan 0.000 0.511 292 Y N 4.129 124.671 120.300 0.404 0.000 2.729 292 Y HA 0.080 4.630 4.550 0.001 0.000 0.331 292 Y C 0.418 176.333 175.900 0.025 0.000 1.208 292 Y CA 0.298 58.471 58.100 0.122 0.000 1.521 292 Y CB 0.539 39.097 38.460 0.164 0.000 1.233 292 Y HN 0.259 nan 8.280 nan 0.000 0.539 293 V N 3.887 123.380 119.914 -0.701 0.000 2.602 293 V HA 0.173 4.293 4.120 0.001 0.000 0.235 293 V C 0.661 176.172 176.094 -0.972 0.000 1.087 293 V CA 1.193 63.139 62.300 -0.589 0.000 1.117 293 V CB 0.193 31.834 31.823 -0.303 0.000 0.820 293 V HN 0.802 nan 8.190 nan 0.000 0.490 294 T N 0.176 114.105 114.554 -1.042 0.000 2.693 294 T HA 0.398 4.749 4.350 0.001 0.000 0.304 294 T C -2.252 172.117 174.700 -0.553 0.000 1.471 294 T CA -0.501 61.146 62.100 -0.755 0.000 0.993 294 T CB 1.702 70.364 68.868 -0.344 0.000 1.554 294 T HN 0.598 nan 8.240 nan 0.000 0.496 295 N N 1.022 119.463 118.700 -0.432 0.000 2.591 295 N HA 0.407 5.148 4.740 0.001 0.000 0.263 295 N C -1.920 173.336 175.510 -0.424 0.000 1.308 295 N CA -0.712 51.914 53.050 -0.707 0.000 0.837 295 N CB 2.230 39.667 38.487 -1.750 0.000 1.548 295 N HN 0.477 nan 8.380 nan 0.000 0.493 296 E N 0.598 120.577 120.200 -0.368 0.000 2.373 296 E HA 0.395 4.746 4.350 0.001 0.000 0.251 296 E C 0.668 177.169 176.600 -0.165 0.000 0.923 296 E CA -0.090 56.193 56.400 -0.195 0.000 0.798 296 E CB 1.106 30.728 29.700 -0.130 0.000 1.303 296 E HN 0.998 nan 8.360 nan 0.000 0.412 297 G N 3.091 111.827 108.800 -0.107 0.000 2.556 297 G HA2 -0.412 3.548 3.960 0.001 0.000 0.283 297 G HA3 -0.412 3.548 3.960 0.001 0.000 0.283 297 G C 0.938 175.816 174.900 -0.036 0.000 1.177 297 G CA 0.731 45.822 45.100 -0.015 0.000 0.978 297 G HN 0.556 nan 8.290 nan 0.000 0.554 298 T N -1.370 113.188 114.554 0.006 0.000 3.129 298 T HA 0.420 4.770 4.350 0.001 0.000 0.251 298 T C 0.875 175.512 174.700 -0.104 0.000 1.117 298 T CA 1.002 63.088 62.100 -0.023 0.000 1.034 298 T CB 0.171 69.097 68.868 0.096 0.000 0.968 298 T HN 1.027 nan 8.240 nan 0.000 0.526 299 V N 2.785 122.623 119.914 -0.126 0.000 2.353 299 V HA 0.394 4.514 4.120 0.001 0.000 0.264 299 V C -0.632 175.310 176.094 -0.253 0.000 1.049 299 V CA -0.845 61.393 62.300 -0.103 0.000 0.896 299 V CB -0.656 31.127 31.823 -0.068 0.000 1.025 299 V HN 0.323 nan 8.190 nan 0.000 0.475 300 F N 2.494 122.208 119.950 -0.393 0.000 2.415 300 F HA 0.435 4.963 4.527 0.001 0.000 0.348 300 F C 0.959 176.535 175.800 -0.373 0.000 1.119 300 F CA -0.402 57.326 58.000 -0.453 0.000 1.069 300 F CB 1.650 40.288 39.000 -0.602 0.000 1.124 300 F HN 0.307 nan 8.300 nan 0.000 0.472 301 T N 5.167 119.515 114.554 -0.343 0.000 2.743 301 T HA 0.515 4.866 4.350 0.001 0.000 0.293 301 T C -0.725 173.774 174.700 -0.336 0.000 0.945 301 T CA -0.131 61.832 62.100 -0.228 0.000 1.030 301 T CB -0.029 68.717 68.868 -0.202 0.000 0.912 301 T HN 0.180 nan 8.240 nan 0.000 0.483 302 F N 1.647 121.626 119.950 0.048 0.000 2.563 302 F HA 0.508 5.035 4.527 0.001 0.000 0.316 302 F C 0.397 176.227 175.800 0.050 0.000 1.076 302 F CA -1.303 56.750 58.000 0.087 0.000 0.921 302 F CB 1.873 40.973 39.000 0.167 0.000 1.209 302 F HN 0.269 nan 8.300 nan 0.000 0.462 303 K N 1.403 121.953 120.400 0.250 0.000 2.201 303 K HA 0.540 4.861 4.320 0.001 0.000 0.278 303 K C -0.732 175.970 176.600 0.170 0.000 1.027 303 K CA -0.042 56.342 56.287 0.162 0.000 0.909 303 K CB 1.285 33.850 32.500 0.108 0.000 1.062 303 K HN 0.766 nan 8.250 nan 0.000 0.465 304 T N 1.644 116.272 114.554 0.123 0.000 2.883 304 T HA 0.287 4.637 4.350 0.001 0.000 0.296 304 T C -0.456 174.171 174.700 -0.122 0.000 1.117 304 T CA -0.819 61.244 62.100 -0.063 0.000 1.006 304 T CB 0.844 69.608 68.868 -0.174 0.000 1.191 304 T HN 0.810 nan 8.240 nan 0.000 0.508 305 N N 1.006 119.484 118.700 -0.370 0.000 2.197 305 N HA 0.138 4.878 4.740 0.001 0.000 0.228 305 N C 0.103 175.414 175.510 -0.331 0.000 1.212 305 N CA -0.515 52.170 53.050 -0.609 0.000 0.883 305 N CB -0.048 37.782 38.487 -1.096 0.000 1.107 305 N HN 0.334 nan 8.380 nan 0.000 0.519 306 R N 1.884 122.251 120.500 -0.222 0.000 2.474 306 R HA -0.007 4.333 4.340 0.001 0.000 0.339 306 R C -0.283 176.032 176.300 0.026 0.000 1.033 306 R CA 0.433 56.478 56.100 -0.092 0.000 0.997 306 R CB -1.552 28.829 30.300 0.136 0.000 0.963 306 R HN 0.269 nan 8.270 nan 0.000 0.438 307 H N 1.473 120.531 119.070 -0.020 0.000 2.820 307 H HA -0.161 4.395 4.556 0.001 0.000 0.295 307 H C -0.854 174.463 175.328 -0.018 0.000 1.187 307 H CA 1.349 57.392 56.048 -0.009 0.000 1.144 307 H CB -1.474 28.298 29.762 0.017 0.000 1.354 307 H HN 0.553 nan 8.280 nan 0.000 0.395 308 S N -0.342 115.351 115.700 -0.012 0.000 2.386 308 S HA 0.205 4.675 4.470 0.001 0.000 0.152 308 S C -1.755 172.754 174.600 -0.152 0.000 1.511 308 S CA -0.656 57.526 58.200 -0.030 0.000 1.246 308 S CB 2.088 65.286 63.200 -0.003 0.000 1.338 308 S HN -0.001 nan 8.310 nan 0.000 0.409 309 P HA -0.087 nan 4.420 nan 0.000 0.218 309 P C 0.527 177.819 177.300 -0.013 0.000 1.146 309 P CA 1.292 64.338 63.100 -0.090 0.000 0.813 309 P CB -0.043 31.667 31.700 0.016 0.000 0.778 310 N N -3.335 115.417 118.700 0.085 0.000 2.280 310 N HA 0.087 4.828 4.740 0.001 0.000 0.192 310 N C -0.877 174.872 175.510 0.399 0.000 1.109 310 N CA -0.263 52.943 53.050 0.259 0.000 0.855 310 N CB -0.091 38.534 38.487 0.231 0.000 0.974 310 N HN 0.026 nan 8.380 nan 0.000 0.482 311 Y N 0.100 120.437 120.300 0.062 0.000 2.515 311 Y HA -0.325 4.226 4.550 0.001 0.000 0.021 311 Y C 0.209 176.141 175.900 0.053 0.000 1.710 311 Y CA -0.114 58.006 58.100 0.034 0.000 1.413 311 Y CB -0.363 38.094 38.460 -0.005 0.000 2.059 311 Y HN 0.206 nan 8.280 nan 0.000 0.255 312 R N 0.636 121.245 120.500 0.180 0.000 2.781 312 R HA 0.926 5.266 4.340 0.001 0.000 0.268 312 R C -2.149 174.216 176.300 0.108 0.000 1.047 312 R CA -1.351 54.829 56.100 0.133 0.000 0.925 312 R CB 1.588 31.964 30.300 0.126 0.000 1.246 312 R HN 0.507 nan 8.270 nan 0.000 0.456 313 L N 2.154 123.428 121.223 0.085 0.000 2.322 313 L HA 0.623 4.963 4.340 0.001 0.000 0.281 313 L C -0.330 176.607 176.870 0.111 0.000 1.014 313 L CA -1.017 53.870 54.840 0.077 0.000 0.815 313 L CB 1.721 43.789 42.059 0.015 0.000 1.247 313 L HN 0.591 nan 8.230 nan 0.000 0.421 314 I N -0.072 120.585 120.570 0.144 0.000 2.785 314 I HA 0.518 4.688 4.170 0.001 0.000 0.302 314 I C -0.889 175.313 176.117 0.142 0.000 1.069 314 I CA -0.737 60.662 61.300 0.165 0.000 1.045 314 I CB 2.252 40.377 38.000 0.209 0.000 1.236 314 I HN 0.487 nan 8.210 nan 0.000 0.429 315 N N 4.510 123.285 118.700 0.126 0.000 2.424 315 N HA 0.591 5.331 4.740 0.001 0.000 0.271 315 N C -1.252 174.307 175.510 0.082 0.000 0.985 315 N CA -0.624 52.483 53.050 0.096 0.000 0.921 315 N CB 2.078 40.609 38.487 0.074 0.000 1.149 315 N HN 0.461 nan 8.380 nan 0.000 0.492 316 I N 1.368 121.986 120.570 0.079 0.000 2.355 316 I HA 0.147 4.317 4.170 0.001 0.000 0.288 316 I C -0.503 175.712 176.117 0.163 0.000 0.999 316 I CA -0.680 60.617 61.300 -0.006 0.000 1.163 316 I CB 1.434 39.316 38.000 -0.197 0.000 1.316 316 I HN 0.389 nan 8.210 nan 0.000 0.454 317 D N 6.191 126.709 120.400 0.197 0.000 2.313 317 D HA 0.182 4.823 4.640 0.001 0.000 0.239 317 D C 0.881 177.368 176.300 0.312 0.000 1.142 317 D CA -0.033 54.080 54.000 0.188 0.000 0.847 317 D CB 0.837 41.736 40.800 0.164 0.000 1.082 317 D HN 0.402 nan 8.370 nan 0.000 0.480 318 F N 1.140 121.098 119.950 0.013 0.000 2.250 318 F HA -0.215 4.313 4.527 0.001 0.000 0.301 318 F C 2.424 178.264 175.800 0.067 0.000 1.077 318 F CA 1.039 59.012 58.000 -0.045 0.000 1.348 318 F CB 0.154 38.997 39.000 -0.262 0.000 1.040 318 F HN 0.419 nan 8.300 nan 0.000 0.509 319 T N -4.054 110.662 114.554 0.271 0.000 3.088 319 T HA -0.069 4.282 4.350 0.001 0.000 0.259 319 T C 0.323 175.121 174.700 0.163 0.000 1.122 319 T CA 0.590 62.806 62.100 0.193 0.000 1.095 319 T CB 0.005 68.967 68.868 0.157 0.000 0.930 319 T HN -0.009 nan 8.240 nan 0.000 0.508 320 D N 1.440 121.952 120.400 0.186 0.000 2.846 320 D HA 0.271 4.911 4.640 0.001 0.000 0.279 320 D C -1.901 174.539 176.300 0.233 0.000 1.222 320 D CA -1.782 52.320 54.000 0.171 0.000 0.769 320 D CB 1.324 42.213 40.800 0.149 0.000 1.299 320 D HN 0.041 nan 8.370 nan 0.000 0.537 321 P HA -0.102 nan 4.420 nan 0.000 0.225 321 P C 0.003 177.538 177.300 0.392 0.000 1.148 321 P CA 0.350 63.639 63.100 0.315 0.000 0.779 321 P CB 0.500 32.319 31.700 0.197 0.000 0.780 322 E N 0.703 121.019 120.200 0.194 0.000 2.452 322 E HA -0.094 4.257 4.350 0.001 0.000 0.261 322 E C 1.278 177.741 176.600 -0.228 0.000 0.987 322 E CA 0.025 56.440 56.400 0.024 0.000 0.926 322 E CB 0.441 30.130 29.700 -0.018 0.000 0.934 322 E HN 0.227 nan 8.360 nan 0.000 0.452 323 E N 1.999 121.822 120.200 -0.628 0.000 2.097 323 E HA -0.267 4.084 4.350 0.001 0.000 0.196 323 E C 1.748 177.810 176.600 -0.895 0.000 1.000 323 E CA 1.662 57.135 56.400 -1.545 0.000 0.804 323 E CB 0.074 29.079 29.700 -1.159 0.000 0.740 323 E HN 0.563 nan 8.360 nan 0.000 0.454 324 S N -0.161 115.291 115.700 -0.413 0.000 2.469 324 S HA -0.081 4.390 4.470 0.001 0.000 0.238 324 S C 1.565 176.113 174.600 -0.086 0.000 0.998 324 S CA 0.650 58.728 58.200 -0.203 0.000 0.957 324 S CB -0.006 63.119 63.200 -0.125 0.000 0.764 324 S HN 0.119 nan 8.310 nan 0.000 0.514 325 K N -0.049 120.323 120.400 -0.047 0.000 2.361 325 K HA 0.135 4.455 4.320 0.001 0.000 0.196 325 K C -0.057 176.706 176.600 0.271 0.000 1.039 325 K CA -0.159 56.195 56.287 0.111 0.000 1.001 325 K CB -0.262 32.326 32.500 0.146 0.000 0.795 325 K HN 0.462 nan 8.250 nan 0.000 0.495 326 W N 3.087 124.438 121.300 0.086 0.000 2.231 326 W HA 0.048 4.709 4.660 0.001 0.000 0.341 326 W C 0.915 177.492 176.519 0.097 0.000 1.298 326 W CA -0.736 56.675 57.345 0.109 0.000 1.266 326 W CB -0.167 29.370 29.460 0.129 0.000 1.172 326 W HN -0.125 nan 8.180 nan 0.000 0.568 327 K N 1.753 122.347 120.400 0.323 0.000 2.156 327 K HA 0.451 4.772 4.320 0.001 0.000 0.271 327 K C -0.993 175.726 176.600 0.199 0.000 0.995 327 K CA -0.539 55.873 56.287 0.209 0.000 0.890 327 K CB 1.111 33.700 32.500 0.148 0.000 1.073 327 K HN 0.212 nan 8.250 nan 0.000 0.454 328 V N 6.876 126.887 119.914 0.163 0.000 2.304 328 V HA 0.027 4.148 4.120 0.001 0.000 0.262 328 V C 1.084 177.244 176.094 0.111 0.000 1.061 328 V CA -0.311 62.077 62.300 0.146 0.000 0.872 328 V CB 0.614 32.517 31.823 0.133 0.000 1.077 328 V HN 0.835 nan 8.190 nan 0.000 0.480 329 L N 6.216 127.499 121.223 0.101 0.000 2.005 329 L HA 0.113 4.454 4.340 0.001 0.000 0.207 329 L C 0.800 177.715 176.870 0.075 0.000 1.072 329 L CA 2.037 56.923 54.840 0.077 0.000 0.744 329 L CB 0.387 42.481 42.059 0.057 0.000 0.895 329 L HN 0.423 nan 8.230 nan 0.000 0.433 330 V N 0.776 120.732 119.914 0.070 0.000 2.419 330 V HA 0.363 4.483 4.120 0.001 0.000 0.287 330 V C -2.305 173.846 176.094 0.095 0.000 1.017 330 V CA -1.513 60.829 62.300 0.070 0.000 0.844 330 V CB 1.124 32.946 31.823 -0.002 0.000 1.011 330 V HN 0.083 nan 8.190 nan 0.000 0.429 331 P HA 0.073 nan 4.420 nan 0.000 0.269 331 P C -0.053 177.327 177.300 0.133 0.000 1.217 331 P CA -0.071 63.093 63.100 0.106 0.000 0.783 331 P CB 0.665 32.415 31.700 0.083 0.000 0.898 332 E N 1.681 121.957 120.200 0.127 0.000 2.392 332 E HA -0.029 4.321 4.350 0.001 0.000 0.264 332 E C -0.367 176.328 176.600 0.160 0.000 1.024 332 E CA -0.218 56.276 56.400 0.158 0.000 0.903 332 E CB 0.328 30.100 29.700 0.120 0.000 0.963 332 E HN 0.470 nan 8.360 nan 0.000 0.432 333 H N 2.710 121.843 119.070 0.106 0.000 2.511 333 H HA 0.004 4.560 4.556 0.001 0.000 0.346 333 H C 0.783 176.143 175.328 0.054 0.000 1.128 333 H CA 0.280 56.359 56.048 0.052 0.000 1.342 333 H CB 1.234 31.003 29.762 0.012 0.000 1.470 333 H HN 0.767 nan 8.280 nan 0.000 0.546 334 E N 2.157 122.229 120.200 -0.213 0.000 2.472 334 E HA -0.148 4.202 4.350 0.001 0.000 0.200 334 E C 0.642 177.274 176.600 0.054 0.000 1.046 334 E CA 0.954 57.309 56.400 -0.075 0.000 0.871 334 E CB 0.434 30.045 29.700 -0.148 0.000 0.806 334 E HN 0.280 nan 8.360 nan 0.000 0.533 335 K N 0.021 120.554 120.400 0.222 0.000 3.019 335 K HA 0.111 4.431 4.320 0.001 0.000 0.192 335 K C -0.848 175.912 176.600 0.267 0.000 1.680 335 K CA 0.185 56.603 56.287 0.219 0.000 1.375 335 K CB 0.316 32.907 32.500 0.151 0.000 1.968 335 K HN -0.046 nan 8.250 nan 0.000 0.624 336 D N 1.557 122.143 120.400 0.311 0.000 2.425 336 D HA 0.063 4.704 4.640 0.001 0.000 0.247 336 D C -0.448 175.985 176.300 0.222 0.000 1.147 336 D CA 0.143 54.218 54.000 0.126 0.000 0.879 336 D CB 1.160 41.818 40.800 -0.236 0.000 1.179 336 D HN -0.144 nan 8.370 nan 0.000 0.456 337 V N 3.323 123.346 119.914 0.182 0.000 2.461 337 V HA 0.050 4.170 4.120 0.001 0.000 0.275 337 V C 0.338 176.505 176.094 0.120 0.000 1.047 337 V CA -0.806 61.596 62.300 0.171 0.000 0.955 337 V CB 1.333 33.192 31.823 0.061 0.000 0.988 337 V HN 0.321 nan 8.190 nan 0.000 0.471 338 L N 5.405 126.647 121.223 0.032 0.000 2.312 338 L HA 0.311 4.652 4.340 0.001 0.000 0.287 338 L C 1.158 177.791 176.870 -0.395 0.000 1.091 338 L CA 0.677 55.280 54.840 -0.394 0.000 0.846 338 L CB 0.105 41.962 42.059 -0.336 0.000 1.219 338 L HN 0.716 nan 8.230 nan 0.000 0.439 339 E N 5.230 125.177 120.200 -0.421 0.000 2.028 339 E HA -0.026 4.324 4.350 0.001 0.000 0.190 339 E C -0.518 175.981 176.600 -0.170 0.000 0.984 339 E CA 1.416 57.639 56.400 -0.296 0.000 0.800 339 E CB 0.140 29.747 29.700 -0.156 0.000 0.758 339 E HN 0.744 nan 8.360 nan 0.000 0.448 340 W N -1.372 119.750 121.300 -0.297 0.000 3.066 340 W HA 0.585 5.246 4.660 0.001 0.000 0.330 340 W C -1.665 174.687 176.519 -0.278 0.000 1.253 340 W CA -0.825 56.370 57.345 -0.250 0.000 1.187 340 W CB 0.652 29.996 29.460 -0.194 0.000 1.434 340 W HN -0.379 nan 8.180 nan 0.000 0.572 341 V N 1.239 121.227 119.914 0.123 0.000 2.888 341 V HA 0.843 4.964 4.120 0.001 0.000 0.309 341 V C -0.420 175.742 176.094 0.113 0.000 1.114 341 V CA -0.716 61.572 62.300 -0.020 0.000 0.940 341 V CB 1.233 32.983 31.823 -0.123 0.000 1.021 341 V HN 0.924 nan 8.190 nan 0.000 0.426 342 A N 2.059 124.925 122.820 0.077 0.000 2.475 342 A HA 0.787 5.108 4.320 0.001 0.000 0.301 342 A C -0.862 176.778 177.584 0.093 0.000 1.059 342 A CA -0.477 51.619 52.037 0.099 0.000 0.710 342 A CB 1.773 20.858 19.000 0.142 0.000 1.288 342 A HN 1.108 nan 8.150 nan 0.000 0.408 343 C N 2.062 121.411 119.300 0.081 0.000 2.319 343 C HA 0.828 5.289 4.460 0.001 0.000 0.335 343 C C -0.159 174.927 174.990 0.159 0.000 1.274 343 C CA -0.069 58.999 59.018 0.083 0.000 1.806 343 C CB -0.018 27.712 27.740 -0.017 0.000 2.329 343 C HN 1.141 nan 8.230 nan 0.000 0.524 344 V N 6.611 126.647 119.914 0.204 0.000 3.114 344 V HA 0.669 4.790 4.120 0.001 0.000 0.308 344 V C 0.363 176.558 176.094 0.168 0.000 1.168 344 V CA -0.639 61.791 62.300 0.217 0.000 1.015 344 V CB 1.760 33.767 31.823 0.307 0.000 1.050 344 V HN 1.048 nan 8.190 nan 0.000 0.433 345 R N 3.143 123.705 120.500 0.104 0.000 3.322 345 R HA -0.220 4.120 4.340 0.001 0.000 0.253 345 R C 0.966 177.194 176.300 -0.120 0.000 0.987 345 R CA 0.889 56.986 56.100 -0.005 0.000 0.666 345 R CB -1.421 28.877 30.300 -0.003 0.000 1.072 345 R HN 1.332 nan 8.270 nan 0.000 0.447 346 S N -1.794 113.874 115.700 -0.054 0.000 1.694 346 S HA -0.349 4.121 4.470 0.001 0.000 0.236 346 S C 0.599 175.145 174.600 -0.091 0.000 0.821 346 S CA 2.100 60.255 58.200 -0.075 0.000 1.530 346 S CB -0.941 62.202 63.200 -0.096 0.000 1.703 346 S HN 0.919 nan 8.310 nan 0.000 0.517 347 N N 0.324 118.914 118.700 -0.183 0.000 2.338 347 N HA 0.457 5.197 4.740 0.001 0.000 0.251 347 N C -0.431 175.087 175.510 0.013 0.000 1.199 347 N CA -0.274 52.702 53.050 -0.123 0.000 0.879 347 N CB 0.302 38.703 38.487 -0.143 0.000 1.159 347 N HN 0.464 nan 8.380 nan 0.000 0.514 348 F N 0.954 120.925 119.950 0.036 0.000 2.492 348 F HA 0.532 5.059 4.527 0.001 0.000 0.327 348 F C -0.199 175.636 175.800 0.059 0.000 1.079 348 F CA -1.268 56.766 58.000 0.057 0.000 0.967 348 F CB 2.033 41.082 39.000 0.082 0.000 1.169 348 F HN -0.134 nan 8.300 nan 0.000 0.472 349 L N 3.479 124.863 121.223 0.269 0.000 2.381 349 L HA 0.493 4.834 4.340 0.001 0.000 0.274 349 L C -1.079 175.848 176.870 0.095 0.000 0.988 349 L CA -1.005 53.913 54.840 0.131 0.000 0.824 349 L CB 2.138 44.230 42.059 0.054 0.000 1.263 349 L HN 0.258 nan 8.230 nan 0.000 0.410 350 V N 4.903 124.849 119.914 0.054 0.000 2.364 350 V HA 0.369 4.490 4.120 0.001 0.000 0.272 350 V C 0.148 176.089 176.094 -0.255 0.000 1.036 350 V CA -0.381 61.908 62.300 -0.019 0.000 0.880 350 V CB 1.441 33.273 31.823 0.014 0.000 0.991 350 V HN 0.473 nan 8.190 nan 0.000 0.460 351 L N 4.641 125.681 121.223 -0.304 0.000 2.307 351 L HA 0.515 4.855 4.340 0.001 0.000 0.284 351 L C -0.247 176.192 176.870 -0.718 0.000 1.023 351 L CA -0.192 54.316 54.840 -0.555 0.000 0.810 351 L CB 1.660 43.419 42.059 -0.500 0.000 1.231 351 L HN 0.698 nan 8.230 nan 0.000 0.423 352 C N 4.186 122.806 119.300 -1.133 0.000 2.319 352 C HA 0.591 5.052 4.460 0.001 0.000 0.323 352 C C -0.345 174.178 174.990 -0.779 0.000 1.277 352 C CA -0.399 58.001 59.018 -1.031 0.000 1.517 352 C CB -0.064 26.612 27.740 -1.773 0.000 2.206 352 C HN 0.655 nan 8.230 nan 0.000 0.486 353 Y N 3.816 123.913 120.300 -0.337 0.000 2.487 353 Y HA 0.663 5.214 4.550 0.001 0.000 0.337 353 Y C -0.074 175.749 175.900 -0.128 0.000 1.076 353 Y CA -0.876 57.093 58.100 -0.218 0.000 1.115 353 Y CB 1.528 39.877 38.460 -0.185 0.000 1.235 353 Y HN 0.528 nan 8.280 nan 0.000 0.468 354 L N 3.033 124.316 121.223 0.101 0.000 2.295 354 L HA 0.343 4.683 4.340 0.001 0.000 0.281 354 L C -1.308 175.607 176.870 0.075 0.000 1.018 354 L CA -0.391 54.480 54.840 0.052 0.000 0.841 354 L CB 0.148 42.190 42.059 -0.029 0.000 1.218 354 L HN 0.655 nan 8.230 nan 0.000 0.424 355 H N 4.276 123.351 119.070 0.008 0.000 2.595 355 H HA 0.344 4.901 4.556 0.001 0.000 0.313 355 H C -0.502 174.862 175.328 0.059 0.000 1.023 355 H CA -0.318 55.737 56.048 0.011 0.000 1.218 355 H CB 0.519 30.274 29.762 -0.012 0.000 1.403 355 H HN 0.667 nan 8.280 nan 0.000 0.477 356 D N 4.544 124.783 120.400 -0.268 0.000 2.686 356 D HA -0.183 4.458 4.640 0.001 0.000 0.235 356 D C 0.302 176.596 176.300 -0.010 0.000 1.160 356 D CA 1.193 55.139 54.000 -0.090 0.000 0.645 356 D CB -1.247 39.536 40.800 -0.028 0.000 1.039 356 D HN 0.614 nan 8.370 nan 0.000 0.423 357 V N -2.724 117.133 119.914 -0.095 0.000 4.591 357 V HA -0.359 3.761 4.120 0.001 0.000 0.261 357 V C 0.606 176.848 176.094 0.247 0.000 0.425 357 V CA 1.899 64.225 62.300 0.044 0.000 0.826 357 V CB -1.883 29.964 31.823 0.041 0.000 0.812 357 V HN 0.508 nan 8.190 nan 0.000 1.340 358 K N 0.185 120.703 120.400 0.197 0.000 2.422 358 K HA 0.589 4.909 4.320 0.001 0.000 0.251 358 K C -0.196 176.508 176.600 0.174 0.000 0.933 358 K CA -0.684 55.734 56.287 0.219 0.000 0.798 358 K CB 2.111 34.776 32.500 0.276 0.000 1.238 358 K HN 0.365 nan 8.250 nan 0.000 0.428 359 N N 0.533 119.331 118.700 0.164 0.000 2.513 359 N HA 0.309 5.049 4.740 0.001 0.000 0.274 359 N C -0.928 174.655 175.510 0.123 0.000 1.189 359 N CA -0.096 53.035 53.050 0.134 0.000 0.975 359 N CB 1.023 39.599 38.487 0.149 0.000 1.157 359 N HN 0.564 nan 8.380 nan 0.000 0.465 360 T N -1.129 113.463 114.554 0.063 0.000 2.909 360 T HA 0.531 4.881 4.350 0.001 0.000 0.299 360 T C -0.860 173.825 174.700 -0.026 0.000 1.073 360 T CA -0.857 61.257 62.100 0.024 0.000 0.999 360 T CB 1.011 69.880 68.868 0.001 0.000 1.098 360 T HN 0.168 nan 8.240 nan 0.000 0.477 361 L N 1.555 122.755 121.223 -0.038 0.000 2.386 361 L HA 0.615 4.956 4.340 0.001 0.000 0.271 361 L C -0.643 176.238 176.870 0.019 0.000 0.993 361 L CA -0.725 54.078 54.840 -0.062 0.000 0.819 361 L CB 2.157 44.138 42.059 -0.131 0.000 1.294 361 L HN 0.785 nan 8.230 nan 0.000 0.414 362 Q N 2.906 122.715 119.800 0.015 0.000 2.379 362 Q HA 0.503 4.844 4.340 0.001 0.000 0.278 362 Q C -1.639 174.378 176.000 0.028 0.000 1.068 362 Q CA -0.886 54.890 55.803 -0.046 0.000 0.816 362 Q CB 3.560 32.355 28.738 0.096 0.000 1.387 362 Q HN 0.331 nan 8.270 nan 0.000 0.413 363 L N 1.896 123.007 121.223 -0.187 0.000 2.307 363 L HA 0.474 4.814 4.340 0.001 0.000 0.284 363 L C -1.201 175.575 176.870 -0.157 0.000 1.023 363 L CA 0.062 54.824 54.840 -0.130 0.000 0.810 363 L CB 0.901 42.740 42.059 -0.366 0.000 1.231 363 L HN 0.618 nan 8.230 nan 0.000 0.423 364 H N 1.792 120.785 119.070 -0.128 0.000 2.797 364 H HA 0.270 4.827 4.556 0.001 0.000 0.372 364 H C -1.350 173.997 175.328 0.033 0.000 1.168 364 H CA -0.887 55.124 56.048 -0.061 0.000 1.163 364 H CB 2.254 32.002 29.762 -0.022 0.000 1.778 364 H HN 0.589 nan 8.280 nan 0.000 0.551 365 D N 1.167 121.670 120.400 0.171 0.000 2.304 365 D HA -0.011 4.629 4.640 0.001 0.000 0.250 365 D C 0.934 177.336 176.300 0.170 0.000 1.107 365 D CA -0.429 53.703 54.000 0.221 0.000 0.885 365 D CB 1.164 42.055 40.800 0.151 0.000 1.192 365 D HN 0.285 nan 8.370 nan 0.000 0.436 366 L N 4.688 126.001 121.223 0.149 0.000 2.056 366 L HA 0.039 4.380 4.340 0.001 0.000 0.207 366 L C 1.958 178.855 176.870 0.045 0.000 1.078 366 L CA 2.266 57.150 54.840 0.073 0.000 0.749 366 L CB -0.853 41.225 42.059 0.033 0.000 0.901 366 L HN 0.594 nan 8.230 nan 0.000 0.433 367 A N -1.301 121.545 122.820 0.043 0.000 1.902 367 A HA -0.180 4.140 4.320 0.001 0.000 0.217 367 A C 2.257 179.866 177.584 0.042 0.000 1.181 367 A CA 2.342 54.397 52.037 0.031 0.000 0.623 367 A CB -1.072 17.942 19.000 0.023 0.000 0.818 367 A HN 0.616 nan 8.150 nan 0.000 0.443 368 T N -5.914 108.674 114.554 0.056 0.000 2.990 368 T HA 0.431 4.781 4.350 0.001 0.000 0.249 368 T C 1.482 176.229 174.700 0.077 0.000 1.039 368 T CA 1.092 63.227 62.100 0.058 0.000 1.036 368 T CB 0.387 69.285 68.868 0.050 0.000 0.994 368 T HN 1.698 nan 8.240 nan 0.000 0.489 369 G N 1.703 110.563 108.800 0.100 0.000 2.176 369 G HA2 -0.055 3.906 3.960 0.001 0.000 0.253 369 G HA3 -0.055 3.906 3.960 0.001 0.000 0.253 369 G C 0.355 175.397 174.900 0.236 0.000 0.979 369 G CA -0.040 45.146 45.100 0.142 0.000 0.641 369 G HN 1.210 nan 8.290 nan 0.000 0.530 370 A N 0.062 122.961 122.820 0.132 0.000 2.462 370 A HA 0.612 4.932 4.320 0.001 0.000 0.243 370 A C 0.593 178.100 177.584 -0.129 0.000 1.076 370 A CA 0.409 52.473 52.037 0.044 0.000 0.773 370 A CB 0.518 19.520 19.000 0.004 0.000 1.010 370 A HN 1.695 nan 8.150 nan 0.000 0.493 371 L N 2.752 123.764 121.223 -0.352 0.000 2.410 371 L HA 0.318 4.659 4.340 0.001 0.000 0.273 371 L C 0.429 177.048 176.870 -0.418 0.000 1.152 371 L CA 0.529 54.913 54.840 -0.759 0.000 0.855 371 L CB 0.195 41.916 42.059 -0.563 0.000 1.129 371 L HN 0.721 nan 8.230 nan 0.000 0.463 372 L N 3.059 124.020 121.223 -0.436 0.000 2.547 372 L HA 0.395 4.735 4.340 0.001 0.000 0.218 372 L C 0.415 177.069 176.870 -0.360 0.000 1.048 372 L CA 0.000 54.647 54.840 -0.322 0.000 0.859 372 L CB -0.071 41.800 42.059 -0.313 0.000 1.128 372 L HN 0.491 nan 8.230 nan 0.000 0.483 373 K N 0.742 120.860 120.400 -0.470 0.000 2.542 373 K HA 0.514 4.834 4.320 0.001 0.000 0.259 373 K C -1.598 174.610 176.600 -0.653 0.000 0.932 373 K CA -0.323 55.633 56.287 -0.551 0.000 0.820 373 K CB 3.009 35.087 32.500 -0.703 0.000 1.345 373 K HN -0.105 nan 8.250 nan 0.000 0.432 374 I N 3.890 124.141 120.570 -0.531 0.000 2.330 374 I HA 0.304 4.474 4.170 0.001 0.000 0.289 374 I C -0.342 175.515 176.117 -0.433 0.000 1.001 374 I CA -0.788 60.258 61.300 -0.423 0.000 1.193 374 I CB 0.635 38.485 38.000 -0.250 0.000 1.345 374 I HN 0.379 nan 8.210 nan 0.000 0.461 375 F N 8.000 127.844 119.950 -0.176 0.000 2.444 375 F HA 0.232 4.759 4.527 0.001 0.000 0.360 375 F C -1.505 174.184 175.800 -0.183 0.000 1.106 375 F CA -1.976 55.915 58.000 -0.181 0.000 1.170 375 F CB 0.295 39.123 39.000 -0.286 0.000 1.113 375 F HN 0.282 nan 8.300 nan 0.000 0.521 376 P HA 0.132 nan 4.420 nan 0.000 0.266 376 P C -0.886 176.307 177.300 -0.178 0.000 1.215 376 P CA 0.362 63.410 63.100 -0.086 0.000 0.763 376 P CB 1.029 32.687 31.700 -0.070 0.000 0.806 377 L N 2.174 123.287 121.223 -0.184 0.000 2.393 377 L HA 0.413 4.754 4.340 0.001 0.000 0.260 377 L C 0.730 177.438 176.870 -0.270 0.000 1.002 377 L CA -1.072 53.569 54.840 -0.332 0.000 0.818 377 L CB 2.388 44.319 42.059 -0.215 0.000 1.369 377 L HN 0.253 nan 8.230 nan 0.000 0.412 378 E N 0.650 120.565 120.200 -0.476 0.000 2.602 378 E HA 0.256 4.607 4.350 0.001 0.000 0.255 378 E C -0.694 176.015 176.600 0.182 0.000 1.268 378 E CA -0.618 55.710 56.400 -0.119 0.000 1.007 378 E CB 1.254 30.922 29.700 -0.053 0.000 1.208 378 E HN 0.173 nan 8.360 nan 0.000 0.584 379 V N 1.189 121.269 119.914 0.276 0.000 2.403 379 V HA 0.403 4.523 4.120 0.001 0.000 0.265 379 V C 0.779 177.088 176.094 0.359 0.000 1.034 379 V CA 1.095 63.573 62.300 0.297 0.000 1.036 379 V CB -0.230 31.729 31.823 0.227 0.000 1.032 379 V HN 0.781 nan 8.190 nan 0.000 0.478 380 G N 4.045 113.042 108.800 0.329 0.000 2.393 380 G HA2 0.503 4.463 3.960 0.001 0.000 0.264 380 G HA3 0.503 4.463 3.960 0.001 0.000 0.264 380 G C -1.064 173.808 174.900 -0.045 0.000 1.221 380 G CA -0.262 44.803 45.100 -0.059 0.000 0.912 380 G HN 0.545 nan 8.290 nan 0.000 0.483 381 S N -1.210 114.316 115.700 -0.291 0.000 2.548 381 S HA 0.663 5.133 4.470 0.001 0.000 0.286 381 S C -0.669 173.954 174.600 0.038 0.000 1.098 381 S CA -0.491 57.672 58.200 -0.063 0.000 0.930 381 S CB 2.027 65.165 63.200 -0.105 0.000 1.070 381 S HN 0.784 nan 8.310 nan 0.000 0.480 382 V N 2.767 122.812 119.914 0.219 0.000 2.406 382 V HA 0.282 4.403 4.120 0.001 0.000 0.272 382 V C 0.156 176.407 176.094 0.262 0.000 1.043 382 V CA -0.203 62.301 62.300 0.341 0.000 0.915 382 V CB 1.129 33.216 31.823 0.441 0.000 0.988 382 V HN 0.814 nan 8.190 nan 0.000 0.466 383 V N 3.664 123.707 119.914 0.214 0.000 3.252 383 V HA 0.572 4.692 4.120 0.001 0.000 0.320 383 V C 0.696 176.877 176.094 0.146 0.000 1.459 383 V CA 0.424 62.806 62.300 0.138 0.000 1.095 383 V CB 0.385 32.254 31.823 0.077 0.000 0.997 383 V HN 0.927 nan 8.190 nan 0.000 0.469 384 G N -0.394 108.539 108.800 0.221 0.000 2.755 384 G HA2 0.600 4.561 3.960 0.001 0.000 0.297 384 G HA3 0.600 4.561 3.960 0.001 0.000 0.297 384 G C -2.246 172.857 174.900 0.338 0.000 1.441 384 G CA -0.561 44.673 45.100 0.223 0.000 0.964 384 G HN 0.037 nan 8.290 nan 0.000 0.540 385 Y N 0.985 121.350 120.300 0.108 0.000 2.604 385 Y HA 0.696 5.246 4.550 0.001 0.000 0.331 385 Y C -0.859 175.128 175.900 0.144 0.000 1.158 385 Y CA -0.530 57.665 58.100 0.159 0.000 1.056 385 Y CB 1.984 40.438 38.460 -0.010 0.000 1.330 385 Y HN 1.232 nan 8.280 nan 0.000 0.457 386 S N 2.516 117.716 115.700 -0.832 0.000 2.536 386 S HA 0.894 5.365 4.470 0.001 0.000 0.271 386 S C -0.636 173.518 174.600 -0.742 0.000 1.134 386 S CA -0.373 57.522 58.200 -0.507 0.000 0.897 386 S CB 1.547 64.780 63.200 0.056 0.000 1.094 386 S HN 2.013 nan 8.310 nan 0.000 0.473 387 G N 2.088 110.723 108.800 -0.276 0.000 2.145 387 G HA2 0.263 4.224 3.960 0.001 0.000 0.174 387 G HA3 0.263 4.224 3.960 0.001 0.000 0.174 387 G C -1.227 173.785 174.900 0.187 0.000 1.726 387 G CA -0.829 44.268 45.100 -0.005 0.000 1.080 387 G HN 0.586 nan 8.290 nan 0.000 0.606 388 Q N 1.046 120.934 119.800 0.146 0.000 2.166 388 Q HA 0.414 4.754 4.340 0.001 0.000 0.226 388 Q C 1.579 177.657 176.000 0.130 0.000 0.989 388 Q CA -0.765 55.128 55.803 0.150 0.000 0.966 388 Q CB 1.395 30.206 28.738 0.121 0.000 1.173 388 Q HN 0.619 nan 8.270 nan 0.000 0.509 389 K N 0.893 121.358 120.400 0.109 0.000 2.113 389 K HA -0.205 4.115 4.320 0.001 0.000 0.208 389 K C 1.487 178.124 176.600 0.061 0.000 1.047 389 K CA 2.039 58.372 56.287 0.078 0.000 0.928 389 K CB 0.105 32.641 32.500 0.061 0.000 0.716 389 K HN 0.467 nan 8.250 nan 0.000 0.446 390 K N -0.325 120.113 120.400 0.062 0.000 2.418 390 K HA 0.021 4.342 4.320 0.001 0.000 0.195 390 K C -0.264 176.359 176.600 0.039 0.000 1.035 390 K CA 0.237 56.549 56.287 0.042 0.000 1.003 390 K CB 0.192 32.714 32.500 0.036 0.000 0.793 390 K HN -0.012 nan 8.250 nan 0.000 0.494 391 D N 2.277 122.713 120.400 0.059 0.000 2.344 391 D HA -0.007 4.633 4.640 0.001 0.000 0.244 391 D C 0.570 176.916 176.300 0.077 0.000 1.134 391 D CA 0.394 54.434 54.000 0.067 0.000 0.930 391 D CB 1.722 42.576 40.800 0.091 0.000 1.175 391 D HN 0.287 nan 8.370 nan 0.000 0.437 392 T N -2.669 111.934 114.554 0.080 0.000 3.182 392 T HA 0.224 4.575 4.350 0.001 0.000 0.277 392 T C 0.211 174.961 174.700 0.084 0.000 1.013 392 T CA -0.533 61.615 62.100 0.079 0.000 0.900 392 T CB 0.045 68.948 68.868 0.058 0.000 1.098 392 T HN 0.573 nan 8.240 nan 0.000 0.543 393 E N 1.004 121.255 120.200 0.084 0.000 2.430 393 E HA 0.631 4.982 4.350 0.001 0.000 0.279 393 E C -1.364 175.235 176.600 -0.002 0.000 1.003 393 E CA -1.393 55.003 56.400 -0.006 0.000 0.801 393 E CB 1.835 31.533 29.700 -0.002 0.000 1.313 393 E HN 0.414 nan 8.360 nan 0.000 0.459 394 I N -1.806 118.677 120.570 -0.145 0.000 2.828 394 I HA 0.723 4.893 4.170 0.001 0.000 0.302 394 I C -1.506 174.484 176.117 -0.212 0.000 1.101 394 I CA -1.209 60.049 61.300 -0.069 0.000 1.031 394 I CB 1.768 39.818 38.000 0.085 0.000 1.231 394 I HN 0.446 nan 8.210 nan 0.000 0.427 395 F N 3.332 123.285 119.950 0.005 0.000 2.565 395 F HA 0.678 5.205 4.527 0.001 0.000 0.313 395 F C -0.916 174.999 175.800 0.192 0.000 1.091 395 F CA -0.549 57.465 58.000 0.023 0.000 0.915 395 F CB 2.218 41.199 39.000 -0.032 0.000 1.208 395 F HN 0.522 nan 8.300 nan 0.000 0.453 396 Y N -0.052 120.441 120.300 0.321 0.000 2.479 396 Y HA 0.583 5.134 4.550 0.001 0.000 0.338 396 Y C -1.224 174.919 175.900 0.406 0.000 1.055 396 Y CA -1.248 57.072 58.100 0.367 0.000 1.023 396 Y CB 1.316 39.992 38.460 0.360 0.000 1.287 396 Y HN 0.596 nan 8.280 nan 0.000 0.447 397 Q N 3.628 123.723 119.800 0.493 0.000 2.307 397 Q HA 0.466 4.806 4.340 0.001 0.000 0.262 397 Q C -1.970 174.308 176.000 0.464 0.000 0.961 397 Q CA -0.875 55.165 55.803 0.395 0.000 0.882 397 Q CB 1.406 30.320 28.738 0.293 0.000 1.264 397 Q HN 0.769 nan 8.270 nan 0.000 0.446 398 F N 2.399 122.540 119.950 0.318 0.000 2.480 398 F HA 0.662 5.190 4.527 0.001 0.000 0.329 398 F C -0.673 175.230 175.800 0.172 0.000 1.091 398 F CA -0.166 58.006 58.000 0.286 0.000 0.972 398 F CB 2.130 41.371 39.000 0.402 0.000 1.150 398 F HN 0.457 nan 8.300 nan 0.000 0.467 399 T N 2.884 116.927 114.554 -0.851 0.000 2.816 399 T HA 0.749 5.099 4.350 0.001 0.000 0.299 399 T C -1.285 172.888 174.700 -0.879 0.000 1.230 399 T CA -0.045 61.676 62.100 -0.632 0.000 1.007 399 T CB 1.253 69.987 68.868 -0.223 0.000 1.289 399 T HN 1.050 nan 8.240 nan 0.000 0.508 400 S N 0.615 116.043 115.700 -0.453 0.000 2.672 400 S HA 0.532 5.003 4.470 0.001 0.000 0.271 400 S C 0.312 174.814 174.600 -0.164 0.000 1.171 400 S CA -0.809 57.168 58.200 -0.371 0.000 0.817 400 S CB 0.318 63.420 63.200 -0.163 0.000 1.150 400 S HN 0.547 nan 8.310 nan 0.000 0.478 401 F N 0.293 120.210 119.950 -0.056 0.000 2.216 401 F HA 0.154 4.682 4.527 0.001 0.000 0.300 401 F C 1.831 177.679 175.800 0.080 0.000 1.085 401 F CA 1.178 59.160 58.000 -0.030 0.000 1.326 401 F CB -0.154 38.785 39.000 -0.101 0.000 1.027 401 F HN 0.333 nan 8.300 nan 0.000 0.497 402 L N -1.347 120.053 121.223 0.295 0.000 2.638 402 L HA 0.162 4.503 4.340 0.001 0.000 0.232 402 L C 0.674 177.697 176.870 0.256 0.000 1.099 402 L CA -0.118 54.889 54.840 0.277 0.000 0.883 402 L CB -0.069 42.107 42.059 0.194 0.000 1.136 402 L HN -0.045 nan 8.230 nan 0.000 0.492 403 S N -1.182 114.592 115.700 0.123 0.000 2.454 403 S HA 0.417 4.887 4.470 0.001 0.000 0.306 403 S C -2.106 172.176 174.600 -0.529 0.000 1.100 403 S CA -1.338 56.783 58.200 -0.131 0.000 1.087 403 S CB 1.983 65.200 63.200 0.028 0.000 1.019 403 S HN -0.212 nan 8.310 nan 0.000 0.480 404 P HA 0.139 nan 4.420 nan 0.000 0.216 404 P C 0.652 177.749 177.300 -0.337 0.000 1.150 404 P CA 1.792 64.231 63.100 -1.102 0.000 0.843 404 P CB -0.225 30.987 31.700 -0.814 0.000 0.787 405 G N -1.420 107.277 108.800 -0.172 0.000 2.397 405 G HA2 0.177 4.137 3.960 0.001 0.000 0.453 405 G HA3 0.177 4.137 3.960 0.001 0.000 0.453 405 G C -1.507 173.421 174.900 0.046 0.000 1.579 405 G CA -0.851 44.247 45.100 -0.003 0.000 0.906 405 G HN 0.013 nan 8.290 nan 0.000 0.675 406 I N 1.968 122.612 120.570 0.125 0.000 2.465 406 I HA 0.503 4.673 4.170 0.001 0.000 0.291 406 I C 0.134 176.199 176.117 -0.086 0.000 1.014 406 I CA -1.017 60.251 61.300 -0.053 0.000 1.093 406 I CB 2.127 40.019 38.000 -0.181 0.000 1.267 406 I HN 0.344 nan 8.210 nan 0.000 0.431 407 I N 6.035 126.508 120.570 -0.161 0.000 2.321 407 I HA 0.307 4.478 4.170 0.001 0.000 0.291 407 I C -0.814 175.158 176.117 -0.242 0.000 0.998 407 I CA -0.446 60.825 61.300 -0.048 0.000 1.227 407 I CB 0.742 38.806 38.000 0.105 0.000 1.368 407 I HN 0.401 nan 8.210 nan 0.000 0.466 408 Y N 4.692 124.848 120.300 -0.241 0.000 2.453 408 Y HA 0.483 5.033 4.550 0.001 0.000 0.326 408 Y C 0.219 175.880 175.900 -0.399 0.000 1.186 408 Y CA -0.490 57.345 58.100 -0.441 0.000 1.200 408 Y CB 1.206 39.055 38.460 -1.018 0.000 1.247 408 Y HN 0.468 nan 8.280 nan 0.000 0.482 409 H N 0.749 119.651 119.070 -0.282 0.000 2.894 409 H HA 0.541 5.098 4.556 0.001 0.000 0.367 409 H C -1.849 173.283 175.328 -0.326 0.000 1.144 409 H CA -0.756 54.963 56.048 -0.547 0.000 1.180 409 H CB 2.165 31.495 29.762 -0.721 0.000 1.758 409 H HN 0.814 nan 8.280 nan 0.000 0.541 410 C N 5.164 123.895 119.300 -0.947 0.000 2.599 410 C HA 0.165 4.626 4.460 0.001 0.000 0.354 410 C C -0.747 173.879 174.990 -0.607 0.000 1.092 410 C CA -0.699 57.971 59.018 -0.580 0.000 1.280 410 C CB 0.442 28.075 27.740 -0.179 0.000 1.829 410 C HN 0.891 nan 8.230 nan 0.000 0.454 411 D N 4.272 124.387 120.400 -0.474 0.000 2.338 411 D HA 0.164 4.805 4.640 0.001 0.000 0.255 411 D C 0.921 177.189 176.300 -0.052 0.000 1.237 411 D CA 0.070 53.938 54.000 -0.219 0.000 0.883 411 D CB 0.717 41.459 40.800 -0.098 0.000 1.087 411 D HN 0.699 nan 8.370 nan 0.000 0.485 412 L N 3.049 124.286 121.223 0.023 0.000 2.599 412 L HA -0.030 4.311 4.340 0.001 0.000 0.230 412 L C 2.199 179.171 176.870 0.169 0.000 1.141 412 L CA 0.628 55.565 54.840 0.161 0.000 0.877 412 L CB -0.321 41.909 42.059 0.285 0.000 1.009 412 L HN 0.472 nan 8.230 nan 0.000 0.447 413 T N -4.018 110.589 114.554 0.088 0.000 3.014 413 T HA -0.006 4.344 4.350 0.001 0.000 0.263 413 T C 1.070 175.808 174.700 0.063 0.000 1.078 413 T CA -0.003 62.136 62.100 0.065 0.000 1.135 413 T CB -0.019 68.874 68.868 0.042 0.000 0.895 413 T HN -0.045 nan 8.240 nan 0.000 0.480 414 K N 2.119 122.554 120.400 0.057 0.000 2.448 414 K HA 0.114 4.434 4.320 0.001 0.000 0.278 414 K C 1.221 177.855 176.600 0.058 0.000 1.009 414 K CA 0.113 56.427 56.287 0.045 0.000 0.995 414 K CB 1.206 33.723 32.500 0.029 0.000 0.917 414 K HN 0.282 nan 8.250 nan 0.000 0.481 415 E N 2.380 122.606 120.200 0.043 0.000 2.049 415 E HA -0.197 4.154 4.350 0.001 0.000 0.198 415 E C -0.211 176.410 176.600 0.035 0.000 1.007 415 E CA 1.695 58.120 56.400 0.042 0.000 0.809 415 E CB 0.261 29.977 29.700 0.025 0.000 0.749 415 E HN 0.374 nan 8.360 nan 0.000 0.450 416 E N 0.493 120.705 120.200 0.020 0.000 2.081 416 E HA 0.180 4.531 4.350 0.001 0.000 0.276 416 E C -0.679 175.927 176.600 0.010 0.000 0.950 416 E CA -0.398 56.005 56.400 0.006 0.000 0.776 416 E CB 0.963 30.662 29.700 -0.002 0.000 1.094 416 E HN 0.256 nan 8.360 nan 0.000 0.402 417 L N 3.500 124.727 121.223 0.006 0.000 2.477 417 L HA 0.081 4.422 4.340 0.001 0.000 0.272 417 L C 0.692 177.579 176.870 0.028 0.000 1.157 417 L CA 0.331 55.186 54.840 0.024 0.000 0.889 417 L CB 0.270 42.346 42.059 0.027 0.000 1.158 417 L HN 0.155 nan 8.230 nan 0.000 0.473 418 E N 5.470 125.688 120.200 0.030 0.000 2.256 418 E HA 0.294 4.644 4.350 0.001 0.000 0.243 418 E C -2.252 174.372 176.600 0.041 0.000 0.925 418 E CA -1.705 54.714 56.400 0.032 0.000 0.748 418 E CB 1.096 30.806 29.700 0.016 0.000 1.206 418 E HN 0.363 nan 8.360 nan 0.000 0.428 419 P HA 0.275 nan 4.420 nan 0.000 0.271 419 P C -0.224 177.137 177.300 0.102 0.000 1.216 419 P CA -0.293 62.868 63.100 0.101 0.000 0.771 419 P CB 1.353 33.193 31.700 0.233 0.000 0.864 420 R N 1.480 122.037 120.500 0.095 0.000 2.836 420 R HA 0.489 4.829 4.340 0.001 0.000 0.269 420 R C -0.959 175.413 176.300 0.120 0.000 1.010 420 R CA -0.958 55.212 56.100 0.116 0.000 0.930 420 R CB 1.735 32.078 30.300 0.072 0.000 1.218 420 R HN 0.174 nan 8.270 nan 0.000 0.473 421 V N 3.887 123.816 119.914 0.026 0.000 2.572 421 V HA 0.073 4.193 4.120 0.001 0.000 0.291 421 V C 0.343 176.395 176.094 -0.069 0.000 1.039 421 V CA 0.610 62.814 62.300 -0.159 0.000 1.055 421 V CB 0.912 32.611 31.823 -0.206 0.000 0.969 421 V HN 0.713 nan 8.190 nan 0.000 0.482 422 F N 4.354 124.156 119.950 -0.246 0.000 2.553 422 F HA 0.445 4.972 4.527 0.001 0.000 0.282 422 F C 0.984 176.601 175.800 -0.306 0.000 1.089 422 F CA -0.005 57.857 58.000 -0.230 0.000 1.411 422 F CB 0.482 39.401 39.000 -0.134 0.000 1.125 422 F HN 0.450 nan 8.300 nan 0.000 0.610 423 R N 1.015 121.363 120.500 -0.255 0.000 2.535 423 R HA 0.358 4.699 4.340 0.001 0.000 0.274 423 R C -1.920 174.233 176.300 -0.244 0.000 1.090 423 R CA -0.419 55.463 56.100 -0.364 0.000 0.930 423 R CB 1.323 31.380 30.300 -0.405 0.000 1.223 423 R HN 0.184 nan 8.270 nan 0.000 0.441 424 E N 3.626 123.694 120.200 -0.219 0.000 2.291 424 E HA 0.475 4.825 4.350 0.001 0.000 0.276 424 E C -1.624 174.924 176.600 -0.087 0.000 0.896 424 E CA -0.895 55.420 56.400 -0.141 0.000 0.774 424 E CB 1.876 31.482 29.700 -0.157 0.000 1.227 424 E HN 0.444 nan 8.360 nan 0.000 0.413 425 V N 0.917 120.814 119.914 -0.029 0.000 2.656 425 V HA 0.756 4.877 4.120 0.001 0.000 0.307 425 V C -0.526 175.530 176.094 -0.062 0.000 1.051 425 V CA -0.468 61.839 62.300 0.012 0.000 0.893 425 V CB 1.644 33.561 31.823 0.157 0.000 0.999 425 V HN 0.604 nan 8.190 nan 0.000 0.426 426 T N 3.010 117.522 114.554 -0.069 0.000 2.856 426 T HA 0.606 4.956 4.350 0.001 0.000 0.283 426 T C -0.635 173.983 174.700 -0.136 0.000 1.008 426 T CA -0.344 61.682 62.100 -0.123 0.000 0.997 426 T CB 1.552 70.377 68.868 -0.071 0.000 0.992 426 T HN 0.820 nan 8.240 nan 0.000 0.454 427 V N 7.577 127.370 119.914 -0.202 0.000 2.322 427 V HA 0.251 4.371 4.120 0.001 0.000 0.258 427 V C 0.641 176.720 176.094 -0.025 0.000 1.074 427 V CA -0.859 61.352 62.300 -0.149 0.000 0.909 427 V CB 0.143 31.843 31.823 -0.205 0.000 1.090 427 V HN 0.746 nan 8.190 nan 0.000 0.486 428 K N 3.853 124.256 120.400 0.004 0.000 2.315 428 K HA 0.332 4.652 4.320 0.001 0.000 0.281 428 K C 0.842 177.471 176.600 0.048 0.000 1.086 428 K CA 0.756 57.059 56.287 0.027 0.000 1.042 428 K CB 0.282 32.799 32.500 0.029 0.000 0.949 428 K HN 0.797 nan 8.250 nan 0.000 0.450 429 G N 3.035 111.869 108.800 0.056 0.000 4.003 429 G HA2 -0.062 3.899 3.960 0.001 0.000 0.204 429 G HA3 -0.062 3.899 3.960 0.001 0.000 0.204 429 G C -0.219 174.731 174.900 0.084 0.000 1.077 429 G CA -0.646 44.500 45.100 0.077 0.000 0.872 429 G HN 0.474 nan 8.290 nan 0.000 0.350 430 I N 3.030 123.650 120.570 0.083 0.000 2.282 430 I HA 0.298 4.468 4.170 0.001 0.000 0.290 430 I C -0.851 175.353 176.117 0.145 0.000 1.090 430 I CA -0.525 60.837 61.300 0.103 0.000 1.231 430 I CB 1.298 39.337 38.000 0.065 0.000 1.434 430 I HN 0.061 nan 8.210 nan 0.000 0.487 431 D N 5.357 125.865 120.400 0.180 0.000 2.374 431 D HA 0.244 4.884 4.640 0.001 0.000 0.240 431 D C 1.174 177.614 176.300 0.233 0.000 1.229 431 D CA -0.008 54.077 54.000 0.140 0.000 0.895 431 D CB 1.518 42.353 40.800 0.059 0.000 1.046 431 D HN 0.611 nan 8.370 nan 0.000 0.498 432 A N 2.973 125.914 122.820 0.203 0.000 1.986 432 A HA -0.202 4.119 4.320 0.001 0.000 0.220 432 A C 2.169 179.864 177.584 0.185 0.000 1.171 432 A CA 1.703 53.886 52.037 0.245 0.000 0.640 432 A CB -0.340 18.753 19.000 0.155 0.000 0.811 432 A HN 0.564 nan 8.150 nan 0.000 0.451 433 S N 0.474 116.220 115.700 0.076 0.000 2.442 433 S HA -0.119 4.352 4.470 0.001 0.000 0.236 433 S C 0.981 175.527 174.600 -0.089 0.000 1.007 433 S CA 1.272 59.476 58.200 0.006 0.000 0.965 433 S CB -0.331 62.864 63.200 -0.008 0.000 0.773 433 S HN 0.652 nan 8.310 nan 0.000 0.504 434 D N -0.042 120.223 120.400 -0.225 0.000 2.355 434 D HA 0.134 4.774 4.640 0.001 0.000 0.218 434 D C -0.121 175.672 176.300 -0.845 0.000 1.004 434 D CA 0.567 54.224 54.000 -0.573 0.000 0.880 434 D CB 0.051 40.363 40.800 -0.812 0.000 0.911 434 D HN 0.443 nan 8.370 nan 0.000 0.528 435 Y N -0.006 120.270 120.300 -0.040 0.000 2.662 435 Y HA 0.435 4.986 4.550 0.001 0.000 0.335 435 Y C 0.209 176.054 175.900 -0.092 0.000 1.066 435 Y CA -1.331 56.723 58.100 -0.077 0.000 1.116 435 Y CB 1.269 39.690 38.460 -0.065 0.000 1.308 435 Y HN -0.298 nan 8.280 nan 0.000 0.502 436 Q N -0.693 119.096 119.800 -0.018 0.000 2.418 436 Q HA 0.707 5.048 4.340 0.001 0.000 0.282 436 Q C -1.823 174.108 176.000 -0.116 0.000 1.044 436 Q CA -1.087 54.675 55.803 -0.069 0.000 0.813 436 Q CB 2.383 31.053 28.738 -0.113 0.000 1.428 436 Q HN 0.588 nan 8.270 nan 0.000 0.402 437 T N 1.739 116.292 114.554 -0.002 0.000 2.791 437 T HA 0.521 4.872 4.350 0.001 0.000 0.288 437 T C -0.414 174.356 174.700 0.117 0.000 0.999 437 T CA -0.559 61.562 62.100 0.034 0.000 0.952 437 T CB 1.131 70.059 68.868 0.100 0.000 0.938 437 T HN 0.539 nan 8.240 nan 0.000 0.444 438 V N 2.104 122.103 119.914 0.141 0.000 2.628 438 V HA 0.716 4.836 4.120 0.001 0.000 0.306 438 V C -0.536 175.681 176.094 0.205 0.000 1.045 438 V CA -1.083 61.330 62.300 0.188 0.000 0.905 438 V CB 1.841 33.792 31.823 0.212 0.000 0.997 438 V HN 0.858 nan 8.190 nan 0.000 0.436 439 Q N 3.140 123.034 119.800 0.157 0.000 2.322 439 Q HA 0.745 5.086 4.340 0.001 0.000 0.265 439 Q C -1.074 174.826 176.000 -0.166 0.000 0.985 439 Q CA -0.760 55.013 55.803 -0.050 0.000 0.849 439 Q CB 1.871 30.559 28.738 -0.083 0.000 1.274 439 Q HN 0.968 nan 8.270 nan 0.000 0.449 440 I N -0.480 119.892 120.570 -0.330 0.000 3.108 440 I HA 0.678 4.848 4.170 0.001 0.000 0.312 440 I C -1.443 174.335 176.117 -0.566 0.000 1.095 440 I CA -0.901 60.248 61.300 -0.251 0.000 1.000 440 I CB 1.645 39.599 38.000 -0.077 0.000 1.229 440 I HN 0.450 nan 8.210 nan 0.000 0.454 441 F N 2.896 122.806 119.950 -0.068 0.000 2.553 441 F HA 0.553 5.080 4.527 0.001 0.000 0.335 441 F C -0.831 174.901 175.800 -0.113 0.000 1.148 441 F CA -0.522 57.408 58.000 -0.117 0.000 0.963 441 F CB 1.480 40.420 39.000 -0.099 0.000 1.217 441 F HN 0.523 nan 8.300 nan 0.000 0.441 442 Y N 1.649 121.904 120.300 -0.075 0.000 2.420 442 Y HA 0.858 5.409 4.550 0.001 0.000 0.334 442 Y C -3.168 172.756 175.900 0.040 0.000 1.094 442 Y CA -3.967 54.084 58.100 -0.082 0.000 1.126 442 Y CB 0.944 39.215 38.460 -0.315 0.000 1.217 442 Y HN 0.266 nan 8.280 nan 0.000 0.462 443 P HA 0.146 nan 4.420 nan 0.000 0.282 443 P C -0.292 177.083 177.300 0.124 0.000 1.262 443 P CA -0.085 63.052 63.100 0.061 0.000 0.773 443 P CB 1.538 33.296 31.700 0.097 0.000 0.879 444 S N 2.613 118.329 115.700 0.027 0.000 2.652 444 S HA 0.148 4.618 4.470 0.001 0.000 0.267 444 S C 1.564 176.205 174.600 0.067 0.000 1.201 444 S CA -0.451 57.801 58.200 0.087 0.000 0.996 444 S CB 0.319 63.523 63.200 0.006 0.000 1.054 444 S HN 0.408 nan 8.310 nan 0.000 0.561 445 K N 0.306 120.742 120.400 0.059 0.000 2.059 445 K HA -0.200 4.121 4.320 0.001 0.000 0.212 445 K C 0.994 177.602 176.600 0.014 0.000 1.050 445 K CA 2.316 58.626 56.287 0.038 0.000 0.927 445 K CB -0.495 32.023 32.500 0.030 0.000 0.714 445 K HN 0.770 nan 8.250 nan 0.000 0.447 446 D N -2.049 118.346 120.400 -0.009 0.000 2.340 446 D HA 0.063 4.704 4.640 0.001 0.000 0.220 446 D C 1.015 177.305 176.300 -0.018 0.000 1.039 446 D CA 0.770 54.758 54.000 -0.021 0.000 0.866 446 D CB 0.477 41.250 40.800 -0.046 0.000 0.913 446 D HN 0.456 nan 8.370 nan 0.000 0.523 447 G N -0.651 108.145 108.800 -0.006 0.000 2.213 447 G HA2 -0.261 3.699 3.960 0.001 0.000 0.236 447 G HA3 -0.261 3.699 3.960 0.001 0.000 0.236 447 G C 0.469 175.358 174.900 -0.018 0.000 0.991 447 G CA 0.102 45.200 45.100 -0.004 0.000 0.629 447 G HN 0.427 nan 8.290 nan 0.000 0.517 448 T N 3.665 118.199 114.554 -0.034 0.000 2.867 448 T HA 0.378 4.728 4.350 0.001 0.000 0.297 448 T C 0.465 175.140 174.700 -0.043 0.000 0.989 448 T CA 0.261 62.340 62.100 -0.033 0.000 1.159 448 T CB 0.866 69.696 68.868 -0.064 0.000 0.928 448 T HN 0.186 nan 8.240 nan 0.000 0.538 449 K N 3.956 124.343 120.400 -0.021 0.000 2.339 449 K HA 0.278 4.598 4.320 0.001 0.000 0.286 449 K C -0.082 176.537 176.600 0.032 0.000 1.050 449 K CA -0.329 55.933 56.287 -0.041 0.000 0.956 449 K CB 0.581 33.055 32.500 -0.044 0.000 0.990 449 K HN 0.430 nan 8.250 nan 0.000 0.475 450 I N 5.286 125.717 120.570 -0.233 0.000 2.433 450 I HA 0.313 4.484 4.170 0.001 0.000 0.292 450 I C -2.348 173.655 176.117 -0.191 0.000 1.001 450 I CA -3.180 58.028 61.300 -0.152 0.000 1.119 450 I CB 1.357 39.031 38.000 -0.543 0.000 1.289 450 I HN 0.165 nan 8.210 nan 0.000 0.438 451 P HA 0.437 nan 4.420 nan 0.000 0.278 451 P C -0.748 176.415 177.300 -0.229 0.000 1.238 451 P CA -0.526 62.360 63.100 -0.356 0.000 0.794 451 P CB 0.947 32.456 31.700 -0.318 0.000 0.955 452 M N 2.920 122.296 119.600 -0.374 0.000 2.277 452 M HA 0.456 4.937 4.480 0.001 0.000 0.282 452 M C -1.924 174.213 176.300 -0.270 0.000 1.074 452 M CA -0.487 54.707 55.300 -0.176 0.000 0.954 452 M CB 1.183 33.781 32.600 -0.004 0.000 1.672 452 M HN 0.060 nan 8.290 nan 0.000 0.471 453 F N 5.404 125.350 119.950 -0.006 0.000 2.404 453 F HA 0.573 5.100 4.527 0.001 0.000 0.345 453 F C -0.219 175.501 175.800 -0.133 0.000 1.110 453 F CA -0.521 57.452 58.000 -0.045 0.000 1.130 453 F CB 1.050 40.068 39.000 0.030 0.000 1.129 453 F HN 0.402 nan 8.300 nan 0.000 0.500 454 I N 4.319 124.934 120.570 0.074 0.000 2.436 454 I HA 0.409 4.580 4.170 0.001 0.000 0.289 454 I C -1.111 174.997 176.117 -0.016 0.000 1.010 454 I CA -0.948 60.340 61.300 -0.019 0.000 1.098 454 I CB 1.914 39.852 38.000 -0.103 0.000 1.266 454 I HN 0.160 nan 8.210 nan 0.000 0.434 455 V N 5.941 125.812 119.914 -0.072 0.000 2.448 455 V HA 0.538 4.658 4.120 0.001 0.000 0.295 455 V C -0.698 175.431 176.094 0.058 0.000 1.025 455 V CA -0.469 61.764 62.300 -0.110 0.000 0.859 455 V CB 1.334 32.998 31.823 -0.264 0.000 0.988 455 V HN 0.962 nan 8.190 nan 0.000 0.431 456 H N 2.131 121.246 119.070 0.076 0.000 2.948 456 H HA 0.648 5.205 4.556 0.001 0.000 0.315 456 H C -1.008 174.441 175.328 0.200 0.000 1.360 456 H CA -1.279 54.836 56.048 0.110 0.000 1.125 456 H CB 1.129 30.943 29.762 0.086 0.000 1.844 456 H HN 0.383 nan 8.280 nan 0.000 0.529 457 K N 1.214 121.807 120.400 0.320 0.000 2.295 457 K HA 0.193 4.514 4.320 0.001 0.000 0.270 457 K C -0.387 176.287 176.600 0.124 0.000 1.011 457 K CA -0.624 55.731 56.287 0.115 0.000 0.953 457 K CB 0.759 33.262 32.500 0.005 0.000 0.956 457 K HN 0.425 nan 8.250 nan 0.000 0.477 458 K N 0.497 120.872 120.400 -0.042 0.000 2.382 458 K HA 0.043 4.364 4.320 0.001 0.000 0.275 458 K C 0.861 177.478 176.600 0.027 0.000 1.009 458 K CA 0.613 56.908 56.287 0.013 0.000 0.970 458 K CB 0.516 32.986 32.500 -0.052 0.000 0.934 458 K HN 0.904 nan 8.250 nan 0.000 0.479 459 G N 2.254 111.093 108.800 0.064 0.000 2.153 459 G HA2 -0.263 3.698 3.960 0.001 0.000 0.252 459 G HA3 -0.263 3.698 3.960 0.001 0.000 0.252 459 G C 0.219 175.124 174.900 0.010 0.000 0.994 459 G CA 0.441 45.558 45.100 0.028 0.000 0.698 459 G HN 0.722 nan 8.290 nan 0.000 0.521 460 I N -2.259 118.311 120.570 -0.000 0.000 2.720 460 I HA 0.607 4.777 4.170 0.001 0.000 0.287 460 I C 0.464 176.557 176.117 -0.041 0.000 1.090 460 I CA -0.814 60.452 61.300 -0.057 0.000 1.384 460 I CB 0.642 38.491 38.000 -0.253 0.000 1.420 460 I HN -0.041 nan 8.210 nan 0.000 0.575 461 K N 5.560 125.991 120.400 0.052 0.000 2.276 461 K HA 0.381 4.702 4.320 0.001 0.000 0.283 461 K C -0.581 176.046 176.600 0.045 0.000 1.044 461 K CA -0.403 55.903 56.287 0.031 0.000 0.944 461 K CB 1.273 33.793 32.500 0.032 0.000 1.012 461 K HN 0.585 nan 8.250 nan 0.000 0.472 462 L N 4.432 125.598 121.223 -0.094 0.000 2.583 462 L HA 0.040 4.381 4.340 0.001 0.000 0.239 462 L C 0.246 177.040 176.870 -0.127 0.000 1.347 462 L CA -0.114 54.612 54.840 -0.190 0.000 1.246 462 L CB -0.605 41.244 42.059 -0.351 0.000 1.496 462 L HN 0.698 nan 8.230 nan 0.000 0.413 463 D N -0.919 119.435 120.400 -0.076 0.000 2.402 463 D HA 0.094 4.734 4.640 0.001 0.000 0.216 463 D C 1.359 177.591 176.300 -0.114 0.000 1.128 463 D CA 0.183 54.125 54.000 -0.097 0.000 0.833 463 D CB 0.594 41.337 40.800 -0.095 0.000 0.971 463 D HN 0.326 nan 8.370 nan 0.000 0.503 464 G N 0.779 109.522 108.800 -0.095 0.000 2.175 464 G HA2 -0.379 3.581 3.960 0.001 0.000 0.265 464 G HA3 -0.379 3.581 3.960 0.001 0.000 0.265 464 G C 1.129 175.960 174.900 -0.114 0.000 0.979 464 G CA 0.926 45.985 45.100 -0.069 0.000 0.663 464 G HN 0.687 nan 8.290 nan 0.000 0.533 465 S N -0.307 115.226 115.700 -0.279 0.000 2.562 465 S HA 0.157 4.627 4.470 0.001 0.000 0.221 465 S C 0.867 175.276 174.600 -0.318 0.000 0.975 465 S CA 0.218 58.230 58.200 -0.313 0.000 0.918 465 S CB -0.034 62.947 63.200 -0.366 0.000 0.772 465 S HN 0.632 nan 8.310 nan 0.000 0.531 466 H N 2.617 121.697 119.070 0.016 0.000 2.525 466 H HA 0.422 4.978 4.556 0.001 0.000 0.339 466 H C -2.838 172.539 175.328 0.082 0.000 1.109 466 H CA -2.139 53.928 56.048 0.032 0.000 1.352 466 H CB 0.211 29.992 29.762 0.033 0.000 1.461 466 H HN 0.188 nan 8.280 nan 0.000 0.533 467 P HA 0.254 nan 4.420 nan 0.000 0.275 467 P C -0.906 176.634 177.300 0.401 0.000 1.228 467 P CA -0.209 63.058 63.100 0.278 0.000 0.786 467 P CB 0.914 32.771 31.700 0.263 0.000 0.927 468 A N 2.615 125.726 122.820 0.486 0.000 2.435 468 A HA 0.726 5.047 4.320 0.001 0.000 0.304 468 A C -1.753 176.143 177.584 0.520 0.000 1.064 468 A CA -0.482 51.862 52.037 0.512 0.000 0.727 468 A CB 0.867 20.046 19.000 0.298 0.000 1.284 468 A HN 0.472 nan 8.150 nan 0.000 0.415 469 F N 2.463 122.597 119.950 0.307 0.000 2.434 469 F HA 0.580 5.107 4.527 0.001 0.000 0.355 469 F C -1.038 174.840 175.800 0.131 0.000 1.115 469 F CA -0.867 57.161 58.000 0.047 0.000 1.010 469 F CB 1.419 40.257 39.000 -0.269 0.000 1.234 469 F HN 0.478 nan 8.300 nan 0.000 0.439 470 L N 8.130 129.290 121.223 -0.105 0.000 2.272 470 L HA 0.451 4.792 4.340 0.001 0.000 0.289 470 L C -1.795 175.112 176.870 0.062 0.000 1.032 470 L CA -0.558 54.274 54.840 -0.012 0.000 0.810 470 L CB 0.662 42.640 42.059 -0.136 0.000 1.205 470 L HN 0.606 nan 8.230 nan 0.000 0.422 471 Y N 4.276 124.659 120.300 0.138 0.000 2.457 471 Y HA 0.837 5.387 4.550 0.001 0.000 0.333 471 Y C 0.198 176.313 175.900 0.358 0.000 1.119 471 Y CA 0.072 58.292 58.100 0.201 0.000 1.143 471 Y CB 1.979 40.570 38.460 0.218 0.000 1.230 471 Y HN 0.745 nan 8.280 nan 0.000 0.469 472 G N 2.675 111.079 108.800 -0.659 0.000 2.601 472 G HA2 0.280 4.240 3.960 0.001 0.000 0.291 472 G HA3 0.280 4.240 3.960 0.001 0.000 0.291 472 G C -2.022 172.471 174.900 -0.678 0.000 1.456 472 G CA -0.405 44.381 45.100 -0.523 0.000 0.804 472 G HN 0.642 nan 8.290 nan 0.000 0.499 473 Y N 0.219 120.264 120.300 -0.426 0.000 3.208 473 Y HA 0.447 4.998 4.550 0.001 0.000 0.205 473 Y C 1.637 177.408 175.900 -0.215 0.000 0.923 473 Y CA 1.609 59.539 58.100 -0.282 0.000 1.596 473 Y CB 0.522 38.933 38.460 -0.081 0.000 1.478 473 Y HN 1.762 nan 8.280 nan 0.000 0.409 474 G N 1.227 110.034 108.800 0.011 0.000 2.385 474 G HA2 0.290 4.251 3.960 0.001 0.000 0.294 474 G HA3 0.290 4.251 3.960 0.001 0.000 0.294 474 G C 0.089 174.884 174.900 -0.176 0.000 1.070 474 G CA 0.615 45.650 45.100 -0.109 0.000 1.172 474 G HN 1.328 nan 8.290 nan 0.000 0.516 475 G N -1.391 107.431 108.800 0.038 0.000 2.338 475 G HA2 0.616 4.576 3.960 0.001 0.000 0.295 475 G HA3 0.616 4.576 3.960 0.001 0.000 0.295 475 G C -0.022 175.027 174.900 0.248 0.000 1.461 475 G CA 0.145 45.223 45.100 -0.038 0.000 0.817 475 G HN 1.423 nan 8.290 nan 0.000 0.556 476 F N -0.260 119.715 119.950 0.042 0.000 3.100 476 F HA -0.246 4.281 4.527 0.001 0.000 0.283 476 F C 1.315 176.972 175.800 -0.238 0.000 0.900 476 F CA 1.296 59.257 58.000 -0.064 0.000 1.010 476 F CB -1.432 37.557 39.000 -0.018 0.000 1.029 476 F HN 1.116 nan 8.300 nan 0.000 0.637 477 N N -0.410 118.102 118.700 -0.312 0.000 2.708 477 N HA -0.216 4.525 4.740 0.001 0.000 0.251 477 N C -0.471 175.035 175.510 -0.007 0.000 1.123 477 N CA 1.018 53.921 53.050 -0.245 0.000 0.739 477 N CB -0.606 37.614 38.487 -0.445 0.000 1.113 477 N HN 0.388 nan 8.380 nan 0.000 0.561 478 I N 0.767 121.397 120.570 0.100 0.000 2.371 478 I HA 0.165 4.335 4.170 0.001 0.000 0.290 478 I C 0.456 176.626 176.117 0.087 0.000 1.028 478 I CA -0.134 61.202 61.300 0.060 0.000 1.345 478 I CB 1.153 39.138 38.000 -0.025 0.000 1.407 478 I HN 0.061 nan 8.210 nan 0.000 0.501 479 S N 6.929 122.656 115.700 0.045 0.000 2.438 479 S HA 0.450 4.921 4.470 0.001 0.000 0.293 479 S C 0.187 174.832 174.600 0.074 0.000 1.141 479 S CA -0.539 57.699 58.200 0.064 0.000 1.080 479 S CB 0.891 64.100 63.200 0.015 0.000 0.978 479 S HN 0.245 nan 8.310 nan 0.000 0.479 480 I N 5.044 125.700 120.570 0.142 0.000 2.260 480 I HA 0.154 4.325 4.170 0.001 0.000 0.297 480 I C 1.180 177.430 176.117 0.222 0.000 1.143 480 I CA -0.163 61.251 61.300 0.189 0.000 1.271 480 I CB -0.995 37.192 38.000 0.312 0.000 1.461 480 I HN 0.561 nan 8.210 nan 0.000 0.530 481 T N 4.212 118.836 114.554 0.117 0.000 2.912 481 T HA 0.573 4.924 4.350 0.001 0.000 0.280 481 T C -2.590 172.007 174.700 -0.171 0.000 0.989 481 T CA -2.158 59.987 62.100 0.074 0.000 0.995 481 T CB 1.241 70.122 68.868 0.022 0.000 1.077 481 T HN 0.158 nan 8.240 nan 0.000 0.531 482 P HA 0.297 nan 4.420 nan 0.000 0.262 482 P C -0.760 176.043 177.300 -0.828 0.000 1.182 482 P CA 0.174 62.511 63.100 -1.271 0.000 0.761 482 P CB 0.193 31.215 31.700 -1.130 0.000 0.795 483 N N 1.780 119.961 118.700 -0.864 0.000 2.331 483 N HA 0.240 4.980 4.740 0.001 0.000 0.280 483 N C -1.953 173.455 175.510 -0.170 0.000 1.155 483 N CA -0.732 52.107 53.050 -0.351 0.000 0.822 483 N CB 0.767 39.144 38.487 -0.183 0.000 1.619 483 N HN 0.158 nan 8.380 nan 0.000 0.476 484 Y N 1.833 122.048 120.300 -0.142 0.000 2.436 484 Y HA 0.429 4.980 4.550 0.001 0.000 0.336 484 Y C -0.250 175.675 175.900 0.041 0.000 1.049 484 Y CA 0.383 58.464 58.100 -0.032 0.000 1.294 484 Y CB 0.598 39.053 38.460 -0.008 0.000 1.179 484 Y HN 0.399 nan 8.280 nan 0.000 0.520 485 S N 5.496 120.969 115.700 -0.379 0.000 2.756 485 S HA 0.340 4.810 4.470 0.001 0.000 0.303 485 S C 0.268 174.595 174.600 -0.455 0.000 1.135 485 S CA -0.760 57.278 58.200 -0.270 0.000 1.066 485 S CB 0.715 63.842 63.200 -0.121 0.000 1.008 485 S HN 0.638 nan 8.310 nan 0.000 0.482 486 V N 4.929 124.646 119.914 -0.329 0.000 2.358 486 V HA -0.131 3.989 4.120 0.001 0.000 0.246 486 V C 2.675 178.632 176.094 -0.228 0.000 1.047 486 V CA 2.444 64.599 62.300 -0.243 0.000 1.035 486 V CB -0.884 30.999 31.823 0.100 0.000 0.658 486 V HN 0.980 nan 8.190 nan 0.000 0.452 487 S N 0.650 116.228 115.700 -0.204 0.000 2.370 487 S HA -0.252 4.218 4.470 0.001 0.000 0.226 487 S C 2.047 176.417 174.600 -0.383 0.000 1.033 487 S CA 1.415 59.483 58.200 -0.219 0.000 1.011 487 S CB -0.509 62.650 63.200 -0.068 0.000 0.852 487 S HN 0.586 nan 8.310 nan 0.000 0.457 488 R N 0.796 121.137 120.500 -0.266 0.000 2.115 488 R HA 0.223 4.563 4.340 0.001 0.000 0.226 488 R C 2.321 178.528 176.300 -0.156 0.000 1.100 488 R CA 1.055 57.027 56.100 -0.214 0.000 0.980 488 R CB -0.560 29.681 30.300 -0.099 0.000 0.875 488 R HN 0.429 nan 8.270 nan 0.000 0.445 489 L N 0.455 121.536 121.223 -0.236 0.000 2.201 489 L HA -0.108 4.232 4.340 0.001 0.000 0.212 489 L C 2.231 178.961 176.870 -0.233 0.000 1.105 489 L CA 0.962 55.633 54.840 -0.282 0.000 0.775 489 L CB -0.259 41.587 42.059 -0.355 0.000 0.913 489 L HN 0.176 nan 8.230 nan 0.000 0.440 490 I N -0.989 119.466 120.570 -0.191 0.000 2.439 490 I HA -0.290 3.880 4.170 0.001 0.000 0.251 490 I C 2.436 178.522 176.117 -0.051 0.000 1.139 490 I CA 1.081 62.317 61.300 -0.107 0.000 1.438 490 I CB -0.208 37.656 38.000 -0.227 0.000 1.085 490 I HN 0.179 nan 8.210 nan 0.000 0.427 491 F N 1.464 121.284 119.950 -0.216 0.000 2.134 491 F HA -0.170 4.357 4.527 0.001 0.000 0.299 491 F C 2.213 177.989 175.800 -0.041 0.000 1.097 491 F CA 1.474 59.434 58.000 -0.068 0.000 1.264 491 F CB -0.443 38.542 39.000 -0.025 0.000 1.001 491 F HN -0.229 nan 8.300 nan 0.000 0.479 492 V N 0.873 120.689 119.914 -0.164 0.000 2.244 492 V HA -0.263 3.857 4.120 0.001 0.000 0.244 492 V C 2.540 178.497 176.094 -0.227 0.000 1.042 492 V CA 2.305 64.466 62.300 -0.232 0.000 1.006 492 V CB -0.828 30.876 31.823 -0.198 0.000 0.641 492 V HN 0.277 nan 8.190 nan 0.000 0.446 493 R N -0.176 120.170 120.500 -0.257 0.000 2.057 493 R HA -0.100 4.241 4.340 0.001 0.000 0.229 493 R C 2.154 178.110 176.300 -0.573 0.000 1.136 493 R CA 1.791 57.688 56.100 -0.337 0.000 0.952 493 R CB -0.652 29.402 30.300 -0.410 0.000 0.848 493 R HN 0.627 nan 8.270 nan 0.000 0.430 494 H N -1.025 117.792 119.070 -0.422 0.000 2.539 494 H HA 0.244 4.800 4.556 0.001 0.000 0.269 494 H C 0.640 175.532 175.328 -0.728 0.000 0.980 494 H CA 0.791 56.349 56.048 -0.817 0.000 1.152 494 H CB 0.469 29.367 29.762 -1.440 0.000 1.407 494 H HN 0.277 nan 8.280 nan 0.000 0.564 495 M N -1.328 118.074 119.600 -0.330 0.000 2.327 495 M HA 0.223 4.703 4.480 0.001 0.000 0.365 495 M C 0.957 177.094 176.300 -0.272 0.000 0.992 495 M CA 0.090 55.273 55.300 -0.195 0.000 0.985 495 M CB 1.762 34.361 32.600 -0.000 0.000 1.673 495 M HN 0.177 nan 8.290 nan 0.000 0.586 496 G N 1.497 110.130 108.800 -0.279 0.000 2.258 496 G HA2 -0.219 3.741 3.960 0.001 0.000 0.274 496 G HA3 -0.219 3.741 3.960 0.001 0.000 0.274 496 G C 0.328 175.073 174.900 -0.257 0.000 1.021 496 G CA 0.163 45.146 45.100 -0.195 0.000 0.798 496 G HN 0.620 nan 8.290 nan 0.000 0.507 497 G N -1.840 106.603 108.800 -0.596 0.000 2.580 497 G HA2 0.617 4.577 3.960 0.001 0.000 0.278 497 G HA3 0.617 4.577 3.960 0.001 0.000 0.278 497 G C -0.308 174.498 174.900 -0.157 0.000 1.212 497 G CA -0.001 44.669 45.100 -0.718 0.000 0.939 497 G HN 0.927 nan 8.290 nan 0.000 0.513 498 V N 0.677 120.676 119.914 0.143 0.000 2.487 498 V HA 0.396 4.516 4.120 0.001 0.000 0.298 498 V C -0.020 176.290 176.094 0.361 0.000 1.028 498 V CA -0.626 61.812 62.300 0.230 0.000 0.860 498 V CB 1.405 33.361 31.823 0.221 0.000 0.991 498 V HN 0.673 nan 8.190 nan 0.000 0.427 499 L N 4.691 126.065 121.223 0.251 0.000 2.343 499 L HA 0.937 5.278 4.340 0.001 0.000 0.275 499 L C -0.023 176.915 176.870 0.113 0.000 1.056 499 L CA -0.081 54.902 54.840 0.238 0.000 0.804 499 L CB 1.476 43.593 42.059 0.097 0.000 1.203 499 L HN 0.800 nan 8.230 nan 0.000 0.440 500 A N 4.278 127.193 122.820 0.158 0.000 2.517 500 A HA 0.699 5.020 4.320 0.001 0.000 0.297 500 A C -1.757 175.952 177.584 0.209 0.000 1.050 500 A CA -0.450 51.648 52.037 0.100 0.000 0.694 500 A CB 1.940 20.966 19.000 0.044 0.000 1.277 500 A HN 0.429 nan 8.150 nan 0.000 0.400 501 V N 1.638 121.698 119.914 0.243 0.000 2.447 501 V HA 0.654 4.774 4.120 0.001 0.000 0.292 501 V C 0.323 176.618 176.094 0.334 0.000 1.021 501 V CA -0.223 62.316 62.300 0.398 0.000 0.850 501 V CB 1.473 33.620 31.823 0.541 0.000 1.005 501 V HN 1.433 nan 8.190 nan 0.000 0.426 502 A N 3.554 126.591 122.820 0.363 0.000 2.269 502 A HA 0.519 4.840 4.320 0.001 0.000 0.302 502 A C 0.261 178.052 177.584 0.344 0.000 1.266 502 A CA -0.421 51.824 52.037 0.347 0.000 0.894 502 A CB -0.206 19.042 19.000 0.413 0.000 1.147 502 A HN 0.890 nan 8.150 nan 0.000 0.537 503 N N 2.555 121.422 118.700 0.278 0.000 3.254 503 N HA 0.229 4.969 4.740 0.001 0.000 0.308 503 N C 0.366 176.136 175.510 0.432 0.000 1.281 503 N CA -0.158 53.072 53.050 0.301 0.000 1.212 503 N CB -0.178 38.412 38.487 0.172 0.000 1.478 503 N HN 0.798 nan 8.380 nan 0.000 0.548 504 I N -2.421 118.339 120.570 0.318 0.000 3.060 504 I HA 0.160 4.331 4.170 0.001 0.000 0.285 504 I C 0.578 176.687 176.117 -0.013 0.000 1.190 504 I CA -0.768 60.634 61.300 0.170 0.000 1.363 504 I CB 0.734 38.792 38.000 0.096 0.000 1.396 504 I HN 0.100 nan 8.210 nan 0.000 0.607 505 R N 2.055 122.288 120.500 -0.446 0.000 2.756 505 R HA 0.279 4.619 4.340 0.001 0.000 0.264 505 R C 1.087 177.125 176.300 -0.436 0.000 1.026 505 R CA 1.171 56.759 56.100 -0.854 0.000 1.121 505 R CB 0.254 29.995 30.300 -0.933 0.000 0.999 505 R HN 1.083 nan 8.270 nan 0.000 0.449 506 G N 0.504 109.100 108.800 -0.339 0.000 2.313 506 G HA2 -0.214 3.746 3.960 0.001 0.000 0.215 506 G HA3 -0.214 3.746 3.960 0.001 0.000 0.215 506 G C 0.493 175.457 174.900 0.106 0.000 1.023 506 G CA -0.323 44.690 45.100 -0.145 0.000 0.626 506 G HN 0.896 nan 8.290 nan 0.000 0.503 507 G N -0.279 108.626 108.800 0.174 0.000 2.588 507 G HA2 0.550 4.511 3.960 0.001 0.000 0.278 507 G HA3 0.550 4.511 3.960 0.001 0.000 0.278 507 G C 1.058 176.181 174.900 0.372 0.000 1.307 507 G CA 0.286 45.564 45.100 0.297 0.000 1.016 507 G HN 1.318 nan 8.290 nan 0.000 0.503 508 G N -1.455 107.487 108.800 0.236 0.000 3.337 508 G HA2 0.252 4.213 3.960 0.001 0.000 0.246 508 G HA3 0.252 4.213 3.960 0.001 0.000 0.246 508 G C 0.999 175.932 174.900 0.056 0.000 1.131 508 G CA 0.188 45.393 45.100 0.175 0.000 0.773 508 G HN 0.540 nan 8.290 nan 0.000 0.544 509 E N 0.223 120.392 120.200 -0.052 0.000 2.114 509 E HA -0.170 4.181 4.350 0.001 0.000 0.199 509 E C 0.240 176.333 176.600 -0.845 0.000 1.008 509 E CA 1.223 57.322 56.400 -0.500 0.000 0.810 509 E CB -0.238 29.061 29.700 -0.668 0.000 0.739 509 E HN 0.658 nan 8.360 nan 0.000 0.456 510 Y N -0.286 119.743 120.300 -0.452 0.000 2.685 510 Y HA 0.406 4.956 4.550 0.001 0.000 0.339 510 Y C 0.826 176.762 175.900 0.059 0.000 0.961 510 Y CA -0.339 57.591 58.100 -0.283 0.000 1.330 510 Y CB 0.717 38.823 38.460 -0.590 0.000 1.269 510 Y HN 0.147 nan 8.280 nan 0.000 0.566 511 G N 0.785 109.704 108.800 0.199 0.000 2.698 511 G HA2 -0.382 3.578 3.960 0.001 0.000 0.233 511 G HA3 -0.382 3.578 3.960 0.001 0.000 0.233 511 G C 0.571 175.655 174.900 0.307 0.000 1.352 511 G CA 0.278 45.544 45.100 0.277 0.000 0.879 511 G HN 0.384 nan 8.290 nan 0.000 0.567 512 E N -0.384 119.957 120.200 0.236 0.000 2.268 512 E HA -0.046 4.304 4.350 0.001 0.000 0.195 512 E C 2.749 179.460 176.600 0.186 0.000 0.995 512 E CA 2.567 59.091 56.400 0.207 0.000 0.836 512 E CB -0.452 29.291 29.700 0.072 0.000 0.763 512 E HN 0.911 nan 8.360 nan 0.000 0.491 513 T N -2.532 112.132 114.554 0.184 0.000 2.904 513 T HA -0.146 4.204 4.350 0.001 0.000 0.267 513 T C 1.818 176.648 174.700 0.217 0.000 1.059 513 T CA 0.826 63.017 62.100 0.151 0.000 1.137 513 T CB -0.775 68.181 68.868 0.146 0.000 0.879 513 T HN 0.389 nan 8.240 nan 0.000 0.467 514 W N 1.638 122.993 121.300 0.091 0.000 2.381 514 W HA -0.122 4.539 4.660 0.001 0.000 0.301 514 W C 2.346 178.907 176.519 0.070 0.000 1.205 514 W CA 1.297 58.701 57.345 0.098 0.000 1.285 514 W CB -0.399 29.166 29.460 0.175 0.000 1.133 514 W HN 0.502 nan 8.180 nan 0.000 0.521 515 H N 0.720 119.879 119.070 0.147 0.000 2.270 515 H HA -0.170 4.387 4.556 0.001 0.000 0.299 515 H C 2.109 177.358 175.328 -0.130 0.000 1.077 515 H CA 1.898 57.942 56.048 -0.007 0.000 1.294 515 H CB -0.169 29.610 29.762 0.029 0.000 1.371 515 H HN 0.019 nan 8.280 nan 0.000 0.491 516 K N -0.082 120.167 120.400 -0.251 0.000 2.281 516 K HA -0.082 4.239 4.320 0.001 0.000 0.203 516 K C 2.145 178.554 176.600 -0.319 0.000 1.046 516 K CA 0.725 56.799 56.287 -0.355 0.000 0.938 516 K CB -0.107 32.268 32.500 -0.208 0.000 0.737 516 K HN 0.400 nan 8.250 nan 0.000 0.458 517 G N 0.340 108.975 108.800 -0.275 0.000 2.679 517 G HA2 -0.101 3.860 3.960 0.001 0.000 0.212 517 G HA3 -0.101 3.860 3.960 0.001 0.000 0.212 517 G C 0.839 175.486 174.900 -0.422 0.000 1.137 517 G CA 0.627 45.522 45.100 -0.341 0.000 0.787 517 G HN 0.378 nan 8.290 nan 0.000 0.534 518 G N 0.141 108.684 108.800 -0.429 0.000 4.379 518 G HA2 0.502 4.462 3.960 0.001 0.000 0.290 518 G HA3 0.502 4.462 3.960 0.001 0.000 0.290 518 G C 0.009 174.627 174.900 -0.470 0.000 1.065 518 G CA -0.262 44.562 45.100 -0.460 0.000 0.833 518 G HN 0.488 nan 8.290 nan 0.000 0.512 519 I N -3.397 116.888 120.570 -0.475 0.000 3.145 519 I HA 0.723 4.893 4.170 0.001 0.000 0.313 519 I C 0.980 176.812 176.117 -0.475 0.000 1.122 519 I CA -1.271 59.749 61.300 -0.467 0.000 0.987 519 I CB 1.488 39.164 38.000 -0.541 0.000 1.236 519 I HN 0.074 nan 8.210 nan 0.000 0.453 520 L N 0.823 121.801 121.223 -0.409 0.000 5.352 520 L HA -0.407 3.934 4.340 0.001 0.000 0.053 520 L C 1.999 178.126 176.870 -1.238 0.000 2.872 520 L CA 1.485 55.938 54.840 -0.645 0.000 1.575 520 L CB -1.833 39.862 42.059 -0.606 0.000 2.871 520 L HN 0.961 nan 8.230 nan 0.000 0.934 521 A N -0.313 121.375 122.820 -1.888 0.000 2.070 521 A HA -0.088 4.232 4.320 0.001 0.000 0.220 521 A C 1.369 178.462 177.584 -0.818 0.000 1.159 521 A CA 2.013 52.972 52.037 -1.797 0.000 0.656 521 A CB -0.606 17.731 19.000 -1.106 0.000 0.800 521 A HN 0.664 nan 8.150 nan 0.000 0.453 522 N N -0.841 117.480 118.700 -0.630 0.000 2.238 522 N HA 0.029 4.769 4.740 0.001 0.000 0.222 522 N C 1.011 176.241 175.510 -0.467 0.000 1.133 522 N CA 0.125 52.906 53.050 -0.448 0.000 0.854 522 N CB 0.662 38.921 38.487 -0.380 0.000 1.041 522 N HN 0.347 nan 8.380 nan 0.000 0.510 523 K N 1.732 121.825 120.400 -0.511 0.000 2.147 523 K HA -0.162 4.159 4.320 0.001 0.000 0.205 523 K C 1.948 178.058 176.600 -0.817 0.000 1.049 523 K CA 1.256 57.158 56.287 -0.641 0.000 0.936 523 K CB -0.023 32.097 32.500 -0.633 0.000 0.722 523 K HN -0.032 nan 8.250 nan 0.000 0.446 524 Q N 0.714 120.214 119.800 -0.500 0.000 2.234 524 Q HA -0.126 4.215 4.340 0.001 0.000 0.206 524 Q C 1.351 177.167 176.000 -0.306 0.000 0.980 524 Q CA 1.684 57.340 55.803 -0.245 0.000 0.869 524 Q CB -0.409 28.306 28.738 -0.038 0.000 0.912 524 Q HN 0.366 nan 8.270 nan 0.000 0.436 525 N N -0.755 117.726 118.700 -0.364 0.000 2.137 525 N HA -0.162 4.578 4.740 0.001 0.000 0.190 525 N C 1.533 176.832 175.510 -0.351 0.000 1.017 525 N CA 1.510 54.373 53.050 -0.312 0.000 0.859 525 N CB -0.730 37.549 38.487 -0.347 0.000 1.002 525 N HN 0.363 nan 8.380 nan 0.000 0.428 526 C N 0.045 119.002 119.300 -0.572 0.000 2.413 526 C HA -0.094 4.366 4.460 0.001 0.000 0.277 526 C C 2.463 177.233 174.990 -0.368 0.000 1.228 526 C CA 0.382 59.054 59.018 -0.577 0.000 1.731 526 C CB -1.595 25.605 27.740 -0.900 0.000 2.042 526 C HN 0.392 nan 8.230 nan 0.000 0.468 527 F N 1.429 121.296 119.950 -0.138 0.000 2.102 527 F HA -0.159 4.369 4.527 0.001 0.000 0.298 527 F C 2.329 178.160 175.800 0.051 0.000 1.105 527 F CA 1.365 59.340 58.000 -0.043 0.000 1.239 527 F CB -0.684 38.262 39.000 -0.090 0.000 0.991 527 F HN 0.204 nan 8.300 nan 0.000 0.474 528 D N 0.505 120.990 120.400 0.142 0.000 2.097 528 D HA -0.160 4.481 4.640 0.001 0.000 0.195 528 D C 1.774 178.157 176.300 0.139 0.000 0.989 528 D CA 1.482 55.550 54.000 0.114 0.000 0.827 528 D CB -0.600 40.223 40.800 0.038 0.000 0.966 528 D HN 0.218 nan 8.370 nan 0.000 0.456 529 D N -0.186 120.274 120.400 0.101 0.000 2.104 529 D HA -0.155 4.486 4.640 0.001 0.000 0.194 529 D C 1.861 178.368 176.300 0.344 0.000 0.994 529 D CA 0.513 54.627 54.000 0.191 0.000 0.830 529 D CB -0.525 40.324 40.800 0.081 0.000 0.959 529 D HN 0.154 nan 8.370 nan 0.000 0.452 530 F N 1.415 121.433 119.950 0.113 0.000 2.146 530 F HA -0.125 4.403 4.527 0.001 0.000 0.298 530 F C 2.409 178.291 175.800 0.138 0.000 1.096 530 F CA 1.283 59.350 58.000 0.113 0.000 1.275 530 F CB -0.241 38.798 39.000 0.066 0.000 1.008 530 F HN -0.065 nan 8.300 nan 0.000 0.480 531 Q N -1.277 118.675 119.800 0.254 0.000 2.124 531 Q HA -0.217 4.123 4.340 0.001 0.000 0.202 531 Q C 2.417 178.439 176.000 0.037 0.000 0.977 531 Q CA 1.864 57.765 55.803 0.162 0.000 0.850 531 Q CB -0.553 28.297 28.738 0.188 0.000 0.901 531 Q HN 0.412 nan 8.270 nan 0.000 0.429 532 C N 0.074 119.427 119.300 0.088 0.000 2.435 532 C HA -0.039 4.421 4.460 0.001 0.000 0.279 532 C C 2.782 177.664 174.990 -0.180 0.000 1.321 532 C CA 0.551 59.613 59.018 0.074 0.000 1.752 532 C CB -1.101 26.801 27.740 0.270 0.000 1.959 532 C HN 0.605 nan 8.230 nan 0.000 0.500 533 A N 0.684 123.288 122.820 -0.360 0.000 1.898 533 A HA 0.082 4.402 4.320 0.001 0.000 0.216 533 A C 2.372 179.731 177.584 -0.375 0.000 1.181 533 A CA 1.965 53.554 52.037 -0.747 0.000 0.620 533 A CB -0.830 17.877 19.000 -0.488 0.000 0.819 533 A HN 0.543 nan 8.150 nan 0.000 0.442 534 A N 0.024 122.677 122.820 -0.277 0.000 1.877 534 A HA -0.179 4.142 4.320 0.001 0.000 0.216 534 A C 1.894 179.398 177.584 -0.133 0.000 1.186 534 A CA 1.639 53.568 52.037 -0.180 0.000 0.620 534 A CB -0.592 18.333 19.000 -0.125 0.000 0.822 534 A HN 0.632 nan 8.150 nan 0.000 0.443 535 E N -1.702 118.427 120.200 -0.119 0.000 2.153 535 E HA -0.222 4.128 4.350 0.001 0.000 0.194 535 E C 1.825 178.400 176.600 -0.043 0.000 0.988 535 E CA 1.431 57.784 56.400 -0.078 0.000 0.811 535 E CB -0.326 29.349 29.700 -0.043 0.000 0.746 535 E HN 0.809 nan 8.360 nan 0.000 0.466 536 Y N 1.529 121.730 120.300 -0.165 0.000 2.114 536 Y HA -0.202 4.349 4.550 0.001 0.000 0.284 536 Y C 1.972 177.856 175.900 -0.026 0.000 1.143 536 Y CA 1.457 59.487 58.100 -0.117 0.000 1.135 536 Y CB -0.189 38.107 38.460 -0.274 0.000 0.980 536 Y HN -0.076 nan 8.280 nan 0.000 0.499 537 L N -0.301 120.942 121.223 0.034 0.000 2.127 537 L HA -0.242 4.098 4.340 0.001 0.000 0.211 537 L C 2.303 179.204 176.870 0.052 0.000 1.089 537 L CA 1.406 56.294 54.840 0.081 0.000 0.757 537 L CB -0.532 41.558 42.059 0.053 0.000 0.899 537 L HN 0.332 nan 8.230 nan 0.000 0.434 538 I N -0.500 120.053 120.570 -0.030 0.000 2.277 538 I HA -0.228 3.942 4.170 0.001 0.000 0.243 538 I C 2.696 178.765 176.117 -0.079 0.000 1.094 538 I CA 0.977 62.251 61.300 -0.044 0.000 1.393 538 I CB -0.252 37.707 38.000 -0.068 0.000 1.078 538 I HN 0.187 nan 8.210 nan 0.000 0.417 539 K N 1.011 121.343 120.400 -0.114 0.000 2.057 539 K HA -0.188 4.133 4.320 0.001 0.000 0.207 539 K C 1.605 178.101 176.600 -0.173 0.000 1.049 539 K CA 1.395 57.605 56.287 -0.129 0.000 0.931 539 K CB 0.101 32.528 32.500 -0.121 0.000 0.714 539 K HN 0.157 nan 8.250 nan 0.000 0.440 540 E N -0.499 119.542 120.200 -0.265 0.000 2.502 540 E HA 0.005 4.356 4.350 0.001 0.000 0.194 540 E C 0.806 177.240 176.600 -0.278 0.000 1.062 540 E CA 0.758 56.987 56.400 -0.285 0.000 0.867 540 E CB 0.392 29.850 29.700 -0.403 0.000 0.888 540 E HN 0.613 nan 8.360 nan 0.000 0.510 541 G N 0.858 109.550 108.800 -0.180 0.000 2.147 541 G HA2 -0.341 3.619 3.960 0.001 0.000 0.244 541 G HA3 -0.341 3.619 3.960 0.001 0.000 0.244 541 G C 0.629 175.429 174.900 -0.167 0.000 1.005 541 G CA 0.506 45.504 45.100 -0.169 0.000 0.713 541 G HN 0.362 nan 8.290 nan 0.000 0.515 542 Y N -0.337 119.942 120.300 -0.036 0.000 2.337 542 Y HA 0.369 4.920 4.550 0.001 0.000 0.293 542 Y C 2.029 177.986 175.900 0.095 0.000 1.123 542 Y CA 1.875 59.989 58.100 0.023 0.000 1.201 542 Y CB 0.544 39.005 38.460 0.001 0.000 1.011 542 Y HN 0.434 nan 8.280 nan 0.000 0.545 543 T N -2.329 112.336 114.554 0.184 0.000 2.653 543 T HA 0.547 4.897 4.350 0.001 0.000 0.306 543 T C -1.359 173.371 174.700 0.050 0.000 1.426 543 T CA -0.680 61.499 62.100 0.131 0.000 1.008 543 T CB 1.023 69.994 68.868 0.171 0.000 1.692 543 T HN -0.147 nan 8.240 nan 0.000 0.483 544 S N 1.281 117.003 115.700 0.038 0.000 2.595 544 S HA 0.542 5.013 4.470 0.001 0.000 0.281 544 S C -1.997 172.604 174.600 0.002 0.000 1.117 544 S CA -1.111 57.089 58.200 -0.000 0.000 0.873 544 S CB 2.242 65.435 63.200 -0.011 0.000 1.108 544 S HN 0.647 nan 8.310 nan 0.000 0.477 545 P HA -0.217 nan 4.420 nan 0.000 0.216 545 P C 0.948 178.248 177.300 -0.000 0.000 1.150 545 P CA 1.437 64.501 63.100 -0.060 0.000 0.843 545 P CB -0.053 31.580 31.700 -0.112 0.000 0.787 546 K N 0.054 120.460 120.400 0.010 0.000 2.439 546 K HA -0.007 4.313 4.320 0.001 0.000 0.197 546 K C 1.731 178.369 176.600 0.063 0.000 1.041 546 K CA 0.672 56.980 56.287 0.034 0.000 0.970 546 K CB -0.166 32.346 32.500 0.021 0.000 0.773 546 K HN 0.090 nan 8.250 nan 0.000 0.479 547 R N 0.426 120.971 120.500 0.076 0.000 2.437 547 R HA 0.216 4.557 4.340 0.001 0.000 0.257 547 R C -0.332 176.070 176.300 0.171 0.000 0.927 547 R CA -0.445 55.727 56.100 0.120 0.000 1.078 547 R CB 0.306 30.670 30.300 0.107 0.000 1.161 547 R HN 0.067 nan 8.270 nan 0.000 0.529 548 L N 1.280 122.590 121.223 0.145 0.000 2.292 548 L HA 0.312 4.653 4.340 0.001 0.000 0.284 548 L C -0.703 176.277 176.870 0.183 0.000 1.065 548 L CA 0.506 55.449 54.840 0.172 0.000 0.806 548 L CB 1.695 43.835 42.059 0.136 0.000 1.175 548 L HN -0.125 nan 8.230 nan 0.000 0.431 549 T N 6.659 121.301 114.554 0.147 0.000 2.841 549 T HA 0.628 4.978 4.350 0.001 0.000 0.283 549 T C -0.389 174.231 174.700 -0.134 0.000 1.000 549 T CA -0.278 61.851 62.100 0.047 0.000 0.977 549 T CB 1.018 69.925 68.868 0.065 0.000 0.979 549 T HN 0.581 nan 8.240 nan 0.000 0.446 550 I N 1.177 121.639 120.570 -0.180 0.000 2.530 550 I HA 0.694 4.864 4.170 0.001 0.000 0.297 550 I C -0.534 175.405 176.117 -0.297 0.000 1.011 550 I CA -0.776 60.379 61.300 -0.242 0.000 1.107 550 I CB 1.964 39.844 38.000 -0.200 0.000 1.285 550 I HN 0.487 nan 8.210 nan 0.000 0.436 551 N N 3.428 121.923 118.700 -0.342 0.000 2.242 551 N HA 0.779 5.520 4.740 0.001 0.000 0.292 551 N C -1.231 174.161 175.510 -0.196 0.000 1.125 551 N CA -0.420 52.490 53.050 -0.233 0.000 0.783 551 N CB 2.826 41.153 38.487 -0.268 0.000 1.558 551 N HN 1.075 nan 8.380 nan 0.000 0.472 552 G N -0.063 108.642 108.800 -0.159 0.000 2.703 552 G HA2 0.583 4.543 3.960 0.001 0.000 0.294 552 G HA3 0.583 4.543 3.960 0.001 0.000 0.294 552 G C -1.476 173.381 174.900 -0.071 0.000 1.451 552 G CA -0.640 44.288 45.100 -0.287 0.000 0.869 552 G HN 0.591 nan 8.290 nan 0.000 0.516 553 G N -0.616 108.194 108.800 0.016 0.000 2.542 553 G HA2 0.666 4.627 3.960 0.001 0.000 0.311 553 G HA3 0.666 4.627 3.960 0.001 0.000 0.311 553 G C 0.376 175.307 174.900 0.052 0.000 1.298 553 G CA 0.963 46.090 45.100 0.045 0.000 0.973 553 G HN 1.942 nan 8.290 nan 0.000 0.487 554 S N 0.821 116.516 115.700 -0.008 0.000 4.151 554 S HA -0.367 4.104 4.470 0.001 0.000 0.603 554 S C 2.036 176.530 174.600 -0.177 0.000 1.878 554 S CA 1.683 59.880 58.200 -0.005 0.000 4.246 554 S CB -1.556 61.745 63.200 0.169 0.000 0.211 554 S HN 1.100 nan 8.310 nan 0.000 0.469 555 N N 1.838 120.353 118.700 -0.308 0.000 2.309 555 N HA -0.053 4.688 4.740 0.001 0.000 0.182 555 N C 1.665 176.881 175.510 -0.491 0.000 1.018 555 N CA 1.662 54.435 53.050 -0.460 0.000 0.876 555 N CB -0.844 37.213 38.487 -0.717 0.000 0.972 555 N HN 0.639 nan 8.380 nan 0.000 0.434 556 G N -0.319 108.219 108.800 -0.435 0.000 2.551 556 G HA2 -0.003 3.958 3.960 0.001 0.000 0.216 556 G HA3 -0.003 3.958 3.960 0.001 0.000 0.216 556 G C 1.433 176.163 174.900 -0.284 0.000 1.137 556 G CA 0.586 45.470 45.100 -0.360 0.000 0.798 556 G HN 0.407 nan 8.290 nan 0.000 0.536 557 G N 1.146 109.827 108.800 -0.199 0.000 2.394 557 G HA2 -0.088 3.872 3.960 0.001 0.000 0.215 557 G HA3 -0.088 3.872 3.960 0.001 0.000 0.215 557 G C 1.707 176.493 174.900 -0.189 0.000 1.165 557 G CA 1.003 46.008 45.100 -0.158 0.000 0.784 557 G HN 0.430 nan 8.290 nan 0.000 0.535 558 L N 0.347 121.443 121.223 -0.211 0.000 2.046 558 L HA 0.074 4.415 4.340 0.001 0.000 0.208 558 L C 2.484 179.274 176.870 -0.133 0.000 1.077 558 L CA 1.713 56.433 54.840 -0.199 0.000 0.747 558 L CB -0.655 41.295 42.059 -0.181 0.000 0.896 558 L HN 0.168 nan 8.230 nan 0.000 0.432 559 L N -0.211 120.937 121.223 -0.125 0.000 1.971 559 L HA -0.179 4.161 4.340 0.001 0.000 0.215 559 L C 2.576 179.346 176.870 -0.166 0.000 1.072 559 L CA 2.549 57.339 54.840 -0.083 0.000 0.758 559 L CB -0.932 40.893 42.059 -0.389 0.000 0.889 559 L HN 0.357 nan 8.230 nan 0.000 0.433 560 V N -2.436 117.328 119.914 -0.249 0.000 2.515 560 V HA -0.072 4.049 4.120 0.001 0.000 0.250 560 V C 2.492 178.484 176.094 -0.170 0.000 1.058 560 V CA 1.379 63.550 62.300 -0.216 0.000 1.064 560 V CB -1.876 29.821 31.823 -0.209 0.000 0.675 560 V HN 0.486 nan 8.190 nan 0.000 0.461 561 A N 0.835 123.574 122.820 -0.134 0.000 1.873 561 A HA -0.128 4.193 4.320 0.001 0.000 0.215 561 A C 2.364 179.888 177.584 -0.101 0.000 1.186 561 A CA 2.516 54.523 52.037 -0.050 0.000 0.616 561 A CB -1.337 17.546 19.000 -0.194 0.000 0.823 561 A HN 0.531 nan 8.150 nan 0.000 0.442 562 T N -0.729 113.673 114.554 -0.253 0.000 2.746 562 T HA -0.190 4.161 4.350 0.001 0.000 0.267 562 T C 1.853 176.396 174.700 -0.260 0.000 1.039 562 T CA 1.630 63.500 62.100 -0.384 0.000 1.142 562 T CB -0.659 67.625 68.868 -0.973 0.000 0.866 562 T HN 0.551 nan 8.240 nan 0.000 0.444 563 C N 1.521 120.715 119.300 -0.177 0.000 2.419 563 C HA 0.143 4.603 4.460 0.001 0.000 0.281 563 C C 3.128 178.135 174.990 0.028 0.000 1.336 563 C CA 0.178 59.186 59.018 -0.017 0.000 1.770 563 C CB -1.449 26.305 27.740 0.024 0.000 1.929 563 C HN 0.650 nan 8.230 nan 0.000 0.509 564 A N 1.124 123.893 122.820 -0.085 0.000 1.929 564 A HA -0.127 4.193 4.320 0.001 0.000 0.216 564 A C 1.956 179.411 177.584 -0.215 0.000 1.176 564 A CA 1.597 53.584 52.037 -0.084 0.000 0.628 564 A CB -0.448 18.534 19.000 -0.029 0.000 0.816 564 A HN 0.609 nan 8.150 nan 0.000 0.444 565 N N -0.076 118.581 118.700 -0.072 0.000 2.171 565 N HA -0.115 4.625 4.740 0.001 0.000 0.184 565 N C 1.928 177.416 175.510 -0.037 0.000 1.021 565 N CA 1.533 54.576 53.050 -0.011 0.000 0.854 565 N CB -0.394 38.160 38.487 0.111 0.000 0.994 565 N HN 0.662 nan 8.380 nan 0.000 0.426 566 Q N -0.279 119.507 119.800 -0.025 0.000 2.096 566 Q HA 0.107 4.447 4.340 0.001 0.000 0.197 566 Q C 0.097 176.108 176.000 0.018 0.000 0.964 566 Q CA 0.849 56.655 55.803 0.005 0.000 0.838 566 Q CB 0.397 29.139 28.738 0.006 0.000 0.906 566 Q HN 0.052 nan 8.270 nan 0.000 0.444 567 R N 0.525 121.061 120.500 0.059 0.000 2.681 567 R HA 0.186 4.527 4.340 0.001 0.000 0.277 567 R C -2.200 174.111 176.300 0.018 0.000 1.563 567 R CA -1.536 54.580 56.100 0.026 0.000 1.673 567 R CB 0.740 31.051 30.300 0.018 0.000 1.258 567 R HN 0.141 nan 8.270 nan 0.000 0.650 568 P HA -0.156 nan 4.420 nan 0.000 0.222 568 P C 0.559 177.817 177.300 -0.070 0.000 1.147 568 P CA 1.121 64.142 63.100 -0.131 0.000 0.790 568 P CB 0.324 31.806 31.700 -0.364 0.000 0.780 569 D N -0.699 119.635 120.400 -0.109 0.000 2.347 569 D HA -0.084 4.556 4.640 0.001 0.000 0.215 569 D C 1.708 177.871 176.300 -0.227 0.000 0.976 569 D CA 0.261 54.189 54.000 -0.120 0.000 0.884 569 D CB -0.577 40.167 40.800 -0.093 0.000 0.915 569 D HN 0.116 nan 8.370 nan 0.000 0.526 570 L N -0.638 120.312 121.223 -0.455 0.000 2.477 570 L HA 0.279 4.619 4.340 0.001 0.000 0.220 570 L C -0.232 176.085 176.870 -0.922 0.000 1.106 570 L CA 0.475 54.831 54.840 -0.806 0.000 0.851 570 L CB -0.105 41.231 42.059 -1.205 0.000 0.994 570 L HN -0.148 nan 8.230 nan 0.000 0.462 571 F N -2.543 117.385 119.950 -0.037 0.000 2.546 571 F HA 0.563 5.090 4.527 0.001 0.000 0.320 571 F C 1.300 177.101 175.800 0.002 0.000 1.076 571 F CA -0.501 57.487 58.000 -0.020 0.000 0.928 571 F CB 1.251 40.238 39.000 -0.021 0.000 1.189 571 F HN -0.272 nan 8.300 nan 0.000 0.465 572 G N -0.460 108.460 108.800 0.199 0.000 2.545 572 G HA2 0.127 4.088 3.960 0.001 0.000 0.212 572 G HA3 0.127 4.088 3.960 0.001 0.000 0.212 572 G C -0.486 174.499 174.900 0.142 0.000 1.144 572 G CA 0.351 45.531 45.100 0.133 0.000 0.813 572 G HN 0.651 nan 8.290 nan 0.000 0.531 573 C N 0.050 119.449 119.300 0.165 0.000 2.880 573 C HA 0.718 5.178 4.460 0.001 0.000 0.320 573 C C -1.303 173.764 174.990 0.129 0.000 1.176 573 C CA -0.655 58.461 59.018 0.164 0.000 1.390 573 C CB 1.107 28.929 27.740 0.138 0.000 1.846 573 C HN 0.107 nan 8.230 nan 0.000 0.478 574 V N 6.382 126.380 119.914 0.139 0.000 2.577 574 V HA 0.551 4.671 4.120 0.001 0.000 0.303 574 V C -0.489 175.631 176.094 0.042 0.000 1.042 574 V CA -0.298 62.012 62.300 0.017 0.000 0.872 574 V CB 1.775 33.579 31.823 -0.031 0.000 0.998 574 V HN 0.749 nan 8.190 nan 0.000 0.423 575 I N 4.088 124.642 120.570 -0.027 0.000 2.420 575 I HA 0.647 4.817 4.170 0.001 0.000 0.282 575 I C 0.224 176.308 176.117 -0.054 0.000 1.019 575 I CA -0.498 60.775 61.300 -0.045 0.000 1.130 575 I CB 1.696 39.681 38.000 -0.025 0.000 1.262 575 I HN 0.689 nan 8.210 nan 0.000 0.454 576 A N 6.750 129.544 122.820 -0.044 0.000 2.256 576 A HA 0.569 4.890 4.320 0.001 0.000 0.317 576 A C -0.364 177.206 177.584 -0.023 0.000 1.318 576 A CA -0.454 51.562 52.037 -0.035 0.000 0.894 576 A CB 0.474 19.473 19.000 -0.002 0.000 1.165 576 A HN 0.708 nan 8.150 nan 0.000 0.525 577 Q N 1.345 121.132 119.800 -0.021 0.000 2.241 577 Q HA 0.422 4.763 4.340 0.001 0.000 0.254 577 Q C 0.601 176.584 176.000 -0.027 0.000 0.917 577 Q CA -0.361 55.432 55.803 -0.015 0.000 0.919 577 Q CB 2.036 30.775 28.738 0.002 0.000 1.237 577 Q HN 1.437 nan 8.270 nan 0.000 0.434 578 V N -0.094 119.812 119.914 -0.013 0.000 5.342 578 V HA -0.247 3.873 4.120 0.001 0.000 0.236 578 V C 0.271 176.382 176.094 0.027 0.000 0.696 578 V CA 0.921 63.236 62.300 0.025 0.000 0.609 578 V CB -2.303 29.509 31.823 -0.020 0.000 0.315 578 V HN 0.817 nan 8.190 nan 0.000 0.632 579 G N -0.003 108.785 108.800 -0.020 0.000 2.476 579 G HA2 0.573 4.533 3.960 0.001 0.000 0.286 579 G HA3 0.573 4.533 3.960 0.001 0.000 0.286 579 G C -0.311 174.479 174.900 -0.184 0.000 1.177 579 G CA -0.328 44.711 45.100 -0.101 0.000 0.870 579 G HN 1.150 nan 8.290 nan 0.000 0.528 580 V N 3.158 122.891 119.914 -0.303 0.000 2.389 580 V HA 0.107 4.227 4.120 0.001 0.000 0.264 580 V C 0.607 176.492 176.094 -0.348 0.000 1.049 580 V CA -0.294 61.710 62.300 -0.493 0.000 0.932 580 V CB 1.079 32.648 31.823 -0.423 0.000 1.011 580 V HN 0.686 nan 8.190 nan 0.000 0.475 581 M N 1.257 120.733 119.600 -0.206 0.000 2.730 581 M HA 0.255 4.735 4.480 0.001 0.000 0.258 581 M C 0.711 176.979 176.300 -0.053 0.000 1.279 581 M CA 0.473 55.637 55.300 -0.226 0.000 1.183 581 M CB -0.303 32.112 32.600 -0.308 0.000 1.291 581 M HN 0.558 nan 8.290 nan 0.000 0.518 582 D N 1.741 122.337 120.400 0.327 0.000 2.468 582 D HA 0.186 4.827 4.640 0.001 0.000 0.218 582 D C 0.768 177.310 176.300 0.403 0.000 1.155 582 D CA 0.003 54.179 54.000 0.294 0.000 0.924 582 D CB 0.774 41.723 40.800 0.249 0.000 1.029 582 D HN -0.034 nan 8.370 nan 0.000 0.515 583 M N 2.928 122.670 119.600 0.237 0.000 2.557 583 M HA 0.005 4.486 4.480 0.001 0.000 0.259 583 M C 1.518 178.058 176.300 0.401 0.000 1.086 583 M CA 0.506 55.974 55.300 0.279 0.000 1.096 583 M CB -0.182 32.333 32.600 -0.142 0.000 1.424 583 M HN 0.462 nan 8.290 nan 0.000 0.488 584 L N -0.888 120.487 121.223 0.254 0.000 2.477 584 L HA -0.045 4.295 4.340 0.001 0.000 0.220 584 L C 1.636 178.663 176.870 0.262 0.000 1.106 584 L CA 0.661 55.597 54.840 0.161 0.000 0.851 584 L CB -0.125 41.869 42.059 -0.108 0.000 0.994 584 L HN 0.267 nan 8.230 nan 0.000 0.462 585 K N -0.534 120.005 120.400 0.231 0.000 2.438 585 K HA 0.101 4.421 4.320 0.001 0.000 0.206 585 K C 1.624 178.156 176.600 -0.115 0.000 1.081 585 K CA -0.037 56.239 56.287 -0.020 0.000 1.053 585 K CB 0.416 32.977 32.500 0.101 0.000 0.908 585 K HN 0.086 nan 8.250 nan 0.000 0.556 586 F N 2.383 122.520 119.950 0.312 0.000 2.147 586 F HA -0.285 4.243 4.527 0.001 0.000 0.301 586 F C 2.167 178.049 175.800 0.137 0.000 1.084 586 F CA 1.606 59.875 58.000 0.449 0.000 1.268 586 F CB -1.033 38.307 39.000 0.567 0.000 1.009 586 F HN 0.141 nan 8.300 nan 0.000 0.486 587 H N 0.698 119.280 119.070 -0.812 0.000 2.521 587 H HA 0.042 4.599 4.556 0.001 0.000 0.286 587 H C 1.304 176.414 175.328 -0.362 0.000 1.034 587 H CA 1.278 56.990 56.048 -0.560 0.000 1.278 587 H CB -0.670 28.704 29.762 -0.646 0.000 1.386 587 H HN 0.428 nan 8.280 nan 0.000 0.567 588 K N 0.409 120.221 120.400 -0.980 0.000 2.217 588 K HA 0.012 4.332 4.320 0.001 0.000 0.202 588 K C -0.122 176.014 176.600 -0.773 0.000 1.051 588 K CA 0.582 56.306 56.287 -0.937 0.000 0.952 588 K CB 0.101 31.838 32.500 -1.272 0.000 0.736 588 K HN 0.297 nan 8.250 nan 0.000 0.453 589 Y N 0.991 121.216 120.300 -0.124 0.000 2.419 589 Y HA 0.027 4.578 4.550 0.001 0.000 0.328 589 Y C 1.720 177.567 175.900 -0.090 0.000 1.162 589 Y CA -0.641 57.419 58.100 -0.067 0.000 1.174 589 Y CB 1.034 39.480 38.460 -0.024 0.000 1.228 589 Y HN 0.164 nan 8.280 nan 0.000 0.473 590 T N -0.327 114.291 114.554 0.107 0.000 4.458 590 T HA -0.418 3.932 4.350 0.001 0.000 0.148 590 T C 0.862 175.499 174.700 -0.104 0.000 1.722 590 T CA 1.985 64.092 62.100 0.012 0.000 0.995 590 T CB -1.057 67.832 68.868 0.034 0.000 1.125 590 T HN 0.614 nan 8.240 nan 0.000 0.424 591 I N 2.594 123.022 120.570 -0.236 0.000 3.928 591 I HA 0.480 4.651 4.170 0.001 0.000 0.335 591 I C 2.249 177.715 176.117 -1.085 0.000 1.325 591 I CA 0.592 61.547 61.300 -0.574 0.000 1.107 591 I CB -0.607 37.148 38.000 -0.408 0.000 1.014 591 I HN 0.737 nan 8.210 nan 0.000 0.400 592 G N 1.100 109.288 108.800 -1.020 0.000 2.507 592 G HA2 -0.331 3.629 3.960 0.001 0.000 0.221 592 G HA3 -0.331 3.629 3.960 0.001 0.000 0.221 592 G C 1.603 176.070 174.900 -0.722 0.000 1.119 592 G CA 1.380 45.652 45.100 -1.380 0.000 0.751 592 G HN 0.680 nan 8.290 nan 0.000 0.574 593 H N -0.037 118.830 119.070 -0.338 0.000 2.457 593 H HA 0.117 4.673 4.556 0.001 0.000 0.297 593 H C 2.476 177.765 175.328 -0.067 0.000 1.092 593 H CA 1.091 57.068 56.048 -0.118 0.000 1.309 593 H CB -0.551 29.155 29.762 -0.093 0.000 1.382 593 H HN 0.347 nan 8.280 nan 0.000 0.535 594 A N 1.312 123.872 122.820 -0.434 0.000 2.119 594 A HA -0.087 4.233 4.320 0.001 0.000 0.217 594 A C 1.501 179.182 177.584 0.163 0.000 1.153 594 A CA 0.583 52.539 52.037 -0.135 0.000 0.692 594 A CB -0.786 18.050 19.000 -0.273 0.000 0.799 594 A HN 0.512 nan 8.150 nan 0.000 0.458 595 W N 0.606 122.015 121.300 0.181 0.000 3.047 595 W HA 0.060 4.721 4.660 0.001 0.000 0.250 595 W C 1.998 178.616 176.519 0.166 0.000 1.314 595 W CA 0.879 58.350 57.345 0.211 0.000 1.540 595 W CB -1.752 27.794 29.460 0.143 0.000 1.127 595 W HN 0.518 nan 8.180 nan 0.000 0.679 596 T N -2.037 112.825 114.554 0.515 0.000 2.977 596 T HA -0.199 4.151 4.350 0.001 0.000 0.271 596 T C 1.703 176.538 174.700 0.225 0.000 1.105 596 T CA 1.959 64.338 62.100 0.464 0.000 1.116 596 T CB -0.784 68.298 68.868 0.357 0.000 0.878 596 T HN 0.154 nan 8.240 nan 0.000 0.509 597 T N -1.005 113.624 114.554 0.126 0.000 2.962 597 T HA -0.031 4.319 4.350 0.001 0.000 0.270 597 T C 1.364 175.993 174.700 -0.119 0.000 1.088 597 T CA 1.277 63.389 62.100 0.020 0.000 1.127 597 T CB -0.311 68.570 68.868 0.021 0.000 0.883 597 T HN 0.335 nan 8.240 nan 0.000 0.493 598 D N -0.250 119.988 120.400 -0.269 0.000 2.338 598 D HA 0.207 4.848 4.640 0.001 0.000 0.224 598 D C 1.442 177.558 176.300 -0.306 0.000 0.967 598 D CA 0.463 54.126 54.000 -0.562 0.000 0.896 598 D CB 0.106 40.089 40.800 -1.362 0.000 1.028 598 D HN 0.569 nan 8.370 nan 0.000 0.493 599 Y N -0.231 120.053 120.300 -0.027 0.000 2.479 599 Y HA 0.357 4.908 4.550 0.001 0.000 0.283 599 Y C 1.493 177.546 175.900 0.254 0.000 1.109 599 Y CA -0.095 58.062 58.100 0.095 0.000 1.239 599 Y CB 0.746 39.220 38.460 0.023 0.000 1.108 599 Y HN -0.008 nan 8.280 nan 0.000 0.548 600 G N 0.081 109.123 108.800 0.403 0.000 2.610 600 G HA2 -0.198 3.762 3.960 0.001 0.000 0.304 600 G HA3 -0.198 3.762 3.960 0.001 0.000 0.304 600 G C -1.531 173.680 174.900 0.518 0.000 1.309 600 G CA -0.788 44.469 45.100 0.262 0.000 0.906 600 G HN 0.347 nan 8.290 nan 0.000 0.521 601 C N -0.037 119.574 119.300 0.518 0.000 2.609 601 C HA 0.745 5.206 4.460 0.001 0.000 0.313 601 C C 1.991 177.048 174.990 0.113 0.000 1.175 601 C CA 0.721 59.832 59.018 0.155 0.000 1.434 601 C CB 0.886 28.582 27.740 -0.073 0.000 2.005 601 C HN 2.037 nan 8.230 nan 0.000 0.471 602 S N 1.964 117.706 115.700 0.070 0.000 2.500 602 S HA -0.141 4.329 4.470 0.001 0.000 0.239 602 S C 0.935 175.714 174.600 0.298 0.000 0.989 602 S CA 1.730 60.090 58.200 0.267 0.000 0.951 602 S CB -0.278 63.145 63.200 0.371 0.000 0.759 602 S HN 0.869 nan 8.310 nan 0.000 0.523 603 D N 1.921 122.353 120.400 0.052 0.000 2.178 603 D HA 0.008 4.648 4.640 0.001 0.000 0.201 603 D C 1.002 177.366 176.300 0.106 0.000 0.980 603 D CA 0.959 54.994 54.000 0.057 0.000 0.842 603 D CB -0.333 40.412 40.800 -0.092 0.000 0.948 603 D HN 0.512 nan 8.370 nan 0.000 0.472 604 S N -0.009 115.642 115.700 -0.082 0.000 2.537 604 S HA 0.117 4.587 4.470 0.001 0.000 0.275 604 S C 1.026 175.343 174.600 -0.473 0.000 1.272 604 S CA -0.678 57.312 58.200 -0.349 0.000 1.050 604 S CB 1.731 64.503 63.200 -0.714 0.000 0.961 604 S HN -0.017 nan 8.310 nan 0.000 0.496 605 K N 2.998 122.894 120.400 -0.840 0.000 2.057 605 K HA -0.156 4.165 4.320 0.001 0.000 0.207 605 K C 2.102 178.486 176.600 -0.362 0.000 1.049 605 K CA 1.511 57.270 56.287 -0.880 0.000 0.931 605 K CB -0.261 31.824 32.500 -0.691 0.000 0.714 605 K HN 0.853 nan 8.250 nan 0.000 0.440 606 Q N -0.103 119.458 119.800 -0.399 0.000 2.084 606 Q HA -0.208 4.133 4.340 0.001 0.000 0.202 606 Q C 1.757 177.292 176.000 -0.774 0.000 0.978 606 Q CA 1.726 57.273 55.803 -0.427 0.000 0.844 606 Q CB -0.103 28.431 28.738 -0.339 0.000 0.898 606 Q HN 0.620 nan 8.270 nan 0.000 0.426 607 H N -1.202 117.333 119.070 -0.892 0.000 2.389 607 H HA -0.128 4.428 4.556 0.001 0.000 0.299 607 H C 1.921 177.017 175.328 -0.388 0.000 1.081 607 H CA 0.846 56.330 56.048 -0.941 0.000 1.345 607 H CB -0.121 29.391 29.762 -0.418 0.000 1.393 607 H HN 0.315 nan 8.280 nan 0.000 0.520 608 F N 2.571 122.415 119.950 -0.177 0.000 2.161 608 F HA -0.205 4.322 4.527 0.001 0.000 0.300 608 F C 2.170 177.902 175.800 -0.113 0.000 1.089 608 F CA 1.211 59.152 58.000 -0.099 0.000 1.282 608 F CB 0.013 39.028 39.000 0.025 0.000 1.010 608 F HN 0.030 nan 8.300 nan 0.000 0.485 609 E N -0.124 120.000 120.200 -0.126 0.000 2.153 609 E HA -0.219 4.132 4.350 0.001 0.000 0.194 609 E C 2.122 178.721 176.600 -0.003 0.000 0.988 609 E CA 1.336 57.681 56.400 -0.091 0.000 0.811 609 E CB -0.674 29.034 29.700 0.014 0.000 0.746 609 E HN 0.559 nan 8.360 nan 0.000 0.466 610 W N 0.947 122.234 121.300 -0.022 0.000 2.413 610 W HA 0.032 4.693 4.660 0.001 0.000 0.315 610 W C 2.367 178.866 176.519 -0.035 0.000 1.186 610 W CA 0.140 57.511 57.345 0.045 0.000 1.326 610 W CB -1.368 28.157 29.460 0.109 0.000 1.153 610 W HN 0.031 nan 8.180 nan 0.000 0.489 611 L N -0.037 121.216 121.223 0.051 0.000 2.043 611 L HA -0.249 4.091 4.340 0.001 0.000 0.212 611 L C 2.398 178.886 176.870 -0.637 0.000 1.075 611 L CA 1.169 55.759 54.840 -0.417 0.000 0.752 611 L CB -1.091 40.814 42.059 -0.257 0.000 0.891 611 L HN -0.133 nan 8.230 nan 0.000 0.432 612 I N -0.164 119.986 120.570 -0.700 0.000 2.454 612 I HA -0.240 3.930 4.170 0.001 0.000 0.254 612 I C 2.279 178.204 176.117 -0.321 0.000 1.156 612 I CA 1.519 62.400 61.300 -0.698 0.000 1.433 612 I CB -0.335 37.019 38.000 -1.076 0.000 1.082 612 I HN 0.122 nan 8.210 nan 0.000 0.432 613 K N -0.792 119.504 120.400 -0.173 0.000 2.288 613 K HA -0.123 4.197 4.320 0.001 0.000 0.201 613 K C 1.298 177.937 176.600 0.066 0.000 1.048 613 K CA 1.565 57.855 56.287 0.006 0.000 0.956 613 K CB -0.050 32.518 32.500 0.113 0.000 0.746 613 K HN 0.623 nan 8.250 nan 0.000 0.461 614 Y N -2.676 117.582 120.300 -0.070 0.000 2.448 614 Y HA 0.308 4.859 4.550 0.001 0.000 0.257 614 Y C 0.495 176.278 175.900 -0.195 0.000 1.089 614 Y CA -0.765 57.240 58.100 -0.158 0.000 1.245 614 Y CB 0.001 38.380 38.460 -0.135 0.000 1.282 614 Y HN -0.254 nan 8.280 nan 0.000 0.529 615 S N 4.048 119.488 115.700 -0.434 0.000 2.811 615 S HA 0.033 4.503 4.470 0.001 0.000 0.325 615 S C -1.418 173.090 174.600 -0.153 0.000 1.224 615 S CA -0.688 57.344 58.200 -0.279 0.000 1.125 615 S CB 0.463 63.605 63.200 -0.097 0.000 0.867 615 S HN 0.239 nan 8.310 nan 0.000 0.512 616 P HA -0.161 nan 4.420 nan 0.000 0.216 616 P C 1.579 178.761 177.300 -0.197 0.000 1.157 616 P CA 0.661 63.556 63.100 -0.343 0.000 0.880 616 P CB 0.037 31.246 31.700 -0.818 0.000 0.791 617 L N -1.260 119.785 121.223 -0.298 0.000 2.187 617 L HA -0.170 4.171 4.340 0.001 0.000 0.213 617 L C 1.376 178.045 176.870 -0.335 0.000 1.100 617 L CA 2.063 56.770 54.840 -0.221 0.000 0.765 617 L CB -1.216 40.599 42.059 -0.408 0.000 0.904 617 L HN 0.118 nan 8.230 nan 0.000 0.437 618 H N -1.791 117.283 119.070 0.007 0.000 2.520 618 H HA 0.317 4.873 4.556 0.001 0.000 0.284 618 H C 0.554 175.896 175.328 0.024 0.000 1.037 618 H CA 0.138 56.188 56.048 0.003 0.000 1.168 618 H CB 0.025 29.739 29.762 -0.080 0.000 1.497 618 H HN 0.297 nan 8.280 nan 0.000 0.547 619 N N 0.555 119.322 118.700 0.112 0.000 2.299 619 N HA 0.083 4.823 4.740 0.001 0.000 0.246 619 N C -0.731 174.882 175.510 0.172 0.000 1.254 619 N CA 0.111 53.233 53.050 0.119 0.000 0.879 619 N CB 1.871 40.401 38.487 0.071 0.000 1.214 619 N HN -0.006 nan 8.380 nan 0.000 0.510 620 V N 1.662 121.684 119.914 0.180 0.000 2.508 620 V HA 0.182 4.302 4.120 0.001 0.000 0.281 620 V C 0.419 176.582 176.094 0.115 0.000 1.041 620 V CA 0.306 62.709 62.300 0.172 0.000 1.016 620 V CB 0.794 32.653 31.823 0.059 0.000 0.984 620 V HN 0.109 nan 8.190 nan 0.000 0.478 621 K N 4.683 125.179 120.400 0.159 0.000 2.557 621 K HA 0.455 4.776 4.320 0.001 0.000 0.257 621 K C -1.202 175.493 176.600 0.159 0.000 0.933 621 K CA -0.881 55.479 56.287 0.121 0.000 0.820 621 K CB 1.696 34.279 32.500 0.138 0.000 1.330 621 K HN 0.534 nan 8.250 nan 0.000 0.432 622 L N 4.913 126.176 121.223 0.066 0.000 2.513 622 L HA 0.145 4.485 4.340 0.001 0.000 0.272 622 L C -1.975 174.980 176.870 0.143 0.000 1.187 622 L CA -1.529 53.360 54.840 0.081 0.000 0.895 622 L CB 0.092 42.165 42.059 0.023 0.000 1.147 622 L HN 0.479 nan 8.230 nan 0.000 0.483 623 P HA -0.038 nan 4.420 nan 0.000 0.266 623 P C 0.475 177.825 177.300 0.084 0.000 1.195 623 P CA -0.076 63.106 63.100 0.136 0.000 0.768 623 P CB 0.661 32.439 31.700 0.130 0.000 0.838 624 E N 2.781 123.018 120.200 0.063 0.000 2.051 624 E HA -0.114 4.236 4.350 0.001 0.000 0.192 624 E C 0.377 176.999 176.600 0.036 0.000 0.991 624 E CA 0.430 56.857 56.400 0.045 0.000 0.799 624 E CB -0.127 29.596 29.700 0.038 0.000 0.748 624 E HN 0.577 nan 8.360 nan 0.000 0.449 625 A N 1.407 124.247 122.820 0.033 0.000 2.477 625 A HA -0.016 4.304 4.320 0.001 0.000 0.246 625 A C 0.298 177.899 177.584 0.028 0.000 1.078 625 A CA -0.084 51.968 52.037 0.025 0.000 0.770 625 A CB 0.375 19.385 19.000 0.018 0.000 1.011 625 A HN 0.224 nan 8.150 nan 0.000 0.494 626 D N 0.960 121.373 120.400 0.022 0.000 2.178 626 D HA -0.133 4.507 4.640 0.001 0.000 0.201 626 D C 1.011 177.324 176.300 0.022 0.000 0.980 626 D CA 1.874 55.887 54.000 0.021 0.000 0.842 626 D CB 0.013 40.822 40.800 0.015 0.000 0.948 626 D HN 0.769 nan 8.370 nan 0.000 0.472 627 D N -0.141 120.270 120.400 0.018 0.000 2.325 627 D HA -0.044 4.596 4.640 0.001 0.000 0.234 627 D C 0.118 176.431 176.300 0.021 0.000 1.122 627 D CA -0.042 53.968 54.000 0.016 0.000 0.850 627 D CB 0.119 40.925 40.800 0.008 0.000 0.921 627 D HN 0.098 nan 8.370 nan 0.000 0.513 628 I N 1.529 122.118 120.570 0.031 0.000 2.466 628 I HA 0.277 4.448 4.170 0.001 0.000 0.289 628 I C -0.037 176.124 176.117 0.074 0.000 1.026 628 I CA -0.763 60.561 61.300 0.040 0.000 1.078 628 I CB 1.612 39.630 38.000 0.030 0.000 1.249 628 I HN 0.069 nan 8.210 nan 0.000 0.429 629 Q N 4.329 124.185 119.800 0.092 0.000 2.587 629 Q HA 0.563 4.903 4.340 0.001 0.000 0.293 629 Q C -1.541 174.588 176.000 0.214 0.000 1.083 629 Q CA -0.906 54.990 55.803 0.154 0.000 0.792 629 Q CB 1.794 30.602 28.738 0.116 0.000 1.484 629 Q HN 0.315 nan 8.270 nan 0.000 0.446 630 Y N 1.708 122.036 120.300 0.047 0.000 2.397 630 Y HA 0.238 4.789 4.550 0.001 0.000 0.335 630 Y C -1.908 174.039 175.900 0.078 0.000 1.213 630 Y CA -1.647 56.490 58.100 0.062 0.000 1.391 630 Y CB 0.456 38.940 38.460 0.040 0.000 1.293 630 Y HN 0.524 nan 8.280 nan 0.000 0.557 631 P HA 0.045 nan 4.420 nan 0.000 0.273 631 P C -0.706 176.711 177.300 0.195 0.000 1.250 631 P CA -0.346 62.853 63.100 0.164 0.000 0.793 631 P CB 0.695 32.499 31.700 0.172 0.000 1.011 632 S N 0.537 116.344 115.700 0.178 0.000 2.549 632 S HA 0.259 4.729 4.470 0.001 0.000 0.283 632 S C 0.448 175.263 174.600 0.358 0.000 1.320 632 S CA 0.111 58.452 58.200 0.234 0.000 1.058 632 S CB -0.456 62.793 63.200 0.082 0.000 0.882 632 S HN 0.330 nan 8.310 nan 0.000 0.498 633 M N 3.123 122.949 119.600 0.378 0.000 2.393 633 M HA 0.500 4.980 4.480 0.001 0.000 0.299 633 M C -1.448 174.799 176.300 -0.088 0.000 1.103 633 M CA -0.750 54.664 55.300 0.190 0.000 0.910 633 M CB 1.951 34.600 32.600 0.081 0.000 1.659 633 M HN 0.431 nan 8.290 nan 0.000 0.445 634 L N 4.634 125.664 121.223 -0.321 0.000 2.406 634 L HA 0.635 4.976 4.340 0.001 0.000 0.272 634 L C -1.855 174.858 176.870 -0.261 0.000 0.980 634 L CA -0.278 54.210 54.840 -0.587 0.000 0.831 634 L CB 1.512 42.853 42.059 -1.197 0.000 1.253 634 L HN 0.672 nan 8.230 nan 0.000 0.406 635 L N 6.288 127.407 121.223 -0.173 0.000 2.287 635 L HA 0.528 4.868 4.340 0.001 0.000 0.287 635 L C -0.764 176.075 176.870 -0.051 0.000 1.022 635 L CA -0.579 54.224 54.840 -0.062 0.000 0.814 635 L CB 1.396 43.455 42.059 0.001 0.000 1.217 635 L HN 0.517 nan 8.230 nan 0.000 0.420 636 L N 3.038 124.243 121.223 -0.029 0.000 2.322 636 L HA 0.720 5.060 4.340 0.001 0.000 0.281 636 L C 0.050 176.918 176.870 -0.004 0.000 1.014 636 L CA -0.095 54.740 54.840 -0.007 0.000 0.815 636 L CB 2.017 44.078 42.059 0.004 0.000 1.247 636 L HN 0.619 nan 8.230 nan 0.000 0.421 637 T N 1.492 116.036 114.554 -0.017 0.000 2.671 637 T HA 0.864 5.214 4.350 0.001 0.000 0.300 637 T C -1.902 172.785 174.700 -0.021 0.000 1.238 637 T CA -0.148 61.954 62.100 0.003 0.000 1.020 637 T CB 2.007 70.894 68.868 0.032 0.000 1.503 637 T HN 0.745 nan 8.240 nan 0.000 0.497 638 A N 0.726 123.558 122.820 0.020 0.000 2.572 638 A HA 0.618 4.938 4.320 0.001 0.000 0.295 638 A C 0.165 177.783 177.584 0.058 0.000 1.072 638 A CA -0.009 52.044 52.037 0.026 0.000 0.691 638 A CB 1.348 20.381 19.000 0.055 0.000 1.291 638 A HN 0.875 nan 8.150 nan 0.000 0.404 639 D N -0.420 120.019 120.400 0.064 0.000 2.348 639 D HA -0.089 4.551 4.640 0.001 0.000 0.216 639 D C 0.525 176.794 176.300 -0.052 0.000 0.970 639 D CA 1.671 55.683 54.000 0.021 0.000 0.889 639 D CB -0.255 40.553 40.800 0.013 0.000 0.912 639 D HN 0.622 nan 8.370 nan 0.000 0.524 640 H N -0.760 118.343 119.070 0.055 0.000 2.486 640 H HA 0.218 4.774 4.556 0.001 0.000 0.284 640 H C -0.581 174.804 175.328 0.095 0.000 1.103 640 H CA -0.525 55.569 56.048 0.077 0.000 1.089 640 H CB 0.237 30.044 29.762 0.075 0.000 1.603 640 H HN -0.029 nan 8.280 nan 0.000 0.557 641 D N 1.531 122.031 120.400 0.167 0.000 2.470 641 D HA -0.036 4.605 4.640 0.001 0.000 0.226 641 D C 0.237 176.626 176.300 0.149 0.000 1.196 641 D CA -0.105 54.004 54.000 0.183 0.000 0.979 641 D CB 0.226 41.146 40.800 0.200 0.000 1.059 641 D HN 0.421 nan 8.370 nan 0.000 0.515 642 D N 1.904 122.383 120.400 0.133 0.000 2.340 642 D HA -0.058 4.582 4.640 0.001 0.000 0.220 642 D C 1.579 177.940 176.300 0.102 0.000 1.039 642 D CA -0.085 53.974 54.000 0.098 0.000 0.866 642 D CB 0.241 41.081 40.800 0.066 0.000 0.913 642 D HN 0.185 nan 8.370 nan 0.000 0.523 643 R N 0.667 121.223 120.500 0.094 0.000 2.052 643 R HA 0.133 4.473 4.340 0.001 0.000 0.224 643 R C 0.068 176.491 176.300 0.205 0.000 1.149 643 R CA 0.926 57.054 56.100 0.047 0.000 0.962 643 R CB -0.206 29.876 30.300 -0.363 0.000 0.856 643 R HN 0.030 nan 8.270 nan 0.000 0.433 644 V N 3.390 123.401 119.914 0.163 0.000 2.266 644 V HA 0.247 4.368 4.120 0.001 0.000 0.271 644 V C -0.560 175.719 176.094 0.308 0.000 1.032 644 V CA -1.006 61.487 62.300 0.322 0.000 0.806 644 V CB 1.053 32.985 31.823 0.181 0.000 1.052 644 V HN 0.274 nan 8.190 nan 0.000 0.449 645 V N 4.699 124.800 119.914 0.311 0.000 2.625 645 V HA 0.084 4.205 4.120 0.001 0.000 0.305 645 V C -0.394 175.781 176.094 0.135 0.000 1.055 645 V CA -0.457 61.930 62.300 0.145 0.000 1.209 645 V CB 0.106 31.906 31.823 -0.038 0.000 0.877 645 V HN 0.655 nan 8.190 nan 0.000 0.489 646 P HA -0.230 nan 4.420 nan 0.000 0.219 646 P C 1.516 178.810 177.300 -0.009 0.000 1.144 646 P CA 1.858 64.986 63.100 0.047 0.000 0.806 646 P CB -0.033 31.680 31.700 0.022 0.000 0.771 647 L N -2.732 118.413 121.223 -0.129 0.000 2.189 647 L HA -0.153 4.187 4.340 0.001 0.000 0.214 647 L C 2.505 179.258 176.870 -0.195 0.000 1.097 647 L CA 1.864 56.560 54.840 -0.241 0.000 0.764 647 L CB -2.343 39.465 42.059 -0.418 0.000 0.900 647 L HN -0.034 nan 8.230 nan 0.000 0.436 648 H N 0.227 119.261 119.070 -0.060 0.000 2.319 648 H HA -0.063 4.494 4.556 0.001 0.000 0.299 648 H C 2.358 177.696 175.328 0.016 0.000 1.092 648 H CA 1.881 57.922 56.048 -0.010 0.000 1.302 648 H CB -0.090 29.691 29.762 0.031 0.000 1.373 648 H HN 0.495 nan 8.280 nan 0.000 0.497 649 S N 0.396 116.195 115.700 0.164 0.000 2.414 649 S HA 0.003 4.473 4.470 0.001 0.000 0.227 649 S C 2.466 177.131 174.600 0.108 0.000 1.022 649 S CA 0.196 58.491 58.200 0.159 0.000 0.958 649 S CB 0.031 63.301 63.200 0.117 0.000 0.797 649 S HN 0.218 nan 8.310 nan 0.000 0.493 650 L N 1.213 122.454 121.223 0.030 0.000 2.005 650 L HA -0.084 4.257 4.340 0.001 0.000 0.207 650 L C 2.442 179.183 176.870 -0.214 0.000 1.072 650 L CA 1.247 56.073 54.840 -0.022 0.000 0.744 650 L CB -0.534 41.416 42.059 -0.182 0.000 0.895 650 L HN 0.212 nan 8.230 nan 0.000 0.433 651 K N -0.600 119.659 120.400 -0.235 0.000 2.097 651 K HA -0.173 4.147 4.320 0.001 0.000 0.205 651 K C 2.132 178.689 176.600 -0.071 0.000 1.050 651 K CA 1.248 57.395 56.287 -0.234 0.000 0.938 651 K CB -0.218 32.191 32.500 -0.152 0.000 0.718 651 K HN 0.076 nan 8.250 nan 0.000 0.442 652 F N 1.915 121.779 119.950 -0.143 0.000 2.084 652 F HA -0.172 4.356 4.527 0.001 0.000 0.296 652 F C 2.111 177.837 175.800 -0.123 0.000 1.111 652 F CA 0.800 58.736 58.000 -0.107 0.000 1.224 652 F CB -0.541 38.423 39.000 -0.061 0.000 0.991 652 F HN -0.146 nan 8.300 nan 0.000 0.471 653 I N 0.609 121.071 120.570 -0.180 0.000 2.286 653 I HA -0.185 3.985 4.170 0.001 0.000 0.248 653 I C 2.377 178.312 176.117 -0.303 0.000 1.115 653 I CA 1.588 62.707 61.300 -0.301 0.000 1.392 653 I CB -0.961 36.944 38.000 -0.160 0.000 1.065 653 I HN 0.162 nan 8.210 nan 0.000 0.418 654 A N -1.036 121.622 122.820 -0.269 0.000 1.933 654 A HA -0.195 4.125 4.320 0.001 0.000 0.218 654 A C 2.337 179.621 177.584 -0.501 0.000 1.175 654 A CA 2.358 54.101 52.037 -0.491 0.000 0.628 654 A CB -1.252 17.089 19.000 -1.099 0.000 0.814 654 A HN 0.455 nan 8.150 nan 0.000 0.444 655 T N 0.391 114.746 114.554 -0.331 0.000 2.812 655 T HA -0.030 4.320 4.350 0.001 0.000 0.264 655 T C 1.830 176.452 174.700 -0.130 0.000 1.042 655 T CA 1.336 63.419 62.100 -0.030 0.000 1.140 655 T CB -0.356 68.552 68.868 0.067 0.000 0.870 655 T HN 0.356 nan 8.240 nan 0.000 0.445 656 L N 0.764 121.776 121.223 -0.352 0.000 2.017 656 L HA -0.172 4.168 4.340 0.001 0.000 0.208 656 L C 2.945 179.594 176.870 -0.368 0.000 1.073 656 L CA 1.520 56.098 54.840 -0.437 0.000 0.745 656 L CB -0.600 41.103 42.059 -0.594 0.000 0.894 656 L HN 0.289 nan 8.230 nan 0.000 0.432 657 Q N -1.331 118.221 119.800 -0.413 0.000 2.084 657 Q HA -0.259 4.081 4.340 0.001 0.000 0.202 657 Q C 2.090 177.979 176.000 -0.186 0.000 0.978 657 Q CA 2.046 57.542 55.803 -0.512 0.000 0.844 657 Q CB -0.234 28.070 28.738 -0.724 0.000 0.898 657 Q HN 0.470 nan 8.270 nan 0.000 0.426 658 Y N 0.669 120.872 120.300 -0.161 0.000 2.153 658 Y HA -0.181 4.369 4.550 0.001 0.000 0.289 658 Y C 1.910 177.791 175.900 -0.031 0.000 1.127 658 Y CA 1.104 59.190 58.100 -0.023 0.000 1.131 658 Y CB 0.050 38.569 38.460 0.099 0.000 0.995 658 Y HN 0.008 nan 8.280 nan 0.000 0.505 659 I N -0.840 119.716 120.570 -0.023 0.000 2.286 659 I HA -0.181 3.990 4.170 0.001 0.000 0.245 659 I C 2.089 178.085 176.117 -0.201 0.000 1.104 659 I CA 1.218 62.448 61.300 -0.116 0.000 1.397 659 I CB -1.253 36.734 38.000 -0.023 0.000 1.072 659 I HN 0.199 nan 8.210 nan 0.000 0.417 660 V N 0.328 120.092 119.914 -0.249 0.000 2.690 660 V HA 0.183 4.303 4.120 0.001 0.000 0.240 660 V C 2.578 178.582 176.094 -0.150 0.000 1.078 660 V CA 1.185 63.322 62.300 -0.271 0.000 1.102 660 V CB -0.918 30.586 31.823 -0.532 0.000 0.800 660 V HN 0.378 nan 8.190 nan 0.000 0.479 661 G N 0.547 109.266 108.800 -0.134 0.000 2.469 661 G HA2 -0.269 3.692 3.960 0.001 0.000 0.220 661 G HA3 -0.269 3.692 3.960 0.001 0.000 0.220 661 G C 1.680 176.638 174.900 0.097 0.000 1.136 661 G CA 0.844 45.975 45.100 0.051 0.000 0.759 661 G HN 0.413 nan 8.290 nan 0.000 0.562 662 R N 0.793 121.288 120.500 -0.010 0.000 2.189 662 R HA 0.022 4.363 4.340 0.001 0.000 0.223 662 R C 1.520 177.796 176.300 -0.039 0.000 1.092 662 R CA 0.653 56.735 56.100 -0.029 0.000 0.989 662 R CB -0.209 30.004 30.300 -0.146 0.000 0.876 662 R HN 0.484 nan 8.270 nan 0.000 0.457 663 S N 0.534 116.204 115.700 -0.049 0.000 2.576 663 S HA 0.062 4.532 4.470 0.001 0.000 0.276 663 S C 1.120 175.715 174.600 -0.009 0.000 1.339 663 S CA -0.719 57.461 58.200 -0.034 0.000 1.039 663 S CB 2.000 65.179 63.200 -0.036 0.000 0.902 663 S HN 0.170 nan 8.310 nan 0.000 0.516 664 R N 2.584 123.079 120.500 -0.008 0.000 2.091 664 R HA -0.158 4.183 4.340 0.001 0.000 0.238 664 R C 1.969 178.271 176.300 0.004 0.000 1.136 664 R CA 2.123 58.221 56.100 -0.004 0.000 0.959 664 R CB -0.611 29.687 30.300 -0.004 0.000 0.856 664 R HN 0.953 nan 8.270 nan 0.000 0.437 665 K N 0.306 120.712 120.400 0.010 0.000 2.515 665 K HA -0.121 4.199 4.320 0.001 0.000 0.196 665 K C 0.596 177.216 176.600 0.033 0.000 1.038 665 K CA 0.630 56.929 56.287 0.021 0.000 0.967 665 K CB -0.035 32.481 32.500 0.026 0.000 0.780 665 K HN -0.061 nan 8.250 nan 0.000 0.483 666 Q N 1.756 121.575 119.800 0.033 0.000 2.389 666 Q HA 0.141 4.482 4.340 0.001 0.000 0.244 666 Q C -0.391 175.638 176.000 0.048 0.000 1.056 666 Q CA -0.080 55.755 55.803 0.052 0.000 0.908 666 Q CB 0.716 29.483 28.738 0.049 0.000 1.273 666 Q HN 0.217 nan 8.270 nan 0.000 0.471 667 N N 2.317 121.045 118.700 0.046 0.000 2.368 667 N HA 0.053 4.793 4.740 0.001 0.000 0.178 667 N C -0.590 174.949 175.510 0.048 0.000 1.076 667 N CA 0.097 53.163 53.050 0.025 0.000 0.889 667 N CB 0.378 38.875 38.487 0.016 0.000 1.040 667 N HN 0.418 nan 8.380 nan 0.000 0.463 668 N N 3.033 121.782 118.700 0.082 0.000 2.513 668 N HA 0.153 4.893 4.740 0.001 0.000 0.268 668 N C -2.352 173.246 175.510 0.148 0.000 1.180 668 N CA -0.882 52.232 53.050 0.106 0.000 0.948 668 N CB 0.587 39.145 38.487 0.120 0.000 1.083 668 N HN 0.181 nan 8.380 nan 0.000 0.455 669 P HA 0.183 nan 4.420 nan 0.000 0.274 669 P C -0.778 176.662 177.300 0.232 0.000 1.231 669 P CA -0.124 63.108 63.100 0.221 0.000 0.790 669 P CB 0.926 32.639 31.700 0.022 0.000 0.951 670 L N 3.012 124.365 121.223 0.217 0.000 2.427 670 L HA 0.466 4.807 4.340 0.001 0.000 0.264 670 L C 0.000 176.820 176.870 -0.083 0.000 0.989 670 L CA -0.317 54.528 54.840 0.008 0.000 0.865 670 L CB 0.982 42.958 42.059 -0.140 0.000 1.209 670 L HN 0.238 nan 8.230 nan 0.000 0.430 671 L N 3.285 124.426 121.223 -0.135 0.000 2.283 671 L HA 0.687 5.027 4.340 0.001 0.000 0.259 671 L C -0.793 175.950 176.870 -0.210 0.000 1.027 671 L CA -0.819 53.903 54.840 -0.197 0.000 0.828 671 L CB 3.055 44.967 42.059 -0.245 0.000 1.380 671 L HN 0.434 nan 8.230 nan 0.000 0.425 672 I N -0.239 120.228 120.570 -0.171 0.000 2.686 672 I HA 0.427 4.598 4.170 0.001 0.000 0.295 672 I C -1.756 174.346 176.117 -0.025 0.000 1.114 672 I CA -0.394 60.842 61.300 -0.106 0.000 1.038 672 I CB 2.338 40.286 38.000 -0.087 0.000 1.238 672 I HN 0.660 nan 8.210 nan 0.000 0.420 673 H N 6.053 125.056 119.070 -0.110 0.000 2.727 673 H HA 0.555 5.111 4.556 0.001 0.000 0.330 673 H C -1.783 173.523 175.328 -0.037 0.000 0.986 673 H CA -0.450 55.553 56.048 -0.076 0.000 1.251 673 H CB 1.609 31.327 29.762 -0.073 0.000 1.493 673 H HN 0.214 nan 8.280 nan 0.000 0.515 674 V N 5.417 125.139 119.914 -0.319 0.000 2.328 674 V HA 0.175 4.296 4.120 0.001 0.000 0.278 674 V C 0.297 176.153 176.094 -0.397 0.000 1.021 674 V CA -0.788 61.356 62.300 -0.260 0.000 0.838 674 V CB 0.975 32.742 31.823 -0.094 0.000 0.999 674 V HN 0.778 nan 8.190 nan 0.000 0.447 675 D N 3.369 123.564 120.400 -0.341 0.000 2.329 675 D HA 0.462 5.102 4.640 0.001 0.000 0.246 675 D C 0.384 176.649 176.300 -0.058 0.000 1.111 675 D CA 0.050 53.913 54.000 -0.228 0.000 0.941 675 D CB 1.626 42.346 40.800 -0.134 0.000 1.169 675 D HN 0.695 nan 8.370 nan 0.000 0.441 676 T N -1.066 113.483 114.554 -0.009 0.000 2.929 676 T HA 0.380 4.730 4.350 0.001 0.000 0.284 676 T C 0.039 174.771 174.700 0.054 0.000 1.014 676 T CA -0.908 61.224 62.100 0.053 0.000 1.051 676 T CB 0.949 69.846 68.868 0.048 0.000 1.028 676 T HN 0.489 nan 8.240 nan 0.000 0.485 677 K N -0.172 120.270 120.400 0.070 0.000 3.071 677 K HA -0.073 4.247 4.320 0.001 0.000 0.262 677 K C -0.084 176.482 176.600 -0.057 0.000 0.977 677 K CA 0.575 56.810 56.287 -0.086 0.000 0.721 677 K CB -2.116 30.341 32.500 -0.072 0.000 1.293 677 K HN 1.026 nan 8.250 nan 0.000 0.475 678 A N -0.748 122.088 122.820 0.027 0.000 2.587 678 A HA 0.830 5.150 4.320 0.001 0.000 0.293 678 A C 0.236 177.893 177.584 0.122 0.000 1.087 678 A CA -0.120 51.947 52.037 0.049 0.000 0.692 678 A CB 1.988 21.012 19.000 0.040 0.000 1.291 678 A HN 0.263 nan 8.150 nan 0.000 0.407 679 G N -1.028 107.843 108.800 0.118 0.000 3.302 679 G HA2 0.402 4.363 3.960 0.001 0.000 0.170 679 G HA3 0.402 4.363 3.960 0.001 0.000 0.170 679 G C 0.599 175.600 174.900 0.168 0.000 1.119 679 G CA 0.509 45.710 45.100 0.168 0.000 0.826 679 G HN 0.894 nan 8.290 nan 0.000 0.646 680 H N -0.592 118.529 119.070 0.084 0.000 2.421 680 H HA 0.131 4.687 4.556 0.001 0.000 0.298 680 H C 1.900 177.263 175.328 0.058 0.000 1.087 680 H CA 2.830 58.920 56.048 0.071 0.000 1.330 680 H CB 0.237 30.046 29.762 0.079 0.000 1.388 680 H HN 0.767 nan 8.280 nan 0.000 0.526 681 G N -1.947 106.888 108.800 0.058 0.000 3.768 681 G HA2 -0.046 3.915 3.960 0.001 0.000 0.214 681 G HA3 -0.046 3.915 3.960 0.001 0.000 0.214 681 G C 0.250 175.174 174.900 0.041 0.000 1.058 681 G CA -0.110 44.990 45.100 -0.001 0.000 0.890 681 G HN 0.588 nan 8.290 nan 0.000 0.393 682 A N 0.759 123.623 122.820 0.074 0.000 2.540 682 A HA 0.541 4.861 4.320 0.001 0.000 0.239 682 A C 1.952 179.571 177.584 0.059 0.000 1.061 682 A CA 1.884 53.962 52.037 0.068 0.000 0.758 682 A CB -0.372 18.681 19.000 0.087 0.000 0.991 682 A HN 2.448 nan 8.150 nan 0.000 0.502 683 G N 1.133 109.959 108.800 0.044 0.000 2.184 683 G HA2 -0.298 3.662 3.960 0.001 0.000 0.264 683 G HA3 -0.298 3.662 3.960 0.001 0.000 0.264 683 G C 0.404 175.326 174.900 0.036 0.000 0.975 683 G CA 0.807 45.930 45.100 0.038 0.000 0.642 683 G HN 1.092 nan 8.290 nan 0.000 0.536 684 K N 1.917 122.340 120.400 0.039 0.000 2.451 684 K HA 0.297 4.617 4.320 0.001 0.000 0.280 684 K C -1.513 175.110 176.600 0.039 0.000 1.020 684 K CA -1.018 55.291 56.287 0.036 0.000 1.008 684 K CB 0.651 33.172 32.500 0.035 0.000 0.917 684 K HN 0.171 nan 8.250 nan 0.000 0.478 685 P HA -0.028 nan 4.420 nan 0.000 0.269 685 P C 0.164 177.499 177.300 0.059 0.000 1.209 685 P CA -0.126 62.998 63.100 0.039 0.000 0.776 685 P CB 0.814 32.531 31.700 0.028 0.000 0.876 686 T N 1.988 116.590 114.554 0.079 0.000 2.721 686 T HA -0.228 4.123 4.350 0.001 0.000 0.268 686 T C 1.862 176.625 174.700 0.105 0.000 1.038 686 T CA 2.335 64.517 62.100 0.138 0.000 1.145 686 T CB -0.636 68.326 68.868 0.155 0.000 0.858 686 T HN 0.560 nan 8.240 nan 0.000 0.459 687 A N 1.636 124.499 122.820 0.072 0.000 1.865 687 A HA -0.161 4.160 4.320 0.001 0.000 0.217 687 A C 2.281 179.900 177.584 0.058 0.000 1.191 687 A CA 1.742 53.815 52.037 0.061 0.000 0.623 687 A CB -0.460 18.566 19.000 0.044 0.000 0.826 687 A HN 0.470 nan 8.150 nan 0.000 0.444 688 K N -0.522 119.910 120.400 0.052 0.000 2.097 688 K HA -0.039 4.281 4.320 0.001 0.000 0.205 688 K C 1.885 178.516 176.600 0.051 0.000 1.050 688 K CA 1.230 57.549 56.287 0.053 0.000 0.938 688 K CB -0.333 32.194 32.500 0.045 0.000 0.718 688 K HN 0.313 nan 8.250 nan 0.000 0.442 689 V N 1.903 121.841 119.914 0.040 0.000 2.287 689 V HA -0.265 3.856 4.120 0.001 0.000 0.248 689 V C 2.173 178.271 176.094 0.006 0.000 1.053 689 V CA 1.690 63.997 62.300 0.012 0.000 1.027 689 V CB -0.366 31.445 31.823 -0.020 0.000 0.646 689 V HN 0.285 nan 8.190 nan 0.000 0.447 690 I N -0.312 120.265 120.570 0.012 0.000 2.226 690 I HA -0.183 3.987 4.170 0.001 0.000 0.245 690 I C 2.631 178.802 176.117 0.091 0.000 1.100 690 I CA 1.249 62.573 61.300 0.039 0.000 1.374 690 I CB -0.402 37.633 38.000 0.058 0.000 1.057 690 I HN 0.339 nan 8.210 nan 0.000 0.413 691 E N 0.531 120.779 120.200 0.080 0.000 2.110 691 E HA -0.265 4.085 4.350 0.001 0.000 0.193 691 E C 1.928 178.584 176.600 0.093 0.000 0.988 691 E CA 1.110 57.562 56.400 0.087 0.000 0.804 691 E CB -0.249 29.501 29.700 0.083 0.000 0.745 691 E HN 0.569 nan 8.360 nan 0.000 0.458 692 E N 0.798 121.053 120.200 0.091 0.000 2.047 692 E HA -0.145 4.206 4.350 0.001 0.000 0.191 692 E C 2.199 178.857 176.600 0.098 0.000 0.987 692 E CA 1.700 58.156 56.400 0.092 0.000 0.799 692 E CB 0.159 29.905 29.700 0.076 0.000 0.752 692 E HN 0.159 nan 8.360 nan 0.000 0.449 693 V N -1.181 118.815 119.914 0.136 0.000 2.626 693 V HA -0.124 3.997 4.120 0.001 0.000 0.252 693 V C 2.132 178.321 176.094 0.159 0.000 1.067 693 V CA 1.707 64.147 62.300 0.234 0.000 1.081 693 V CB -0.285 31.719 31.823 0.302 0.000 0.686 693 V HN 0.086 nan 8.190 nan 0.000 0.468 694 S N 0.723 116.508 115.700 0.143 0.000 2.368 694 S HA -0.153 4.318 4.470 0.001 0.000 0.224 694 S C 1.710 176.297 174.600 -0.021 0.000 1.029 694 S CA 1.575 59.808 58.200 0.055 0.000 0.988 694 S CB -0.478 62.831 63.200 0.183 0.000 0.838 694 S HN 0.668 nan 8.310 nan 0.000 0.462 695 D N 1.527 121.940 120.400 0.022 0.000 2.097 695 D HA -0.042 4.599 4.640 0.001 0.000 0.195 695 D C 1.918 178.232 176.300 0.024 0.000 0.989 695 D CA 1.026 55.034 54.000 0.013 0.000 0.827 695 D CB -0.306 40.486 40.800 -0.013 0.000 0.966 695 D HN 0.353 nan 8.370 nan 0.000 0.456 696 M N -0.411 119.173 119.600 -0.026 0.000 2.065 696 M HA -0.161 4.319 4.480 0.001 0.000 0.259 696 M C 2.071 178.236 176.300 -0.224 0.000 1.071 696 M CA 1.481 56.701 55.300 -0.133 0.000 1.109 696 M CB -0.445 32.001 32.600 -0.258 0.000 1.313 696 M HN -0.042 nan 8.290 nan 0.000 0.408 697 F N -0.097 119.732 119.950 -0.203 0.000 2.502 697 F HA -0.003 4.524 4.527 0.001 0.000 0.298 697 F C 2.465 178.231 175.800 -0.056 0.000 1.111 697 F CA 0.893 58.768 58.000 -0.207 0.000 1.445 697 F CB -0.773 37.891 39.000 -0.559 0.000 1.081 697 F HN 0.123 nan 8.300 nan 0.000 0.558 698 A N -0.413 122.446 122.820 0.065 0.000 1.930 698 A HA -0.114 4.206 4.320 0.001 0.000 0.215 698 A C 1.998 179.675 177.584 0.154 0.000 1.176 698 A CA 0.751 52.848 52.037 0.100 0.000 0.632 698 A CB -1.111 17.925 19.000 0.061 0.000 0.819 698 A HN 0.355 nan 8.150 nan 0.000 0.445 699 F N 0.968 120.952 119.950 0.056 0.000 2.102 699 F HA -0.153 4.374 4.527 0.001 0.000 0.298 699 F C 1.913 177.796 175.800 0.139 0.000 1.105 699 F CA 1.705 59.791 58.000 0.142 0.000 1.239 699 F CB -0.270 38.792 39.000 0.104 0.000 0.991 699 F HN 0.177 nan 8.300 nan 0.000 0.474 700 I N 0.241 120.879 120.570 0.113 0.000 2.179 700 I HA -0.322 3.848 4.170 0.001 0.000 0.242 700 I C 2.730 178.899 176.117 0.086 0.000 1.088 700 I CA 1.301 62.638 61.300 0.061 0.000 1.357 700 I CB -1.068 37.000 38.000 0.112 0.000 1.051 700 I HN 0.232 nan 8.210 nan 0.000 0.409 701 A N 0.748 123.662 122.820 0.157 0.000 1.883 701 A HA -0.280 4.040 4.320 0.001 0.000 0.217 701 A C 2.443 180.070 177.584 0.073 0.000 1.186 701 A CA 2.151 54.291 52.037 0.172 0.000 0.624 701 A CB -0.715 18.419 19.000 0.224 0.000 0.822 701 A HN 0.375 nan 8.150 nan 0.000 0.444 702 R N -0.901 119.602 120.500 0.005 0.000 2.066 702 R HA -0.129 4.211 4.340 0.001 0.000 0.232 702 R C 2.180 178.446 176.300 -0.056 0.000 1.131 702 R CA 1.898 57.960 56.100 -0.063 0.000 0.955 702 R CB -0.653 29.538 30.300 -0.181 0.000 0.851 702 R HN 0.566 nan 8.270 nan 0.000 0.432 703 C N 0.368 119.598 119.300 -0.116 0.000 2.440 703 C HA 0.000 4.460 4.460 0.001 0.000 0.278 703 C C 2.136 177.110 174.990 -0.026 0.000 1.295 703 C CA 0.456 59.408 59.018 -0.110 0.000 1.738 703 C CB -0.631 26.917 27.740 -0.320 0.000 1.987 703 C HN 0.498 nan 8.230 nan 0.000 0.492 704 L N 0.385 121.613 121.223 0.010 0.000 2.607 704 L HA 0.170 4.510 4.340 0.001 0.000 0.228 704 L C 0.584 177.488 176.870 0.058 0.000 1.123 704 L CA 0.200 55.072 54.840 0.053 0.000 0.890 704 L CB -1.075 41.044 42.059 0.100 0.000 1.103 704 L HN 0.516 nan 8.230 nan 0.000 0.468 705 N N 1.804 120.532 118.700 0.046 0.000 2.671 705 N HA -0.187 4.553 4.740 0.001 0.000 0.261 705 N C -0.406 175.148 175.510 0.074 0.000 1.053 705 N CA -0.151 52.927 53.050 0.047 0.000 0.732 705 N CB -0.444 38.062 38.487 0.032 0.000 0.887 705 N HN 0.324 nan 8.380 nan 0.000 0.546 706 I N 0.893 121.528 120.570 0.108 0.000 2.353 706 I HA 0.188 4.358 4.170 0.001 0.000 0.293 706 I C 0.299 176.508 176.117 0.154 0.000 0.992 706 I CA -0.666 60.715 61.300 0.134 0.000 1.268 706 I CB 1.068 39.180 38.000 0.187 0.000 1.387 706 I HN 0.135 nan 8.210 nan 0.000 0.478 707 D N 5.699 126.177 120.400 0.131 0.000 2.304 707 D HA 0.040 4.681 4.640 0.001 0.000 0.250 707 D C -0.541 175.890 176.300 0.218 0.000 1.107 707 D CA -0.143 53.952 54.000 0.158 0.000 0.885 707 D CB 1.313 42.176 40.800 0.106 0.000 1.192 707 D HN 0.417 nan 8.370 nan 0.000 0.436 708 W N 3.978 125.326 121.300 0.080 0.000 2.238 708 W HA 0.296 4.956 4.660 0.001 0.000 0.321 708 W C -0.967 175.610 176.519 0.097 0.000 1.293 708 W CA -0.443 56.964 57.345 0.103 0.000 1.204 708 W CB 0.492 30.008 29.460 0.092 0.000 1.167 708 W HN 0.264 nan 8.180 nan 0.000 0.553 709 I N 8.952 129.278 120.570 -0.407 0.000 2.354 709 I HA 0.168 4.338 4.170 0.001 0.000 0.286 709 I C -1.792 174.144 176.117 -0.302 0.000 1.007 709 I CA -2.154 58.996 61.300 -0.249 0.000 1.167 709 I CB 1.189 39.059 38.000 -0.217 0.000 1.320 709 I HN 0.103 nan 8.210 nan 0.000 0.458 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.218 63.100 0.197 0.000 0.800 710 P CB 0.000 31.817 31.700 0.194 0.000 0.726