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_A 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 3.967 3.960 0.012 0.000 0.244 11 G C 0.000 174.900 174.900 0.000 0.000 0.946 11 G CA 0.000 45.100 45.100 0.000 0.000 0.502 12 T N 1.385 115.940 114.554 0.001 0.000 2.602 12 T HA -0.341 4.017 4.350 0.012 0.000 0.264 12 T C 2.805 177.506 174.700 0.001 0.000 1.085 12 T CA 3.041 65.141 62.100 0.001 0.000 1.164 12 T CB -0.161 68.707 68.868 0.001 0.000 0.860 12 T HN 0.928 nan 8.240 nan 0.000 0.442 13 A N 0.954 123.774 122.820 0.001 0.000 1.972 13 A HA 0.167 4.494 4.320 0.012 0.000 0.219 13 A C 2.594 180.178 177.584 -0.000 0.000 1.169 13 A CA 1.958 53.995 52.037 0.000 0.000 0.635 13 A CB -0.951 18.049 19.000 0.001 0.000 0.810 13 A HN 0.580 nan 8.150 nan 0.000 0.446 14 A N -0.446 122.373 122.820 -0.001 0.000 1.930 14 A HA -0.104 4.224 4.320 0.012 0.000 0.217 14 A C 2.232 179.814 177.584 -0.002 0.000 1.175 14 A CA 1.538 53.575 52.037 -0.001 0.000 0.627 14 A CB -0.412 18.587 19.000 -0.001 0.000 0.815 14 A HN 0.525 nan 8.150 nan 0.000 0.443 15 R N -0.540 119.959 120.500 -0.001 0.000 2.115 15 R HA 0.008 4.356 4.340 0.012 0.000 0.226 15 R C 2.219 178.518 176.300 -0.002 0.000 1.100 15 R CA 1.118 57.217 56.100 -0.002 0.000 0.980 15 R CB -0.290 30.010 30.300 -0.001 0.000 0.875 15 R HN 0.452 nan 8.270 nan 0.000 0.445 16 A N 0.721 123.540 122.820 -0.001 0.000 1.873 16 A HA -0.067 4.260 4.320 0.012 0.000 0.215 16 A C 2.316 179.898 177.584 -0.004 0.000 1.186 16 A CA 1.529 53.565 52.037 -0.002 0.000 0.616 16 A CB -0.753 18.247 19.000 -0.000 0.000 0.823 16 A HN 0.472 nan 8.150 nan 0.000 0.442 17 A N -0.227 122.591 122.820 -0.004 0.000 1.933 17 A HA 0.184 4.511 4.320 0.012 0.000 0.218 17 A C 2.453 180.032 177.584 -0.008 0.000 1.175 17 A CA 1.988 54.022 52.037 -0.005 0.000 0.628 17 A CB -0.883 18.114 19.000 -0.004 0.000 0.814 17 A HN 1.008 nan 8.150 nan 0.000 0.444 18 A N -0.180 122.636 122.820 -0.007 0.000 1.898 18 A HA -0.146 4.181 4.320 0.012 0.000 0.216 18 A C 1.914 179.490 177.584 -0.012 0.000 1.181 18 A CA 1.553 53.584 52.037 -0.009 0.000 0.620 18 A CB -0.486 18.510 19.000 -0.007 0.000 0.819 18 A HN 0.619 nan 8.150 nan 0.000 0.442 19 E N -0.686 119.508 120.200 -0.010 0.000 2.110 19 E HA -0.224 4.133 4.350 0.012 0.000 0.193 19 E C 2.046 178.635 176.600 -0.018 0.000 0.988 19 E CA 1.319 57.712 56.400 -0.012 0.000 0.804 19 E CB -0.098 29.598 29.700 -0.007 0.000 0.745 19 E HN 0.841 nan 8.360 nan 0.000 0.458 20 E N 0.333 120.524 120.200 -0.016 0.000 2.047 20 E HA -0.147 4.210 4.350 0.012 0.000 0.191 20 E C 1.895 178.477 176.600 -0.029 0.000 0.987 20 E CA 1.606 57.994 56.400 -0.020 0.000 0.799 20 E CB 0.089 29.781 29.700 -0.013 0.000 0.752 20 E HN 0.046 nan 8.360 nan 0.000 0.449 21 T N 0.341 114.880 114.554 -0.024 0.000 2.720 21 T HA -0.151 4.207 4.350 0.012 0.000 0.268 21 T C 1.856 176.533 174.700 -0.038 0.000 1.037 21 T CA 1.448 63.532 62.100 -0.028 0.000 1.144 21 T CB -0.208 68.648 68.868 -0.019 0.000 0.864 21 T HN 0.038 nan 8.240 nan 0.000 0.444 22 V N 1.815 121.707 119.914 -0.037 0.000 2.453 22 V HA -0.105 4.022 4.120 0.012 0.000 0.247 22 V C 2.382 178.433 176.094 -0.071 0.000 1.048 22 V CA 1.536 63.809 62.300 -0.045 0.000 1.049 22 V CB -0.654 31.149 31.823 -0.033 0.000 0.672 22 V HN 0.445 nan 8.190 nan 0.000 0.457 23 N N 0.276 118.933 118.700 -0.070 0.000 2.244 23 N HA -0.158 4.589 4.740 0.012 0.000 0.183 23 N C 1.471 176.892 175.510 -0.148 0.000 1.016 23 N CA 1.236 54.225 53.050 -0.101 0.000 0.866 23 N CB -0.113 38.333 38.487 -0.068 0.000 0.980 23 N HN 0.414 nan 8.380 nan 0.000 0.430 24 D N 0.161 120.494 120.400 -0.110 0.000 2.097 24 D HA -0.111 4.536 4.640 0.012 0.000 0.195 24 D C 1.931 178.138 176.300 -0.155 0.000 0.989 24 D CA 0.831 54.759 54.000 -0.121 0.000 0.827 24 D CB -0.247 40.508 40.800 -0.075 0.000 0.966 24 D HN 0.379 nan 8.370 nan 0.000 0.456 25 I N 0.761 121.256 120.570 -0.125 0.000 2.208 25 I HA -0.264 3.913 4.170 0.012 0.000 0.245 25 I C 2.444 178.446 176.117 -0.192 0.000 1.097 25 I CA 0.772 61.999 61.300 -0.123 0.000 1.363 25 I CB -0.188 37.768 38.000 -0.074 0.000 1.051 25 I HN -0.009 nan 8.210 nan 0.000 0.413 26 L N -0.168 120.915 121.223 -0.234 0.000 2.017 26 L HA -0.247 4.100 4.340 0.012 0.000 0.208 26 L C 2.587 179.063 176.870 -0.656 0.000 1.073 26 L CA 1.514 56.147 54.840 -0.346 0.000 0.745 26 L CB -0.734 41.144 42.059 -0.302 0.000 0.894 26 L HN 0.325 nan 8.230 nan 0.000 0.432 27 Q N -0.128 119.253 119.800 -0.699 0.000 2.291 27 Q HA -0.113 4.235 4.340 0.012 0.000 0.205 27 Q C 2.296 177.984 176.000 -0.519 0.000 0.970 27 Q CA 1.036 56.276 55.803 -0.938 0.000 0.876 27 Q CB -0.344 28.093 28.738 -0.502 0.000 0.935 27 Q HN 0.626 nan 8.270 nan 0.000 0.455 28 G N 1.237 109.841 108.800 -0.326 0.000 2.475 28 G HA2 -0.305 3.662 3.960 0.012 0.000 0.220 28 G HA3 -0.305 3.662 3.960 0.012 0.000 0.220 28 G C 1.469 176.289 174.900 -0.132 0.000 1.125 28 G CA 0.953 45.941 45.100 -0.188 0.000 0.755 28 G HN 0.436 nan 8.290 nan 0.000 0.565 29 A N 0.158 122.883 122.820 -0.159 0.000 1.933 29 A HA -0.008 4.320 4.320 0.012 0.000 0.218 29 A C 2.156 179.921 177.584 0.302 0.000 1.175 29 A CA 1.553 53.647 52.037 0.096 0.000 0.628 29 A CB -0.511 18.584 19.000 0.157 0.000 0.814 29 A HN 0.486 nan 8.150 nan 0.000 0.444 30 W N 0.151 121.475 121.300 0.040 0.000 2.436 30 W HA 0.060 4.727 4.660 0.012 0.000 0.284 30 W C 2.119 178.587 176.519 -0.085 0.000 1.225 30 W CA 0.647 57.981 57.345 -0.018 0.000 1.271 30 W CB -0.851 28.602 29.460 -0.012 0.000 1.114 30 W HN 0.382 nan 8.180 nan 0.000 0.559 31 K N 0.660 121.128 120.400 0.115 0.000 2.026 31 K HA -0.124 4.203 4.320 0.012 0.000 0.208 31 K C 2.213 178.749 176.600 -0.106 0.000 1.048 31 K CA 1.879 58.166 56.287 -0.001 0.000 0.929 31 K CB -0.269 32.210 32.500 -0.036 0.000 0.713 31 K HN -0.045 nan 8.250 nan 0.000 0.439 32 A N 1.128 123.866 122.820 -0.136 0.000 1.877 32 A HA -0.174 4.154 4.320 0.012 0.000 0.216 32 A C 2.106 179.267 177.584 -0.705 0.000 1.186 32 A CA 1.632 53.466 52.037 -0.339 0.000 0.620 32 A CB -0.491 18.403 19.000 -0.176 0.000 0.822 32 A HN 0.244 nan 8.150 nan 0.000 0.443 33 R N -0.099 120.139 120.500 -0.436 0.000 2.115 33 R HA 0.039 4.386 4.340 0.012 0.000 0.230 33 R C 2.141 178.242 176.300 -0.332 0.000 1.111 33 R CA 1.486 57.278 56.100 -0.515 0.000 0.976 33 R CB -0.717 29.263 30.300 -0.534 0.000 0.870 33 R HN 0.446 nan 8.270 nan 0.000 0.445 34 A N 0.422 123.113 122.820 -0.215 0.000 1.902 34 A HA -0.119 4.208 4.320 0.012 0.000 0.217 34 A C 2.168 179.683 177.584 -0.116 0.000 1.181 34 A CA 1.498 53.459 52.037 -0.127 0.000 0.623 34 A CB -0.552 18.413 19.000 -0.059 0.000 0.818 34 A HN 0.320 nan 8.150 nan 0.000 0.443 35 I N -0.935 119.530 120.570 -0.176 0.000 2.226 35 I HA -0.307 3.871 4.170 0.012 0.000 0.245 35 I C 2.387 178.467 176.117 -0.061 0.000 1.100 35 I CA 1.804 63.027 61.300 -0.129 0.000 1.374 35 I CB -0.807 37.087 38.000 -0.177 0.000 1.057 35 I HN 0.513 nan 8.210 nan 0.000 0.413 36 H N -0.291 118.717 119.070 -0.104 0.000 2.352 36 H HA -0.140 4.423 4.556 0.013 0.000 0.299 36 H C 2.398 177.656 175.328 -0.116 0.000 1.097 36 H CA 1.186 57.157 56.048 -0.128 0.000 1.311 36 H CB -0.025 29.614 29.762 -0.204 0.000 1.377 36 H HN 0.108 nan 8.280 nan 0.000 0.504 37 V N 0.936 120.841 119.914 -0.014 0.000 2.358 37 V HA -0.255 3.872 4.120 0.012 0.000 0.246 37 V C 2.640 178.723 176.094 -0.018 0.000 1.047 37 V CA 1.534 63.806 62.300 -0.046 0.000 1.035 37 V CB -0.790 30.982 31.823 -0.085 0.000 0.658 37 V HN 0.553 nan 8.190 nan 0.000 0.452 38 A N 0.529 123.356 122.820 0.010 0.000 1.902 38 A HA -0.148 4.179 4.320 0.012 0.000 0.217 38 A C 2.353 179.978 177.584 0.069 0.000 1.181 38 A CA 2.174 54.248 52.037 0.061 0.000 0.623 38 A CB -0.658 18.452 19.000 0.182 0.000 0.818 38 A HN 0.645 nan 8.150 nan 0.000 0.443 39 V N -2.166 117.783 119.914 0.058 0.000 2.719 39 V HA -0.092 4.035 4.120 0.012 0.000 0.252 39 V C 2.009 178.120 176.094 0.028 0.000 1.065 39 V CA 2.084 64.414 62.300 0.050 0.000 1.086 39 V CB -0.625 31.227 31.823 0.048 0.000 0.700 39 V HN 0.658 nan 8.190 nan 0.000 0.467 40 E N 0.647 120.853 120.200 0.011 0.000 2.072 40 E HA -0.111 4.246 4.350 0.012 0.000 0.190 40 E C 2.133 178.729 176.600 -0.005 0.000 0.982 40 E CA 1.370 57.766 56.400 -0.006 0.000 0.803 40 E CB -0.162 29.519 29.700 -0.031 0.000 0.755 40 E HN 0.685 nan 8.360 nan 0.000 0.453 41 L N -0.430 120.787 121.223 -0.010 0.000 2.156 41 L HA 0.036 4.383 4.340 0.012 0.000 0.208 41 L C 1.505 178.371 176.870 -0.007 0.000 1.095 41 L CA 0.849 55.679 54.840 -0.017 0.000 0.770 41 L CB -0.148 41.890 42.059 -0.035 0.000 0.914 41 L HN 0.494 nan 8.230 nan 0.000 0.439 42 G N -0.950 107.856 108.800 0.010 0.000 2.164 42 G HA2 -0.207 3.760 3.960 0.012 0.000 0.212 42 G HA3 -0.207 3.760 3.960 0.012 0.000 0.212 42 G C 0.546 175.460 174.900 0.023 0.000 1.031 42 G CA 0.122 45.235 45.100 0.021 0.000 0.730 42 G HN 0.054 nan 8.290 nan 0.000 0.501 43 V N 0.288 120.219 119.914 0.028 0.000 2.358 43 V HA -0.103 4.024 4.120 0.012 0.000 0.246 43 V C 0.766 176.917 176.094 0.094 0.000 1.047 43 V CA 2.489 64.787 62.300 -0.003 0.000 1.035 43 V CB -0.849 30.908 31.823 -0.110 0.000 0.658 43 V HN 0.393 nan 8.190 nan 0.000 0.452 44 P HA -0.116 nan 4.420 nan 0.000 0.217 44 P C 1.440 178.814 177.300 0.123 0.000 1.150 44 P CA 1.182 64.426 63.100 0.240 0.000 0.832 44 P CB 0.011 31.808 31.700 0.162 0.000 0.787 45 E N -0.495 119.752 120.200 0.078 0.000 2.153 45 E HA -0.097 4.260 4.350 0.012 0.000 0.194 45 E C 1.633 178.257 176.600 0.040 0.000 0.988 45 E CA 0.838 57.268 56.400 0.050 0.000 0.811 45 E CB -0.875 28.847 29.700 0.036 0.000 0.746 45 E HN 0.254 nan 8.360 nan 0.000 0.466 46 L N 0.087 121.329 121.223 0.032 0.000 2.599 46 L HA 0.060 4.407 4.340 0.012 0.000 0.230 46 L C 1.104 177.986 176.870 0.020 0.000 1.141 46 L CA 0.300 55.148 54.840 0.013 0.000 0.877 46 L CB 0.104 42.156 42.059 -0.012 0.000 1.009 46 L HN 0.128 nan 8.230 nan 0.000 0.447 47 L N -1.085 120.166 121.223 0.046 0.000 3.122 47 L HA 0.140 4.487 4.340 0.012 0.000 0.274 47 L C 1.567 178.476 176.870 0.065 0.000 1.222 47 L CA -0.003 54.873 54.840 0.060 0.000 1.028 47 L CB 0.401 42.521 42.059 0.101 0.000 1.386 47 L HN 0.241 nan 8.230 nan 0.000 0.578 48 Q N 0.293 120.124 119.800 0.051 0.000 2.245 48 Q HA -0.046 4.301 4.340 0.012 0.000 0.201 48 Q C 0.413 176.434 176.000 0.035 0.000 0.955 48 Q CA 0.837 56.666 55.803 0.044 0.000 0.870 48 Q CB 0.288 29.048 28.738 0.037 0.000 0.945 48 Q HN 0.467 nan 8.270 nan 0.000 0.461 49 E N 0.598 120.816 120.200 0.030 0.000 2.598 49 E HA 0.316 4.673 4.350 0.012 0.000 0.233 49 E C -0.180 176.436 176.600 0.025 0.000 1.173 49 E CA -0.236 56.179 56.400 0.025 0.000 1.473 49 E CB 0.631 30.342 29.700 0.019 0.000 1.398 49 E HN 0.324 nan 8.360 nan 0.000 0.431 50 G N 1.989 110.808 108.800 0.032 0.000 2.712 50 G HA2 -0.182 3.785 3.960 0.012 0.000 0.683 50 G HA3 -0.182 3.785 3.960 0.012 0.000 0.683 50 G C -2.800 172.120 174.900 0.032 0.000 1.320 50 G CA -1.372 43.747 45.100 0.032 0.000 0.847 50 G HN 0.060 nan 8.290 nan 0.000 0.553 51 P HA 0.411 nan 4.420 nan 0.000 0.268 51 P C -0.084 177.226 177.300 0.016 0.000 1.208 51 P CA 0.040 63.153 63.100 0.022 0.000 0.777 51 P CB 0.485 32.183 31.700 -0.004 0.000 0.875 52 R N 0.144 120.658 120.500 0.023 0.000 2.808 52 R HA 0.503 4.851 4.340 0.012 0.000 0.272 52 R C -0.147 176.178 176.300 0.043 0.000 0.995 52 R CA -0.638 55.472 56.100 0.017 0.000 0.917 52 R CB 1.054 31.355 30.300 0.002 0.000 1.217 52 R HN 0.477 nan 8.270 nan 0.000 0.471 53 T N -2.033 112.538 114.554 0.029 0.000 2.882 53 T HA 0.330 4.687 4.350 0.012 0.000 0.287 53 T C 1.407 176.149 174.700 0.071 0.000 1.014 53 T CA -0.033 62.100 62.100 0.055 0.000 1.049 53 T CB 1.282 70.161 68.868 0.018 0.000 1.001 53 T HN 0.550 nan 8.240 nan 0.000 0.525 54 A N 1.603 124.500 122.820 0.128 0.000 1.972 54 A HA -0.024 4.303 4.320 0.012 0.000 0.219 54 A C 2.454 180.015 177.584 -0.039 0.000 1.169 54 A CA 2.040 54.084 52.037 0.013 0.000 0.635 54 A CB -1.728 17.298 19.000 0.043 0.000 0.810 54 A HN 0.938 nan 8.150 nan 0.000 0.446 55 T N 0.233 114.777 114.554 -0.017 0.000 2.684 55 T HA -0.086 4.272 4.350 0.012 0.000 0.267 55 T C 2.199 176.875 174.700 -0.040 0.000 1.036 55 T CA 1.828 63.905 62.100 -0.037 0.000 1.148 55 T CB -0.398 68.454 68.868 -0.026 0.000 0.863 55 T HN 0.616 nan 8.240 nan 0.000 0.436 56 A N 0.900 123.703 122.820 -0.028 0.000 1.898 56 A HA 0.142 4.469 4.320 0.012 0.000 0.214 56 A C 2.308 179.867 177.584 -0.041 0.000 1.183 56 A CA 0.855 52.875 52.037 -0.028 0.000 0.622 56 A CB -0.772 18.218 19.000 -0.017 0.000 0.824 56 A HN 0.452 nan 8.150 nan 0.000 0.444 57 L N -0.480 120.710 121.223 -0.055 0.000 2.043 57 L HA -0.267 4.080 4.340 0.012 0.000 0.212 57 L C 3.075 179.894 176.870 -0.084 0.000 1.075 57 L CA 1.252 56.041 54.840 -0.084 0.000 0.752 57 L CB -0.571 41.405 42.059 -0.139 0.000 0.891 57 L HN 0.455 nan 8.230 nan 0.000 0.432 58 A N 0.065 122.834 122.820 -0.084 0.000 1.873 58 A HA -0.251 4.076 4.320 0.012 0.000 0.215 58 A C 2.188 179.740 177.584 -0.055 0.000 1.186 58 A CA 1.754 53.745 52.037 -0.077 0.000 0.616 58 A CB -0.511 18.434 19.000 -0.091 0.000 0.823 58 A HN 0.442 nan 8.150 nan 0.000 0.442 59 E N 0.600 120.771 120.200 -0.048 0.000 2.049 59 E HA -0.154 4.203 4.350 0.012 0.000 0.198 59 E C 1.924 178.507 176.600 -0.028 0.000 1.007 59 E CA 2.152 58.531 56.400 -0.034 0.000 0.809 59 E CB -0.534 29.149 29.700 -0.029 0.000 0.749 59 E HN 0.454 nan 8.360 nan 0.000 0.450 60 A N -0.381 122.421 122.820 -0.030 0.000 1.930 60 A HA -0.123 4.204 4.320 0.012 0.000 0.217 60 A C 2.455 180.025 177.584 -0.024 0.000 1.175 60 A CA 2.315 54.338 52.037 -0.024 0.000 0.627 60 A CB -1.039 17.947 19.000 -0.024 0.000 0.815 60 A HN 0.521 nan 8.150 nan 0.000 0.443 61 T N -5.002 109.533 114.554 -0.033 0.000 3.057 61 T HA 0.399 4.757 4.350 0.012 0.000 0.254 61 T C 1.361 176.047 174.700 -0.024 0.000 1.094 61 T CA 1.139 63.221 62.100 -0.030 0.000 1.088 61 T CB 0.172 69.013 68.868 -0.044 0.000 0.934 61 T HN 1.711 nan 8.240 nan 0.000 0.497 62 G N 1.145 109.931 108.800 -0.023 0.000 2.132 62 G HA2 0.047 4.014 3.960 0.012 0.000 0.234 62 G HA3 0.047 4.014 3.960 0.012 0.000 0.234 62 G C 0.223 175.117 174.900 -0.010 0.000 0.989 62 G CA -0.096 44.995 45.100 -0.014 0.000 0.676 62 G HN 1.105 nan 8.290 nan 0.000 0.522 63 A N -0.130 122.678 122.820 -0.020 0.000 2.271 63 A HA 0.659 4.987 4.320 0.012 0.000 0.288 63 A C 0.435 178.030 177.584 0.019 0.000 1.094 63 A CA -0.118 51.914 52.037 -0.008 0.000 0.828 63 A CB 0.356 19.333 19.000 -0.038 0.000 1.091 63 A HN 0.837 nan 8.150 nan 0.000 0.493 64 H N 0.751 119.788 119.070 -0.054 0.000 2.864 64 H HA 0.077 4.640 4.556 0.012 0.000 0.281 64 H C 0.992 176.288 175.328 -0.054 0.000 1.093 64 H CA 0.507 56.526 56.048 -0.048 0.000 1.453 64 H CB 0.676 30.410 29.762 -0.048 0.000 1.462 64 H HN 0.988 nan 8.280 nan 0.000 0.480 65 E N 3.598 123.565 120.200 -0.388 0.000 2.048 65 E HA -0.321 4.036 4.350 0.012 0.000 0.202 65 E C 1.821 178.268 176.600 -0.255 0.000 1.021 65 E CA 1.715 57.948 56.400 -0.279 0.000 0.825 65 E CB 0.073 29.632 29.700 -0.236 0.000 0.756 65 E HN 0.840 nan 8.360 nan 0.000 0.454 66 Q N -0.538 119.034 119.800 -0.380 0.000 2.124 66 Q HA -0.150 4.197 4.340 0.012 0.000 0.202 66 Q C 2.002 177.996 176.000 -0.009 0.000 0.977 66 Q CA 2.093 57.813 55.803 -0.138 0.000 0.850 66 Q CB -0.004 28.694 28.738 -0.066 0.000 0.901 66 Q HN 0.307 nan 8.270 nan 0.000 0.429 67 T N 1.492 116.123 114.554 0.129 0.000 2.777 67 T HA -0.129 4.229 4.350 0.012 0.000 0.266 67 T C 1.693 176.387 174.700 -0.011 0.000 1.040 67 T CA 0.971 63.139 62.100 0.113 0.000 1.141 67 T CB -0.226 68.755 68.868 0.189 0.000 0.868 67 T HN 0.205 nan 8.240 nan 0.000 0.444 68 L N 1.718 122.911 121.223 -0.050 0.000 2.046 68 L HA 0.040 4.387 4.340 0.012 0.000 0.208 68 L C 2.478 179.233 176.870 -0.191 0.000 1.077 68 L CA 1.699 56.463 54.840 -0.127 0.000 0.747 68 L CB -0.720 41.254 42.059 -0.142 0.000 0.896 68 L HN 0.083 nan 8.230 nan 0.000 0.432 69 R N -0.624 119.789 120.500 -0.146 0.000 2.096 69 R HA -0.213 4.135 4.340 0.012 0.000 0.240 69 R C 2.418 178.666 176.300 -0.086 0.000 1.139 69 R CA 1.967 57.996 56.100 -0.119 0.000 0.952 69 R CB -0.169 30.124 30.300 -0.012 0.000 0.854 69 R HN 0.352 nan 8.270 nan 0.000 0.436 70 R N 0.054 120.524 120.500 -0.050 0.000 2.073 70 R HA -0.149 4.198 4.340 0.012 0.000 0.234 70 R C 2.403 178.671 176.300 -0.054 0.000 1.134 70 R CA 1.511 57.595 56.100 -0.027 0.000 0.952 70 R CB -0.553 29.737 30.300 -0.016 0.000 0.850 70 R HN 0.191 nan 8.270 nan 0.000 0.433 71 L N 0.989 122.157 121.223 -0.091 0.000 2.012 71 L HA -0.190 4.157 4.340 0.012 0.000 0.210 71 L C 2.043 178.837 176.870 -0.128 0.000 1.073 71 L CA 1.688 56.469 54.840 -0.098 0.000 0.748 71 L CB -0.293 41.698 42.059 -0.114 0.000 0.891 71 L HN 0.175 nan 8.230 nan 0.000 0.431 72 L N -1.197 119.853 121.223 -0.289 0.000 2.017 72 L HA -0.223 4.125 4.340 0.012 0.000 0.208 72 L C 2.793 179.556 176.870 -0.178 0.000 1.073 72 L CA 1.395 55.936 54.840 -0.499 0.000 0.745 72 L CB -0.636 40.610 42.059 -1.354 0.000 0.894 72 L HN 0.295 nan 8.230 nan 0.000 0.432 73 R N 0.281 120.768 120.500 -0.021 0.000 2.083 73 R HA -0.230 4.117 4.340 0.012 0.000 0.237 73 R C 2.344 178.713 176.300 0.115 0.000 1.137 73 R CA 1.802 58.018 56.100 0.192 0.000 0.951 73 R CB -0.364 30.036 30.300 0.166 0.000 0.851 73 R HN 0.201 nan 8.270 nan 0.000 0.434 74 L N 1.207 122.463 121.223 0.055 0.000 1.994 74 L HA -0.154 4.194 4.340 0.012 0.000 0.208 74 L C 2.100 179.011 176.870 0.067 0.000 1.071 74 L CA 1.656 56.529 54.840 0.055 0.000 0.745 74 L CB -0.601 41.480 42.059 0.035 0.000 0.892 74 L HN 0.199 nan 8.230 nan 0.000 0.431 75 L N -0.278 120.987 121.223 0.070 0.000 2.012 75 L HA -0.235 4.112 4.340 0.012 0.000 0.210 75 L C 2.687 179.638 176.870 0.135 0.000 1.073 75 L CA 1.461 56.365 54.840 0.106 0.000 0.748 75 L CB -0.912 41.263 42.059 0.193 0.000 0.891 75 L HN 0.442 nan 8.230 nan 0.000 0.431 76 A N -0.895 122.040 122.820 0.193 0.000 1.972 76 A HA -0.180 4.147 4.320 0.012 0.000 0.219 76 A C 2.276 179.933 177.584 0.121 0.000 1.169 76 A CA 2.116 54.277 52.037 0.206 0.000 0.635 76 A CB -0.803 18.380 19.000 0.304 0.000 0.810 76 A HN 0.420 nan 8.150 nan 0.000 0.446 77 T N -0.212 114.402 114.554 0.101 0.000 2.962 77 T HA -0.038 4.319 4.350 0.012 0.000 0.270 77 T C 1.538 176.264 174.700 0.044 0.000 1.088 77 T CA 1.566 63.706 62.100 0.066 0.000 1.127 77 T CB -0.321 68.584 68.868 0.061 0.000 0.883 77 T HN 0.659 nan 8.240 nan 0.000 0.493 78 V N -1.942 117.996 119.914 0.040 0.000 3.542 78 V HA 0.706 4.833 4.120 0.012 0.000 0.296 78 V C 1.446 177.540 176.094 -0.001 0.000 1.364 78 V CA 0.269 62.577 62.300 0.014 0.000 1.118 78 V CB -0.445 31.381 31.823 0.005 0.000 0.972 78 V HN 0.461 nan 8.190 nan 0.000 0.430 79 G N -0.035 108.772 108.800 0.012 0.000 2.184 79 G HA2 -0.171 3.797 3.960 0.012 0.000 0.206 79 G HA3 -0.171 3.797 3.960 0.012 0.000 0.206 79 G C -0.059 174.820 174.900 -0.036 0.000 0.995 79 G CA -0.111 44.987 45.100 -0.005 0.000 0.651 79 G HN 0.826 nan 8.290 nan 0.000 0.511 80 V N 1.611 121.497 119.914 -0.048 0.000 2.347 80 V HA 0.759 4.887 4.120 0.012 0.000 0.280 80 V C 0.612 176.639 176.094 -0.111 0.000 1.021 80 V CA -0.305 61.877 62.300 -0.197 0.000 0.847 80 V CB -0.217 31.449 31.823 -0.263 0.000 0.990 80 V HN 0.745 nan 8.190 nan 0.000 0.444 81 F N 1.713 121.679 119.950 0.026 0.000 2.183 81 F HA -0.176 4.358 4.527 0.011 0.000 0.318 81 F C 0.150 176.001 175.800 0.085 0.000 1.277 81 F CA 0.119 58.155 58.000 0.060 0.000 0.914 81 F CB -0.211 38.833 39.000 0.075 0.000 4.133 81 F HN 0.475 nan 8.300 nan 0.000 0.140 82 D N 1.078 121.664 120.400 0.311 0.000 2.192 82 D HA 0.221 4.868 4.640 0.012 0.000 0.246 82 D C -0.806 175.595 176.300 0.168 0.000 1.042 82 D CA -0.296 53.811 54.000 0.178 0.000 0.847 82 D CB 1.586 42.441 40.800 0.091 0.000 1.186 82 D HN 0.372 nan 8.370 nan 0.000 0.461 83 D N 2.402 122.846 120.400 0.073 0.000 2.316 83 D HA 0.087 4.734 4.640 0.012 0.000 0.245 83 D C 1.160 177.306 176.300 -0.257 0.000 1.171 83 D CA -0.292 53.578 54.000 -0.217 0.000 0.856 83 D CB 1.001 41.742 40.800 -0.098 0.000 1.090 83 D HN 0.293 nan 8.370 nan 0.000 0.476 84 L N 3.192 124.170 121.223 -0.409 0.000 2.291 84 L HA 0.052 4.400 4.340 0.012 0.000 0.214 84 L C 1.907 178.603 176.870 -0.291 0.000 1.120 84 L CA 0.826 55.464 54.840 -0.338 0.000 0.799 84 L CB -0.323 41.431 42.059 -0.509 0.000 0.925 84 L HN 0.771 nan 8.230 nan 0.000 0.446 85 G N 0.035 108.639 108.800 -0.328 0.000 2.225 85 G HA2 -0.296 3.671 3.960 0.012 0.000 0.254 85 G HA3 -0.296 3.671 3.960 0.012 0.000 0.254 85 G C 0.184 175.031 174.900 -0.089 0.000 0.988 85 G CA 0.508 45.513 45.100 -0.160 0.000 0.625 85 G HN 0.666 nan 8.290 nan 0.000 0.527 86 H N -2.335 116.655 119.070 -0.133 0.000 2.851 86 H HA 0.666 5.229 4.556 0.012 0.000 0.372 86 H C 0.306 175.570 175.328 -0.106 0.000 1.158 86 H CA -0.424 55.566 56.048 -0.097 0.000 1.159 86 H CB 1.377 31.098 29.762 -0.069 0.000 1.757 86 H HN -0.018 nan 8.280 nan 0.000 0.546 87 D N 1.010 121.423 120.400 0.021 0.000 3.012 87 D HA -0.218 4.429 4.640 0.012 0.000 0.222 87 D C -0.195 176.057 176.300 -0.081 0.000 1.167 87 D CA 1.682 55.682 54.000 0.001 0.000 0.854 87 D CB -0.882 39.976 40.800 0.098 0.000 1.107 87 D HN 0.979 nan 8.370 nan 0.000 0.421 88 D N -0.811 119.507 120.400 -0.137 0.000 2.870 88 D HA -0.208 4.439 4.640 0.012 0.000 0.228 88 D C -0.468 175.727 176.300 -0.176 0.000 1.147 88 D CA 0.663 54.591 54.000 -0.120 0.000 0.757 88 D CB -1.043 39.748 40.800 -0.015 0.000 1.091 88 D HN 0.504 nan 8.370 nan 0.000 0.429 89 L N 0.100 121.095 121.223 -0.379 0.000 2.325 89 L HA 0.609 4.957 4.340 0.012 0.000 0.279 89 L C 0.240 176.750 176.870 -0.601 0.000 1.054 89 L CA -0.711 53.924 54.840 -0.342 0.000 0.804 89 L CB 0.946 42.805 42.059 -0.334 0.000 1.200 89 L HN -0.099 nan 8.230 nan 0.000 0.436 90 F N 1.178 121.051 119.950 -0.129 0.000 2.563 90 F HA 0.771 5.306 4.527 0.013 0.000 0.316 90 F C 0.151 175.910 175.800 -0.068 0.000 1.076 90 F CA -0.602 57.332 58.000 -0.109 0.000 0.921 90 F CB 2.081 40.977 39.000 -0.174 0.000 1.209 90 F HN 0.418 nan 8.300 nan 0.000 0.462 91 A N 1.718 124.642 122.820 0.173 0.000 2.454 91 A HA 0.682 5.009 4.320 0.012 0.000 0.302 91 A C -1.019 176.712 177.584 0.246 0.000 1.079 91 A CA -0.839 51.285 52.037 0.145 0.000 0.731 91 A CB 1.550 20.596 19.000 0.077 0.000 1.299 91 A HN 0.675 nan 8.150 nan 0.000 0.413 92 Q N 0.803 120.731 119.800 0.212 0.000 2.386 92 Q HA 0.311 4.659 4.340 0.012 0.000 0.282 92 Q C 0.079 176.159 176.000 0.133 0.000 1.050 92 Q CA 0.903 56.836 55.803 0.216 0.000 0.918 92 Q CB 0.368 29.186 28.738 0.134 0.000 1.266 92 Q HN 0.920 nan 8.270 nan 0.000 0.423 93 N N 0.752 119.495 118.700 0.071 0.000 3.157 93 N HA 0.436 5.183 4.740 0.012 0.000 0.291 93 N C -0.452 175.045 175.510 -0.021 0.000 1.515 93 N CA -0.140 52.925 53.050 0.024 0.000 0.807 93 N CB 0.068 38.573 38.487 0.030 0.000 1.672 93 N HN 0.422 nan 8.380 nan 0.000 0.592 94 A N -0.159 122.647 122.820 -0.022 0.000 1.933 94 A HA 0.011 4.338 4.320 0.012 0.000 0.218 94 A C 1.928 179.475 177.584 -0.061 0.000 1.175 94 A CA 1.211 53.229 52.037 -0.031 0.000 0.628 94 A CB -0.995 17.994 19.000 -0.020 0.000 0.814 94 A HN 0.564 nan 8.150 nan 0.000 0.444 95 L N 0.014 121.182 121.223 -0.092 0.000 2.095 95 L HA -0.116 4.231 4.340 0.012 0.000 0.204 95 L C 2.966 179.717 176.870 -0.198 0.000 1.080 95 L CA 1.570 56.334 54.840 -0.128 0.000 0.759 95 L CB -0.531 41.448 42.059 -0.133 0.000 0.914 95 L HN 0.609 nan 8.230 nan 0.000 0.439 96 S N -0.004 115.518 115.700 -0.297 0.000 2.453 96 S HA -0.035 4.442 4.470 0.012 0.000 0.231 96 S C 2.115 176.602 174.600 -0.188 0.000 1.005 96 S CA 0.609 58.546 58.200 -0.438 0.000 0.949 96 S CB -0.141 62.499 63.200 -0.934 0.000 0.774 96 S HN 0.305 nan 8.310 nan 0.000 0.510 97 A N 1.870 124.631 122.820 -0.098 0.000 1.902 97 A HA 0.059 4.387 4.320 0.012 0.000 0.217 97 A C 2.323 179.887 177.584 -0.034 0.000 1.181 97 A CA 1.553 53.569 52.037 -0.035 0.000 0.623 97 A CB -1.296 17.696 19.000 -0.014 0.000 0.818 97 A HN 0.454 nan 8.150 nan 0.000 0.443 98 V N 0.061 119.946 119.914 -0.048 0.000 2.613 98 V HA -0.260 3.867 4.120 0.012 0.000 0.259 98 V C 2.064 178.139 176.094 -0.032 0.000 1.099 98 V CA 1.894 64.172 62.300 -0.037 0.000 1.115 98 V CB -0.680 31.115 31.823 -0.047 0.000 0.686 98 V HN 0.575 nan 8.190 nan 0.000 0.481 99 L N -0.825 120.369 121.223 -0.048 0.000 2.611 99 L HA 0.216 4.563 4.340 0.012 0.000 0.229 99 L C 0.559 177.430 176.870 0.002 0.000 1.137 99 L CA -0.048 54.774 54.840 -0.029 0.000 0.901 99 L CB -0.059 41.964 42.059 -0.060 0.000 1.098 99 L HN 0.246 nan 8.230 nan 0.000 0.456 100 L N 1.828 123.054 121.223 0.006 0.000 2.410 100 L HA 0.169 4.516 4.340 0.012 0.000 0.273 100 L C -1.867 175.016 176.870 0.022 0.000 1.152 100 L CA -1.813 53.040 54.840 0.021 0.000 0.855 100 L CB 0.345 42.417 42.059 0.022 0.000 1.129 100 L HN -0.172 nan 8.230 nan 0.000 0.463 101 P HA 0.021 nan 4.420 nan 0.000 0.259 101 P C -1.181 176.132 177.300 0.023 0.000 1.211 101 P CA 0.219 63.335 63.100 0.027 0.000 0.810 101 P CB 0.289 32.007 31.700 0.029 0.000 0.815 102 D N 4.761 125.174 120.400 0.021 0.000 2.763 102 D HA 0.162 4.810 4.640 0.012 0.000 0.235 102 D C -2.001 174.309 176.300 0.015 0.000 1.334 102 D CA -2.378 51.632 54.000 0.017 0.000 0.950 102 D CB 1.575 42.385 40.800 0.015 0.000 1.433 102 D HN 0.046 nan 8.370 nan 0.000 0.580 103 P HA -0.030 nan 4.420 nan 0.000 0.229 103 P C 0.627 177.931 177.300 0.005 0.000 1.150 103 P CA 0.486 63.591 63.100 0.007 0.000 0.765 103 P CB 0.300 32.003 31.700 0.006 0.000 0.783 104 A N -1.055 121.771 122.820 0.010 0.000 2.390 104 A HA 0.213 4.540 4.320 0.012 0.000 0.232 104 A C 1.064 178.657 177.584 0.015 0.000 1.233 104 A CA 0.051 52.095 52.037 0.012 0.000 0.907 104 A CB -0.109 18.899 19.000 0.013 0.000 0.967 104 A HN 0.170 nan 8.150 nan 0.000 0.512 105 S N 0.609 116.319 115.700 0.016 0.000 2.448 105 S HA 0.470 4.947 4.470 0.012 0.000 0.320 105 S C -1.864 172.750 174.600 0.023 0.000 1.071 105 S CA -1.595 56.616 58.200 0.019 0.000 1.113 105 S CB 1.044 64.254 63.200 0.016 0.000 0.972 105 S HN 0.076 nan 8.310 nan 0.000 0.465 106 P HA -0.120 nan 4.420 nan 0.000 0.214 106 P C 1.532 178.858 177.300 0.043 0.000 1.163 106 P CA 0.898 64.020 63.100 0.036 0.000 0.883 106 P CB 0.049 31.774 31.700 0.042 0.000 0.788 107 V N 0.081 120.015 119.914 0.034 0.000 2.343 107 V HA -0.245 3.882 4.120 0.012 0.000 0.247 107 V C 2.502 178.616 176.094 0.035 0.000 1.051 107 V CA 2.240 64.559 62.300 0.031 0.000 1.036 107 V CB -1.843 29.987 31.823 0.012 0.000 0.654 107 V HN 0.096 nan 8.190 nan 0.000 0.451 108 A N 1.014 123.850 122.820 0.027 0.000 1.877 108 A HA -0.236 4.091 4.320 0.012 0.000 0.216 108 A C 2.514 180.125 177.584 0.045 0.000 1.186 108 A CA 2.712 54.766 52.037 0.029 0.000 0.620 108 A CB -1.048 17.964 19.000 0.021 0.000 0.822 108 A HN 0.640 nan 8.150 nan 0.000 0.443 109 T N -2.623 111.959 114.554 0.048 0.000 2.812 109 T HA -0.133 4.224 4.350 0.012 0.000 0.264 109 T C 1.609 176.375 174.700 0.111 0.000 1.042 109 T CA 1.542 63.678 62.100 0.060 0.000 1.140 109 T CB -0.434 68.450 68.868 0.027 0.000 0.870 109 T HN 0.328 nan 8.240 nan 0.000 0.445 110 D N 1.955 122.425 120.400 0.118 0.000 2.117 110 D HA 0.056 4.703 4.640 0.012 0.000 0.197 110 D C 2.388 178.764 176.300 0.128 0.000 0.987 110 D CA 1.309 55.424 54.000 0.192 0.000 0.829 110 D CB -0.608 40.289 40.800 0.162 0.000 0.961 110 D HN 0.478 nan 8.370 nan 0.000 0.460 111 A N 0.364 123.232 122.820 0.079 0.000 1.908 111 A HA -0.191 4.136 4.320 0.012 0.000 0.218 111 A C 2.290 179.878 177.584 0.006 0.000 1.181 111 A CA 1.565 53.642 52.037 0.067 0.000 0.627 111 A CB -0.496 18.552 19.000 0.080 0.000 0.818 111 A HN 0.185 nan 8.150 nan 0.000 0.445 112 R N -2.198 118.328 120.500 0.044 0.000 2.115 112 R HA -0.024 4.323 4.340 0.012 0.000 0.226 112 R C 1.931 178.257 176.300 0.044 0.000 1.100 112 R CA 1.235 57.354 56.100 0.032 0.000 0.980 112 R CB -0.374 29.966 30.300 0.067 0.000 0.875 112 R HN 0.580 nan 8.270 nan 0.000 0.445 113 F N 2.062 121.968 119.950 -0.072 0.000 2.075 113 F HA -0.185 4.348 4.527 0.010 0.000 0.297 113 F C 1.846 177.453 175.800 -0.322 0.000 1.113 113 F CA 1.624 59.603 58.000 -0.035 0.000 1.218 113 F CB -0.474 38.603 39.000 0.128 0.000 0.984 113 F HN -0.058 nan 8.300 nan 0.000 0.472 114 Q N 0.013 119.413 119.800 -0.666 0.000 2.297 114 Q HA -0.131 4.216 4.340 0.012 0.000 0.208 114 Q C 2.298 177.702 176.000 -0.993 0.000 0.981 114 Q CA 1.154 56.235 55.803 -1.204 0.000 0.876 114 Q CB -0.484 27.700 28.738 -0.924 0.000 0.921 114 Q HN 0.526 nan 8.270 nan 0.000 0.446 115 A N 1.440 123.830 122.820 -0.717 0.000 1.969 115 A HA 0.105 4.433 4.320 0.012 0.000 0.218 115 A C 1.299 178.631 177.584 -0.420 0.000 1.169 115 A CA 0.669 52.397 52.037 -0.515 0.000 0.635 115 A CB -0.496 18.364 19.000 -0.235 0.000 0.810 115 A HN 0.358 nan 8.150 nan 0.000 0.445 116 A N 0.695 123.202 122.820 -0.522 0.000 2.567 116 A HA 0.351 4.678 4.320 0.012 0.000 0.240 116 A C -0.563 176.671 177.584 -0.584 0.000 1.053 116 A CA -0.350 51.261 52.037 -0.710 0.000 0.755 116 A CB 0.002 18.122 19.000 -1.466 0.000 0.978 116 A HN 0.327 nan 8.150 nan 0.000 0.507 117 P HA -0.174 nan 4.420 nan 0.000 0.216 117 P C 1.455 178.760 177.300 0.009 0.000 1.150 117 P CA 1.781 64.816 63.100 -0.108 0.000 0.837 117 P CB -0.244 31.433 31.700 -0.037 0.000 0.786 118 W N -0.575 120.785 121.300 0.100 0.000 2.425 118 W HA -0.091 4.577 4.660 0.013 0.000 0.277 118 W C 1.940 178.493 176.519 0.056 0.000 1.231 118 W CA 0.291 57.637 57.345 0.002 0.000 1.248 118 W CB -2.086 27.370 29.460 -0.006 0.000 1.117 118 W HN 0.097 nan 8.180 nan 0.000 0.568 119 H N 0.076 119.163 119.070 0.029 0.000 2.326 119 H HA -0.197 4.366 4.556 0.011 0.000 0.301 119 H C 2.107 177.576 175.328 0.236 0.000 1.081 119 H CA 2.132 58.251 56.048 0.119 0.000 1.334 119 H CB -1.074 28.471 29.762 -0.363 0.000 1.385 119 H HN 0.208 nan 8.280 nan 0.000 0.504 120 W N 2.221 123.629 121.300 0.179 0.000 2.358 120 W HA -0.160 4.506 4.660 0.010 0.000 0.303 120 W C 2.494 179.125 176.519 0.187 0.000 1.208 120 W CA 1.171 58.636 57.345 0.199 0.000 1.274 120 W CB -0.251 29.243 29.460 0.056 0.000 1.138 120 W HN 0.195 nan 8.180 nan 0.000 0.515 121 R N 0.505 121.143 120.500 0.231 0.000 2.148 121 R HA -0.114 4.234 4.340 0.012 0.000 0.227 121 R C 2.359 178.621 176.300 -0.063 0.000 1.103 121 R CA 1.319 57.460 56.100 0.069 0.000 0.983 121 R CB -0.399 29.928 30.300 0.045 0.000 0.874 121 R HN 0.108 nan 8.270 nan 0.000 0.451 122 A N -0.157 122.603 122.820 -0.100 0.000 1.898 122 A HA -0.158 4.169 4.320 0.012 0.000 0.216 122 A C 1.565 178.973 177.584 -0.293 0.000 1.181 122 A CA 0.956 52.855 52.037 -0.231 0.000 0.620 122 A CB -0.785 18.094 19.000 -0.202 0.000 0.819 122 A HN 0.516 nan 8.150 nan 0.000 0.442 123 W N 0.178 121.363 121.300 -0.192 0.000 2.465 123 W HA -0.032 4.635 4.660 0.011 0.000 0.268 123 W C 2.129 178.497 176.519 -0.252 0.000 1.242 123 W CA 1.003 58.199 57.345 -0.248 0.000 1.248 123 W CB -0.010 29.223 29.460 -0.378 0.000 1.118 123 W HN 0.538 nan 8.180 nan 0.000 0.587 124 E N 0.217 120.376 120.200 -0.067 0.000 2.160 124 E HA -0.229 4.128 4.350 0.012 0.000 0.195 124 E C 1.268 177.846 176.600 -0.036 0.000 0.991 124 E CA 1.036 57.403 56.400 -0.056 0.000 0.810 124 E CB 0.016 29.703 29.700 -0.023 0.000 0.742 124 E HN 0.178 nan 8.360 nan 0.000 0.466 125 Q N 0.418 120.177 119.800 -0.068 0.000 2.201 125 Q HA 0.055 4.402 4.340 0.012 0.000 0.236 125 Q C 1.404 177.376 176.000 -0.047 0.000 0.857 125 Q CA -0.178 55.593 55.803 -0.053 0.000 1.025 125 Q CB 0.764 29.447 28.738 -0.090 0.000 1.124 125 Q HN 0.266 nan 8.270 nan 0.000 0.473 126 L N 0.682 121.868 121.223 -0.062 0.000 2.129 126 L HA -0.185 4.162 4.340 0.012 0.000 0.212 126 L C 1.772 178.625 176.870 -0.029 0.000 1.087 126 L CA 2.029 56.821 54.840 -0.080 0.000 0.757 126 L CB -0.669 41.392 42.059 0.002 0.000 0.896 126 L HN 0.111 nan 8.230 nan 0.000 0.434 127 T N -1.614 112.942 114.554 0.003 0.000 2.720 127 T HA -0.291 4.066 4.350 0.012 0.000 0.268 127 T C 1.719 176.423 174.700 0.008 0.000 1.037 127 T CA 1.769 63.873 62.100 0.006 0.000 1.144 127 T CB -0.495 68.383 68.868 0.016 0.000 0.864 127 T HN 0.695 nan 8.240 nan 0.000 0.444 128 H N 0.999 120.035 119.070 -0.057 0.000 2.319 128 H HA -0.071 4.494 4.556 0.014 0.000 0.297 128 H C 2.352 177.639 175.328 -0.068 0.000 1.097 128 H CA 1.975 57.988 56.048 -0.057 0.000 1.285 128 H CB -0.295 29.430 29.762 -0.061 0.000 1.368 128 H HN 0.191 nan 8.280 nan 0.000 0.495 129 S N -0.671 115.029 115.700 0.001 0.000 2.382 129 S HA -0.127 4.350 4.470 0.012 0.000 0.228 129 S C 2.244 176.769 174.600 -0.125 0.000 1.027 129 S CA 1.151 59.307 58.200 -0.073 0.000 0.991 129 S CB -0.215 62.925 63.200 -0.100 0.000 0.823 129 S HN 0.289 nan 8.310 nan 0.000 0.469 130 V N 1.566 121.420 119.914 -0.099 0.000 2.809 130 V HA -0.016 4.111 4.120 0.012 0.000 0.256 130 V C 2.187 178.223 176.094 -0.097 0.000 1.080 130 V CA 1.257 63.508 62.300 -0.083 0.000 1.102 130 V CB -0.555 31.238 31.823 -0.051 0.000 0.705 130 V HN 0.365 nan 8.190 nan 0.000 0.475 131 R N 0.191 120.609 120.500 -0.136 0.000 2.240 131 R HA -0.018 4.329 4.340 0.012 0.000 0.203 131 R C 2.048 178.242 176.300 -0.177 0.000 1.011 131 R CA 1.531 57.545 56.100 -0.144 0.000 1.007 131 R CB -0.018 30.190 30.300 -0.153 0.000 0.911 131 R HN 0.714 nan 8.270 nan 0.000 0.468 132 T N -5.745 108.671 114.554 -0.230 0.000 2.966 132 T HA 0.199 4.556 4.350 0.012 0.000 0.254 132 T C 1.355 175.978 174.700 -0.128 0.000 0.961 132 T CA 0.479 62.452 62.100 -0.212 0.000 0.915 132 T CB 1.084 69.740 68.868 -0.354 0.000 1.186 132 T HN 0.228 nan 8.240 nan 0.000 0.505 133 G N 1.372 110.103 108.800 -0.115 0.000 2.162 133 G HA2 -0.228 3.740 3.960 0.012 0.000 0.260 133 G HA3 -0.228 3.740 3.960 0.012 0.000 0.260 133 G C -0.181 174.683 174.900 -0.060 0.000 0.976 133 G CA 0.504 45.558 45.100 -0.077 0.000 0.655 133 G HN 0.696 nan 8.290 nan 0.000 0.533 134 E N -0.336 119.828 120.200 -0.060 0.000 2.281 134 E HA 0.690 5.047 4.350 0.012 0.000 0.257 134 E C 0.638 177.242 176.600 0.006 0.000 0.971 134 E CA -0.520 55.876 56.400 -0.008 0.000 0.839 134 E CB 1.331 31.056 29.700 0.042 0.000 1.238 134 E HN 0.603 nan 8.360 nan 0.000 0.412 135 A N 0.700 123.520 122.820 -0.000 0.000 2.511 135 A HA 0.056 4.383 4.320 0.012 0.000 0.242 135 A C 0.924 178.522 177.584 0.023 0.000 1.069 135 A CA 0.330 52.343 52.037 -0.039 0.000 0.763 135 A CB 0.043 19.004 19.000 -0.065 0.000 1.001 135 A HN 0.618 nan 8.150 nan 0.000 0.498 136 S N 1.901 117.574 115.700 -0.045 0.000 2.524 136 S HA -0.049 4.428 4.470 0.012 0.000 0.216 136 S C 1.420 175.947 174.600 -0.121 0.000 0.987 136 S CA 0.662 58.811 58.200 -0.085 0.000 0.909 136 S CB -0.517 62.609 63.200 -0.123 0.000 0.781 136 S HN 0.718 nan 8.310 nan 0.000 0.521 137 F N 3.249 123.074 119.950 -0.209 0.000 2.126 137 F HA -0.127 4.406 4.527 0.009 0.000 0.299 137 F C 1.470 177.197 175.800 -0.122 0.000 1.096 137 F CA 1.963 59.867 58.000 -0.161 0.000 1.255 137 F CB -0.350 38.551 39.000 -0.165 0.000 0.997 137 F HN 0.169 nan 8.300 nan 0.000 0.479 138 D N -0.569 119.887 120.400 0.094 0.000 2.097 138 D HA -0.188 4.459 4.640 0.012 0.000 0.197 138 D C 2.270 178.509 176.300 -0.102 0.000 0.984 138 D CA 1.472 55.489 54.000 0.028 0.000 0.826 138 D CB -0.612 40.202 40.800 0.024 0.000 0.973 138 D HN 0.243 nan 8.370 nan 0.000 0.460 139 V N 0.144 119.937 119.914 -0.202 0.000 2.667 139 V HA -0.051 4.076 4.120 0.012 0.000 0.252 139 V C 1.916 177.890 176.094 -0.199 0.000 1.065 139 V CA 1.695 63.848 62.300 -0.246 0.000 1.083 139 V CB -0.252 31.291 31.823 -0.465 0.000 0.692 139 V HN 0.220 nan 8.190 nan 0.000 0.468 140 A N -0.011 122.677 122.820 -0.221 0.000 1.930 140 A HA -0.060 4.267 4.320 0.012 0.000 0.215 140 A C 1.846 179.312 177.584 -0.196 0.000 1.176 140 A CA 1.615 53.532 52.037 -0.200 0.000 0.632 140 A CB -0.329 18.532 19.000 -0.232 0.000 0.819 140 A HN 0.620 nan 8.150 nan 0.000 0.445 141 N N -1.604 116.936 118.700 -0.268 0.000 2.184 141 N HA 0.168 4.916 4.740 0.012 0.000 0.206 141 N C 1.067 176.503 175.510 -0.123 0.000 1.151 141 N CA 0.905 53.810 53.050 -0.242 0.000 0.878 141 N CB 0.853 39.037 38.487 -0.505 0.000 1.014 141 N HN 0.562 nan 8.380 nan 0.000 0.512 142 G N 0.794 109.537 108.800 -0.095 0.000 2.168 142 G HA2 -0.259 3.708 3.960 0.012 0.000 0.263 142 G HA3 -0.259 3.708 3.960 0.012 0.000 0.263 142 G C 0.225 175.114 174.900 -0.018 0.000 0.977 142 G CA 1.223 46.293 45.100 -0.049 0.000 0.659 142 G HN 0.555 nan 8.290 nan 0.000 0.533 143 T N -1.092 113.466 114.554 0.006 0.000 2.840 143 T HA 0.634 4.992 4.350 0.012 0.000 0.317 143 T C 0.202 175.011 174.700 0.183 0.000 1.401 143 T CA 0.890 63.027 62.100 0.061 0.000 1.028 143 T CB 1.257 70.151 68.868 0.042 0.000 1.317 143 T HN 1.472 nan 8.240 nan 0.000 0.495 144 S N 2.206 117.983 115.700 0.129 0.000 2.601 144 S HA 0.384 4.862 4.470 0.012 0.000 0.271 144 S C 1.149 175.699 174.600 -0.083 0.000 1.305 144 S CA -0.523 57.740 58.200 0.105 0.000 1.022 144 S CB 0.515 63.749 63.200 0.056 0.000 0.940 144 S HN 0.664 nan 8.310 nan 0.000 0.525 145 F N 1.368 120.887 119.950 -0.719 0.000 2.095 145 F HA -0.021 4.516 4.527 0.017 0.000 0.298 145 F C 1.596 176.960 175.800 -0.727 0.000 1.104 145 F CA 1.440 58.648 58.000 -1.321 0.000 1.232 145 F CB -0.444 37.531 39.000 -1.708 0.000 0.987 145 F HN 0.757 nan 8.300 nan 0.000 0.475 146 W N -0.189 120.960 121.300 -0.251 0.000 2.402 146 W HA -0.149 4.516 4.660 0.008 0.000 0.286 146 W C 2.526 178.947 176.519 -0.164 0.000 1.221 146 W CA 0.646 57.876 57.345 -0.192 0.000 1.257 146 W CB -0.478 28.989 29.460 0.011 0.000 1.120 146 W HN 0.077 nan 8.180 nan 0.000 0.551 147 Q N 0.837 120.669 119.800 0.052 0.000 2.083 147 Q HA -0.157 4.190 4.340 0.012 0.000 0.198 147 Q C 2.036 178.016 176.000 -0.033 0.000 0.969 147 Q CA 1.447 57.265 55.803 0.025 0.000 0.838 147 Q CB -0.714 28.031 28.738 0.011 0.000 0.900 147 Q HN 0.314 nan 8.270 nan 0.000 0.436 148 L N 0.248 121.369 121.223 -0.169 0.000 1.989 148 L HA -0.159 4.188 4.340 0.012 0.000 0.211 148 L C 2.207 178.903 176.870 -0.289 0.000 1.071 148 L CA 2.689 57.378 54.840 -0.252 0.000 0.749 148 L CB -1.197 40.634 42.059 -0.380 0.000 0.890 148 L HN 0.507 nan 8.230 nan 0.000 0.431 149 T N -4.107 110.176 114.554 -0.453 0.000 2.977 149 T HA -0.232 4.125 4.350 0.012 0.000 0.271 149 T C 1.989 176.651 174.700 -0.064 0.000 1.105 149 T CA 1.339 63.258 62.100 -0.303 0.000 1.116 149 T CB -0.791 67.815 68.868 -0.436 0.000 0.878 149 T HN 0.544 nan 8.240 nan 0.000 0.509 150 H N 1.568 120.591 119.070 -0.080 0.000 2.372 150 H HA 0.092 4.652 4.556 0.007 0.000 0.301 150 H C 1.949 177.264 175.328 -0.023 0.000 1.065 150 H CA 1.708 57.746 56.048 -0.017 0.000 1.364 150 H CB 0.149 29.914 29.762 0.005 0.000 1.406 150 H HN 0.601 nan 8.280 nan 0.000 0.521 151 E N -0.197 120.082 120.200 0.132 0.000 2.102 151 E HA -0.056 4.302 4.350 0.012 0.000 0.190 151 E C 0.209 176.819 176.600 0.016 0.000 0.971 151 E CA 0.249 56.704 56.400 0.092 0.000 0.821 151 E CB 0.401 30.146 29.700 0.075 0.000 0.777 151 E HN 0.200 nan 8.360 nan 0.000 0.460 152 D N 0.496 120.887 120.400 -0.014 0.000 2.412 152 D HA 0.090 4.737 4.640 0.012 0.000 0.224 152 D C -2.006 174.300 176.300 0.010 0.000 1.093 152 D CA -2.596 51.403 54.000 -0.003 0.000 0.850 152 D CB 1.499 42.286 40.800 -0.021 0.000 1.046 152 D HN -0.228 nan 8.370 nan 0.000 0.507 153 P HA -0.135 nan 4.420 nan 0.000 0.216 153 P C 1.123 178.472 177.300 0.081 0.000 1.150 153 P CA 1.253 64.375 63.100 0.037 0.000 0.837 153 P CB 0.368 32.086 31.700 0.031 0.000 0.786 154 K N -0.214 120.251 120.400 0.110 0.000 2.009 154 K HA -0.131 4.196 4.320 0.012 0.000 0.210 154 K C 2.190 178.943 176.600 0.255 0.000 1.049 154 K CA 1.810 58.199 56.287 0.168 0.000 0.929 154 K CB -0.921 31.690 32.500 0.185 0.000 0.714 154 K HN 0.063 nan 8.250 nan 0.000 0.440 155 A N 1.714 124.693 122.820 0.265 0.000 1.898 155 A HA -0.181 4.146 4.320 0.012 0.000 0.216 155 A C 2.182 179.907 177.584 0.234 0.000 1.181 155 A CA 1.475 53.719 52.037 0.345 0.000 0.620 155 A CB -0.499 18.451 19.000 -0.084 0.000 0.819 155 A HN 0.259 nan 8.150 nan 0.000 0.442 156 R N -0.165 120.398 120.500 0.106 0.000 2.096 156 R HA -0.226 4.121 4.340 0.012 0.000 0.240 156 R C 2.207 178.607 176.300 0.166 0.000 1.139 156 R CA 2.072 58.245 56.100 0.121 0.000 0.952 156 R CB -0.288 30.045 30.300 0.055 0.000 0.854 156 R HN 0.732 nan 8.270 nan 0.000 0.436 157 E N 0.142 120.428 120.200 0.143 0.000 2.047 157 E HA -0.176 4.181 4.350 0.012 0.000 0.191 157 E C 2.083 178.759 176.600 0.128 0.000 0.987 157 E CA 1.123 57.589 56.400 0.111 0.000 0.799 157 E CB -0.076 29.683 29.700 0.099 0.000 0.752 157 E HN 0.375 nan 8.360 nan 0.000 0.449 158 L N 0.195 121.560 121.223 0.237 0.000 1.990 158 L HA -0.198 4.150 4.340 0.012 0.000 0.213 158 L C 2.558 179.503 176.870 0.125 0.000 1.072 158 L CA 1.592 56.605 54.840 0.289 0.000 0.755 158 L CB -0.618 41.771 42.059 0.551 0.000 0.889 158 L HN 0.272 nan 8.230 nan 0.000 0.432 159 F N 1.298 121.243 119.950 -0.010 0.000 2.102 159 F HA -0.198 4.336 4.527 0.011 0.000 0.298 159 F C 2.408 178.100 175.800 -0.180 0.000 1.105 159 F CA 1.626 59.393 58.000 -0.388 0.000 1.239 159 F CB -0.487 38.490 39.000 -0.037 0.000 0.991 159 F HN 0.078 nan 8.300 nan 0.000 0.474 160 N N 0.641 119.159 118.700 -0.303 0.000 2.223 160 N HA -0.145 4.603 4.740 0.012 0.000 0.185 160 N C 1.999 177.335 175.510 -0.290 0.000 1.016 160 N CA 1.195 54.023 53.050 -0.370 0.000 0.863 160 N CB -0.408 38.026 38.487 -0.089 0.000 0.983 160 N HN 0.375 nan 8.380 nan 0.000 0.429 161 R N 0.652 121.046 120.500 -0.176 0.000 2.075 161 R HA 0.096 4.443 4.340 0.012 0.000 0.232 161 R C 1.125 177.338 176.300 -0.144 0.000 1.126 161 R CA 0.868 56.903 56.100 -0.109 0.000 0.963 161 R CB -0.221 30.060 30.300 -0.031 0.000 0.858 161 R HN 0.142 nan 8.270 nan 0.000 0.435 165 S N 0.951 116.632 115.700 -0.032 0.000 2.368 165 S HA -0.011 4.466 4.470 0.012 0.000 0.224 165 S C 2.231 176.842 174.600 0.018 0.000 1.029 165 S CA 1.780 59.979 58.200 -0.002 0.000 0.988 165 S CB -0.434 62.766 63.200 0.001 0.000 0.838 165 S HN 0.325 nan 8.310 nan 0.000 0.462 166 V N 1.803 121.731 119.914 0.023 0.000 2.343 166 V HA -0.131 3.996 4.120 0.012 0.000 0.247 166 V C 3.014 179.157 176.094 0.082 0.000 1.051 166 V CA 2.027 64.362 62.300 0.059 0.000 1.036 166 V CB -1.144 30.719 31.823 0.066 0.000 0.654 166 V HN 0.676 nan 8.190 nan 0.000 0.451 167 S N -0.684 115.058 115.700 0.071 0.000 2.383 167 S HA -0.124 4.354 4.470 0.012 0.000 0.227 167 S C 1.947 176.575 174.600 0.048 0.000 1.026 167 S CA 1.426 59.670 58.200 0.074 0.000 0.981 167 S CB -0.304 62.929 63.200 0.056 0.000 0.818 167 S HN 0.473 nan 8.310 nan 0.000 0.472 168 L N 0.854 122.097 121.223 0.033 0.000 1.971 168 L HA -0.171 4.177 4.340 0.012 0.000 0.215 168 L C 2.785 179.677 176.870 0.035 0.000 1.072 168 L CA 1.941 56.797 54.840 0.027 0.000 0.758 168 L CB -1.270 40.801 42.059 0.019 0.000 0.889 168 L HN 0.331 nan 8.230 nan 0.000 0.433 169 T N -0.799 113.780 114.554 0.041 0.000 2.624 169 T HA -0.279 4.078 4.350 0.012 0.000 0.268 169 T C 1.716 176.449 174.700 0.055 0.000 1.041 169 T CA 1.934 64.063 62.100 0.048 0.000 1.159 169 T CB -0.331 68.570 68.868 0.054 0.000 0.863 169 T HN 0.418 nan 8.240 nan 0.000 0.434 170 E N 0.858 121.097 120.200 0.066 0.000 2.106 170 E HA 0.006 4.363 4.350 0.012 0.000 0.192 170 E C 2.631 179.262 176.600 0.051 0.000 0.984 170 E CA 0.753 57.192 56.400 0.066 0.000 0.806 170 E CB -0.273 29.477 29.700 0.082 0.000 0.750 170 E HN 0.485 nan 8.360 nan 0.000 0.458 171 A N 1.407 124.253 122.820 0.043 0.000 1.892 171 A HA -0.206 4.122 4.320 0.012 0.000 0.218 171 A C 2.445 180.061 177.584 0.054 0.000 1.188 171 A CA 2.060 54.119 52.037 0.036 0.000 0.631 171 A CB -1.415 17.599 19.000 0.023 0.000 0.822 171 A HN 0.386 nan 8.150 nan 0.000 0.447 172 G N -1.049 107.782 108.800 0.052 0.000 2.421 172 G HA2 -0.242 3.725 3.960 0.012 0.000 0.216 172 G HA3 -0.242 3.725 3.960 0.012 0.000 0.216 172 G C 1.564 176.512 174.900 0.079 0.000 1.171 172 G CA 1.023 46.159 45.100 0.061 0.000 0.775 172 G HN 0.668 nan 8.290 nan 0.000 0.543 173 Q N -0.302 119.542 119.800 0.072 0.000 2.234 173 Q HA -0.031 4.316 4.340 0.012 0.000 0.206 173 Q C 2.673 178.734 176.000 0.102 0.000 0.980 173 Q CA 1.070 56.920 55.803 0.078 0.000 0.869 173 Q CB -0.108 28.669 28.738 0.066 0.000 0.912 173 Q HN 0.425 nan 8.270 nan 0.000 0.436 174 V N 0.295 120.277 119.914 0.113 0.000 2.379 174 V HA -0.109 4.018 4.120 0.012 0.000 0.243 174 V C 2.160 178.425 176.094 0.286 0.000 1.035 174 V CA 1.424 63.817 62.300 0.155 0.000 1.035 174 V CB -0.686 31.206 31.823 0.114 0.000 0.673 174 V HN 0.357 nan 8.190 nan 0.000 0.457 175 A N 0.040 123.025 122.820 0.275 0.000 2.024 175 A HA -0.075 4.252 4.320 0.012 0.000 0.220 175 A C 2.083 179.929 177.584 0.436 0.000 1.164 175 A CA 2.041 54.324 52.037 0.410 0.000 0.643 175 A CB -0.447 18.706 19.000 0.255 0.000 0.806 175 A HN 0.607 nan 8.150 nan 0.000 0.451 176 A N -1.783 121.193 122.820 0.260 0.000 2.348 176 A HA 0.637 4.964 4.320 0.012 0.000 0.224 176 A C 1.709 179.391 177.584 0.163 0.000 1.227 176 A CA 0.916 53.067 52.037 0.191 0.000 0.885 176 A CB -0.220 18.847 19.000 0.111 0.000 0.933 176 A HN 0.878 nan 8.150 nan 0.000 0.506 177 A N -1.811 121.123 122.820 0.190 0.000 2.229 177 A HA 0.505 4.832 4.320 0.012 0.000 0.211 177 A C 0.143 177.819 177.584 0.153 0.000 1.193 177 A CA 0.230 52.351 52.037 0.140 0.000 0.879 177 A CB 0.073 19.145 19.000 0.121 0.000 0.911 177 A HN 0.432 nan 8.150 nan 0.000 0.492 178 Y N -0.221 120.068 120.300 -0.017 0.000 2.477 178 Y HA 0.522 5.080 4.550 0.012 0.000 0.347 178 Y C -1.460 174.256 175.900 -0.307 0.000 0.981 178 Y CA -1.765 56.179 58.100 -0.260 0.000 1.033 178 Y CB 1.577 39.715 38.460 -0.536 0.000 1.245 178 Y HN 0.077 nan 8.280 nan 0.000 0.455 179 D N 4.310 124.196 120.400 -0.856 0.000 2.411 179 D HA 0.150 4.797 4.640 0.012 0.000 0.225 179 D C -0.322 175.544 176.300 -0.723 0.000 1.156 179 D CA 0.182 53.881 54.000 -0.501 0.000 0.874 179 D CB -0.044 40.549 40.800 -0.345 0.000 1.034 179 D HN 0.471 nan 8.370 nan 0.000 0.502 180 F N 1.018 120.607 119.950 -0.601 0.000 2.765 180 F HA 0.001 4.536 4.527 0.012 0.000 0.302 180 F C 2.496 178.014 175.800 -0.470 0.000 1.111 180 F CA -0.067 57.511 58.000 -0.703 0.000 1.359 180 F CB -0.085 38.183 39.000 -1.220 0.000 1.097 180 F HN 0.321 nan 8.300 nan 0.000 0.577 181 S N -0.601 115.104 115.700 0.009 0.000 2.469 181 S HA -0.089 4.388 4.470 0.012 0.000 0.238 181 S C 2.049 176.699 174.600 0.083 0.000 0.998 181 S CA 1.052 59.388 58.200 0.226 0.000 0.957 181 S CB -0.710 62.657 63.200 0.279 0.000 0.764 181 S HN 0.353 nan 8.310 nan 0.000 0.514 182 G N 0.122 108.924 108.800 0.003 0.000 3.189 182 G HA2 0.590 4.558 3.960 0.012 0.000 0.225 182 G HA3 0.590 4.558 3.960 0.012 0.000 0.225 182 G C 0.157 175.059 174.900 0.002 0.000 1.159 182 G CA 0.134 45.231 45.100 -0.004 0.000 0.763 182 G HN 0.763 nan 8.290 nan 0.000 0.549 183 A N -0.428 122.399 122.820 0.012 0.000 2.324 183 A HA 0.801 5.128 4.320 0.012 0.000 0.330 183 A C 1.009 178.599 177.584 0.009 0.000 1.165 183 A CA 0.197 52.243 52.037 0.016 0.000 0.813 183 A CB 1.646 20.674 19.000 0.047 0.000 1.197 183 A HN 0.497 nan 8.150 nan 0.000 0.484 184 A N 1.133 123.950 122.820 -0.005 0.000 1.973 184 A HA 0.402 4.729 4.320 0.012 0.000 0.210 184 A C 1.112 178.677 177.584 -0.032 0.000 1.200 184 A CA 1.579 53.610 52.037 -0.009 0.000 0.707 184 A CB -0.233 18.762 19.000 -0.008 0.000 0.862 184 A HN 1.342 nan 8.150 nan 0.000 0.461 185 T N -2.231 112.290 114.554 -0.055 0.000 2.848 185 T HA 0.741 5.098 4.350 0.012 0.000 0.285 185 T C -0.657 173.956 174.700 -0.146 0.000 0.995 185 T CA -0.036 62.008 62.100 -0.094 0.000 0.970 185 T CB 1.630 70.440 68.868 -0.097 0.000 0.976 185 T HN 0.845 nan 8.240 nan 0.000 0.441 186 A N 2.528 125.249 122.820 -0.166 0.000 2.355 186 A HA 0.802 5.130 4.320 0.012 0.000 0.317 186 A C -0.735 176.710 177.584 -0.232 0.000 1.094 186 A CA -0.832 51.078 52.037 -0.211 0.000 0.764 186 A CB 1.647 20.527 19.000 -0.200 0.000 1.230 186 A HN 0.863 nan 8.150 nan 0.000 0.448 187 V N 2.357 122.084 119.914 -0.311 0.000 2.487 187 V HA 0.351 4.479 4.120 0.012 0.000 0.298 187 V C -0.996 175.048 176.094 -0.083 0.000 1.028 187 V CA -0.513 61.668 62.300 -0.198 0.000 0.860 187 V CB 1.829 33.514 31.823 -0.230 0.000 0.991 187 V HN 0.925 nan 8.190 nan 0.000 0.427 188 D N 4.741 125.116 120.400 -0.042 0.000 2.412 188 D HA 0.397 5.044 4.640 0.012 0.000 0.224 188 D C -0.223 176.095 176.300 0.030 0.000 1.093 188 D CA -0.240 53.751 54.000 -0.015 0.000 0.850 188 D CB 0.924 41.705 40.800 -0.032 0.000 1.046 188 D HN 0.414 nan 8.370 nan 0.000 0.507 189 I N 2.767 123.363 120.570 0.042 0.000 2.379 189 I HA 0.247 4.425 4.170 0.012 0.000 0.290 189 I C 1.431 177.608 176.117 0.101 0.000 1.063 189 I CA -0.368 60.973 61.300 0.068 0.000 1.351 189 I CB 1.035 39.029 38.000 -0.010 0.000 1.410 189 I HN 0.643 nan 8.210 nan 0.000 0.505 190 G N 4.593 113.526 108.800 0.221 0.000 2.314 190 G HA2 -0.227 3.740 3.960 0.012 0.000 0.292 190 G HA3 -0.227 3.740 3.960 0.012 0.000 0.292 190 G C 0.796 175.788 174.900 0.155 0.000 1.059 190 G CA 0.220 45.481 45.100 0.267 0.000 0.982 190 G HN 1.040 nan 8.290 nan 0.000 0.505 191 G N -0.514 108.344 108.800 0.096 0.000 3.061 191 G HA2 0.526 4.493 3.960 0.012 0.000 0.208 191 G HA3 0.526 4.493 3.960 0.012 0.000 0.208 191 G C 1.630 176.568 174.900 0.063 0.000 1.175 191 G CA 1.317 46.453 45.100 0.060 0.000 0.812 191 G HN 2.053 nan 8.290 nan 0.000 0.523 192 G N 0.702 109.557 108.800 0.091 0.000 2.583 192 G HA2 -0.367 3.600 3.960 0.012 0.000 0.292 192 G HA3 -0.367 3.600 3.960 0.012 0.000 0.292 192 G C 1.038 175.963 174.900 0.042 0.000 1.203 192 G CA 0.409 45.557 45.100 0.080 0.000 0.987 192 G HN 0.459 nan 8.290 nan 0.000 0.554 193 R N 1.591 122.102 120.500 0.018 0.000 2.299 193 R HA 0.354 4.701 4.340 0.012 0.000 0.197 193 R C 1.941 178.243 176.300 0.004 0.000 0.971 193 R CA 1.246 57.350 56.100 0.006 0.000 1.030 193 R CB -0.065 30.230 30.300 -0.009 0.000 0.932 193 R HN 1.984 nan 8.270 nan 0.000 0.477 194 G N 0.270 109.074 108.800 0.006 0.000 2.148 194 G HA2 -0.273 3.694 3.960 0.012 0.000 0.203 194 G HA3 -0.273 3.694 3.960 0.012 0.000 0.203 194 G C 0.823 175.718 174.900 -0.008 0.000 0.993 194 G CA 0.428 45.527 45.100 -0.002 0.000 0.661 194 G HN 0.396 nan 8.290 nan 0.000 0.518 195 S N -0.973 114.726 115.700 -0.003 0.000 2.406 195 S HA 0.315 4.793 4.470 0.012 0.000 0.228 195 S C 1.573 176.168 174.600 -0.007 0.000 1.020 195 S CA 1.138 59.336 58.200 -0.002 0.000 0.965 195 S CB 0.137 63.340 63.200 0.004 0.000 0.798 195 S HN 1.383 nan 8.310 nan 0.000 0.488 199 A N 0.294 123.105 122.820 -0.016 0.000 1.933 199 A HA 0.145 4.472 4.320 0.012 0.000 0.218 199 A C 2.014 179.606 177.584 0.014 0.000 1.175 199 A CA 2.294 54.334 52.037 0.005 0.000 0.628 199 A CB -0.751 18.259 19.000 0.018 0.000 0.814 199 A HN 0.886 nan 8.150 nan 0.000 0.444 200 V N -0.070 119.815 119.914 -0.048 0.000 2.407 200 V HA -0.173 3.954 4.120 0.012 0.000 0.245 200 V C 2.501 178.593 176.094 -0.003 0.000 1.041 200 V CA 1.578 63.813 62.300 -0.109 0.000 1.040 200 V CB -0.736 30.800 31.823 -0.479 0.000 0.671 200 V HN 0.544 nan 8.190 nan 0.000 0.455 201 L N -0.163 121.033 121.223 -0.044 0.000 2.046 201 L HA -0.170 4.178 4.340 0.012 0.000 0.208 201 L C 2.389 179.278 176.870 0.032 0.000 1.077 201 L CA 1.496 56.334 54.840 -0.003 0.000 0.747 201 L CB -0.730 41.311 42.059 -0.030 0.000 0.896 201 L HN 0.326 nan 8.230 nan 0.000 0.432 202 D N 0.431 120.840 120.400 0.014 0.000 2.097 202 D HA -0.159 4.489 4.640 0.012 0.000 0.195 202 D C 2.177 178.464 176.300 -0.022 0.000 0.989 202 D CA 1.634 55.633 54.000 -0.001 0.000 0.827 202 D CB -0.033 40.764 40.800 -0.005 0.000 0.966 202 D HN 0.292 nan 8.370 nan 0.000 0.456 203 A N -0.693 122.123 122.820 -0.007 0.000 2.119 203 A HA -0.002 4.325 4.320 0.012 0.000 0.217 203 A C 0.394 177.696 177.584 -0.469 0.000 1.153 203 A CA 0.471 52.403 52.037 -0.175 0.000 0.692 203 A CB -0.237 18.713 19.000 -0.084 0.000 0.799 203 A HN 0.157 nan 8.150 nan 0.000 0.458 204 F N -1.339 118.602 119.950 -0.016 0.000 2.686 204 F HA 0.342 4.876 4.527 0.012 0.000 0.365 204 F C -2.064 173.725 175.800 -0.019 0.000 1.196 204 F CA -1.827 56.171 58.000 -0.003 0.000 1.198 204 F CB 1.595 40.602 39.000 0.011 0.000 1.454 204 F HN -0.026 nan 8.300 nan 0.000 0.539 205 P HA -0.156 nan 4.420 nan 0.000 0.218 205 P C 1.727 179.059 177.300 0.052 0.000 1.146 205 P CA 1.375 64.498 63.100 0.038 0.000 0.813 205 P CB 0.315 32.019 31.700 0.006 0.000 0.778 206 G N -1.448 107.402 108.800 0.083 0.000 2.603 206 G HA2 -0.008 3.960 3.960 0.012 0.000 0.214 206 G HA3 -0.008 3.960 3.960 0.012 0.000 0.214 206 G C 0.408 175.343 174.900 0.058 0.000 1.140 206 G CA -0.092 45.047 45.100 0.066 0.000 0.800 206 G HN 0.207 nan 8.290 nan 0.000 0.533 207 L N 1.255 122.525 121.223 0.080 0.000 2.461 207 L HA 0.432 4.780 4.340 0.012 0.000 0.272 207 L C 0.359 177.226 176.870 -0.006 0.000 1.197 207 L CA -0.221 54.635 54.840 0.027 0.000 0.836 207 L CB 0.636 42.697 42.059 0.004 0.000 1.105 207 L HN 0.099 nan 8.230 nan 0.000 0.477 208 R N 2.623 123.105 120.500 -0.030 0.000 2.873 208 R HA 0.853 5.200 4.340 0.012 0.000 0.264 208 R C -0.644 175.615 176.300 -0.068 0.000 1.026 208 R CA -0.754 55.322 56.100 -0.039 0.000 1.002 208 R CB 1.758 32.039 30.300 -0.031 0.000 1.174 208 R HN 0.830 nan 8.270 nan 0.000 0.488 209 G N -0.186 108.574 108.800 -0.066 0.000 2.690 209 G HA2 0.534 4.502 3.960 0.012 0.000 0.291 209 G HA3 0.534 4.502 3.960 0.012 0.000 0.291 209 G C -1.363 173.497 174.900 -0.067 0.000 1.403 209 G CA -0.373 44.676 45.100 -0.085 0.000 0.864 209 G HN 0.351 nan 8.290 nan 0.000 0.480 210 T N 0.472 114.983 114.554 -0.073 0.000 2.881 210 T HA 0.530 4.887 4.350 0.012 0.000 0.290 210 T C -0.920 173.760 174.700 -0.034 0.000 1.000 210 T CA -0.338 61.734 62.100 -0.046 0.000 0.978 210 T CB 1.754 70.599 68.868 -0.040 0.000 0.997 210 T HN 0.502 nan 8.240 nan 0.000 0.443 211 L N 4.096 125.309 121.223 -0.017 0.000 2.305 211 L HA 0.723 5.071 4.340 0.012 0.000 0.284 211 L C -1.257 175.621 176.870 0.013 0.000 1.013 211 L CA -1.018 53.820 54.840 -0.003 0.000 0.819 211 L CB 1.006 43.062 42.059 -0.006 0.000 1.227 211 L HN 0.545 nan 8.230 nan 0.000 0.417 212 L N 5.230 126.473 121.223 0.033 0.000 2.287 212 L HA 0.659 5.006 4.340 0.012 0.000 0.287 212 L C -0.805 176.097 176.870 0.053 0.000 1.022 212 L CA 0.485 55.351 54.840 0.044 0.000 0.814 212 L CB 0.985 43.085 42.059 0.068 0.000 1.217 212 L HN 0.609 nan 8.230 nan 0.000 0.420 213 E N 3.353 123.566 120.200 0.022 0.000 2.412 213 E HA 0.378 4.735 4.350 0.012 0.000 0.279 213 E C -0.992 175.591 176.600 -0.028 0.000 0.984 213 E CA -0.877 55.530 56.400 0.012 0.000 0.788 213 E CB 2.058 31.776 29.700 0.031 0.000 1.277 213 E HN 0.592 nan 8.360 nan 0.000 0.455 214 R N 1.425 121.894 120.500 -0.052 0.000 2.697 214 R HA -0.012 4.335 4.340 0.012 0.000 0.265 214 R C -1.547 174.749 176.300 -0.008 0.000 1.009 214 R CA -0.764 55.316 56.100 -0.034 0.000 1.099 214 R CB -0.150 30.151 30.300 0.001 0.000 0.965 214 R HN 0.172 nan 8.270 nan 0.000 0.428 215 P HA -0.141 nan 4.420 nan 0.000 0.215 215 P C -1.496 175.782 177.300 -0.036 0.000 1.157 215 P CA 1.623 64.720 63.100 -0.004 0.000 0.874 215 P CB -0.548 31.166 31.700 0.024 0.000 0.790 216 P HA -0.064 nan 4.420 nan 0.000 0.219 216 P C 1.528 178.799 177.300 -0.048 0.000 1.150 216 P CA 0.972 64.010 63.100 -0.102 0.000 0.814 216 P CB -0.411 31.160 31.700 -0.216 0.000 0.787 217 V N 0.142 120.041 119.914 -0.026 0.000 2.453 217 V HA -0.158 3.970 4.120 0.012 0.000 0.247 217 V C 2.498 178.598 176.094 0.009 0.000 1.048 217 V CA 1.871 64.178 62.300 0.012 0.000 1.049 217 V CB -1.667 30.187 31.823 0.051 0.000 0.672 217 V HN 0.083 nan 8.190 nan 0.000 0.457 218 A N -0.158 122.663 122.820 0.002 0.000 1.908 218 A HA -0.218 4.109 4.320 0.012 0.000 0.218 218 A C 2.180 179.763 177.584 -0.001 0.000 1.181 218 A CA 1.717 53.756 52.037 0.002 0.000 0.627 218 A CB -0.423 18.577 19.000 -0.001 0.000 0.818 218 A HN 0.485 nan 8.150 nan 0.000 0.445 219 E N 0.141 120.338 120.200 -0.006 0.000 2.153 219 E HA -0.180 4.177 4.350 0.012 0.000 0.194 219 E C 1.860 178.458 176.600 -0.003 0.000 0.988 219 E CA 1.380 57.776 56.400 -0.006 0.000 0.811 219 E CB -0.380 29.314 29.700 -0.010 0.000 0.746 219 E HN 0.800 nan 8.360 nan 0.000 0.466 220 E N 0.497 120.696 120.200 -0.001 0.000 2.150 220 E HA -0.082 4.275 4.350 0.012 0.000 0.193 220 E C 1.994 178.595 176.600 0.002 0.000 0.985 220 E CA 0.858 57.259 56.400 0.002 0.000 0.814 220 E CB -0.047 29.656 29.700 0.005 0.000 0.752 220 E HN 0.196 nan 8.360 nan 0.000 0.466 221 A N 1.569 124.391 122.820 0.003 0.000 1.898 221 A HA -0.185 4.142 4.320 0.012 0.000 0.216 221 A C 2.100 179.683 177.584 -0.001 0.000 1.181 221 A CA 1.302 53.341 52.037 0.002 0.000 0.620 221 A CB -0.395 18.608 19.000 0.006 0.000 0.819 221 A HN 0.067 nan 8.150 nan 0.000 0.442 222 R N -0.209 120.290 120.500 -0.001 0.000 2.091 222 R HA -0.191 4.156 4.340 0.012 0.000 0.238 222 R C 2.223 178.522 176.300 -0.002 0.000 1.136 222 R CA 1.838 57.936 56.100 -0.003 0.000 0.959 222 R CB -0.290 30.008 30.300 -0.003 0.000 0.856 222 R HN 0.736 nan 8.270 nan 0.000 0.437 223 E N 0.508 120.707 120.200 -0.001 0.000 2.051 223 E HA -0.226 4.132 4.350 0.012 0.000 0.192 223 E C 2.139 178.739 176.600 -0.001 0.000 0.991 223 E CA 1.231 57.630 56.400 -0.001 0.000 0.799 223 E CB -0.141 29.559 29.700 0.001 0.000 0.748 223 E HN 0.405 nan 8.360 nan 0.000 0.449 224 L N 0.615 121.837 121.223 -0.001 0.000 1.994 224 L HA -0.200 4.147 4.340 0.012 0.000 0.208 224 L C 2.453 179.320 176.870 -0.004 0.000 1.071 224 L CA 1.237 56.075 54.840 -0.002 0.000 0.745 224 L CB -0.155 41.903 42.059 -0.003 0.000 0.892 224 L HN 0.213 nan 8.230 nan 0.000 0.431 225 L N -0.896 120.324 121.223 -0.005 0.000 2.093 225 L HA -0.178 4.170 4.340 0.012 0.000 0.208 225 L C 2.453 179.319 176.870 -0.007 0.000 1.085 225 L CA 1.646 56.481 54.840 -0.008 0.000 0.755 225 L CB -0.731 41.321 42.059 -0.010 0.000 0.904 225 L HN 0.276 nan 8.230 nan 0.000 0.435 226 T N -0.614 113.937 114.554 -0.005 0.000 2.737 226 T HA -0.107 4.250 4.350 0.012 0.000 0.265 226 T C 1.868 176.566 174.700 -0.003 0.000 1.038 226 T CA 1.265 63.363 62.100 -0.004 0.000 1.144 226 T CB -0.602 68.264 68.868 -0.003 0.000 0.866 226 T HN 0.529 nan 8.240 nan 0.000 0.434 227 G N 1.205 110.003 108.800 -0.002 0.000 2.462 227 G HA2 -0.210 3.757 3.960 0.012 0.000 0.220 227 G HA3 -0.210 3.757 3.960 0.012 0.000 0.220 227 G C 1.482 176.381 174.900 -0.002 0.000 1.121 227 G CA 0.271 45.371 45.100 -0.001 0.000 0.758 227 G HN 0.416 nan 8.290 nan 0.000 0.559 228 R N -0.356 120.142 120.500 -0.003 0.000 2.466 228 R HA 0.305 4.652 4.340 0.012 0.000 0.279 228 R C 1.421 177.719 176.300 -0.005 0.000 0.976 228 R CA 0.349 56.447 56.100 -0.004 0.000 1.081 228 R CB 0.295 30.592 30.300 -0.004 0.000 1.215 228 R HN 0.282 nan 8.270 nan 0.000 0.546 229 G N 1.073 109.870 108.800 -0.005 0.000 2.198 229 G HA2 -0.263 3.705 3.960 0.012 0.000 0.260 229 G HA3 -0.263 3.705 3.960 0.012 0.000 0.260 229 G C 0.375 175.271 174.900 -0.006 0.000 1.025 229 G CA 0.056 45.153 45.100 -0.005 0.000 0.769 229 G HN 0.359 nan 8.290 nan 0.000 0.507 230 L N -0.696 120.523 121.223 -0.008 0.000 2.766 230 L HA 0.430 4.777 4.340 0.012 0.000 0.242 230 L C 2.695 179.559 176.870 -0.011 0.000 1.136 230 L CA 0.631 55.465 54.840 -0.010 0.000 0.933 230 L CB -0.004 42.047 42.059 -0.013 0.000 1.241 230 L HN 0.281 nan 8.230 nan 0.000 0.522 231 A N 1.337 124.152 122.820 -0.009 0.000 1.958 231 A HA -0.287 4.040 4.320 0.012 0.000 0.221 231 A C 1.925 179.503 177.584 -0.009 0.000 1.178 231 A CA 2.329 54.361 52.037 -0.008 0.000 0.642 231 A CB -0.472 18.524 19.000 -0.006 0.000 0.816 231 A HN 0.613 nan 8.150 nan 0.000 0.453 232 D N -0.821 119.574 120.400 -0.008 0.000 2.310 232 D HA -0.130 4.517 4.640 0.012 0.000 0.212 232 D C 1.533 177.828 176.300 -0.010 0.000 0.965 232 D CA 1.097 55.093 54.000 -0.008 0.000 0.879 232 D CB -0.381 40.416 40.800 -0.006 0.000 0.921 232 D HN 0.584 nan 8.370 nan 0.000 0.510 233 R N -1.289 119.203 120.500 -0.012 0.000 2.476 233 R HA 0.312 4.660 4.340 0.012 0.000 0.276 233 R C -0.389 175.896 176.300 -0.024 0.000 0.941 233 R CA -0.227 55.863 56.100 -0.016 0.000 1.088 233 R CB 0.797 31.088 30.300 -0.014 0.000 1.216 233 R HN 0.068 nan 8.270 nan 0.000 0.533 234 C N 1.636 120.923 119.300 -0.023 0.000 2.446 234 C HA 0.308 4.776 4.460 0.012 0.000 0.329 234 C C -0.452 174.526 174.990 -0.020 0.000 1.166 234 C CA -0.720 58.282 59.018 -0.027 0.000 1.341 234 C CB 1.032 28.754 27.740 -0.030 0.000 1.970 234 C HN 0.436 nan 8.230 nan 0.000 0.452 235 E N 5.172 125.359 120.200 -0.021 0.000 2.283 235 E HA 0.411 4.768 4.350 0.012 0.000 0.278 235 E C -0.625 175.968 176.600 -0.012 0.000 1.027 235 E CA -0.443 55.949 56.400 -0.015 0.000 0.843 235 E CB 0.717 30.408 29.700 -0.014 0.000 1.062 235 E HN 0.639 nan 8.360 nan 0.000 0.401 236 I N 5.577 126.143 120.570 -0.007 0.000 2.304 236 I HA 0.163 4.340 4.170 0.012 0.000 0.291 236 I C -0.315 175.802 176.117 -0.001 0.000 1.018 236 I CA -0.742 60.556 61.300 -0.004 0.000 1.260 236 I CB 0.642 38.640 38.000 -0.003 0.000 1.390 236 I HN 0.491 nan 8.210 nan 0.000 0.475 237 L N 10.322 131.546 121.223 0.002 0.000 2.313 237 L HA 0.593 4.940 4.340 0.012 0.000 0.273 237 L C -2.534 174.337 176.870 0.003 0.000 1.028 237 L CA -1.975 52.868 54.840 0.004 0.000 0.871 237 L CB 1.091 43.155 42.059 0.010 0.000 1.242 237 L HN 0.213 nan 8.230 nan 0.000 0.434 238 P HA 0.523 nan 4.420 nan 0.000 0.271 238 P C -0.107 177.188 177.300 -0.009 0.000 1.226 238 P CA -0.012 63.086 63.100 -0.004 0.000 0.765 238 P CB 1.087 32.787 31.700 -0.001 0.000 0.835 239 G N 1.698 110.483 108.800 -0.025 0.000 2.427 239 G HA2 0.417 4.384 3.960 0.012 0.000 0.306 239 G HA3 0.417 4.384 3.960 0.012 0.000 0.306 239 G C -2.127 172.715 174.900 -0.097 0.000 1.280 239 G CA -0.375 44.701 45.100 -0.039 0.000 0.837 239 G HN 0.445 nan 8.290 nan 0.000 0.482 240 D N -0.386 119.945 120.400 -0.115 0.000 2.575 240 D HA 0.389 5.036 4.640 0.012 0.000 0.250 240 D C 0.831 177.015 176.300 -0.192 0.000 1.279 240 D CA -0.881 52.983 54.000 -0.226 0.000 0.925 240 D CB 1.057 41.787 40.800 -0.118 0.000 1.261 240 D HN 0.289 nan 8.370 nan 0.000 0.567 241 F N 2.263 122.109 119.950 -0.173 0.000 2.722 241 F HA 0.186 4.722 4.527 0.015 0.000 0.298 241 F C 0.822 176.367 175.800 -0.425 0.000 1.175 241 F CA -0.314 57.511 58.000 -0.291 0.000 1.462 241 F CB -1.040 37.752 39.000 -0.347 0.000 1.111 241 F HN 0.117 nan 8.300 nan 0.000 0.592 242 F N 0.636 120.604 119.950 0.030 0.000 2.569 242 F HA 0.135 4.669 4.527 0.011 0.000 0.295 242 F C 2.031 177.805 175.800 -0.042 0.000 1.115 242 F CA 0.606 58.590 58.000 -0.027 0.000 1.450 242 F CB -0.079 38.852 39.000 -0.115 0.000 1.107 242 F HN -0.040 nan 8.300 nan 0.000 0.563 243 E N -0.966 119.294 120.200 0.101 0.000 2.330 243 E HA 0.178 4.536 4.350 0.012 0.000 0.200 243 E C 0.085 176.698 176.600 0.021 0.000 0.922 243 E CA 0.655 57.084 56.400 0.049 0.000 0.935 243 E CB 0.410 30.125 29.700 0.026 0.000 0.917 243 E HN 0.049 nan 8.360 nan 0.000 0.491 244 T N 1.877 116.439 114.554 0.015 0.000 2.991 244 T HA 0.498 4.855 4.350 0.012 0.000 0.303 244 T C -0.511 174.199 174.700 0.018 0.000 1.015 244 T CA -0.470 61.637 62.100 0.011 0.000 1.007 244 T CB 1.508 70.381 68.868 0.009 0.000 1.034 244 T HN -0.122 nan 8.240 nan 0.000 0.446 245 I N 4.148 124.723 120.570 0.009 0.000 2.512 245 I HA 0.361 4.538 4.170 0.012 0.000 0.287 245 I C -2.527 173.624 176.117 0.056 0.000 1.069 245 I CA -2.779 58.535 61.300 0.023 0.000 1.056 245 I CB 1.755 39.716 38.000 -0.065 0.000 1.229 245 I HN 0.345 nan 8.210 nan 0.000 0.429 246 P HA 0.147 nan 4.420 nan 0.000 0.267 246 P C -0.829 176.575 177.300 0.174 0.000 1.205 246 P CA -0.003 63.161 63.100 0.108 0.000 0.765 246 P CB 0.394 32.150 31.700 0.092 0.000 0.828 247 D N 0.818 121.287 120.400 0.116 0.000 2.294 247 D HA 0.453 5.100 4.640 0.012 0.000 0.250 247 D C 1.182 177.566 176.300 0.140 0.000 1.058 247 D CA -0.615 53.469 54.000 0.140 0.000 0.950 247 D CB 0.373 41.209 40.800 0.061 0.000 1.158 247 D HN 0.597 nan 8.370 nan 0.000 0.453 248 G N -1.199 107.701 108.800 0.165 0.000 2.175 248 G HA2 -0.024 3.943 3.960 0.012 0.000 0.244 248 G HA3 -0.024 3.943 3.960 0.012 0.000 0.244 248 G C 0.436 175.371 174.900 0.059 0.000 0.982 248 G CA 0.261 45.420 45.100 0.098 0.000 0.641 248 G HN 0.997 nan 8.290 nan 0.000 0.527 249 A N -0.025 122.809 122.820 0.023 0.000 2.313 249 A HA 0.600 4.927 4.320 0.012 0.000 0.261 249 A C 1.213 178.710 177.584 -0.146 0.000 1.090 249 A CA 0.737 52.661 52.037 -0.188 0.000 0.807 249 A CB 0.396 19.087 19.000 -0.513 0.000 1.055 249 A HN 0.100 nan 8.150 nan 0.000 0.492 250 D N -0.804 119.514 120.400 -0.138 0.000 2.162 250 D HA 0.044 4.692 4.640 0.012 0.000 0.203 250 D C 0.248 176.523 176.300 -0.043 0.000 0.967 250 D CA 1.597 55.566 54.000 -0.052 0.000 0.840 250 D CB 0.248 41.031 40.800 -0.029 0.000 0.972 250 D HN 0.244 nan 8.370 nan 0.000 0.482 251 V N 0.406 120.235 119.914 -0.142 0.000 2.668 251 V HA 0.308 4.436 4.120 0.012 0.000 0.304 251 V C -1.787 174.161 176.094 -0.244 0.000 1.071 251 V CA -0.792 61.468 62.300 -0.067 0.000 0.894 251 V CB 1.404 33.277 31.823 0.083 0.000 1.008 251 V HN -0.082 nan 8.190 nan 0.000 0.425 252 Y N 6.134 126.415 120.300 -0.031 0.000 2.361 252 Y HA 0.758 5.315 4.550 0.012 0.000 0.332 252 Y C -0.120 175.731 175.900 -0.081 0.000 1.101 252 Y CA -0.638 57.428 58.100 -0.057 0.000 1.137 252 Y CB 1.842 40.259 38.460 -0.071 0.000 1.207 252 Y HN 0.499 nan 8.280 nan 0.000 0.463 253 L N 4.638 125.886 121.223 0.042 0.000 2.365 253 L HA 0.594 4.942 4.340 0.012 0.000 0.273 253 L C -0.955 175.889 176.870 -0.045 0.000 1.000 253 L CA -0.470 54.353 54.840 -0.029 0.000 0.819 253 L CB 2.209 44.239 42.059 -0.047 0.000 1.284 253 L HN 0.592 nan 8.230 nan 0.000 0.418 254 I N 2.896 123.405 120.570 -0.100 0.000 2.503 254 I HA 0.372 4.549 4.170 0.012 0.000 0.282 254 I C -1.112 174.910 176.117 -0.158 0.000 1.059 254 I CA -0.376 60.847 61.300 -0.128 0.000 1.081 254 I CB 0.929 38.822 38.000 -0.178 0.000 1.210 254 I HN 0.622 nan 8.210 nan 0.000 0.450 255 K N 6.561 126.882 120.400 -0.133 0.000 2.358 255 K HA 0.378 4.706 4.320 0.012 0.000 0.260 255 K C -0.373 176.137 176.600 -0.150 0.000 0.956 255 K CA -0.358 55.797 56.287 -0.220 0.000 0.834 255 K CB 0.487 32.861 32.500 -0.210 0.000 1.102 255 K HN 0.665 nan 8.250 nan 0.000 0.431 256 H N 1.497 120.462 119.070 -0.175 0.000 2.713 256 H HA -0.147 4.416 4.556 0.012 0.000 0.311 256 H C 0.393 175.628 175.328 -0.155 0.000 1.175 256 H CA 0.808 56.639 56.048 -0.362 0.000 1.143 256 H CB -1.773 27.963 29.762 -0.043 0.000 1.434 256 H HN 0.389 nan 8.280 nan 0.000 0.418 257 V N -0.642 119.273 119.914 0.002 0.000 2.911 257 V HA -0.020 4.107 4.120 0.012 0.000 0.237 257 V C 2.562 178.845 176.094 0.316 0.000 1.156 257 V CA 0.808 63.219 62.300 0.185 0.000 1.180 257 V CB -0.032 31.805 31.823 0.023 0.000 0.932 257 V HN 0.251 nan 8.190 nan 0.000 0.483 258 L N 1.275 122.617 121.223 0.198 0.000 2.131 258 L HA -0.174 4.174 4.340 0.012 0.000 0.210 258 L C 2.504 179.662 176.870 0.480 0.000 1.092 258 L CA 2.065 57.124 54.840 0.365 0.000 0.759 258 L CB -0.927 41.333 42.059 0.335 0.000 0.903 258 L HN 0.672 nan 8.230 nan 0.000 0.435 259 H N -2.219 117.056 119.070 0.342 0.000 2.561 259 H HA -0.075 4.488 4.556 0.012 0.000 0.278 259 H C 0.768 176.170 175.328 0.124 0.000 1.014 259 H CA 0.393 56.581 56.048 0.233 0.000 1.211 259 H CB -0.100 29.800 29.762 0.230 0.000 1.365 259 H HN 0.294 nan 8.280 nan 0.000 0.594 260 D N 0.052 120.694 120.400 0.404 0.000 2.348 260 D HA 0.038 4.685 4.640 0.012 0.000 0.211 260 D C -0.481 175.617 176.300 -0.336 0.000 0.998 260 D CA 0.402 54.375 54.000 -0.046 0.000 0.873 260 D CB 0.133 40.866 40.800 -0.113 0.000 0.925 260 D HN 0.438 nan 8.370 nan 0.000 0.524 261 W N 1.326 122.784 121.300 0.264 0.000 2.844 261 W HA 0.230 4.896 4.660 0.010 0.000 0.340 261 W C 0.108 176.718 176.519 0.152 0.000 1.093 261 W CA -1.229 56.258 57.345 0.237 0.000 1.212 261 W CB 0.926 30.547 29.460 0.269 0.000 1.422 261 W HN -0.248 nan 8.180 nan 0.000 0.515 262 D N -0.155 120.473 120.400 0.380 0.000 2.393 262 D HA 0.013 4.660 4.640 0.012 0.000 0.246 262 D C 0.717 177.135 176.300 0.197 0.000 1.275 262 D CA 0.097 54.224 54.000 0.212 0.000 0.979 262 D CB 0.597 41.491 40.800 0.158 0.000 1.101 262 D HN 0.289 nan 8.370 nan 0.000 0.505 263 D N -0.716 119.751 120.400 0.111 0.000 2.097 263 D HA -0.134 4.514 4.640 0.012 0.000 0.195 263 D C 1.364 177.722 176.300 0.097 0.000 0.989 263 D CA 1.166 55.215 54.000 0.082 0.000 0.827 263 D CB -0.317 40.506 40.800 0.038 0.000 0.966 263 D HN 0.404 nan 8.370 nan 0.000 0.456 264 D N 0.722 121.179 120.400 0.095 0.000 2.103 264 D HA -0.149 4.499 4.640 0.012 0.000 0.190 264 D C 1.588 177.960 176.300 0.120 0.000 0.997 264 D CA 1.071 55.123 54.000 0.087 0.000 0.833 264 D CB -0.358 40.486 40.800 0.073 0.000 0.961 264 D HN 0.183 nan 8.370 nan 0.000 0.447 265 D N -0.141 120.369 120.400 0.185 0.000 2.144 265 D HA -0.076 4.571 4.640 0.012 0.000 0.200 265 D C 2.257 178.671 176.300 0.190 0.000 0.978 265 D CA 0.246 54.398 54.000 0.254 0.000 0.833 265 D CB -0.145 40.885 40.800 0.384 0.000 0.961 265 D HN 0.054 nan 8.370 nan 0.000 0.470 266 V N 0.567 120.590 119.914 0.182 0.000 2.407 266 V HA -0.185 3.943 4.120 0.012 0.000 0.248 266 V C 2.599 178.718 176.094 0.041 0.000 1.055 266 V CA 0.912 63.276 62.300 0.106 0.000 1.049 266 V CB -0.220 31.711 31.823 0.179 0.000 0.662 266 V HN 0.058 nan 8.190 nan 0.000 0.455 267 V N -0.411 119.540 119.914 0.061 0.000 2.358 267 V HA -0.253 3.875 4.120 0.012 0.000 0.246 267 V C 2.558 178.662 176.094 0.016 0.000 1.047 267 V CA 1.971 64.292 62.300 0.034 0.000 1.035 267 V CB -0.727 31.119 31.823 0.039 0.000 0.658 267 V HN 0.464 nan 8.190 nan 0.000 0.452 268 R N -0.245 120.286 120.500 0.051 0.000 2.097 268 R HA -0.183 4.164 4.340 0.012 0.000 0.236 268 R C 2.240 178.528 176.300 -0.019 0.000 1.135 268 R CA 2.154 58.294 56.100 0.067 0.000 0.934 268 R CB -0.505 29.919 30.300 0.206 0.000 0.846 268 R HN 0.440 nan 8.270 nan 0.000 0.431 269 I N 0.711 121.203 120.570 -0.130 0.000 2.208 269 I HA -0.318 3.859 4.170 0.012 0.000 0.245 269 I C 2.280 178.263 176.117 -0.223 0.000 1.097 269 I CA 1.352 62.463 61.300 -0.316 0.000 1.363 269 I CB -0.302 37.365 38.000 -0.556 0.000 1.051 269 I HN 0.192 nan 8.210 nan 0.000 0.413 270 L N 0.071 121.205 121.223 -0.149 0.000 2.056 270 L HA -0.156 4.191 4.340 0.012 0.000 0.207 270 L C 2.811 179.614 176.870 -0.111 0.000 1.078 270 L CA 1.284 56.049 54.840 -0.125 0.000 0.749 270 L CB -0.506 41.515 42.059 -0.063 0.000 0.901 270 L HN 0.164 nan 8.230 nan 0.000 0.433 271 R N -0.333 120.121 120.500 -0.076 0.000 2.081 271 R HA -0.184 4.163 4.340 0.012 0.000 0.235 271 R C 2.394 178.643 176.300 -0.084 0.000 1.131 271 R CA 1.311 57.373 56.100 -0.064 0.000 0.960 271 R CB -0.318 29.962 30.300 -0.034 0.000 0.856 271 R HN 0.266 nan 8.270 nan 0.000 0.436 272 R N 0.949 121.393 120.500 -0.093 0.000 2.115 272 R HA -0.057 4.291 4.340 0.012 0.000 0.230 272 R C 2.060 178.263 176.300 -0.163 0.000 1.111 272 R CA 1.145 57.184 56.100 -0.101 0.000 0.976 272 R CB -0.073 30.178 30.300 -0.082 0.000 0.870 272 R HN 0.197 nan 8.270 nan 0.000 0.445 273 I N 0.391 120.831 120.570 -0.217 0.000 2.353 273 I HA -0.160 4.017 4.170 0.012 0.000 0.248 273 I C 2.478 178.396 176.117 -0.333 0.000 1.119 273 I CA 0.932 62.023 61.300 -0.348 0.000 1.417 273 I CB -0.340 37.447 38.000 -0.354 0.000 1.078 273 I HN 0.250 nan 8.210 nan 0.000 0.421 274 A N 1.088 123.784 122.820 -0.206 0.000 1.883 274 A HA -0.252 4.075 4.320 0.012 0.000 0.217 274 A C 2.437 179.946 177.584 -0.124 0.000 1.186 274 A CA 2.551 54.500 52.037 -0.146 0.000 0.624 274 A CB -1.229 17.714 19.000 -0.095 0.000 0.822 274 A HN 0.513 nan 8.150 nan 0.000 0.444 275 T N -2.416 112.071 114.554 -0.110 0.000 3.035 275 T HA 0.424 4.781 4.350 0.012 0.000 0.268 275 T C 0.917 175.571 174.700 -0.077 0.000 1.109 275 T CA 0.849 62.904 62.100 -0.076 0.000 1.119 275 T CB -0.515 68.321 68.868 -0.055 0.000 0.900 275 T HN 0.647 nan 8.240 nan 0.000 0.503 279 P HA -0.104 nan 4.420 nan 0.000 0.231 279 P C 0.108 177.418 177.300 0.017 0.000 1.158 279 P CA 1.088 64.196 63.100 0.013 0.000 0.763 279 P CB 0.233 31.938 31.700 0.008 0.000 0.805 280 D N -1.678 118.737 120.400 0.024 0.000 2.392 280 D HA 0.052 4.700 4.640 0.012 0.000 0.206 280 D C 0.313 176.634 176.300 0.035 0.000 1.046 280 D CA 0.273 54.287 54.000 0.023 0.000 0.865 280 D CB 0.047 40.858 40.800 0.018 0.000 0.969 280 D HN -0.084 nan 8.370 nan 0.000 0.509 281 S N 0.899 116.632 115.700 0.056 0.000 2.566 281 S HA 0.170 4.647 4.470 0.012 0.000 0.280 281 S C 0.404 175.051 174.600 0.079 0.000 1.343 281 S CA -0.029 58.225 58.200 0.091 0.000 1.036 281 S CB 0.817 64.120 63.200 0.172 0.000 0.866 281 S HN 0.108 nan 8.310 nan 0.000 0.526 282 R N 0.772 121.327 120.500 0.090 0.000 2.711 282 R HA 0.558 4.905 4.340 0.012 0.000 0.284 282 R C -0.975 175.374 176.300 0.081 0.000 0.968 282 R CA -0.926 55.214 56.100 0.066 0.000 0.924 282 R CB 1.292 31.632 30.300 0.067 0.000 1.162 282 R HN 0.494 nan 8.270 nan 0.000 0.465 283 L N 2.725 123.959 121.223 0.019 0.000 2.333 283 L HA 0.490 4.837 4.340 0.012 0.000 0.280 283 L C -1.204 175.601 176.870 -0.108 0.000 1.004 283 L CA -0.249 54.587 54.840 -0.006 0.000 0.820 283 L CB 1.205 43.238 42.059 -0.043 0.000 1.247 283 L HN 0.467 nan 8.230 nan 0.000 0.416 284 L N 6.476 127.612 121.223 -0.144 0.000 2.264 284 L HA 0.445 4.793 4.340 0.012 0.000 0.287 284 L C -0.585 176.160 176.870 -0.209 0.000 1.039 284 L CA -0.827 53.871 54.840 -0.236 0.000 0.829 284 L CB 1.493 43.355 42.059 -0.330 0.000 1.211 284 L HN 0.360 nan 8.230 nan 0.000 0.427 285 V N 5.580 125.348 119.914 -0.243 0.000 2.408 285 V HA 0.285 4.412 4.120 0.012 0.000 0.267 285 V C 0.332 176.254 176.094 -0.288 0.000 1.047 285 V CA -0.039 62.080 62.300 -0.301 0.000 0.937 285 V CB 1.291 32.847 31.823 -0.445 0.000 0.999 285 V HN 0.493 nan 8.190 nan 0.000 0.472 286 I N 5.416 125.828 120.570 -0.264 0.000 2.328 286 I HA 0.581 4.758 4.170 0.012 0.000 0.287 286 I C -0.320 175.620 176.117 -0.296 0.000 1.012 286 I CA 0.088 61.238 61.300 -0.250 0.000 1.195 286 I CB 1.126 38.984 38.000 -0.236 0.000 1.350 286 I HN 0.513 nan 8.210 nan 0.000 0.464 287 D N 3.597 123.894 120.400 -0.173 0.000 2.692 287 D HA 0.218 4.865 4.640 0.012 0.000 0.290 287 D C -1.220 175.175 176.300 0.158 0.000 1.281 287 D CA -0.657 53.331 54.000 -0.020 0.000 0.804 287 D CB 1.749 42.558 40.800 0.014 0.000 1.331 287 D HN 0.241 nan 8.370 nan 0.000 0.432 288 N N 1.055 119.948 118.700 0.323 0.000 2.431 288 N HA 0.225 4.972 4.740 0.012 0.000 0.265 288 N C -0.393 175.269 175.510 0.254 0.000 1.184 288 N CA 0.164 53.383 53.050 0.283 0.000 0.943 288 N CB 0.619 39.291 38.487 0.308 0.000 1.080 288 N HN 0.272 nan 8.380 nan 0.000 0.477 289 L N 3.184 124.520 121.223 0.189 0.000 2.282 289 L HA 0.395 4.742 4.340 0.012 0.000 0.288 289 L C 0.258 177.205 176.870 0.128 0.000 1.033 289 L CA -0.848 54.101 54.840 0.181 0.000 0.807 289 L CB 1.302 43.454 42.059 0.154 0.000 1.209 289 L HN 0.255 nan 8.230 nan 0.000 0.423 290 I N 3.414 124.050 120.570 0.110 0.000 2.421 290 I HA 0.045 4.222 4.170 0.012 0.000 0.291 290 I C 0.229 176.380 176.117 0.057 0.000 1.089 290 I CA 0.011 61.352 61.300 0.069 0.000 1.354 290 I CB 0.457 38.483 38.000 0.042 0.000 1.413 290 I HN 0.606 nan 8.210 nan 0.000 0.513 291 D N 5.342 125.772 120.400 0.050 0.000 2.560 291 D HA 0.253 4.900 4.640 0.012 0.000 0.277 291 D C -0.112 176.204 176.300 0.027 0.000 1.194 291 D CA -0.692 53.332 54.000 0.040 0.000 1.092 291 D CB 0.280 41.105 40.800 0.041 0.000 1.169 291 D HN 0.325 nan 8.370 nan 0.000 0.607 292 E N -0.253 119.960 120.200 0.022 0.000 2.376 292 E HA 0.113 4.471 4.350 0.012 0.000 0.266 292 E C -0.292 176.316 176.600 0.015 0.000 1.009 292 E CA -0.056 56.353 56.400 0.015 0.000 0.902 292 E CB 0.309 30.017 29.700 0.014 0.000 0.972 292 E HN 0.546 nan 8.360 nan 0.000 0.439 293 R N 3.039 123.544 120.500 0.009 0.000 3.152 293 R HA -0.106 4.241 4.340 0.012 0.000 0.252 293 R C -2.185 174.123 176.300 0.013 0.000 0.930 293 R CA 0.242 56.346 56.100 0.008 0.000 0.642 293 R CB -1.222 29.084 30.300 0.009 0.000 1.205 293 R HN 0.501 nan 8.270 nan 0.000 0.452 294 P HA 0.213 nan 4.420 nan 0.000 0.272 294 P C -0.406 176.903 177.300 0.015 0.000 1.230 294 P CA -0.099 63.013 63.100 0.019 0.000 0.788 294 P CB 0.852 32.561 31.700 0.015 0.000 0.949 295 A N 1.243 124.081 122.820 0.031 0.000 2.322 295 A HA 0.476 4.803 4.320 0.012 0.000 0.269 295 A C 1.654 179.258 177.584 0.034 0.000 1.094 295 A CA 0.117 52.176 52.037 0.037 0.000 0.807 295 A CB -0.076 18.957 19.000 0.055 0.000 1.047 295 A HN 0.585 nan 8.150 nan 0.000 0.487 296 A N 1.280 124.125 122.820 0.041 0.000 1.917 296 A HA -0.149 4.178 4.320 0.012 0.000 0.219 296 A C 2.474 180.144 177.584 0.144 0.000 1.182 296 A CA 2.604 54.653 52.037 0.021 0.000 0.633 296 A CB -1.073 18.000 19.000 0.123 0.000 0.819 296 A HN 1.220 nan 8.150 nan 0.000 0.448 297 S N -1.217 114.621 115.700 0.230 0.000 2.383 297 S HA -0.155 4.322 4.470 0.012 0.000 0.229 297 S C 2.022 176.747 174.600 0.209 0.000 1.030 297 S CA 2.226 60.593 58.200 0.277 0.000 1.002 297 S CB -0.585 62.713 63.200 0.164 0.000 0.829 297 S HN 0.647 nan 8.310 nan 0.000 0.467 298 T N 2.420 117.048 114.554 0.124 0.000 2.821 298 T HA 0.094 4.451 4.350 0.012 0.000 0.267 298 T C 1.663 176.402 174.700 0.065 0.000 1.046 298 T CA 1.209 63.367 62.100 0.097 0.000 1.139 298 T CB -0.244 68.670 68.868 0.076 0.000 0.871 298 T HN 0.342 nan 8.240 nan 0.000 0.454 299 L N -0.517 120.705 121.223 -0.001 0.000 2.156 299 L HA 0.070 4.417 4.340 0.012 0.000 0.208 299 L C 2.149 178.970 176.870 -0.082 0.000 1.095 299 L CA 0.890 55.679 54.840 -0.085 0.000 0.770 299 L CB -0.525 41.421 42.059 -0.188 0.000 0.914 299 L HN 0.189 nan 8.230 nan 0.000 0.439 300 F N -0.292 119.689 119.950 0.052 0.000 2.146 300 F HA -0.170 4.364 4.527 0.012 0.000 0.298 300 F C 2.394 178.256 175.800 0.104 0.000 1.096 300 F CA 1.170 59.215 58.000 0.074 0.000 1.275 300 F CB -0.753 38.271 39.000 0.040 0.000 1.008 300 F HN -0.237 nan 8.300 nan 0.000 0.480 301 V N -0.081 119.984 119.914 0.252 0.000 2.427 301 V HA -0.302 3.826 4.120 0.012 0.000 0.248 301 V C 2.024 178.160 176.094 0.071 0.000 1.051 301 V CA 2.101 64.496 62.300 0.158 0.000 1.048 301 V CB -0.701 31.189 31.823 0.112 0.000 0.666 301 V HN 0.287 nan 8.190 nan 0.000 0.456 302 D N -0.143 120.286 120.400 0.049 0.000 2.133 302 D HA -0.237 4.410 4.640 0.012 0.000 0.195 302 D C 1.935 178.231 176.300 -0.007 0.000 0.997 302 D CA 1.438 55.434 54.000 -0.005 0.000 0.840 302 D CB -0.082 40.714 40.800 -0.008 0.000 0.947 302 D HN 0.302 nan 8.370 nan 0.000 0.452 303 L N -0.230 121.035 121.223 0.071 0.000 2.109 303 L HA 0.058 4.405 4.340 0.012 0.000 0.207 303 L C 2.053 178.954 176.870 0.052 0.000 1.086 303 L CA 0.890 55.786 54.840 0.093 0.000 0.760 303 L CB -0.608 41.602 42.059 0.252 0.000 0.910 303 L HN 0.211 nan 8.230 nan 0.000 0.437 304 L N -0.877 120.478 121.223 0.220 0.000 2.042 304 L HA -0.230 4.118 4.340 0.012 0.000 0.210 304 L C 2.275 179.055 176.870 -0.150 0.000 1.076 304 L CA 1.868 56.799 54.840 0.152 0.000 0.749 304 L CB -0.557 41.675 42.059 0.289 0.000 0.893 304 L HN 0.237 nan 8.230 nan 0.000 0.432 305 L N -1.404 119.726 121.223 -0.154 0.000 2.017 305 L HA -0.232 4.115 4.340 0.012 0.000 0.208 305 L C 2.524 179.235 176.870 -0.265 0.000 1.073 305 L CA 1.290 55.976 54.840 -0.257 0.000 0.745 305 L CB -0.804 41.093 42.059 -0.269 0.000 0.894 305 L HN 0.384 nan 8.230 nan 0.000 0.432 306 L N -0.347 120.750 121.223 -0.211 0.000 1.990 306 L HA -0.210 4.138 4.340 0.012 0.000 0.213 306 L C 2.386 179.088 176.870 -0.281 0.000 1.072 306 L CA 1.843 56.559 54.840 -0.208 0.000 0.755 306 L CB -0.518 41.441 42.059 -0.168 0.000 0.889 306 L HN -0.084 nan 8.230 nan 0.000 0.432 307 V N -0.439 119.224 119.914 -0.418 0.000 2.343 307 V HA -0.275 3.852 4.120 0.012 0.000 0.247 307 V C 2.506 178.346 176.094 -0.423 0.000 1.051 307 V CA 2.040 64.016 62.300 -0.540 0.000 1.036 307 V CB -0.411 30.751 31.823 -1.102 0.000 0.654 307 V HN 0.464 nan 8.190 nan 0.000 0.451 308 L N -0.024 120.908 121.223 -0.484 0.000 2.068 308 L HA -0.004 4.343 4.340 0.012 0.000 0.204 308 L C 1.768 178.247 176.870 -0.652 0.000 1.076 308 L CA 1.586 56.056 54.840 -0.616 0.000 0.753 308 L CB -0.190 41.309 42.059 -0.934 0.000 0.910 308 L HN 0.456 nan 8.230 nan 0.000 0.439 309 V N -5.319 114.263 119.914 -0.554 0.000 3.329 309 V HA 0.523 4.650 4.120 0.012 0.000 0.317 309 V C 0.917 176.842 176.094 -0.281 0.000 1.495 309 V CA 0.130 62.133 62.300 -0.495 0.000 1.105 309 V CB 0.024 31.463 31.823 -0.640 0.000 0.985 309 V HN 0.420 nan 8.190 nan 0.000 0.475 310 G N 0.247 108.914 108.800 -0.221 0.000 2.168 310 G HA2 -0.142 3.825 3.960 0.012 0.000 0.257 310 G HA3 -0.142 3.825 3.960 0.012 0.000 0.257 310 G C 0.659 175.496 174.900 -0.105 0.000 0.997 310 G CA 0.542 45.566 45.100 -0.127 0.000 0.708 310 G HN 1.454 nan 8.290 nan 0.000 0.520 311 G N -1.000 107.708 108.800 -0.154 0.000 2.535 311 G HA2 0.893 4.860 3.960 0.012 0.000 0.282 311 G HA3 0.893 4.860 3.960 0.012 0.000 0.282 311 G C 0.047 174.899 174.900 -0.081 0.000 1.350 311 G CA 0.364 45.405 45.100 -0.098 0.000 1.039 311 G HN 1.841 nan 8.290 nan 0.000 0.509 312 A N -1.091 121.703 122.820 -0.043 0.000 2.582 312 A HA 0.578 4.906 4.320 0.012 0.000 0.297 312 A C -0.725 176.865 177.584 0.010 0.000 1.059 312 A CA -0.665 51.350 52.037 -0.037 0.000 0.705 312 A CB 1.219 20.198 19.000 -0.035 0.000 1.279 312 A HN 0.484 nan 8.150 nan 0.000 0.404 313 E N 0.919 121.127 120.200 0.014 0.000 2.349 313 E HA 0.518 4.875 4.350 0.012 0.000 0.265 313 E C -0.278 176.320 176.600 -0.002 0.000 1.064 313 E CA -0.122 56.325 56.400 0.078 0.000 0.886 313 E CB 1.141 30.897 29.700 0.093 0.000 1.036 313 E HN 0.549 nan 8.360 nan 0.000 0.413 314 R N 0.028 120.510 120.500 -0.030 0.000 2.854 314 R HA 0.333 4.680 4.340 0.012 0.000 0.271 314 R C -0.079 176.205 176.300 -0.027 0.000 0.994 314 R CA -0.622 55.377 56.100 -0.169 0.000 0.945 314 R CB 1.724 31.654 30.300 -0.617 0.000 1.194 314 R HN 0.632 nan 8.270 nan 0.000 0.476 315 S N -0.414 115.270 115.700 -0.026 0.000 2.624 315 S HA 0.043 4.520 4.470 0.012 0.000 0.263 315 S C 1.035 175.705 174.600 0.117 0.000 1.287 315 S CA -0.579 57.652 58.200 0.051 0.000 0.990 315 S CB 1.451 64.666 63.200 0.025 0.000 0.950 315 S HN 0.837 nan 8.310 nan 0.000 0.561 316 E N 0.943 121.231 120.200 0.146 0.000 2.051 316 E HA -0.198 4.159 4.350 0.012 0.000 0.192 316 E C 2.103 178.789 176.600 0.143 0.000 0.991 316 E CA 1.661 58.171 56.400 0.183 0.000 0.799 316 E CB -0.451 29.319 29.700 0.116 0.000 0.748 316 E HN 0.841 nan 8.360 nan 0.000 0.449 317 S N 0.178 115.926 115.700 0.080 0.000 2.387 317 S HA -0.247 4.230 4.470 0.012 0.000 0.230 317 S C 1.845 176.472 174.600 0.045 0.000 1.035 317 S CA 1.553 59.786 58.200 0.055 0.000 1.014 317 S CB -0.405 62.814 63.200 0.032 0.000 0.836 317 S HN 0.354 nan 8.310 nan 0.000 0.466 318 E N -0.069 120.139 120.200 0.014 0.000 2.106 318 E HA -0.002 4.355 4.350 0.012 0.000 0.192 318 E C 1.641 178.213 176.600 -0.047 0.000 0.984 318 E CA 1.054 57.425 56.400 -0.048 0.000 0.806 318 E CB -0.238 29.387 29.700 -0.126 0.000 0.750 318 E HN 0.570 nan 8.360 nan 0.000 0.458 319 F N 0.928 120.891 119.950 0.022 0.000 2.186 319 F HA -0.131 4.403 4.527 0.011 0.000 0.299 319 F C 2.308 178.112 175.800 0.006 0.000 1.090 319 F CA 1.048 59.058 58.000 0.016 0.000 1.307 319 F CB -0.639 38.369 39.000 0.013 0.000 1.019 319 F HN -0.007 nan 8.300 nan 0.000 0.489 320 A N -0.001 122.934 122.820 0.193 0.000 1.883 320 A HA -0.137 4.191 4.320 0.012 0.000 0.217 320 A C 2.475 180.104 177.584 0.076 0.000 1.186 320 A CA 2.028 54.130 52.037 0.108 0.000 0.624 320 A CB -1.421 17.624 19.000 0.074 0.000 0.822 320 A HN 0.312 nan 8.150 nan 0.000 0.444 321 A N -0.213 122.642 122.820 0.058 0.000 1.917 321 A HA -0.127 4.200 4.320 0.012 0.000 0.219 321 A C 2.199 179.808 177.584 0.042 0.000 1.182 321 A CA 1.717 53.776 52.037 0.037 0.000 0.633 321 A CB -0.681 18.331 19.000 0.019 0.000 0.819 321 A HN 0.508 nan 8.150 nan 0.000 0.448 322 L N -0.911 120.349 121.223 0.062 0.000 2.027 322 L HA -0.156 4.191 4.340 0.012 0.000 0.206 322 L C 2.586 179.498 176.870 0.069 0.000 1.074 322 L CA 1.065 55.947 54.840 0.070 0.000 0.745 322 L CB -0.709 41.411 42.059 0.101 0.000 0.898 322 L HN 0.358 nan 8.230 nan 0.000 0.433 323 L N -0.118 121.158 121.223 0.088 0.000 2.079 323 L HA -0.247 4.100 4.340 0.012 0.000 0.210 323 L C 2.708 179.592 176.870 0.024 0.000 1.081 323 L CA 1.360 56.228 54.840 0.046 0.000 0.752 323 L CB -0.562 41.522 42.059 0.041 0.000 0.896 323 L HN 0.390 nan 8.230 nan 0.000 0.433 324 E N 0.980 121.198 120.200 0.029 0.000 2.058 324 E HA -0.259 4.098 4.350 0.012 0.000 0.194 324 E C 1.873 178.480 176.600 0.012 0.000 0.997 324 E CA 1.387 57.797 56.400 0.018 0.000 0.801 324 E CB 0.055 29.767 29.700 0.020 0.000 0.746 324 E HN 0.432 nan 8.360 nan 0.000 0.450 325 K N -0.102 120.308 120.400 0.016 0.000 2.574 325 K HA 0.005 4.332 4.320 0.012 0.000 0.193 325 K C 1.282 177.885 176.600 0.005 0.000 1.035 325 K CA 0.666 56.960 56.287 0.011 0.000 0.982 325 K CB 0.225 32.734 32.500 0.016 0.000 0.795 325 K HN 0.005 nan 8.250 nan 0.000 0.491 326 S N -0.672 115.029 115.700 0.002 0.000 2.603 326 S HA 0.158 4.635 4.470 0.012 0.000 0.232 326 S C 0.852 175.440 174.600 -0.021 0.000 1.016 326 S CA 0.173 58.366 58.200 -0.012 0.000 0.976 326 S CB 1.360 64.550 63.200 -0.016 0.000 0.921 326 S HN 0.493 nan 8.310 nan 0.000 0.516 327 G N 1.702 110.493 108.800 -0.014 0.000 2.160 327 G HA2 -0.218 3.749 3.960 0.012 0.000 0.244 327 G HA3 -0.218 3.749 3.960 0.012 0.000 0.244 327 G C -0.219 174.668 174.900 -0.022 0.000 1.022 327 G CA 0.198 45.288 45.100 -0.017 0.000 0.741 327 G HN 0.430 nan 8.290 nan 0.000 0.508 328 L N -1.267 119.944 121.223 -0.020 0.000 2.257 328 L HA 0.976 5.323 4.340 0.012 0.000 0.257 328 L C 0.522 177.385 176.870 -0.012 0.000 1.033 328 L CA -1.473 53.353 54.840 -0.024 0.000 0.835 328 L CB 2.035 44.070 42.059 -0.039 0.000 1.398 328 L HN 0.446 nan 8.230 nan 0.000 0.429 329 R N -0.913 119.579 120.500 -0.014 0.000 2.710 329 R HA 0.667 5.014 4.340 0.012 0.000 0.270 329 R C -1.956 174.337 176.300 -0.011 0.000 1.021 329 R CA -0.878 55.218 56.100 -0.006 0.000 0.889 329 R CB 1.513 31.812 30.300 -0.002 0.000 1.243 329 R HN 0.226 nan 8.270 nan 0.000 0.464 330 V N 2.796 122.707 119.914 -0.005 0.000 2.488 330 V HA 0.095 4.223 4.120 0.012 0.000 0.277 330 V C 0.753 176.844 176.094 -0.005 0.000 1.046 330 V CA -0.226 62.068 62.300 -0.010 0.000 0.986 330 V CB 1.276 33.099 31.823 -0.000 0.000 0.989 330 V HN 0.826 nan 8.190 nan 0.000 0.475 331 E N 4.346 124.542 120.200 -0.008 0.000 2.102 331 E HA 0.073 4.431 4.350 0.012 0.000 0.190 331 E C 0.600 177.202 176.600 0.003 0.000 0.971 331 E CA 0.628 57.028 56.400 -0.000 0.000 0.821 331 E CB 0.326 30.029 29.700 0.004 0.000 0.777 331 E HN 0.860 nan 8.360 nan 0.000 0.460 332 R N -1.279 119.222 120.500 0.001 0.000 2.828 332 R HA 0.410 4.757 4.340 0.012 0.000 0.280 332 R C -1.122 175.178 176.300 -0.000 0.000 1.020 332 R CA -0.549 55.554 56.100 0.006 0.000 0.855 332 R CB 0.563 30.871 30.300 0.013 0.000 1.278 332 R HN -0.028 nan 8.270 nan 0.000 0.495 333 S N 1.405 117.107 115.700 0.004 0.000 2.532 333 S HA 0.752 5.230 4.470 0.012 0.000 0.299 333 S C -0.746 173.861 174.600 0.011 0.000 1.105 333 S CA -0.821 57.378 58.200 -0.001 0.000 1.018 333 S CB 1.250 64.451 63.200 0.002 0.000 1.021 333 S HN 0.522 nan 8.310 nan 0.000 0.483 334 L N 2.761 123.991 121.223 0.012 0.000 2.354 334 L HA 0.647 4.994 4.340 0.012 0.000 0.269 334 L C -2.533 174.351 176.870 0.024 0.000 1.005 334 L CA -2.603 52.252 54.840 0.025 0.000 0.819 334 L CB 1.896 43.981 42.059 0.042 0.000 1.311 334 L HN 0.428 nan 8.230 nan 0.000 0.423 335 P HA 0.095 nan 4.420 nan 0.000 0.270 335 P C -0.949 176.374 177.300 0.038 0.000 1.227 335 P CA -0.410 62.711 63.100 0.034 0.000 0.788 335 P CB 0.611 32.331 31.700 0.034 0.000 0.926 336 C N 0.828 120.153 119.300 0.042 0.000 3.178 336 C HA 0.522 4.990 4.460 0.012 0.000 0.428 336 C C 1.275 176.297 174.990 0.054 0.000 0.967 336 C CA 0.822 59.868 59.018 0.046 0.000 1.205 336 C CB -0.109 27.652 27.740 0.036 0.000 1.584 336 C HN 0.930 nan 8.230 nan 0.000 0.591 337 G N 3.602 112.436 108.800 0.056 0.000 2.238 337 G HA2 0.034 4.001 3.960 0.012 0.000 0.270 337 G HA3 0.034 4.001 3.960 0.012 0.000 0.270 337 G C 0.941 175.875 174.900 0.057 0.000 0.977 337 G CA 1.455 46.591 45.100 0.059 0.000 0.639 337 G HN 2.920 nan 8.290 nan 0.000 0.544 338 A N -2.298 120.554 122.820 0.054 0.000 2.815 338 A HA 0.398 4.725 4.320 0.012 0.000 0.292 338 A C 1.836 179.453 177.584 0.056 0.000 1.457 338 A CA 2.039 54.106 52.037 0.050 0.000 0.735 338 A CB -1.367 17.659 19.000 0.043 0.000 1.056 338 A HN 2.587 nan 8.150 nan 0.000 0.474 339 G N -1.034 107.806 108.800 0.066 0.000 3.187 339 G HA2 0.714 4.681 3.960 0.012 0.000 0.175 339 G HA3 0.714 4.681 3.960 0.012 0.000 0.175 339 G C -1.534 173.414 174.900 0.080 0.000 1.112 339 G CA 0.229 45.374 45.100 0.075 0.000 0.821 339 G HN 0.332 nan 8.290 nan 0.000 0.636 340 P HA 0.252 nan 4.420 nan 0.000 0.245 340 P C 0.442 177.810 177.300 0.115 0.000 1.199 340 P CA -0.132 63.030 63.100 0.102 0.000 0.807 340 P CB 0.257 32.026 31.700 0.116 0.000 1.002 341 V N 1.243 121.233 119.914 0.126 0.000 2.788 341 V HA 0.042 4.169 4.120 0.012 0.000 0.307 341 V C 0.729 176.864 176.094 0.068 0.000 1.069 341 V CA 0.471 62.842 62.300 0.118 0.000 1.173 341 V CB -0.310 31.584 31.823 0.119 0.000 0.925 341 V HN 0.103 nan 8.190 nan 0.000 0.492 342 R N 2.866 123.387 120.500 0.035 0.000 2.680 342 R HA 0.616 4.963 4.340 0.012 0.000 0.269 342 R C -1.524 174.752 176.300 -0.040 0.000 1.026 342 R CA -0.776 55.331 56.100 0.011 0.000 0.889 342 R CB 1.734 32.051 30.300 0.028 0.000 1.241 342 R HN 0.687 nan 8.270 nan 0.000 0.463 343 I N 3.645 124.188 120.570 -0.045 0.000 2.312 343 I HA 0.299 4.477 4.170 0.012 0.000 0.290 343 I C -0.524 175.535 176.117 -0.098 0.000 1.008 343 I CA -0.920 60.324 61.300 -0.094 0.000 1.226 343 I CB 1.741 39.692 38.000 -0.082 0.000 1.371 343 I HN 0.190 nan 8.210 nan 0.000 0.468 344 V N 6.255 126.081 119.914 -0.145 0.000 2.311 344 V HA 0.178 4.305 4.120 0.012 0.000 0.275 344 V C 0.327 176.331 176.094 -0.150 0.000 1.022 344 V CA -0.635 61.586 62.300 -0.132 0.000 0.830 344 V CB 1.204 32.930 31.823 -0.162 0.000 1.012 344 V HN 0.732 nan 8.190 nan 0.000 0.452 345 E N 4.674 124.810 120.200 -0.106 0.000 2.223 345 E HA 0.435 4.792 4.350 0.012 0.000 0.282 345 E C -1.129 175.434 176.600 -0.063 0.000 1.046 345 E CA -0.402 55.940 56.400 -0.098 0.000 0.857 345 E CB 0.801 30.499 29.700 -0.004 0.000 1.055 345 E HN 0.566 nan 8.360 nan 0.000 0.409 346 I N 4.217 124.744 120.570 -0.072 0.000 2.693 346 I HA 0.423 4.600 4.170 0.012 0.000 0.303 346 I C -0.106 175.994 176.117 -0.028 0.000 1.025 346 I CA -0.588 60.682 61.300 -0.051 0.000 1.086 346 I CB 1.874 39.831 38.000 -0.072 0.000 1.268 346 I HN 0.544 nan 8.210 nan 0.000 0.440 347 R N 3.540 124.028 120.500 -0.019 0.000 2.888 347 R HA 0.686 5.033 4.340 0.012 0.000 0.266 347 R C -0.806 175.484 176.300 -0.017 0.000 1.020 347 R CA -1.053 55.041 56.100 -0.009 0.000 0.963 347 R CB 1.105 31.405 30.300 -0.000 0.000 1.197 347 R HN 0.345 nan 8.270 nan 0.000 0.481 348 R N 0.517 121.009 120.500 -0.015 0.000 2.640 348 R HA 0.172 4.520 4.340 0.012 0.000 0.270 348 R C -0.077 176.216 176.300 -0.013 0.000 1.024 348 R CA 0.600 56.688 56.100 -0.020 0.000 1.085 348 R CB 0.883 31.172 30.300 -0.017 0.000 0.963 348 R HN 0.753 nan 8.270 nan 0.000 0.426 349 A N 0.000 122.812 122.820 -0.014 0.000 2.254 349 A HA 0.000 4.327 4.320 0.012 0.000 0.244 349 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 349 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 349 A HN 0.000 nan 8.150 nan 0.000 0.486