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 3gxo_1_C DATA FIRST_RESID 11 DATA SEQUENCE GTAARAAAEE TVNDILQGAW KARAIHVAVE LGVPELLQEG PRTATALAEA DATA SEQUENCE TGAHEQTLRR LLRLLATVGV FDDLGHDDLF AQNALSAVLL PDPASPVATD DATA SEQUENCE ARFQAAPWHW RAWEQLTHSV RTGEASFDVA NGTSFWQLTH EDPKARELFN DATA SEQUENCE RAXGSVSLTE AGQVAAAYDF SGAATAVDIG GGRGSLXAAV LDAFPGLRGT DATA SEQUENCE LLERPPVAEE ARELLTGRGL ADRCEILPGD FFETIPDGAD VYLIKHVLHD DATA SEQUENCE WDDDDVVRIL RRIATAXKPD SRLLVIDNLI DERPAASTLF VDLLLLVLVG DATA SEQUENCE GAERSESEFA ALLEKSGLRV ERSLPCGAGP VRIVEIRRA 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 11 G C 0.000 174.900 174.900 0.001 0.000 0.946 11 G CA 0.000 45.100 45.100 0.000 0.000 0.502 12 T N -0.368 114.186 114.554 0.001 0.000 3.160 12 T HA 0.546 4.896 4.350 -0.000 0.000 0.257 12 T C 1.473 176.174 174.700 0.001 0.000 1.147 12 T CA 1.768 63.868 62.100 0.001 0.000 1.064 12 T CB 0.499 69.368 68.868 0.001 0.000 0.949 12 T HN 1.295 nan 8.240 nan 0.000 0.526 13 A N -0.196 122.625 122.820 0.001 0.000 2.167 13 A HA 0.822 5.142 4.320 -0.000 0.000 0.184 13 A C 2.145 179.729 177.584 0.000 0.000 1.675 13 A CA 0.460 52.498 52.037 0.001 0.000 1.215 13 A CB -0.644 18.357 19.000 0.001 0.000 1.427 13 A HN 0.522 nan 8.150 nan 0.000 0.457 14 A N 0.468 123.288 122.820 -0.000 0.000 2.067 14 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 14 A C 1.999 179.582 177.584 -0.001 0.000 1.158 14 A CA 1.923 53.960 52.037 -0.001 0.000 0.661 14 A CB -0.395 18.605 19.000 -0.001 0.000 0.801 14 A HN 0.381 nan 8.150 nan 0.000 0.452 15 R N 0.358 120.857 120.500 -0.001 0.000 2.075 15 R HA 0.059 4.399 4.340 -0.000 0.000 0.232 15 R C 1.996 178.295 176.300 -0.001 0.000 1.126 15 R CA 1.830 57.929 56.100 -0.001 0.000 0.963 15 R CB -0.817 29.483 30.300 -0.000 0.000 0.858 15 R HN 0.331 nan 8.270 nan 0.000 0.435 16 A N -0.098 122.722 122.820 -0.001 0.000 2.066 16 A HA 0.145 4.465 4.320 -0.000 0.000 0.218 16 A C 2.209 179.791 177.584 -0.003 0.000 1.157 16 A CA 1.278 53.314 52.037 -0.001 0.000 0.670 16 A CB -0.640 18.361 19.000 0.001 0.000 0.804 16 A HN 0.461 nan 8.150 nan 0.000 0.453 17 A N 0.056 122.874 122.820 -0.003 0.000 1.872 17 A HA 0.261 4.581 4.320 -0.000 0.000 0.214 17 A C 2.489 180.069 177.584 -0.007 0.000 1.187 17 A CA 1.667 53.701 52.037 -0.004 0.000 0.614 17 A CB -1.024 17.974 19.000 -0.003 0.000 0.826 17 A HN 0.964 nan 8.150 nan 0.000 0.442 18 A N 0.070 122.886 122.820 -0.006 0.000 1.908 18 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 18 A C 1.895 179.473 177.584 -0.010 0.000 1.181 18 A CA 1.784 53.816 52.037 -0.008 0.000 0.627 18 A CB -0.606 18.391 19.000 -0.006 0.000 0.818 18 A HN 0.649 nan 8.150 nan 0.000 0.445 19 E N -0.437 119.758 120.200 -0.009 0.000 2.110 19 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 19 E C 2.001 178.591 176.600 -0.016 0.000 0.988 19 E CA 1.386 57.780 56.400 -0.010 0.000 0.804 19 E CB -0.169 29.528 29.700 -0.005 0.000 0.745 19 E HN 0.752 nan 8.360 nan 0.000 0.458 20 E N 0.016 120.207 120.200 -0.014 0.000 2.107 20 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 20 E C 2.096 178.679 176.600 -0.028 0.000 0.982 20 E CA 1.080 57.468 56.400 -0.019 0.000 0.809 20 E CB 0.049 29.741 29.700 -0.013 0.000 0.756 20 E HN 0.127 nan 8.360 nan 0.000 0.459 21 T N 0.909 115.449 114.554 -0.024 0.000 2.746 21 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 21 T C 2.089 176.766 174.700 -0.038 0.000 1.039 21 T CA 0.994 63.078 62.100 -0.028 0.000 1.142 21 T CB -0.155 68.702 68.868 -0.019 0.000 0.866 21 T HN -0.026 nan 8.240 nan 0.000 0.444 22 V N 2.084 121.977 119.914 -0.035 0.000 2.343 22 V HA -0.160 3.960 4.120 -0.000 0.000 0.247 22 V C 2.467 178.520 176.094 -0.068 0.000 1.051 22 V CA 1.696 63.970 62.300 -0.043 0.000 1.036 22 V CB -0.693 31.112 31.823 -0.030 0.000 0.654 22 V HN 0.437 nan 8.190 nan 0.000 0.451 23 N N 0.343 119.004 118.700 -0.065 0.000 2.166 23 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 23 N C 1.460 176.891 175.510 -0.132 0.000 1.019 23 N CA 1.595 54.591 53.050 -0.090 0.000 0.856 23 N CB -0.239 38.214 38.487 -0.056 0.000 0.993 23 N HN 0.441 nan 8.380 nan 0.000 0.426 24 D N -0.055 120.286 120.400 -0.099 0.000 2.097 24 D HA -0.075 4.564 4.640 -0.000 0.000 0.195 24 D C 1.972 178.188 176.300 -0.140 0.000 0.989 24 D CA 0.768 54.703 54.000 -0.107 0.000 0.827 24 D CB -0.272 40.488 40.800 -0.068 0.000 0.966 24 D HN 0.338 nan 8.370 nan 0.000 0.456 25 I N 0.445 120.946 120.570 -0.115 0.000 2.151 25 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 25 I C 2.327 178.332 176.117 -0.186 0.000 1.080 25 I CA 0.868 62.097 61.300 -0.119 0.000 1.339 25 I CB -0.221 37.736 38.000 -0.073 0.000 1.039 25 I HN 0.032 nan 8.210 nan 0.000 0.409 26 L N -0.274 120.816 121.223 -0.222 0.000 2.046 26 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 26 L C 2.463 178.958 176.870 -0.625 0.000 1.077 26 L CA 1.405 56.050 54.840 -0.325 0.000 0.747 26 L CB -0.612 41.285 42.059 -0.269 0.000 0.896 26 L HN 0.305 nan 8.230 nan 0.000 0.432 27 Q N -0.233 119.191 119.800 -0.627 0.000 2.436 27 Q HA -0.082 4.258 4.340 -0.000 0.000 0.209 27 Q C 2.166 177.869 176.000 -0.494 0.000 0.965 27 Q CA 0.744 56.055 55.803 -0.821 0.000 0.910 27 Q CB -0.109 28.360 28.738 -0.448 0.000 0.980 27 Q HN 0.593 nan 8.270 nan 0.000 0.491 28 G N 0.465 109.061 108.800 -0.340 0.000 2.471 28 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 28 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 28 G C 1.380 176.180 174.900 -0.167 0.000 1.125 28 G CA 0.741 45.716 45.100 -0.208 0.000 0.775 28 G HN 0.407 nan 8.290 nan 0.000 0.548 29 A N 0.406 123.100 122.820 -0.209 0.000 1.930 29 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 29 A C 2.145 179.884 177.584 0.259 0.000 1.175 29 A CA 1.406 53.469 52.037 0.042 0.000 0.627 29 A CB -0.497 18.560 19.000 0.095 0.000 0.815 29 A HN 0.461 nan 8.150 nan 0.000 0.443 30 W N 0.225 121.552 121.300 0.045 0.000 2.418 30 W HA 0.060 4.719 4.660 -0.000 0.000 0.292 30 W C 2.080 178.551 176.519 -0.079 0.000 1.213 30 W CA 0.647 57.981 57.345 -0.018 0.000 1.283 30 W CB -0.943 28.509 29.460 -0.013 0.000 1.119 30 W HN 0.390 nan 8.180 nan 0.000 0.542 31 K N 0.783 121.242 120.400 0.099 0.000 2.063 31 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 31 K C 2.169 178.712 176.600 -0.094 0.000 1.048 31 K CA 1.974 58.258 56.287 -0.005 0.000 0.928 31 K CB -0.231 32.242 32.500 -0.045 0.000 0.713 31 K HN -0.031 nan 8.250 nan 0.000 0.442 32 A N 0.979 123.725 122.820 -0.123 0.000 1.897 32 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 32 A C 2.087 179.327 177.584 -0.574 0.000 1.181 32 A CA 1.353 53.211 52.037 -0.299 0.000 0.620 32 A CB -0.446 18.446 19.000 -0.181 0.000 0.821 32 A HN 0.239 nan 8.150 nan 0.000 0.443 33 R N 0.135 120.444 120.500 -0.318 0.000 2.096 33 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 33 R C 2.147 178.281 176.300 -0.277 0.000 1.127 33 R CA 1.661 57.535 56.100 -0.377 0.000 0.968 33 R CB -0.765 29.279 30.300 -0.426 0.000 0.861 33 R HN 0.436 nan 8.270 nan 0.000 0.440 34 A N 0.332 123.044 122.820 -0.180 0.000 1.902 34 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 34 A C 2.235 179.755 177.584 -0.107 0.000 1.181 34 A CA 1.532 53.502 52.037 -0.111 0.000 0.623 34 A CB -0.579 18.390 19.000 -0.051 0.000 0.818 34 A HN 0.341 nan 8.150 nan 0.000 0.443 35 I N -0.916 119.550 120.570 -0.173 0.000 2.163 35 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 35 I C 2.401 178.467 176.117 -0.086 0.000 1.085 35 I CA 1.917 63.132 61.300 -0.142 0.000 1.347 35 I CB -0.675 37.203 38.000 -0.203 0.000 1.044 35 I HN 0.515 nan 8.210 nan 0.000 0.408 36 H N -0.533 118.481 119.070 -0.093 0.000 2.352 36 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 36 H C 2.336 177.599 175.328 -0.107 0.000 1.097 36 H CA 1.305 57.282 56.048 -0.118 0.000 1.311 36 H CB -0.064 29.585 29.762 -0.188 0.000 1.377 36 H HN 0.130 nan 8.280 nan 0.000 0.504 37 V N 0.940 120.851 119.914 -0.004 0.000 2.307 37 V HA -0.263 3.856 4.120 -0.000 0.000 0.245 37 V C 2.670 178.755 176.094 -0.015 0.000 1.045 37 V CA 1.573 63.849 62.300 -0.039 0.000 1.024 37 V CB -0.884 30.893 31.823 -0.076 0.000 0.651 37 V HN 0.565 nan 8.190 nan 0.000 0.449 38 A N 0.454 123.281 122.820 0.011 0.000 1.940 38 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 38 A C 2.379 180.004 177.584 0.070 0.000 1.176 38 A CA 2.363 54.437 52.037 0.061 0.000 0.631 38 A CB -0.655 18.464 19.000 0.199 0.000 0.814 38 A HN 0.649 nan 8.150 nan 0.000 0.446 39 V N -2.463 117.484 119.914 0.056 0.000 2.535 39 V HA -0.086 4.034 4.120 -0.000 0.000 0.246 39 V C 2.085 178.196 176.094 0.028 0.000 1.045 39 V CA 1.951 64.281 62.300 0.050 0.000 1.058 39 V CB -0.828 31.025 31.823 0.050 0.000 0.689 39 V HN 0.611 nan 8.190 nan 0.000 0.461 40 E N 0.606 120.813 120.200 0.011 0.000 2.118 40 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 40 E C 2.037 178.633 176.600 -0.006 0.000 0.992 40 E CA 1.792 58.188 56.400 -0.007 0.000 0.804 40 E CB -0.199 29.481 29.700 -0.034 0.000 0.741 40 E HN 0.706 nan 8.360 nan 0.000 0.458 41 L N -0.483 120.734 121.223 -0.010 0.000 2.554 41 L HA 0.133 4.473 4.340 -0.000 0.000 0.226 41 L C 1.304 178.170 176.870 -0.008 0.000 1.137 41 L CA 0.382 55.212 54.840 -0.018 0.000 0.863 41 L CB -0.014 42.023 42.059 -0.037 0.000 0.985 41 L HN 0.398 nan 8.230 nan 0.000 0.451 42 G N 0.033 108.840 108.800 0.011 0.000 2.246 42 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.273 42 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.273 42 G C 0.732 175.646 174.900 0.022 0.000 1.055 42 G CA 0.360 45.473 45.100 0.022 0.000 0.851 42 G HN 0.136 nan 8.290 nan 0.000 0.500 43 V N 0.537 120.466 119.914 0.025 0.000 2.261 43 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 43 V C 0.908 177.054 176.094 0.086 0.000 1.047 43 V CA 2.582 64.879 62.300 -0.005 0.000 1.015 43 V CB -0.976 30.778 31.823 -0.115 0.000 0.642 43 V HN 0.422 nan 8.190 nan 0.000 0.446 44 P HA -0.167 nan 4.420 nan 0.000 0.217 44 P C 1.406 178.780 177.300 0.124 0.000 1.148 44 P CA 1.354 64.599 63.100 0.241 0.000 0.828 44 P CB -0.035 31.755 31.700 0.150 0.000 0.783 45 E N -0.633 119.613 120.200 0.077 0.000 2.153 45 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 45 E C 1.609 178.234 176.600 0.041 0.000 0.988 45 E CA 0.834 57.264 56.400 0.050 0.000 0.811 45 E CB -0.847 28.874 29.700 0.035 0.000 0.746 45 E HN 0.288 nan 8.360 nan 0.000 0.466 46 L N 0.006 121.250 121.223 0.035 0.000 2.599 46 L HA 0.097 4.437 4.340 -0.000 0.000 0.230 46 L C 1.211 178.098 176.870 0.028 0.000 1.141 46 L CA 0.239 55.089 54.840 0.018 0.000 0.877 46 L CB 0.046 42.101 42.059 -0.007 0.000 1.009 46 L HN 0.122 nan 8.230 nan 0.000 0.447 47 L N -1.243 120.014 121.223 0.057 0.000 2.858 47 L HA 0.128 4.468 4.340 -0.000 0.000 0.251 47 L C 1.928 178.839 176.870 0.067 0.000 1.149 47 L CA -0.003 54.881 54.840 0.072 0.000 0.955 47 L CB 0.249 42.385 42.059 0.127 0.000 1.289 47 L HN 0.231 nan 8.230 nan 0.000 0.542 48 Q N 0.668 120.500 119.800 0.053 0.000 2.224 48 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 48 Q C 0.629 176.649 176.000 0.034 0.000 0.970 48 Q CA 1.183 57.011 55.803 0.042 0.000 0.865 48 Q CB 0.152 28.910 28.738 0.034 0.000 0.922 48 Q HN 0.513 nan 8.270 nan 0.000 0.445 49 E N -0.285 119.933 120.200 0.031 0.000 2.496 49 E HA 0.295 4.645 4.350 -0.000 0.000 0.202 49 E C -0.184 176.431 176.600 0.025 0.000 1.021 49 E CA -0.152 56.263 56.400 0.025 0.000 1.015 49 E CB 1.009 30.721 29.700 0.020 0.000 1.102 49 E HN 0.309 nan 8.360 nan 0.000 0.452 50 G N 1.485 110.304 108.800 0.032 0.000 2.440 50 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.684 50 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.684 50 G C -3.009 171.912 174.900 0.036 0.000 1.309 50 G CA -1.401 43.718 45.100 0.031 0.000 0.931 50 G HN -0.104 nan 8.290 nan 0.000 0.612 51 P HA 0.495 nan 4.420 nan 0.000 0.269 51 P C -0.289 177.024 177.300 0.022 0.000 1.215 51 P CA -0.085 63.033 63.100 0.030 0.000 0.780 51 P CB 0.524 32.228 31.700 0.006 0.000 0.898 52 R N 0.041 120.561 120.500 0.033 0.000 2.740 52 R HA 0.442 4.782 4.340 -0.000 0.000 0.273 52 R C -0.279 176.053 176.300 0.054 0.000 0.998 52 R CA -0.618 55.499 56.100 0.027 0.000 0.900 52 R CB 1.205 31.516 30.300 0.018 0.000 1.223 52 R HN 0.489 nan 8.270 nan 0.000 0.466 53 T N -1.753 112.820 114.554 0.032 0.000 2.868 53 T HA 0.299 4.649 4.350 -0.000 0.000 0.292 53 T C 1.468 176.228 174.700 0.099 0.000 1.028 53 T CA 0.030 62.163 62.100 0.056 0.000 1.059 53 T CB 1.230 70.103 68.868 0.009 0.000 0.991 53 T HN 0.569 nan 8.240 nan 0.000 0.531 54 A N 1.891 124.817 122.820 0.176 0.000 1.940 54 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 54 A C 2.465 180.041 177.584 -0.014 0.000 1.176 54 A CA 2.154 54.235 52.037 0.073 0.000 0.631 54 A CB -1.775 17.306 19.000 0.136 0.000 0.814 54 A HN 0.952 nan 8.150 nan 0.000 0.446 55 T N 0.565 115.116 114.554 -0.005 0.000 2.622 55 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 55 T C 2.267 176.947 174.700 -0.034 0.000 1.047 55 T CA 1.991 64.072 62.100 -0.032 0.000 1.159 55 T CB -0.684 68.168 68.868 -0.026 0.000 0.863 55 T HN 0.643 nan 8.240 nan 0.000 0.422 56 A N 1.227 124.034 122.820 -0.021 0.000 1.917 56 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 56 A C 2.379 179.942 177.584 -0.035 0.000 1.182 56 A CA 1.471 53.495 52.037 -0.023 0.000 0.633 56 A CB -1.013 17.979 19.000 -0.012 0.000 0.819 56 A HN 0.489 nan 8.150 nan 0.000 0.448 57 L N -0.981 120.214 121.223 -0.047 0.000 2.046 57 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 57 L C 3.116 179.936 176.870 -0.083 0.000 1.077 57 L CA 1.079 55.872 54.840 -0.079 0.000 0.747 57 L CB -0.564 41.414 42.059 -0.135 0.000 0.896 57 L HN 0.452 nan 8.230 nan 0.000 0.432 58 A N -0.088 122.682 122.820 -0.084 0.000 1.902 58 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 58 A C 2.240 179.791 177.584 -0.056 0.000 1.181 58 A CA 1.930 53.920 52.037 -0.078 0.000 0.623 58 A CB -0.507 18.438 19.000 -0.092 0.000 0.818 58 A HN 0.467 nan 8.150 nan 0.000 0.443 59 E N -0.143 120.028 120.200 -0.048 0.000 2.072 59 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 59 E C 2.054 178.638 176.600 -0.028 0.000 0.985 59 E CA 1.150 57.530 56.400 -0.034 0.000 0.801 59 E CB -0.295 29.388 29.700 -0.030 0.000 0.750 59 E HN 0.514 nan 8.360 nan 0.000 0.452 60 A N 0.142 122.944 122.820 -0.030 0.000 1.933 60 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 60 A C 2.378 179.947 177.584 -0.024 0.000 1.175 60 A CA 2.146 54.169 52.037 -0.024 0.000 0.628 60 A CB -0.888 18.097 19.000 -0.025 0.000 0.814 60 A HN 0.483 nan 8.150 nan 0.000 0.444 61 T N -4.505 110.028 114.554 -0.034 0.000 3.086 61 T HA 0.411 4.761 4.350 -0.000 0.000 0.250 61 T C 1.220 175.904 174.700 -0.026 0.000 1.074 61 T CA 0.980 63.061 62.100 -0.032 0.000 0.988 61 T CB 0.024 68.863 68.868 -0.048 0.000 0.988 61 T HN 1.735 nan 8.240 nan 0.000 0.530 62 G N 1.217 110.003 108.800 -0.024 0.000 2.225 62 G HA2 0.073 4.033 3.960 -0.000 0.000 0.264 62 G HA3 0.073 4.033 3.960 -0.000 0.000 0.264 62 G C 0.119 175.011 174.900 -0.013 0.000 1.060 62 G CA -0.128 44.963 45.100 -0.016 0.000 0.833 62 G HN 1.142 nan 8.290 nan 0.000 0.498 63 A N -0.228 122.579 122.820 -0.021 0.000 2.311 63 A HA 0.749 5.069 4.320 -0.000 0.000 0.334 63 A C 0.339 177.933 177.584 0.018 0.000 1.139 63 A CA -0.423 51.609 52.037 -0.009 0.000 0.830 63 A CB 0.696 19.672 19.000 -0.041 0.000 1.234 63 A HN 0.833 nan 8.150 nan 0.000 0.483 64 H N 0.802 119.840 119.070 -0.053 0.000 2.848 64 H HA 0.045 4.601 4.556 -0.000 0.000 0.317 64 H C 0.958 176.256 175.328 -0.050 0.000 1.046 64 H CA 0.849 56.869 56.048 -0.046 0.000 1.470 64 H CB 0.860 30.594 29.762 -0.046 0.000 1.483 64 H HN 0.982 nan 8.280 nan 0.000 0.548 65 E N 3.264 123.208 120.200 -0.427 0.000 2.038 65 E HA -0.292 4.058 4.350 -0.000 0.000 0.195 65 E C 1.672 178.115 176.600 -0.262 0.000 1.000 65 E CA 1.366 57.592 56.400 -0.290 0.000 0.803 65 E CB 0.175 29.733 29.700 -0.237 0.000 0.750 65 E HN 0.670 nan 8.360 nan 0.000 0.448 66 Q N 0.189 119.744 119.800 -0.407 0.000 2.124 66 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 66 Q C 1.929 177.931 176.000 0.003 0.000 0.977 66 Q CA 2.390 58.111 55.803 -0.137 0.000 0.850 66 Q CB -0.478 28.229 28.738 -0.052 0.000 0.901 66 Q HN 0.294 nan 8.270 nan 0.000 0.429 67 T N 0.677 115.308 114.554 0.128 0.000 2.851 67 T HA -0.067 4.283 4.350 -0.000 0.000 0.262 67 T C 1.571 176.267 174.700 -0.007 0.000 1.043 67 T CA 0.888 63.051 62.100 0.105 0.000 1.140 67 T CB -0.303 68.661 68.868 0.160 0.000 0.872 67 T HN 0.217 nan 8.240 nan 0.000 0.446 68 L N 1.815 123.012 121.223 -0.044 0.000 2.042 68 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 68 L C 2.515 179.283 176.870 -0.170 0.000 1.076 68 L CA 1.747 56.513 54.840 -0.123 0.000 0.749 68 L CB -0.582 41.392 42.059 -0.143 0.000 0.893 68 L HN 0.086 nan 8.230 nan 0.000 0.432 69 R N -0.783 119.651 120.500 -0.109 0.000 2.096 69 R HA -0.182 4.158 4.340 -0.000 0.000 0.235 69 R C 2.388 178.675 176.300 -0.022 0.000 1.127 69 R CA 1.514 57.584 56.100 -0.050 0.000 0.968 69 R CB -0.136 30.189 30.300 0.042 0.000 0.861 69 R HN 0.343 nan 8.270 nan 0.000 0.440 70 R N 0.100 120.586 120.500 -0.022 0.000 2.073 70 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 70 R C 2.363 178.643 176.300 -0.034 0.000 1.134 70 R CA 1.500 57.595 56.100 -0.008 0.000 0.952 70 R CB -0.469 29.829 30.300 -0.004 0.000 0.850 70 R HN 0.184 nan 8.270 nan 0.000 0.433 71 L N 0.838 122.014 121.223 -0.077 0.000 2.017 71 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 71 L C 1.911 178.708 176.870 -0.123 0.000 1.073 71 L CA 1.647 56.433 54.840 -0.090 0.000 0.745 71 L CB -0.215 41.777 42.059 -0.111 0.000 0.894 71 L HN 0.140 nan 8.230 nan 0.000 0.432 72 L N -1.092 119.968 121.223 -0.272 0.000 2.093 72 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 72 L C 2.733 179.513 176.870 -0.149 0.000 1.085 72 L CA 1.062 55.622 54.840 -0.466 0.000 0.755 72 L CB -0.525 40.777 42.059 -1.262 0.000 0.904 72 L HN 0.195 nan 8.230 nan 0.000 0.435 73 R N -0.310 120.204 120.500 0.023 0.000 2.092 73 R HA -0.160 4.179 4.340 -0.000 0.000 0.231 73 R C 2.217 178.583 176.300 0.111 0.000 1.119 73 R CA 1.206 57.421 56.100 0.191 0.000 0.970 73 R CB -0.474 29.930 30.300 0.173 0.000 0.864 73 R HN 0.193 nan 8.270 nan 0.000 0.440 74 L N 1.205 122.463 121.223 0.058 0.000 1.994 74 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 74 L C 2.001 178.908 176.870 0.062 0.000 1.071 74 L CA 1.627 56.500 54.840 0.055 0.000 0.745 74 L CB -0.625 41.458 42.059 0.040 0.000 0.892 74 L HN 0.118 nan 8.230 nan 0.000 0.431 75 L N -0.357 120.903 121.223 0.062 0.000 2.043 75 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 75 L C 2.642 179.583 176.870 0.117 0.000 1.075 75 L CA 1.458 56.353 54.840 0.092 0.000 0.752 75 L CB -0.763 41.396 42.059 0.167 0.000 0.891 75 L HN 0.468 nan 8.230 nan 0.000 0.432 76 A N -0.339 122.577 122.820 0.160 0.000 1.933 76 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 76 A C 2.358 180.005 177.584 0.104 0.000 1.175 76 A CA 2.082 54.222 52.037 0.171 0.000 0.628 76 A CB -0.975 18.175 19.000 0.250 0.000 0.814 76 A HN 0.551 nan 8.150 nan 0.000 0.444 77 T N -1.783 112.824 114.554 0.088 0.000 2.929 77 T HA -0.043 4.307 4.350 -0.000 0.000 0.271 77 T C 1.067 175.791 174.700 0.039 0.000 1.085 77 T CA 1.423 63.559 62.100 0.059 0.000 1.125 77 T CB -0.767 68.133 68.868 0.054 0.000 0.874 77 T HN 0.912 nan 8.240 nan 0.000 0.494 78 V N -2.287 117.647 119.914 0.035 0.000 2.982 78 V HA 0.790 4.910 4.120 -0.000 0.000 0.368 78 V C 1.376 177.471 176.094 0.001 0.000 1.350 78 V CA -0.227 62.080 62.300 0.011 0.000 1.251 78 V CB -0.825 30.998 31.823 -0.001 0.000 1.284 78 V HN 0.653 nan 8.190 nan 0.000 0.533 79 G N 0.152 108.961 108.800 0.015 0.000 2.179 79 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.260 79 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.260 79 G C 0.041 174.924 174.900 -0.028 0.000 0.977 79 G CA 0.093 45.193 45.100 -0.000 0.000 0.641 79 G HN 1.052 nan 8.290 nan 0.000 0.533 80 V N 0.933 120.829 119.914 -0.031 0.000 2.394 80 V HA 0.765 4.884 4.120 -0.000 0.000 0.282 80 V C 0.660 176.726 176.094 -0.046 0.000 1.031 80 V CA -0.267 61.940 62.300 -0.155 0.000 0.881 80 V CB 0.168 31.863 31.823 -0.213 0.000 0.982 80 V HN 0.738 nan 8.190 nan 0.000 0.451 81 F N 1.398 121.354 119.950 0.010 0.000 2.177 81 F HA -0.172 4.355 4.527 -0.000 0.000 0.339 81 F C 0.134 175.980 175.800 0.077 0.000 1.260 81 F CA 0.282 58.306 58.000 0.040 0.000 0.998 81 F CB -0.112 38.902 39.000 0.024 0.000 4.007 81 F HN 0.619 nan 8.300 nan 0.000 0.261 82 D N 1.537 122.121 120.400 0.308 0.000 2.256 82 D HA 0.217 4.857 4.640 -0.000 0.000 0.240 82 D C -1.104 175.333 176.300 0.229 0.000 1.062 82 D CA -0.362 53.758 54.000 0.201 0.000 0.832 82 D CB 1.160 42.030 40.800 0.117 0.000 1.135 82 D HN 0.457 nan 8.370 nan 0.000 0.484 83 D N 4.139 124.637 120.400 0.163 0.000 2.380 83 D HA 0.077 4.717 4.640 -0.000 0.000 0.230 83 D C 1.222 177.432 176.300 -0.151 0.000 1.154 83 D CA -0.325 53.654 54.000 -0.035 0.000 0.859 83 D CB 0.810 41.651 40.800 0.068 0.000 1.045 83 D HN 0.422 nan 8.370 nan 0.000 0.495 84 L N 3.183 124.231 121.223 -0.293 0.000 2.362 84 L HA 0.035 4.375 4.340 -0.000 0.000 0.219 84 L C 1.742 178.515 176.870 -0.163 0.000 1.134 84 L CA 0.749 55.454 54.840 -0.225 0.000 0.807 84 L CB -0.431 41.399 42.059 -0.383 0.000 0.927 84 L HN 0.753 nan 8.230 nan 0.000 0.447 85 G N 0.708 109.368 108.800 -0.233 0.000 2.160 85 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.251 85 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.251 85 G C 0.062 174.948 174.900 -0.023 0.000 1.008 85 G CA 0.738 45.773 45.100 -0.108 0.000 0.724 85 G HN 0.760 nan 8.290 nan 0.000 0.514 86 H N -4.017 114.965 119.070 -0.147 0.000 3.064 86 H HA 0.551 5.107 4.556 -0.000 0.000 0.352 86 H C 0.158 175.410 175.328 -0.127 0.000 1.260 86 H CA -0.407 55.575 56.048 -0.111 0.000 1.160 86 H CB 0.705 30.421 29.762 -0.076 0.000 1.879 86 H HN -0.034 nan 8.280 nan 0.000 0.544 87 D N 1.140 121.541 120.400 0.001 0.000 2.955 87 D HA -0.233 4.406 4.640 -0.000 0.000 0.226 87 D C -0.068 176.147 176.300 -0.142 0.000 1.178 87 D CA 1.949 55.932 54.000 -0.029 0.000 0.808 87 D CB -0.823 40.033 40.800 0.093 0.000 1.099 87 D HN 0.950 nan 8.370 nan 0.000 0.421 88 D N -1.336 118.937 120.400 -0.211 0.000 3.041 88 D HA -0.207 4.433 4.640 -0.000 0.000 0.220 88 D C -0.187 175.907 176.300 -0.343 0.000 1.157 88 D CA 0.626 54.491 54.000 -0.225 0.000 0.876 88 D CB -0.941 39.816 40.800 -0.072 0.000 1.107 88 D HN 0.487 nan 8.370 nan 0.000 0.422 89 L N 0.047 120.977 121.223 -0.488 0.000 2.350 89 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 89 L C 0.314 176.789 176.870 -0.657 0.000 1.099 89 L CA -0.449 54.139 54.840 -0.420 0.000 0.808 89 L CB 0.672 42.502 42.059 -0.381 0.000 1.149 89 L HN -0.109 nan 8.230 nan 0.000 0.442 90 F N 1.108 120.987 119.950 -0.119 0.000 2.563 90 F HA 0.755 5.282 4.527 -0.000 0.000 0.316 90 F C 0.204 175.980 175.800 -0.040 0.000 1.076 90 F CA -0.581 57.368 58.000 -0.085 0.000 0.921 90 F CB 1.978 40.897 39.000 -0.135 0.000 1.209 90 F HN 0.417 nan 8.300 nan 0.000 0.462 91 A N 1.389 124.328 122.820 0.199 0.000 2.479 91 A HA 0.707 5.027 4.320 -0.000 0.000 0.296 91 A C -1.078 176.646 177.584 0.233 0.000 1.121 91 A CA -0.840 51.291 52.037 0.156 0.000 0.743 91 A CB 1.516 20.569 19.000 0.088 0.000 1.323 91 A HN 0.657 nan 8.150 nan 0.000 0.415 92 Q N 0.665 120.578 119.800 0.188 0.000 2.395 92 Q HA 0.345 4.685 4.340 -0.000 0.000 0.271 92 Q C -0.019 176.043 176.000 0.103 0.000 1.026 92 Q CA 0.594 56.502 55.803 0.174 0.000 0.900 92 Q CB 0.425 29.228 28.738 0.108 0.000 1.266 92 Q HN 0.892 nan 8.270 nan 0.000 0.430 93 N N 0.971 119.696 118.700 0.041 0.000 3.038 93 N HA 0.456 5.196 4.740 -0.000 0.000 0.307 93 N C -0.249 175.240 175.510 -0.035 0.000 1.441 93 N CA -0.139 52.915 53.050 0.007 0.000 0.772 93 N CB 0.040 38.536 38.487 0.014 0.000 1.651 93 N HN 0.446 nan 8.380 nan 0.000 0.593 94 A N 0.023 122.825 122.820 -0.030 0.000 1.917 94 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 94 A C 2.003 179.546 177.584 -0.068 0.000 1.182 94 A CA 1.412 53.427 52.037 -0.037 0.000 0.633 94 A CB -1.103 17.882 19.000 -0.024 0.000 0.819 94 A HN 0.584 nan 8.150 nan 0.000 0.448 95 L N 0.164 121.331 121.223 -0.094 0.000 2.027 95 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 95 L C 3.080 179.821 176.870 -0.214 0.000 1.074 95 L CA 1.802 56.561 54.840 -0.134 0.000 0.745 95 L CB -0.759 41.218 42.059 -0.136 0.000 0.898 95 L HN 0.660 nan 8.230 nan 0.000 0.433 96 S N 0.249 115.756 115.700 -0.321 0.000 2.383 96 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 96 S C 2.201 176.662 174.600 -0.231 0.000 1.026 96 S CA 0.790 58.688 58.200 -0.502 0.000 0.981 96 S CB -0.386 62.230 63.200 -0.975 0.000 0.818 96 S HN 0.332 nan 8.310 nan 0.000 0.472 97 A N 1.651 124.396 122.820 -0.124 0.000 1.948 97 A HA -0.008 4.312 4.320 -0.000 0.000 0.220 97 A C 2.373 179.929 177.584 -0.048 0.000 1.177 97 A CA 1.771 53.776 52.037 -0.053 0.000 0.636 97 A CB -1.315 17.668 19.000 -0.029 0.000 0.815 97 A HN 0.488 nan 8.150 nan 0.000 0.449 98 V N -0.082 119.794 119.914 -0.064 0.000 2.688 98 V HA -0.225 3.895 4.120 -0.000 0.000 0.256 98 V C 2.124 178.193 176.094 -0.041 0.000 1.084 98 V CA 1.812 64.084 62.300 -0.047 0.000 1.103 98 V CB -0.620 31.170 31.823 -0.055 0.000 0.688 98 V HN 0.586 nan 8.190 nan 0.000 0.480 99 L N -0.776 120.410 121.223 -0.062 0.000 2.591 99 L HA 0.175 4.515 4.340 -0.000 0.000 0.228 99 L C 0.701 177.568 176.870 -0.005 0.000 1.133 99 L CA -0.009 54.807 54.840 -0.039 0.000 0.880 99 L CB -0.194 41.822 42.059 -0.071 0.000 1.033 99 L HN 0.229 nan 8.230 nan 0.000 0.450 100 L N 3.015 124.237 121.223 -0.002 0.000 2.499 100 L HA 0.077 4.417 4.340 -0.000 0.000 0.273 100 L C -1.650 175.231 176.870 0.019 0.000 1.195 100 L CA -1.516 53.333 54.840 0.016 0.000 0.882 100 L CB 0.091 42.159 42.059 0.015 0.000 1.133 100 L HN -0.114 nan 8.230 nan 0.000 0.483 101 P HA 0.025 nan 4.420 nan 0.000 0.263 101 P C -1.038 176.276 177.300 0.023 0.000 1.195 101 P CA 0.200 63.316 63.100 0.027 0.000 0.762 101 P CB 0.876 32.594 31.700 0.030 0.000 0.799 102 D N 4.282 124.695 120.400 0.022 0.000 2.726 102 D HA 0.169 4.809 4.640 -0.000 0.000 0.203 102 D C -2.417 173.893 176.300 0.017 0.000 1.297 102 D CA -1.732 52.279 54.000 0.018 0.000 0.863 102 D CB 1.323 42.132 40.800 0.015 0.000 1.669 102 D HN -0.032 nan 8.370 nan 0.000 0.561 103 P HA 0.120 nan 4.420 nan 0.000 0.230 103 P C 0.686 177.991 177.300 0.008 0.000 1.158 103 P CA 0.619 63.726 63.100 0.012 0.000 0.769 103 P CB 0.353 32.061 31.700 0.012 0.000 0.807 104 A N -1.328 121.498 122.820 0.011 0.000 2.267 104 A HA 0.160 4.480 4.320 -0.000 0.000 0.213 104 A C 1.233 178.825 177.584 0.013 0.000 1.192 104 A CA 0.216 52.259 52.037 0.011 0.000 0.851 104 A CB -0.361 18.646 19.000 0.012 0.000 0.881 104 A HN 0.144 nan 8.150 nan 0.000 0.494 105 S N 0.821 116.529 115.700 0.013 0.000 2.415 105 S HA 0.410 4.880 4.470 -0.000 0.000 0.313 105 S C -1.685 172.925 174.600 0.017 0.000 1.067 105 S CA -1.624 56.584 58.200 0.014 0.000 1.099 105 S CB 0.672 63.880 63.200 0.013 0.000 0.991 105 S HN 0.098 nan 8.310 nan 0.000 0.491 106 P HA -0.153 nan 4.420 nan 0.000 0.216 106 P C 1.451 178.770 177.300 0.033 0.000 1.157 106 P CA 0.990 64.104 63.100 0.023 0.000 0.880 106 P CB 0.093 31.809 31.700 0.027 0.000 0.791 107 V N -0.499 119.432 119.914 0.028 0.000 2.453 107 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 107 V C 2.425 178.540 176.094 0.034 0.000 1.048 107 V CA 2.059 64.377 62.300 0.030 0.000 1.049 107 V CB -1.667 30.163 31.823 0.011 0.000 0.672 107 V HN 0.101 nan 8.190 nan 0.000 0.457 108 A N 0.944 123.780 122.820 0.027 0.000 1.897 108 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 108 A C 2.503 180.117 177.584 0.049 0.000 1.181 108 A CA 2.246 54.301 52.037 0.030 0.000 0.620 108 A CB -0.951 18.061 19.000 0.020 0.000 0.821 108 A HN 0.604 nan 8.150 nan 0.000 0.443 109 T N -2.428 112.154 114.554 0.047 0.000 2.867 109 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 109 T C 1.544 176.309 174.700 0.109 0.000 1.057 109 T CA 1.672 63.808 62.100 0.059 0.000 1.136 109 T CB -0.356 68.525 68.868 0.021 0.000 0.874 109 T HN 0.345 nan 8.240 nan 0.000 0.466 110 D N 1.730 122.197 120.400 0.113 0.000 2.149 110 D HA 0.135 4.774 4.640 -0.000 0.000 0.201 110 D C 2.343 178.744 176.300 0.169 0.000 0.972 110 D CA 1.142 55.260 54.000 0.196 0.000 0.835 110 D CB -0.516 40.379 40.800 0.160 0.000 0.966 110 D HN 0.480 nan 8.370 nan 0.000 0.476 111 A N 0.453 123.339 122.820 0.110 0.000 1.877 111 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 111 A C 2.261 179.879 177.584 0.057 0.000 1.186 111 A CA 1.843 53.949 52.037 0.114 0.000 0.620 111 A CB -0.580 18.482 19.000 0.103 0.000 0.822 111 A HN 0.165 nan 8.150 nan 0.000 0.443 112 R N -0.795 119.746 120.500 0.068 0.000 2.083 112 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 112 R C 1.778 178.098 176.300 0.033 0.000 1.137 112 R CA 2.043 58.171 56.100 0.046 0.000 0.951 112 R CB -1.141 29.206 30.300 0.078 0.000 0.851 112 R HN 0.475 nan 8.270 nan 0.000 0.434 113 F N 1.462 121.377 119.950 -0.057 0.000 2.091 113 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 113 F C 1.748 177.371 175.800 -0.295 0.000 1.103 113 F CA 2.043 60.024 58.000 -0.030 0.000 1.228 113 F CB -0.491 38.575 39.000 0.110 0.000 0.984 113 F HN 0.197 nan 8.300 nan 0.000 0.477 114 Q N -0.388 119.043 119.800 -0.614 0.000 2.435 114 Q HA 0.038 4.378 4.340 -0.000 0.000 0.207 114 Q C 2.294 177.642 176.000 -1.086 0.000 0.956 114 Q CA 0.685 55.749 55.803 -1.232 0.000 0.917 114 Q CB -0.283 27.890 28.738 -0.942 0.000 0.997 114 Q HN 0.515 nan 8.270 nan 0.000 0.497 115 A N 1.569 123.943 122.820 -0.743 0.000 1.969 115 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 115 A C 1.319 178.635 177.584 -0.447 0.000 1.169 115 A CA 0.628 52.358 52.037 -0.511 0.000 0.635 115 A CB -0.537 18.326 19.000 -0.228 0.000 0.810 115 A HN 0.354 nan 8.150 nan 0.000 0.445 116 A N 0.522 123.013 122.820 -0.548 0.000 2.591 116 A HA 0.272 4.591 4.320 -0.000 0.000 0.244 116 A C -0.839 176.368 177.584 -0.627 0.000 1.031 116 A CA -0.067 51.504 52.037 -0.777 0.000 0.767 116 A CB -0.152 17.891 19.000 -1.594 0.000 0.942 116 A HN 0.298 nan 8.150 nan 0.000 0.514 117 P HA -0.142 nan 4.420 nan 0.000 0.218 117 P C 1.474 178.762 177.300 -0.020 0.000 1.149 117 P CA 1.655 64.668 63.100 -0.145 0.000 0.817 117 P CB -0.124 31.535 31.700 -0.067 0.000 0.785 118 W N -1.373 119.980 121.300 0.088 0.000 2.467 118 W HA -0.047 4.613 4.660 -0.000 0.000 0.275 118 W C 1.821 178.369 176.519 0.049 0.000 1.239 118 W CA 0.279 57.625 57.345 0.002 0.000 1.266 118 W CB -1.806 27.643 29.460 -0.018 0.000 1.112 118 W HN 0.103 nan 8.180 nan 0.000 0.576 119 H N 0.538 119.638 119.070 0.050 0.000 2.261 119 H HA -0.233 4.323 4.556 0.000 0.000 0.301 119 H C 2.127 177.588 175.328 0.222 0.000 1.067 119 H CA 2.304 58.433 56.048 0.135 0.000 1.297 119 H CB -1.277 28.243 29.762 -0.402 0.000 1.377 119 H HN 0.192 nan 8.280 nan 0.000 0.492 120 W N 2.387 123.801 121.300 0.189 0.000 2.313 120 W HA -0.250 4.410 4.660 0.000 0.000 0.293 120 W C 2.622 179.250 176.519 0.182 0.000 1.216 120 W CA 1.802 59.263 57.345 0.192 0.000 1.223 120 W CB -0.251 29.227 29.460 0.031 0.000 1.138 120 W HN 0.278 nan 8.180 nan 0.000 0.535 121 R N 0.497 121.137 120.500 0.233 0.000 2.090 121 R HA -0.088 4.252 4.340 -0.000 0.000 0.228 121 R C 2.543 178.813 176.300 -0.050 0.000 1.110 121 R CA 1.717 57.865 56.100 0.080 0.000 0.973 121 R CB -0.705 29.626 30.300 0.051 0.000 0.869 121 R HN 0.030 nan 8.270 nan 0.000 0.440 122 A N -0.046 122.717 122.820 -0.095 0.000 1.940 122 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 122 A C 1.725 179.174 177.584 -0.225 0.000 1.176 122 A CA 1.344 53.263 52.037 -0.196 0.000 0.631 122 A CB -0.979 17.938 19.000 -0.138 0.000 0.814 122 A HN 0.598 nan 8.150 nan 0.000 0.446 123 W N -0.005 121.183 121.300 -0.187 0.000 2.465 123 W HA -0.044 4.616 4.660 -0.000 0.000 0.268 123 W C 2.175 178.551 176.519 -0.237 0.000 1.242 123 W CA 1.036 58.239 57.345 -0.237 0.000 1.248 123 W CB 0.036 29.273 29.460 -0.372 0.000 1.118 123 W HN 0.542 nan 8.180 nan 0.000 0.587 124 E N 0.129 120.301 120.200 -0.047 0.000 2.153 124 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 124 E C 1.353 177.941 176.600 -0.020 0.000 0.988 124 E CA 0.975 57.349 56.400 -0.044 0.000 0.811 124 E CB 0.025 29.711 29.700 -0.023 0.000 0.746 124 E HN 0.197 nan 8.360 nan 0.000 0.466 125 Q N 0.407 120.180 119.800 -0.045 0.000 2.201 125 Q HA 0.040 4.380 4.340 -0.000 0.000 0.217 125 Q C 1.536 177.528 176.000 -0.013 0.000 0.860 125 Q CA -0.183 55.602 55.803 -0.031 0.000 0.984 125 Q CB 0.641 29.337 28.738 -0.069 0.000 1.095 125 Q HN 0.267 nan 8.270 nan 0.000 0.477 126 L N 0.763 121.970 121.223 -0.027 0.000 2.081 126 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 126 L C 1.792 178.659 176.870 -0.005 0.000 1.080 126 L CA 2.031 56.846 54.840 -0.041 0.000 0.754 126 L CB -0.779 41.307 42.059 0.046 0.000 0.893 126 L HN 0.104 nan 8.230 nan 0.000 0.433 127 T N -1.704 112.865 114.554 0.025 0.000 2.720 127 T HA -0.266 4.084 4.350 -0.000 0.000 0.268 127 T C 1.700 176.417 174.700 0.027 0.000 1.037 127 T CA 1.643 63.758 62.100 0.025 0.000 1.144 127 T CB -0.448 68.440 68.868 0.033 0.000 0.864 127 T HN 0.637 nan 8.240 nan 0.000 0.444 128 H N 1.300 120.346 119.070 -0.040 0.000 2.265 128 H HA -0.083 4.473 4.556 -0.000 0.000 0.295 128 H C 2.422 177.720 175.328 -0.050 0.000 1.084 128 H CA 2.138 58.161 56.048 -0.041 0.000 1.261 128 H CB -0.498 29.237 29.762 -0.046 0.000 1.360 128 H HN 0.188 nan 8.280 nan 0.000 0.487 129 S N -0.735 114.925 115.700 -0.066 0.000 2.359 129 S HA -0.167 4.302 4.470 -0.000 0.000 0.224 129 S C 2.421 176.937 174.600 -0.140 0.000 1.035 129 S CA 1.313 59.432 58.200 -0.134 0.000 1.018 129 S CB -0.471 62.662 63.200 -0.112 0.000 0.876 129 S HN 0.284 nan 8.310 nan 0.000 0.448 130 V N 1.683 121.540 119.914 -0.095 0.000 2.490 130 V HA -0.129 3.991 4.120 -0.000 0.000 0.250 130 V C 2.359 178.401 176.094 -0.087 0.000 1.061 130 V CA 1.549 63.804 62.300 -0.074 0.000 1.064 130 V CB -0.590 31.209 31.823 -0.039 0.000 0.670 130 V HN 0.371 nan 8.190 nan 0.000 0.461 131 R N 0.002 120.435 120.500 -0.111 0.000 2.193 131 R HA -0.064 4.276 4.340 -0.000 0.000 0.213 131 R C 2.104 178.311 176.300 -0.155 0.000 1.055 131 R CA 1.714 57.745 56.100 -0.114 0.000 0.995 131 R CB -0.092 30.149 30.300 -0.099 0.000 0.893 131 R HN 0.745 nan 8.270 nan 0.000 0.459 132 T N -6.298 108.118 114.554 -0.230 0.000 2.992 132 T HA 0.224 4.574 4.350 -0.000 0.000 0.255 132 T C 1.328 175.934 174.700 -0.156 0.000 0.938 132 T CA 0.485 62.448 62.100 -0.227 0.000 0.895 132 T CB 1.198 69.828 68.868 -0.397 0.000 1.221 132 T HN 0.246 nan 8.240 nan 0.000 0.512 133 G N 1.382 110.093 108.800 -0.147 0.000 2.205 133 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.261 133 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.261 133 G C -0.138 174.711 174.900 -0.085 0.000 0.980 133 G CA 0.330 45.372 45.100 -0.097 0.000 0.632 133 G HN 0.694 nan 8.290 nan 0.000 0.533 134 E N 0.268 120.407 120.200 -0.103 0.000 2.280 134 E HA 0.656 5.006 4.350 -0.000 0.000 0.264 134 E C 0.734 177.317 176.600 -0.028 0.000 1.064 134 E CA -0.227 56.147 56.400 -0.044 0.000 0.900 134 E CB 1.012 30.712 29.700 0.000 0.000 1.123 134 E HN 0.667 nan 8.360 nan 0.000 0.418 135 A N 1.012 123.826 122.820 -0.010 0.000 2.488 135 A HA 0.059 4.379 4.320 -0.000 0.000 0.249 135 A C 1.075 178.694 177.584 0.058 0.000 1.083 135 A CA 0.183 52.202 52.037 -0.030 0.000 0.768 135 A CB 0.051 19.012 19.000 -0.066 0.000 1.017 135 A HN 0.676 nan 8.150 nan 0.000 0.496 136 S N 2.479 118.187 115.700 0.013 0.000 2.428 136 S HA -0.149 4.321 4.470 -0.000 0.000 0.230 136 S C 1.551 176.140 174.600 -0.019 0.000 1.014 136 S CA 1.117 59.334 58.200 0.028 0.000 0.957 136 S CB -0.662 62.500 63.200 -0.064 0.000 0.784 136 S HN 0.733 nan 8.310 nan 0.000 0.499 137 F N 3.281 123.143 119.950 -0.148 0.000 2.147 137 F HA -0.207 4.320 4.527 -0.000 0.000 0.301 137 F C 1.542 177.292 175.800 -0.084 0.000 1.084 137 F CA 2.058 59.987 58.000 -0.118 0.000 1.268 137 F CB -0.315 38.603 39.000 -0.137 0.000 1.009 137 F HN 0.167 nan 8.300 nan 0.000 0.486 138 D N -0.617 119.872 120.400 0.148 0.000 2.149 138 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 138 D C 2.286 178.555 176.300 -0.051 0.000 0.972 138 D CA 1.237 55.282 54.000 0.076 0.000 0.835 138 D CB -0.517 40.324 40.800 0.070 0.000 0.966 138 D HN 0.195 nan 8.370 nan 0.000 0.476 139 V N 0.456 120.293 119.914 -0.128 0.000 3.041 139 V HA 0.007 4.127 4.120 -0.000 0.000 0.260 139 V C 2.045 178.026 176.094 -0.189 0.000 1.105 139 V CA 1.387 63.547 62.300 -0.232 0.000 1.125 139 V CB -0.295 31.211 31.823 -0.528 0.000 0.730 139 V HN 0.210 nan 8.190 nan 0.000 0.479 140 A N -0.059 122.649 122.820 -0.187 0.000 1.973 140 A HA 0.089 4.409 4.320 -0.000 0.000 0.210 140 A C 1.656 179.130 177.584 -0.183 0.000 1.200 140 A CA 0.607 52.535 52.037 -0.183 0.000 0.707 140 A CB -0.021 18.851 19.000 -0.213 0.000 0.862 140 A HN 0.532 nan 8.150 nan 0.000 0.461 141 N N -0.587 117.966 118.700 -0.244 0.000 2.177 141 N HA 0.180 4.920 4.740 -0.000 0.000 0.218 141 N C 0.901 176.350 175.510 -0.101 0.000 1.182 141 N CA 0.702 53.625 53.050 -0.211 0.000 0.882 141 N CB 0.744 38.973 38.487 -0.429 0.000 1.052 141 N HN 0.496 nan 8.380 nan 0.000 0.519 142 G N 1.084 109.839 108.800 -0.074 0.000 2.321 142 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.287 142 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.287 142 G C 0.145 175.043 174.900 -0.002 0.000 1.018 142 G CA 1.547 46.627 45.100 -0.033 0.000 0.855 142 G HN 0.559 nan 8.290 nan 0.000 0.507 143 T N -1.895 112.677 114.554 0.029 0.000 2.749 143 T HA 0.645 4.995 4.350 -0.000 0.000 0.310 143 T C -0.016 174.789 174.700 0.174 0.000 1.496 143 T CA 0.744 62.888 62.100 0.073 0.000 1.006 143 T CB 1.152 70.048 68.868 0.047 0.000 1.457 143 T HN 1.453 nan 8.240 nan 0.000 0.497 144 S N 1.236 117.003 115.700 0.111 0.000 2.617 144 S HA 0.499 4.969 4.470 -0.000 0.000 0.283 144 S C 1.025 175.539 174.600 -0.144 0.000 1.189 144 S CA -0.576 57.658 58.200 0.058 0.000 1.036 144 S CB 0.895 64.123 63.200 0.046 0.000 1.014 144 S HN 0.697 nan 8.310 nan 0.000 0.522 145 F N 1.466 120.956 119.950 -0.768 0.000 2.126 145 F HA 0.001 4.528 4.527 -0.000 0.000 0.299 145 F C 1.479 176.818 175.800 -0.767 0.000 1.096 145 F CA 1.404 58.624 58.000 -1.300 0.000 1.255 145 F CB -0.293 37.656 39.000 -1.751 0.000 0.997 145 F HN 0.748 nan 8.300 nan 0.000 0.479 146 W N 0.091 121.227 121.300 -0.273 0.000 2.388 146 W HA -0.149 4.511 4.660 -0.000 0.000 0.294 146 W C 2.614 179.013 176.519 -0.201 0.000 1.212 146 W CA 0.674 57.879 57.345 -0.233 0.000 1.271 146 W CB -0.677 28.754 29.460 -0.047 0.000 1.126 146 W HN 0.078 nan 8.180 nan 0.000 0.535 147 Q N 1.153 120.996 119.800 0.071 0.000 2.002 147 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 147 Q C 2.082 178.075 176.000 -0.011 0.000 0.988 147 Q CA 2.011 57.852 55.803 0.065 0.000 0.843 147 Q CB -1.086 27.683 28.738 0.052 0.000 0.908 147 Q HN 0.245 nan 8.270 nan 0.000 0.420 148 L N 0.530 121.656 121.223 -0.162 0.000 1.978 148 L HA -0.227 4.113 4.340 -0.000 0.000 0.218 148 L C 2.316 179.010 176.870 -0.294 0.000 1.075 148 L CA 3.053 57.731 54.840 -0.270 0.000 0.767 148 L CB -1.583 40.208 42.059 -0.446 0.000 0.890 148 L HN 0.645 nan 8.230 nan 0.000 0.434 149 T N -4.017 110.275 114.554 -0.436 0.000 3.025 149 T HA -0.229 4.121 4.350 -0.000 0.000 0.270 149 T C 1.785 176.455 174.700 -0.050 0.000 1.126 149 T CA 1.359 63.276 62.100 -0.304 0.000 1.105 149 T CB -0.785 67.803 68.868 -0.465 0.000 0.884 149 T HN 0.690 nan 8.240 nan 0.000 0.522 150 H N 2.023 121.036 119.070 -0.094 0.000 2.384 150 H HA 0.068 4.624 4.556 -0.000 0.000 0.300 150 H C 2.173 177.485 175.328 -0.027 0.000 1.057 150 H CA 1.697 57.727 56.048 -0.030 0.000 1.370 150 H CB 0.027 29.782 29.762 -0.012 0.000 1.417 150 H HN 0.679 nan 8.280 nan 0.000 0.527 151 E N -0.387 119.646 120.200 -0.278 0.000 2.052 151 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 151 E C 0.294 176.802 176.600 -0.153 0.000 0.958 151 E CA 0.139 56.363 56.400 -0.294 0.000 0.835 151 E CB -0.615 28.978 29.700 -0.180 0.000 0.811 151 E HN 0.287 nan 8.360 nan 0.000 0.462 152 D N 3.636 123.973 120.400 -0.104 0.000 2.402 152 D HA -0.020 4.619 4.640 -0.000 0.000 0.268 152 D C -1.374 174.915 176.300 -0.018 0.000 1.294 152 D CA -1.611 52.360 54.000 -0.048 0.000 0.945 152 D CB 1.156 41.930 40.800 -0.043 0.000 1.112 152 D HN 0.003 nan 8.370 nan 0.000 0.517 153 P HA -0.083 nan 4.420 nan 0.000 0.233 153 P C 1.079 178.428 177.300 0.081 0.000 1.167 153 P CA 0.536 63.655 63.100 0.031 0.000 0.770 153 P CB 0.482 32.194 31.700 0.021 0.000 0.837 154 K N 0.304 120.769 120.400 0.109 0.000 2.166 154 K HA 0.066 4.386 4.320 -0.000 0.000 0.201 154 K C 2.131 178.890 176.600 0.264 0.000 1.052 154 K CA 0.802 57.189 56.287 0.167 0.000 0.969 154 K CB -0.311 32.288 32.500 0.165 0.000 0.761 154 K HN -0.117 nan 8.250 nan 0.000 0.459 155 A N 2.063 125.044 122.820 0.267 0.000 1.892 155 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 155 A C 2.160 179.895 177.584 0.252 0.000 1.188 155 A CA 1.686 53.917 52.037 0.324 0.000 0.631 155 A CB -0.636 18.302 19.000 -0.103 0.000 0.822 155 A HN 0.348 nan 8.150 nan 0.000 0.447 156 R N -0.573 120.006 120.500 0.131 0.000 2.115 156 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 156 R C 2.143 178.582 176.300 0.231 0.000 1.111 156 R CA 1.574 57.773 56.100 0.165 0.000 0.976 156 R CB -0.193 30.170 30.300 0.104 0.000 0.870 156 R HN 0.729 nan 8.270 nan 0.000 0.445 157 E N 0.424 120.744 120.200 0.199 0.000 2.122 157 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 157 E C 2.100 178.812 176.600 0.187 0.000 0.977 157 E CA 0.452 56.950 56.400 0.164 0.000 0.820 157 E CB 0.080 29.857 29.700 0.127 0.000 0.770 157 E HN 0.352 nan 8.360 nan 0.000 0.462 158 L N 0.339 121.735 121.223 0.288 0.000 2.012 158 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 158 L C 2.555 179.565 176.870 0.233 0.000 1.073 158 L CA 1.347 56.396 54.840 0.348 0.000 0.748 158 L CB -0.571 41.824 42.059 0.561 0.000 0.891 158 L HN 0.201 nan 8.230 nan 0.000 0.431 159 F N 1.574 121.595 119.950 0.119 0.000 2.075 159 F HA -0.208 4.319 4.527 0.000 0.000 0.297 159 F C 2.275 178.016 175.800 -0.098 0.000 1.113 159 F CA 1.748 59.636 58.000 -0.187 0.000 1.218 159 F CB -0.397 38.683 39.000 0.133 0.000 0.984 159 F HN 0.079 nan 8.300 nan 0.000 0.472 160 N N 0.345 118.991 118.700 -0.090 0.000 2.443 160 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 160 N C 1.821 177.233 175.510 -0.164 0.000 1.037 160 N CA 0.846 53.787 53.050 -0.181 0.000 0.896 160 N CB -0.320 38.194 38.487 0.046 0.000 0.959 160 N HN 0.396 nan 8.380 nan 0.000 0.442 161 R N 0.315 120.751 120.500 -0.106 0.000 2.066 161 R HA 0.224 4.564 4.340 -0.000 0.000 0.224 161 R C 1.032 177.261 176.300 -0.117 0.000 1.122 161 R CA 0.556 56.616 56.100 -0.066 0.000 0.974 161 R CB -0.128 30.175 30.300 0.005 0.000 0.871 161 R HN 0.117 nan 8.270 nan 0.000 0.435 165 S N 0.915 116.593 115.700 -0.036 0.000 2.355 165 S HA -0.025 4.445 4.470 -0.000 0.000 0.222 165 S C 2.225 176.828 174.600 0.006 0.000 1.031 165 S CA 1.762 59.956 58.200 -0.010 0.000 0.993 165 S CB -0.577 62.619 63.200 -0.007 0.000 0.859 165 S HN 0.289 nan 8.310 nan 0.000 0.453 166 V N 2.010 121.924 119.914 0.001 0.000 2.255 166 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 166 V C 3.036 179.168 176.094 0.064 0.000 1.051 166 V CA 2.189 64.508 62.300 0.032 0.000 1.018 166 V CB -1.298 30.535 31.823 0.018 0.000 0.641 166 V HN 0.692 nan 8.190 nan 0.000 0.445 167 S N -0.453 115.284 115.700 0.063 0.000 2.400 167 S HA -0.204 4.266 4.470 -0.000 0.000 0.232 167 S C 1.905 176.535 174.600 0.049 0.000 1.025 167 S CA 1.804 60.050 58.200 0.077 0.000 0.993 167 S CB -0.395 62.842 63.200 0.061 0.000 0.808 167 S HN 0.393 nan 8.310 nan 0.000 0.478 168 L N 1.961 123.204 121.223 0.032 0.000 2.083 168 L HA -0.019 4.321 4.340 -0.000 0.000 0.209 168 L C 2.597 179.485 176.870 0.030 0.000 1.083 168 L CA 2.553 57.408 54.840 0.025 0.000 0.752 168 L CB -1.378 40.690 42.059 0.016 0.000 0.899 168 L HN 0.609 nan 8.230 nan 0.000 0.433 169 T N -4.743 109.834 114.554 0.038 0.000 3.023 169 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 169 T C 1.575 176.307 174.700 0.052 0.000 1.093 169 T CA 1.009 63.134 62.100 0.042 0.000 1.129 169 T CB -0.298 68.597 68.868 0.044 0.000 0.899 169 T HN 0.451 nan 8.240 nan 0.000 0.491 170 E N 0.940 121.178 120.200 0.063 0.000 2.385 170 E HA 0.338 4.688 4.350 -0.000 0.000 0.194 170 E C 2.442 179.072 176.600 0.050 0.000 1.013 170 E CA 0.374 56.814 56.400 0.066 0.000 0.866 170 E CB -0.127 29.626 29.700 0.089 0.000 0.832 170 E HN 0.631 nan 8.360 nan 0.000 0.500 171 A N 1.355 124.201 122.820 0.042 0.000 1.851 171 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 171 A C 2.421 180.030 177.584 0.043 0.000 1.195 171 A CA 1.935 53.991 52.037 0.032 0.000 0.622 171 A CB -1.366 17.646 19.000 0.020 0.000 0.831 171 A HN 0.369 nan 8.150 nan 0.000 0.444 172 G N -1.416 107.408 108.800 0.039 0.000 2.432 172 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.219 172 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.219 172 G C 1.597 176.537 174.900 0.066 0.000 1.135 172 G CA 1.112 46.238 45.100 0.043 0.000 0.767 172 G HN 0.632 nan 8.290 nan 0.000 0.550 173 Q N -0.515 119.325 119.800 0.067 0.000 2.172 173 Q HA 0.057 4.396 4.340 -0.000 0.000 0.200 173 Q C 2.779 178.845 176.000 0.110 0.000 0.964 173 Q CA 0.794 56.643 55.803 0.078 0.000 0.855 173 Q CB 0.005 28.782 28.738 0.065 0.000 0.918 173 Q HN 0.369 nan 8.270 nan 0.000 0.444 174 V N 0.496 120.480 119.914 0.117 0.000 2.379 174 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 174 V C 2.157 178.441 176.094 0.317 0.000 1.044 174 V CA 1.625 64.029 62.300 0.173 0.000 1.036 174 V CB -0.819 31.079 31.823 0.125 0.000 0.664 174 V HN 0.397 nan 8.190 nan 0.000 0.453 175 A N -0.056 122.919 122.820 0.259 0.000 1.978 175 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 175 A C 2.128 179.945 177.584 0.390 0.000 1.170 175 A CA 2.078 54.322 52.037 0.345 0.000 0.636 175 A CB -0.462 18.627 19.000 0.148 0.000 0.810 175 A HN 0.617 nan 8.150 nan 0.000 0.448 176 A N -1.832 121.129 122.820 0.236 0.000 2.348 176 A HA 0.636 4.956 4.320 -0.000 0.000 0.224 176 A C 1.642 179.324 177.584 0.163 0.000 1.227 176 A CA 0.914 53.054 52.037 0.172 0.000 0.885 176 A CB -0.208 18.847 19.000 0.092 0.000 0.933 176 A HN 0.932 nan 8.150 nan 0.000 0.506 177 A N -1.845 121.095 122.820 0.200 0.000 2.382 177 A HA 0.521 4.841 4.320 -0.000 0.000 0.228 177 A C 0.025 177.712 177.584 0.173 0.000 1.217 177 A CA 0.106 52.233 52.037 0.151 0.000 0.923 177 A CB 0.094 19.168 19.000 0.124 0.000 0.979 177 A HN 0.439 nan 8.150 nan 0.000 0.515 178 Y N -0.180 120.136 120.300 0.027 0.000 2.477 178 Y HA 0.515 5.065 4.550 -0.000 0.000 0.347 178 Y C -1.534 174.194 175.900 -0.288 0.000 0.981 178 Y CA -1.606 56.361 58.100 -0.222 0.000 1.033 178 Y CB 1.599 39.789 38.460 -0.450 0.000 1.245 178 Y HN 0.065 nan 8.280 nan 0.000 0.455 179 D N 4.904 124.737 120.400 -0.944 0.000 2.428 179 D HA 0.155 4.795 4.640 -0.000 0.000 0.221 179 D C -0.216 175.520 176.300 -0.940 0.000 1.123 179 D CA 0.145 53.777 54.000 -0.615 0.000 0.869 179 D CB 0.122 40.674 40.800 -0.413 0.000 1.032 179 D HN 0.546 nan 8.370 nan 0.000 0.506 180 F N 0.995 120.361 119.950 -0.974 0.000 2.765 180 F HA -0.043 4.484 4.527 -0.000 0.000 0.302 180 F C 2.585 177.908 175.800 -0.795 0.000 1.111 180 F CA -0.064 57.380 58.000 -0.927 0.000 1.359 180 F CB -0.002 38.342 39.000 -1.093 0.000 1.097 180 F HN 0.310 nan 8.300 nan 0.000 0.577 181 S N 0.006 115.387 115.700 -0.533 0.000 2.387 181 S HA -0.181 4.289 4.470 -0.000 0.000 0.230 181 S C 2.209 176.768 174.600 -0.067 0.000 1.035 181 S CA 1.355 59.495 58.200 -0.100 0.000 1.014 181 S CB -1.231 62.031 63.200 0.104 0.000 0.836 181 S HN 0.358 nan 8.310 nan 0.000 0.466 182 G N 0.797 109.530 108.800 -0.112 0.000 3.061 182 G HA2 0.530 4.489 3.960 -0.000 0.000 0.208 182 G HA3 0.530 4.489 3.960 -0.000 0.000 0.208 182 G C 0.189 175.058 174.900 -0.051 0.000 1.175 182 G CA 0.211 45.269 45.100 -0.070 0.000 0.812 182 G HN 0.878 nan 8.290 nan 0.000 0.523 183 A N -1.402 121.389 122.820 -0.049 0.000 2.350 183 A HA 0.865 5.185 4.320 -0.000 0.000 0.318 183 A C 0.729 178.309 177.584 -0.007 0.000 1.132 183 A CA 0.136 52.163 52.037 -0.016 0.000 0.811 183 A CB 1.669 20.678 19.000 0.016 0.000 1.313 183 A HN 0.627 nan 8.150 nan 0.000 0.454 184 A N -0.398 122.417 122.820 -0.007 0.000 2.066 184 A HA 0.512 4.832 4.320 -0.000 0.000 0.198 184 A C 0.685 178.255 177.584 -0.022 0.000 1.405 184 A CA 1.022 53.054 52.037 -0.008 0.000 0.973 184 A CB 0.186 19.181 19.000 -0.008 0.000 1.026 184 A HN 0.722 nan 8.150 nan 0.000 0.474 185 T N 0.599 115.130 114.554 -0.038 0.000 2.848 185 T HA 0.678 5.028 4.350 -0.000 0.000 0.285 185 T C -0.668 173.968 174.700 -0.107 0.000 0.995 185 T CA 0.188 62.245 62.100 -0.072 0.000 0.970 185 T CB 1.570 70.389 68.868 -0.083 0.000 0.976 185 T HN 0.671 nan 8.240 nan 0.000 0.441 186 A N 2.290 125.034 122.820 -0.127 0.000 2.386 186 A HA 0.840 5.160 4.320 -0.000 0.000 0.311 186 A C -1.043 176.417 177.584 -0.207 0.000 1.068 186 A CA -0.686 51.258 52.037 -0.154 0.000 0.743 186 A CB 1.451 20.384 19.000 -0.111 0.000 1.258 186 A HN 0.660 nan 8.150 nan 0.000 0.429 187 V N 2.826 122.574 119.914 -0.276 0.000 2.398 187 V HA 0.222 4.342 4.120 -0.000 0.000 0.282 187 V C -0.886 175.160 176.094 -0.081 0.000 1.014 187 V CA -0.619 61.545 62.300 -0.227 0.000 0.838 187 V CB 1.373 32.950 31.823 -0.409 0.000 1.018 187 V HN 0.936 nan 8.190 nan 0.000 0.432 188 D N 4.808 125.182 120.400 -0.043 0.000 2.338 188 D HA 0.237 4.877 4.640 -0.000 0.000 0.255 188 D C 0.000 176.323 176.300 0.038 0.000 1.237 188 D CA 0.043 54.041 54.000 -0.003 0.000 0.883 188 D CB 0.840 41.631 40.800 -0.015 0.000 1.087 188 D HN 0.472 nan 8.370 nan 0.000 0.485 189 I N 3.232 123.838 120.570 0.061 0.000 2.281 189 I HA 0.242 4.412 4.170 -0.000 0.000 0.293 189 I C 1.337 177.537 176.117 0.137 0.000 1.085 189 I CA -0.411 60.947 61.300 0.097 0.000 1.257 189 I CB 0.814 38.844 38.000 0.051 0.000 1.430 189 I HN 0.634 nan 8.210 nan 0.000 0.489 190 G N 4.352 113.259 108.800 0.178 0.000 2.289 190 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.280 190 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.280 190 G C 0.812 175.792 174.900 0.133 0.000 1.089 190 G CA 0.048 45.263 45.100 0.193 0.000 0.939 190 G HN 0.931 nan 8.290 nan 0.000 0.499 191 G N -0.458 108.394 108.800 0.086 0.000 2.882 191 G HA2 0.481 4.441 3.960 -0.000 0.000 0.206 191 G HA3 0.481 4.441 3.960 -0.000 0.000 0.206 191 G C 1.803 176.743 174.900 0.067 0.000 1.155 191 G CA 1.417 46.554 45.100 0.061 0.000 0.800 191 G HN 2.088 nan 8.290 nan 0.000 0.524 192 G N 0.778 109.633 108.800 0.092 0.000 2.629 192 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.313 192 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.313 192 G C 1.046 175.983 174.900 0.061 0.000 1.217 192 G CA 0.477 45.633 45.100 0.093 0.000 0.994 192 G HN 0.496 nan 8.290 nan 0.000 0.549 193 R N 1.973 122.499 120.500 0.042 0.000 2.320 193 R HA 0.377 4.717 4.340 -0.000 0.000 0.211 193 R C 1.859 178.172 176.300 0.021 0.000 0.931 193 R CA 1.016 57.134 56.100 0.030 0.000 1.071 193 R CB -0.200 30.111 30.300 0.020 0.000 1.025 193 R HN 1.913 nan 8.270 nan 0.000 0.495 194 G N 0.964 109.777 108.800 0.021 0.000 2.147 194 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 194 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 194 G C 0.907 175.808 174.900 0.002 0.000 1.005 194 G CA 0.658 45.764 45.100 0.010 0.000 0.713 194 G HN 0.472 nan 8.290 nan 0.000 0.515 195 S N -1.320 114.385 115.700 0.008 0.000 2.402 195 S HA 0.258 4.728 4.470 -0.000 0.000 0.229 195 S C 1.597 176.196 174.600 -0.001 0.000 1.021 195 S CA 1.199 59.402 58.200 0.004 0.000 0.974 195 S CB 0.111 63.318 63.200 0.011 0.000 0.800 195 S HN 1.418 nan 8.310 nan 0.000 0.484 199 A N 0.148 122.950 122.820 -0.030 0.000 1.978 199 A HA 0.113 4.433 4.320 -0.000 0.000 0.220 199 A C 1.919 179.483 177.584 -0.034 0.000 1.170 199 A CA 2.318 54.340 52.037 -0.024 0.000 0.636 199 A CB -0.561 18.436 19.000 -0.006 0.000 0.810 199 A HN 0.897 nan 8.150 nan 0.000 0.448 200 V N -0.511 119.364 119.914 -0.066 0.000 2.992 200 V HA -0.045 4.075 4.120 -0.000 0.000 0.250 200 V C 2.346 178.428 176.094 -0.020 0.000 1.090 200 V CA 1.017 63.262 62.300 -0.092 0.000 1.101 200 V CB -0.367 31.223 31.823 -0.389 0.000 0.743 200 V HN 0.536 nan 8.190 nan 0.000 0.468 201 L N -0.295 120.900 121.223 -0.046 0.000 2.093 201 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 201 L C 2.310 179.176 176.870 -0.006 0.000 1.085 201 L CA 1.378 56.211 54.840 -0.011 0.000 0.755 201 L CB -0.662 41.381 42.059 -0.027 0.000 0.904 201 L HN 0.300 nan 8.230 nan 0.000 0.435 202 D N 0.525 120.907 120.400 -0.030 0.000 2.104 202 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 202 D C 2.166 178.410 176.300 -0.094 0.000 0.994 202 D CA 1.701 55.672 54.000 -0.048 0.000 0.830 202 D CB 0.006 40.777 40.800 -0.048 0.000 0.959 202 D HN 0.314 nan 8.370 nan 0.000 0.452 203 A N -0.817 121.914 122.820 -0.148 0.000 2.067 203 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 203 A C 0.324 177.517 177.584 -0.652 0.000 1.156 203 A CA 0.448 52.248 52.037 -0.395 0.000 0.683 203 A CB -0.042 18.681 19.000 -0.462 0.000 0.808 203 A HN 0.132 nan 8.150 nan 0.000 0.455 204 F N -1.156 118.788 119.950 -0.011 0.000 2.676 204 F HA 0.379 4.906 4.527 -0.000 0.000 0.371 204 F C -2.145 173.649 175.800 -0.010 0.000 1.141 204 F CA -2.089 55.915 58.000 0.007 0.000 1.133 204 F CB 1.673 40.694 39.000 0.034 0.000 1.376 204 F HN -0.041 nan 8.300 nan 0.000 0.491 205 P HA -0.090 nan 4.420 nan 0.000 0.218 205 P C 1.865 179.206 177.300 0.067 0.000 1.149 205 P CA 1.244 64.380 63.100 0.060 0.000 0.817 205 P CB 0.329 32.047 31.700 0.030 0.000 0.785 206 G N -0.343 108.513 108.800 0.093 0.000 2.422 206 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.218 206 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.218 206 G C 0.549 175.480 174.900 0.051 0.000 1.146 206 G CA 0.102 45.242 45.100 0.066 0.000 0.769 206 G HN 0.226 nan 8.290 nan 0.000 0.547 207 L N 0.781 122.047 121.223 0.072 0.000 2.461 207 L HA 0.381 4.721 4.340 -0.000 0.000 0.272 207 L C 0.266 177.140 176.870 0.007 0.000 1.197 207 L CA 0.073 54.933 54.840 0.033 0.000 0.836 207 L CB 0.663 42.743 42.059 0.034 0.000 1.105 207 L HN 0.096 nan 8.230 nan 0.000 0.477 208 R N 3.369 123.859 120.500 -0.016 0.000 2.575 208 R HA 0.589 4.929 4.340 -0.000 0.000 0.293 208 R C -0.377 175.895 176.300 -0.048 0.000 0.983 208 R CA -0.656 55.428 56.100 -0.026 0.000 0.887 208 R CB 1.697 31.984 30.300 -0.021 0.000 1.184 208 R HN 0.852 nan 8.270 nan 0.000 0.445 209 G N 0.466 109.235 108.800 -0.051 0.000 2.521 209 G HA2 0.577 4.537 3.960 -0.000 0.000 0.323 209 G HA3 0.577 4.537 3.960 -0.000 0.000 0.323 209 G C -0.842 174.022 174.900 -0.060 0.000 1.211 209 G CA -0.286 44.774 45.100 -0.067 0.000 0.979 209 G HN 0.355 nan 8.290 nan 0.000 0.490 210 T N 0.249 114.762 114.554 -0.068 0.000 3.109 210 T HA 0.355 4.705 4.350 -0.000 0.000 0.311 210 T C -0.949 173.726 174.700 -0.041 0.000 1.011 210 T CA -0.290 61.779 62.100 -0.052 0.000 1.026 210 T CB 1.454 70.285 68.868 -0.062 0.000 1.047 210 T HN 0.436 nan 8.240 nan 0.000 0.448 211 L N 4.123 125.333 121.223 -0.021 0.000 2.296 211 L HA 0.721 5.061 4.340 -0.000 0.000 0.286 211 L C -1.144 175.731 176.870 0.008 0.000 1.023 211 L CA -0.952 53.884 54.840 -0.006 0.000 0.812 211 L CB 0.897 42.954 42.059 -0.002 0.000 1.223 211 L HN 0.510 nan 8.230 nan 0.000 0.421 212 L N 5.355 126.593 121.223 0.025 0.000 2.272 212 L HA 0.612 4.952 4.340 -0.000 0.000 0.289 212 L C -0.649 176.240 176.870 0.032 0.000 1.032 212 L CA 0.411 55.271 54.840 0.033 0.000 0.810 212 L CB 0.940 43.038 42.059 0.064 0.000 1.205 212 L HN 0.603 nan 8.230 nan 0.000 0.422 213 E N 3.265 123.464 120.200 -0.002 0.000 2.430 213 E HA 0.366 4.715 4.350 -0.000 0.000 0.279 213 E C -1.017 175.545 176.600 -0.064 0.000 1.003 213 E CA -0.901 55.487 56.400 -0.021 0.000 0.801 213 E CB 1.993 31.702 29.700 0.015 0.000 1.313 213 E HN 0.505 nan 8.360 nan 0.000 0.459 214 R N 1.498 121.942 120.500 -0.093 0.000 2.640 214 R HA 0.040 4.380 4.340 -0.000 0.000 0.270 214 R C -1.502 174.788 176.300 -0.015 0.000 1.024 214 R CA -0.956 55.091 56.100 -0.089 0.000 1.085 214 R CB -0.034 30.212 30.300 -0.090 0.000 0.963 214 R HN 0.189 nan 8.270 nan 0.000 0.426 215 P HA -0.223 nan 4.420 nan 0.000 0.216 215 P C -1.503 175.825 177.300 0.047 0.000 1.167 215 P CA 1.914 65.029 63.100 0.026 0.000 0.933 215 P CB -0.720 31.008 31.700 0.045 0.000 0.793 216 P HA -0.113 nan 4.420 nan 0.000 0.215 216 P C 1.626 178.965 177.300 0.065 0.000 1.157 216 P CA 1.206 64.349 63.100 0.071 0.000 0.868 216 P CB -0.604 31.150 31.700 0.090 0.000 0.788 217 V N 0.125 120.085 119.914 0.076 0.000 2.407 217 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 217 V C 2.509 178.635 176.094 0.054 0.000 1.055 217 V CA 1.987 64.335 62.300 0.079 0.000 1.049 217 V CB -1.876 30.008 31.823 0.103 0.000 0.662 217 V HN 0.101 nan 8.190 nan 0.000 0.455 218 A N 0.009 122.852 122.820 0.038 0.000 1.917 218 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 218 A C 2.206 179.805 177.584 0.025 0.000 1.182 218 A CA 1.859 53.911 52.037 0.026 0.000 0.633 218 A CB -0.425 18.584 19.000 0.015 0.000 0.819 218 A HN 0.534 nan 8.150 nan 0.000 0.448 219 E N 0.130 120.347 120.200 0.028 0.000 2.150 219 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 219 E C 1.859 178.475 176.600 0.026 0.000 0.985 219 E CA 1.265 57.680 56.400 0.025 0.000 0.814 219 E CB -0.395 29.320 29.700 0.025 0.000 0.752 219 E HN 0.809 nan 8.360 nan 0.000 0.466 220 E N 1.002 121.223 120.200 0.034 0.000 2.106 220 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 220 E C 2.091 178.708 176.600 0.027 0.000 0.984 220 E CA 0.944 57.364 56.400 0.034 0.000 0.806 220 E CB -0.116 29.611 29.700 0.045 0.000 0.750 220 E HN 0.186 nan 8.360 nan 0.000 0.458 221 A N 2.014 124.850 122.820 0.027 0.000 1.877 221 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 221 A C 2.166 179.758 177.584 0.013 0.000 1.186 221 A CA 1.556 53.605 52.037 0.020 0.000 0.620 221 A CB -0.539 18.474 19.000 0.021 0.000 0.822 221 A HN 0.106 nan 8.150 nan 0.000 0.443 222 R N -0.121 120.387 120.500 0.013 0.000 2.103 222 R HA -0.225 4.115 4.340 -0.000 0.000 0.242 222 R C 2.179 178.484 176.300 0.009 0.000 1.142 222 R CA 1.991 58.096 56.100 0.009 0.000 0.960 222 R CB -0.338 29.967 30.300 0.009 0.000 0.858 222 R HN 0.744 nan 8.270 nan 0.000 0.439 223 E N 0.532 120.739 120.200 0.012 0.000 2.031 223 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 223 E C 2.174 178.780 176.600 0.009 0.000 0.994 223 E CA 1.465 57.871 56.400 0.011 0.000 0.800 223 E CB -0.209 29.500 29.700 0.015 0.000 0.752 223 E HN 0.433 nan 8.360 nan 0.000 0.447 224 L N 0.676 121.905 121.223 0.010 0.000 2.012 224 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 224 L C 2.408 179.280 176.870 0.004 0.000 1.073 224 L CA 1.302 56.146 54.840 0.008 0.000 0.748 224 L CB -0.158 41.907 42.059 0.009 0.000 0.891 224 L HN 0.221 nan 8.230 nan 0.000 0.431 225 L N -0.905 120.319 121.223 0.002 0.000 2.072 225 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 225 L C 2.482 179.351 176.870 -0.002 0.000 1.079 225 L CA 1.568 56.407 54.840 -0.002 0.000 0.752 225 L CB -0.766 41.291 42.059 -0.004 0.000 0.906 225 L HN 0.255 nan 8.230 nan 0.000 0.436 226 T N -0.386 114.169 114.554 0.001 0.000 2.788 226 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 226 T C 1.806 176.506 174.700 0.001 0.000 1.044 226 T CA 1.346 63.446 62.100 0.001 0.000 1.139 226 T CB -0.560 68.309 68.868 0.003 0.000 0.867 226 T HN 0.559 nan 8.240 nan 0.000 0.454 227 G N 1.238 110.039 108.800 0.002 0.000 2.498 227 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 227 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 227 G C 1.593 176.492 174.900 -0.000 0.000 1.119 227 G CA 0.180 45.281 45.100 0.002 0.000 0.766 227 G HN 0.321 nan 8.290 nan 0.000 0.552 228 R N -0.081 120.418 120.500 -0.002 0.000 2.334 228 R HA 0.161 4.501 4.340 -0.000 0.000 0.216 228 R C 1.564 177.861 176.300 -0.006 0.000 0.905 228 R CA 0.398 56.495 56.100 -0.005 0.000 1.064 228 R CB -0.191 30.105 30.300 -0.007 0.000 1.046 228 R HN 0.338 nan 8.270 nan 0.000 0.508 229 G N 1.768 110.566 108.800 -0.004 0.000 2.246 229 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.273 229 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.273 229 G C 0.310 175.207 174.900 -0.006 0.000 1.055 229 G CA 0.232 45.329 45.100 -0.004 0.000 0.851 229 G HN 0.357 nan 8.290 nan 0.000 0.500 230 L N -0.907 120.312 121.223 -0.007 0.000 3.168 230 L HA 0.479 4.819 4.340 -0.000 0.000 0.277 230 L C 2.269 179.135 176.870 -0.008 0.000 1.245 230 L CA 0.356 55.191 54.840 -0.009 0.000 1.035 230 L CB 0.294 42.346 42.059 -0.012 0.000 1.399 230 L HN 0.271 nan 8.230 nan 0.000 0.580 231 A N 0.709 123.526 122.820 -0.005 0.000 2.015 231 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 231 A C 1.699 179.280 177.584 -0.005 0.000 1.163 231 A CA 2.039 54.073 52.037 -0.004 0.000 0.646 231 A CB -0.221 18.778 19.000 -0.002 0.000 0.806 231 A HN 0.592 nan 8.150 nan 0.000 0.448 232 D N -1.490 118.907 120.400 -0.005 0.000 2.474 232 D HA -0.010 4.630 4.640 -0.000 0.000 0.213 232 D C 1.378 177.673 176.300 -0.008 0.000 1.120 232 D CA 0.270 54.267 54.000 -0.006 0.000 0.836 232 D CB -0.381 40.417 40.800 -0.004 0.000 1.019 232 D HN 0.565 nan 8.370 nan 0.000 0.507 233 R N -0.712 119.783 120.500 -0.009 0.000 2.334 233 R HA 0.350 4.690 4.340 -0.000 0.000 0.216 233 R C -0.254 176.037 176.300 -0.016 0.000 0.905 233 R CA -0.345 55.749 56.100 -0.010 0.000 1.064 233 R CB -0.284 30.012 30.300 -0.007 0.000 1.046 233 R HN 0.135 nan 8.270 nan 0.000 0.508 234 C N 2.350 121.640 119.300 -0.017 0.000 2.407 234 C HA 0.302 4.762 4.460 -0.000 0.000 0.328 234 C C -0.184 174.796 174.990 -0.018 0.000 1.137 234 C CA -0.826 58.179 59.018 -0.022 0.000 1.390 234 C CB 0.807 28.532 27.740 -0.024 0.000 1.989 234 C HN 0.657 nan 8.230 nan 0.000 0.432 235 E N 5.069 125.257 120.200 -0.020 0.000 2.373 235 E HA 0.307 4.657 4.350 -0.000 0.000 0.267 235 E C -0.489 176.103 176.600 -0.013 0.000 1.032 235 E CA -0.219 56.172 56.400 -0.015 0.000 0.889 235 E CB 0.612 30.302 29.700 -0.016 0.000 0.984 235 E HN 0.627 nan 8.360 nan 0.000 0.425 236 I N 4.583 125.149 120.570 -0.007 0.000 2.392 236 I HA 0.248 4.417 4.170 -0.000 0.000 0.295 236 I C -0.413 175.703 176.117 -0.002 0.000 0.985 236 I CA -0.698 60.600 61.300 -0.003 0.000 1.221 236 I CB 1.174 39.175 38.000 0.002 0.000 1.366 236 I HN 0.549 nan 8.210 nan 0.000 0.467 237 L N 9.303 130.525 121.223 -0.000 0.000 2.492 237 L HA 0.561 4.901 4.340 -0.000 0.000 0.258 237 L C -2.603 174.266 176.870 -0.002 0.000 1.028 237 L CA -1.444 53.396 54.840 -0.000 0.000 0.900 237 L CB 1.414 43.473 42.059 0.001 0.000 1.191 237 L HN 0.236 nan 8.230 nan 0.000 0.459 238 P HA 0.560 nan 4.420 nan 0.000 0.267 238 P C 0.041 177.329 177.300 -0.020 0.000 1.200 238 P CA 0.140 63.234 63.100 -0.010 0.000 0.772 238 P CB 1.000 32.698 31.700 -0.003 0.000 0.855 239 G N 0.692 109.466 108.800 -0.043 0.000 2.345 239 G HA2 0.348 4.308 3.960 -0.000 0.000 0.285 239 G HA3 0.348 4.308 3.960 -0.000 0.000 0.285 239 G C -2.159 172.674 174.900 -0.112 0.000 1.297 239 G CA -0.478 44.589 45.100 -0.055 0.000 0.875 239 G HN 0.523 nan 8.290 nan 0.000 0.506 240 D N -0.576 119.761 120.400 -0.106 0.000 2.696 240 D HA 0.542 5.182 4.640 -0.000 0.000 0.251 240 D C 1.080 177.326 176.300 -0.090 0.000 1.188 240 D CA -0.854 53.036 54.000 -0.184 0.000 0.876 240 D CB 1.177 41.905 40.800 -0.120 0.000 1.334 240 D HN 0.334 nan 8.370 nan 0.000 0.540 241 F N 2.509 122.393 119.950 -0.109 0.000 2.456 241 F HA 0.199 4.725 4.527 -0.000 0.000 0.298 241 F C 1.171 176.830 175.800 -0.235 0.000 1.104 241 F CA -0.087 57.805 58.000 -0.179 0.000 1.435 241 F CB -1.051 37.804 39.000 -0.242 0.000 1.078 241 F HN 0.177 nan 8.300 nan 0.000 0.546 242 F N 1.251 121.383 119.950 0.304 0.000 2.699 242 F HA 0.066 4.593 4.527 -0.000 0.000 0.298 242 F C 2.274 178.070 175.800 -0.005 0.000 1.154 242 F CA 0.868 58.914 58.000 0.078 0.000 1.457 242 F CB -0.381 38.587 39.000 -0.054 0.000 1.106 242 F HN 0.295 nan 8.300 nan 0.000 0.585 243 E N -0.582 119.710 120.200 0.154 0.000 2.290 243 E HA 0.072 4.422 4.350 -0.000 0.000 0.195 243 E C 0.023 176.652 176.600 0.048 0.000 0.938 243 E CA 0.757 57.201 56.400 0.074 0.000 1.018 243 E CB 0.423 30.141 29.700 0.031 0.000 1.042 243 E HN 0.150 nan 8.360 nan 0.000 0.483 244 T N -0.614 113.966 114.554 0.042 0.000 2.956 244 T HA 0.614 4.964 4.350 -0.000 0.000 0.312 244 T C -0.608 174.121 174.700 0.049 0.000 1.151 244 T CA -0.834 61.287 62.100 0.035 0.000 1.024 244 T CB 1.447 70.329 68.868 0.024 0.000 1.140 244 T HN 0.127 nan 8.240 nan 0.000 0.473 245 I N 2.656 123.256 120.570 0.051 0.000 2.436 245 I HA 0.405 4.575 4.170 -0.000 0.000 0.289 245 I C -2.457 173.734 176.117 0.124 0.000 1.010 245 I CA -2.877 58.477 61.300 0.090 0.000 1.098 245 I CB 2.366 40.401 38.000 0.058 0.000 1.266 245 I HN 0.435 nan 8.210 nan 0.000 0.434 246 P HA -0.040 nan 4.420 nan 0.000 0.256 246 P C -1.244 176.175 177.300 0.198 0.000 1.173 246 P CA 0.096 63.261 63.100 0.108 0.000 0.768 246 P CB -0.050 31.678 31.700 0.046 0.000 0.758 247 D N 2.163 122.646 120.400 0.139 0.000 2.210 247 D HA 0.457 5.097 4.640 -0.000 0.000 0.249 247 D C 1.266 177.642 176.300 0.127 0.000 1.078 247 D CA -0.727 53.374 54.000 0.168 0.000 0.875 247 D CB 1.048 41.899 40.800 0.086 0.000 1.175 247 D HN 0.563 nan 8.370 nan 0.000 0.440 248 G N 0.410 109.313 108.800 0.171 0.000 2.336 248 G HA2 0.039 3.999 3.960 -0.000 0.000 0.194 248 G HA3 0.039 3.999 3.960 -0.000 0.000 0.194 248 G C 0.425 175.352 174.900 0.046 0.000 0.999 248 G CA 0.009 45.161 45.100 0.086 0.000 0.669 248 G HN 0.938 nan 8.290 nan 0.000 0.482 249 A N 0.543 123.340 122.820 -0.037 0.000 2.429 249 A HA 0.513 4.833 4.320 -0.000 0.000 0.242 249 A C 1.224 178.767 177.584 -0.068 0.000 1.088 249 A CA 1.035 52.961 52.037 -0.185 0.000 0.784 249 A CB 0.246 18.921 19.000 -0.542 0.000 1.038 249 A HN 0.112 nan 8.150 nan 0.000 0.501 250 D N -0.972 119.389 120.400 -0.065 0.000 2.149 250 D HA 0.041 4.681 4.640 -0.000 0.000 0.201 250 D C 0.291 176.615 176.300 0.039 0.000 0.972 250 D CA 1.855 55.856 54.000 0.002 0.000 0.835 250 D CB 0.229 41.029 40.800 -0.001 0.000 0.966 250 D HN 0.324 nan 8.370 nan 0.000 0.476 251 V N 0.655 120.564 119.914 -0.009 0.000 2.610 251 V HA 0.263 4.383 4.120 -0.000 0.000 0.298 251 V C -1.721 174.360 176.094 -0.022 0.000 1.067 251 V CA -0.799 61.542 62.300 0.068 0.000 0.894 251 V CB 0.787 32.704 31.823 0.157 0.000 1.015 251 V HN -0.057 nan 8.190 nan 0.000 0.432 252 Y N 6.227 126.518 120.300 -0.015 0.000 2.299 252 Y HA 0.706 5.256 4.550 0.000 0.000 0.326 252 Y C 0.125 175.991 175.900 -0.056 0.000 1.164 252 Y CA -0.482 57.596 58.100 -0.036 0.000 1.234 252 Y CB 1.619 40.044 38.460 -0.058 0.000 1.219 252 Y HN 0.530 nan 8.280 nan 0.000 0.497 253 L N 3.735 125.006 121.223 0.081 0.000 2.319 253 L HA 0.627 4.967 4.340 -0.000 0.000 0.267 253 L C -0.875 175.986 176.870 -0.014 0.000 1.011 253 L CA -0.809 54.035 54.840 0.006 0.000 0.818 253 L CB 2.147 44.202 42.059 -0.008 0.000 1.316 253 L HN 0.605 nan 8.230 nan 0.000 0.432 254 I N 1.459 121.987 120.570 -0.070 0.000 2.630 254 I HA 0.272 4.442 4.170 -0.000 0.000 0.279 254 I C -1.452 174.590 176.117 -0.124 0.000 1.235 254 I CA -0.372 60.878 61.300 -0.084 0.000 1.096 254 I CB 0.794 38.720 38.000 -0.123 0.000 1.318 254 I HN 0.576 nan 8.210 nan 0.000 0.457 255 K N 6.413 126.755 120.400 -0.096 0.000 2.265 255 K HA 0.428 4.748 4.320 -0.000 0.000 0.267 255 K C -0.141 176.407 176.600 -0.087 0.000 0.994 255 K CA -0.340 55.834 56.287 -0.187 0.000 0.860 255 K CB 0.474 32.872 32.500 -0.170 0.000 1.099 255 K HN 0.662 nan 8.250 nan 0.000 0.448 256 H N 1.311 120.306 119.070 -0.126 0.000 2.791 256 H HA -0.151 4.405 4.556 -0.000 0.000 0.302 256 H C 0.326 175.619 175.328 -0.058 0.000 1.198 256 H CA 0.782 56.681 56.048 -0.248 0.000 1.145 256 H CB -1.671 28.101 29.762 0.016 0.000 1.385 256 H HN 0.368 nan 8.280 nan 0.000 0.409 257 V N -0.654 119.306 119.914 0.076 0.000 3.090 257 V HA 0.008 4.128 4.120 -0.000 0.000 0.237 257 V C 2.508 178.827 176.094 0.375 0.000 1.209 257 V CA 0.679 63.145 62.300 0.276 0.000 1.209 257 V CB 0.088 32.010 31.823 0.166 0.000 0.971 257 V HN 0.243 nan 8.190 nan 0.000 0.477 258 L N 1.207 122.565 121.223 0.224 0.000 2.141 258 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 258 L C 2.439 179.594 176.870 0.475 0.000 1.094 258 L CA 1.993 57.041 54.840 0.346 0.000 0.763 258 L CB -0.770 41.468 42.059 0.298 0.000 0.908 258 L HN 0.688 nan 8.230 nan 0.000 0.437 259 H N -2.379 116.893 119.070 0.336 0.000 2.563 259 H HA -0.052 4.503 4.556 -0.000 0.000 0.272 259 H C 0.757 176.164 175.328 0.133 0.000 1.005 259 H CA 0.181 56.365 56.048 0.226 0.000 1.171 259 H CB -0.076 29.820 29.762 0.222 0.000 1.351 259 H HN 0.315 nan 8.280 nan 0.000 0.602 260 D N 0.269 120.908 120.400 0.399 0.000 2.333 260 D HA -0.004 4.636 4.640 -0.000 0.000 0.208 260 D C -0.269 175.877 176.300 -0.257 0.000 0.984 260 D CA 0.456 54.434 54.000 -0.038 0.000 0.873 260 D CB 0.140 40.888 40.800 -0.087 0.000 0.935 260 D HN 0.445 nan 8.370 nan 0.000 0.521 261 W N 1.794 123.237 121.300 0.238 0.000 2.706 261 W HA 0.236 4.896 4.660 -0.001 0.000 0.346 261 W C 0.229 176.828 176.519 0.134 0.000 1.071 261 W CA -1.188 56.286 57.345 0.214 0.000 1.206 261 W CB 0.825 30.428 29.460 0.239 0.000 1.413 261 W HN -0.246 nan 8.180 nan 0.000 0.542 262 D N -0.091 120.532 120.400 0.372 0.000 2.398 262 D HA 0.010 4.650 4.640 -0.000 0.000 0.247 262 D C 0.765 177.178 176.300 0.188 0.000 1.227 262 D CA -0.057 54.067 54.000 0.207 0.000 0.980 262 D CB 0.557 41.449 40.800 0.154 0.000 1.106 262 D HN 0.299 nan 8.370 nan 0.000 0.493 263 D N -0.294 120.169 120.400 0.104 0.000 2.133 263 D HA -0.175 4.465 4.640 -0.000 0.000 0.192 263 D C 1.320 177.674 176.300 0.090 0.000 1.001 263 D CA 1.362 55.407 54.000 0.075 0.000 0.844 263 D CB -0.215 40.607 40.800 0.036 0.000 0.944 263 D HN 0.440 nan 8.370 nan 0.000 0.447 264 D N 0.571 121.028 120.400 0.095 0.000 2.092 264 D HA -0.127 4.513 4.640 -0.000 0.000 0.193 264 D C 1.638 178.012 176.300 0.123 0.000 0.994 264 D CA 0.922 54.974 54.000 0.087 0.000 0.828 264 D CB -0.355 40.489 40.800 0.073 0.000 0.963 264 D HN 0.194 nan 8.370 nan 0.000 0.450 265 D N 0.210 120.729 120.400 0.199 0.000 2.123 265 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 265 D C 2.298 178.691 176.300 0.156 0.000 0.992 265 D CA 0.373 54.547 54.000 0.291 0.000 0.833 265 D CB -0.179 40.942 40.800 0.535 0.000 0.954 265 D HN 0.046 nan 8.370 nan 0.000 0.455 266 V N 0.802 120.805 119.914 0.149 0.000 2.343 266 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 266 V C 2.665 178.755 176.094 -0.006 0.000 1.051 266 V CA 1.033 63.366 62.300 0.055 0.000 1.036 266 V CB -0.344 31.559 31.823 0.133 0.000 0.654 266 V HN 0.058 nan 8.190 nan 0.000 0.451 267 V N -0.012 119.921 119.914 0.033 0.000 2.490 267 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 267 V C 2.551 178.640 176.094 -0.008 0.000 1.061 267 V CA 1.889 64.195 62.300 0.011 0.000 1.064 267 V CB -0.829 31.009 31.823 0.025 0.000 0.670 267 V HN 0.516 nan 8.190 nan 0.000 0.461 268 R N -0.107 120.409 120.500 0.027 0.000 2.092 268 R HA -0.037 4.303 4.340 -0.000 0.000 0.231 268 R C 2.201 178.471 176.300 -0.050 0.000 1.119 268 R CA 1.494 57.624 56.100 0.051 0.000 0.970 268 R CB -0.364 30.062 30.300 0.210 0.000 0.864 268 R HN 0.439 nan 8.270 nan 0.000 0.440 269 I N 0.852 121.289 120.570 -0.222 0.000 2.439 269 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 269 I C 2.162 178.109 176.117 -0.283 0.000 1.139 269 I CA 0.998 62.049 61.300 -0.416 0.000 1.438 269 I CB -0.193 37.341 38.000 -0.776 0.000 1.085 269 I HN 0.127 nan 8.210 nan 0.000 0.427 270 L N 0.267 121.373 121.223 -0.195 0.000 2.072 270 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 270 L C 2.740 179.530 176.870 -0.133 0.000 1.079 270 L CA 1.188 55.934 54.840 -0.156 0.000 0.752 270 L CB -0.487 41.515 42.059 -0.094 0.000 0.906 270 L HN 0.121 nan 8.230 nan 0.000 0.436 271 R N -0.177 120.265 120.500 -0.097 0.000 2.096 271 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 271 R C 2.408 178.653 176.300 -0.092 0.000 1.127 271 R CA 1.417 57.472 56.100 -0.076 0.000 0.968 271 R CB -0.251 30.022 30.300 -0.044 0.000 0.861 271 R HN 0.213 nan 8.270 nan 0.000 0.440 272 R N 0.794 121.233 120.500 -0.101 0.000 2.115 272 R HA -0.026 4.314 4.340 -0.000 0.000 0.226 272 R C 1.914 178.122 176.300 -0.153 0.000 1.100 272 R CA 1.109 57.150 56.100 -0.099 0.000 0.980 272 R CB -0.042 30.214 30.300 -0.073 0.000 0.875 272 R HN 0.189 nan 8.270 nan 0.000 0.445 273 I N 0.424 120.862 120.570 -0.220 0.000 2.353 273 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 273 I C 2.483 178.395 176.117 -0.343 0.000 1.119 273 I CA 0.868 61.955 61.300 -0.355 0.000 1.417 273 I CB -0.456 37.310 38.000 -0.389 0.000 1.078 273 I HN 0.251 nan 8.210 nan 0.000 0.421 274 A N 1.180 123.867 122.820 -0.221 0.000 1.859 274 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 274 A C 2.405 179.908 177.584 -0.134 0.000 1.198 274 A CA 2.812 54.752 52.037 -0.161 0.000 0.629 274 A CB -1.317 17.618 19.000 -0.108 0.000 0.830 274 A HN 0.392 nan 8.150 nan 0.000 0.446 275 T N 0.355 114.844 114.554 -0.109 0.000 2.759 275 T HA 0.131 4.481 4.350 -0.000 0.000 0.269 275 T C 1.247 175.907 174.700 -0.067 0.000 1.042 275 T CA 1.010 63.067 62.100 -0.072 0.000 1.140 275 T CB -0.595 68.242 68.868 -0.053 0.000 0.864 275 T HN 0.718 nan 8.240 nan 0.000 0.455 279 P HA -0.193 nan 4.420 nan 0.000 0.223 279 P C 0.141 177.443 177.300 0.003 0.000 1.140 279 P CA 1.495 64.595 63.100 -0.001 0.000 0.783 279 P CB 0.167 31.866 31.700 -0.002 0.000 0.759 280 D N -1.907 118.501 120.400 0.012 0.000 2.469 280 D HA 0.016 4.656 4.640 -0.000 0.000 0.213 280 D C 0.312 176.627 176.300 0.025 0.000 1.135 280 D CA -0.139 53.868 54.000 0.012 0.000 0.834 280 D CB 0.247 41.052 40.800 0.009 0.000 1.009 280 D HN 0.027 nan 8.370 nan 0.000 0.507 281 S N -0.712 115.014 115.700 0.044 0.000 2.655 281 S HA 0.556 5.026 4.470 -0.000 0.000 0.265 281 S C 0.181 174.821 174.600 0.067 0.000 1.240 281 S CA -0.862 57.383 58.200 0.075 0.000 0.986 281 S CB 1.304 64.590 63.200 0.144 0.000 0.985 281 S HN -0.000 nan 8.310 nan 0.000 0.562 282 R N 0.189 120.745 120.500 0.093 0.000 2.599 282 R HA 0.536 4.876 4.340 -0.000 0.000 0.295 282 R C -1.423 174.914 176.300 0.063 0.000 0.963 282 R CA -0.805 55.331 56.100 0.059 0.000 0.883 282 R CB 1.374 31.716 30.300 0.070 0.000 1.171 282 R HN 0.657 nan 8.270 nan 0.000 0.450 283 L N 3.850 125.066 121.223 -0.011 0.000 2.296 283 L HA 0.472 4.812 4.340 -0.000 0.000 0.286 283 L C -1.017 175.777 176.870 -0.127 0.000 1.023 283 L CA -0.213 54.600 54.840 -0.046 0.000 0.812 283 L CB 1.004 43.000 42.059 -0.105 0.000 1.223 283 L HN 0.499 nan 8.230 nan 0.000 0.421 284 L N 6.725 127.857 121.223 -0.151 0.000 2.283 284 L HA 0.405 4.745 4.340 -0.000 0.000 0.281 284 L C -0.575 176.169 176.870 -0.210 0.000 1.033 284 L CA -0.832 53.866 54.840 -0.238 0.000 0.848 284 L CB 1.458 43.318 42.059 -0.331 0.000 1.226 284 L HN 0.332 nan 8.230 nan 0.000 0.429 285 V N 5.298 125.062 119.914 -0.250 0.000 2.405 285 V HA 0.239 4.359 4.120 -0.000 0.000 0.264 285 V C 0.460 176.378 176.094 -0.293 0.000 1.048 285 V CA 0.104 62.221 62.300 -0.304 0.000 0.966 285 V CB 1.051 32.600 31.823 -0.457 0.000 1.015 285 V HN 0.487 nan 8.190 nan 0.000 0.477 286 I N 5.287 125.701 120.570 -0.260 0.000 2.330 286 I HA 0.587 4.757 4.170 -0.000 0.000 0.289 286 I C -0.297 175.630 176.117 -0.316 0.000 1.001 286 I CA 0.029 61.177 61.300 -0.254 0.000 1.193 286 I CB 1.384 39.243 38.000 -0.234 0.000 1.345 286 I HN 0.545 nan 8.210 nan 0.000 0.461 287 D N 3.827 124.097 120.400 -0.217 0.000 2.725 287 D HA 0.215 4.854 4.640 -0.000 0.000 0.292 287 D C -1.256 175.112 176.300 0.114 0.000 1.288 287 D CA -0.616 53.327 54.000 -0.095 0.000 0.784 287 D CB 1.702 42.476 40.800 -0.043 0.000 1.308 287 D HN 0.269 nan 8.370 nan 0.000 0.429 288 N N 0.834 119.704 118.700 0.284 0.000 2.470 288 N HA 0.277 5.016 4.740 -0.000 0.000 0.268 288 N C -0.599 175.071 175.510 0.267 0.000 1.136 288 N CA -0.159 53.062 53.050 0.285 0.000 0.961 288 N CB 0.714 39.403 38.487 0.337 0.000 1.067 288 N HN 0.208 nan 8.380 nan 0.000 0.468 289 L N 3.328 124.671 121.223 0.199 0.000 2.341 289 L HA 0.416 4.756 4.340 -0.000 0.000 0.278 289 L C -0.135 176.812 176.870 0.128 0.000 1.005 289 L CA -0.651 54.303 54.840 0.190 0.000 0.818 289 L CB 1.368 43.526 42.059 0.165 0.000 1.259 289 L HN 0.360 nan 8.230 nan 0.000 0.418 290 I N 3.546 124.177 120.570 0.103 0.000 2.421 290 I HA 0.133 4.303 4.170 -0.000 0.000 0.291 290 I C 0.538 176.687 176.117 0.053 0.000 1.089 290 I CA 0.138 61.476 61.300 0.062 0.000 1.354 290 I CB 0.366 38.385 38.000 0.032 0.000 1.413 290 I HN 0.544 nan 8.210 nan 0.000 0.513 291 D N 5.012 125.440 120.400 0.047 0.000 2.567 291 D HA 0.213 4.853 4.640 -0.000 0.000 0.275 291 D C 0.033 176.348 176.300 0.026 0.000 1.195 291 D CA -0.408 53.615 54.000 0.039 0.000 1.087 291 D CB 1.109 41.933 40.800 0.041 0.000 1.165 291 D HN 0.579 nan 8.370 nan 0.000 0.609 292 E N -0.061 120.152 120.200 0.021 0.000 2.354 292 E HA 0.169 4.518 4.350 -0.000 0.000 0.269 292 E C -0.304 176.304 176.600 0.013 0.000 1.036 292 E CA -0.554 55.854 56.400 0.014 0.000 0.876 292 E CB 0.835 30.542 29.700 0.012 0.000 1.009 292 E HN 0.366 nan 8.360 nan 0.000 0.416 293 R N 1.565 122.069 120.500 0.007 0.000 3.205 293 R HA -0.098 4.242 4.340 -0.000 0.000 0.249 293 R C -2.072 174.234 176.300 0.010 0.000 0.937 293 R CA 0.042 56.145 56.100 0.006 0.000 0.641 293 R CB -1.519 28.785 30.300 0.008 0.000 1.114 293 R HN 0.582 nan 8.270 nan 0.000 0.451 294 P HA 0.119 nan 4.420 nan 0.000 0.268 294 P C -0.362 176.945 177.300 0.011 0.000 1.205 294 P CA 0.043 63.153 63.100 0.016 0.000 0.771 294 P CB 0.803 32.509 31.700 0.010 0.000 0.858 295 A N 2.673 125.510 122.820 0.028 0.000 2.483 295 A HA 0.364 4.684 4.320 -0.000 0.000 0.238 295 A C 1.745 179.342 177.584 0.022 0.000 1.070 295 A CA 0.326 52.383 52.037 0.033 0.000 0.770 295 A CB -0.400 18.633 19.000 0.054 0.000 1.008 295 A HN 0.639 nan 8.150 nan 0.000 0.497 296 A N 1.847 124.680 122.820 0.022 0.000 1.896 296 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 296 A C 2.572 180.211 177.584 0.093 0.000 1.206 296 A CA 2.861 54.896 52.037 -0.002 0.000 0.647 296 A CB -1.322 17.735 19.000 0.095 0.000 0.828 296 A HN 1.517 nan 8.150 nan 0.000 0.455 297 S N -1.450 114.378 115.700 0.213 0.000 2.383 297 S HA -0.171 4.298 4.470 -0.000 0.000 0.229 297 S C 2.022 176.748 174.600 0.211 0.000 1.030 297 S CA 2.303 60.675 58.200 0.286 0.000 1.002 297 S CB -0.746 62.563 63.200 0.182 0.000 0.829 297 S HN 0.656 nan 8.310 nan 0.000 0.467 298 T N 2.864 117.492 114.554 0.124 0.000 2.708 298 T HA -0.001 4.349 4.350 -0.000 0.000 0.266 298 T C 1.707 176.450 174.700 0.073 0.000 1.037 298 T CA 1.606 63.766 62.100 0.100 0.000 1.146 298 T CB -0.408 68.506 68.868 0.077 0.000 0.865 298 T HN 0.379 nan 8.240 nan 0.000 0.435 299 L N -0.461 120.761 121.223 -0.001 0.000 2.141 299 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 299 L C 2.303 179.143 176.870 -0.050 0.000 1.094 299 L CA 1.075 55.870 54.840 -0.074 0.000 0.763 299 L CB -0.653 41.297 42.059 -0.183 0.000 0.908 299 L HN 0.185 nan 8.230 nan 0.000 0.437 300 F N -0.105 119.884 119.950 0.066 0.000 2.134 300 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 300 F C 2.424 178.299 175.800 0.125 0.000 1.097 300 F CA 1.186 59.243 58.000 0.096 0.000 1.264 300 F CB -0.847 38.193 39.000 0.067 0.000 1.001 300 F HN -0.228 nan 8.300 nan 0.000 0.479 301 V N -0.026 120.053 119.914 0.275 0.000 2.427 301 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 301 V C 2.021 178.166 176.094 0.085 0.000 1.051 301 V CA 2.125 64.528 62.300 0.173 0.000 1.048 301 V CB -0.743 31.153 31.823 0.123 0.000 0.666 301 V HN 0.305 nan 8.190 nan 0.000 0.456 302 D N -0.178 120.263 120.400 0.067 0.000 2.144 302 D HA -0.208 4.432 4.640 -0.000 0.000 0.199 302 D C 1.942 178.241 176.300 -0.002 0.000 0.984 302 D CA 1.165 55.170 54.000 0.008 0.000 0.834 302 D CB -0.064 40.739 40.800 0.005 0.000 0.955 302 D HN 0.302 nan 8.370 nan 0.000 0.465 303 L N -0.082 121.183 121.223 0.071 0.000 2.109 303 L HA 0.074 4.414 4.340 -0.000 0.000 0.207 303 L C 2.009 178.877 176.870 -0.003 0.000 1.086 303 L CA 1.004 55.888 54.840 0.072 0.000 0.760 303 L CB -0.682 41.519 42.059 0.236 0.000 0.910 303 L HN 0.227 nan 8.230 nan 0.000 0.437 304 L N -0.898 120.419 121.223 0.156 0.000 2.046 304 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 304 L C 2.264 179.036 176.870 -0.162 0.000 1.077 304 L CA 1.796 56.691 54.840 0.091 0.000 0.747 304 L CB -0.557 41.670 42.059 0.281 0.000 0.896 304 L HN 0.256 nan 8.230 nan 0.000 0.432 305 L N -1.242 119.886 121.223 -0.158 0.000 2.079 305 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 305 L C 2.462 179.173 176.870 -0.266 0.000 1.081 305 L CA 1.155 55.841 54.840 -0.257 0.000 0.752 305 L CB -0.644 41.257 42.059 -0.264 0.000 0.896 305 L HN 0.400 nan 8.230 nan 0.000 0.433 306 L N -0.776 120.314 121.223 -0.222 0.000 2.027 306 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 306 L C 2.347 179.046 176.870 -0.284 0.000 1.074 306 L CA 1.663 56.374 54.840 -0.215 0.000 0.745 306 L CB -0.422 41.534 42.059 -0.173 0.000 0.898 306 L HN -0.101 nan 8.230 nan 0.000 0.433 307 V N -0.202 119.461 119.914 -0.418 0.000 2.343 307 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 307 V C 2.527 178.400 176.094 -0.368 0.000 1.051 307 V CA 2.124 64.109 62.300 -0.525 0.000 1.036 307 V CB -0.482 30.687 31.823 -1.090 0.000 0.654 307 V HN 0.452 nan 8.190 nan 0.000 0.451 308 L N -0.035 120.931 121.223 -0.427 0.000 2.095 308 L HA -0.010 4.330 4.340 -0.000 0.000 0.204 308 L C 1.951 178.451 176.870 -0.617 0.000 1.080 308 L CA 1.568 56.095 54.840 -0.521 0.000 0.759 308 L CB -0.280 41.294 42.059 -0.809 0.000 0.914 308 L HN 0.457 nan 8.230 nan 0.000 0.439 309 V N -5.542 114.045 119.914 -0.544 0.000 3.382 309 V HA 0.538 4.658 4.120 -0.000 0.000 0.296 309 V C 1.017 176.929 176.094 -0.302 0.000 1.529 309 V CA 0.237 62.230 62.300 -0.511 0.000 1.048 309 V CB 0.231 31.651 31.823 -0.671 0.000 0.878 309 V HN 0.423 nan 8.190 nan 0.000 0.442 310 G N 0.066 108.727 108.800 -0.232 0.000 2.136 310 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.242 310 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.242 310 G C 0.614 175.451 174.900 -0.105 0.000 0.989 310 G CA 0.377 45.395 45.100 -0.135 0.000 0.682 310 G HN 1.383 nan 8.290 nan 0.000 0.522 311 G N -0.836 107.874 108.800 -0.150 0.000 2.509 311 G HA2 0.967 4.926 3.960 -0.000 0.000 0.269 311 G HA3 0.967 4.926 3.960 -0.000 0.000 0.269 311 G C 0.049 174.905 174.900 -0.074 0.000 1.416 311 G CA 0.470 45.519 45.100 -0.086 0.000 1.052 311 G HN 1.886 nan 8.290 nan 0.000 0.542 312 A N -1.434 121.364 122.820 -0.037 0.000 2.586 312 A HA 0.558 4.878 4.320 -0.000 0.000 0.296 312 A C -0.907 176.686 177.584 0.015 0.000 1.040 312 A CA -0.661 51.357 52.037 -0.032 0.000 0.701 312 A CB 1.028 20.005 19.000 -0.038 0.000 1.277 312 A HN 0.467 nan 8.150 nan 0.000 0.413 313 E N 1.042 121.251 120.200 0.016 0.000 2.313 313 E HA 0.520 4.870 4.350 -0.000 0.000 0.272 313 E C -0.338 176.245 176.600 -0.029 0.000 1.038 313 E CA -0.183 56.257 56.400 0.068 0.000 0.863 313 E CB 1.321 31.076 29.700 0.092 0.000 1.060 313 E HN 0.536 nan 8.360 nan 0.000 0.402 314 R N 0.273 120.720 120.500 -0.089 0.000 2.807 314 R HA 0.324 4.664 4.340 -0.000 0.000 0.276 314 R C 0.055 176.311 176.300 -0.074 0.000 0.979 314 R CA -0.635 55.323 56.100 -0.236 0.000 0.928 314 R CB 1.731 31.581 30.300 -0.750 0.000 1.191 314 R HN 0.638 nan 8.270 nan 0.000 0.471 315 S N -0.369 115.300 115.700 -0.051 0.000 2.624 315 S HA 0.017 4.487 4.470 -0.000 0.000 0.263 315 S C 1.012 175.688 174.600 0.127 0.000 1.287 315 S CA -0.528 57.697 58.200 0.042 0.000 0.990 315 S CB 1.336 64.548 63.200 0.020 0.000 0.950 315 S HN 0.836 nan 8.310 nan 0.000 0.561 316 E N 0.773 121.070 120.200 0.162 0.000 2.077 316 E HA -0.139 4.210 4.350 -0.000 0.000 0.193 316 E C 1.870 178.562 176.600 0.153 0.000 0.989 316 E CA 1.357 57.878 56.400 0.202 0.000 0.800 316 E CB -0.347 29.425 29.700 0.120 0.000 0.746 316 E HN 0.734 nan 8.360 nan 0.000 0.452 317 S N 0.953 116.703 115.700 0.084 0.000 2.359 317 S HA -0.227 4.242 4.470 -0.000 0.000 0.223 317 S C 1.774 176.404 174.600 0.051 0.000 1.039 317 S CA 1.663 59.897 58.200 0.056 0.000 1.042 317 S CB -0.371 62.847 63.200 0.030 0.000 0.915 317 S HN 0.354 nan 8.310 nan 0.000 0.439 318 E N 0.046 120.255 120.200 0.015 0.000 2.085 318 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 318 E C 1.778 178.363 176.600 -0.025 0.000 0.994 318 E CA 1.117 57.490 56.400 -0.045 0.000 0.801 318 E CB -0.235 29.386 29.700 -0.131 0.000 0.743 318 E HN 0.393 nan 8.360 nan 0.000 0.453 319 F N 0.762 120.719 119.950 0.013 0.000 2.134 319 F HA -0.151 4.376 4.527 0.000 0.000 0.299 319 F C 2.371 178.168 175.800 -0.005 0.000 1.097 319 F CA 1.125 59.128 58.000 0.005 0.000 1.264 319 F CB -0.738 38.263 39.000 0.001 0.000 1.001 319 F HN -0.007 nan 8.300 nan 0.000 0.479 320 A N -0.228 122.708 122.820 0.193 0.000 1.940 320 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 320 A C 2.420 180.045 177.584 0.069 0.000 1.176 320 A CA 1.781 53.877 52.037 0.099 0.000 0.631 320 A CB -1.280 17.760 19.000 0.066 0.000 0.814 320 A HN 0.313 nan 8.150 nan 0.000 0.446 321 A N -0.366 122.491 122.820 0.061 0.000 1.930 321 A HA 0.015 4.334 4.320 -0.000 0.000 0.217 321 A C 2.136 179.742 177.584 0.038 0.000 1.175 321 A CA 1.453 53.512 52.037 0.035 0.000 0.627 321 A CB -0.476 18.535 19.000 0.019 0.000 0.815 321 A HN 0.482 nan 8.150 nan 0.000 0.443 322 L N -0.932 120.327 121.223 0.060 0.000 2.131 322 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 322 L C 2.479 179.380 176.870 0.051 0.000 1.087 322 L CA 0.544 55.420 54.840 0.059 0.000 0.767 322 L CB -0.564 41.547 42.059 0.088 0.000 0.917 322 L HN 0.327 nan 8.230 nan 0.000 0.441 323 L N -0.053 121.210 121.223 0.066 0.000 2.012 323 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 323 L C 2.845 179.718 176.870 0.005 0.000 1.073 323 L CA 1.395 56.248 54.840 0.023 0.000 0.748 323 L CB -0.660 41.410 42.059 0.018 0.000 0.891 323 L HN 0.359 nan 8.230 nan 0.000 0.431 324 E N 1.461 121.669 120.200 0.013 0.000 2.070 324 E HA -0.273 4.077 4.350 -0.000 0.000 0.197 324 E C 1.906 178.506 176.600 -0.000 0.000 1.004 324 E CA 1.679 58.081 56.400 0.004 0.000 0.805 324 E CB -0.048 29.657 29.700 0.009 0.000 0.744 324 E HN 0.480 nan 8.360 nan 0.000 0.451 325 K N 0.020 120.423 120.400 0.005 0.000 2.515 325 K HA 0.016 4.336 4.320 -0.000 0.000 0.196 325 K C 1.425 178.021 176.600 -0.007 0.000 1.038 325 K CA 0.846 57.134 56.287 0.001 0.000 0.967 325 K CB 0.129 32.633 32.500 0.007 0.000 0.780 325 K HN -0.042 nan 8.250 nan 0.000 0.483 326 S N -0.065 115.627 115.700 -0.013 0.000 2.602 326 S HA 0.175 4.645 4.470 -0.000 0.000 0.240 326 S C 0.745 175.323 174.600 -0.037 0.000 0.992 326 S CA 0.091 58.274 58.200 -0.028 0.000 0.971 326 S CB 1.146 64.323 63.200 -0.038 0.000 0.855 326 S HN 0.522 nan 8.310 nan 0.000 0.481 327 G N 1.805 110.589 108.800 -0.027 0.000 2.225 327 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.267 327 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.267 327 G C -0.118 174.760 174.900 -0.037 0.000 1.024 327 G CA 0.397 45.479 45.100 -0.030 0.000 0.784 327 G HN 0.481 nan 8.290 nan 0.000 0.507 328 L N -1.709 119.491 121.223 -0.038 0.000 2.279 328 L HA 0.889 5.229 4.340 -0.000 0.000 0.262 328 L C 0.499 177.351 176.870 -0.031 0.000 1.019 328 L CA -1.368 53.445 54.840 -0.045 0.000 0.823 328 L CB 2.219 44.239 42.059 -0.064 0.000 1.358 328 L HN 0.194 nan 8.230 nan 0.000 0.432 329 R N -0.090 120.390 120.500 -0.034 0.000 2.584 329 R HA 0.450 4.790 4.340 -0.000 0.000 0.276 329 R C -1.662 174.621 176.300 -0.028 0.000 1.046 329 R CA -0.645 55.441 56.100 -0.023 0.000 0.906 329 R CB 2.159 32.448 30.300 -0.018 0.000 1.215 329 R HN 0.347 nan 8.270 nan 0.000 0.449 330 V N 4.634 124.536 119.914 -0.020 0.000 2.400 330 V HA -0.037 4.083 4.120 -0.000 0.000 0.263 330 V C 1.275 177.358 176.094 -0.018 0.000 1.026 330 V CA 0.534 62.820 62.300 -0.023 0.000 1.077 330 V CB 0.719 32.537 31.823 -0.008 0.000 1.054 330 V HN 0.854 nan 8.190 nan 0.000 0.477 331 E N 5.112 125.298 120.200 -0.023 0.000 2.016 331 E HA -0.014 4.335 4.350 -0.000 0.000 0.190 331 E C 1.114 177.709 176.600 -0.008 0.000 0.985 331 E CA 1.096 57.488 56.400 -0.013 0.000 0.802 331 E CB 0.281 29.975 29.700 -0.009 0.000 0.762 331 E HN 0.658 nan 8.360 nan 0.000 0.448 332 R N -0.629 119.865 120.500 -0.010 0.000 2.604 332 R HA 0.362 4.702 4.340 -0.000 0.000 0.270 332 R C -1.655 174.637 176.300 -0.012 0.000 1.052 332 R CA -0.392 55.706 56.100 -0.004 0.000 0.902 332 R CB 1.652 31.956 30.300 0.008 0.000 1.233 332 R HN 0.119 nan 8.270 nan 0.000 0.455 333 S N 3.632 119.329 115.700 -0.006 0.000 2.549 333 S HA 0.782 5.252 4.470 -0.000 0.000 0.297 333 S C -1.168 173.434 174.600 0.004 0.000 1.115 333 S CA -0.649 57.546 58.200 -0.008 0.000 1.059 333 S CB 0.768 63.968 63.200 0.001 0.000 1.046 333 S HN 0.429 nan 8.310 nan 0.000 0.506 334 L N 1.471 122.696 121.223 0.004 0.000 2.506 334 L HA 0.714 5.054 4.340 -0.000 0.000 0.257 334 L C -3.080 173.801 176.870 0.019 0.000 0.964 334 L CA -2.117 52.733 54.840 0.017 0.000 0.836 334 L CB 0.650 42.726 42.059 0.028 0.000 1.384 334 L HN 0.333 nan 8.230 nan 0.000 0.410 335 P HA 0.256 nan 4.420 nan 0.000 0.269 335 P C -0.904 176.417 177.300 0.035 0.000 1.209 335 P CA -0.293 62.825 63.100 0.031 0.000 0.776 335 P CB 0.777 32.496 31.700 0.032 0.000 0.876 336 C N 3.388 122.711 119.300 0.038 0.000 2.789 336 C HA 0.725 5.185 4.460 -0.000 0.000 0.367 336 C C 0.131 175.151 174.990 0.049 0.000 1.062 336 C CA 0.838 59.882 59.018 0.043 0.000 1.297 336 C CB -0.581 27.180 27.740 0.034 0.000 1.794 336 C HN 1.039 nan 8.230 nan 0.000 0.474 337 G N 3.963 112.794 108.800 0.051 0.000 2.787 337 G HA2 0.332 4.292 3.960 -0.000 0.000 0.685 337 G HA3 0.332 4.292 3.960 -0.000 0.000 0.685 337 G C 0.542 175.474 174.900 0.053 0.000 1.437 337 G CA -0.288 44.844 45.100 0.054 0.000 0.872 337 G HN 2.303 nan 8.290 nan 0.000 0.566 338 A N 0.716 123.567 122.820 0.051 0.000 2.251 338 A HA 0.627 4.946 4.320 -0.000 0.000 0.209 338 A C 1.811 179.429 177.584 0.056 0.000 1.187 338 A CA 1.688 53.754 52.037 0.049 0.000 0.823 338 A CB -0.468 18.558 19.000 0.042 0.000 0.846 338 A HN 2.225 nan 8.150 nan 0.000 0.486 339 G N 0.242 109.082 108.800 0.068 0.000 2.485 339 G HA2 0.382 4.342 3.960 -0.000 0.000 0.260 339 G HA3 0.382 4.342 3.960 -0.000 0.000 0.260 339 G C -1.402 173.548 174.900 0.083 0.000 1.459 339 G CA -0.200 44.948 45.100 0.080 0.000 1.060 339 G HN 0.176 nan 8.290 nan 0.000 0.546 340 P HA 0.198 nan 4.420 nan 0.000 0.263 340 P C -0.097 177.273 177.300 0.117 0.000 1.448 340 P CA -0.233 62.928 63.100 0.102 0.000 0.983 340 P CB 0.225 31.991 31.700 0.110 0.000 1.481 341 V N 1.964 121.948 119.914 0.118 0.000 2.637 341 V HA 0.229 4.349 4.120 -0.000 0.000 0.296 341 V C 0.746 176.873 176.094 0.056 0.000 1.046 341 V CA 0.085 62.446 62.300 0.103 0.000 1.066 341 V CB 0.334 32.217 31.823 0.099 0.000 0.968 341 V HN 0.109 nan 8.190 nan 0.000 0.483 342 R N 3.706 124.222 120.500 0.027 0.000 2.725 342 R HA 0.600 4.940 4.340 -0.000 0.000 0.277 342 R C -0.977 175.294 176.300 -0.049 0.000 0.987 342 R CA -0.854 55.248 56.100 0.003 0.000 0.901 342 R CB 2.178 32.487 30.300 0.016 0.000 1.207 342 R HN 0.598 nan 8.270 nan 0.000 0.463 343 I N 1.856 122.395 120.570 -0.052 0.000 2.342 343 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 343 I C -0.031 176.020 176.117 -0.110 0.000 1.010 343 I CA -0.853 60.386 61.300 -0.102 0.000 1.308 343 I CB 1.497 39.442 38.000 -0.091 0.000 1.400 343 I HN 0.031 nan 8.210 nan 0.000 0.488 344 V N 6.315 126.131 119.914 -0.164 0.000 2.326 344 V HA 0.178 4.298 4.120 -0.000 0.000 0.281 344 V C 0.205 176.196 176.094 -0.171 0.000 1.015 344 V CA -0.674 61.534 62.300 -0.153 0.000 0.823 344 V CB 1.315 33.021 31.823 -0.195 0.000 1.009 344 V HN 0.727 nan 8.190 nan 0.000 0.436 345 E N 4.811 124.935 120.200 -0.127 0.000 2.344 345 E HA 0.458 4.808 4.350 -0.000 0.000 0.270 345 E C -1.090 175.458 176.600 -0.088 0.000 1.021 345 E CA -0.144 56.185 56.400 -0.118 0.000 0.887 345 E CB 0.776 30.461 29.700 -0.026 0.000 0.997 345 E HN 0.613 nan 8.360 nan 0.000 0.429 346 I N 4.985 125.500 120.570 -0.092 0.000 2.533 346 I HA 0.364 4.534 4.170 -0.000 0.000 0.290 346 I C -0.183 175.902 176.117 -0.054 0.000 1.056 346 I CA -0.742 60.513 61.300 -0.077 0.000 1.057 346 I CB 1.813 39.749 38.000 -0.106 0.000 1.240 346 I HN 0.563 nan 8.210 nan 0.000 0.423 347 R N 4.947 125.423 120.500 -0.040 0.000 2.923 347 R HA 0.708 5.048 4.340 -0.000 0.000 0.252 347 R C -0.722 175.555 176.300 -0.038 0.000 1.130 347 R CA -1.083 54.999 56.100 -0.030 0.000 1.043 347 R CB 1.144 31.434 30.300 -0.017 0.000 1.205 347 R HN 0.411 nan 8.270 nan 0.000 0.495 348 R N 0.194 120.673 120.500 -0.035 0.000 2.641 348 R HA 0.266 4.606 4.340 -0.000 0.000 0.269 348 R C 0.218 176.501 176.300 -0.028 0.000 1.074 348 R CA 0.106 56.183 56.100 -0.038 0.000 1.133 348 R CB 0.820 31.098 30.300 -0.036 0.000 1.029 348 R HN 0.742 nan 8.270 nan 0.000 0.488 349 A N 0.000 122.803 122.820 -0.028 0.000 2.254 349 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 349 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 349 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 349 A HN 0.000 nan 8.150 nan 0.000 0.486