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 1uoq_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 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.639 32.600 0.064 0.000 1.302 2 L N 3.467 124.608 121.223 -0.137 0.000 2.353 2 L HA 0.375 4.715 4.340 0.001 0.000 0.269 2 L C 0.808 177.369 176.870 -0.514 0.000 1.085 2 L CA -0.417 54.151 54.840 -0.454 0.000 0.938 2 L CB 0.899 42.514 42.059 -0.739 0.000 1.312 2 L HN 0.291 nan 8.230 nan 0.000 0.429 3 S N 1.221 116.767 115.700 -0.257 0.000 2.840 3 S HA 0.198 4.668 4.470 0.001 0.000 0.235 3 S C -0.005 174.582 174.600 -0.021 0.000 0.968 3 S CA -0.449 57.697 58.200 -0.089 0.000 1.026 3 S CB -0.847 62.389 63.200 0.060 0.000 0.788 3 S HN 0.476 nan 8.310 nan 0.000 0.487 4 F N -1.263 118.647 119.950 -0.067 0.000 2.692 4 F HA 0.841 5.369 4.527 0.001 0.000 0.320 4 F C -0.842 174.842 175.800 -0.192 0.000 1.123 4 F CA -1.754 56.183 58.000 -0.105 0.000 0.961 4 F CB 1.038 39.979 39.000 -0.099 0.000 1.383 4 F HN -0.079 nan 8.300 nan 0.000 0.483 5 Q N 0.534 120.427 119.800 0.155 0.000 2.353 5 Q HA 0.459 4.799 4.340 0.001 0.000 0.268 5 Q C -1.810 174.262 176.000 0.119 0.000 1.045 5 Q CA -0.686 55.139 55.803 0.037 0.000 0.811 5 Q CB 1.366 30.131 28.738 0.045 0.000 1.305 5 Q HN 0.580 nan 8.270 nan 0.000 0.447 6 Y N 3.663 124.095 120.300 0.219 0.000 2.497 6 Y HA 0.186 4.737 4.550 0.001 0.000 0.334 6 Y C -1.658 174.288 175.900 0.076 0.000 1.199 6 Y CA -1.567 56.610 58.100 0.128 0.000 1.425 6 Y CB -0.075 38.443 38.460 0.096 0.000 1.291 6 Y HN 0.546 nan 8.280 nan 0.000 0.562 7 P HA 0.014 nan 4.420 nan 0.000 0.272 7 P C -0.798 176.611 177.300 0.182 0.000 1.223 7 P CA -0.278 62.902 63.100 0.133 0.000 0.784 7 P CB 0.865 32.593 31.700 0.046 0.000 0.923 8 D N 0.630 121.140 120.400 0.182 0.000 2.348 8 D HA 0.251 4.891 4.640 0.001 0.000 0.253 8 D C -0.335 176.131 176.300 0.276 0.000 1.161 8 D CA 0.182 54.312 54.000 0.216 0.000 0.876 8 D CB 0.894 41.801 40.800 0.177 0.000 1.160 8 D HN -0.012 nan 8.370 nan 0.000 0.459 9 V N 3.659 123.779 119.914 0.342 0.000 2.525 9 V HA 0.075 4.195 4.120 0.001 0.000 0.299 9 V C -0.466 175.953 176.094 0.541 0.000 1.034 9 V CA -1.060 61.538 62.300 0.497 0.000 0.863 9 V CB 1.507 33.607 31.823 0.461 0.000 0.999 9 V HN 0.416 nan 8.190 nan 0.000 0.423 10 Y N 5.593 126.153 120.300 0.433 0.000 2.620 10 Y HA 0.278 4.828 4.550 0.001 0.000 0.330 10 Y C 0.710 176.872 175.900 0.438 0.000 1.186 10 Y CA 0.030 58.282 58.100 0.252 0.000 1.467 10 Y CB 0.442 38.846 38.460 -0.094 0.000 1.262 10 Y HN 0.555 nan 8.280 nan 0.000 0.550 11 R N 4.647 124.832 120.500 -0.525 0.000 2.255 11 R HA 0.136 4.476 4.340 0.001 0.000 0.326 11 R C -1.077 174.705 176.300 -0.864 0.000 0.986 11 R CA -0.812 54.916 56.100 -0.621 0.000 0.847 11 R CB 0.644 30.582 30.300 -0.604 0.000 1.111 11 R HN 0.600 nan 8.270 nan 0.000 0.452 12 D N 3.260 123.420 120.400 -0.399 0.000 2.483 12 D HA 0.003 4.644 4.640 0.001 0.000 0.220 12 D C 0.395 176.599 176.300 -0.160 0.000 1.173 12 D CA -0.079 53.829 54.000 -0.154 0.000 0.964 12 D CB 0.733 41.641 40.800 0.180 0.000 1.046 12 D HN 0.411 nan 8.370 nan 0.000 0.517 13 E N 1.468 121.556 120.200 -0.187 0.000 2.516 13 E HA -0.088 4.262 4.350 0.001 0.000 0.199 13 E C 1.469 178.031 176.600 -0.063 0.000 1.069 13 E CA 0.564 56.884 56.400 -0.135 0.000 0.876 13 E CB -0.043 29.582 29.700 -0.124 0.000 0.843 13 E HN 0.602 nan 8.360 nan 0.000 0.530 14 T N -2.268 112.267 114.554 -0.030 0.000 3.081 14 T HA 0.266 4.616 4.350 0.001 0.000 0.250 14 T C 1.101 175.800 174.700 -0.003 0.000 1.100 14 T CA 0.154 62.249 62.100 -0.008 0.000 1.038 14 T CB 0.180 69.055 68.868 0.012 0.000 0.962 14 T HN 0.052 nan 8.240 nan 0.000 0.516 15 A N 1.969 124.786 122.820 -0.004 0.000 2.797 15 A HA 0.613 4.933 4.320 0.001 0.000 0.296 15 A C -0.067 177.522 177.584 0.009 0.000 1.580 15 A CA -0.485 51.557 52.037 0.009 0.000 1.277 15 A CB -0.984 18.027 19.000 0.019 0.000 1.101 15 A HN 0.679 nan 8.150 nan 0.000 0.562 16 I N 1.441 122.016 120.570 0.009 0.000 2.466 16 I HA 0.335 4.506 4.170 0.001 0.000 0.289 16 I C -0.126 175.992 176.117 0.002 0.000 1.026 16 I CA -0.331 60.980 61.300 0.019 0.000 1.078 16 I CB 2.043 40.047 38.000 0.007 0.000 1.249 16 I HN 0.685 nan 8.210 nan 0.000 0.429 17 Q N 4.394 124.209 119.800 0.026 0.000 2.353 17 Q HA 0.319 4.659 4.340 0.001 0.000 0.268 17 Q C -1.360 174.602 176.000 -0.064 0.000 1.045 17 Q CA -0.785 54.976 55.803 -0.070 0.000 0.811 17 Q CB 2.429 31.088 28.738 -0.132 0.000 1.305 17 Q HN 0.611 nan 8.270 nan 0.000 0.447 18 D N 2.324 122.615 120.400 -0.181 0.000 2.316 18 D HA 0.157 4.797 4.640 0.001 0.000 0.245 18 D C -1.604 174.464 176.300 -0.385 0.000 1.171 18 D CA -0.010 53.888 54.000 -0.172 0.000 0.856 18 D CB 0.407 41.112 40.800 -0.158 0.000 1.090 18 D HN 0.362 nan 8.370 nan 0.000 0.476 19 Y N 4.139 124.177 120.300 -0.436 0.000 2.491 19 Y HA 0.241 4.791 4.550 0.001 0.000 0.334 19 Y C 0.203 175.623 175.900 -0.801 0.000 0.969 19 Y CA -0.639 56.956 58.100 -0.842 0.000 1.241 19 Y CB 0.393 38.115 38.460 -1.230 0.000 1.105 19 Y HN 0.531 nan 8.280 nan 0.000 0.503 20 H N 1.816 120.729 119.070 -0.260 0.000 2.791 20 H HA -0.217 4.339 4.556 0.001 0.000 0.302 20 H C 1.472 176.732 175.328 -0.114 0.000 1.198 20 H CA 1.014 56.951 56.048 -0.185 0.000 1.145 20 H CB -1.457 28.183 29.762 -0.202 0.000 1.385 20 H HN 1.076 nan 8.280 nan 0.000 0.409 21 G N -0.642 108.122 108.800 -0.061 0.000 2.213 21 G HA2 -0.316 3.645 3.960 0.001 0.000 0.236 21 G HA3 -0.316 3.645 3.960 0.001 0.000 0.236 21 G C 0.023 174.947 174.900 0.040 0.000 0.991 21 G CA 0.567 45.663 45.100 -0.006 0.000 0.629 21 G HN 0.914 nan 8.290 nan 0.000 0.517 22 H N 1.543 120.567 119.070 -0.076 0.000 2.552 22 H HA 0.616 5.173 4.556 0.001 0.000 0.311 22 H C 0.055 175.387 175.328 0.008 0.000 1.071 22 H CA -0.799 55.249 56.048 -0.000 0.000 1.307 22 H CB 0.522 30.338 29.762 0.089 0.000 1.416 22 H HN -0.041 nan 8.280 nan 0.000 0.464 23 K N 4.994 125.471 120.400 0.129 0.000 2.258 23 K HA 0.225 4.545 4.320 0.001 0.000 0.284 23 K C -0.935 175.818 176.600 0.255 0.000 1.051 23 K CA -0.626 55.742 56.287 0.136 0.000 0.923 23 K CB 1.949 34.472 32.500 0.038 0.000 1.046 23 K HN 0.297 nan 8.250 nan 0.000 0.474 24 V N 3.623 123.702 119.914 0.275 0.000 2.409 24 V HA 0.169 4.289 4.120 0.001 0.000 0.291 24 V C -0.046 176.162 176.094 0.190 0.000 1.020 24 V CA -0.946 61.519 62.300 0.275 0.000 0.848 24 V CB 1.568 33.555 31.823 0.273 0.000 0.990 24 V HN 0.831 nan 8.190 nan 0.000 0.430 25 C N 3.339 122.726 119.300 0.144 0.000 2.452 25 C HA 0.467 4.928 4.460 0.001 0.000 0.379 25 C C 0.556 175.589 174.990 0.071 0.000 1.275 25 C CA -0.286 58.775 59.018 0.073 0.000 2.056 25 C CB 0.408 28.160 27.740 0.020 0.000 2.506 25 C HN 0.911 nan 8.230 nan 0.000 0.560 26 D N 2.208 122.620 120.400 0.020 0.000 2.613 26 D HA 0.265 4.906 4.640 0.001 0.000 0.312 26 D C -1.413 174.809 176.300 -0.131 0.000 1.202 26 D CA -1.218 52.779 54.000 -0.005 0.000 0.825 26 D CB 0.619 41.464 40.800 0.075 0.000 1.113 26 D HN 0.292 nan 8.370 nan 0.000 0.502 27 P HA -0.090 nan 4.420 nan 0.000 0.226 27 P C 0.339 177.298 177.300 -0.568 0.000 1.153 27 P CA 0.626 63.438 63.100 -0.481 0.000 0.777 27 P CB 0.054 31.288 31.700 -0.776 0.000 0.794 28 Y N -0.871 119.304 120.300 -0.208 0.000 2.625 28 Y HA 0.481 5.031 4.550 0.001 0.000 0.285 28 Y C 2.276 177.831 175.900 -0.574 0.000 1.168 28 Y CA -0.600 57.167 58.100 -0.555 0.000 1.250 28 Y CB -1.089 37.018 38.460 -0.589 0.000 1.130 28 Y HN -0.071 nan 8.280 nan 0.000 0.526 29 A N 1.301 124.023 122.820 -0.164 0.000 1.986 29 A HA -0.209 4.112 4.320 0.001 0.000 0.220 29 A C 1.928 179.482 177.584 -0.049 0.000 1.171 29 A CA 1.812 53.807 52.037 -0.070 0.000 0.640 29 A CB -1.107 17.913 19.000 0.034 0.000 0.811 29 A HN 0.822 nan 8.150 nan 0.000 0.451 30 W N -0.411 120.893 121.300 0.006 0.000 2.421 30 W HA -0.045 4.616 4.660 0.001 0.000 0.270 30 W C 1.002 177.491 176.519 -0.050 0.000 1.233 30 W CA 0.686 58.029 57.345 -0.003 0.000 1.226 30 W CB -1.086 28.396 29.460 0.037 0.000 1.121 30 W HN 0.248 nan 8.180 nan 0.000 0.579 31 L N 1.236 122.134 121.223 -0.541 0.000 2.549 31 L HA -0.101 4.240 4.340 0.001 0.000 0.229 31 L C 2.251 178.951 176.870 -0.283 0.000 1.158 31 L CA 1.102 55.624 54.840 -0.530 0.000 0.842 31 L CB -0.607 40.904 42.059 -0.915 0.000 0.952 31 L HN 0.005 nan 8.230 nan 0.000 0.452 32 E N -0.453 119.625 120.200 -0.203 0.000 2.268 32 E HA -0.162 4.188 4.350 0.001 0.000 0.195 32 E C 0.540 177.063 176.600 -0.129 0.000 0.995 32 E CA 0.425 56.703 56.400 -0.204 0.000 0.836 32 E CB 0.070 29.701 29.700 -0.115 0.000 0.763 32 E HN 0.241 nan 8.360 nan 0.000 0.491 33 D N 0.472 120.850 120.400 -0.037 0.000 2.411 33 D HA 0.024 4.665 4.640 0.001 0.000 0.225 33 D C -1.635 174.666 176.300 0.003 0.000 1.156 33 D CA -2.420 51.584 54.000 0.007 0.000 0.874 33 D CB 1.087 41.925 40.800 0.063 0.000 1.034 33 D HN -0.063 nan 8.370 nan 0.000 0.502 34 P HA -0.025 nan 4.420 nan 0.000 0.229 34 P C 0.254 177.557 177.300 0.003 0.000 1.160 34 P CA 0.533 63.620 63.100 -0.021 0.000 0.777 34 P CB 0.710 32.382 31.700 -0.047 0.000 0.814 35 D N -0.326 120.081 120.400 0.012 0.000 2.367 35 D HA -0.000 4.640 4.640 0.001 0.000 0.207 35 D C 0.928 177.247 176.300 0.032 0.000 1.034 35 D CA 0.408 54.418 54.000 0.017 0.000 0.861 35 D CB -0.007 40.799 40.800 0.011 0.000 0.943 35 D HN 0.238 nan 8.370 nan 0.000 0.515 36 S N 0.915 116.645 115.700 0.051 0.000 2.572 36 S HA 0.050 4.520 4.470 0.001 0.000 0.279 36 S C 1.319 175.959 174.600 0.066 0.000 1.341 36 S CA -0.465 57.770 58.200 0.058 0.000 1.043 36 S CB 1.830 65.080 63.200 0.083 0.000 0.887 36 S HN -0.105 nan 8.310 nan 0.000 0.516 37 E N 2.178 122.403 120.200 0.042 0.000 2.097 37 E HA -0.211 4.139 4.350 0.001 0.000 0.196 37 E C 2.014 178.656 176.600 0.071 0.000 1.000 37 E CA 1.676 58.102 56.400 0.042 0.000 0.804 37 E CB -0.542 29.166 29.700 0.012 0.000 0.740 37 E HN 0.814 nan 8.360 nan 0.000 0.454 38 Q N 0.010 119.848 119.800 0.062 0.000 2.050 38 Q HA -0.091 4.250 4.340 0.001 0.000 0.202 38 Q C 2.309 178.513 176.000 0.340 0.000 0.980 38 Q CA 2.009 57.865 55.803 0.088 0.000 0.840 38 Q CB -0.759 27.906 28.738 -0.122 0.000 0.898 38 Q HN 0.207 nan 8.270 nan 0.000 0.424 39 T N 0.895 115.653 114.554 0.340 0.000 2.708 39 T HA -0.123 4.227 4.350 0.001 0.000 0.266 39 T C 1.543 176.395 174.700 0.253 0.000 1.037 39 T CA 1.398 63.683 62.100 0.308 0.000 1.146 39 T CB -0.167 68.796 68.868 0.158 0.000 0.865 39 T HN 0.237 nan 8.240 nan 0.000 0.435 40 K N 1.337 121.837 120.400 0.167 0.000 2.074 40 K HA -0.061 4.260 4.320 0.001 0.000 0.209 40 K C 2.629 179.316 176.600 0.146 0.000 1.048 40 K CA 1.347 57.711 56.287 0.128 0.000 0.926 40 K CB -0.323 32.225 32.500 0.081 0.000 0.713 40 K HN 0.293 nan 8.250 nan 0.000 0.444 41 A N 1.135 124.054 122.820 0.166 0.000 1.930 41 A HA -0.164 4.157 4.320 0.001 0.000 0.217 41 A C 2.001 179.701 177.584 0.194 0.000 1.175 41 A CA 1.115 53.240 52.037 0.148 0.000 0.627 41 A CB -0.644 18.431 19.000 0.125 0.000 0.815 41 A HN 0.385 nan 8.150 nan 0.000 0.443 42 F N 0.735 120.768 119.950 0.138 0.000 2.102 42 F HA -0.153 4.375 4.527 0.001 0.000 0.298 42 F C 2.173 178.001 175.800 0.047 0.000 1.105 42 F CA 2.011 60.087 58.000 0.127 0.000 1.239 42 F CB -0.383 38.729 39.000 0.186 0.000 0.991 42 F HN 0.022 nan 8.300 nan 0.000 0.474 43 V N 0.990 121.044 119.914 0.233 0.000 2.287 43 V HA -0.294 3.826 4.120 0.001 0.000 0.248 43 V C 2.473 178.534 176.094 -0.054 0.000 1.053 43 V CA 2.307 64.641 62.300 0.058 0.000 1.027 43 V CB -0.716 31.172 31.823 0.108 0.000 0.646 43 V HN 0.359 nan 8.190 nan 0.000 0.447 44 E N 0.209 120.407 120.200 -0.003 0.000 2.077 44 E HA -0.220 4.130 4.350 0.001 0.000 0.193 44 E C 2.369 178.938 176.600 -0.051 0.000 0.989 44 E CA 1.536 57.928 56.400 -0.014 0.000 0.800 44 E CB -0.422 29.288 29.700 0.017 0.000 0.746 44 E HN 0.592 nan 8.360 nan 0.000 0.452 45 A N 1.469 124.243 122.820 -0.076 0.000 1.933 45 A HA -0.210 4.111 4.320 0.001 0.000 0.218 45 A C 2.144 179.620 177.584 -0.180 0.000 1.175 45 A CA 1.248 53.222 52.037 -0.105 0.000 0.628 45 A CB -0.255 18.692 19.000 -0.088 0.000 0.814 45 A HN 0.112 nan 8.150 nan 0.000 0.444 46 Q N -0.027 119.592 119.800 -0.302 0.000 2.049 46 Q HA -0.108 4.233 4.340 0.001 0.000 0.198 46 Q C 1.797 177.695 176.000 -0.171 0.000 0.971 46 Q CA 1.344 56.962 55.803 -0.309 0.000 0.833 46 Q CB -0.634 27.828 28.738 -0.460 0.000 0.896 46 Q HN 0.638 nan 8.270 nan 0.000 0.434 47 N N 1.188 119.823 118.700 -0.108 0.000 2.192 47 N HA -0.158 4.583 4.740 0.001 0.000 0.188 47 N C 1.548 177.055 175.510 -0.005 0.000 1.013 47 N CA 0.965 54.013 53.050 -0.003 0.000 0.863 47 N CB -0.162 38.331 38.487 0.010 0.000 0.990 47 N HN 0.243 nan 8.380 nan 0.000 0.430 48 K N 0.682 121.058 120.400 -0.039 0.000 2.211 48 K HA -0.041 4.279 4.320 0.001 0.000 0.203 48 K C 1.898 178.466 176.600 -0.053 0.000 1.050 48 K CA 0.785 57.055 56.287 -0.028 0.000 0.945 48 K CB 0.064 32.549 32.500 -0.025 0.000 0.732 48 K HN 0.343 nan 8.250 nan 0.000 0.451 49 I N -3.657 116.835 120.570 -0.131 0.000 2.867 49 I HA -0.003 4.167 4.170 0.001 0.000 0.265 49 I C 1.744 177.711 176.117 -0.250 0.000 1.162 49 I CA 0.436 61.585 61.300 -0.251 0.000 1.471 49 I CB -0.328 37.358 38.000 -0.523 0.000 1.123 49 I HN -0.184 nan 8.210 nan 0.000 0.440 50 T N 1.858 116.305 114.554 -0.178 0.000 2.737 50 T HA -0.080 4.271 4.350 0.001 0.000 0.265 50 T C 2.123 176.846 174.700 0.038 0.000 1.038 50 T CA 1.894 63.948 62.100 -0.076 0.000 1.144 50 T CB -0.299 68.545 68.868 -0.041 0.000 0.866 50 T HN 0.190 nan 8.240 nan 0.000 0.434 51 V N 2.352 122.279 119.914 0.023 0.000 2.255 51 V HA -0.139 3.982 4.120 0.001 0.000 0.247 51 V C -0.462 175.654 176.094 0.036 0.000 1.051 51 V CA 1.891 64.196 62.300 0.009 0.000 1.018 51 V CB -1.607 30.227 31.823 0.018 0.000 0.641 51 V HN 0.385 nan 8.190 nan 0.000 0.445 52 P HA -0.159 nan 4.420 nan 0.000 0.217 52 P C 1.703 179.059 177.300 0.094 0.000 1.150 52 P CA 1.287 64.422 63.100 0.059 0.000 0.832 52 P CB -0.123 31.618 31.700 0.068 0.000 0.787 53 F N 0.266 120.229 119.950 0.021 0.000 2.095 53 F HA -0.202 4.326 4.527 0.001 0.000 0.298 53 F C 1.931 177.779 175.800 0.079 0.000 1.104 53 F CA 1.615 59.664 58.000 0.080 0.000 1.232 53 F CB -0.779 38.283 39.000 0.103 0.000 0.987 53 F HN -0.248 nan 8.300 nan 0.000 0.475 54 L N -0.289 121.046 121.223 0.185 0.000 2.093 54 L HA -0.166 4.174 4.340 0.001 0.000 0.208 54 L C 2.136 178.987 176.870 -0.031 0.000 1.085 54 L CA 1.522 56.420 54.840 0.096 0.000 0.755 54 L CB -0.654 41.456 42.059 0.085 0.000 0.904 54 L HN 0.172 nan 8.230 nan 0.000 0.435 55 E N -0.472 119.709 120.200 -0.032 0.000 2.435 55 E HA -0.192 4.159 4.350 0.001 0.000 0.195 55 E C 1.956 178.517 176.600 -0.064 0.000 1.029 55 E CA 0.174 56.548 56.400 -0.043 0.000 0.865 55 E CB 0.164 29.849 29.700 -0.026 0.000 0.833 55 E HN 0.470 nan 8.360 nan 0.000 0.510 56 Q N 0.317 120.058 119.800 -0.098 0.000 2.230 56 Q HA -0.077 4.264 4.340 0.001 0.000 0.202 56 Q C 0.564 176.499 176.000 -0.108 0.000 0.963 56 Q CA 0.597 56.341 55.803 -0.098 0.000 0.866 56 Q CB 0.209 28.875 28.738 -0.119 0.000 0.931 56 Q HN 0.151 nan 8.270 nan 0.000 0.452 57 C N 1.921 121.141 119.300 -0.134 0.000 2.415 57 C HA 0.336 4.797 4.460 0.001 0.000 0.369 57 C C -1.353 173.585 174.990 -0.087 0.000 1.279 57 C CA -2.060 56.893 59.018 -0.108 0.000 1.886 57 C CB 0.864 28.533 27.740 -0.118 0.000 2.468 57 C HN 0.452 nan 8.230 nan 0.000 0.553 58 P HA -0.144 nan 4.420 nan 0.000 0.220 58 P C 1.652 178.859 177.300 -0.155 0.000 1.144 58 P CA 1.043 64.081 63.100 -0.103 0.000 0.800 58 P CB -0.167 31.480 31.700 -0.089 0.000 0.772 59 I N 0.279 120.772 120.570 -0.129 0.000 2.264 59 I HA -0.249 3.921 4.170 0.001 0.000 0.248 59 I C 2.281 178.303 176.117 -0.159 0.000 1.111 59 I CA 1.673 62.871 61.300 -0.169 0.000 1.382 59 I CB -0.575 37.424 38.000 -0.002 0.000 1.060 59 I HN -0.061 nan 8.210 nan 0.000 0.418 60 R N 0.420 120.877 120.500 -0.071 0.000 2.117 60 R HA -0.174 4.166 4.340 0.001 0.000 0.243 60 R C 2.268 178.543 176.300 -0.043 0.000 1.143 60 R CA 1.856 57.943 56.100 -0.022 0.000 0.968 60 R CB -0.563 29.723 30.300 -0.023 0.000 0.863 60 R HN 0.492 nan 8.270 nan 0.000 0.444 61 G N 0.388 109.123 108.800 -0.109 0.000 2.403 61 G HA2 -0.157 3.803 3.960 0.001 0.000 0.216 61 G HA3 -0.157 3.803 3.960 0.001 0.000 0.216 61 G C 1.434 176.218 174.900 -0.194 0.000 1.154 61 G CA 0.294 45.328 45.100 -0.111 0.000 0.784 61 G HN 0.220 nan 8.290 nan 0.000 0.538 62 L N -0.952 120.042 121.223 -0.380 0.000 2.046 62 L HA -0.061 4.280 4.340 0.001 0.000 0.208 62 L C 2.552 179.018 176.870 -0.672 0.000 1.077 62 L CA 1.142 55.572 54.840 -0.683 0.000 0.747 62 L CB -0.439 40.811 42.059 -1.347 0.000 0.896 62 L HN 0.271 nan 8.230 nan 0.000 0.432 63 Y N 0.986 120.921 120.300 -0.608 0.000 2.163 63 Y HA -0.289 4.262 4.550 0.001 0.000 0.288 63 Y C 2.725 178.602 175.900 -0.039 0.000 1.136 63 Y CA 1.872 59.868 58.100 -0.173 0.000 1.147 63 Y CB -0.099 38.381 38.460 0.033 0.000 0.987 63 Y HN 0.007 nan 8.280 nan 0.000 0.509 64 K N 0.372 120.863 120.400 0.152 0.000 2.057 64 K HA -0.264 4.057 4.320 0.001 0.000 0.207 64 K C 2.209 178.807 176.600 -0.004 0.000 1.049 64 K CA 1.875 58.224 56.287 0.102 0.000 0.931 64 K CB -0.303 32.243 32.500 0.077 0.000 0.714 64 K HN 0.512 nan 8.250 nan 0.000 0.440 65 E N 0.029 120.196 120.200 -0.054 0.000 2.077 65 E HA -0.236 4.114 4.350 0.001 0.000 0.193 65 E C 2.111 178.687 176.600 -0.041 0.000 0.989 65 E CA 1.002 57.375 56.400 -0.046 0.000 0.800 65 E CB 0.041 29.701 29.700 -0.067 0.000 0.746 65 E HN 0.087 nan 8.360 nan 0.000 0.452 66 R N 0.197 120.650 120.500 -0.079 0.000 2.090 66 R HA -0.071 4.270 4.340 0.001 0.000 0.228 66 R C 2.169 178.419 176.300 -0.083 0.000 1.110 66 R CA 1.499 57.559 56.100 -0.066 0.000 0.973 66 R CB -0.462 29.806 30.300 -0.054 0.000 0.869 66 R HN 0.262 nan 8.270 nan 0.000 0.440 67 M N -0.443 119.059 119.600 -0.163 0.000 2.117 67 M HA -0.090 4.390 4.480 0.001 0.000 0.262 67 M C 1.640 177.972 176.300 0.052 0.000 1.065 67 M CA 1.980 57.218 55.300 -0.103 0.000 1.114 67 M CB -0.549 31.985 32.600 -0.109 0.000 1.361 67 M HN 0.103 nan 8.290 nan 0.000 0.408 68 T N 0.601 115.185 114.554 0.050 0.000 2.720 68 T HA -0.161 4.189 4.350 0.001 0.000 0.268 68 T C 1.594 176.348 174.700 0.091 0.000 1.037 68 T CA 1.962 64.113 62.100 0.085 0.000 1.144 68 T CB -0.363 68.536 68.868 0.051 0.000 0.864 68 T HN 0.554 nan 8.240 nan 0.000 0.444 69 E N 0.776 121.016 120.200 0.067 0.000 2.031 69 E HA -0.017 4.334 4.350 0.001 0.000 0.193 69 E C 2.178 178.851 176.600 0.122 0.000 0.994 69 E CA 0.933 57.378 56.400 0.076 0.000 0.800 69 E CB -0.220 29.514 29.700 0.057 0.000 0.752 69 E HN 0.391 nan 8.360 nan 0.000 0.447 70 L N -0.385 120.922 121.223 0.140 0.000 2.341 70 L HA -0.046 4.294 4.340 0.001 0.000 0.214 70 L C 2.093 179.186 176.870 0.371 0.000 1.115 70 L CA 0.356 55.318 54.840 0.203 0.000 0.820 70 L CB -0.047 42.097 42.059 0.142 0.000 0.944 70 L HN 0.173 nan 8.230 nan 0.000 0.452 71 Y N 0.490 120.884 120.300 0.157 0.000 2.544 71 Y HA -0.042 4.508 4.550 0.001 0.000 0.286 71 Y C 1.030 176.938 175.900 0.012 0.000 1.141 71 Y CA -0.012 58.178 58.100 0.151 0.000 1.299 71 Y CB -0.127 38.360 38.460 0.044 0.000 1.030 71 Y HN 0.060 nan 8.280 nan 0.000 0.543 72 D N 1.150 121.602 120.400 0.086 0.000 2.551 72 D HA 0.060 4.700 4.640 0.001 0.000 0.223 72 D C -1.203 175.107 176.300 0.016 0.000 1.144 72 D CA 0.102 54.074 54.000 -0.047 0.000 1.025 72 D CB -1.155 39.660 40.800 0.025 0.000 1.085 72 D HN 0.320 nan 8.370 nan 0.000 0.506 73 Y N -0.512 119.731 120.300 -0.094 0.000 2.553 73 Y HA 0.724 5.275 4.550 0.001 0.000 0.347 73 Y C -2.940 172.906 175.900 -0.089 0.000 1.019 73 Y CA -3.288 54.785 58.100 -0.046 0.000 1.032 73 Y CB 0.620 39.085 38.460 0.009 0.000 1.284 73 Y HN -0.091 nan 8.280 nan 0.000 0.466 74 P HA 0.247 nan 4.420 nan 0.000 0.271 74 P C -1.395 175.915 177.300 0.017 0.000 1.220 74 P CA -0.206 62.885 63.100 -0.015 0.000 0.768 74 P CB 0.692 32.537 31.700 0.242 0.000 0.848 75 K N 2.740 123.003 120.400 -0.229 0.000 2.345 75 K HA 0.561 4.882 4.320 0.001 0.000 0.255 75 K C -1.039 175.545 176.600 -0.026 0.000 0.934 75 K CA -0.444 55.810 56.287 -0.055 0.000 0.801 75 K CB 1.538 33.917 32.500 -0.201 0.000 1.137 75 K HN 0.364 nan 8.250 nan 0.000 0.424 76 Y N -0.124 120.311 120.300 0.225 0.000 2.512 76 Y HA 0.312 4.862 4.550 0.001 0.000 0.348 76 Y C 0.407 176.476 175.900 0.281 0.000 0.990 76 Y CA -0.840 57.441 58.100 0.303 0.000 1.033 76 Y CB 2.230 40.822 38.460 0.221 0.000 1.259 76 Y HN 0.657 nan 8.280 nan 0.000 0.461 77 S N 0.139 116.162 115.700 0.539 0.000 2.669 77 S HA 0.421 4.892 4.470 0.001 0.000 0.270 77 S C -0.112 174.725 174.600 0.395 0.000 1.225 77 S CA -0.828 57.649 58.200 0.462 0.000 0.991 77 S CB 0.691 64.255 63.200 0.607 0.000 0.987 77 S HN 0.728 nan 8.310 nan 0.000 0.552 78 C N 2.127 121.617 119.300 0.318 0.000 2.641 78 C HA 0.162 4.623 4.460 0.001 0.000 0.412 78 C C 0.953 176.033 174.990 0.150 0.000 1.312 78 C CA 0.142 59.273 59.018 0.188 0.000 1.838 78 C CB -1.553 26.321 27.740 0.223 0.000 2.682 78 C HN 0.864 nan 8.230 nan 0.000 0.627 79 H N 1.321 120.071 119.070 -0.534 0.000 2.771 79 H HA 0.466 5.023 4.556 0.001 0.000 0.364 79 H C -0.133 175.051 175.328 -0.240 0.000 1.133 79 H CA 0.756 56.456 56.048 -0.581 0.000 1.423 79 H CB 0.239 29.202 29.762 -1.333 0.000 1.425 79 H HN 0.552 nan 8.280 nan 0.000 0.606 80 F N -1.155 118.808 119.950 0.020 0.000 2.608 80 F HA 0.465 4.992 4.527 0.001 0.000 0.309 80 F C -0.816 175.010 175.800 0.044 0.000 1.103 80 F CA -1.374 56.671 58.000 0.075 0.000 0.954 80 F CB 1.182 40.228 39.000 0.077 0.000 1.267 80 F HN 0.276 nan 8.300 nan 0.000 0.444 81 K N 2.457 122.885 120.400 0.046 0.000 2.156 81 K HA 0.582 4.902 4.320 0.001 0.000 0.271 81 K C -1.175 175.339 176.600 -0.142 0.000 0.995 81 K CA -0.666 55.426 56.287 -0.324 0.000 0.890 81 K CB 0.917 33.118 32.500 -0.498 0.000 1.073 81 K HN 0.639 nan 8.250 nan 0.000 0.454 82 K N 2.830 123.098 120.400 -0.220 0.000 2.637 82 K HA 0.277 4.597 4.320 0.001 0.000 0.248 82 K C -0.010 176.498 176.600 -0.153 0.000 0.971 82 K CA -0.046 56.107 56.287 -0.223 0.000 0.858 82 K CB 1.385 33.484 32.500 -0.669 0.000 1.170 82 K HN 0.941 nan 8.250 nan 0.000 0.443 83 G N 3.730 112.464 108.800 -0.110 0.000 2.591 83 G HA2 -0.396 3.564 3.960 0.001 0.000 0.298 83 G HA3 -0.396 3.564 3.960 0.001 0.000 0.298 83 G C 0.343 175.167 174.900 -0.127 0.000 1.195 83 G CA 0.363 45.414 45.100 -0.083 0.000 0.989 83 G HN 0.567 nan 8.290 nan 0.000 0.551 84 K N 1.138 121.467 120.400 -0.118 0.000 2.417 84 K HA 0.289 4.610 4.320 0.001 0.000 0.196 84 K C 0.996 177.475 176.600 -0.202 0.000 1.023 84 K CA 0.282 56.490 56.287 -0.132 0.000 1.122 84 K CB 0.388 32.839 32.500 -0.082 0.000 0.850 84 K HN 0.378 nan 8.250 nan 0.000 0.521 85 R N -0.246 120.073 120.500 -0.302 0.000 2.771 85 R HA 0.363 4.704 4.340 0.001 0.000 0.274 85 R C -1.295 174.635 176.300 -0.617 0.000 0.987 85 R CA -0.851 54.991 56.100 -0.429 0.000 0.908 85 R CB 1.328 31.283 30.300 -0.576 0.000 1.213 85 R HN -0.074 nan 8.270 nan 0.000 0.468 86 Y N 0.689 120.649 120.300 -0.568 0.000 2.420 86 Y HA 0.490 5.041 4.550 0.001 0.000 0.334 86 Y C -0.355 174.916 175.900 -1.048 0.000 1.094 86 Y CA -0.266 57.507 58.100 -0.546 0.000 1.126 86 Y CB 1.199 39.526 38.460 -0.222 0.000 1.217 86 Y HN 0.349 nan 8.280 nan 0.000 0.462 87 F N 1.676 121.176 119.950 -0.750 0.000 2.577 87 F HA 0.610 5.137 4.527 0.001 0.000 0.318 87 F C -0.949 174.222 175.800 -1.049 0.000 1.065 87 F CA -1.337 56.022 58.000 -1.069 0.000 0.929 87 F CB 1.801 39.875 39.000 -1.544 0.000 1.237 87 F HN 0.402 nan 8.300 nan 0.000 0.468 88 Y N -0.985 118.938 120.300 -0.628 0.000 2.592 88 Y HA 0.713 5.264 4.550 0.001 0.000 0.334 88 Y C -2.015 173.787 175.900 -0.163 0.000 1.136 88 Y CA -2.316 55.580 58.100 -0.341 0.000 1.042 88 Y CB 0.714 38.876 38.460 -0.496 0.000 1.325 88 Y HN 0.386 nan 8.280 nan 0.000 0.457 89 F N 2.299 122.465 119.950 0.359 0.000 2.377 89 F HA 0.603 5.130 4.527 0.001 0.000 0.328 89 F C -0.484 175.586 175.800 0.450 0.000 1.094 89 F CA -0.428 57.763 58.000 0.318 0.000 1.093 89 F CB 1.307 40.461 39.000 0.257 0.000 1.214 89 F HN 0.619 nan 8.300 nan 0.000 0.518 90 Y N 2.300 122.822 120.300 0.370 0.000 2.480 90 Y HA 0.379 4.930 4.550 0.001 0.000 0.329 90 Y C -1.854 174.073 175.900 0.045 0.000 1.127 90 Y CA -1.370 56.777 58.100 0.077 0.000 1.037 90 Y CB 1.404 39.843 38.460 -0.035 0.000 1.320 90 Y HN 0.610 nan 8.280 nan 0.000 0.446 91 N N 2.609 120.832 118.700 -0.794 0.000 2.352 91 N HA 0.190 4.930 4.740 0.001 0.000 0.291 91 N C 0.364 175.226 175.510 -1.080 0.000 1.040 91 N CA 0.288 52.903 53.050 -0.725 0.000 0.864 91 N CB 2.232 40.481 38.487 -0.397 0.000 1.440 91 N HN 0.876 nan 8.380 nan 0.000 0.483 92 T N 0.044 114.073 114.554 -0.876 0.000 2.962 92 T HA 0.159 4.509 4.350 0.001 0.000 0.270 92 T C 1.136 175.621 174.700 -0.357 0.000 1.088 92 T CA 1.496 63.247 62.100 -0.581 0.000 1.127 92 T CB 0.165 68.895 68.868 -0.230 0.000 0.883 92 T HN 0.649 nan 8.240 nan 0.000 0.493 93 G N 0.834 109.407 108.800 -0.379 0.000 4.366 93 G HA2 0.056 4.016 3.960 0.001 0.000 0.194 93 G HA3 0.056 4.016 3.960 0.001 0.000 0.194 93 G C 0.618 175.287 174.900 -0.385 0.000 1.275 93 G CA -0.073 44.786 45.100 -0.401 0.000 0.847 93 G HN 0.416 nan 8.290 nan 0.000 0.299 94 L N 2.088 123.179 121.223 -0.221 0.000 2.769 94 L HA 0.366 4.706 4.340 0.001 0.000 0.240 94 L C 0.763 177.577 176.870 -0.094 0.000 1.163 94 L CA -0.157 54.604 54.840 -0.131 0.000 0.962 94 L CB 0.424 42.456 42.059 -0.046 0.000 1.258 94 L HN 0.256 nan 8.230 nan 0.000 0.513 95 Q N 0.378 120.098 119.800 -0.133 0.000 2.395 95 Q HA 0.001 4.342 4.340 0.001 0.000 0.271 95 Q C 0.581 176.552 176.000 -0.049 0.000 1.026 95 Q CA -0.251 55.502 55.803 -0.084 0.000 0.900 95 Q CB 0.674 29.353 28.738 -0.098 0.000 1.266 95 Q HN 0.167 nan 8.270 nan 0.000 0.430 96 N N 0.790 119.480 118.700 -0.017 0.000 2.104 96 N HA -0.132 4.609 4.740 0.001 0.000 0.190 96 N C -0.103 175.410 175.510 0.005 0.000 1.024 96 N CA 1.366 54.420 53.050 0.006 0.000 0.853 96 N CB 0.272 38.765 38.487 0.011 0.000 1.008 96 N HN 0.508 nan 8.380 nan 0.000 0.424 97 Q N 0.260 120.058 119.800 -0.004 0.000 2.397 97 Q HA 0.260 4.600 4.340 0.001 0.000 0.275 97 Q C -0.292 175.711 176.000 0.006 0.000 1.090 97 Q CA -0.608 55.199 55.803 0.007 0.000 0.809 97 Q CB 2.721 31.473 28.738 0.023 0.000 1.362 97 Q HN 0.337 nan 8.270 nan 0.000 0.431 98 R N -0.512 120.006 120.500 0.030 0.000 2.641 98 R HA 0.538 4.878 4.340 0.001 0.000 0.269 98 R C -0.560 175.859 176.300 0.198 0.000 1.074 98 R CA -0.439 55.713 56.100 0.086 0.000 1.133 98 R CB 0.347 30.712 30.300 0.109 0.000 1.029 98 R HN 0.217 nan 8.270 nan 0.000 0.488 99 V N 3.317 123.362 119.914 0.219 0.000 2.483 99 V HA 0.206 4.326 4.120 0.001 0.000 0.295 99 V C -0.304 175.837 176.094 0.079 0.000 1.035 99 V CA -1.106 61.252 62.300 0.098 0.000 0.896 99 V CB 1.498 33.293 31.823 -0.048 0.000 0.986 99 V HN 0.595 nan 8.190 nan 0.000 0.447 100 L N 5.709 126.837 121.223 -0.159 0.000 2.290 100 L HA 0.470 4.811 4.340 0.001 0.000 0.284 100 L C -0.878 175.710 176.870 -0.470 0.000 1.078 100 L CA 0.358 54.902 54.840 -0.494 0.000 0.815 100 L CB 0.152 41.904 42.059 -0.512 0.000 1.162 100 L HN 0.530 nan 8.230 nan 0.000 0.435 101 Y N 3.297 123.236 120.300 -0.602 0.000 2.567 101 Y HA 0.712 5.263 4.550 0.001 0.000 0.333 101 Y C -0.255 175.242 175.900 -0.672 0.000 1.106 101 Y CA -0.460 57.258 58.100 -0.637 0.000 1.157 101 Y CB 2.123 39.929 38.460 -1.090 0.000 1.277 101 Y HN 0.393 nan 8.280 nan 0.000 0.490 102 V N 2.825 122.498 119.914 -0.402 0.000 2.841 102 V HA 0.576 4.697 4.120 0.001 0.000 0.310 102 V C -1.716 174.122 176.094 -0.426 0.000 1.090 102 V CA -0.385 61.492 62.300 -0.706 0.000 0.930 102 V CB 1.925 33.269 31.823 -0.797 0.000 1.014 102 V HN 0.883 nan 8.190 nan 0.000 0.425 103 Q N 3.032 122.571 119.800 -0.434 0.000 2.416 103 Q HA 0.520 4.860 4.340 0.001 0.000 0.281 103 Q C -1.024 174.869 176.000 -0.179 0.000 1.067 103 Q CA -0.886 54.798 55.803 -0.198 0.000 0.809 103 Q CB 2.217 30.927 28.738 -0.045 0.000 1.418 103 Q HN 0.546 nan 8.270 nan 0.000 0.411 104 D N 0.766 121.102 120.400 -0.107 0.000 2.317 104 D HA 0.012 4.652 4.640 0.001 0.000 0.211 104 D C 0.292 176.607 176.300 0.025 0.000 0.966 104 D CA 1.403 55.360 54.000 -0.072 0.000 0.876 104 D CB 0.502 41.264 40.800 -0.063 0.000 0.927 104 D HN 0.618 nan 8.370 nan 0.000 0.519 105 S N -1.519 114.212 115.700 0.052 0.000 2.636 105 S HA 0.175 4.645 4.470 0.001 0.000 0.266 105 S C 0.188 174.737 174.600 -0.084 0.000 1.147 105 S CA -0.706 57.543 58.200 0.082 0.000 0.815 105 S CB 0.668 63.890 63.200 0.036 0.000 1.119 105 S HN -0.178 nan 8.310 nan 0.000 0.470 106 L N 1.178 122.254 121.223 -0.245 0.000 2.201 106 L HA 0.256 4.596 4.340 0.001 0.000 0.212 106 L C 2.132 178.900 176.870 -0.170 0.000 1.105 106 L CA 1.818 56.460 54.840 -0.330 0.000 0.775 106 L CB -1.354 40.474 42.059 -0.385 0.000 0.913 106 L HN 0.861 nan 8.230 nan 0.000 0.440 107 E N -1.196 118.936 120.200 -0.114 0.000 2.479 107 E HA 0.141 4.491 4.350 0.001 0.000 0.193 107 E C 0.967 177.524 176.600 -0.072 0.000 1.049 107 E CA 0.024 56.369 56.400 -0.092 0.000 0.870 107 E CB 0.223 29.880 29.700 -0.071 0.000 0.944 107 E HN 0.388 nan 8.360 nan 0.000 0.492 108 G N 1.876 110.639 108.800 -0.061 0.000 2.476 108 G HA2 0.100 4.060 3.960 0.001 0.000 0.286 108 G HA3 0.100 4.060 3.960 0.001 0.000 0.286 108 G C -0.305 174.572 174.900 -0.040 0.000 1.177 108 G CA -0.558 44.515 45.100 -0.044 0.000 0.870 108 G HN 0.140 nan 8.290 nan 0.000 0.528 109 E N -0.041 120.139 120.200 -0.034 0.000 2.392 109 E HA 0.436 4.787 4.350 0.001 0.000 0.264 109 E C 0.073 176.666 176.600 -0.011 0.000 1.024 109 E CA -0.456 55.929 56.400 -0.025 0.000 0.903 109 E CB 0.956 30.643 29.700 -0.021 0.000 0.963 109 E HN 0.452 nan 8.360 nan 0.000 0.432 110 A N 4.362 127.191 122.820 0.015 0.000 2.310 110 A HA 0.486 4.807 4.320 0.001 0.000 0.299 110 A C -0.366 177.272 177.584 0.090 0.000 1.147 110 A CA -0.796 51.272 52.037 0.052 0.000 0.818 110 A CB 0.575 19.642 19.000 0.110 0.000 1.096 110 A HN 0.772 nan 8.150 nan 0.000 0.495 111 R N 1.194 121.733 120.500 0.065 0.000 2.854 111 R HA 0.664 5.004 4.340 0.001 0.000 0.271 111 R C -1.225 175.055 176.300 -0.033 0.000 0.996 111 R CA -0.957 55.176 56.100 0.056 0.000 0.961 111 R CB 1.184 31.480 30.300 -0.008 0.000 1.182 111 R HN 0.299 nan 8.270 nan 0.000 0.479 112 V N 2.314 122.117 119.914 -0.186 0.000 2.572 112 V HA -0.011 4.109 4.120 0.001 0.000 0.291 112 V C 0.149 176.087 176.094 -0.259 0.000 1.039 112 V CA 0.486 62.486 62.300 -0.500 0.000 1.055 112 V CB 0.451 32.035 31.823 -0.400 0.000 0.969 112 V HN 0.707 nan 8.190 nan 0.000 0.482 113 F N 5.590 125.279 119.950 -0.435 0.000 2.480 113 F HA 0.468 4.995 4.527 0.001 0.000 0.280 113 F C 0.274 175.882 175.800 -0.319 0.000 1.002 113 F CA 0.333 58.145 58.000 -0.313 0.000 1.325 113 F CB 0.576 39.417 39.000 -0.265 0.000 1.134 113 F HN 0.343 nan 8.300 nan 0.000 0.646 114 L N 1.464 122.439 121.223 -0.413 0.000 2.446 114 L HA 0.379 4.719 4.340 0.001 0.000 0.268 114 L C -1.757 174.954 176.870 -0.265 0.000 0.975 114 L CA -0.369 54.223 54.840 -0.414 0.000 0.848 114 L CB 1.155 42.972 42.059 -0.404 0.000 1.225 114 L HN 0.018 nan 8.230 nan 0.000 0.410 115 D N 6.233 126.495 120.400 -0.230 0.000 2.472 115 D HA 0.448 5.089 4.640 0.001 0.000 0.234 115 D C -2.034 174.214 176.300 -0.088 0.000 1.088 115 D CA -2.056 51.853 54.000 -0.151 0.000 0.882 115 D CB 1.989 42.697 40.800 -0.154 0.000 1.037 115 D HN 0.305 nan 8.370 nan 0.000 0.520 116 P HA -0.024 nan 4.420 nan 0.000 0.225 116 P C 1.018 178.315 177.300 -0.005 0.000 1.148 116 P CA 0.447 63.544 63.100 -0.006 0.000 0.779 116 P CB 0.324 32.044 31.700 0.034 0.000 0.780 117 N N 0.244 118.935 118.700 -0.015 0.000 2.364 117 N HA -0.112 4.628 4.740 0.001 0.000 0.183 117 N C 1.588 177.090 175.510 -0.015 0.000 1.022 117 N CA 1.120 54.163 53.050 -0.012 0.000 0.883 117 N CB -0.399 38.077 38.487 -0.018 0.000 0.965 117 N HN 0.360 nan 8.380 nan 0.000 0.438 118 I N -2.269 118.287 120.570 -0.024 0.000 3.564 118 I HA 0.055 4.226 4.170 0.001 0.000 0.294 118 I C 1.302 177.413 176.117 -0.011 0.000 1.289 118 I CA 0.438 61.725 61.300 -0.022 0.000 1.325 118 I CB -0.173 37.806 38.000 -0.035 0.000 1.039 118 I HN -0.083 nan 8.210 nan 0.000 0.474 119 L N 1.184 122.405 121.223 -0.003 0.000 2.558 119 L HA 0.220 4.560 4.340 0.001 0.000 0.225 119 L C 0.732 177.607 176.870 0.009 0.000 1.128 119 L CA 0.128 54.974 54.840 0.009 0.000 0.868 119 L CB -0.263 41.812 42.059 0.027 0.000 1.006 119 L HN 0.523 nan 8.230 nan 0.000 0.454 120 S N -3.511 112.192 115.700 0.005 0.000 2.570 120 S HA 0.284 4.754 4.470 0.001 0.000 0.270 120 S C -0.191 174.410 174.600 0.002 0.000 1.149 120 S CA -0.796 57.406 58.200 0.003 0.000 0.837 120 S CB 1.853 65.055 63.200 0.003 0.000 1.124 120 S HN -0.108 nan 8.310 nan 0.000 0.465 121 D N 0.895 121.296 120.400 0.002 0.000 2.269 121 D HA 0.040 4.681 4.640 0.001 0.000 0.208 121 D C 0.693 176.996 176.300 0.005 0.000 0.963 121 D CA 1.564 55.566 54.000 0.003 0.000 0.864 121 D CB -0.033 40.769 40.800 0.005 0.000 0.936 121 D HN 0.772 nan 8.370 nan 0.000 0.505 122 D N -2.135 118.268 120.400 0.005 0.000 2.501 122 D HA 0.211 4.852 4.640 0.001 0.000 0.224 122 D C 1.292 177.597 176.300 0.009 0.000 1.202 122 D CA 0.067 54.072 54.000 0.008 0.000 0.829 122 D CB -0.153 40.653 40.800 0.010 0.000 1.023 122 D HN 0.047 nan 8.370 nan 0.000 0.499 123 G N 1.006 109.811 108.800 0.007 0.000 2.168 123 G HA2 -0.335 3.625 3.960 0.001 0.000 0.257 123 G HA3 -0.335 3.625 3.960 0.001 0.000 0.257 123 G C 0.914 175.821 174.900 0.011 0.000 0.997 123 G CA 0.969 46.075 45.100 0.010 0.000 0.708 123 G HN 0.667 nan 8.290 nan 0.000 0.520 124 T N -2.730 111.826 114.554 0.003 0.000 3.163 124 T HA 0.541 4.892 4.350 0.001 0.000 0.252 124 T C 0.469 175.165 174.700 -0.006 0.000 1.056 124 T CA 0.298 62.393 62.100 -0.007 0.000 0.947 124 T CB 0.947 69.798 68.868 -0.029 0.000 1.016 124 T HN 0.545 nan 8.240 nan 0.000 0.554 125 V N 1.813 121.732 119.914 0.009 0.000 2.384 125 V HA 0.804 4.925 4.120 0.001 0.000 0.287 125 V C 0.103 176.220 176.094 0.038 0.000 1.020 125 V CA -0.886 61.428 62.300 0.023 0.000 0.850 125 V CB 0.894 32.733 31.823 0.027 0.000 0.987 125 V HN 0.675 nan 8.190 nan 0.000 0.436 126 A N 4.586 127.436 122.820 0.051 0.000 2.413 126 A HA 0.872 5.193 4.320 0.001 0.000 0.307 126 A C -0.973 176.666 177.584 0.091 0.000 1.087 126 A CA -0.735 51.339 52.037 0.061 0.000 0.750 126 A CB 1.550 20.580 19.000 0.049 0.000 1.296 126 A HN 0.863 nan 8.150 nan 0.000 0.423 127 L N 1.155 122.444 121.223 0.111 0.000 2.380 127 L HA 0.549 4.890 4.340 0.001 0.000 0.273 127 L C 0.464 177.414 176.870 0.134 0.000 1.138 127 L CA 0.514 55.452 54.840 0.162 0.000 0.832 127 L CB 0.392 42.577 42.059 0.210 0.000 1.124 127 L HN 0.686 nan 8.230 nan 0.000 0.454 128 R N 4.508 125.092 120.500 0.140 0.000 2.576 128 R HA 0.558 4.899 4.340 0.001 0.000 0.283 128 R C -0.719 175.643 176.300 0.104 0.000 1.493 128 R CA 0.148 56.309 56.100 0.103 0.000 1.170 128 R CB 0.467 30.809 30.300 0.070 0.000 1.189 128 R HN 1.081 nan 8.270 nan 0.000 0.542 129 G N 3.130 112.008 108.800 0.129 0.000 2.785 129 G HA2 -0.195 3.765 3.960 0.001 0.000 0.686 129 G HA3 -0.195 3.765 3.960 0.001 0.000 0.686 129 G C -1.467 173.527 174.900 0.157 0.000 1.155 129 G CA -0.265 44.872 45.100 0.062 0.000 0.760 129 G HN 0.716 nan 8.290 nan 0.000 0.624 130 Y N -1.998 118.323 120.300 0.036 0.000 2.656 130 Y HA 0.903 5.453 4.550 0.001 0.000 0.334 130 Y C -0.272 175.640 175.900 0.019 0.000 1.179 130 Y CA -1.115 56.944 58.100 -0.069 0.000 1.050 130 Y CB 0.972 39.427 38.460 -0.008 0.000 1.308 130 Y HN 2.195 nan 8.280 nan 0.000 0.456 131 A N 1.884 124.782 122.820 0.129 0.000 2.465 131 A HA 0.704 5.025 4.320 0.001 0.000 0.292 131 A C -2.106 175.710 177.584 0.387 0.000 1.041 131 A CA -0.627 51.612 52.037 0.337 0.000 0.718 131 A CB 0.580 19.824 19.000 0.407 0.000 1.266 131 A HN 0.600 nan 8.150 nan 0.000 0.403 132 F N 1.899 122.089 119.950 0.400 0.000 2.375 132 F HA 0.466 4.994 4.527 0.001 0.000 0.333 132 F C 1.595 177.249 175.800 -0.243 0.000 1.104 132 F CA 0.541 58.643 58.000 0.170 0.000 1.149 132 F CB 1.571 40.642 39.000 0.118 0.000 1.190 132 F HN 0.686 nan 8.300 nan 0.000 0.533 133 S N 0.770 116.084 115.700 -0.644 0.000 2.580 133 S HA -0.011 4.460 4.470 0.001 0.000 0.266 133 S C 1.177 175.653 174.600 -0.206 0.000 1.354 133 S CA -0.326 57.321 58.200 -0.922 0.000 1.008 133 S CB 0.883 63.528 63.200 -0.925 0.000 0.898 133 S HN 0.744 nan 8.310 nan 0.000 0.555 134 E N 1.322 121.438 120.200 -0.139 0.000 2.118 134 E HA -0.239 4.111 4.350 0.001 0.000 0.195 134 E C 1.162 177.706 176.600 -0.094 0.000 0.992 134 E CA 2.059 58.364 56.400 -0.158 0.000 0.804 134 E CB -0.480 28.945 29.700 -0.459 0.000 0.741 134 E HN 0.874 nan 8.360 nan 0.000 0.458 135 D N -1.267 119.099 120.400 -0.057 0.000 2.336 135 D HA 0.087 4.728 4.640 0.001 0.000 0.229 135 D C 1.319 177.618 176.300 -0.002 0.000 1.061 135 D CA 0.731 54.721 54.000 -0.017 0.000 0.875 135 D CB -0.242 40.568 40.800 0.016 0.000 0.904 135 D HN 0.353 nan 8.370 nan 0.000 0.525 136 G N 0.472 109.282 108.800 0.015 0.000 2.168 136 G HA2 -0.340 3.620 3.960 0.001 0.000 0.263 136 G HA3 -0.340 3.620 3.960 0.001 0.000 0.263 136 G C 0.923 175.899 174.900 0.126 0.000 0.977 136 G CA 0.448 45.590 45.100 0.071 0.000 0.659 136 G HN 0.406 nan 8.290 nan 0.000 0.533 137 E N -1.231 119.010 120.200 0.069 0.000 2.385 137 E HA 0.176 4.526 4.350 0.001 0.000 0.194 137 E C 0.289 176.756 176.600 -0.221 0.000 1.013 137 E CA 0.570 56.953 56.400 -0.028 0.000 0.866 137 E CB 0.300 29.988 29.700 -0.021 0.000 0.832 137 E HN 0.647 nan 8.360 nan 0.000 0.500 138 Y N -0.726 119.579 120.300 0.007 0.000 2.570 138 Y HA 0.441 4.991 4.550 0.001 0.000 0.345 138 Y C -0.855 175.103 175.900 0.098 0.000 1.014 138 Y CA -1.282 56.847 58.100 0.048 0.000 1.063 138 Y CB 1.769 40.149 38.460 -0.133 0.000 1.272 138 Y HN -0.202 nan 8.280 nan 0.000 0.477 139 F N 1.808 121.924 119.950 0.276 0.000 2.585 139 F HA 0.809 5.337 4.527 0.001 0.000 0.319 139 F C -1.287 174.682 175.800 0.282 0.000 1.165 139 F CA -0.887 57.130 58.000 0.029 0.000 0.949 139 F CB 0.903 39.814 39.000 -0.148 0.000 1.218 139 F HN 0.512 nan 8.300 nan 0.000 0.453 140 A N 5.649 128.327 122.820 -0.238 0.000 2.317 140 A HA 0.778 5.098 4.320 0.001 0.000 0.327 140 A C -1.976 175.134 177.584 -0.789 0.000 1.178 140 A CA -0.464 51.152 52.037 -0.702 0.000 0.817 140 A CB 0.566 19.123 19.000 -0.738 0.000 1.189 140 A HN 0.962 nan 8.150 nan 0.000 0.489 141 Y N -0.429 119.388 120.300 -0.805 0.000 2.504 141 Y HA 0.724 5.275 4.550 0.001 0.000 0.344 141 Y C 0.092 175.824 175.900 -0.281 0.000 1.023 141 Y CA -1.066 56.736 58.100 -0.497 0.000 1.020 141 Y CB 0.868 39.068 38.460 -0.433 0.000 1.282 141 Y HN 0.807 nan 8.280 nan 0.000 0.454 142 G N 3.416 112.193 108.800 -0.038 0.000 2.377 142 G HA2 0.602 4.563 3.960 0.001 0.000 0.299 142 G HA3 0.602 4.563 3.960 0.001 0.000 0.299 142 G C -1.430 173.506 174.900 0.061 0.000 1.150 142 G CA -0.955 44.108 45.100 -0.062 0.000 0.847 142 G HN 0.742 nan 8.290 nan 0.000 0.501 143 L N 1.260 122.495 121.223 0.019 0.000 2.346 143 L HA 0.515 4.855 4.340 0.001 0.000 0.276 143 L C 0.045 176.949 176.870 0.057 0.000 1.006 143 L CA -0.662 54.226 54.840 0.079 0.000 0.817 143 L CB 2.320 44.426 42.059 0.080 0.000 1.272 143 L HN 0.417 nan 8.230 nan 0.000 0.421 144 S N 1.419 117.160 115.700 0.067 0.000 2.503 144 S HA 0.779 5.249 4.470 0.001 0.000 0.301 144 S C -0.406 174.224 174.600 0.050 0.000 1.087 144 S CA -0.595 57.646 58.200 0.068 0.000 1.042 144 S CB 1.981 65.222 63.200 0.067 0.000 1.043 144 S HN 0.655 nan 8.310 nan 0.000 0.489 145 A N 1.460 124.307 122.820 0.045 0.000 2.317 145 A HA 0.730 5.050 4.320 0.001 0.000 0.327 145 A C 0.624 178.169 177.584 -0.063 0.000 1.178 145 A CA -0.551 51.485 52.037 -0.002 0.000 0.817 145 A CB 0.238 19.238 19.000 -0.000 0.000 1.189 145 A HN 1.190 nan 8.150 nan 0.000 0.489 146 S N 0.725 116.348 115.700 -0.128 0.000 3.561 146 S HA -0.167 4.304 4.470 0.001 0.000 0.318 146 S C 1.347 175.864 174.600 -0.139 0.000 1.181 146 S CA 1.773 59.811 58.200 -0.270 0.000 0.916 146 S CB -1.626 61.100 63.200 -0.790 0.000 0.966 146 S HN 2.813 nan 8.310 nan 0.000 0.550 147 G N 0.238 109.027 108.800 -0.019 0.000 2.155 147 G HA2 -0.332 3.629 3.960 0.001 0.000 0.257 147 G HA3 -0.332 3.629 3.960 0.001 0.000 0.257 147 G C 0.130 175.090 174.900 0.100 0.000 0.983 147 G CA 0.921 46.051 45.100 0.050 0.000 0.676 147 G HN 1.567 nan 8.290 nan 0.000 0.528 148 S N -0.389 115.382 115.700 0.119 0.000 2.572 148 S HA 0.327 4.797 4.470 0.001 0.000 0.279 148 S C 1.407 176.045 174.600 0.064 0.000 1.341 148 S CA 0.423 58.718 58.200 0.158 0.000 1.043 148 S CB 0.571 63.938 63.200 0.278 0.000 0.887 148 S HN 0.209 nan 8.310 nan 0.000 0.516 149 D N 2.467 122.833 120.400 -0.057 0.000 2.310 149 D HA -0.020 4.620 4.640 0.001 0.000 0.212 149 D C 0.004 176.129 176.300 -0.293 0.000 0.965 149 D CA 0.417 54.284 54.000 -0.222 0.000 0.879 149 D CB -0.031 40.491 40.800 -0.464 0.000 0.921 149 D HN 0.616 nan 8.370 nan 0.000 0.510 150 W N 0.710 121.945 121.300 -0.108 0.000 2.231 150 W HA 0.156 4.816 4.660 0.001 0.000 0.341 150 W C 0.359 176.845 176.519 -0.056 0.000 1.298 150 W CA -0.300 56.994 57.345 -0.085 0.000 1.266 150 W CB 0.635 30.073 29.460 -0.037 0.000 1.172 150 W HN -0.373 nan 8.180 nan 0.000 0.568 151 V N 2.524 122.599 119.914 0.268 0.000 2.876 151 V HA 0.468 4.588 4.120 0.001 0.000 0.312 151 V C -0.242 175.897 176.094 0.076 0.000 1.085 151 V CA -0.921 61.451 62.300 0.119 0.000 0.945 151 V CB 2.418 34.275 31.823 0.057 0.000 1.017 151 V HN 0.429 nan 8.190 nan 0.000 0.428 152 T N 4.990 119.538 114.554 -0.009 0.000 2.792 152 T HA 0.631 4.981 4.350 0.001 0.000 0.280 152 T C -0.367 174.218 174.700 -0.191 0.000 0.990 152 T CA -0.158 61.889 62.100 -0.088 0.000 0.960 152 T CB 0.975 69.791 68.868 -0.087 0.000 0.939 152 T HN 0.367 nan 8.240 nan 0.000 0.439 153 I N 3.507 123.912 120.570 -0.274 0.000 2.353 153 I HA 0.427 4.598 4.170 0.001 0.000 0.293 153 I C 0.412 176.207 176.117 -0.537 0.000 0.992 153 I CA -0.588 60.442 61.300 -0.450 0.000 1.268 153 I CB 1.144 38.850 38.000 -0.489 0.000 1.387 153 I HN 0.370 nan 8.210 nan 0.000 0.478 154 K N 5.036 124.909 120.400 -0.878 0.000 2.346 154 K HA 0.725 5.045 4.320 0.001 0.000 0.238 154 K C -1.496 174.599 176.600 -0.842 0.000 1.039 154 K CA -0.714 55.129 56.287 -0.739 0.000 0.861 154 K CB 2.294 34.329 32.500 -0.775 0.000 1.278 154 K HN 0.217 nan 8.250 nan 0.000 0.460 155 F N 0.681 120.514 119.950 -0.196 0.000 2.588 155 F HA 0.529 5.057 4.527 0.001 0.000 0.310 155 F C -0.425 175.557 175.800 0.304 0.000 1.082 155 F CA -0.718 57.351 58.000 0.115 0.000 0.929 155 F CB 1.921 41.010 39.000 0.149 0.000 1.254 155 F HN 0.166 nan 8.300 nan 0.000 0.455 156 M N 1.863 121.840 119.600 0.627 0.000 2.501 156 M HA 0.364 4.844 4.480 0.001 0.000 0.293 156 M C -0.961 175.598 176.300 0.431 0.000 1.192 156 M CA -0.833 54.749 55.300 0.470 0.000 0.886 156 M CB 2.961 35.791 32.600 0.382 0.000 1.710 156 M HN 0.473 nan 8.290 nan 0.000 0.457 157 K N 1.241 121.771 120.400 0.215 0.000 2.234 157 K HA 0.362 4.682 4.320 0.001 0.000 0.282 157 K C 0.260 176.879 176.600 0.032 0.000 1.039 157 K CA -0.315 55.900 56.287 -0.122 0.000 0.928 157 K CB 1.280 33.682 32.500 -0.164 0.000 1.039 157 K HN 0.593 nan 8.250 nan 0.000 0.470 158 V N 2.353 122.277 119.914 0.016 0.000 2.307 158 V HA -0.183 3.938 4.120 0.001 0.000 0.245 158 V C 0.684 176.885 176.094 0.179 0.000 1.045 158 V CA 1.474 63.924 62.300 0.250 0.000 1.024 158 V CB -0.462 31.458 31.823 0.161 0.000 0.651 158 V HN 0.872 nan 8.190 nan 0.000 0.449 159 D N 0.093 120.506 120.400 0.022 0.000 2.363 159 D HA 0.360 5.001 4.640 0.001 0.000 0.263 159 D C 1.074 177.388 176.300 0.025 0.000 1.258 159 D CA 1.034 55.042 54.000 0.014 0.000 0.907 159 D CB 0.264 41.050 40.800 -0.024 0.000 1.107 159 D HN 0.428 nan 8.370 nan 0.000 0.495 160 G N 3.175 111.999 108.800 0.041 0.000 2.176 160 G HA2 -0.140 3.821 3.960 0.001 0.000 0.253 160 G HA3 -0.140 3.821 3.960 0.001 0.000 0.253 160 G C 0.784 175.694 174.900 0.017 0.000 0.979 160 G CA 0.434 45.548 45.100 0.023 0.000 0.641 160 G HN 1.720 nan 8.290 nan 0.000 0.530 161 A N -1.216 121.640 122.820 0.060 0.000 2.560 161 A HA -0.094 4.227 4.320 0.001 0.000 0.299 161 A C 0.730 178.275 177.584 -0.065 0.000 1.484 161 A CA 2.080 54.084 52.037 -0.055 0.000 0.749 161 A CB -1.095 17.753 19.000 -0.252 0.000 1.072 161 A HN 0.919 nan 8.150 nan 0.000 0.426 162 K N 1.280 121.688 120.400 0.013 0.000 2.276 162 K HA 0.261 4.581 4.320 0.001 0.000 0.285 162 K C 0.336 176.986 176.600 0.084 0.000 1.062 162 K CA -0.207 56.102 56.287 0.036 0.000 0.918 162 K CB 0.724 33.255 32.500 0.052 0.000 1.055 162 K HN 0.713 nan 8.250 nan 0.000 0.477 163 E N 2.905 123.149 120.200 0.074 0.000 2.415 163 E HA 0.017 4.368 4.350 0.001 0.000 0.263 163 E C -0.104 176.579 176.600 0.139 0.000 0.995 163 E CA 0.192 56.666 56.400 0.123 0.000 0.915 163 E CB 0.537 30.290 29.700 0.089 0.000 0.951 163 E HN 0.278 nan 8.360 nan 0.000 0.449 164 L N 4.361 125.698 121.223 0.189 0.000 2.332 164 L HA 0.279 4.619 4.340 0.001 0.000 0.269 164 L C -1.538 175.399 176.870 0.112 0.000 1.016 164 L CA -1.905 53.035 54.840 0.167 0.000 0.809 164 L CB 0.777 42.978 42.059 0.237 0.000 1.280 164 L HN 0.390 nan 8.230 nan 0.000 0.447 165 P HA -0.054 nan 4.420 nan 0.000 0.219 165 P C -0.595 176.708 177.300 0.005 0.000 1.150 165 P CA 0.618 63.734 63.100 0.028 0.000 0.814 165 P CB -0.002 31.704 31.700 0.011 0.000 0.787 166 D N -0.214 120.177 120.400 -0.015 0.000 2.520 166 D HA 0.155 4.796 4.640 0.001 0.000 0.243 166 D C -0.317 175.974 176.300 -0.015 0.000 1.160 166 D CA 0.681 54.625 54.000 -0.094 0.000 0.877 166 D CB 0.197 40.777 40.800 -0.366 0.000 1.150 166 D HN -0.119 nan 8.370 nan 0.000 0.494 167 V N 3.649 123.488 119.914 -0.125 0.000 2.686 167 V HA 0.369 4.489 4.120 0.001 0.000 0.306 167 V C -0.373 175.573 176.094 -0.247 0.000 1.065 167 V CA -0.860 61.359 62.300 -0.135 0.000 0.894 167 V CB 1.733 33.493 31.823 -0.106 0.000 1.004 167 V HN 0.376 nan 8.190 nan 0.000 0.424 168 L N 4.396 125.448 121.223 -0.285 0.000 2.325 168 L HA 0.652 4.993 4.340 0.001 0.000 0.281 168 L C -0.034 176.703 176.870 -0.222 0.000 1.004 168 L CA -0.495 54.122 54.840 -0.371 0.000 0.823 168 L CB 1.800 43.446 42.059 -0.687 0.000 1.236 168 L HN 0.597 nan 8.230 nan 0.000 0.415 169 E N 2.966 123.080 120.200 -0.142 0.000 2.239 169 E HA 0.469 4.819 4.350 0.001 0.000 0.261 169 E C -0.211 176.399 176.600 0.016 0.000 1.016 169 E CA -0.852 55.503 56.400 -0.075 0.000 0.882 169 E CB 1.405 31.047 29.700 -0.098 0.000 1.190 169 E HN 0.408 nan 8.360 nan 0.000 0.415 170 R N -1.128 119.388 120.500 0.028 0.000 3.776 170 R HA -0.128 4.212 4.340 0.001 0.000 0.312 170 R C -0.607 175.990 176.300 0.496 0.000 1.181 170 R CA 0.158 56.352 56.100 0.156 0.000 0.836 170 R CB -2.247 28.121 30.300 0.113 0.000 1.324 170 R HN 0.237 nan 8.270 nan 0.000 0.501 171 V N 1.282 121.446 119.914 0.417 0.000 2.498 171 V HA 0.426 4.546 4.120 0.001 0.000 0.279 171 V C 0.509 176.814 176.094 0.352 0.000 1.048 171 V CA 0.093 62.623 62.300 0.384 0.000 0.967 171 V CB 1.715 33.666 31.823 0.214 0.000 0.988 171 V HN 0.170 nan 8.190 nan 0.000 0.473 172 K N 3.932 124.463 120.400 0.220 0.000 2.572 172 K HA 0.393 4.714 4.320 0.001 0.000 0.263 172 K C -1.082 175.476 176.600 -0.071 0.000 0.932 172 K CA -0.761 55.404 56.287 -0.204 0.000 0.838 172 K CB 1.118 33.195 32.500 -0.704 0.000 1.366 172 K HN 0.310 nan 8.250 nan 0.000 0.425 173 F N -0.215 119.796 119.950 0.102 0.000 3.004 173 F HA -0.217 4.310 4.527 0.001 0.000 0.264 173 F C 0.143 176.006 175.800 0.106 0.000 0.979 173 F CA 0.941 58.998 58.000 0.094 0.000 0.896 173 F CB -1.990 37.079 39.000 0.116 0.000 0.813 173 F HN 0.337 nan 8.300 nan 0.000 0.804 174 S N -0.149 115.682 115.700 0.219 0.000 2.525 174 S HA 0.707 5.177 4.470 0.001 0.000 0.290 174 S C 0.473 175.175 174.600 0.170 0.000 1.152 174 S CA -0.339 57.979 58.200 0.196 0.000 1.072 174 S CB 0.911 64.237 63.200 0.211 0.000 1.027 174 S HN 0.589 nan 8.310 nan 0.000 0.500 175 C N 3.970 123.372 119.300 0.171 0.000 2.553 175 C HA 0.735 5.196 4.460 0.001 0.000 0.345 175 C C -0.023 175.082 174.990 0.193 0.000 1.369 175 C CA -0.866 58.251 59.018 0.165 0.000 2.447 175 C CB -0.764 27.077 27.740 0.169 0.000 2.358 175 C HN 0.825 nan 8.230 nan 0.000 0.676 176 M N 1.831 121.541 119.600 0.184 0.000 2.182 176 M HA 0.533 5.014 4.480 0.001 0.000 0.266 176 M C -0.761 175.692 176.300 0.255 0.000 0.989 176 M CA -0.030 55.379 55.300 0.183 0.000 1.003 176 M CB 1.864 34.514 32.600 0.084 0.000 1.812 176 M HN 1.005 nan 8.290 nan 0.000 0.472 177 A N 2.970 125.988 122.820 0.330 0.000 2.476 177 A HA 0.705 5.025 4.320 0.001 0.000 0.280 177 A C -1.986 175.916 177.584 0.529 0.000 1.081 177 A CA -0.489 51.827 52.037 0.466 0.000 0.753 177 A CB 0.700 19.986 19.000 0.477 0.000 1.248 177 A HN 0.845 nan 8.150 nan 0.000 0.424 178 W N 2.104 123.634 121.300 0.383 0.000 2.218 178 W HA 0.457 5.117 4.660 0.001 0.000 0.326 178 W C 1.170 177.955 176.519 0.443 0.000 1.276 178 W CA 0.483 58.041 57.345 0.354 0.000 1.210 178 W CB 0.983 30.616 29.460 0.288 0.000 1.143 178 W HN 0.736 nan 8.180 nan 0.000 0.563 179 T N -1.355 113.582 114.554 0.639 0.000 2.918 179 T HA 0.064 4.415 4.350 0.001 0.000 0.302 179 T C 0.755 175.792 174.700 0.562 0.000 1.045 179 T CA -0.237 62.194 62.100 0.551 0.000 1.114 179 T CB 0.654 69.758 68.868 0.394 0.000 0.965 179 T HN 0.582 nan 8.240 nan 0.000 0.540 180 H N 0.637 119.874 119.070 0.278 0.000 2.546 180 H HA -0.050 4.506 4.556 0.001 0.000 0.277 180 H C 1.520 176.952 175.328 0.174 0.000 1.004 180 H CA 0.827 57.006 56.048 0.218 0.000 1.231 180 H CB 0.270 30.140 29.762 0.179 0.000 1.382 180 H HN 0.789 nan 8.280 nan 0.000 0.580 181 D N -0.125 120.447 120.400 0.287 0.000 2.371 181 D HA -0.041 4.600 4.640 0.001 0.000 0.221 181 D C 1.730 178.140 176.300 0.183 0.000 0.986 181 D CA 0.840 54.957 54.000 0.195 0.000 0.899 181 D CB -0.402 40.491 40.800 0.155 0.000 0.902 181 D HN 0.394 nan 8.370 nan 0.000 0.530 182 G N 0.971 109.916 108.800 0.242 0.000 2.162 182 G HA2 -0.435 3.526 3.960 0.001 0.000 0.260 182 G HA3 -0.435 3.526 3.960 0.001 0.000 0.260 182 G C 0.943 175.990 174.900 0.244 0.000 0.976 182 G CA 0.644 45.877 45.100 0.221 0.000 0.655 182 G HN 0.551 nan 8.290 nan 0.000 0.533 183 K N 0.145 120.686 120.400 0.234 0.000 2.228 183 K HA 0.380 4.701 4.320 0.001 0.000 0.202 183 K C 1.327 177.931 176.600 0.007 0.000 1.051 183 K CA 1.496 57.858 56.287 0.125 0.000 0.960 183 K CB -0.083 32.508 32.500 0.152 0.000 0.743 183 K HN 1.136 nan 8.250 nan 0.000 0.458 184 G N -0.165 108.653 108.800 0.031 0.000 2.349 184 G HA2 0.295 4.255 3.960 0.001 0.000 0.294 184 G HA3 0.295 4.255 3.960 0.001 0.000 0.294 184 G C -2.020 172.527 174.900 -0.587 0.000 1.380 184 G CA -0.781 44.006 45.100 -0.523 0.000 0.811 184 G HN 0.066 nan 8.290 nan 0.000 0.519 185 M N 0.197 119.256 119.600 -0.903 0.000 2.386 185 M HA 0.681 5.162 4.480 0.001 0.000 0.293 185 M C -1.418 174.750 176.300 -0.221 0.000 1.120 185 M CA -0.756 54.212 55.300 -0.554 0.000 0.909 185 M CB 1.793 33.837 32.600 -0.926 0.000 1.661 185 M HN 0.374 nan 8.290 nan 0.000 0.452 186 F N 4.459 124.565 119.950 0.260 0.000 2.429 186 F HA 0.450 4.977 4.527 0.001 0.000 0.348 186 F C -0.138 175.861 175.800 0.332 0.000 1.109 186 F CA 0.456 58.664 58.000 0.348 0.000 1.232 186 F CB 0.453 39.649 39.000 0.326 0.000 1.157 186 F HN 0.512 nan 8.300 nan 0.000 0.564 187 Y N -0.537 119.975 120.300 0.354 0.000 2.689 187 Y HA 0.560 5.110 4.550 0.001 0.000 0.333 187 Y C -1.927 174.130 175.900 0.261 0.000 1.208 187 Y CA -1.968 56.268 58.100 0.227 0.000 1.055 187 Y CB 0.858 39.389 38.460 0.119 0.000 1.304 187 Y HN 0.513 nan 8.280 nan 0.000 0.455 188 N N 0.575 119.348 118.700 0.122 0.000 2.370 188 N HA 0.849 5.590 4.740 0.001 0.000 0.303 188 N C -1.451 174.159 175.510 0.167 0.000 1.103 188 N CA -0.582 52.488 53.050 0.032 0.000 0.848 188 N CB 2.192 40.719 38.487 0.067 0.000 1.235 188 N HN 0.961 nan 8.380 nan 0.000 0.496 189 A N 1.028 123.938 122.820 0.150 0.000 2.587 189 A HA 0.626 4.946 4.320 0.001 0.000 0.293 189 A C -1.906 175.761 177.584 0.138 0.000 1.087 189 A CA -0.491 51.706 52.037 0.267 0.000 0.692 189 A CB 0.731 19.931 19.000 0.333 0.000 1.291 189 A HN 0.596 nan 8.150 nan 0.000 0.407 190 Y N 0.644 121.158 120.300 0.357 0.000 2.387 190 Y HA 0.520 5.070 4.550 0.001 0.000 0.330 190 Y C -2.006 174.060 175.900 0.277 0.000 1.133 190 Y CA -1.860 56.444 58.100 0.339 0.000 1.152 190 Y CB 1.187 39.908 38.460 0.435 0.000 1.215 190 Y HN 0.451 nan 8.280 nan 0.000 0.466 191 P HA 0.019 nan 4.420 nan 0.000 0.270 191 P C -0.921 176.500 177.300 0.202 0.000 1.223 191 P CA -0.420 62.826 63.100 0.243 0.000 0.785 191 P CB 0.487 32.304 31.700 0.195 0.000 0.923 192 Q N 1.266 121.133 119.800 0.112 0.000 2.352 192 Q HA -0.079 4.262 4.340 0.001 0.000 0.326 192 Q C 0.267 176.313 176.000 0.078 0.000 1.135 192 Q CA 1.118 56.958 55.803 0.062 0.000 1.000 192 Q CB -0.167 28.588 28.738 0.027 0.000 1.237 192 Q HN 0.547 nan 8.270 nan 0.000 0.409 193 Q N 0.205 120.034 119.800 0.050 0.000 2.416 193 Q HA 0.461 4.801 4.340 0.001 0.000 0.281 193 Q C -1.237 174.779 176.000 0.027 0.000 1.067 193 Q CA -0.986 54.853 55.803 0.060 0.000 0.809 193 Q CB 1.583 30.383 28.738 0.103 0.000 1.418 193 Q HN 0.299 nan 8.270 nan 0.000 0.411 194 D N 0.654 121.072 120.400 0.031 0.000 2.382 194 D HA 0.398 5.039 4.640 0.001 0.000 0.240 194 D C 0.876 177.186 176.300 0.017 0.000 1.146 194 D CA 1.919 55.930 54.000 0.018 0.000 0.897 194 D CB 0.824 41.637 40.800 0.021 0.000 1.197 194 D HN 0.920 nan 8.370 nan 0.000 0.432 195 G N 1.272 110.074 108.800 0.005 0.000 2.645 195 G HA2 -0.262 3.698 3.960 0.001 0.000 0.239 195 G HA3 -0.262 3.698 3.960 0.001 0.000 0.239 195 G C -0.296 174.596 174.900 -0.013 0.000 1.331 195 G CA -0.407 44.695 45.100 0.003 0.000 0.890 195 G HN 0.539 nan 8.290 nan 0.000 0.572 196 K N -0.313 120.083 120.400 -0.008 0.000 2.154 196 K HA 0.551 4.871 4.320 0.001 0.000 0.264 196 K C 0.058 176.631 176.600 -0.044 0.000 1.008 196 K CA 0.248 56.517 56.287 -0.031 0.000 0.937 196 K CB 0.904 33.396 32.500 -0.014 0.000 1.002 196 K HN 0.344 nan 8.250 nan 0.000 0.469 197 S N 2.106 117.704 115.700 -0.169 0.000 2.139 197 S HA 0.052 4.522 4.470 0.001 0.000 0.183 197 S C -0.731 173.598 174.600 -0.452 0.000 1.473 197 S CA -0.613 57.356 58.200 -0.384 0.000 1.263 197 S CB -0.012 62.669 63.200 -0.864 0.000 1.170 197 S HN 0.706 nan 8.310 nan 0.000 0.430 198 D N -0.385 120.000 120.400 -0.026 0.000 2.520 198 D HA 0.273 4.914 4.640 0.001 0.000 0.223 198 D C 1.216 177.731 176.300 0.359 0.000 1.186 198 D CA 0.381 54.444 54.000 0.104 0.000 0.821 198 D CB -0.009 40.839 40.800 0.080 0.000 1.072 198 D HN 0.482 nan 8.370 nan 0.000 0.518 199 G N 0.477 109.523 108.800 0.410 0.000 2.213 199 G HA2 -0.325 3.635 3.960 0.001 0.000 0.226 199 G HA3 -0.325 3.635 3.960 0.001 0.000 0.226 199 G C 1.173 176.114 174.900 0.069 0.000 0.992 199 G CA 0.658 45.944 45.100 0.309 0.000 0.632 199 G HN 0.599 nan 8.290 nan 0.000 0.511 200 T N -0.620 113.894 114.554 -0.067 0.000 3.065 200 T HA 0.366 4.716 4.350 0.001 0.000 0.252 200 T C 0.929 175.606 174.700 -0.038 0.000 1.099 200 T CA 1.024 63.029 62.100 -0.159 0.000 1.063 200 T CB 0.218 68.938 68.868 -0.247 0.000 0.948 200 T HN 0.809 nan 8.240 nan 0.000 0.506 201 E N 2.293 122.515 120.200 0.036 0.000 2.318 201 E HA 0.154 4.505 4.350 0.001 0.000 0.265 201 E C 0.281 176.922 176.600 0.068 0.000 1.069 201 E CA -0.126 56.308 56.400 0.056 0.000 0.893 201 E CB 1.281 31.038 29.700 0.095 0.000 1.076 201 E HN 0.282 nan 8.360 nan 0.000 0.414 202 T N -1.709 112.884 114.554 0.066 0.000 3.054 202 T HA 0.144 4.495 4.350 0.001 0.000 0.255 202 T C 0.223 175.031 174.700 0.180 0.000 1.035 202 T CA -0.492 61.669 62.100 0.101 0.000 0.941 202 T CB -0.130 68.761 68.868 0.037 0.000 1.026 202 T HN 0.277 nan 8.240 nan 0.000 0.533 203 S N 2.814 118.599 115.700 0.141 0.000 2.546 203 S HA 0.212 4.683 4.470 0.001 0.000 0.290 203 S C 0.564 175.227 174.600 0.106 0.000 1.290 203 S CA -0.261 58.015 58.200 0.126 0.000 1.069 203 S CB 0.746 64.019 63.200 0.121 0.000 0.846 203 S HN 0.557 nan 8.310 nan 0.000 0.495 204 T N 2.928 117.529 114.554 0.079 0.000 2.940 204 T HA 0.049 4.399 4.350 0.001 0.000 0.309 204 T C -0.072 174.668 174.700 0.066 0.000 1.056 204 T CA -0.229 61.911 62.100 0.067 0.000 1.137 204 T CB -0.366 68.522 68.868 0.035 0.000 0.976 204 T HN 0.627 nan 8.240 nan 0.000 0.547 205 N N 4.591 123.323 118.700 0.053 0.000 2.457 205 N HA 0.549 5.289 4.740 0.001 0.000 0.250 205 N C -0.889 174.759 175.510 0.229 0.000 0.982 205 N CA -0.472 52.540 53.050 -0.063 0.000 0.941 205 N CB 0.983 39.196 38.487 -0.456 0.000 1.120 205 N HN 0.437 nan 8.380 nan 0.000 0.505 206 L N 1.007 122.405 121.223 0.290 0.000 2.327 206 L HA 0.490 4.831 4.340 0.001 0.000 0.258 206 L C 0.003 177.103 176.870 0.384 0.000 1.024 206 L CA -0.991 53.985 54.840 0.226 0.000 0.825 206 L CB 1.467 43.500 42.059 -0.043 0.000 1.386 206 L HN 0.643 nan 8.230 nan 0.000 0.417 207 H N -0.131 119.091 119.070 0.253 0.000 2.839 207 H HA -0.163 4.394 4.556 0.001 0.000 0.298 207 H C 0.159 175.543 175.328 0.094 0.000 1.224 207 H CA 0.522 56.670 56.048 0.167 0.000 1.144 207 H CB -0.830 29.016 29.762 0.141 0.000 1.372 207 H HN 0.604 nan 8.280 nan 0.000 0.408 208 Q N 1.096 120.922 119.800 0.044 0.000 2.330 208 Q HA 0.212 4.553 4.340 0.001 0.000 0.279 208 Q C -0.088 175.846 176.000 -0.111 0.000 1.024 208 Q CA 0.495 56.072 55.803 -0.376 0.000 0.900 208 Q CB 0.703 29.155 28.738 -0.477 0.000 1.221 208 Q HN 0.341 nan 8.270 nan 0.000 0.396 209 K N 2.581 122.886 120.400 -0.159 0.000 2.350 209 K HA 0.481 4.801 4.320 0.001 0.000 0.241 209 K C -1.309 175.119 176.600 -0.287 0.000 0.994 209 K CA -0.962 55.168 56.287 -0.261 0.000 0.839 209 K CB 1.339 33.613 32.500 -0.378 0.000 1.244 209 K HN 0.416 nan 8.250 nan 0.000 0.443 210 L N 2.044 123.047 121.223 -0.366 0.000 2.272 210 L HA 0.426 4.767 4.340 0.001 0.000 0.289 210 L C -1.648 175.014 176.870 -0.346 0.000 1.032 210 L CA -0.048 54.655 54.840 -0.229 0.000 0.810 210 L CB 0.327 42.340 42.059 -0.077 0.000 1.205 210 L HN 0.462 nan 8.230 nan 0.000 0.422 211 Y N 3.792 123.995 120.300 -0.160 0.000 2.598 211 Y HA 0.488 5.039 4.550 0.001 0.000 0.340 211 Y C -1.209 174.767 175.900 0.126 0.000 1.038 211 Y CA -0.343 57.686 58.100 -0.119 0.000 1.100 211 Y CB 1.782 39.951 38.460 -0.486 0.000 1.281 211 Y HN 0.508 nan 8.280 nan 0.000 0.488 212 Y N 1.485 121.927 120.300 0.237 0.000 2.331 212 Y HA 0.393 4.943 4.550 0.001 0.000 0.334 212 Y C -1.216 174.778 175.900 0.157 0.000 0.960 212 Y CA -1.153 56.969 58.100 0.037 0.000 1.130 212 Y CB 0.580 38.938 38.460 -0.169 0.000 1.164 212 Y HN 0.699 nan 8.280 nan 0.000 0.458 213 H N 4.830 123.673 119.070 -0.378 0.000 2.519 213 H HA 0.561 5.117 4.556 0.001 0.000 0.316 213 H C -1.394 173.508 175.328 -0.710 0.000 1.065 213 H CA -0.592 55.249 56.048 -0.344 0.000 1.264 213 H CB 1.014 30.613 29.762 -0.273 0.000 1.413 213 H HN 0.509 nan 8.280 nan 0.000 0.465 214 V N 7.296 126.613 119.914 -0.995 0.000 2.427 214 V HA 0.015 4.135 4.120 0.001 0.000 0.268 214 V C 0.316 175.826 176.094 -0.974 0.000 1.046 214 V CA -0.615 61.211 62.300 -0.791 0.000 0.970 214 V CB 0.362 31.966 31.823 -0.365 0.000 1.001 214 V HN 0.680 nan 8.190 nan 0.000 0.476 215 L N 5.445 126.247 121.223 -0.701 0.000 2.559 215 L HA 0.434 4.775 4.340 0.001 0.000 0.282 215 L C 1.221 177.872 176.870 -0.366 0.000 1.232 215 L CA 1.954 56.466 54.840 -0.548 0.000 0.885 215 L CB 0.337 42.190 42.059 -0.343 0.000 1.131 215 L HN 0.980 nan 8.230 nan 0.000 0.498 216 G N 1.605 110.239 108.800 -0.277 0.000 2.132 216 G HA2 -0.224 3.736 3.960 0.001 0.000 0.234 216 G HA3 -0.224 3.736 3.960 0.001 0.000 0.234 216 G C 0.192 175.006 174.900 -0.144 0.000 0.989 216 G CA 0.343 45.349 45.100 -0.157 0.000 0.676 216 G HN 1.091 nan 8.290 nan 0.000 0.522 217 T N -2.793 111.646 114.554 -0.192 0.000 2.907 217 T HA 0.652 5.003 4.350 0.001 0.000 0.290 217 T C -0.750 173.959 174.700 0.015 0.000 1.066 217 T CA -0.495 61.533 62.100 -0.121 0.000 1.012 217 T CB 2.820 71.573 68.868 -0.192 0.000 1.184 217 T HN 0.024 nan 8.240 nan 0.000 0.522 218 D N 0.525 120.934 120.400 0.014 0.000 2.304 218 D HA 0.069 4.709 4.640 0.001 0.000 0.247 218 D C 1.077 177.419 176.300 0.070 0.000 1.089 218 D CA -0.054 53.963 54.000 0.028 0.000 0.910 218 D CB 1.693 42.491 40.800 -0.004 0.000 1.199 218 D HN 0.770 nan 8.370 nan 0.000 0.426 219 Q N 1.500 121.306 119.800 0.010 0.000 2.152 219 Q HA -0.226 4.114 4.340 0.001 0.000 0.206 219 Q C 1.766 177.764 176.000 -0.004 0.000 0.985 219 Q CA 2.076 57.863 55.803 -0.025 0.000 0.863 219 Q CB 0.055 28.708 28.738 -0.142 0.000 0.904 219 Q HN 0.535 nan 8.270 nan 0.000 0.422 220 S N -0.269 115.423 115.700 -0.014 0.000 2.440 220 S HA -0.166 4.304 4.470 0.001 0.000 0.238 220 S C 1.133 175.743 174.600 0.017 0.000 1.010 220 S CA 1.345 59.540 58.200 -0.009 0.000 0.972 220 S CB -0.205 62.989 63.200 -0.009 0.000 0.774 220 S HN 0.504 nan 8.310 nan 0.000 0.501 221 E N 1.177 121.394 120.200 0.028 0.000 2.489 221 E HA 0.113 4.464 4.350 0.001 0.000 0.193 221 E C -0.516 176.126 176.600 0.070 0.000 1.057 221 E CA -0.132 56.289 56.400 0.035 0.000 0.866 221 E CB -0.010 29.694 29.700 0.005 0.000 0.916 221 E HN 0.538 nan 8.360 nan 0.000 0.500 222 D N 0.868 121.333 120.400 0.108 0.000 2.382 222 D HA 0.059 4.699 4.640 0.001 0.000 0.240 222 D C 0.096 176.554 176.300 0.263 0.000 1.146 222 D CA 0.060 54.175 54.000 0.192 0.000 0.897 222 D CB 0.890 41.849 40.800 0.265 0.000 1.197 222 D HN -0.097 nan 8.370 nan 0.000 0.432 223 I N 1.974 122.732 120.570 0.313 0.000 2.342 223 I HA 0.080 4.250 4.170 0.001 0.000 0.291 223 I C 0.251 176.553 176.117 0.310 0.000 1.010 223 I CA -0.838 60.627 61.300 0.275 0.000 1.308 223 I CB 0.438 38.580 38.000 0.237 0.000 1.400 223 I HN 0.197 nan 8.210 nan 0.000 0.488 224 L N 7.199 128.537 121.223 0.191 0.000 2.369 224 L HA 0.186 4.526 4.340 0.001 0.000 0.279 224 L C 0.503 177.371 176.870 -0.002 0.000 1.108 224 L CA 0.635 55.436 54.840 -0.065 0.000 0.852 224 L CB 0.716 42.727 42.059 -0.081 0.000 1.169 224 L HN 0.748 nan 8.230 nan 0.000 0.452 225 C N 3.821 123.130 119.300 0.015 0.000 2.820 225 C HA 0.745 5.205 4.460 0.001 0.000 0.323 225 C C 0.834 176.000 174.990 0.292 0.000 1.279 225 C CA 0.147 59.283 59.018 0.197 0.000 1.790 225 C CB -0.687 27.292 27.740 0.398 0.000 2.328 225 C HN 0.919 nan 8.230 nan 0.000 0.579 226 A N 1.021 123.859 122.820 0.031 0.000 2.566 226 A HA 0.688 5.009 4.320 0.001 0.000 0.297 226 A C -1.284 175.970 177.584 -0.549 0.000 1.059 226 A CA -0.378 51.569 52.037 -0.151 0.000 0.691 226 A CB 1.025 19.894 19.000 -0.218 0.000 1.282 226 A HN 0.488 nan 8.150 nan 0.000 0.401 227 E N 0.086 119.816 120.200 -0.784 0.000 2.390 227 E HA 0.686 5.037 4.350 0.001 0.000 0.280 227 E C -1.893 174.158 176.600 -0.916 0.000 0.992 227 E CA -0.824 55.096 56.400 -0.800 0.000 0.790 227 E CB 1.355 30.849 29.700 -0.344 0.000 1.248 227 E HN 0.420 nan 8.360 nan 0.000 0.447 228 F N 1.254 121.224 119.950 0.033 0.000 2.523 228 F HA 0.345 4.872 4.527 0.001 0.000 0.322 228 F C -1.905 173.869 175.800 -0.042 0.000 1.361 228 F CA -2.101 55.880 58.000 -0.033 0.000 1.151 228 F CB 1.257 40.224 39.000 -0.055 0.000 1.391 228 F HN 0.354 nan 8.300 nan 0.000 0.566 229 P HA -0.120 nan 4.420 nan 0.000 0.220 229 P C 0.556 177.925 177.300 0.115 0.000 1.148 229 P CA 1.365 64.557 63.100 0.154 0.000 0.803 229 P CB 0.463 32.184 31.700 0.035 0.000 0.782 230 D N -0.275 120.118 120.400 -0.012 0.000 2.340 230 D HA 0.011 4.651 4.640 0.001 0.000 0.220 230 D C 0.358 176.529 176.300 -0.214 0.000 1.039 230 D CA 0.718 54.670 54.000 -0.079 0.000 0.866 230 D CB 0.233 40.976 40.800 -0.095 0.000 0.913 230 D HN 0.244 nan 8.370 nan 0.000 0.523 231 E N 0.542 120.541 120.200 -0.335 0.000 3.374 231 E HA 0.171 4.521 4.350 0.001 0.000 0.223 231 E C -1.998 174.384 176.600 -0.364 0.000 1.210 231 E CA -1.573 54.461 56.400 -0.611 0.000 0.987 231 E CB 1.668 30.339 29.700 -1.715 0.000 1.322 231 E HN 0.013 nan 8.360 nan 0.000 0.404 232 P HA -0.099 nan 4.420 nan 0.000 0.223 232 P C 0.861 178.020 177.300 -0.235 0.000 1.144 232 P CA 1.093 63.904 63.100 -0.483 0.000 0.783 232 P CB 0.342 31.685 31.700 -0.595 0.000 0.771 233 K N -2.936 117.407 120.400 -0.096 0.000 2.361 233 K HA 0.023 4.343 4.320 0.001 0.000 0.194 233 K C 0.157 176.920 176.600 0.272 0.000 1.032 233 K CA -0.153 56.154 56.287 0.034 0.000 1.048 233 K CB 0.047 32.543 32.500 -0.005 0.000 0.842 233 K HN 0.112 nan 8.250 nan 0.000 0.526 234 W N 1.818 123.089 121.300 -0.047 0.000 2.210 234 W HA 0.156 4.817 4.660 0.001 0.000 0.330 234 W C 0.154 176.652 176.519 -0.034 0.000 1.334 234 W CA -0.193 57.075 57.345 -0.129 0.000 1.227 234 W CB -0.061 29.154 29.460 -0.409 0.000 1.178 234 W HN -0.076 nan 8.180 nan 0.000 0.560 235 M N 3.115 122.770 119.600 0.092 0.000 2.142 235 M HA 0.388 4.868 4.480 0.001 0.000 0.299 235 M C 0.423 176.725 176.300 0.002 0.000 0.960 235 M CA -0.325 55.038 55.300 0.105 0.000 0.920 235 M CB 1.806 34.456 32.600 0.083 0.000 1.541 235 M HN 0.510 nan 8.290 nan 0.000 0.429 236 G N 1.958 110.833 108.800 0.125 0.000 2.468 236 G HA2 0.607 4.567 3.960 0.001 0.000 0.320 236 G HA3 0.607 4.567 3.960 0.001 0.000 0.320 236 G C -0.197 174.693 174.900 -0.017 0.000 1.137 236 G CA -0.503 44.592 45.100 -0.008 0.000 0.984 236 G HN 0.823 nan 8.290 nan 0.000 0.462 237 G N 0.643 109.419 108.800 -0.040 0.000 2.332 237 G HA2 0.670 4.630 3.960 0.001 0.000 0.310 237 G HA3 0.670 4.630 3.960 0.001 0.000 0.310 237 G C -0.009 174.880 174.900 -0.017 0.000 1.123 237 G CA 0.032 45.137 45.100 0.008 0.000 0.873 237 G HN 0.961 nan 8.290 nan 0.000 0.460 238 A N 2.225 125.048 122.820 0.005 0.000 2.312 238 A HA 0.856 5.177 4.320 0.001 0.000 0.328 238 A C 0.036 177.665 177.584 0.075 0.000 1.158 238 A CA -0.687 51.323 52.037 -0.045 0.000 0.821 238 A CB 1.047 19.859 19.000 -0.314 0.000 1.170 238 A HN 0.875 nan 8.150 nan 0.000 0.490 239 E N 1.709 121.965 120.200 0.093 0.000 2.390 239 E HA 0.529 4.879 4.350 0.001 0.000 0.277 239 E C -1.682 175.020 176.600 0.170 0.000 0.939 239 E CA -0.921 55.587 56.400 0.180 0.000 0.769 239 E CB 1.017 30.833 29.700 0.193 0.000 1.251 239 E HN 0.358 nan 8.360 nan 0.000 0.450 240 L N 2.502 123.873 121.223 0.247 0.000 2.350 240 L HA 0.250 4.591 4.340 0.001 0.000 0.275 240 L C 0.875 177.793 176.870 0.080 0.000 1.099 240 L CA -0.155 54.793 54.840 0.180 0.000 0.808 240 L CB 1.193 43.373 42.059 0.202 0.000 1.149 240 L HN 0.882 nan 8.230 nan 0.000 0.442 241 S N 1.295 116.988 115.700 -0.012 0.000 2.580 241 S HA 0.003 4.473 4.470 0.001 0.000 0.261 241 S C 0.744 175.431 174.600 0.145 0.000 1.366 241 S CA -0.457 57.710 58.200 -0.055 0.000 0.996 241 S CB 0.743 64.008 63.200 0.108 0.000 0.902 241 S HN 0.563 nan 8.310 nan 0.000 0.566 242 D N 0.974 121.550 120.400 0.295 0.000 2.183 242 D HA -0.049 4.591 4.640 0.001 0.000 0.203 242 D C 1.175 177.639 176.300 0.273 0.000 0.969 242 D CA 1.424 55.614 54.000 0.316 0.000 0.842 242 D CB -0.445 40.496 40.800 0.235 0.000 0.957 242 D HN 0.862 nan 8.370 nan 0.000 0.484 243 D N -1.156 119.334 120.400 0.150 0.000 2.328 243 D HA 0.127 4.767 4.640 0.001 0.000 0.226 243 D C 1.567 177.883 176.300 0.027 0.000 1.066 243 D CA 0.669 54.741 54.000 0.121 0.000 0.861 243 D CB -0.150 40.698 40.800 0.080 0.000 0.912 243 D HN 0.168 nan 8.370 nan 0.000 0.521 244 G N 1.012 109.641 108.800 -0.285 0.000 2.212 244 G HA2 -0.470 3.491 3.960 0.001 0.000 0.266 244 G HA3 -0.470 3.491 3.960 0.001 0.000 0.266 244 G C 1.232 176.017 174.900 -0.192 0.000 0.978 244 G CA 0.474 45.182 45.100 -0.655 0.000 0.632 244 G HN 0.516 nan 8.290 nan 0.000 0.537 245 R N -0.772 119.685 120.500 -0.071 0.000 2.119 245 R HA 0.232 4.572 4.340 0.001 0.000 0.222 245 R C 0.245 176.414 176.300 -0.219 0.000 1.088 245 R CA 0.914 56.922 56.100 -0.154 0.000 0.984 245 R CB -0.025 30.130 30.300 -0.241 0.000 0.884 245 R HN 0.430 nan 8.270 nan 0.000 0.447 246 Y N -0.729 119.629 120.300 0.096 0.000 2.446 246 Y HA 0.362 4.912 4.550 0.001 0.000 0.345 246 Y C -0.507 175.466 175.900 0.122 0.000 0.984 246 Y CA -1.206 56.987 58.100 0.155 0.000 1.058 246 Y CB 2.088 40.696 38.460 0.247 0.000 1.220 246 Y HN -0.339 nan 8.280 nan 0.000 0.455 247 V N 5.102 125.187 119.914 0.285 0.000 2.406 247 V HA 0.270 4.390 4.120 0.001 0.000 0.272 247 V C -0.117 176.179 176.094 0.337 0.000 1.043 247 V CA -0.697 61.734 62.300 0.217 0.000 0.915 247 V CB 0.491 32.360 31.823 0.076 0.000 0.988 247 V HN 0.537 nan 8.190 nan 0.000 0.466 248 L N 5.845 127.206 121.223 0.231 0.000 2.289 248 L HA 0.571 4.911 4.340 0.001 0.000 0.285 248 L C -0.511 176.443 176.870 0.140 0.000 1.049 248 L CA -0.579 54.397 54.840 0.227 0.000 0.804 248 L CB 1.398 43.548 42.059 0.151 0.000 1.195 248 L HN 0.455 nan 8.230 nan 0.000 0.428 249 L N 2.653 123.922 121.223 0.076 0.000 2.298 249 L HA 0.441 4.782 4.340 0.001 0.000 0.284 249 L C -0.327 176.410 176.870 -0.223 0.000 1.013 249 L CA 0.278 55.009 54.840 -0.182 0.000 0.824 249 L CB 1.629 43.317 42.059 -0.618 0.000 1.221 249 L HN 0.499 nan 8.230 nan 0.000 0.418 250 S N 6.463 122.065 115.700 -0.163 0.000 2.422 250 S HA 0.598 5.069 4.470 0.001 0.000 0.308 250 S C -0.147 174.292 174.600 -0.269 0.000 1.097 250 S CA -0.336 57.767 58.200 -0.163 0.000 1.099 250 S CB 0.370 63.556 63.200 -0.024 0.000 0.976 250 S HN 0.494 nan 8.310 nan 0.000 0.471 251 I N 4.087 124.403 120.570 -0.423 0.000 2.336 251 I HA 0.444 4.614 4.170 0.001 0.000 0.292 251 I C 0.448 176.396 176.117 -0.281 0.000 0.991 251 I CA -0.489 60.493 61.300 -0.529 0.000 1.227 251 I CB 1.028 38.415 38.000 -1.023 0.000 1.366 251 I HN 0.344 nan 8.210 nan 0.000 0.466 252 R N 4.552 124.900 120.500 -0.254 0.000 2.832 252 R HA 0.600 4.940 4.340 0.001 0.000 0.271 252 R C -0.836 175.222 176.300 -0.403 0.000 0.996 252 R CA -0.921 55.029 56.100 -0.249 0.000 0.977 252 R CB 2.593 32.798 30.300 -0.159 0.000 1.168 252 R HN 0.559 nan 8.270 nan 0.000 0.482 253 E N 0.763 120.588 120.200 -0.624 0.000 2.432 253 E HA 0.349 4.699 4.350 0.001 0.000 0.272 253 E C -0.621 175.772 176.600 -0.343 0.000 0.937 253 E CA -0.130 55.989 56.400 -0.468 0.000 0.812 253 E CB 1.012 30.295 29.700 -0.694 0.000 1.377 253 E HN 0.859 nan 8.360 nan 0.000 0.399 254 G N 1.581 110.305 108.800 -0.126 0.000 2.587 254 G HA2 -0.244 3.716 3.960 0.001 0.000 0.212 254 G HA3 -0.244 3.716 3.960 0.001 0.000 0.212 254 G C 0.341 175.227 174.900 -0.023 0.000 1.327 254 G CA -0.279 44.800 45.100 -0.035 0.000 0.898 254 G HN 0.582 nan 8.290 nan 0.000 0.551 255 C N 0.744 120.089 119.300 0.075 0.000 3.183 255 C HA 0.377 4.838 4.460 0.001 0.000 0.285 255 C C 0.682 175.725 174.990 0.088 0.000 1.313 255 C CA -0.384 58.709 59.018 0.125 0.000 1.711 255 C CB -0.988 26.966 27.740 0.357 0.000 2.135 255 C HN 0.634 nan 8.230 nan 0.000 0.651 256 D N 3.179 123.605 120.400 0.044 0.000 2.400 256 D HA 0.086 4.726 4.640 0.001 0.000 0.238 256 D C -1.973 174.344 176.300 0.027 0.000 1.157 256 D CA -0.726 53.313 54.000 0.065 0.000 0.889 256 D CB 0.469 41.288 40.800 0.032 0.000 1.199 256 D HN 0.191 nan 8.370 nan 0.000 0.436 257 P HA 0.062 nan 4.420 nan 0.000 0.244 257 P C -0.711 176.614 177.300 0.042 0.000 1.769 257 P CA -0.170 62.965 63.100 0.059 0.000 1.102 257 P CB -0.077 31.701 31.700 0.129 0.000 1.937 258 V N 0.452 120.380 119.914 0.022 0.000 3.178 258 V HA 0.779 4.899 4.120 0.001 0.000 0.302 258 V C -1.477 174.665 176.094 0.079 0.000 1.262 258 V CA -1.043 61.284 62.300 0.044 0.000 1.030 258 V CB 2.862 34.723 31.823 0.064 0.000 1.074 258 V HN 0.531 nan 8.190 nan 0.000 0.438 259 N N 0.632 119.422 118.700 0.149 0.000 2.745 259 N HA 0.391 5.131 4.740 0.001 0.000 0.256 259 N C -1.258 174.270 175.510 0.030 0.000 1.268 259 N CA -0.918 52.208 53.050 0.125 0.000 0.887 259 N CB 2.148 40.651 38.487 0.027 0.000 1.575 259 N HN 0.844 nan 8.380 nan 0.000 0.496 260 R N 0.057 120.404 120.500 -0.256 0.000 2.679 260 R HA 0.401 4.741 4.340 0.001 0.000 0.269 260 R C -0.525 175.578 176.300 -0.329 0.000 1.076 260 R CA -0.524 55.318 56.100 -0.430 0.000 1.160 260 R CB 0.602 30.420 30.300 -0.804 0.000 1.054 260 R HN 0.443 nan 8.270 nan 0.000 0.507 261 L N 2.963 124.046 121.223 -0.234 0.000 2.446 261 L HA 0.368 4.709 4.340 0.001 0.000 0.268 261 L C -1.774 175.148 176.870 0.087 0.000 0.975 261 L CA -0.344 54.415 54.840 -0.136 0.000 0.848 261 L CB 1.271 43.202 42.059 -0.213 0.000 1.225 261 L HN 0.653 nan 8.230 nan 0.000 0.410 262 W N 4.795 125.993 121.300 -0.169 0.000 2.639 262 W HA 0.561 5.221 4.660 0.001 0.000 0.347 262 W C -0.200 176.372 176.519 0.089 0.000 1.067 262 W CA -1.021 56.250 57.345 -0.123 0.000 1.218 262 W CB 1.113 30.461 29.460 -0.186 0.000 1.393 262 W HN 0.437 nan 8.180 nan 0.000 0.557 263 Y N -0.426 120.036 120.300 0.271 0.000 2.570 263 Y HA 0.722 5.272 4.550 0.001 0.000 0.345 263 Y C -0.883 175.216 175.900 0.333 0.000 1.014 263 Y CA -2.065 56.199 58.100 0.272 0.000 1.063 263 Y CB 1.440 39.856 38.460 -0.074 0.000 1.272 263 Y HN 0.449 nan 8.280 nan 0.000 0.477 264 C N 3.372 122.930 119.300 0.430 0.000 2.346 264 C HA 0.403 4.864 4.460 0.001 0.000 0.326 264 C C -0.845 174.287 174.990 0.238 0.000 1.224 264 C CA -0.626 58.427 59.018 0.058 0.000 1.408 264 C CB -0.145 27.301 27.740 -0.490 0.000 2.089 264 C HN 0.915 nan 8.230 nan 0.000 0.456 265 D N 4.633 125.177 120.400 0.239 0.000 2.344 265 D HA 0.131 4.771 4.640 0.001 0.000 0.253 265 D C 1.137 177.377 176.300 -0.099 0.000 1.255 265 D CA 0.054 54.059 54.000 0.008 0.000 0.894 265 D CB 0.603 41.455 40.800 0.086 0.000 1.067 265 D HN 0.715 nan 8.370 nan 0.000 0.492 266 L N 3.018 124.158 121.223 -0.138 0.000 2.191 266 L HA -0.179 4.161 4.340 0.001 0.000 0.212 266 L C 2.324 179.138 176.870 -0.093 0.000 1.103 266 L CA 0.780 55.560 54.840 -0.099 0.000 0.769 266 L CB -0.209 41.815 42.059 -0.058 0.000 0.908 266 L HN 0.465 nan 8.230 nan 0.000 0.438 267 Q N -0.273 119.459 119.800 -0.113 0.000 2.226 267 Q HA -0.194 4.147 4.340 0.001 0.000 0.204 267 Q C 1.693 177.661 176.000 -0.054 0.000 0.975 267 Q CA 0.939 56.697 55.803 -0.075 0.000 0.866 267 Q CB -0.046 28.645 28.738 -0.078 0.000 0.915 267 Q HN 0.580 nan 8.270 nan 0.000 0.440 268 Q N 0.382 120.148 119.800 -0.057 0.000 2.403 268 Q HA 0.044 4.385 4.340 0.001 0.000 0.203 268 Q C -0.179 175.786 176.000 -0.059 0.000 0.932 268 Q CA 0.372 56.150 55.803 -0.041 0.000 0.945 268 Q CB 0.471 29.199 28.738 -0.016 0.000 1.045 268 Q HN 0.268 nan 8.270 nan 0.000 0.511 269 E N 1.009 121.164 120.200 -0.075 0.000 2.180 269 E HA 0.081 4.431 4.350 0.001 0.000 0.283 269 E C 0.762 177.326 176.600 -0.060 0.000 1.061 269 E CA -0.036 56.313 56.400 -0.085 0.000 0.861 269 E CB 1.275 30.912 29.700 -0.106 0.000 1.056 269 E HN 0.066 nan 8.360 nan 0.000 0.407 270 S N 3.041 118.709 115.700 -0.053 0.000 2.383 270 S HA -0.179 4.291 4.470 0.001 0.000 0.229 270 S C 1.196 175.777 174.600 -0.033 0.000 1.030 270 S CA 1.137 59.315 58.200 -0.037 0.000 1.002 270 S CB 0.068 63.248 63.200 -0.033 0.000 0.829 270 S HN 0.362 nan 8.310 nan 0.000 0.467 271 N N 0.213 118.890 118.700 -0.039 0.000 2.305 271 N HA 0.338 5.079 4.740 0.001 0.000 0.248 271 N C 0.417 175.905 175.510 -0.037 0.000 1.290 271 N CA 0.643 53.674 53.050 -0.031 0.000 0.873 271 N CB 0.731 39.200 38.487 -0.029 0.000 1.261 271 N HN 0.435 nan 8.380 nan 0.000 0.504 272 G N 0.743 109.514 108.800 -0.049 0.000 2.642 272 G HA2 -0.271 3.690 3.960 0.001 0.000 0.231 272 G HA3 -0.271 3.690 3.960 0.001 0.000 0.231 272 G C -0.404 174.435 174.900 -0.102 0.000 1.338 272 G CA -0.383 44.678 45.100 -0.064 0.000 0.883 272 G HN 0.175 nan 8.290 nan 0.000 0.570 273 I N 2.070 122.548 120.570 -0.154 0.000 2.281 273 I HA 0.377 4.548 4.170 0.001 0.000 0.293 273 I C 1.520 177.574 176.117 -0.105 0.000 1.085 273 I CA 0.650 61.822 61.300 -0.213 0.000 1.257 273 I CB 1.058 38.729 38.000 -0.548 0.000 1.430 273 I HN 0.790 nan 8.210 nan 0.000 0.489 274 T N 0.401 114.918 114.554 -0.062 0.000 3.043 274 T HA 0.526 4.876 4.350 0.001 0.000 0.272 274 T C 0.515 175.217 174.700 0.003 0.000 0.990 274 T CA 0.082 62.173 62.100 -0.015 0.000 0.897 274 T CB 0.660 69.519 68.868 -0.016 0.000 1.111 274 T HN 0.633 nan 8.240 nan 0.000 0.529 275 G N 1.207 110.003 108.800 -0.008 0.000 2.510 275 G HA2 0.465 4.425 3.960 0.001 0.000 0.277 275 G HA3 0.465 4.425 3.960 0.001 0.000 0.277 275 G C -1.610 173.294 174.900 0.007 0.000 1.223 275 G CA -0.941 44.166 45.100 0.010 0.000 0.887 275 G HN 0.190 nan 8.290 nan 0.000 0.485 276 I N 2.205 122.784 120.570 0.014 0.000 2.668 276 I HA 0.148 4.318 4.170 0.001 0.000 0.285 276 I C 0.859 176.937 176.117 -0.064 0.000 1.168 276 I CA 0.245 61.572 61.300 0.044 0.000 1.424 276 I CB -0.060 37.982 38.000 0.070 0.000 1.377 276 I HN 0.237 nan 8.210 nan 0.000 0.560 277 L N 6.878 127.981 121.223 -0.199 0.000 2.464 277 L HA 0.159 4.500 4.340 0.001 0.000 0.264 277 L C 1.086 177.585 176.870 -0.620 0.000 1.199 277 L CA -0.542 53.953 54.840 -0.576 0.000 0.818 277 L CB 0.146 41.570 42.059 -1.059 0.000 1.102 277 L HN 0.463 nan 8.230 nan 0.000 0.473 278 K N 2.281 122.397 120.400 -0.475 0.000 2.121 278 K HA 0.057 4.378 4.320 0.001 0.000 0.235 278 K C -1.020 175.378 176.600 -0.338 0.000 1.200 278 K CA 0.001 56.100 56.287 -0.312 0.000 1.115 278 K CB -0.234 32.142 32.500 -0.207 0.000 1.474 278 K HN 0.314 nan 8.250 nan 0.000 0.295 279 W N 1.506 122.727 121.300 -0.133 0.000 2.251 279 W HA 0.059 4.720 4.660 0.001 0.000 0.327 279 W C 0.314 176.585 176.519 -0.414 0.000 1.361 279 W CA -0.780 56.446 57.345 -0.198 0.000 1.234 279 W CB 0.522 29.921 29.460 -0.101 0.000 1.212 279 W HN 0.035 nan 8.180 nan 0.000 0.557 280 V N 4.519 124.222 119.914 -0.351 0.000 2.370 280 V HA 0.174 4.294 4.120 0.001 0.000 0.279 280 V C 0.163 175.887 176.094 -0.617 0.000 1.029 280 V CA -1.368 60.545 62.300 -0.645 0.000 0.870 280 V CB 1.093 32.192 31.823 -1.207 0.000 0.984 280 V HN 0.408 nan 8.190 nan 0.000 0.451 281 K N 4.478 124.530 120.400 -0.581 0.000 2.333 281 K HA 0.183 4.503 4.320 0.001 0.000 0.241 281 K C 0.874 177.308 176.600 -0.277 0.000 1.193 281 K CA -0.325 55.587 56.287 -0.625 0.000 1.142 281 K CB 0.581 32.571 32.500 -0.849 0.000 1.731 281 K HN 0.538 nan 8.250 nan 0.000 0.344 282 L N 1.910 123.008 121.223 -0.208 0.000 1.970 282 L HA -0.103 4.237 4.340 0.001 0.000 0.212 282 L C 0.490 177.285 176.870 -0.125 0.000 1.071 282 L CA 1.865 56.612 54.840 -0.155 0.000 0.751 282 L CB 0.193 42.148 42.059 -0.173 0.000 0.889 282 L HN 0.384 nan 8.230 nan 0.000 0.432 283 I N 0.606 121.089 120.570 -0.144 0.000 2.382 283 I HA 0.223 4.394 4.170 0.001 0.000 0.285 283 I C -0.668 175.396 176.117 -0.089 0.000 1.007 283 I CA -0.219 60.963 61.300 -0.196 0.000 1.142 283 I CB 0.789 38.505 38.000 -0.473 0.000 1.289 283 I HN 0.114 nan 8.210 nan 0.000 0.453 284 D N 5.529 125.886 120.400 -0.072 0.000 3.008 284 D HA 0.219 4.860 4.640 0.001 0.000 0.312 284 D C -0.380 175.825 176.300 -0.158 0.000 1.361 284 D CA -0.112 53.870 54.000 -0.029 0.000 0.858 284 D CB 0.305 41.106 40.800 0.001 0.000 1.098 284 D HN 0.700 nan 8.370 nan 0.000 0.482 285 N N -2.044 116.494 118.700 -0.269 0.000 2.934 285 N HA 0.303 5.044 4.740 0.001 0.000 0.253 285 N C -1.088 174.188 175.510 -0.391 0.000 1.466 285 N CA -0.756 52.114 53.050 -0.300 0.000 0.858 285 N CB 0.224 38.660 38.487 -0.087 0.000 1.459 285 N HN -0.223 nan 8.380 nan 0.000 0.532 286 F N 0.042 119.951 119.950 -0.069 0.000 2.925 286 F HA 0.395 4.923 4.527 0.001 0.000 0.302 286 F C 1.113 176.896 175.800 -0.028 0.000 1.189 286 F CA -0.466 57.483 58.000 -0.085 0.000 1.346 286 F CB 0.134 39.063 39.000 -0.118 0.000 0.954 286 F HN 0.496 nan 8.300 nan 0.000 0.506 287 E N 0.059 120.345 120.200 0.143 0.000 2.385 287 E HA 0.203 4.554 4.350 0.001 0.000 0.194 287 E C 1.245 177.878 176.600 0.055 0.000 1.013 287 E CA 0.300 56.752 56.400 0.087 0.000 0.866 287 E CB 0.532 30.265 29.700 0.055 0.000 0.832 287 E HN 0.409 nan 8.360 nan 0.000 0.500 288 G N 0.598 109.472 108.800 0.123 0.000 2.692 288 G HA2 0.323 4.283 3.960 0.001 0.000 0.291 288 G HA3 0.323 4.283 3.960 0.001 0.000 0.291 288 G C -1.550 173.269 174.900 -0.134 0.000 1.423 288 G CA -0.701 44.374 45.100 -0.041 0.000 0.843 288 G HN -0.059 nan 8.290 nan 0.000 0.486 289 E N -0.639 119.363 120.200 -0.330 0.000 2.249 289 E HA 0.554 4.904 4.350 0.001 0.000 0.280 289 E C -1.425 174.796 176.600 -0.633 0.000 1.016 289 E CA -0.557 55.690 56.400 -0.255 0.000 0.830 289 E CB 0.851 30.526 29.700 -0.041 0.000 1.081 289 E HN 0.387 nan 8.360 nan 0.000 0.395 290 Y N 2.642 122.928 120.300 -0.024 0.000 2.333 290 Y HA 0.223 4.773 4.550 0.001 0.000 0.324 290 Y C -0.849 175.131 175.900 0.133 0.000 1.033 290 Y CA -1.119 56.913 58.100 -0.113 0.000 1.224 290 Y CB 1.443 39.569 38.460 -0.557 0.000 1.120 290 Y HN 0.439 nan 8.280 nan 0.000 0.457 291 D N 2.249 122.881 120.400 0.385 0.000 2.381 291 D HA 0.123 4.764 4.640 0.001 0.000 0.235 291 D C -1.022 175.603 176.300 0.541 0.000 1.068 291 D CA -0.655 53.582 54.000 0.395 0.000 0.832 291 D CB 0.610 41.539 40.800 0.215 0.000 1.101 291 D HN 0.377 nan 8.370 nan 0.000 0.515 292 Y N 3.999 124.551 120.300 0.420 0.000 2.620 292 Y HA 0.157 4.708 4.550 0.001 0.000 0.330 292 Y C 0.294 176.224 175.900 0.049 0.000 1.186 292 Y CA 0.318 58.521 58.100 0.173 0.000 1.467 292 Y CB 0.704 39.286 38.460 0.204 0.000 1.262 292 Y HN 0.283 nan 8.280 nan 0.000 0.550 293 V N 3.778 123.239 119.914 -0.756 0.000 2.721 293 V HA 0.182 4.303 4.120 0.001 0.000 0.236 293 V C 0.581 176.087 176.094 -0.981 0.000 1.116 293 V CA 1.192 63.118 62.300 -0.623 0.000 1.148 293 V CB 0.366 32.000 31.823 -0.315 0.000 0.886 293 V HN 0.842 nan 8.190 nan 0.000 0.490 294 T N 0.124 113.999 114.554 -1.131 0.000 2.658 294 T HA 0.378 4.728 4.350 0.001 0.000 0.305 294 T C -2.283 172.040 174.700 -0.628 0.000 1.551 294 T CA -0.461 61.128 62.100 -0.851 0.000 0.985 294 T CB 1.663 70.312 68.868 -0.365 0.000 1.731 294 T HN 0.536 nan 8.240 nan 0.000 0.486 295 N N 1.059 119.492 118.700 -0.446 0.000 2.396 295 N HA 0.407 5.148 4.740 0.001 0.000 0.275 295 N C -1.831 173.413 175.510 -0.443 0.000 1.218 295 N CA -0.725 51.871 53.050 -0.757 0.000 0.812 295 N CB 2.195 39.581 38.487 -1.836 0.000 1.592 295 N HN 0.526 nan 8.380 nan 0.000 0.480 296 E N 0.660 120.631 120.200 -0.382 0.000 2.235 296 E HA 0.409 4.759 4.350 0.001 0.000 0.252 296 E C 0.758 177.251 176.600 -0.180 0.000 0.886 296 E CA -0.250 56.025 56.400 -0.209 0.000 0.767 296 E CB 1.361 30.979 29.700 -0.137 0.000 1.205 296 E HN 0.968 nan 8.360 nan 0.000 0.421 297 G N 3.277 112.009 108.800 -0.113 0.000 2.583 297 G HA2 -0.409 3.551 3.960 0.001 0.000 0.292 297 G HA3 -0.409 3.551 3.960 0.001 0.000 0.292 297 G C 0.896 175.761 174.900 -0.057 0.000 1.203 297 G CA 0.749 45.834 45.100 -0.024 0.000 0.987 297 G HN 0.567 nan 8.290 nan 0.000 0.554 298 T N -1.465 113.083 114.554 -0.010 0.000 3.129 298 T HA 0.443 4.794 4.350 0.001 0.000 0.251 298 T C 0.737 175.359 174.700 -0.130 0.000 1.117 298 T CA 0.908 62.984 62.100 -0.040 0.000 1.034 298 T CB 0.163 69.080 68.868 0.081 0.000 0.968 298 T HN 1.031 nan 8.240 nan 0.000 0.526 299 V N 2.652 122.466 119.914 -0.166 0.000 2.334 299 V HA 0.424 4.544 4.120 0.001 0.000 0.267 299 V C -0.616 175.288 176.094 -0.316 0.000 1.040 299 V CA -0.962 61.259 62.300 -0.132 0.000 0.866 299 V CB -0.492 31.282 31.823 -0.081 0.000 1.019 299 V HN 0.314 nan 8.190 nan 0.000 0.468 300 F N 2.465 122.163 119.950 -0.420 0.000 2.410 300 F HA 0.460 4.988 4.527 0.001 0.000 0.349 300 F C 0.978 176.544 175.800 -0.390 0.000 1.117 300 F CA -0.290 57.425 58.000 -0.475 0.000 1.104 300 F CB 1.668 40.304 39.000 -0.606 0.000 1.122 300 F HN 0.324 nan 8.300 nan 0.000 0.483 301 T N 4.964 119.279 114.554 -0.399 0.000 2.767 301 T HA 0.524 4.874 4.350 0.001 0.000 0.288 301 T C -0.795 173.650 174.700 -0.424 0.000 0.963 301 T CA -0.192 61.737 62.100 -0.285 0.000 1.019 301 T CB 0.148 68.864 68.868 -0.253 0.000 0.923 301 T HN 0.153 nan 8.240 nan 0.000 0.468 302 F N 1.651 121.623 119.950 0.036 0.000 2.546 302 F HA 0.498 5.025 4.527 0.001 0.000 0.320 302 F C 0.439 176.257 175.800 0.030 0.000 1.076 302 F CA -1.267 56.777 58.000 0.072 0.000 0.928 302 F CB 1.795 40.883 39.000 0.146 0.000 1.189 302 F HN 0.281 nan 8.300 nan 0.000 0.465 303 K N 1.399 121.940 120.400 0.236 0.000 2.234 303 K HA 0.499 4.820 4.320 0.001 0.000 0.282 303 K C -0.636 176.053 176.600 0.149 0.000 1.039 303 K CA 0.034 56.413 56.287 0.152 0.000 0.928 303 K CB 1.131 33.690 32.500 0.098 0.000 1.039 303 K HN 0.780 nan 8.250 nan 0.000 0.470 304 T N 1.575 116.185 114.554 0.092 0.000 2.883 304 T HA 0.274 4.624 4.350 0.001 0.000 0.296 304 T C -0.420 174.201 174.700 -0.133 0.000 1.117 304 T CA -0.828 61.207 62.100 -0.107 0.000 1.006 304 T CB 0.840 69.553 68.868 -0.257 0.000 1.191 304 T HN 0.780 nan 8.240 nan 0.000 0.508 305 N N 0.959 119.444 118.700 -0.358 0.000 2.200 305 N HA 0.158 4.898 4.740 0.001 0.000 0.224 305 N C 0.127 175.440 175.510 -0.328 0.000 1.179 305 N CA -0.534 52.176 53.050 -0.567 0.000 0.877 305 N CB -0.068 37.826 38.487 -0.989 0.000 1.072 305 N HN 0.314 nan 8.380 nan 0.000 0.519 306 R N 1.467 121.814 120.500 -0.256 0.000 2.507 306 R HA -0.021 4.319 4.340 0.001 0.000 0.341 306 R C -0.459 175.807 176.300 -0.057 0.000 0.960 306 R CA 0.525 56.528 56.100 -0.162 0.000 1.032 306 R CB -1.707 28.625 30.300 0.054 0.000 0.933 306 R HN 0.494 nan 8.270 nan 0.000 0.418 307 H N 1.084 120.146 119.070 -0.014 0.000 2.861 307 H HA -0.201 4.356 4.556 0.001 0.000 0.289 307 H C -0.890 174.424 175.328 -0.022 0.000 1.176 307 H CA 1.425 57.469 56.048 -0.008 0.000 1.146 307 H CB -1.193 28.581 29.762 0.020 0.000 1.330 307 H HN 0.639 nan 8.280 nan 0.000 0.379 308 S N -1.843 113.849 115.700 -0.015 0.000 2.413 308 S HA 0.219 4.690 4.470 0.001 0.000 0.170 308 S C -2.113 172.380 174.600 -0.178 0.000 1.294 308 S CA -1.019 57.155 58.200 -0.042 0.000 1.201 308 S CB 1.928 65.120 63.200 -0.012 0.000 1.328 308 S HN -0.108 nan 8.310 nan 0.000 0.418 309 P HA -0.076 nan 4.420 nan 0.000 0.219 309 P C 0.587 177.846 177.300 -0.068 0.000 1.146 309 P CA 1.158 64.182 63.100 -0.126 0.000 0.808 309 P CB -0.037 31.665 31.700 0.002 0.000 0.779 310 N N -1.985 116.746 118.700 0.052 0.000 2.336 310 N HA 0.017 4.758 4.740 0.001 0.000 0.189 310 N C -0.291 175.437 175.510 0.364 0.000 1.113 310 N CA 0.080 53.272 53.050 0.237 0.000 0.858 310 N CB -0.441 38.189 38.487 0.238 0.000 0.970 310 N HN 0.152 nan 8.380 nan 0.000 0.471 311 Y N -0.174 120.157 120.300 0.051 0.000 2.515 311 Y HA -0.323 4.227 4.550 0.001 0.000 0.021 311 Y C 0.604 176.526 175.900 0.037 0.000 1.710 311 Y CA -0.131 57.979 58.100 0.016 0.000 1.413 311 Y CB -0.525 37.917 38.460 -0.029 0.000 2.059 311 Y HN 0.242 nan 8.280 nan 0.000 0.255 312 R N 0.601 121.197 120.500 0.161 0.000 2.762 312 R HA 0.908 5.249 4.340 0.001 0.000 0.271 312 R C -2.168 174.190 176.300 0.095 0.000 1.038 312 R CA -1.352 54.820 56.100 0.120 0.000 0.906 312 R CB 1.572 31.942 30.300 0.117 0.000 1.259 312 R HN 0.504 nan 8.270 nan 0.000 0.457 313 L N 2.172 123.440 121.223 0.076 0.000 2.322 313 L HA 0.608 4.949 4.340 0.001 0.000 0.281 313 L C -0.205 176.728 176.870 0.105 0.000 1.014 313 L CA -1.012 53.870 54.840 0.070 0.000 0.815 313 L CB 1.650 43.717 42.059 0.013 0.000 1.247 313 L HN 0.578 nan 8.230 nan 0.000 0.421 314 I N -0.453 120.199 120.570 0.136 0.000 2.846 314 I HA 0.593 4.764 4.170 0.001 0.000 0.307 314 I C -0.802 175.392 176.117 0.129 0.000 1.053 314 I CA -0.857 60.536 61.300 0.155 0.000 1.050 314 I CB 2.050 40.167 38.000 0.196 0.000 1.239 314 I HN 0.351 nan 8.210 nan 0.000 0.439 315 N N 4.323 123.093 118.700 0.117 0.000 2.424 315 N HA 0.579 5.319 4.740 0.001 0.000 0.271 315 N C -1.119 174.439 175.510 0.080 0.000 0.985 315 N CA -0.267 52.834 53.050 0.085 0.000 0.921 315 N CB 1.990 40.518 38.487 0.068 0.000 1.149 315 N HN 0.573 nan 8.380 nan 0.000 0.492 316 I N 0.926 121.543 120.570 0.078 0.000 2.339 316 I HA 0.155 4.325 4.170 0.001 0.000 0.290 316 I C -0.047 176.191 176.117 0.202 0.000 0.994 316 I CA -0.769 60.549 61.300 0.030 0.000 1.191 316 I CB 1.369 39.316 38.000 -0.087 0.000 1.343 316 I HN 0.234 nan 8.210 nan 0.000 0.458 317 D N 6.426 126.965 120.400 0.230 0.000 2.347 317 D HA 0.131 4.771 4.640 0.001 0.000 0.235 317 D C 0.914 177.418 176.300 0.339 0.000 1.149 317 D CA -0.258 53.868 54.000 0.210 0.000 0.850 317 D CB 0.738 41.644 40.800 0.177 0.000 1.061 317 D HN 0.230 nan 8.370 nan 0.000 0.487 318 F N 1.560 121.535 119.950 0.042 0.000 2.287 318 F HA -0.159 4.369 4.527 0.001 0.000 0.301 318 F C 2.522 178.380 175.800 0.097 0.000 1.069 318 F CA 1.302 59.291 58.000 -0.019 0.000 1.372 318 F CB -1.439 37.371 39.000 -0.316 0.000 1.056 318 F HN 0.441 nan 8.300 nan 0.000 0.523 319 T N -4.003 110.720 114.554 0.283 0.000 3.107 319 T HA 0.068 4.418 4.350 0.001 0.000 0.249 319 T C 0.341 175.147 174.700 0.177 0.000 1.096 319 T CA 0.393 62.618 62.100 0.209 0.000 1.012 319 T CB -0.029 68.939 68.868 0.167 0.000 0.977 319 T HN 0.031 nan 8.240 nan 0.000 0.527 320 D N 1.499 122.020 120.400 0.202 0.000 2.968 320 D HA 0.267 4.907 4.640 0.001 0.000 0.301 320 D C -2.249 174.194 176.300 0.239 0.000 1.226 320 D CA -1.584 52.525 54.000 0.182 0.000 0.746 320 D CB 1.264 42.158 40.800 0.156 0.000 1.278 320 D HN 0.092 nan 8.370 nan 0.000 0.544 321 P HA 0.094 nan 4.420 nan 0.000 0.253 321 P C 0.011 177.537 177.300 0.377 0.000 1.260 321 P CA 0.013 63.321 63.100 0.348 0.000 0.800 321 P CB 0.419 32.271 31.700 0.254 0.000 1.162 322 E N 0.652 120.967 120.200 0.191 0.000 2.373 322 E HA -0.012 4.338 4.350 0.001 0.000 0.267 322 E C 1.186 177.657 176.600 -0.215 0.000 1.032 322 E CA -0.098 56.315 56.400 0.023 0.000 0.889 322 E CB 0.784 30.476 29.700 -0.013 0.000 0.984 322 E HN 0.139 nan 8.360 nan 0.000 0.425 323 E N 1.588 121.443 120.200 -0.575 0.000 2.085 323 E HA -0.236 4.115 4.350 0.001 0.000 0.194 323 E C 1.688 177.801 176.600 -0.813 0.000 0.994 323 E CA 1.563 57.118 56.400 -1.409 0.000 0.801 323 E CB 0.072 29.082 29.700 -1.150 0.000 0.743 323 E HN 0.555 nan 8.360 nan 0.000 0.453 324 S N -0.100 115.376 115.700 -0.373 0.000 2.493 324 S HA -0.092 4.379 4.470 0.001 0.000 0.243 324 S C 1.517 176.076 174.600 -0.068 0.000 0.991 324 S CA 0.719 58.814 58.200 -0.174 0.000 0.957 324 S CB -0.025 63.113 63.200 -0.103 0.000 0.756 324 S HN 0.092 nan 8.310 nan 0.000 0.521 325 K N -0.051 120.326 120.400 -0.040 0.000 2.379 325 K HA 0.187 4.508 4.320 0.001 0.000 0.194 325 K C -0.050 176.723 176.600 0.288 0.000 1.031 325 K CA -0.254 56.104 56.287 0.120 0.000 1.037 325 K CB -0.257 32.336 32.500 0.154 0.000 0.824 325 K HN 0.464 nan 8.250 nan 0.000 0.516 326 W N 3.030 124.392 121.300 0.103 0.000 2.231 326 W HA 0.019 4.680 4.660 0.001 0.000 0.341 326 W C 0.697 177.282 176.519 0.110 0.000 1.298 326 W CA -0.592 56.829 57.345 0.127 0.000 1.266 326 W CB 0.038 29.588 29.460 0.151 0.000 1.172 326 W HN -0.254 nan 8.180 nan 0.000 0.568 327 K N 2.167 122.764 120.400 0.329 0.000 2.159 327 K HA 0.421 4.741 4.320 0.001 0.000 0.266 327 K C -0.696 176.024 176.600 0.201 0.000 0.975 327 K CA -1.101 55.314 56.287 0.214 0.000 0.865 327 K CB 1.713 34.304 32.500 0.152 0.000 1.087 327 K HN 0.111 nan 8.250 nan 0.000 0.446 328 V N 4.839 124.854 119.914 0.167 0.000 2.353 328 V HA 0.023 4.143 4.120 0.001 0.000 0.264 328 V C 1.362 177.524 176.094 0.112 0.000 1.049 328 V CA -0.295 62.095 62.300 0.149 0.000 0.896 328 V CB 0.674 32.580 31.823 0.138 0.000 1.025 328 V HN 0.624 nan 8.190 nan 0.000 0.475 329 L N 6.467 127.751 121.223 0.100 0.000 2.068 329 L HA 0.211 4.551 4.340 0.001 0.000 0.204 329 L C 0.741 177.657 176.870 0.077 0.000 1.076 329 L CA 1.901 56.787 54.840 0.077 0.000 0.753 329 L CB 0.473 42.564 42.059 0.054 0.000 0.910 329 L HN 0.430 nan 8.230 nan 0.000 0.439 330 V N 1.093 121.050 119.914 0.072 0.000 2.398 330 V HA 0.384 4.504 4.120 0.001 0.000 0.282 330 V C -2.307 173.847 176.094 0.100 0.000 1.014 330 V CA -1.499 60.848 62.300 0.078 0.000 0.838 330 V CB 1.056 32.890 31.823 0.017 0.000 1.018 330 V HN 0.081 nan 8.190 nan 0.000 0.432 331 P HA 0.066 nan 4.420 nan 0.000 0.269 331 P C 0.003 177.386 177.300 0.137 0.000 1.217 331 P CA -0.099 63.067 63.100 0.109 0.000 0.783 331 P CB 0.662 32.413 31.700 0.084 0.000 0.898 332 E N 1.336 121.612 120.200 0.127 0.000 2.384 332 E HA -0.055 4.295 4.350 0.001 0.000 0.266 332 E C -0.078 176.620 176.600 0.163 0.000 1.012 332 E CA -0.141 56.352 56.400 0.156 0.000 0.901 332 E CB 0.273 30.041 29.700 0.112 0.000 0.967 332 E HN 0.447 nan 8.360 nan 0.000 0.435 333 H N 3.704 122.853 119.070 0.132 0.000 2.615 333 H HA 0.016 4.573 4.556 0.001 0.000 0.363 333 H C 0.623 175.995 175.328 0.073 0.000 1.148 333 H CA 0.431 56.526 56.048 0.079 0.000 1.401 333 H CB 1.128 30.925 29.762 0.058 0.000 1.461 333 H HN 0.751 nan 8.280 nan 0.000 0.588 334 E N 2.494 122.493 120.200 -0.334 0.000 2.160 334 E HA -0.192 4.158 4.350 0.001 0.000 0.195 334 E C 1.339 177.995 176.600 0.093 0.000 0.991 334 E CA 1.297 57.625 56.400 -0.120 0.000 0.810 334 E CB 0.437 30.010 29.700 -0.212 0.000 0.742 334 E HN 0.541 nan 8.360 nan 0.000 0.466 335 K N -0.236 120.386 120.400 0.371 0.000 2.665 335 K HA 0.013 4.334 4.320 0.001 0.000 0.197 335 K C -0.590 176.201 176.600 0.318 0.000 1.463 335 K CA -0.072 56.405 56.287 0.317 0.000 1.107 335 K CB 0.754 33.393 32.500 0.230 0.000 1.584 335 K HN -0.139 nan 8.250 nan 0.000 0.558 336 D N 2.036 122.626 120.400 0.318 0.000 2.425 336 D HA 0.067 4.708 4.640 0.001 0.000 0.247 336 D C -0.596 175.847 176.300 0.238 0.000 1.147 336 D CA 0.062 54.116 54.000 0.090 0.000 0.879 336 D CB 1.619 42.230 40.800 -0.314 0.000 1.179 336 D HN -0.104 nan 8.370 nan 0.000 0.456 337 V N 3.203 123.218 119.914 0.168 0.000 2.432 337 V HA 0.057 4.177 4.120 0.001 0.000 0.275 337 V C 0.286 176.398 176.094 0.031 0.000 1.043 337 V CA -0.835 61.547 62.300 0.137 0.000 0.925 337 V CB 1.305 33.142 31.823 0.024 0.000 0.985 337 V HN 0.341 nan 8.190 nan 0.000 0.466 338 L N 5.441 126.609 121.223 -0.090 0.000 2.385 338 L HA 0.268 4.609 4.340 0.001 0.000 0.281 338 L C 1.157 177.752 176.870 -0.459 0.000 1.106 338 L CA 0.814 55.322 54.840 -0.554 0.000 0.856 338 L CB 0.177 41.957 42.059 -0.465 0.000 1.186 338 L HN 0.712 nan 8.230 nan 0.000 0.453 339 E N 5.463 125.368 120.200 -0.492 0.000 2.086 339 E HA 0.036 4.386 4.350 0.001 0.000 0.190 339 E C -0.593 175.893 176.600 -0.191 0.000 0.975 339 E CA 1.003 57.198 56.400 -0.343 0.000 0.813 339 E CB 0.277 29.839 29.700 -0.229 0.000 0.768 339 E HN 0.752 nan 8.360 nan 0.000 0.457 340 W N -1.323 119.792 121.300 -0.308 0.000 3.059 340 W HA 0.557 5.217 4.660 0.001 0.000 0.329 340 W C -1.735 174.619 176.519 -0.276 0.000 1.246 340 W CA -0.774 56.419 57.345 -0.255 0.000 1.190 340 W CB 0.687 30.029 29.460 -0.196 0.000 1.423 340 W HN -0.400 nan 8.180 nan 0.000 0.571 341 V N 1.210 121.237 119.914 0.189 0.000 2.777 341 V HA 0.758 4.878 4.120 0.001 0.000 0.306 341 V C -0.376 175.805 176.094 0.146 0.000 1.112 341 V CA -0.626 61.687 62.300 0.021 0.000 0.917 341 V CB 1.114 32.886 31.823 -0.085 0.000 1.018 341 V HN 0.910 nan 8.190 nan 0.000 0.426 342 A N 2.499 125.385 122.820 0.111 0.000 2.401 342 A HA 0.830 5.150 4.320 0.001 0.000 0.310 342 A C -0.682 176.966 177.584 0.107 0.000 1.075 342 A CA -0.499 51.599 52.037 0.102 0.000 0.746 342 A CB 1.762 20.816 19.000 0.090 0.000 1.277 342 A HN 1.113 nan 8.150 nan 0.000 0.425 343 C N 1.875 121.236 119.300 0.101 0.000 2.355 343 C HA 0.830 5.290 4.460 0.001 0.000 0.332 343 C C -0.310 174.789 174.990 0.182 0.000 1.255 343 C CA -0.125 58.955 59.018 0.103 0.000 1.792 343 C CB 0.071 27.808 27.740 -0.004 0.000 2.300 343 C HN 1.097 nan 8.230 nan 0.000 0.515 344 V N 6.756 126.806 119.914 0.227 0.000 3.049 344 V HA 0.671 4.791 4.120 0.001 0.000 0.309 344 V C 0.269 176.490 176.094 0.211 0.000 1.148 344 V CA -0.561 61.889 62.300 0.249 0.000 0.990 344 V CB 1.767 33.793 31.823 0.340 0.000 1.039 344 V HN 1.060 nan 8.190 nan 0.000 0.430 345 R N 3.549 124.137 120.500 0.147 0.000 3.333 345 R HA -0.212 4.128 4.340 0.001 0.000 0.256 345 R C 0.961 177.222 176.300 -0.065 0.000 1.010 345 R CA 0.882 57.016 56.100 0.055 0.000 0.680 345 R CB -1.462 28.899 30.300 0.102 0.000 1.102 345 R HN 1.396 nan 8.270 nan 0.000 0.440 346 S N -1.587 114.100 115.700 -0.021 0.000 1.832 346 S HA -0.341 4.129 4.470 0.001 0.000 0.231 346 S C 0.654 175.213 174.600 -0.068 0.000 0.901 346 S CA 2.161 60.331 58.200 -0.051 0.000 1.687 346 S CB -0.959 62.194 63.200 -0.079 0.000 1.858 346 S HN 0.862 nan 8.310 nan 0.000 0.523 347 N N 1.038 119.645 118.700 -0.155 0.000 2.299 347 N HA 0.390 5.131 4.740 0.001 0.000 0.246 347 N C -0.849 174.631 175.510 -0.049 0.000 1.254 347 N CA -0.191 52.782 53.050 -0.128 0.000 0.879 347 N CB -0.110 38.278 38.487 -0.165 0.000 1.214 347 N HN 0.386 nan 8.380 nan 0.000 0.510 348 F N 0.722 120.700 119.950 0.048 0.000 2.470 348 F HA 0.601 5.128 4.527 0.001 0.000 0.329 348 F C 0.313 176.156 175.800 0.073 0.000 1.072 348 F CA -1.465 56.579 58.000 0.072 0.000 0.989 348 F CB 1.349 40.412 39.000 0.104 0.000 1.193 348 F HN -0.185 nan 8.300 nan 0.000 0.481 349 L N 2.405 123.806 121.223 0.298 0.000 2.365 349 L HA 0.648 4.989 4.340 0.001 0.000 0.273 349 L C -1.031 175.920 176.870 0.136 0.000 1.000 349 L CA -1.036 53.901 54.840 0.160 0.000 0.819 349 L CB 2.125 44.223 42.059 0.065 0.000 1.284 349 L HN 0.170 nan 8.230 nan 0.000 0.418 350 V N 4.375 124.343 119.914 0.090 0.000 2.394 350 V HA 0.446 4.566 4.120 0.001 0.000 0.282 350 V C -0.040 175.936 176.094 -0.196 0.000 1.031 350 V CA -0.407 61.911 62.300 0.030 0.000 0.881 350 V CB 1.683 33.543 31.823 0.062 0.000 0.982 350 V HN 0.466 nan 8.190 nan 0.000 0.451 351 L N 4.501 125.563 121.223 -0.269 0.000 2.362 351 L HA 0.517 4.858 4.340 0.001 0.000 0.275 351 L C -0.521 175.954 176.870 -0.659 0.000 0.998 351 L CA -0.274 54.259 54.840 -0.513 0.000 0.820 351 L CB 1.878 43.670 42.059 -0.444 0.000 1.270 351 L HN 0.703 nan 8.230 nan 0.000 0.415 352 C N 3.918 122.559 119.300 -1.097 0.000 2.281 352 C HA 0.572 5.032 4.460 0.001 0.000 0.323 352 C C -0.240 174.300 174.990 -0.750 0.000 1.270 352 C CA -0.383 58.026 59.018 -1.014 0.000 1.559 352 C CB -0.341 26.303 27.740 -1.827 0.000 2.239 352 C HN 0.619 nan 8.230 nan 0.000 0.488 353 Y N 3.891 123.979 120.300 -0.354 0.000 2.453 353 Y HA 0.632 5.182 4.550 0.001 0.000 0.326 353 Y C 0.101 175.901 175.900 -0.166 0.000 1.186 353 Y CA -0.738 57.218 58.100 -0.240 0.000 1.200 353 Y CB 1.094 39.437 38.460 -0.195 0.000 1.247 353 Y HN 0.493 nan 8.280 nan 0.000 0.482 354 L N 2.730 123.973 121.223 0.033 0.000 2.265 354 L HA 0.302 4.642 4.340 0.001 0.000 0.289 354 L C -1.132 175.759 176.870 0.035 0.000 1.033 354 L CA -0.411 54.433 54.840 0.007 0.000 0.814 354 L CB 0.113 42.127 42.059 -0.075 0.000 1.203 354 L HN 0.646 nan 8.230 nan 0.000 0.423 355 H N 4.167 123.218 119.070 -0.032 0.000 2.638 355 H HA 0.321 4.878 4.556 0.001 0.000 0.317 355 H C -0.489 174.848 175.328 0.015 0.000 1.006 355 H CA -0.414 55.613 56.048 -0.034 0.000 1.222 355 H CB 0.498 30.230 29.762 -0.050 0.000 1.419 355 H HN 0.676 nan 8.280 nan 0.000 0.489 356 D N 4.628 124.804 120.400 -0.374 0.000 2.692 356 D HA -0.183 4.457 4.640 0.001 0.000 0.233 356 D C 0.307 176.569 176.300 -0.062 0.000 1.172 356 D CA 1.250 55.156 54.000 -0.156 0.000 0.636 356 D CB -1.123 39.640 40.800 -0.063 0.000 1.028 356 D HN 0.617 nan 8.370 nan 0.000 0.419 357 V N -2.889 116.942 119.914 -0.139 0.000 4.294 357 V HA -0.356 3.764 4.120 0.001 0.000 0.246 357 V C 0.568 176.782 176.094 0.200 0.000 0.416 357 V CA 1.897 64.200 62.300 0.004 0.000 0.887 357 V CB -1.975 29.849 31.823 0.002 0.000 0.922 357 V HN 0.515 nan 8.190 nan 0.000 1.323 358 K N 0.119 120.612 120.400 0.155 0.000 2.371 358 K HA 0.638 4.959 4.320 0.001 0.000 0.251 358 K C -0.334 176.344 176.600 0.131 0.000 0.934 358 K CA -0.736 55.656 56.287 0.175 0.000 0.798 358 K CB 1.940 34.584 32.500 0.240 0.000 1.204 358 K HN 0.314 nan 8.250 nan 0.000 0.427 359 N N 0.774 119.546 118.700 0.120 0.000 2.529 359 N HA 0.227 4.967 4.740 0.001 0.000 0.278 359 N C -0.808 174.760 175.510 0.096 0.000 1.146 359 N CA -0.147 52.958 53.050 0.091 0.000 0.980 359 N CB 0.981 39.526 38.487 0.096 0.000 1.124 359 N HN 0.593 nan 8.380 nan 0.000 0.458 360 T N -0.785 113.797 114.554 0.047 0.000 2.924 360 T HA 0.555 4.905 4.350 0.001 0.000 0.291 360 T C -0.642 174.040 174.700 -0.030 0.000 1.045 360 T CA -0.903 61.206 62.100 0.014 0.000 1.015 360 T CB 1.119 69.976 68.868 -0.018 0.000 1.103 360 T HN 0.188 nan 8.240 nan 0.000 0.496 361 L N 1.656 122.855 121.223 -0.041 0.000 2.376 361 L HA 0.495 4.835 4.340 0.001 0.000 0.275 361 L C -0.759 176.125 176.870 0.023 0.000 0.987 361 L CA -0.620 54.182 54.840 -0.063 0.000 0.828 361 L CB 1.930 43.916 42.059 -0.122 0.000 1.249 361 L HN 0.821 nan 8.230 nan 0.000 0.409 362 Q N 3.401 123.214 119.800 0.021 0.000 2.397 362 Q HA 0.516 4.856 4.340 0.001 0.000 0.275 362 Q C -1.475 174.550 176.000 0.041 0.000 1.090 362 Q CA -0.969 54.812 55.803 -0.036 0.000 0.809 362 Q CB 3.610 32.431 28.738 0.139 0.000 1.362 362 Q HN 0.373 nan 8.270 nan 0.000 0.431 363 L N 1.882 122.985 121.223 -0.200 0.000 2.307 363 L HA 0.426 4.767 4.340 0.001 0.000 0.284 363 L C -1.105 175.691 176.870 -0.124 0.000 1.023 363 L CA 0.031 54.800 54.840 -0.119 0.000 0.810 363 L CB 0.825 42.640 42.059 -0.405 0.000 1.231 363 L HN 0.603 nan 8.230 nan 0.000 0.423 364 H N 1.771 120.786 119.070 -0.093 0.000 2.797 364 H HA 0.258 4.814 4.556 0.001 0.000 0.372 364 H C -1.336 174.047 175.328 0.092 0.000 1.168 364 H CA -0.972 55.064 56.048 -0.021 0.000 1.163 364 H CB 2.206 31.971 29.762 0.006 0.000 1.778 364 H HN 0.560 nan 8.280 nan 0.000 0.551 365 D N 1.340 121.870 120.400 0.217 0.000 2.351 365 D HA -0.027 4.613 4.640 0.001 0.000 0.251 365 D C 0.864 177.269 176.300 0.174 0.000 1.137 365 D CA -0.381 53.759 54.000 0.232 0.000 0.879 365 D CB 1.090 41.976 40.800 0.142 0.000 1.181 365 D HN 0.296 nan 8.370 nan 0.000 0.448 366 L N 4.838 126.146 121.223 0.141 0.000 2.109 366 L HA 0.087 4.427 4.340 0.001 0.000 0.207 366 L C 1.952 178.846 176.870 0.039 0.000 1.086 366 L CA 2.094 56.976 54.840 0.070 0.000 0.760 366 L CB -0.816 41.261 42.059 0.029 0.000 0.910 366 L HN 0.579 nan 8.230 nan 0.000 0.437 367 A N -1.324 121.518 122.820 0.037 0.000 1.972 367 A HA -0.153 4.168 4.320 0.001 0.000 0.219 367 A C 2.126 179.732 177.584 0.038 0.000 1.169 367 A CA 2.254 54.305 52.037 0.024 0.000 0.635 367 A CB -0.890 18.119 19.000 0.016 0.000 0.810 367 A HN 0.613 nan 8.150 nan 0.000 0.446 368 T N -6.766 107.821 114.554 0.056 0.000 2.986 368 T HA 0.446 4.797 4.350 0.001 0.000 0.264 368 T C 1.410 176.157 174.700 0.079 0.000 0.964 368 T CA 0.998 63.133 62.100 0.058 0.000 0.895 368 T CB 0.470 69.369 68.868 0.051 0.000 1.163 368 T HN 1.695 nan 8.240 nan 0.000 0.517 369 G N 1.859 110.722 108.800 0.105 0.000 2.179 369 G HA2 -0.075 3.885 3.960 0.001 0.000 0.260 369 G HA3 -0.075 3.885 3.960 0.001 0.000 0.260 369 G C 0.417 175.457 174.900 0.233 0.000 0.977 369 G CA -0.028 45.164 45.100 0.153 0.000 0.641 369 G HN 1.280 nan 8.290 nan 0.000 0.533 370 A N 0.105 122.999 122.820 0.123 0.000 2.462 370 A HA 0.610 4.930 4.320 0.001 0.000 0.243 370 A C 0.632 178.131 177.584 -0.141 0.000 1.076 370 A CA 0.355 52.413 52.037 0.035 0.000 0.773 370 A CB 0.503 19.502 19.000 -0.001 0.000 1.010 370 A HN 1.645 nan 8.150 nan 0.000 0.493 371 L N 2.387 123.396 121.223 -0.357 0.000 2.455 371 L HA 0.233 4.574 4.340 0.001 0.000 0.272 371 L C 0.527 177.160 176.870 -0.396 0.000 1.174 371 L CA 0.658 55.073 54.840 -0.709 0.000 0.869 371 L CB 0.142 41.908 42.059 -0.489 0.000 1.130 371 L HN 0.733 nan 8.230 nan 0.000 0.474 372 L N 2.745 123.717 121.223 -0.417 0.000 2.624 372 L HA 0.360 4.701 4.340 0.001 0.000 0.222 372 L C 0.017 176.683 176.870 -0.340 0.000 1.046 372 L CA -0.078 54.585 54.840 -0.295 0.000 0.872 372 L CB 0.125 42.022 42.059 -0.271 0.000 1.190 372 L HN 0.602 nan 8.230 nan 0.000 0.487 373 K N 0.534 120.661 120.400 -0.455 0.000 2.561 373 K HA 0.406 4.726 4.320 0.001 0.000 0.254 373 K C -1.621 174.591 176.600 -0.647 0.000 0.942 373 K CA -0.249 55.711 56.287 -0.545 0.000 0.818 373 K CB 1.550 33.635 32.500 -0.693 0.000 1.306 373 K HN -0.200 nan 8.250 nan 0.000 0.435 374 I N 5.087 125.351 120.570 -0.509 0.000 2.331 374 I HA 0.319 4.489 4.170 0.001 0.000 0.292 374 I C -0.352 175.465 176.117 -0.500 0.000 0.998 374 I CA -0.567 60.471 61.300 -0.436 0.000 1.267 374 I CB 0.387 38.235 38.000 -0.252 0.000 1.386 374 I HN 0.527 nan 8.210 nan 0.000 0.476 375 F N 7.526 127.369 119.950 -0.179 0.000 2.413 375 F HA 0.333 4.861 4.527 0.001 0.000 0.359 375 F C -1.687 173.995 175.800 -0.197 0.000 1.122 375 F CA -2.530 55.352 58.000 -0.196 0.000 1.160 375 F CB 0.028 38.844 39.000 -0.306 0.000 1.146 375 F HN 0.256 nan 8.300 nan 0.000 0.514 376 P HA 0.342 nan 4.420 nan 0.000 0.281 376 P C -0.828 176.386 177.300 -0.143 0.000 1.252 376 P CA -0.104 62.946 63.100 -0.083 0.000 0.778 376 P CB 1.422 33.077 31.700 -0.076 0.000 0.895 377 L N 1.924 123.075 121.223 -0.120 0.000 2.354 377 L HA 0.400 4.740 4.340 0.001 0.000 0.264 377 L C 0.974 177.745 176.870 -0.165 0.000 1.008 377 L CA -1.148 53.572 54.840 -0.200 0.000 0.819 377 L CB 1.832 43.874 42.059 -0.029 0.000 1.339 377 L HN 0.265 nan 8.230 nan 0.000 0.420 378 E N 0.604 120.606 120.200 -0.330 0.000 2.585 378 E HA 0.109 4.459 4.350 0.001 0.000 0.256 378 E C -0.616 176.081 176.600 0.162 0.000 1.383 378 E CA -0.275 56.054 56.400 -0.117 0.000 1.029 378 E CB 0.697 30.299 29.700 -0.164 0.000 1.044 378 E HN 0.155 nan 8.360 nan 0.000 0.595 379 V N 0.948 121.020 119.914 0.263 0.000 2.439 379 V HA 0.447 4.568 4.120 0.001 0.000 0.271 379 V C 0.839 177.152 176.094 0.365 0.000 1.040 379 V CA 1.232 63.711 62.300 0.298 0.000 1.002 379 V CB 0.090 32.053 31.823 0.234 0.000 1.000 379 V HN 0.796 nan 8.190 nan 0.000 0.477 380 G N 4.256 113.223 108.800 0.278 0.000 2.452 380 G HA2 0.350 4.310 3.960 0.001 0.000 0.224 380 G HA3 0.350 4.310 3.960 0.001 0.000 0.224 380 G C -0.987 173.838 174.900 -0.126 0.000 1.208 380 G CA -0.310 44.724 45.100 -0.109 0.000 0.946 380 G HN 0.545 nan 8.290 nan 0.000 0.481 381 S N -1.020 114.454 115.700 -0.377 0.000 2.536 381 S HA 0.659 5.129 4.470 0.001 0.000 0.298 381 S C -0.395 174.175 174.600 -0.049 0.000 1.083 381 S CA -0.462 57.646 58.200 -0.154 0.000 0.995 381 S CB 1.950 65.045 63.200 -0.175 0.000 1.058 381 S HN 0.781 nan 8.310 nan 0.000 0.488 382 V N 3.456 123.466 119.914 0.160 0.000 2.385 382 V HA 0.192 4.313 4.120 0.001 0.000 0.269 382 V C 0.825 177.072 176.094 0.256 0.000 1.043 382 V CA -0.227 62.259 62.300 0.311 0.000 0.906 382 V CB 0.960 33.038 31.823 0.426 0.000 0.995 382 V HN 0.846 nan 8.190 nan 0.000 0.467 383 V N 1.953 121.991 119.914 0.208 0.000 3.427 383 V HA 0.763 4.883 4.120 0.001 0.000 0.305 383 V C 0.589 176.773 176.094 0.149 0.000 1.412 383 V CA 0.457 62.840 62.300 0.139 0.000 1.086 383 V CB 0.141 32.011 31.823 0.078 0.000 0.964 383 V HN 0.845 nan 8.190 nan 0.000 0.439 384 G N -0.511 108.426 108.800 0.228 0.000 2.667 384 G HA2 0.573 4.533 3.960 0.001 0.000 0.294 384 G HA3 0.573 4.533 3.960 0.001 0.000 0.294 384 G C -2.230 172.873 174.900 0.338 0.000 1.467 384 G CA -0.566 44.661 45.100 0.212 0.000 0.852 384 G HN 0.572 nan 8.290 nan 0.000 0.521 385 Y N 0.758 121.127 120.300 0.115 0.000 2.558 385 Y HA 0.721 5.272 4.550 0.001 0.000 0.333 385 Y C -0.715 175.283 175.900 0.163 0.000 1.125 385 Y CA -0.464 57.747 58.100 0.185 0.000 1.039 385 Y CB 1.971 40.433 38.460 0.004 0.000 1.331 385 Y HN 1.277 nan 8.280 nan 0.000 0.456 386 S N 2.908 118.198 115.700 -0.683 0.000 2.564 386 S HA 0.934 5.404 4.470 0.001 0.000 0.274 386 S C -0.598 173.531 174.600 -0.785 0.000 1.124 386 S CA -0.388 57.479 58.200 -0.555 0.000 0.869 386 S CB 1.663 64.895 63.200 0.054 0.000 1.105 386 S HN 2.095 nan 8.310 nan 0.000 0.472 387 G N 1.848 110.477 108.800 -0.285 0.000 2.308 387 G HA2 0.220 4.181 3.960 0.001 0.000 0.182 387 G HA3 0.220 4.181 3.960 0.001 0.000 0.182 387 G C -1.217 173.823 174.900 0.233 0.000 1.488 387 G CA -0.872 44.237 45.100 0.016 0.000 1.144 387 G HN 0.751 nan 8.290 nan 0.000 0.608 388 Q N 0.832 120.745 119.800 0.188 0.000 2.207 388 Q HA 0.499 4.840 4.340 0.001 0.000 0.237 388 Q C 1.508 177.606 176.000 0.163 0.000 0.998 388 Q CA -0.915 55.004 55.803 0.192 0.000 0.951 388 Q CB 1.857 30.693 28.738 0.163 0.000 1.213 388 Q HN 0.442 nan 8.270 nan 0.000 0.499 389 K N 1.004 121.489 120.400 0.141 0.000 2.044 389 K HA -0.224 4.096 4.320 0.001 0.000 0.210 389 K C 1.693 178.346 176.600 0.089 0.000 1.049 389 K CA 2.066 58.417 56.287 0.107 0.000 0.927 389 K CB 0.034 32.588 32.500 0.090 0.000 0.713 389 K HN 0.473 nan 8.250 nan 0.000 0.443 390 K N -0.125 120.328 120.400 0.089 0.000 2.439 390 K HA -0.030 4.290 4.320 0.001 0.000 0.197 390 K C -0.284 176.353 176.600 0.062 0.000 1.041 390 K CA 0.613 56.939 56.287 0.065 0.000 0.970 390 K CB 0.042 32.575 32.500 0.055 0.000 0.773 390 K HN 0.053 nan 8.250 nan 0.000 0.479 391 D N 2.234 122.686 120.400 0.087 0.000 2.329 391 D HA 0.009 4.649 4.640 0.001 0.000 0.246 391 D C 0.539 176.901 176.300 0.103 0.000 1.111 391 D CA 0.271 54.327 54.000 0.093 0.000 0.941 391 D CB 1.710 42.582 40.800 0.121 0.000 1.169 391 D HN 0.250 nan 8.370 nan 0.000 0.441 392 T N -2.692 111.925 114.554 0.104 0.000 3.228 392 T HA 0.248 4.598 4.350 0.001 0.000 0.278 392 T C 0.179 174.943 174.700 0.106 0.000 1.014 392 T CA -0.560 61.602 62.100 0.104 0.000 0.904 392 T CB -0.065 68.850 68.868 0.079 0.000 1.110 392 T HN 0.569 nan 8.240 nan 0.000 0.541 393 E N 0.946 121.211 120.200 0.108 0.000 2.407 393 E HA 0.611 4.961 4.350 0.001 0.000 0.279 393 E C -1.253 175.357 176.600 0.017 0.000 1.012 393 E CA -1.396 55.017 56.400 0.020 0.000 0.800 393 E CB 1.668 31.398 29.700 0.049 0.000 1.276 393 E HN 0.397 nan 8.360 nan 0.000 0.452 394 I N -1.773 118.732 120.570 -0.109 0.000 2.846 394 I HA 0.721 4.892 4.170 0.001 0.000 0.307 394 I C -1.285 174.692 176.117 -0.233 0.000 1.053 394 I CA -1.242 60.019 61.300 -0.065 0.000 1.050 394 I CB 1.496 39.545 38.000 0.083 0.000 1.239 394 I HN 0.422 nan 8.210 nan 0.000 0.439 395 F N 2.661 122.596 119.950 -0.026 0.000 2.546 395 F HA 0.706 5.233 4.527 0.001 0.000 0.320 395 F C -0.760 175.106 175.800 0.110 0.000 1.076 395 F CA -0.518 57.461 58.000 -0.035 0.000 0.928 395 F CB 2.136 41.090 39.000 -0.077 0.000 1.189 395 F HN 0.524 nan 8.300 nan 0.000 0.465 396 Y N -0.413 120.085 120.300 0.329 0.000 2.552 396 Y HA 0.592 5.142 4.550 0.001 0.000 0.337 396 Y C -1.369 174.779 175.900 0.414 0.000 1.094 396 Y CA -1.427 56.902 58.100 0.382 0.000 1.028 396 Y CB 1.283 39.995 38.460 0.420 0.000 1.321 396 Y HN 0.626 nan 8.280 nan 0.000 0.456 397 Q N 2.958 123.049 119.800 0.485 0.000 2.333 397 Q HA 0.545 4.885 4.340 0.001 0.000 0.267 397 Q C -2.116 174.162 176.000 0.463 0.000 1.012 397 Q CA -0.822 55.210 55.803 0.382 0.000 0.824 397 Q CB 1.738 30.644 28.738 0.279 0.000 1.290 397 Q HN 0.760 nan 8.270 nan 0.000 0.449 398 F N 2.283 122.417 119.950 0.308 0.000 2.450 398 F HA 0.687 5.214 4.527 0.001 0.000 0.332 398 F C -0.707 175.186 175.800 0.155 0.000 1.093 398 F CA -0.147 58.023 58.000 0.283 0.000 1.003 398 F CB 2.178 41.418 39.000 0.400 0.000 1.151 398 F HN 0.522 nan 8.300 nan 0.000 0.474 399 T N 2.890 116.957 114.554 -0.811 0.000 2.864 399 T HA 0.745 5.095 4.350 0.001 0.000 0.299 399 T C -1.205 172.947 174.700 -0.913 0.000 1.166 399 T CA -0.050 61.683 62.100 -0.612 0.000 1.007 399 T CB 1.205 69.952 68.868 -0.202 0.000 1.219 399 T HN 1.023 nan 8.240 nan 0.000 0.506 400 S N 0.900 116.335 115.700 -0.441 0.000 2.752 400 S HA 0.552 5.022 4.470 0.001 0.000 0.284 400 S C 0.230 174.725 174.600 -0.175 0.000 1.189 400 S CA -0.735 57.232 58.200 -0.390 0.000 0.835 400 S CB 0.257 63.373 63.200 -0.140 0.000 1.192 400 S HN 0.458 nan 8.310 nan 0.000 0.506 401 F N 0.428 120.353 119.950 -0.041 0.000 2.202 401 F HA 0.174 4.701 4.527 0.001 0.000 0.301 401 F C 1.747 177.628 175.800 0.136 0.000 1.082 401 F CA 1.250 59.249 58.000 -0.001 0.000 1.313 401 F CB -0.454 38.498 39.000 -0.079 0.000 1.024 401 F HN 0.348 nan 8.300 nan 0.000 0.495 402 L N -1.380 120.037 121.223 0.323 0.000 2.766 402 L HA 0.222 4.563 4.340 0.001 0.000 0.242 402 L C 0.351 177.322 176.870 0.169 0.000 1.136 402 L CA -0.058 54.950 54.840 0.281 0.000 0.933 402 L CB 0.051 42.234 42.059 0.207 0.000 1.241 402 L HN -0.002 nan 8.230 nan 0.000 0.522 403 S N -0.344 115.383 115.700 0.045 0.000 2.594 403 S HA 0.633 5.104 4.470 0.001 0.000 0.296 403 S C -2.837 171.423 174.600 -0.565 0.000 1.124 403 S CA -1.497 56.562 58.200 -0.235 0.000 1.011 403 S CB 2.237 65.444 63.200 0.011 0.000 1.016 403 S HN -0.227 nan 8.310 nan 0.000 0.485 404 P HA 0.251 nan 4.420 nan 0.000 0.273 404 P C 0.826 177.985 177.300 -0.235 0.000 1.250 404 P CA 0.148 62.749 63.100 -0.830 0.000 0.793 404 P CB -0.161 30.951 31.700 -0.980 0.000 1.011 405 G N 0.455 109.236 108.800 -0.031 0.000 2.281 405 G HA2 -0.009 3.952 3.960 0.001 0.000 0.236 405 G HA3 -0.009 3.952 3.960 0.001 0.000 0.236 405 G C -0.231 174.695 174.900 0.044 0.000 1.053 405 G CA -0.088 45.049 45.100 0.062 0.000 0.874 405 G HN 0.395 nan 8.290 nan 0.000 0.450 406 I N 1.964 122.603 120.570 0.115 0.000 2.406 406 I HA 0.323 4.493 4.170 0.001 0.000 0.290 406 I C 0.088 176.137 176.117 -0.113 0.000 0.999 406 I CA -0.637 60.619 61.300 -0.073 0.000 1.124 406 I CB 1.875 39.750 38.000 -0.208 0.000 1.289 406 I HN 0.252 nan 8.210 nan 0.000 0.441 407 I N 6.370 126.836 120.570 -0.173 0.000 2.321 407 I HA 0.278 4.448 4.170 0.001 0.000 0.291 407 I C -0.763 175.203 176.117 -0.252 0.000 0.998 407 I CA -0.415 60.837 61.300 -0.081 0.000 1.227 407 I CB 0.657 38.713 38.000 0.095 0.000 1.368 407 I HN 0.386 nan 8.210 nan 0.000 0.466 408 Y N 5.005 125.177 120.300 -0.214 0.000 2.376 408 Y HA 0.407 4.958 4.550 0.001 0.000 0.325 408 Y C 0.244 175.914 175.900 -0.382 0.000 1.199 408 Y CA -0.369 57.494 58.100 -0.396 0.000 1.206 408 Y CB 0.993 38.874 38.460 -0.965 0.000 1.229 408 Y HN 0.474 nan 8.280 nan 0.000 0.480 409 H N 1.585 120.502 119.070 -0.256 0.000 2.717 409 H HA 0.565 5.121 4.556 0.001 0.000 0.366 409 H C -1.655 173.463 175.328 -0.351 0.000 1.132 409 H CA -0.787 54.908 56.048 -0.590 0.000 1.180 409 H CB 2.017 31.335 29.762 -0.740 0.000 1.678 409 H HN 0.804 nan 8.280 nan 0.000 0.537 410 C N 4.961 123.799 119.300 -0.772 0.000 2.481 410 C HA 0.172 4.632 4.460 0.001 0.000 0.324 410 C C -0.659 173.950 174.990 -0.636 0.000 1.170 410 C CA -0.669 58.022 59.018 -0.544 0.000 1.361 410 C CB 0.681 28.297 27.740 -0.206 0.000 1.977 410 C HN 0.902 nan 8.230 nan 0.000 0.459 411 D N 4.333 124.421 120.400 -0.521 0.000 2.352 411 D HA 0.208 4.848 4.640 0.001 0.000 0.245 411 D C 0.843 177.102 176.300 -0.069 0.000 1.224 411 D CA -0.037 53.801 54.000 -0.271 0.000 0.879 411 D CB 0.625 41.321 40.800 -0.174 0.000 1.057 411 D HN 0.669 nan 8.370 nan 0.000 0.491 412 L N 2.943 124.178 121.223 0.020 0.000 2.599 412 L HA -0.004 4.337 4.340 0.001 0.000 0.230 412 L C 2.120 179.101 176.870 0.185 0.000 1.141 412 L CA 0.634 55.575 54.840 0.168 0.000 0.877 412 L CB -0.352 41.889 42.059 0.304 0.000 1.009 412 L HN 0.471 nan 8.230 nan 0.000 0.447 413 T N -4.211 110.401 114.554 0.096 0.000 3.113 413 T HA 0.038 4.388 4.350 0.001 0.000 0.256 413 T C 0.948 175.689 174.700 0.068 0.000 1.131 413 T CA -0.019 62.127 62.100 0.077 0.000 1.074 413 T CB 0.015 68.912 68.868 0.049 0.000 0.944 413 T HN -0.069 nan 8.240 nan 0.000 0.516 414 K N 1.749 122.187 120.400 0.064 0.000 2.144 414 K HA 0.301 4.621 4.320 0.001 0.000 0.270 414 K C 1.084 177.721 176.600 0.061 0.000 1.005 414 K CA -0.308 56.006 56.287 0.045 0.000 0.932 414 K CB 1.584 34.097 32.500 0.022 0.000 1.021 414 K HN 0.077 nan 8.250 nan 0.000 0.462 415 E N 1.379 121.606 120.200 0.044 0.000 2.072 415 E HA -0.166 4.185 4.350 0.001 0.000 0.191 415 E C -0.428 176.193 176.600 0.035 0.000 0.985 415 E CA 1.531 57.957 56.400 0.045 0.000 0.801 415 E CB 0.251 29.967 29.700 0.027 0.000 0.750 415 E HN 0.414 nan 8.360 nan 0.000 0.452 416 E N -0.394 119.818 120.200 0.020 0.000 2.155 416 E HA 0.324 4.674 4.350 0.001 0.000 0.264 416 E C -1.108 175.494 176.600 0.004 0.000 0.886 416 E CA -0.289 56.114 56.400 0.004 0.000 0.752 416 E CB 0.965 30.663 29.700 -0.004 0.000 1.133 416 E HN 0.116 nan 8.360 nan 0.000 0.414 417 L N 3.251 124.474 121.223 -0.001 0.000 2.410 417 L HA 0.290 4.631 4.340 0.001 0.000 0.273 417 L C 0.354 177.235 176.870 0.018 0.000 1.152 417 L CA 0.068 54.918 54.840 0.017 0.000 0.855 417 L CB 0.533 42.612 42.059 0.032 0.000 1.129 417 L HN 0.311 nan 8.230 nan 0.000 0.463 418 E N 4.064 124.275 120.200 0.019 0.000 2.437 418 E HA 0.315 4.666 4.350 0.001 0.000 0.238 418 E C -2.422 174.194 176.600 0.026 0.000 0.969 418 E CA -1.851 54.562 56.400 0.021 0.000 0.759 418 E CB 1.359 31.062 29.700 0.004 0.000 1.283 418 E HN 0.279 nan 8.360 nan 0.000 0.416 419 P HA 0.207 nan 4.420 nan 0.000 0.276 419 P C -0.357 177.004 177.300 0.101 0.000 1.230 419 P CA -0.135 63.013 63.100 0.080 0.000 0.776 419 P CB 0.979 32.794 31.700 0.193 0.000 0.888 420 R N 1.195 121.760 120.500 0.109 0.000 2.744 420 R HA 0.494 4.834 4.340 0.001 0.000 0.279 420 R C -0.836 175.570 176.300 0.176 0.000 0.977 420 R CA -1.346 54.834 56.100 0.134 0.000 0.906 420 R CB 1.293 31.642 30.300 0.081 0.000 1.197 420 R HN 0.129 nan 8.270 nan 0.000 0.463 421 V N 3.169 123.139 119.914 0.094 0.000 2.493 421 V HA -0.086 4.035 4.120 0.001 0.000 0.292 421 V C 0.622 176.697 176.094 -0.031 0.000 1.016 421 V CA 0.817 63.052 62.300 -0.108 0.000 1.097 421 V CB -0.179 31.549 31.823 -0.158 0.000 0.947 421 V HN 0.694 nan 8.190 nan 0.000 0.479 422 F N 5.070 124.896 119.950 -0.206 0.000 2.383 422 F HA 0.372 4.899 4.527 0.001 0.000 0.287 422 F C 1.135 176.780 175.800 -0.257 0.000 1.069 422 F CA 0.221 58.115 58.000 -0.177 0.000 1.402 422 F CB 0.408 39.358 39.000 -0.084 0.000 1.116 422 F HN 0.450 nan 8.300 nan 0.000 0.549 423 R N 0.834 121.201 120.500 -0.221 0.000 2.566 423 R HA 0.354 4.695 4.340 0.001 0.000 0.271 423 R C -1.867 174.292 176.300 -0.234 0.000 1.071 423 R CA -0.490 55.407 56.100 -0.338 0.000 0.915 423 R CB 1.457 31.487 30.300 -0.449 0.000 1.228 423 R HN 0.183 nan 8.270 nan 0.000 0.449 424 E N 3.331 123.410 120.200 -0.202 0.000 2.292 424 E HA 0.551 4.901 4.350 0.001 0.000 0.272 424 E C -1.440 175.112 176.600 -0.081 0.000 0.881 424 E CA -1.019 55.299 56.400 -0.137 0.000 0.754 424 E CB 2.014 31.627 29.700 -0.146 0.000 1.201 424 E HN 0.409 nan 8.360 nan 0.000 0.425 425 V N 0.784 120.670 119.914 -0.047 0.000 2.715 425 V HA 0.666 4.786 4.120 0.001 0.000 0.310 425 V C -0.212 175.822 176.094 -0.101 0.000 1.054 425 V CA -0.787 61.503 62.300 -0.016 0.000 0.928 425 V CB 1.656 33.548 31.823 0.115 0.000 1.007 425 V HN 0.668 nan 8.190 nan 0.000 0.437 426 T N 2.672 117.183 114.554 -0.072 0.000 2.791 426 T HA 0.480 4.830 4.350 0.001 0.000 0.288 426 T C -0.496 174.146 174.700 -0.097 0.000 0.999 426 T CA -0.244 61.795 62.100 -0.100 0.000 0.952 426 T CB 1.035 69.870 68.868 -0.055 0.000 0.938 426 T HN 0.672 nan 8.240 nan 0.000 0.444 427 V N 7.634 127.440 119.914 -0.180 0.000 2.390 427 V HA 0.198 4.318 4.120 0.001 0.000 0.260 427 V C 0.906 176.997 176.094 -0.005 0.000 1.043 427 V CA -0.193 62.047 62.300 -0.100 0.000 1.047 427 V CB -0.203 31.543 31.823 -0.128 0.000 1.066 427 V HN 0.701 nan 8.190 nan 0.000 0.481 428 K N 3.659 124.075 120.400 0.028 0.000 2.368 428 K HA 0.482 4.803 4.320 0.001 0.000 0.282 428 K C 1.121 177.758 176.600 0.063 0.000 1.035 428 K CA 0.736 57.047 56.287 0.041 0.000 0.973 428 K CB 1.246 33.771 32.500 0.042 0.000 0.957 428 K HN 0.926 nan 8.250 nan 0.000 0.474 429 G N 2.819 111.658 108.800 0.065 0.000 3.330 429 G HA2 -0.157 3.804 3.960 0.001 0.000 0.197 429 G HA3 -0.157 3.804 3.960 0.001 0.000 0.197 429 G C -0.236 174.714 174.900 0.083 0.000 1.284 429 G CA -0.666 44.484 45.100 0.083 0.000 0.921 429 G HN 0.450 nan 8.290 nan 0.000 0.466 430 I N 2.402 123.022 120.570 0.083 0.000 2.354 430 I HA 0.402 4.573 4.170 0.001 0.000 0.292 430 I C -1.014 175.175 176.117 0.120 0.000 0.989 430 I CA -0.895 60.468 61.300 0.105 0.000 1.188 430 I CB 1.400 39.448 38.000 0.080 0.000 1.342 430 I HN 0.146 nan 8.210 nan 0.000 0.457 431 D N 5.385 125.873 120.400 0.146 0.000 2.374 431 D HA 0.314 4.955 4.640 0.001 0.000 0.240 431 D C 1.081 177.484 176.300 0.172 0.000 1.229 431 D CA -0.054 54.006 54.000 0.101 0.000 0.895 431 D CB 1.467 42.280 40.800 0.022 0.000 1.046 431 D HN 0.664 nan 8.370 nan 0.000 0.498 432 A N 3.048 125.961 122.820 0.155 0.000 1.940 432 A HA -0.214 4.106 4.320 0.001 0.000 0.219 432 A C 2.143 179.813 177.584 0.143 0.000 1.176 432 A CA 1.993 54.152 52.037 0.203 0.000 0.631 432 A CB -0.501 18.575 19.000 0.128 0.000 0.814 432 A HN 0.604 nan 8.150 nan 0.000 0.446 433 S N -0.340 115.386 115.700 0.043 0.000 2.474 433 S HA -0.138 4.332 4.470 0.001 0.000 0.235 433 S C 1.086 175.619 174.600 -0.112 0.000 0.997 433 S CA 1.295 59.486 58.200 -0.015 0.000 0.949 433 S CB -0.400 62.790 63.200 -0.017 0.000 0.766 433 S HN 0.503 nan 8.310 nan 0.000 0.517 434 D N 0.238 120.491 120.400 -0.245 0.000 2.312 434 D HA 0.133 4.773 4.640 0.001 0.000 0.211 434 D C -0.372 175.437 176.300 -0.818 0.000 0.964 434 D CA 0.680 54.337 54.000 -0.572 0.000 0.877 434 D CB 0.010 40.280 40.800 -0.883 0.000 0.924 434 D HN 0.512 nan 8.370 nan 0.000 0.515 435 Y N 0.206 120.481 120.300 -0.042 0.000 2.549 435 Y HA 0.360 4.910 4.550 0.001 0.000 0.339 435 Y C 0.594 176.435 175.900 -0.098 0.000 1.053 435 Y CA -1.142 56.912 58.100 -0.076 0.000 1.105 435 Y CB 1.217 39.639 38.460 -0.063 0.000 1.258 435 Y HN -0.252 nan 8.280 nan 0.000 0.478 436 Q N -0.493 119.266 119.800 -0.067 0.000 2.433 436 Q HA 0.759 5.099 4.340 0.001 0.000 0.279 436 Q C -1.556 174.358 176.000 -0.143 0.000 1.105 436 Q CA -1.104 54.639 55.803 -0.099 0.000 0.815 436 Q CB 2.289 30.956 28.738 -0.119 0.000 1.403 436 Q HN 0.577 nan 8.270 nan 0.000 0.435 437 T N 1.597 116.145 114.554 -0.010 0.000 2.786 437 T HA 0.526 4.876 4.350 0.001 0.000 0.283 437 T C -0.511 174.263 174.700 0.123 0.000 0.992 437 T CA -0.584 61.539 62.100 0.038 0.000 0.954 437 T CB 1.203 70.156 68.868 0.141 0.000 0.934 437 T HN 0.548 nan 8.240 nan 0.000 0.440 438 V N 1.952 121.957 119.914 0.152 0.000 2.864 438 V HA 0.733 4.853 4.120 0.001 0.000 0.314 438 V C -0.724 175.505 176.094 0.225 0.000 1.073 438 V CA -1.079 61.343 62.300 0.203 0.000 0.956 438 V CB 1.984 33.940 31.823 0.222 0.000 1.023 438 V HN 0.845 nan 8.190 nan 0.000 0.435 439 Q N 2.291 122.193 119.800 0.170 0.000 2.312 439 Q HA 0.773 5.113 4.340 0.001 0.000 0.263 439 Q C -1.177 174.751 176.000 -0.120 0.000 0.995 439 Q CA -0.773 54.996 55.803 -0.056 0.000 0.853 439 Q CB 1.962 30.638 28.738 -0.104 0.000 1.300 439 Q HN 0.964 nan 8.270 nan 0.000 0.448 440 I N -0.857 119.523 120.570 -0.316 0.000 3.174 440 I HA 0.669 4.839 4.170 0.001 0.000 0.313 440 I C -1.566 174.219 176.117 -0.552 0.000 1.155 440 I CA -0.862 60.323 61.300 -0.192 0.000 0.977 440 I CB 1.678 39.666 38.000 -0.021 0.000 1.248 440 I HN 0.425 nan 8.210 nan 0.000 0.453 441 F N 2.699 122.602 119.950 -0.079 0.000 2.518 441 F HA 0.667 5.195 4.527 0.001 0.000 0.323 441 F C -0.862 174.872 175.800 -0.110 0.000 1.129 441 F CA -0.486 57.430 58.000 -0.140 0.000 0.920 441 F CB 1.867 40.797 39.000 -0.117 0.000 1.160 441 F HN 0.557 nan 8.300 nan 0.000 0.440 442 Y N 1.832 122.104 120.300 -0.047 0.000 2.485 442 Y HA 0.814 5.365 4.550 0.001 0.000 0.345 442 Y C -3.197 172.736 175.900 0.055 0.000 0.998 442 Y CA -3.882 54.184 58.100 -0.056 0.000 1.059 442 Y CB 1.290 39.571 38.460 -0.299 0.000 1.234 442 Y HN 0.259 nan 8.280 nan 0.000 0.461 443 P HA 0.110 nan 4.420 nan 0.000 0.281 443 P C -0.201 177.216 177.300 0.194 0.000 1.252 443 P CA -0.023 63.148 63.100 0.118 0.000 0.778 443 P CB 1.963 33.737 31.700 0.124 0.000 0.895 444 S N 2.267 118.021 115.700 0.091 0.000 2.652 444 S HA 0.100 4.571 4.470 0.001 0.000 0.267 444 S C 1.599 176.255 174.600 0.094 0.000 1.201 444 S CA -0.413 57.870 58.200 0.138 0.000 0.996 444 S CB 0.287 63.519 63.200 0.054 0.000 1.054 444 S HN 0.487 nan 8.310 nan 0.000 0.561 445 K N 0.453 120.900 120.400 0.078 0.000 2.059 445 K HA -0.203 4.117 4.320 0.001 0.000 0.212 445 K C 1.107 177.722 176.600 0.025 0.000 1.050 445 K CA 2.353 58.669 56.287 0.050 0.000 0.927 445 K CB -0.514 32.010 32.500 0.040 0.000 0.714 445 K HN 0.772 nan 8.250 nan 0.000 0.447 446 D N -1.792 118.610 120.400 0.003 0.000 2.363 446 D HA 0.037 4.677 4.640 0.001 0.000 0.226 446 D C 1.039 177.336 176.300 -0.005 0.000 1.020 446 D CA 0.851 54.845 54.000 -0.011 0.000 0.892 446 D CB 0.311 41.088 40.800 -0.038 0.000 0.900 446 D HN 0.497 nan 8.370 nan 0.000 0.531 447 G N -0.851 107.955 108.800 0.010 0.000 2.213 447 G HA2 -0.267 3.693 3.960 0.001 0.000 0.236 447 G HA3 -0.267 3.693 3.960 0.001 0.000 0.236 447 G C 0.498 175.399 174.900 0.003 0.000 0.991 447 G CA 0.185 45.294 45.100 0.014 0.000 0.629 447 G HN 0.463 nan 8.290 nan 0.000 0.517 448 T N 3.044 117.591 114.554 -0.012 0.000 2.928 448 T HA 0.400 4.751 4.350 0.001 0.000 0.305 448 T C 0.419 175.113 174.700 -0.010 0.000 1.035 448 T CA 0.282 62.376 62.100 -0.010 0.000 1.145 448 T CB 0.951 69.796 68.868 -0.037 0.000 0.963 448 T HN 0.184 nan 8.240 nan 0.000 0.545 449 K N 3.542 123.946 120.400 0.006 0.000 2.227 449 K HA 0.359 4.679 4.320 0.001 0.000 0.280 449 K C -0.297 176.318 176.600 0.025 0.000 1.041 449 K CA -0.481 55.796 56.287 -0.018 0.000 0.905 449 K CB 1.008 33.495 32.500 -0.021 0.000 1.068 449 K HN 0.426 nan 8.250 nan 0.000 0.470 450 I N 4.997 125.418 120.570 -0.248 0.000 2.404 450 I HA 0.316 4.486 4.170 0.001 0.000 0.293 450 I C -2.341 173.573 176.117 -0.338 0.000 0.992 450 I CA -3.113 58.042 61.300 -0.241 0.000 1.149 450 I CB 1.317 38.897 38.000 -0.701 0.000 1.315 450 I HN 0.165 nan 8.210 nan 0.000 0.446 451 P HA 0.398 nan 4.420 nan 0.000 0.275 451 P C -0.752 176.332 177.300 -0.360 0.000 1.228 451 P CA -0.465 62.298 63.100 -0.562 0.000 0.786 451 P CB 0.916 32.351 31.700 -0.441 0.000 0.927 452 M N 2.697 122.013 119.600 -0.472 0.000 2.322 452 M HA 0.511 4.991 4.480 0.001 0.000 0.286 452 M C -1.891 174.211 176.300 -0.328 0.000 1.111 452 M CA -0.586 54.584 55.300 -0.217 0.000 0.941 452 M CB 1.240 33.846 32.600 0.010 0.000 1.671 452 M HN -0.018 nan 8.290 nan 0.000 0.470 453 F N 4.956 124.905 119.950 -0.002 0.000 2.404 453 F HA 0.634 5.162 4.527 0.001 0.000 0.339 453 F C -0.254 175.467 175.800 -0.131 0.000 1.105 453 F CA -0.388 57.588 58.000 -0.040 0.000 1.087 453 F CB 1.213 40.233 39.000 0.034 0.000 1.143 453 F HN 0.381 nan 8.300 nan 0.000 0.491 454 I N 3.571 124.187 120.570 0.076 0.000 2.466 454 I HA 0.440 4.610 4.170 0.001 0.000 0.289 454 I C -1.175 174.918 176.117 -0.039 0.000 1.026 454 I CA -0.925 60.359 61.300 -0.027 0.000 1.078 454 I CB 1.937 39.877 38.000 -0.100 0.000 1.249 454 I HN 0.138 nan 8.210 nan 0.000 0.429 455 V N 5.946 125.798 119.914 -0.103 0.000 2.448 455 V HA 0.516 4.636 4.120 0.001 0.000 0.295 455 V C -0.705 175.402 176.094 0.021 0.000 1.025 455 V CA -0.449 61.767 62.300 -0.141 0.000 0.859 455 V CB 1.381 33.033 31.823 -0.284 0.000 0.988 455 V HN 0.945 nan 8.190 nan 0.000 0.431 456 H N 1.842 120.954 119.070 0.071 0.000 2.990 456 H HA 0.598 5.155 4.556 0.001 0.000 0.336 456 H C -0.672 174.784 175.328 0.213 0.000 1.306 456 H CA -1.186 54.925 56.048 0.104 0.000 1.118 456 H CB 1.252 31.071 29.762 0.096 0.000 1.856 456 H HN 0.466 nan 8.280 nan 0.000 0.538 457 K N 1.427 122.032 120.400 0.343 0.000 2.326 457 K HA 0.145 4.465 4.320 0.001 0.000 0.275 457 K C -0.637 176.050 176.600 0.144 0.000 1.018 457 K CA -0.530 55.867 56.287 0.183 0.000 0.962 457 K CB 0.502 33.046 32.500 0.074 0.000 0.953 457 K HN 0.648 nan 8.250 nan 0.000 0.475 458 K N 1.521 121.900 120.400 -0.036 0.000 2.382 458 K HA 0.079 4.399 4.320 0.001 0.000 0.275 458 K C 0.781 177.403 176.600 0.037 0.000 1.009 458 K CA 0.830 57.134 56.287 0.030 0.000 0.970 458 K CB 0.549 33.027 32.500 -0.036 0.000 0.934 458 K HN 0.948 nan 8.250 nan 0.000 0.479 459 G N 1.914 110.760 108.800 0.077 0.000 2.176 459 G HA2 -0.250 3.710 3.960 0.001 0.000 0.232 459 G HA3 -0.250 3.710 3.960 0.001 0.000 0.232 459 G C 0.313 175.221 174.900 0.013 0.000 0.986 459 G CA 0.126 45.243 45.100 0.029 0.000 0.643 459 G HN 0.729 nan 8.290 nan 0.000 0.522 460 I N -1.434 119.140 120.570 0.007 0.000 2.892 460 I HA 0.502 4.672 4.170 0.001 0.000 0.287 460 I C 0.506 176.598 176.117 -0.041 0.000 1.205 460 I CA -0.301 60.964 61.300 -0.058 0.000 1.409 460 I CB 0.556 38.399 38.000 -0.263 0.000 1.367 460 I HN -0.148 nan 8.210 nan 0.000 0.597 461 K N 5.647 126.073 120.400 0.043 0.000 2.234 461 K HA 0.371 4.691 4.320 0.001 0.000 0.282 461 K C -0.504 176.133 176.600 0.061 0.000 1.039 461 K CA -0.534 55.771 56.287 0.031 0.000 0.928 461 K CB 1.266 33.784 32.500 0.030 0.000 1.039 461 K HN 0.660 nan 8.250 nan 0.000 0.470 462 L N 4.989 126.159 121.223 -0.088 0.000 2.480 462 L HA 0.063 4.404 4.340 0.001 0.000 0.243 462 L C 0.639 177.438 176.870 -0.119 0.000 1.315 462 L CA -0.141 54.596 54.840 -0.173 0.000 1.231 462 L CB -0.378 41.467 42.059 -0.357 0.000 1.444 462 L HN 0.521 nan 8.230 nan 0.000 0.409 463 D N -0.531 119.822 120.400 -0.078 0.000 2.402 463 D HA 0.102 4.742 4.640 0.001 0.000 0.216 463 D C 1.284 177.512 176.300 -0.121 0.000 1.128 463 D CA 0.172 54.112 54.000 -0.100 0.000 0.833 463 D CB 0.691 41.436 40.800 -0.092 0.000 0.971 463 D HN 0.371 nan 8.370 nan 0.000 0.503 464 G N 0.695 109.427 108.800 -0.112 0.000 2.148 464 G HA2 -0.347 3.614 3.960 0.001 0.000 0.254 464 G HA3 -0.347 3.614 3.960 0.001 0.000 0.254 464 G C 0.990 175.806 174.900 -0.141 0.000 0.981 464 G CA 0.728 45.777 45.100 -0.086 0.000 0.670 464 G HN 0.695 nan 8.290 nan 0.000 0.528 465 S N -0.429 115.060 115.700 -0.351 0.000 2.535 465 S HA 0.244 4.714 4.470 0.001 0.000 0.214 465 S C 0.698 175.064 174.600 -0.390 0.000 0.980 465 S CA -0.002 57.968 58.200 -0.384 0.000 0.907 465 S CB 0.077 63.024 63.200 -0.422 0.000 0.790 465 S HN 0.599 nan 8.310 nan 0.000 0.510 466 H N 3.101 122.191 119.070 0.034 0.000 2.473 466 H HA 0.453 5.010 4.556 0.001 0.000 0.327 466 H C -2.822 172.569 175.328 0.104 0.000 1.105 466 H CA -2.324 53.753 56.048 0.050 0.000 1.280 466 H CB 0.605 30.399 29.762 0.053 0.000 1.450 466 H HN 0.235 nan 8.280 nan 0.000 0.492 467 P HA 0.240 nan 4.420 nan 0.000 0.271 467 P C -0.755 176.822 177.300 0.462 0.000 1.218 467 P CA -0.291 63.000 63.100 0.318 0.000 0.780 467 P CB 0.946 32.841 31.700 0.325 0.000 0.901 468 A N 2.277 125.428 122.820 0.552 0.000 2.454 468 A HA 0.710 5.030 4.320 0.001 0.000 0.302 468 A C -1.796 176.114 177.584 0.543 0.000 1.079 468 A CA -0.554 51.824 52.037 0.568 0.000 0.731 468 A CB 1.196 20.398 19.000 0.338 0.000 1.299 468 A HN 0.456 nan 8.150 nan 0.000 0.413 469 F N 2.287 122.417 119.950 0.301 0.000 2.513 469 F HA 0.574 5.102 4.527 0.001 0.000 0.358 469 F C -1.093 174.790 175.800 0.139 0.000 1.118 469 F CA -0.794 57.232 58.000 0.044 0.000 1.037 469 F CB 1.371 40.205 39.000 -0.277 0.000 1.276 469 F HN 0.503 nan 8.300 nan 0.000 0.446 470 L N 7.846 129.043 121.223 -0.044 0.000 2.272 470 L HA 0.480 4.821 4.340 0.001 0.000 0.289 470 L C -1.870 175.089 176.870 0.148 0.000 1.032 470 L CA -0.594 54.283 54.840 0.061 0.000 0.810 470 L CB 0.843 42.854 42.059 -0.080 0.000 1.205 470 L HN 0.584 nan 8.230 nan 0.000 0.422 471 Y N 4.267 124.696 120.300 0.215 0.000 2.409 471 Y HA 0.829 5.380 4.550 0.001 0.000 0.339 471 Y C 0.040 176.164 175.900 0.372 0.000 1.033 471 Y CA -0.148 58.094 58.100 0.237 0.000 1.094 471 Y CB 1.944 40.571 38.460 0.279 0.000 1.210 471 Y HN 0.752 nan 8.280 nan 0.000 0.456 472 G N 3.247 111.717 108.800 -0.550 0.000 2.690 472 G HA2 0.321 4.282 3.960 0.001 0.000 0.291 472 G HA3 0.321 4.282 3.960 0.001 0.000 0.291 472 G C -1.944 172.525 174.900 -0.720 0.000 1.403 472 G CA -0.461 44.332 45.100 -0.512 0.000 0.864 472 G HN 0.683 nan 8.290 nan 0.000 0.480 473 Y N 0.207 120.232 120.300 -0.458 0.000 3.224 473 Y HA 0.469 5.019 4.550 0.001 0.000 0.184 473 Y C 1.460 177.215 175.900 -0.241 0.000 0.891 473 Y CA 1.457 59.361 58.100 -0.327 0.000 1.736 473 Y CB 0.558 38.941 38.460 -0.127 0.000 1.411 473 Y HN 1.619 nan 8.280 nan 0.000 0.402 474 G N 0.978 109.742 108.800 -0.059 0.000 2.643 474 G HA2 0.353 4.313 3.960 0.001 0.000 0.280 474 G HA3 0.353 4.313 3.960 0.001 0.000 0.280 474 G C -0.071 174.654 174.900 -0.291 0.000 1.120 474 G CA 0.368 45.362 45.100 -0.177 0.000 1.165 474 G HN 1.357 nan 8.290 nan 0.000 0.540 475 G N -1.130 107.615 108.800 -0.090 0.000 2.355 475 G HA2 0.632 4.592 3.960 0.001 0.000 0.296 475 G HA3 0.632 4.592 3.960 0.001 0.000 0.296 475 G C -0.043 174.920 174.900 0.105 0.000 1.507 475 G CA 0.240 45.229 45.100 -0.185 0.000 0.823 475 G HN 1.486 nan 8.290 nan 0.000 0.569 476 F N -0.352 119.570 119.950 -0.048 0.000 3.057 476 F HA -0.237 4.291 4.527 0.001 0.000 0.287 476 F C 1.301 176.920 175.800 -0.301 0.000 0.834 476 F CA 1.218 59.132 58.000 -0.144 0.000 1.147 476 F CB -1.541 37.437 39.000 -0.037 0.000 1.245 476 F HN 1.101 nan 8.300 nan 0.000 0.509 477 N N -0.261 118.183 118.700 -0.427 0.000 2.714 477 N HA -0.211 4.529 4.740 0.001 0.000 0.250 477 N C -0.511 174.981 175.510 -0.029 0.000 1.117 477 N CA 1.013 53.888 53.050 -0.293 0.000 0.719 477 N CB -0.588 37.627 38.487 -0.453 0.000 1.081 477 N HN 0.373 nan 8.380 nan 0.000 0.557 478 I N 0.602 121.227 120.570 0.092 0.000 2.342 478 I HA 0.191 4.361 4.170 0.001 0.000 0.291 478 I C 0.571 176.750 176.117 0.103 0.000 1.010 478 I CA -0.196 61.149 61.300 0.075 0.000 1.308 478 I CB 1.273 39.286 38.000 0.021 0.000 1.400 478 I HN 0.037 nan 8.210 nan 0.000 0.488 479 S N 6.675 122.406 115.700 0.051 0.000 2.480 479 S HA 0.496 4.967 4.470 0.001 0.000 0.286 479 S C 0.104 174.752 174.600 0.080 0.000 1.180 479 S CA -0.533 57.707 58.200 0.066 0.000 1.075 479 S CB 1.024 64.230 63.200 0.010 0.000 0.996 479 S HN 0.246 nan 8.310 nan 0.000 0.487 480 I N 4.798 125.458 120.570 0.150 0.000 2.276 480 I HA 0.209 4.380 4.170 0.001 0.000 0.290 480 I C 0.938 177.194 176.117 0.232 0.000 1.109 480 I CA -0.284 61.136 61.300 0.201 0.000 1.229 480 I CB -0.699 37.495 38.000 0.324 0.000 1.452 480 I HN 0.565 nan 8.210 nan 0.000 0.497 481 T N 3.776 118.401 114.554 0.118 0.000 2.952 481 T HA 0.630 4.980 4.350 0.001 0.000 0.286 481 T C -2.741 171.846 174.700 -0.188 0.000 1.024 481 T CA -2.344 59.793 62.100 0.061 0.000 1.029 481 T CB 1.720 70.592 68.868 0.006 0.000 1.094 481 T HN 0.126 nan 8.240 nan 0.000 0.515 482 P HA 0.186 nan 4.420 nan 0.000 0.262 482 P C -0.554 176.259 177.300 -0.812 0.000 1.182 482 P CA -0.043 62.273 63.100 -1.307 0.000 0.761 482 P CB 0.195 31.068 31.700 -1.377 0.000 0.795 483 N N 1.960 120.198 118.700 -0.770 0.000 2.396 483 N HA 0.141 4.882 4.740 0.001 0.000 0.275 483 N C -1.751 173.680 175.510 -0.131 0.000 1.218 483 N CA -0.719 52.141 53.050 -0.316 0.000 0.812 483 N CB 1.107 39.497 38.487 -0.163 0.000 1.592 483 N HN 0.149 nan 8.380 nan 0.000 0.480 484 Y N 1.149 121.374 120.300 -0.125 0.000 2.365 484 Y HA 0.376 4.926 4.550 0.001 0.000 0.340 484 Y C -0.267 175.658 175.900 0.042 0.000 1.016 484 Y CA -0.203 57.882 58.100 -0.025 0.000 1.196 484 Y CB 0.706 39.161 38.460 -0.008 0.000 1.167 484 Y HN 0.623 nan 8.280 nan 0.000 0.509 485 S N 6.418 121.827 115.700 -0.485 0.000 2.774 485 S HA 0.276 4.747 4.470 0.001 0.000 0.297 485 S C 0.522 174.819 174.600 -0.505 0.000 1.143 485 S CA -0.288 57.708 58.200 -0.341 0.000 1.090 485 S CB 0.297 63.391 63.200 -0.176 0.000 1.019 485 S HN 0.893 nan 8.310 nan 0.000 0.482 486 V N 3.879 123.531 119.914 -0.436 0.000 2.626 486 V HA -0.037 4.084 4.120 0.001 0.000 0.252 486 V C 2.262 178.214 176.094 -0.237 0.000 1.067 486 V CA 2.338 64.451 62.300 -0.311 0.000 1.081 486 V CB -1.386 30.459 31.823 0.037 0.000 0.686 486 V HN 0.975 nan 8.190 nan 0.000 0.468 487 S N 1.349 116.922 115.700 -0.212 0.000 2.359 487 S HA -0.278 4.192 4.470 0.001 0.000 0.224 487 S C 2.166 176.558 174.600 -0.346 0.000 1.035 487 S CA 1.858 59.957 58.200 -0.168 0.000 1.018 487 S CB -0.733 62.447 63.200 -0.034 0.000 0.876 487 S HN 0.684 nan 8.310 nan 0.000 0.448 488 R N 0.722 121.031 120.500 -0.318 0.000 2.119 488 R HA 0.272 4.613 4.340 0.001 0.000 0.222 488 R C 2.396 178.549 176.300 -0.246 0.000 1.088 488 R CA 1.092 56.985 56.100 -0.344 0.000 0.984 488 R CB -0.518 29.642 30.300 -0.233 0.000 0.884 488 R HN 0.407 nan 8.270 nan 0.000 0.447 489 L N 0.430 121.488 121.223 -0.275 0.000 2.201 489 L HA -0.135 4.205 4.340 0.001 0.000 0.212 489 L C 2.151 178.852 176.870 -0.283 0.000 1.105 489 L CA 1.034 55.691 54.840 -0.305 0.000 0.775 489 L CB -0.286 41.582 42.059 -0.319 0.000 0.913 489 L HN 0.185 nan 8.230 nan 0.000 0.440 490 I N -0.961 119.466 120.570 -0.237 0.000 2.315 490 I HA -0.316 3.855 4.170 0.001 0.000 0.248 490 I C 2.425 178.465 176.117 -0.128 0.000 1.117 490 I CA 1.203 62.403 61.300 -0.168 0.000 1.404 490 I CB -0.257 37.583 38.000 -0.267 0.000 1.071 490 I HN 0.149 nan 8.210 nan 0.000 0.419 491 F N 1.250 120.993 119.950 -0.345 0.000 2.126 491 F HA -0.214 4.313 4.527 0.001 0.000 0.299 491 F C 2.288 178.000 175.800 -0.147 0.000 1.096 491 F CA 1.609 59.461 58.000 -0.247 0.000 1.255 491 F CB -0.462 38.300 39.000 -0.396 0.000 0.997 491 F HN -0.213 nan 8.300 nan 0.000 0.479 492 V N 0.696 120.462 119.914 -0.246 0.000 2.295 492 V HA -0.271 3.849 4.120 0.001 0.000 0.246 492 V C 2.505 178.405 176.094 -0.324 0.000 1.049 492 V CA 2.339 64.450 62.300 -0.315 0.000 1.024 492 V CB -0.733 30.899 31.823 -0.319 0.000 0.648 492 V HN 0.303 nan 8.190 nan 0.000 0.447 493 R N -0.755 119.518 120.500 -0.378 0.000 2.080 493 R HA -0.027 4.314 4.340 0.001 0.000 0.222 493 R C 2.029 177.956 176.300 -0.622 0.000 1.107 493 R CA 1.562 57.409 56.100 -0.423 0.000 0.980 493 R CB -0.390 29.600 30.300 -0.517 0.000 0.879 493 R HN 0.582 nan 8.270 nan 0.000 0.439 494 H N -1.235 117.575 119.070 -0.433 0.000 2.652 494 H HA 0.309 4.865 4.556 0.001 0.000 0.274 494 H C 0.697 175.636 175.328 -0.647 0.000 1.021 494 H CA 0.549 56.132 56.048 -0.775 0.000 1.187 494 H CB 0.668 29.605 29.762 -1.375 0.000 1.505 494 H HN 0.220 nan 8.280 nan 0.000 0.530 495 M N -1.306 118.114 119.600 -0.301 0.000 2.289 495 M HA 0.225 4.705 4.480 0.001 0.000 0.335 495 M C 1.004 177.133 176.300 -0.283 0.000 0.961 495 M CA 0.267 55.458 55.300 -0.182 0.000 1.018 495 M CB 1.777 34.363 32.600 -0.024 0.000 1.678 495 M HN 0.229 nan 8.290 nan 0.000 0.589 496 G N 1.275 109.889 108.800 -0.310 0.000 2.160 496 G HA2 -0.204 3.756 3.960 0.001 0.000 0.251 496 G HA3 -0.204 3.756 3.960 0.001 0.000 0.251 496 G C 0.312 175.054 174.900 -0.263 0.000 1.008 496 G CA 0.008 44.985 45.100 -0.204 0.000 0.724 496 G HN 0.606 nan 8.290 nan 0.000 0.514 497 G N -1.551 106.868 108.800 -0.634 0.000 2.599 497 G HA2 0.596 4.556 3.960 0.001 0.000 0.264 497 G HA3 0.596 4.556 3.960 0.001 0.000 0.264 497 G C -0.162 174.631 174.900 -0.177 0.000 1.200 497 G CA 0.097 44.736 45.100 -0.768 0.000 0.896 497 G HN 0.949 nan 8.290 nan 0.000 0.536 498 V N 1.110 121.120 119.914 0.161 0.000 2.448 498 V HA 0.366 4.486 4.120 0.001 0.000 0.295 498 V C -0.214 176.119 176.094 0.399 0.000 1.025 498 V CA -0.689 61.760 62.300 0.248 0.000 0.859 498 V CB 1.361 33.335 31.823 0.251 0.000 0.988 498 V HN 0.670 nan 8.190 nan 0.000 0.431 499 L N 4.992 126.381 121.223 0.277 0.000 2.325 499 L HA 0.917 5.257 4.340 0.001 0.000 0.279 499 L C 0.057 177.009 176.870 0.136 0.000 1.054 499 L CA 0.215 55.214 54.840 0.265 0.000 0.804 499 L CB 1.292 43.421 42.059 0.117 0.000 1.200 499 L HN 0.792 nan 8.230 nan 0.000 0.436 500 A N 4.344 127.281 122.820 0.194 0.000 2.486 500 A HA 0.796 5.116 4.320 0.001 0.000 0.300 500 A C -1.702 176.029 177.584 0.245 0.000 1.048 500 A CA -0.544 51.570 52.037 0.129 0.000 0.696 500 A CB 1.857 20.895 19.000 0.064 0.000 1.278 500 A HN 0.512 nan 8.150 nan 0.000 0.405 501 V N 1.554 121.631 119.914 0.271 0.000 2.447 501 V HA 0.656 4.776 4.120 0.001 0.000 0.292 501 V C 0.266 176.579 176.094 0.366 0.000 1.021 501 V CA -0.279 62.280 62.300 0.431 0.000 0.850 501 V CB 1.368 33.536 31.823 0.576 0.000 1.005 501 V HN 1.349 nan 8.190 nan 0.000 0.426 502 A N 3.519 126.574 122.820 0.391 0.000 2.276 502 A HA 0.594 4.915 4.320 0.001 0.000 0.316 502 A C 0.151 177.944 177.584 0.348 0.000 1.229 502 A CA -0.509 51.747 52.037 0.365 0.000 0.851 502 A CB 0.056 19.321 19.000 0.442 0.000 1.165 502 A HN 0.877 nan 8.150 nan 0.000 0.513 503 N N 2.374 121.235 118.700 0.269 0.000 3.331 503 N HA 0.252 4.992 4.740 0.001 0.000 0.303 503 N C 0.356 176.141 175.510 0.459 0.000 1.326 503 N CA -0.234 52.993 53.050 0.296 0.000 1.207 503 N CB -0.061 38.514 38.487 0.147 0.000 1.477 503 N HN 0.797 nan 8.380 nan 0.000 0.541 504 I N -2.456 118.320 120.570 0.343 0.000 3.246 504 I HA 0.142 4.312 4.170 0.001 0.000 0.280 504 I C 0.596 176.726 176.117 0.021 0.000 1.239 504 I CA -0.654 60.761 61.300 0.192 0.000 1.336 504 I CB 0.719 38.773 38.000 0.092 0.000 1.383 504 I HN 0.085 nan 8.210 nan 0.000 0.617 505 R N 1.499 121.719 120.500 -0.467 0.000 2.774 505 R HA 0.336 4.676 4.340 0.001 0.000 0.269 505 R C 1.095 177.112 176.300 -0.471 0.000 1.068 505 R CA 0.929 56.472 56.100 -0.928 0.000 1.180 505 R CB 0.330 30.026 30.300 -1.006 0.000 1.077 505 R HN 1.072 nan 8.270 nan 0.000 0.513 506 G N -0.091 108.484 108.800 -0.375 0.000 2.308 506 G HA2 -0.229 3.732 3.960 0.001 0.000 0.221 506 G HA3 -0.229 3.732 3.960 0.001 0.000 0.221 506 G C 0.493 175.432 174.900 0.066 0.000 1.032 506 G CA -0.244 44.752 45.100 -0.174 0.000 0.623 506 G HN 0.884 nan 8.290 nan 0.000 0.506 507 G N -0.410 108.485 108.800 0.158 0.000 2.588 507 G HA2 0.566 4.526 3.960 0.001 0.000 0.278 507 G HA3 0.566 4.526 3.960 0.001 0.000 0.278 507 G C 1.007 176.130 174.900 0.371 0.000 1.307 507 G CA 0.242 45.519 45.100 0.294 0.000 1.016 507 G HN 1.331 nan 8.290 nan 0.000 0.503 508 G N -1.474 107.469 108.800 0.239 0.000 3.453 508 G HA2 0.273 4.233 3.960 0.001 0.000 0.263 508 G HA3 0.273 4.233 3.960 0.001 0.000 0.263 508 G C 0.933 175.869 174.900 0.059 0.000 1.060 508 G CA 0.125 45.331 45.100 0.177 0.000 0.793 508 G HN 0.527 nan 8.290 nan 0.000 0.532 509 E N 0.181 120.354 120.200 -0.046 0.000 2.130 509 E HA -0.140 4.211 4.350 0.001 0.000 0.196 509 E C 0.189 176.276 176.600 -0.855 0.000 0.998 509 E CA 1.176 57.282 56.400 -0.490 0.000 0.806 509 E CB -0.171 29.149 29.700 -0.635 0.000 0.738 509 E HN 0.603 nan 8.360 nan 0.000 0.459 510 Y N -0.365 119.694 120.300 -0.403 0.000 2.617 510 Y HA 0.436 4.987 4.550 0.001 0.000 0.328 510 Y C 0.802 176.758 175.900 0.093 0.000 0.946 510 Y CA -0.122 57.840 58.100 -0.229 0.000 1.241 510 Y CB 0.723 38.902 38.460 -0.467 0.000 1.226 510 Y HN 0.121 nan 8.280 nan 0.000 0.582 511 G N 0.623 109.549 108.800 0.211 0.000 2.698 511 G HA2 -0.371 3.589 3.960 0.001 0.000 0.233 511 G HA3 -0.371 3.589 3.960 0.001 0.000 0.233 511 G C 0.677 175.760 174.900 0.306 0.000 1.352 511 G CA 0.253 45.524 45.100 0.285 0.000 0.879 511 G HN 0.344 nan 8.290 nan 0.000 0.567 512 E N -0.377 119.959 120.200 0.226 0.000 2.265 512 E HA -0.055 4.296 4.350 0.001 0.000 0.196 512 E C 2.737 179.440 176.600 0.172 0.000 0.996 512 E CA 2.644 59.160 56.400 0.194 0.000 0.832 512 E CB -0.417 29.320 29.700 0.061 0.000 0.756 512 E HN 0.900 nan 8.360 nan 0.000 0.491 513 T N -2.711 111.949 114.554 0.177 0.000 2.896 513 T HA -0.130 4.221 4.350 0.001 0.000 0.263 513 T C 1.841 176.662 174.700 0.202 0.000 1.050 513 T CA 0.717 62.902 62.100 0.141 0.000 1.140 513 T CB -0.860 68.087 68.868 0.132 0.000 0.877 513 T HN 0.384 nan 8.240 nan 0.000 0.457 514 W N 1.891 123.243 121.300 0.086 0.000 2.355 514 W HA -0.210 4.451 4.660 0.001 0.000 0.309 514 W C 2.380 178.935 176.519 0.061 0.000 1.206 514 W CA 1.595 58.995 57.345 0.091 0.000 1.284 514 W CB -0.498 29.065 29.460 0.172 0.000 1.145 514 W HN 0.510 nan 8.180 nan 0.000 0.502 515 H N 0.578 119.725 119.070 0.130 0.000 2.290 515 H HA -0.185 4.371 4.556 0.001 0.000 0.298 515 H C 2.171 177.406 175.328 -0.155 0.000 1.087 515 H CA 2.004 58.032 56.048 -0.034 0.000 1.291 515 H CB -0.128 29.640 29.762 0.010 0.000 1.369 515 H HN 0.069 nan 8.280 nan 0.000 0.492 516 K N -0.218 120.045 120.400 -0.229 0.000 2.209 516 K HA -0.069 4.252 4.320 0.001 0.000 0.204 516 K C 2.126 178.528 176.600 -0.331 0.000 1.048 516 K CA 0.848 56.924 56.287 -0.350 0.000 0.940 516 K CB -0.038 32.334 32.500 -0.214 0.000 0.729 516 K HN 0.365 nan 8.250 nan 0.000 0.451 517 G N 0.043 108.663 108.800 -0.299 0.000 2.920 517 G HA2 -0.033 3.927 3.960 0.001 0.000 0.208 517 G HA3 -0.033 3.927 3.960 0.001 0.000 0.208 517 G C 0.721 175.361 174.900 -0.433 0.000 1.159 517 G CA 0.383 45.275 45.100 -0.346 0.000 0.784 517 G HN 0.350 nan 8.290 nan 0.000 0.535 518 G N 0.395 108.924 108.800 -0.452 0.000 4.379 518 G HA2 0.498 4.459 3.960 0.001 0.000 0.290 518 G HA3 0.498 4.459 3.960 0.001 0.000 0.290 518 G C 0.037 174.643 174.900 -0.490 0.000 1.065 518 G CA -0.347 44.462 45.100 -0.485 0.000 0.833 518 G HN 0.458 nan 8.290 nan 0.000 0.512 519 I N -3.532 116.743 120.570 -0.493 0.000 3.108 519 I HA 0.740 4.911 4.170 0.001 0.000 0.312 519 I C 0.879 176.702 176.117 -0.489 0.000 1.095 519 I CA -1.270 59.740 61.300 -0.483 0.000 1.000 519 I CB 1.516 39.181 38.000 -0.559 0.000 1.229 519 I HN 0.080 nan 8.210 nan 0.000 0.454 520 L N 0.499 121.474 121.223 -0.413 0.000 6.079 520 L HA -0.385 3.955 4.340 0.001 0.000 0.053 520 L C 1.853 177.975 176.870 -1.245 0.000 2.483 520 L CA 1.346 55.803 54.840 -0.637 0.000 1.581 520 L CB -1.779 39.938 42.059 -0.570 0.000 2.843 520 L HN 0.955 nan 8.230 nan 0.000 1.020 521 A N -0.451 121.283 122.820 -1.810 0.000 2.067 521 A HA -0.038 4.282 4.320 0.001 0.000 0.219 521 A C 1.327 178.435 177.584 -0.793 0.000 1.158 521 A CA 1.873 52.842 52.037 -1.780 0.000 0.661 521 A CB -0.517 17.808 19.000 -1.125 0.000 0.801 521 A HN 0.669 nan 8.150 nan 0.000 0.452 522 N N -0.609 117.727 118.700 -0.607 0.000 2.235 522 N HA 0.021 4.762 4.740 0.001 0.000 0.209 522 N C 1.080 176.313 175.510 -0.462 0.000 1.122 522 N CA 0.288 53.076 53.050 -0.438 0.000 0.845 522 N CB 0.509 38.765 38.487 -0.384 0.000 1.004 522 N HN 0.363 nan 8.380 nan 0.000 0.499 523 K N 1.576 121.674 120.400 -0.503 0.000 2.152 523 K HA -0.163 4.157 4.320 0.001 0.000 0.206 523 K C 1.899 178.020 176.600 -0.798 0.000 1.048 523 K CA 1.216 57.118 56.287 -0.642 0.000 0.933 523 K CB 0.016 32.164 32.500 -0.586 0.000 0.721 523 K HN -0.014 nan 8.250 nan 0.000 0.447 524 Q N 0.580 120.109 119.800 -0.452 0.000 2.224 524 Q HA -0.054 4.286 4.340 0.001 0.000 0.203 524 Q C 1.308 177.144 176.000 -0.274 0.000 0.970 524 Q CA 1.463 57.136 55.803 -0.216 0.000 0.865 524 Q CB -0.312 28.420 28.738 -0.009 0.000 0.922 524 Q HN 0.362 nan 8.270 nan 0.000 0.445 525 N N -0.396 118.105 118.700 -0.332 0.000 2.091 525 N HA -0.194 4.546 4.740 0.001 0.000 0.193 525 N C 1.666 176.961 175.510 -0.358 0.000 1.021 525 N CA 1.706 54.573 53.050 -0.306 0.000 0.862 525 N CB -0.877 37.405 38.487 -0.342 0.000 1.018 525 N HN 0.382 nan 8.380 nan 0.000 0.429 526 C N 0.356 119.310 119.300 -0.577 0.000 2.413 526 C HA -0.103 4.357 4.460 0.001 0.000 0.276 526 C C 2.516 177.278 174.990 -0.379 0.000 1.236 526 C CA 0.251 58.925 59.018 -0.573 0.000 1.735 526 C CB -1.638 25.583 27.740 -0.866 0.000 2.031 526 C HN 0.288 nan 8.230 nan 0.000 0.474 527 F N 1.603 121.463 119.950 -0.150 0.000 2.146 527 F HA -0.073 4.454 4.527 0.001 0.000 0.298 527 F C 2.182 178.014 175.800 0.055 0.000 1.096 527 F CA 1.332 59.304 58.000 -0.046 0.000 1.275 527 F CB -1.264 37.681 39.000 -0.092 0.000 1.008 527 F HN 0.201 nan 8.300 nan 0.000 0.480 528 D N 0.334 120.821 120.400 0.145 0.000 2.097 528 D HA -0.146 4.495 4.640 0.001 0.000 0.197 528 D C 1.842 178.232 176.300 0.150 0.000 0.984 528 D CA 1.458 55.531 54.000 0.123 0.000 0.826 528 D CB -0.540 40.287 40.800 0.046 0.000 0.973 528 D HN 0.160 nan 8.370 nan 0.000 0.460 529 D N -0.267 120.202 120.400 0.115 0.000 2.123 529 D HA -0.160 4.480 4.640 0.001 0.000 0.196 529 D C 1.798 178.314 176.300 0.361 0.000 0.992 529 D CA 0.510 54.642 54.000 0.220 0.000 0.833 529 D CB -0.392 40.472 40.800 0.106 0.000 0.954 529 D HN 0.157 nan 8.370 nan 0.000 0.455 530 F N 1.302 121.322 119.950 0.117 0.000 2.206 530 F HA -0.071 4.457 4.527 0.001 0.000 0.298 530 F C 2.357 178.240 175.800 0.138 0.000 1.090 530 F CA 1.117 59.187 58.000 0.117 0.000 1.323 530 F CB -0.196 38.847 39.000 0.072 0.000 1.028 530 F HN -0.081 nan 8.300 nan 0.000 0.492 531 Q N -1.219 118.719 119.800 0.230 0.000 2.079 531 Q HA -0.212 4.128 4.340 0.001 0.000 0.200 531 Q C 2.438 178.444 176.000 0.010 0.000 0.974 531 Q CA 1.886 57.775 55.803 0.143 0.000 0.840 531 Q CB -0.568 28.274 28.738 0.174 0.000 0.898 531 Q HN 0.401 nan 8.270 nan 0.000 0.430 532 C N 0.171 119.503 119.300 0.054 0.000 2.422 532 C HA -0.093 4.367 4.460 0.001 0.000 0.279 532 C C 2.815 177.607 174.990 -0.330 0.000 1.305 532 C CA 0.660 59.684 59.018 0.010 0.000 1.757 532 C CB -1.139 26.745 27.740 0.240 0.000 1.962 532 C HN 0.617 nan 8.230 nan 0.000 0.499 533 A N 0.692 123.201 122.820 -0.519 0.000 1.877 533 A HA 0.064 4.384 4.320 0.001 0.000 0.216 533 A C 2.398 179.732 177.584 -0.416 0.000 1.186 533 A CA 2.035 53.533 52.037 -0.897 0.000 0.620 533 A CB -0.977 17.697 19.000 -0.543 0.000 0.822 533 A HN 0.554 nan 8.150 nan 0.000 0.443 534 A N 0.183 122.819 122.820 -0.307 0.000 1.883 534 A HA -0.232 4.088 4.320 0.001 0.000 0.217 534 A C 1.896 179.407 177.584 -0.122 0.000 1.186 534 A CA 1.806 53.743 52.037 -0.167 0.000 0.624 534 A CB -0.643 18.315 19.000 -0.069 0.000 0.822 534 A HN 0.676 nan 8.150 nan 0.000 0.444 535 E N -1.895 118.232 120.200 -0.122 0.000 2.150 535 E HA -0.189 4.161 4.350 0.001 0.000 0.193 535 E C 1.861 178.441 176.600 -0.033 0.000 0.985 535 E CA 1.293 57.645 56.400 -0.079 0.000 0.814 535 E CB -0.325 29.340 29.700 -0.057 0.000 0.752 535 E HN 0.824 nan 8.360 nan 0.000 0.466 536 Y N 1.768 121.965 120.300 -0.172 0.000 2.145 536 Y HA -0.190 4.361 4.550 0.001 0.000 0.286 536 Y C 1.982 177.869 175.900 -0.020 0.000 1.145 536 Y CA 1.388 59.419 58.100 -0.115 0.000 1.148 536 Y CB -0.171 38.138 38.460 -0.252 0.000 0.981 536 Y HN -0.085 nan 8.280 nan 0.000 0.507 537 L N -0.320 120.990 121.223 0.144 0.000 2.042 537 L HA -0.251 4.090 4.340 0.001 0.000 0.210 537 L C 2.394 179.324 176.870 0.101 0.000 1.076 537 L CA 1.573 56.516 54.840 0.173 0.000 0.749 537 L CB -0.583 41.546 42.059 0.116 0.000 0.893 537 L HN 0.304 nan 8.230 nan 0.000 0.432 538 I N -0.256 120.320 120.570 0.010 0.000 2.202 538 I HA -0.293 3.877 4.170 0.001 0.000 0.242 538 I C 2.697 178.776 176.117 -0.063 0.000 1.091 538 I CA 1.331 62.618 61.300 -0.021 0.000 1.368 538 I CB -0.283 37.686 38.000 -0.052 0.000 1.058 538 I HN 0.204 nan 8.210 nan 0.000 0.410 539 K N 0.794 121.133 120.400 -0.102 0.000 2.097 539 K HA -0.170 4.151 4.320 0.001 0.000 0.206 539 K C 1.736 178.229 176.600 -0.177 0.000 1.049 539 K CA 1.244 57.455 56.287 -0.126 0.000 0.933 539 K CB 0.135 32.563 32.500 -0.120 0.000 0.717 539 K HN 0.179 nan 8.250 nan 0.000 0.442 540 E N -0.585 119.459 120.200 -0.259 0.000 2.502 540 E HA -0.003 4.348 4.350 0.001 0.000 0.194 540 E C 0.899 177.331 176.600 -0.280 0.000 1.062 540 E CA 0.824 57.048 56.400 -0.293 0.000 0.867 540 E CB 0.498 29.954 29.700 -0.407 0.000 0.888 540 E HN 0.590 nan 8.360 nan 0.000 0.510 541 G N 0.940 109.634 108.800 -0.177 0.000 2.136 541 G HA2 -0.338 3.623 3.960 0.001 0.000 0.242 541 G HA3 -0.338 3.623 3.960 0.001 0.000 0.242 541 G C 0.628 175.434 174.900 -0.157 0.000 0.989 541 G CA 0.472 45.477 45.100 -0.158 0.000 0.682 541 G HN 0.305 nan 8.290 nan 0.000 0.522 542 Y N -0.013 120.284 120.300 -0.005 0.000 2.242 542 Y HA 0.305 4.855 4.550 0.001 0.000 0.291 542 Y C 2.104 178.087 175.900 0.138 0.000 1.137 542 Y CA 2.074 60.214 58.100 0.067 0.000 1.181 542 Y CB 0.199 38.689 38.460 0.050 0.000 0.989 542 Y HN 0.422 nan 8.280 nan 0.000 0.527 543 T N -2.342 112.334 114.554 0.204 0.000 2.645 543 T HA 0.588 4.939 4.350 0.001 0.000 0.300 543 T C -1.228 173.510 174.700 0.063 0.000 1.210 543 T CA -0.699 61.492 62.100 0.152 0.000 1.034 543 T CB 1.216 70.204 68.868 0.199 0.000 1.537 543 T HN -0.135 nan 8.240 nan 0.000 0.492 544 S N 1.098 116.827 115.700 0.049 0.000 2.570 544 S HA 0.540 5.010 4.470 0.001 0.000 0.286 544 S C -2.035 172.574 174.600 0.014 0.000 1.099 544 S CA -1.136 57.071 58.200 0.010 0.000 0.913 544 S CB 2.031 65.229 63.200 -0.004 0.000 1.085 544 S HN 0.572 nan 8.310 nan 0.000 0.480 545 P HA -0.180 nan 4.420 nan 0.000 0.216 545 P C 1.231 178.536 177.300 0.010 0.000 1.150 545 P CA 1.243 64.315 63.100 -0.048 0.000 0.843 545 P CB 0.005 31.644 31.700 -0.102 0.000 0.787 546 K N 0.139 120.550 120.400 0.019 0.000 2.432 546 K HA -0.028 4.292 4.320 0.001 0.000 0.196 546 K C 1.379 178.026 176.600 0.078 0.000 1.038 546 K CA 0.886 57.199 56.287 0.043 0.000 0.986 546 K CB -0.130 32.387 32.500 0.029 0.000 0.782 546 K HN 0.133 nan 8.250 nan 0.000 0.485 547 R N 0.610 121.165 120.500 0.092 0.000 2.397 547 R HA 0.213 4.553 4.340 0.001 0.000 0.241 547 R C -0.279 176.141 176.300 0.199 0.000 0.914 547 R CA -0.403 55.782 56.100 0.141 0.000 1.071 547 R CB 0.270 30.645 30.300 0.126 0.000 1.116 547 R HN 0.021 nan 8.270 nan 0.000 0.524 548 L N 1.124 122.450 121.223 0.172 0.000 2.282 548 L HA 0.345 4.685 4.340 0.001 0.000 0.288 548 L C -0.678 176.311 176.870 0.197 0.000 1.033 548 L CA 0.226 55.183 54.840 0.196 0.000 0.807 548 L CB 1.778 43.938 42.059 0.168 0.000 1.209 548 L HN -0.130 nan 8.230 nan 0.000 0.423 549 T N 6.584 121.231 114.554 0.156 0.000 2.823 549 T HA 0.656 5.006 4.350 0.001 0.000 0.279 549 T C -0.205 174.407 174.700 -0.147 0.000 0.998 549 T CA -0.264 61.855 62.100 0.031 0.000 0.994 549 T CB 1.004 69.888 68.868 0.026 0.000 0.960 549 T HN 0.588 nan 8.240 nan 0.000 0.448 550 I N 0.819 121.260 120.570 -0.216 0.000 2.693 550 I HA 0.719 4.889 4.170 0.001 0.000 0.303 550 I C -0.548 175.366 176.117 -0.339 0.000 1.025 550 I CA -0.835 60.300 61.300 -0.275 0.000 1.086 550 I CB 2.130 40.000 38.000 -0.217 0.000 1.268 550 I HN 0.499 nan 8.210 nan 0.000 0.440 551 N N 2.675 121.176 118.700 -0.331 0.000 2.308 551 N HA 0.710 5.451 4.740 0.001 0.000 0.283 551 N C -1.347 174.047 175.510 -0.193 0.000 1.105 551 N CA -0.392 52.501 53.050 -0.262 0.000 0.840 551 N CB 2.745 40.992 38.487 -0.400 0.000 1.633 551 N HN 1.109 nan 8.380 nan 0.000 0.476 552 G N 0.156 108.857 108.800 -0.165 0.000 2.673 552 G HA2 0.604 4.565 3.960 0.001 0.000 0.292 552 G HA3 0.604 4.565 3.960 0.001 0.000 0.292 552 G C -1.420 173.443 174.900 -0.061 0.000 1.450 552 G CA -0.662 44.275 45.100 -0.272 0.000 0.837 552 G HN 0.546 nan 8.290 nan 0.000 0.505 553 G N -0.675 108.140 108.800 0.025 0.000 2.470 553 G HA2 0.807 4.767 3.960 0.001 0.000 0.320 553 G HA3 0.807 4.767 3.960 0.001 0.000 0.320 553 G C 0.601 175.533 174.900 0.053 0.000 1.245 553 G CA 1.094 46.219 45.100 0.043 0.000 0.935 553 G HN 2.251 nan 8.290 nan 0.000 0.476 554 A N 2.874 125.690 122.820 -0.006 0.000 5.090 554 A HA -0.347 3.974 4.320 0.001 0.000 0.306 554 A C 2.049 179.554 177.584 -0.132 0.000 1.990 554 A CA 2.035 54.074 52.037 0.005 0.000 0.714 554 A CB -1.568 17.523 19.000 0.152 0.000 1.281 554 A HN 1.658 nan 8.150 nan 0.000 0.362 555 N N 0.794 119.376 118.700 -0.197 0.000 2.272 555 N HA 0.083 4.823 4.740 0.001 0.000 0.185 555 N C 1.511 176.767 175.510 -0.423 0.000 1.014 555 N CA 2.630 55.478 53.050 -0.336 0.000 0.870 555 N CB -0.576 37.607 38.487 -0.507 0.000 0.975 555 N HN 1.078 nan 8.380 nan 0.000 0.433 556 G N -1.376 107.222 108.800 -0.337 0.000 2.623 556 G HA2 0.015 3.976 3.960 0.001 0.000 0.214 556 G HA3 0.015 3.976 3.960 0.001 0.000 0.214 556 G C 1.323 176.068 174.900 -0.258 0.000 1.138 556 G CA 0.400 45.310 45.100 -0.317 0.000 0.794 556 G HN 0.409 nan 8.290 nan 0.000 0.535 557 G N 1.063 109.759 108.800 -0.174 0.000 2.396 557 G HA2 -0.033 3.927 3.960 0.001 0.000 0.214 557 G HA3 -0.033 3.927 3.960 0.001 0.000 0.214 557 G C 1.685 176.476 174.900 -0.182 0.000 1.166 557 G CA 0.856 45.869 45.100 -0.146 0.000 0.793 557 G HN 0.392 nan 8.290 nan 0.000 0.533 558 L N 0.598 121.700 121.223 -0.201 0.000 2.013 558 L HA -0.045 4.295 4.340 0.001 0.000 0.212 558 L C 2.510 179.295 176.870 -0.141 0.000 1.073 558 L CA 2.004 56.727 54.840 -0.196 0.000 0.753 558 L CB -0.676 41.277 42.059 -0.176 0.000 0.890 558 L HN 0.192 nan 8.230 nan 0.000 0.432 559 L N -0.356 120.784 121.223 -0.138 0.000 1.971 559 L HA -0.172 4.169 4.340 0.001 0.000 0.215 559 L C 2.570 179.330 176.870 -0.184 0.000 1.072 559 L CA 2.519 57.301 54.840 -0.097 0.000 0.758 559 L CB -0.922 40.888 42.059 -0.415 0.000 0.889 559 L HN 0.360 nan 8.230 nan 0.000 0.433 560 V N -2.347 117.414 119.914 -0.255 0.000 2.548 560 V HA -0.029 4.092 4.120 0.001 0.000 0.249 560 V C 2.459 178.455 176.094 -0.163 0.000 1.055 560 V CA 1.334 63.505 62.300 -0.215 0.000 1.065 560 V CB -1.682 30.012 31.823 -0.214 0.000 0.681 560 V HN 0.490 nan 8.190 nan 0.000 0.462 561 A N 0.748 123.490 122.820 -0.130 0.000 1.873 561 A HA -0.133 4.188 4.320 0.001 0.000 0.215 561 A C 2.361 179.888 177.584 -0.096 0.000 1.186 561 A CA 2.545 54.559 52.037 -0.038 0.000 0.616 561 A CB -1.338 17.510 19.000 -0.253 0.000 0.823 561 A HN 0.528 nan 8.150 nan 0.000 0.442 562 T N -0.798 113.597 114.554 -0.265 0.000 2.788 562 T HA -0.166 4.184 4.350 0.001 0.000 0.268 562 T C 1.891 176.426 174.700 -0.274 0.000 1.044 562 T CA 1.560 63.421 62.100 -0.399 0.000 1.139 562 T CB -0.612 67.636 68.868 -1.032 0.000 0.867 562 T HN 0.575 nan 8.240 nan 0.000 0.454 563 C N 1.571 120.758 119.300 -0.188 0.000 2.425 563 C HA 0.083 4.543 4.460 0.001 0.000 0.277 563 C C 3.167 178.189 174.990 0.054 0.000 1.280 563 C CA 0.274 59.288 59.018 -0.007 0.000 1.744 563 C CB -1.414 26.347 27.740 0.035 0.000 1.989 563 C HN 0.651 nan 8.230 nan 0.000 0.491 564 A N 1.426 124.208 122.820 -0.063 0.000 1.908 564 A HA -0.210 4.111 4.320 0.001 0.000 0.218 564 A C 1.927 179.386 177.584 -0.209 0.000 1.181 564 A CA 2.108 54.107 52.037 -0.064 0.000 0.627 564 A CB -0.608 18.384 19.000 -0.013 0.000 0.818 564 A HN 0.645 nan 8.150 nan 0.000 0.445 565 N N -0.239 118.423 118.700 -0.062 0.000 2.120 565 N HA -0.139 4.602 4.740 0.001 0.000 0.188 565 N C 1.946 177.434 175.510 -0.037 0.000 1.024 565 N CA 1.653 54.699 53.050 -0.007 0.000 0.852 565 N CB -0.412 38.147 38.487 0.119 0.000 1.003 565 N HN 0.683 nan 8.380 nan 0.000 0.424 566 Q N -0.425 119.362 119.800 -0.021 0.000 2.137 566 Q HA 0.112 4.453 4.340 0.001 0.000 0.198 566 Q C 0.101 176.110 176.000 0.015 0.000 0.960 566 Q CA 0.790 56.596 55.803 0.006 0.000 0.847 566 Q CB 0.452 29.193 28.738 0.005 0.000 0.915 566 Q HN 0.063 nan 8.270 nan 0.000 0.448 567 R N 0.391 120.920 120.500 0.048 0.000 2.653 567 R HA 0.186 4.527 4.340 0.001 0.000 0.269 567 R C -2.200 174.083 176.300 -0.030 0.000 1.603 567 R CA -1.514 54.585 56.100 -0.002 0.000 1.671 567 R CB 0.740 31.026 30.300 -0.024 0.000 1.300 567 R HN 0.127 nan 8.270 nan 0.000 0.668 568 P HA -0.160 nan 4.420 nan 0.000 0.220 568 P C 0.674 177.917 177.300 -0.095 0.000 1.148 568 P CA 1.108 64.121 63.100 -0.144 0.000 0.803 568 P CB 0.285 31.780 31.700 -0.341 0.000 0.782 569 D N -0.360 119.966 120.400 -0.123 0.000 2.310 569 D HA -0.131 4.510 4.640 0.001 0.000 0.212 569 D C 1.712 177.872 176.300 -0.233 0.000 0.965 569 D CA 0.508 54.430 54.000 -0.131 0.000 0.879 569 D CB -0.686 40.051 40.800 -0.104 0.000 0.921 569 D HN 0.131 nan 8.370 nan 0.000 0.510 570 L N -0.911 120.036 121.223 -0.459 0.000 2.446 570 L HA 0.265 4.606 4.340 0.001 0.000 0.219 570 L C -0.435 175.902 176.870 -0.887 0.000 1.116 570 L CA 0.431 54.792 54.840 -0.799 0.000 0.844 570 L CB -0.055 41.302 42.059 -1.171 0.000 0.970 570 L HN -0.177 nan 8.230 nan 0.000 0.457 571 F N -2.324 117.605 119.950 -0.035 0.000 2.556 571 F HA 0.550 5.078 4.527 0.001 0.000 0.314 571 F C 1.211 177.014 175.800 0.004 0.000 1.106 571 F CA -0.731 57.258 58.000 -0.019 0.000 0.911 571 F CB 1.187 40.173 39.000 -0.023 0.000 1.190 571 F HN -0.279 nan 8.300 nan 0.000 0.448 572 G N -0.155 108.759 108.800 0.189 0.000 2.492 572 G HA2 0.097 4.057 3.960 0.001 0.000 0.214 572 G HA3 0.097 4.057 3.960 0.001 0.000 0.214 572 G C -0.304 174.686 174.900 0.150 0.000 1.147 572 G CA 0.497 45.680 45.100 0.139 0.000 0.809 572 G HN 0.635 nan 8.290 nan 0.000 0.533 573 C N -0.189 119.214 119.300 0.172 0.000 2.782 573 C HA 0.693 5.153 4.460 0.001 0.000 0.328 573 C C -1.331 173.731 174.990 0.121 0.000 1.145 573 C CA -0.680 58.440 59.018 0.170 0.000 1.358 573 C CB 1.145 28.977 27.740 0.153 0.000 1.841 573 C HN 0.088 nan 8.230 nan 0.000 0.477 574 V N 6.678 126.675 119.914 0.137 0.000 2.525 574 V HA 0.515 4.636 4.120 0.001 0.000 0.299 574 V C -0.496 175.606 176.094 0.014 0.000 1.034 574 V CA -0.233 62.074 62.300 0.011 0.000 0.863 574 V CB 1.660 33.478 31.823 -0.007 0.000 0.999 574 V HN 0.742 nan 8.190 nan 0.000 0.423 575 I N 4.235 124.766 120.570 -0.066 0.000 2.382 575 I HA 0.711 4.882 4.170 0.001 0.000 0.286 575 I C 0.287 176.358 176.117 -0.078 0.000 1.002 575 I CA -0.463 60.787 61.300 -0.084 0.000 1.135 575 I CB 1.765 39.714 38.000 -0.085 0.000 1.288 575 I HN 0.678 nan 8.210 nan 0.000 0.448 576 A N 6.574 129.361 122.820 -0.056 0.000 2.273 576 A HA 0.606 4.927 4.320 0.001 0.000 0.315 576 A C -0.547 177.022 177.584 -0.025 0.000 1.256 576 A CA -0.503 51.511 52.037 -0.039 0.000 0.851 576 A CB 0.606 19.610 19.000 0.006 0.000 1.172 576 A HN 0.713 nan 8.150 nan 0.000 0.508 577 Q N 1.362 121.149 119.800 -0.023 0.000 2.290 577 Q HA 0.449 4.789 4.340 0.001 0.000 0.259 577 Q C 0.410 176.399 176.000 -0.019 0.000 0.941 577 Q CA -0.322 55.472 55.803 -0.015 0.000 0.912 577 Q CB 2.047 30.781 28.738 -0.007 0.000 1.244 577 Q HN 1.561 nan 8.270 nan 0.000 0.441 578 V N -0.161 119.757 119.914 0.006 0.000 5.359 578 V HA -0.233 3.887 4.120 0.001 0.000 0.278 578 V C 0.250 176.374 176.094 0.050 0.000 0.622 578 V CA 0.828 63.160 62.300 0.052 0.000 0.649 578 V CB -2.401 29.444 31.823 0.038 0.000 0.408 578 V HN 0.835 nan 8.190 nan 0.000 0.918 579 G N -0.217 108.584 108.800 0.001 0.000 2.476 579 G HA2 0.571 4.531 3.960 0.001 0.000 0.269 579 G HA3 0.571 4.531 3.960 0.001 0.000 0.269 579 G C -0.247 174.555 174.900 -0.163 0.000 1.195 579 G CA -0.259 44.792 45.100 -0.082 0.000 0.843 579 G HN 1.267 nan 8.290 nan 0.000 0.545 580 V N 3.597 123.343 119.914 -0.279 0.000 2.387 580 V HA 0.105 4.225 4.120 0.001 0.000 0.260 580 V C 0.601 176.512 176.094 -0.304 0.000 1.054 580 V CA -0.226 61.796 62.300 -0.464 0.000 0.967 580 V CB 1.038 32.618 31.823 -0.405 0.000 1.036 580 V HN 0.706 nan 8.190 nan 0.000 0.481 581 M N 1.191 120.715 119.600 -0.126 0.000 2.538 581 M HA 0.279 4.759 4.480 0.001 0.000 0.259 581 M C 0.583 176.905 176.300 0.037 0.000 1.217 581 M CA 0.349 55.557 55.300 -0.153 0.000 1.131 581 M CB -0.149 32.275 32.600 -0.294 0.000 1.382 581 M HN 0.542 nan 8.290 nan 0.000 0.520 582 D N 1.632 122.285 120.400 0.422 0.000 2.456 582 D HA 0.222 4.863 4.640 0.001 0.000 0.219 582 D C 0.651 177.224 176.300 0.455 0.000 1.126 582 D CA 0.001 54.212 54.000 0.351 0.000 0.890 582 D CB 0.875 41.828 40.800 0.255 0.000 1.025 582 D HN -0.060 nan 8.370 nan 0.000 0.511 583 M N 3.042 122.825 119.600 0.304 0.000 2.595 583 M HA 0.057 4.538 4.480 0.001 0.000 0.248 583 M C 1.564 178.101 176.300 0.396 0.000 1.119 583 M CA 0.370 55.872 55.300 0.337 0.000 1.079 583 M CB -0.142 32.432 32.600 -0.043 0.000 1.472 583 M HN 0.456 nan 8.290 nan 0.000 0.501 584 L N -0.910 120.458 121.223 0.241 0.000 2.375 584 L HA -0.061 4.279 4.340 0.001 0.000 0.215 584 L C 1.727 178.742 176.870 0.240 0.000 1.108 584 L CA 0.764 55.688 54.840 0.141 0.000 0.830 584 L CB -0.155 41.827 42.059 -0.129 0.000 0.959 584 L HN 0.240 nan 8.230 nan 0.000 0.457 585 K N -0.519 120.006 120.400 0.208 0.000 2.402 585 K HA 0.093 4.414 4.320 0.001 0.000 0.204 585 K C 1.646 178.132 176.600 -0.191 0.000 1.056 585 K CA -0.048 56.207 56.287 -0.053 0.000 1.069 585 K CB 0.434 32.980 32.500 0.077 0.000 0.888 585 K HN 0.102 nan 8.250 nan 0.000 0.546 586 F N 2.054 122.181 119.950 0.295 0.000 2.184 586 F HA -0.269 4.258 4.527 0.001 0.000 0.301 586 F C 2.025 177.883 175.800 0.098 0.000 1.076 586 F CA 1.497 59.764 58.000 0.445 0.000 1.295 586 F CB -0.971 38.398 39.000 0.615 0.000 1.026 586 F HN 0.135 nan 8.300 nan 0.000 0.494 587 H N 0.163 118.685 119.070 -0.913 0.000 2.555 587 H HA 0.147 4.704 4.556 0.001 0.000 0.269 587 H C 1.142 176.241 175.328 -0.382 0.000 0.988 587 H CA 0.973 56.649 56.048 -0.621 0.000 1.178 587 H CB -0.628 28.730 29.762 -0.674 0.000 1.373 587 H HN 0.386 nan 8.280 nan 0.000 0.588 588 K N 0.151 119.970 120.400 -0.969 0.000 2.418 588 K HA 0.073 4.394 4.320 0.001 0.000 0.195 588 K C -0.495 175.683 176.600 -0.704 0.000 1.035 588 K CA 0.348 56.097 56.287 -0.897 0.000 1.003 588 K CB 0.262 32.027 32.500 -1.226 0.000 0.793 588 K HN 0.199 nan 8.250 nan 0.000 0.494 589 Y N 0.270 120.495 120.300 -0.124 0.000 2.468 589 Y HA 0.102 4.653 4.550 0.001 0.000 0.342 589 Y C 1.541 177.392 175.900 -0.082 0.000 1.021 589 Y CA -1.211 56.849 58.100 -0.066 0.000 1.079 589 Y CB 1.103 39.548 38.460 -0.025 0.000 1.226 589 Y HN 0.117 nan 8.280 nan 0.000 0.460 590 T N -0.323 114.302 114.554 0.117 0.000 2.103 590 T HA -0.411 3.939 4.350 0.001 0.000 0.093 590 T C 1.003 175.657 174.700 -0.077 0.000 1.786 590 T CA 2.216 64.328 62.100 0.020 0.000 0.758 590 T CB -1.087 67.795 68.868 0.023 0.000 0.800 590 T HN 0.621 nan 8.240 nan 0.000 0.397 591 I N 2.383 122.838 120.570 -0.191 0.000 3.928 591 I HA 0.497 4.667 4.170 0.001 0.000 0.335 591 I C 2.216 177.760 176.117 -0.956 0.000 1.325 591 I CA 0.511 61.534 61.300 -0.462 0.000 1.107 591 I CB -0.521 37.315 38.000 -0.274 0.000 1.014 591 I HN 0.720 nan 8.210 nan 0.000 0.400 592 G N 0.408 108.637 108.800 -0.951 0.000 2.479 592 G HA2 -0.349 3.611 3.960 0.001 0.000 0.220 592 G HA3 -0.349 3.611 3.960 0.001 0.000 0.220 592 G C 1.408 175.902 174.900 -0.677 0.000 1.115 592 G CA 1.344 45.552 45.100 -1.487 0.000 0.757 592 G HN 0.712 nan 8.290 nan 0.000 0.560 593 H N -0.405 118.477 119.070 -0.313 0.000 2.457 593 H HA 0.265 4.821 4.556 0.001 0.000 0.297 593 H C 2.366 177.671 175.328 -0.039 0.000 1.092 593 H CA 1.129 57.122 56.048 -0.091 0.000 1.309 593 H CB -0.505 29.215 29.762 -0.071 0.000 1.382 593 H HN 0.276 nan 8.280 nan 0.000 0.535 594 A N 0.760 123.292 122.820 -0.479 0.000 2.119 594 A HA -0.067 4.254 4.320 0.001 0.000 0.217 594 A C 1.159 178.842 177.584 0.164 0.000 1.153 594 A CA 0.862 52.803 52.037 -0.159 0.000 0.692 594 A CB -0.722 18.092 19.000 -0.310 0.000 0.799 594 A HN 0.611 nan 8.150 nan 0.000 0.458 595 W N 0.581 122.010 121.300 0.216 0.000 3.180 595 W HA 0.063 4.723 4.660 0.001 0.000 0.254 595 W C 2.010 178.646 176.519 0.194 0.000 1.318 595 W CA 0.877 58.355 57.345 0.221 0.000 1.608 595 W CB -1.721 27.805 29.460 0.109 0.000 1.124 595 W HN 0.524 nan 8.180 nan 0.000 0.694 596 T N -2.251 112.632 114.554 0.548 0.000 3.025 596 T HA -0.178 4.172 4.350 0.001 0.000 0.270 596 T C 1.686 176.522 174.700 0.227 0.000 1.126 596 T CA 1.875 64.266 62.100 0.484 0.000 1.105 596 T CB -0.645 68.450 68.868 0.379 0.000 0.884 596 T HN 0.150 nan 8.240 nan 0.000 0.522 597 T N -1.194 113.439 114.554 0.131 0.000 2.951 597 T HA 0.013 4.363 4.350 0.001 0.000 0.268 597 T C 1.395 176.017 174.700 -0.130 0.000 1.073 597 T CA 1.087 63.196 62.100 0.015 0.000 1.134 597 T CB -0.284 68.594 68.868 0.016 0.000 0.884 597 T HN 0.303 nan 8.240 nan 0.000 0.479 598 D N -0.281 119.944 120.400 -0.291 0.000 2.262 598 D HA 0.155 4.795 4.640 0.001 0.000 0.212 598 D C 1.196 177.289 176.300 -0.345 0.000 0.964 598 D CA 0.577 54.213 54.000 -0.607 0.000 0.875 598 D CB 0.046 39.952 40.800 -1.489 0.000 0.996 598 D HN 0.384 nan 8.370 nan 0.000 0.497 599 Y N -0.031 120.251 120.300 -0.031 0.000 2.503 599 Y HA 0.396 4.946 4.550 0.001 0.000 0.277 599 Y C 1.545 177.598 175.900 0.255 0.000 1.102 599 Y CA 0.448 58.603 58.100 0.091 0.000 1.261 599 Y CB 0.049 38.529 38.460 0.034 0.000 1.096 599 Y HN -0.046 nan 8.280 nan 0.000 0.546 600 G N -0.337 108.680 108.800 0.362 0.000 2.728 600 G HA2 -0.158 3.803 3.960 0.001 0.000 0.294 600 G HA3 -0.158 3.803 3.960 0.001 0.000 0.294 600 G C -1.113 174.092 174.900 0.507 0.000 1.342 600 G CA -0.886 44.353 45.100 0.232 0.000 0.866 600 G HN 0.480 nan 8.290 nan 0.000 0.534 601 C N 0.187 119.774 119.300 0.477 0.000 2.551 601 C HA 0.727 5.188 4.460 0.001 0.000 0.332 601 C C 1.834 176.874 174.990 0.083 0.000 1.139 601 C CA 0.701 59.803 59.018 0.140 0.000 1.328 601 C CB 0.665 28.380 27.740 -0.042 0.000 1.903 601 C HN 2.120 nan 8.230 nan 0.000 0.459 602 S N 2.037 117.770 115.700 0.055 0.000 2.500 602 S HA -0.134 4.336 4.470 0.001 0.000 0.239 602 S C 0.938 175.726 174.600 0.314 0.000 0.989 602 S CA 1.621 59.973 58.200 0.255 0.000 0.951 602 S CB -0.268 63.152 63.200 0.366 0.000 0.759 602 S HN 0.867 nan 8.310 nan 0.000 0.523 603 D N 1.937 122.377 120.400 0.066 0.000 2.263 603 D HA 0.004 4.645 4.640 0.001 0.000 0.208 603 D C 0.959 177.318 176.300 0.098 0.000 0.971 603 D CA 0.933 54.974 54.000 0.068 0.000 0.867 603 D CB -0.165 40.588 40.800 -0.079 0.000 0.929 603 D HN 0.564 nan 8.370 nan 0.000 0.492 604 S N -0.237 115.399 115.700 -0.107 0.000 2.508 604 S HA 0.265 4.735 4.470 0.001 0.000 0.284 604 S C 0.951 175.181 174.600 -0.617 0.000 1.192 604 S CA -0.772 57.189 58.200 -0.397 0.000 1.070 604 S CB 2.434 65.196 63.200 -0.730 0.000 1.004 604 S HN -0.115 nan 8.310 nan 0.000 0.493 605 K N 3.313 123.157 120.400 -0.927 0.000 2.057 605 K HA -0.108 4.212 4.320 0.001 0.000 0.206 605 K C 2.121 178.472 176.600 -0.415 0.000 1.050 605 K CA 1.914 57.647 56.287 -0.924 0.000 0.935 605 K CB -0.441 31.682 32.500 -0.628 0.000 0.715 605 K HN 0.794 nan 8.250 nan 0.000 0.439 606 Q N -0.119 119.422 119.800 -0.432 0.000 2.030 606 Q HA -0.251 4.090 4.340 0.001 0.000 0.204 606 Q C 1.856 177.357 176.000 -0.830 0.000 0.986 606 Q CA 2.147 57.679 55.803 -0.453 0.000 0.843 606 Q CB -0.252 28.288 28.738 -0.331 0.000 0.904 606 Q HN 0.701 nan 8.270 nan 0.000 0.420 607 H N -1.167 117.335 119.070 -0.947 0.000 2.357 607 H HA -0.135 4.422 4.556 0.001 0.000 0.301 607 H C 1.971 176.961 175.328 -0.563 0.000 1.082 607 H CA 0.818 56.178 56.048 -1.147 0.000 1.342 607 H CB -0.199 29.249 29.762 -0.524 0.000 1.389 607 H HN 0.328 nan 8.280 nan 0.000 0.511 608 F N 2.546 122.329 119.950 -0.279 0.000 2.115 608 F HA -0.249 4.278 4.527 0.001 0.000 0.300 608 F C 2.139 177.811 175.800 -0.214 0.000 1.092 608 F CA 1.432 59.319 58.000 -0.188 0.000 1.245 608 F CB -0.019 38.953 39.000 -0.047 0.000 0.995 608 F HN 0.074 nan 8.300 nan 0.000 0.481 609 E N -0.397 119.602 120.200 -0.335 0.000 2.208 609 E HA -0.186 4.165 4.350 0.001 0.000 0.193 609 E C 2.165 178.684 176.600 -0.135 0.000 0.988 609 E CA 1.108 57.348 56.400 -0.267 0.000 0.828 609 E CB -0.598 29.062 29.700 -0.068 0.000 0.763 609 E HN 0.573 nan 8.360 nan 0.000 0.478 610 W N 0.965 122.204 121.300 -0.100 0.000 2.407 610 W HA 0.012 4.673 4.660 0.001 0.000 0.305 610 W C 2.254 178.657 176.519 -0.195 0.000 1.196 610 W CA 0.198 57.523 57.345 -0.035 0.000 1.311 610 W CB -1.302 28.204 29.460 0.077 0.000 1.135 610 W HN 0.033 nan 8.180 nan 0.000 0.514 611 L N -0.143 121.001 121.223 -0.131 0.000 2.046 611 L HA -0.208 4.132 4.340 0.001 0.000 0.208 611 L C 2.413 178.854 176.870 -0.716 0.000 1.077 611 L CA 0.923 55.424 54.840 -0.564 0.000 0.747 611 L CB -1.017 40.843 42.059 -0.332 0.000 0.896 611 L HN -0.158 nan 8.230 nan 0.000 0.432 612 I N 0.055 120.177 120.570 -0.747 0.000 2.454 612 I HA -0.259 3.911 4.170 0.001 0.000 0.254 612 I C 2.264 178.167 176.117 -0.357 0.000 1.156 612 I CA 1.594 62.467 61.300 -0.712 0.000 1.433 612 I CB -0.299 37.006 38.000 -1.159 0.000 1.082 612 I HN 0.123 nan 8.210 nan 0.000 0.432 613 K N -0.844 119.413 120.400 -0.238 0.000 2.296 613 K HA -0.116 4.204 4.320 0.001 0.000 0.200 613 K C 1.324 177.942 176.600 0.030 0.000 1.048 613 K CA 1.541 57.804 56.287 -0.040 0.000 0.966 613 K CB -0.090 32.453 32.500 0.072 0.000 0.754 613 K HN 0.615 nan 8.250 nan 0.000 0.466 614 Y N -2.271 117.997 120.300 -0.053 0.000 2.432 614 Y HA 0.315 4.866 4.550 0.001 0.000 0.252 614 Y C 0.473 176.277 175.900 -0.158 0.000 1.097 614 Y CA -0.871 57.153 58.100 -0.127 0.000 1.250 614 Y CB -0.102 38.297 38.460 -0.101 0.000 1.245 614 Y HN -0.243 nan 8.280 nan 0.000 0.522 615 S N 3.881 119.372 115.700 -0.348 0.000 2.737 615 S HA 0.034 4.505 4.470 0.001 0.000 0.315 615 S C -1.456 173.101 174.600 -0.073 0.000 1.236 615 S CA -0.693 57.404 58.200 -0.171 0.000 1.093 615 S CB 0.556 63.742 63.200 -0.025 0.000 0.832 615 S HN 0.231 nan 8.310 nan 0.000 0.507 616 P HA -0.121 nan 4.420 nan 0.000 0.216 616 P C 1.535 178.725 177.300 -0.183 0.000 1.153 616 P CA 0.519 63.423 63.100 -0.328 0.000 0.858 616 P CB 0.055 31.235 31.700 -0.867 0.000 0.789 617 L N -1.291 119.785 121.223 -0.245 0.000 2.191 617 L HA -0.148 4.192 4.340 0.001 0.000 0.212 617 L C 1.263 177.936 176.870 -0.328 0.000 1.103 617 L CA 2.063 56.777 54.840 -0.209 0.000 0.769 617 L CB -1.170 40.639 42.059 -0.417 0.000 0.908 617 L HN 0.103 nan 8.230 nan 0.000 0.438 618 H N -2.010 117.086 119.070 0.043 0.000 2.594 618 H HA 0.330 4.886 4.556 0.001 0.000 0.279 618 H C 0.589 175.949 175.328 0.054 0.000 1.042 618 H CA 0.112 56.182 56.048 0.038 0.000 1.177 618 H CB 0.111 29.851 29.762 -0.035 0.000 1.524 618 H HN 0.266 nan 8.280 nan 0.000 0.537 619 N N 0.558 119.343 118.700 0.141 0.000 2.299 619 N HA 0.084 4.824 4.740 0.001 0.000 0.246 619 N C -0.694 174.932 175.510 0.193 0.000 1.254 619 N CA 0.112 53.246 53.050 0.140 0.000 0.879 619 N CB 1.883 40.424 38.487 0.091 0.000 1.214 619 N HN -0.011 nan 8.380 nan 0.000 0.510 620 V N 1.781 121.818 119.914 0.204 0.000 2.479 620 V HA 0.132 4.252 4.120 0.001 0.000 0.281 620 V C 0.445 176.617 176.094 0.130 0.000 1.031 620 V CA 0.303 62.718 62.300 0.191 0.000 1.038 620 V CB 0.616 32.486 31.823 0.078 0.000 0.981 620 V HN 0.129 nan 8.190 nan 0.000 0.478 621 K N 5.085 125.593 120.400 0.181 0.000 2.535 621 K HA 0.442 4.762 4.320 0.001 0.000 0.251 621 K C -1.129 175.568 176.600 0.162 0.000 0.942 621 K CA -0.858 55.509 56.287 0.134 0.000 0.798 621 K CB 1.809 34.399 32.500 0.150 0.000 1.267 621 K HN 0.563 nan 8.250 nan 0.000 0.434 622 L N 5.383 126.643 121.223 0.062 0.000 2.513 622 L HA 0.148 4.489 4.340 0.001 0.000 0.272 622 L C -1.975 174.977 176.870 0.137 0.000 1.187 622 L CA -1.500 53.384 54.840 0.074 0.000 0.895 622 L CB 0.532 42.603 42.059 0.019 0.000 1.147 622 L HN 0.554 nan 8.230 nan 0.000 0.483 623 P HA 0.009 nan 4.420 nan 0.000 0.265 623 P C 0.258 177.606 177.300 0.080 0.000 1.193 623 P CA -0.048 63.131 63.100 0.132 0.000 0.765 623 P CB 0.619 32.394 31.700 0.124 0.000 0.823 624 E N 2.083 122.321 120.200 0.062 0.000 2.051 624 E HA -0.118 4.233 4.350 0.001 0.000 0.192 624 E C 0.639 177.260 176.600 0.035 0.000 0.991 624 E CA 0.778 57.204 56.400 0.044 0.000 0.799 624 E CB -0.174 29.549 29.700 0.038 0.000 0.748 624 E HN 0.565 nan 8.360 nan 0.000 0.449 625 A N 1.967 124.806 122.820 0.032 0.000 2.548 625 A HA -0.090 4.230 4.320 0.001 0.000 0.247 625 A C 0.447 178.046 177.584 0.025 0.000 1.067 625 A CA -0.005 52.046 52.037 0.023 0.000 0.757 625 A CB 0.217 19.227 19.000 0.017 0.000 0.996 625 A HN 0.052 nan 8.150 nan 0.000 0.504 626 D N 1.211 121.623 120.400 0.020 0.000 2.190 626 D HA -0.159 4.482 4.640 0.001 0.000 0.200 626 D C 1.177 177.489 176.300 0.020 0.000 0.992 626 D CA 2.002 56.013 54.000 0.019 0.000 0.854 626 D CB 0.104 40.912 40.800 0.013 0.000 0.936 626 D HN 0.782 nan 8.370 nan 0.000 0.462 627 D N -0.741 119.669 120.400 0.017 0.000 2.328 627 D HA -0.002 4.639 4.640 0.001 0.000 0.221 627 D C 0.439 176.751 176.300 0.020 0.000 1.072 627 D CA -0.124 53.886 54.000 0.015 0.000 0.850 627 D CB -0.005 40.800 40.800 0.008 0.000 0.922 627 D HN 0.210 nan 8.370 nan 0.000 0.516 628 I N 1.283 121.870 120.570 0.029 0.000 2.404 628 I HA 0.252 4.422 4.170 0.001 0.000 0.293 628 I C 0.092 176.251 176.117 0.070 0.000 0.992 628 I CA -0.798 60.524 61.300 0.036 0.000 1.149 628 I CB 1.744 39.760 38.000 0.025 0.000 1.315 628 I HN -0.046 nan 8.210 nan 0.000 0.446 629 Q N 4.320 124.173 119.800 0.089 0.000 2.633 629 Q HA 0.496 4.837 4.340 0.001 0.000 0.292 629 Q C -1.445 174.683 176.000 0.214 0.000 1.089 629 Q CA -0.951 54.944 55.803 0.152 0.000 0.811 629 Q CB 1.414 30.221 28.738 0.115 0.000 1.472 629 Q HN 0.350 nan 8.270 nan 0.000 0.464 630 Y N 1.360 121.685 120.300 0.042 0.000 2.379 630 Y HA 0.232 4.782 4.550 0.001 0.000 0.337 630 Y C -1.909 174.037 175.900 0.077 0.000 1.238 630 Y CA -1.719 56.416 58.100 0.058 0.000 1.405 630 Y CB 0.166 38.648 38.460 0.035 0.000 1.310 630 Y HN 0.534 nan 8.280 nan 0.000 0.569 631 P HA -0.023 nan 4.420 nan 0.000 0.270 631 P C -0.626 176.793 177.300 0.198 0.000 1.227 631 P CA -0.106 63.092 63.100 0.163 0.000 0.788 631 P CB 0.410 32.213 31.700 0.172 0.000 0.926 632 S N 0.917 116.723 115.700 0.176 0.000 2.537 632 S HA 0.181 4.652 4.470 0.001 0.000 0.286 632 S C 0.425 175.248 174.600 0.372 0.000 1.299 632 S CA 0.240 58.577 58.200 0.230 0.000 1.067 632 S CB -0.601 62.630 63.200 0.053 0.000 0.864 632 S HN 0.302 nan 8.310 nan 0.000 0.494 633 M N 3.257 123.084 119.600 0.378 0.000 2.395 633 M HA 0.520 5.001 4.480 0.001 0.000 0.307 633 M C -1.297 174.960 176.300 -0.071 0.000 1.091 633 M CA -0.747 54.668 55.300 0.191 0.000 0.919 633 M CB 1.901 34.555 32.600 0.090 0.000 1.662 633 M HN 0.438 nan 8.290 nan 0.000 0.440 634 L N 4.574 125.602 121.223 -0.325 0.000 2.406 634 L HA 0.641 4.981 4.340 0.001 0.000 0.272 634 L C -1.783 174.931 176.870 -0.260 0.000 0.980 634 L CA -0.281 54.203 54.840 -0.594 0.000 0.831 634 L CB 1.503 42.855 42.059 -1.177 0.000 1.253 634 L HN 0.665 nan 8.230 nan 0.000 0.406 635 L N 6.008 127.134 121.223 -0.162 0.000 2.295 635 L HA 0.564 4.904 4.340 0.001 0.000 0.285 635 L C -0.818 176.023 176.870 -0.048 0.000 1.035 635 L CA -0.659 54.150 54.840 -0.052 0.000 0.806 635 L CB 1.462 43.535 42.059 0.023 0.000 1.214 635 L HN 0.514 nan 8.230 nan 0.000 0.426 636 L N 2.778 123.989 121.223 -0.019 0.000 2.356 636 L HA 0.715 5.055 4.340 0.001 0.000 0.277 636 L C -0.077 176.807 176.870 0.024 0.000 0.996 636 L CA -0.124 54.723 54.840 0.012 0.000 0.822 636 L CB 2.054 44.121 42.059 0.013 0.000 1.256 636 L HN 0.627 nan 8.230 nan 0.000 0.413 637 T N 1.526 116.093 114.554 0.022 0.000 2.681 637 T HA 0.898 5.248 4.350 0.001 0.000 0.296 637 T C -1.835 172.876 174.700 0.018 0.000 1.157 637 T CA -0.154 61.968 62.100 0.036 0.000 1.025 637 T CB 2.067 70.969 68.868 0.058 0.000 1.441 637 T HN 0.752 nan 8.240 nan 0.000 0.504 638 A N 0.750 123.599 122.820 0.049 0.000 2.587 638 A HA 0.627 4.947 4.320 0.001 0.000 0.293 638 A C -0.034 177.598 177.584 0.080 0.000 1.087 638 A CA -0.129 51.939 52.037 0.052 0.000 0.692 638 A CB 1.388 20.437 19.000 0.082 0.000 1.291 638 A HN 0.864 nan 8.150 nan 0.000 0.407 639 D N -0.644 119.810 120.400 0.091 0.000 2.349 639 D HA -0.013 4.628 4.640 0.001 0.000 0.224 639 D C 0.419 176.721 176.300 0.004 0.000 1.029 639 D CA 1.275 55.301 54.000 0.044 0.000 0.879 639 D CB -0.243 40.569 40.800 0.020 0.000 0.906 639 D HN 0.582 nan 8.370 nan 0.000 0.528 640 H N -0.482 118.624 119.070 0.060 0.000 2.486 640 H HA 0.202 4.758 4.556 0.001 0.000 0.284 640 H C -0.542 174.842 175.328 0.094 0.000 1.103 640 H CA -0.602 55.493 56.048 0.079 0.000 1.089 640 H CB 0.187 29.998 29.762 0.082 0.000 1.603 640 H HN -0.027 nan 8.280 nan 0.000 0.557 641 D N 1.615 122.121 120.400 0.178 0.000 2.455 641 D HA -0.047 4.593 4.640 0.001 0.000 0.234 641 D C 0.337 176.725 176.300 0.146 0.000 1.224 641 D CA -0.079 54.033 54.000 0.186 0.000 0.999 641 D CB 0.169 41.098 40.800 0.215 0.000 1.072 641 D HN 0.421 nan 8.370 nan 0.000 0.514 642 D N 1.862 122.338 120.400 0.126 0.000 2.340 642 D HA -0.066 4.574 4.640 0.001 0.000 0.220 642 D C 1.592 177.939 176.300 0.078 0.000 1.039 642 D CA -0.036 54.015 54.000 0.085 0.000 0.866 642 D CB 0.185 41.017 40.800 0.053 0.000 0.913 642 D HN 0.190 nan 8.370 nan 0.000 0.523 643 R N 0.553 121.087 120.500 0.056 0.000 2.052 643 R HA 0.139 4.480 4.340 0.001 0.000 0.226 643 R C 0.084 176.470 176.300 0.144 0.000 1.145 643 R CA 0.868 56.969 56.100 0.001 0.000 0.952 643 R CB -0.194 29.861 30.300 -0.408 0.000 0.847 643 R HN 0.034 nan 8.270 nan 0.000 0.431 644 V N 3.428 123.375 119.914 0.056 0.000 2.275 644 V HA 0.250 4.370 4.120 0.001 0.000 0.272 644 V C -0.457 175.816 176.094 0.299 0.000 1.028 644 V CA -0.991 61.472 62.300 0.271 0.000 0.810 644 V CB 1.039 32.931 31.823 0.114 0.000 1.043 644 V HN 0.246 nan 8.190 nan 0.000 0.453 645 V N 4.624 124.739 119.914 0.335 0.000 2.694 645 V HA 0.157 4.277 4.120 0.001 0.000 0.306 645 V C -0.911 175.283 176.094 0.167 0.000 1.054 645 V CA -0.668 61.731 62.300 0.164 0.000 1.161 645 V CB 0.282 32.096 31.823 -0.015 0.000 0.916 645 V HN 0.625 nan 8.190 nan 0.000 0.490 646 P HA -0.097 nan 4.420 nan 0.000 0.226 646 P C 1.596 178.899 177.300 0.004 0.000 1.153 646 P CA 1.073 64.213 63.100 0.067 0.000 0.777 646 P CB -0.076 31.648 31.700 0.040 0.000 0.794 647 L N -2.611 118.544 121.223 -0.113 0.000 2.197 647 L HA -0.202 4.138 4.340 0.001 0.000 0.215 647 L C 2.424 179.197 176.870 -0.161 0.000 1.095 647 L CA 1.964 56.675 54.840 -0.215 0.000 0.764 647 L CB -2.307 39.525 42.059 -0.379 0.000 0.897 647 L HN -0.014 nan 8.230 nan 0.000 0.436 648 H N 0.268 119.311 119.070 -0.045 0.000 2.289 648 H HA -0.130 4.426 4.556 0.001 0.000 0.296 648 H C 2.443 177.792 175.328 0.035 0.000 1.091 648 H CA 2.021 58.075 56.048 0.010 0.000 1.274 648 H CB -0.212 29.583 29.762 0.054 0.000 1.364 648 H HN 0.503 nan 8.280 nan 0.000 0.490 649 S N 0.399 116.209 115.700 0.185 0.000 2.387 649 S HA -0.035 4.436 4.470 0.001 0.000 0.226 649 S C 2.503 177.178 174.600 0.124 0.000 1.026 649 S CA 0.372 58.678 58.200 0.177 0.000 0.972 649 S CB -0.088 63.190 63.200 0.129 0.000 0.814 649 S HN 0.219 nan 8.310 nan 0.000 0.477 650 L N 1.153 122.401 121.223 0.041 0.000 2.017 650 L HA -0.123 4.217 4.340 0.001 0.000 0.208 650 L C 2.457 179.210 176.870 -0.195 0.000 1.073 650 L CA 1.309 56.132 54.840 -0.028 0.000 0.745 650 L CB -0.556 41.385 42.059 -0.197 0.000 0.894 650 L HN 0.220 nan 8.230 nan 0.000 0.432 651 K N -0.648 119.634 120.400 -0.196 0.000 2.097 651 K HA -0.165 4.155 4.320 0.001 0.000 0.205 651 K C 2.135 178.708 176.600 -0.045 0.000 1.050 651 K CA 1.184 57.350 56.287 -0.201 0.000 0.938 651 K CB -0.208 32.215 32.500 -0.129 0.000 0.718 651 K HN 0.082 nan 8.250 nan 0.000 0.442 652 F N 1.913 121.790 119.950 -0.122 0.000 2.102 652 F HA -0.175 4.352 4.527 0.001 0.000 0.298 652 F C 2.077 177.816 175.800 -0.103 0.000 1.105 652 F CA 0.797 58.744 58.000 -0.087 0.000 1.239 652 F CB -0.497 38.478 39.000 -0.041 0.000 0.991 652 F HN -0.143 nan 8.300 nan 0.000 0.474 653 I N 0.653 121.130 120.570 -0.155 0.000 2.226 653 I HA -0.179 3.991 4.170 0.001 0.000 0.245 653 I C 2.456 178.410 176.117 -0.272 0.000 1.100 653 I CA 1.595 62.731 61.300 -0.273 0.000 1.374 653 I CB -1.037 36.888 38.000 -0.125 0.000 1.057 653 I HN 0.153 nan 8.210 nan 0.000 0.413 654 A N -1.031 121.642 122.820 -0.246 0.000 1.948 654 A HA -0.247 4.074 4.320 0.001 0.000 0.220 654 A C 2.355 179.660 177.584 -0.465 0.000 1.177 654 A CA 2.589 54.323 52.037 -0.505 0.000 0.636 654 A CB -1.296 16.944 19.000 -1.267 0.000 0.815 654 A HN 0.475 nan 8.150 nan 0.000 0.449 655 T N -0.031 114.346 114.554 -0.293 0.000 2.851 655 T HA 0.050 4.400 4.350 0.001 0.000 0.262 655 T C 1.822 176.446 174.700 -0.127 0.000 1.043 655 T CA 1.119 63.208 62.100 -0.018 0.000 1.140 655 T CB -0.298 68.612 68.868 0.070 0.000 0.872 655 T HN 0.349 nan 8.240 nan 0.000 0.446 656 L N 0.890 121.899 121.223 -0.356 0.000 2.012 656 L HA -0.176 4.164 4.340 0.001 0.000 0.210 656 L C 2.888 179.523 176.870 -0.391 0.000 1.073 656 L CA 1.543 56.107 54.840 -0.460 0.000 0.748 656 L CB -0.540 41.146 42.059 -0.622 0.000 0.891 656 L HN 0.298 nan 8.230 nan 0.000 0.431 657 Q N -1.564 117.989 119.800 -0.411 0.000 2.167 657 Q HA -0.235 4.105 4.340 0.001 0.000 0.202 657 Q C 2.020 177.889 176.000 -0.217 0.000 0.970 657 Q CA 1.688 57.181 55.803 -0.518 0.000 0.855 657 Q CB -0.142 28.206 28.738 -0.650 0.000 0.911 657 Q HN 0.482 nan 8.270 nan 0.000 0.438 658 Y N 0.508 120.699 120.300 -0.182 0.000 2.206 658 Y HA -0.144 4.406 4.550 0.001 0.000 0.292 658 Y C 1.848 177.715 175.900 -0.056 0.000 1.123 658 Y CA 1.081 59.156 58.100 -0.042 0.000 1.142 658 Y CB 0.161 38.679 38.460 0.097 0.000 1.006 658 Y HN -0.006 nan 8.280 nan 0.000 0.518 659 I N -1.148 119.409 120.570 -0.023 0.000 2.400 659 I HA -0.133 4.038 4.170 0.001 0.000 0.248 659 I C 1.983 177.974 176.117 -0.210 0.000 1.109 659 I CA 0.988 62.221 61.300 -0.112 0.000 1.425 659 I CB -0.834 37.161 38.000 -0.008 0.000 1.094 659 I HN 0.182 nan 8.210 nan 0.000 0.425 660 V N 0.327 120.078 119.914 -0.272 0.000 2.690 660 V HA 0.161 4.282 4.120 0.001 0.000 0.240 660 V C 2.551 178.527 176.094 -0.198 0.000 1.078 660 V CA 1.257 63.371 62.300 -0.310 0.000 1.102 660 V CB -0.763 30.692 31.823 -0.612 0.000 0.800 660 V HN 0.375 nan 8.190 nan 0.000 0.479 661 G N 0.275 108.945 108.800 -0.215 0.000 2.469 661 G HA2 -0.273 3.687 3.960 0.001 0.000 0.220 661 G HA3 -0.273 3.687 3.960 0.001 0.000 0.220 661 G C 1.680 176.615 174.900 0.058 0.000 1.136 661 G CA 0.827 45.879 45.100 -0.079 0.000 0.759 661 G HN 0.394 nan 8.290 nan 0.000 0.562 662 R N 0.645 121.118 120.500 -0.044 0.000 2.189 662 R HA 0.028 4.369 4.340 0.001 0.000 0.223 662 R C 1.501 177.772 176.300 -0.048 0.000 1.092 662 R CA 0.650 56.725 56.100 -0.042 0.000 0.989 662 R CB -0.132 30.066 30.300 -0.171 0.000 0.876 662 R HN 0.479 nan 8.270 nan 0.000 0.457 663 S N 0.005 115.669 115.700 -0.060 0.000 2.580 663 S HA 0.138 4.609 4.470 0.001 0.000 0.274 663 S C 0.979 175.569 174.600 -0.018 0.000 1.329 663 S CA -0.805 57.367 58.200 -0.046 0.000 1.036 663 S CB 1.918 65.089 63.200 -0.048 0.000 0.919 663 S HN -0.009 nan 8.310 nan 0.000 0.515 664 R N 2.308 122.798 120.500 -0.017 0.000 2.105 664 R HA -0.102 4.238 4.340 0.001 0.000 0.239 664 R C 2.204 178.502 176.300 -0.002 0.000 1.135 664 R CA 2.218 58.312 56.100 -0.010 0.000 0.967 664 R CB -0.944 29.350 30.300 -0.010 0.000 0.861 664 R HN 0.957 nan 8.270 nan 0.000 0.442 665 K N -0.184 120.218 120.400 0.003 0.000 2.362 665 K HA -0.107 4.214 4.320 0.001 0.000 0.200 665 K C 0.535 177.150 176.600 0.026 0.000 1.046 665 K CA 0.610 56.905 56.287 0.015 0.000 0.952 665 K CB -0.039 32.474 32.500 0.021 0.000 0.753 665 K HN -0.111 nan 8.250 nan 0.000 0.466 666 Q N 1.823 121.638 119.800 0.025 0.000 2.323 666 Q HA 0.108 4.449 4.340 0.001 0.000 0.257 666 Q C -0.465 175.560 176.000 0.041 0.000 1.022 666 Q CA 0.037 55.867 55.803 0.045 0.000 0.919 666 Q CB 0.785 29.544 28.738 0.036 0.000 1.220 666 Q HN 0.278 nan 8.270 nan 0.000 0.427 667 N N 2.784 121.510 118.700 0.042 0.000 2.227 667 N HA 0.071 4.811 4.740 0.001 0.000 0.196 667 N C -0.687 174.848 175.510 0.042 0.000 1.142 667 N CA -0.091 52.972 53.050 0.022 0.000 0.887 667 N CB 0.406 38.900 38.487 0.011 0.000 1.022 667 N HN 0.415 nan 8.380 nan 0.000 0.500 668 N N 3.281 122.026 118.700 0.074 0.000 2.497 668 N HA 0.173 4.913 4.740 0.001 0.000 0.268 668 N C -2.334 173.254 175.510 0.129 0.000 1.171 668 N CA -0.828 52.277 53.050 0.092 0.000 0.948 668 N CB 0.679 39.232 38.487 0.110 0.000 1.069 668 N HN 0.146 nan 8.380 nan 0.000 0.460 669 P HA 0.195 nan 4.420 nan 0.000 0.274 669 P C -0.650 176.794 177.300 0.241 0.000 1.231 669 P CA -0.121 63.097 63.100 0.197 0.000 0.790 669 P CB 0.898 32.566 31.700 -0.054 0.000 0.951 670 L N 2.651 124.020 121.223 0.243 0.000 2.471 670 L HA 0.472 4.812 4.340 0.001 0.000 0.263 670 L C -0.195 176.644 176.870 -0.052 0.000 0.985 670 L CA -0.213 54.640 54.840 0.021 0.000 0.868 670 L CB 0.944 42.907 42.059 -0.160 0.000 1.203 670 L HN 0.215 nan 8.230 nan 0.000 0.429 671 L N 3.564 124.722 121.223 -0.109 0.000 2.371 671 L HA 0.661 5.002 4.340 0.001 0.000 0.262 671 L C -0.922 175.836 176.870 -0.185 0.000 1.006 671 L CA -0.742 54.001 54.840 -0.162 0.000 0.818 671 L CB 3.318 45.252 42.059 -0.210 0.000 1.354 671 L HN 0.464 nan 8.230 nan 0.000 0.415 672 I N 0.449 120.929 120.570 -0.150 0.000 2.608 672 I HA 0.413 4.584 4.170 0.001 0.000 0.295 672 I C -1.169 174.929 176.117 -0.033 0.000 1.049 672 I CA -0.285 60.958 61.300 -0.097 0.000 1.063 672 I CB 2.148 40.106 38.000 -0.071 0.000 1.248 672 I HN 0.615 nan 8.210 nan 0.000 0.424 673 H N 6.770 125.776 119.070 -0.106 0.000 2.547 673 H HA 0.518 5.075 4.556 0.001 0.000 0.342 673 H C -1.803 173.507 175.328 -0.031 0.000 1.048 673 H CA -0.668 55.338 56.048 -0.071 0.000 1.204 673 H CB 1.997 31.718 29.762 -0.067 0.000 1.493 673 H HN 0.382 nan 8.280 nan 0.000 0.511 674 V N 5.680 125.266 119.914 -0.545 0.000 2.334 674 V HA 0.049 4.170 4.120 0.001 0.000 0.281 674 V C 0.229 176.025 176.094 -0.497 0.000 1.016 674 V CA -0.693 61.392 62.300 -0.359 0.000 0.832 674 V CB 1.193 32.921 31.823 -0.159 0.000 0.999 674 V HN 0.742 nan 8.190 nan 0.000 0.439 675 D N 3.386 123.611 120.400 -0.292 0.000 2.329 675 D HA 0.483 5.124 4.640 0.001 0.000 0.246 675 D C 0.393 176.682 176.300 -0.019 0.000 1.111 675 D CA 0.055 53.977 54.000 -0.129 0.000 0.941 675 D CB 1.687 42.509 40.800 0.036 0.000 1.169 675 D HN 0.666 nan 8.370 nan 0.000 0.441 676 T N -1.285 113.287 114.554 0.030 0.000 2.944 676 T HA 0.391 4.741 4.350 0.001 0.000 0.284 676 T C 0.069 174.814 174.700 0.075 0.000 1.010 676 T CA -0.889 61.257 62.100 0.076 0.000 1.025 676 T CB 1.006 69.913 68.868 0.066 0.000 1.079 676 T HN 0.500 nan 8.240 nan 0.000 0.516 677 K N -0.518 119.931 120.400 0.081 0.000 3.035 677 K HA -0.088 4.233 4.320 0.001 0.000 0.262 677 K C 0.016 176.581 176.600 -0.058 0.000 1.024 677 K CA 0.627 56.870 56.287 -0.074 0.000 0.748 677 K CB -2.182 30.287 32.500 -0.052 0.000 1.247 677 K HN 1.039 nan 8.250 nan 0.000 0.482 678 A N -0.996 121.841 122.820 0.028 0.000 2.602 678 A HA 0.869 5.189 4.320 0.001 0.000 0.290 678 A C 0.118 177.776 177.584 0.123 0.000 1.114 678 A CA -0.126 51.941 52.037 0.051 0.000 0.683 678 A CB 1.857 20.892 19.000 0.057 0.000 1.281 678 A HN 0.271 nan 8.150 nan 0.000 0.416 679 G N -1.402 107.470 108.800 0.121 0.000 3.137 679 G HA2 0.408 4.368 3.960 0.001 0.000 0.196 679 G HA3 0.408 4.368 3.960 0.001 0.000 0.196 679 G C 0.395 175.401 174.900 0.176 0.000 1.135 679 G CA 0.572 45.775 45.100 0.172 0.000 0.803 679 G HN 0.938 nan 8.290 nan 0.000 0.619 680 H N -0.538 118.581 119.070 0.082 0.000 2.457 680 H HA 0.202 4.758 4.556 0.001 0.000 0.294 680 H C 1.859 177.218 175.328 0.052 0.000 1.064 680 H CA 2.737 58.825 56.048 0.068 0.000 1.330 680 H CB 0.298 30.103 29.762 0.072 0.000 1.395 680 H HN 0.851 nan 8.280 nan 0.000 0.541 681 G N -1.854 106.975 108.800 0.048 0.000 3.611 681 G HA2 -0.052 3.909 3.960 0.001 0.000 0.217 681 G HA3 -0.052 3.909 3.960 0.001 0.000 0.217 681 G C 0.260 175.178 174.900 0.031 0.000 1.023 681 G CA -0.116 44.980 45.100 -0.006 0.000 0.887 681 G HN 0.581 nan 8.290 nan 0.000 0.420 682 A N 0.718 123.574 122.820 0.060 0.000 2.511 682 A HA 0.561 4.881 4.320 0.001 0.000 0.242 682 A C 1.933 179.547 177.584 0.050 0.000 1.069 682 A CA 1.716 53.785 52.037 0.054 0.000 0.763 682 A CB -0.278 18.764 19.000 0.069 0.000 1.001 682 A HN 2.372 nan 8.150 nan 0.000 0.498 683 G N 1.177 109.999 108.800 0.038 0.000 2.189 683 G HA2 -0.306 3.655 3.960 0.001 0.000 0.267 683 G HA3 -0.306 3.655 3.960 0.001 0.000 0.267 683 G C 0.421 175.343 174.900 0.036 0.000 0.975 683 G CA 0.811 45.933 45.100 0.036 0.000 0.644 683 G HN 1.087 nan 8.290 nan 0.000 0.537 684 K N 1.815 122.237 120.400 0.038 0.000 2.491 684 K HA 0.240 4.560 4.320 0.001 0.000 0.279 684 K C -1.558 175.066 176.600 0.041 0.000 1.026 684 K CA -0.757 55.552 56.287 0.037 0.000 1.070 684 K CB 0.514 33.036 32.500 0.036 0.000 0.887 684 K HN 0.163 nan 8.250 nan 0.000 0.481 685 P HA -0.026 nan 4.420 nan 0.000 0.268 685 P C 0.191 177.527 177.300 0.059 0.000 1.205 685 P CA -0.115 63.010 63.100 0.041 0.000 0.771 685 P CB 0.807 32.526 31.700 0.031 0.000 0.858 686 T N 2.226 116.826 114.554 0.076 0.000 2.680 686 T HA -0.260 4.090 4.350 0.001 0.000 0.268 686 T C 1.815 176.575 174.700 0.100 0.000 1.033 686 T CA 2.418 64.596 62.100 0.130 0.000 1.152 686 T CB -0.621 68.323 68.868 0.126 0.000 0.859 686 T HN 0.565 nan 8.240 nan 0.000 0.452 687 A N 1.206 124.066 122.820 0.067 0.000 1.933 687 A HA -0.098 4.222 4.320 0.001 0.000 0.218 687 A C 2.268 179.883 177.584 0.051 0.000 1.175 687 A CA 1.529 53.599 52.037 0.056 0.000 0.628 687 A CB -0.357 18.668 19.000 0.041 0.000 0.814 687 A HN 0.473 nan 8.150 nan 0.000 0.444 688 K N -0.579 119.850 120.400 0.049 0.000 2.167 688 K HA 0.036 4.356 4.320 0.001 0.000 0.203 688 K C 1.806 178.431 176.600 0.042 0.000 1.052 688 K CA 0.957 57.273 56.287 0.048 0.000 0.956 688 K CB -0.159 32.370 32.500 0.048 0.000 0.735 688 K HN 0.293 nan 8.250 nan 0.000 0.451 689 V N 1.855 121.791 119.914 0.037 0.000 2.295 689 V HA -0.255 3.865 4.120 0.001 0.000 0.246 689 V C 2.122 178.212 176.094 -0.007 0.000 1.049 689 V CA 1.645 63.950 62.300 0.007 0.000 1.024 689 V CB -0.328 31.491 31.823 -0.007 0.000 0.648 689 V HN 0.278 nan 8.190 nan 0.000 0.447 690 I N -0.405 120.168 120.570 0.005 0.000 2.226 690 I HA -0.187 3.983 4.170 0.001 0.000 0.245 690 I C 2.650 178.804 176.117 0.062 0.000 1.100 690 I CA 1.254 62.569 61.300 0.025 0.000 1.374 690 I CB -0.404 37.627 38.000 0.052 0.000 1.057 690 I HN 0.321 nan 8.210 nan 0.000 0.413 691 E N 0.592 120.820 120.200 0.048 0.000 2.077 691 E HA -0.271 4.080 4.350 0.001 0.000 0.193 691 E C 1.950 178.565 176.600 0.025 0.000 0.989 691 E CA 1.240 57.663 56.400 0.037 0.000 0.800 691 E CB -0.270 29.450 29.700 0.033 0.000 0.746 691 E HN 0.540 nan 8.360 nan 0.000 0.452 692 E N 0.647 120.866 120.200 0.030 0.000 2.038 692 E HA -0.168 4.182 4.350 0.001 0.000 0.195 692 E C 2.200 178.810 176.600 0.017 0.000 1.000 692 E CA 2.068 58.481 56.400 0.021 0.000 0.803 692 E CB 0.091 29.808 29.700 0.030 0.000 0.750 692 E HN 0.162 nan 8.360 nan 0.000 0.448 693 V N -1.419 118.532 119.914 0.062 0.000 2.427 693 V HA -0.148 3.973 4.120 0.001 0.000 0.248 693 V C 2.238 178.357 176.094 0.042 0.000 1.051 693 V CA 1.732 64.114 62.300 0.136 0.000 1.048 693 V CB -0.592 31.384 31.823 0.255 0.000 0.666 693 V HN 0.121 nan 8.190 nan 0.000 0.456 694 S N 0.928 116.669 115.700 0.069 0.000 2.365 694 S HA -0.252 4.218 4.470 0.001 0.000 0.225 694 S C 1.741 176.297 174.600 -0.073 0.000 1.039 694 S CA 2.084 60.285 58.200 0.001 0.000 1.033 694 S CB -0.659 62.616 63.200 0.124 0.000 0.887 694 S HN 0.711 nan 8.310 nan 0.000 0.447 695 D N 1.144 121.516 120.400 -0.047 0.000 2.104 695 D HA -0.082 4.558 4.640 0.001 0.000 0.194 695 D C 1.940 178.214 176.300 -0.043 0.000 0.994 695 D CA 1.144 55.113 54.000 -0.052 0.000 0.830 695 D CB -0.327 40.414 40.800 -0.099 0.000 0.959 695 D HN 0.387 nan 8.370 nan 0.000 0.452 696 M N -0.653 118.873 119.600 -0.123 0.000 2.067 696 M HA -0.131 4.350 4.480 0.001 0.000 0.260 696 M C 2.025 178.145 176.300 -0.300 0.000 1.069 696 M CA 1.340 56.494 55.300 -0.243 0.000 1.117 696 M CB -0.331 32.008 32.600 -0.436 0.000 1.334 696 M HN -0.048 nan 8.290 nan 0.000 0.407 697 F N -0.054 119.775 119.950 -0.201 0.000 2.456 697 F HA 0.043 4.570 4.527 0.001 0.000 0.298 697 F C 2.510 178.287 175.800 -0.039 0.000 1.104 697 F CA 0.883 58.766 58.000 -0.196 0.000 1.435 697 F CB -0.777 37.888 39.000 -0.559 0.000 1.078 697 F HN 0.094 nan 8.300 nan 0.000 0.546 698 A N -0.174 122.680 122.820 0.058 0.000 1.898 698 A HA -0.175 4.145 4.320 0.001 0.000 0.216 698 A C 2.056 179.734 177.584 0.157 0.000 1.181 698 A CA 1.074 53.167 52.037 0.094 0.000 0.620 698 A CB -1.239 17.785 19.000 0.040 0.000 0.819 698 A HN 0.339 nan 8.150 nan 0.000 0.442 699 F N 0.866 120.849 119.950 0.054 0.000 2.069 699 F HA -0.212 4.316 4.527 0.001 0.000 0.298 699 F C 2.020 177.913 175.800 0.154 0.000 1.113 699 F CA 1.787 59.877 58.000 0.150 0.000 1.214 699 F CB -0.334 38.725 39.000 0.098 0.000 0.978 699 F HN 0.192 nan 8.300 nan 0.000 0.474 700 I N -0.017 120.670 120.570 0.195 0.000 2.127 700 I HA -0.373 3.797 4.170 0.001 0.000 0.241 700 I C 2.700 178.907 176.117 0.150 0.000 1.075 700 I CA 1.427 62.817 61.300 0.149 0.000 1.334 700 I CB -1.063 37.071 38.000 0.224 0.000 1.040 700 I HN 0.230 nan 8.210 nan 0.000 0.405 701 A N 0.660 123.607 122.820 0.212 0.000 1.883 701 A HA -0.285 4.035 4.320 0.001 0.000 0.217 701 A C 2.374 180.018 177.584 0.100 0.000 1.186 701 A CA 2.231 54.392 52.037 0.206 0.000 0.624 701 A CB -0.681 18.468 19.000 0.249 0.000 0.822 701 A HN 0.352 nan 8.150 nan 0.000 0.444 702 R N -0.820 119.698 120.500 0.031 0.000 2.073 702 R HA -0.127 4.213 4.340 0.001 0.000 0.234 702 R C 2.150 178.438 176.300 -0.020 0.000 1.134 702 R CA 2.126 58.201 56.100 -0.041 0.000 0.952 702 R CB -0.922 29.280 30.300 -0.163 0.000 0.850 702 R HN 0.543 nan 8.270 nan 0.000 0.433 703 C N 0.056 119.306 119.300 -0.082 0.000 2.440 703 C HA 0.030 4.490 4.460 0.001 0.000 0.278 703 C C 2.118 177.103 174.990 -0.007 0.000 1.295 703 C CA 0.466 59.424 59.018 -0.100 0.000 1.738 703 C CB -0.687 26.852 27.740 -0.335 0.000 1.987 703 C HN 0.505 nan 8.230 nan 0.000 0.492 704 L N 0.446 121.690 121.223 0.035 0.000 2.592 704 L HA 0.153 4.493 4.340 0.001 0.000 0.227 704 L C 0.598 177.514 176.870 0.078 0.000 1.127 704 L CA 0.222 55.108 54.840 0.077 0.000 0.884 704 L CB -0.727 41.412 42.059 0.132 0.000 1.065 704 L HN 0.330 nan 8.230 nan 0.000 0.457 705 N N 1.684 120.424 118.700 0.067 0.000 2.727 705 N HA -0.197 4.543 4.740 0.001 0.000 0.251 705 N C -0.424 175.141 175.510 0.091 0.000 1.040 705 N CA 0.473 53.562 53.050 0.065 0.000 0.712 705 N CB -1.197 37.319 38.487 0.048 0.000 0.912 705 N HN 0.331 nan 8.380 nan 0.000 0.545 706 I N 0.540 121.187 120.570 0.129 0.000 2.371 706 I HA 0.107 4.277 4.170 0.001 0.000 0.290 706 I C 0.565 176.784 176.117 0.170 0.000 1.028 706 I CA -0.588 60.804 61.300 0.154 0.000 1.345 706 I CB 0.611 38.736 38.000 0.209 0.000 1.407 706 I HN 0.050 nan 8.210 nan 0.000 0.501 707 D N 6.229 126.716 120.400 0.145 0.000 2.389 707 D HA -0.011 4.629 4.640 0.001 0.000 0.247 707 D C -0.354 176.092 176.300 0.243 0.000 1.128 707 D CA -0.093 54.010 54.000 0.172 0.000 0.884 707 D CB 0.962 41.833 40.800 0.118 0.000 1.194 707 D HN 0.403 nan 8.370 nan 0.000 0.441 708 W N 3.723 125.069 121.300 0.076 0.000 2.210 708 W HA 0.185 4.846 4.660 0.001 0.000 0.330 708 W C -0.682 175.890 176.519 0.088 0.000 1.334 708 W CA -0.328 57.072 57.345 0.091 0.000 1.227 708 W CB 0.443 29.947 29.460 0.074 0.000 1.178 708 W HN 0.279 nan 8.180 nan 0.000 0.560 709 I N 8.977 129.350 120.570 -0.328 0.000 2.371 709 I HA 0.156 4.326 4.170 0.001 0.000 0.282 709 I C -1.785 174.136 176.117 -0.325 0.000 1.031 709 I CA -2.167 58.993 61.300 -0.234 0.000 1.180 709 I CB 0.898 38.776 38.000 -0.203 0.000 1.336 709 I HN 0.074 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 63.145 63.100 0.075 0.000 0.800 710 P CB 0.000 31.802 31.700 0.170 0.000 0.726