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 3d9e_1_B DATA FIRST_RESID 2 DATA SEQUENCE VDFKLSPSQL EARRHAQAFA NTVLTKASAE YSTQKDQLSR FQATRPFYRE DATA SEQUENCE AVRHGLIKAQ VPIPLGGTME SLVHESIILE ELFAVEPATS ITIVATALGL DATA SEQUENCE MPVILCDSPS LQEKFLKPFI SGEGEPLASL MHSEPNGTAN WLQKGGPGLQ DATA SEQUENCE TTARKVGNEW VISGEKLWPS NSGGWDYKGA DLACVVCRVS DDPSKPQDPN DATA SEQUENCE VDPATQIAVL LVTRETIANN KKDAYQILGE PELAGHITTS GPHTRFTEFH DATA SEQUENCE VPHENLLCTP GLKAQGLVET AFAMSAALVG AMAIGTARAA FEEALVFAKS DATA SEQUENCE DTRGGSKHII EHQSVADKLI DCKIRLETSR LLVWKAVTTL EDEALEWKVK DATA SEQUENCE LEMAMQTKIY TTDVAVECVI DAMKAVGMKS YAKDMSFPRL LNEVMCYPLF DATA SEQUENCE NGGNIGLRRR QMQRVMALED YEPWAATYGS S 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.988 176.094 -0.176 0.000 1.182 2 V CA 0.000 62.208 62.300 -0.154 0.000 1.235 2 V CB 0.000 31.747 31.823 -0.126 0.000 1.184 3 D N 4.754 124.973 120.400 -0.302 0.000 2.857 3 D HA 0.592 5.233 4.640 0.001 0.000 0.227 3 D C -0.423 175.673 176.300 -0.340 0.000 1.192 3 D CA -0.336 53.548 54.000 -0.192 0.000 0.857 3 D CB 1.884 42.636 40.800 -0.081 0.000 1.645 3 D HN 0.354 nan 8.370 nan 0.000 0.482 4 F N 0.955 120.949 119.950 0.074 0.000 2.688 4 F HA 0.355 4.882 4.527 0.001 0.000 0.310 4 F C 0.928 176.807 175.800 0.132 0.000 1.098 4 F CA -0.536 57.542 58.000 0.130 0.000 1.228 4 F CB 0.526 39.602 39.000 0.127 0.000 1.042 4 F HN -0.004 nan 8.300 nan 0.000 0.557 5 K N 1.807 122.325 120.400 0.197 0.000 2.350 5 K HA 0.330 4.651 4.320 0.001 0.000 0.279 5 K C -0.292 176.355 176.600 0.079 0.000 1.027 5 K CA -0.084 56.285 56.287 0.136 0.000 0.969 5 K CB 0.759 33.312 32.500 0.088 0.000 0.954 5 K HN 0.088 nan 8.250 nan 0.000 0.474 6 L N 2.698 123.963 121.223 0.070 0.000 2.312 6 L HA 0.185 4.526 4.340 0.001 0.000 0.281 6 L C 0.680 177.542 176.870 -0.013 0.000 1.070 6 L CA -0.530 54.307 54.840 -0.005 0.000 0.805 6 L CB 1.417 43.483 42.059 0.012 0.000 1.174 6 L HN 0.759 nan 8.230 nan 0.000 0.434 7 S N 2.284 117.956 115.700 -0.047 0.000 2.624 7 S HA 0.286 4.756 4.470 0.001 0.000 0.263 7 S C -1.914 172.683 174.600 -0.006 0.000 1.287 7 S CA -1.109 57.082 58.200 -0.015 0.000 0.990 7 S CB 0.950 64.149 63.200 -0.002 0.000 0.950 7 S HN 0.417 nan 8.310 nan 0.000 0.561 8 P HA -0.107 nan 4.420 nan 0.000 0.218 8 P C 1.791 179.112 177.300 0.036 0.000 1.148 8 P CA 1.627 64.743 63.100 0.026 0.000 0.822 8 P CB -0.193 31.524 31.700 0.029 0.000 0.784 9 S N -1.069 114.666 115.700 0.059 0.000 2.406 9 S HA -0.183 4.287 4.470 0.001 0.000 0.228 9 S C 2.056 176.717 174.600 0.102 0.000 1.020 9 S CA 0.872 59.145 58.200 0.121 0.000 0.965 9 S CB -1.100 62.219 63.200 0.198 0.000 0.798 9 S HN 0.147 nan 8.310 nan 0.000 0.488 10 Q N 0.710 120.456 119.800 -0.090 0.000 2.079 10 Q HA 0.121 4.461 4.340 0.001 0.000 0.200 10 Q C 2.254 178.186 176.000 -0.113 0.000 0.974 10 Q CA 1.540 57.135 55.803 -0.348 0.000 0.840 10 Q CB -0.396 28.064 28.738 -0.463 0.000 0.898 10 Q HN 0.551 nan 8.270 nan 0.000 0.430 11 L N 0.272 121.475 121.223 -0.033 0.000 2.093 11 L HA -0.192 4.148 4.340 0.001 0.000 0.208 11 L C 2.434 179.336 176.870 0.053 0.000 1.085 11 L CA 1.065 55.918 54.840 0.022 0.000 0.755 11 L CB -0.281 41.798 42.059 0.033 0.000 0.904 11 L HN 0.216 nan 8.230 nan 0.000 0.435 12 E N 0.825 121.060 120.200 0.059 0.000 2.077 12 E HA -0.207 4.144 4.350 0.001 0.000 0.193 12 E C 2.100 178.776 176.600 0.126 0.000 0.989 12 E CA 1.568 58.020 56.400 0.087 0.000 0.800 12 E CB -0.139 29.604 29.700 0.071 0.000 0.746 12 E HN 0.341 nan 8.360 nan 0.000 0.452 13 A N 0.883 123.774 122.820 0.118 0.000 1.972 13 A HA -0.185 4.135 4.320 0.001 0.000 0.219 13 A C 2.313 180.002 177.584 0.175 0.000 1.169 13 A CA 1.758 53.889 52.037 0.157 0.000 0.635 13 A CB -0.619 18.485 19.000 0.174 0.000 0.810 13 A HN 0.300 nan 8.150 nan 0.000 0.446 14 R N -0.626 119.947 120.500 0.123 0.000 2.062 14 R HA -0.080 4.261 4.340 0.001 0.000 0.229 14 R C 2.466 178.843 176.300 0.128 0.000 1.128 14 R CA 1.259 57.433 56.100 0.122 0.000 0.960 14 R CB -0.357 30.003 30.300 0.100 0.000 0.855 14 R HN 0.501 nan 8.270 nan 0.000 0.432 15 R N -0.360 120.214 120.500 0.124 0.000 2.094 15 R HA -0.254 4.087 4.340 0.001 0.000 0.239 15 R C 2.309 178.696 176.300 0.144 0.000 1.137 15 R CA 2.362 58.533 56.100 0.119 0.000 0.943 15 R CB -0.670 29.697 30.300 0.111 0.000 0.850 15 R HN 0.436 nan 8.270 nan 0.000 0.433 16 H N -0.043 119.086 119.070 0.098 0.000 2.289 16 H HA -0.122 4.435 4.556 0.001 0.000 0.296 16 H C 1.780 177.195 175.328 0.145 0.000 1.091 16 H CA 2.673 58.794 56.048 0.122 0.000 1.274 16 H CB -0.343 29.484 29.762 0.108 0.000 1.364 16 H HN 0.390 nan 8.280 nan 0.000 0.490 17 A N 0.336 123.215 122.820 0.098 0.000 1.933 17 A HA -0.213 4.107 4.320 0.001 0.000 0.218 17 A C 2.365 179.995 177.584 0.078 0.000 1.175 17 A CA 1.716 53.797 52.037 0.074 0.000 0.628 17 A CB -0.647 18.446 19.000 0.154 0.000 0.814 17 A HN 0.682 nan 8.150 nan 0.000 0.444 18 Q N -0.764 119.080 119.800 0.074 0.000 2.030 18 Q HA -0.168 4.173 4.340 0.001 0.000 0.204 18 Q C 2.497 178.509 176.000 0.020 0.000 0.986 18 Q CA 1.544 57.379 55.803 0.054 0.000 0.843 18 Q CB -0.393 28.382 28.738 0.061 0.000 0.904 18 Q HN 0.687 nan 8.270 nan 0.000 0.420 19 A N 0.453 123.283 122.820 0.016 0.000 1.908 19 A HA -0.226 4.095 4.320 0.001 0.000 0.218 19 A C 1.856 179.419 177.584 -0.035 0.000 1.181 19 A CA 1.428 53.467 52.037 0.004 0.000 0.627 19 A CB -0.872 18.150 19.000 0.037 0.000 0.818 19 A HN 0.485 nan 8.150 nan 0.000 0.445 20 F N 0.931 120.737 119.950 -0.241 0.000 2.075 20 F HA -0.056 4.472 4.527 0.002 0.000 0.297 20 F C 2.561 178.249 175.800 -0.186 0.000 1.113 20 F CA 1.361 59.162 58.000 -0.332 0.000 1.218 20 F CB -0.626 38.071 39.000 -0.506 0.000 0.984 20 F HN 0.248 nan 8.300 nan 0.000 0.472 21 A N 0.380 123.114 122.820 -0.142 0.000 1.908 21 A HA -0.273 4.048 4.320 0.001 0.000 0.218 21 A C 1.968 179.425 177.584 -0.211 0.000 1.181 21 A CA 2.308 54.232 52.037 -0.188 0.000 0.627 21 A CB -1.297 17.687 19.000 -0.025 0.000 0.818 21 A HN 0.649 nan 8.150 nan 0.000 0.445 22 N N -0.936 117.682 118.700 -0.137 0.000 2.216 22 N HA -0.096 4.645 4.740 0.001 0.000 0.183 22 N C 1.809 177.246 175.510 -0.123 0.000 1.017 22 N CA 1.748 54.735 53.050 -0.106 0.000 0.861 22 N CB -0.159 38.296 38.487 -0.054 0.000 0.986 22 N HN 0.696 nan 8.380 nan 0.000 0.428 23 T N -2.702 111.764 114.554 -0.148 0.000 3.035 23 T HA 0.135 4.486 4.350 0.001 0.000 0.259 23 T C 1.721 176.329 174.700 -0.153 0.000 1.078 23 T CA 0.397 62.429 62.100 -0.113 0.000 1.132 23 T CB -0.090 68.746 68.868 -0.054 0.000 0.900 23 T HN -0.097 nan 8.240 nan 0.000 0.480 24 V N 0.700 120.417 119.914 -0.329 0.000 2.721 24 V HA 0.310 4.430 4.120 0.001 0.000 0.236 24 V C 2.581 178.521 176.094 -0.256 0.000 1.116 24 V CA 0.242 62.353 62.300 -0.316 0.000 1.148 24 V CB -0.477 30.934 31.823 -0.687 0.000 0.886 24 V HN 0.299 nan 8.190 nan 0.000 0.490 25 L N 1.306 122.250 121.223 -0.464 0.000 2.131 25 L HA -0.152 4.189 4.340 0.001 0.000 0.210 25 L C 2.751 179.453 176.870 -0.281 0.000 1.092 25 L CA 2.092 56.725 54.840 -0.345 0.000 0.759 25 L CB -1.144 40.745 42.059 -0.283 0.000 0.903 25 L HN 0.614 nan 8.230 nan 0.000 0.435 26 T N -2.912 111.512 114.554 -0.215 0.000 2.929 26 T HA -0.179 4.172 4.350 0.001 0.000 0.271 26 T C 1.611 176.202 174.700 -0.181 0.000 1.085 26 T CA 0.928 62.926 62.100 -0.169 0.000 1.125 26 T CB -0.200 68.595 68.868 -0.122 0.000 0.874 26 T HN 0.383 nan 8.240 nan 0.000 0.494 27 K N 0.940 121.235 120.400 -0.175 0.000 2.361 27 K HA 0.416 4.737 4.320 0.001 0.000 0.196 27 K C 2.695 179.121 176.600 -0.290 0.000 1.039 27 K CA 0.556 56.779 56.287 -0.107 0.000 1.001 27 K CB -0.148 32.417 32.500 0.107 0.000 0.795 27 K HN 0.409 nan 8.250 nan 0.000 0.495 28 A N 1.534 123.908 122.820 -0.743 0.000 1.908 28 A HA -0.209 4.112 4.320 0.001 0.000 0.218 28 A C 2.312 179.470 177.584 -0.709 0.000 1.181 28 A CA 2.035 53.374 52.037 -1.163 0.000 0.627 28 A CB -0.675 17.701 19.000 -1.039 0.000 0.818 28 A HN 0.246 nan 8.150 nan 0.000 0.445 29 S N -0.474 114.780 115.700 -0.744 0.000 2.370 29 S HA -0.107 4.364 4.470 0.001 0.000 0.226 29 S C 2.173 176.339 174.600 -0.723 0.000 1.033 29 S CA 1.603 59.124 58.200 -1.131 0.000 1.011 29 S CB -0.500 62.350 63.200 -0.583 0.000 0.852 29 S HN 0.870 nan 8.310 nan 0.000 0.457 30 A N 1.325 123.915 122.820 -0.383 0.000 1.978 30 A HA -0.130 4.191 4.320 0.001 0.000 0.220 30 A C 2.083 179.575 177.584 -0.153 0.000 1.170 30 A CA 1.742 53.654 52.037 -0.208 0.000 0.636 30 A CB -0.492 18.442 19.000 -0.112 0.000 0.810 30 A HN 0.570 nan 8.150 nan 0.000 0.448 31 E N -0.655 119.467 120.200 -0.131 0.000 2.033 31 E HA -0.123 4.228 4.350 0.001 0.000 0.189 31 E C 1.971 178.583 176.600 0.020 0.000 0.979 31 E CA 1.679 58.084 56.400 0.009 0.000 0.802 31 E CB -0.838 28.982 29.700 0.200 0.000 0.763 31 E HN 0.969 nan 8.360 nan 0.000 0.449 32 Y N 0.454 120.767 120.300 0.020 0.000 2.457 32 Y HA 0.149 4.700 4.550 0.001 0.000 0.292 32 Y C 2.102 178.013 175.900 0.017 0.000 1.125 32 Y CA 0.815 58.932 58.100 0.029 0.000 1.254 32 Y CB -0.369 38.110 38.460 0.031 0.000 1.012 32 Y HN -0.191 nan 8.280 nan 0.000 0.555 33 S N 0.511 116.173 115.700 -0.063 0.000 2.423 33 S HA -0.177 4.293 4.470 0.001 0.000 0.231 33 S C 1.907 176.525 174.600 0.029 0.000 1.014 33 S CA 1.643 59.844 58.200 0.002 0.000 0.965 33 S CB -0.738 62.380 63.200 -0.135 0.000 0.785 33 S HN 0.796 nan 8.310 nan 0.000 0.495 34 T N -0.435 114.130 114.554 0.018 0.000 3.055 34 T HA 0.067 4.417 4.350 0.001 0.000 0.265 34 T C 0.697 175.425 174.700 0.047 0.000 1.111 34 T CA 0.215 62.329 62.100 0.023 0.000 1.118 34 T CB -0.100 68.775 68.868 0.011 0.000 0.909 34 T HN 0.143 nan 8.240 nan 0.000 0.501 35 Q N 1.061 120.909 119.800 0.079 0.000 2.299 35 Q HA 0.336 4.676 4.340 0.001 0.000 0.246 35 Q C 0.585 176.631 176.000 0.076 0.000 0.935 35 Q CA -0.128 55.724 55.803 0.083 0.000 0.887 35 Q CB 1.349 30.155 28.738 0.113 0.000 1.223 35 Q HN 0.294 nan 8.270 nan 0.000 0.439 36 K N 1.018 121.455 120.400 0.062 0.000 2.374 36 K HA 0.030 4.351 4.320 0.001 0.000 0.196 36 K C -0.572 176.061 176.600 0.055 0.000 1.023 36 K CA 0.380 56.698 56.287 0.052 0.000 1.103 36 K CB 0.538 33.062 32.500 0.040 0.000 0.848 36 K HN 0.733 nan 8.250 nan 0.000 0.528 37 D N -2.910 117.530 120.400 0.067 0.000 2.615 37 D HA 0.003 4.644 4.640 0.001 0.000 0.267 37 D C 0.569 176.921 176.300 0.085 0.000 1.236 37 D CA -0.714 53.327 54.000 0.068 0.000 0.839 37 D CB 0.859 41.697 40.800 0.064 0.000 1.380 37 D HN -0.332 nan 8.370 nan 0.000 0.433 38 Q N -0.227 119.622 119.800 0.083 0.000 2.030 38 Q HA -0.127 4.214 4.340 0.001 0.000 0.204 38 Q C 1.720 177.805 176.000 0.142 0.000 0.986 38 Q CA 1.842 57.702 55.803 0.094 0.000 0.843 38 Q CB -0.394 28.387 28.738 0.073 0.000 0.904 38 Q HN 0.601 nan 8.270 nan 0.000 0.420 39 L N -0.209 121.099 121.223 0.143 0.000 2.017 39 L HA -0.139 4.201 4.340 0.001 0.000 0.208 39 L C 2.101 179.081 176.870 0.182 0.000 1.073 39 L CA 2.226 57.171 54.840 0.175 0.000 0.745 39 L CB -0.922 41.176 42.059 0.064 0.000 0.894 39 L HN 0.189 nan 8.230 nan 0.000 0.432 40 S N -0.202 115.569 115.700 0.119 0.000 2.365 40 S HA -0.228 4.243 4.470 0.001 0.000 0.225 40 S C 1.990 176.676 174.600 0.144 0.000 1.039 40 S CA 1.664 59.927 58.200 0.105 0.000 1.033 40 S CB -0.445 62.804 63.200 0.081 0.000 0.887 40 S HN 0.475 nan 8.310 nan 0.000 0.447 41 R N -0.094 120.505 120.500 0.166 0.000 2.081 41 R HA -0.057 4.284 4.340 0.001 0.000 0.235 41 R C 2.141 178.576 176.300 0.226 0.000 1.131 41 R CA 1.485 57.698 56.100 0.188 0.000 0.960 41 R CB -0.513 29.864 30.300 0.127 0.000 0.856 41 R HN 0.436 nan 8.270 nan 0.000 0.436 42 F N 2.245 122.254 119.950 0.099 0.000 2.102 42 F HA -0.211 4.317 4.527 0.001 0.000 0.298 42 F C 2.064 178.052 175.800 0.313 0.000 1.105 42 F CA 1.640 59.732 58.000 0.154 0.000 1.239 42 F CB -0.286 38.770 39.000 0.095 0.000 0.991 42 F HN -0.050 nan 8.300 nan 0.000 0.474 43 Q N 0.014 119.843 119.800 0.048 0.000 2.167 43 Q HA -0.091 4.250 4.340 0.001 0.000 0.202 43 Q C 2.355 178.332 176.000 -0.039 0.000 0.970 43 Q CA 1.272 57.053 55.803 -0.037 0.000 0.855 43 Q CB -0.488 28.262 28.738 0.020 0.000 0.911 43 Q HN 0.522 nan 8.270 nan 0.000 0.438 44 A N 0.867 123.733 122.820 0.077 0.000 2.125 44 A HA -0.152 4.169 4.320 0.001 0.000 0.219 44 A C 2.127 179.864 177.584 0.254 0.000 1.156 44 A CA 1.660 53.783 52.037 0.142 0.000 0.671 44 A CB -0.664 18.456 19.000 0.201 0.000 0.794 44 A HN 0.491 nan 8.150 nan 0.000 0.459 45 T N -3.722 110.976 114.554 0.241 0.000 3.129 45 T HA 0.084 4.434 4.350 0.001 0.000 0.251 45 T C 1.681 176.564 174.700 0.304 0.000 1.117 45 T CA 0.534 62.882 62.100 0.412 0.000 1.034 45 T CB -0.205 68.880 68.868 0.363 0.000 0.968 45 T HN 0.484 nan 8.240 nan 0.000 0.526 46 R N 1.745 122.153 120.500 -0.153 0.000 2.080 46 R HA -0.038 4.303 4.340 0.001 0.000 0.236 46 R C -0.796 175.323 176.300 -0.302 0.000 1.137 46 R CA 1.749 57.431 56.100 -0.697 0.000 0.943 46 R CB -1.152 28.448 30.300 -1.166 0.000 0.846 46 R HN 0.342 nan 8.270 nan 0.000 0.431 47 P HA -0.159 nan 4.420 nan 0.000 0.217 47 P C 0.570 177.653 177.300 -0.362 0.000 1.148 47 P CA 1.497 64.357 63.100 -0.400 0.000 0.828 47 P CB -0.073 31.242 31.700 -0.642 0.000 0.783 48 F N -3.670 116.331 119.950 0.085 0.000 2.335 48 F HA -0.000 4.528 4.527 0.001 0.000 0.296 48 F C 2.418 178.399 175.800 0.301 0.000 1.091 48 F CA 0.504 58.601 58.000 0.163 0.000 1.399 48 F CB -1.274 37.803 39.000 0.129 0.000 1.067 48 F HN -0.142 nan 8.300 nan 0.000 0.520 49 Y N 1.427 121.932 120.300 0.342 0.000 2.200 49 Y HA -0.230 4.321 4.550 0.001 0.000 0.290 49 Y C 2.751 178.789 175.900 0.229 0.000 1.137 49 Y CA 1.603 59.907 58.100 0.341 0.000 1.163 49 Y CB -0.272 38.488 38.460 0.501 0.000 0.988 49 Y HN -0.092 nan 8.280 nan 0.000 0.518 50 R N 0.869 121.497 120.500 0.214 0.000 2.096 50 R HA -0.187 4.154 4.340 0.001 0.000 0.240 50 R C 1.982 178.334 176.300 0.086 0.000 1.139 50 R CA 2.137 58.287 56.100 0.083 0.000 0.952 50 R CB -0.578 29.714 30.300 -0.014 0.000 0.854 50 R HN 0.235 nan 8.270 nan 0.000 0.436 51 E N 0.278 120.569 120.200 0.151 0.000 2.085 51 E HA -0.166 4.185 4.350 0.001 0.000 0.194 51 E C 1.918 178.746 176.600 0.379 0.000 0.994 51 E CA 1.568 58.153 56.400 0.309 0.000 0.801 51 E CB -0.560 29.353 29.700 0.355 0.000 0.743 51 E HN 0.504 nan 8.360 nan 0.000 0.453 52 A N 0.829 123.776 122.820 0.211 0.000 1.902 52 A HA -0.159 4.162 4.320 0.001 0.000 0.217 52 A C 2.625 180.102 177.584 -0.179 0.000 1.181 52 A CA 1.679 53.583 52.037 -0.222 0.000 0.623 52 A CB -0.681 18.192 19.000 -0.213 0.000 0.818 52 A HN 0.150 nan 8.150 nan 0.000 0.443 53 V N -0.069 119.753 119.914 -0.153 0.000 2.295 53 V HA -0.267 3.854 4.120 0.001 0.000 0.246 53 V C 2.593 178.679 176.094 -0.014 0.000 1.049 53 V CA 2.279 64.520 62.300 -0.098 0.000 1.024 53 V CB -0.861 30.921 31.823 -0.069 0.000 0.648 53 V HN 0.647 nan 8.190 nan 0.000 0.447 54 R N -0.752 119.770 120.500 0.036 0.000 2.159 54 R HA -0.191 4.150 4.340 0.001 0.000 0.237 54 R C 2.053 178.346 176.300 -0.012 0.000 1.131 54 R CA 1.623 57.739 56.100 0.026 0.000 0.982 54 R CB -0.195 30.133 30.300 0.047 0.000 0.868 54 R HN 0.641 nan 8.270 nan 0.000 0.453 55 H N -1.769 117.294 119.070 -0.011 0.000 2.539 55 H HA 0.213 4.770 4.556 0.001 0.000 0.267 55 H C 0.958 176.283 175.328 -0.005 0.000 0.982 55 H CA 0.839 56.907 56.048 0.034 0.000 1.146 55 H CB 0.944 30.688 29.762 -0.030 0.000 1.382 55 H HN 0.480 nan 8.280 nan 0.000 0.577 56 G N 0.252 109.071 108.800 0.032 0.000 2.136 56 G HA2 -0.278 3.682 3.960 0.001 0.000 0.242 56 G HA3 -0.278 3.682 3.960 0.001 0.000 0.242 56 G C 1.005 175.890 174.900 -0.025 0.000 0.989 56 G CA 0.464 45.556 45.100 -0.014 0.000 0.682 56 G HN 0.414 nan 8.290 nan 0.000 0.522 57 L N -0.127 121.063 121.223 -0.055 0.000 2.179 57 L HA 0.048 4.388 4.340 0.001 0.000 0.208 57 L C 2.768 179.613 176.870 -0.042 0.000 1.096 57 L CA 0.705 55.499 54.840 -0.077 0.000 0.779 57 L CB -0.372 41.559 42.059 -0.212 0.000 0.922 57 L HN 0.274 nan 8.230 nan 0.000 0.443 58 I N 0.053 120.594 120.570 -0.048 0.000 2.252 58 I HA -0.254 3.916 4.170 0.001 0.000 0.245 58 I C 2.445 178.605 176.117 0.071 0.000 1.102 58 I CA 1.372 62.694 61.300 0.036 0.000 1.385 58 I CB -1.113 36.930 38.000 0.070 0.000 1.064 58 I HN 0.252 nan 8.210 nan 0.000 0.414 59 K N 1.039 121.466 120.400 0.046 0.000 2.152 59 K HA -0.110 4.210 4.320 0.001 0.000 0.206 59 K C 1.915 178.525 176.600 0.018 0.000 1.048 59 K CA 1.421 57.733 56.287 0.043 0.000 0.933 59 K CB -0.003 32.507 32.500 0.018 0.000 0.721 59 K HN 0.292 nan 8.250 nan 0.000 0.447 60 A N 0.411 123.232 122.820 0.001 0.000 2.235 60 A HA -0.055 4.266 4.320 0.001 0.000 0.208 60 A C 1.366 178.950 177.584 0.000 0.000 1.172 60 A CA 0.613 52.644 52.037 -0.011 0.000 0.786 60 A CB -0.006 18.984 19.000 -0.016 0.000 0.804 60 A HN 0.265 nan 8.150 nan 0.000 0.479 61 Q N -0.494 119.313 119.800 0.013 0.000 2.403 61 Q HA 0.151 4.492 4.340 0.001 0.000 0.203 61 Q C -0.179 175.812 176.000 -0.015 0.000 0.932 61 Q CA 0.429 56.234 55.803 0.005 0.000 0.945 61 Q CB 0.032 28.778 28.738 0.013 0.000 1.045 61 Q HN 0.386 nan 8.270 nan 0.000 0.511 62 V N 2.452 122.362 119.914 -0.006 0.000 2.495 62 V HA 0.332 4.453 4.120 0.001 0.000 0.298 62 V C -2.331 173.753 176.094 -0.016 0.000 1.031 62 V CA -2.303 59.992 62.300 -0.009 0.000 0.871 62 V CB 1.783 33.618 31.823 0.020 0.000 0.988 62 V HN -0.046 nan 8.190 nan 0.000 0.432 63 P HA 0.224 nan 4.420 nan 0.000 0.268 63 P C 1.041 178.327 177.300 -0.024 0.000 1.208 63 P CA 0.081 63.165 63.100 -0.027 0.000 0.777 63 P CB 0.814 32.499 31.700 -0.025 0.000 0.875 64 I N 2.947 123.497 120.570 -0.035 0.000 2.226 64 I HA -0.179 3.992 4.170 0.001 0.000 0.245 64 I C -0.629 175.476 176.117 -0.020 0.000 1.100 64 I CA 1.720 63.001 61.300 -0.032 0.000 1.374 64 I CB -1.634 36.339 38.000 -0.045 0.000 1.057 64 I HN 0.442 nan 8.210 nan 0.000 0.413 65 P HA -0.155 nan 4.420 nan 0.000 0.218 65 P C 1.127 178.424 177.300 -0.005 0.000 1.146 65 P CA 1.181 64.274 63.100 -0.012 0.000 0.813 65 P CB 0.063 31.756 31.700 -0.012 0.000 0.778 66 L N -2.398 118.824 121.223 -0.002 0.000 2.700 66 L HA 0.394 4.735 4.340 0.001 0.000 0.234 66 L C 1.558 178.437 176.870 0.016 0.000 1.156 66 L CA 0.680 55.526 54.840 0.009 0.000 0.946 66 L CB -1.149 40.916 42.059 0.010 0.000 1.216 66 L HN 0.117 nan 8.230 nan 0.000 0.493 67 G N -1.478 107.327 108.800 0.007 0.000 2.157 67 G HA2 -0.209 3.752 3.960 0.001 0.000 0.239 67 G HA3 -0.209 3.752 3.960 0.001 0.000 0.239 67 G C 0.686 175.593 174.900 0.011 0.000 0.982 67 G CA 0.012 45.118 45.100 0.010 0.000 0.650 67 G HN 0.638 nan 8.290 nan 0.000 0.527 68 G N -1.158 107.647 108.800 0.008 0.000 2.583 68 G HA2 0.661 4.621 3.960 0.001 0.000 0.280 68 G HA3 0.661 4.621 3.960 0.001 0.000 0.280 68 G C 0.864 175.753 174.900 -0.018 0.000 1.376 68 G CA 0.938 46.041 45.100 0.005 0.000 1.043 68 G HN 1.119 nan 8.290 nan 0.000 0.538 69 T N -2.417 112.120 114.554 -0.028 0.000 3.200 69 T HA 0.322 4.672 4.350 0.001 0.000 0.284 69 T C 0.814 175.467 174.700 -0.078 0.000 1.009 69 T CA -0.261 61.807 62.100 -0.054 0.000 0.907 69 T CB -0.165 68.669 68.868 -0.057 0.000 1.120 69 T HN 0.357 nan 8.240 nan 0.000 0.534 70 M N 2.428 121.988 119.600 -0.066 0.000 2.303 70 M HA 0.149 4.630 4.480 0.001 0.000 0.350 70 M C 0.849 177.060 176.300 -0.148 0.000 1.518 70 M CA 0.542 55.791 55.300 -0.085 0.000 1.070 70 M CB 0.553 33.122 32.600 -0.052 0.000 1.910 70 M HN 0.216 nan 8.290 nan 0.000 0.458 71 E N 2.164 122.201 120.200 -0.271 0.000 2.127 71 E HA 0.049 4.399 4.350 0.001 0.000 0.191 71 E C 0.140 176.529 176.600 -0.353 0.000 0.964 71 E CA 0.610 56.738 56.400 -0.454 0.000 0.832 71 E CB 0.382 29.488 29.700 -0.990 0.000 0.790 71 E HN 0.833 nan 8.360 nan 0.000 0.465 72 S N -1.125 114.435 115.700 -0.232 0.000 2.636 72 S HA 0.170 4.641 4.470 0.001 0.000 0.266 72 S C 0.079 174.696 174.600 0.028 0.000 1.147 72 S CA -0.761 57.427 58.200 -0.020 0.000 0.815 72 S CB 0.757 64.014 63.200 0.095 0.000 1.119 72 S HN -0.041 nan 8.310 nan 0.000 0.470 73 L N 1.453 122.682 121.223 0.010 0.000 2.141 73 L HA 0.109 4.450 4.340 0.001 0.000 0.209 73 L C 2.593 179.446 176.870 -0.029 0.000 1.094 73 L CA 1.346 56.188 54.840 0.004 0.000 0.763 73 L CB -1.174 40.889 42.059 0.007 0.000 0.908 73 L HN 0.736 nan 8.230 nan 0.000 0.437 74 V N -1.261 118.592 119.914 -0.100 0.000 2.358 74 V HA -0.293 3.827 4.120 0.001 0.000 0.246 74 V C 2.430 178.363 176.094 -0.269 0.000 1.047 74 V CA 1.453 63.549 62.300 -0.340 0.000 1.035 74 V CB -0.709 30.791 31.823 -0.538 0.000 0.658 74 V HN 0.439 nan 8.190 nan 0.000 0.452 75 H N 0.121 119.081 119.070 -0.183 0.000 2.319 75 H HA -0.206 4.350 4.556 0.001 0.000 0.297 75 H C 2.324 177.629 175.328 -0.039 0.000 1.097 75 H CA 2.114 58.102 56.048 -0.100 0.000 1.285 75 H CB -0.121 29.602 29.762 -0.066 0.000 1.368 75 H HN 0.459 nan 8.280 nan 0.000 0.495 76 E N 0.321 120.586 120.200 0.108 0.000 2.077 76 E HA -0.133 4.218 4.350 0.001 0.000 0.193 76 E C 2.242 178.899 176.600 0.094 0.000 0.989 76 E CA 1.569 58.022 56.400 0.087 0.000 0.800 76 E CB -0.178 29.557 29.700 0.058 0.000 0.746 76 E HN 0.296 nan 8.360 nan 0.000 0.452 77 S N -0.021 115.724 115.700 0.075 0.000 2.359 77 S HA -0.128 4.342 4.470 0.001 0.000 0.224 77 S C 1.988 176.711 174.600 0.205 0.000 1.035 77 S CA 1.329 59.618 58.200 0.148 0.000 1.018 77 S CB -0.360 62.959 63.200 0.197 0.000 0.876 77 S HN 0.304 nan 8.310 nan 0.000 0.448 78 I N 1.113 121.775 120.570 0.153 0.000 2.226 78 I HA -0.190 3.981 4.170 0.001 0.000 0.245 78 I C 2.047 178.266 176.117 0.171 0.000 1.100 78 I CA 1.197 62.607 61.300 0.183 0.000 1.374 78 I CB -0.361 37.678 38.000 0.066 0.000 1.057 78 I HN 0.244 nan 8.210 nan 0.000 0.413 79 I N 0.382 121.042 120.570 0.151 0.000 2.179 79 I HA -0.307 3.864 4.170 0.001 0.000 0.242 79 I C 2.379 178.618 176.117 0.203 0.000 1.088 79 I CA 1.502 62.902 61.300 0.167 0.000 1.357 79 I CB -0.266 37.827 38.000 0.154 0.000 1.051 79 I HN 0.184 nan 8.210 nan 0.000 0.409 80 L N 0.129 121.483 121.223 0.218 0.000 2.141 80 L HA -0.194 4.147 4.340 0.001 0.000 0.209 80 L C 2.565 179.641 176.870 0.344 0.000 1.094 80 L CA 1.213 56.239 54.840 0.309 0.000 0.763 80 L CB -0.650 41.543 42.059 0.224 0.000 0.908 80 L HN 0.337 nan 8.230 nan 0.000 0.437 81 E N 0.398 120.742 120.200 0.238 0.000 2.051 81 E HA -0.239 4.112 4.350 0.001 0.000 0.192 81 E C 2.009 178.741 176.600 0.220 0.000 0.991 81 E CA 1.270 57.798 56.400 0.213 0.000 0.799 81 E CB 0.185 29.996 29.700 0.185 0.000 0.748 81 E HN 0.378 nan 8.360 nan 0.000 0.449 82 E N 0.371 120.689 120.200 0.196 0.000 2.106 82 E HA -0.166 4.184 4.350 0.001 0.000 0.192 82 E C 2.169 178.858 176.600 0.148 0.000 0.984 82 E CA 0.492 56.986 56.400 0.157 0.000 0.806 82 E CB -0.223 29.561 29.700 0.140 0.000 0.750 82 E HN 0.250 nan 8.360 nan 0.000 0.458 83 L N -0.074 121.256 121.223 0.179 0.000 1.994 83 L HA -0.114 4.227 4.340 0.001 0.000 0.208 83 L C 2.267 179.148 176.870 0.018 0.000 1.071 83 L CA 1.525 56.428 54.840 0.105 0.000 0.745 83 L CB -1.097 41.035 42.059 0.121 0.000 0.892 83 L HN 0.063 nan 8.230 nan 0.000 0.431 84 F N -0.586 119.438 119.950 0.123 0.000 2.451 84 F HA -0.083 4.445 4.527 0.001 0.000 0.299 84 F C 2.316 178.174 175.800 0.098 0.000 1.101 84 F CA 0.817 58.892 58.000 0.126 0.000 1.436 84 F CB -0.715 38.364 39.000 0.132 0.000 1.074 84 F HN 0.080 nan 8.300 nan 0.000 0.553 85 A N -0.767 122.175 122.820 0.203 0.000 2.119 85 A HA -0.000 4.321 4.320 0.001 0.000 0.217 85 A C 2.106 179.728 177.584 0.063 0.000 1.153 85 A CA 1.616 53.731 52.037 0.130 0.000 0.692 85 A CB -0.597 18.473 19.000 0.117 0.000 0.799 85 A HN 0.204 nan 8.150 nan 0.000 0.458 86 V N -1.396 118.538 119.914 0.034 0.000 2.743 86 V HA 0.197 4.318 4.120 0.001 0.000 0.237 86 V C 0.316 176.385 176.094 -0.041 0.000 1.113 86 V CA 1.135 63.425 62.300 -0.016 0.000 1.141 86 V CB 0.371 32.175 31.823 -0.032 0.000 0.873 86 V HN 0.557 nan 8.190 nan 0.000 0.486 87 E N -0.425 119.734 120.200 -0.068 0.000 2.454 87 E HA 0.289 4.640 4.350 0.001 0.000 0.315 87 E C -2.673 173.812 176.600 -0.191 0.000 0.907 87 E CA -1.173 55.174 56.400 -0.088 0.000 0.797 87 E CB 1.917 31.564 29.700 -0.087 0.000 1.396 87 E HN 0.057 nan 8.360 nan 0.000 0.389 88 P HA 0.116 nan 4.420 nan 0.000 0.233 88 P C -0.161 177.092 177.300 -0.078 0.000 1.167 88 P CA 0.494 63.437 63.100 -0.262 0.000 0.770 88 P CB 0.290 32.141 31.700 0.252 0.000 0.837 89 A N -0.387 122.404 122.820 -0.048 0.000 2.511 89 A HA 0.274 4.594 4.320 0.001 0.000 0.242 89 A C 1.310 178.937 177.584 0.071 0.000 1.069 89 A CA 1.181 53.211 52.037 -0.012 0.000 0.763 89 A CB -0.919 18.022 19.000 -0.099 0.000 1.001 89 A HN 0.200 nan 8.150 nan 0.000 0.498 90 T N 1.548 116.227 114.554 0.208 0.000 12.380 90 T HA -0.293 4.058 4.350 0.001 0.000 0.415 90 T C 1.865 176.750 174.700 0.308 0.000 1.471 90 T CA 2.294 64.608 62.100 0.357 0.000 2.420 90 T CB -1.825 67.292 68.868 0.414 0.000 2.818 90 T HN 0.933 nan 8.240 nan 0.000 0.798 91 S N 0.613 116.375 115.700 0.104 0.000 2.387 91 S HA -0.064 4.406 4.470 0.001 0.000 0.230 91 S C 1.752 176.471 174.600 0.197 0.000 1.035 91 S CA 1.621 59.800 58.200 -0.035 0.000 1.014 91 S CB -0.316 62.478 63.200 -0.677 0.000 0.836 91 S HN 0.563 nan 8.310 nan 0.000 0.466 92 I N 1.918 122.646 120.570 0.263 0.000 2.315 92 I HA -0.138 4.033 4.170 0.001 0.000 0.248 92 I C 2.048 178.358 176.117 0.322 0.000 1.117 92 I CA 1.383 62.952 61.300 0.448 0.000 1.404 92 I CB -0.655 37.573 38.000 0.380 0.000 1.071 92 I HN 0.183 nan 8.210 nan 0.000 0.419 93 T N 0.710 115.455 114.554 0.318 0.000 2.857 93 T HA -0.060 4.291 4.350 0.001 0.000 0.266 93 T C 2.005 176.953 174.700 0.413 0.000 1.048 93 T CA 1.774 64.051 62.100 0.295 0.000 1.139 93 T CB -0.380 68.670 68.868 0.303 0.000 0.874 93 T HN 0.298 nan 8.240 nan 0.000 0.455 94 I N 0.712 121.577 120.570 0.491 0.000 2.208 94 I HA -0.155 4.015 4.170 0.001 0.000 0.245 94 I C 2.508 178.779 176.117 0.258 0.000 1.097 94 I CA 1.017 62.550 61.300 0.389 0.000 1.363 94 I CB -0.422 37.729 38.000 0.252 0.000 1.051 94 I HN 0.084 nan 8.210 nan 0.000 0.413 95 V N 0.574 120.641 119.914 0.255 0.000 2.488 95 V HA -0.189 3.932 4.120 0.001 0.000 0.246 95 V C 2.619 178.763 176.094 0.084 0.000 1.046 95 V CA 1.763 64.170 62.300 0.178 0.000 1.053 95 V CB -0.408 31.573 31.823 0.264 0.000 0.679 95 V HN 0.464 nan 8.190 nan 0.000 0.458 96 A N -0.644 122.236 122.820 0.100 0.000 1.877 96 A HA -0.242 4.078 4.320 0.001 0.000 0.216 96 A C 2.374 179.953 177.584 -0.007 0.000 1.186 96 A CA 2.623 54.672 52.037 0.020 0.000 0.620 96 A CB -1.060 17.955 19.000 0.024 0.000 0.822 96 A HN 0.486 nan 8.150 nan 0.000 0.443 97 T N 0.301 114.891 114.554 0.060 0.000 2.684 97 T HA -0.088 4.262 4.350 0.001 0.000 0.267 97 T C 2.211 176.865 174.700 -0.077 0.000 1.036 97 T CA 1.786 63.906 62.100 0.032 0.000 1.148 97 T CB -0.505 68.495 68.868 0.220 0.000 0.863 97 T HN 0.626 nan 8.240 nan 0.000 0.436 98 A N 1.184 123.987 122.820 -0.028 0.000 1.908 98 A HA -0.055 4.266 4.320 0.001 0.000 0.218 98 A C 2.242 179.745 177.584 -0.135 0.000 1.181 98 A CA 1.454 53.447 52.037 -0.073 0.000 0.627 98 A CB -0.842 18.146 19.000 -0.019 0.000 0.818 98 A HN 0.418 nan 8.150 nan 0.000 0.445 99 L N 0.181 121.315 121.223 -0.149 0.000 2.046 99 L HA -0.030 4.311 4.340 0.001 0.000 0.208 99 L C 2.412 179.130 176.870 -0.253 0.000 1.077 99 L CA 2.350 57.044 54.840 -0.242 0.000 0.747 99 L CB -1.160 40.720 42.059 -0.299 0.000 0.896 99 L HN 0.307 nan 8.230 nan 0.000 0.432 100 G N -0.356 108.323 108.800 -0.201 0.000 2.440 100 G HA2 -0.254 3.706 3.960 0.001 0.000 0.218 100 G HA3 -0.254 3.706 3.960 0.001 0.000 0.218 100 G C 1.561 176.327 174.900 -0.223 0.000 1.154 100 G CA 1.211 46.198 45.100 -0.188 0.000 0.767 100 G HN 0.461 nan 8.290 nan 0.000 0.552 101 L N -0.076 120.985 121.223 -0.271 0.000 2.291 101 L HA 0.046 4.386 4.340 0.001 0.000 0.214 101 L C 2.996 179.751 176.870 -0.191 0.000 1.120 101 L CA 0.096 54.766 54.840 -0.283 0.000 0.799 101 L CB -0.347 41.505 42.059 -0.344 0.000 0.925 101 L HN 0.137 nan 8.230 nan 0.000 0.446 102 M N 0.264 119.753 119.600 -0.184 0.000 2.082 102 M HA -0.144 4.336 4.480 0.001 0.000 0.258 102 M C -0.116 176.102 176.300 -0.136 0.000 1.069 102 M CA 2.301 57.508 55.300 -0.154 0.000 1.102 102 M CB -1.886 30.606 32.600 -0.179 0.000 1.336 102 M HN 0.065 nan 8.290 nan 0.000 0.404 103 P HA -0.064 nan 4.420 nan 0.000 0.218 103 P C 1.807 179.042 177.300 -0.108 0.000 1.149 103 P CA 0.969 63.995 63.100 -0.124 0.000 0.817 103 P CB -0.105 31.519 31.700 -0.126 0.000 0.785 104 V N -0.225 119.623 119.914 -0.110 0.000 2.307 104 V HA -0.216 3.904 4.120 0.001 0.000 0.245 104 V C 2.338 178.403 176.094 -0.048 0.000 1.045 104 V CA 1.546 63.803 62.300 -0.072 0.000 1.024 104 V CB -1.169 30.625 31.823 -0.049 0.000 0.651 104 V HN 0.035 nan 8.190 nan 0.000 0.449 105 I N -0.273 120.261 120.570 -0.061 0.000 2.315 105 I HA -0.284 3.887 4.170 0.001 0.000 0.251 105 I C 2.094 178.182 176.117 -0.048 0.000 1.125 105 I CA 1.713 62.984 61.300 -0.048 0.000 1.392 105 I CB -0.220 37.744 38.000 -0.061 0.000 1.065 105 I HN 0.277 nan 8.210 nan 0.000 0.424 106 L N 0.018 121.202 121.223 -0.065 0.000 2.529 106 L HA 0.047 4.387 4.340 0.001 0.000 0.223 106 L C 1.570 178.399 176.870 -0.068 0.000 1.113 106 L CA -0.430 54.367 54.840 -0.071 0.000 0.861 106 L CB -0.232 41.770 42.059 -0.094 0.000 1.012 106 L HN 0.464 nan 8.230 nan 0.000 0.461 107 C N -0.747 118.518 119.300 -0.058 0.000 2.633 107 C HA 0.161 4.621 4.460 0.001 0.000 0.345 107 C C 1.477 176.446 174.990 -0.035 0.000 1.384 107 C CA -0.439 58.548 59.018 -0.052 0.000 2.418 107 C CB 0.401 28.112 27.740 -0.048 0.000 2.425 107 C HN 0.555 nan 8.230 nan 0.000 0.705 108 D N -0.009 120.373 120.400 -0.030 0.000 2.336 108 D HA 0.116 4.757 4.640 0.001 0.000 0.228 108 D C 0.319 176.616 176.300 -0.005 0.000 1.120 108 D CA 0.306 54.295 54.000 -0.019 0.000 0.839 108 D CB -0.407 40.380 40.800 -0.021 0.000 0.932 108 D HN 0.532 nan 8.370 nan 0.000 0.509 109 S N 0.880 116.582 115.700 0.003 0.000 2.399 109 S HA 0.315 4.786 4.470 0.001 0.000 0.215 109 S C -1.880 172.740 174.600 0.032 0.000 1.456 109 S CA -1.349 56.863 58.200 0.019 0.000 1.199 109 S CB 1.199 64.415 63.200 0.026 0.000 1.063 109 S HN -0.184 nan 8.310 nan 0.000 0.476 110 P HA -0.150 nan 4.420 nan 0.000 0.217 110 P C 1.513 178.833 177.300 0.034 0.000 1.148 110 P CA 1.356 64.471 63.100 0.026 0.000 0.828 110 P CB -0.161 31.549 31.700 0.016 0.000 0.783 111 S N -0.720 115.002 115.700 0.036 0.000 2.383 111 S HA -0.096 4.375 4.470 0.001 0.000 0.227 111 S C 1.955 176.592 174.600 0.062 0.000 1.026 111 S CA 0.872 59.093 58.200 0.036 0.000 0.981 111 S CB -1.417 61.802 63.200 0.032 0.000 0.818 111 S HN -0.020 nan 8.310 nan 0.000 0.472 112 L N 1.916 123.206 121.223 0.113 0.000 2.056 112 L HA 0.011 4.351 4.340 0.001 0.000 0.207 112 L C 2.881 179.909 176.870 0.263 0.000 1.078 112 L CA 1.578 56.566 54.840 0.248 0.000 0.749 112 L CB -1.045 41.141 42.059 0.212 0.000 0.901 112 L HN 0.345 nan 8.230 nan 0.000 0.433 113 Q N -0.918 118.967 119.800 0.141 0.000 2.030 113 Q HA -0.257 4.083 4.340 0.001 0.000 0.204 113 Q C 2.186 178.245 176.000 0.099 0.000 0.986 113 Q CA 1.623 57.492 55.803 0.110 0.000 0.843 113 Q CB -0.333 28.439 28.738 0.057 0.000 0.904 113 Q HN 0.405 nan 8.270 nan 0.000 0.420 114 E N 1.388 121.623 120.200 0.058 0.000 2.070 114 E HA -0.245 4.105 4.350 0.001 0.000 0.197 114 E C 1.879 178.479 176.600 0.001 0.000 1.004 114 E CA 1.451 57.868 56.400 0.027 0.000 0.805 114 E CB -0.014 29.691 29.700 0.007 0.000 0.744 114 E HN 0.218 nan 8.360 nan 0.000 0.451 115 K N -0.996 119.374 120.400 -0.051 0.000 2.025 115 K HA -0.106 4.215 4.320 0.001 0.000 0.207 115 K C 2.161 178.607 176.600 -0.257 0.000 1.049 115 K CA 1.324 57.469 56.287 -0.237 0.000 0.933 115 K CB -0.194 32.027 32.500 -0.465 0.000 0.714 115 K HN 0.039 nan 8.250 nan 0.000 0.438 116 F N 0.771 120.769 119.950 0.079 0.000 2.473 116 F HA 0.108 4.636 4.527 0.001 0.000 0.294 116 F C 1.757 177.691 175.800 0.223 0.000 1.103 116 F CA 0.401 58.476 58.000 0.126 0.000 1.442 116 F CB 0.098 39.152 39.000 0.090 0.000 1.097 116 F HN -0.057 nan 8.300 nan 0.000 0.547 117 L N -0.253 121.164 121.223 0.323 0.000 2.341 117 L HA -0.077 4.264 4.340 0.001 0.000 0.214 117 L C 2.386 179.462 176.870 0.344 0.000 1.115 117 L CA 0.603 55.649 54.840 0.343 0.000 0.820 117 L CB -0.501 41.667 42.059 0.180 0.000 0.944 117 L HN 0.062 nan 8.230 nan 0.000 0.452 118 K N 1.192 121.702 120.400 0.183 0.000 2.059 118 K HA -0.199 4.122 4.320 0.001 0.000 0.212 118 K C -0.549 176.076 176.600 0.041 0.000 1.050 118 K CA 1.938 58.275 56.287 0.084 0.000 0.927 118 K CB -0.776 31.734 32.500 0.017 0.000 0.714 118 K HN 0.206 nan 8.250 nan 0.000 0.447 119 P HA -0.116 nan 4.420 nan 0.000 0.226 119 P C 0.727 177.867 177.300 -0.267 0.000 1.153 119 P CA 1.167 64.140 63.100 -0.211 0.000 0.777 119 P CB -0.045 31.432 31.700 -0.371 0.000 0.794 120 F N 0.377 120.372 119.950 0.076 0.000 2.416 120 F HA 0.114 4.641 4.527 0.001 0.000 0.296 120 F C 2.203 178.030 175.800 0.044 0.000 1.099 120 F CA 0.575 58.621 58.000 0.076 0.000 1.427 120 F CB -0.813 38.237 39.000 0.084 0.000 1.079 120 F HN -0.166 nan 8.300 nan 0.000 0.536 121 I N -2.141 118.536 120.570 0.178 0.000 3.875 121 I HA 0.135 4.305 4.170 0.001 0.000 0.329 121 I C 1.945 178.090 176.117 0.046 0.000 1.295 121 I CA 0.591 61.949 61.300 0.097 0.000 1.129 121 I CB -0.478 37.571 38.000 0.081 0.000 1.008 121 I HN 0.070 nan 8.210 nan 0.000 0.413 122 S N 1.477 117.195 115.700 0.030 0.000 2.377 122 S HA 0.183 4.654 4.470 0.001 0.000 0.223 122 S C 1.841 176.442 174.600 0.000 0.000 1.030 122 S CA 0.913 59.115 58.200 0.004 0.000 0.970 122 S CB -0.500 62.691 63.200 -0.015 0.000 0.830 122 S HN 0.831 nan 8.310 nan 0.000 0.473 123 G N 1.443 110.245 108.800 0.004 0.000 2.144 123 G HA2 -0.154 3.807 3.960 0.001 0.000 0.218 123 G HA3 -0.154 3.807 3.960 0.001 0.000 0.218 123 G C -0.272 174.624 174.900 -0.006 0.000 0.988 123 G CA 0.186 45.285 45.100 -0.002 0.000 0.659 123 G HN 0.967 nan 8.290 nan 0.000 0.522 124 E N -0.623 119.574 120.200 -0.005 0.000 2.393 124 E HA 0.667 5.017 4.350 0.001 0.000 0.273 124 E C 0.702 177.305 176.600 0.006 0.000 0.918 124 E CA -0.496 55.902 56.400 -0.004 0.000 0.773 124 E CB 1.808 31.502 29.700 -0.011 0.000 1.275 124 E HN 1.752 nan 8.360 nan 0.000 0.451 125 G N 1.532 110.340 108.800 0.014 0.000 2.645 125 G HA2 -0.265 3.696 3.960 0.001 0.000 0.239 125 G HA3 -0.265 3.696 3.960 0.001 0.000 0.239 125 G C -0.624 174.341 174.900 0.108 0.000 1.331 125 G CA 0.255 45.377 45.100 0.037 0.000 0.890 125 G HN 0.594 nan 8.290 nan 0.000 0.572 126 E N 1.244 121.563 120.200 0.199 0.000 3.898 126 E HA 0.374 4.724 4.350 0.001 0.000 0.219 126 E C -2.432 174.524 176.600 0.594 0.000 1.207 126 E CA -1.131 55.559 56.400 0.483 0.000 1.240 126 E CB 1.532 31.482 29.700 0.416 0.000 1.239 126 E HN 0.515 nan 8.360 nan 0.000 0.422 127 P HA 0.117 nan 4.420 nan 0.000 0.276 127 P C -0.531 177.050 177.300 0.470 0.000 1.230 127 P CA -0.118 63.081 63.100 0.165 0.000 0.776 127 P CB 1.154 32.586 31.700 -0.447 0.000 0.888 128 L N 2.307 123.750 121.223 0.367 0.000 2.346 128 L HA 0.747 5.088 4.340 0.001 0.000 0.276 128 L C 0.441 177.577 176.870 0.444 0.000 1.006 128 L CA -0.867 54.160 54.840 0.312 0.000 0.817 128 L CB 1.928 43.941 42.059 -0.076 0.000 1.272 128 L HN 0.382 nan 8.230 nan 0.000 0.421 129 A N 1.870 124.860 122.820 0.284 0.000 2.354 129 A HA 0.868 5.188 4.320 0.001 0.000 0.321 129 A C -0.664 176.920 177.584 -0.001 0.000 1.125 129 A CA -0.546 51.535 52.037 0.074 0.000 0.799 129 A CB 1.979 20.822 19.000 -0.262 0.000 1.293 129 A HN 0.522 nan 8.150 nan 0.000 0.452 130 S N 0.204 115.891 115.700 -0.022 0.000 2.592 130 S HA 0.444 4.915 4.470 0.001 0.000 0.275 130 S C -1.812 172.760 174.600 -0.045 0.000 1.169 130 S CA -0.484 57.696 58.200 -0.034 0.000 0.958 130 S CB 0.957 64.153 63.200 -0.006 0.000 1.095 130 S HN 1.322 nan 8.310 nan 0.000 0.471 131 L N 6.247 127.425 121.223 -0.076 0.000 2.261 131 L HA 0.593 4.933 4.340 0.001 0.000 0.289 131 L C -0.586 176.298 176.870 0.023 0.000 1.059 131 L CA 0.180 54.979 54.840 -0.069 0.000 0.816 131 L CB 0.163 42.108 42.059 -0.191 0.000 1.191 131 L HN 0.794 nan 8.230 nan 0.000 0.431 132 M N 5.763 125.391 119.600 0.047 0.000 2.206 132 M HA 0.195 4.675 4.480 0.001 0.000 0.353 132 M C 0.511 176.869 176.300 0.096 0.000 1.242 132 M CA -0.055 55.291 55.300 0.078 0.000 1.179 132 M CB 0.408 33.060 32.600 0.086 0.000 1.374 132 M HN 0.659 nan 8.290 nan 0.000 0.427 133 H N 0.225 119.299 119.070 0.008 0.000 2.521 133 H HA 0.287 4.844 4.556 0.001 0.000 0.267 133 H C 0.042 175.290 175.328 -0.132 0.000 0.963 133 H CA 0.193 56.181 56.048 -0.099 0.000 1.175 133 H CB 0.892 30.576 29.762 -0.129 0.000 1.450 133 H HN 0.453 nan 8.280 nan 0.000 0.472 134 S N 1.545 117.250 115.700 0.008 0.000 2.564 134 S HA 0.174 4.644 4.470 0.001 0.000 0.278 134 S C -0.161 174.446 174.600 0.013 0.000 1.333 134 S CA -0.134 58.079 58.200 0.023 0.000 1.048 134 S CB 1.392 64.722 63.200 0.217 0.000 0.900 134 S HN 0.360 nan 8.310 nan 0.000 0.505 135 E N 1.545 121.752 120.200 0.011 0.000 2.369 135 E HA 0.271 4.621 4.350 0.001 0.000 0.270 135 E C -2.091 174.509 176.600 -0.001 0.000 0.909 135 E CA -2.248 54.141 56.400 -0.017 0.000 0.775 135 E CB 1.147 30.819 29.700 -0.046 0.000 1.270 135 E HN 0.177 nan 8.360 nan 0.000 0.445 136 P HA -0.137 nan 4.420 nan 0.000 0.218 136 P C 0.267 177.554 177.300 -0.022 0.000 1.148 136 P CA 1.369 64.391 63.100 -0.130 0.000 0.822 136 P CB 0.137 31.740 31.700 -0.162 0.000 0.784 137 N N -1.134 117.567 118.700 0.002 0.000 2.398 137 N HA 0.197 4.937 4.740 0.001 0.000 0.188 137 N C 0.570 176.102 175.510 0.036 0.000 1.122 137 N CA 0.191 53.252 53.050 0.019 0.000 0.866 137 N CB 0.147 38.643 38.487 0.015 0.000 0.970 137 N HN 0.109 nan 8.380 nan 0.000 0.462 138 G N 0.301 109.133 108.800 0.053 0.000 2.707 138 G HA2 -0.216 3.745 3.960 0.001 0.000 0.686 138 G HA3 -0.216 3.745 3.960 0.001 0.000 0.686 138 G C 0.248 175.160 174.900 0.021 0.000 1.315 138 G CA -0.137 44.992 45.100 0.050 0.000 0.832 138 G HN 0.172 nan 8.290 nan 0.000 0.573 139 T N -2.574 111.983 114.554 0.006 0.000 3.130 139 T HA 0.578 4.929 4.350 0.001 0.000 0.288 139 T C 2.249 177.019 174.700 0.116 0.000 0.936 139 T CA 1.343 63.440 62.100 -0.005 0.000 0.897 139 T CB 0.545 69.296 68.868 -0.194 0.000 1.178 139 T HN 2.045 nan 8.240 nan 0.000 0.543 140 A N 2.830 125.698 122.820 0.081 0.000 2.032 140 A HA -0.102 4.219 4.320 0.001 0.000 0.221 140 A C 1.711 179.397 177.584 0.170 0.000 1.165 140 A CA 1.723 53.824 52.037 0.107 0.000 0.645 140 A CB -0.764 18.262 19.000 0.044 0.000 0.807 140 A HN 0.624 nan 8.150 nan 0.000 0.453 141 N N -0.603 118.194 118.700 0.161 0.000 2.214 141 N HA 0.053 4.793 4.740 0.001 0.000 0.214 141 N C 1.081 176.687 175.510 0.160 0.000 1.132 141 N CA 0.224 53.347 53.050 0.123 0.000 0.856 141 N CB 0.075 38.601 38.487 0.065 0.000 1.020 141 N HN 0.822 nan 8.380 nan 0.000 0.509 142 W N 0.777 122.073 121.300 -0.007 0.000 2.313 142 W HA -0.143 4.518 4.660 0.001 0.000 0.293 142 W C 0.156 176.676 176.519 0.002 0.000 1.216 142 W CA 0.676 58.017 57.345 -0.007 0.000 1.223 142 W CB -0.897 28.562 29.460 -0.001 0.000 1.138 142 W HN 0.105 nan 8.180 nan 0.000 0.535 143 L N 1.087 122.017 121.223 -0.489 0.000 2.628 143 L HA 0.181 4.522 4.340 0.001 0.000 0.229 143 L C 1.414 178.142 176.870 -0.236 0.000 1.137 143 L CA -0.004 54.519 54.840 -0.528 0.000 0.909 143 L CB -0.624 41.001 42.059 -0.724 0.000 1.137 143 L HN -0.070 nan 8.230 nan 0.000 0.470 144 Q N 2.439 122.165 119.800 -0.123 0.000 2.281 144 Q HA 0.029 4.370 4.340 0.001 0.000 0.267 144 Q C -0.021 175.942 176.000 -0.063 0.000 1.053 144 Q CA 0.040 55.801 55.803 -0.071 0.000 0.905 144 Q CB 0.726 29.447 28.738 -0.028 0.000 1.195 144 Q HN 0.086 nan 8.270 nan 0.000 0.398 145 K N 2.588 122.951 120.400 -0.062 0.000 2.416 145 K HA 0.128 4.449 4.320 0.001 0.000 0.283 145 K C 0.628 177.210 176.600 -0.030 0.000 1.037 145 K CA 1.167 57.426 56.287 -0.047 0.000 0.995 145 K CB 0.131 32.603 32.500 -0.046 0.000 0.938 145 K HN 0.884 nan 8.250 nan 0.000 0.475 146 G N 2.327 111.114 108.800 -0.022 0.000 2.175 146 G HA2 -0.214 3.746 3.960 0.001 0.000 0.244 146 G HA3 -0.214 3.746 3.960 0.001 0.000 0.244 146 G C 0.326 175.222 174.900 -0.007 0.000 0.982 146 G CA -0.166 44.926 45.100 -0.013 0.000 0.641 146 G HN 0.936 nan 8.290 nan 0.000 0.527 147 G N -0.115 108.681 108.800 -0.008 0.000 2.488 147 G HA2 0.678 4.639 3.960 0.001 0.000 0.318 147 G HA3 0.678 4.639 3.960 0.001 0.000 0.318 147 G C -0.512 174.393 174.900 0.009 0.000 1.188 147 G CA -0.366 44.735 45.100 0.003 0.000 0.944 147 G HN 0.069 nan 8.290 nan 0.000 0.495 148 P HA 0.065 nan 4.420 nan 0.000 0.230 148 P C 1.290 178.610 177.300 0.032 0.000 1.158 148 P CA 1.101 64.215 63.100 0.023 0.000 0.769 148 P CB -0.084 31.630 31.700 0.024 0.000 0.807 149 G N 0.725 109.550 108.800 0.042 0.000 2.740 149 G HA2 -0.274 3.687 3.960 0.001 0.000 0.250 149 G HA3 -0.274 3.687 3.960 0.001 0.000 0.250 149 G C -0.367 174.585 174.900 0.086 0.000 1.358 149 G CA -0.465 44.675 45.100 0.068 0.000 0.897 149 G HN 0.293 nan 8.290 nan 0.000 0.567 150 L N 0.322 121.615 121.223 0.118 0.000 2.543 150 L HA 0.059 4.400 4.340 0.001 0.000 0.285 150 L C 1.627 178.520 176.870 0.039 0.000 1.236 150 L CA 0.210 55.092 54.840 0.070 0.000 0.871 150 L CB 0.438 42.536 42.059 0.066 0.000 1.121 150 L HN 0.575 nan 8.230 nan 0.000 0.501 151 Q N 0.666 120.478 119.800 0.019 0.000 2.282 151 Q HA 0.132 4.472 4.340 0.001 0.000 0.206 151 Q C -0.075 175.942 176.000 0.027 0.000 0.878 151 Q CA 0.215 56.032 55.803 0.023 0.000 0.944 151 Q CB 0.580 29.330 28.738 0.020 0.000 1.100 151 Q HN 0.604 nan 8.270 nan 0.000 0.509 152 T N 2.397 116.961 114.554 0.017 0.000 2.733 152 T HA 0.365 4.715 4.350 0.001 0.000 0.294 152 T C 0.127 174.833 174.700 0.010 0.000 0.956 152 T CA -0.205 61.909 62.100 0.025 0.000 0.987 152 T CB 0.986 69.868 68.868 0.023 0.000 0.920 152 T HN 0.185 nan 8.240 nan 0.000 0.470 153 T N 0.237 114.804 114.554 0.022 0.000 2.908 153 T HA 0.855 5.206 4.350 0.001 0.000 0.290 153 T C -0.666 174.061 174.700 0.044 0.000 1.034 153 T CA -1.093 61.028 62.100 0.035 0.000 1.010 153 T CB 1.988 70.886 68.868 0.051 0.000 1.068 153 T HN 0.587 nan 8.240 nan 0.000 0.481 154 A N 2.299 125.171 122.820 0.087 0.000 2.371 154 A HA 0.840 5.160 4.320 0.001 0.000 0.311 154 A C -0.180 177.597 177.584 0.323 0.000 1.068 154 A CA -1.253 50.897 52.037 0.187 0.000 0.744 154 A CB 1.210 20.293 19.000 0.139 0.000 1.239 154 A HN 1.096 nan 8.150 nan 0.000 0.435 155 R N 0.979 121.657 120.500 0.297 0.000 2.740 155 R HA 0.722 5.062 4.340 0.001 0.000 0.282 155 R C -0.880 175.403 176.300 -0.027 0.000 0.969 155 R CA -0.923 55.278 56.100 0.169 0.000 0.918 155 R CB 1.502 31.836 30.300 0.055 0.000 1.175 155 R HN 0.386 nan 8.270 nan 0.000 0.464 156 K N 1.955 122.071 120.400 -0.472 0.000 2.276 156 K HA 0.227 4.548 4.320 0.001 0.000 0.285 156 K C -1.220 175.141 176.600 -0.398 0.000 1.062 156 K CA -0.414 55.345 56.287 -0.880 0.000 0.918 156 K CB 1.250 32.969 32.500 -1.302 0.000 1.055 156 K HN 0.508 nan 8.250 nan 0.000 0.477 157 V N 5.694 125.446 119.914 -0.269 0.000 2.327 157 V HA 0.508 4.628 4.120 0.001 0.000 0.272 157 V C 0.822 176.855 176.094 -0.102 0.000 1.019 157 V CA 0.167 62.395 62.300 -0.120 0.000 0.814 157 V CB 0.081 31.899 31.823 -0.008 0.000 1.040 157 V HN 1.076 nan 8.190 nan 0.000 0.440 158 G N 5.444 114.166 108.800 -0.131 0.000 2.559 158 G HA2 -0.304 3.657 3.960 0.001 0.000 0.282 158 G HA3 -0.304 3.657 3.960 0.001 0.000 0.282 158 G C 0.525 175.333 174.900 -0.152 0.000 1.177 158 G CA 0.584 45.617 45.100 -0.113 0.000 0.960 158 G HN 1.040 nan 8.290 nan 0.000 0.540 159 N N 1.854 120.495 118.700 -0.100 0.000 2.187 159 N HA 0.267 5.008 4.740 0.001 0.000 0.212 159 N C 0.286 175.802 175.510 0.010 0.000 1.152 159 N CA 0.811 53.814 53.050 -0.078 0.000 0.872 159 N CB 0.594 39.062 38.487 -0.031 0.000 1.025 159 N HN 0.792 nan 8.380 nan 0.000 0.514 160 E N -0.551 119.644 120.200 -0.008 0.000 2.249 160 E HA 0.400 4.750 4.350 0.001 0.000 0.263 160 E C -1.146 175.452 176.600 -0.004 0.000 0.950 160 E CA -0.825 55.635 56.400 0.099 0.000 0.827 160 E CB 1.271 31.071 29.700 0.167 0.000 1.220 160 E HN 0.102 nan 8.360 nan 0.000 0.411 161 W N 0.473 121.837 121.300 0.107 0.000 2.570 161 W HA 0.475 5.136 4.660 0.001 0.000 0.337 161 W C -0.935 175.589 176.519 0.009 0.000 1.067 161 W CA -0.499 56.884 57.345 0.063 0.000 1.229 161 W CB 1.399 30.892 29.460 0.054 0.000 1.355 161 W HN 0.125 nan 8.180 nan 0.000 0.555 162 V N 4.670 124.703 119.914 0.200 0.000 2.444 162 V HA 0.419 4.539 4.120 0.001 0.000 0.294 162 V C -0.244 175.889 176.094 0.067 0.000 1.022 162 V CA -1.020 61.276 62.300 -0.007 0.000 0.850 162 V CB 1.163 32.894 31.823 -0.153 0.000 0.992 162 V HN 0.339 nan 8.190 nan 0.000 0.426 163 I N 3.507 124.112 120.570 0.059 0.000 2.336 163 I HA 0.478 4.648 4.170 0.001 0.000 0.292 163 I C 0.085 176.249 176.117 0.079 0.000 0.991 163 I CA 0.109 61.415 61.300 0.010 0.000 1.227 163 I CB 1.652 39.515 38.000 -0.229 0.000 1.366 163 I HN 0.537 nan 8.210 nan 0.000 0.466 164 S N 4.156 119.896 115.700 0.067 0.000 2.552 164 S HA 0.902 5.372 4.470 0.001 0.000 0.314 164 S C 0.074 174.732 174.600 0.097 0.000 1.099 164 S CA -0.656 57.602 58.200 0.097 0.000 1.070 164 S CB 1.879 65.118 63.200 0.065 0.000 0.998 164 S HN 1.066 nan 8.310 nan 0.000 0.474 165 G N 2.443 111.324 108.800 0.134 0.000 2.369 165 G HA2 0.275 4.236 3.960 0.001 0.000 0.295 165 G HA3 0.275 4.236 3.960 0.001 0.000 0.295 165 G C -2.247 172.724 174.900 0.119 0.000 1.298 165 G CA -0.895 44.270 45.100 0.108 0.000 0.940 165 G HN 0.542 nan 8.290 nan 0.000 0.536 166 E N -0.076 120.162 120.200 0.064 0.000 2.288 166 E HA 0.608 4.958 4.350 0.001 0.000 0.268 166 E C -0.870 175.743 176.600 0.023 0.000 0.885 166 E CA -1.048 55.352 56.400 -0.000 0.000 0.767 166 E CB 2.292 31.995 29.700 0.006 0.000 1.220 166 E HN 0.240 nan 8.360 nan 0.000 0.427 167 K N 1.769 122.152 120.400 -0.028 0.000 2.318 167 K HA 0.594 4.914 4.320 0.001 0.000 0.249 167 K C -0.970 175.591 176.600 -0.064 0.000 0.942 167 K CA -0.756 55.516 56.287 -0.026 0.000 0.808 167 K CB 1.938 34.442 32.500 0.007 0.000 1.189 167 K HN 0.447 nan 8.250 nan 0.000 0.428 168 L N 1.857 123.006 121.223 -0.125 0.000 2.455 168 L HA 0.353 4.693 4.340 0.001 0.000 0.264 168 L C -0.727 176.007 176.870 -0.227 0.000 0.968 168 L CA -0.193 54.426 54.840 -0.370 0.000 0.827 168 L CB 1.276 42.936 42.059 -0.666 0.000 1.317 168 L HN 0.917 nan 8.230 nan 0.000 0.407 169 W N 0.711 121.967 121.300 -0.074 0.000 0.780 169 W HA -0.185 4.475 4.660 0.001 0.000 0.224 169 W C -1.836 174.656 176.519 -0.045 0.000 0.943 169 W CA -0.264 57.049 57.345 -0.053 0.000 0.351 169 W CB -1.789 27.649 29.460 -0.036 0.000 1.941 169 W HN 0.327 nan 8.180 nan 0.000 1.132 170 P HA 0.267 nan 4.420 nan 0.000 0.276 170 P C 0.237 177.545 177.300 0.014 0.000 1.264 170 P CA 0.788 63.940 63.100 0.086 0.000 0.769 170 P CB 1.407 33.146 31.700 0.064 0.000 0.840 171 S N 3.655 119.357 115.700 0.003 0.000 2.560 171 S HA 0.035 4.506 4.470 0.001 0.000 0.284 171 S C 1.061 175.591 174.600 -0.117 0.000 1.327 171 S CA 0.181 58.338 58.200 -0.072 0.000 1.055 171 S CB -0.427 62.751 63.200 -0.038 0.000 0.868 171 S HN 0.530 nan 8.310 nan 0.000 0.506 172 N N 0.216 118.773 118.700 -0.238 0.000 2.955 172 N HA -0.220 4.521 4.740 0.001 0.000 0.230 172 N C 1.326 176.771 175.510 -0.110 0.000 0.891 172 N CA 1.528 54.440 53.050 -0.229 0.000 1.002 172 N CB -1.996 36.402 38.487 -0.148 0.000 1.063 172 N HN 0.699 nan 8.380 nan 0.000 0.601 173 S N -0.719 114.942 115.700 -0.066 0.000 2.387 173 S HA -0.081 4.389 4.470 0.001 0.000 0.230 173 S C 1.908 176.559 174.600 0.084 0.000 1.035 173 S CA 1.548 59.755 58.200 0.011 0.000 1.014 173 S CB -0.760 62.437 63.200 -0.004 0.000 0.836 173 S HN 0.570 nan 8.310 nan 0.000 0.466 174 G N 0.514 109.366 108.800 0.087 0.000 2.985 174 G HA2 0.479 4.440 3.960 0.001 0.000 0.209 174 G HA3 0.479 4.440 3.960 0.001 0.000 0.209 174 G C 0.894 175.952 174.900 0.264 0.000 1.165 174 G CA 0.125 45.366 45.100 0.234 0.000 0.776 174 G HN 1.194 nan 8.290 nan 0.000 0.541 175 G N -0.817 108.056 108.800 0.121 0.000 2.697 175 G HA2 -0.309 3.652 3.960 0.001 0.000 0.240 175 G HA3 -0.309 3.652 3.960 0.001 0.000 0.240 175 G C 0.645 175.615 174.900 0.117 0.000 1.346 175 G CA 0.079 45.201 45.100 0.036 0.000 0.887 175 G HN 0.285 nan 8.290 nan 0.000 0.569 176 W N 0.098 121.516 121.300 0.196 0.000 2.465 176 W HA 0.216 4.877 4.660 0.001 0.000 0.268 176 W C 2.035 178.568 176.519 0.024 0.000 1.242 176 W CA 1.142 58.534 57.345 0.078 0.000 1.248 176 W CB 0.068 29.489 29.460 -0.065 0.000 1.118 176 W HN 0.699 nan 8.180 nan 0.000 0.587 177 D N -4.150 116.396 120.400 0.243 0.000 2.556 177 D HA -0.040 4.601 4.640 0.001 0.000 0.237 177 D C 0.189 176.593 176.300 0.174 0.000 1.296 177 D CA -0.665 53.408 54.000 0.123 0.000 0.807 177 D CB -0.950 39.933 40.800 0.140 0.000 1.084 177 D HN 0.042 nan 8.370 nan 0.000 0.510 178 Y N 0.422 120.819 120.300 0.162 0.000 4.668 178 Y HA -0.255 4.296 4.550 0.001 0.000 0.234 178 Y C 0.638 176.656 175.900 0.198 0.000 1.056 178 Y CA 0.167 58.357 58.100 0.151 0.000 2.025 178 Y CB -2.447 36.074 38.460 0.102 0.000 1.613 178 Y HN 0.270 nan 8.280 nan 0.000 0.653 179 K N 0.342 120.922 120.400 0.299 0.000 2.372 179 K HA 0.486 4.807 4.320 0.001 0.000 0.200 179 K C 1.063 177.719 176.600 0.093 0.000 1.022 179 K CA 0.564 56.961 56.287 0.183 0.000 1.125 179 K CB 0.660 33.244 32.500 0.140 0.000 0.855 179 K HN 0.416 nan 8.250 nan 0.000 0.524 180 G N 0.977 109.875 108.800 0.162 0.000 2.617 180 G HA2 0.042 4.002 3.960 0.001 0.000 0.686 180 G HA3 0.042 4.002 3.960 0.001 0.000 0.686 180 G C -0.888 174.082 174.900 0.116 0.000 1.214 180 G CA -0.725 44.435 45.100 0.101 0.000 0.796 180 G HN 0.188 nan 8.290 nan 0.000 0.654 181 A N 0.605 123.493 122.820 0.114 0.000 2.440 181 A HA 0.574 4.895 4.320 0.001 0.000 0.251 181 A C 1.294 178.967 177.584 0.148 0.000 1.089 181 A CA 0.986 53.088 52.037 0.108 0.000 0.779 181 A CB 0.095 19.153 19.000 0.096 0.000 1.022 181 A HN 0.895 nan 8.150 nan 0.000 0.492 182 D N -0.229 120.277 120.400 0.176 0.000 2.191 182 D HA -0.091 4.550 4.640 0.001 0.000 0.195 182 D C 0.284 176.752 176.300 0.281 0.000 1.003 182 D CA 2.005 56.119 54.000 0.190 0.000 0.867 182 D CB -0.154 40.707 40.800 0.102 0.000 0.926 182 D HN 0.351 nan 8.370 nan 0.000 0.450 183 L N -1.319 120.110 121.223 0.344 0.000 2.455 183 L HA 0.652 4.993 4.340 0.001 0.000 0.264 183 L C -1.931 175.015 176.870 0.126 0.000 0.968 183 L CA -0.946 54.053 54.840 0.265 0.000 0.827 183 L CB 2.060 44.336 42.059 0.362 0.000 1.317 183 L HN -0.123 nan 8.230 nan 0.000 0.407 184 A N 3.677 126.531 122.820 0.056 0.000 2.402 184 A HA 0.650 4.971 4.320 0.001 0.000 0.291 184 A C -1.102 176.458 177.584 -0.041 0.000 1.051 184 A CA -0.454 51.596 52.037 0.023 0.000 0.716 184 A CB 0.988 20.035 19.000 0.079 0.000 1.223 184 A HN 0.728 nan 8.150 nan 0.000 0.425 185 C N 3.105 122.364 119.300 -0.068 0.000 2.200 185 C HA 0.474 4.935 4.460 0.001 0.000 0.328 185 C C 0.533 175.485 174.990 -0.064 0.000 1.148 185 C CA -0.658 58.299 59.018 -0.101 0.000 1.624 185 C CB -0.785 26.884 27.740 -0.118 0.000 2.167 185 C HN 0.560 nan 8.230 nan 0.000 0.484 186 V N 5.109 124.969 119.914 -0.090 0.000 2.408 186 V HA 0.183 4.303 4.120 0.001 0.000 0.267 186 V C 0.314 176.348 176.094 -0.100 0.000 1.047 186 V CA -0.128 62.116 62.300 -0.094 0.000 0.937 186 V CB 0.773 32.473 31.823 -0.205 0.000 0.999 186 V HN 0.661 nan 8.190 nan 0.000 0.472 187 V N 4.936 124.825 119.914 -0.042 0.000 2.432 187 V HA 0.305 4.425 4.120 0.001 0.000 0.271 187 V C 0.231 176.298 176.094 -0.045 0.000 1.046 187 V CA -0.158 62.138 62.300 -0.008 0.000 0.945 187 V CB 0.785 32.677 31.823 0.116 0.000 0.992 187 V HN 1.008 nan 8.190 nan 0.000 0.471 188 C N 4.773 124.051 119.300 -0.036 0.000 2.779 188 C HA 0.632 5.093 4.460 0.001 0.000 0.314 188 C C 0.257 175.261 174.990 0.023 0.000 1.231 188 C CA -1.080 57.916 59.018 -0.036 0.000 1.652 188 C CB 1.855 29.538 27.740 -0.094 0.000 2.198 188 C HN 0.941 nan 8.230 nan 0.000 0.483 189 R N 1.115 121.639 120.500 0.040 0.000 2.265 189 R HA 0.565 4.906 4.340 0.001 0.000 0.319 189 R C -1.078 175.256 176.300 0.057 0.000 1.006 189 R CA -0.237 55.898 56.100 0.058 0.000 0.880 189 R CB 0.765 31.105 30.300 0.067 0.000 1.077 189 R HN 0.646 nan 8.270 nan 0.000 0.454 190 V N 3.866 123.821 119.914 0.068 0.000 2.446 190 V HA 0.098 4.218 4.120 0.001 0.000 0.276 190 V C 0.037 176.197 176.094 0.110 0.000 1.030 190 V CA 0.552 62.929 62.300 0.129 0.000 1.033 190 V CB 1.049 32.970 31.823 0.163 0.000 0.993 190 V HN 0.759 nan 8.190 nan 0.000 0.477 191 S N 3.316 119.086 115.700 0.117 0.000 2.750 191 S HA 0.275 4.746 4.470 0.001 0.000 0.276 191 S C 0.595 175.241 174.600 0.076 0.000 1.165 191 S CA -0.733 57.515 58.200 0.080 0.000 1.047 191 S CB 1.271 64.507 63.200 0.060 0.000 1.056 191 S HN 0.792 nan 8.310 nan 0.000 0.481 192 D N 2.486 122.920 120.400 0.058 0.000 2.190 192 D HA -0.077 4.563 4.640 0.001 0.000 0.200 192 D C 0.230 176.547 176.300 0.028 0.000 0.992 192 D CA 1.497 55.517 54.000 0.034 0.000 0.854 192 D CB 0.188 40.999 40.800 0.019 0.000 0.936 192 D HN 0.687 nan 8.370 nan 0.000 0.462 193 D N -1.181 119.237 120.400 0.030 0.000 2.421 193 D HA 0.134 4.774 4.640 0.001 0.000 0.254 193 D C -1.954 174.364 176.300 0.029 0.000 1.238 193 D CA -1.794 52.221 54.000 0.025 0.000 0.919 193 D CB 1.836 42.647 40.800 0.018 0.000 1.152 193 D HN -0.190 nan 8.370 nan 0.000 0.552 194 P HA -0.163 nan 4.420 nan 0.000 0.223 194 P C 1.153 178.469 177.300 0.027 0.000 1.144 194 P CA 0.772 63.892 63.100 0.033 0.000 0.783 194 P CB 0.193 31.915 31.700 0.036 0.000 0.771 195 S N -1.279 114.435 115.700 0.023 0.000 2.406 195 S HA -0.034 4.437 4.470 0.001 0.000 0.228 195 S C 1.136 175.747 174.600 0.017 0.000 1.020 195 S CA 0.298 58.510 58.200 0.019 0.000 0.965 195 S CB -0.667 62.543 63.200 0.016 0.000 0.798 195 S HN 0.064 nan 8.310 nan 0.000 0.488 196 K N 3.261 123.672 120.400 0.018 0.000 2.350 196 K HA 0.283 4.603 4.320 0.001 0.000 0.279 196 K C -2.439 174.172 176.600 0.018 0.000 1.027 196 K CA -1.842 54.455 56.287 0.016 0.000 0.969 196 K CB 0.383 32.892 32.500 0.016 0.000 0.954 196 K HN 0.314 nan 8.250 nan 0.000 0.474 197 P HA -0.075 nan 4.420 nan 0.000 0.269 197 P C -0.766 176.543 177.300 0.015 0.000 1.209 197 P CA -0.127 62.982 63.100 0.015 0.000 0.776 197 P CB 0.525 32.231 31.700 0.011 0.000 0.876 198 Q N 1.504 121.314 119.800 0.016 0.000 2.283 198 Q HA -0.081 4.260 4.340 0.001 0.000 0.301 198 Q C 0.078 176.083 176.000 0.008 0.000 1.063 198 Q CA 0.069 55.881 55.803 0.014 0.000 0.952 198 Q CB 0.120 28.867 28.738 0.014 0.000 1.166 198 Q HN 0.336 nan 8.270 nan 0.000 0.381 199 D N 6.108 126.513 120.400 0.007 0.000 2.412 199 D HA 0.004 4.644 4.640 0.001 0.000 0.257 199 D C -1.639 174.659 176.300 -0.002 0.000 1.217 199 D CA -1.717 52.285 54.000 0.004 0.000 0.897 199 D CB 1.109 41.912 40.800 0.005 0.000 1.132 199 D HN 0.424 nan 8.370 nan 0.000 0.493 200 P HA -0.093 nan 4.420 nan 0.000 0.231 200 P C 0.309 177.603 177.300 -0.010 0.000 1.158 200 P CA 0.614 63.710 63.100 -0.007 0.000 0.763 200 P CB 0.362 32.059 31.700 -0.005 0.000 0.805 201 N N -0.677 118.018 118.700 -0.008 0.000 2.325 201 N HA 0.024 4.764 4.740 0.001 0.000 0.182 201 N C 0.496 175.999 175.510 -0.013 0.000 1.088 201 N CA 0.085 53.130 53.050 -0.010 0.000 0.879 201 N CB 0.489 38.973 38.487 -0.006 0.000 0.983 201 N HN 0.087 nan 8.380 nan 0.000 0.471 202 V N 2.491 122.398 119.914 -0.013 0.000 2.509 202 V HA 0.071 4.192 4.120 0.001 0.000 0.284 202 V C -0.661 175.415 176.094 -0.030 0.000 1.047 202 V CA -0.623 61.667 62.300 -0.017 0.000 0.952 202 V CB 1.196 33.014 31.823 -0.010 0.000 0.988 202 V HN 0.049 nan 8.190 nan 0.000 0.469 203 D N 8.596 128.974 120.400 -0.037 0.000 2.401 203 D HA 0.134 4.775 4.640 0.001 0.000 0.254 203 D C -1.610 174.647 176.300 -0.073 0.000 1.192 203 D CA -1.271 52.694 54.000 -0.058 0.000 0.885 203 D CB 1.458 42.222 40.800 -0.059 0.000 1.147 203 D HN 0.384 nan 8.370 nan 0.000 0.478 204 P HA -0.186 nan 4.420 nan 0.000 0.217 204 P C 1.121 178.330 177.300 -0.152 0.000 1.148 204 P CA 1.316 64.347 63.100 -0.116 0.000 0.828 204 P CB 0.263 31.869 31.700 -0.157 0.000 0.783 205 A N -0.417 122.289 122.820 -0.190 0.000 2.019 205 A HA -0.179 4.142 4.320 0.001 0.000 0.219 205 A C 2.142 179.665 177.584 -0.101 0.000 1.164 205 A CA 2.247 54.166 52.037 -0.196 0.000 0.644 205 A CB -1.911 16.976 19.000 -0.188 0.000 0.805 205 A HN 0.360 nan 8.150 nan 0.000 0.449 206 T N -3.600 110.912 114.554 -0.069 0.000 3.113 206 T HA -0.003 4.347 4.350 0.001 0.000 0.263 206 T C 1.179 175.871 174.700 -0.013 0.000 1.143 206 T CA 1.065 63.145 62.100 -0.034 0.000 1.090 206 T CB -0.047 68.807 68.868 -0.023 0.000 0.922 206 T HN 0.354 nan 8.240 nan 0.000 0.521 207 Q N 0.398 120.188 119.800 -0.017 0.000 2.198 207 Q HA 0.354 4.695 4.340 0.001 0.000 0.209 207 Q C -0.104 175.908 176.000 0.019 0.000 0.848 207 Q CA -0.169 55.641 55.803 0.012 0.000 0.974 207 Q CB 0.465 29.213 28.738 0.017 0.000 1.115 207 Q HN 0.508 nan 8.270 nan 0.000 0.494 208 I N 1.186 121.763 120.570 0.011 0.000 2.395 208 I HA 0.441 4.611 4.170 0.001 0.000 0.289 208 I C 0.286 176.399 176.117 -0.006 0.000 1.023 208 I CA -0.641 60.688 61.300 0.049 0.000 1.350 208 I CB 0.621 38.685 38.000 0.107 0.000 1.409 208 I HN -0.125 nan 8.210 nan 0.000 0.507 209 A N 6.390 129.180 122.820 -0.051 0.000 2.469 209 A HA 0.842 5.162 4.320 0.001 0.000 0.299 209 A C -1.066 176.423 177.584 -0.158 0.000 1.098 209 A CA -0.531 51.403 52.037 -0.172 0.000 0.737 209 A CB 1.914 20.688 19.000 -0.376 0.000 1.312 209 A HN 0.380 nan 8.150 nan 0.000 0.414 210 V N 1.823 121.614 119.914 -0.205 0.000 2.483 210 V HA 0.439 4.560 4.120 0.001 0.000 0.297 210 V C -0.764 175.172 176.094 -0.262 0.000 1.027 210 V CA -0.151 62.041 62.300 -0.181 0.000 0.855 210 V CB 1.176 32.926 31.823 -0.122 0.000 0.995 210 V HN 0.725 nan 8.190 nan 0.000 0.424 211 L N 5.500 126.570 121.223 -0.256 0.000 2.322 211 L HA 0.573 4.914 4.340 0.001 0.000 0.281 211 L C -0.431 176.315 176.870 -0.207 0.000 1.014 211 L CA -0.460 54.224 54.840 -0.260 0.000 0.815 211 L CB 1.786 43.697 42.059 -0.248 0.000 1.247 211 L HN 0.445 nan 8.230 nan 0.000 0.421 212 L N 4.301 125.376 121.223 -0.247 0.000 2.319 212 L HA 0.407 4.748 4.340 0.001 0.000 0.280 212 L C -0.520 176.283 176.870 -0.113 0.000 1.099 212 L CA -0.446 54.217 54.840 -0.295 0.000 0.828 212 L CB 1.041 42.675 42.059 -0.708 0.000 1.150 212 L HN 0.278 nan 8.230 nan 0.000 0.442 213 V N 2.162 122.059 119.914 -0.028 0.000 2.483 213 V HA 0.447 4.567 4.120 0.001 0.000 0.297 213 V C 0.283 176.452 176.094 0.126 0.000 1.027 213 V CA -0.501 61.864 62.300 0.108 0.000 0.855 213 V CB 2.015 33.918 31.823 0.134 0.000 0.995 213 V HN 0.930 nan 8.190 nan 0.000 0.424 214 T N 1.788 116.449 114.554 0.179 0.000 2.919 214 T HA 0.479 4.830 4.350 0.001 0.000 0.282 214 T C 1.044 175.821 174.700 0.128 0.000 1.020 214 T CA -0.665 61.544 62.100 0.181 0.000 0.994 214 T CB 1.610 70.627 68.868 0.248 0.000 1.180 214 T HN 0.421 nan 8.240 nan 0.000 0.566 215 R N 0.018 120.582 120.500 0.107 0.000 2.096 215 R HA -0.084 4.256 4.340 0.001 0.000 0.235 215 R C 2.449 178.791 176.300 0.070 0.000 1.127 215 R CA 1.774 57.915 56.100 0.069 0.000 0.968 215 R CB -0.338 30.009 30.300 0.078 0.000 0.861 215 R HN 0.882 nan 8.270 nan 0.000 0.440 216 E N 0.126 120.378 120.200 0.086 0.000 2.038 216 E HA -0.183 4.168 4.350 0.001 0.000 0.195 216 E C 1.428 178.075 176.600 0.078 0.000 1.000 216 E CA 2.020 58.464 56.400 0.074 0.000 0.803 216 E CB 0.055 29.800 29.700 0.075 0.000 0.750 216 E HN 0.221 nan 8.360 nan 0.000 0.448 217 T N 1.217 115.840 114.554 0.116 0.000 2.737 217 T HA -0.184 4.166 4.350 0.001 0.000 0.269 217 T C 1.892 176.665 174.700 0.121 0.000 1.040 217 T CA 1.624 63.797 62.100 0.121 0.000 1.142 217 T CB -0.257 68.747 68.868 0.227 0.000 0.861 217 T HN 0.222 nan 8.240 nan 0.000 0.456 218 I N 1.249 121.929 120.570 0.185 0.000 2.286 218 I HA -0.085 4.086 4.170 0.001 0.000 0.245 218 I C 2.968 179.138 176.117 0.089 0.000 1.104 218 I CA 0.934 62.340 61.300 0.176 0.000 1.397 218 I CB -0.503 37.412 38.000 -0.142 0.000 1.072 218 I HN 0.193 nan 8.210 nan 0.000 0.417 219 A N 0.956 123.809 122.820 0.055 0.000 1.972 219 A HA -0.162 4.159 4.320 0.001 0.000 0.219 219 A C 1.625 179.226 177.584 0.028 0.000 1.169 219 A CA 1.587 53.651 52.037 0.045 0.000 0.635 219 A CB -0.562 18.463 19.000 0.042 0.000 0.810 219 A HN 0.414 nan 8.150 nan 0.000 0.446 220 N N 0.961 119.664 118.700 0.006 0.000 2.362 220 N HA 0.074 4.815 4.740 0.001 0.000 0.211 220 N C -0.545 174.930 175.510 -0.057 0.000 1.170 220 N CA 0.168 53.205 53.050 -0.022 0.000 0.828 220 N CB -0.173 38.298 38.487 -0.027 0.000 1.034 220 N HN 0.464 nan 8.380 nan 0.000 0.475 221 N N 0.340 119.019 118.700 -0.035 0.000 2.321 221 N HA 0.211 4.952 4.740 0.001 0.000 0.290 221 N C -0.512 175.035 175.510 0.061 0.000 1.212 221 N CA -0.526 52.504 53.050 -0.033 0.000 0.767 221 N CB 2.264 40.655 38.487 -0.160 0.000 1.494 221 N HN -0.111 nan 8.380 nan 0.000 0.479 222 K N 1.363 121.813 120.400 0.084 0.000 2.436 222 K HA 0.029 4.349 4.320 0.001 0.000 0.275 222 K C 1.186 177.870 176.600 0.141 0.000 0.999 222 K CA -0.098 56.248 56.287 0.099 0.000 0.980 222 K CB 1.088 33.646 32.500 0.097 0.000 0.919 222 K HN 0.341 nan 8.250 nan 0.000 0.484 223 K N 1.916 122.385 120.400 0.115 0.000 2.189 223 K HA -0.211 4.109 4.320 0.001 0.000 0.207 223 K C 0.932 177.615 176.600 0.137 0.000 1.046 223 K CA 2.083 58.445 56.287 0.125 0.000 0.928 223 K CB -0.083 32.471 32.500 0.089 0.000 0.720 223 K HN 0.711 nan 8.250 nan 0.000 0.458 224 D N -1.475 118.995 120.400 0.117 0.000 2.368 224 D HA 0.082 4.722 4.640 0.001 0.000 0.218 224 D C 1.023 177.402 176.300 0.131 0.000 1.112 224 D CA 0.157 54.212 54.000 0.092 0.000 0.834 224 D CB 0.275 41.106 40.800 0.052 0.000 0.953 224 D HN 0.004 nan 8.370 nan 0.000 0.505 225 A N -0.399 122.561 122.820 0.232 0.000 2.123 225 A HA 0.112 4.433 4.320 0.001 0.000 0.214 225 A C 0.044 177.911 177.584 0.472 0.000 1.152 225 A CA 0.202 52.456 52.037 0.361 0.000 0.728 225 A CB -0.338 18.916 19.000 0.424 0.000 0.814 225 A HN 0.374 nan 8.150 nan 0.000 0.464 226 Y N 0.749 121.145 120.300 0.160 0.000 2.301 226 Y HA 0.435 4.985 4.550 0.001 0.000 0.325 226 Y C -1.062 174.753 175.900 -0.142 0.000 1.103 226 Y CA -0.830 57.216 58.100 -0.091 0.000 1.182 226 Y CB 0.717 39.176 38.460 -0.002 0.000 1.139 226 Y HN 0.393 nan 8.280 nan 0.000 0.443 227 Q N 5.910 125.435 119.800 -0.457 0.000 2.372 227 Q HA 0.566 4.907 4.340 0.001 0.000 0.273 227 Q C -1.439 174.206 176.000 -0.592 0.000 1.078 227 Q CA -1.298 54.278 55.803 -0.379 0.000 0.806 227 Q CB 2.875 31.481 28.738 -0.220 0.000 1.332 227 Q HN 0.475 nan 8.270 nan 0.000 0.435 228 I N 3.582 123.851 120.570 -0.502 0.000 2.291 228 I HA 0.090 4.260 4.170 0.001 0.000 0.290 228 I C 0.914 176.769 176.117 -0.437 0.000 1.050 228 I CA -0.184 60.753 61.300 -0.605 0.000 1.245 228 I CB 0.510 37.960 38.000 -0.918 0.000 1.405 228 I HN 0.803 nan 8.210 nan 0.000 0.478 229 L N 5.266 126.216 121.223 -0.455 0.000 2.240 229 L HA 0.218 4.559 4.340 0.001 0.000 0.211 229 L C 1.120 177.877 176.870 -0.188 0.000 1.106 229 L CA 0.366 54.997 54.840 -0.349 0.000 0.793 229 L CB -0.161 41.553 42.059 -0.575 0.000 0.927 229 L HN 0.766 nan 8.230 nan 0.000 0.446 230 G N -0.483 108.211 108.800 -0.176 0.000 2.451 230 G HA2 0.391 4.352 3.960 0.001 0.000 0.292 230 G HA3 0.391 4.352 3.960 0.001 0.000 0.292 230 G C -1.933 172.900 174.900 -0.111 0.000 1.427 230 G CA -0.436 44.609 45.100 -0.091 0.000 0.792 230 G HN -0.130 nan 8.290 nan 0.000 0.498 231 E N 0.586 120.755 120.200 -0.052 0.000 2.279 231 E HA 0.605 4.955 4.350 0.001 0.000 0.252 231 E C -2.491 174.079 176.600 -0.050 0.000 0.894 231 E CA -1.564 54.816 56.400 -0.033 0.000 0.785 231 E CB 1.645 31.405 29.700 0.100 0.000 1.237 231 E HN 0.278 nan 8.360 nan 0.000 0.418 232 P HA -0.021 nan 4.420 nan 0.000 0.261 232 P C -0.812 176.497 177.300 0.016 0.000 1.173 232 P CA 0.272 63.322 63.100 -0.083 0.000 0.760 232 P CB 0.512 32.125 31.700 -0.145 0.000 0.783 233 E N 3.285 123.501 120.200 0.028 0.000 2.105 233 E HA 0.183 4.534 4.350 0.001 0.000 0.285 233 E C -0.007 176.634 176.600 0.068 0.000 1.055 233 E CA -0.189 56.239 56.400 0.046 0.000 0.843 233 E CB 0.531 30.251 29.700 0.034 0.000 1.067 233 E HN 0.410 nan 8.360 nan 0.000 0.398 234 L N 1.491 122.760 121.223 0.077 0.000 2.357 234 L HA 0.264 4.605 4.340 0.001 0.000 0.273 234 L C 1.605 178.500 176.870 0.042 0.000 1.080 234 L CA -0.461 54.431 54.840 0.087 0.000 0.803 234 L CB 1.184 43.308 42.059 0.109 0.000 1.174 234 L HN 0.531 nan 8.230 nan 0.000 0.443 235 A N 2.550 125.385 122.820 0.025 0.000 1.883 235 A HA 0.081 4.402 4.320 0.001 0.000 0.217 235 A C 0.982 178.543 177.584 -0.038 0.000 1.186 235 A CA 1.742 53.773 52.037 -0.010 0.000 0.624 235 A CB -0.477 18.508 19.000 -0.026 0.000 0.822 235 A HN 0.847 nan 8.150 nan 0.000 0.444 236 G N -4.978 103.793 108.800 -0.048 0.000 2.766 236 G HA2 0.480 4.441 3.960 0.001 0.000 0.288 236 G HA3 0.480 4.441 3.960 0.001 0.000 0.288 236 G C -0.545 174.328 174.900 -0.045 0.000 1.408 236 G CA -0.062 44.964 45.100 -0.124 0.000 0.852 236 G HN 0.462 nan 8.290 nan 0.000 0.487 237 H N -0.783 118.248 119.070 -0.065 0.000 2.748 237 H HA -0.165 4.392 4.556 0.001 0.000 0.322 237 H C 1.587 176.888 175.328 -0.045 0.000 1.208 237 H CA 1.022 57.048 56.048 -0.036 0.000 1.151 237 H CB -1.397 28.364 29.762 -0.003 0.000 1.505 237 H HN 0.712 nan 8.280 nan 0.000 0.429 238 I N -1.969 118.585 120.570 -0.028 0.000 3.334 238 I HA -0.054 4.116 4.170 0.001 0.000 0.282 238 I C 1.766 177.862 176.117 -0.036 0.000 1.313 238 I CA 1.575 62.861 61.300 -0.024 0.000 1.396 238 I CB 0.038 38.018 38.000 -0.033 0.000 1.054 238 I HN 0.268 nan 8.210 nan 0.000 0.495 239 T N -2.737 111.773 114.554 -0.074 0.000 3.174 239 T HA 0.177 4.528 4.350 0.001 0.000 0.269 239 T C 0.599 175.392 174.700 0.155 0.000 1.017 239 T CA -0.160 61.928 62.100 -0.021 0.000 0.899 239 T CB -0.251 68.457 68.868 -0.268 0.000 1.077 239 T HN 0.311 nan 8.240 nan 0.000 0.552 240 T N 1.218 115.808 114.554 0.061 0.000 2.912 240 T HA 0.603 4.953 4.350 0.001 0.000 0.280 240 T C -0.614 173.899 174.700 -0.311 0.000 0.989 240 T CA -0.448 61.599 62.100 -0.087 0.000 0.995 240 T CB 1.433 70.292 68.868 -0.014 0.000 1.077 240 T HN 0.335 nan 8.240 nan 0.000 0.531 241 S N 0.386 115.674 115.700 -0.686 0.000 2.594 241 S HA 0.692 5.162 4.470 0.001 0.000 0.296 241 S C -0.322 174.085 174.600 -0.322 0.000 1.124 241 S CA -0.265 57.607 58.200 -0.547 0.000 1.011 241 S CB 0.990 63.629 63.200 -0.934 0.000 1.016 241 S HN 1.102 nan 8.310 nan 0.000 0.485 242 G N 4.917 113.633 108.800 -0.140 0.000 4.079 242 G HA2 0.477 4.437 3.960 0.001 0.000 0.271 242 G HA3 0.477 4.437 3.960 0.001 0.000 0.271 242 G C -3.323 171.512 174.900 -0.109 0.000 1.144 242 G CA -0.951 44.109 45.100 -0.067 0.000 0.700 242 G HN 0.565 nan 8.290 nan 0.000 0.500 243 P HA 0.160 nan 4.420 nan 0.000 0.277 243 P C -0.401 176.755 177.300 -0.239 0.000 1.271 243 P CA -0.444 62.532 63.100 -0.208 0.000 0.795 243 P CB 0.707 32.237 31.700 -0.283 0.000 1.101 244 H N -0.305 118.532 119.070 -0.388 0.000 2.668 244 H HA 0.288 4.845 4.556 0.001 0.000 0.303 244 H C -0.708 174.353 175.328 -0.445 0.000 1.074 244 H CA -0.194 55.616 56.048 -0.396 0.000 1.406 244 H CB 0.135 29.686 29.762 -0.352 0.000 1.442 244 H HN 0.205 nan 8.280 nan 0.000 0.482 245 T N 6.766 121.077 114.554 -0.404 0.000 2.809 245 T HA 0.226 4.577 4.350 0.001 0.000 0.284 245 T C -0.282 173.984 174.700 -0.723 0.000 0.992 245 T CA -0.728 60.953 62.100 -0.699 0.000 0.957 245 T CB 1.181 69.584 68.868 -0.774 0.000 0.942 245 T HN 0.572 nan 8.240 nan 0.000 0.439 246 R N 2.843 122.883 120.500 -0.767 0.000 2.295 246 R HA 0.477 4.818 4.340 0.001 0.000 0.324 246 R C -1.339 174.617 176.300 -0.573 0.000 0.968 246 R CA -0.642 55.126 56.100 -0.553 0.000 0.837 246 R CB 0.497 30.564 30.300 -0.388 0.000 1.133 246 R HN 0.436 nan 8.270 nan 0.000 0.450 247 F N 2.441 122.279 119.950 -0.186 0.000 2.371 247 F HA 0.267 4.794 4.527 0.001 0.000 0.363 247 F C 0.265 176.067 175.800 0.002 0.000 1.122 247 F CA -0.204 57.746 58.000 -0.083 0.000 1.129 247 F CB 2.049 41.000 39.000 -0.082 0.000 1.173 247 F HN 0.278 nan 8.300 nan 0.000 0.489 248 T N 3.983 118.669 114.554 0.221 0.000 2.842 248 T HA 0.214 4.565 4.350 0.001 0.000 0.308 248 T C -0.537 174.271 174.700 0.181 0.000 1.041 248 T CA -0.755 61.437 62.100 0.153 0.000 0.964 248 T CB 0.629 69.548 68.868 0.085 0.000 0.972 248 T HN 0.450 nan 8.240 nan 0.000 0.460 249 E N 1.525 121.802 120.200 0.128 0.000 2.222 249 E HA -0.211 4.140 4.350 0.001 0.000 0.189 249 E C -0.767 175.859 176.600 0.044 0.000 1.415 249 E CA 0.420 56.841 56.400 0.036 0.000 0.689 249 E CB -1.088 28.638 29.700 0.044 0.000 1.107 249 E HN 0.699 nan 8.360 nan 0.000 0.350 250 F N 2.472 122.398 119.950 -0.040 0.000 2.391 250 F HA 0.209 4.737 4.527 0.001 0.000 0.359 250 F C 0.813 176.567 175.800 -0.076 0.000 1.122 250 F CA -0.630 57.401 58.000 0.051 0.000 1.120 250 F CB 0.616 39.766 39.000 0.249 0.000 1.142 250 F HN 0.051 nan 8.300 nan 0.000 0.483 251 H N 5.503 124.371 119.070 -0.336 0.000 2.527 251 H HA 0.510 5.067 4.556 0.001 0.000 0.321 251 H C -0.775 174.436 175.328 -0.194 0.000 1.087 251 H CA -0.400 55.543 56.048 -0.175 0.000 1.337 251 H CB 1.761 31.438 29.762 -0.140 0.000 1.440 251 H HN 0.346 nan 8.280 nan 0.000 0.490 252 V N 5.961 125.960 119.914 0.141 0.000 2.569 252 V HA 0.175 4.296 4.120 0.001 0.000 0.301 252 V C -2.204 174.030 176.094 0.235 0.000 1.044 252 V CA -1.867 60.534 62.300 0.168 0.000 0.874 252 V CB 2.166 34.109 31.823 0.200 0.000 1.002 252 V HN 0.654 nan 8.190 nan 0.000 0.424 253 P HA -0.027 nan 4.420 nan 0.000 0.265 253 P C 0.466 177.948 177.300 0.304 0.000 1.187 253 P CA 0.367 63.593 63.100 0.211 0.000 0.766 253 P CB 0.639 32.434 31.700 0.158 0.000 0.820 254 H N 2.845 122.069 119.070 0.257 0.000 2.489 254 H HA -0.147 4.410 4.556 0.001 0.000 0.293 254 H C 1.699 177.170 175.328 0.238 0.000 1.066 254 H CA 1.886 58.145 56.048 0.353 0.000 1.305 254 H CB 0.132 30.040 29.762 0.245 0.000 1.386 254 H HN 0.439 nan 8.280 nan 0.000 0.551 255 E N 0.005 120.295 120.200 0.150 0.000 2.204 255 E HA -0.196 4.155 4.350 0.001 0.000 0.194 255 E C 1.319 177.961 176.600 0.069 0.000 0.989 255 E CA 1.200 57.653 56.400 0.088 0.000 0.824 255 E CB -0.468 29.313 29.700 0.135 0.000 0.756 255 E HN 0.686 nan 8.360 nan 0.000 0.477 256 N N 0.714 119.468 118.700 0.090 0.000 2.512 256 N HA -0.025 4.715 4.740 0.001 0.000 0.183 256 N C 0.316 175.743 175.510 -0.139 0.000 1.073 256 N CA -0.288 52.780 53.050 0.030 0.000 0.911 256 N CB -0.033 38.496 38.487 0.070 0.000 0.964 256 N HN 0.062 nan 8.380 nan 0.000 0.447 257 L N 2.033 123.137 121.223 -0.197 0.000 2.534 257 L HA -0.040 4.300 4.340 0.001 0.000 0.271 257 L C 1.065 177.793 176.870 -0.237 0.000 1.178 257 L CA 0.255 54.900 54.840 -0.325 0.000 0.907 257 L CB 0.648 42.446 42.059 -0.434 0.000 1.164 257 L HN 0.046 nan 8.230 nan 0.000 0.482 258 L N 6.601 127.685 121.223 -0.232 0.000 2.141 258 L HA 0.081 4.421 4.340 0.001 0.000 0.209 258 L C 0.760 177.557 176.870 -0.122 0.000 1.094 258 L CA 1.569 56.304 54.840 -0.174 0.000 0.763 258 L CB -0.065 41.884 42.059 -0.183 0.000 0.908 258 L HN 0.939 nan 8.230 nan 0.000 0.437 259 C N -5.225 113.999 119.300 -0.126 0.000 3.272 259 C HA 0.470 4.931 4.460 0.001 0.000 0.363 259 C C 0.172 175.120 174.990 -0.070 0.000 1.514 259 C CA -0.605 58.365 59.018 -0.080 0.000 1.185 259 C CB 0.511 28.211 27.740 -0.066 0.000 1.716 259 C HN 0.137 nan 8.230 nan 0.000 0.440 260 T N 3.408 117.946 114.554 -0.027 0.000 2.817 260 T HA 0.400 4.751 4.350 0.001 0.000 0.295 260 T C -2.377 172.314 174.700 -0.016 0.000 0.958 260 T CA 0.442 62.546 62.100 0.006 0.000 1.157 260 T CB -0.073 68.808 68.868 0.022 0.000 0.898 260 T HN 0.677 nan 8.240 nan 0.000 0.536 261 P HA 0.384 nan 4.420 nan 0.000 0.268 261 P C 0.793 178.093 177.300 -0.001 0.000 1.208 261 P CA 0.641 63.724 63.100 -0.028 0.000 0.777 261 P CB 0.331 32.027 31.700 -0.007 0.000 0.875 262 G N 0.115 108.909 108.800 -0.009 0.000 2.416 262 G HA2 -0.204 3.756 3.960 0.001 0.000 0.203 262 G HA3 -0.204 3.756 3.960 0.001 0.000 0.203 262 G C 0.577 175.463 174.900 -0.024 0.000 1.227 262 G CA -0.275 44.818 45.100 -0.012 0.000 1.041 262 G HN 0.418 nan 8.290 nan 0.000 0.546 263 L N 0.368 121.572 121.223 -0.030 0.000 2.189 263 L HA -0.092 4.249 4.340 0.001 0.000 0.214 263 L C 2.877 179.720 176.870 -0.044 0.000 1.097 263 L CA 2.154 56.970 54.840 -0.041 0.000 0.764 263 L CB -0.384 41.652 42.059 -0.038 0.000 0.900 263 L HN 0.620 nan 8.230 nan 0.000 0.436 264 K N 0.191 120.568 120.400 -0.040 0.000 2.116 264 K HA -0.068 4.253 4.320 0.001 0.000 0.203 264 K C 2.226 178.795 176.600 -0.050 0.000 1.052 264 K CA 0.972 57.228 56.287 -0.051 0.000 0.952 264 K CB 0.036 32.511 32.500 -0.042 0.000 0.729 264 K HN 0.256 nan 8.250 nan 0.000 0.446 265 A N 1.013 123.812 122.820 -0.034 0.000 1.897 265 A HA -0.162 4.159 4.320 0.001 0.000 0.215 265 A C 2.097 179.699 177.584 0.030 0.000 1.181 265 A CA 1.070 53.094 52.037 -0.021 0.000 0.620 265 A CB -0.511 18.473 19.000 -0.027 0.000 0.821 265 A HN 0.303 nan 8.150 nan 0.000 0.443 266 Q N 0.115 119.940 119.800 0.042 0.000 2.084 266 Q HA -0.143 4.198 4.340 0.001 0.000 0.202 266 Q C 2.101 178.140 176.000 0.066 0.000 0.978 266 Q CA 1.974 57.837 55.803 0.100 0.000 0.844 266 Q CB -0.884 27.847 28.738 -0.012 0.000 0.898 266 Q HN 0.564 nan 8.270 nan 0.000 0.426 267 G N 1.154 109.939 108.800 -0.025 0.000 2.469 267 G HA2 -0.234 3.726 3.960 0.001 0.000 0.219 267 G HA3 -0.234 3.726 3.960 0.001 0.000 0.219 267 G C 1.584 176.407 174.900 -0.128 0.000 1.150 267 G CA 0.894 45.928 45.100 -0.112 0.000 0.763 267 G HN 0.370 nan 8.290 nan 0.000 0.561 268 L N 0.107 121.282 121.223 -0.079 0.000 2.109 268 L HA -0.041 4.300 4.340 0.001 0.000 0.207 268 L C 2.970 179.824 176.870 -0.026 0.000 1.086 268 L CA 0.374 55.164 54.840 -0.082 0.000 0.760 268 L CB -0.488 41.526 42.059 -0.075 0.000 0.910 268 L HN 0.108 nan 8.230 nan 0.000 0.437 269 V N 0.000 119.950 119.914 0.060 0.000 2.307 269 V HA -0.266 3.854 4.120 0.001 0.000 0.245 269 V C 2.473 178.708 176.094 0.236 0.000 1.045 269 V CA 1.857 64.248 62.300 0.151 0.000 1.024 269 V CB -0.419 31.540 31.823 0.227 0.000 0.651 269 V HN 0.481 nan 8.190 nan 0.000 0.449 270 E N 0.201 120.529 120.200 0.215 0.000 2.058 270 E HA -0.254 4.097 4.350 0.001 0.000 0.194 270 E C 2.201 178.962 176.600 0.269 0.000 0.997 270 E CA 2.123 58.676 56.400 0.256 0.000 0.801 270 E CB -0.166 29.669 29.700 0.224 0.000 0.746 270 E HN 0.625 nan 8.360 nan 0.000 0.450 271 T N 0.597 115.190 114.554 0.065 0.000 2.746 271 T HA -0.124 4.227 4.350 0.001 0.000 0.267 271 T C 1.837 176.595 174.700 0.096 0.000 1.039 271 T CA 1.241 63.340 62.100 -0.002 0.000 1.142 271 T CB -0.295 68.353 68.868 -0.366 0.000 0.866 271 T HN 0.349 nan 8.240 nan 0.000 0.444 272 A N 0.872 123.694 122.820 0.004 0.000 1.877 272 A HA 0.027 4.347 4.320 0.001 0.000 0.216 272 A C 1.975 179.475 177.584 -0.139 0.000 1.186 272 A CA 1.248 53.218 52.037 -0.110 0.000 0.620 272 A CB -1.017 17.845 19.000 -0.229 0.000 0.822 272 A HN 0.493 nan 8.150 nan 0.000 0.443 273 F N 0.026 119.953 119.950 -0.039 0.000 2.407 273 F HA -0.001 4.526 4.527 0.001 0.000 0.299 273 F C 2.664 178.462 175.800 -0.003 0.000 1.097 273 F CA 0.692 58.652 58.000 -0.066 0.000 1.422 273 F CB -0.068 38.859 39.000 -0.122 0.000 1.067 273 F HN 0.272 nan 8.300 nan 0.000 0.539 274 A N -0.017 122.953 122.820 0.249 0.000 1.933 274 A HA -0.180 4.140 4.320 0.001 0.000 0.218 274 A C 2.244 179.900 177.584 0.120 0.000 1.175 274 A CA 1.414 53.574 52.037 0.206 0.000 0.628 274 A CB -0.469 18.753 19.000 0.371 0.000 0.814 274 A HN 0.241 nan 8.150 nan 0.000 0.444 275 M N 0.389 120.052 119.600 0.106 0.000 2.156 275 M HA -0.097 4.383 4.480 0.001 0.000 0.264 275 M C 2.496 178.794 176.300 -0.004 0.000 1.067 275 M CA 1.808 57.137 55.300 0.049 0.000 1.131 275 M CB -1.063 31.552 32.600 0.026 0.000 1.368 275 M HN 0.636 nan 8.290 nan 0.000 0.416 276 S N 1.015 116.684 115.700 -0.051 0.000 2.402 276 S HA -0.022 4.449 4.470 0.001 0.000 0.229 276 S C 2.135 176.704 174.600 -0.052 0.000 1.021 276 S CA 0.999 59.142 58.200 -0.095 0.000 0.974 276 S CB -0.662 62.415 63.200 -0.205 0.000 0.800 276 S HN 0.417 nan 8.310 nan 0.000 0.484 277 A N 2.304 125.125 122.820 0.001 0.000 1.883 277 A HA 0.231 4.552 4.320 0.001 0.000 0.217 277 A C 2.558 180.151 177.584 0.015 0.000 1.186 277 A CA 1.883 53.929 52.037 0.016 0.000 0.624 277 A CB -1.511 17.515 19.000 0.042 0.000 0.822 277 A HN 0.870 nan 8.150 nan 0.000 0.444 278 A N -0.650 122.182 122.820 0.020 0.000 1.930 278 A HA 0.045 4.365 4.320 0.001 0.000 0.217 278 A C 2.098 179.700 177.584 0.030 0.000 1.175 278 A CA 1.465 53.521 52.037 0.032 0.000 0.627 278 A CB -0.484 18.538 19.000 0.038 0.000 0.815 278 A HN 0.459 nan 8.150 nan 0.000 0.443 279 L N 0.116 121.344 121.223 0.008 0.000 2.341 279 L HA -0.056 4.285 4.340 0.001 0.000 0.214 279 L C 2.438 179.280 176.870 -0.047 0.000 1.115 279 L CA 0.774 55.614 54.840 -0.000 0.000 0.820 279 L CB -0.246 41.812 42.059 -0.001 0.000 0.944 279 L HN 0.402 nan 8.230 nan 0.000 0.452 280 V N -2.835 117.042 119.914 -0.063 0.000 2.594 280 V HA -0.082 4.038 4.120 0.001 0.000 0.253 280 V C 2.305 178.297 176.094 -0.170 0.000 1.069 280 V CA 1.728 63.971 62.300 -0.095 0.000 1.082 280 V CB -1.660 30.185 31.823 0.036 0.000 0.680 280 V HN 0.361 nan 8.190 nan 0.000 0.469 281 G N 0.265 109.016 108.800 -0.082 0.000 2.442 281 G HA2 -0.185 3.775 3.960 0.001 0.000 0.219 281 G HA3 -0.185 3.775 3.960 0.001 0.000 0.219 281 G C 1.706 176.546 174.900 -0.101 0.000 1.141 281 G CA 1.221 46.275 45.100 -0.077 0.000 0.763 281 G HN 0.902 nan 8.290 nan 0.000 0.554 282 A N 0.436 123.218 122.820 -0.064 0.000 1.969 282 A HA 0.086 4.407 4.320 0.001 0.000 0.218 282 A C 2.444 179.948 177.584 -0.133 0.000 1.169 282 A CA 1.693 53.716 52.037 -0.024 0.000 0.635 282 A CB -0.291 18.746 19.000 0.063 0.000 0.810 282 A HN 0.411 nan 8.150 nan 0.000 0.445 283 M N -0.599 118.779 119.600 -0.370 0.000 2.156 283 M HA -0.063 4.418 4.480 0.001 0.000 0.264 283 M C 2.548 178.443 176.300 -0.675 0.000 1.067 283 M CA 1.364 56.213 55.300 -0.752 0.000 1.131 283 M CB -0.393 31.474 32.600 -1.221 0.000 1.368 283 M HN 0.429 nan 8.290 nan 0.000 0.416 284 A N 0.843 123.194 122.820 -0.783 0.000 1.877 284 A HA -0.138 4.183 4.320 0.001 0.000 0.216 284 A C 2.114 179.617 177.584 -0.136 0.000 1.186 284 A CA 1.543 53.251 52.037 -0.549 0.000 0.620 284 A CB -0.984 17.801 19.000 -0.358 0.000 0.822 284 A HN 0.435 nan 8.150 nan 0.000 0.443 285 I N -0.155 120.351 120.570 -0.107 0.000 2.151 285 I HA -0.267 3.903 4.170 0.001 0.000 0.243 285 I C 2.705 178.846 176.117 0.040 0.000 1.080 285 I CA 1.254 62.539 61.300 -0.024 0.000 1.339 285 I CB -0.657 37.330 38.000 -0.023 0.000 1.039 285 I HN 0.410 nan 8.210 nan 0.000 0.409 286 G N 0.077 108.917 108.800 0.066 0.000 2.459 286 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 286 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 286 G C 1.638 176.643 174.900 0.177 0.000 1.183 286 G CA 1.545 46.739 45.100 0.158 0.000 0.776 286 G HN 0.302 nan 8.290 nan 0.000 0.552 287 T N 1.773 116.455 114.554 0.213 0.000 2.652 287 T HA -0.045 4.305 4.350 0.001 0.000 0.267 287 T C 2.806 177.604 174.700 0.163 0.000 1.039 287 T CA 1.825 64.062 62.100 0.227 0.000 1.153 287 T CB -0.504 68.591 68.868 0.379 0.000 0.863 287 T HN 0.389 nan 8.240 nan 0.000 0.428 288 A N 1.353 124.261 122.820 0.147 0.000 1.933 288 A HA -0.096 4.224 4.320 0.001 0.000 0.218 288 A C 2.302 179.983 177.584 0.161 0.000 1.175 288 A CA 1.687 53.803 52.037 0.131 0.000 0.628 288 A CB -0.582 18.467 19.000 0.081 0.000 0.814 288 A HN 0.407 nan 8.150 nan 0.000 0.444 289 R N -0.458 120.130 120.500 0.146 0.000 2.081 289 R HA -0.093 4.248 4.340 0.001 0.000 0.235 289 R C 2.313 178.732 176.300 0.198 0.000 1.131 289 R CA 1.319 57.536 56.100 0.195 0.000 0.960 289 R CB -0.371 30.016 30.300 0.145 0.000 0.856 289 R HN 0.454 nan 8.270 nan 0.000 0.436 290 A N 0.637 123.531 122.820 0.123 0.000 1.933 290 A HA -0.122 4.198 4.320 0.001 0.000 0.218 290 A C 2.298 179.889 177.584 0.011 0.000 1.175 290 A CA 1.708 53.774 52.037 0.048 0.000 0.628 290 A CB -0.660 18.350 19.000 0.017 0.000 0.814 290 A HN 0.530 nan 8.150 nan 0.000 0.444 291 A N -0.906 121.966 122.820 0.086 0.000 1.855 291 A HA -0.006 4.315 4.320 0.001 0.000 0.215 291 A C 2.047 179.808 177.584 0.295 0.000 1.191 291 A CA 1.585 53.728 52.037 0.177 0.000 0.613 291 A CB -0.846 18.323 19.000 0.281 0.000 0.829 291 A HN 0.766 nan 8.150 nan 0.000 0.442 292 F N 1.111 121.141 119.950 0.134 0.000 2.091 292 F HA -0.217 4.311 4.527 0.002 0.000 0.299 292 F C 2.114 177.977 175.800 0.105 0.000 1.103 292 F CA 2.404 60.472 58.000 0.113 0.000 1.228 292 F CB -0.347 38.694 39.000 0.068 0.000 0.984 292 F HN 0.390 nan 8.300 nan 0.000 0.477 293 E N -0.290 119.837 120.200 -0.121 0.000 2.072 293 E HA -0.218 4.133 4.350 0.001 0.000 0.190 293 E C 2.177 178.681 176.600 -0.159 0.000 0.982 293 E CA 1.096 57.342 56.400 -0.257 0.000 0.803 293 E CB -0.276 29.390 29.700 -0.056 0.000 0.755 293 E HN 0.586 nan 8.360 nan 0.000 0.453 294 E N 0.660 120.817 120.200 -0.071 0.000 2.058 294 E HA -0.220 4.130 4.350 0.001 0.000 0.194 294 E C 1.993 178.680 176.600 0.145 0.000 0.997 294 E CA 1.114 57.501 56.400 -0.022 0.000 0.801 294 E CB -0.044 29.521 29.700 -0.224 0.000 0.746 294 E HN 0.219 nan 8.360 nan 0.000 0.450 295 A N 0.764 123.725 122.820 0.234 0.000 1.902 295 A HA -0.161 4.160 4.320 0.001 0.000 0.217 295 A C 2.124 179.748 177.584 0.067 0.000 1.181 295 A CA 1.294 53.458 52.037 0.212 0.000 0.623 295 A CB -0.637 18.468 19.000 0.176 0.000 0.818 295 A HN 0.382 nan 8.150 nan 0.000 0.443 296 L N -0.142 120.979 121.223 -0.171 0.000 2.017 296 L HA -0.102 4.239 4.340 0.001 0.000 0.208 296 L C 2.382 179.186 176.870 -0.111 0.000 1.073 296 L CA 1.952 56.644 54.840 -0.247 0.000 0.745 296 L CB -0.528 41.157 42.059 -0.623 0.000 0.894 296 L HN 0.140 nan 8.230 nan 0.000 0.432 297 V N -0.533 119.331 119.914 -0.084 0.000 2.343 297 V HA -0.313 3.807 4.120 0.001 0.000 0.247 297 V C 2.326 178.422 176.094 0.003 0.000 1.051 297 V CA 2.170 64.443 62.300 -0.046 0.000 1.036 297 V CB -0.844 30.960 31.823 -0.030 0.000 0.654 297 V HN 0.548 nan 8.190 nan 0.000 0.451 298 F N 1.440 121.357 119.950 -0.055 0.000 2.102 298 F HA -0.168 4.359 4.527 0.000 0.000 0.298 298 F C 2.288 178.060 175.800 -0.047 0.000 1.105 298 F CA 1.557 59.540 58.000 -0.028 0.000 1.239 298 F CB -0.505 38.515 39.000 0.033 0.000 0.991 298 F HN 0.079 nan 8.300 nan 0.000 0.474 299 A N -0.073 122.785 122.820 0.064 0.000 2.019 299 A HA -0.189 4.132 4.320 0.001 0.000 0.219 299 A C 2.064 179.568 177.584 -0.134 0.000 1.164 299 A CA 1.689 53.713 52.037 -0.021 0.000 0.644 299 A CB -0.619 18.415 19.000 0.056 0.000 0.805 299 A HN 0.499 nan 8.150 nan 0.000 0.449 300 K N -0.124 120.165 120.400 -0.186 0.000 2.444 300 K HA 0.049 4.369 4.320 0.001 0.000 0.193 300 K C 0.955 177.152 176.600 -0.672 0.000 1.024 300 K CA 0.835 56.949 56.287 -0.289 0.000 1.077 300 K CB 0.189 32.580 32.500 -0.182 0.000 0.833 300 K HN 0.588 nan 8.250 nan 0.000 0.517 301 S N -1.101 114.234 115.700 -0.610 0.000 2.817 301 S HA 0.129 4.600 4.470 0.001 0.000 0.262 301 S C -0.377 173.970 174.600 -0.421 0.000 1.051 301 S CA -0.677 57.137 58.200 -0.643 0.000 1.185 301 S CB 0.521 63.521 63.200 -0.334 0.000 1.152 301 S HN 0.027 nan 8.310 nan 0.000 0.653 302 D N 1.803 121.937 120.400 -0.444 0.000 2.649 302 D HA 0.353 4.994 4.640 0.001 0.000 0.249 302 D C 0.297 176.506 176.300 -0.150 0.000 1.112 302 D CA -0.071 53.689 54.000 -0.401 0.000 0.850 302 D CB 2.511 42.679 40.800 -1.054 0.000 1.399 302 D HN 0.211 nan 8.370 nan 0.000 0.503 303 T N 0.010 114.548 114.554 -0.028 0.000 3.040 303 T HA 0.071 4.422 4.350 0.001 0.000 0.250 303 T C 0.883 175.605 174.700 0.036 0.000 1.058 303 T CA -0.242 61.871 62.100 0.021 0.000 0.988 303 T CB 0.179 69.049 68.868 0.002 0.000 0.993 303 T HN 0.481 nan 8.240 nan 0.000 0.519 304 R N 1.046 121.552 120.500 0.011 0.000 3.405 304 R HA -0.174 4.167 4.340 0.001 0.000 0.258 304 R C 1.222 177.551 176.300 0.049 0.000 1.030 304 R CA 0.739 56.873 56.100 0.057 0.000 0.691 304 R CB -2.648 27.712 30.300 0.100 0.000 1.093 304 R HN 1.129 nan 8.270 nan 0.000 0.448 305 G N -2.111 106.709 108.800 0.033 0.000 2.143 305 G HA2 -0.276 3.684 3.960 0.001 0.000 0.248 305 G HA3 -0.276 3.684 3.960 0.001 0.000 0.248 305 G C 0.505 175.419 174.900 0.023 0.000 0.991 305 G CA 0.681 45.796 45.100 0.025 0.000 0.689 305 G HN 0.883 nan 8.290 nan 0.000 0.522 306 G N -1.066 107.753 108.800 0.032 0.000 2.938 306 G HA2 0.708 4.668 3.960 0.001 0.000 0.258 306 G HA3 0.708 4.668 3.960 0.001 0.000 0.258 306 G C 1.144 176.047 174.900 0.005 0.000 1.356 306 G CA 0.751 45.872 45.100 0.036 0.000 1.052 306 G HN 1.180 nan 8.290 nan 0.000 0.550 307 S N -1.601 114.098 115.700 -0.001 0.000 2.524 307 S HA 0.188 4.659 4.470 0.001 0.000 0.216 307 S C 0.694 175.232 174.600 -0.102 0.000 0.987 307 S CA 0.402 58.576 58.200 -0.042 0.000 0.909 307 S CB -0.226 62.956 63.200 -0.029 0.000 0.781 307 S HN 0.746 nan 8.310 nan 0.000 0.521 308 K N 0.282 120.616 120.400 -0.111 0.000 2.482 308 K HA 0.408 4.729 4.320 0.001 0.000 0.257 308 K C -1.519 174.959 176.600 -0.203 0.000 0.969 308 K CA -0.879 55.273 56.287 -0.226 0.000 0.842 308 K CB 0.704 33.081 32.500 -0.205 0.000 1.359 308 K HN 0.225 nan 8.250 nan 0.000 0.441 309 H N 1.374 120.364 119.070 -0.134 0.000 2.972 309 H HA -0.004 4.553 4.556 0.001 0.000 0.343 309 H C 1.383 176.591 175.328 -0.200 0.000 1.054 309 H CA 0.234 56.193 56.048 -0.149 0.000 1.412 309 H CB 0.626 30.309 29.762 -0.132 0.000 1.385 309 H HN 0.645 nan 8.280 nan 0.000 0.600 310 I N 0.942 121.513 120.570 0.001 0.000 2.567 310 I HA -0.147 4.024 4.170 0.001 0.000 0.257 310 I C 2.003 178.111 176.117 -0.016 0.000 1.184 310 I CA 1.188 62.508 61.300 0.032 0.000 1.451 310 I CB -0.255 37.862 38.000 0.194 0.000 1.089 310 I HN 0.618 nan 8.210 nan 0.000 0.441 311 I N 1.502 122.064 120.570 -0.014 0.000 2.657 311 I HA -0.273 3.898 4.170 0.001 0.000 0.261 311 I C 2.178 178.269 176.117 -0.044 0.000 1.212 311 I CA 1.447 62.746 61.300 -0.002 0.000 1.453 311 I CB 0.017 38.019 38.000 0.003 0.000 1.092 311 I HN 0.298 nan 8.210 nan 0.000 0.452 312 E N -0.195 119.912 120.200 -0.156 0.000 2.358 312 E HA -0.073 4.278 4.350 0.001 0.000 0.195 312 E C 0.211 176.691 176.600 -0.200 0.000 1.010 312 E CA 0.266 56.550 56.400 -0.192 0.000 0.856 312 E CB 0.081 29.623 29.700 -0.262 0.000 0.795 312 E HN 0.468 nan 8.360 nan 0.000 0.504 313 H N 0.982 120.065 119.070 0.022 0.000 2.819 313 H HA 0.064 4.621 4.556 0.001 0.000 0.303 313 H C 0.902 176.243 175.328 0.022 0.000 1.058 313 H CA 0.145 56.204 56.048 0.018 0.000 1.471 313 H CB 0.962 30.735 29.762 0.019 0.000 1.480 313 H HN 0.237 nan 8.280 nan 0.000 0.517 314 Q N 2.073 121.951 119.800 0.130 0.000 2.096 314 Q HA -0.166 4.175 4.340 0.001 0.000 0.208 314 Q C 1.896 177.941 176.000 0.076 0.000 0.993 314 Q CA 1.942 57.792 55.803 0.079 0.000 0.862 314 Q CB 0.077 28.850 28.738 0.058 0.000 0.915 314 Q HN 0.535 nan 8.270 nan 0.000 0.416 315 S N -0.098 115.650 115.700 0.079 0.000 2.382 315 S HA -0.112 4.358 4.470 0.001 0.000 0.228 315 S C 2.075 176.715 174.600 0.068 0.000 1.027 315 S CA 1.074 59.309 58.200 0.057 0.000 0.991 315 S CB -0.102 63.119 63.200 0.035 0.000 0.823 315 S HN 0.164 nan 8.310 nan 0.000 0.469 316 V N 1.905 121.879 119.914 0.100 0.000 2.270 316 V HA -0.163 3.958 4.120 0.001 0.000 0.245 316 V C 2.665 178.814 176.094 0.092 0.000 1.043 316 V CA 1.653 64.014 62.300 0.103 0.000 1.014 316 V CB -1.276 30.633 31.823 0.144 0.000 0.645 316 V HN 0.525 nan 8.190 nan 0.000 0.447 317 A N 0.029 122.901 122.820 0.087 0.000 1.917 317 A HA -0.316 4.004 4.320 0.001 0.000 0.219 317 A C 1.978 179.608 177.584 0.076 0.000 1.182 317 A CA 2.288 54.372 52.037 0.078 0.000 0.633 317 A CB -0.771 18.266 19.000 0.060 0.000 0.819 317 A HN 0.558 nan 8.150 nan 0.000 0.448 318 D N -0.194 120.244 120.400 0.063 0.000 2.123 318 D HA -0.137 4.504 4.640 0.001 0.000 0.196 318 D C 1.931 178.264 176.300 0.056 0.000 0.992 318 D CA 1.227 55.257 54.000 0.051 0.000 0.833 318 D CB -0.165 40.659 40.800 0.040 0.000 0.954 318 D HN 0.268 nan 8.370 nan 0.000 0.455 319 K N 0.534 120.972 120.400 0.063 0.000 2.026 319 K HA -0.058 4.263 4.320 0.001 0.000 0.208 319 K C 2.427 179.093 176.600 0.110 0.000 1.048 319 K CA 0.436 56.764 56.287 0.069 0.000 0.929 319 K CB -0.774 31.763 32.500 0.061 0.000 0.713 319 K HN 0.275 nan 8.250 nan 0.000 0.439 320 L N 0.499 121.812 121.223 0.150 0.000 2.083 320 L HA -0.143 4.198 4.340 0.001 0.000 0.209 320 L C 2.470 179.464 176.870 0.206 0.000 1.083 320 L CA 0.924 55.923 54.840 0.266 0.000 0.752 320 L CB -0.473 41.745 42.059 0.265 0.000 0.899 320 L HN 0.079 nan 8.230 nan 0.000 0.433 321 I N -0.119 120.519 120.570 0.113 0.000 2.226 321 I HA -0.286 3.885 4.170 0.001 0.000 0.245 321 I C 2.114 178.231 176.117 -0.001 0.000 1.100 321 I CA 1.229 62.559 61.300 0.049 0.000 1.374 321 I CB -0.329 37.695 38.000 0.039 0.000 1.057 321 I HN 0.245 nan 8.210 nan 0.000 0.413 322 D N 0.371 120.780 120.400 0.016 0.000 2.117 322 D HA -0.152 4.489 4.640 0.001 0.000 0.197 322 D C 2.300 178.577 176.300 -0.039 0.000 0.987 322 D CA 1.214 55.211 54.000 -0.004 0.000 0.829 322 D CB -0.461 40.346 40.800 0.013 0.000 0.961 322 D HN 0.362 nan 8.370 nan 0.000 0.460 323 C N 0.733 120.019 119.300 -0.024 0.000 2.413 323 C HA -0.131 4.329 4.460 0.001 0.000 0.277 323 C C 2.550 177.345 174.990 -0.325 0.000 1.228 323 C CA 0.578 59.546 59.018 -0.083 0.000 1.731 323 C CB -0.628 27.176 27.740 0.107 0.000 2.042 323 C HN 0.246 nan 8.230 nan 0.000 0.468 324 K N 1.405 121.518 120.400 -0.478 0.000 2.009 324 K HA -0.092 4.229 4.320 0.001 0.000 0.210 324 K C 1.623 178.034 176.600 -0.315 0.000 1.049 324 K CA 1.708 57.621 56.287 -0.624 0.000 0.929 324 K CB -0.834 31.416 32.500 -0.416 0.000 0.714 324 K HN 0.525 nan 8.250 nan 0.000 0.440 325 I N 0.383 120.846 120.570 -0.178 0.000 2.163 325 I HA -0.349 3.821 4.170 0.001 0.000 0.243 325 I C 2.423 178.501 176.117 -0.065 0.000 1.085 325 I CA 1.566 62.806 61.300 -0.099 0.000 1.347 325 I CB -0.248 37.722 38.000 -0.049 0.000 1.044 325 I HN 0.203 nan 8.210 nan 0.000 0.408 326 R N 0.455 120.915 120.500 -0.067 0.000 2.091 326 R HA -0.160 4.180 4.340 0.001 0.000 0.238 326 R C 2.315 178.580 176.300 -0.059 0.000 1.136 326 R CA 1.333 57.409 56.100 -0.040 0.000 0.959 326 R CB -0.424 29.822 30.300 -0.090 0.000 0.856 326 R HN 0.339 nan 8.270 nan 0.000 0.437 327 L N 0.130 121.269 121.223 -0.141 0.000 2.093 327 L HA -0.164 4.177 4.340 0.001 0.000 0.208 327 L C 2.499 179.282 176.870 -0.145 0.000 1.085 327 L CA 1.132 55.883 54.840 -0.148 0.000 0.755 327 L CB -0.268 41.655 42.059 -0.227 0.000 0.904 327 L HN 0.134 nan 8.230 nan 0.000 0.435 328 E N 0.079 120.181 120.200 -0.164 0.000 2.028 328 E HA -0.182 4.169 4.350 0.001 0.000 0.191 328 E C 2.176 178.686 176.600 -0.151 0.000 0.988 328 E CA 2.009 58.301 56.400 -0.179 0.000 0.799 328 E CB -0.189 29.407 29.700 -0.174 0.000 0.755 328 E HN 0.490 nan 8.360 nan 0.000 0.447 329 T N -1.985 112.527 114.554 -0.070 0.000 2.788 329 T HA -0.095 4.256 4.350 0.001 0.000 0.268 329 T C 2.187 176.901 174.700 0.024 0.000 1.044 329 T CA 1.423 63.501 62.100 -0.037 0.000 1.139 329 T CB -0.557 68.321 68.868 0.017 0.000 0.867 329 T HN -0.010 nan 8.240 nan 0.000 0.454 330 S N 1.232 117.008 115.700 0.128 0.000 2.359 330 S HA -0.080 4.390 4.470 0.001 0.000 0.224 330 S C 2.152 176.734 174.600 -0.030 0.000 1.035 330 S CA 1.333 59.613 58.200 0.133 0.000 1.018 330 S CB -0.410 62.826 63.200 0.060 0.000 0.876 330 S HN 0.559 nan 8.310 nan 0.000 0.448 331 R N 0.439 120.840 120.500 -0.165 0.000 2.073 331 R HA -0.071 4.270 4.340 0.001 0.000 0.234 331 R C 2.010 178.015 176.300 -0.492 0.000 1.134 331 R CA 1.112 56.985 56.100 -0.378 0.000 0.952 331 R CB -0.401 29.575 30.300 -0.541 0.000 0.850 331 R HN 0.231 nan 8.270 nan 0.000 0.433 332 L N 0.877 121.888 121.223 -0.353 0.000 2.013 332 L HA -0.218 4.122 4.340 0.001 0.000 0.212 332 L C 2.313 179.173 176.870 -0.017 0.000 1.073 332 L CA 1.430 56.163 54.840 -0.178 0.000 0.753 332 L CB -1.063 40.915 42.059 -0.136 0.000 0.890 332 L HN 0.275 nan 8.230 nan 0.000 0.432 333 L N -1.217 119.990 121.223 -0.027 0.000 2.046 333 L HA -0.149 4.191 4.340 0.001 0.000 0.208 333 L C 2.467 179.388 176.870 0.084 0.000 1.077 333 L CA 1.377 56.230 54.840 0.022 0.000 0.747 333 L CB -0.523 41.537 42.059 0.001 0.000 0.896 333 L HN 0.031 nan 8.230 nan 0.000 0.432 334 V N -1.391 118.582 119.914 0.097 0.000 2.287 334 V HA -0.308 3.812 4.120 0.001 0.000 0.248 334 V C 2.254 178.544 176.094 0.327 0.000 1.053 334 V CA 2.050 64.459 62.300 0.181 0.000 1.027 334 V CB -0.926 31.011 31.823 0.190 0.000 0.646 334 V HN 0.543 nan 8.190 nan 0.000 0.447 335 W N 0.502 121.830 121.300 0.046 0.000 2.388 335 W HA -0.074 4.587 4.660 0.001 0.000 0.294 335 W C 2.518 179.057 176.519 0.034 0.000 1.212 335 W CA 1.285 58.660 57.345 0.049 0.000 1.271 335 W CB -0.903 28.606 29.460 0.082 0.000 1.126 335 W HN 0.205 nan 8.180 nan 0.000 0.535 336 K N 0.825 121.384 120.400 0.265 0.000 2.097 336 K HA -0.069 4.251 4.320 0.001 0.000 0.205 336 K C 2.069 178.723 176.600 0.090 0.000 1.050 336 K CA 1.953 58.323 56.287 0.139 0.000 0.938 336 K CB -0.697 31.863 32.500 0.100 0.000 0.718 336 K HN -0.077 nan 8.250 nan 0.000 0.442 337 A N 0.457 123.335 122.820 0.097 0.000 1.855 337 A HA -0.091 4.230 4.320 0.001 0.000 0.215 337 A C 2.317 179.931 177.584 0.051 0.000 1.191 337 A CA 2.003 54.074 52.037 0.057 0.000 0.613 337 A CB -1.100 17.934 19.000 0.056 0.000 0.829 337 A HN 0.265 nan 8.150 nan 0.000 0.442 338 V N -2.830 117.130 119.914 0.077 0.000 2.427 338 V HA -0.159 3.962 4.120 0.001 0.000 0.248 338 V C 2.173 178.287 176.094 0.033 0.000 1.051 338 V CA 2.704 65.035 62.300 0.053 0.000 1.048 338 V CB -1.792 30.062 31.823 0.051 0.000 0.666 338 V HN 0.394 nan 8.190 nan 0.000 0.456 339 T N 0.826 115.400 114.554 0.034 0.000 2.746 339 T HA -0.151 4.200 4.350 0.001 0.000 0.267 339 T C 1.954 176.661 174.700 0.013 0.000 1.039 339 T CA 2.414 64.522 62.100 0.013 0.000 1.142 339 T CB -0.599 68.276 68.868 0.011 0.000 0.866 339 T HN 0.704 nan 8.240 nan 0.000 0.444 340 T N 2.493 117.056 114.554 0.016 0.000 2.684 340 T HA 0.003 4.354 4.350 0.001 0.000 0.267 340 T C 1.971 176.679 174.700 0.012 0.000 1.036 340 T CA 0.907 63.009 62.100 0.004 0.000 1.148 340 T CB -0.514 68.347 68.868 -0.011 0.000 0.863 340 T HN 0.246 nan 8.240 nan 0.000 0.436 341 L N 0.629 121.864 121.223 0.021 0.000 2.127 341 L HA -0.132 4.209 4.340 0.001 0.000 0.211 341 L C 2.498 179.413 176.870 0.074 0.000 1.089 341 L CA 1.437 56.311 54.840 0.057 0.000 0.757 341 L CB -0.483 41.616 42.059 0.066 0.000 0.899 341 L HN 0.357 nan 8.230 nan 0.000 0.434 342 E N -1.028 119.199 120.200 0.044 0.000 2.502 342 E HA -0.097 4.254 4.350 0.001 0.000 0.194 342 E C 0.221 176.841 176.600 0.032 0.000 1.062 342 E CA -0.114 56.307 56.400 0.035 0.000 0.867 342 E CB 0.113 29.823 29.700 0.016 0.000 0.888 342 E HN 0.227 nan 8.360 nan 0.000 0.510 343 D N 1.136 121.556 120.400 0.034 0.000 2.393 343 D HA 0.009 4.650 4.640 0.001 0.000 0.232 343 D C 0.376 176.701 176.300 0.041 0.000 1.192 343 D CA 0.079 54.095 54.000 0.027 0.000 0.882 343 D CB 0.732 41.542 40.800 0.017 0.000 1.038 343 D HN -0.003 nan 8.370 nan 0.000 0.499 344 E N 2.176 122.398 120.200 0.036 0.000 2.209 344 E HA -0.180 4.170 4.350 0.001 0.000 0.196 344 E C 1.574 178.199 176.600 0.041 0.000 0.993 344 E CA 1.031 57.456 56.400 0.041 0.000 0.819 344 E CB 0.138 29.854 29.700 0.027 0.000 0.745 344 E HN 0.551 nan 8.360 nan 0.000 0.477 345 A N 0.458 123.298 122.820 0.032 0.000 2.235 345 A HA 0.055 4.375 4.320 0.001 0.000 0.208 345 A C 0.701 178.306 177.584 0.036 0.000 1.172 345 A CA 0.296 52.352 52.037 0.030 0.000 0.786 345 A CB -0.109 18.904 19.000 0.022 0.000 0.804 345 A HN 0.059 nan 8.150 nan 0.000 0.479 346 L N 0.646 121.896 121.223 0.044 0.000 2.322 346 L HA 0.289 4.629 4.340 0.001 0.000 0.279 346 L C -0.020 176.892 176.870 0.070 0.000 1.036 346 L CA -0.801 54.065 54.840 0.042 0.000 0.807 346 L CB 1.338 43.411 42.059 0.024 0.000 1.226 346 L HN 0.262 nan 8.230 nan 0.000 0.433 347 E N 1.805 122.042 120.200 0.062 0.000 2.437 347 E HA -0.159 4.192 4.350 0.001 0.000 0.263 347 E C 0.328 177.004 176.600 0.127 0.000 1.030 347 E CA 0.135 56.592 56.400 0.096 0.000 0.934 347 E CB 0.986 30.726 29.700 0.067 0.000 0.943 347 E HN 0.710 nan 8.360 nan 0.000 0.444 348 W N 4.538 125.846 121.300 0.013 0.000 2.338 348 W HA -0.272 4.388 4.660 0.001 0.000 0.304 348 W C 1.683 178.213 176.519 0.019 0.000 1.212 348 W CA 1.835 59.188 57.345 0.014 0.000 1.264 348 W CB 0.040 29.507 29.460 0.011 0.000 1.142 348 W HN 0.595 nan 8.180 nan 0.000 0.512 349 K N 0.024 120.353 120.400 -0.118 0.000 2.209 349 K HA -0.165 4.156 4.320 0.001 0.000 0.204 349 K C 1.674 178.134 176.600 -0.232 0.000 1.048 349 K CA 1.781 57.937 56.287 -0.218 0.000 0.940 349 K CB -1.001 31.486 32.500 -0.021 0.000 0.729 349 K HN 0.095 nan 8.250 nan 0.000 0.451 350 V N 2.193 122.013 119.914 -0.156 0.000 2.307 350 V HA -0.212 3.909 4.120 0.001 0.000 0.245 350 V C 2.250 178.224 176.094 -0.200 0.000 1.045 350 V CA 1.917 64.143 62.300 -0.124 0.000 1.024 350 V CB -0.444 31.339 31.823 -0.067 0.000 0.651 350 V HN 0.380 nan 8.190 nan 0.000 0.449 351 K N -0.254 119.968 120.400 -0.296 0.000 2.097 351 K HA -0.171 4.150 4.320 0.001 0.000 0.206 351 K C 2.101 178.376 176.600 -0.542 0.000 1.049 351 K CA 1.339 57.403 56.287 -0.371 0.000 0.933 351 K CB -0.371 31.900 32.500 -0.382 0.000 0.717 351 K HN 0.276 nan 8.250 nan 0.000 0.442 352 L N 1.919 122.650 121.223 -0.821 0.000 2.027 352 L HA -0.137 4.203 4.340 0.001 0.000 0.206 352 L C 2.389 179.077 176.870 -0.304 0.000 1.074 352 L CA 1.777 56.213 54.840 -0.673 0.000 0.745 352 L CB -0.413 41.197 42.059 -0.747 0.000 0.898 352 L HN 0.165 nan 8.230 nan 0.000 0.433 353 E N -0.695 119.366 120.200 -0.232 0.000 2.085 353 E HA -0.310 4.040 4.350 0.001 0.000 0.194 353 E C 2.166 178.712 176.600 -0.091 0.000 0.994 353 E CA 1.955 58.283 56.400 -0.120 0.000 0.801 353 E CB -0.159 29.515 29.700 -0.043 0.000 0.743 353 E HN 0.470 nan 8.360 nan 0.000 0.453 354 M N 0.739 120.277 119.600 -0.103 0.000 2.117 354 M HA -0.088 4.392 4.480 0.001 0.000 0.262 354 M C 2.023 178.294 176.300 -0.048 0.000 1.065 354 M CA 1.943 57.206 55.300 -0.061 0.000 1.114 354 M CB -0.467 32.097 32.600 -0.059 0.000 1.361 354 M HN 0.113 nan 8.290 nan 0.000 0.408 355 A N -0.188 122.582 122.820 -0.083 0.000 1.930 355 A HA -0.113 4.208 4.320 0.001 0.000 0.217 355 A C 2.044 179.617 177.584 -0.018 0.000 1.175 355 A CA 1.742 53.752 52.037 -0.045 0.000 0.627 355 A CB -0.563 18.399 19.000 -0.064 0.000 0.815 355 A HN 0.539 nan 8.150 nan 0.000 0.443 356 M N -0.499 119.079 119.600 -0.035 0.000 2.077 356 M HA -0.156 4.324 4.480 0.001 0.000 0.261 356 M C 2.245 178.551 176.300 0.011 0.000 1.070 356 M CA 1.457 56.749 55.300 -0.014 0.000 1.125 356 M CB -1.761 30.818 32.600 -0.035 0.000 1.339 356 M HN 0.509 nan 8.290 nan 0.000 0.409 357 Q N -0.370 119.433 119.800 0.005 0.000 2.103 357 Q HA -0.223 4.117 4.340 0.001 0.000 0.213 357 Q C 1.981 178.024 176.000 0.073 0.000 1.008 357 Q CA 2.664 58.485 55.803 0.031 0.000 0.879 357 Q CB -0.538 28.206 28.738 0.011 0.000 0.946 357 Q HN 0.554 nan 8.270 nan 0.000 0.413 358 T N 0.828 115.417 114.554 0.058 0.000 2.737 358 T HA -0.123 4.228 4.350 0.001 0.000 0.265 358 T C 1.727 176.485 174.700 0.096 0.000 1.038 358 T CA 0.967 63.119 62.100 0.086 0.000 1.144 358 T CB -0.094 68.810 68.868 0.061 0.000 0.866 358 T HN 0.135 nan 8.240 nan 0.000 0.434 359 K N 1.063 121.502 120.400 0.065 0.000 2.032 359 K HA -0.030 4.291 4.320 0.001 0.000 0.209 359 K C 2.261 178.905 176.600 0.074 0.000 1.048 359 K CA 1.293 57.617 56.287 0.062 0.000 0.927 359 K CB -0.577 31.953 32.500 0.049 0.000 0.712 359 K HN 0.366 nan 8.250 nan 0.000 0.441 360 I N -0.162 120.454 120.570 0.077 0.000 2.179 360 I HA -0.307 3.864 4.170 0.001 0.000 0.242 360 I C 2.468 178.640 176.117 0.091 0.000 1.088 360 I CA 1.384 62.729 61.300 0.075 0.000 1.357 360 I CB -0.433 37.609 38.000 0.070 0.000 1.051 360 I HN 0.154 nan 8.210 nan 0.000 0.409 361 Y N 1.843 122.150 120.300 0.011 0.000 2.109 361 Y HA -0.307 4.244 4.550 0.001 0.000 0.285 361 Y C 2.982 178.885 175.900 0.006 0.000 1.131 361 Y CA 2.306 60.411 58.100 0.007 0.000 1.121 361 Y CB -0.737 37.725 38.460 0.004 0.000 0.987 361 Y HN 0.289 nan 8.280 nan 0.000 0.495 362 T N -2.791 111.781 114.554 0.030 0.000 2.759 362 T HA -0.215 4.136 4.350 0.001 0.000 0.269 362 T C 1.809 176.445 174.700 -0.106 0.000 1.042 362 T CA 2.094 64.153 62.100 -0.068 0.000 1.140 362 T CB -1.330 67.551 68.868 0.022 0.000 0.864 362 T HN 0.576 nan 8.240 nan 0.000 0.455 363 T N -0.272 114.260 114.554 -0.037 0.000 2.851 363 T HA -0.039 4.311 4.350 0.001 0.000 0.262 363 T C 1.714 176.409 174.700 -0.008 0.000 1.043 363 T CA 1.011 63.127 62.100 0.026 0.000 1.140 363 T CB -0.557 68.374 68.868 0.104 0.000 0.872 363 T HN 0.195 nan 8.240 nan 0.000 0.446 364 D N 0.965 121.331 120.400 -0.057 0.000 2.123 364 D HA -0.035 4.606 4.640 0.001 0.000 0.196 364 D C 2.176 178.399 176.300 -0.128 0.000 0.992 364 D CA 0.715 54.669 54.000 -0.076 0.000 0.833 364 D CB -0.424 40.333 40.800 -0.071 0.000 0.954 364 D HN 0.278 nan 8.370 nan 0.000 0.455 365 V N 0.561 120.326 119.914 -0.248 0.000 2.788 365 V HA -0.030 4.090 4.120 0.001 0.000 0.251 365 V C 2.238 178.237 176.094 -0.159 0.000 1.068 365 V CA 1.226 63.350 62.300 -0.294 0.000 1.090 365 V CB -0.092 31.320 31.823 -0.685 0.000 0.710 365 V HN 0.147 nan 8.190 nan 0.000 0.467 366 A N -0.283 122.475 122.820 -0.103 0.000 1.933 366 A HA -0.136 4.185 4.320 0.001 0.000 0.218 366 A C 2.305 179.904 177.584 0.025 0.000 1.175 366 A CA 1.969 54.000 52.037 -0.010 0.000 0.628 366 A CB -0.476 18.558 19.000 0.056 0.000 0.814 366 A HN 0.354 nan 8.150 nan 0.000 0.444 367 V N 0.216 120.136 119.914 0.009 0.000 2.307 367 V HA -0.277 3.844 4.120 0.001 0.000 0.245 367 V C 2.360 178.454 176.094 0.001 0.000 1.045 367 V CA 2.245 64.548 62.300 0.006 0.000 1.024 367 V CB -0.992 30.823 31.823 -0.012 0.000 0.651 367 V HN 0.648 nan 8.190 nan 0.000 0.449 368 E N -0.699 119.490 120.200 -0.020 0.000 2.097 368 E HA -0.302 4.049 4.350 0.001 0.000 0.196 368 E C 2.282 178.883 176.600 0.002 0.000 1.000 368 E CA 1.770 58.160 56.400 -0.017 0.000 0.804 368 E CB -0.453 29.224 29.700 -0.038 0.000 0.740 368 E HN 0.681 nan 8.360 nan 0.000 0.454 369 C N 0.477 119.779 119.300 0.004 0.000 2.446 369 C HA -0.075 4.385 4.460 0.001 0.000 0.277 369 C C 2.686 177.730 174.990 0.089 0.000 1.275 369 C CA 0.519 59.559 59.018 0.036 0.000 1.727 369 C CB -0.709 27.040 27.740 0.015 0.000 2.010 369 C HN 0.203 nan 8.230 nan 0.000 0.486 370 V N 1.144 121.113 119.914 0.092 0.000 2.358 370 V HA -0.168 3.953 4.120 0.001 0.000 0.246 370 V C 2.320 178.468 176.094 0.091 0.000 1.047 370 V CA 2.371 64.752 62.300 0.135 0.000 1.035 370 V CB -0.589 31.308 31.823 0.124 0.000 0.658 370 V HN 0.558 nan 8.190 nan 0.000 0.452 371 I N 0.085 120.683 120.570 0.045 0.000 2.226 371 I HA -0.216 3.954 4.170 0.001 0.000 0.245 371 I C 2.263 178.373 176.117 -0.011 0.000 1.100 371 I CA 1.484 62.791 61.300 0.011 0.000 1.374 371 I CB -0.447 37.556 38.000 0.004 0.000 1.057 371 I HN 0.301 nan 8.210 nan 0.000 0.413 372 D N 1.057 121.463 120.400 0.010 0.000 2.117 372 D HA -0.154 4.487 4.640 0.001 0.000 0.197 372 D C 2.264 178.565 176.300 0.002 0.000 0.987 372 D CA 1.556 55.562 54.000 0.011 0.000 0.829 372 D CB -0.168 40.651 40.800 0.032 0.000 0.961 372 D HN 0.335 nan 8.370 nan 0.000 0.460 373 A N 0.452 123.290 122.820 0.031 0.000 1.902 373 A HA -0.177 4.143 4.320 0.001 0.000 0.217 373 A C 2.265 179.687 177.584 -0.270 0.000 1.181 373 A CA 1.397 53.440 52.037 0.011 0.000 0.623 373 A CB -0.528 18.594 19.000 0.204 0.000 0.818 373 A HN 0.171 nan 8.150 nan 0.000 0.443 374 M N -0.817 118.570 119.600 -0.355 0.000 2.117 374 M HA -0.174 4.306 4.480 0.001 0.000 0.262 374 M C 2.149 178.269 176.300 -0.301 0.000 1.065 374 M CA 1.826 56.813 55.300 -0.521 0.000 1.114 374 M CB -0.389 32.038 32.600 -0.288 0.000 1.361 374 M HN 0.321 nan 8.290 nan 0.000 0.408 375 K N 0.348 120.652 120.400 -0.161 0.000 2.097 375 K HA -0.092 4.228 4.320 0.001 0.000 0.206 375 K C 2.105 178.658 176.600 -0.078 0.000 1.049 375 K CA 1.425 57.652 56.287 -0.100 0.000 0.933 375 K CB -0.265 32.200 32.500 -0.058 0.000 0.717 375 K HN 0.299 nan 8.250 nan 0.000 0.442 376 A N 0.882 123.663 122.820 -0.065 0.000 1.898 376 A HA -0.113 4.207 4.320 0.001 0.000 0.216 376 A C 2.334 179.921 177.584 0.005 0.000 1.181 376 A CA 1.363 53.397 52.037 -0.005 0.000 0.620 376 A CB -0.560 18.460 19.000 0.034 0.000 0.819 376 A HN 0.073 nan 8.150 nan 0.000 0.442 377 V N -1.007 118.831 119.914 -0.128 0.000 2.427 377 V HA 0.220 4.340 4.120 0.001 0.000 0.248 377 V C 1.735 177.747 176.094 -0.137 0.000 1.051 377 V CA 1.235 63.415 62.300 -0.199 0.000 1.048 377 V CB -1.642 29.817 31.823 -0.608 0.000 0.666 377 V HN 1.232 nan 8.190 nan 0.000 0.456 378 G N -0.871 107.838 108.800 -0.150 0.000 2.508 378 G HA2 -0.339 3.622 3.960 0.001 0.000 0.220 378 G HA3 -0.339 3.622 3.960 0.001 0.000 0.220 378 G C 0.327 175.158 174.900 -0.115 0.000 1.287 378 G CA 0.231 45.274 45.100 -0.094 0.000 0.916 378 G HN 0.139 nan 8.290 nan 0.000 0.574 379 M N 0.439 119.999 119.600 -0.067 0.000 2.144 379 M HA -0.003 4.478 4.480 0.001 0.000 0.260 379 M C 2.402 178.693 176.300 -0.015 0.000 1.067 379 M CA 2.947 58.220 55.300 -0.045 0.000 1.095 379 M CB -0.536 32.050 32.600 -0.024 0.000 1.365 379 M HN 0.574 nan 8.290 nan 0.000 0.406 380 K N -0.618 119.749 120.400 -0.054 0.000 2.218 380 K HA -0.155 4.165 4.320 0.001 0.000 0.205 380 K C 1.838 178.401 176.600 -0.061 0.000 1.046 380 K CA 1.647 57.894 56.287 -0.067 0.000 0.933 380 K CB -0.419 31.991 32.500 -0.150 0.000 0.728 380 K HN 0.608 nan 8.250 nan 0.000 0.454 381 S N -0.534 115.088 115.700 -0.129 0.000 2.555 381 S HA -0.134 4.337 4.470 0.001 0.000 0.230 381 S C 1.562 176.222 174.600 0.100 0.000 0.978 381 S CA 0.431 58.565 58.200 -0.110 0.000 0.934 381 S CB -0.201 62.649 63.200 -0.583 0.000 0.766 381 S HN 0.359 nan 8.310 nan 0.000 0.533 382 Y N 2.169 122.440 120.300 -0.048 0.000 2.462 382 Y HA 0.599 5.149 4.550 0.000 0.000 0.261 382 Y C 0.920 176.820 175.900 0.001 0.000 1.146 382 Y CA -0.620 57.468 58.100 -0.019 0.000 1.283 382 Y CB -0.189 38.248 38.460 -0.037 0.000 1.090 382 Y HN 0.435 nan 8.280 nan 0.000 0.526 383 A N 0.201 123.043 122.820 0.036 0.000 2.306 383 A HA 0.372 4.692 4.320 0.001 0.000 0.330 383 A C 0.741 178.308 177.584 -0.029 0.000 1.146 383 A CA -0.674 51.352 52.037 -0.018 0.000 0.827 383 A CB 0.850 19.863 19.000 0.021 0.000 1.178 383 A HN 0.361 nan 8.150 nan 0.000 0.490 384 K N 0.495 120.865 120.400 -0.049 0.000 2.487 384 K HA -0.028 4.292 4.320 0.001 0.000 0.192 384 K C 0.164 176.742 176.600 -0.038 0.000 1.027 384 K CA 0.751 57.008 56.287 -0.050 0.000 1.054 384 K CB 0.196 32.660 32.500 -0.059 0.000 0.824 384 K HN 0.797 nan 8.250 nan 0.000 0.510 385 D N 0.161 120.547 120.400 -0.023 0.000 2.349 385 D HA -0.064 4.577 4.640 0.001 0.000 0.224 385 D C 0.503 176.790 176.300 -0.023 0.000 1.029 385 D CA 0.365 54.353 54.000 -0.021 0.000 0.879 385 D CB 0.189 40.984 40.800 -0.007 0.000 0.906 385 D HN 0.104 nan 8.370 nan 0.000 0.528 386 M N -0.481 119.108 119.600 -0.018 0.000 2.724 386 M HA 0.267 4.748 4.480 0.001 0.000 0.310 386 M C 0.769 177.001 176.300 -0.113 0.000 1.217 386 M CA -0.815 54.459 55.300 -0.042 0.000 0.894 386 M CB 2.241 34.900 32.600 0.098 0.000 1.719 386 M HN -0.327 nan 8.290 nan 0.000 0.479 387 S N 0.179 115.700 115.700 -0.298 0.000 2.489 387 S HA 0.001 4.471 4.470 0.001 0.000 0.228 387 S C 1.373 175.817 174.600 -0.260 0.000 0.995 387 S CA 0.950 58.968 58.200 -0.304 0.000 0.934 387 S CB -0.286 62.685 63.200 -0.381 0.000 0.771 387 S HN 0.504 nan 8.310 nan 0.000 0.522 388 F N 1.959 121.876 119.950 -0.055 0.000 2.095 388 F HA -0.040 4.487 4.527 0.001 0.000 0.298 388 F C -0.472 175.294 175.800 -0.057 0.000 1.104 388 F CA 0.816 58.789 58.000 -0.046 0.000 1.232 388 F CB -2.221 36.754 39.000 -0.042 0.000 0.987 388 F HN 0.189 nan 8.300 nan 0.000 0.475 389 P HA -0.207 nan 4.420 nan 0.000 0.215 389 P C 1.556 178.829 177.300 -0.045 0.000 1.153 389 P CA 1.808 64.892 63.100 -0.025 0.000 0.853 389 P CB -0.157 31.482 31.700 -0.101 0.000 0.788 390 R N 0.114 120.580 120.500 -0.057 0.000 2.073 390 R HA -0.095 4.245 4.340 0.001 0.000 0.234 390 R C 2.190 178.435 176.300 -0.092 0.000 1.134 390 R CA 1.422 57.476 56.100 -0.078 0.000 0.952 390 R CB -1.030 29.228 30.300 -0.071 0.000 0.850 390 R HN 0.130 nan 8.270 nan 0.000 0.433 391 L N 0.942 122.127 121.223 -0.064 0.000 2.042 391 L HA -0.217 4.123 4.340 0.001 0.000 0.210 391 L C 2.631 179.483 176.870 -0.029 0.000 1.076 391 L CA 0.930 55.748 54.840 -0.038 0.000 0.749 391 L CB -0.675 41.381 42.059 -0.005 0.000 0.893 391 L HN 0.291 nan 8.230 nan 0.000 0.432 392 L N 0.220 121.447 121.223 0.006 0.000 2.012 392 L HA -0.237 4.103 4.340 0.001 0.000 0.210 392 L C 2.325 179.155 176.870 -0.068 0.000 1.073 392 L CA 1.898 56.737 54.840 -0.002 0.000 0.748 392 L CB -0.767 41.310 42.059 0.029 0.000 0.891 392 L HN 0.266 nan 8.230 nan 0.000 0.431 393 N N -0.334 118.310 118.700 -0.092 0.000 2.142 393 N HA -0.182 4.558 4.740 0.001 0.000 0.186 393 N C 1.752 177.130 175.510 -0.219 0.000 1.023 393 N CA 1.658 54.632 53.050 -0.128 0.000 0.852 393 N CB -0.131 38.290 38.487 -0.111 0.000 0.998 393 N HN 0.562 nan 8.380 nan 0.000 0.424 394 E N 0.594 120.615 120.200 -0.298 0.000 2.077 394 E HA -0.106 4.245 4.350 0.001 0.000 0.193 394 E C 1.945 178.221 176.600 -0.540 0.000 0.989 394 E CA 0.616 56.693 56.400 -0.538 0.000 0.800 394 E CB -0.007 29.381 29.700 -0.521 0.000 0.746 394 E HN 0.015 nan 8.360 nan 0.000 0.452 395 V N 0.841 120.552 119.914 -0.338 0.000 2.515 395 V HA -0.191 3.929 4.120 0.001 0.000 0.250 395 V C 1.912 177.786 176.094 -0.366 0.000 1.058 395 V CA 1.170 63.287 62.300 -0.306 0.000 1.064 395 V CB -0.113 31.703 31.823 -0.011 0.000 0.675 395 V HN 0.333 nan 8.190 nan 0.000 0.461 396 M N -1.378 118.057 119.600 -0.274 0.000 2.549 396 M HA -0.117 4.364 4.480 0.001 0.000 0.260 396 M C 2.242 178.379 176.300 -0.272 0.000 1.076 396 M CA 1.283 56.459 55.300 -0.207 0.000 1.090 396 M CB -1.980 30.542 32.600 -0.130 0.000 1.418 396 M HN 0.636 nan 8.290 nan 0.000 0.486 397 C N 0.265 119.298 119.300 -0.445 0.000 2.432 397 C HA -0.216 4.244 4.460 0.001 0.000 0.277 397 C C 2.577 177.217 174.990 -0.583 0.000 1.249 397 C CA 0.852 59.550 59.018 -0.534 0.000 1.725 397 C CB -1.019 26.324 27.740 -0.661 0.000 2.028 397 C HN 0.519 nan 8.230 nan 0.000 0.477 398 Y N 1.933 121.957 120.300 -0.461 0.000 2.165 398 Y HA -0.023 4.528 4.550 0.001 0.000 0.286 398 Y C -0.062 175.823 175.900 -0.025 0.000 1.155 398 Y CA 1.520 59.400 58.100 -0.366 0.000 1.164 398 Y CB -2.481 35.851 38.460 -0.214 0.000 0.978 398 Y HN 0.398 nan 8.280 nan 0.000 0.513 399 P HA -0.065 nan 4.420 nan 0.000 0.226 399 P C 1.253 178.590 177.300 0.062 0.000 1.153 399 P CA 1.409 64.551 63.100 0.071 0.000 0.777 399 P CB -0.025 31.683 31.700 0.014 0.000 0.794 400 L N -2.339 118.905 121.223 0.035 0.000 2.316 400 L HA 0.182 4.522 4.340 0.001 0.000 0.207 400 L C 1.556 178.460 176.870 0.056 0.000 1.070 400 L CA 0.001 54.834 54.840 -0.011 0.000 0.820 400 L CB -0.483 41.515 42.059 -0.102 0.000 0.992 400 L HN -0.015 nan 8.230 nan 0.000 0.466 401 F N -0.545 119.334 119.950 -0.119 0.000 2.362 401 F HA 0.235 4.763 4.527 0.001 0.000 0.311 401 F C 1.027 176.800 175.800 -0.045 0.000 1.161 401 F CA -0.849 57.079 58.000 -0.121 0.000 1.085 401 F CB 0.351 39.281 39.000 -0.117 0.000 1.311 401 F HN 0.026 nan 8.300 nan 0.000 0.524 402 N N 1.284 119.736 118.700 -0.413 0.000 2.714 402 N HA -0.184 4.557 4.740 0.001 0.000 0.252 402 N C 0.015 175.457 175.510 -0.112 0.000 1.014 402 N CA 0.849 53.687 53.050 -0.353 0.000 0.735 402 N CB -1.319 36.761 38.487 -0.678 0.000 0.924 402 N HN 1.539 nan 8.380 nan 0.000 0.540 403 G N -0.754 107.967 108.800 -0.132 0.000 3.129 403 G HA2 0.003 3.963 3.960 0.001 0.000 0.385 403 G HA3 0.003 3.963 3.960 0.001 0.000 0.385 403 G C 0.475 175.349 174.900 -0.045 0.000 1.046 403 G CA 0.129 45.151 45.100 -0.130 0.000 0.933 403 G HN 0.733 nan 8.290 nan 0.000 0.424 404 G N 1.389 110.162 108.800 -0.045 0.000 2.559 404 G HA2 0.330 4.290 3.960 0.001 0.000 0.235 404 G HA3 0.330 4.290 3.960 0.001 0.000 0.235 404 G C 1.026 175.924 174.900 -0.004 0.000 1.266 404 G CA 0.291 45.382 45.100 -0.014 0.000 0.847 404 G HN 0.662 nan 8.290 nan 0.000 0.583 405 N N 0.571 119.278 118.700 0.011 0.000 2.188 405 N HA -0.116 4.624 4.740 0.001 0.000 0.184 405 N C 2.130 177.641 175.510 0.003 0.000 1.018 405 N CA 0.616 53.674 53.050 0.013 0.000 0.858 405 N CB -0.044 38.455 38.487 0.021 0.000 0.989 405 N HN 0.394 nan 8.380 nan 0.000 0.426 406 I N 0.100 120.668 120.570 -0.003 0.000 2.277 406 I HA -0.003 4.167 4.170 0.001 0.000 0.243 406 I C 2.321 178.435 176.117 -0.006 0.000 1.094 406 I CA 1.003 62.300 61.300 -0.005 0.000 1.393 406 I CB -1.614 36.381 38.000 -0.008 0.000 1.078 406 I HN 0.070 nan 8.210 nan 0.000 0.417 407 G N 0.161 108.956 108.800 -0.007 0.000 2.411 407 G HA2 0.033 3.994 3.960 0.001 0.000 0.213 407 G HA3 0.033 3.994 3.960 0.001 0.000 0.213 407 G C 1.744 176.647 174.900 0.005 0.000 1.166 407 G CA 0.257 45.356 45.100 -0.001 0.000 0.802 407 G HN 0.252 nan 8.290 nan 0.000 0.533 408 L N -0.862 120.359 121.223 -0.003 0.000 2.379 408 L HA 0.274 4.614 4.340 0.001 0.000 0.190 408 L C 2.934 179.804 176.870 0.001 0.000 1.111 408 L CA -0.089 54.752 54.840 0.002 0.000 0.820 408 L CB -0.133 41.909 42.059 -0.027 0.000 1.046 408 L HN -0.128 nan 8.230 nan 0.000 0.485 409 R N 0.550 121.047 120.500 -0.004 0.000 2.092 409 R HA -0.054 4.286 4.340 0.001 0.000 0.231 409 R C 2.196 178.493 176.300 -0.007 0.000 1.119 409 R CA 1.151 57.251 56.100 -0.000 0.000 0.970 409 R CB -0.773 29.532 30.300 0.009 0.000 0.864 409 R HN 0.299 nan 8.270 nan 0.000 0.440 410 R N 0.453 120.950 120.500 -0.006 0.000 2.120 410 R HA -0.007 4.334 4.340 0.001 0.000 0.234 410 R C 2.116 178.400 176.300 -0.026 0.000 1.123 410 R CA 1.042 57.133 56.100 -0.014 0.000 0.975 410 R CB -0.020 30.274 30.300 -0.009 0.000 0.866 410 R HN 0.107 nan 8.270 nan 0.000 0.446 411 R N 0.633 121.122 120.500 -0.019 0.000 2.093 411 R HA -0.037 4.304 4.340 0.001 0.000 0.224 411 R C 2.031 178.312 176.300 -0.031 0.000 1.101 411 R CA 1.042 57.127 56.100 -0.024 0.000 0.979 411 R CB -0.518 29.774 30.300 -0.012 0.000 0.877 411 R HN 0.411 nan 8.270 nan 0.000 0.441 412 Q N 0.546 120.335 119.800 -0.018 0.000 2.084 412 Q HA -0.075 4.265 4.340 0.001 0.000 0.202 412 Q C 2.146 178.112 176.000 -0.056 0.000 0.978 412 Q CA 1.634 57.426 55.803 -0.019 0.000 0.844 412 Q CB -0.171 28.571 28.738 0.006 0.000 0.898 412 Q HN 0.255 nan 8.270 nan 0.000 0.426 413 M N 0.450 120.011 119.600 -0.064 0.000 2.132 413 M HA -0.249 4.232 4.480 0.001 0.000 0.263 413 M C 2.287 178.497 176.300 -0.150 0.000 1.065 413 M CA 1.561 56.799 55.300 -0.103 0.000 1.122 413 M CB -0.011 32.541 32.600 -0.079 0.000 1.365 413 M HN 0.159 nan 8.290 nan 0.000 0.411 414 Q N 0.286 120.016 119.800 -0.117 0.000 2.061 414 Q HA -0.271 4.069 4.340 0.001 0.000 0.204 414 Q C 2.171 178.082 176.000 -0.149 0.000 0.984 414 Q CA 2.835 58.560 55.803 -0.131 0.000 0.846 414 Q CB -0.162 28.526 28.738 -0.083 0.000 0.902 414 Q HN 0.639 nan 8.270 nan 0.000 0.421 415 R N -0.019 120.414 120.500 -0.113 0.000 2.083 415 R HA -0.129 4.211 4.340 0.001 0.000 0.237 415 R C 2.278 178.495 176.300 -0.138 0.000 1.137 415 R CA 1.870 57.910 56.100 -0.101 0.000 0.951 415 R CB -1.798 28.464 30.300 -0.064 0.000 0.851 415 R HN 0.266 nan 8.270 nan 0.000 0.434 416 V N 1.163 120.978 119.914 -0.165 0.000 2.287 416 V HA -0.339 3.781 4.120 0.001 0.000 0.248 416 V C 2.740 178.583 176.094 -0.419 0.000 1.053 416 V CA 2.525 64.704 62.300 -0.202 0.000 1.027 416 V CB -0.554 31.164 31.823 -0.175 0.000 0.646 416 V HN 0.598 nan 8.190 nan 0.000 0.447 417 M N -0.105 119.101 119.600 -0.657 0.000 2.279 417 M HA -0.103 4.377 4.480 0.001 0.000 0.264 417 M C 2.186 178.166 176.300 -0.533 0.000 1.062 417 M CA 1.800 56.426 55.300 -1.124 0.000 1.099 417 M CB -0.493 31.614 32.600 -0.822 0.000 1.394 417 M HN 0.396 nan 8.290 nan 0.000 0.426 418 A N 0.405 123.055 122.820 -0.283 0.000 2.066 418 A HA 0.120 4.441 4.320 0.001 0.000 0.218 418 A C 1.051 178.591 177.584 -0.074 0.000 1.157 418 A CA 0.220 52.173 52.037 -0.139 0.000 0.670 418 A CB -0.580 18.359 19.000 -0.101 0.000 0.804 418 A HN 0.359 nan 8.150 nan 0.000 0.453 419 L N 0.831 122.013 121.223 -0.067 0.000 2.499 419 L HA -0.014 4.327 4.340 0.001 0.000 0.273 419 L C 1.290 178.185 176.870 0.042 0.000 1.195 419 L CA -0.325 54.515 54.840 -0.001 0.000 0.882 419 L CB 0.242 42.311 42.059 0.017 0.000 1.133 419 L HN 0.447 nan 8.230 nan 0.000 0.483 420 E N 1.826 122.045 120.200 0.030 0.000 2.171 420 E HA -0.233 4.118 4.350 0.001 0.000 0.197 420 E C 0.409 177.038 176.600 0.048 0.000 0.997 420 E CA 1.629 58.049 56.400 0.034 0.000 0.810 420 E CB -0.050 29.662 29.700 0.021 0.000 0.738 420 E HN 0.755 nan 8.360 nan 0.000 0.467 421 D N -0.718 119.715 120.400 0.055 0.000 2.525 421 D HA -0.070 4.571 4.640 0.001 0.000 0.229 421 D C -0.152 176.188 176.300 0.067 0.000 1.202 421 D CA -0.599 53.427 54.000 0.045 0.000 0.828 421 D CB -1.019 39.799 40.800 0.031 0.000 1.008 421 D HN 0.179 nan 8.370 nan 0.000 0.493 422 Y N 1.622 121.893 120.300 -0.048 0.000 2.620 422 Y HA 0.099 4.649 4.550 0.001 0.000 0.330 422 Y C -0.133 175.714 175.900 -0.089 0.000 1.186 422 Y CA 0.169 58.224 58.100 -0.076 0.000 1.467 422 Y CB 0.601 39.006 38.460 -0.091 0.000 1.262 422 Y HN -0.101 nan 8.280 nan 0.000 0.550 423 E N 9.093 128.973 120.200 -0.533 0.000 2.255 423 E HA 0.141 4.492 4.350 0.001 0.000 0.245 423 E C -1.865 174.196 176.600 -0.899 0.000 0.909 423 E CA -2.022 54.027 56.400 -0.585 0.000 0.747 423 E CB 1.147 30.706 29.700 -0.236 0.000 1.215 423 E HN 0.609 nan 8.360 nan 0.000 0.424 424 P HA -0.185 nan 4.420 nan 0.000 0.216 424 P C 0.302 177.019 177.300 -0.972 0.000 1.153 424 P CA 1.422 63.695 63.100 -1.378 0.000 0.858 424 P CB 0.088 30.846 31.700 -1.571 0.000 0.789 425 W N -1.202 120.011 121.300 -0.145 0.000 3.239 425 W HA 0.532 5.192 4.660 0.001 0.000 0.368 425 W C 2.115 178.607 176.519 -0.046 0.000 1.154 425 W CA -0.182 57.136 57.345 -0.046 0.000 1.860 425 W CB -0.510 29.018 29.460 0.115 0.000 1.094 425 W HN -0.087 nan 8.180 nan 0.000 0.643 426 A N 1.201 124.043 122.820 0.037 0.000 1.948 426 A HA -0.150 4.170 4.320 0.001 0.000 0.220 426 A C 2.166 179.766 177.584 0.027 0.000 1.177 426 A CA 2.188 54.240 52.037 0.025 0.000 0.636 426 A CB -0.795 18.179 19.000 -0.043 0.000 0.815 426 A HN 0.260 nan 8.150 nan 0.000 0.449 427 A N -1.937 120.889 122.820 0.010 0.000 2.168 427 A HA 0.140 4.461 4.320 0.001 0.000 0.215 427 A C 2.009 179.576 177.584 -0.029 0.000 1.152 427 A CA 1.890 53.923 52.037 -0.007 0.000 0.716 427 A CB -0.432 18.560 19.000 -0.013 0.000 0.794 427 A HN 0.435 nan 8.150 nan 0.000 0.465 428 T N -2.758 111.764 114.554 -0.054 0.000 3.114 428 T HA 0.140 4.491 4.350 0.001 0.000 0.240 428 T C 1.025 175.578 174.700 -0.245 0.000 0.983 428 T CA 0.614 62.570 62.100 -0.240 0.000 1.151 428 T CB -0.117 68.471 68.868 -0.465 0.000 0.974 428 T HN 0.489 nan 8.240 nan 0.000 0.442 429 Y N 1.423 121.765 120.300 0.069 0.000 2.524 429 Y HA 0.456 5.007 4.550 0.001 0.000 0.266 429 Y C 1.381 177.301 175.900 0.034 0.000 1.180 429 Y CA -0.277 57.848 58.100 0.041 0.000 1.244 429 Y CB 0.483 38.971 38.460 0.047 0.000 1.125 429 Y HN 0.419 nan 8.280 nan 0.000 0.524 430 G N 0.883 109.766 108.800 0.138 0.000 2.787 430 G HA2 -0.235 3.725 3.960 0.001 0.000 0.685 430 G HA3 -0.235 3.725 3.960 0.001 0.000 0.685 430 G C -0.416 174.532 174.900 0.080 0.000 1.437 430 G CA -0.263 44.889 45.100 0.087 0.000 0.872 430 G HN 0.262 nan 8.290 nan 0.000 0.566 431 S N 0.204 115.932 115.700 0.046 0.000 2.584 431 S HA 0.772 5.242 4.470 0.001 0.000 0.273 431 S C 1.190 175.808 174.600 0.030 0.000 1.311 431 S CA 0.976 59.194 58.200 0.030 0.000 1.034 431 S CB 0.643 63.853 63.200 0.018 0.000 0.939 431 S HN 2.301 nan 8.310 nan 0.000 0.513 432 S N 0.000 115.712 115.700 0.020 0.000 2.498 432 S HA 0.000 4.471 4.470 0.001 0.000 0.327 432 S CA 0.000 58.209 58.200 0.016 0.000 1.107 432 S CB 0.000 63.206 63.200 0.009 0.000 0.593 432 S HN 0.000 nan 8.310 nan 0.000 0.517