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 1a2g_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPWGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMHLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.669 176.870 -0.335 0.000 1.165 4 L CA 0.000 54.695 54.840 -0.241 0.000 0.813 4 L CB 0.000 41.863 42.059 -0.326 0.000 0.961 5 V N 1.609 121.319 119.914 -0.340 0.000 2.513 5 V HA 0.286 nan 4.120 nan 0.000 0.299 5 V C -1.148 174.666 176.094 -0.468 0.000 1.035 5 V CA -1.150 60.951 62.300 -0.331 0.000 0.889 5 V CB 1.491 33.206 31.823 -0.180 0.000 0.988 5 V HN 0.052 8.085 8.190 -0.261 0.000 0.440 6 H N 5.284 124.143 119.070 -0.353 0.000 2.887 6 H HA 0.295 nan 4.556 nan 0.000 0.300 6 H C -1.415 173.538 175.328 -0.626 0.000 1.038 6 H CA -1.115 54.502 56.048 -0.718 0.000 1.352 6 H CB 1.123 30.107 29.762 -1.296 0.000 1.473 6 H HN 0.452 8.525 8.280 -0.344 0.000 0.503 7 V N 3.695 123.482 119.914 -0.212 0.000 2.465 7 V HA 0.309 nan 4.120 nan 0.000 0.279 7 V C -0.777 175.322 176.094 0.008 0.000 1.045 7 V CA -1.284 60.940 62.300 -0.127 0.000 0.938 7 V CB 0.387 32.179 31.823 -0.052 0.000 0.986 7 V HN 0.483 8.606 8.190 -0.110 0.000 0.467 8 A N 7.718 130.458 122.820 -0.132 0.000 2.488 8 A HA 0.040 nan 4.320 nan 0.000 0.249 8 A C -1.412 176.208 177.584 0.060 0.000 1.083 8 A CA 0.204 52.218 52.037 -0.037 0.000 0.768 8 A CB 0.563 19.439 19.000 -0.207 0.000 1.017 8 A HN 0.576 8.543 8.150 -0.305 0.000 0.496 9 S N 4.398 120.155 115.700 0.095 0.000 2.745 9 S HA 0.099 nan 4.470 nan 0.000 0.283 9 S C -0.784 173.883 174.600 0.112 0.000 1.170 9 S CA -1.098 57.158 58.200 0.094 0.000 1.119 9 S CB 1.019 64.277 63.200 0.096 0.000 1.035 9 S HN -0.021 8.260 8.310 0.100 0.089 0.483 10 V N 5.755 125.745 119.914 0.127 0.000 2.681 10 V HA -0.192 nan 4.120 nan 0.000 0.306 10 V C 0.384 176.597 176.094 0.198 0.000 1.077 10 V CA 0.701 63.113 62.300 0.187 0.000 1.224 10 V CB 0.193 32.126 31.823 0.184 0.000 0.879 10 V HN 0.198 8.453 8.190 0.109 0.000 0.494 11 E N 6.205 126.577 120.200 0.286 0.000 2.465 11 E HA -0.162 nan 4.350 nan 0.000 0.260 11 E C -0.430 176.248 176.600 0.130 0.000 0.980 11 E CA 0.593 57.142 56.400 0.249 0.000 0.927 11 E CB 0.490 30.442 29.700 0.419 0.000 0.934 11 E HN 0.284 8.878 8.360 0.389 0.000 0.459 12 K N 6.621 127.071 120.400 0.084 0.000 2.402 12 K HA -0.350 nan 4.320 nan 0.000 0.279 12 K C 0.416 176.992 176.600 -0.041 0.000 1.082 12 K CA 1.693 57.998 56.287 0.031 0.000 1.080 12 K CB -0.364 32.156 32.500 0.034 0.000 0.899 12 K HN 0.634 8.947 8.250 0.106 0.000 0.469 13 G N 3.790 112.572 108.800 -0.030 0.000 2.176 13 G HA2 -0.324 nan 3.960 nan 0.000 0.253 13 G HA3 -0.324 nan 3.960 nan 0.000 0.253 13 G C -0.116 174.706 174.900 -0.131 0.000 0.979 13 G CA -0.130 44.928 45.100 -0.070 0.000 0.641 13 G HN 0.214 8.513 8.290 0.014 0.000 0.530 14 R N 0.322 120.736 120.500 -0.143 0.000 2.357 14 R HA 0.302 nan 4.340 nan 0.000 0.296 14 R C -0.449 175.866 176.300 0.025 0.000 1.052 14 R CA -1.457 54.494 56.100 -0.248 0.000 0.988 14 R CB 0.506 30.515 30.300 -0.486 0.000 1.025 14 R HN -0.351 7.825 8.270 -0.067 0.053 0.469 15 S N 5.092 120.785 115.700 -0.013 0.000 2.798 15 S HA 0.347 nan 4.470 nan 0.000 0.312 15 S C 0.276 174.988 174.600 0.186 0.000 1.122 15 S CA -1.268 57.029 58.200 0.160 0.000 0.949 15 S CB 2.405 65.654 63.200 0.082 0.000 1.235 15 S HN 0.288 8.838 8.310 -0.167 -0.340 0.552 16 Y N 2.559 122.812 120.300 -0.079 0.000 2.151 16 Y HA -0.425 nan 4.550 nan 0.000 0.284 16 Y C 1.315 177.136 175.900 -0.130 0.000 1.166 16 Y CA 3.926 61.728 58.100 -0.496 0.000 1.163 16 Y CB 0.010 38.147 38.460 -0.538 0.000 0.974 16 Y HN 0.498 8.915 8.280 0.229 0.000 0.511 17 E N -3.047 116.959 120.200 -0.325 0.000 2.153 17 E HA -0.367 nan 4.350 nan 0.000 0.194 17 E C 2.432 178.893 176.600 -0.233 0.000 0.988 17 E CA 3.179 59.376 56.400 -0.338 0.000 0.811 17 E CB -0.820 28.796 29.700 -0.139 0.000 0.746 17 E HN -0.242 8.057 8.360 -0.081 0.013 0.466 18 D N -0.340 119.939 120.400 -0.202 0.000 2.117 18 D HA -0.224 nan 4.640 nan 0.000 0.198 18 D C 2.223 178.440 176.300 -0.138 0.000 0.982 18 D CA 3.620 57.501 54.000 -0.199 0.000 0.828 18 D CB -0.071 40.425 40.800 -0.507 0.000 0.967 18 D HN -0.444 7.795 8.370 -0.188 0.018 0.464 19 F N -0.749 119.236 119.950 0.058 0.000 2.206 19 F HA -0.185 nan 4.527 nan 0.000 0.298 19 F C 2.065 177.709 175.800 -0.260 0.000 1.090 19 F CA 2.964 60.996 58.000 0.055 0.000 1.323 19 F CB -0.329 38.899 39.000 0.380 0.000 1.028 19 F HN -1.014 7.254 8.300 -0.052 0.000 0.492 20 Q N -0.720 119.009 119.800 -0.117 0.000 2.234 20 Q HA -0.381 nan 4.340 nan 0.000 0.206 20 Q C 2.013 177.890 176.000 -0.205 0.000 0.980 20 Q CA 3.129 58.779 55.803 -0.257 0.000 0.869 20 Q CB -0.674 27.815 28.738 -0.415 0.000 0.912 20 Q HN 0.274 8.438 8.270 -0.177 0.000 0.436 21 K N -0.570 119.719 120.400 -0.184 0.000 2.103 21 K HA -0.245 nan 4.320 nan 0.000 0.204 21 K C 2.365 178.711 176.600 -0.422 0.000 1.052 21 K CA 3.302 59.501 56.287 -0.147 0.000 0.945 21 K CB -0.166 32.356 32.500 0.036 0.000 0.722 21 K HN -0.570 7.468 8.250 -0.172 0.109 0.443 22 V N 0.513 119.998 119.914 -0.716 0.000 2.427 22 V HA -0.354 nan 4.120 nan 0.000 0.248 22 V C 1.698 177.498 176.094 -0.491 0.000 1.051 22 V CA 4.407 66.139 62.300 -0.945 0.000 1.048 22 V CB -1.078 30.258 31.823 -0.812 0.000 0.666 22 V HN -0.616 7.180 8.190 -0.526 0.078 0.456 23 Y N -0.144 119.817 120.300 -0.566 0.000 2.070 23 Y HA -0.613 nan 4.550 nan 0.000 0.280 23 Y C 1.448 177.172 175.900 -0.293 0.000 1.148 23 Y CA 3.671 61.465 58.100 -0.511 0.000 1.125 23 Y CB -0.148 37.872 38.460 -0.733 0.000 0.975 23 Y HN 0.133 8.181 8.280 -0.386 0.000 0.492 24 N N -0.911 117.865 118.700 0.127 0.000 2.060 24 N HA -0.599 nan 4.740 nan 0.000 0.195 24 N C 2.072 177.572 175.510 -0.017 0.000 1.028 24 N CA 3.206 56.305 53.050 0.080 0.000 0.861 24 N CB -0.188 38.330 38.487 0.052 0.000 1.029 24 N HN -0.068 8.379 8.380 0.111 0.000 0.428 25 A N -0.163 122.623 122.820 -0.056 0.000 1.933 25 A HA -0.232 nan 4.320 nan 0.000 0.218 25 A C 2.197 179.725 177.584 -0.093 0.000 1.175 25 A CA 2.949 54.971 52.037 -0.026 0.000 0.628 25 A CB -0.592 18.464 19.000 0.094 0.000 0.814 25 A HN -0.169 7.916 8.150 -0.107 0.000 0.444 26 I N -1.438 119.037 120.570 -0.158 0.000 2.252 26 I HA -0.557 nan 4.170 nan 0.000 0.245 26 I C 1.744 177.815 176.117 -0.077 0.000 1.102 26 I CA 3.904 65.135 61.300 -0.115 0.000 1.385 26 I CB -0.181 37.700 38.000 -0.198 0.000 1.064 26 I HN -0.127 7.953 8.210 -0.216 0.000 0.414 27 A N 0.195 122.908 122.820 -0.179 0.000 1.898 27 A HA -0.245 nan 4.320 nan 0.000 0.216 27 A C 1.979 179.557 177.584 -0.011 0.000 1.181 27 A CA 3.339 55.303 52.037 -0.121 0.000 0.620 27 A CB -0.651 18.263 19.000 -0.143 0.000 0.819 27 A HN 0.189 8.188 8.150 -0.252 0.000 0.442 28 L N -1.924 119.294 121.223 -0.008 0.000 2.046 28 L HA -0.315 nan 4.340 nan 0.000 0.208 28 L C 2.078 178.951 176.870 0.005 0.000 1.077 28 L CA 2.530 57.375 54.840 0.007 0.000 0.747 28 L CB -1.077 40.981 42.059 -0.001 0.000 0.896 28 L HN 0.064 8.279 8.230 -0.025 0.000 0.432 29 K N -0.455 119.929 120.400 -0.027 0.000 2.288 29 K HA -0.238 nan 4.320 nan 0.000 0.201 29 K C 2.534 179.230 176.600 0.159 0.000 1.048 29 K CA 3.021 59.271 56.287 -0.061 0.000 0.956 29 K CB -0.278 32.014 32.500 -0.347 0.000 0.746 29 K HN -0.574 7.645 8.250 -0.052 0.000 0.461 30 L N -1.353 120.015 121.223 0.241 0.000 2.056 30 L HA -0.345 nan 4.340 nan 0.000 0.207 30 L C 1.895 178.859 176.870 0.157 0.000 1.078 30 L CA 2.875 57.858 54.840 0.239 0.000 0.749 30 L CB -0.293 41.829 42.059 0.105 0.000 0.901 30 L HN -0.207 8.009 8.230 0.168 0.115 0.433 31 R N -2.337 118.225 120.500 0.102 0.000 2.083 31 R HA -0.333 nan 4.340 nan 0.000 0.237 31 R C 2.129 178.480 176.300 0.084 0.000 1.137 31 R CA 2.726 58.876 56.100 0.083 0.000 0.951 31 R CB 0.033 30.370 30.300 0.061 0.000 0.851 31 R HN -0.323 7.998 8.270 0.085 0.000 0.434 32 E N -1.757 118.489 120.200 0.076 0.000 2.028 32 E HA -0.193 nan 4.350 nan 0.000 0.191 32 E C 2.061 178.714 176.600 0.088 0.000 0.988 32 E CA 2.376 58.813 56.400 0.062 0.000 0.799 32 E CB 0.228 29.943 29.700 0.024 0.000 0.755 32 E HN -0.516 7.886 8.360 0.070 0.000 0.447 33 D N 0.437 120.927 120.400 0.150 0.000 3.060 33 D HA 0.185 nan 4.640 nan 0.000 0.245 33 D C -0.138 176.280 176.300 0.196 0.000 1.274 33 D CA -0.691 53.434 54.000 0.208 0.000 0.864 33 D CB -1.841 39.171 40.800 0.353 0.000 1.073 33 D HN -0.247 8.229 8.370 0.177 0.000 0.473 34 D N -1.725 118.727 120.400 0.087 0.000 2.378 34 D HA -0.297 nan 4.640 nan 0.000 0.222 34 D C 0.028 176.213 176.300 -0.192 0.000 0.980 34 D CA 2.258 56.272 54.000 0.024 0.000 0.907 34 D CB -0.499 40.337 40.800 0.060 0.000 0.899 34 D HN -0.386 7.939 8.370 0.080 0.093 0.527 35 E N -2.608 117.408 120.200 -0.308 0.000 2.299 35 E HA -0.252 nan 4.350 nan 0.000 0.193 35 E C 0.330 176.705 176.600 -0.375 0.000 0.998 35 E CA -0.059 55.915 56.400 -0.711 0.000 0.851 35 E CB -0.844 28.552 29.700 -0.507 0.000 0.795 35 E HN -0.022 8.188 8.360 -0.128 0.073 0.492 36 Y N 4.182 124.310 120.300 -0.288 0.000 2.805 36 Y HA -0.380 nan 4.550 nan 0.000 0.337 36 Y C -1.147 174.595 175.900 -0.263 0.000 1.252 36 Y CA 2.048 59.952 58.100 -0.327 0.000 1.515 36 Y CB 0.407 38.433 38.460 -0.723 0.000 1.305 36 Y HN -0.927 7.366 8.280 0.022 0.000 0.600 37 D N 6.325 126.200 120.400 -0.875 0.000 2.812 37 D HA -0.457 nan 4.640 nan 0.000 0.237 37 D C -1.069 175.100 176.300 -0.219 0.000 1.162 37 D CA 1.101 54.731 54.000 -0.616 0.000 0.740 37 D CB -0.772 39.593 40.800 -0.725 0.000 1.000 37 D HN 0.447 8.233 8.370 -0.974 0.000 0.416 38 N N -2.385 116.252 118.700 -0.106 0.000 2.699 38 N HA -0.418 nan 4.740 nan 0.000 0.256 38 N C -0.885 174.763 175.510 0.230 0.000 0.993 38 N CA 1.378 54.479 53.050 0.085 0.000 0.759 38 N CB -1.181 37.336 38.487 0.051 0.000 0.906 38 N HN 0.432 8.729 8.380 -0.140 0.000 0.541 39 Y N -9.233 111.046 120.300 -0.035 0.000 4.604 39 Y HA -0.483 nan 4.550 nan 0.000 0.230 39 Y C 0.346 176.251 175.900 0.009 0.000 1.066 39 Y CA 1.467 59.569 58.100 0.003 0.000 1.990 39 Y CB -2.236 36.231 38.460 0.012 0.000 1.619 39 Y HN -0.199 7.899 8.280 -0.151 0.092 0.649 40 I N -2.431 118.177 120.570 0.063 0.000 2.353 40 I HA -0.316 nan 4.170 nan 0.000 0.248 40 I C 0.659 176.816 176.117 0.066 0.000 1.119 40 I CA 2.034 63.369 61.300 0.059 0.000 1.417 40 I CB 0.585 38.601 38.000 0.026 0.000 1.078 40 I HN -0.534 7.509 8.210 0.010 0.173 0.421 41 G N -2.919 105.911 108.800 0.049 0.000 2.712 41 G HA2 -0.244 nan 3.960 nan 0.000 0.683 41 G HA3 -0.244 nan 3.960 nan 0.000 0.683 41 G C -0.850 174.098 174.900 0.080 0.000 1.320 41 G CA -0.704 44.443 45.100 0.079 0.000 0.847 41 G HN -0.493 7.797 8.290 0.001 0.000 0.553 42 Y N -0.123 120.149 120.300 -0.046 0.000 2.511 42 Y HA -0.074 nan 4.550 nan 0.000 0.279 42 Y C 1.393 177.137 175.900 -0.260 0.000 1.157 42 Y CA 1.380 59.305 58.100 -0.291 0.000 1.300 42 Y CB -0.210 37.735 38.460 -0.857 0.000 1.052 42 Y HN 0.434 8.836 8.280 0.203 0.000 0.529 43 G N 0.847 109.635 108.800 -0.020 0.000 2.553 43 G HA2 -0.380 nan 3.960 nan 0.000 0.218 43 G HA3 -0.380 nan 3.960 nan 0.000 0.218 43 G C -1.177 173.738 174.900 0.025 0.000 1.195 43 G CA 2.652 47.742 45.100 -0.017 0.000 0.779 43 G HN 0.621 8.871 8.290 0.018 0.052 0.577 44 P HA -0.252 nan 4.420 nan 0.000 0.213 44 P C 0.974 178.346 177.300 0.120 0.000 1.170 44 P CA 2.909 66.078 63.100 0.115 0.000 0.902 44 P CB -0.558 31.232 31.700 0.149 0.000 0.789 45 V N -3.365 116.618 119.914 0.115 0.000 2.594 45 V HA -0.301 nan 4.120 nan 0.000 0.253 45 V C 1.658 177.773 176.094 0.036 0.000 1.069 45 V CA 2.875 65.230 62.300 0.092 0.000 1.082 45 V CB -0.567 31.324 31.823 0.113 0.000 0.680 45 V HN -0.200 8.066 8.190 0.126 0.000 0.469 46 L N -1.477 119.744 121.223 -0.004 0.000 2.093 46 L HA -0.317 nan 4.340 nan 0.000 0.208 46 L C 1.919 178.836 176.870 0.079 0.000 1.085 46 L CA 3.338 58.168 54.840 -0.016 0.000 0.755 46 L CB -0.633 41.364 42.059 -0.104 0.000 0.904 46 L HN -0.352 7.849 8.230 -0.023 0.015 0.435 47 V N -1.410 118.574 119.914 0.117 0.000 2.548 47 V HA -0.384 nan 4.120 nan 0.000 0.249 47 V C 1.317 177.588 176.094 0.296 0.000 1.055 47 V CA 3.500 65.933 62.300 0.222 0.000 1.065 47 V CB -0.780 31.123 31.823 0.135 0.000 0.681 47 V HN 0.058 8.297 8.190 0.082 0.000 0.462 48 R N 0.579 121.218 120.500 0.231 0.000 2.096 48 R HA -0.314 nan 4.340 nan 0.000 0.235 48 R C 1.869 178.228 176.300 0.097 0.000 1.127 48 R CA 3.398 59.663 56.100 0.274 0.000 0.968 48 R CB -0.096 30.295 30.300 0.152 0.000 0.861 48 R HN -0.293 8.081 8.270 0.174 0.000 0.440 49 L N -0.713 120.496 121.223 -0.023 0.000 2.017 49 L HA -0.308 nan 4.340 nan 0.000 0.208 49 L C 1.123 177.949 176.870 -0.074 0.000 1.073 49 L CA 3.073 57.804 54.840 -0.181 0.000 0.745 49 L CB -0.551 41.392 42.059 -0.193 0.000 0.894 49 L HN -0.003 8.233 8.230 0.011 0.000 0.432 50 A N -1.241 121.643 122.820 0.107 0.000 1.940 50 A HA -0.304 nan 4.320 nan 0.000 0.219 50 A C 2.059 179.790 177.584 0.246 0.000 1.176 50 A CA 2.917 55.068 52.037 0.189 0.000 0.631 50 A CB -0.818 18.363 19.000 0.302 0.000 0.814 50 A HN -0.231 8.001 8.150 0.137 0.000 0.446 51 W N -1.389 120.065 121.300 0.257 0.000 2.409 51 W HA -0.389 nan 4.660 nan 0.000 0.299 51 W C 1.317 177.992 176.519 0.261 0.000 1.203 51 W CA 2.878 60.398 57.345 0.292 0.000 1.298 51 W CB 0.033 29.713 29.460 0.367 0.000 1.127 51 W HN -0.315 8.185 8.180 0.534 0.000 0.528 52 H N -0.914 117.814 119.070 -0.570 0.000 2.423 52 H HA -0.318 nan 4.556 nan 0.000 0.297 52 H C 2.215 177.310 175.328 -0.388 0.000 1.075 52 H CA 3.209 58.853 56.048 -0.674 0.000 1.342 52 H CB 0.900 30.369 29.762 -0.489 0.000 1.395 52 H HN -0.258 8.011 8.280 -0.018 0.000 0.530 53 I N -6.426 114.054 120.570 -0.150 0.000 2.761 53 I HA -0.150 nan 4.170 nan 0.000 0.261 53 I C 0.364 176.486 176.117 0.008 0.000 1.198 53 I CA 1.897 63.163 61.300 -0.057 0.000 1.482 53 I CB -0.230 37.764 38.000 -0.011 0.000 1.100 53 I HN -0.331 7.795 8.210 -0.141 0.000 0.445 54 S N -0.096 115.599 115.700 -0.007 0.000 2.446 54 S HA -0.062 nan 4.470 nan 0.000 0.225 54 S C 2.206 176.833 174.600 0.044 0.000 1.016 54 S CA 2.390 60.612 58.200 0.036 0.000 0.943 54 S CB 0.490 63.738 63.200 0.080 0.000 0.786 54 S HN -0.740 7.545 8.310 -0.016 0.016 0.508 55 G N 0.207 108.927 108.800 -0.134 0.000 2.920 55 G HA2 -0.018 nan 3.960 nan 0.000 0.208 55 G HA3 -0.018 nan 3.960 nan 0.000 0.208 55 G C -0.517 174.339 174.900 -0.074 0.000 1.159 55 G CA 1.547 46.536 45.100 -0.185 0.000 0.784 55 G HN -0.009 8.014 8.290 -0.284 0.097 0.535 56 T N -2.926 111.610 114.554 -0.029 0.000 3.148 56 T HA -0.057 nan 4.350 nan 0.000 0.253 56 T C 0.006 174.772 174.700 0.111 0.000 1.134 56 T CA -0.825 61.291 62.100 0.028 0.000 1.051 56 T CB -0.909 67.989 68.868 0.050 0.000 0.959 56 T HN -0.343 7.808 8.240 -0.038 0.065 0.525 57 W N 2.505 123.776 121.300 -0.048 0.000 2.210 57 W HA -0.143 nan 4.660 nan 0.000 0.330 57 W C -1.723 174.745 176.519 -0.085 0.000 1.334 57 W CA 0.571 57.893 57.345 -0.038 0.000 1.227 57 W CB 0.488 29.937 29.460 -0.018 0.000 1.178 57 W HN -0.750 7.531 8.180 0.274 0.064 0.560 58 D N 8.820 128.840 120.400 -0.634 0.000 2.414 58 D HA 0.300 nan 4.640 nan 0.000 0.232 58 D C 0.219 175.721 176.300 -1.329 0.000 1.070 58 D CA -1.623 51.903 54.000 -0.791 0.000 0.839 58 D CB 1.865 42.442 40.800 -0.372 0.000 1.079 58 D HN 0.318 8.417 8.370 -0.452 0.000 0.521 59 K N 6.129 125.567 120.400 -1.603 0.000 2.360 59 K HA -0.313 nan 4.320 nan 0.000 0.201 59 K C 1.136 177.343 176.600 -0.656 0.000 1.046 59 K CA 2.057 57.502 56.287 -1.404 0.000 0.945 59 K CB -0.188 31.730 32.500 -0.970 0.000 0.750 59 K HN 0.129 7.540 8.250 -1.397 0.000 0.464 60 H N -0.552 118.276 119.070 -0.404 0.000 2.333 60 H HA -0.138 nan 4.556 nan 0.000 0.302 60 H C 1.226 176.446 175.328 -0.180 0.000 1.075 60 H CA 1.882 57.792 56.048 -0.230 0.000 1.348 60 H CB 0.410 30.059 29.762 -0.189 0.000 1.393 60 H HN -0.350 7.645 8.280 -0.780 -0.182 0.509 61 D N -4.346 116.008 120.400 -0.076 0.000 2.431 61 D HA -0.054 nan 4.640 nan 0.000 0.213 61 D C 0.407 176.664 176.300 -0.070 0.000 1.130 61 D CA -0.870 53.093 54.000 -0.062 0.000 0.834 61 D CB -0.000 40.775 40.800 -0.041 0.000 0.985 61 D HN -0.504 7.785 8.370 -0.136 0.000 0.504 62 N N -2.001 116.632 118.700 -0.110 0.000 2.713 62 N HA -0.449 nan 4.740 nan 0.000 0.251 62 N C -0.859 174.767 175.510 0.194 0.000 1.117 62 N CA 1.084 54.181 53.050 0.080 0.000 0.770 62 N CB -0.798 37.723 38.487 0.057 0.000 1.137 62 N HN -0.120 8.118 8.380 -0.236 0.000 0.566 63 T N -6.140 108.455 114.554 0.069 0.000 2.882 63 T HA 0.270 nan 4.350 nan 0.000 0.287 63 T C -0.198 174.637 174.700 0.224 0.000 1.014 63 T CA -0.943 61.251 62.100 0.158 0.000 1.049 63 T CB 1.795 70.704 68.868 0.068 0.000 1.001 63 T HN -0.700 7.737 8.240 -0.055 -0.230 0.525 64 G N 3.481 112.424 108.800 0.238 0.000 2.598 64 G HA2 -0.479 nan 3.960 nan 0.000 0.244 64 G HA3 -0.479 nan 3.960 nan 0.000 0.244 64 G C -0.664 174.430 174.900 0.323 0.000 1.302 64 G CA -0.333 44.910 45.100 0.238 0.000 0.903 64 G HN 0.360 8.780 8.290 0.217 0.000 0.575 65 G N -0.924 108.037 108.800 0.268 0.000 2.728 65 G HA2 -0.313 nan 3.960 nan 0.000 0.294 65 G HA3 -0.313 nan 3.960 nan 0.000 0.294 65 G C 0.581 175.544 174.900 0.106 0.000 1.342 65 G CA -0.337 44.865 45.100 0.170 0.000 0.866 65 G HN -0.015 8.365 8.290 0.220 0.043 0.534 66 S N 0.960 116.694 115.700 0.056 0.000 2.461 66 S HA -0.228 nan 4.470 nan 0.000 0.228 66 S C 1.515 176.176 174.600 0.102 0.000 1.005 66 S CA 2.635 60.893 58.200 0.097 0.000 0.942 66 S CB 0.430 63.677 63.200 0.079 0.000 0.776 66 S HN 0.493 8.797 8.310 -0.010 0.000 0.514 67 Y N 4.350 124.598 120.300 -0.088 0.000 2.062 67 Y HA -0.436 nan 4.550 nan 0.000 0.276 67 Y C 0.582 176.439 175.900 -0.072 0.000 1.189 67 Y CA 3.242 61.257 58.100 -0.143 0.000 1.130 67 Y CB -0.125 38.117 38.460 -0.363 0.000 0.959 67 Y HN 0.094 8.440 8.280 0.109 0.000 0.499 68 G N -6.711 102.125 108.800 0.060 0.000 2.920 68 G HA2 -0.071 nan 3.960 nan 0.000 0.208 68 G HA3 -0.071 nan 3.960 nan 0.000 0.208 68 G C 0.029 174.994 174.900 0.109 0.000 1.159 68 G CA -0.413 44.731 45.100 0.073 0.000 0.784 68 G HN 0.003 8.370 8.290 0.129 0.000 0.535 69 G N 0.049 108.931 108.800 0.137 0.000 2.321 69 G HA2 -0.494 nan 3.960 nan 0.000 0.287 69 G HA3 -0.494 nan 3.960 nan 0.000 0.287 69 G C 0.481 175.573 174.900 0.320 0.000 1.018 69 G CA 1.179 46.425 45.100 0.244 0.000 0.855 69 G HN -0.394 7.896 8.290 0.113 0.068 0.507 70 T N -3.412 111.342 114.554 0.333 0.000 3.113 70 T HA -0.298 nan 4.350 nan 0.000 0.263 70 T C 1.114 176.021 174.700 0.346 0.000 1.143 70 T CA 1.736 64.084 62.100 0.412 0.000 1.090 70 T CB -0.946 68.171 68.868 0.416 0.000 0.922 70 T HN 0.221 8.618 8.240 0.299 0.023 0.521 71 Y N 4.383 124.795 120.300 0.187 0.000 2.298 71 Y HA -0.387 nan 4.550 nan 0.000 0.287 71 Y C 0.123 176.044 175.900 0.034 0.000 1.164 71 Y CA 1.267 59.409 58.100 0.070 0.000 1.229 71 Y CB -0.698 37.677 38.460 -0.142 0.000 0.977 71 Y HN -0.559 7.949 8.280 0.457 0.047 0.538 72 R N -1.766 118.668 120.500 -0.110 0.000 2.159 72 R HA -0.310 nan 4.340 nan 0.000 0.237 72 R C 0.686 176.662 176.300 -0.541 0.000 1.131 72 R CA 1.777 57.671 56.100 -0.344 0.000 0.982 72 R CB -0.189 29.944 30.300 -0.278 0.000 0.868 72 R HN -0.806 7.539 8.270 0.179 0.033 0.453 73 F N -1.735 118.170 119.950 -0.075 0.000 2.375 73 F HA 0.150 nan 4.527 nan 0.000 0.333 73 F C 0.767 176.518 175.800 -0.081 0.000 1.104 73 F CA -0.739 57.218 58.000 -0.072 0.000 1.149 73 F CB 0.532 39.534 39.000 0.003 0.000 1.190 73 F HN -0.548 7.474 8.300 -0.212 0.151 0.533 74 K N 3.264 123.741 120.400 0.129 0.000 2.059 74 K HA -0.469 nan 4.320 nan 0.000 0.212 74 K C 1.937 178.614 176.600 0.128 0.000 1.050 74 K CA 4.124 60.461 56.287 0.082 0.000 0.927 74 K CB -0.652 31.886 32.500 0.063 0.000 0.714 74 K HN 0.740 9.100 8.250 0.183 0.000 0.447 75 K N -1.609 118.864 120.400 0.123 0.000 2.020 75 K HA -0.388 nan 4.320 nan 0.000 0.212 75 K C 1.336 178.008 176.600 0.121 0.000 1.050 75 K CA 3.439 59.789 56.287 0.105 0.000 0.929 75 K CB -0.263 32.287 32.500 0.084 0.000 0.714 75 K HN -0.000 8.326 8.250 0.127 0.000 0.443 76 E N -2.669 117.625 120.200 0.155 0.000 2.072 76 E HA -0.214 nan 4.350 nan 0.000 0.190 76 E C 2.624 179.330 176.600 0.175 0.000 0.982 76 E CA 2.224 58.730 56.400 0.177 0.000 0.803 76 E CB 0.091 29.931 29.700 0.233 0.000 0.755 76 E HN -0.577 7.892 8.360 0.181 0.000 0.453 77 F N 0.160 120.035 119.950 -0.125 0.000 2.161 77 F HA -0.322 nan 4.527 nan 0.000 0.300 77 F C 0.337 176.088 175.800 -0.082 0.000 1.089 77 F CA 3.300 61.105 58.000 -0.326 0.000 1.282 77 F CB 0.311 38.971 39.000 -0.567 0.000 1.010 77 F HN -0.099 8.290 8.300 0.148 0.000 0.485 78 N N -3.474 115.279 118.700 0.088 0.000 2.314 78 N HA -0.005 nan 4.740 nan 0.000 0.200 78 N C -1.169 174.362 175.510 0.035 0.000 1.135 78 N CA -0.041 53.035 53.050 0.044 0.000 0.835 78 N CB 0.545 39.093 38.487 0.101 0.000 0.989 78 N HN -0.421 8.057 8.380 0.163 0.000 0.478 79 D N 2.869 123.299 120.400 0.050 0.000 2.472 79 D HA 0.085 nan 4.640 nan 0.000 0.248 79 D C -0.235 176.093 176.300 0.046 0.000 1.174 79 D CA -1.454 52.581 54.000 0.057 0.000 0.883 79 D CB 0.598 41.443 40.800 0.076 0.000 1.149 79 D HN -0.627 7.596 8.370 0.065 0.186 0.488 80 P HA -0.269 nan 4.420 nan 0.000 0.218 80 P C 1.377 178.720 177.300 0.072 0.000 1.154 80 P CA 2.543 65.674 63.100 0.051 0.000 0.872 80 P CB 0.179 31.911 31.700 0.053 0.000 0.790 81 S N -3.221 112.531 115.700 0.087 0.000 2.469 81 S HA -0.312 nan 4.470 nan 0.000 0.238 81 S C 0.860 175.584 174.600 0.206 0.000 0.998 81 S CA 2.961 61.240 58.200 0.133 0.000 0.957 81 S CB -0.513 62.735 63.200 0.080 0.000 0.764 81 S HN -0.363 8.154 8.310 0.073 -0.163 0.514 82 N N -0.171 118.607 118.700 0.129 0.000 2.280 82 N HA 0.031 nan 4.740 nan 0.000 0.192 82 N C -1.250 174.245 175.510 -0.025 0.000 1.109 82 N CA -0.628 52.470 53.050 0.079 0.000 0.855 82 N CB 0.319 38.852 38.487 0.076 0.000 0.974 82 N HN -0.072 8.177 8.380 0.089 0.185 0.482 83 A N -0.724 122.096 122.820 -0.000 0.000 2.583 83 A HA -0.316 nan 4.320 nan 0.000 0.249 83 A C 0.501 178.069 177.584 -0.027 0.000 1.035 83 A CA 1.953 53.978 52.037 -0.020 0.000 0.777 83 A CB -0.719 18.293 19.000 0.020 0.000 0.942 83 A HN -0.367 7.645 8.150 0.037 0.160 0.516 84 G N 3.419 112.189 108.800 -0.051 0.000 2.234 84 G HA2 -0.415 nan 3.960 nan 0.000 0.235 84 G HA3 -0.415 nan 3.960 nan 0.000 0.235 84 G C 1.080 175.958 174.900 -0.037 0.000 0.997 84 G CA 0.756 45.829 45.100 -0.045 0.000 0.623 84 G HN 0.431 8.920 8.290 -0.067 -0.240 0.514 85 L N 0.978 122.150 121.223 -0.084 0.000 2.478 85 L HA -0.298 nan 4.340 nan 0.000 0.223 85 L C 0.754 177.642 176.870 0.029 0.000 1.140 85 L CA 1.753 56.541 54.840 -0.085 0.000 0.842 85 L CB -0.572 41.345 42.059 -0.237 0.000 0.953 85 L HN -0.093 7.996 8.230 -0.110 0.075 0.452 86 Q N -0.994 118.797 119.800 -0.015 0.000 2.234 86 Q HA -0.413 nan 4.340 nan 0.000 0.206 86 Q C 2.186 178.348 176.000 0.270 0.000 0.980 86 Q CA 3.590 59.466 55.803 0.121 0.000 0.869 86 Q CB -0.995 27.782 28.738 0.064 0.000 0.912 86 Q HN 0.503 8.667 8.270 -0.104 0.044 0.436 87 N N -0.329 118.485 118.700 0.190 0.000 2.216 87 N HA -0.198 nan 4.740 nan 0.000 0.183 87 N C 2.215 177.844 175.510 0.198 0.000 1.017 87 N CA 2.547 55.724 53.050 0.211 0.000 0.861 87 N CB -0.579 38.026 38.487 0.197 0.000 0.986 87 N HN -0.580 7.854 8.380 0.129 0.024 0.428 88 G N 0.197 109.092 108.800 0.158 0.000 2.403 88 G HA2 -0.215 nan 3.960 nan 0.000 0.216 88 G HA3 -0.215 nan 3.960 nan 0.000 0.216 88 G C 0.949 175.990 174.900 0.234 0.000 1.154 88 G CA 1.552 46.716 45.100 0.108 0.000 0.784 88 G HN -0.241 8.021 8.290 0.135 0.109 0.538 89 F N 2.940 122.994 119.950 0.173 0.000 2.069 89 F HA -0.361 nan 4.527 nan 0.000 0.298 89 F C 1.253 177.179 175.800 0.209 0.000 1.113 89 F CA 2.822 60.986 58.000 0.273 0.000 1.214 89 F CB 0.261 39.518 39.000 0.428 0.000 0.978 89 F HN -0.236 8.320 8.300 0.426 0.000 0.474 90 K N -2.858 117.702 120.400 0.266 0.000 2.103 90 K HA -0.430 nan 4.320 nan 0.000 0.207 90 K C 1.957 178.532 176.600 -0.042 0.000 1.048 90 K CA 2.910 59.240 56.287 0.072 0.000 0.930 90 K CB -0.236 32.356 32.500 0.154 0.000 0.716 90 K HN -0.141 8.371 8.250 0.438 0.000 0.444 91 F N -1.539 118.272 119.950 -0.233 0.000 2.134 91 F HA -0.268 nan 4.527 nan 0.000 0.299 91 F C 0.883 176.512 175.800 -0.285 0.000 1.097 91 F CA 2.759 60.508 58.000 -0.418 0.000 1.264 91 F CB 0.640 39.217 39.000 -0.705 0.000 1.001 91 F HN -0.765 7.601 8.300 0.119 0.006 0.479 92 L N -3.519 117.723 121.223 0.032 0.000 2.313 92 L HA -0.288 nan 4.340 nan 0.000 0.214 92 L C 1.570 178.340 176.870 -0.167 0.000 1.119 92 L CA 1.781 56.601 54.840 -0.033 0.000 0.809 92 L CB -0.313 41.813 42.059 0.112 0.000 0.933 92 L HN -0.508 7.712 8.230 0.131 0.088 0.449 93 E N 0.678 120.725 120.200 -0.255 0.000 2.058 93 E HA -0.254 nan 4.350 nan 0.000 0.194 93 E C -1.061 175.430 176.600 -0.181 0.000 0.997 93 E CA 5.510 61.746 56.400 -0.273 0.000 0.801 93 E CB -1.588 27.888 29.700 -0.374 0.000 0.746 93 E HN -0.156 8.011 8.360 -0.268 0.033 0.450 94 P HA -0.197 nan 4.420 nan 0.000 0.217 94 P C 1.565 178.777 177.300 -0.146 0.000 1.148 94 P CA 2.689 65.683 63.100 -0.178 0.000 0.828 94 P CB -0.530 31.041 31.700 -0.215 0.000 0.783 95 I N -2.099 118.384 120.570 -0.145 0.000 2.353 95 I HA -0.460 nan 4.170 nan 0.000 0.248 95 I C 1.550 177.697 176.117 0.050 0.000 1.119 95 I CA 3.570 64.843 61.300 -0.045 0.000 1.417 95 I CB -0.186 37.750 38.000 -0.107 0.000 1.078 95 I HN -0.765 7.208 8.210 -0.201 0.116 0.421 96 H N 1.110 120.095 119.070 -0.142 0.000 2.357 96 H HA -0.314 nan 4.556 nan 0.000 0.301 96 H C 2.360 177.591 175.328 -0.162 0.000 1.082 96 H CA 3.063 59.011 56.048 -0.165 0.000 1.342 96 H CB 0.386 30.031 29.762 -0.194 0.000 1.389 96 H HN -0.211 7.983 8.280 -0.010 0.080 0.511 97 K N -2.053 118.290 120.400 -0.095 0.000 2.218 97 K HA -0.241 nan 4.320 nan 0.000 0.205 97 K C 1.145 177.638 176.600 -0.179 0.000 1.046 97 K CA 2.023 58.216 56.287 -0.157 0.000 0.933 97 K CB -0.404 32.010 32.500 -0.143 0.000 0.728 97 K HN -0.231 7.973 8.250 -0.076 0.000 0.454 98 E N -1.849 118.233 120.200 -0.196 0.000 2.230 98 E HA -0.135 nan 4.350 nan 0.000 0.192 98 E C -0.016 176.191 176.600 -0.654 0.000 0.987 98 E CA 1.679 57.839 56.400 -0.400 0.000 0.841 98 E CB 1.067 30.505 29.700 -0.438 0.000 0.783 98 E HN -0.672 7.489 8.360 -0.128 0.122 0.481 99 F N -2.435 117.376 119.950 -0.231 0.000 2.531 99 F HA 0.476 nan 4.527 nan 0.000 0.333 99 F C -2.397 173.063 175.800 -0.567 0.000 1.292 99 F CA -2.928 54.791 58.000 -0.468 0.000 1.184 99 F CB -0.138 38.455 39.000 -0.678 0.000 1.426 99 F HN -0.519 7.679 8.300 -0.022 0.089 0.559 100 P HA -0.141 nan 4.420 nan 0.000 0.226 100 P C -0.323 176.928 177.300 -0.082 0.000 1.153 100 P CA 1.586 64.567 63.100 -0.198 0.000 0.777 100 P CB -0.259 31.368 31.700 -0.121 0.000 0.794 101 W N -5.991 115.344 121.300 0.057 0.000 2.584 101 W HA -0.077 nan 4.660 nan 0.000 0.264 101 W C -0.631 175.958 176.519 0.115 0.000 1.264 101 W CA -1.401 55.981 57.345 0.062 0.000 1.306 101 W CB -0.401 29.082 29.460 0.038 0.000 1.110 101 W HN -0.569 7.456 8.180 -0.167 0.054 0.606 102 I N 2.300 122.732 120.570 -0.229 0.000 2.529 102 I HA -0.032 nan 4.170 nan 0.000 0.284 102 I C -0.217 175.963 176.117 0.105 0.000 1.082 102 I CA -0.291 60.963 61.300 -0.076 0.000 1.406 102 I CB 1.393 39.084 38.000 -0.516 0.000 1.405 102 I HN -0.742 7.012 8.210 -0.702 0.035 0.548 103 S N 7.690 123.467 115.700 0.128 0.000 2.584 103 S HA 0.020 nan 4.470 nan 0.000 0.270 103 S C 1.373 175.883 174.600 -0.152 0.000 1.346 103 S CA 0.628 58.849 58.200 0.035 0.000 1.018 103 S CB 0.823 64.029 63.200 0.009 0.000 0.899 103 S HN 0.039 8.785 8.310 0.226 -0.300 0.542 104 S N 4.927 120.489 115.700 -0.229 0.000 2.353 104 S HA -0.405 nan 4.470 nan 0.000 0.222 104 S C 2.000 176.177 174.600 -0.705 0.000 1.035 104 S CA 3.583 61.385 58.200 -0.663 0.000 1.025 104 S CB -0.464 62.414 63.200 -0.536 0.000 0.902 104 S HN 0.170 8.768 8.310 -0.093 -0.344 0.440 105 G N 0.366 109.021 108.800 -0.242 0.000 2.440 105 G HA2 -0.361 nan 3.960 nan 0.000 0.218 105 G HA3 -0.361 nan 3.960 nan 0.000 0.218 105 G C 0.912 175.849 174.900 0.061 0.000 1.154 105 G CA 1.996 47.089 45.100 -0.012 0.000 0.767 105 G HN -0.117 8.066 8.290 -0.177 0.000 0.552 106 D N 2.382 122.824 120.400 0.069 0.000 2.117 106 D HA -0.176 nan 4.640 nan 0.000 0.197 106 D C 2.191 178.602 176.300 0.184 0.000 0.987 106 D CA 3.002 57.198 54.000 0.328 0.000 0.829 106 D CB -0.295 40.753 40.800 0.415 0.000 0.961 106 D HN -0.680 7.688 8.370 -0.004 0.000 0.460 107 L N 0.482 121.628 121.223 -0.128 0.000 2.005 107 L HA -0.293 nan 4.340 nan 0.000 0.207 107 L C 1.521 178.356 176.870 -0.058 0.000 1.072 107 L CA 3.392 58.080 54.840 -0.252 0.000 0.744 107 L CB -0.251 41.460 42.059 -0.581 0.000 0.895 107 L HN -0.275 7.738 8.230 -0.241 0.072 0.433 108 F N -2.947 117.004 119.950 0.001 0.000 2.161 108 F HA -0.358 nan 4.527 nan 0.000 0.300 108 F C 2.439 178.271 175.800 0.053 0.000 1.089 108 F CA 1.917 59.946 58.000 0.047 0.000 1.282 108 F CB -1.268 37.788 39.000 0.093 0.000 1.010 108 F HN 0.548 8.624 8.300 -0.373 0.000 0.485 109 S N -0.582 115.289 115.700 0.284 0.000 2.395 109 S HA -0.219 nan 4.470 nan 0.000 0.225 109 S C 2.209 176.892 174.600 0.138 0.000 1.027 109 S CA 3.399 61.748 58.200 0.247 0.000 0.965 109 S CB 0.405 63.812 63.200 0.344 0.000 0.812 109 S HN -0.243 8.237 8.310 0.283 0.000 0.482 110 L N 2.709 123.902 121.223 -0.049 0.000 2.217 110 L HA -0.086 nan 4.340 nan 0.000 0.211 110 L C 1.505 178.214 176.870 -0.267 0.000 1.107 110 L CA 1.949 56.498 54.840 -0.485 0.000 0.783 110 L CB -0.470 41.072 42.059 -0.862 0.000 0.919 110 L HN -0.089 8.171 8.230 0.049 0.000 0.442 111 G N -1.396 107.332 108.800 -0.120 0.000 2.476 111 G HA2 -0.464 nan 3.960 nan 0.000 0.218 111 G HA3 -0.464 nan 3.960 nan 0.000 0.218 111 G C 0.844 175.731 174.900 -0.021 0.000 1.164 111 G CA 2.726 47.785 45.100 -0.069 0.000 0.768 111 G HN 0.414 8.663 8.290 -0.069 0.000 0.560 112 G N 0.652 109.509 108.800 0.096 0.000 2.421 112 G HA2 -0.326 nan 3.960 nan 0.000 0.216 112 G HA3 -0.326 nan 3.960 nan 0.000 0.216 112 G C 1.123 176.185 174.900 0.269 0.000 1.171 112 G CA 1.882 47.130 45.100 0.248 0.000 0.775 112 G HN -0.690 7.666 8.290 0.110 0.000 0.543 113 V N 2.461 122.506 119.914 0.217 0.000 2.332 113 V HA -0.456 nan 4.120 nan 0.000 0.248 113 V C 2.312 178.440 176.094 0.057 0.000 1.055 113 V CA 4.327 66.744 62.300 0.196 0.000 1.038 113 V CB -0.697 31.203 31.823 0.128 0.000 0.651 113 V HN -0.400 7.879 8.190 0.147 0.000 0.450 114 T N 0.916 115.384 114.554 -0.144 0.000 2.777 114 T HA -0.267 nan 4.350 nan 0.000 0.266 114 T C 1.375 175.930 174.700 -0.241 0.000 1.040 114 T CA 4.811 66.655 62.100 -0.426 0.000 1.141 114 T CB -0.613 67.820 68.868 -0.725 0.000 0.868 114 T HN 0.203 8.341 8.240 -0.172 0.000 0.444 115 A N 1.250 123.985 122.820 -0.142 0.000 1.873 115 A HA -0.283 nan 4.320 nan 0.000 0.218 115 A C 1.645 179.184 177.584 -0.074 0.000 1.193 115 A CA 3.401 55.386 52.037 -0.087 0.000 0.629 115 A CB -0.912 18.060 19.000 -0.046 0.000 0.826 115 A HN 0.152 8.227 8.150 -0.125 0.000 0.447 116 V N -1.076 118.780 119.914 -0.097 0.000 2.287 116 V HA -0.551 nan 4.120 nan 0.000 0.248 116 V C 2.407 178.352 176.094 -0.248 0.000 1.053 116 V CA 4.627 66.771 62.300 -0.260 0.000 1.027 116 V CB -0.980 30.600 31.823 -0.405 0.000 0.646 116 V HN -0.173 7.991 8.190 -0.043 0.000 0.447 117 Q N -2.163 117.573 119.800 -0.107 0.000 2.123 117 Q HA -0.295 nan 4.340 nan 0.000 0.199 117 Q C 3.212 179.221 176.000 0.015 0.000 0.966 117 Q CA 3.115 58.901 55.803 -0.029 0.000 0.845 117 Q CB -0.185 28.644 28.738 0.152 0.000 0.907 117 Q HN -0.335 7.904 8.270 -0.051 0.000 0.439 118 E N -0.097 120.109 120.200 0.009 0.000 2.208 118 E HA -0.185 nan 4.350 nan 0.000 0.193 118 E C 1.421 178.036 176.600 0.026 0.000 0.988 118 E CA 1.730 58.145 56.400 0.024 0.000 0.828 118 E CB -0.176 29.512 29.700 -0.019 0.000 0.763 118 E HN -0.217 8.125 8.360 -0.030 0.000 0.478 119 M N -1.373 118.233 119.600 0.010 0.000 2.726 119 M HA -0.027 nan 4.480 nan 0.000 0.211 119 M C -1.156 175.189 176.300 0.075 0.000 1.190 119 M CA 0.585 55.916 55.300 0.052 0.000 1.000 119 M CB -0.792 31.853 32.600 0.075 0.000 1.790 119 M HN -0.258 8.019 8.290 -0.021 0.000 0.467 120 Q N -5.717 114.113 119.800 0.050 0.000 2.481 120 Q HA -0.427 nan 4.340 nan 0.000 0.258 120 Q C 0.059 176.070 176.000 0.019 0.000 0.961 120 Q CA 0.901 56.749 55.803 0.075 0.000 1.121 120 Q CB -3.151 25.672 28.738 0.142 0.000 1.503 120 Q HN -0.151 8.023 8.270 0.038 0.118 0.544 121 G N 1.541 110.210 108.800 -0.220 0.000 2.611 121 G HA2 0.069 nan 3.960 nan 0.000 0.273 121 G HA3 0.069 nan 3.960 nan 0.000 0.273 121 G C -1.895 172.574 174.900 -0.717 0.000 1.305 121 G CA -1.077 43.557 45.100 -0.776 0.000 1.010 121 G HN -0.172 7.953 8.290 -0.188 0.051 0.509 122 P HA -0.024 nan 4.420 nan 0.000 0.272 122 P C -1.232 175.932 177.300 -0.228 0.000 1.240 122 P CA -0.550 62.278 63.100 -0.454 0.000 0.791 122 P CB 0.822 32.259 31.700 -0.439 0.000 0.978 123 K N -0.943 119.411 120.400 -0.076 0.000 2.416 123 K HA -0.019 nan 4.320 nan 0.000 0.283 123 K C -0.358 176.249 176.600 0.011 0.000 1.037 123 K CA -0.339 55.943 56.287 -0.007 0.000 0.995 123 K CB -0.030 32.478 32.500 0.013 0.000 0.938 123 K HN 0.136 8.361 8.250 -0.042 0.000 0.475 124 I N 5.916 126.531 120.570 0.075 0.000 2.328 124 I HA 0.178 nan 4.170 nan 0.000 0.287 124 I C -1.726 174.472 176.117 0.134 0.000 1.012 124 I CA -4.880 56.492 61.300 0.119 0.000 1.195 124 I CB -1.293 36.845 38.000 0.230 0.000 1.350 124 I HN -0.245 8.285 8.210 0.110 -0.254 0.464 125 P HA -0.065 nan 4.420 nan 0.000 0.262 125 P C -2.209 175.156 177.300 0.109 0.000 1.182 125 P CA 0.073 63.191 63.100 0.030 0.000 0.761 125 P CB 0.189 31.853 31.700 -0.060 0.000 0.795 126 W N 6.351 127.599 121.300 -0.087 0.000 2.819 126 W HA 0.250 nan 4.660 nan 0.000 0.337 126 W C -2.737 173.656 176.519 -0.210 0.000 1.077 126 W CA -1.440 55.873 57.345 -0.053 0.000 1.226 126 W CB 3.918 33.501 29.460 0.204 0.000 1.419 126 W HN 0.639 8.919 8.180 0.167 0.000 0.502 127 R N 3.528 123.426 120.500 -1.003 0.000 2.514 127 R HA 0.525 nan 4.340 nan 0.000 0.301 127 R C -1.245 174.129 176.300 -1.543 0.000 0.962 127 R CA -1.598 53.819 56.100 -1.139 0.000 0.882 127 R CB 3.379 33.010 30.300 -1.115 0.000 1.143 127 R HN 0.289 7.892 8.270 -1.112 0.000 0.452 128 C N -1.768 116.811 119.300 -1.202 0.000 2.396 128 C HA 0.558 nan 4.460 nan 0.000 0.359 128 C C 0.598 175.428 174.990 -0.266 0.000 1.307 128 C CA -2.186 56.298 59.018 -0.890 0.000 2.392 128 C CB 0.861 28.256 27.740 -0.576 0.000 2.245 128 C HN 0.570 8.199 8.230 -1.001 0.000 0.615 129 G N -0.646 108.125 108.800 -0.049 0.000 2.318 129 G HA2 -0.202 nan 3.960 nan 0.000 0.172 129 G HA3 -0.202 nan 3.960 nan 0.000 0.172 129 G C -1.081 173.799 174.900 -0.033 0.000 1.002 129 G CA -0.185 44.939 45.100 0.040 0.000 0.697 129 G HN 0.390 9.109 8.290 0.008 -0.424 0.483 130 R N 0.723 121.152 120.500 -0.119 0.000 2.643 130 R HA -0.001 nan 4.340 nan 0.000 0.270 130 R C -0.858 175.164 176.300 -0.464 0.000 1.061 130 R CA 0.990 56.836 56.100 -0.424 0.000 1.107 130 R CB 0.766 30.901 30.300 -0.275 0.000 0.999 130 R HN -0.409 8.077 8.270 -0.076 -0.262 0.460 131 V N 3.448 122.836 119.914 -0.876 0.000 2.540 131 V HA 0.083 nan 4.120 nan 0.000 0.302 131 V C -0.949 174.959 176.094 -0.310 0.000 1.035 131 V CA -1.474 60.588 62.300 -0.397 0.000 0.873 131 V CB 2.667 34.376 31.823 -0.189 0.000 0.992 131 V HN -0.142 6.906 8.190 -1.902 0.000 0.428 132 D N 5.072 125.409 120.400 -0.106 0.000 2.472 132 D HA -0.073 nan 4.640 nan 0.000 0.248 132 D C -0.088 176.260 176.300 0.079 0.000 1.174 132 D CA 1.216 55.213 54.000 -0.005 0.000 0.883 132 D CB 0.164 40.981 40.800 0.030 0.000 1.149 132 D HN 0.041 8.370 8.370 -0.069 0.000 0.488 133 T N 0.849 115.494 114.554 0.152 0.000 2.952 133 T HA 0.528 nan 4.350 nan 0.000 0.286 133 T C -2.001 172.851 174.700 0.254 0.000 1.024 133 T CA -3.318 58.900 62.100 0.196 0.000 1.029 133 T CB 0.493 69.490 68.868 0.215 0.000 1.094 133 T HN -0.212 8.029 8.240 0.164 0.097 0.515 134 P HA 0.249 nan 4.420 nan 0.000 0.272 134 P C 0.780 177.910 177.300 -0.283 0.000 1.240 134 P CA -1.185 61.944 63.100 0.050 0.000 0.791 134 P CB 0.776 32.483 31.700 0.011 0.000 0.978 135 E N 1.336 121.034 120.200 -0.836 0.000 2.219 135 E HA -0.404 nan 4.350 nan 0.000 0.198 135 E C 1.480 177.740 176.600 -0.568 0.000 0.998 135 E CA 3.594 59.138 56.400 -1.428 0.000 0.818 135 E CB -0.123 28.903 29.700 -1.123 0.000 0.741 135 E HN 0.534 8.561 8.360 -0.555 0.000 0.477 136 D N -3.512 116.715 120.400 -0.288 0.000 2.349 136 D HA -0.114 nan 4.640 nan 0.000 0.224 136 D C 0.825 177.083 176.300 -0.069 0.000 1.029 136 D CA 1.069 54.985 54.000 -0.141 0.000 0.879 136 D CB -0.794 39.954 40.800 -0.086 0.000 0.906 136 D HN 0.087 8.264 8.370 -0.259 0.038 0.528 137 T N -4.910 109.613 114.554 -0.052 0.000 3.086 137 T HA 0.153 nan 4.350 nan 0.000 0.250 137 T C 0.189 174.932 174.700 0.070 0.000 1.074 137 T CA -0.169 61.956 62.100 0.041 0.000 0.988 137 T CB 0.050 68.980 68.868 0.105 0.000 0.988 137 T HN -0.197 7.820 8.240 -0.105 0.159 0.530 138 T N 7.531 122.102 114.554 0.029 0.000 2.829 138 T HA 0.185 nan 4.350 nan 0.000 0.293 138 T C -1.666 173.087 174.700 0.088 0.000 0.970 138 T CA -0.185 61.977 62.100 0.103 0.000 1.168 138 T CB -0.367 68.551 68.868 0.083 0.000 0.911 138 T HN -0.664 7.360 8.240 -0.072 0.173 0.535 139 P HA 0.017 nan 4.420 nan 0.000 0.269 139 P C -1.626 175.716 177.300 0.069 0.000 1.209 139 P CA -0.703 62.447 63.100 0.084 0.000 0.776 139 P CB 0.583 32.338 31.700 0.091 0.000 0.876 140 D N 1.294 121.725 120.400 0.051 0.000 2.399 140 D HA -0.132 nan 4.640 nan 0.000 0.241 140 D C 0.375 176.706 176.300 0.052 0.000 1.133 140 D CA 0.516 54.545 54.000 0.047 0.000 0.890 140 D CB 0.455 41.277 40.800 0.036 0.000 1.201 140 D HN 0.122 8.519 8.370 0.045 0.000 0.432 141 N N -0.219 118.513 118.700 0.054 0.000 2.381 141 N HA -0.207 nan 4.740 nan 0.000 0.241 141 N C 1.234 176.776 175.510 0.052 0.000 1.279 141 N CA 1.041 54.124 53.050 0.054 0.000 0.896 141 N CB 0.118 38.638 38.487 0.054 0.000 1.118 141 N HN 0.249 8.661 8.380 0.053 0.000 0.438 142 G N 0.100 108.933 108.800 0.055 0.000 2.163 142 G HA2 -0.237 nan 3.960 nan 0.000 0.213 142 G HA3 -0.237 nan 3.960 nan 0.000 0.213 142 G C -0.073 174.878 174.900 0.085 0.000 0.991 142 G CA 0.210 45.351 45.100 0.069 0.000 0.653 142 G HN 0.368 8.687 8.290 0.050 0.000 0.518 143 R N -1.525 119.019 120.500 0.073 0.000 2.280 143 R HA 0.028 nan 4.340 nan 0.000 0.195 143 R C -0.260 176.158 176.300 0.196 0.000 0.935 143 R CA 0.054 56.216 56.100 0.102 0.000 1.033 143 R CB 0.641 30.968 30.300 0.045 0.000 0.964 143 R HN -0.008 8.292 8.270 0.051 0.000 0.489 144 L N -0.501 120.771 121.223 0.082 0.000 2.379 144 L HA 0.276 nan 4.340 nan 0.000 0.269 144 L C -1.944 174.889 176.870 -0.062 0.000 1.084 144 L CA -2.907 51.923 54.840 -0.016 0.000 0.802 144 L CB 0.318 42.215 42.059 -0.270 0.000 1.175 144 L HN -0.431 7.772 8.230 0.040 0.051 0.448 145 P HA 0.091 nan 4.420 nan 0.000 0.280 145 P C -1.443 175.843 177.300 -0.024 0.000 1.244 145 P CA -0.725 62.121 63.100 -0.424 0.000 0.784 145 P CB 0.484 31.533 31.700 -1.086 0.000 0.913 146 D N 5.307 125.761 120.400 0.089 0.000 2.382 146 D HA -0.002 nan 4.640 nan 0.000 0.240 146 D C 0.294 176.580 176.300 -0.024 0.000 1.146 146 D CA 0.436 54.439 54.000 0.004 0.000 0.897 146 D CB 0.719 41.460 40.800 -0.099 0.000 1.197 146 D HN -0.125 8.390 8.370 0.241 0.000 0.432 147 A N -0.175 122.666 122.820 0.034 0.000 2.081 147 A HA 0.000 nan 4.320 nan 0.000 0.214 147 A C -0.436 177.168 177.584 0.032 0.000 1.158 147 A CA 1.585 53.629 52.037 0.012 0.000 0.724 147 A CB 0.466 19.388 19.000 -0.130 0.000 0.826 147 A HN 0.210 8.414 8.150 0.090 0.000 0.463 148 D N -4.101 116.337 120.400 0.063 0.000 3.038 148 D HA 0.017 nan 4.640 nan 0.000 0.243 148 D C -1.081 175.213 176.300 -0.010 0.000 1.245 148 D CA -0.462 53.592 54.000 0.091 0.000 0.871 148 D CB -1.939 38.934 40.800 0.121 0.000 1.089 148 D HN 0.161 8.560 8.370 0.048 0.000 0.464 149 K N -1.315 119.059 120.400 -0.043 0.000 2.318 149 K HA 0.253 nan 4.320 nan 0.000 0.265 149 K C -2.288 174.351 176.600 0.065 0.000 1.055 149 K CA -1.686 54.543 56.287 -0.096 0.000 0.896 149 K CB 2.896 35.077 32.500 -0.533 0.000 1.479 149 K HN -0.687 7.510 8.250 0.010 0.059 0.449 150 D N -4.385 116.093 120.400 0.130 0.000 2.592 150 D HA 0.182 nan 4.640 nan 0.000 0.259 150 D C 0.265 176.719 176.300 0.256 0.000 1.144 150 D CA -1.365 52.746 54.000 0.186 0.000 1.080 150 D CB 2.296 43.192 40.800 0.160 0.000 1.225 150 D HN -0.180 8.262 8.370 0.120 0.000 0.619 151 A N -2.307 120.656 122.820 0.237 0.000 2.125 151 A HA -0.164 nan 4.320 nan 0.000 0.219 151 A C 1.683 179.435 177.584 0.281 0.000 1.156 151 A CA 2.796 55.024 52.037 0.319 0.000 0.671 151 A CB -0.235 18.928 19.000 0.272 0.000 0.794 151 A HN 0.477 8.742 8.150 0.191 0.000 0.459 152 G N -2.617 106.312 108.800 0.215 0.000 2.396 152 G HA2 -0.203 nan 3.960 nan 0.000 0.214 152 G HA3 -0.203 nan 3.960 nan 0.000 0.214 152 G C 0.386 175.429 174.900 0.239 0.000 1.166 152 G CA 1.201 46.407 45.100 0.176 0.000 0.793 152 G HN -0.624 7.939 8.290 0.201 -0.152 0.533 153 Y N 3.168 123.566 120.300 0.163 0.000 2.128 153 Y HA -0.475 nan 4.550 nan 0.000 0.284 153 Y C 1.623 177.681 175.900 0.263 0.000 1.154 153 Y CA 3.851 62.063 58.100 0.186 0.000 1.149 153 Y CB 0.156 38.711 38.460 0.158 0.000 0.976 153 Y HN -0.764 7.942 8.280 0.378 -0.200 0.505 154 V N -0.829 119.352 119.914 0.444 0.000 2.287 154 V HA -0.562 nan 4.120 nan 0.000 0.248 154 V C 1.937 178.318 176.094 0.478 0.000 1.053 154 V CA 4.553 67.130 62.300 0.461 0.000 1.027 154 V CB -1.054 31.038 31.823 0.449 0.000 0.646 154 V HN -0.187 8.311 8.190 0.512 0.000 0.447 155 R N -1.770 118.973 120.500 0.405 0.000 2.083 155 R HA -0.437 nan 4.340 nan 0.000 0.237 155 R C 2.155 178.583 176.300 0.214 0.000 1.137 155 R CA 3.834 60.123 56.100 0.315 0.000 0.951 155 R CB -0.178 30.218 30.300 0.159 0.000 0.851 155 R HN -0.308 8.200 8.270 0.396 0.000 0.434 156 T N 1.228 115.862 114.554 0.133 0.000 2.777 156 T HA -0.239 nan 4.350 nan 0.000 0.266 156 T C 1.910 176.602 174.700 -0.014 0.000 1.040 156 T CA 4.827 66.955 62.100 0.047 0.000 1.141 156 T CB -0.507 68.374 68.868 0.022 0.000 0.868 156 T HN -0.576 7.749 8.240 0.141 0.000 0.444 157 F N 2.964 122.805 119.950 -0.182 0.000 2.075 157 F HA -0.400 nan 4.527 nan 0.000 0.297 157 F C 1.295 177.002 175.800 -0.155 0.000 1.113 157 F CA 3.474 61.307 58.000 -0.279 0.000 1.218 157 F CB 0.404 39.117 39.000 -0.479 0.000 0.984 157 F HN -0.002 8.312 8.300 0.024 0.000 0.472 158 F N -1.792 118.216 119.950 0.097 0.000 2.699 158 F HA -0.258 nan 4.527 nan 0.000 0.298 158 F C 1.479 177.267 175.800 -0.020 0.000 1.154 158 F CA 3.065 61.103 58.000 0.064 0.000 1.457 158 F CB -0.377 38.739 39.000 0.192 0.000 1.106 158 F HN 0.044 8.645 8.300 0.502 0.000 0.585 159 Q N 0.761 120.612 119.800 0.086 0.000 2.167 159 Q HA -0.338 nan 4.340 nan 0.000 0.202 159 Q C 1.790 177.726 176.000 -0.106 0.000 0.970 159 Q CA 3.075 58.889 55.803 0.018 0.000 0.855 159 Q CB -0.498 28.251 28.738 0.018 0.000 0.911 159 Q HN -0.272 8.016 8.270 0.100 0.042 0.438 160 R N -1.616 118.735 120.500 -0.247 0.000 2.241 160 R HA -0.186 nan 4.340 nan 0.000 0.224 160 R C 0.937 177.036 176.300 -0.334 0.000 1.101 160 R CA 2.667 58.535 56.100 -0.386 0.000 0.995 160 R CB 0.025 30.033 30.300 -0.486 0.000 0.870 160 R HN -0.441 7.559 8.270 -0.290 0.097 0.463 161 L N -2.746 118.423 121.223 -0.089 0.000 2.857 161 L HA 0.162 nan 4.340 nan 0.000 0.249 161 L C -0.843 176.228 176.870 0.335 0.000 1.172 161 L CA -1.346 53.652 54.840 0.262 0.000 0.980 161 L CB -0.521 41.714 42.059 0.293 0.000 1.299 161 L HN -0.757 7.243 8.230 -0.102 0.169 0.535 162 N N -1.018 117.785 118.700 0.171 0.000 2.823 162 N HA -0.443 nan 4.740 nan 0.000 0.287 162 N C -0.878 174.730 175.510 0.163 0.000 1.007 162 N CA 1.090 54.228 53.050 0.146 0.000 0.840 162 N CB -1.471 37.086 38.487 0.116 0.000 0.944 162 N HN -0.399 7.915 8.380 0.037 0.088 0.590 163 M N -0.287 119.434 119.600 0.200 0.000 2.144 163 M HA 0.115 nan 4.480 nan 0.000 0.356 163 M C -0.257 176.122 176.300 0.131 0.000 1.217 163 M CA -1.638 53.767 55.300 0.175 0.000 1.087 163 M CB -0.259 32.498 32.600 0.261 0.000 1.609 163 M HN 0.085 8.495 8.290 0.233 0.019 0.467 164 N N 4.824 123.578 118.700 0.089 0.000 2.443 164 N HA 0.058 nan 4.740 nan 0.000 0.294 164 N C 0.085 175.654 175.510 0.097 0.000 1.289 164 N CA -0.822 52.280 53.050 0.087 0.000 0.966 164 N CB 0.429 38.955 38.487 0.064 0.000 1.122 164 N HN 0.441 9.161 8.380 0.076 -0.294 0.569 165 D N -0.141 120.330 120.400 0.118 0.000 2.097 165 D HA -0.258 nan 4.640 nan 0.000 0.195 165 D C 2.423 178.815 176.300 0.153 0.000 0.989 165 D CA 4.288 58.416 54.000 0.214 0.000 0.827 165 D CB -0.301 40.593 40.800 0.155 0.000 0.966 165 D HN 0.311 8.733 8.370 0.087 0.000 0.456 166 R N -0.524 120.033 120.500 0.096 0.000 2.120 166 R HA -0.340 nan 4.340 nan 0.000 0.234 166 R C 2.079 178.441 176.300 0.104 0.000 1.123 166 R CA 3.026 59.182 56.100 0.094 0.000 0.975 166 R CB -0.212 30.135 30.300 0.079 0.000 0.866 166 R HN 0.075 8.394 8.270 0.082 0.000 0.446 167 E N -0.378 119.850 120.200 0.047 0.000 2.107 167 E HA -0.264 nan 4.350 nan 0.000 0.191 167 E C 2.619 179.145 176.600 -0.123 0.000 0.982 167 E CA 3.072 59.470 56.400 -0.004 0.000 0.809 167 E CB -0.033 29.667 29.700 -0.000 0.000 0.756 167 E HN -0.546 8.083 8.360 0.049 -0.239 0.459 168 V N 1.027 120.807 119.914 -0.223 0.000 2.295 168 V HA -0.361 nan 4.120 nan 0.000 0.246 168 V C 2.046 177.910 176.094 -0.383 0.000 1.049 168 V CA 4.688 66.661 62.300 -0.544 0.000 1.024 168 V CB -0.893 30.617 31.823 -0.522 0.000 0.648 168 V HN 0.157 8.280 8.190 -0.113 0.000 0.447 169 V N -1.160 118.649 119.914 -0.175 0.000 2.295 169 V HA -0.445 nan 4.120 nan 0.000 0.246 169 V C 1.957 178.199 176.094 0.246 0.000 1.049 169 V CA 4.444 66.742 62.300 -0.004 0.000 1.024 169 V CB -1.458 30.404 31.823 0.064 0.000 0.648 169 V HN -0.099 8.023 8.190 -0.112 0.000 0.447 170 A N -0.227 122.793 122.820 0.332 0.000 1.883 170 A HA -0.263 nan 4.320 nan 0.000 0.217 170 A C 2.352 180.171 177.584 0.391 0.000 1.186 170 A CA 3.238 55.517 52.037 0.405 0.000 0.624 170 A CB -0.719 18.429 19.000 0.247 0.000 0.822 170 A HN -0.222 8.098 8.150 0.282 0.000 0.444 171 L N -1.731 119.535 121.223 0.072 0.000 2.131 171 L HA -0.241 nan 4.340 nan 0.000 0.210 171 L C 2.375 179.137 176.870 -0.181 0.000 1.092 171 L CA 2.575 57.391 54.840 -0.041 0.000 0.759 171 L CB -0.371 41.541 42.059 -0.246 0.000 0.903 171 L HN -0.050 8.162 8.230 -0.029 0.000 0.435 172 M N -0.532 118.851 119.600 -0.362 0.000 2.557 172 M HA -0.102 nan 4.480 nan 0.000 0.259 172 M C 2.020 177.628 176.300 -1.153 0.000 1.086 172 M CA 1.380 56.240 55.300 -0.734 0.000 1.096 172 M CB -0.607 31.640 32.600 -0.589 0.000 1.424 172 M HN 0.009 8.032 8.290 -0.268 0.106 0.488 173 G N -1.506 106.882 108.800 -0.687 0.000 2.535 173 G HA2 -0.287 nan 3.960 nan 0.000 0.218 173 G HA3 -0.287 nan 3.960 nan 0.000 0.218 173 G C 0.198 174.648 174.900 -0.751 0.000 1.122 173 G CA 1.456 46.040 45.100 -0.861 0.000 0.769 173 G HN 0.019 8.063 8.290 -0.167 0.145 0.549 174 A N 1.614 124.109 122.820 -0.543 0.000 2.121 174 A HA -0.187 nan 4.320 nan 0.000 0.218 174 A C 1.107 178.368 177.584 -0.538 0.000 1.154 174 A CA 1.777 53.540 52.037 -0.457 0.000 0.679 174 A CB -0.497 18.391 19.000 -0.187 0.000 0.795 174 A HN -0.522 7.376 8.150 -0.354 0.040 0.458 175 H N -0.599 117.856 119.070 -1.025 0.000 2.556 175 H HA -0.129 nan 4.556 nan 0.000 0.273 175 H C 0.218 174.809 175.328 -1.229 0.000 1.030 175 H CA 0.096 55.279 56.048 -1.441 0.000 1.156 175 H CB -0.484 28.284 29.762 -1.657 0.000 1.326 175 H HN -0.036 7.418 8.280 -1.103 0.164 0.609 176 A N -1.208 121.243 122.820 -0.614 0.000 2.208 176 A HA -0.032 nan 4.320 nan 0.000 0.209 176 A C -0.697 176.822 177.584 -0.109 0.000 1.161 176 A CA 0.841 52.711 52.037 -0.278 0.000 0.782 176 A CB 0.827 19.659 19.000 -0.280 0.000 0.816 176 A HN -0.434 7.252 8.150 -0.691 0.049 0.477 177 L N -1.873 119.268 121.223 -0.136 0.000 2.309 177 L HA 0.077 nan 4.340 nan 0.000 0.282 177 L C 0.216 177.265 176.870 0.299 0.000 1.036 177 L CA -0.625 54.254 54.840 0.065 0.000 0.806 177 L CB 0.564 42.633 42.059 0.017 0.000 1.220 177 L HN -0.644 7.221 8.230 -0.327 0.170 0.429 178 G N 2.553 111.503 108.800 0.251 0.000 2.512 178 G HA2 -0.386 nan 3.960 nan 0.000 0.254 178 G HA3 -0.386 nan 3.960 nan 0.000 0.254 178 G C -2.617 172.365 174.900 0.137 0.000 1.199 178 G CA 0.669 45.907 45.100 0.230 0.000 0.941 178 G HN 0.748 9.025 8.290 0.173 0.116 0.569 179 K N -1.892 118.484 120.400 -0.041 0.000 2.735 179 K HA 0.332 nan 4.320 nan 0.000 0.295 179 K C -2.212 173.999 176.600 -0.648 0.000 1.052 179 K CA -1.290 54.626 56.287 -0.618 0.000 0.853 179 K CB 2.629 34.809 32.500 -0.533 0.000 1.535 179 K HN -0.319 8.009 8.250 0.130 0.000 0.383 180 T N -2.822 111.235 114.554 -0.828 0.000 2.909 180 T HA 0.470 nan 4.350 nan 0.000 0.286 180 T C -0.224 174.143 174.700 -0.555 0.000 1.002 180 T CA -1.569 60.225 62.100 -0.509 0.000 1.074 180 T CB 1.199 69.830 68.868 -0.395 0.000 0.984 180 T HN 0.331 7.982 8.240 -0.982 0.000 0.495 181 H N 2.167 121.198 119.070 -0.066 0.000 2.658 181 H HA 0.450 nan 4.556 nan 0.000 0.337 181 H C -0.116 175.202 175.328 -0.017 0.000 1.009 181 H CA -0.930 55.088 56.048 -0.051 0.000 1.231 181 H CB 1.828 31.564 29.762 -0.042 0.000 1.508 181 H HN 0.384 8.688 8.280 0.039 0.000 0.517 182 L N 6.155 127.408 121.223 0.049 0.000 1.990 182 L HA -0.418 nan 4.340 nan 0.000 0.213 182 L C 0.809 177.699 176.870 0.033 0.000 1.072 182 L CA 4.118 58.969 54.840 0.018 0.000 0.755 182 L CB 0.244 42.295 42.059 -0.014 0.000 0.889 182 L HN 0.194 8.744 8.230 0.017 -0.310 0.432 183 K N -2.420 118.006 120.400 0.043 0.000 2.209 183 K HA -0.352 nan 4.320 nan 0.000 0.204 183 K C 1.168 177.794 176.600 0.044 0.000 1.048 183 K CA 2.730 59.037 56.287 0.032 0.000 0.940 183 K CB -0.470 32.044 32.500 0.023 0.000 0.729 183 K HN 0.279 8.558 8.250 0.048 0.000 0.451 184 N N -2.582 116.163 118.700 0.075 0.000 2.182 184 N HA -0.071 nan 4.740 nan 0.000 0.186 184 N C 1.121 176.692 175.510 0.102 0.000 1.036 184 N CA 2.233 55.330 53.050 0.078 0.000 0.850 184 N CB 0.575 39.120 38.487 0.097 0.000 1.010 184 N HN -0.524 7.799 8.380 0.110 0.123 0.432 185 S N -3.564 112.221 115.700 0.142 0.000 2.603 185 S HA 0.127 nan 4.470 nan 0.000 0.232 185 S C 0.791 175.481 174.600 0.150 0.000 1.016 185 S CA -0.152 58.163 58.200 0.193 0.000 0.976 185 S CB 2.399 65.775 63.200 0.293 0.000 0.921 185 S HN -0.362 8.039 8.310 0.151 0.000 0.516 186 G N 1.620 110.432 108.800 0.020 0.000 2.153 186 G HA2 -0.390 nan 3.960 nan 0.000 0.252 186 G HA3 -0.390 nan 3.960 nan 0.000 0.252 186 G C -1.706 172.958 174.900 -0.393 0.000 0.994 186 G CA 1.059 46.056 45.100 -0.172 0.000 0.698 186 G HN 0.144 8.457 8.290 0.038 0.000 0.521 187 Y N -2.536 117.755 120.300 -0.015 0.000 2.536 187 Y HA 0.242 nan 4.550 nan 0.000 0.347 187 Y C -2.251 173.587 175.900 -0.104 0.000 1.000 187 Y CA -1.803 56.267 58.100 -0.050 0.000 1.051 187 Y CB 2.909 41.343 38.460 -0.043 0.000 1.259 187 Y HN -0.893 7.429 8.280 0.172 0.061 0.468 188 E N 0.313 120.522 120.200 0.015 0.000 2.291 188 E HA 0.181 nan 4.350 nan 0.000 0.276 188 E C -1.474 175.040 176.600 -0.144 0.000 0.896 188 E CA -1.038 55.304 56.400 -0.096 0.000 0.774 188 E CB 3.292 32.948 29.700 -0.073 0.000 1.227 188 E HN -0.044 8.612 8.360 0.062 -0.259 0.413 189 G N 3.940 112.589 108.800 -0.252 0.000 2.317 189 G HA2 -0.098 nan 3.960 nan 0.000 0.445 189 G HA3 -0.098 nan 3.960 nan 0.000 0.445 189 G C -3.328 171.320 174.900 -0.420 0.000 1.486 189 G CA -0.522 44.430 45.100 -0.247 0.000 0.991 189 G HN -0.291 7.804 8.290 -0.323 0.000 0.660 190 P HA 0.355 nan 4.420 nan 0.000 0.274 190 P C 0.011 177.110 177.300 -0.335 0.000 1.246 190 P CA -0.984 61.896 63.100 -0.366 0.000 0.795 190 P CB 0.931 32.551 31.700 -0.133 0.000 1.006 191 W N -1.451 119.759 121.300 -0.150 0.000 2.640 191 W HA -0.046 nan 4.660 nan 0.000 0.268 191 W C -0.354 175.968 176.519 -0.328 0.000 1.263 191 W CA 1.501 58.711 57.345 -0.225 0.000 1.344 191 W CB 0.792 30.213 29.460 -0.064 0.000 1.093 191 W HN 0.028 8.043 8.180 -0.275 0.000 0.603 192 G N -6.506 102.128 108.800 -0.278 0.000 2.494 192 G HA2 0.071 nan 3.960 nan 0.000 0.308 192 G HA3 0.071 nan 3.960 nan 0.000 0.308 192 G C -1.605 172.952 174.900 -0.571 0.000 1.263 192 G CA -0.316 44.226 45.100 -0.930 0.000 0.840 192 G HN -0.854 7.372 8.290 -0.107 0.000 0.479 193 A N -0.353 122.234 122.820 -0.389 0.000 1.878 193 A HA 0.059 nan 4.320 nan 0.000 0.213 193 A C 0.792 178.367 177.584 -0.014 0.000 1.192 193 A CA 1.796 53.804 52.037 -0.047 0.000 0.619 193 A CB 0.976 20.011 19.000 0.058 0.000 0.837 193 A HN 0.107 8.234 8.150 -0.485 -0.268 0.446 194 A N -0.707 122.101 122.820 -0.021 0.000 3.094 194 A HA 0.251 nan 4.320 nan 0.000 0.288 194 A C -1.114 176.480 177.584 0.017 0.000 1.519 194 A CA -1.275 50.770 52.037 0.012 0.000 1.227 194 A CB -1.592 17.419 19.000 0.019 0.000 1.175 194 A HN -0.357 8.066 8.150 -0.050 -0.303 0.568 195 N N -0.052 118.667 118.700 0.031 0.000 2.421 195 N HA -0.141 nan 4.740 nan 0.000 0.201 195 N C -1.179 174.374 175.510 0.071 0.000 1.198 195 N CA 0.648 53.735 53.050 0.061 0.000 0.838 195 N CB -0.027 38.507 38.487 0.078 0.000 1.011 195 N HN -0.098 8.244 8.380 0.026 0.054 0.463 196 N N -4.171 114.569 118.700 0.066 0.000 2.286 196 N HA 0.095 nan 4.740 nan 0.000 0.245 196 N C -1.658 173.901 175.510 0.082 0.000 1.363 196 N CA -0.768 52.328 53.050 0.076 0.000 0.822 196 N CB -0.421 38.114 38.487 0.080 0.000 1.345 196 N HN 0.070 8.423 8.380 0.059 0.063 0.494 197 V N -0.275 119.686 119.914 0.079 0.000 2.656 197 V HA 0.360 nan 4.120 nan 0.000 0.307 197 V C -1.863 174.300 176.094 0.115 0.000 1.051 197 V CA -0.669 61.695 62.300 0.106 0.000 0.893 197 V CB 2.290 34.172 31.823 0.097 0.000 0.999 197 V HN -0.827 7.398 8.190 0.059 0.000 0.426 198 F N 8.336 128.294 119.950 0.013 0.000 2.438 198 F HA 0.144 nan 4.527 nan 0.000 0.360 198 F C -0.900 175.017 175.800 0.194 0.000 1.118 198 F CA 0.449 58.441 58.000 -0.013 0.000 1.164 198 F CB 0.481 39.358 39.000 -0.205 0.000 1.131 198 F HN 0.603 9.064 8.300 0.268 0.000 0.527 199 T N 2.554 117.089 114.554 -0.031 0.000 2.778 199 T HA 0.250 nan 4.350 nan 0.000 0.293 199 T C -1.178 173.578 174.700 0.095 0.000 1.144 199 T CA -2.211 59.994 62.100 0.174 0.000 1.010 199 T CB 2.865 71.782 68.868 0.083 0.000 1.325 199 T HN -0.298 7.773 8.240 -0.280 0.000 0.515 200 N N -2.452 116.315 118.700 0.112 0.000 2.413 200 N HA -0.053 nan 4.740 nan 0.000 0.207 200 N C 0.821 176.313 175.510 -0.031 0.000 1.206 200 N CA -0.055 52.982 53.050 -0.022 0.000 0.832 200 N CB -1.602 36.929 38.487 0.073 0.000 1.037 200 N HN 0.314 8.767 8.380 0.122 0.000 0.467 201 E N 1.225 121.380 120.200 -0.075 0.000 2.118 201 E HA -0.383 nan 4.350 nan 0.000 0.195 201 E C 0.859 177.411 176.600 -0.080 0.000 0.992 201 E CA 2.995 59.362 56.400 -0.055 0.000 0.804 201 E CB -0.345 29.320 29.700 -0.059 0.000 0.741 201 E HN -0.748 7.441 8.360 -0.093 0.115 0.458 202 F N 0.078 119.784 119.950 -0.406 0.000 2.120 202 F HA -0.432 nan 4.527 nan 0.000 0.300 202 F C 1.697 177.182 175.800 -0.525 0.000 1.095 202 F CA 3.459 61.142 58.000 -0.528 0.000 1.249 202 F CB -0.113 38.354 39.000 -0.888 0.000 0.995 202 F HN -0.175 7.994 8.300 -0.200 0.011 0.480 203 Y N -3.012 117.171 120.300 -0.196 0.000 2.184 203 Y HA -0.369 nan 4.550 nan 0.000 0.290 203 Y C 2.120 177.911 175.900 -0.181 0.000 1.129 203 Y CA 3.728 61.675 58.100 -0.256 0.000 1.144 203 Y CB -0.572 37.809 38.460 -0.133 0.000 0.995 203 Y HN -0.553 7.429 8.280 -0.465 0.019 0.513 204 L N -1.023 120.226 121.223 0.043 0.000 2.012 204 L HA -0.579 nan 4.340 nan 0.000 0.210 204 L C 2.179 179.087 176.870 0.063 0.000 1.073 204 L CA 3.222 58.088 54.840 0.044 0.000 0.748 204 L CB -0.585 41.502 42.059 0.046 0.000 0.891 204 L HN -0.636 7.634 8.230 0.067 0.000 0.431 205 N N -1.127 117.623 118.700 0.083 0.000 2.166 205 N HA -0.272 nan 4.740 nan 0.000 0.186 205 N C 2.521 178.282 175.510 0.418 0.000 1.019 205 N CA 2.985 56.195 53.050 0.267 0.000 0.856 205 N CB -0.521 38.194 38.487 0.379 0.000 0.993 205 N HN -0.015 8.383 8.380 0.029 0.000 0.426 206 L N -0.707 120.542 121.223 0.043 0.000 2.083 206 L HA -0.242 nan 4.340 nan 0.000 0.209 206 L C 0.918 177.807 176.870 0.032 0.000 1.083 206 L CA 2.887 57.645 54.840 -0.138 0.000 0.752 206 L CB -0.118 41.551 42.059 -0.650 0.000 0.899 206 L HN -0.502 7.615 8.230 -0.187 0.000 0.433 207 L N -4.092 117.141 121.223 0.016 0.000 2.341 207 L HA -0.204 nan 4.340 nan 0.000 0.214 207 L C 1.426 178.349 176.870 0.088 0.000 1.115 207 L CA 1.513 56.372 54.840 0.031 0.000 0.820 207 L CB 0.277 42.335 42.059 -0.002 0.000 0.944 207 L HN -0.292 7.926 8.230 -0.020 0.000 0.452 208 N N -4.230 114.542 118.700 0.120 0.000 2.197 208 N HA 0.053 nan 4.740 nan 0.000 0.201 208 N C -0.442 175.092 175.510 0.040 0.000 1.148 208 N CA 0.017 53.112 53.050 0.076 0.000 0.883 208 N CB 1.494 40.015 38.487 0.057 0.000 1.012 208 N HN -0.154 8.219 8.380 0.150 0.097 0.507 209 E N -0.017 120.208 120.200 0.042 0.000 2.283 209 E HA 0.081 nan 4.350 nan 0.000 0.271 209 E C -1.146 175.252 176.600 -0.338 0.000 1.031 209 E CA -0.631 55.604 56.400 -0.274 0.000 0.868 209 E CB 1.284 30.571 29.700 -0.689 0.000 1.094 209 E HN -0.817 7.681 8.360 0.229 0.000 0.401 210 D N 3.091 123.289 120.400 -0.337 0.000 2.422 210 D HA 0.055 nan 4.640 nan 0.000 0.227 210 D C -1.115 175.073 176.300 -0.188 0.000 1.190 210 D CA -0.929 52.981 54.000 -0.149 0.000 0.905 210 D CB -0.298 40.441 40.800 -0.103 0.000 1.034 210 D HN 0.191 8.355 8.370 -0.344 0.000 0.507 211 W N 2.744 124.160 121.300 0.194 0.000 2.351 211 W HA 0.204 nan 4.660 nan 0.000 0.311 211 W C -0.781 175.926 176.519 0.314 0.000 1.168 211 W CA -1.241 56.278 57.345 0.289 0.000 1.200 211 W CB 1.324 31.041 29.460 0.427 0.000 1.221 211 W HN -0.463 7.912 8.180 0.324 0.000 0.519 212 K N 3.434 124.077 120.400 0.405 0.000 2.244 212 K HA 0.332 nan 4.320 nan 0.000 0.260 212 K C -1.627 174.905 176.600 -0.114 0.000 0.951 212 K CA -1.712 54.666 56.287 0.151 0.000 0.826 212 K CB 3.070 35.597 32.500 0.044 0.000 1.108 212 K HN 0.814 9.181 8.250 0.378 0.110 0.433 213 L N 5.414 126.299 121.223 -0.563 0.000 2.319 213 L HA 0.272 nan 4.340 nan 0.000 0.280 213 L C -0.873 175.717 176.870 -0.466 0.000 1.099 213 L CA 0.300 54.546 54.840 -0.989 0.000 0.828 213 L CB 0.648 41.926 42.059 -1.301 0.000 1.150 213 L HN 0.336 8.312 8.230 -0.423 0.000 0.442 214 E N 6.069 126.056 120.200 -0.354 0.000 2.408 214 E HA 0.348 nan 4.350 nan 0.000 0.275 214 E C -2.072 174.431 176.600 -0.161 0.000 0.935 214 E CA -1.921 54.359 56.400 -0.200 0.000 0.775 214 E CB 3.983 33.610 29.700 -0.122 0.000 1.277 214 E HN 0.790 8.911 8.360 -0.400 0.000 0.455 215 K N 0.733 121.061 120.400 -0.121 0.000 2.185 215 K HA 0.258 nan 4.320 nan 0.000 0.271 215 K C -0.581 175.967 176.600 -0.085 0.000 1.013 215 K CA 0.239 56.465 56.287 -0.101 0.000 0.943 215 K CB 0.781 33.228 32.500 -0.089 0.000 0.998 215 K HN 0.146 8.328 8.250 -0.113 0.000 0.468 216 N N 3.931 122.576 118.700 -0.091 0.000 2.604 216 N HA 0.202 nan 4.740 nan 0.000 0.297 216 N C 0.677 176.136 175.510 -0.086 0.000 1.266 216 N CA -1.145 51.855 53.050 -0.082 0.000 0.961 216 N CB 0.675 39.111 38.487 -0.085 0.000 1.166 216 N HN 0.229 8.544 8.380 -0.108 0.000 0.601 217 D N -1.674 118.680 120.400 -0.076 0.000 2.309 217 D HA -0.199 nan 4.640 nan 0.000 0.212 217 D C 0.119 176.372 176.300 -0.079 0.000 0.968 217 D CA 2.932 56.891 54.000 -0.068 0.000 0.882 217 D CB -0.636 40.131 40.800 -0.055 0.000 0.918 217 D HN 0.534 8.862 8.370 -0.069 0.000 0.503 218 A N -2.145 120.609 122.820 -0.109 0.000 2.251 218 A HA -0.017 nan 4.320 nan 0.000 0.209 218 A C -0.402 177.106 177.584 -0.126 0.000 1.187 218 A CA -0.063 51.901 52.037 -0.122 0.000 0.823 218 A CB 0.282 19.179 19.000 -0.171 0.000 0.846 218 A HN -0.276 8.009 8.150 -0.127 -0.211 0.486 219 N N -5.397 113.233 118.700 -0.115 0.000 2.829 219 N HA -0.478 nan 4.740 nan 0.000 0.250 219 N C -1.520 173.916 175.510 -0.124 0.000 1.090 219 N CA 1.140 54.130 53.050 -0.101 0.000 0.781 219 N CB -1.430 37.012 38.487 -0.076 0.000 1.124 219 N HN 0.075 8.246 8.380 -0.108 0.145 0.559 220 N N -0.457 118.130 118.700 -0.187 0.000 2.466 220 N HA 0.218 nan 4.740 nan 0.000 0.294 220 N C -1.499 173.936 175.510 -0.124 0.000 1.129 220 N CA -0.443 52.481 53.050 -0.211 0.000 0.931 220 N CB 2.232 40.396 38.487 -0.539 0.000 1.193 220 N HN -0.609 7.853 8.380 -0.213 -0.210 0.500 221 E N 0.442 120.623 120.200 -0.030 0.000 2.301 221 E HA 0.200 nan 4.350 nan 0.000 0.275 221 E C -0.889 175.776 176.600 0.109 0.000 1.030 221 E CA 0.081 56.467 56.400 -0.024 0.000 0.852 221 E CB 1.086 30.744 29.700 -0.071 0.000 1.060 221 E HN 0.323 8.682 8.360 -0.001 0.000 0.401 222 Q N -1.069 118.732 119.800 0.003 0.000 2.462 222 Q HA 0.519 nan 4.340 nan 0.000 0.285 222 Q C -1.470 174.475 176.000 -0.092 0.000 1.035 222 Q CA -2.295 53.569 55.803 0.102 0.000 0.799 222 Q CB 3.056 31.939 28.738 0.242 0.000 1.452 222 Q HN 0.662 8.873 8.270 -0.098 0.000 0.404 223 W N 0.439 121.782 121.300 0.073 0.000 2.367 223 W HA 0.132 nan 4.660 nan 0.000 0.329 223 W C -0.792 175.952 176.519 0.374 0.000 1.066 223 W CA -0.243 57.170 57.345 0.114 0.000 1.435 223 W CB 0.243 29.660 29.460 -0.072 0.000 1.296 223 W HN 0.481 8.937 8.180 0.460 0.000 0.401 224 D N 6.267 126.926 120.400 0.431 0.000 2.198 224 D HA 0.631 nan 4.640 nan 0.000 0.245 224 D C -0.477 175.968 176.300 0.242 0.000 1.079 224 D CA -0.707 53.495 54.000 0.337 0.000 0.854 224 D CB 2.068 42.937 40.800 0.114 0.000 1.148 224 D HN 0.525 9.033 8.370 0.230 0.000 0.456 225 S N 3.126 118.814 115.700 -0.021 0.000 2.690 225 S HA 0.586 nan 4.470 nan 0.000 0.291 225 S C 1.194 175.616 174.600 -0.297 0.000 1.138 225 S CA -1.390 56.573 58.200 -0.394 0.000 1.013 225 S CB 2.568 65.180 63.200 -0.980 0.000 1.053 225 S HN 0.544 8.892 8.310 0.063 0.000 0.539 226 K N 2.080 122.300 120.400 -0.300 0.000 2.147 226 K HA -0.203 nan 4.320 nan 0.000 0.205 226 K C 1.349 177.771 176.600 -0.296 0.000 1.049 226 K CA 2.452 58.597 56.287 -0.236 0.000 0.936 226 K CB -0.338 32.045 32.500 -0.194 0.000 0.722 226 K HN 0.364 8.422 8.250 -0.320 0.000 0.446 227 S N -2.485 112.940 115.700 -0.458 0.000 2.603 227 S HA -0.084 nan 4.470 nan 0.000 0.229 227 S C 0.611 174.823 174.600 -0.648 0.000 0.972 227 S CA 0.653 58.483 58.200 -0.617 0.000 0.935 227 S CB 0.153 62.736 63.200 -1.028 0.000 0.769 227 S HN -0.372 7.613 8.310 -0.508 0.020 0.536 228 G N -0.444 108.095 108.800 -0.434 0.000 2.157 228 G HA2 -0.399 nan 3.960 nan 0.000 0.248 228 G HA3 -0.399 nan 3.960 nan 0.000 0.248 228 G C -0.865 173.986 174.900 -0.081 0.000 0.979 228 G CA 0.213 45.175 45.100 -0.229 0.000 0.650 228 G HN -0.339 7.550 8.290 -0.367 0.181 0.529 229 Y N -1.210 119.058 120.300 -0.053 0.000 2.403 229 Y HA 0.313 nan 4.550 nan 0.000 0.323 229 Y C -1.305 174.690 175.900 0.158 0.000 1.226 229 Y CA -3.037 55.075 58.100 0.019 0.000 1.235 229 Y CB 0.966 39.475 38.460 0.083 0.000 1.248 229 Y HN -0.860 7.039 8.280 -0.534 0.060 0.489 230 M N -1.231 118.539 119.600 0.283 0.000 2.644 230 M HA 0.720 nan 4.480 nan 0.000 0.304 230 M C -1.607 174.645 176.300 -0.080 0.000 1.215 230 M CA -1.570 53.876 55.300 0.243 0.000 0.871 230 M CB 3.605 36.238 32.600 0.055 0.000 1.740 230 M HN 0.643 9.012 8.290 0.132 0.000 0.464 231 H N -1.987 117.232 119.070 0.248 0.000 2.961 231 H HA 0.543 nan 4.556 nan 0.000 0.371 231 H C -1.584 173.864 175.328 0.201 0.000 1.190 231 H CA -0.837 55.312 56.048 0.168 0.000 1.138 231 H CB 4.570 34.211 29.762 -0.201 0.000 1.816 231 H HN 0.549 9.010 8.280 0.303 0.000 0.551 232 L N 0.410 121.848 121.223 0.358 0.000 2.453 232 L HA 0.246 nan 4.340 nan 0.000 0.261 232 L C -0.939 176.089 176.870 0.263 0.000 1.179 232 L CA -1.947 52.996 54.840 0.171 0.000 0.813 232 L CB -0.884 41.198 42.059 0.039 0.000 1.110 232 L HN -0.158 8.654 8.230 0.511 -0.276 0.466 233 P HA -0.304 nan 4.420 nan 0.000 0.216 233 P C 1.208 178.624 177.300 0.193 0.000 1.157 233 P CA 3.210 66.497 63.100 0.311 0.000 0.880 233 P CB -0.018 31.842 31.700 0.267 0.000 0.791 234 T N -6.225 108.414 114.554 0.142 0.000 2.833 234 T HA -0.314 nan 4.350 nan 0.000 0.269 234 T C 1.826 176.578 174.700 0.087 0.000 1.054 234 T CA 3.934 66.112 62.100 0.130 0.000 1.135 234 T CB -0.876 68.076 68.868 0.140 0.000 0.869 234 T HN -0.019 8.292 8.240 0.120 0.000 0.466 235 D N 2.061 122.516 120.400 0.092 0.000 2.123 235 D HA -0.179 nan 4.640 nan 0.000 0.200 235 D C 2.064 178.248 176.300 -0.193 0.000 0.976 235 D CA 2.998 57.004 54.000 0.010 0.000 0.831 235 D CB -0.463 40.364 40.800 0.044 0.000 0.974 235 D HN -0.662 7.699 8.370 0.140 0.093 0.469 236 Y N 2.036 122.144 120.300 -0.320 0.000 2.207 236 Y HA -0.469 nan 4.550 nan 0.000 0.287 236 Y C 1.842 177.547 175.900 -0.326 0.000 1.156 236 Y CA 3.551 61.332 58.100 -0.531 0.000 1.182 236 Y CB 0.095 38.037 38.460 -0.865 0.000 0.979 236 Y HN -0.073 8.220 8.280 0.021 0.000 0.521 237 S N 0.166 115.816 115.700 -0.082 0.000 2.409 237 S HA -0.453 nan 4.470 nan 0.000 0.237 237 S C 1.360 175.943 174.600 -0.027 0.000 1.060 237 S CA 4.409 62.607 58.200 -0.003 0.000 1.052 237 S CB -0.573 62.697 63.200 0.118 0.000 0.871 237 S HN 0.255 8.584 8.310 0.033 0.000 0.465 238 L N -3.169 117.978 121.223 -0.127 0.000 2.456 238 L HA -0.226 nan 4.340 nan 0.000 0.224 238 L C 0.361 177.153 176.870 -0.130 0.000 1.148 238 L CA 1.880 56.660 54.840 -0.100 0.000 0.825 238 L CB -0.304 41.634 42.059 -0.201 0.000 0.937 238 L HN -0.645 7.332 8.230 -0.186 0.141 0.450 239 I N -9.225 111.160 120.570 -0.308 0.000 4.070 239 I HA 0.078 nan 4.170 nan 0.000 0.328 239 I C 1.039 177.013 176.117 -0.237 0.000 1.298 239 I CA 0.524 61.643 61.300 -0.302 0.000 1.173 239 I CB 0.709 38.432 38.000 -0.462 0.000 1.051 239 I HN -0.109 7.690 8.210 -0.454 0.139 0.409 240 Q N 0.217 119.890 119.800 -0.212 0.000 2.311 240 Q HA -0.134 nan 4.340 nan 0.000 0.203 240 Q C 0.270 176.254 176.000 -0.027 0.000 0.954 240 Q CA 1.502 57.251 55.803 -0.090 0.000 0.885 240 Q CB 0.564 29.285 28.738 -0.028 0.000 0.963 240 Q HN -0.548 7.458 8.270 -0.259 0.108 0.471 241 D N -0.225 120.176 120.400 0.002 0.000 2.249 241 D HA 0.349 nan 4.640 nan 0.000 0.246 241 D C -1.111 175.168 176.300 -0.036 0.000 1.114 241 D CA -2.923 51.068 54.000 -0.015 0.000 0.854 241 D CB 2.467 43.252 40.800 -0.027 0.000 1.132 241 D HN -0.608 7.745 8.370 0.021 0.030 0.461 242 P HA -0.083 nan 4.420 nan 0.000 0.219 242 P C 1.415 178.680 177.300 -0.058 0.000 1.150 242 P CA 1.963 65.032 63.100 -0.052 0.000 0.814 242 P CB 0.623 32.294 31.700 -0.048 0.000 0.787 243 K N -0.845 119.497 120.400 -0.098 0.000 2.025 243 K HA -0.234 nan 4.320 nan 0.000 0.207 243 K C 2.816 179.408 176.600 -0.014 0.000 1.049 243 K CA 3.088 59.318 56.287 -0.095 0.000 0.933 243 K CB -0.256 32.142 32.500 -0.170 0.000 0.714 243 K HN -0.601 7.671 8.250 -0.130 -0.100 0.438 244 Y N -1.256 119.010 120.300 -0.057 0.000 2.128 244 Y HA -0.308 nan 4.550 nan 0.000 0.284 244 Y C 2.363 178.204 175.900 -0.097 0.000 1.154 244 Y CA 1.011 59.071 58.100 -0.067 0.000 1.149 244 Y CB -0.507 37.922 38.460 -0.052 0.000 0.976 244 Y HN -0.294 8.255 8.280 -0.134 -0.349 0.505 245 L N -1.264 119.995 121.223 0.060 0.000 2.079 245 L HA -0.429 nan 4.340 nan 0.000 0.210 245 L C 1.624 178.454 176.870 -0.065 0.000 1.081 245 L CA 3.155 57.975 54.840 -0.033 0.000 0.752 245 L CB -0.434 41.592 42.059 -0.055 0.000 0.896 245 L HN 0.154 8.428 8.230 0.072 0.000 0.433 246 S N -0.839 114.822 115.700 -0.065 0.000 2.423 246 S HA -0.294 nan 4.470 nan 0.000 0.231 246 S C 2.513 177.017 174.600 -0.161 0.000 1.014 246 S CA 3.509 61.651 58.200 -0.096 0.000 0.965 246 S CB -0.664 62.487 63.200 -0.081 0.000 0.785 246 S HN -0.432 7.851 8.310 -0.045 0.000 0.495 247 I N 2.239 122.699 120.570 -0.183 0.000 2.277 247 I HA -0.350 nan 4.170 nan 0.000 0.243 247 I C 1.315 177.133 176.117 -0.498 0.000 1.094 247 I CA 3.291 64.366 61.300 -0.376 0.000 1.393 247 I CB -0.179 37.654 38.000 -0.278 0.000 1.078 247 I HN -0.586 7.539 8.210 -0.104 0.022 0.417 248 V N 0.910 120.671 119.914 -0.256 0.000 2.250 248 V HA -0.638 nan 4.120 nan 0.000 0.253 248 V C 1.944 177.917 176.094 -0.202 0.000 1.065 248 V CA 5.032 67.236 62.300 -0.159 0.000 1.039 248 V CB -1.271 30.532 31.823 -0.032 0.000 0.647 248 V HN -0.105 7.998 8.190 -0.145 0.000 0.446 249 K N -2.597 117.704 120.400 -0.165 0.000 2.103 249 K HA -0.428 nan 4.320 nan 0.000 0.207 249 K C 2.312 178.822 176.600 -0.151 0.000 1.048 249 K CA 3.819 60.030 56.287 -0.126 0.000 0.930 249 K CB -0.374 32.066 32.500 -0.100 0.000 0.716 249 K HN -0.289 7.871 8.250 -0.149 0.000 0.444 250 E N -0.511 119.539 120.200 -0.249 0.000 2.072 250 E HA -0.258 nan 4.350 nan 0.000 0.191 250 E C 2.715 179.225 176.600 -0.151 0.000 0.985 250 E CA 3.038 59.294 56.400 -0.240 0.000 0.801 250 E CB -0.212 29.263 29.700 -0.375 0.000 0.750 250 E HN -0.702 7.357 8.360 -0.305 0.118 0.452 251 Y N -2.249 117.878 120.300 -0.289 0.000 2.286 251 Y HA -0.192 nan 4.550 nan 0.000 0.293 251 Y C 1.763 177.497 175.900 -0.277 0.000 1.124 251 Y CA 0.555 58.414 58.100 -0.403 0.000 1.178 251 Y CB -0.527 37.287 38.460 -1.076 0.000 1.010 251 Y HN -0.334 7.611 8.280 -0.559 0.000 0.536 252 A N -1.210 121.574 122.820 -0.060 0.000 1.908 252 A HA -0.229 nan 4.320 nan 0.000 0.218 252 A C 1.146 178.739 177.584 0.014 0.000 1.181 252 A CA 2.358 54.413 52.037 0.029 0.000 0.627 252 A CB -0.168 18.847 19.000 0.025 0.000 0.818 252 A HN 0.017 8.079 8.150 -0.146 0.000 0.445 253 N N -4.382 114.314 118.700 -0.006 0.000 2.424 253 N HA -0.070 nan 4.740 nan 0.000 0.178 253 N C -0.516 175.001 175.510 0.012 0.000 1.060 253 N CA 1.161 54.211 53.050 -0.000 0.000 0.901 253 N CB 1.139 39.618 38.487 -0.014 0.000 0.979 253 N HN -0.476 7.886 8.380 -0.030 0.000 0.451 254 D N -0.282 120.140 120.400 0.037 0.000 2.330 254 D HA 0.274 nan 4.640 nan 0.000 0.249 254 D C -0.980 175.367 176.300 0.077 0.000 1.306 254 D CA -0.661 53.367 54.000 0.047 0.000 0.956 254 D CB 1.025 41.861 40.800 0.061 0.000 1.261 254 D HN -0.589 7.703 8.370 0.049 0.107 0.544 255 Q N 4.837 124.641 119.800 0.006 0.000 2.170 255 Q HA -0.360 nan 4.340 nan 0.000 0.203 255 Q C 1.103 176.991 176.000 -0.186 0.000 0.976 255 Q CA 3.485 59.261 55.803 -0.044 0.000 0.858 255 Q CB 0.236 28.863 28.738 -0.186 0.000 0.907 255 Q HN 0.503 8.763 8.270 -0.016 0.000 0.433 256 D N -1.208 119.096 120.400 -0.161 0.000 2.117 256 D HA -0.257 nan 4.640 nan 0.000 0.197 256 D C 1.921 178.242 176.300 0.035 0.000 0.987 256 D CA 3.331 57.270 54.000 -0.101 0.000 0.829 256 D CB -0.601 40.169 40.800 -0.049 0.000 0.961 256 D HN -0.218 8.150 8.370 -0.121 -0.070 0.460 257 K N 0.272 120.721 120.400 0.082 0.000 2.032 257 K HA -0.246 nan 4.320 nan 0.000 0.209 257 K C 1.941 178.628 176.600 0.145 0.000 1.048 257 K CA 2.273 58.650 56.287 0.151 0.000 0.927 257 K CB -0.345 32.283 32.500 0.214 0.000 0.712 257 K HN -0.831 7.697 8.250 0.068 -0.238 0.441 258 F N 0.998 120.894 119.950 -0.090 0.000 2.069 258 F HA -0.384 nan 4.527 nan 0.000 0.298 258 F C 1.758 177.585 175.800 0.045 0.000 1.113 258 F CA 2.708 60.433 58.000 -0.458 0.000 1.214 258 F CB -0.245 38.523 39.000 -0.386 0.000 0.978 258 F HN -0.412 8.030 8.300 0.236 0.000 0.474 259 F N -1.349 118.346 119.950 -0.426 0.000 2.091 259 F HA -0.515 nan 4.527 nan 0.000 0.299 259 F C 2.318 178.007 175.800 -0.185 0.000 1.103 259 F CA 2.424 60.213 58.000 -0.352 0.000 1.228 259 F CB -1.136 37.788 39.000 -0.127 0.000 0.984 259 F HN 0.253 8.659 8.300 0.178 0.000 0.477 260 K N -0.881 119.576 120.400 0.095 0.000 2.009 260 K HA -0.387 nan 4.320 nan 0.000 0.210 260 K C 2.243 178.857 176.600 0.024 0.000 1.049 260 K CA 3.720 60.040 56.287 0.054 0.000 0.929 260 K CB -0.450 32.090 32.500 0.067 0.000 0.714 260 K HN -0.120 8.209 8.250 0.132 0.000 0.440 261 D N -0.538 119.875 120.400 0.022 0.000 2.144 261 D HA -0.192 nan 4.640 nan 0.000 0.200 261 D C 2.400 178.696 176.300 -0.006 0.000 0.978 261 D CA 2.968 56.990 54.000 0.037 0.000 0.833 261 D CB -0.308 40.573 40.800 0.135 0.000 0.961 261 D HN -0.308 8.077 8.370 0.025 0.000 0.470 262 F N 1.078 120.896 119.950 -0.220 0.000 2.134 262 F HA -0.365 nan 4.527 nan 0.000 0.299 262 F C 1.420 177.158 175.800 -0.103 0.000 1.097 262 F CA 3.408 61.283 58.000 -0.208 0.000 1.264 262 F CB 0.440 39.165 39.000 -0.459 0.000 1.001 262 F HN 0.167 8.397 8.300 -0.116 0.000 0.479 263 S N -0.607 115.086 115.700 -0.013 0.000 2.353 263 S HA -0.448 nan 4.470 nan 0.000 0.222 263 S C 2.015 176.584 174.600 -0.050 0.000 1.035 263 S CA 4.067 62.257 58.200 -0.016 0.000 1.025 263 S CB -0.191 63.006 63.200 -0.005 0.000 0.902 263 S HN -0.189 8.135 8.310 0.023 0.000 0.440 264 K N 0.613 120.985 120.400 -0.046 0.000 2.032 264 K HA -0.376 nan 4.320 nan 0.000 0.209 264 K C 2.212 178.771 176.600 -0.068 0.000 1.048 264 K CA 3.286 59.545 56.287 -0.046 0.000 0.927 264 K CB -0.031 32.456 32.500 -0.022 0.000 0.712 264 K HN -0.550 7.682 8.250 -0.029 0.000 0.441 265 A N -1.446 121.316 122.820 -0.097 0.000 1.968 265 A HA -0.129 nan 4.320 nan 0.000 0.217 265 A C 2.175 179.694 177.584 -0.109 0.000 1.169 265 A CA 2.764 54.741 52.037 -0.099 0.000 0.638 265 A CB -0.683 18.252 19.000 -0.110 0.000 0.812 265 A HN -0.162 7.926 8.150 -0.102 0.000 0.446 266 F N -0.044 119.644 119.950 -0.436 0.000 2.163 266 F HA -0.280 nan 4.527 nan 0.000 0.297 266 F C 1.267 176.979 175.800 -0.147 0.000 1.094 266 F CA 2.082 59.845 58.000 -0.395 0.000 1.290 266 F CB 0.507 39.072 39.000 -0.726 0.000 1.017 266 F HN 0.266 8.403 8.300 -0.271 0.000 0.483 267 E N 0.204 120.319 120.200 -0.141 0.000 2.058 267 E HA -0.541 nan 4.350 nan 0.000 0.194 267 E C 1.814 178.321 176.600 -0.155 0.000 0.997 267 E CA 3.583 59.888 56.400 -0.157 0.000 0.801 267 E CB -0.207 29.438 29.700 -0.092 0.000 0.746 267 E HN -0.314 8.015 8.360 -0.052 0.000 0.450 268 K N -0.841 119.492 120.400 -0.112 0.000 2.063 268 K HA -0.340 nan 4.320 nan 0.000 0.208 268 K C 2.400 178.940 176.600 -0.100 0.000 1.048 268 K CA 3.055 59.286 56.287 -0.092 0.000 0.928 268 K CB -0.090 32.381 32.500 -0.049 0.000 0.713 268 K HN -0.496 7.698 8.250 -0.094 0.000 0.442 269 L N -1.456 119.726 121.223 -0.070 0.000 2.042 269 L HA -0.287 nan 4.340 nan 0.000 0.210 269 L C 2.071 178.887 176.870 -0.090 0.000 1.076 269 L CA 2.947 57.781 54.840 -0.009 0.000 0.749 269 L CB -0.076 42.045 42.059 0.103 0.000 0.893 269 L HN -0.395 7.795 8.230 -0.067 0.000 0.432 270 L N -3.611 117.499 121.223 -0.189 0.000 2.217 270 L HA -0.268 nan 4.340 nan 0.000 0.211 270 L C 1.798 178.599 176.870 -0.116 0.000 1.107 270 L CA 2.386 57.128 54.840 -0.163 0.000 0.783 270 L CB 0.031 41.954 42.059 -0.227 0.000 0.919 270 L HN -0.246 7.827 8.230 -0.262 0.000 0.442 271 E N -3.194 116.928 120.200 -0.131 0.000 2.479 271 E HA -0.060 nan 4.350 nan 0.000 0.193 271 E C -0.146 176.331 176.600 -0.205 0.000 1.049 271 E CA 0.129 56.486 56.400 -0.072 0.000 0.870 271 E CB 0.272 29.966 29.700 -0.011 0.000 0.944 271 E HN -0.096 8.174 8.360 -0.150 0.000 0.492 272 N N 0.354 118.813 118.700 -0.401 0.000 2.412 272 N HA -0.203 nan 4.740 nan 0.000 0.254 272 N C 0.159 175.001 175.510 -1.112 0.000 1.232 272 N CA 1.628 54.142 53.050 -0.894 0.000 0.880 272 N CB -0.050 37.654 38.487 -1.304 0.000 1.076 272 N HN -0.711 7.481 8.380 -0.313 0.000 0.458 273 G N -0.502 107.692 108.800 -1.009 0.000 2.176 273 G HA2 -0.365 nan 3.960 nan 0.000 0.253 273 G HA3 -0.365 nan 3.960 nan 0.000 0.253 273 G C -1.279 173.521 174.900 -0.167 0.000 0.979 273 G CA 0.694 45.570 45.100 -0.374 0.000 0.641 273 G HN 0.374 8.132 8.290 -0.886 0.000 0.530 274 I N 0.281 120.684 120.570 -0.277 0.000 2.406 274 I HA 0.288 nan 4.170 nan 0.000 0.290 274 I C -1.168 174.653 176.117 -0.492 0.000 0.999 274 I CA -1.494 59.569 61.300 -0.396 0.000 1.124 274 I CB 1.256 38.998 38.000 -0.430 0.000 1.289 274 I HN -0.655 7.318 8.210 -0.305 0.054 0.441 275 T N 8.660 122.927 114.554 -0.480 0.000 2.771 275 T HA 0.341 nan 4.350 nan 0.000 0.291 275 T C -1.204 173.196 174.700 -0.499 0.000 0.954 275 T CA -0.413 61.473 62.100 -0.356 0.000 1.045 275 T CB 0.549 69.297 68.868 -0.200 0.000 0.917 275 T HN 0.802 8.780 8.240 -0.436 0.000 0.484 276 F N 5.757 125.664 119.950 -0.071 0.000 2.388 276 F HA 0.444 nan 4.527 nan 0.000 0.358 276 F C -1.699 174.064 175.800 -0.062 0.000 1.122 276 F CA -3.506 54.448 58.000 -0.077 0.000 1.056 276 F CB 0.190 39.121 39.000 -0.116 0.000 1.155 276 F HN 0.331 8.656 8.300 0.041 0.000 0.461 277 P HA 0.107 nan 4.420 nan 0.000 0.271 277 P C -0.171 177.154 177.300 0.043 0.000 1.218 277 P CA -0.840 62.285 63.100 0.042 0.000 0.780 277 P CB 0.935 32.652 31.700 0.028 0.000 0.901 278 K N 1.577 121.989 120.400 0.020 0.000 2.569 278 K HA -0.085 nan 4.320 nan 0.000 0.193 278 K C -0.494 176.105 176.600 -0.001 0.000 1.026 278 K CA 1.452 57.741 56.287 0.004 0.000 1.093 278 K CB -0.254 32.242 32.500 -0.006 0.000 0.849 278 K HN 0.391 8.649 8.250 0.014 0.000 0.509 279 D N -3.085 117.321 120.400 0.009 0.000 2.323 279 D HA -0.100 nan 4.640 nan 0.000 0.209 279 D C -0.484 175.821 176.300 0.010 0.000 0.973 279 D CA -0.200 53.806 54.000 0.009 0.000 0.874 279 D CB -0.296 40.514 40.800 0.016 0.000 0.930 279 D HN -0.286 8.037 8.370 0.015 0.056 0.521 280 A N 1.661 124.490 122.820 0.015 0.000 2.561 280 A HA -0.080 nan 4.320 nan 0.000 0.234 280 A C -1.301 176.247 177.584 -0.061 0.000 1.055 280 A CA -1.280 50.760 52.037 0.005 0.000 0.756 280 A CB -0.279 18.754 19.000 0.055 0.000 0.986 280 A HN -0.498 7.512 8.150 0.025 0.155 0.505 281 P HA -0.023 nan 4.420 nan 0.000 0.269 281 P C -1.124 175.995 177.300 -0.301 0.000 1.215 281 P CA -0.261 62.747 63.100 -0.153 0.000 0.780 281 P CB 0.508 32.136 31.700 -0.120 0.000 0.898 282 S N 1.906 117.454 115.700 -0.254 0.000 2.560 282 S HA 0.004 nan 4.470 nan 0.000 0.276 282 S C -1.333 172.966 174.600 -0.501 0.000 1.350 282 S CA -0.150 57.867 58.200 -0.305 0.000 1.024 282 S CB -0.026 63.054 63.200 -0.199 0.000 0.864 282 S HN -0.021 8.194 8.310 -0.157 0.000 0.536 283 P HA -0.046 nan 4.420 nan 0.000 0.264 283 P C -1.528 175.571 177.300 -0.334 0.000 1.193 283 P CA 0.025 62.829 63.100 -0.494 0.000 0.763 283 P CB 0.518 32.000 31.700 -0.364 0.000 0.810 284 F N 3.783 123.584 119.950 -0.249 0.000 2.443 284 F HA -0.017 nan 4.527 nan 0.000 0.353 284 F C 0.033 175.532 175.800 -0.502 0.000 1.101 284 F CA -0.801 56.951 58.000 -0.413 0.000 1.226 284 F CB 0.624 39.334 39.000 -0.483 0.000 1.140 284 F HN 0.459 8.473 8.300 -0.477 0.000 0.557 285 I N 3.972 124.370 120.570 -0.287 0.000 2.337 285 I HA 0.110 nan 4.170 nan 0.000 0.285 285 I C -0.941 175.038 176.117 -0.228 0.000 1.041 285 I CA -1.775 59.398 61.300 -0.212 0.000 1.199 285 I CB -0.579 37.346 38.000 -0.124 0.000 1.370 285 I HN 0.386 8.417 8.210 -0.298 0.000 0.470 286 F N 6.701 126.680 119.950 0.048 0.000 2.484 286 F HA -0.033 nan 4.527 nan 0.000 0.360 286 F C -0.155 175.468 175.800 -0.296 0.000 1.101 286 F CA -0.395 57.504 58.000 -0.168 0.000 1.251 286 F CB 0.268 38.927 39.000 -0.568 0.000 1.132 286 F HN 0.339 8.584 8.300 -0.091 0.000 0.570 287 K N 4.255 124.626 120.400 -0.049 0.000 2.326 287 K HA 0.092 nan 4.320 nan 0.000 0.275 287 K C 0.107 176.596 176.600 -0.185 0.000 1.018 287 K CA 0.450 56.692 56.287 -0.075 0.000 0.962 287 K CB 0.458 32.957 32.500 -0.002 0.000 0.953 287 K HN 0.076 8.380 8.250 0.089 0.000 0.475 288 T N -2.153 112.398 114.554 -0.005 0.000 2.860 288 T HA 0.156 nan 4.350 nan 0.000 0.299 288 T C 1.551 176.332 174.700 0.135 0.000 1.045 288 T CA -0.898 61.285 62.100 0.139 0.000 1.071 288 T CB 1.273 70.224 68.868 0.138 0.000 0.985 288 T HN 0.145 8.760 8.240 0.017 -0.365 0.537 289 L N 1.456 122.790 121.223 0.186 0.000 2.021 289 L HA -0.478 nan 4.340 nan 0.000 0.215 289 L C 1.970 178.887 176.870 0.079 0.000 1.074 289 L CA 3.918 58.828 54.840 0.117 0.000 0.760 289 L CB -0.543 41.578 42.059 0.104 0.000 0.889 289 L HN -0.064 8.531 8.230 0.273 -0.201 0.433 290 E N -1.488 118.760 120.200 0.079 0.000 2.110 290 E HA -0.330 nan 4.350 nan 0.000 0.193 290 E C 2.755 179.387 176.600 0.053 0.000 0.988 290 E CA 2.853 59.290 56.400 0.062 0.000 0.804 290 E CB -0.529 29.210 29.700 0.064 0.000 0.745 290 E HN 0.227 8.637 8.360 0.093 0.006 0.458 291 E N -1.729 118.503 120.200 0.054 0.000 2.204 291 E HA -0.184 nan 4.350 nan 0.000 0.194 291 E C 1.568 178.190 176.600 0.037 0.000 0.989 291 E CA 2.000 58.425 56.400 0.042 0.000 0.824 291 E CB -0.077 29.646 29.700 0.037 0.000 0.756 291 E HN -0.455 7.852 8.360 0.064 0.091 0.477 292 Q N -2.924 116.899 119.800 0.040 0.000 2.392 292 Q HA 0.002 nan 4.340 nan 0.000 0.203 292 Q C 0.913 176.933 176.000 0.034 0.000 0.917 292 Q CA -0.081 55.743 55.803 0.035 0.000 0.939 292 Q CB 0.767 29.526 28.738 0.034 0.000 1.063 292 Q HN -0.596 7.576 8.270 0.047 0.127 0.516 293 G N -1.649 107.174 108.800 0.037 0.000 2.176 293 G HA2 -0.394 nan 3.960 nan 0.000 0.252 293 G HA3 -0.394 nan 3.960 nan 0.000 0.252 293 G C -0.967 173.953 174.900 0.035 0.000 1.024 293 G CA 0.593 45.713 45.100 0.034 0.000 0.755 293 G HN -0.366 7.767 8.290 0.041 0.181 0.507 294 L N 0.000 121.247 121.223 0.040 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.864 54.840 0.040 0.000 0.813 294 L CB 0.000 42.085 42.059 0.043 0.000 0.961 294 L HN 0.000 8.154 8.230 0.046 0.103 0.502