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 1e8n_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 NGGANGGLLV 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 0.000 176.235 176.300 -0.108 0.000 1.140 1 M CA 0.000 55.258 55.300 -0.070 0.000 0.988 1 M CB 0.000 32.556 32.600 -0.073 0.000 1.302 2 L N 1.672 122.788 121.223 -0.179 0.000 2.464 2 L HA 0.298 4.638 4.340 0.001 0.000 0.264 2 L C 0.966 177.669 176.870 -0.279 0.000 1.199 2 L CA 0.359 55.007 54.840 -0.320 0.000 0.818 2 L CB 0.727 42.472 42.059 -0.523 0.000 1.102 2 L HN 0.896 nan 8.230 nan 0.000 0.473 3 S N 0.331 115.849 115.700 -0.303 0.000 2.558 3 S HA 0.143 4.614 4.470 0.001 0.000 0.217 3 S C -0.009 174.608 174.600 0.029 0.000 0.975 3 S CA -0.282 57.884 58.200 -0.056 0.000 0.912 3 S CB -0.208 63.083 63.200 0.152 0.000 0.776 3 S HN 0.514 nan 8.310 nan 0.000 0.526 4 F N -0.715 119.198 119.950 -0.062 0.000 2.789 4 F HA 0.731 5.259 4.527 0.001 0.000 0.319 4 F C -0.994 174.687 175.800 -0.198 0.000 1.168 4 F CA -1.444 56.497 58.000 -0.099 0.000 0.934 4 F CB 1.203 40.152 39.000 -0.084 0.000 1.375 4 F HN -0.055 nan 8.300 nan 0.000 0.480 5 Q N 0.837 120.708 119.800 0.118 0.000 2.353 5 Q HA 0.427 4.768 4.340 0.001 0.000 0.268 5 Q C -1.921 174.131 176.000 0.086 0.000 1.045 5 Q CA -0.900 54.895 55.803 -0.014 0.000 0.811 5 Q CB 1.746 30.495 28.738 0.019 0.000 1.305 5 Q HN 0.685 nan 8.270 nan 0.000 0.447 6 Y N 2.926 123.333 120.300 0.179 0.000 2.411 6 Y HA 0.210 4.760 4.550 0.001 0.000 0.333 6 Y C -1.769 174.175 175.900 0.072 0.000 1.186 6 Y CA -1.559 56.615 58.100 0.124 0.000 1.381 6 Y CB -0.033 38.482 38.460 0.091 0.000 1.273 6 Y HN 0.554 nan 8.280 nan 0.000 0.546 7 P HA 0.002 nan 4.420 nan 0.000 0.269 7 P C -0.886 176.513 177.300 0.165 0.000 1.215 7 P CA -0.135 63.036 63.100 0.118 0.000 0.780 7 P CB 0.584 32.287 31.700 0.005 0.000 0.898 8 D N 1.016 121.516 120.400 0.165 0.000 2.383 8 D HA 0.168 4.808 4.640 0.001 0.000 0.252 8 D C -0.426 176.037 176.300 0.272 0.000 1.166 8 D CA 0.370 54.491 54.000 0.202 0.000 0.879 8 D CB 0.526 41.427 40.800 0.167 0.000 1.164 8 D HN -0.049 nan 8.370 nan 0.000 0.462 9 V N 3.667 123.781 119.914 0.334 0.000 2.482 9 V HA 0.061 4.182 4.120 0.001 0.000 0.295 9 V C -0.369 176.046 176.094 0.536 0.000 1.026 9 V CA -1.101 61.496 62.300 0.495 0.000 0.856 9 V CB 1.134 33.224 31.823 0.446 0.000 1.001 9 V HN 0.410 nan 8.190 nan 0.000 0.424 10 Y N 5.411 125.957 120.300 0.410 0.000 2.712 10 Y HA 0.232 4.782 4.550 0.001 0.000 0.333 10 Y C 0.729 176.872 175.900 0.405 0.000 1.225 10 Y CA 0.197 58.438 58.100 0.236 0.000 1.499 10 Y CB 0.434 38.834 38.460 -0.101 0.000 1.288 10 Y HN 0.556 nan 8.280 nan 0.000 0.575 11 R N 4.695 124.825 120.500 -0.616 0.000 2.265 11 R HA 0.119 4.459 4.340 0.001 0.000 0.328 11 R C -1.167 174.610 176.300 -0.871 0.000 0.969 11 R CA -0.810 54.911 56.100 -0.633 0.000 0.832 11 R CB 0.613 30.556 30.300 -0.595 0.000 1.139 11 R HN 0.609 nan 8.270 nan 0.000 0.457 12 D N 3.121 123.267 120.400 -0.424 0.000 2.453 12 D HA 0.000 4.641 4.640 0.001 0.000 0.223 12 D C 0.498 176.690 176.300 -0.179 0.000 1.183 12 D CA -0.014 53.873 54.000 -0.188 0.000 0.933 12 D CB 0.776 41.661 40.800 0.143 0.000 1.038 12 D HN 0.389 nan 8.370 nan 0.000 0.513 13 E N 1.488 121.567 120.200 -0.203 0.000 2.515 13 E HA -0.097 4.254 4.350 0.001 0.000 0.201 13 E C 1.551 178.114 176.600 -0.062 0.000 1.071 13 E CA 0.593 56.911 56.400 -0.137 0.000 0.880 13 E CB -0.106 29.521 29.700 -0.121 0.000 0.828 13 E HN 0.614 nan 8.360 nan 0.000 0.540 14 T N -2.223 112.312 114.554 -0.032 0.000 3.065 14 T HA 0.248 4.598 4.350 0.001 0.000 0.252 14 T C 1.157 175.857 174.700 -0.001 0.000 1.099 14 T CA 0.232 62.328 62.100 -0.006 0.000 1.063 14 T CB 0.135 69.011 68.868 0.013 0.000 0.948 14 T HN 0.056 nan 8.240 nan 0.000 0.506 15 A N 2.839 125.658 122.820 -0.003 0.000 2.785 15 A HA 0.537 4.857 4.320 0.001 0.000 0.294 15 A C -0.050 177.541 177.584 0.012 0.000 1.597 15 A CA -0.390 51.654 52.037 0.010 0.000 1.283 15 A CB -0.862 18.149 19.000 0.018 0.000 1.088 15 A HN 0.540 nan 8.150 nan 0.000 0.568 16 I N 1.429 122.005 120.570 0.011 0.000 2.498 16 I HA 0.426 4.597 4.170 0.001 0.000 0.290 16 I C -0.084 176.035 176.117 0.003 0.000 1.032 16 I CA -0.246 61.067 61.300 0.022 0.000 1.073 16 I CB 1.617 39.624 38.000 0.011 0.000 1.251 16 I HN 0.744 nan 8.210 nan 0.000 0.426 17 Q N 3.640 123.452 119.800 0.020 0.000 2.347 17 Q HA 0.372 4.713 4.340 0.001 0.000 0.271 17 Q C -1.541 174.403 176.000 -0.094 0.000 1.064 17 Q CA -0.679 55.073 55.803 -0.086 0.000 0.800 17 Q CB 2.833 31.476 28.738 -0.158 0.000 1.304 17 Q HN 0.674 nan 8.270 nan 0.000 0.438 18 D N 2.077 122.352 120.400 -0.208 0.000 2.280 18 D HA 0.208 4.849 4.640 0.001 0.000 0.243 18 D C -1.632 174.423 176.300 -0.408 0.000 1.129 18 D CA -0.031 53.857 54.000 -0.186 0.000 0.848 18 D CB 0.504 41.209 40.800 -0.158 0.000 1.107 18 D HN 0.376 nan 8.370 nan 0.000 0.471 19 Y N 4.078 124.149 120.300 -0.382 0.000 2.587 19 Y HA 0.235 4.785 4.550 0.001 0.000 0.328 19 Y C 0.076 175.537 175.900 -0.732 0.000 0.980 19 Y CA -0.663 56.975 58.100 -0.771 0.000 1.272 19 Y CB 0.410 38.179 38.460 -1.152 0.000 1.094 19 Y HN 0.572 nan 8.280 nan 0.000 0.503 20 H N 1.663 120.569 119.070 -0.272 0.000 2.776 20 H HA -0.227 4.330 4.556 0.001 0.000 0.300 20 H C 1.444 176.712 175.328 -0.100 0.000 1.161 20 H CA 1.084 57.021 56.048 -0.185 0.000 1.147 20 H CB -1.433 28.207 29.762 -0.203 0.000 1.366 20 H HN 1.073 nan 8.280 nan 0.000 0.397 21 G N -0.579 108.204 108.800 -0.029 0.000 2.194 21 G HA2 -0.300 3.660 3.960 0.001 0.000 0.236 21 G HA3 -0.300 3.660 3.960 0.001 0.000 0.236 21 G C -0.034 174.900 174.900 0.058 0.000 0.987 21 G CA 0.467 45.575 45.100 0.013 0.000 0.635 21 G HN 0.871 nan 8.290 nan 0.000 0.520 22 H N 1.415 120.466 119.070 -0.032 0.000 2.519 22 H HA 0.600 5.157 4.556 0.001 0.000 0.316 22 H C -0.011 175.351 175.328 0.056 0.000 1.065 22 H CA -0.798 55.280 56.048 0.050 0.000 1.264 22 H CB 0.524 30.374 29.762 0.147 0.000 1.413 22 H HN -0.088 nan 8.280 nan 0.000 0.465 23 K N 4.726 125.248 120.400 0.203 0.000 2.297 23 K HA 0.226 4.546 4.320 0.001 0.000 0.286 23 K C -0.932 175.861 176.600 0.322 0.000 1.053 23 K CA -0.521 55.880 56.287 0.190 0.000 0.940 23 K CB 1.620 34.165 32.500 0.075 0.000 1.019 23 K HN 0.296 nan 8.250 nan 0.000 0.475 24 V N 3.637 123.732 119.914 0.302 0.000 2.444 24 V HA 0.201 4.322 4.120 0.001 0.000 0.294 24 V C -0.248 175.969 176.094 0.204 0.000 1.022 24 V CA -0.946 61.527 62.300 0.289 0.000 0.850 24 V CB 1.671 33.677 31.823 0.304 0.000 0.992 24 V HN 0.794 nan 8.190 nan 0.000 0.426 25 C N 3.239 122.634 119.300 0.158 0.000 2.388 25 C HA 0.520 4.981 4.460 0.001 0.000 0.362 25 C C 0.444 175.482 174.990 0.081 0.000 1.266 25 C CA -0.384 58.684 59.018 0.083 0.000 2.028 25 C CB 0.592 28.353 27.740 0.034 0.000 2.440 25 C HN 0.897 nan 8.230 nan 0.000 0.547 26 D N 2.699 123.120 120.400 0.034 0.000 2.502 26 D HA 0.262 4.902 4.640 0.001 0.000 0.301 26 D C -1.116 175.112 176.300 -0.119 0.000 1.202 26 D CA -1.438 52.567 54.000 0.009 0.000 0.878 26 D CB 0.691 41.543 40.800 0.085 0.000 1.062 26 D HN 0.309 nan 8.370 nan 0.000 0.499 27 P HA -0.162 nan 4.420 nan 0.000 0.220 27 P C 0.283 177.229 177.300 -0.590 0.000 1.144 27 P CA 0.906 63.695 63.100 -0.518 0.000 0.800 27 P CB 0.074 31.289 31.700 -0.809 0.000 0.772 28 Y N -1.179 119.008 120.300 -0.188 0.000 2.658 28 Y HA 0.511 5.061 4.550 0.001 0.000 0.276 28 Y C 2.252 177.809 175.900 -0.573 0.000 1.167 28 Y CA -0.583 57.194 58.100 -0.538 0.000 1.230 28 Y CB -0.930 37.196 38.460 -0.557 0.000 1.144 28 Y HN -0.068 nan 8.280 nan 0.000 0.529 29 A N 1.144 123.869 122.820 -0.159 0.000 2.024 29 A HA -0.185 4.135 4.320 0.001 0.000 0.220 29 A C 1.889 179.441 177.584 -0.053 0.000 1.164 29 A CA 1.625 53.622 52.037 -0.066 0.000 0.643 29 A CB -1.033 17.990 19.000 0.039 0.000 0.806 29 A HN 0.813 nan 8.150 nan 0.000 0.451 30 W N -0.538 120.767 121.300 0.008 0.000 2.468 30 W HA -0.027 4.633 4.660 0.001 0.000 0.262 30 W C 0.926 177.416 176.519 -0.048 0.000 1.241 30 W CA 0.549 57.894 57.345 -0.000 0.000 1.232 30 W CB -1.018 28.464 29.460 0.037 0.000 1.124 30 W HN 0.242 nan 8.180 nan 0.000 0.597 31 L N 1.168 122.056 121.223 -0.559 0.000 2.551 31 L HA -0.067 4.274 4.340 0.001 0.000 0.228 31 L C 2.148 178.840 176.870 -0.296 0.000 1.153 31 L CA 1.000 55.500 54.840 -0.566 0.000 0.851 31 L CB -0.485 41.013 42.059 -0.935 0.000 0.959 31 L HN -0.018 nan 8.230 nan 0.000 0.451 32 E N -0.577 119.499 120.200 -0.206 0.000 2.347 32 E HA -0.141 4.210 4.350 0.001 0.000 0.196 32 E C 0.409 176.931 176.600 -0.131 0.000 1.008 32 E CA 0.296 56.575 56.400 -0.202 0.000 0.852 32 E CB 0.087 29.712 29.700 -0.124 0.000 0.783 32 E HN 0.225 nan 8.360 nan 0.000 0.505 33 D N 0.555 120.931 120.400 -0.041 0.000 2.396 33 D HA 0.035 4.675 4.640 0.001 0.000 0.225 33 D C -1.622 174.674 176.300 -0.006 0.000 1.121 33 D CA -2.571 51.429 54.000 -0.001 0.000 0.853 33 D CB 1.215 42.049 40.800 0.056 0.000 1.043 33 D HN -0.117 nan 8.370 nan 0.000 0.500 34 P HA -0.034 nan 4.420 nan 0.000 0.223 34 P C 0.213 177.514 177.300 0.002 0.000 1.151 34 P CA 0.611 63.695 63.100 -0.027 0.000 0.787 34 P CB 0.653 32.320 31.700 -0.054 0.000 0.788 35 D N -0.206 120.200 120.400 0.010 0.000 2.354 35 D HA -0.002 4.639 4.640 0.001 0.000 0.209 35 D C 1.019 177.338 176.300 0.032 0.000 1.015 35 D CA 0.393 54.403 54.000 0.017 0.000 0.867 35 D CB 0.039 40.845 40.800 0.010 0.000 0.933 35 D HN 0.257 nan 8.370 nan 0.000 0.520 36 S N 0.774 116.504 115.700 0.051 0.000 2.579 36 S HA 0.055 4.526 4.470 0.001 0.000 0.275 36 S C 1.231 175.870 174.600 0.066 0.000 1.345 36 S CA -0.411 57.824 58.200 0.058 0.000 1.031 36 S CB 1.879 65.132 63.200 0.089 0.000 0.892 36 S HN -0.121 nan 8.310 nan 0.000 0.529 37 E N 1.677 121.903 120.200 0.042 0.000 2.204 37 E HA -0.132 4.219 4.350 0.001 0.000 0.194 37 E C 1.996 178.637 176.600 0.070 0.000 0.989 37 E CA 1.173 57.598 56.400 0.042 0.000 0.824 37 E CB -0.383 29.325 29.700 0.013 0.000 0.756 37 E HN 0.783 nan 8.360 nan 0.000 0.477 38 Q N -0.125 119.714 119.800 0.064 0.000 2.084 38 Q HA -0.068 4.273 4.340 0.001 0.000 0.202 38 Q C 2.193 178.401 176.000 0.346 0.000 0.978 38 Q CA 1.844 57.702 55.803 0.092 0.000 0.844 38 Q CB -0.457 28.211 28.738 -0.117 0.000 0.898 38 Q HN 0.156 nan 8.270 nan 0.000 0.426 39 T N 0.586 115.343 114.554 0.338 0.000 2.812 39 T HA -0.066 4.284 4.350 0.001 0.000 0.264 39 T C 1.504 176.355 174.700 0.251 0.000 1.042 39 T CA 1.016 63.297 62.100 0.301 0.000 1.140 39 T CB -0.070 68.889 68.868 0.152 0.000 0.870 39 T HN 0.191 nan 8.240 nan 0.000 0.445 40 K N 1.196 121.697 120.400 0.169 0.000 2.097 40 K HA 0.013 4.334 4.320 0.001 0.000 0.206 40 K C 2.603 179.289 176.600 0.143 0.000 1.049 40 K CA 1.212 57.575 56.287 0.127 0.000 0.933 40 K CB -0.242 32.307 32.500 0.081 0.000 0.717 40 K HN 0.273 nan 8.250 nan 0.000 0.442 41 A N 0.901 123.819 122.820 0.164 0.000 1.969 41 A HA -0.149 4.171 4.320 0.001 0.000 0.218 41 A C 1.942 179.641 177.584 0.192 0.000 1.169 41 A CA 0.940 53.064 52.037 0.145 0.000 0.635 41 A CB -0.571 18.504 19.000 0.126 0.000 0.810 41 A HN 0.368 nan 8.150 nan 0.000 0.445 42 F N 0.704 120.731 119.950 0.129 0.000 2.102 42 F HA -0.142 4.385 4.527 0.001 0.000 0.298 42 F C 2.153 177.980 175.800 0.045 0.000 1.105 42 F CA 1.986 60.059 58.000 0.120 0.000 1.239 42 F CB -0.293 38.809 39.000 0.171 0.000 0.991 42 F HN 0.021 nan 8.300 nan 0.000 0.474 43 V N 0.667 120.727 119.914 0.244 0.000 2.343 43 V HA -0.259 3.861 4.120 0.001 0.000 0.247 43 V C 2.469 178.537 176.094 -0.043 0.000 1.051 43 V CA 2.132 64.475 62.300 0.073 0.000 1.036 43 V CB -0.686 31.202 31.823 0.109 0.000 0.654 43 V HN 0.301 nan 8.190 nan 0.000 0.451 44 E N 0.342 120.543 120.200 0.001 0.000 2.077 44 E HA -0.181 4.170 4.350 0.001 0.000 0.193 44 E C 2.371 178.942 176.600 -0.048 0.000 0.989 44 E CA 1.563 57.955 56.400 -0.013 0.000 0.800 44 E CB -0.577 29.133 29.700 0.017 0.000 0.746 44 E HN 0.572 nan 8.360 nan 0.000 0.452 45 A N 1.359 124.136 122.820 -0.071 0.000 1.933 45 A HA -0.199 4.121 4.320 0.001 0.000 0.218 45 A C 2.119 179.607 177.584 -0.160 0.000 1.175 45 A CA 1.257 53.238 52.037 -0.093 0.000 0.628 45 A CB -0.274 18.679 19.000 -0.080 0.000 0.814 45 A HN 0.119 nan 8.150 nan 0.000 0.444 46 Q N -0.111 119.522 119.800 -0.278 0.000 2.049 46 Q HA -0.108 4.232 4.340 0.001 0.000 0.198 46 Q C 1.708 177.613 176.000 -0.158 0.000 0.971 46 Q CA 1.301 56.934 55.803 -0.283 0.000 0.833 46 Q CB -0.551 27.929 28.738 -0.431 0.000 0.896 46 Q HN 0.625 nan 8.270 nan 0.000 0.434 47 N N 1.205 119.839 118.700 -0.109 0.000 2.223 47 N HA -0.142 4.598 4.740 0.001 0.000 0.185 47 N C 1.553 177.054 175.510 -0.014 0.000 1.016 47 N CA 0.905 53.941 53.050 -0.022 0.000 0.863 47 N CB -0.154 38.323 38.487 -0.016 0.000 0.983 47 N HN 0.247 nan 8.380 nan 0.000 0.429 48 K N 0.881 121.257 120.400 -0.041 0.000 2.209 48 K HA -0.061 4.260 4.320 0.001 0.000 0.204 48 K C 1.827 178.397 176.600 -0.050 0.000 1.048 48 K CA 0.930 57.200 56.287 -0.028 0.000 0.940 48 K CB 0.045 32.531 32.500 -0.023 0.000 0.729 48 K HN 0.351 nan 8.250 nan 0.000 0.451 49 I N -3.826 116.677 120.570 -0.112 0.000 3.081 49 I HA 0.031 4.202 4.170 0.001 0.000 0.274 49 I C 1.587 177.544 176.117 -0.266 0.000 1.178 49 I CA 0.312 61.480 61.300 -0.220 0.000 1.460 49 I CB -0.177 37.603 38.000 -0.368 0.000 1.137 49 I HN -0.159 nan 8.210 nan 0.000 0.443 50 T N 1.789 116.236 114.554 -0.179 0.000 2.737 50 T HA -0.046 4.305 4.350 0.001 0.000 0.265 50 T C 2.120 176.830 174.700 0.016 0.000 1.038 50 T CA 1.699 63.740 62.100 -0.098 0.000 1.144 50 T CB -0.237 68.600 68.868 -0.052 0.000 0.866 50 T HN 0.185 nan 8.240 nan 0.000 0.434 51 V N 2.288 122.212 119.914 0.017 0.000 2.287 51 V HA -0.118 4.003 4.120 0.001 0.000 0.248 51 V C -0.496 175.615 176.094 0.028 0.000 1.053 51 V CA 1.771 64.079 62.300 0.013 0.000 1.027 51 V CB -1.576 30.264 31.823 0.027 0.000 0.646 51 V HN 0.365 nan 8.190 nan 0.000 0.447 52 P HA -0.143 nan 4.420 nan 0.000 0.218 52 P C 1.681 179.025 177.300 0.074 0.000 1.149 52 P CA 1.257 64.383 63.100 0.043 0.000 0.817 52 P CB -0.099 31.629 31.700 0.047 0.000 0.785 53 F N 0.100 120.032 119.950 -0.029 0.000 2.146 53 F HA -0.116 4.412 4.527 0.001 0.000 0.298 53 F C 1.814 177.647 175.800 0.055 0.000 1.096 53 F CA 1.403 59.419 58.000 0.027 0.000 1.275 53 F CB -0.606 38.392 39.000 -0.004 0.000 1.008 53 F HN -0.256 nan 8.300 nan 0.000 0.480 54 L N -0.298 121.028 121.223 0.172 0.000 2.217 54 L HA -0.102 4.238 4.340 0.001 0.000 0.211 54 L C 1.611 178.469 176.870 -0.020 0.000 1.107 54 L CA 1.238 56.132 54.840 0.091 0.000 0.783 54 L CB -0.516 41.591 42.059 0.080 0.000 0.919 54 L HN 0.163 nan 8.230 nan 0.000 0.442 55 E N -0.766 119.416 120.200 -0.029 0.000 2.481 55 E HA -0.078 4.272 4.350 0.001 0.000 0.198 55 E C 1.643 178.210 176.600 -0.056 0.000 1.027 55 E CA -0.152 56.224 56.400 -0.040 0.000 0.900 55 E CB 0.402 30.087 29.700 -0.025 0.000 0.993 55 E HN 0.425 nan 8.360 nan 0.000 0.482 56 Q N 0.454 120.203 119.800 -0.086 0.000 2.050 56 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 56 Q C 0.434 176.383 176.000 -0.085 0.000 0.980 56 Q CA 1.011 56.763 55.803 -0.085 0.000 0.840 56 Q CB 0.194 28.861 28.738 -0.118 0.000 0.898 56 Q HN 0.221 nan 8.270 nan 0.000 0.424 57 C N 2.498 121.732 119.300 -0.111 0.000 2.536 57 C HA 0.196 4.657 4.460 0.001 0.000 0.396 57 C C -0.994 173.955 174.990 -0.069 0.000 1.279 57 C CA -1.334 57.634 59.018 -0.083 0.000 2.148 57 C CB 0.766 28.453 27.740 -0.089 0.000 2.584 57 C HN 0.513 nan 8.230 nan 0.000 0.579 58 P HA -0.112 nan 4.420 nan 0.000 0.228 58 P C 1.346 178.568 177.300 -0.130 0.000 1.151 58 P CA 1.113 64.161 63.100 -0.087 0.000 0.770 58 P CB 0.029 31.681 31.700 -0.079 0.000 0.786 59 I N 0.025 120.537 120.570 -0.096 0.000 2.335 59 I HA -0.233 3.938 4.170 0.001 0.000 0.251 59 I C 2.753 178.809 176.117 -0.102 0.000 1.129 59 I CA 1.153 62.386 61.300 -0.111 0.000 1.402 59 I CB -0.104 37.926 38.000 0.051 0.000 1.069 59 I HN -0.175 nan 8.210 nan 0.000 0.424 60 R N 0.415 120.886 120.500 -0.049 0.000 2.081 60 R HA -0.150 4.190 4.340 0.001 0.000 0.235 60 R C 2.219 178.500 176.300 -0.032 0.000 1.131 60 R CA 1.633 57.727 56.100 -0.010 0.000 0.960 60 R CB -0.604 29.687 30.300 -0.015 0.000 0.856 60 R HN 0.489 nan 8.270 nan 0.000 0.436 61 G N 0.804 109.547 108.800 -0.094 0.000 2.402 61 G HA2 -0.200 3.760 3.960 0.001 0.000 0.216 61 G HA3 -0.200 3.760 3.960 0.001 0.000 0.216 61 G C 1.455 176.232 174.900 -0.205 0.000 1.162 61 G CA 0.477 45.510 45.100 -0.112 0.000 0.777 61 G HN 0.224 nan 8.290 nan 0.000 0.539 62 L N -1.095 119.897 121.223 -0.385 0.000 2.046 62 L HA -0.066 4.274 4.340 0.001 0.000 0.208 62 L C 2.565 178.982 176.870 -0.754 0.000 1.077 62 L CA 1.209 55.608 54.840 -0.735 0.000 0.747 62 L CB -0.463 40.777 42.059 -1.365 0.000 0.896 62 L HN 0.271 nan 8.230 nan 0.000 0.432 63 Y N 0.951 120.867 120.300 -0.640 0.000 2.163 63 Y HA -0.296 4.254 4.550 0.001 0.000 0.288 63 Y C 2.749 178.605 175.900 -0.074 0.000 1.136 63 Y CA 1.868 59.837 58.100 -0.219 0.000 1.147 63 Y CB -0.097 38.379 38.460 0.027 0.000 0.987 63 Y HN -0.002 nan 8.280 nan 0.000 0.509 64 K N 0.368 120.847 120.400 0.133 0.000 2.103 64 K HA -0.274 4.046 4.320 0.001 0.000 0.207 64 K C 2.211 178.802 176.600 -0.014 0.000 1.048 64 K CA 1.902 58.246 56.287 0.096 0.000 0.930 64 K CB -0.283 32.258 32.500 0.068 0.000 0.716 64 K HN 0.534 nan 8.250 nan 0.000 0.444 65 E N 0.102 120.256 120.200 -0.076 0.000 2.072 65 E HA -0.235 4.115 4.350 0.001 0.000 0.191 65 E C 2.123 178.682 176.600 -0.067 0.000 0.985 65 E CA 0.951 57.309 56.400 -0.071 0.000 0.801 65 E CB 0.026 29.666 29.700 -0.100 0.000 0.750 65 E HN 0.091 nan 8.360 nan 0.000 0.452 66 R N 0.264 120.694 120.500 -0.117 0.000 2.092 66 R HA -0.094 4.246 4.340 0.001 0.000 0.231 66 R C 2.203 178.445 176.300 -0.098 0.000 1.119 66 R CA 1.575 57.616 56.100 -0.098 0.000 0.970 66 R CB -0.479 29.759 30.300 -0.103 0.000 0.864 66 R HN 0.251 nan 8.270 nan 0.000 0.440 67 M N -0.417 119.078 119.600 -0.175 0.000 2.117 67 M HA -0.086 4.394 4.480 0.001 0.000 0.262 67 M C 1.677 178.012 176.300 0.059 0.000 1.065 67 M CA 2.020 57.262 55.300 -0.097 0.000 1.114 67 M CB -0.586 31.956 32.600 -0.096 0.000 1.361 67 M HN 0.124 nan 8.290 nan 0.000 0.408 68 T N 0.463 115.046 114.554 0.049 0.000 2.788 68 T HA -0.138 4.212 4.350 0.001 0.000 0.268 68 T C 1.627 176.386 174.700 0.098 0.000 1.044 68 T CA 1.834 63.987 62.100 0.088 0.000 1.139 68 T CB -0.282 68.616 68.868 0.051 0.000 0.867 68 T HN 0.542 nan 8.240 nan 0.000 0.454 69 E N 0.697 120.937 120.200 0.068 0.000 2.028 69 E HA 0.016 4.367 4.350 0.001 0.000 0.190 69 E C 2.283 178.954 176.600 0.119 0.000 0.984 69 E CA 0.804 57.249 56.400 0.075 0.000 0.800 69 E CB -0.211 29.519 29.700 0.050 0.000 0.758 69 E HN 0.373 nan 8.360 nan 0.000 0.448 70 L N -0.036 121.267 121.223 0.133 0.000 2.093 70 L HA -0.157 4.183 4.340 0.001 0.000 0.208 70 L C 2.435 179.511 176.870 0.344 0.000 1.085 70 L CA 0.849 55.802 54.840 0.189 0.000 0.755 70 L CB -0.309 41.834 42.059 0.140 0.000 0.904 70 L HN 0.208 nan 8.230 nan 0.000 0.435 71 Y N 0.649 121.062 120.300 0.188 0.000 2.571 71 Y HA -0.114 4.436 4.550 0.001 0.000 0.294 71 Y C 1.024 177.000 175.900 0.127 0.000 1.141 71 Y CA 0.206 58.446 58.100 0.233 0.000 1.308 71 Y CB -0.277 38.242 38.460 0.099 0.000 1.002 71 Y HN 0.091 nan 8.280 nan 0.000 0.551 72 D N 1.134 121.602 120.400 0.114 0.000 2.551 72 D HA 0.059 4.700 4.640 0.001 0.000 0.223 72 D C -1.275 175.060 176.300 0.058 0.000 1.144 72 D CA 0.172 54.164 54.000 -0.013 0.000 1.025 72 D CB -1.187 39.636 40.800 0.040 0.000 1.085 72 D HN 0.343 nan 8.370 nan 0.000 0.506 73 Y N -0.169 120.056 120.300 -0.125 0.000 2.534 73 Y HA 0.631 5.181 4.550 0.001 0.000 0.345 73 Y C -2.917 172.932 175.900 -0.085 0.000 1.031 73 Y CA -2.985 55.077 58.100 -0.063 0.000 1.022 73 Y CB 0.759 39.207 38.460 -0.020 0.000 1.292 73 Y HN -0.069 nan 8.280 nan 0.000 0.459 74 P HA 0.104 nan 4.420 nan 0.000 0.267 74 P C -1.363 175.979 177.300 0.071 0.000 1.209 74 P CA 0.045 63.174 63.100 0.049 0.000 0.763 74 P CB 0.939 32.816 31.700 0.294 0.000 0.816 75 K N 3.640 123.954 120.400 -0.142 0.000 2.394 75 K HA 0.419 4.740 4.320 0.001 0.000 0.260 75 K C -0.728 175.931 176.600 0.098 0.000 0.967 75 K CA -0.490 55.791 56.287 -0.010 0.000 0.855 75 K CB 1.152 33.535 32.500 -0.195 0.000 1.101 75 K HN 0.383 nan 8.250 nan 0.000 0.433 76 Y N 0.271 120.727 120.300 0.261 0.000 2.468 76 Y HA 0.293 4.844 4.550 0.001 0.000 0.342 76 Y C 0.746 176.816 175.900 0.282 0.000 1.021 76 Y CA -0.706 57.579 58.100 0.309 0.000 1.079 76 Y CB 2.049 40.616 38.460 0.178 0.000 1.226 76 Y HN 0.582 nan 8.280 nan 0.000 0.460 77 S N 0.705 116.728 115.700 0.538 0.000 2.722 77 S HA 0.641 5.111 4.470 0.001 0.000 0.292 77 S C -0.133 174.723 174.600 0.426 0.000 1.135 77 S CA -0.971 57.502 58.200 0.456 0.000 1.003 77 S CB 0.578 64.121 63.200 0.571 0.000 1.067 77 S HN 0.818 nan 8.310 nan 0.000 0.546 78 C N 0.876 120.386 119.300 0.351 0.000 2.595 78 C HA 0.570 5.030 4.460 0.001 0.000 0.384 78 C C 0.592 175.697 174.990 0.191 0.000 1.289 78 C CA -0.821 58.350 59.018 0.255 0.000 2.372 78 C CB -1.348 26.545 27.740 0.255 0.000 2.593 78 C HN 0.896 nan 8.230 nan 0.000 0.639 79 H N 0.650 119.431 119.070 -0.482 0.000 2.690 79 H HA 0.527 5.083 4.556 0.001 0.000 0.365 79 H C -0.102 174.997 175.328 -0.382 0.000 1.142 79 H CA 0.334 56.006 56.048 -0.626 0.000 1.417 79 H CB 0.306 29.231 29.762 -1.394 0.000 1.446 79 H HN 0.714 nan 8.280 nan 0.000 0.599 80 F N -0.944 118.947 119.950 -0.098 0.000 2.591 80 F HA 0.511 5.039 4.527 0.001 0.000 0.309 80 F C -0.807 174.974 175.800 -0.031 0.000 1.098 80 F CA -1.280 56.711 58.000 -0.016 0.000 0.937 80 F CB 1.305 40.322 39.000 0.028 0.000 1.250 80 F HN 0.255 nan 8.300 nan 0.000 0.447 81 K N 2.617 123.034 120.400 0.027 0.000 2.138 81 K HA 0.540 4.861 4.320 0.001 0.000 0.263 81 K C -1.194 175.321 176.600 -0.142 0.000 0.965 81 K CA -0.823 55.288 56.287 -0.293 0.000 0.868 81 K CB 1.008 33.215 32.500 -0.487 0.000 1.083 81 K HN 0.646 nan 8.250 nan 0.000 0.443 82 K N 2.401 122.670 120.400 -0.218 0.000 2.578 82 K HA 0.288 4.608 4.320 0.001 0.000 0.250 82 K C -0.006 176.497 176.600 -0.161 0.000 0.955 82 K CA -0.117 56.020 56.287 -0.251 0.000 0.825 82 K CB 1.464 33.518 32.500 -0.743 0.000 1.151 82 K HN 0.955 nan 8.250 nan 0.000 0.432 83 G N 3.599 112.328 108.800 -0.118 0.000 2.583 83 G HA2 -0.391 3.569 3.960 0.001 0.000 0.292 83 G HA3 -0.391 3.569 3.960 0.001 0.000 0.292 83 G C 0.352 175.183 174.900 -0.116 0.000 1.203 83 G CA 0.348 45.398 45.100 -0.083 0.000 0.987 83 G HN 0.580 nan 8.290 nan 0.000 0.554 84 K N 1.063 121.404 120.400 -0.099 0.000 2.404 84 K HA 0.229 4.549 4.320 0.001 0.000 0.194 84 K C 1.159 177.661 176.600 -0.163 0.000 1.023 84 K CA 0.329 56.553 56.287 -0.107 0.000 1.094 84 K CB 0.341 32.806 32.500 -0.059 0.000 0.841 84 K HN 0.413 nan 8.250 nan 0.000 0.523 85 R N -0.123 120.236 120.500 -0.235 0.000 2.854 85 R HA 0.379 4.720 4.340 0.001 0.000 0.271 85 R C -1.049 174.919 176.300 -0.552 0.000 0.996 85 R CA -0.888 54.997 56.100 -0.358 0.000 0.961 85 R CB 1.023 31.032 30.300 -0.486 0.000 1.182 85 R HN -0.097 nan 8.270 nan 0.000 0.479 86 Y N 0.394 120.378 120.300 -0.527 0.000 2.420 86 Y HA 0.463 5.014 4.550 0.001 0.000 0.334 86 Y C -0.411 174.895 175.900 -0.990 0.000 1.094 86 Y CA -0.317 57.481 58.100 -0.503 0.000 1.126 86 Y CB 1.190 39.528 38.460 -0.204 0.000 1.217 86 Y HN 0.344 nan 8.280 nan 0.000 0.462 87 F N 1.888 121.366 119.950 -0.787 0.000 2.588 87 F HA 0.610 5.137 4.527 0.001 0.000 0.314 87 F C -0.998 174.206 175.800 -0.993 0.000 1.069 87 F CA -1.365 55.988 58.000 -1.077 0.000 0.931 87 F CB 1.909 39.947 39.000 -1.603 0.000 1.260 87 F HN 0.411 nan 8.300 nan 0.000 0.465 88 Y N -0.707 119.246 120.300 -0.578 0.000 2.604 88 Y HA 0.688 5.238 4.550 0.001 0.000 0.331 88 Y C -2.188 173.660 175.900 -0.087 0.000 1.158 88 Y CA -2.229 55.695 58.100 -0.293 0.000 1.056 88 Y CB 0.636 38.845 38.460 -0.419 0.000 1.330 88 Y HN 0.388 nan 8.280 nan 0.000 0.457 89 F N 3.050 123.220 119.950 0.367 0.000 2.399 89 F HA 0.604 5.132 4.527 0.001 0.000 0.334 89 F C -0.540 175.520 175.800 0.433 0.000 1.097 89 F CA -0.435 57.756 58.000 0.318 0.000 1.076 89 F CB 1.410 40.572 39.000 0.270 0.000 1.162 89 F HN 0.617 nan 8.300 nan 0.000 0.495 90 Y N 3.110 123.625 120.300 0.358 0.000 2.482 90 Y HA 0.388 4.938 4.550 0.001 0.000 0.334 90 Y C -1.801 174.130 175.900 0.052 0.000 1.091 90 Y CA -1.433 56.705 58.100 0.063 0.000 1.027 90 Y CB 1.390 39.755 38.460 -0.158 0.000 1.306 90 Y HN 0.587 nan 8.280 nan 0.000 0.446 91 N N 3.056 121.414 118.700 -0.570 0.000 2.399 91 N HA 0.174 4.914 4.740 0.001 0.000 0.284 91 N C 0.511 175.470 175.510 -0.920 0.000 1.025 91 N CA 0.289 52.992 53.050 -0.578 0.000 0.885 91 N CB 2.012 40.319 38.487 -0.299 0.000 1.339 91 N HN 0.875 nan 8.380 nan 0.000 0.487 92 T N 0.396 114.418 114.554 -0.887 0.000 2.822 92 T HA 0.043 4.394 4.350 0.001 0.000 0.270 92 T C 1.179 175.669 174.700 -0.349 0.000 1.064 92 T CA 1.661 63.396 62.100 -0.607 0.000 1.131 92 T CB 0.050 68.739 68.868 -0.298 0.000 0.858 92 T HN 0.652 nan 8.240 nan 0.000 0.483 93 G N 0.599 109.186 108.800 -0.356 0.000 4.366 93 G HA2 0.087 4.047 3.960 0.001 0.000 0.194 93 G HA3 0.087 4.047 3.960 0.001 0.000 0.194 93 G C 0.607 175.320 174.900 -0.312 0.000 1.275 93 G CA -0.034 44.858 45.100 -0.346 0.000 0.847 93 G HN 0.424 nan 8.290 nan 0.000 0.299 94 L N 1.772 122.894 121.223 -0.167 0.000 2.959 94 L HA 0.371 4.712 4.340 0.001 0.000 0.259 94 L C 0.658 177.502 176.870 -0.045 0.000 1.185 94 L CA -0.147 54.654 54.840 -0.065 0.000 0.998 94 L CB 0.740 42.793 42.059 -0.009 0.000 1.337 94 L HN 0.232 nan 8.230 nan 0.000 0.555 95 Q N 0.485 120.231 119.800 -0.090 0.000 2.395 95 Q HA -0.001 4.339 4.340 0.001 0.000 0.271 95 Q C 0.569 176.555 176.000 -0.024 0.000 1.026 95 Q CA -0.172 55.595 55.803 -0.061 0.000 0.900 95 Q CB 0.783 29.467 28.738 -0.090 0.000 1.266 95 Q HN 0.179 nan 8.270 nan 0.000 0.430 96 N N 0.839 119.536 118.700 -0.005 0.000 2.166 96 N HA -0.117 4.624 4.740 0.001 0.000 0.186 96 N C -0.171 175.349 175.510 0.017 0.000 1.019 96 N CA 1.288 54.347 53.050 0.015 0.000 0.856 96 N CB 0.335 38.830 38.487 0.013 0.000 0.993 96 N HN 0.490 nan 8.380 nan 0.000 0.426 97 Q N 0.382 120.186 119.800 0.006 0.000 2.372 97 Q HA 0.250 4.591 4.340 0.001 0.000 0.273 97 Q C -0.387 175.622 176.000 0.016 0.000 1.078 97 Q CA -0.568 55.245 55.803 0.017 0.000 0.806 97 Q CB 2.716 31.470 28.738 0.025 0.000 1.332 97 Q HN 0.336 nan 8.270 nan 0.000 0.435 98 R N -0.456 120.066 120.500 0.037 0.000 2.694 98 R HA 0.513 4.853 4.340 0.001 0.000 0.268 98 R C -0.393 176.014 176.300 0.178 0.000 1.061 98 R CA -0.443 55.709 56.100 0.085 0.000 1.133 98 R CB 0.225 30.595 30.300 0.116 0.000 1.020 98 R HN 0.186 nan 8.270 nan 0.000 0.475 99 V N 3.065 123.100 119.914 0.201 0.000 2.547 99 V HA 0.220 4.341 4.120 0.001 0.000 0.299 99 V C -0.351 175.812 176.094 0.114 0.000 1.040 99 V CA -1.114 61.246 62.300 0.101 0.000 0.913 99 V CB 1.489 33.268 31.823 -0.073 0.000 0.992 99 V HN 0.594 nan 8.190 nan 0.000 0.449 100 L N 5.470 126.614 121.223 -0.132 0.000 2.265 100 L HA 0.513 4.854 4.340 0.001 0.000 0.288 100 L C -0.940 175.664 176.870 -0.444 0.000 1.058 100 L CA 0.263 54.850 54.840 -0.422 0.000 0.809 100 L CB 0.168 41.954 42.059 -0.454 0.000 1.179 100 L HN 0.522 nan 8.230 nan 0.000 0.429 101 Y N 3.540 123.493 120.300 -0.578 0.000 2.496 101 Y HA 0.714 5.264 4.550 0.001 0.000 0.331 101 Y C -0.116 175.370 175.900 -0.689 0.000 1.140 101 Y CA -0.512 57.210 58.100 -0.630 0.000 1.166 101 Y CB 2.026 39.860 38.460 -1.044 0.000 1.249 101 Y HN 0.407 nan 8.280 nan 0.000 0.479 102 V N 2.752 122.422 119.914 -0.406 0.000 2.841 102 V HA 0.583 4.703 4.120 0.001 0.000 0.310 102 V C -1.772 174.075 176.094 -0.411 0.000 1.090 102 V CA -0.471 61.400 62.300 -0.716 0.000 0.930 102 V CB 1.997 33.305 31.823 -0.858 0.000 1.014 102 V HN 0.884 nan 8.190 nan 0.000 0.425 103 Q N 3.205 122.750 119.800 -0.424 0.000 2.315 103 Q HA 0.501 4.841 4.340 0.001 0.000 0.273 103 Q C -1.082 174.814 176.000 -0.174 0.000 1.053 103 Q CA -0.865 54.826 55.803 -0.186 0.000 0.817 103 Q CB 2.242 30.956 28.738 -0.040 0.000 1.326 103 Q HN 0.603 nan 8.270 nan 0.000 0.423 104 D N 0.912 121.246 120.400 -0.111 0.000 2.363 104 D HA 0.003 4.644 4.640 0.001 0.000 0.220 104 D C 0.106 176.422 176.300 0.026 0.000 0.994 104 D CA 0.963 54.921 54.000 -0.070 0.000 0.890 104 D CB 0.668 41.430 40.800 -0.063 0.000 0.906 104 D HN 0.477 nan 8.370 nan 0.000 0.530 105 S N -0.627 115.100 115.700 0.045 0.000 2.570 105 S HA 0.190 4.660 4.470 0.001 0.000 0.270 105 S C 0.162 174.704 174.600 -0.098 0.000 1.149 105 S CA -0.707 57.523 58.200 0.050 0.000 0.837 105 S CB 1.226 64.425 63.200 -0.001 0.000 1.124 105 S HN -0.128 nan 8.310 nan 0.000 0.465 106 L N 2.672 123.709 121.223 -0.310 0.000 2.191 106 L HA 0.214 4.555 4.340 0.001 0.000 0.212 106 L C 1.839 178.570 176.870 -0.232 0.000 1.103 106 L CA 2.025 56.565 54.840 -0.501 0.000 0.769 106 L CB -0.497 41.218 42.059 -0.572 0.000 0.908 106 L HN 0.851 nan 8.230 nan 0.000 0.438 107 E N -1.415 118.694 120.200 -0.153 0.000 2.476 107 E HA 0.180 4.531 4.350 0.001 0.000 0.199 107 E C 1.021 177.568 176.600 -0.090 0.000 1.021 107 E CA 0.250 56.578 56.400 -0.119 0.000 0.907 107 E CB 0.113 29.756 29.700 -0.095 0.000 0.974 107 E HN 0.462 nan 8.360 nan 0.000 0.489 108 G N 2.321 111.078 108.800 -0.071 0.000 2.606 108 G HA2 0.067 4.028 3.960 0.001 0.000 0.252 108 G HA3 0.067 4.028 3.960 0.001 0.000 0.252 108 G C -0.191 174.683 174.900 -0.043 0.000 1.206 108 G CA -0.516 44.554 45.100 -0.050 0.000 0.861 108 G HN 0.145 nan 8.290 nan 0.000 0.561 109 E N -0.149 120.031 120.200 -0.033 0.000 2.360 109 E HA 0.491 4.841 4.350 0.001 0.000 0.269 109 E C 0.271 176.872 176.600 0.000 0.000 1.022 109 E CA -0.485 55.903 56.400 -0.019 0.000 0.887 109 E CB 1.024 30.715 29.700 -0.016 0.000 0.990 109 E HN 0.483 nan 8.360 nan 0.000 0.426 110 A N 3.732 126.574 122.820 0.036 0.000 2.286 110 A HA 0.541 4.862 4.320 0.001 0.000 0.286 110 A C -0.138 177.510 177.584 0.106 0.000 1.097 110 A CA -0.759 51.324 52.037 0.077 0.000 0.821 110 A CB 0.562 19.667 19.000 0.176 0.000 1.076 110 A HN 0.843 nan 8.150 nan 0.000 0.490 111 R N 0.142 120.701 120.500 0.098 0.000 2.740 111 R HA 0.607 4.947 4.340 0.001 0.000 0.273 111 R C -1.698 174.587 176.300 -0.025 0.000 0.998 111 R CA -0.830 55.313 56.100 0.072 0.000 0.900 111 R CB 0.997 31.298 30.300 0.002 0.000 1.223 111 R HN 0.317 nan 8.270 nan 0.000 0.466 112 V N 3.203 123.017 119.914 -0.166 0.000 2.557 112 V HA -0.046 4.074 4.120 0.001 0.000 0.301 112 V C 0.411 176.355 176.094 -0.251 0.000 1.026 112 V CA 0.611 62.633 62.300 -0.462 0.000 1.137 112 V CB 0.058 31.657 31.823 -0.374 0.000 0.917 112 V HN 0.735 nan 8.190 nan 0.000 0.484 113 F N 5.630 125.312 119.950 -0.447 0.000 2.399 113 F HA 0.461 4.989 4.527 0.001 0.000 0.282 113 F C 0.320 175.925 175.800 -0.325 0.000 1.027 113 F CA 0.308 58.112 58.000 -0.326 0.000 1.333 113 F CB 0.586 39.413 39.000 -0.289 0.000 1.132 113 F HN 0.352 nan 8.300 nan 0.000 0.590 114 L N 1.311 122.286 121.223 -0.414 0.000 2.482 114 L HA 0.379 4.720 4.340 0.001 0.000 0.269 114 L C -1.820 174.890 176.870 -0.267 0.000 0.967 114 L CA -0.366 54.218 54.840 -0.427 0.000 0.851 114 L CB 1.212 43.012 42.059 -0.432 0.000 1.242 114 L HN -0.004 nan 8.230 nan 0.000 0.404 115 D N 6.263 126.526 120.400 -0.229 0.000 2.472 115 D HA 0.466 5.106 4.640 0.001 0.000 0.234 115 D C -2.051 174.196 176.300 -0.088 0.000 1.088 115 D CA -2.004 51.904 54.000 -0.153 0.000 0.882 115 D CB 2.069 42.773 40.800 -0.160 0.000 1.037 115 D HN 0.320 nan 8.370 nan 0.000 0.520 116 P HA -0.016 nan 4.420 nan 0.000 0.226 116 P C 1.093 178.390 177.300 -0.004 0.000 1.153 116 P CA 0.422 63.520 63.100 -0.003 0.000 0.777 116 P CB 0.360 32.083 31.700 0.037 0.000 0.794 117 N N 0.347 119.037 118.700 -0.017 0.000 2.205 117 N HA -0.123 4.618 4.740 0.001 0.000 0.186 117 N C 1.642 177.142 175.510 -0.016 0.000 1.015 117 N CA 1.251 54.292 53.050 -0.015 0.000 0.862 117 N CB -0.463 38.010 38.487 -0.023 0.000 0.986 117 N HN 0.336 nan 8.380 nan 0.000 0.429 118 I N -1.716 118.838 120.570 -0.026 0.000 3.444 118 I HA 0.009 4.179 4.170 0.001 0.000 0.287 118 I C 1.305 177.415 176.117 -0.012 0.000 1.302 118 I CA 0.568 61.855 61.300 -0.023 0.000 1.368 118 I CB -0.274 37.704 38.000 -0.035 0.000 1.048 118 I HN -0.058 nan 8.210 nan 0.000 0.487 119 L N 1.269 122.489 121.223 -0.004 0.000 2.558 119 L HA 0.201 4.542 4.340 0.001 0.000 0.225 119 L C 0.621 177.494 176.870 0.006 0.000 1.128 119 L CA 0.143 54.988 54.840 0.007 0.000 0.868 119 L CB -0.392 41.682 42.059 0.024 0.000 1.006 119 L HN 0.559 nan 8.230 nan 0.000 0.454 120 S N -3.828 111.873 115.700 0.002 0.000 2.552 120 S HA 0.240 4.710 4.470 0.001 0.000 0.272 120 S C -0.222 174.378 174.600 -0.001 0.000 1.150 120 S CA -0.832 57.369 58.200 0.001 0.000 0.849 120 S CB 1.711 64.912 63.200 0.001 0.000 1.113 120 S HN -0.117 nan 8.310 nan 0.000 0.458 121 D N 1.070 121.470 120.400 -0.001 0.000 2.144 121 D HA -0.006 4.635 4.640 0.001 0.000 0.200 121 D C 1.019 177.320 176.300 0.002 0.000 0.978 121 D CA 1.997 55.997 54.000 0.000 0.000 0.833 121 D CB -0.052 40.749 40.800 0.001 0.000 0.961 121 D HN 0.795 nan 8.370 nan 0.000 0.470 122 D N -1.771 118.630 120.400 0.002 0.000 2.368 122 D HA 0.195 4.836 4.640 0.001 0.000 0.218 122 D C 1.216 177.519 176.300 0.005 0.000 1.112 122 D CA 0.315 54.318 54.000 0.004 0.000 0.834 122 D CB -0.159 40.644 40.800 0.005 0.000 0.953 122 D HN 0.113 nan 8.370 nan 0.000 0.505 123 G N 0.911 109.714 108.800 0.004 0.000 2.198 123 G HA2 -0.324 3.636 3.960 0.001 0.000 0.260 123 G HA3 -0.324 3.636 3.960 0.001 0.000 0.260 123 G C 0.897 175.802 174.900 0.008 0.000 1.025 123 G CA 0.888 45.993 45.100 0.008 0.000 0.769 123 G HN 0.600 nan 8.290 nan 0.000 0.507 124 T N -3.069 111.485 114.554 -0.000 0.000 3.144 124 T HA 0.495 4.845 4.350 0.001 0.000 0.249 124 T C 0.631 175.329 174.700 -0.004 0.000 1.089 124 T CA 0.422 62.517 62.100 -0.009 0.000 0.989 124 T CB 0.949 69.797 68.868 -0.033 0.000 0.992 124 T HN 0.572 nan 8.240 nan 0.000 0.540 125 V N 1.867 121.787 119.914 0.010 0.000 2.370 125 V HA 0.801 4.922 4.120 0.001 0.000 0.283 125 V C 0.101 176.219 176.094 0.041 0.000 1.023 125 V CA -0.831 61.484 62.300 0.025 0.000 0.857 125 V CB 0.769 32.609 31.823 0.028 0.000 0.985 125 V HN 0.669 nan 8.190 nan 0.000 0.443 126 A N 4.548 127.401 122.820 0.055 0.000 2.454 126 A HA 0.865 5.186 4.320 0.001 0.000 0.302 126 A C -1.038 176.605 177.584 0.099 0.000 1.079 126 A CA -0.764 51.313 52.037 0.067 0.000 0.731 126 A CB 1.574 20.606 19.000 0.053 0.000 1.299 126 A HN 0.829 nan 8.150 nan 0.000 0.413 127 L N 0.998 122.294 121.223 0.121 0.000 2.410 127 L HA 0.542 4.883 4.340 0.001 0.000 0.273 127 L C 0.487 177.445 176.870 0.148 0.000 1.152 127 L CA 0.663 55.609 54.840 0.178 0.000 0.855 127 L CB 0.307 42.499 42.059 0.222 0.000 1.129 127 L HN 0.680 nan 8.230 nan 0.000 0.463 128 R N 4.475 125.068 120.500 0.154 0.000 2.721 128 R HA 0.546 4.886 4.340 0.001 0.000 0.272 128 R C -0.657 175.714 176.300 0.118 0.000 1.721 128 R CA 0.154 56.324 56.100 0.115 0.000 1.325 128 R CB 0.436 30.783 30.300 0.079 0.000 1.271 128 R HN 1.076 nan 8.270 nan 0.000 0.556 129 G N 2.973 111.863 108.800 0.149 0.000 2.777 129 G HA2 -0.213 3.747 3.960 0.001 0.000 0.686 129 G HA3 -0.213 3.747 3.960 0.001 0.000 0.686 129 G C -1.417 173.589 174.900 0.176 0.000 1.177 129 G CA -0.219 44.930 45.100 0.082 0.000 0.775 129 G HN 0.729 nan 8.290 nan 0.000 0.613 130 Y N -2.160 118.166 120.300 0.044 0.000 2.677 130 Y HA 0.893 5.443 4.550 0.001 0.000 0.334 130 Y C -0.281 175.637 175.900 0.030 0.000 1.196 130 Y CA -1.070 56.993 58.100 -0.061 0.000 1.059 130 Y CB 0.941 39.412 38.460 0.018 0.000 1.315 130 Y HN 2.233 nan 8.280 nan 0.000 0.455 131 A N 1.933 124.841 122.820 0.147 0.000 2.491 131 A HA 0.704 5.024 4.320 0.001 0.000 0.293 131 A C -2.156 175.697 177.584 0.449 0.000 1.047 131 A CA -0.611 51.634 52.037 0.347 0.000 0.735 131 A CB 0.531 19.751 19.000 0.366 0.000 1.281 131 A HN 0.592 nan 8.150 nan 0.000 0.398 132 F N 1.756 121.944 119.950 0.397 0.000 2.377 132 F HA 0.520 5.048 4.527 0.001 0.000 0.328 132 F C 1.521 177.186 175.800 -0.224 0.000 1.094 132 F CA 0.335 58.445 58.000 0.183 0.000 1.093 132 F CB 1.706 40.771 39.000 0.109 0.000 1.214 132 F HN 0.668 nan 8.300 nan 0.000 0.518 133 S N 0.425 115.787 115.700 -0.563 0.000 2.584 133 S HA 0.030 4.501 4.470 0.001 0.000 0.270 133 S C 1.112 175.598 174.600 -0.190 0.000 1.346 133 S CA -0.464 57.225 58.200 -0.851 0.000 1.018 133 S CB 0.962 63.623 63.200 -0.899 0.000 0.899 133 S HN 0.724 nan 8.310 nan 0.000 0.542 134 E N 1.272 121.402 120.200 -0.117 0.000 2.118 134 E HA -0.230 4.121 4.350 0.001 0.000 0.195 134 E C 1.192 177.732 176.600 -0.099 0.000 0.992 134 E CA 2.023 58.331 56.400 -0.152 0.000 0.804 134 E CB -0.424 29.021 29.700 -0.424 0.000 0.741 134 E HN 0.864 nan 8.360 nan 0.000 0.458 135 D N -1.415 118.948 120.400 -0.062 0.000 2.340 135 D HA 0.075 4.716 4.640 0.001 0.000 0.220 135 D C 1.327 177.620 176.300 -0.013 0.000 1.039 135 D CA 0.769 54.755 54.000 -0.024 0.000 0.866 135 D CB -0.301 40.508 40.800 0.013 0.000 0.913 135 D HN 0.307 nan 8.370 nan 0.000 0.523 136 G N 0.521 109.318 108.800 -0.005 0.000 2.155 136 G HA2 -0.326 3.635 3.960 0.001 0.000 0.257 136 G HA3 -0.326 3.635 3.960 0.001 0.000 0.257 136 G C 0.881 175.838 174.900 0.095 0.000 0.983 136 G CA 0.455 45.579 45.100 0.040 0.000 0.676 136 G HN 0.385 nan 8.290 nan 0.000 0.528 137 E N -1.275 118.956 120.200 0.053 0.000 2.400 137 E HA 0.187 4.537 4.350 0.001 0.000 0.195 137 E C 0.238 176.700 176.600 -0.229 0.000 1.012 137 E CA 0.543 56.924 56.400 -0.031 0.000 0.875 137 E CB 0.293 29.995 29.700 0.004 0.000 0.859 137 E HN 0.648 nan 8.360 nan 0.000 0.498 138 Y N -0.724 119.577 120.300 0.002 0.000 2.536 138 Y HA 0.446 4.996 4.550 0.001 0.000 0.347 138 Y C -0.830 175.141 175.900 0.118 0.000 1.000 138 Y CA -1.284 56.842 58.100 0.043 0.000 1.051 138 Y CB 1.730 40.116 38.460 -0.123 0.000 1.259 138 Y HN -0.208 nan 8.280 nan 0.000 0.468 139 F N 1.896 122.005 119.950 0.265 0.000 2.557 139 F HA 0.832 5.360 4.527 0.001 0.000 0.316 139 F C -1.252 174.710 175.800 0.270 0.000 1.141 139 F CA -0.906 57.129 58.000 0.057 0.000 0.922 139 F CB 1.065 39.975 39.000 -0.149 0.000 1.194 139 F HN 0.519 nan 8.300 nan 0.000 0.443 140 A N 5.594 128.231 122.820 -0.304 0.000 2.330 140 A HA 0.783 5.104 4.320 0.001 0.000 0.327 140 A C -2.019 175.048 177.584 -0.863 0.000 1.155 140 A CA -0.473 51.092 52.037 -0.787 0.000 0.803 140 A CB 0.634 19.144 19.000 -0.817 0.000 1.208 140 A HN 0.958 nan 8.150 nan 0.000 0.477 141 Y N -0.445 119.346 120.300 -0.849 0.000 2.534 141 Y HA 0.753 5.303 4.550 0.001 0.000 0.345 141 Y C 0.052 175.783 175.900 -0.281 0.000 1.031 141 Y CA -1.115 56.663 58.100 -0.538 0.000 1.022 141 Y CB 0.888 39.049 38.460 -0.498 0.000 1.292 141 Y HN 0.823 nan 8.280 nan 0.000 0.459 142 G N 3.039 111.804 108.800 -0.059 0.000 2.371 142 G HA2 0.636 4.596 3.960 0.001 0.000 0.326 142 G HA3 0.636 4.596 3.960 0.001 0.000 0.326 142 G C -1.578 173.354 174.900 0.053 0.000 1.127 142 G CA -1.042 44.013 45.100 -0.077 0.000 0.885 142 G HN 0.742 nan 8.290 nan 0.000 0.477 143 L N 1.119 122.348 121.223 0.011 0.000 2.365 143 L HA 0.541 4.881 4.340 0.001 0.000 0.273 143 L C -0.110 176.793 176.870 0.055 0.000 1.000 143 L CA -0.696 54.187 54.840 0.071 0.000 0.819 143 L CB 2.392 44.492 42.059 0.068 0.000 1.284 143 L HN 0.420 nan 8.230 nan 0.000 0.418 144 S N 1.502 117.243 115.700 0.069 0.000 2.500 144 S HA 0.763 5.233 4.470 0.001 0.000 0.301 144 S C -0.399 174.233 174.600 0.054 0.000 1.092 144 S CA -0.592 57.651 58.200 0.072 0.000 1.030 144 S CB 2.002 65.245 63.200 0.073 0.000 1.031 144 S HN 0.659 nan 8.310 nan 0.000 0.483 145 A N 1.608 124.458 122.820 0.051 0.000 2.305 145 A HA 0.726 5.046 4.320 0.001 0.000 0.322 145 A C 0.666 178.227 177.584 -0.039 0.000 1.187 145 A CA -0.542 51.500 52.037 0.008 0.000 0.825 145 A CB 0.133 19.136 19.000 0.005 0.000 1.164 145 A HN 1.230 nan 8.150 nan 0.000 0.498 146 S N 0.733 116.369 115.700 -0.105 0.000 3.587 146 S HA -0.171 4.299 4.470 0.001 0.000 0.337 146 S C 1.397 175.932 174.600 -0.108 0.000 1.119 146 S CA 1.808 59.870 58.200 -0.229 0.000 0.976 146 S CB -1.622 61.173 63.200 -0.674 0.000 0.922 146 S HN 2.795 nan 8.310 nan 0.000 0.503 147 G N -0.072 108.727 108.800 -0.003 0.000 2.184 147 G HA2 -0.332 3.628 3.960 0.001 0.000 0.264 147 G HA3 -0.332 3.628 3.960 0.001 0.000 0.264 147 G C 0.188 175.152 174.900 0.107 0.000 0.975 147 G CA 0.844 45.980 45.100 0.059 0.000 0.642 147 G HN 1.543 nan 8.290 nan 0.000 0.536 148 S N -0.254 115.522 115.700 0.127 0.000 2.579 148 S HA 0.363 4.834 4.470 0.001 0.000 0.275 148 S C 1.305 175.948 174.600 0.071 0.000 1.345 148 S CA 0.484 58.777 58.200 0.155 0.000 1.031 148 S CB 0.659 64.020 63.200 0.268 0.000 0.892 148 S HN 0.187 nan 8.310 nan 0.000 0.529 149 D N 2.085 122.455 120.400 -0.049 0.000 2.312 149 D HA 0.019 4.659 4.640 0.001 0.000 0.211 149 D C -0.068 176.077 176.300 -0.257 0.000 0.964 149 D CA 0.322 54.198 54.000 -0.207 0.000 0.877 149 D CB -0.001 40.548 40.800 -0.420 0.000 0.924 149 D HN 0.601 nan 8.370 nan 0.000 0.515 150 W N 0.750 121.989 121.300 -0.102 0.000 2.193 150 W HA 0.161 4.821 4.660 0.001 0.000 0.338 150 W C 0.274 176.762 176.519 -0.052 0.000 1.310 150 W CA -0.336 56.960 57.345 -0.083 0.000 1.243 150 W CB 0.686 30.123 29.460 -0.037 0.000 1.165 150 W HN -0.374 nan 8.180 nan 0.000 0.566 151 V N 2.798 122.872 119.914 0.266 0.000 2.823 151 V HA 0.469 4.589 4.120 0.001 0.000 0.312 151 V C -0.209 175.935 176.094 0.083 0.000 1.072 151 V CA -0.913 61.462 62.300 0.125 0.000 0.937 151 V CB 2.302 34.166 31.823 0.068 0.000 1.013 151 V HN 0.413 nan 8.190 nan 0.000 0.430 152 T N 5.092 119.646 114.554 -0.001 0.000 2.786 152 T HA 0.610 4.960 4.350 0.001 0.000 0.283 152 T C -0.329 174.266 174.700 -0.175 0.000 0.992 152 T CA -0.133 61.923 62.100 -0.073 0.000 0.954 152 T CB 0.782 69.604 68.868 -0.076 0.000 0.934 152 T HN 0.374 nan 8.240 nan 0.000 0.440 153 I N 3.749 124.174 120.570 -0.242 0.000 2.342 153 I HA 0.397 4.568 4.170 0.001 0.000 0.291 153 I C 0.495 176.330 176.117 -0.469 0.000 1.010 153 I CA -0.540 60.513 61.300 -0.412 0.000 1.308 153 I CB 0.964 38.697 38.000 -0.445 0.000 1.400 153 I HN 0.344 nan 8.210 nan 0.000 0.488 154 K N 5.107 125.031 120.400 -0.793 0.000 2.306 154 K HA 0.710 5.031 4.320 0.001 0.000 0.236 154 K C -1.384 174.797 176.600 -0.699 0.000 1.013 154 K CA -0.707 55.203 56.287 -0.627 0.000 0.857 154 K CB 2.132 34.218 32.500 -0.690 0.000 1.214 154 K HN 0.206 nan 8.250 nan 0.000 0.449 155 F N 0.674 120.535 119.950 -0.148 0.000 2.588 155 F HA 0.566 5.093 4.527 0.001 0.000 0.314 155 F C -0.218 175.772 175.800 0.317 0.000 1.069 155 F CA -0.770 57.315 58.000 0.142 0.000 0.931 155 F CB 1.794 40.892 39.000 0.164 0.000 1.260 155 F HN 0.169 nan 8.300 nan 0.000 0.465 156 M N 1.512 121.475 119.600 0.605 0.000 2.484 156 M HA 0.339 4.819 4.480 0.001 0.000 0.289 156 M C -1.104 175.434 176.300 0.397 0.000 1.206 156 M CA -0.827 54.737 55.300 0.440 0.000 0.892 156 M CB 3.072 35.879 32.600 0.344 0.000 1.712 156 M HN 0.479 nan 8.290 nan 0.000 0.462 157 K N 1.351 121.865 120.400 0.190 0.000 2.227 157 K HA 0.404 4.724 4.320 0.001 0.000 0.280 157 K C 0.270 176.869 176.600 -0.001 0.000 1.041 157 K CA -0.357 55.841 56.287 -0.148 0.000 0.905 157 K CB 1.367 33.771 32.500 -0.160 0.000 1.068 157 K HN 0.609 nan 8.250 nan 0.000 0.470 158 V N 2.430 122.342 119.914 -0.004 0.000 2.287 158 V HA -0.217 3.903 4.120 0.001 0.000 0.248 158 V C 0.744 176.936 176.094 0.163 0.000 1.053 158 V CA 1.669 64.104 62.300 0.226 0.000 1.027 158 V CB -0.561 31.355 31.823 0.155 0.000 0.646 158 V HN 0.889 nan 8.190 nan 0.000 0.447 159 D N 0.129 120.540 120.400 0.017 0.000 2.349 159 D HA 0.351 4.992 4.640 0.001 0.000 0.266 159 D C 1.077 177.392 176.300 0.026 0.000 1.293 159 D CA 1.095 55.102 54.000 0.012 0.000 0.926 159 D CB 0.098 40.885 40.800 -0.022 0.000 1.090 159 D HN 0.444 nan 8.370 nan 0.000 0.502 160 G N 3.156 111.981 108.800 0.042 0.000 2.176 160 G HA2 -0.124 3.837 3.960 0.001 0.000 0.253 160 G HA3 -0.124 3.837 3.960 0.001 0.000 0.253 160 G C 0.774 175.686 174.900 0.019 0.000 0.979 160 G CA 0.395 45.510 45.100 0.024 0.000 0.641 160 G HN 1.705 nan 8.290 nan 0.000 0.530 161 A N -1.162 121.694 122.820 0.060 0.000 2.560 161 A HA -0.104 4.216 4.320 0.001 0.000 0.299 161 A C 0.797 178.345 177.584 -0.061 0.000 1.484 161 A CA 2.078 54.082 52.037 -0.055 0.000 0.749 161 A CB -1.107 17.767 19.000 -0.209 0.000 1.072 161 A HN 0.930 nan 8.150 nan 0.000 0.426 162 K N 1.146 121.552 120.400 0.011 0.000 2.297 162 K HA 0.266 4.586 4.320 0.001 0.000 0.286 162 K C 0.317 176.965 176.600 0.079 0.000 1.053 162 K CA -0.123 56.185 56.287 0.035 0.000 0.940 162 K CB 0.702 33.234 32.500 0.054 0.000 1.019 162 K HN 0.721 nan 8.250 nan 0.000 0.475 163 E N 2.935 123.177 120.200 0.070 0.000 2.344 163 E HA 0.144 4.494 4.350 0.001 0.000 0.270 163 E C -0.070 176.613 176.600 0.138 0.000 1.021 163 E CA -0.122 56.348 56.400 0.116 0.000 0.887 163 E CB 0.723 30.472 29.700 0.082 0.000 0.997 163 E HN 0.268 nan 8.360 nan 0.000 0.429 164 L N 3.954 125.292 121.223 0.192 0.000 2.332 164 L HA 0.293 4.633 4.340 0.001 0.000 0.269 164 L C -1.588 175.352 176.870 0.116 0.000 1.016 164 L CA -1.932 53.011 54.840 0.173 0.000 0.809 164 L CB 0.894 43.103 42.059 0.250 0.000 1.280 164 L HN 0.388 nan 8.230 nan 0.000 0.447 165 P HA -0.017 nan 4.420 nan 0.000 0.225 165 P C -0.673 176.626 177.300 -0.002 0.000 1.156 165 P CA 0.403 63.518 63.100 0.026 0.000 0.787 165 P CB 0.049 31.755 31.700 0.009 0.000 0.802 166 D N -0.145 120.239 120.400 -0.028 0.000 2.531 166 D HA 0.152 4.793 4.640 0.001 0.000 0.239 166 D C -0.301 175.967 176.300 -0.054 0.000 1.144 166 D CA 0.698 54.623 54.000 -0.125 0.000 0.869 166 D CB 0.233 40.777 40.800 -0.427 0.000 1.160 166 D HN -0.121 nan 8.370 nan 0.000 0.484 167 V N 3.667 123.493 119.914 -0.146 0.000 2.623 167 V HA 0.320 4.440 4.120 0.001 0.000 0.304 167 V C -0.415 175.537 176.094 -0.238 0.000 1.054 167 V CA -0.825 61.391 62.300 -0.140 0.000 0.882 167 V CB 1.582 33.343 31.823 -0.103 0.000 1.002 167 V HN 0.380 nan 8.190 nan 0.000 0.424 168 L N 4.542 125.605 121.223 -0.268 0.000 2.325 168 L HA 0.678 5.018 4.340 0.001 0.000 0.281 168 L C -0.127 176.631 176.870 -0.187 0.000 1.004 168 L CA -0.531 54.110 54.840 -0.332 0.000 0.823 168 L CB 1.758 43.441 42.059 -0.625 0.000 1.236 168 L HN 0.526 nan 8.230 nan 0.000 0.415 169 E N 2.778 122.908 120.200 -0.117 0.000 2.243 169 E HA 0.457 4.808 4.350 0.001 0.000 0.260 169 E C -0.073 176.544 176.600 0.029 0.000 0.985 169 E CA -0.777 55.588 56.400 -0.059 0.000 0.858 169 E CB 1.499 31.146 29.700 -0.089 0.000 1.210 169 E HN 0.386 nan 8.360 nan 0.000 0.411 170 R N -1.222 119.301 120.500 0.040 0.000 3.776 170 R HA -0.123 4.217 4.340 0.001 0.000 0.312 170 R C -0.450 176.142 176.300 0.487 0.000 1.181 170 R CA 0.171 56.374 56.100 0.172 0.000 0.836 170 R CB -2.273 28.096 30.300 0.114 0.000 1.324 170 R HN 0.187 nan 8.270 nan 0.000 0.501 171 V N 1.212 121.371 119.914 0.408 0.000 2.498 171 V HA 0.403 4.523 4.120 0.001 0.000 0.279 171 V C 0.493 176.805 176.094 0.363 0.000 1.048 171 V CA 0.103 62.633 62.300 0.382 0.000 0.967 171 V CB 1.694 33.660 31.823 0.238 0.000 0.988 171 V HN 0.160 nan 8.190 nan 0.000 0.473 172 K N 3.701 124.255 120.400 0.257 0.000 2.557 172 K HA 0.428 4.749 4.320 0.001 0.000 0.257 172 K C -1.057 175.548 176.600 0.008 0.000 0.933 172 K CA -0.803 55.408 56.287 -0.126 0.000 0.820 172 K CB 1.150 33.333 32.500 -0.529 0.000 1.330 172 K HN 0.329 nan 8.250 nan 0.000 0.432 173 F N -0.145 119.877 119.950 0.121 0.000 3.004 173 F HA -0.229 4.299 4.527 0.001 0.000 0.264 173 F C 0.137 176.004 175.800 0.112 0.000 0.979 173 F CA 0.864 58.927 58.000 0.105 0.000 0.896 173 F CB -1.891 37.182 39.000 0.121 0.000 0.813 173 F HN 0.307 nan 8.300 nan 0.000 0.804 174 S N -0.667 115.167 115.700 0.224 0.000 2.509 174 S HA 0.744 5.215 4.470 0.001 0.000 0.297 174 S C 0.190 174.890 174.600 0.167 0.000 1.118 174 S CA -0.532 57.785 58.200 0.196 0.000 1.074 174 S CB 1.123 64.454 63.200 0.218 0.000 1.038 174 S HN 0.359 nan 8.310 nan 0.000 0.498 175 C N 4.256 123.656 119.300 0.166 0.000 2.347 175 C HA 0.651 5.112 4.460 0.001 0.000 0.366 175 C C -0.009 175.095 174.990 0.190 0.000 1.241 175 C CA -0.693 58.418 59.018 0.154 0.000 2.360 175 C CB 0.351 28.179 27.740 0.147 0.000 2.290 175 C HN 0.831 nan 8.230 nan 0.000 0.587 176 M N 2.110 121.818 119.600 0.179 0.000 2.165 176 M HA 0.541 5.021 4.480 0.001 0.000 0.283 176 M C -0.801 175.656 176.300 0.262 0.000 0.978 176 M CA 0.021 55.436 55.300 0.191 0.000 0.948 176 M CB 1.686 34.342 32.600 0.092 0.000 1.599 176 M HN 0.752 nan 8.290 nan 0.000 0.450 177 A N 3.071 126.097 122.820 0.343 0.000 2.414 177 A HA 0.720 5.040 4.320 0.001 0.000 0.286 177 A C -2.108 175.805 177.584 0.548 0.000 1.073 177 A CA -0.504 51.814 52.037 0.468 0.000 0.727 177 A CB 0.804 20.081 19.000 0.462 0.000 1.215 177 A HN 0.874 nan 8.150 nan 0.000 0.430 178 W N 2.059 123.598 121.300 0.398 0.000 2.316 178 W HA 0.474 5.135 4.660 0.001 0.000 0.321 178 W C 1.029 177.817 176.519 0.449 0.000 1.203 178 W CA 0.382 57.952 57.345 0.374 0.000 1.214 178 W CB 1.307 30.954 29.460 0.312 0.000 1.169 178 W HN 0.743 nan 8.180 nan 0.000 0.561 179 T N -1.193 113.754 114.554 0.656 0.000 2.918 179 T HA 0.058 4.409 4.350 0.001 0.000 0.302 179 T C 0.789 175.831 174.700 0.569 0.000 1.045 179 T CA -0.270 62.157 62.100 0.545 0.000 1.114 179 T CB 0.628 69.728 68.868 0.386 0.000 0.965 179 T HN 0.572 nan 8.240 nan 0.000 0.540 180 H N 0.728 119.968 119.070 0.284 0.000 2.545 180 H HA -0.071 4.486 4.556 0.001 0.000 0.282 180 H C 1.479 176.912 175.328 0.176 0.000 1.020 180 H CA 0.843 57.021 56.048 0.217 0.000 1.243 180 H CB 0.208 30.076 29.762 0.176 0.000 1.377 180 H HN 0.772 nan 8.280 nan 0.000 0.581 181 D N -0.234 120.343 120.400 0.295 0.000 2.363 181 D HA -0.018 4.623 4.640 0.001 0.000 0.226 181 D C 1.740 178.153 176.300 0.188 0.000 1.020 181 D CA 0.750 54.870 54.000 0.200 0.000 0.892 181 D CB -0.362 40.532 40.800 0.157 0.000 0.900 181 D HN 0.371 nan 8.370 nan 0.000 0.531 182 G N 0.999 109.948 108.800 0.249 0.000 2.155 182 G HA2 -0.437 3.524 3.960 0.001 0.000 0.257 182 G HA3 -0.437 3.524 3.960 0.001 0.000 0.257 182 G C 0.934 175.974 174.900 0.233 0.000 0.983 182 G CA 0.699 45.935 45.100 0.227 0.000 0.676 182 G HN 0.543 nan 8.290 nan 0.000 0.528 183 K N -0.147 120.392 120.400 0.232 0.000 2.116 183 K HA 0.376 4.696 4.320 0.001 0.000 0.203 183 K C 1.455 178.072 176.600 0.029 0.000 1.052 183 K CA 1.541 57.907 56.287 0.132 0.000 0.952 183 K CB -0.054 32.538 32.500 0.153 0.000 0.729 183 K HN 0.893 nan 8.250 nan 0.000 0.446 184 G N -0.284 108.555 108.800 0.064 0.000 2.490 184 G HA2 0.377 4.338 3.960 0.001 0.000 0.308 184 G HA3 0.377 4.338 3.960 0.001 0.000 0.308 184 G C -1.931 172.696 174.900 -0.456 0.000 1.286 184 G CA -0.732 44.087 45.100 -0.468 0.000 0.825 184 G HN 0.079 nan 8.290 nan 0.000 0.479 185 M N 0.010 119.141 119.600 -0.781 0.000 2.378 185 M HA 0.659 5.140 4.480 0.001 0.000 0.289 185 M C -1.630 174.600 176.300 -0.117 0.000 1.136 185 M CA -0.694 54.341 55.300 -0.443 0.000 0.917 185 M CB 2.006 34.112 32.600 -0.824 0.000 1.669 185 M HN 0.362 nan 8.290 nan 0.000 0.461 186 F N 4.213 124.348 119.950 0.308 0.000 2.399 186 F HA 0.539 5.066 4.527 0.001 0.000 0.342 186 F C -0.192 175.817 175.800 0.348 0.000 1.106 186 F CA 0.321 58.547 58.000 0.378 0.000 1.196 186 F CB 0.676 39.877 39.000 0.336 0.000 1.163 186 F HN 0.513 nan 8.300 nan 0.000 0.547 187 Y N -0.546 119.975 120.300 0.369 0.000 2.713 187 Y HA 0.558 5.108 4.550 0.001 0.000 0.335 187 Y C -1.998 174.060 175.900 0.262 0.000 1.222 187 Y CA -2.074 56.168 58.100 0.238 0.000 1.061 187 Y CB 0.818 39.357 38.460 0.132 0.000 1.314 187 Y HN 0.529 nan 8.280 nan 0.000 0.453 188 N N 0.615 119.378 118.700 0.105 0.000 2.361 188 N HA 0.850 5.591 4.740 0.001 0.000 0.302 188 N C -1.476 174.113 175.510 0.133 0.000 1.074 188 N CA -0.601 52.463 53.050 0.023 0.000 0.850 188 N CB 2.201 40.727 38.487 0.064 0.000 1.228 188 N HN 0.963 nan 8.380 nan 0.000 0.491 189 A N 1.141 124.027 122.820 0.110 0.000 2.572 189 A HA 0.624 4.944 4.320 0.001 0.000 0.295 189 A C -1.915 175.753 177.584 0.140 0.000 1.072 189 A CA -0.507 51.674 52.037 0.240 0.000 0.691 189 A CB 0.748 19.923 19.000 0.292 0.000 1.291 189 A HN 0.611 nan 8.150 nan 0.000 0.404 190 Y N 0.745 121.249 120.300 0.341 0.000 2.387 190 Y HA 0.518 5.068 4.550 0.001 0.000 0.330 190 Y C -2.006 174.052 175.900 0.264 0.000 1.133 190 Y CA -1.776 56.522 58.100 0.328 0.000 1.152 190 Y CB 1.265 39.973 38.460 0.413 0.000 1.215 190 Y HN 0.472 nan 8.280 nan 0.000 0.466 191 P HA 0.038 nan 4.420 nan 0.000 0.271 191 P C -1.007 176.413 177.300 0.200 0.000 1.233 191 P CA -0.336 62.909 63.100 0.242 0.000 0.789 191 P CB 0.487 32.303 31.700 0.194 0.000 0.951 192 Q N 0.551 120.418 119.800 0.111 0.000 2.395 192 Q HA 0.094 4.435 4.340 0.001 0.000 0.271 192 Q C 0.187 176.229 176.000 0.070 0.000 1.026 192 Q CA 0.450 56.288 55.803 0.058 0.000 0.900 192 Q CB 0.224 28.975 28.738 0.022 0.000 1.266 192 Q HN 0.417 nan 8.270 nan 0.000 0.430 193 Q N 0.490 120.317 119.800 0.045 0.000 2.456 193 Q HA 0.432 4.773 4.340 0.001 0.000 0.283 193 Q C -1.379 174.635 176.000 0.023 0.000 1.084 193 Q CA -1.085 54.751 55.803 0.056 0.000 0.801 193 Q CB 1.533 30.329 28.738 0.096 0.000 1.434 193 Q HN 0.333 nan 8.270 nan 0.000 0.419 194 D N 0.465 120.882 120.400 0.028 0.000 2.362 194 D HA 0.462 5.102 4.640 0.001 0.000 0.242 194 D C 0.785 177.093 176.300 0.014 0.000 1.132 194 D CA 1.704 55.713 54.000 0.015 0.000 0.907 194 D CB 0.945 41.756 40.800 0.018 0.000 1.195 194 D HN 0.922 nan 8.370 nan 0.000 0.429 195 G N 0.998 109.799 108.800 0.003 0.000 2.681 195 G HA2 -0.223 3.738 3.960 0.001 0.000 0.220 195 G HA3 -0.223 3.738 3.960 0.001 0.000 0.220 195 G C -0.434 174.457 174.900 -0.014 0.000 1.353 195 G CA -0.556 44.546 45.100 0.003 0.000 0.872 195 G HN 0.517 nan 8.290 nan 0.000 0.557 196 K N -0.499 119.895 120.400 -0.010 0.000 2.107 196 K HA 0.611 4.932 4.320 0.001 0.000 0.251 196 K C 0.013 176.588 176.600 -0.041 0.000 1.012 196 K CA 0.121 56.388 56.287 -0.033 0.000 0.920 196 K CB 1.038 33.529 32.500 -0.014 0.000 1.033 196 K HN 0.377 nan 8.250 nan 0.000 0.478 197 S N 1.616 117.224 115.700 -0.153 0.000 2.472 197 S HA 0.043 4.514 4.470 0.001 0.000 0.191 197 S C -0.837 173.496 174.600 -0.445 0.000 1.244 197 S CA -0.601 57.376 58.200 -0.372 0.000 1.227 197 S CB 0.014 62.706 63.200 -0.847 0.000 1.381 197 S HN 0.751 nan 8.310 nan 0.000 0.394 198 D N -0.308 120.087 120.400 -0.008 0.000 2.520 198 D HA 0.298 4.939 4.640 0.001 0.000 0.223 198 D C 1.242 177.752 176.300 0.349 0.000 1.186 198 D CA 0.493 54.570 54.000 0.129 0.000 0.821 198 D CB 0.069 40.926 40.800 0.095 0.000 1.072 198 D HN 0.498 nan 8.370 nan 0.000 0.518 199 G N 0.381 109.408 108.800 0.378 0.000 2.218 199 G HA2 -0.316 3.645 3.960 0.001 0.000 0.216 199 G HA3 -0.316 3.645 3.960 0.001 0.000 0.216 199 G C 1.192 176.118 174.900 0.043 0.000 0.994 199 G CA 0.642 45.908 45.100 0.277 0.000 0.637 199 G HN 0.597 nan 8.290 nan 0.000 0.505 200 T N -0.512 113.992 114.554 -0.083 0.000 3.065 200 T HA 0.350 4.700 4.350 0.001 0.000 0.252 200 T C 0.990 175.661 174.700 -0.049 0.000 1.099 200 T CA 1.074 63.069 62.100 -0.175 0.000 1.063 200 T CB 0.186 68.892 68.868 -0.270 0.000 0.948 200 T HN 0.796 nan 8.240 nan 0.000 0.506 201 E N 2.398 122.614 120.200 0.027 0.000 2.345 201 E HA 0.137 4.488 4.350 0.001 0.000 0.259 201 E C 0.436 177.069 176.600 0.055 0.000 1.117 201 E CA 0.088 56.517 56.400 0.049 0.000 0.913 201 E CB 1.160 30.915 29.700 0.093 0.000 1.057 201 E HN 0.308 nan 8.360 nan 0.000 0.432 202 T N -2.075 112.512 114.554 0.054 0.000 3.044 202 T HA 0.140 4.490 4.350 0.001 0.000 0.260 202 T C 0.198 174.997 174.700 0.166 0.000 1.019 202 T CA -0.393 61.752 62.100 0.076 0.000 0.921 202 T CB -0.145 68.715 68.868 -0.013 0.000 1.053 202 T HN 0.288 nan 8.240 nan 0.000 0.533 203 S N 2.953 118.732 115.700 0.133 0.000 2.593 203 S HA 0.136 4.606 4.470 0.001 0.000 0.300 203 S C 0.564 175.226 174.600 0.102 0.000 1.267 203 S CA -0.016 58.257 58.200 0.121 0.000 1.065 203 S CB 0.460 63.731 63.200 0.119 0.000 0.807 203 S HN 0.582 nan 8.310 nan 0.000 0.499 204 T N 3.101 117.702 114.554 0.079 0.000 2.930 204 T HA 0.080 4.430 4.350 0.001 0.000 0.306 204 T C 0.004 174.746 174.700 0.070 0.000 1.045 204 T CA -0.296 61.845 62.100 0.068 0.000 1.134 204 T CB -0.245 68.646 68.868 0.037 0.000 0.961 204 T HN 0.630 nan 8.240 nan 0.000 0.545 205 N N 4.343 123.085 118.700 0.071 0.000 2.457 205 N HA 0.539 5.279 4.740 0.001 0.000 0.250 205 N C -0.889 174.762 175.510 0.234 0.000 0.982 205 N CA -0.457 52.574 53.050 -0.032 0.000 0.941 205 N CB 0.969 39.227 38.487 -0.380 0.000 1.120 205 N HN 0.427 nan 8.380 nan 0.000 0.505 206 L N 0.982 122.379 121.223 0.290 0.000 2.327 206 L HA 0.490 4.830 4.340 0.001 0.000 0.258 206 L C 0.018 177.143 176.870 0.424 0.000 1.024 206 L CA -1.007 53.980 54.840 0.245 0.000 0.825 206 L CB 1.411 43.480 42.059 0.016 0.000 1.386 206 L HN 0.644 nan 8.230 nan 0.000 0.417 207 H N 0.001 119.216 119.070 0.242 0.000 2.819 207 H HA -0.168 4.388 4.556 0.001 0.000 0.315 207 H C 0.087 175.478 175.328 0.104 0.000 1.242 207 H CA 0.473 56.623 56.048 0.170 0.000 1.157 207 H CB -0.795 29.048 29.762 0.135 0.000 1.451 207 H HN 0.591 nan 8.280 nan 0.000 0.430 208 Q N 1.209 121.044 119.800 0.059 0.000 2.337 208 Q HA 0.215 4.555 4.340 0.001 0.000 0.270 208 Q C -0.120 175.819 176.000 -0.100 0.000 1.002 208 Q CA 0.349 55.937 55.803 -0.359 0.000 0.888 208 Q CB 0.728 29.160 28.738 -0.509 0.000 1.222 208 Q HN 0.359 nan 8.270 nan 0.000 0.400 209 K N 2.735 123.050 120.400 -0.142 0.000 2.350 209 K HA 0.466 4.787 4.320 0.001 0.000 0.241 209 K C -1.234 175.206 176.600 -0.266 0.000 0.994 209 K CA -0.990 55.160 56.287 -0.228 0.000 0.839 209 K CB 1.354 33.650 32.500 -0.341 0.000 1.244 209 K HN 0.426 nan 8.250 nan 0.000 0.443 210 L N 2.074 123.091 121.223 -0.343 0.000 2.272 210 L HA 0.412 4.752 4.340 0.001 0.000 0.289 210 L C -1.629 175.052 176.870 -0.314 0.000 1.032 210 L CA -0.020 54.704 54.840 -0.194 0.000 0.810 210 L CB 0.267 42.307 42.059 -0.031 0.000 1.205 210 L HN 0.461 nan 8.230 nan 0.000 0.422 211 Y N 3.862 124.074 120.300 -0.146 0.000 2.598 211 Y HA 0.504 5.054 4.550 0.001 0.000 0.340 211 Y C -1.224 174.757 175.900 0.136 0.000 1.038 211 Y CA -0.364 57.678 58.100 -0.096 0.000 1.100 211 Y CB 1.772 40.010 38.460 -0.371 0.000 1.281 211 Y HN 0.508 nan 8.280 nan 0.000 0.488 212 Y N 1.309 121.762 120.300 0.255 0.000 2.338 212 Y HA 0.396 4.947 4.550 0.001 0.000 0.333 212 Y C -1.307 174.691 175.900 0.163 0.000 0.968 212 Y CA -1.159 56.975 58.100 0.057 0.000 1.123 212 Y CB 0.650 38.997 38.460 -0.190 0.000 1.165 212 Y HN 0.705 nan 8.280 nan 0.000 0.452 213 H N 4.886 123.740 119.070 -0.358 0.000 2.519 213 H HA 0.587 5.143 4.556 0.001 0.000 0.316 213 H C -1.415 173.483 175.328 -0.717 0.000 1.065 213 H CA -0.569 55.253 56.048 -0.377 0.000 1.264 213 H CB 1.012 30.594 29.762 -0.299 0.000 1.413 213 H HN 0.512 nan 8.280 nan 0.000 0.465 214 V N 7.127 126.428 119.914 -1.021 0.000 2.455 214 V HA 0.025 4.146 4.120 0.001 0.000 0.273 214 V C 0.278 175.780 176.094 -0.988 0.000 1.045 214 V CA -0.678 61.143 62.300 -0.799 0.000 0.976 214 V CB 0.564 32.145 31.823 -0.402 0.000 0.993 214 V HN 0.676 nan 8.190 nan 0.000 0.475 215 L N 5.368 126.183 121.223 -0.680 0.000 2.525 215 L HA 0.473 4.813 4.340 0.001 0.000 0.278 215 L C 1.192 177.843 176.870 -0.365 0.000 1.218 215 L CA 1.930 56.452 54.840 -0.529 0.000 0.878 215 L CB 0.354 42.236 42.059 -0.295 0.000 1.127 215 L HN 0.979 nan 8.230 nan 0.000 0.492 216 G N 1.630 110.263 108.800 -0.278 0.000 2.141 216 G HA2 -0.222 3.739 3.960 0.001 0.000 0.231 216 G HA3 -0.222 3.739 3.960 0.001 0.000 0.231 216 G C 0.202 175.014 174.900 -0.146 0.000 0.984 216 G CA 0.314 45.317 45.100 -0.160 0.000 0.660 216 G HN 1.085 nan 8.290 nan 0.000 0.525 217 T N -2.254 112.183 114.554 -0.196 0.000 2.907 217 T HA 0.658 5.008 4.350 0.001 0.000 0.290 217 T C -0.805 173.896 174.700 0.002 0.000 1.066 217 T CA -0.535 61.492 62.100 -0.123 0.000 1.012 217 T CB 2.613 71.368 68.868 -0.188 0.000 1.184 217 T HN -0.040 nan 8.240 nan 0.000 0.522 218 D N 0.981 121.380 120.400 -0.001 0.000 2.341 218 D HA 0.130 4.770 4.640 0.001 0.000 0.245 218 D C 1.175 177.502 176.300 0.044 0.000 1.106 218 D CA -0.245 53.762 54.000 0.011 0.000 0.905 218 D CB 1.499 42.290 40.800 -0.014 0.000 1.202 218 D HN 0.796 nan 8.370 nan 0.000 0.426 219 Q N 1.155 120.950 119.800 -0.008 0.000 2.234 219 Q HA -0.191 4.149 4.340 0.001 0.000 0.206 219 Q C 1.490 177.481 176.000 -0.016 0.000 0.980 219 Q CA 1.549 57.334 55.803 -0.030 0.000 0.869 219 Q CB 0.112 28.770 28.738 -0.134 0.000 0.912 219 Q HN 0.515 nan 8.270 nan 0.000 0.436 220 S N -0.524 115.163 115.700 -0.022 0.000 2.469 220 S HA -0.128 4.343 4.470 0.001 0.000 0.238 220 S C 1.147 175.751 174.600 0.007 0.000 0.998 220 S CA 1.124 59.314 58.200 -0.018 0.000 0.957 220 S CB -0.061 63.129 63.200 -0.017 0.000 0.764 220 S HN 0.469 nan 8.310 nan 0.000 0.514 221 E N 1.009 121.220 120.200 0.018 0.000 2.474 221 E HA 0.100 4.450 4.350 0.001 0.000 0.194 221 E C -0.561 176.073 176.600 0.057 0.000 1.041 221 E CA -0.179 56.236 56.400 0.025 0.000 0.874 221 E CB 0.012 29.710 29.700 -0.003 0.000 0.914 221 E HN 0.512 nan 8.360 nan 0.000 0.498 222 D N 1.050 121.502 120.400 0.087 0.000 2.506 222 D HA -0.026 4.614 4.640 0.001 0.000 0.234 222 D C 0.047 176.494 176.300 0.245 0.000 1.143 222 D CA 0.449 54.550 54.000 0.168 0.000 0.871 222 D CB 0.670 41.590 40.800 0.201 0.000 1.190 222 D HN -0.059 nan 8.370 nan 0.000 0.459 223 I N 2.239 122.986 120.570 0.294 0.000 2.371 223 I HA 0.093 4.263 4.170 0.001 0.000 0.290 223 I C 0.311 176.619 176.117 0.318 0.000 1.028 223 I CA -0.790 60.674 61.300 0.274 0.000 1.345 223 I CB 0.522 38.661 38.000 0.231 0.000 1.407 223 I HN 0.218 nan 8.210 nan 0.000 0.501 224 L N 7.163 128.503 121.223 0.195 0.000 2.315 224 L HA 0.239 4.579 4.340 0.001 0.000 0.283 224 L C 0.486 177.356 176.870 0.001 0.000 1.089 224 L CA 0.452 55.255 54.840 -0.062 0.000 0.833 224 L CB 0.800 42.802 42.059 -0.096 0.000 1.170 224 L HN 0.736 nan 8.230 nan 0.000 0.442 225 C N 3.882 123.202 119.300 0.033 0.000 2.791 225 C HA 0.741 5.201 4.460 0.001 0.000 0.288 225 C C 0.886 176.057 174.990 0.303 0.000 1.271 225 C CA 0.130 59.266 59.018 0.198 0.000 1.726 225 C CB -0.950 27.017 27.740 0.378 0.000 2.145 225 C HN 0.909 nan 8.230 nan 0.000 0.572 226 A N 1.008 123.862 122.820 0.056 0.000 2.577 226 A HA 0.674 4.995 4.320 0.001 0.000 0.297 226 A C -1.194 176.089 177.584 -0.502 0.000 1.060 226 A CA -0.389 51.584 52.037 -0.108 0.000 0.697 226 A CB 1.009 19.929 19.000 -0.133 0.000 1.281 226 A HN 0.485 nan 8.150 nan 0.000 0.402 227 E N 0.134 119.887 120.200 -0.745 0.000 2.390 227 E HA 0.697 5.047 4.350 0.001 0.000 0.280 227 E C -1.914 174.136 176.600 -0.917 0.000 0.992 227 E CA -0.838 55.080 56.400 -0.803 0.000 0.790 227 E CB 1.331 30.829 29.700 -0.336 0.000 1.248 227 E HN 0.472 nan 8.360 nan 0.000 0.447 228 F N 1.179 121.149 119.950 0.033 0.000 2.584 228 F HA 0.340 4.867 4.527 0.001 0.000 0.328 228 F C -1.885 173.887 175.800 -0.047 0.000 1.407 228 F CA -2.007 55.970 58.000 -0.038 0.000 1.145 228 F CB 1.312 40.279 39.000 -0.056 0.000 1.440 228 F HN 0.347 nan 8.300 nan 0.000 0.580 229 P HA -0.153 nan 4.420 nan 0.000 0.221 229 P C 0.419 177.790 177.300 0.118 0.000 1.145 229 P CA 1.449 64.646 63.100 0.162 0.000 0.795 229 P CB 0.473 32.202 31.700 0.048 0.000 0.775 230 D N -0.515 119.873 120.400 -0.021 0.000 2.350 230 D HA 0.032 4.673 4.640 0.001 0.000 0.213 230 D C 0.395 176.561 176.300 -0.223 0.000 1.031 230 D CA 0.671 54.617 54.000 -0.090 0.000 0.861 230 D CB 0.278 41.017 40.800 -0.102 0.000 0.926 230 D HN 0.221 nan 8.370 nan 0.000 0.520 231 E N 0.444 120.436 120.200 -0.346 0.000 3.132 231 E HA 0.175 4.525 4.350 0.001 0.000 0.241 231 E C -2.018 174.352 176.600 -0.383 0.000 1.196 231 E CA -1.578 54.465 56.400 -0.595 0.000 0.869 231 E CB 1.879 30.594 29.700 -1.642 0.000 1.387 231 E HN -0.041 nan 8.360 nan 0.000 0.393 232 P HA -0.145 nan 4.420 nan 0.000 0.220 232 P C 0.925 178.058 177.300 -0.279 0.000 1.144 232 P CA 1.257 64.024 63.100 -0.554 0.000 0.800 232 P CB 0.370 31.717 31.700 -0.589 0.000 0.772 233 K N -3.109 117.208 120.400 -0.138 0.000 2.379 233 K HA 0.005 4.325 4.320 0.001 0.000 0.194 233 K C 0.202 176.940 176.600 0.229 0.000 1.031 233 K CA -0.086 56.193 56.287 -0.013 0.000 1.037 233 K CB 0.012 32.484 32.500 -0.047 0.000 0.824 233 K HN 0.135 nan 8.250 nan 0.000 0.516 234 W N 1.815 123.065 121.300 -0.084 0.000 2.193 234 W HA 0.146 4.806 4.660 0.001 0.000 0.338 234 W C 0.181 176.649 176.519 -0.085 0.000 1.310 234 W CA -0.160 57.080 57.345 -0.175 0.000 1.243 234 W CB -0.077 29.109 29.460 -0.456 0.000 1.165 234 W HN -0.081 nan 8.180 nan 0.000 0.566 235 M N 3.083 122.707 119.600 0.040 0.000 2.151 235 M HA 0.395 4.875 4.480 0.001 0.000 0.290 235 M C 0.338 176.617 176.300 -0.035 0.000 0.965 235 M CA -0.387 54.955 55.300 0.071 0.000 0.930 235 M CB 1.955 34.596 32.600 0.068 0.000 1.560 235 M HN 0.498 nan 8.290 nan 0.000 0.438 236 G N 1.722 110.574 108.800 0.087 0.000 2.415 236 G HA2 0.641 4.601 3.960 0.001 0.000 0.317 236 G HA3 0.641 4.601 3.960 0.001 0.000 0.317 236 G C -0.303 174.591 174.900 -0.010 0.000 1.152 236 G CA -0.525 44.562 45.100 -0.022 0.000 0.956 236 G HN 0.823 nan 8.290 nan 0.000 0.458 237 G N 0.510 109.287 108.800 -0.039 0.000 2.356 237 G HA2 0.700 4.660 3.960 0.001 0.000 0.322 237 G HA3 0.700 4.660 3.960 0.001 0.000 0.322 237 G C -0.106 174.795 174.900 0.002 0.000 1.125 237 G CA -0.020 45.090 45.100 0.016 0.000 0.885 237 G HN 0.974 nan 8.290 nan 0.000 0.467 238 A N 2.100 124.940 122.820 0.033 0.000 2.320 238 A HA 0.895 5.216 4.320 0.001 0.000 0.334 238 A C -0.042 177.595 177.584 0.088 0.000 1.147 238 A CA -0.683 51.352 52.037 -0.003 0.000 0.820 238 A CB 1.156 20.048 19.000 -0.180 0.000 1.218 238 A HN 0.913 nan 8.150 nan 0.000 0.482 239 E N 1.454 121.709 120.200 0.090 0.000 2.392 239 E HA 0.524 4.874 4.350 0.001 0.000 0.279 239 E C -1.843 174.849 176.600 0.153 0.000 0.964 239 E CA -0.900 55.603 56.400 0.170 0.000 0.777 239 E CB 1.026 30.836 29.700 0.183 0.000 1.249 239 E HN 0.364 nan 8.360 nan 0.000 0.449 240 L N 2.442 123.801 121.223 0.226 0.000 2.325 240 L HA 0.332 4.672 4.340 0.001 0.000 0.279 240 L C 0.689 177.622 176.870 0.105 0.000 1.054 240 L CA -0.342 54.605 54.840 0.179 0.000 0.804 240 L CB 1.430 43.624 42.059 0.226 0.000 1.200 240 L HN 0.893 nan 8.230 nan 0.000 0.436 241 S N 0.891 116.607 115.700 0.027 0.000 2.576 241 S HA 0.035 4.505 4.470 0.001 0.000 0.272 241 S C 0.751 175.464 174.600 0.189 0.000 1.352 241 S CA -0.578 57.609 58.200 -0.021 0.000 1.021 241 S CB 0.727 63.999 63.200 0.120 0.000 0.887 241 S HN 0.553 nan 8.310 nan 0.000 0.542 242 D N 1.244 121.843 120.400 0.331 0.000 2.221 242 D HA -0.107 4.533 4.640 0.001 0.000 0.204 242 D C 1.195 177.676 176.300 0.300 0.000 0.982 242 D CA 1.640 55.831 54.000 0.318 0.000 0.857 242 D CB -0.433 40.499 40.800 0.221 0.000 0.934 242 D HN 0.880 nan 8.370 nan 0.000 0.475 243 D N -1.271 119.237 120.400 0.180 0.000 2.339 243 D HA 0.129 4.770 4.640 0.001 0.000 0.217 243 D C 1.578 177.917 176.300 0.064 0.000 1.050 243 D CA 0.672 54.762 54.000 0.149 0.000 0.856 243 D CB -0.218 40.642 40.800 0.100 0.000 0.922 243 D HN 0.171 nan 8.370 nan 0.000 0.518 244 G N 1.003 109.670 108.800 -0.223 0.000 2.189 244 G HA2 -0.459 3.501 3.960 0.001 0.000 0.267 244 G HA3 -0.459 3.501 3.960 0.001 0.000 0.267 244 G C 1.263 176.044 174.900 -0.199 0.000 0.975 244 G CA 0.660 45.354 45.100 -0.676 0.000 0.644 244 G HN 0.500 nan 8.290 nan 0.000 0.537 245 R N -0.476 119.989 120.500 -0.058 0.000 2.093 245 R HA 0.243 4.583 4.340 0.001 0.000 0.224 245 R C 0.398 176.567 176.300 -0.218 0.000 1.101 245 R CA 1.139 57.147 56.100 -0.154 0.000 0.979 245 R CB -0.111 30.055 30.300 -0.224 0.000 0.877 245 R HN 0.471 nan 8.270 nan 0.000 0.441 246 Y N -1.213 119.143 120.300 0.093 0.000 2.446 246 Y HA 0.456 5.007 4.550 0.001 0.000 0.345 246 Y C -0.585 175.381 175.900 0.111 0.000 0.984 246 Y CA -1.413 56.775 58.100 0.146 0.000 1.058 246 Y CB 2.024 40.637 38.460 0.255 0.000 1.220 246 Y HN -0.377 nan 8.280 nan 0.000 0.455 247 V N 4.779 124.859 119.914 0.276 0.000 2.407 247 V HA 0.345 4.466 4.120 0.001 0.000 0.278 247 V C -0.238 176.043 176.094 0.311 0.000 1.037 247 V CA -0.758 61.648 62.300 0.177 0.000 0.900 247 V CB 0.936 32.756 31.823 -0.005 0.000 0.983 247 V HN 0.555 nan 8.190 nan 0.000 0.459 248 L N 5.758 127.112 121.223 0.218 0.000 2.296 248 L HA 0.557 4.898 4.340 0.001 0.000 0.286 248 L C -0.645 176.313 176.870 0.147 0.000 1.023 248 L CA -0.603 54.374 54.840 0.228 0.000 0.812 248 L CB 1.612 43.753 42.059 0.137 0.000 1.223 248 L HN 0.445 nan 8.230 nan 0.000 0.421 249 L N 2.793 124.066 121.223 0.084 0.000 2.298 249 L HA 0.422 4.762 4.340 0.001 0.000 0.284 249 L C -0.268 176.463 176.870 -0.231 0.000 1.013 249 L CA 0.292 55.026 54.840 -0.176 0.000 0.824 249 L CB 1.629 43.325 42.059 -0.605 0.000 1.221 249 L HN 0.481 nan 8.230 nan 0.000 0.418 250 S N 6.403 122.003 115.700 -0.167 0.000 2.420 250 S HA 0.577 5.047 4.470 0.001 0.000 0.313 250 S C -0.137 174.303 174.600 -0.267 0.000 1.079 250 S CA -0.346 57.755 58.200 -0.166 0.000 1.104 250 S CB 0.256 63.441 63.200 -0.025 0.000 0.969 250 S HN 0.460 nan 8.310 nan 0.000 0.471 251 I N 4.040 124.349 120.570 -0.435 0.000 2.331 251 I HA 0.425 4.596 4.170 0.001 0.000 0.292 251 I C 0.459 176.401 176.117 -0.292 0.000 0.998 251 I CA -0.423 60.562 61.300 -0.525 0.000 1.267 251 I CB 0.950 38.347 38.000 -1.004 0.000 1.386 251 I HN 0.328 nan 8.210 nan 0.000 0.476 252 R N 4.673 125.012 120.500 -0.268 0.000 2.740 252 R HA 0.554 4.895 4.340 0.001 0.000 0.282 252 R C -0.821 175.229 176.300 -0.416 0.000 0.969 252 R CA -0.879 55.060 56.100 -0.268 0.000 0.918 252 R CB 2.535 32.735 30.300 -0.167 0.000 1.175 252 R HN 0.549 nan 8.270 nan 0.000 0.464 253 E N 1.296 121.085 120.200 -0.685 0.000 2.409 253 E HA 0.378 4.729 4.350 0.001 0.000 0.259 253 E C -0.612 175.762 176.600 -0.378 0.000 0.932 253 E CA -0.209 55.876 56.400 -0.525 0.000 0.809 253 E CB 1.147 30.395 29.700 -0.753 0.000 1.341 253 E HN 0.851 nan 8.360 nan 0.000 0.405 254 G N 1.626 110.341 108.800 -0.141 0.000 2.582 254 G HA2 -0.233 3.728 3.960 0.001 0.000 0.222 254 G HA3 -0.233 3.728 3.960 0.001 0.000 0.222 254 G C 0.276 175.161 174.900 -0.026 0.000 1.311 254 G CA -0.303 44.767 45.100 -0.050 0.000 0.915 254 G HN 0.564 nan 8.290 nan 0.000 0.528 255 C N 0.853 120.195 119.300 0.070 0.000 3.038 255 C HA 0.378 4.838 4.460 0.001 0.000 0.279 255 C C 0.632 175.678 174.990 0.093 0.000 1.276 255 C CA -0.423 58.675 59.018 0.132 0.000 1.697 255 C CB -1.091 26.879 27.740 0.384 0.000 2.032 255 C HN 0.604 nan 8.230 nan 0.000 0.636 256 D N 2.872 123.298 120.400 0.042 0.000 2.362 256 D HA 0.125 4.765 4.640 0.001 0.000 0.242 256 D C -1.991 174.334 176.300 0.042 0.000 1.132 256 D CA -0.974 53.070 54.000 0.073 0.000 0.907 256 D CB 0.593 41.414 40.800 0.036 0.000 1.195 256 D HN 0.159 nan 8.370 nan 0.000 0.429 257 P HA 0.051 nan 4.420 nan 0.000 0.237 257 P C -0.666 176.665 177.300 0.051 0.000 1.788 257 P CA -0.133 63.014 63.100 0.078 0.000 1.061 257 P CB -0.138 31.657 31.700 0.159 0.000 1.967 258 V N 0.028 119.958 119.914 0.027 0.000 3.147 258 V HA 0.787 4.907 4.120 0.001 0.000 0.306 258 V C -1.245 174.892 176.094 0.070 0.000 1.209 258 V CA -1.038 61.286 62.300 0.041 0.000 1.023 258 V CB 2.897 34.758 31.823 0.062 0.000 1.059 258 V HN 0.503 nan 8.190 nan 0.000 0.435 259 N N 0.890 119.668 118.700 0.131 0.000 2.745 259 N HA 0.381 5.121 4.740 0.001 0.000 0.256 259 N C -1.344 174.179 175.510 0.022 0.000 1.268 259 N CA -0.885 52.227 53.050 0.103 0.000 0.887 259 N CB 2.242 40.742 38.487 0.021 0.000 1.575 259 N HN 0.826 nan 8.380 nan 0.000 0.496 260 R N 0.139 120.507 120.500 -0.220 0.000 2.615 260 R HA 0.431 4.772 4.340 0.001 0.000 0.270 260 R C -0.623 175.476 176.300 -0.335 0.000 1.081 260 R CA -0.659 55.191 56.100 -0.416 0.000 1.154 260 R CB 0.692 30.511 30.300 -0.801 0.000 1.063 260 R HN 0.465 nan 8.270 nan 0.000 0.519 261 L N 3.270 124.345 121.223 -0.247 0.000 2.457 261 L HA 0.378 4.718 4.340 0.001 0.000 0.266 261 L C -1.811 175.107 176.870 0.079 0.000 0.979 261 L CA -0.324 54.425 54.840 -0.151 0.000 0.857 261 L CB 1.156 43.085 42.059 -0.217 0.000 1.213 261 L HN 0.648 nan 8.230 nan 0.000 0.418 262 W N 4.809 126.017 121.300 -0.154 0.000 2.647 262 W HA 0.609 5.269 4.660 0.001 0.000 0.353 262 W C -0.252 176.333 176.519 0.110 0.000 1.080 262 W CA -0.928 56.348 57.345 -0.115 0.000 1.208 262 W CB 1.122 30.463 29.460 -0.197 0.000 1.396 262 W HN 0.471 nan 8.180 nan 0.000 0.573 263 Y N -0.780 119.709 120.300 0.315 0.000 2.609 263 Y HA 0.700 5.250 4.550 0.001 0.000 0.342 263 Y C -1.075 175.012 175.900 0.311 0.000 1.058 263 Y CA -2.161 56.108 58.100 0.281 0.000 1.055 263 Y CB 1.549 39.964 38.460 -0.075 0.000 1.292 263 Y HN 0.502 nan 8.280 nan 0.000 0.476 264 C N 3.371 122.948 119.300 0.460 0.000 2.505 264 C HA 0.402 4.862 4.460 0.001 0.000 0.342 264 C C -1.093 174.029 174.990 0.220 0.000 1.121 264 C CA -0.608 58.473 59.018 0.105 0.000 1.306 264 C CB -0.106 27.363 27.740 -0.451 0.000 1.897 264 C HN 0.924 nan 8.230 nan 0.000 0.446 265 D N 4.573 125.100 120.400 0.212 0.000 2.344 265 D HA 0.135 4.775 4.640 0.001 0.000 0.253 265 D C 1.165 177.401 176.300 -0.106 0.000 1.255 265 D CA 0.020 53.972 54.000 -0.079 0.000 0.894 265 D CB 0.659 41.418 40.800 -0.068 0.000 1.067 265 D HN 0.717 nan 8.370 nan 0.000 0.492 266 L N 2.805 123.954 121.223 -0.123 0.000 2.187 266 L HA -0.194 4.146 4.340 0.001 0.000 0.213 266 L C 2.132 178.949 176.870 -0.089 0.000 1.100 266 L CA 0.805 55.589 54.840 -0.094 0.000 0.765 266 L CB -0.196 41.832 42.059 -0.052 0.000 0.904 266 L HN 0.410 nan 8.230 nan 0.000 0.437 267 Q N -0.351 119.388 119.800 -0.101 0.000 2.364 267 Q HA -0.130 4.211 4.340 0.001 0.000 0.207 267 Q C 1.899 177.866 176.000 -0.056 0.000 0.970 267 Q CA 0.910 56.671 55.803 -0.070 0.000 0.888 267 Q CB -0.076 28.619 28.738 -0.070 0.000 0.951 267 Q HN 0.520 nan 8.270 nan 0.000 0.469 268 Q N 0.181 119.944 119.800 -0.062 0.000 2.403 268 Q HA 0.041 4.381 4.340 0.001 0.000 0.203 268 Q C -0.076 175.887 176.000 -0.062 0.000 0.932 268 Q CA 0.179 55.954 55.803 -0.047 0.000 0.945 268 Q CB 0.520 29.241 28.738 -0.028 0.000 1.045 268 Q HN 0.311 nan 8.270 nan 0.000 0.511 269 E N 0.355 120.509 120.200 -0.077 0.000 2.373 269 E HA 0.064 4.415 4.350 0.001 0.000 0.267 269 E C 0.814 177.378 176.600 -0.061 0.000 1.032 269 E CA 0.030 56.378 56.400 -0.087 0.000 0.889 269 E CB 1.176 30.814 29.700 -0.102 0.000 0.984 269 E HN -0.025 nan 8.360 nan 0.000 0.425 270 S N 2.186 117.852 115.700 -0.056 0.000 2.382 270 S HA -0.172 4.299 4.470 0.001 0.000 0.228 270 S C 1.025 175.605 174.600 -0.033 0.000 1.027 270 S CA 1.232 59.408 58.200 -0.040 0.000 0.991 270 S CB 0.002 63.180 63.200 -0.037 0.000 0.823 270 S HN 0.472 nan 8.310 nan 0.000 0.469 271 N N -0.269 118.409 118.700 -0.037 0.000 2.635 271 N HA 0.337 5.078 4.740 0.001 0.000 0.252 271 N C -0.080 175.411 175.510 -0.032 0.000 1.589 271 N CA 0.713 53.746 53.050 -0.027 0.000 0.828 271 N CB 0.098 38.574 38.487 -0.020 0.000 1.403 271 N HN 0.316 nan 8.380 nan 0.000 0.518 272 G N 0.775 109.549 108.800 -0.043 0.000 2.698 272 G HA2 -0.252 3.709 3.960 0.001 0.000 0.233 272 G HA3 -0.252 3.709 3.960 0.001 0.000 0.233 272 G C -0.381 174.466 174.900 -0.088 0.000 1.352 272 G CA -0.259 44.807 45.100 -0.057 0.000 0.879 272 G HN 0.316 nan 8.290 nan 0.000 0.567 273 I N 2.048 122.540 120.570 -0.130 0.000 2.347 273 I HA 0.339 4.510 4.170 0.001 0.000 0.294 273 I C 1.591 177.667 176.117 -0.068 0.000 1.090 273 I CA 0.713 61.909 61.300 -0.173 0.000 1.314 273 I CB 0.879 38.603 38.000 -0.461 0.000 1.423 273 I HN 0.801 nan 8.210 nan 0.000 0.503 274 T N 0.530 115.058 114.554 -0.043 0.000 3.016 274 T HA 0.503 4.853 4.350 0.001 0.000 0.271 274 T C 0.516 175.222 174.700 0.010 0.000 0.968 274 T CA 0.113 62.211 62.100 -0.005 0.000 0.891 274 T CB 0.813 69.674 68.868 -0.012 0.000 1.149 274 T HN 0.671 nan 8.240 nan 0.000 0.524 275 G N 1.287 110.088 108.800 0.001 0.000 2.450 275 G HA2 0.443 4.404 3.960 0.001 0.000 0.273 275 G HA3 0.443 4.404 3.960 0.001 0.000 0.273 275 G C -1.672 173.234 174.900 0.010 0.000 1.221 275 G CA -0.931 44.178 45.100 0.016 0.000 0.900 275 G HN 0.181 nan 8.290 nan 0.000 0.483 276 I N 2.388 122.969 120.570 0.018 0.000 2.742 276 I HA 0.126 4.297 4.170 0.001 0.000 0.287 276 I C 1.063 177.146 176.117 -0.055 0.000 1.186 276 I CA 0.255 61.586 61.300 0.051 0.000 1.417 276 I CB -0.336 37.708 38.000 0.073 0.000 1.377 276 I HN 0.251 nan 8.210 nan 0.000 0.556 277 L N 7.027 128.129 121.223 -0.202 0.000 2.474 277 L HA 0.120 4.460 4.340 0.001 0.000 0.259 277 L C 1.089 177.621 176.870 -0.563 0.000 1.232 277 L CA -0.425 54.087 54.840 -0.548 0.000 0.821 277 L CB 0.033 41.453 42.059 -1.064 0.000 1.108 277 L HN 0.473 nan 8.230 nan 0.000 0.495 278 K N 1.738 121.861 120.400 -0.462 0.000 2.480 278 K HA 0.084 4.405 4.320 0.001 0.000 0.241 278 K C -1.008 175.407 176.600 -0.309 0.000 1.261 278 K CA -0.101 56.011 56.287 -0.291 0.000 1.193 278 K CB -0.238 32.144 32.500 -0.197 0.000 1.598 278 K HN 0.298 nan 8.250 nan 0.000 0.278 279 W N 1.193 122.414 121.300 -0.131 0.000 2.264 279 W HA 0.018 4.679 4.660 0.001 0.000 0.331 279 W C 0.303 176.570 176.519 -0.420 0.000 1.364 279 W CA -0.731 56.492 57.345 -0.202 0.000 1.253 279 W CB 0.411 29.802 29.460 -0.115 0.000 1.215 279 W HN -0.005 nan 8.180 nan 0.000 0.561 280 V N 4.727 124.440 119.914 -0.334 0.000 2.347 280 V HA 0.154 4.274 4.120 0.001 0.000 0.280 280 V C 0.178 175.893 176.094 -0.632 0.000 1.021 280 V CA -1.420 60.495 62.300 -0.642 0.000 0.847 280 V CB 1.033 32.139 31.823 -1.195 0.000 0.990 280 V HN 0.404 nan 8.190 nan 0.000 0.444 281 K N 4.732 124.775 120.400 -0.595 0.000 2.278 281 K HA 0.140 4.461 4.320 0.001 0.000 0.237 281 K C 0.983 177.428 176.600 -0.259 0.000 1.229 281 K CA -0.270 55.659 56.287 -0.597 0.000 1.155 281 K CB 0.395 32.402 32.500 -0.821 0.000 1.590 281 K HN 0.532 nan 8.250 nan 0.000 0.290 282 L N 1.847 122.957 121.223 -0.187 0.000 1.971 282 L HA -0.135 4.206 4.340 0.001 0.000 0.215 282 L C 0.520 177.332 176.870 -0.097 0.000 1.072 282 L CA 1.879 56.649 54.840 -0.117 0.000 0.758 282 L CB 0.170 42.161 42.059 -0.113 0.000 0.889 282 L HN 0.407 nan 8.230 nan 0.000 0.433 283 I N 0.559 121.059 120.570 -0.116 0.000 2.420 283 I HA 0.206 4.377 4.170 0.001 0.000 0.282 283 I C -0.719 175.358 176.117 -0.068 0.000 1.019 283 I CA -0.268 60.926 61.300 -0.176 0.000 1.130 283 I CB 0.767 38.479 38.000 -0.480 0.000 1.262 283 I HN 0.108 nan 8.210 nan 0.000 0.454 284 D N 5.715 126.089 120.400 -0.043 0.000 3.123 284 D HA 0.250 4.890 4.640 0.001 0.000 0.305 284 D C -0.330 175.883 176.300 -0.146 0.000 1.373 284 D CA -0.061 53.937 54.000 -0.004 0.000 0.889 284 D CB 0.225 41.042 40.800 0.028 0.000 1.070 284 D HN 0.706 nan 8.370 nan 0.000 0.494 285 N N -2.094 116.439 118.700 -0.279 0.000 3.116 285 N HA 0.275 5.016 4.740 0.001 0.000 0.244 285 N C -1.142 174.109 175.510 -0.430 0.000 1.485 285 N CA -0.762 52.083 53.050 -0.341 0.000 0.884 285 N CB 0.223 38.648 38.487 -0.103 0.000 1.415 285 N HN -0.207 nan 8.380 nan 0.000 0.524 286 F N -0.106 119.802 119.950 -0.071 0.000 2.850 286 F HA 0.417 4.944 4.527 0.001 0.000 0.306 286 F C 1.060 176.840 175.800 -0.033 0.000 1.162 286 F CA -0.484 57.463 58.000 -0.088 0.000 1.327 286 F CB 0.228 39.153 39.000 -0.124 0.000 0.953 286 F HN 0.481 nan 8.300 nan 0.000 0.507 287 E N 0.188 120.467 120.200 0.130 0.000 2.442 287 E HA 0.235 4.585 4.350 0.001 0.000 0.195 287 E C 1.234 177.849 176.600 0.026 0.000 1.030 287 E CA 0.307 56.752 56.400 0.075 0.000 0.869 287 E CB 0.490 30.221 29.700 0.052 0.000 0.857 287 E HN 0.387 nan 8.360 nan 0.000 0.505 288 G N 0.392 109.234 108.800 0.069 0.000 2.646 288 G HA2 0.305 4.266 3.960 0.001 0.000 0.291 288 G HA3 0.305 4.266 3.960 0.001 0.000 0.291 288 G C -1.560 173.226 174.900 -0.189 0.000 1.445 288 G CA -0.733 44.298 45.100 -0.115 0.000 0.814 288 G HN -0.053 nan 8.290 nan 0.000 0.495 289 E N -0.656 119.338 120.200 -0.343 0.000 2.266 289 E HA 0.568 4.918 4.350 0.001 0.000 0.277 289 E C -1.392 174.849 176.600 -0.597 0.000 1.018 289 E CA -0.619 55.638 56.400 -0.239 0.000 0.840 289 E CB 0.946 30.630 29.700 -0.027 0.000 1.082 289 E HN 0.394 nan 8.360 nan 0.000 0.395 290 Y N 2.493 122.771 120.300 -0.038 0.000 2.445 290 Y HA 0.190 4.740 4.550 0.001 0.000 0.332 290 Y C -0.686 175.282 175.900 0.115 0.000 1.037 290 Y CA -1.024 56.994 58.100 -0.135 0.000 1.296 290 Y CB 1.331 39.451 38.460 -0.567 0.000 1.099 290 Y HN 0.402 nan 8.280 nan 0.000 0.496 291 D N 2.614 123.231 120.400 0.362 0.000 2.373 291 D HA 0.060 4.700 4.640 0.001 0.000 0.227 291 D C -0.800 175.820 176.300 0.534 0.000 1.091 291 D CA -0.527 53.701 54.000 0.380 0.000 0.840 291 D CB 0.545 41.476 40.800 0.218 0.000 1.060 291 D HN 0.447 nan 8.370 nan 0.000 0.502 292 Y N 3.822 124.382 120.300 0.433 0.000 2.620 292 Y HA 0.060 4.610 4.550 0.001 0.000 0.330 292 Y C 0.456 176.393 175.900 0.063 0.000 1.186 292 Y CA 0.317 58.533 58.100 0.193 0.000 1.467 292 Y CB 0.725 39.315 38.460 0.217 0.000 1.262 292 Y HN 0.224 nan 8.280 nan 0.000 0.550 293 V N 3.801 123.290 119.914 -0.707 0.000 2.743 293 V HA 0.183 4.303 4.120 0.001 0.000 0.237 293 V C 0.556 176.078 176.094 -0.954 0.000 1.113 293 V CA 1.230 63.182 62.300 -0.581 0.000 1.141 293 V CB 0.395 32.037 31.823 -0.302 0.000 0.873 293 V HN 0.850 nan 8.190 nan 0.000 0.486 294 T N 0.116 113.976 114.554 -1.156 0.000 2.663 294 T HA 0.351 4.702 4.350 0.001 0.000 0.305 294 T C -2.300 172.003 174.700 -0.660 0.000 1.660 294 T CA -0.454 61.137 62.100 -0.849 0.000 0.976 294 T CB 1.603 70.248 68.868 -0.371 0.000 1.705 294 T HN 0.534 nan 8.240 nan 0.000 0.494 295 N N 1.019 119.425 118.700 -0.489 0.000 2.494 295 N HA 0.450 5.190 4.740 0.001 0.000 0.270 295 N C -1.847 173.412 175.510 -0.418 0.000 1.285 295 N CA -0.719 51.884 53.050 -0.744 0.000 0.812 295 N CB 2.194 39.627 38.487 -1.757 0.000 1.557 295 N HN 0.504 nan 8.380 nan 0.000 0.487 296 E N 0.478 120.463 120.200 -0.358 0.000 2.402 296 E HA 0.394 4.745 4.350 0.001 0.000 0.244 296 E C 0.649 177.160 176.600 -0.149 0.000 0.945 296 E CA -0.152 56.137 56.400 -0.184 0.000 0.774 296 E CB 0.999 30.622 29.700 -0.128 0.000 1.296 296 E HN 0.993 nan 8.360 nan 0.000 0.414 297 G N 3.025 111.772 108.800 -0.089 0.000 2.561 297 G HA2 -0.411 3.550 3.960 0.001 0.000 0.289 297 G HA3 -0.411 3.550 3.960 0.001 0.000 0.289 297 G C 0.941 175.837 174.900 -0.007 0.000 1.169 297 G CA 0.691 45.791 45.100 0.001 0.000 0.980 297 G HN 0.544 nan 8.290 nan 0.000 0.550 298 T N -1.394 113.169 114.554 0.015 0.000 3.129 298 T HA 0.432 4.783 4.350 0.001 0.000 0.251 298 T C 0.866 175.487 174.700 -0.131 0.000 1.117 298 T CA 1.015 63.095 62.100 -0.033 0.000 1.034 298 T CB 0.187 69.103 68.868 0.080 0.000 0.968 298 T HN 1.039 nan 8.240 nan 0.000 0.526 299 V N 2.841 122.680 119.914 -0.126 0.000 2.353 299 V HA 0.400 4.520 4.120 0.001 0.000 0.264 299 V C -0.622 175.323 176.094 -0.249 0.000 1.049 299 V CA -0.848 61.385 62.300 -0.113 0.000 0.896 299 V CB -0.642 31.135 31.823 -0.076 0.000 1.025 299 V HN 0.322 nan 8.190 nan 0.000 0.475 300 F N 2.511 122.197 119.950 -0.440 0.000 2.415 300 F HA 0.454 4.982 4.527 0.001 0.000 0.348 300 F C 0.946 176.486 175.800 -0.434 0.000 1.119 300 F CA -0.419 57.278 58.000 -0.505 0.000 1.069 300 F CB 1.699 40.292 39.000 -0.679 0.000 1.124 300 F HN 0.309 nan 8.300 nan 0.000 0.472 301 T N 5.002 119.314 114.554 -0.403 0.000 2.744 301 T HA 0.529 4.880 4.350 0.001 0.000 0.291 301 T C -0.823 173.641 174.700 -0.393 0.000 0.957 301 T CA -0.180 61.750 62.100 -0.283 0.000 1.002 301 T CB 0.036 68.757 68.868 -0.245 0.000 0.919 301 T HN 0.157 nan 8.240 nan 0.000 0.468 302 F N 1.735 121.703 119.950 0.029 0.000 2.563 302 F HA 0.506 5.033 4.527 0.001 0.000 0.316 302 F C 0.350 176.170 175.800 0.033 0.000 1.076 302 F CA -1.286 56.758 58.000 0.073 0.000 0.921 302 F CB 1.914 41.005 39.000 0.153 0.000 1.209 302 F HN 0.293 nan 8.300 nan 0.000 0.462 303 K N 1.390 121.940 120.400 0.249 0.000 2.201 303 K HA 0.584 4.904 4.320 0.001 0.000 0.278 303 K C -0.733 175.959 176.600 0.152 0.000 1.027 303 K CA -0.037 56.343 56.287 0.154 0.000 0.909 303 K CB 1.292 33.858 32.500 0.110 0.000 1.062 303 K HN 0.766 nan 8.250 nan 0.000 0.465 304 T N 1.663 116.272 114.554 0.093 0.000 2.864 304 T HA 0.280 4.630 4.350 0.001 0.000 0.299 304 T C -0.596 174.004 174.700 -0.167 0.000 1.166 304 T CA -0.821 61.215 62.100 -0.107 0.000 1.007 304 T CB 0.844 69.571 68.868 -0.235 0.000 1.219 304 T HN 0.806 nan 8.240 nan 0.000 0.506 305 N N 1.012 119.476 118.700 -0.393 0.000 2.200 305 N HA 0.154 4.895 4.740 0.001 0.000 0.224 305 N C 0.118 175.418 175.510 -0.350 0.000 1.179 305 N CA -0.530 52.160 53.050 -0.600 0.000 0.877 305 N CB -0.036 37.841 38.487 -1.016 0.000 1.072 305 N HN 0.349 nan 8.380 nan 0.000 0.519 306 R N 1.459 121.791 120.500 -0.280 0.000 2.446 306 R HA 0.005 4.345 4.340 0.001 0.000 0.325 306 R C -0.457 175.785 176.300 -0.097 0.000 0.997 306 R CA 0.448 56.422 56.100 -0.209 0.000 1.010 306 R CB -1.452 28.838 30.300 -0.016 0.000 0.946 306 R HN 0.459 nan 8.270 nan 0.000 0.422 307 H N 1.272 120.328 119.070 -0.023 0.000 2.776 307 H HA -0.211 4.345 4.556 0.001 0.000 0.300 307 H C -0.897 174.418 175.328 -0.022 0.000 1.161 307 H CA 1.378 57.418 56.048 -0.012 0.000 1.147 307 H CB -1.255 28.515 29.762 0.013 0.000 1.366 307 H HN 0.648 nan 8.280 nan 0.000 0.397 308 S N -1.836 113.858 115.700 -0.010 0.000 2.413 308 S HA 0.211 4.681 4.470 0.001 0.000 0.170 308 S C -1.875 172.635 174.600 -0.151 0.000 1.294 308 S CA -0.884 57.296 58.200 -0.033 0.000 1.201 308 S CB 2.000 65.193 63.200 -0.012 0.000 1.328 308 S HN -0.041 nan 8.310 nan 0.000 0.418 309 P HA -0.072 nan 4.420 nan 0.000 0.223 309 P C 0.349 177.631 177.300 -0.030 0.000 1.144 309 P CA 1.004 64.042 63.100 -0.102 0.000 0.783 309 P CB -0.019 31.687 31.700 0.010 0.000 0.771 310 N N -1.680 117.061 118.700 0.069 0.000 2.280 310 N HA 0.038 4.779 4.740 0.001 0.000 0.192 310 N C -0.261 175.476 175.510 0.379 0.000 1.109 310 N CA -0.016 53.183 53.050 0.249 0.000 0.855 310 N CB -0.403 38.225 38.487 0.234 0.000 0.974 310 N HN 0.121 nan 8.380 nan 0.000 0.482 311 Y N -0.242 120.091 120.300 0.054 0.000 2.517 311 Y HA -0.315 4.236 4.550 0.001 0.000 0.021 311 Y C 0.556 176.478 175.900 0.037 0.000 1.713 311 Y CA -0.146 57.967 58.100 0.020 0.000 1.412 311 Y CB -0.523 37.924 38.460 -0.021 0.000 2.058 311 Y HN 0.226 nan 8.280 nan 0.000 0.255 312 R N 0.414 121.005 120.500 0.152 0.000 2.747 312 R HA 0.893 5.234 4.340 0.001 0.000 0.272 312 R C -2.234 174.119 176.300 0.089 0.000 1.032 312 R CA -1.349 54.819 56.100 0.113 0.000 0.896 312 R CB 1.467 31.833 30.300 0.111 0.000 1.253 312 R HN 0.505 nan 8.270 nan 0.000 0.461 313 L N 2.289 123.554 121.223 0.070 0.000 2.307 313 L HA 0.641 4.982 4.340 0.001 0.000 0.284 313 L C -0.146 176.781 176.870 0.096 0.000 1.023 313 L CA -1.033 53.844 54.840 0.062 0.000 0.810 313 L CB 1.614 43.676 42.059 0.005 0.000 1.231 313 L HN 0.595 nan 8.230 nan 0.000 0.423 314 I N 0.017 120.661 120.570 0.122 0.000 2.828 314 I HA 0.517 4.688 4.170 0.001 0.000 0.302 314 I C -1.030 175.155 176.117 0.113 0.000 1.101 314 I CA -0.777 60.609 61.300 0.143 0.000 1.031 314 I CB 2.395 40.504 38.000 0.182 0.000 1.231 314 I HN 0.509 nan 8.210 nan 0.000 0.427 315 N N 4.456 123.216 118.700 0.100 0.000 2.417 315 N HA 0.601 5.341 4.740 0.001 0.000 0.274 315 N C -1.272 174.272 175.510 0.057 0.000 0.987 315 N CA -0.619 52.469 53.050 0.064 0.000 0.912 315 N CB 2.241 40.758 38.487 0.050 0.000 1.177 315 N HN 0.454 nan 8.380 nan 0.000 0.490 316 I N 1.187 121.781 120.570 0.039 0.000 2.378 316 I HA 0.168 4.339 4.170 0.001 0.000 0.291 316 I C -0.521 175.680 176.117 0.140 0.000 0.992 316 I CA -0.694 60.594 61.300 -0.021 0.000 1.154 316 I CB 1.538 39.434 38.000 -0.172 0.000 1.315 316 I HN 0.398 nan 8.210 nan 0.000 0.448 317 D N 5.907 126.422 120.400 0.191 0.000 2.313 317 D HA 0.161 4.801 4.640 0.001 0.000 0.239 317 D C 0.780 177.261 176.300 0.301 0.000 1.142 317 D CA -0.268 53.832 54.000 0.168 0.000 0.847 317 D CB 0.908 41.801 40.800 0.155 0.000 1.082 317 D HN 0.227 nan 8.370 nan 0.000 0.480 318 F N 1.489 121.451 119.950 0.019 0.000 2.307 318 F HA -0.136 4.391 4.527 0.001 0.000 0.301 318 F C 2.557 178.408 175.800 0.085 0.000 1.076 318 F CA 1.199 59.183 58.000 -0.027 0.000 1.383 318 F CB -1.309 37.527 39.000 -0.272 0.000 1.055 318 F HN 0.443 nan 8.300 nan 0.000 0.526 319 T N -3.798 110.922 114.554 0.277 0.000 3.113 319 T HA 0.005 4.355 4.350 0.001 0.000 0.256 319 T C 0.372 175.175 174.700 0.171 0.000 1.131 319 T CA 0.651 62.872 62.100 0.201 0.000 1.074 319 T CB -0.036 68.927 68.868 0.159 0.000 0.944 319 T HN 0.034 nan 8.240 nan 0.000 0.516 320 D N 1.307 121.824 120.400 0.195 0.000 2.978 320 D HA 0.259 4.899 4.640 0.001 0.000 0.268 320 D C -1.959 174.487 176.300 0.243 0.000 1.252 320 D CA -1.627 52.480 54.000 0.178 0.000 0.771 320 D CB 1.275 42.168 40.800 0.155 0.000 1.361 320 D HN 0.032 nan 8.370 nan 0.000 0.558 321 P HA -0.072 nan 4.420 nan 0.000 0.226 321 P C -0.028 177.511 177.300 0.398 0.000 1.153 321 P CA 0.310 63.615 63.100 0.342 0.000 0.777 321 P CB 0.473 32.318 31.700 0.242 0.000 0.794 322 E N 0.783 121.100 120.200 0.195 0.000 2.442 322 E HA -0.093 4.257 4.350 0.001 0.000 0.262 322 E C 1.245 177.710 176.600 -0.224 0.000 1.004 322 E CA 0.012 56.428 56.400 0.028 0.000 0.928 322 E CB 0.508 30.200 29.700 -0.015 0.000 0.937 322 E HN 0.233 nan 8.360 nan 0.000 0.446 323 E N 1.948 121.778 120.200 -0.617 0.000 2.130 323 E HA -0.252 4.099 4.350 0.001 0.000 0.196 323 E C 1.697 177.772 176.600 -0.876 0.000 0.998 323 E CA 1.583 57.066 56.400 -1.528 0.000 0.806 323 E CB 0.078 29.076 29.700 -1.170 0.000 0.738 323 E HN 0.562 nan 8.360 nan 0.000 0.459 324 S N -0.098 115.363 115.700 -0.399 0.000 2.469 324 S HA -0.081 4.389 4.470 0.001 0.000 0.238 324 S C 1.544 176.095 174.600 -0.082 0.000 0.998 324 S CA 0.664 58.751 58.200 -0.189 0.000 0.957 324 S CB 0.002 63.136 63.200 -0.111 0.000 0.764 324 S HN 0.125 nan 8.310 nan 0.000 0.514 325 K N -0.133 120.238 120.400 -0.048 0.000 2.379 325 K HA 0.157 4.477 4.320 0.001 0.000 0.194 325 K C -0.079 176.689 176.600 0.280 0.000 1.031 325 K CA -0.197 56.159 56.287 0.115 0.000 1.037 325 K CB -0.202 32.389 32.500 0.152 0.000 0.824 325 K HN 0.448 nan 8.250 nan 0.000 0.516 326 W N 2.938 124.297 121.300 0.099 0.000 2.209 326 W HA 0.022 4.682 4.660 0.001 0.000 0.344 326 W C 0.700 177.282 176.519 0.104 0.000 1.285 326 W CA -0.572 56.846 57.345 0.121 0.000 1.267 326 W CB 0.032 29.579 29.460 0.146 0.000 1.167 326 W HN -0.265 nan 8.180 nan 0.000 0.574 327 K N 1.912 122.509 120.400 0.329 0.000 2.138 327 K HA 0.429 4.750 4.320 0.001 0.000 0.263 327 K C -0.759 175.961 176.600 0.199 0.000 0.965 327 K CA -1.191 55.223 56.287 0.211 0.000 0.868 327 K CB 1.603 34.191 32.500 0.147 0.000 1.083 327 K HN 0.119 nan 8.250 nan 0.000 0.443 328 V N 4.871 124.884 119.914 0.165 0.000 2.320 328 V HA 0.045 4.166 4.120 0.001 0.000 0.265 328 V C 1.418 177.577 176.094 0.109 0.000 1.048 328 V CA -0.321 62.067 62.300 0.147 0.000 0.865 328 V CB 0.640 32.544 31.823 0.136 0.000 1.043 328 V HN 0.612 nan 8.190 nan 0.000 0.474 329 L N 6.286 127.567 121.223 0.096 0.000 2.044 329 L HA 0.152 4.492 4.340 0.001 0.000 0.205 329 L C 0.831 177.745 176.870 0.074 0.000 1.075 329 L CA 1.970 56.854 54.840 0.073 0.000 0.747 329 L CB 0.418 42.507 42.059 0.050 0.000 0.903 329 L HN 0.428 nan 8.230 nan 0.000 0.435 330 V N 1.159 121.114 119.914 0.070 0.000 2.357 330 V HA 0.363 4.483 4.120 0.001 0.000 0.281 330 V C -2.266 173.887 176.094 0.099 0.000 1.015 330 V CA -1.549 60.797 62.300 0.076 0.000 0.827 330 V CB 0.954 32.785 31.823 0.013 0.000 1.018 330 V HN 0.103 nan 8.190 nan 0.000 0.432 331 P HA 0.032 nan 4.420 nan 0.000 0.269 331 P C 0.089 177.471 177.300 0.136 0.000 1.217 331 P CA 0.017 63.182 63.100 0.108 0.000 0.783 331 P CB 0.647 32.397 31.700 0.085 0.000 0.898 332 E N 1.671 121.947 120.200 0.127 0.000 2.413 332 E HA -0.057 4.294 4.350 0.001 0.000 0.263 332 E C -0.194 176.507 176.600 0.168 0.000 1.015 332 E CA -0.091 56.403 56.400 0.157 0.000 0.916 332 E CB 0.311 30.079 29.700 0.113 0.000 0.947 332 E HN 0.467 nan 8.360 nan 0.000 0.440 333 H N 3.437 122.584 119.070 0.129 0.000 2.505 333 H HA 0.069 4.625 4.556 0.001 0.000 0.351 333 H C 0.466 175.835 175.328 0.070 0.000 1.151 333 H CA 0.086 56.180 56.048 0.076 0.000 1.339 333 H CB 1.211 31.006 29.762 0.054 0.000 1.483 333 H HN 0.717 nan 8.280 nan 0.000 0.558 334 E N 2.225 122.240 120.200 -0.308 0.000 2.204 334 E HA -0.143 4.208 4.350 0.001 0.000 0.194 334 E C 1.192 177.836 176.600 0.074 0.000 0.989 334 E CA 0.930 57.261 56.400 -0.115 0.000 0.824 334 E CB 0.554 30.134 29.700 -0.200 0.000 0.756 334 E HN 0.521 nan 8.360 nan 0.000 0.477 335 K N -0.245 120.340 120.400 0.310 0.000 2.711 335 K HA 0.021 4.342 4.320 0.001 0.000 0.197 335 K C -0.632 176.159 176.600 0.317 0.000 1.535 335 K CA -0.083 56.373 56.287 0.280 0.000 1.170 335 K CB 0.867 33.478 32.500 0.184 0.000 1.596 335 K HN -0.118 nan 8.250 nan 0.000 0.584 336 D N 1.889 122.504 120.400 0.359 0.000 2.351 336 D HA 0.082 4.723 4.640 0.001 0.000 0.251 336 D C -0.563 175.877 176.300 0.234 0.000 1.137 336 D CA 0.006 54.070 54.000 0.107 0.000 0.879 336 D CB 1.700 42.327 40.800 -0.289 0.000 1.181 336 D HN -0.137 nan 8.370 nan 0.000 0.448 337 V N 3.120 123.140 119.914 0.176 0.000 2.488 337 V HA 0.022 4.142 4.120 0.001 0.000 0.277 337 V C 0.336 176.468 176.094 0.063 0.000 1.046 337 V CA -0.727 61.665 62.300 0.154 0.000 0.986 337 V CB 1.268 33.119 31.823 0.046 0.000 0.989 337 V HN 0.335 nan 8.190 nan 0.000 0.475 338 L N 5.713 126.914 121.223 -0.037 0.000 2.363 338 L HA 0.279 4.619 4.340 0.001 0.000 0.286 338 L C 1.214 177.831 176.870 -0.422 0.000 1.106 338 L CA 0.667 55.221 54.840 -0.477 0.000 0.859 338 L CB -0.023 41.811 42.059 -0.376 0.000 1.223 338 L HN 0.714 nan 8.230 nan 0.000 0.446 339 E N 5.250 125.181 120.200 -0.448 0.000 2.047 339 E HA -0.035 4.316 4.350 0.001 0.000 0.191 339 E C -0.482 176.014 176.600 -0.172 0.000 0.987 339 E CA 1.402 57.613 56.400 -0.314 0.000 0.799 339 E CB 0.154 29.738 29.700 -0.194 0.000 0.752 339 E HN 0.750 nan 8.360 nan 0.000 0.449 340 W N -1.552 119.572 121.300 -0.294 0.000 3.059 340 W HA 0.561 5.221 4.660 0.001 0.000 0.329 340 W C -1.743 174.614 176.519 -0.270 0.000 1.246 340 W CA -0.806 56.393 57.345 -0.242 0.000 1.190 340 W CB 0.673 30.024 29.460 -0.182 0.000 1.423 340 W HN -0.383 nan 8.180 nan 0.000 0.571 341 V N 1.205 121.216 119.914 0.162 0.000 2.888 341 V HA 0.825 4.946 4.120 0.001 0.000 0.309 341 V C -0.362 175.805 176.094 0.122 0.000 1.114 341 V CA -0.648 61.652 62.300 0.001 0.000 0.940 341 V CB 1.166 32.919 31.823 -0.117 0.000 1.021 341 V HN 0.934 nan 8.190 nan 0.000 0.426 342 A N 2.077 124.938 122.820 0.068 0.000 2.454 342 A HA 0.836 5.157 4.320 0.001 0.000 0.302 342 A C -0.892 176.737 177.584 0.075 0.000 1.079 342 A CA -0.513 51.571 52.037 0.077 0.000 0.731 342 A CB 1.872 20.910 19.000 0.065 0.000 1.299 342 A HN 1.119 nan 8.150 nan 0.000 0.413 343 C N 1.633 120.984 119.300 0.085 0.000 2.351 343 C HA 0.830 5.291 4.460 0.001 0.000 0.326 343 C C -0.391 174.700 174.990 0.168 0.000 1.272 343 C CA -0.144 58.925 59.018 0.086 0.000 1.650 343 C CB -0.023 27.707 27.740 -0.015 0.000 2.257 343 C HN 1.121 nan 8.230 nan 0.000 0.505 344 V N 6.683 126.727 119.914 0.217 0.000 3.114 344 V HA 0.681 4.801 4.120 0.001 0.000 0.308 344 V C 0.332 176.552 176.094 0.210 0.000 1.168 344 V CA -0.577 61.865 62.300 0.238 0.000 1.015 344 V CB 1.790 33.806 31.823 0.322 0.000 1.050 344 V HN 1.044 nan 8.190 nan 0.000 0.433 345 R N 3.294 123.879 120.500 0.143 0.000 3.333 345 R HA -0.216 4.124 4.340 0.001 0.000 0.256 345 R C 0.950 177.208 176.300 -0.070 0.000 1.010 345 R CA 0.876 57.004 56.100 0.047 0.000 0.680 345 R CB -1.443 28.905 30.300 0.081 0.000 1.102 345 R HN 1.348 nan 8.270 nan 0.000 0.440 346 S N -1.857 113.831 115.700 -0.020 0.000 1.694 346 S HA -0.355 4.115 4.470 0.001 0.000 0.236 346 S C 0.599 175.159 174.600 -0.066 0.000 0.821 346 S CA 2.101 60.272 58.200 -0.048 0.000 1.530 346 S CB -0.946 62.209 63.200 -0.075 0.000 1.703 346 S HN 0.917 nan 8.310 nan 0.000 0.517 347 N N 0.272 118.884 118.700 -0.146 0.000 2.338 347 N HA 0.442 5.183 4.740 0.001 0.000 0.251 347 N C -0.743 174.762 175.510 -0.008 0.000 1.199 347 N CA -0.359 52.624 53.050 -0.111 0.000 0.879 347 N CB 0.322 38.724 38.487 -0.143 0.000 1.159 347 N HN 0.287 nan 8.380 nan 0.000 0.514 348 F N 1.111 121.082 119.950 0.035 0.000 2.492 348 F HA 0.577 5.104 4.527 0.001 0.000 0.327 348 F C -0.069 175.765 175.800 0.057 0.000 1.079 348 F CA -1.453 56.581 58.000 0.056 0.000 0.967 348 F CB 1.548 40.599 39.000 0.085 0.000 1.169 348 F HN -0.082 nan 8.300 nan 0.000 0.472 349 L N 2.856 124.238 121.223 0.265 0.000 2.385 349 L HA 0.601 4.941 4.340 0.001 0.000 0.273 349 L C -1.064 175.854 176.870 0.081 0.000 0.990 349 L CA -0.982 53.930 54.840 0.120 0.000 0.821 349 L CB 2.155 44.238 42.059 0.041 0.000 1.279 349 L HN 0.167 nan 8.230 nan 0.000 0.412 350 V N 4.815 124.746 119.914 0.028 0.000 2.350 350 V HA 0.405 4.525 4.120 0.001 0.000 0.276 350 V C 0.037 175.971 176.094 -0.266 0.000 1.028 350 V CA -0.371 61.902 62.300 -0.045 0.000 0.860 350 V CB 1.530 33.335 31.823 -0.031 0.000 0.990 350 V HN 0.463 nan 8.190 nan 0.000 0.453 351 L N 4.675 125.707 121.223 -0.319 0.000 2.322 351 L HA 0.548 4.888 4.340 0.001 0.000 0.281 351 L C -0.344 176.116 176.870 -0.683 0.000 1.014 351 L CA -0.278 54.231 54.840 -0.551 0.000 0.815 351 L CB 1.731 43.485 42.059 -0.508 0.000 1.247 351 L HN 0.652 nan 8.230 nan 0.000 0.421 352 C N 3.914 122.552 119.300 -1.103 0.000 2.301 352 C HA 0.580 5.041 4.460 0.001 0.000 0.323 352 C C -0.258 174.284 174.990 -0.747 0.000 1.265 352 C CA -0.380 58.026 59.018 -1.020 0.000 1.503 352 C CB -0.295 26.338 27.740 -1.845 0.000 2.195 352 C HN 0.638 nan 8.230 nan 0.000 0.477 353 Y N 3.748 123.838 120.300 -0.351 0.000 2.453 353 Y HA 0.672 5.222 4.550 0.001 0.000 0.326 353 Y C 0.005 175.818 175.900 -0.146 0.000 1.186 353 Y CA -0.747 57.215 58.100 -0.230 0.000 1.200 353 Y CB 1.325 39.669 38.460 -0.193 0.000 1.247 353 Y HN 0.538 nan 8.280 nan 0.000 0.482 354 L N 2.648 123.916 121.223 0.075 0.000 2.316 354 L HA 0.365 4.705 4.340 0.001 0.000 0.280 354 L C -1.401 175.506 176.870 0.062 0.000 1.006 354 L CA -0.404 54.456 54.840 0.034 0.000 0.836 354 L CB 0.402 42.433 42.059 -0.047 0.000 1.221 354 L HN 0.670 nan 8.230 nan 0.000 0.418 355 H N 4.247 123.312 119.070 -0.008 0.000 2.638 355 H HA 0.352 4.909 4.556 0.001 0.000 0.317 355 H C -0.522 174.835 175.328 0.047 0.000 1.006 355 H CA -0.337 55.710 56.048 -0.002 0.000 1.222 355 H CB 0.569 30.319 29.762 -0.021 0.000 1.419 355 H HN 0.678 nan 8.280 nan 0.000 0.489 356 D N 4.479 124.718 120.400 -0.268 0.000 2.686 356 D HA -0.184 4.457 4.640 0.001 0.000 0.235 356 D C 0.278 176.564 176.300 -0.023 0.000 1.160 356 D CA 1.266 55.215 54.000 -0.085 0.000 0.645 356 D CB -1.194 39.599 40.800 -0.013 0.000 1.039 356 D HN 0.608 nan 8.370 nan 0.000 0.423 357 V N -2.802 117.051 119.914 -0.101 0.000 4.591 357 V HA -0.358 3.762 4.120 0.001 0.000 0.261 357 V C 0.619 176.855 176.094 0.235 0.000 0.425 357 V CA 1.836 64.155 62.300 0.031 0.000 0.826 357 V CB -1.890 29.942 31.823 0.014 0.000 0.812 357 V HN 0.499 nan 8.190 nan 0.000 1.340 358 K N 0.144 120.653 120.400 0.183 0.000 2.422 358 K HA 0.600 4.920 4.320 0.001 0.000 0.251 358 K C -0.209 176.485 176.600 0.156 0.000 0.933 358 K CA -0.725 55.684 56.287 0.202 0.000 0.798 358 K CB 2.153 34.808 32.500 0.259 0.000 1.238 358 K HN 0.371 nan 8.250 nan 0.000 0.428 359 N N 0.502 119.290 118.700 0.146 0.000 2.524 359 N HA 0.304 5.044 4.740 0.001 0.000 0.283 359 N C -0.973 174.607 175.510 0.117 0.000 1.142 359 N CA -0.186 52.936 53.050 0.120 0.000 0.984 359 N CB 1.132 39.698 38.487 0.131 0.000 1.155 359 N HN 0.543 nan 8.380 nan 0.000 0.467 360 T N -0.918 113.670 114.554 0.057 0.000 2.900 360 T HA 0.533 4.884 4.350 0.001 0.000 0.295 360 T C -0.828 173.854 174.700 -0.030 0.000 1.044 360 T CA -0.870 61.242 62.100 0.020 0.000 0.995 360 T CB 1.049 69.910 68.868 -0.011 0.000 1.072 360 T HN 0.175 nan 8.240 nan 0.000 0.473 361 L N 1.784 122.982 121.223 -0.041 0.000 2.381 361 L HA 0.540 4.881 4.340 0.001 0.000 0.274 361 L C -0.682 176.187 176.870 -0.001 0.000 0.988 361 L CA -0.663 54.133 54.840 -0.073 0.000 0.824 361 L CB 2.095 44.074 42.059 -0.133 0.000 1.263 361 L HN 0.819 nan 8.230 nan 0.000 0.410 362 Q N 3.043 122.834 119.800 -0.015 0.000 2.423 362 Q HA 0.559 4.899 4.340 0.001 0.000 0.278 362 Q C -1.574 174.419 176.000 -0.012 0.000 1.097 362 Q CA -0.933 54.827 55.803 -0.073 0.000 0.809 362 Q CB 3.625 32.424 28.738 0.102 0.000 1.391 362 Q HN 0.360 nan 8.270 nan 0.000 0.428 363 L N 1.459 122.548 121.223 -0.223 0.000 2.322 363 L HA 0.468 4.809 4.340 0.001 0.000 0.281 363 L C -1.184 175.602 176.870 -0.141 0.000 1.014 363 L CA -0.025 54.716 54.840 -0.165 0.000 0.815 363 L CB 1.043 42.830 42.059 -0.453 0.000 1.247 363 L HN 0.618 nan 8.230 nan 0.000 0.421 364 H N 1.513 120.512 119.070 -0.118 0.000 2.834 364 H HA 0.280 4.837 4.556 0.001 0.000 0.369 364 H C -1.392 173.979 175.328 0.072 0.000 1.174 364 H CA -0.942 55.084 56.048 -0.037 0.000 1.165 364 H CB 2.287 32.041 29.762 -0.013 0.000 1.820 364 H HN 0.545 nan 8.280 nan 0.000 0.558 365 D N 1.186 121.703 120.400 0.195 0.000 2.308 365 D HA -0.006 4.634 4.640 0.001 0.000 0.251 365 D C 0.855 177.248 176.300 0.154 0.000 1.127 365 D CA -0.431 53.690 54.000 0.202 0.000 0.876 365 D CB 1.141 42.015 40.800 0.124 0.000 1.176 365 D HN 0.287 nan 8.370 nan 0.000 0.446 366 L N 4.739 126.037 121.223 0.125 0.000 2.093 366 L HA 0.061 4.402 4.340 0.001 0.000 0.208 366 L C 1.926 178.815 176.870 0.032 0.000 1.085 366 L CA 2.166 57.041 54.840 0.059 0.000 0.755 366 L CB -0.744 41.327 42.059 0.020 0.000 0.904 366 L HN 0.585 nan 8.230 nan 0.000 0.435 367 A N -1.387 121.451 122.820 0.030 0.000 1.930 367 A HA -0.141 4.179 4.320 0.001 0.000 0.217 367 A C 2.226 179.829 177.584 0.032 0.000 1.175 367 A CA 2.098 54.147 52.037 0.019 0.000 0.627 367 A CB -0.916 18.091 19.000 0.012 0.000 0.815 367 A HN 0.601 nan 8.150 nan 0.000 0.443 368 T N -6.270 108.313 114.554 0.048 0.000 2.969 368 T HA 0.431 4.781 4.350 0.001 0.000 0.250 368 T C 1.449 176.193 174.700 0.073 0.000 1.021 368 T CA 1.092 63.224 62.100 0.052 0.000 1.003 368 T CB 0.372 69.267 68.868 0.045 0.000 1.040 368 T HN 1.681 nan 8.240 nan 0.000 0.492 369 G N 1.761 110.619 108.800 0.097 0.000 2.179 369 G HA2 -0.050 3.910 3.960 0.001 0.000 0.260 369 G HA3 -0.050 3.910 3.960 0.001 0.000 0.260 369 G C 0.348 175.385 174.900 0.229 0.000 0.977 369 G CA -0.005 45.183 45.100 0.146 0.000 0.641 369 G HN 1.233 nan 8.290 nan 0.000 0.533 370 A N -0.058 122.834 122.820 0.119 0.000 2.462 370 A HA 0.641 4.961 4.320 0.001 0.000 0.243 370 A C 0.612 178.110 177.584 -0.143 0.000 1.076 370 A CA 0.248 52.303 52.037 0.030 0.000 0.773 370 A CB 0.574 19.573 19.000 -0.002 0.000 1.010 370 A HN 1.631 nan 8.150 nan 0.000 0.493 371 L N 2.460 123.474 121.223 -0.348 0.000 2.455 371 L HA 0.254 4.594 4.340 0.001 0.000 0.272 371 L C 0.494 177.124 176.870 -0.400 0.000 1.174 371 L CA 0.608 55.016 54.840 -0.721 0.000 0.869 371 L CB 0.135 41.892 42.059 -0.504 0.000 1.130 371 L HN 0.731 nan 8.230 nan 0.000 0.474 372 L N 2.786 123.759 121.223 -0.417 0.000 2.547 372 L HA 0.371 4.711 4.340 0.001 0.000 0.218 372 L C 0.160 176.832 176.870 -0.331 0.000 1.048 372 L CA -0.065 54.604 54.840 -0.286 0.000 0.859 372 L CB 0.053 41.972 42.059 -0.234 0.000 1.128 372 L HN 0.601 nan 8.230 nan 0.000 0.483 373 K N 0.248 120.378 120.400 -0.450 0.000 2.557 373 K HA 0.457 4.777 4.320 0.001 0.000 0.261 373 K C -1.689 174.525 176.600 -0.643 0.000 0.932 373 K CA -0.302 55.671 56.287 -0.523 0.000 0.829 373 K CB 1.851 33.971 32.500 -0.632 0.000 1.358 373 K HN -0.193 nan 8.250 nan 0.000 0.430 374 I N 4.654 124.916 120.570 -0.513 0.000 2.336 374 I HA 0.335 4.506 4.170 0.001 0.000 0.292 374 I C -0.575 175.283 176.117 -0.431 0.000 0.991 374 I CA -0.566 60.482 61.300 -0.420 0.000 1.227 374 I CB 0.665 38.518 38.000 -0.244 0.000 1.366 374 I HN 0.530 nan 8.210 nan 0.000 0.466 375 F N 7.519 127.362 119.950 -0.179 0.000 2.375 375 F HA 0.334 4.862 4.527 0.001 0.000 0.362 375 F C -1.583 174.103 175.800 -0.190 0.000 1.129 375 F CA -2.590 55.294 58.000 -0.193 0.000 1.154 375 F CB 0.177 39.002 39.000 -0.292 0.000 1.205 375 F HN 0.257 nan 8.300 nan 0.000 0.513 376 P HA 0.209 nan 4.420 nan 0.000 0.268 376 P C -0.813 176.409 177.300 -0.130 0.000 1.204 376 P CA 0.171 63.230 63.100 -0.069 0.000 0.768 376 P CB 1.369 33.031 31.700 -0.063 0.000 0.842 377 L N 1.514 122.664 121.223 -0.122 0.000 2.424 377 L HA 0.389 4.730 4.340 0.001 0.000 0.258 377 L C 0.643 177.401 176.870 -0.187 0.000 0.995 377 L CA -1.102 53.605 54.840 -0.222 0.000 0.821 377 L CB 2.247 44.252 42.059 -0.089 0.000 1.383 377 L HN 0.260 nan 8.230 nan 0.000 0.410 378 E N 0.616 120.587 120.200 -0.382 0.000 2.405 378 E HA 0.238 4.588 4.350 0.001 0.000 0.253 378 E C -0.666 176.044 176.600 0.183 0.000 1.257 378 E CA -0.530 55.810 56.400 -0.101 0.000 0.960 378 E CB 1.117 30.763 29.700 -0.089 0.000 1.077 378 E HN 0.172 nan 8.360 nan 0.000 0.512 379 V N 1.067 121.144 119.914 0.271 0.000 2.446 379 V HA 0.433 4.553 4.120 0.001 0.000 0.276 379 V C 0.847 177.159 176.094 0.364 0.000 1.030 379 V CA 1.217 63.699 62.300 0.304 0.000 1.033 379 V CB 0.009 31.973 31.823 0.235 0.000 0.993 379 V HN 0.799 nan 8.190 nan 0.000 0.477 380 G N 4.210 113.186 108.800 0.293 0.000 2.441 380 G HA2 0.451 4.411 3.960 0.001 0.000 0.225 380 G HA3 0.451 4.411 3.960 0.001 0.000 0.225 380 G C -1.008 173.817 174.900 -0.124 0.000 1.200 380 G CA -0.183 44.848 45.100 -0.116 0.000 0.947 380 G HN 0.591 nan 8.290 nan 0.000 0.484 381 S N -1.271 114.198 115.700 -0.385 0.000 2.570 381 S HA 0.686 5.156 4.470 0.001 0.000 0.286 381 S C -0.732 173.853 174.600 -0.025 0.000 1.099 381 S CA -0.508 57.613 58.200 -0.131 0.000 0.913 381 S CB 2.067 65.175 63.200 -0.153 0.000 1.085 381 S HN 0.805 nan 8.310 nan 0.000 0.480 382 V N 2.965 122.986 119.914 0.178 0.000 2.383 382 V HA 0.256 4.377 4.120 0.001 0.000 0.275 382 V C 0.806 177.051 176.094 0.253 0.000 1.036 382 V CA -0.272 62.221 62.300 0.321 0.000 0.889 382 V CB 1.075 33.157 31.823 0.433 0.000 0.985 382 V HN 0.864 nan 8.190 nan 0.000 0.459 383 V N 1.867 121.906 119.914 0.208 0.000 3.477 383 V HA 0.704 4.824 4.120 0.001 0.000 0.297 383 V C 0.602 176.783 176.094 0.144 0.000 1.433 383 V CA 0.533 62.914 62.300 0.135 0.000 1.052 383 V CB 0.291 32.159 31.823 0.076 0.000 0.895 383 V HN 0.805 nan 8.190 nan 0.000 0.438 384 G N -0.528 108.408 108.800 0.227 0.000 2.733 384 G HA2 0.620 4.580 3.960 0.001 0.000 0.297 384 G HA3 0.620 4.580 3.960 0.001 0.000 0.297 384 G C -2.263 172.837 174.900 0.334 0.000 1.422 384 G CA -0.772 44.460 45.100 0.219 0.000 0.942 384 G HN 0.449 nan 8.290 nan 0.000 0.510 385 Y N 1.049 121.413 120.300 0.106 0.000 2.521 385 Y HA 0.660 5.210 4.550 0.001 0.000 0.332 385 Y C -0.750 175.232 175.900 0.137 0.000 1.121 385 Y CA -0.717 57.477 58.100 0.156 0.000 1.037 385 Y CB 2.027 40.476 38.460 -0.020 0.000 1.330 385 Y HN 1.095 nan 8.280 nan 0.000 0.452 386 S N 3.374 118.590 115.700 -0.808 0.000 2.540 386 S HA 0.928 5.398 4.470 0.001 0.000 0.275 386 S C -0.604 173.571 174.600 -0.708 0.000 1.123 386 S CA -0.347 57.555 58.200 -0.497 0.000 0.907 386 S CB 1.659 64.895 63.200 0.059 0.000 1.081 386 S HN 2.000 nan 8.310 nan 0.000 0.476 387 G N 2.655 111.297 108.800 -0.263 0.000 2.145 387 G HA2 0.286 4.247 3.960 0.001 0.000 0.174 387 G HA3 0.286 4.247 3.960 0.001 0.000 0.174 387 G C -0.987 174.037 174.900 0.207 0.000 1.726 387 G CA -0.426 44.682 45.100 0.014 0.000 1.080 387 G HN 1.026 nan 8.290 nan 0.000 0.606 388 Q N 1.601 121.500 119.800 0.164 0.000 2.166 388 Q HA 0.558 4.899 4.340 0.001 0.000 0.226 388 Q C 1.436 177.524 176.000 0.147 0.000 0.989 388 Q CA -0.742 55.163 55.803 0.170 0.000 0.966 388 Q CB 1.732 30.555 28.738 0.141 0.000 1.173 388 Q HN 0.283 nan 8.270 nan 0.000 0.509 389 K N 0.380 120.856 120.400 0.126 0.000 2.089 389 K HA -0.230 4.090 4.320 0.001 0.000 0.210 389 K C 1.810 178.457 176.600 0.078 0.000 1.048 389 K CA 2.369 58.713 56.287 0.094 0.000 0.926 389 K CB -0.042 32.504 32.500 0.076 0.000 0.714 389 K HN 0.671 nan 8.250 nan 0.000 0.448 390 K N -0.247 120.198 120.400 0.077 0.000 2.418 390 K HA 0.019 4.340 4.320 0.001 0.000 0.195 390 K C -0.137 176.496 176.600 0.056 0.000 1.035 390 K CA 0.348 56.669 56.287 0.056 0.000 1.003 390 K CB 0.146 32.673 32.500 0.046 0.000 0.793 390 K HN -0.002 nan 8.250 nan 0.000 0.494 391 D N 2.315 122.761 120.400 0.077 0.000 2.357 391 D HA -0.014 4.626 4.640 0.001 0.000 0.242 391 D C 0.618 176.976 176.300 0.097 0.000 1.153 391 D CA 0.453 54.504 54.000 0.085 0.000 0.918 391 D CB 1.694 42.557 40.800 0.107 0.000 1.181 391 D HN 0.294 nan 8.370 nan 0.000 0.435 392 T N -2.403 112.209 114.554 0.097 0.000 3.182 392 T HA 0.223 4.573 4.350 0.001 0.000 0.277 392 T C 0.206 174.962 174.700 0.093 0.000 1.013 392 T CA -0.503 61.656 62.100 0.097 0.000 0.900 392 T CB 0.003 68.917 68.868 0.076 0.000 1.098 392 T HN 0.579 nan 8.240 nan 0.000 0.543 393 E N 0.985 121.236 120.200 0.085 0.000 2.407 393 E HA 0.617 4.968 4.350 0.001 0.000 0.279 393 E C -1.281 175.303 176.600 -0.026 0.000 1.012 393 E CA -1.416 54.969 56.400 -0.026 0.000 0.800 393 E CB 1.719 31.417 29.700 -0.003 0.000 1.276 393 E HN 0.412 nan 8.360 nan 0.000 0.452 394 I N -1.730 118.729 120.570 -0.185 0.000 2.785 394 I HA 0.723 4.894 4.170 0.001 0.000 0.302 394 I C -1.448 174.506 176.117 -0.272 0.000 1.069 394 I CA -1.213 60.027 61.300 -0.099 0.000 1.045 394 I CB 1.624 39.671 38.000 0.077 0.000 1.236 394 I HN 0.441 nan 8.210 nan 0.000 0.429 395 F N 3.579 123.509 119.950 -0.034 0.000 2.551 395 F HA 0.699 5.227 4.527 0.001 0.000 0.316 395 F C -0.795 175.083 175.800 0.131 0.000 1.089 395 F CA -0.518 57.469 58.000 -0.021 0.000 0.915 395 F CB 2.187 41.170 39.000 -0.028 0.000 1.186 395 F HN 0.547 nan 8.300 nan 0.000 0.456 396 Y N -0.107 120.378 120.300 0.308 0.000 2.544 396 Y HA 0.638 5.188 4.550 0.001 0.000 0.342 396 Y C -1.427 174.711 175.900 0.395 0.000 1.062 396 Y CA -1.321 56.992 58.100 0.355 0.000 1.023 396 Y CB 1.383 40.068 38.460 0.375 0.000 1.308 396 Y HN 0.617 nan 8.280 nan 0.000 0.457 397 Q N 2.897 122.999 119.800 0.503 0.000 2.333 397 Q HA 0.560 4.900 4.340 0.001 0.000 0.267 397 Q C -2.166 174.113 176.000 0.465 0.000 1.012 397 Q CA -0.909 55.130 55.803 0.395 0.000 0.824 397 Q CB 1.989 30.899 28.738 0.287 0.000 1.290 397 Q HN 0.767 nan 8.270 nan 0.000 0.449 398 F N 2.103 122.229 119.950 0.293 0.000 2.508 398 F HA 0.694 5.221 4.527 0.001 0.000 0.325 398 F C -0.824 175.061 175.800 0.143 0.000 1.090 398 F CA -0.184 57.974 58.000 0.264 0.000 0.945 398 F CB 2.214 41.442 39.000 0.381 0.000 1.156 398 F HN 0.485 nan 8.300 nan 0.000 0.463 399 T N 3.055 117.149 114.554 -0.766 0.000 2.864 399 T HA 0.747 5.098 4.350 0.001 0.000 0.299 399 T C -1.212 172.966 174.700 -0.870 0.000 1.166 399 T CA -0.078 61.685 62.100 -0.561 0.000 1.007 399 T CB 1.314 70.057 68.868 -0.209 0.000 1.219 399 T HN 1.018 nan 8.240 nan 0.000 0.506 400 S N 0.905 116.341 115.700 -0.439 0.000 2.752 400 S HA 0.560 5.030 4.470 0.001 0.000 0.284 400 S C 0.112 174.615 174.600 -0.162 0.000 1.189 400 S CA -0.699 57.271 58.200 -0.383 0.000 0.835 400 S CB 0.328 63.447 63.200 -0.136 0.000 1.192 400 S HN 0.441 nan 8.310 nan 0.000 0.506 401 F N 0.444 120.370 119.950 -0.040 0.000 2.216 401 F HA 0.228 4.756 4.527 0.001 0.000 0.300 401 F C 1.788 177.660 175.800 0.120 0.000 1.085 401 F CA 1.158 59.154 58.000 -0.007 0.000 1.326 401 F CB -0.440 38.513 39.000 -0.080 0.000 1.027 401 F HN 0.367 nan 8.300 nan 0.000 0.497 402 L N -1.419 120.000 121.223 0.327 0.000 2.638 402 L HA 0.200 4.540 4.340 0.001 0.000 0.232 402 L C 0.466 177.494 176.870 0.263 0.000 1.099 402 L CA -0.037 54.989 54.840 0.311 0.000 0.883 402 L CB -0.104 42.094 42.059 0.232 0.000 1.136 402 L HN -0.022 nan 8.230 nan 0.000 0.492 403 S N -2.106 113.656 115.700 0.104 0.000 2.521 403 S HA 0.479 4.949 4.470 0.001 0.000 0.295 403 S C -2.290 171.935 174.600 -0.625 0.000 1.098 403 S CA -1.330 56.738 58.200 -0.220 0.000 0.999 403 S CB 2.222 65.409 63.200 -0.023 0.000 1.034 403 S HN -0.257 nan 8.310 nan 0.000 0.483 404 P HA 0.151 nan 4.420 nan 0.000 0.215 404 P C 0.792 177.932 177.300 -0.266 0.000 1.157 404 P CA 2.084 64.629 63.100 -0.925 0.000 0.874 404 P CB -0.227 31.062 31.700 -0.684 0.000 0.790 405 G N -2.196 106.513 108.800 -0.152 0.000 2.361 405 G HA2 0.298 4.258 3.960 0.001 0.000 0.305 405 G HA3 0.298 4.258 3.960 0.001 0.000 0.305 405 G C -1.990 172.935 174.900 0.041 0.000 1.367 405 G CA -0.786 44.328 45.100 0.024 0.000 0.951 405 G HN 0.010 nan 8.290 nan 0.000 0.615 406 I N 0.147 120.772 120.570 0.093 0.000 2.607 406 I HA 0.470 4.640 4.170 0.001 0.000 0.290 406 I C -0.436 175.576 176.117 -0.175 0.000 1.129 406 I CA -0.804 60.415 61.300 -0.135 0.000 1.042 406 I CB 2.329 40.119 38.000 -0.349 0.000 1.242 406 I HN 0.390 nan 8.210 nan 0.000 0.421 407 I N 5.752 126.195 120.570 -0.212 0.000 2.339 407 I HA 0.352 4.523 4.170 0.001 0.000 0.290 407 I C -0.948 175.022 176.117 -0.245 0.000 0.994 407 I CA -0.490 60.764 61.300 -0.077 0.000 1.191 407 I CB 0.930 38.994 38.000 0.107 0.000 1.343 407 I HN 0.377 nan 8.210 nan 0.000 0.458 408 Y N 4.551 124.709 120.300 -0.236 0.000 2.496 408 Y HA 0.473 5.023 4.550 0.001 0.000 0.331 408 Y C 0.186 175.838 175.900 -0.412 0.000 1.140 408 Y CA -0.500 57.346 58.100 -0.423 0.000 1.166 408 Y CB 1.239 39.112 38.460 -0.979 0.000 1.249 408 Y HN 0.470 nan 8.280 nan 0.000 0.479 409 H N 0.988 119.882 119.070 -0.293 0.000 2.768 409 H HA 0.581 5.137 4.556 0.001 0.000 0.371 409 H C -1.754 173.347 175.328 -0.379 0.000 1.151 409 H CA -0.756 54.924 56.048 -0.613 0.000 1.165 409 H CB 2.182 31.486 29.762 -0.763 0.000 1.722 409 H HN 0.810 nan 8.280 nan 0.000 0.543 410 C N 4.989 123.634 119.300 -1.090 0.000 2.607 410 C HA 0.164 4.624 4.460 0.001 0.000 0.350 410 C C -0.847 173.735 174.990 -0.679 0.000 1.101 410 C CA -0.708 57.913 59.018 -0.663 0.000 1.282 410 C CB 0.594 28.161 27.740 -0.287 0.000 1.825 410 C HN 0.893 nan 8.230 nan 0.000 0.460 411 D N 4.277 124.395 120.400 -0.470 0.000 2.336 411 D HA 0.216 4.856 4.640 0.001 0.000 0.249 411 D C 0.834 177.104 176.300 -0.049 0.000 1.213 411 D CA -0.013 53.863 54.000 -0.207 0.000 0.870 411 D CB 0.737 41.496 40.800 -0.070 0.000 1.076 411 D HN 0.689 nan 8.370 nan 0.000 0.483 412 L N 3.066 124.304 121.223 0.026 0.000 2.627 412 L HA 0.012 4.352 4.340 0.001 0.000 0.233 412 L C 2.017 179.001 176.870 0.189 0.000 1.144 412 L CA 0.471 55.413 54.840 0.170 0.000 0.892 412 L CB -0.314 41.928 42.059 0.304 0.000 1.039 412 L HN 0.454 nan 8.230 nan 0.000 0.442 413 T N -4.559 110.055 114.554 0.101 0.000 3.081 413 T HA 0.073 4.423 4.350 0.001 0.000 0.250 413 T C 0.916 175.659 174.700 0.071 0.000 1.100 413 T CA -0.196 61.952 62.100 0.079 0.000 1.038 413 T CB 0.084 68.984 68.868 0.053 0.000 0.962 413 T HN -0.086 nan 8.240 nan 0.000 0.516 414 K N 2.046 122.488 120.400 0.069 0.000 2.249 414 K HA 0.304 4.625 4.320 0.001 0.000 0.280 414 K C 0.988 177.627 176.600 0.064 0.000 1.033 414 K CA -0.269 56.049 56.287 0.052 0.000 0.946 414 K CB 1.572 34.092 32.500 0.034 0.000 1.005 414 K HN 0.018 nan 8.250 nan 0.000 0.469 415 E N 1.717 121.945 120.200 0.048 0.000 2.033 415 E HA -0.215 4.136 4.350 0.001 0.000 0.199 415 E C -0.134 176.488 176.600 0.038 0.000 1.011 415 E CA 1.623 58.050 56.400 0.046 0.000 0.815 415 E CB 0.066 29.782 29.700 0.028 0.000 0.755 415 E HN 0.456 nan 8.360 nan 0.000 0.451 416 E N 0.217 120.430 120.200 0.022 0.000 2.014 416 E HA 0.225 4.575 4.350 0.001 0.000 0.275 416 E C -0.820 175.786 176.600 0.011 0.000 0.997 416 E CA -0.123 56.281 56.400 0.006 0.000 0.804 416 E CB 0.018 29.718 29.700 -0.001 0.000 1.090 416 E HN 0.116 nan 8.360 nan 0.000 0.401 417 L N 4.457 125.684 121.223 0.007 0.000 2.426 417 L HA 0.277 4.618 4.340 0.001 0.000 0.271 417 L C 0.411 177.303 176.870 0.037 0.000 1.169 417 L CA 0.167 55.024 54.840 0.028 0.000 0.836 417 L CB 0.418 42.491 42.059 0.024 0.000 1.112 417 L HN 0.560 nan 8.230 nan 0.000 0.465 418 E N 3.406 123.642 120.200 0.060 0.000 2.428 418 E HA 0.357 4.708 4.350 0.001 0.000 0.307 418 E C -2.885 173.752 176.600 0.061 0.000 0.902 418 E CA -1.645 54.794 56.400 0.065 0.000 0.799 418 E CB 1.395 31.113 29.700 0.031 0.000 1.351 418 E HN 0.237 nan 8.360 nan 0.000 0.392 419 P HA 0.195 nan 4.420 nan 0.000 0.272 419 P C -0.791 176.552 177.300 0.072 0.000 1.230 419 P CA -0.404 62.720 63.100 0.040 0.000 0.788 419 P CB 0.938 32.672 31.700 0.057 0.000 0.949 420 R N 0.113 120.666 120.500 0.088 0.000 2.771 420 R HA 0.468 4.809 4.340 0.001 0.000 0.274 420 R C -0.869 175.522 176.300 0.153 0.000 0.987 420 R CA -1.253 54.919 56.100 0.120 0.000 0.908 420 R CB 1.928 32.280 30.300 0.086 0.000 1.213 420 R HN 0.181 nan 8.270 nan 0.000 0.468 421 V N 3.254 123.213 119.914 0.076 0.000 2.479 421 V HA -0.010 4.110 4.120 0.001 0.000 0.281 421 V C 0.402 176.474 176.094 -0.037 0.000 1.031 421 V CA 0.678 62.925 62.300 -0.089 0.000 1.038 421 V CB 0.340 32.078 31.823 -0.142 0.000 0.981 421 V HN 0.683 nan 8.190 nan 0.000 0.478 422 F N 4.717 124.535 119.950 -0.220 0.000 2.437 422 F HA 0.414 4.941 4.527 0.001 0.000 0.288 422 F C 1.059 176.685 175.800 -0.290 0.000 1.085 422 F CA 0.161 58.033 58.000 -0.213 0.000 1.430 422 F CB 0.442 39.371 39.000 -0.118 0.000 1.120 422 F HN 0.453 nan 8.300 nan 0.000 0.556 423 R N 0.945 121.306 120.500 -0.230 0.000 2.566 423 R HA 0.377 4.718 4.340 0.001 0.000 0.271 423 R C -1.939 174.212 176.300 -0.247 0.000 1.071 423 R CA -0.484 55.400 56.100 -0.360 0.000 0.915 423 R CB 1.331 31.376 30.300 -0.425 0.000 1.228 423 R HN 0.196 nan 8.270 nan 0.000 0.449 424 E N 3.126 123.190 120.200 -0.226 0.000 2.321 424 E HA 0.525 4.876 4.350 0.001 0.000 0.281 424 E C -1.673 174.868 176.600 -0.098 0.000 0.910 424 E CA -0.901 55.410 56.400 -0.149 0.000 0.770 424 E CB 1.926 31.532 29.700 -0.158 0.000 1.225 424 E HN 0.446 nan 8.360 nan 0.000 0.417 425 V N 0.757 120.641 119.914 -0.049 0.000 2.638 425 V HA 0.793 4.913 4.120 0.001 0.000 0.306 425 V C -0.413 175.624 176.094 -0.095 0.000 1.052 425 V CA -0.449 61.843 62.300 -0.013 0.000 0.885 425 V CB 1.315 33.216 31.823 0.130 0.000 0.999 425 V HN 0.708 nan 8.190 nan 0.000 0.424 426 T N 0.890 115.386 114.554 -0.097 0.000 2.888 426 T HA 0.753 5.103 4.350 0.001 0.000 0.284 426 T C -0.383 174.225 174.700 -0.154 0.000 1.017 426 T CA -0.789 61.223 62.100 -0.146 0.000 1.022 426 T CB 1.716 70.533 68.868 -0.086 0.000 1.013 426 T HN 0.832 nan 8.240 nan 0.000 0.465 427 V N 3.237 123.030 119.914 -0.202 0.000 2.368 427 V HA 0.268 4.388 4.120 0.001 0.000 0.266 427 V C 0.535 176.617 176.094 -0.021 0.000 1.045 427 V CA -0.769 61.445 62.300 -0.142 0.000 0.899 427 V CB 0.382 32.102 31.823 -0.170 0.000 1.006 427 V HN 0.808 nan 8.190 nan 0.000 0.470 428 K N 3.795 124.201 120.400 0.010 0.000 2.383 428 K HA 0.482 4.802 4.320 0.001 0.000 0.286 428 K C 1.142 177.775 176.600 0.054 0.000 1.051 428 K CA 0.686 56.992 56.287 0.030 0.000 0.974 428 K CB 0.767 33.287 32.500 0.032 0.000 0.968 428 K HN 1.014 nan 8.250 nan 0.000 0.475 429 G N 2.742 111.577 108.800 0.059 0.000 2.380 429 G HA2 -0.149 3.811 3.960 0.001 0.000 0.197 429 G HA3 -0.149 3.811 3.960 0.001 0.000 0.197 429 G C -0.079 174.876 174.900 0.093 0.000 1.001 429 G CA -0.687 44.461 45.100 0.081 0.000 0.668 429 G HN 0.477 nan 8.290 nan 0.000 0.483 430 I N 2.759 123.388 120.570 0.098 0.000 2.503 430 I HA 0.305 4.476 4.170 0.001 0.000 0.277 430 I C -0.713 175.506 176.117 0.170 0.000 1.078 430 I CA -1.042 60.345 61.300 0.145 0.000 1.184 430 I CB 0.723 38.798 38.000 0.126 0.000 1.353 430 I HN 0.132 nan 8.210 nan 0.000 0.490 431 D N 4.569 125.063 120.400 0.158 0.000 2.348 431 D HA 0.249 4.889 4.640 0.001 0.000 0.259 431 D C 1.380 177.771 176.300 0.150 0.000 1.296 431 D CA 0.118 54.172 54.000 0.090 0.000 0.931 431 D CB 1.285 42.084 40.800 -0.002 0.000 1.067 431 D HN 0.581 nan 8.370 nan 0.000 0.503 432 A N 3.178 126.104 122.820 0.177 0.000 1.997 432 A HA -0.234 4.087 4.320 0.001 0.000 0.221 432 A C 2.150 179.810 177.584 0.126 0.000 1.172 432 A CA 2.014 54.191 52.037 0.233 0.000 0.645 432 A CB -0.648 18.444 19.000 0.153 0.000 0.813 432 A HN 0.624 nan 8.150 nan 0.000 0.454 433 S N -0.551 115.160 115.700 0.018 0.000 2.507 433 S HA -0.092 4.378 4.470 0.001 0.000 0.235 433 S C 0.829 175.333 174.600 -0.160 0.000 0.988 433 S CA 1.134 59.308 58.200 -0.044 0.000 0.944 433 S CB -0.286 62.891 63.200 -0.039 0.000 0.762 433 S HN 0.522 nan 8.310 nan 0.000 0.526 434 D N 0.094 120.278 120.400 -0.360 0.000 2.349 434 D HA 0.210 4.850 4.640 0.001 0.000 0.215 434 D C -0.393 175.387 176.300 -0.867 0.000 1.016 434 D CA 0.446 54.050 54.000 -0.659 0.000 0.870 434 D CB 0.110 40.354 40.800 -0.927 0.000 0.917 434 D HN 0.513 nan 8.370 nan 0.000 0.524 435 Y N 0.192 120.466 120.300 -0.043 0.000 2.633 435 Y HA 0.442 4.992 4.550 0.001 0.000 0.339 435 Y C 0.253 176.100 175.900 -0.090 0.000 1.045 435 Y CA -1.306 56.748 58.100 -0.077 0.000 1.098 435 Y CB 1.184 39.608 38.460 -0.060 0.000 1.296 435 Y HN -0.293 nan 8.280 nan 0.000 0.494 436 Q N -0.841 118.949 119.800 -0.016 0.000 2.416 436 Q HA 0.759 5.099 4.340 0.001 0.000 0.281 436 Q C -1.770 174.173 176.000 -0.094 0.000 1.067 436 Q CA -1.088 54.680 55.803 -0.059 0.000 0.809 436 Q CB 2.368 31.042 28.738 -0.106 0.000 1.418 436 Q HN 0.569 nan 8.270 nan 0.000 0.411 437 T N 1.665 116.228 114.554 0.016 0.000 2.792 437 T HA 0.575 4.925 4.350 0.001 0.000 0.280 437 T C -0.508 174.268 174.700 0.128 0.000 0.990 437 T CA -0.557 61.575 62.100 0.054 0.000 0.960 437 T CB 1.253 70.210 68.868 0.148 0.000 0.939 437 T HN 0.580 nan 8.240 nan 0.000 0.439 438 V N 1.876 121.880 119.914 0.149 0.000 2.864 438 V HA 0.750 4.871 4.120 0.001 0.000 0.314 438 V C -0.787 175.433 176.094 0.209 0.000 1.073 438 V CA -1.091 61.323 62.300 0.190 0.000 0.956 438 V CB 2.018 33.964 31.823 0.204 0.000 1.023 438 V HN 0.848 nan 8.190 nan 0.000 0.435 439 Q N 2.405 122.295 119.800 0.150 0.000 2.325 439 Q HA 0.725 5.065 4.340 0.001 0.000 0.270 439 Q C -1.229 174.678 176.000 -0.156 0.000 1.020 439 Q CA -0.734 55.038 55.803 -0.050 0.000 0.785 439 Q CB 1.915 30.607 28.738 -0.077 0.000 1.259 439 Q HN 0.966 nan 8.270 nan 0.000 0.452 440 I N -0.527 119.852 120.570 -0.317 0.000 3.067 440 I HA 0.701 4.871 4.170 0.001 0.000 0.312 440 I C -1.449 174.331 176.117 -0.562 0.000 1.073 440 I CA -0.862 60.300 61.300 -0.229 0.000 1.016 440 I CB 1.581 39.538 38.000 -0.071 0.000 1.227 440 I HN 0.409 nan 8.210 nan 0.000 0.456 441 F N 2.642 122.556 119.950 -0.060 0.000 2.507 441 F HA 0.585 5.112 4.527 0.001 0.000 0.328 441 F C -0.823 174.935 175.800 -0.070 0.000 1.136 441 F CA -0.500 57.437 58.000 -0.105 0.000 0.930 441 F CB 1.637 40.583 39.000 -0.091 0.000 1.166 441 F HN 0.529 nan 8.300 nan 0.000 0.436 442 Y N 2.389 122.675 120.300 -0.023 0.000 2.446 442 Y HA 0.825 5.376 4.550 0.001 0.000 0.338 442 Y C -3.132 172.819 175.900 0.084 0.000 1.055 442 Y CA -3.801 54.298 58.100 -0.002 0.000 1.101 442 Y CB 1.202 39.557 38.460 -0.175 0.000 1.221 442 Y HN 0.256 nan 8.280 nan 0.000 0.460 443 P HA 0.120 nan 4.420 nan 0.000 0.285 443 P C -0.342 177.063 177.300 0.175 0.000 1.259 443 P CA -0.128 63.032 63.100 0.100 0.000 0.794 443 P CB 2.073 33.841 31.700 0.113 0.000 0.940 444 S N 1.840 117.584 115.700 0.074 0.000 2.646 444 S HA 0.122 4.593 4.470 0.001 0.000 0.273 444 S C 1.556 176.207 174.600 0.086 0.000 1.168 444 S CA -0.482 57.791 58.200 0.122 0.000 1.013 444 S CB 0.285 63.509 63.200 0.040 0.000 1.098 444 S HN 0.486 nan 8.310 nan 0.000 0.544 445 K N 0.276 120.718 120.400 0.069 0.000 2.063 445 K HA -0.174 4.147 4.320 0.001 0.000 0.208 445 K C 0.909 177.522 176.600 0.022 0.000 1.048 445 K CA 2.169 58.483 56.287 0.045 0.000 0.928 445 K CB -0.457 32.064 32.500 0.036 0.000 0.713 445 K HN 0.739 nan 8.250 nan 0.000 0.442 446 D N -1.759 118.642 120.400 0.001 0.000 2.328 446 D HA 0.062 4.702 4.640 0.001 0.000 0.226 446 D C 1.005 177.300 176.300 -0.008 0.000 1.066 446 D CA 0.742 54.735 54.000 -0.012 0.000 0.861 446 D CB 0.383 41.161 40.800 -0.037 0.000 0.912 446 D HN 0.437 nan 8.370 nan 0.000 0.521 447 G N -0.535 108.269 108.800 0.007 0.000 2.195 447 G HA2 -0.271 3.689 3.960 0.001 0.000 0.246 447 G HA3 -0.271 3.689 3.960 0.001 0.000 0.246 447 G C 0.464 175.362 174.900 -0.002 0.000 0.984 447 G CA 0.224 45.330 45.100 0.010 0.000 0.633 447 G HN 0.450 nan 8.290 nan 0.000 0.525 448 T N 3.226 117.770 114.554 -0.017 0.000 2.902 448 T HA 0.398 4.749 4.350 0.001 0.000 0.301 448 T C 0.458 175.148 174.700 -0.017 0.000 1.012 448 T CA 0.199 62.290 62.100 -0.014 0.000 1.151 448 T CB 1.012 69.857 68.868 -0.039 0.000 0.946 448 T HN 0.163 nan 8.240 nan 0.000 0.542 449 K N 3.702 124.101 120.400 -0.002 0.000 2.297 449 K HA 0.299 4.620 4.320 0.001 0.000 0.286 449 K C -0.170 176.455 176.600 0.042 0.000 1.053 449 K CA -0.409 55.866 56.287 -0.020 0.000 0.940 449 K CB 0.694 33.180 32.500 -0.023 0.000 1.019 449 K HN 0.419 nan 8.250 nan 0.000 0.475 450 I N 5.377 125.818 120.570 -0.215 0.000 2.404 450 I HA 0.323 4.493 4.170 0.001 0.000 0.293 450 I C -2.309 173.659 176.117 -0.248 0.000 0.992 450 I CA -3.265 57.919 61.300 -0.193 0.000 1.149 450 I CB 1.236 38.837 38.000 -0.666 0.000 1.315 450 I HN 0.164 nan 8.210 nan 0.000 0.446 451 P HA 0.447 nan 4.420 nan 0.000 0.278 451 P C -0.741 176.381 177.300 -0.298 0.000 1.238 451 P CA -0.536 62.299 63.100 -0.442 0.000 0.794 451 P CB 0.955 32.436 31.700 -0.365 0.000 0.955 452 M N 2.679 122.019 119.600 -0.432 0.000 2.284 452 M HA 0.454 4.934 4.480 0.001 0.000 0.281 452 M C -1.878 174.256 176.300 -0.278 0.000 1.083 452 M CA -0.556 54.619 55.300 -0.207 0.000 0.965 452 M CB 1.066 33.651 32.600 -0.024 0.000 1.717 452 M HN -0.002 nan 8.290 nan 0.000 0.479 453 F N 5.269 125.207 119.950 -0.020 0.000 2.394 453 F HA 0.624 5.152 4.527 0.001 0.000 0.340 453 F C -0.165 175.553 175.800 -0.137 0.000 1.105 453 F CA -0.303 57.669 58.000 -0.047 0.000 1.124 453 F CB 1.079 40.107 39.000 0.046 0.000 1.145 453 F HN 0.372 nan 8.300 nan 0.000 0.505 454 I N 3.664 124.268 120.570 0.058 0.000 2.499 454 I HA 0.425 4.595 4.170 0.001 0.000 0.288 454 I C -1.240 174.869 176.117 -0.013 0.000 1.048 454 I CA -0.880 60.403 61.300 -0.029 0.000 1.062 454 I CB 1.938 39.872 38.000 -0.110 0.000 1.238 454 I HN 0.126 nan 8.210 nan 0.000 0.426 455 V N 5.743 125.613 119.914 -0.073 0.000 2.495 455 V HA 0.595 4.715 4.120 0.001 0.000 0.298 455 V C -0.707 175.427 176.094 0.067 0.000 1.031 455 V CA -0.441 61.797 62.300 -0.103 0.000 0.871 455 V CB 1.483 33.144 31.823 -0.269 0.000 0.988 455 V HN 0.976 nan 8.190 nan 0.000 0.432 456 H N 1.496 120.603 119.070 0.061 0.000 2.967 456 H HA 0.556 5.112 4.556 0.001 0.000 0.318 456 H C -0.754 174.682 175.328 0.180 0.000 1.375 456 H CA -1.164 54.936 56.048 0.087 0.000 1.132 456 H CB 1.195 31.006 29.762 0.081 0.000 1.848 456 H HN 0.475 nan 8.280 nan 0.000 0.524 457 K N 1.563 122.162 120.400 0.332 0.000 2.401 457 K HA 0.106 4.426 4.320 0.001 0.000 0.278 457 K C -0.516 176.186 176.600 0.169 0.000 1.018 457 K CA -0.417 56.007 56.287 0.229 0.000 0.981 457 K CB 0.475 33.051 32.500 0.125 0.000 0.933 457 K HN 0.595 nan 8.250 nan 0.000 0.477 458 K N 1.661 122.059 120.400 -0.002 0.000 2.436 458 K HA 0.021 4.341 4.320 0.001 0.000 0.275 458 K C 0.804 177.434 176.600 0.049 0.000 0.999 458 K CA 0.894 57.195 56.287 0.023 0.000 0.980 458 K CB 0.461 32.931 32.500 -0.049 0.000 0.919 458 K HN 0.949 nan 8.250 nan 0.000 0.484 459 G N 2.060 110.910 108.800 0.084 0.000 2.184 459 G HA2 -0.278 3.683 3.960 0.001 0.000 0.264 459 G HA3 -0.278 3.683 3.960 0.001 0.000 0.264 459 G C 0.318 175.234 174.900 0.028 0.000 0.975 459 G CA 0.434 45.560 45.100 0.044 0.000 0.642 459 G HN 0.737 nan 8.290 nan 0.000 0.536 460 I N -1.505 119.078 120.570 0.023 0.000 2.813 460 I HA 0.501 4.671 4.170 0.001 0.000 0.287 460 I C 0.477 176.578 176.117 -0.026 0.000 1.196 460 I CA -0.333 60.942 61.300 -0.042 0.000 1.421 460 I CB 0.464 38.307 38.000 -0.261 0.000 1.365 460 I HN -0.027 nan 8.210 nan 0.000 0.591 461 K N 5.681 126.119 120.400 0.063 0.000 2.234 461 K HA 0.402 4.723 4.320 0.001 0.000 0.282 461 K C -0.509 176.126 176.600 0.058 0.000 1.039 461 K CA -0.509 55.798 56.287 0.034 0.000 0.928 461 K CB 1.403 33.919 32.500 0.026 0.000 1.039 461 K HN 0.591 nan 8.250 nan 0.000 0.470 462 L N 4.495 125.667 121.223 -0.085 0.000 2.533 462 L HA 0.029 4.369 4.340 0.001 0.000 0.239 462 L C 0.274 177.071 176.870 -0.121 0.000 1.376 462 L CA -0.060 54.675 54.840 -0.175 0.000 1.240 462 L CB -0.671 41.182 42.059 -0.343 0.000 1.487 462 L HN 0.695 nan 8.230 nan 0.000 0.419 463 D N -0.919 119.427 120.400 -0.089 0.000 2.368 463 D HA 0.086 4.726 4.640 0.001 0.000 0.218 463 D C 1.367 177.587 176.300 -0.134 0.000 1.112 463 D CA 0.228 54.162 54.000 -0.111 0.000 0.834 463 D CB 0.572 41.307 40.800 -0.108 0.000 0.953 463 D HN 0.343 nan 8.370 nan 0.000 0.505 464 G N 0.731 109.457 108.800 -0.125 0.000 2.168 464 G HA2 -0.371 3.590 3.960 0.001 0.000 0.263 464 G HA3 -0.371 3.590 3.960 0.001 0.000 0.263 464 G C 1.083 175.895 174.900 -0.146 0.000 0.977 464 G CA 0.863 45.908 45.100 -0.091 0.000 0.659 464 G HN 0.710 nan 8.290 nan 0.000 0.533 465 S N -0.198 115.300 115.700 -0.338 0.000 2.593 465 S HA 0.194 4.664 4.470 0.001 0.000 0.217 465 S C 0.776 175.169 174.600 -0.344 0.000 0.966 465 S CA 0.103 58.097 58.200 -0.343 0.000 0.914 465 S CB -0.018 62.959 63.200 -0.372 0.000 0.776 465 S HN 0.618 nan 8.310 nan 0.000 0.523 466 H N 3.069 122.154 119.070 0.025 0.000 2.487 466 H HA 0.437 4.994 4.556 0.001 0.000 0.333 466 H C -2.744 172.641 175.328 0.095 0.000 1.114 466 H CA -2.240 53.833 56.048 0.041 0.000 1.310 466 H CB 0.610 30.397 29.762 0.042 0.000 1.462 466 H HN 0.251 nan 8.280 nan 0.000 0.516 467 P HA 0.287 nan 4.420 nan 0.000 0.275 467 P C -0.854 176.704 177.300 0.429 0.000 1.228 467 P CA -0.373 62.904 63.100 0.295 0.000 0.786 467 P CB 1.221 33.092 31.700 0.285 0.000 0.927 468 A N 2.649 125.766 122.820 0.496 0.000 2.454 468 A HA 0.711 5.031 4.320 0.001 0.000 0.302 468 A C -1.763 176.129 177.584 0.514 0.000 1.079 468 A CA -0.597 51.754 52.037 0.522 0.000 0.731 468 A CB 1.264 20.455 19.000 0.317 0.000 1.299 468 A HN 0.477 nan 8.150 nan 0.000 0.413 469 F N 2.177 122.291 119.950 0.275 0.000 2.513 469 F HA 0.571 5.098 4.527 0.001 0.000 0.358 469 F C -1.108 174.770 175.800 0.129 0.000 1.118 469 F CA -0.836 57.195 58.000 0.052 0.000 1.037 469 F CB 1.427 40.269 39.000 -0.264 0.000 1.276 469 F HN 0.480 nan 8.300 nan 0.000 0.446 470 L N 7.997 129.179 121.223 -0.067 0.000 2.272 470 L HA 0.455 4.795 4.340 0.001 0.000 0.289 470 L C -1.865 175.059 176.870 0.090 0.000 1.032 470 L CA -0.600 54.257 54.840 0.027 0.000 0.810 470 L CB 0.706 42.709 42.059 -0.093 0.000 1.205 470 L HN 0.592 nan 8.230 nan 0.000 0.422 471 Y N 4.306 124.699 120.300 0.154 0.000 2.387 471 Y HA 0.810 5.361 4.550 0.001 0.000 0.336 471 Y C 0.127 176.222 175.900 0.327 0.000 1.067 471 Y CA -0.067 58.149 58.100 0.193 0.000 1.114 471 Y CB 1.858 40.454 38.460 0.227 0.000 1.208 471 Y HN 0.747 nan 8.280 nan 0.000 0.458 472 G N 3.399 111.810 108.800 -0.648 0.000 2.692 472 G HA2 0.323 4.284 3.960 0.001 0.000 0.291 472 G HA3 0.323 4.284 3.960 0.001 0.000 0.291 472 G C -2.010 172.454 174.900 -0.726 0.000 1.423 472 G CA -0.434 44.334 45.100 -0.554 0.000 0.843 472 G HN 0.644 nan 8.290 nan 0.000 0.486 473 Y N 0.194 120.221 120.300 -0.456 0.000 3.274 473 Y HA 0.474 5.025 4.550 0.001 0.000 0.174 473 Y C 1.471 177.233 175.900 -0.230 0.000 0.880 473 Y CA 1.484 59.398 58.100 -0.309 0.000 1.793 473 Y CB 0.475 38.870 38.460 -0.109 0.000 1.409 473 Y HN 1.689 nan 8.280 nan 0.000 0.368 474 G N 1.120 109.878 108.800 -0.070 0.000 2.546 474 G HA2 0.360 4.321 3.960 0.001 0.000 0.285 474 G HA3 0.360 4.321 3.960 0.001 0.000 0.285 474 G C 0.007 174.739 174.900 -0.280 0.000 1.105 474 G CA 0.439 45.433 45.100 -0.177 0.000 1.189 474 G HN 1.411 nan 8.290 nan 0.000 0.534 475 G N -1.252 107.496 108.800 -0.086 0.000 2.316 475 G HA2 0.609 4.570 3.960 0.001 0.000 0.296 475 G HA3 0.609 4.570 3.960 0.001 0.000 0.296 475 G C 0.029 175.006 174.900 0.128 0.000 1.399 475 G CA 0.164 45.181 45.100 -0.139 0.000 0.833 475 G HN 1.468 nan 8.290 nan 0.000 0.565 476 F N -0.300 119.587 119.950 -0.106 0.000 3.100 476 F HA -0.253 4.275 4.527 0.001 0.000 0.284 476 F C 1.351 176.938 175.800 -0.355 0.000 0.875 476 F CA 1.475 59.350 58.000 -0.208 0.000 1.039 476 F CB -1.446 37.505 39.000 -0.082 0.000 1.111 476 F HN 1.179 nan 8.300 nan 0.000 0.575 477 N N -0.635 117.781 118.700 -0.474 0.000 2.753 477 N HA -0.212 4.528 4.740 0.001 0.000 0.251 477 N C -0.465 175.024 175.510 -0.036 0.000 1.097 477 N CA 1.023 53.895 53.050 -0.296 0.000 0.786 477 N CB -0.623 37.637 38.487 -0.378 0.000 1.137 477 N HN 0.350 nan 8.380 nan 0.000 0.566 478 I N 0.916 121.528 120.570 0.069 0.000 2.371 478 I HA 0.162 4.333 4.170 0.001 0.000 0.290 478 I C 0.547 176.714 176.117 0.084 0.000 1.028 478 I CA -0.056 61.273 61.300 0.049 0.000 1.345 478 I CB 0.993 38.974 38.000 -0.031 0.000 1.407 478 I HN 0.070 nan 8.210 nan 0.000 0.501 479 S N 6.883 122.607 115.700 0.040 0.000 2.499 479 S HA 0.476 4.947 4.470 0.001 0.000 0.279 479 S C 0.177 174.820 174.600 0.071 0.000 1.219 479 S CA -0.536 57.698 58.200 0.056 0.000 1.062 479 S CB 1.093 64.294 63.200 0.002 0.000 0.978 479 S HN 0.252 nan 8.310 nan 0.000 0.489 480 I N 4.800 125.454 120.570 0.141 0.000 2.276 480 I HA 0.181 4.351 4.170 0.001 0.000 0.290 480 I C 1.072 177.322 176.117 0.221 0.000 1.109 480 I CA -0.248 61.166 61.300 0.190 0.000 1.229 480 I CB -0.708 37.481 38.000 0.315 0.000 1.452 480 I HN 0.582 nan 8.210 nan 0.000 0.497 481 T N 4.013 118.632 114.554 0.109 0.000 2.927 481 T HA 0.582 4.932 4.350 0.001 0.000 0.281 481 T C -2.607 171.970 174.700 -0.204 0.000 0.998 481 T CA -2.173 59.957 62.100 0.049 0.000 1.019 481 T CB 1.339 70.208 68.868 0.001 0.000 1.061 481 T HN 0.154 nan 8.240 nan 0.000 0.518 482 P HA 0.244 nan 4.420 nan 0.000 0.264 482 P C -0.525 176.288 177.300 -0.812 0.000 1.183 482 P CA 0.081 62.391 63.100 -1.317 0.000 0.763 482 P CB 0.243 31.163 31.700 -1.301 0.000 0.807 483 N N 1.648 119.882 118.700 -0.776 0.000 2.484 483 N HA 0.191 4.931 4.740 0.001 0.000 0.269 483 N C -1.801 173.640 175.510 -0.115 0.000 1.237 483 N CA -0.587 52.276 53.050 -0.311 0.000 0.838 483 N CB 1.185 39.577 38.487 -0.159 0.000 1.593 483 N HN 0.183 nan 8.380 nan 0.000 0.485 484 Y N 1.272 121.504 120.300 -0.114 0.000 2.359 484 Y HA 0.367 4.918 4.550 0.001 0.000 0.334 484 Y C -0.085 175.849 175.900 0.057 0.000 1.058 484 Y CA 0.215 58.309 58.100 -0.009 0.000 1.244 484 Y CB 0.581 39.045 38.460 0.006 0.000 1.187 484 Y HN 0.317 nan 8.280 nan 0.000 0.510 485 S N 5.470 120.905 115.700 -0.442 0.000 2.779 485 S HA 0.341 4.812 4.470 0.001 0.000 0.293 485 S C 0.083 174.403 174.600 -0.468 0.000 1.150 485 S CA -0.741 57.273 58.200 -0.309 0.000 1.057 485 S CB 0.685 63.803 63.200 -0.137 0.000 1.021 485 S HN 0.598 nan 8.310 nan 0.000 0.485 486 V N 4.892 124.598 119.914 -0.347 0.000 2.427 486 V HA -0.123 3.997 4.120 0.001 0.000 0.248 486 V C 2.716 178.719 176.094 -0.151 0.000 1.051 486 V CA 2.387 64.558 62.300 -0.215 0.000 1.048 486 V CB -0.951 30.949 31.823 0.129 0.000 0.666 486 V HN 0.982 nan 8.190 nan 0.000 0.456 487 S N 0.789 116.429 115.700 -0.099 0.000 2.370 487 S HA -0.271 4.200 4.470 0.001 0.000 0.226 487 S C 2.061 176.546 174.600 -0.191 0.000 1.033 487 S CA 1.546 59.729 58.200 -0.029 0.000 1.011 487 S CB -0.503 62.770 63.200 0.123 0.000 0.852 487 S HN 0.588 nan 8.310 nan 0.000 0.457 488 R N 0.782 121.164 120.500 -0.197 0.000 2.115 488 R HA 0.234 4.575 4.340 0.001 0.000 0.226 488 R C 2.338 178.522 176.300 -0.193 0.000 1.100 488 R CA 1.158 57.115 56.100 -0.238 0.000 0.980 488 R CB -0.532 29.671 30.300 -0.161 0.000 0.875 488 R HN 0.411 nan 8.270 nan 0.000 0.445 489 L N 0.343 121.424 121.223 -0.236 0.000 2.201 489 L HA -0.113 4.227 4.340 0.001 0.000 0.212 489 L C 2.159 178.884 176.870 -0.242 0.000 1.105 489 L CA 0.964 55.633 54.840 -0.285 0.000 0.775 489 L CB -0.232 41.632 42.059 -0.326 0.000 0.913 489 L HN 0.192 nan 8.230 nan 0.000 0.440 490 I N -0.999 119.460 120.570 -0.185 0.000 2.315 490 I HA -0.298 3.872 4.170 0.001 0.000 0.248 490 I C 2.426 178.479 176.117 -0.106 0.000 1.117 490 I CA 1.116 62.349 61.300 -0.113 0.000 1.404 490 I CB -0.209 37.648 38.000 -0.238 0.000 1.071 490 I HN 0.170 nan 8.210 nan 0.000 0.419 491 F N 1.359 121.101 119.950 -0.347 0.000 2.134 491 F HA -0.194 4.334 4.527 0.001 0.000 0.299 491 F C 2.259 177.958 175.800 -0.169 0.000 1.097 491 F CA 1.571 59.388 58.000 -0.306 0.000 1.264 491 F CB -0.459 38.243 39.000 -0.497 0.000 1.001 491 F HN -0.229 nan 8.300 nan 0.000 0.479 492 V N 0.871 120.638 119.914 -0.245 0.000 2.237 492 V HA -0.285 3.836 4.120 0.001 0.000 0.245 492 V C 2.551 178.463 176.094 -0.303 0.000 1.046 492 V CA 2.352 64.469 62.300 -0.305 0.000 1.007 492 V CB -0.788 30.868 31.823 -0.277 0.000 0.638 492 V HN 0.294 nan 8.190 nan 0.000 0.445 493 R N -0.259 120.044 120.500 -0.328 0.000 2.062 493 R HA -0.098 4.242 4.340 0.001 0.000 0.229 493 R C 2.162 178.096 176.300 -0.611 0.000 1.128 493 R CA 1.805 57.671 56.100 -0.390 0.000 0.960 493 R CB -0.612 29.416 30.300 -0.452 0.000 0.855 493 R HN 0.636 nan 8.270 nan 0.000 0.432 494 H N -1.207 117.588 119.070 -0.458 0.000 2.553 494 H HA 0.241 4.798 4.556 0.001 0.000 0.265 494 H C 0.778 175.704 175.328 -0.670 0.000 0.964 494 H CA 0.782 56.340 56.048 -0.816 0.000 1.156 494 H CB 0.498 29.376 29.762 -1.473 0.000 1.411 494 H HN 0.259 nan 8.280 nan 0.000 0.558 495 M N -1.049 118.346 119.600 -0.342 0.000 2.340 495 M HA 0.221 4.702 4.480 0.001 0.000 0.345 495 M C 0.885 176.993 176.300 -0.320 0.000 1.008 495 M CA 0.053 55.215 55.300 -0.231 0.000 0.987 495 M CB 1.675 34.225 32.600 -0.083 0.000 1.598 495 M HN 0.207 nan 8.290 nan 0.000 0.569 496 G N 1.471 110.075 108.800 -0.326 0.000 2.283 496 G HA2 -0.209 3.752 3.960 0.001 0.000 0.280 496 G HA3 -0.209 3.752 3.960 0.001 0.000 0.280 496 G C 0.246 174.974 174.900 -0.287 0.000 1.029 496 G CA 0.141 45.103 45.100 -0.230 0.000 0.840 496 G HN 0.606 nan 8.290 nan 0.000 0.505 497 G N -1.861 106.562 108.800 -0.629 0.000 2.502 497 G HA2 0.669 4.629 3.960 0.001 0.000 0.305 497 G HA3 0.669 4.629 3.960 0.001 0.000 0.305 497 G C -0.346 174.476 174.900 -0.131 0.000 1.190 497 G CA -0.164 44.534 45.100 -0.670 0.000 0.933 497 G HN 0.882 nan 8.290 nan 0.000 0.503 498 V N 0.758 120.785 119.914 0.189 0.000 2.495 498 V HA 0.406 4.527 4.120 0.001 0.000 0.298 498 V C -0.329 175.989 176.094 0.374 0.000 1.031 498 V CA -0.676 61.770 62.300 0.244 0.000 0.871 498 V CB 1.356 33.318 31.823 0.232 0.000 0.988 498 V HN 0.658 nan 8.190 nan 0.000 0.432 499 L N 4.803 126.180 121.223 0.256 0.000 2.322 499 L HA 0.949 5.289 4.340 0.001 0.000 0.279 499 L C 0.000 176.941 176.870 0.118 0.000 1.036 499 L CA 0.112 55.096 54.840 0.240 0.000 0.807 499 L CB 1.415 43.534 42.059 0.101 0.000 1.226 499 L HN 0.808 nan 8.230 nan 0.000 0.433 500 A N 4.115 127.035 122.820 0.167 0.000 2.520 500 A HA 0.787 5.107 4.320 0.001 0.000 0.298 500 A C -1.793 175.920 177.584 0.216 0.000 1.051 500 A CA -0.534 51.565 52.037 0.103 0.000 0.690 500 A CB 1.822 20.846 19.000 0.039 0.000 1.281 500 A HN 0.515 nan 8.150 nan 0.000 0.402 501 V N 1.389 121.453 119.914 0.250 0.000 2.482 501 V HA 0.680 4.800 4.120 0.001 0.000 0.295 501 V C 0.242 176.542 176.094 0.342 0.000 1.026 501 V CA -0.240 62.306 62.300 0.408 0.000 0.856 501 V CB 1.497 33.647 31.823 0.546 0.000 1.001 501 V HN 1.422 nan 8.190 nan 0.000 0.424 502 A N 3.485 126.520 122.820 0.360 0.000 2.260 502 A HA 0.586 4.906 4.320 0.001 0.000 0.314 502 A C 0.130 177.912 177.584 0.330 0.000 1.257 502 A CA -0.529 51.708 52.037 0.334 0.000 0.871 502 A CB 0.020 19.257 19.000 0.394 0.000 1.166 502 A HN 0.887 nan 8.150 nan 0.000 0.522 503 N N 2.446 121.301 118.700 0.259 0.000 3.303 503 N HA 0.245 4.985 4.740 0.001 0.000 0.304 503 N C 0.347 176.118 175.510 0.435 0.000 1.302 503 N CA -0.193 53.028 53.050 0.283 0.000 1.213 503 N CB -0.105 38.463 38.487 0.135 0.000 1.481 503 N HN 0.796 nan 8.380 nan 0.000 0.546 504 I N -2.390 118.378 120.570 0.330 0.000 3.060 504 I HA 0.161 4.331 4.170 0.001 0.000 0.285 504 I C 0.585 176.718 176.117 0.026 0.000 1.190 504 I CA -0.753 60.664 61.300 0.196 0.000 1.363 504 I CB 0.752 38.818 38.000 0.110 0.000 1.396 504 I HN 0.107 nan 8.210 nan 0.000 0.607 505 R N 1.958 122.202 120.500 -0.427 0.000 2.827 505 R HA 0.279 4.619 4.340 0.001 0.000 0.269 505 R C 1.132 177.160 176.300 -0.453 0.000 1.048 505 R CA 1.088 56.659 56.100 -0.883 0.000 1.173 505 R CB 0.116 29.835 30.300 -0.969 0.000 1.070 505 R HN 1.085 nan 8.270 nan 0.000 0.498 506 G N -0.046 108.530 108.800 -0.372 0.000 2.279 506 G HA2 -0.226 3.734 3.960 0.001 0.000 0.223 506 G HA3 -0.226 3.734 3.960 0.001 0.000 0.223 506 G C 0.508 175.445 174.900 0.061 0.000 1.015 506 G CA -0.240 44.766 45.100 -0.156 0.000 0.621 506 G HN 0.893 nan 8.290 nan 0.000 0.506 507 G N -0.427 108.465 108.800 0.153 0.000 2.553 507 G HA2 0.557 4.518 3.960 0.001 0.000 0.278 507 G HA3 0.557 4.518 3.960 0.001 0.000 0.278 507 G C 1.050 176.173 174.900 0.371 0.000 1.349 507 G CA 0.259 45.537 45.100 0.296 0.000 1.037 507 G HN 1.323 nan 8.290 nan 0.000 0.508 508 G N -1.542 107.398 108.800 0.234 0.000 3.393 508 G HA2 0.266 4.226 3.960 0.001 0.000 0.255 508 G HA3 0.266 4.226 3.960 0.001 0.000 0.255 508 G C 0.971 175.885 174.900 0.023 0.000 1.097 508 G CA 0.166 45.361 45.100 0.160 0.000 0.780 508 G HN 0.520 nan 8.290 nan 0.000 0.540 509 E N 0.173 120.309 120.200 -0.105 0.000 2.130 509 E HA -0.138 4.212 4.350 0.001 0.000 0.196 509 E C 0.205 176.240 176.600 -0.941 0.000 0.998 509 E CA 1.132 57.194 56.400 -0.564 0.000 0.806 509 E CB -0.168 29.096 29.700 -0.725 0.000 0.738 509 E HN 0.585 nan 8.360 nan 0.000 0.459 510 Y N -0.395 119.638 120.300 -0.444 0.000 2.669 510 Y HA 0.441 4.991 4.550 0.001 0.000 0.302 510 Y C 0.821 176.762 175.900 0.070 0.000 1.000 510 Y CA -0.118 57.827 58.100 -0.258 0.000 1.222 510 Y CB 0.700 38.853 38.460 -0.510 0.000 1.209 510 Y HN 0.113 nan 8.280 nan 0.000 0.571 511 G N 0.623 109.543 108.800 0.199 0.000 2.698 511 G HA2 -0.377 3.583 3.960 0.001 0.000 0.233 511 G HA3 -0.377 3.583 3.960 0.001 0.000 0.233 511 G C 0.739 175.832 174.900 0.322 0.000 1.352 511 G CA 0.301 45.574 45.100 0.288 0.000 0.879 511 G HN 0.343 nan 8.290 nan 0.000 0.567 512 E N -0.438 119.916 120.200 0.258 0.000 2.204 512 E HA -0.085 4.266 4.350 0.001 0.000 0.195 512 E C 2.778 179.484 176.600 0.177 0.000 0.990 512 E CA 2.788 59.319 56.400 0.219 0.000 0.821 512 E CB -0.499 29.254 29.700 0.089 0.000 0.750 512 E HN 0.974 nan 8.360 nan 0.000 0.477 513 T N -2.448 112.213 114.554 0.178 0.000 2.867 513 T HA -0.169 4.182 4.350 0.001 0.000 0.268 513 T C 1.833 176.660 174.700 0.213 0.000 1.057 513 T CA 0.977 63.164 62.100 0.146 0.000 1.136 513 T CB -0.833 68.121 68.868 0.144 0.000 0.874 513 T HN 0.415 nan 8.240 nan 0.000 0.466 514 W N 1.657 123.012 121.300 0.092 0.000 2.381 514 W HA -0.139 4.522 4.660 0.001 0.000 0.301 514 W C 2.359 178.922 176.519 0.074 0.000 1.205 514 W CA 1.351 58.755 57.345 0.099 0.000 1.285 514 W CB -0.450 29.113 29.460 0.171 0.000 1.133 514 W HN 0.515 nan 8.180 nan 0.000 0.521 515 H N 0.690 119.853 119.070 0.154 0.000 2.290 515 H HA -0.179 4.377 4.556 0.001 0.000 0.298 515 H C 2.136 177.379 175.328 -0.141 0.000 1.087 515 H CA 1.911 57.952 56.048 -0.012 0.000 1.291 515 H CB -0.147 29.631 29.762 0.027 0.000 1.369 515 H HN 0.032 nan 8.280 nan 0.000 0.492 516 K N -0.090 120.149 120.400 -0.269 0.000 2.280 516 K HA -0.074 4.247 4.320 0.001 0.000 0.202 516 K C 2.151 178.560 176.600 -0.318 0.000 1.047 516 K CA 0.742 56.808 56.287 -0.368 0.000 0.942 516 K CB -0.076 32.281 32.500 -0.238 0.000 0.739 516 K HN 0.393 nan 8.250 nan 0.000 0.457 517 G N 0.410 109.040 108.800 -0.283 0.000 2.776 517 G HA2 -0.083 3.877 3.960 0.001 0.000 0.209 517 G HA3 -0.083 3.877 3.960 0.001 0.000 0.209 517 G C 0.800 175.451 174.900 -0.415 0.000 1.145 517 G CA 0.554 45.449 45.100 -0.341 0.000 0.791 517 G HN 0.366 nan 8.290 nan 0.000 0.530 518 G N 0.222 108.771 108.800 -0.417 0.000 4.379 518 G HA2 0.507 4.467 3.960 0.001 0.000 0.290 518 G HA3 0.507 4.467 3.960 0.001 0.000 0.290 518 G C -0.038 174.596 174.900 -0.445 0.000 1.065 518 G CA -0.271 44.560 45.100 -0.447 0.000 0.833 518 G HN 0.492 nan 8.290 nan 0.000 0.512 519 I N -3.555 116.746 120.570 -0.449 0.000 3.174 519 I HA 0.713 4.883 4.170 0.001 0.000 0.313 519 I C 0.792 176.626 176.117 -0.472 0.000 1.155 519 I CA -1.292 59.745 61.300 -0.440 0.000 0.977 519 I CB 1.457 39.167 38.000 -0.484 0.000 1.248 519 I HN 0.077 nan 8.210 nan 0.000 0.453 520 L N 0.703 121.671 121.223 -0.426 0.000 6.223 520 L HA -0.394 3.946 4.340 0.001 0.000 0.053 520 L C 1.955 178.015 176.870 -1.350 0.000 2.244 520 L CA 1.368 55.780 54.840 -0.714 0.000 1.647 520 L CB -1.778 39.922 42.059 -0.598 0.000 2.769 520 L HN 0.972 nan 8.230 nan 0.000 1.016 521 A N -0.346 121.297 122.820 -1.961 0.000 2.070 521 A HA -0.106 4.214 4.320 0.001 0.000 0.220 521 A C 1.402 178.491 177.584 -0.825 0.000 1.159 521 A CA 2.107 53.050 52.037 -1.822 0.000 0.656 521 A CB -0.623 17.776 19.000 -1.002 0.000 0.800 521 A HN 0.658 nan 8.150 nan 0.000 0.453 522 N N -0.871 117.453 118.700 -0.628 0.000 2.251 522 N HA 0.021 4.761 4.740 0.001 0.000 0.217 522 N C 1.076 176.313 175.510 -0.456 0.000 1.124 522 N CA 0.222 53.009 53.050 -0.439 0.000 0.843 522 N CB 0.575 38.840 38.487 -0.369 0.000 1.024 522 N HN 0.382 nan 8.380 nan 0.000 0.501 523 K N 1.629 121.729 120.400 -0.499 0.000 2.211 523 K HA -0.166 4.154 4.320 0.001 0.000 0.204 523 K C 1.895 178.026 176.600 -0.783 0.000 1.047 523 K CA 1.174 57.087 56.287 -0.624 0.000 0.935 523 K CB 0.011 32.153 32.500 -0.597 0.000 0.728 523 K HN -0.030 nan 8.250 nan 0.000 0.452 524 Q N 0.594 120.121 119.800 -0.455 0.000 2.291 524 Q HA -0.086 4.254 4.340 0.001 0.000 0.206 524 Q C 1.212 177.043 176.000 -0.281 0.000 0.976 524 Q CA 1.521 57.186 55.803 -0.229 0.000 0.875 524 Q CB -0.319 28.414 28.738 -0.009 0.000 0.927 524 Q HN 0.365 nan 8.270 nan 0.000 0.450 525 N N -0.807 117.685 118.700 -0.346 0.000 2.223 525 N HA -0.142 4.598 4.740 0.001 0.000 0.185 525 N C 1.500 176.812 175.510 -0.330 0.000 1.016 525 N CA 1.416 54.291 53.050 -0.292 0.000 0.863 525 N CB -0.630 37.660 38.487 -0.328 0.000 0.983 525 N HN 0.360 nan 8.380 nan 0.000 0.429 526 C N 0.298 119.270 119.300 -0.546 0.000 2.436 526 C HA -0.064 4.397 4.460 0.001 0.000 0.277 526 C C 2.428 177.225 174.990 -0.322 0.000 1.241 526 C CA 0.178 58.875 59.018 -0.534 0.000 1.721 526 C CB -1.525 25.716 27.740 -0.832 0.000 2.043 526 C HN 0.287 nan 8.230 nan 0.000 0.472 527 F N 1.691 121.559 119.950 -0.136 0.000 2.134 527 F HA -0.097 4.431 4.527 0.001 0.000 0.299 527 F C 2.182 178.014 175.800 0.054 0.000 1.097 527 F CA 1.316 59.291 58.000 -0.041 0.000 1.264 527 F CB -1.305 37.640 39.000 -0.092 0.000 1.001 527 F HN 0.227 nan 8.300 nan 0.000 0.479 528 D N 0.327 120.815 120.400 0.148 0.000 2.097 528 D HA -0.147 4.494 4.640 0.001 0.000 0.195 528 D C 1.847 178.235 176.300 0.147 0.000 0.989 528 D CA 1.454 55.526 54.000 0.120 0.000 0.827 528 D CB -0.519 40.309 40.800 0.047 0.000 0.966 528 D HN 0.177 nan 8.370 nan 0.000 0.456 529 D N -0.131 120.338 120.400 0.115 0.000 2.104 529 D HA -0.162 4.478 4.640 0.001 0.000 0.194 529 D C 1.840 178.349 176.300 0.349 0.000 0.994 529 D CA 0.550 54.675 54.000 0.209 0.000 0.830 529 D CB -0.491 40.366 40.800 0.096 0.000 0.959 529 D HN 0.142 nan 8.370 nan 0.000 0.452 530 F N 1.367 121.388 119.950 0.118 0.000 2.146 530 F HA -0.131 4.396 4.527 0.001 0.000 0.298 530 F C 2.427 178.308 175.800 0.135 0.000 1.096 530 F CA 1.319 59.386 58.000 0.113 0.000 1.275 530 F CB -0.308 38.732 39.000 0.066 0.000 1.008 530 F HN -0.059 nan 8.300 nan 0.000 0.480 531 Q N -1.209 118.726 119.800 0.227 0.000 2.124 531 Q HA -0.231 4.109 4.340 0.001 0.000 0.202 531 Q C 2.410 178.412 176.000 0.005 0.000 0.977 531 Q CA 1.919 57.805 55.803 0.138 0.000 0.850 531 Q CB -0.591 28.247 28.738 0.167 0.000 0.901 531 Q HN 0.418 nan 8.270 nan 0.000 0.429 532 C N 0.016 119.350 119.300 0.056 0.000 2.432 532 C HA -0.038 4.422 4.460 0.001 0.000 0.280 532 C C 2.767 177.584 174.990 -0.288 0.000 1.353 532 C CA 0.532 59.567 59.018 0.029 0.000 1.766 532 C CB -1.114 26.778 27.740 0.253 0.000 1.924 532 C HN 0.605 nan 8.230 nan 0.000 0.509 533 A N 0.654 123.195 122.820 -0.465 0.000 1.898 533 A HA 0.105 4.425 4.320 0.001 0.000 0.216 533 A C 2.372 179.707 177.584 -0.415 0.000 1.181 533 A CA 1.908 53.448 52.037 -0.828 0.000 0.620 533 A CB -0.831 17.863 19.000 -0.510 0.000 0.819 533 A HN 0.534 nan 8.150 nan 0.000 0.442 534 A N -0.105 122.532 122.820 -0.304 0.000 1.877 534 A HA -0.184 4.136 4.320 0.001 0.000 0.216 534 A C 1.918 179.424 177.584 -0.129 0.000 1.186 534 A CA 1.639 53.569 52.037 -0.179 0.000 0.620 534 A CB -0.599 18.333 19.000 -0.113 0.000 0.822 534 A HN 0.615 nan 8.150 nan 0.000 0.443 535 E N -1.705 118.418 120.200 -0.128 0.000 2.118 535 E HA -0.235 4.115 4.350 0.001 0.000 0.195 535 E C 1.838 178.413 176.600 -0.042 0.000 0.992 535 E CA 1.531 57.882 56.400 -0.083 0.000 0.804 535 E CB -0.307 29.360 29.700 -0.054 0.000 0.741 535 E HN 0.809 nan 8.360 nan 0.000 0.458 536 Y N 1.390 121.582 120.300 -0.180 0.000 2.114 536 Y HA -0.195 4.356 4.550 0.001 0.000 0.284 536 Y C 2.005 177.885 175.900 -0.034 0.000 1.143 536 Y CA 1.401 59.426 58.100 -0.123 0.000 1.135 536 Y CB -0.245 38.058 38.460 -0.262 0.000 0.980 536 Y HN -0.072 nan 8.280 nan 0.000 0.499 537 L N -0.334 120.972 121.223 0.137 0.000 2.079 537 L HA -0.253 4.087 4.340 0.001 0.000 0.210 537 L C 2.350 179.286 176.870 0.110 0.000 1.081 537 L CA 1.522 56.458 54.840 0.161 0.000 0.752 537 L CB -0.560 41.552 42.059 0.087 0.000 0.896 537 L HN 0.322 nan 8.230 nan 0.000 0.433 538 I N -0.339 120.238 120.570 0.012 0.000 2.193 538 I HA -0.270 3.900 4.170 0.001 0.000 0.240 538 I C 2.693 178.778 176.117 -0.054 0.000 1.084 538 I CA 1.217 62.507 61.300 -0.016 0.000 1.365 538 I CB -0.271 37.699 38.000 -0.050 0.000 1.064 538 I HN 0.181 nan 8.210 nan 0.000 0.410 539 K N 0.845 121.188 120.400 -0.095 0.000 2.097 539 K HA -0.180 4.140 4.320 0.001 0.000 0.206 539 K C 1.675 178.180 176.600 -0.159 0.000 1.049 539 K CA 1.322 57.537 56.287 -0.119 0.000 0.933 539 K CB 0.114 32.541 32.500 -0.122 0.000 0.717 539 K HN 0.173 nan 8.250 nan 0.000 0.442 540 E N -0.558 119.505 120.200 -0.227 0.000 2.502 540 E HA -0.001 4.350 4.350 0.001 0.000 0.194 540 E C 0.919 177.393 176.600 -0.209 0.000 1.062 540 E CA 0.818 57.076 56.400 -0.237 0.000 0.867 540 E CB 0.489 29.983 29.700 -0.343 0.000 0.888 540 E HN 0.607 nan 8.360 nan 0.000 0.510 541 G N 0.783 109.506 108.800 -0.129 0.000 2.136 541 G HA2 -0.337 3.624 3.960 0.001 0.000 0.242 541 G HA3 -0.337 3.624 3.960 0.001 0.000 0.242 541 G C 0.657 175.482 174.900 -0.124 0.000 0.989 541 G CA 0.430 45.447 45.100 -0.137 0.000 0.682 541 G HN 0.329 nan 8.290 nan 0.000 0.522 542 Y N -0.042 120.262 120.300 0.007 0.000 2.337 542 Y HA 0.370 4.921 4.550 0.001 0.000 0.293 542 Y C 2.039 178.023 175.900 0.140 0.000 1.123 542 Y CA 1.921 60.066 58.100 0.075 0.000 1.201 542 Y CB 0.401 38.892 38.460 0.050 0.000 1.011 542 Y HN 0.414 nan 8.280 nan 0.000 0.545 543 T N -2.332 112.352 114.554 0.217 0.000 2.648 543 T HA 0.583 4.933 4.350 0.001 0.000 0.304 543 T C -1.313 173.426 174.700 0.065 0.000 1.312 543 T CA -0.671 61.520 62.100 0.150 0.000 1.023 543 T CB 1.087 70.070 68.868 0.191 0.000 1.612 543 T HN -0.144 nan 8.240 nan 0.000 0.487 544 S N 0.878 116.608 115.700 0.050 0.000 2.595 544 S HA 0.521 4.992 4.470 0.001 0.000 0.281 544 S C -2.149 172.461 174.600 0.017 0.000 1.117 544 S CA -0.981 57.226 58.200 0.012 0.000 0.873 544 S CB 1.979 65.177 63.200 -0.003 0.000 1.108 544 S HN 0.536 nan 8.310 nan 0.000 0.477 545 P HA -0.219 nan 4.420 nan 0.000 0.216 545 P C 1.196 178.507 177.300 0.018 0.000 1.157 545 P CA 1.531 64.608 63.100 -0.039 0.000 0.880 545 P CB 0.005 31.655 31.700 -0.084 0.000 0.791 546 K N -0.324 120.091 120.400 0.024 0.000 2.442 546 K HA -0.047 4.273 4.320 0.001 0.000 0.198 546 K C 1.541 178.189 176.600 0.080 0.000 1.042 546 K CA 1.069 57.386 56.287 0.049 0.000 0.958 546 K CB -0.228 32.292 32.500 0.034 0.000 0.766 546 K HN 0.103 nan 8.250 nan 0.000 0.474 547 R N 0.487 121.041 120.500 0.091 0.000 2.397 547 R HA 0.209 4.550 4.340 0.001 0.000 0.241 547 R C -0.355 176.058 176.300 0.188 0.000 0.914 547 R CA -0.423 55.758 56.100 0.135 0.000 1.071 547 R CB 0.270 30.642 30.300 0.120 0.000 1.116 547 R HN 0.079 nan 8.270 nan 0.000 0.524 548 L N 1.016 122.339 121.223 0.167 0.000 2.289 548 L HA 0.343 4.683 4.340 0.001 0.000 0.285 548 L C -0.698 176.294 176.870 0.203 0.000 1.049 548 L CA 0.351 55.308 54.840 0.195 0.000 0.804 548 L CB 1.836 43.995 42.059 0.167 0.000 1.195 548 L HN -0.149 nan 8.230 nan 0.000 0.428 549 T N 6.620 121.272 114.554 0.164 0.000 2.807 549 T HA 0.636 4.986 4.350 0.001 0.000 0.279 549 T C -0.311 174.315 174.700 -0.123 0.000 0.993 549 T CA -0.265 61.871 62.100 0.059 0.000 0.970 549 T CB 0.937 69.852 68.868 0.079 0.000 0.950 549 T HN 0.587 nan 8.240 nan 0.000 0.441 550 I N 1.231 121.690 120.570 -0.185 0.000 2.603 550 I HA 0.720 4.890 4.170 0.001 0.000 0.300 550 I C -0.413 175.520 176.117 -0.308 0.000 1.017 550 I CA -0.797 60.357 61.300 -0.243 0.000 1.098 550 I CB 1.968 39.828 38.000 -0.232 0.000 1.279 550 I HN 0.482 nan 8.210 nan 0.000 0.437 551 N N 2.875 121.383 118.700 -0.320 0.000 2.331 551 N HA 0.737 5.478 4.740 0.001 0.000 0.280 551 N C -1.330 174.055 175.510 -0.207 0.000 1.155 551 N CA -0.379 52.519 53.050 -0.254 0.000 0.822 551 N CB 2.814 41.084 38.487 -0.363 0.000 1.619 551 N HN 1.097 nan 8.380 nan 0.000 0.476 552 G N -0.107 108.595 108.800 -0.164 0.000 2.646 552 G HA2 0.609 4.569 3.960 0.001 0.000 0.291 552 G HA3 0.609 4.569 3.960 0.001 0.000 0.291 552 G C -1.525 173.337 174.900 -0.062 0.000 1.445 552 G CA -0.597 44.347 45.100 -0.259 0.000 0.814 552 G HN 0.581 nan 8.290 nan 0.000 0.495 553 G N -0.861 107.947 108.800 0.013 0.000 2.566 553 G HA2 0.843 4.803 3.960 0.001 0.000 0.311 553 G HA3 0.843 4.803 3.960 0.001 0.000 0.311 553 G C 0.534 175.461 174.900 0.044 0.000 1.322 553 G CA 1.137 46.255 45.100 0.029 0.000 0.969 553 G HN 2.275 nan 8.290 nan 0.000 0.490 554 A N 2.526 125.343 122.820 -0.004 0.000 5.122 554 A HA -0.354 3.966 4.320 0.001 0.000 0.315 554 A C 2.073 179.573 177.584 -0.140 0.000 1.926 554 A CA 2.172 54.206 52.037 -0.004 0.000 0.712 554 A CB -1.573 17.508 19.000 0.134 0.000 1.325 554 A HN 1.785 nan 8.150 nan 0.000 0.371 555 N N 0.721 119.297 118.700 -0.206 0.000 2.272 555 N HA 0.057 4.797 4.740 0.001 0.000 0.185 555 N C 1.587 176.856 175.510 -0.401 0.000 1.014 555 N CA 2.787 55.636 53.050 -0.334 0.000 0.870 555 N CB -0.672 37.508 38.487 -0.511 0.000 0.975 555 N HN 1.087 nan 8.380 nan 0.000 0.433 556 G N -1.144 107.460 108.800 -0.327 0.000 2.484 556 G HA2 -0.055 3.905 3.960 0.001 0.000 0.218 556 G HA3 -0.055 3.905 3.960 0.001 0.000 0.218 556 G C 1.404 176.146 174.900 -0.262 0.000 1.130 556 G CA 0.530 45.446 45.100 -0.307 0.000 0.784 556 G HN 0.430 nan 8.290 nan 0.000 0.543 557 G N 1.023 109.715 108.800 -0.180 0.000 2.394 557 G HA2 -0.075 3.886 3.960 0.001 0.000 0.215 557 G HA3 -0.075 3.886 3.960 0.001 0.000 0.215 557 G C 1.704 176.487 174.900 -0.196 0.000 1.165 557 G CA 0.960 45.966 45.100 -0.157 0.000 0.784 557 G HN 0.417 nan 8.290 nan 0.000 0.535 558 L N 0.407 121.504 121.223 -0.210 0.000 2.017 558 L HA 0.036 4.376 4.340 0.001 0.000 0.208 558 L C 2.503 179.282 176.870 -0.152 0.000 1.073 558 L CA 1.779 56.496 54.840 -0.205 0.000 0.745 558 L CB -0.711 41.241 42.059 -0.178 0.000 0.894 558 L HN 0.180 nan 8.230 nan 0.000 0.432 559 L N -0.315 120.823 121.223 -0.140 0.000 1.971 559 L HA -0.187 4.153 4.340 0.001 0.000 0.215 559 L C 2.602 179.357 176.870 -0.191 0.000 1.072 559 L CA 2.563 57.340 54.840 -0.104 0.000 0.758 559 L CB -0.909 40.908 42.059 -0.404 0.000 0.889 559 L HN 0.359 nan 8.230 nan 0.000 0.433 560 V N -2.379 117.372 119.914 -0.271 0.000 2.515 560 V HA -0.088 4.032 4.120 0.001 0.000 0.250 560 V C 2.469 178.459 176.094 -0.175 0.000 1.058 560 V CA 1.424 63.585 62.300 -0.231 0.000 1.064 560 V CB -1.809 29.875 31.823 -0.232 0.000 0.675 560 V HN 0.491 nan 8.190 nan 0.000 0.461 561 A N 0.754 123.482 122.820 -0.152 0.000 1.898 561 A HA -0.133 4.187 4.320 0.001 0.000 0.216 561 A C 2.356 179.871 177.584 -0.114 0.000 1.181 561 A CA 2.538 54.527 52.037 -0.079 0.000 0.620 561 A CB -1.301 17.521 19.000 -0.295 0.000 0.819 561 A HN 0.548 nan 8.150 nan 0.000 0.442 562 T N -0.860 113.530 114.554 -0.272 0.000 2.777 562 T HA -0.169 4.182 4.350 0.001 0.000 0.266 562 T C 1.877 176.419 174.700 -0.264 0.000 1.040 562 T CA 1.548 63.407 62.100 -0.402 0.000 1.141 562 T CB -0.624 67.629 68.868 -1.025 0.000 0.868 562 T HN 0.560 nan 8.240 nan 0.000 0.444 563 C N 1.587 120.784 119.300 -0.172 0.000 2.422 563 C HA 0.086 4.547 4.460 0.001 0.000 0.279 563 C C 3.163 178.214 174.990 0.100 0.000 1.305 563 C CA 0.308 59.341 59.018 0.025 0.000 1.757 563 C CB -1.409 26.373 27.740 0.070 0.000 1.962 563 C HN 0.653 nan 8.230 nan 0.000 0.499 564 A N 1.213 124.016 122.820 -0.028 0.000 1.898 564 A HA -0.156 4.164 4.320 0.001 0.000 0.216 564 A C 1.949 179.426 177.584 -0.178 0.000 1.181 564 A CA 1.790 53.811 52.037 -0.028 0.000 0.620 564 A CB -0.531 18.473 19.000 0.007 0.000 0.819 564 A HN 0.627 nan 8.150 nan 0.000 0.442 565 N N -0.075 118.593 118.700 -0.054 0.000 2.142 565 N HA -0.139 4.601 4.740 0.001 0.000 0.186 565 N C 1.931 177.420 175.510 -0.035 0.000 1.023 565 N CA 1.608 54.656 53.050 -0.004 0.000 0.852 565 N CB -0.427 38.132 38.487 0.120 0.000 0.998 565 N HN 0.669 nan 8.380 nan 0.000 0.424 566 Q N -0.319 119.469 119.800 -0.021 0.000 2.123 566 Q HA 0.095 4.436 4.340 0.001 0.000 0.199 566 Q C 0.136 176.142 176.000 0.009 0.000 0.966 566 Q CA 0.854 56.660 55.803 0.004 0.000 0.845 566 Q CB 0.391 29.133 28.738 0.006 0.000 0.907 566 Q HN 0.063 nan 8.270 nan 0.000 0.439 567 R N 0.323 120.847 120.500 0.039 0.000 2.653 567 R HA 0.181 4.521 4.340 0.001 0.000 0.269 567 R C -2.201 174.072 176.300 -0.044 0.000 1.603 567 R CA -1.495 54.595 56.100 -0.018 0.000 1.671 567 R CB 0.754 31.027 30.300 -0.045 0.000 1.300 567 R HN 0.134 nan 8.270 nan 0.000 0.668 568 P HA -0.173 nan 4.420 nan 0.000 0.221 568 P C 0.606 177.851 177.300 -0.092 0.000 1.145 568 P CA 1.196 64.208 63.100 -0.147 0.000 0.795 568 P CB 0.293 31.780 31.700 -0.355 0.000 0.775 569 D N -0.617 119.707 120.400 -0.127 0.000 2.348 569 D HA -0.098 4.542 4.640 0.001 0.000 0.216 569 D C 1.752 177.916 176.300 -0.225 0.000 0.970 569 D CA 0.334 54.257 54.000 -0.128 0.000 0.889 569 D CB -0.600 40.139 40.800 -0.102 0.000 0.912 569 D HN 0.137 nan 8.370 nan 0.000 0.524 570 L N -0.704 120.250 121.223 -0.449 0.000 2.446 570 L HA 0.253 4.594 4.340 0.001 0.000 0.219 570 L C -0.335 176.024 176.870 -0.851 0.000 1.116 570 L CA 0.488 54.868 54.840 -0.766 0.000 0.844 570 L CB -0.038 41.309 42.059 -1.185 0.000 0.970 570 L HN -0.177 nan 8.230 nan 0.000 0.457 571 F N -2.353 117.578 119.950 -0.031 0.000 2.563 571 F HA 0.579 5.106 4.527 0.001 0.000 0.316 571 F C 1.258 177.065 175.800 0.012 0.000 1.076 571 F CA -0.645 57.349 58.000 -0.011 0.000 0.921 571 F CB 1.195 40.188 39.000 -0.011 0.000 1.209 571 F HN -0.279 nan 8.300 nan 0.000 0.462 572 G N -0.439 108.492 108.800 0.218 0.000 2.595 572 G HA2 0.148 4.108 3.960 0.001 0.000 0.213 572 G HA3 0.148 4.108 3.960 0.001 0.000 0.213 572 G C -0.435 174.559 174.900 0.158 0.000 1.141 572 G CA 0.345 45.536 45.100 0.150 0.000 0.806 572 G HN 0.648 nan 8.290 nan 0.000 0.530 573 C N -0.078 119.330 119.300 0.181 0.000 2.880 573 C HA 0.713 5.173 4.460 0.001 0.000 0.320 573 C C -1.389 173.681 174.990 0.134 0.000 1.176 573 C CA -0.625 58.501 59.018 0.180 0.000 1.390 573 C CB 1.182 29.021 27.740 0.166 0.000 1.846 573 C HN 0.094 nan 8.230 nan 0.000 0.478 574 V N 6.293 126.298 119.914 0.151 0.000 2.525 574 V HA 0.522 4.642 4.120 0.001 0.000 0.299 574 V C -0.543 175.573 176.094 0.038 0.000 1.034 574 V CA -0.247 62.067 62.300 0.023 0.000 0.863 574 V CB 1.683 33.501 31.823 -0.009 0.000 0.999 574 V HN 0.739 nan 8.190 nan 0.000 0.423 575 I N 4.163 124.710 120.570 -0.038 0.000 2.382 575 I HA 0.702 4.872 4.170 0.001 0.000 0.285 575 I C 0.262 176.336 176.117 -0.071 0.000 1.007 575 I CA -0.500 60.760 61.300 -0.066 0.000 1.142 575 I CB 1.754 39.717 38.000 -0.062 0.000 1.289 575 I HN 0.685 nan 8.210 nan 0.000 0.453 576 A N 6.589 129.376 122.820 -0.055 0.000 2.258 576 A HA 0.589 4.909 4.320 0.001 0.000 0.316 576 A C -0.484 177.081 177.584 -0.033 0.000 1.279 576 A CA -0.486 51.523 52.037 -0.046 0.000 0.876 576 A CB 0.602 19.595 19.000 -0.013 0.000 1.170 576 A HN 0.713 nan 8.150 nan 0.000 0.520 577 Q N 1.337 121.118 119.800 -0.032 0.000 2.257 577 Q HA 0.433 4.773 4.340 0.001 0.000 0.255 577 Q C 0.506 176.490 176.000 -0.027 0.000 0.920 577 Q CA -0.342 55.447 55.803 -0.025 0.000 0.927 577 Q CB 1.994 30.721 28.738 -0.019 0.000 1.229 577 Q HN 1.509 nan 8.270 nan 0.000 0.433 578 V N 0.117 120.030 119.914 -0.003 0.000 5.404 578 V HA -0.242 3.879 4.120 0.001 0.000 0.249 578 V C 0.249 176.369 176.094 0.043 0.000 0.682 578 V CA 0.866 63.194 62.300 0.048 0.000 0.608 578 V CB -2.289 29.558 31.823 0.040 0.000 0.311 578 V HN 0.813 nan 8.190 nan 0.000 0.680 579 G N 0.203 108.994 108.800 -0.014 0.000 2.448 579 G HA2 0.565 4.525 3.960 0.001 0.000 0.285 579 G HA3 0.565 4.525 3.960 0.001 0.000 0.285 579 G C -0.274 174.512 174.900 -0.190 0.000 1.176 579 G CA -0.299 44.742 45.100 -0.099 0.000 0.852 579 G HN 1.210 nan 8.290 nan 0.000 0.530 580 V N 3.671 123.405 119.914 -0.300 0.000 2.372 580 V HA 0.084 4.204 4.120 0.001 0.000 0.261 580 V C 0.655 176.557 176.094 -0.321 0.000 1.055 580 V CA -0.264 61.742 62.300 -0.489 0.000 0.930 580 V CB 0.974 32.564 31.823 -0.388 0.000 1.031 580 V HN 0.693 nan 8.190 nan 0.000 0.479 581 M N 1.182 120.685 119.600 -0.162 0.000 2.615 581 M HA 0.249 4.730 4.480 0.001 0.000 0.262 581 M C 0.727 177.044 176.300 0.029 0.000 1.198 581 M CA 0.489 55.694 55.300 -0.159 0.000 1.165 581 M CB -0.282 32.163 32.600 -0.260 0.000 1.310 581 M HN 0.537 nan 8.290 nan 0.000 0.494 582 D N 1.683 122.319 120.400 0.394 0.000 2.479 582 D HA 0.188 4.829 4.640 0.001 0.000 0.218 582 D C 0.733 177.300 176.300 0.445 0.000 1.131 582 D CA -0.010 54.198 54.000 0.347 0.000 0.916 582 D CB 0.798 41.766 40.800 0.279 0.000 1.022 582 D HN -0.037 nan 8.370 nan 0.000 0.515 583 M N 3.001 122.773 119.600 0.287 0.000 2.619 583 M HA 0.013 4.494 4.480 0.001 0.000 0.251 583 M C 1.508 178.051 176.300 0.404 0.000 1.106 583 M CA 0.474 55.953 55.300 0.298 0.000 1.086 583 M CB -0.179 32.373 32.600 -0.079 0.000 1.465 583 M HN 0.461 nan 8.290 nan 0.000 0.506 584 L N -0.829 120.553 121.223 0.265 0.000 2.416 584 L HA -0.047 4.293 4.340 0.001 0.000 0.216 584 L C 1.620 178.666 176.870 0.294 0.000 1.098 584 L CA 0.678 55.615 54.840 0.162 0.000 0.840 584 L CB -0.106 41.860 42.059 -0.154 0.000 0.981 584 L HN 0.255 nan 8.230 nan 0.000 0.462 585 K N -0.505 120.054 120.400 0.266 0.000 2.438 585 K HA 0.106 4.427 4.320 0.001 0.000 0.206 585 K C 1.597 178.131 176.600 -0.110 0.000 1.081 585 K CA -0.038 56.255 56.287 0.009 0.000 1.053 585 K CB 0.395 32.952 32.500 0.095 0.000 0.908 585 K HN 0.095 nan 8.250 nan 0.000 0.556 586 F N 2.259 122.400 119.950 0.318 0.000 2.154 586 F HA -0.267 4.261 4.527 0.001 0.000 0.301 586 F C 2.144 178.016 175.800 0.120 0.000 1.087 586 F CA 1.474 59.738 58.000 0.439 0.000 1.274 586 F CB -0.962 38.393 39.000 0.590 0.000 1.009 586 F HN 0.138 nan 8.300 nan 0.000 0.485 587 H N 0.571 119.054 119.070 -0.978 0.000 2.545 587 H HA 0.074 4.630 4.556 0.001 0.000 0.282 587 H C 1.195 176.280 175.328 -0.405 0.000 1.020 587 H CA 1.130 56.775 56.048 -0.671 0.000 1.243 587 H CB -0.680 28.646 29.762 -0.726 0.000 1.377 587 H HN 0.434 nan 8.280 nan 0.000 0.581 588 K N 0.222 119.995 120.400 -1.046 0.000 2.366 588 K HA 0.034 4.354 4.320 0.001 0.000 0.198 588 K C -0.352 175.778 176.600 -0.784 0.000 1.044 588 K CA 0.397 56.088 56.287 -0.993 0.000 0.973 588 K CB 0.220 31.915 32.500 -1.341 0.000 0.767 588 K HN 0.240 nan 8.250 nan 0.000 0.475 589 Y N 0.597 120.811 120.300 -0.143 0.000 2.487 589 Y HA 0.061 4.611 4.550 0.001 0.000 0.337 589 Y C 1.546 177.390 175.900 -0.094 0.000 1.076 589 Y CA -1.033 57.020 58.100 -0.078 0.000 1.115 589 Y CB 0.973 39.411 38.460 -0.038 0.000 1.235 589 Y HN 0.167 nan 8.280 nan 0.000 0.468 590 T N -0.396 114.224 114.554 0.110 0.000 3.485 590 T HA -0.409 3.941 4.350 0.001 0.000 0.120 590 T C 0.893 175.540 174.700 -0.088 0.000 1.733 590 T CA 2.020 64.129 62.100 0.014 0.000 0.863 590 T CB -1.143 67.739 68.868 0.023 0.000 0.967 590 T HN 0.628 nan 8.240 nan 0.000 0.405 591 I N 2.494 122.939 120.570 -0.208 0.000 3.904 591 I HA 0.500 4.670 4.170 0.001 0.000 0.333 591 I C 2.154 177.664 176.117 -1.011 0.000 1.361 591 I CA 0.482 61.476 61.300 -0.510 0.000 1.116 591 I CB -0.577 37.210 38.000 -0.355 0.000 1.028 591 I HN 0.736 nan 8.210 nan 0.000 0.398 592 G N 0.397 108.623 108.800 -0.956 0.000 2.462 592 G HA2 -0.347 3.613 3.960 0.001 0.000 0.220 592 G HA3 -0.347 3.613 3.960 0.001 0.000 0.220 592 G C 1.419 175.899 174.900 -0.700 0.000 1.121 592 G CA 1.341 45.650 45.100 -1.319 0.000 0.758 592 G HN 0.708 nan 8.290 nan 0.000 0.559 593 H N -0.413 118.453 119.070 -0.340 0.000 2.489 593 H HA 0.333 4.889 4.556 0.001 0.000 0.293 593 H C 2.310 177.594 175.328 -0.073 0.000 1.066 593 H CA 1.039 57.012 56.048 -0.126 0.000 1.305 593 H CB -0.463 29.244 29.762 -0.092 0.000 1.386 593 H HN 0.280 nan 8.280 nan 0.000 0.551 594 A N 0.592 123.107 122.820 -0.508 0.000 2.119 594 A HA -0.032 4.288 4.320 0.001 0.000 0.216 594 A C 1.096 178.773 177.584 0.156 0.000 1.152 594 A CA 0.677 52.614 52.037 -0.167 0.000 0.708 594 A CB -0.669 18.153 19.000 -0.296 0.000 0.805 594 A HN 0.576 nan 8.150 nan 0.000 0.460 595 W N 0.636 122.059 121.300 0.205 0.000 3.256 595 W HA 0.064 4.725 4.660 0.001 0.000 0.269 595 W C 2.029 178.680 176.519 0.219 0.000 1.310 595 W CA 0.863 58.351 57.345 0.239 0.000 1.673 595 W CB -1.668 27.902 29.460 0.183 0.000 1.115 595 W HN 0.518 nan 8.180 nan 0.000 0.686 596 T N -2.212 112.664 114.554 0.537 0.000 2.977 596 T HA -0.189 4.162 4.350 0.001 0.000 0.271 596 T C 1.691 176.532 174.700 0.236 0.000 1.105 596 T CA 1.915 64.300 62.100 0.475 0.000 1.116 596 T CB -0.704 68.385 68.868 0.368 0.000 0.878 596 T HN 0.151 nan 8.240 nan 0.000 0.509 597 T N -1.135 113.499 114.554 0.134 0.000 2.995 597 T HA -0.012 4.338 4.350 0.001 0.000 0.269 597 T C 1.381 176.011 174.700 -0.116 0.000 1.091 597 T CA 1.214 63.327 62.100 0.021 0.000 1.128 597 T CB -0.301 68.575 68.868 0.014 0.000 0.891 597 T HN 0.332 nan 8.240 nan 0.000 0.492 598 D N -0.361 119.877 120.400 -0.271 0.000 2.323 598 D HA 0.167 4.807 4.640 0.001 0.000 0.218 598 D C 1.205 177.334 176.300 -0.286 0.000 0.973 598 D CA 0.474 54.142 54.000 -0.554 0.000 0.890 598 D CB 0.097 40.059 40.800 -1.397 0.000 1.011 598 D HN 0.393 nan 8.370 nan 0.000 0.499 599 Y N -0.014 120.271 120.300 -0.025 0.000 2.479 599 Y HA 0.418 4.968 4.550 0.001 0.000 0.283 599 Y C 1.549 177.592 175.900 0.238 0.000 1.109 599 Y CA 0.440 58.591 58.100 0.085 0.000 1.239 599 Y CB -0.010 38.459 38.460 0.015 0.000 1.108 599 Y HN -0.038 nan 8.280 nan 0.000 0.548 600 G N -0.595 108.440 108.800 0.393 0.000 2.610 600 G HA2 -0.114 3.846 3.960 0.001 0.000 0.304 600 G HA3 -0.114 3.846 3.960 0.001 0.000 0.304 600 G C -1.296 173.910 174.900 0.510 0.000 1.309 600 G CA -0.949 44.296 45.100 0.242 0.000 0.906 600 G HN 0.400 nan 8.290 nan 0.000 0.521 601 C N 0.149 119.773 119.300 0.539 0.000 2.608 601 C HA 0.722 5.182 4.460 0.001 0.000 0.325 601 C C 1.969 177.018 174.990 0.099 0.000 1.147 601 C CA 0.711 59.826 59.018 0.162 0.000 1.359 601 C CB 0.753 28.469 27.740 -0.041 0.000 1.912 601 C HN 2.075 nan 8.230 nan 0.000 0.466 602 S N 2.053 117.782 115.700 0.048 0.000 2.465 602 S HA -0.166 4.304 4.470 0.001 0.000 0.241 602 S C 0.977 175.749 174.600 0.288 0.000 1.000 602 S CA 1.890 60.236 58.200 0.243 0.000 0.964 602 S CB -0.248 63.159 63.200 0.345 0.000 0.763 602 S HN 0.870 nan 8.310 nan 0.000 0.512 603 D N 1.773 122.212 120.400 0.064 0.000 2.218 603 D HA 0.013 4.653 4.640 0.001 0.000 0.204 603 D C 0.981 177.356 176.300 0.125 0.000 0.976 603 D CA 0.912 54.952 54.000 0.067 0.000 0.853 603 D CB -0.282 40.485 40.800 -0.056 0.000 0.939 603 D HN 0.533 nan 8.370 nan 0.000 0.481 604 S N 0.116 115.780 115.700 -0.059 0.000 2.513 604 S HA 0.179 4.649 4.470 0.001 0.000 0.276 604 S C 1.058 175.380 174.600 -0.463 0.000 1.254 604 S CA -0.719 57.298 58.200 -0.305 0.000 1.053 604 S CB 1.994 64.756 63.200 -0.731 0.000 0.958 604 S HN -0.166 nan 8.310 nan 0.000 0.491 605 K N 3.890 123.845 120.400 -0.742 0.000 2.032 605 K HA -0.164 4.156 4.320 0.001 0.000 0.209 605 K C 2.096 178.414 176.600 -0.469 0.000 1.048 605 K CA 2.292 57.995 56.287 -0.974 0.000 0.927 605 K CB -0.612 31.533 32.500 -0.592 0.000 0.712 605 K HN 0.809 nan 8.250 nan 0.000 0.441 606 Q N -0.496 119.043 119.800 -0.435 0.000 2.050 606 Q HA -0.211 4.129 4.340 0.001 0.000 0.202 606 Q C 1.996 177.486 176.000 -0.849 0.000 0.980 606 Q CA 1.940 57.457 55.803 -0.477 0.000 0.840 606 Q CB -0.212 28.305 28.738 -0.369 0.000 0.898 606 Q HN 0.698 nan 8.270 nan 0.000 0.424 607 H N -1.169 117.321 119.070 -0.965 0.000 2.353 607 H HA -0.149 4.408 4.556 0.001 0.000 0.300 607 H C 1.978 177.034 175.328 -0.453 0.000 1.090 607 H CA 0.923 56.374 56.048 -0.996 0.000 1.327 607 H CB -0.177 29.335 29.762 -0.416 0.000 1.383 607 H HN 0.319 nan 8.280 nan 0.000 0.508 608 F N 2.553 122.355 119.950 -0.248 0.000 2.120 608 F HA -0.222 4.306 4.527 0.001 0.000 0.300 608 F C 2.195 177.884 175.800 -0.186 0.000 1.095 608 F CA 1.299 59.199 58.000 -0.167 0.000 1.249 608 F CB -0.037 38.925 39.000 -0.064 0.000 0.995 608 F HN 0.027 nan 8.300 nan 0.000 0.480 609 E N -0.230 119.822 120.200 -0.247 0.000 2.204 609 E HA -0.214 4.137 4.350 0.001 0.000 0.195 609 E C 2.118 178.660 176.600 -0.097 0.000 0.990 609 E CA 1.254 57.534 56.400 -0.199 0.000 0.821 609 E CB -0.619 29.044 29.700 -0.060 0.000 0.750 609 E HN 0.574 nan 8.360 nan 0.000 0.477 610 W N 0.745 121.984 121.300 -0.101 0.000 2.444 610 W HA 0.072 4.732 4.660 0.001 0.000 0.308 610 W C 2.301 178.712 176.519 -0.180 0.000 1.183 610 W CA 0.062 57.388 57.345 -0.033 0.000 1.340 610 W CB -1.294 28.201 29.460 0.059 0.000 1.138 610 W HN 0.030 nan 8.180 nan 0.000 0.510 611 L N 0.024 121.196 121.223 -0.084 0.000 2.042 611 L HA -0.239 4.102 4.340 0.001 0.000 0.210 611 L C 2.390 178.839 176.870 -0.702 0.000 1.076 611 L CA 1.155 55.677 54.840 -0.530 0.000 0.749 611 L CB -1.076 40.800 42.059 -0.305 0.000 0.893 611 L HN -0.143 nan 8.230 nan 0.000 0.432 612 I N -0.103 120.018 120.570 -0.748 0.000 2.454 612 I HA -0.249 3.921 4.170 0.001 0.000 0.254 612 I C 2.292 178.199 176.117 -0.350 0.000 1.156 612 I CA 1.549 62.419 61.300 -0.717 0.000 1.433 612 I CB -0.275 37.064 38.000 -1.102 0.000 1.082 612 I HN 0.123 nan 8.210 nan 0.000 0.432 613 K N -0.748 119.517 120.400 -0.225 0.000 2.288 613 K HA -0.122 4.199 4.320 0.001 0.000 0.201 613 K C 1.330 177.955 176.600 0.040 0.000 1.048 613 K CA 1.601 57.871 56.287 -0.030 0.000 0.956 613 K CB -0.094 32.453 32.500 0.080 0.000 0.746 613 K HN 0.615 nan 8.250 nan 0.000 0.461 614 Y N -2.234 118.030 120.300 -0.059 0.000 2.432 614 Y HA 0.312 4.862 4.550 0.001 0.000 0.252 614 Y C 0.508 176.302 175.900 -0.176 0.000 1.097 614 Y CA -0.837 57.177 58.100 -0.142 0.000 1.250 614 Y CB -0.067 38.331 38.460 -0.104 0.000 1.245 614 Y HN -0.243 nan 8.280 nan 0.000 0.522 615 S N 3.915 119.414 115.700 -0.335 0.000 2.737 615 S HA 0.031 4.502 4.470 0.001 0.000 0.315 615 S C -1.438 173.114 174.600 -0.081 0.000 1.236 615 S CA -0.689 57.404 58.200 -0.178 0.000 1.093 615 S CB 0.523 63.708 63.200 -0.027 0.000 0.832 615 S HN 0.231 nan 8.310 nan 0.000 0.507 616 P HA -0.142 nan 4.420 nan 0.000 0.215 616 P C 1.554 178.785 177.300 -0.115 0.000 1.157 616 P CA 0.615 63.541 63.100 -0.290 0.000 0.874 616 P CB 0.044 31.267 31.700 -0.795 0.000 0.790 617 L N -1.347 119.755 121.223 -0.202 0.000 2.265 617 L HA -0.155 4.186 4.340 0.001 0.000 0.215 617 L C 1.241 177.903 176.870 -0.347 0.000 1.117 617 L CA 2.038 56.778 54.840 -0.167 0.000 0.782 617 L CB -1.120 40.724 42.059 -0.359 0.000 0.914 617 L HN 0.110 nan 8.230 nan 0.000 0.441 618 H N -1.829 117.271 119.070 0.050 0.000 2.542 618 H HA 0.338 4.894 4.556 0.001 0.000 0.283 618 H C 0.421 175.778 175.328 0.048 0.000 1.059 618 H CA 0.081 56.149 56.048 0.034 0.000 1.162 618 H CB 0.065 29.799 29.762 -0.048 0.000 1.539 618 H HN 0.280 nan 8.280 nan 0.000 0.543 619 N N 0.630 119.409 118.700 0.132 0.000 2.377 619 N HA 0.089 4.829 4.740 0.001 0.000 0.259 619 N C -0.828 174.791 175.510 0.182 0.000 1.332 619 N CA 0.116 53.246 53.050 0.133 0.000 0.877 619 N CB 1.988 40.528 38.487 0.087 0.000 1.299 619 N HN -0.014 nan 8.380 nan 0.000 0.501 620 V N 1.665 121.690 119.914 0.185 0.000 2.427 620 V HA 0.207 4.328 4.120 0.001 0.000 0.268 620 V C 0.374 176.539 176.094 0.118 0.000 1.046 620 V CA 0.219 62.621 62.300 0.170 0.000 0.970 620 V CB 0.820 32.678 31.823 0.059 0.000 1.001 620 V HN 0.111 nan 8.190 nan 0.000 0.476 621 K N 4.931 125.431 120.400 0.168 0.000 2.525 621 K HA 0.489 4.809 4.320 0.001 0.000 0.254 621 K C -1.105 175.596 176.600 0.167 0.000 0.934 621 K CA -0.877 55.488 56.287 0.130 0.000 0.802 621 K CB 1.801 34.385 32.500 0.139 0.000 1.295 621 K HN 0.523 nan 8.250 nan 0.000 0.433 622 L N 4.814 126.085 121.223 0.079 0.000 2.499 622 L HA 0.146 4.486 4.340 0.001 0.000 0.273 622 L C -1.977 174.977 176.870 0.140 0.000 1.195 622 L CA -1.549 53.345 54.840 0.091 0.000 0.882 622 L CB 0.179 42.255 42.059 0.029 0.000 1.133 622 L HN 0.492 nan 8.230 nan 0.000 0.483 623 P HA 0.002 nan 4.420 nan 0.000 0.268 623 P C 0.272 177.618 177.300 0.076 0.000 1.205 623 P CA -0.196 62.978 63.100 0.124 0.000 0.771 623 P CB 0.621 32.392 31.700 0.117 0.000 0.858 624 E N 1.716 121.950 120.200 0.057 0.000 2.051 624 E HA -0.096 4.255 4.350 0.001 0.000 0.192 624 E C 0.767 177.387 176.600 0.032 0.000 0.991 624 E CA 0.915 57.340 56.400 0.041 0.000 0.799 624 E CB -0.481 29.240 29.700 0.035 0.000 0.748 624 E HN 0.537 nan 8.360 nan 0.000 0.449 625 A N 2.217 125.054 122.820 0.029 0.000 2.477 625 A HA -0.002 4.318 4.320 0.001 0.000 0.246 625 A C 0.656 178.255 177.584 0.025 0.000 1.078 625 A CA -0.207 51.843 52.037 0.022 0.000 0.770 625 A CB 0.280 19.289 19.000 0.015 0.000 1.011 625 A HN -0.045 nan 8.150 nan 0.000 0.494 626 D N 1.300 121.711 120.400 0.019 0.000 2.178 626 D HA -0.150 4.491 4.640 0.001 0.000 0.201 626 D C 0.927 177.239 176.300 0.020 0.000 0.980 626 D CA 1.754 55.766 54.000 0.019 0.000 0.842 626 D CB -0.037 40.771 40.800 0.013 0.000 0.948 626 D HN 0.802 nan 8.370 nan 0.000 0.472 627 D N 0.147 120.556 120.400 0.016 0.000 2.319 627 D HA -0.024 4.616 4.640 0.001 0.000 0.230 627 D C 0.486 176.798 176.300 0.019 0.000 1.094 627 D CA -0.049 53.959 54.000 0.015 0.000 0.856 627 D CB -0.051 40.754 40.800 0.008 0.000 0.915 627 D HN 0.223 nan 8.370 nan 0.000 0.517 628 I N 1.143 121.729 120.570 0.028 0.000 2.436 628 I HA 0.237 4.408 4.170 0.001 0.000 0.289 628 I C -0.112 176.046 176.117 0.067 0.000 1.010 628 I CA -0.852 60.469 61.300 0.035 0.000 1.098 628 I CB 1.871 39.885 38.000 0.023 0.000 1.266 628 I HN -0.038 nan 8.210 nan 0.000 0.434 629 Q N 4.412 124.264 119.800 0.086 0.000 2.552 629 Q HA 0.513 4.854 4.340 0.001 0.000 0.289 629 Q C -1.501 174.624 176.000 0.208 0.000 1.097 629 Q CA -0.942 54.948 55.803 0.146 0.000 0.812 629 Q CB 1.702 30.507 28.738 0.111 0.000 1.460 629 Q HN 0.364 nan 8.270 nan 0.000 0.452 630 Y N 1.425 121.752 120.300 0.045 0.000 2.326 630 Y HA 0.263 4.814 4.550 0.001 0.000 0.333 630 Y C -1.918 174.031 175.900 0.082 0.000 1.240 630 Y CA -1.694 56.444 58.100 0.063 0.000 1.365 630 Y CB 0.435 38.921 38.460 0.043 0.000 1.289 630 Y HN 0.527 nan 8.280 nan 0.000 0.548 631 P HA 0.061 nan 4.420 nan 0.000 0.274 631 P C -0.786 176.640 177.300 0.209 0.000 1.256 631 P CA -0.376 62.830 63.100 0.176 0.000 0.795 631 P CB 0.664 32.476 31.700 0.187 0.000 1.038 632 S N 0.610 116.423 115.700 0.188 0.000 2.549 632 S HA 0.249 4.719 4.470 0.001 0.000 0.283 632 S C 0.423 175.246 174.600 0.371 0.000 1.320 632 S CA 0.142 58.483 58.200 0.236 0.000 1.058 632 S CB -0.526 62.715 63.200 0.069 0.000 0.882 632 S HN 0.319 nan 8.310 nan 0.000 0.498 633 M N 3.256 123.091 119.600 0.392 0.000 2.393 633 M HA 0.506 4.987 4.480 0.001 0.000 0.299 633 M C -1.381 174.905 176.300 -0.024 0.000 1.103 633 M CA -0.736 54.698 55.300 0.222 0.000 0.910 633 M CB 1.959 34.633 32.600 0.122 0.000 1.659 633 M HN 0.450 nan 8.290 nan 0.000 0.445 634 L N 4.568 125.618 121.223 -0.288 0.000 2.406 634 L HA 0.650 4.990 4.340 0.001 0.000 0.272 634 L C -1.863 174.855 176.870 -0.253 0.000 0.980 634 L CA -0.262 54.240 54.840 -0.563 0.000 0.831 634 L CB 1.477 42.810 42.059 -1.209 0.000 1.253 634 L HN 0.676 nan 8.230 nan 0.000 0.406 635 L N 6.042 127.173 121.223 -0.153 0.000 2.295 635 L HA 0.554 4.894 4.340 0.001 0.000 0.285 635 L C -0.811 176.031 176.870 -0.046 0.000 1.035 635 L CA -0.629 54.182 54.840 -0.047 0.000 0.806 635 L CB 1.506 43.582 42.059 0.028 0.000 1.214 635 L HN 0.533 nan 8.230 nan 0.000 0.426 636 L N 2.851 124.061 121.223 -0.021 0.000 2.356 636 L HA 0.669 5.009 4.340 0.001 0.000 0.277 636 L C -0.100 176.782 176.870 0.021 0.000 0.996 636 L CA -0.071 54.774 54.840 0.008 0.000 0.822 636 L CB 2.103 44.163 42.059 0.002 0.000 1.256 636 L HN 0.626 nan 8.230 nan 0.000 0.413 637 T N 1.697 116.265 114.554 0.023 0.000 2.681 637 T HA 0.899 5.249 4.350 0.001 0.000 0.296 637 T C -1.779 172.932 174.700 0.019 0.000 1.157 637 T CA -0.219 61.902 62.100 0.035 0.000 1.025 637 T CB 2.070 70.970 68.868 0.053 0.000 1.441 637 T HN 0.699 nan 8.240 nan 0.000 0.504 638 A N 0.804 123.652 122.820 0.047 0.000 2.572 638 A HA 0.612 4.932 4.320 0.001 0.000 0.295 638 A C 0.266 177.896 177.584 0.077 0.000 1.072 638 A CA -0.111 51.958 52.037 0.052 0.000 0.691 638 A CB 1.391 20.440 19.000 0.082 0.000 1.291 638 A HN 0.875 nan 8.150 nan 0.000 0.404 639 D N -0.291 120.161 120.400 0.086 0.000 2.348 639 D HA -0.097 4.543 4.640 0.001 0.000 0.216 639 D C 0.498 176.789 176.300 -0.014 0.000 0.970 639 D CA 1.601 55.628 54.000 0.045 0.000 0.889 639 D CB -0.247 40.569 40.800 0.027 0.000 0.912 639 D HN 0.616 nan 8.370 nan 0.000 0.524 640 H N -0.676 118.428 119.070 0.056 0.000 2.486 640 H HA 0.212 4.768 4.556 0.001 0.000 0.284 640 H C -0.545 174.836 175.328 0.089 0.000 1.103 640 H CA -0.566 55.526 56.048 0.074 0.000 1.089 640 H CB 0.166 29.973 29.762 0.075 0.000 1.603 640 H HN -0.018 nan 8.280 nan 0.000 0.557 641 D N 1.586 122.088 120.400 0.169 0.000 2.455 641 D HA -0.044 4.597 4.640 0.001 0.000 0.234 641 D C 0.304 176.687 176.300 0.138 0.000 1.224 641 D CA -0.097 54.011 54.000 0.179 0.000 0.999 641 D CB 0.232 41.155 40.800 0.206 0.000 1.072 641 D HN 0.412 nan 8.370 nan 0.000 0.514 642 D N 2.017 122.487 120.400 0.116 0.000 2.340 642 D HA -0.064 4.577 4.640 0.001 0.000 0.220 642 D C 1.601 177.947 176.300 0.076 0.000 1.039 642 D CA -0.026 54.020 54.000 0.075 0.000 0.866 642 D CB 0.180 41.000 40.800 0.032 0.000 0.913 642 D HN 0.200 nan 8.370 nan 0.000 0.523 643 R N 0.588 121.124 120.500 0.060 0.000 2.052 643 R HA 0.135 4.475 4.340 0.001 0.000 0.226 643 R C 0.088 176.486 176.300 0.163 0.000 1.145 643 R CA 0.898 57.005 56.100 0.012 0.000 0.952 643 R CB -0.124 29.927 30.300 -0.415 0.000 0.847 643 R HN 0.034 nan 8.270 nan 0.000 0.431 644 V N 3.377 123.348 119.914 0.095 0.000 2.266 644 V HA 0.243 4.364 4.120 0.001 0.000 0.271 644 V C -0.514 175.755 176.094 0.292 0.000 1.032 644 V CA -1.016 61.454 62.300 0.283 0.000 0.806 644 V CB 0.986 32.896 31.823 0.144 0.000 1.052 644 V HN 0.261 nan 8.190 nan 0.000 0.449 645 V N 4.426 124.522 119.914 0.302 0.000 2.681 645 V HA 0.085 4.206 4.120 0.001 0.000 0.306 645 V C -0.455 175.723 176.094 0.141 0.000 1.077 645 V CA -0.417 61.966 62.300 0.137 0.000 1.224 645 V CB 0.125 31.919 31.823 -0.048 0.000 0.879 645 V HN 0.650 nan 8.190 nan 0.000 0.494 646 P HA -0.177 nan 4.420 nan 0.000 0.223 646 P C 1.482 178.778 177.300 -0.008 0.000 1.144 646 P CA 1.507 64.638 63.100 0.051 0.000 0.783 646 P CB -0.010 31.707 31.700 0.028 0.000 0.771 647 L N -2.871 118.275 121.223 -0.128 0.000 2.187 647 L HA -0.147 4.193 4.340 0.001 0.000 0.213 647 L C 2.497 179.265 176.870 -0.170 0.000 1.100 647 L CA 1.819 56.521 54.840 -0.230 0.000 0.765 647 L CB -2.306 39.516 42.059 -0.394 0.000 0.904 647 L HN -0.039 nan 8.230 nan 0.000 0.437 648 H N 0.329 119.374 119.070 -0.043 0.000 2.290 648 H HA -0.078 4.478 4.556 0.001 0.000 0.298 648 H C 2.392 177.739 175.328 0.031 0.000 1.087 648 H CA 1.936 57.991 56.048 0.012 0.000 1.291 648 H CB -0.172 29.622 29.762 0.052 0.000 1.369 648 H HN 0.483 nan 8.280 nan 0.000 0.492 649 S N 0.563 116.370 115.700 0.178 0.000 2.406 649 S HA -0.033 4.437 4.470 0.001 0.000 0.228 649 S C 2.495 177.160 174.600 0.108 0.000 1.020 649 S CA 0.358 58.654 58.200 0.160 0.000 0.965 649 S CB -0.102 63.170 63.200 0.120 0.000 0.798 649 S HN 0.224 nan 8.310 nan 0.000 0.488 650 L N 1.109 122.345 121.223 0.022 0.000 2.017 650 L HA -0.133 4.207 4.340 0.001 0.000 0.208 650 L C 2.364 179.104 176.870 -0.216 0.000 1.073 650 L CA 1.356 56.159 54.840 -0.062 0.000 0.745 650 L CB -0.573 41.340 42.059 -0.242 0.000 0.894 650 L HN 0.243 nan 8.230 nan 0.000 0.432 651 K N -0.592 119.685 120.400 -0.206 0.000 2.097 651 K HA -0.173 4.148 4.320 0.001 0.000 0.205 651 K C 2.087 178.662 176.600 -0.041 0.000 1.050 651 K CA 1.267 57.443 56.287 -0.186 0.000 0.938 651 K CB -0.270 32.166 32.500 -0.108 0.000 0.718 651 K HN 0.046 nan 8.250 nan 0.000 0.442 652 F N 1.712 121.594 119.950 -0.114 0.000 2.102 652 F HA -0.156 4.371 4.527 0.001 0.000 0.298 652 F C 2.011 177.751 175.800 -0.101 0.000 1.105 652 F CA 0.829 58.779 58.000 -0.084 0.000 1.239 652 F CB -0.346 38.629 39.000 -0.042 0.000 0.991 652 F HN -0.128 nan 8.300 nan 0.000 0.474 653 I N 0.507 120.987 120.570 -0.150 0.000 2.315 653 I HA -0.131 4.039 4.170 0.001 0.000 0.248 653 I C 2.398 178.350 176.117 -0.276 0.000 1.117 653 I CA 1.490 62.633 61.300 -0.262 0.000 1.404 653 I CB -1.003 36.928 38.000 -0.115 0.000 1.071 653 I HN 0.146 nan 8.210 nan 0.000 0.419 654 A N -0.896 121.762 122.820 -0.270 0.000 1.902 654 A HA -0.210 4.111 4.320 0.001 0.000 0.217 654 A C 2.341 179.624 177.584 -0.500 0.000 1.181 654 A CA 2.445 54.166 52.037 -0.527 0.000 0.623 654 A CB -1.296 16.968 19.000 -1.227 0.000 0.818 654 A HN 0.452 nan 8.150 nan 0.000 0.443 655 T N 0.398 114.766 114.554 -0.309 0.000 2.737 655 T HA -0.042 4.308 4.350 0.001 0.000 0.265 655 T C 1.838 176.453 174.700 -0.142 0.000 1.038 655 T CA 1.360 63.448 62.100 -0.020 0.000 1.144 655 T CB -0.377 68.528 68.868 0.062 0.000 0.866 655 T HN 0.351 nan 8.240 nan 0.000 0.434 656 L N 0.795 121.799 121.223 -0.365 0.000 2.012 656 L HA -0.184 4.157 4.340 0.001 0.000 0.210 656 L C 2.942 179.582 176.870 -0.384 0.000 1.073 656 L CA 1.530 56.098 54.840 -0.452 0.000 0.748 656 L CB -0.598 41.101 42.059 -0.600 0.000 0.891 656 L HN 0.305 nan 8.230 nan 0.000 0.431 657 Q N -1.469 118.082 119.800 -0.415 0.000 2.124 657 Q HA -0.249 4.091 4.340 0.001 0.000 0.202 657 Q C 2.038 177.906 176.000 -0.221 0.000 0.977 657 Q CA 1.880 57.368 55.803 -0.525 0.000 0.850 657 Q CB -0.191 28.138 28.738 -0.682 0.000 0.901 657 Q HN 0.478 nan 8.270 nan 0.000 0.429 658 Y N 0.646 120.838 120.300 -0.181 0.000 2.176 658 Y HA -0.157 4.394 4.550 0.001 0.000 0.291 658 Y C 1.919 177.788 175.900 -0.050 0.000 1.122 658 Y CA 1.087 59.162 58.100 -0.043 0.000 1.128 658 Y CB 0.069 38.581 38.460 0.088 0.000 1.005 658 Y HN -0.010 nan 8.280 nan 0.000 0.509 659 I N -0.875 119.674 120.570 -0.035 0.000 2.286 659 I HA -0.173 3.997 4.170 0.001 0.000 0.245 659 I C 2.043 178.036 176.117 -0.206 0.000 1.104 659 I CA 1.184 62.408 61.300 -0.128 0.000 1.397 659 I CB -1.065 36.922 38.000 -0.022 0.000 1.072 659 I HN 0.193 nan 8.210 nan 0.000 0.417 660 V N 0.317 120.076 119.914 -0.259 0.000 2.788 660 V HA 0.161 4.282 4.120 0.001 0.000 0.241 660 V C 2.550 178.536 176.094 -0.181 0.000 1.083 660 V CA 1.196 63.325 62.300 -0.284 0.000 1.103 660 V CB -0.717 30.775 31.823 -0.551 0.000 0.800 660 V HN 0.388 nan 8.190 nan 0.000 0.476 661 G N 0.459 109.146 108.800 -0.189 0.000 2.450 661 G HA2 -0.239 3.721 3.960 0.001 0.000 0.220 661 G HA3 -0.239 3.721 3.960 0.001 0.000 0.220 661 G C 1.678 176.607 174.900 0.050 0.000 1.130 661 G CA 0.633 45.707 45.100 -0.043 0.000 0.760 661 G HN 0.422 nan 8.290 nan 0.000 0.557 662 R N 0.732 121.198 120.500 -0.057 0.000 2.235 662 R HA 0.057 4.397 4.340 0.001 0.000 0.213 662 R C 1.375 177.638 176.300 -0.061 0.000 1.059 662 R CA 0.541 56.605 56.100 -0.061 0.000 0.997 662 R CB -0.085 30.108 30.300 -0.179 0.000 0.884 662 R HN 0.443 nan 8.270 nan 0.000 0.462 663 S N 0.496 116.157 115.700 -0.066 0.000 2.549 663 S HA 0.075 4.546 4.470 0.001 0.000 0.283 663 S C 0.947 175.534 174.600 -0.022 0.000 1.320 663 S CA -0.680 57.491 58.200 -0.047 0.000 1.058 663 S CB 1.882 65.056 63.200 -0.044 0.000 0.882 663 S HN 0.080 nan 8.310 nan 0.000 0.498 664 R N 2.986 123.475 120.500 -0.020 0.000 2.105 664 R HA -0.134 4.206 4.340 0.001 0.000 0.239 664 R C 2.131 178.427 176.300 -0.007 0.000 1.135 664 R CA 2.290 58.381 56.100 -0.015 0.000 0.967 664 R CB -0.638 29.654 30.300 -0.013 0.000 0.861 664 R HN 0.925 nan 8.270 nan 0.000 0.442 665 K N -0.466 119.935 120.400 0.001 0.000 2.365 665 K HA -0.100 4.220 4.320 0.001 0.000 0.199 665 K C 0.385 176.998 176.600 0.022 0.000 1.045 665 K CA 0.561 56.855 56.287 0.012 0.000 0.962 665 K CB -0.043 32.469 32.500 0.019 0.000 0.759 665 K HN -0.016 nan 8.250 nan 0.000 0.469 666 Q N 1.818 121.631 119.800 0.021 0.000 2.324 666 Q HA 0.102 4.442 4.340 0.001 0.000 0.257 666 Q C -0.390 175.628 176.000 0.029 0.000 1.080 666 Q CA 0.079 55.905 55.803 0.038 0.000 0.907 666 Q CB 0.731 29.488 28.738 0.032 0.000 1.274 666 Q HN 0.238 nan 8.270 nan 0.000 0.434 667 N N 2.613 121.333 118.700 0.034 0.000 2.273 667 N HA 0.071 4.811 4.740 0.001 0.000 0.192 667 N C -0.676 174.855 175.510 0.035 0.000 1.132 667 N CA 0.011 53.068 53.050 0.011 0.000 0.887 667 N CB 0.422 38.915 38.487 0.010 0.000 1.048 667 N HN 0.416 nan 8.380 nan 0.000 0.490 668 N N 2.865 121.608 118.700 0.072 0.000 2.520 668 N HA 0.189 4.930 4.740 0.001 0.000 0.273 668 N C -2.346 173.243 175.510 0.131 0.000 1.155 668 N CA -0.937 52.171 53.050 0.097 0.000 0.967 668 N CB 0.806 39.364 38.487 0.118 0.000 1.092 668 N HN 0.154 nan 8.380 nan 0.000 0.457 669 P HA 0.207 nan 4.420 nan 0.000 0.274 669 P C -0.808 176.642 177.300 0.250 0.000 1.231 669 P CA -0.175 63.055 63.100 0.218 0.000 0.790 669 P CB 0.986 32.689 31.700 0.006 0.000 0.951 670 L N 3.013 124.393 121.223 0.262 0.000 2.388 670 L HA 0.473 4.813 4.340 0.001 0.000 0.267 670 L C -0.028 176.840 176.870 -0.003 0.000 0.995 670 L CA -0.326 54.547 54.840 0.056 0.000 0.864 670 L CB 0.868 42.855 42.059 -0.120 0.000 1.216 670 L HN 0.228 nan 8.230 nan 0.000 0.430 671 L N 3.460 124.642 121.223 -0.069 0.000 2.309 671 L HA 0.682 5.023 4.340 0.001 0.000 0.261 671 L C -0.778 175.991 176.870 -0.168 0.000 1.021 671 L CA -0.778 53.979 54.840 -0.138 0.000 0.823 671 L CB 3.126 45.065 42.059 -0.201 0.000 1.366 671 L HN 0.446 nan 8.230 nan 0.000 0.423 672 I N -0.073 120.416 120.570 -0.136 0.000 2.730 672 I HA 0.418 4.588 4.170 0.001 0.000 0.298 672 I C -1.437 174.662 176.117 -0.029 0.000 1.089 672 I CA -0.344 60.904 61.300 -0.086 0.000 1.041 672 I CB 2.352 40.316 38.000 -0.060 0.000 1.235 672 I HN 0.652 nan 8.210 nan 0.000 0.423 673 H N 6.776 125.787 119.070 -0.099 0.000 2.744 673 H HA 0.487 5.043 4.556 0.001 0.000 0.339 673 H C -1.938 173.370 175.328 -0.033 0.000 1.004 673 H CA -0.570 55.435 56.048 -0.072 0.000 1.257 673 H CB 1.990 31.707 29.762 -0.075 0.000 1.552 673 H HN 0.360 nan 8.280 nan 0.000 0.522 674 V N 5.585 125.202 119.914 -0.496 0.000 2.347 674 V HA 0.061 4.181 4.120 0.001 0.000 0.280 674 V C 0.313 176.117 176.094 -0.483 0.000 1.021 674 V CA -0.650 61.453 62.300 -0.328 0.000 0.847 674 V CB 1.237 32.976 31.823 -0.141 0.000 0.990 674 V HN 0.736 nan 8.190 nan 0.000 0.444 675 D N 3.350 123.574 120.400 -0.294 0.000 2.348 675 D HA 0.501 5.142 4.640 0.001 0.000 0.249 675 D C 0.333 176.617 176.300 -0.025 0.000 1.110 675 D CA 0.039 53.956 54.000 -0.137 0.000 0.967 675 D CB 1.679 42.496 40.800 0.028 0.000 1.139 675 D HN 0.684 nan 8.370 nan 0.000 0.466 676 T N -1.323 113.243 114.554 0.020 0.000 2.945 676 T HA 0.406 4.756 4.350 0.001 0.000 0.286 676 T C -0.000 174.732 174.700 0.054 0.000 1.025 676 T CA -0.906 61.233 62.100 0.065 0.000 1.039 676 T CB 1.076 69.977 68.868 0.056 0.000 1.068 676 T HN 0.498 nan 8.240 nan 0.000 0.497 677 K N -0.388 120.037 120.400 0.041 0.000 3.035 677 K HA -0.080 4.241 4.320 0.001 0.000 0.262 677 K C -0.047 176.507 176.600 -0.077 0.000 1.024 677 K CA 0.611 56.826 56.287 -0.120 0.000 0.748 677 K CB -2.090 30.362 32.500 -0.080 0.000 1.247 677 K HN 1.038 nan 8.250 nan 0.000 0.482 678 A N -0.881 121.944 122.820 0.010 0.000 2.594 678 A HA 0.860 5.181 4.320 0.001 0.000 0.291 678 A C 0.197 177.853 177.584 0.120 0.000 1.105 678 A CA -0.104 51.961 52.037 0.046 0.000 0.694 678 A CB 1.964 20.995 19.000 0.052 0.000 1.291 678 A HN 0.258 nan 8.150 nan 0.000 0.410 679 G N -1.257 107.613 108.800 0.117 0.000 3.253 679 G HA2 0.408 4.368 3.960 0.001 0.000 0.175 679 G HA3 0.408 4.368 3.960 0.001 0.000 0.175 679 G C 0.535 175.534 174.900 0.166 0.000 1.098 679 G CA 0.505 45.705 45.100 0.166 0.000 0.790 679 G HN 0.870 nan 8.290 nan 0.000 0.648 680 H N -0.436 118.680 119.070 0.078 0.000 2.422 680 H HA 0.096 4.652 4.556 0.001 0.000 0.298 680 H C 1.965 177.321 175.328 0.046 0.000 1.098 680 H CA 2.934 59.019 56.048 0.062 0.000 1.315 680 H CB 0.196 29.999 29.762 0.067 0.000 1.382 680 H HN 0.833 nan 8.280 nan 0.000 0.523 681 G N -2.175 106.645 108.800 0.034 0.000 3.505 681 G HA2 -0.058 3.902 3.960 0.001 0.000 0.210 681 G HA3 -0.058 3.902 3.960 0.001 0.000 0.210 681 G C 0.281 175.192 174.900 0.017 0.000 1.047 681 G CA -0.073 45.013 45.100 -0.024 0.000 0.884 681 G HN 0.603 nan 8.290 nan 0.000 0.434 682 A N 0.694 123.544 122.820 0.050 0.000 2.511 682 A HA 0.565 4.885 4.320 0.001 0.000 0.242 682 A C 1.925 179.538 177.584 0.048 0.000 1.069 682 A CA 1.852 53.918 52.037 0.049 0.000 0.763 682 A CB -0.268 18.773 19.000 0.069 0.000 1.001 682 A HN 2.421 nan 8.150 nan 0.000 0.498 683 G N 1.135 109.957 108.800 0.036 0.000 2.184 683 G HA2 -0.285 3.675 3.960 0.001 0.000 0.264 683 G HA3 -0.285 3.675 3.960 0.001 0.000 0.264 683 G C 0.412 175.331 174.900 0.032 0.000 0.975 683 G CA 0.733 45.854 45.100 0.036 0.000 0.642 683 G HN 1.072 nan 8.290 nan 0.000 0.536 684 K N 2.021 122.438 120.400 0.029 0.000 2.451 684 K HA 0.297 4.618 4.320 0.001 0.000 0.280 684 K C -1.550 175.066 176.600 0.026 0.000 1.020 684 K CA -0.946 55.356 56.287 0.025 0.000 1.008 684 K CB 0.624 33.135 32.500 0.019 0.000 0.917 684 K HN 0.172 nan 8.250 nan 0.000 0.478 685 P HA -0.024 nan 4.420 nan 0.000 0.269 685 P C 0.173 177.495 177.300 0.036 0.000 1.209 685 P CA -0.149 62.968 63.100 0.029 0.000 0.776 685 P CB 0.821 32.535 31.700 0.023 0.000 0.876 686 T N 2.093 116.681 114.554 0.056 0.000 2.685 686 T HA -0.250 4.101 4.350 0.001 0.000 0.268 686 T C 1.875 176.606 174.700 0.053 0.000 1.034 686 T CA 2.427 64.579 62.100 0.087 0.000 1.149 686 T CB -0.738 68.215 68.868 0.142 0.000 0.860 686 T HN 0.565 nan 8.240 nan 0.000 0.449 687 A N 1.496 124.343 122.820 0.044 0.000 1.908 687 A HA -0.177 4.143 4.320 0.001 0.000 0.218 687 A C 2.284 179.885 177.584 0.028 0.000 1.181 687 A CA 1.797 53.856 52.037 0.036 0.000 0.627 687 A CB -0.458 18.560 19.000 0.030 0.000 0.818 687 A HN 0.483 nan 8.150 nan 0.000 0.445 688 K N -0.641 119.774 120.400 0.026 0.000 2.155 688 K HA 0.003 4.323 4.320 0.001 0.000 0.203 688 K C 1.863 178.472 176.600 0.015 0.000 1.052 688 K CA 1.097 57.400 56.287 0.026 0.000 0.948 688 K CB -0.235 32.283 32.500 0.030 0.000 0.728 688 K HN 0.315 nan 8.250 nan 0.000 0.448 689 V N 1.842 121.754 119.914 -0.003 0.000 2.295 689 V HA -0.252 3.868 4.120 0.001 0.000 0.246 689 V C 2.138 178.207 176.094 -0.041 0.000 1.049 689 V CA 1.635 63.913 62.300 -0.037 0.000 1.024 689 V CB -0.340 31.432 31.823 -0.086 0.000 0.648 689 V HN 0.275 nan 8.190 nan 0.000 0.447 690 I N -0.355 120.194 120.570 -0.035 0.000 2.226 690 I HA -0.178 3.993 4.170 0.001 0.000 0.245 690 I C 2.630 178.777 176.117 0.050 0.000 1.100 690 I CA 1.246 62.548 61.300 0.005 0.000 1.374 690 I CB -0.418 37.596 38.000 0.023 0.000 1.057 690 I HN 0.323 nan 8.210 nan 0.000 0.413 691 E N 0.605 120.823 120.200 0.030 0.000 2.077 691 E HA -0.268 4.083 4.350 0.001 0.000 0.193 691 E C 1.936 178.537 176.600 0.002 0.000 0.989 691 E CA 1.164 57.577 56.400 0.021 0.000 0.800 691 E CB -0.259 29.450 29.700 0.015 0.000 0.746 691 E HN 0.566 nan 8.360 nan 0.000 0.452 692 E N 0.841 121.044 120.200 0.005 0.000 2.031 692 E HA -0.162 4.188 4.350 0.001 0.000 0.193 692 E C 2.241 178.830 176.600 -0.019 0.000 0.994 692 E CA 1.971 58.365 56.400 -0.010 0.000 0.800 692 E CB 0.086 29.787 29.700 0.003 0.000 0.752 692 E HN 0.152 nan 8.360 nan 0.000 0.447 693 V N -1.081 118.853 119.914 0.033 0.000 2.490 693 V HA -0.166 3.955 4.120 0.001 0.000 0.250 693 V C 2.207 178.301 176.094 -0.000 0.000 1.061 693 V CA 1.902 64.257 62.300 0.092 0.000 1.064 693 V CB -0.539 31.438 31.823 0.256 0.000 0.670 693 V HN 0.113 nan 8.190 nan 0.000 0.461 694 S N 0.673 116.400 115.700 0.045 0.000 2.368 694 S HA -0.178 4.292 4.470 0.001 0.000 0.225 694 S C 1.712 176.258 174.600 -0.090 0.000 1.030 694 S CA 1.718 59.912 58.200 -0.011 0.000 0.999 694 S CB -0.532 62.745 63.200 0.129 0.000 0.844 694 S HN 0.701 nan 8.310 nan 0.000 0.459 695 D N 1.390 121.744 120.400 -0.076 0.000 2.097 695 D HA -0.042 4.598 4.640 0.001 0.000 0.195 695 D C 1.936 178.193 176.300 -0.072 0.000 0.989 695 D CA 1.011 54.961 54.000 -0.083 0.000 0.827 695 D CB -0.337 40.376 40.800 -0.145 0.000 0.966 695 D HN 0.342 nan 8.370 nan 0.000 0.456 696 M N -0.369 119.134 119.600 -0.162 0.000 2.082 696 M HA -0.187 4.293 4.480 0.001 0.000 0.258 696 M C 2.075 178.180 176.300 -0.325 0.000 1.071 696 M CA 1.527 56.658 55.300 -0.280 0.000 1.103 696 M CB -0.414 31.893 32.600 -0.488 0.000 1.307 696 M HN -0.033 nan 8.290 nan 0.000 0.409 697 F N -0.193 119.635 119.950 -0.204 0.000 2.407 697 F HA -0.005 4.522 4.527 0.001 0.000 0.299 697 F C 2.480 178.256 175.800 -0.039 0.000 1.097 697 F CA 0.954 58.839 58.000 -0.192 0.000 1.422 697 F CB -0.881 37.792 39.000 -0.544 0.000 1.067 697 F HN 0.119 nan 8.300 nan 0.000 0.539 698 A N -0.420 122.439 122.820 0.065 0.000 1.929 698 A HA -0.144 4.176 4.320 0.001 0.000 0.216 698 A C 2.044 179.721 177.584 0.156 0.000 1.176 698 A CA 0.908 53.004 52.037 0.098 0.000 0.628 698 A CB -1.168 17.860 19.000 0.047 0.000 0.816 698 A HN 0.342 nan 8.150 nan 0.000 0.444 699 F N 0.897 120.874 119.950 0.046 0.000 2.102 699 F HA -0.161 4.367 4.527 0.001 0.000 0.298 699 F C 1.977 177.868 175.800 0.153 0.000 1.105 699 F CA 1.686 59.766 58.000 0.134 0.000 1.239 699 F CB -0.292 38.762 39.000 0.090 0.000 0.991 699 F HN 0.178 nan 8.300 nan 0.000 0.474 700 I N 0.114 120.791 120.570 0.179 0.000 2.163 700 I HA -0.352 3.818 4.170 0.001 0.000 0.243 700 I C 2.696 178.899 176.117 0.143 0.000 1.085 700 I CA 1.318 62.706 61.300 0.147 0.000 1.347 700 I CB -1.043 37.114 38.000 0.262 0.000 1.044 700 I HN 0.236 nan 8.210 nan 0.000 0.408 701 A N 0.724 123.662 122.820 0.198 0.000 1.883 701 A HA -0.272 4.048 4.320 0.001 0.000 0.217 701 A C 2.449 180.083 177.584 0.083 0.000 1.186 701 A CA 2.087 54.236 52.037 0.187 0.000 0.624 701 A CB -0.693 18.442 19.000 0.224 0.000 0.822 701 A HN 0.370 nan 8.150 nan 0.000 0.444 702 R N -0.880 119.626 120.500 0.009 0.000 2.066 702 R HA -0.125 4.215 4.340 0.001 0.000 0.232 702 R C 2.175 178.451 176.300 -0.039 0.000 1.131 702 R CA 1.852 57.914 56.100 -0.063 0.000 0.955 702 R CB -0.652 29.518 30.300 -0.216 0.000 0.851 702 R HN 0.559 nan 8.270 nan 0.000 0.432 703 C N 0.437 119.681 119.300 -0.093 0.000 2.425 703 C HA -0.012 4.448 4.460 0.001 0.000 0.277 703 C C 2.127 177.113 174.990 -0.006 0.000 1.280 703 C CA 0.502 59.469 59.018 -0.084 0.000 1.744 703 C CB -0.649 26.908 27.740 -0.306 0.000 1.989 703 C HN 0.500 nan 8.230 nan 0.000 0.491 704 L N 0.317 121.556 121.223 0.027 0.000 2.640 704 L HA 0.200 4.540 4.340 0.001 0.000 0.230 704 L C 0.589 177.502 176.870 0.071 0.000 1.123 704 L CA 0.076 54.957 54.840 0.068 0.000 0.900 704 L CB -0.630 41.499 42.059 0.116 0.000 1.146 704 L HN 0.267 nan 8.230 nan 0.000 0.484 705 N N 1.805 120.540 118.700 0.059 0.000 2.714 705 N HA -0.202 4.539 4.740 0.001 0.000 0.253 705 N C -0.431 175.126 175.510 0.079 0.000 1.024 705 N CA 0.490 53.574 53.050 0.057 0.000 0.726 705 N CB -1.159 37.353 38.487 0.042 0.000 0.908 705 N HN 0.346 nan 8.380 nan 0.000 0.542 706 I N 0.309 120.946 120.570 0.112 0.000 2.371 706 I HA 0.139 4.309 4.170 0.001 0.000 0.290 706 I C 0.616 176.823 176.117 0.151 0.000 1.028 706 I CA -0.590 60.790 61.300 0.133 0.000 1.345 706 I CB 0.703 38.813 38.000 0.183 0.000 1.407 706 I HN 0.050 nan 8.210 nan 0.000 0.501 707 D N 5.766 126.243 120.400 0.129 0.000 2.302 707 D HA 0.059 4.700 4.640 0.001 0.000 0.248 707 D C -0.540 175.892 176.300 0.220 0.000 1.094 707 D CA -0.200 53.895 54.000 0.158 0.000 0.897 707 D CB 1.291 42.156 40.800 0.109 0.000 1.200 707 D HN 0.413 nan 8.370 nan 0.000 0.429 708 W N 3.785 125.127 121.300 0.069 0.000 2.238 708 W HA 0.297 4.957 4.660 0.001 0.000 0.321 708 W C -0.943 175.625 176.519 0.082 0.000 1.293 708 W CA -0.442 56.955 57.345 0.087 0.000 1.204 708 W CB 0.455 29.962 29.460 0.079 0.000 1.167 708 W HN 0.263 nan 8.180 nan 0.000 0.553 709 I N 9.216 129.541 120.570 -0.409 0.000 2.330 709 I HA 0.157 4.328 4.170 0.001 0.000 0.286 709 I C -1.796 174.075 176.117 -0.410 0.000 1.025 709 I CA -2.112 59.012 61.300 -0.294 0.000 1.197 709 I CB 1.039 38.887 38.000 -0.254 0.000 1.358 709 I HN 0.093 nan 8.210 nan 0.000 0.467 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.189 63.100 0.148 0.000 0.800 710 P CB 0.000 31.823 31.700 0.205 0.000 0.726