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 2xxl_1_A DATA FIRST_RESID 27 DATA SEQUENCE DYADDcTTPD GDQGQcMPFS ScRTIEERLT EAQKAGQKVP ADYASYLQKA DATA SEQUENCE LcGEFNGVRH FccPSANIQH NSKVMSLFKD ENFDcGNFLS QRVSNGYEVK DATA SEQUENCE LSSRPWMALL RYQQFGESRF LcGGAMISER YILTAAHcVH GLQNDLYEIR DATA SEQUENCE LGEHRISTEE DcRQQGRKKK cAPPVVNVGI EKHLIHEKYD ARHIMHDIAL DATA SEQUENCE LKLNRSVPFQ KHIKPIcLPI TDELKEKAEQ ISTYFVTGWG TTENGSSSDV DATA SEQUENCE LLQANVPLQP RSAcSQAYRR AVPLSQLcVG GGDLQDScKG DSGGPLQAPA DATA SEQUENCE QYLGEYAPKM VEFGIVSQGV VTcGQISLPG LYTNVGEYVQ WITDTMASNG DATA SEQUENCE LLES 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 175.724 176.300 -0.960 0.000 2.045 27 D CA 0.000 53.469 54.000 -0.885 0.000 0.868 27 D CB 0.000 40.547 40.800 -0.422 0.000 0.688 28 Y N 1.907 121.446 120.300 -1.269 0.000 2.810 28 Y HA 0.214 4.866 4.550 0.170 0.000 0.332 28 Y C 1.260 177.029 175.900 -0.217 0.000 1.243 28 Y CA 1.216 58.959 58.100 -0.595 0.000 1.537 28 Y CB 0.086 38.338 38.460 -0.345 0.000 1.265 28 Y HN 0.698 nan 8.280 nan 0.000 0.572 29 A N 3.150 125.491 122.820 -0.798 0.000 3.153 29 A HA -0.275 4.148 4.320 0.172 0.000 0.265 29 A C 0.325 177.735 177.584 -0.289 0.000 1.212 29 A CA 0.986 52.640 52.037 -0.637 0.000 1.018 29 A CB -2.483 15.976 19.000 -0.902 0.000 1.130 29 A HN 0.778 nan 8.150 nan 0.000 0.873 30 D N 1.717 121.986 120.400 -0.219 0.000 2.423 30 D HA 0.353 5.097 4.640 0.172 0.000 0.238 30 D C 0.287 176.546 176.300 -0.068 0.000 1.142 30 D CA 0.103 54.029 54.000 -0.123 0.000 0.884 30 D CB 0.334 41.074 40.800 -0.101 0.000 1.199 30 D HN 0.388 nan 8.370 nan 0.000 0.438 31 D N 0.209 120.583 120.400 -0.044 0.000 2.443 31 D HA 0.155 4.898 4.640 0.172 0.000 0.239 31 D C 0.323 176.621 176.300 -0.003 0.000 1.136 31 D CA 0.152 54.141 54.000 -0.019 0.000 0.879 31 D CB 0.465 41.258 40.800 -0.013 0.000 1.195 31 D HN 0.416 nan 8.370 nan 0.000 0.443 32 c N -0.737 117.870 118.600 0.011 0.000 3.332 32 c HA 0.745 5.418 4.570 0.172 0.000 0.329 32 c C -0.541 173.565 174.090 0.026 0.000 1.434 32 c CA -0.796 55.546 56.329 0.021 0.000 1.314 32 c CB 1.424 43.954 42.510 0.033 0.000 1.664 32 c HN 0.474 nan 8.230 nan 0.000 0.457 33 T N 1.973 116.542 114.554 0.025 0.000 2.812 33 T HA 0.635 5.088 4.350 0.172 0.000 0.282 33 T C 0.327 175.044 174.700 0.029 0.000 0.990 33 T CA 0.024 62.142 62.100 0.030 0.000 0.960 33 T CB 1.376 70.259 68.868 0.025 0.000 0.948 33 T HN 1.156 nan 8.240 nan 0.000 0.438 34 T N 1.376 115.959 114.554 0.048 0.000 2.802 34 T HA 0.195 4.649 4.350 0.172 0.000 0.305 34 T C -1.680 173.033 174.700 0.022 0.000 1.053 34 T CA -1.328 60.797 62.100 0.042 0.000 1.058 34 T CB 0.264 69.210 68.868 0.131 0.000 0.988 34 T HN 0.159 nan 8.240 nan 0.000 0.539 35 P HA -0.057 nan 4.420 nan 0.000 0.219 35 P C 0.856 178.223 177.300 0.112 0.000 1.146 35 P CA 0.996 64.084 63.100 -0.019 0.000 0.808 35 P CB -0.066 31.531 31.700 -0.172 0.000 0.779 36 D N -1.931 118.601 120.400 0.220 0.000 2.336 36 D HA 0.133 4.877 4.640 0.172 0.000 0.228 36 D C 1.185 177.552 176.300 0.113 0.000 1.120 36 D CA 0.126 54.235 54.000 0.182 0.000 0.839 36 D CB -0.962 39.965 40.800 0.211 0.000 0.932 36 D HN 0.173 nan 8.370 nan 0.000 0.509 37 G N 0.486 109.340 108.800 0.090 0.000 2.147 37 G HA2 -0.235 3.829 3.960 0.172 0.000 0.244 37 G HA3 -0.235 3.829 3.960 0.172 0.000 0.244 37 G C -0.533 174.402 174.900 0.059 0.000 1.005 37 G CA -0.042 45.096 45.100 0.062 0.000 0.713 37 G HN 0.400 nan 8.290 nan 0.000 0.515 38 D N 0.527 120.971 120.400 0.074 0.000 2.210 38 D HA 0.474 5.218 4.640 0.172 0.000 0.249 38 D C 0.601 176.934 176.300 0.056 0.000 1.062 38 D CA -0.197 53.842 54.000 0.064 0.000 0.891 38 D CB 0.932 41.779 40.800 0.079 0.000 1.186 38 D HN 0.084 nan 8.370 nan 0.000 0.432 39 Q N 0.693 120.519 119.800 0.043 0.000 2.327 39 Q HA 0.608 5.051 4.340 0.172 0.000 0.254 39 Q C 0.524 176.548 176.000 0.041 0.000 0.952 39 Q CA -0.268 55.557 55.803 0.036 0.000 0.884 39 Q CB 1.479 30.233 28.738 0.026 0.000 1.224 39 Q HN 0.653 nan 8.270 nan 0.000 0.422 40 G N 0.884 109.707 108.800 0.039 0.000 2.664 40 G HA2 0.518 4.581 3.960 0.172 0.000 0.303 40 G HA3 0.518 4.581 3.960 0.172 0.000 0.303 40 G C -1.419 173.499 174.900 0.031 0.000 1.243 40 G CA -0.547 44.578 45.100 0.043 0.000 0.826 40 G HN 0.440 nan 8.290 nan 0.000 0.498 41 Q N -1.416 118.406 119.800 0.038 0.000 2.421 41 Q HA 0.443 4.887 4.340 0.172 0.000 0.280 41 Q C -1.218 174.814 176.000 0.053 0.000 1.085 41 Q CA -0.710 55.101 55.803 0.013 0.000 0.807 41 Q CB 3.076 31.796 28.738 -0.029 0.000 1.405 41 Q HN 0.605 nan 8.270 nan 0.000 0.419 42 c N 3.968 122.593 118.600 0.043 0.000 2.492 42 c HA 0.391 5.064 4.570 0.172 0.000 0.362 42 c C -0.595 173.652 174.090 0.262 0.000 1.207 42 c CA -0.043 56.374 56.329 0.147 0.000 1.626 42 c CB -1.393 41.191 42.510 0.122 0.000 2.239 42 c HN 0.547 nan 8.230 nan 0.000 0.547 43 M N 7.330 127.116 119.600 0.310 0.000 2.644 43 M HA 0.524 5.107 4.480 0.172 0.000 0.304 43 M C -2.344 174.027 176.300 0.118 0.000 1.215 43 M CA -2.928 52.557 55.300 0.307 0.000 0.871 43 M CB 1.337 34.051 32.600 0.189 0.000 1.740 43 M HN 0.231 nan 8.290 nan 0.000 0.464 44 P HA 0.096 nan 4.420 nan 0.000 0.270 44 P C 0.751 178.087 177.300 0.061 0.000 1.223 44 P CA -0.213 62.736 63.100 -0.252 0.000 0.785 44 P CB 0.136 31.652 31.700 -0.307 0.000 0.923 45 F N 0.164 120.216 119.950 0.169 0.000 2.202 45 F HA -0.148 4.483 4.527 0.173 0.000 0.301 45 F C 1.613 177.446 175.800 0.055 0.000 1.082 45 F CA 1.589 59.666 58.000 0.128 0.000 1.313 45 F CB -1.701 37.335 39.000 0.059 0.000 1.024 45 F HN 0.095 nan 8.300 nan 0.000 0.495 46 S N -0.414 114.710 115.700 -0.960 0.000 2.507 46 S HA -0.081 4.492 4.470 0.172 0.000 0.235 46 S C 1.572 176.010 174.600 -0.269 0.000 0.988 46 S CA 1.082 58.834 58.200 -0.747 0.000 0.944 46 S CB -0.444 62.321 63.200 -0.724 0.000 0.762 46 S HN 0.460 nan 8.310 nan 0.000 0.526 47 S N 0.050 115.669 115.700 -0.135 0.000 2.575 47 S HA 0.252 4.826 4.470 0.172 0.000 0.237 47 S C -0.103 174.522 174.600 0.041 0.000 0.975 47 S CA -0.363 57.831 58.200 -0.011 0.000 0.960 47 S CB 0.239 63.470 63.200 0.052 0.000 0.822 47 S HN 0.507 nan 8.310 nan 0.000 0.472 48 c N 2.265 120.894 118.600 0.048 0.000 2.407 48 c HA 0.447 5.120 4.570 0.172 0.000 0.328 48 c C 1.689 175.827 174.090 0.080 0.000 1.137 48 c CA -0.870 55.512 56.329 0.089 0.000 1.390 48 c CB -0.091 42.505 42.510 0.144 0.000 1.989 48 c HN 0.651 nan 8.230 nan 0.000 0.432 49 R N 2.001 122.532 120.500 0.052 0.000 2.096 49 R HA -0.153 4.290 4.340 0.172 0.000 0.240 49 R C 2.028 178.359 176.300 0.051 0.000 1.139 49 R CA 2.817 58.941 56.100 0.039 0.000 0.952 49 R CB -0.224 30.086 30.300 0.017 0.000 0.854 49 R HN 0.929 nan 8.270 nan 0.000 0.436 50 T N -0.912 113.677 114.554 0.059 0.000 2.746 50 T HA -0.102 4.351 4.350 0.172 0.000 0.267 50 T C 2.075 176.822 174.700 0.078 0.000 1.039 50 T CA 1.467 63.598 62.100 0.052 0.000 1.142 50 T CB -0.401 68.502 68.868 0.058 0.000 0.866 50 T HN 0.234 nan 8.240 nan 0.000 0.444 51 I N 1.470 122.125 120.570 0.142 0.000 2.202 51 I HA -0.101 4.173 4.170 0.172 0.000 0.242 51 I C 2.981 179.196 176.117 0.164 0.000 1.091 51 I CA 1.707 63.116 61.300 0.180 0.000 1.368 51 I CB -0.469 37.606 38.000 0.124 0.000 1.058 51 I HN 0.355 nan 8.210 nan 0.000 0.410 52 E N 1.315 121.651 120.200 0.227 0.000 2.085 52 E HA -0.273 4.181 4.350 0.172 0.000 0.194 52 E C 2.011 178.682 176.600 0.118 0.000 0.994 52 E CA 1.526 58.093 56.400 0.277 0.000 0.801 52 E CB 0.048 29.876 29.700 0.214 0.000 0.743 52 E HN 0.478 nan 8.360 nan 0.000 0.453 53 E N -0.149 120.082 120.200 0.051 0.000 2.058 53 E HA -0.200 4.253 4.350 0.172 0.000 0.194 53 E C 2.309 178.875 176.600 -0.057 0.000 0.997 53 E CA 0.891 57.287 56.400 -0.006 0.000 0.801 53 E CB 0.018 29.702 29.700 -0.028 0.000 0.746 53 E HN 0.135 nan 8.360 nan 0.000 0.450 54 R N 0.487 120.921 120.500 -0.110 0.000 2.081 54 R HA -0.106 4.338 4.340 0.172 0.000 0.235 54 R C 2.475 178.687 176.300 -0.148 0.000 1.131 54 R CA 0.932 56.885 56.100 -0.246 0.000 0.960 54 R CB -0.790 29.144 30.300 -0.609 0.000 0.856 54 R HN 0.275 nan 8.270 nan 0.000 0.436 55 L N 0.064 121.247 121.223 -0.068 0.000 2.056 55 L HA -0.134 4.310 4.340 0.172 0.000 0.207 55 L C 2.360 179.196 176.870 -0.057 0.000 1.078 55 L CA 1.497 56.288 54.840 -0.082 0.000 0.749 55 L CB -0.739 41.199 42.059 -0.201 0.000 0.901 55 L HN 0.172 nan 8.230 nan 0.000 0.433 56 T N -0.801 113.744 114.554 -0.015 0.000 2.777 56 T HA -0.166 4.287 4.350 0.172 0.000 0.266 56 T C 1.743 176.428 174.700 -0.024 0.000 1.040 56 T CA 1.260 63.360 62.100 -0.000 0.000 1.141 56 T CB -0.131 68.754 68.868 0.029 0.000 0.868 56 T HN 0.364 nan 8.240 nan 0.000 0.444 57 E N 1.082 121.256 120.200 -0.044 0.000 2.077 57 E HA -0.069 4.384 4.350 0.172 0.000 0.193 57 E C 2.526 179.094 176.600 -0.054 0.000 0.989 57 E CA 1.033 57.401 56.400 -0.053 0.000 0.800 57 E CB -0.214 29.440 29.700 -0.077 0.000 0.746 57 E HN 0.473 nan 8.360 nan 0.000 0.452 58 A N 1.203 123.985 122.820 -0.063 0.000 1.873 58 A HA -0.269 4.155 4.320 0.172 0.000 0.215 58 A C 2.163 179.725 177.584 -0.036 0.000 1.186 58 A CA 1.601 53.607 52.037 -0.052 0.000 0.616 58 A CB -0.578 18.391 19.000 -0.052 0.000 0.823 58 A HN 0.233 nan 8.150 nan 0.000 0.442 59 Q N -0.078 119.702 119.800 -0.034 0.000 2.077 59 Q HA -0.251 4.193 4.340 0.172 0.000 0.206 59 Q C 1.969 177.958 176.000 -0.018 0.000 0.989 59 Q CA 2.099 57.888 55.803 -0.024 0.000 0.853 59 Q CB -0.184 28.543 28.738 -0.019 0.000 0.907 59 Q HN 0.670 nan 8.270 nan 0.000 0.418 60 K N -0.418 119.971 120.400 -0.018 0.000 2.147 60 K HA -0.105 4.318 4.320 0.172 0.000 0.205 60 K C 1.738 178.328 176.600 -0.016 0.000 1.049 60 K CA 1.045 57.324 56.287 -0.014 0.000 0.936 60 K CB -0.052 32.439 32.500 -0.014 0.000 0.722 60 K HN 0.236 nan 8.250 nan 0.000 0.446 61 A N 0.406 123.213 122.820 -0.021 0.000 2.238 61 A HA 0.182 4.606 4.320 0.172 0.000 0.208 61 A C 1.163 178.736 177.584 -0.017 0.000 1.177 61 A CA 0.664 52.688 52.037 -0.021 0.000 0.804 61 A CB -0.284 18.701 19.000 -0.026 0.000 0.823 61 A HN 0.382 nan 8.150 nan 0.000 0.482 62 G N -0.913 107.878 108.800 -0.016 0.000 2.246 62 G HA2 -0.193 3.870 3.960 0.172 0.000 0.273 62 G HA3 -0.193 3.870 3.960 0.172 0.000 0.273 62 G C -0.134 174.757 174.900 -0.014 0.000 1.055 62 G CA 0.556 45.648 45.100 -0.013 0.000 0.851 62 G HN 0.528 nan 8.290 nan 0.000 0.500 63 Q N -1.053 118.736 119.800 -0.017 0.000 2.544 63 Q HA 0.497 4.941 4.340 0.172 0.000 0.291 63 Q C 0.170 176.159 176.000 -0.019 0.000 1.068 63 Q CA -0.757 55.036 55.803 -0.017 0.000 0.785 63 Q CB 1.390 30.117 28.738 -0.018 0.000 1.481 63 Q HN 0.381 nan 8.270 nan 0.000 0.430 64 K N 0.351 120.743 120.400 -0.014 0.000 2.090 64 K HA 0.405 4.829 4.320 0.172 0.000 0.250 64 K C 0.235 176.832 176.600 -0.005 0.000 1.004 64 K CA -0.550 55.731 56.287 -0.011 0.000 0.919 64 K CB 0.937 33.435 32.500 -0.003 0.000 1.045 64 K HN 0.475 nan 8.250 nan 0.000 0.471 65 V N -0.402 119.519 119.914 0.013 0.000 3.096 65 V HA 0.144 4.368 4.120 0.172 0.000 0.306 65 V C -2.203 173.925 176.094 0.057 0.000 1.088 65 V CA -1.524 60.802 62.300 0.044 0.000 1.129 65 V CB -0.427 31.496 31.823 0.167 0.000 1.014 65 V HN 0.619 nan 8.190 nan 0.000 0.486 66 P HA 0.270 nan 4.420 nan 0.000 0.270 66 P C 0.750 178.099 177.300 0.082 0.000 1.223 66 P CA 0.365 63.497 63.100 0.054 0.000 0.785 66 P CB 0.575 32.298 31.700 0.038 0.000 0.923 67 A N 2.399 125.250 122.820 0.052 0.000 1.917 67 A HA -0.247 4.177 4.320 0.172 0.000 0.219 67 A C 1.769 179.389 177.584 0.059 0.000 1.182 67 A CA 2.246 54.310 52.037 0.045 0.000 0.633 67 A CB -1.409 17.609 19.000 0.029 0.000 0.819 67 A HN 0.704 nan 8.150 nan 0.000 0.448 68 D N -1.920 118.523 120.400 0.072 0.000 2.178 68 D HA -0.217 4.527 4.640 0.172 0.000 0.202 68 D C 1.732 178.111 176.300 0.132 0.000 0.974 68 D CA 1.536 55.587 54.000 0.085 0.000 0.841 68 D CB -0.724 40.118 40.800 0.071 0.000 0.953 68 D HN 0.526 nan 8.370 nan 0.000 0.478 69 Y N 1.369 121.682 120.300 0.021 0.000 2.263 69 Y HA 0.149 4.802 4.550 0.172 0.000 0.292 69 Y C 2.649 178.593 175.900 0.074 0.000 1.130 69 Y CA 1.317 59.437 58.100 0.033 0.000 1.179 69 Y CB -0.474 37.967 38.460 -0.031 0.000 0.998 69 Y HN 0.054 nan 8.280 nan 0.000 0.532 70 A N -1.125 121.705 122.820 0.015 0.000 1.940 70 A HA -0.219 4.204 4.320 0.172 0.000 0.219 70 A C 2.508 180.058 177.584 -0.057 0.000 1.176 70 A CA 1.981 53.989 52.037 -0.048 0.000 0.631 70 A CB -1.334 17.670 19.000 0.007 0.000 0.814 70 A HN 0.473 nan 8.150 nan 0.000 0.446 71 S N -1.955 113.739 115.700 -0.008 0.000 2.368 71 S HA -0.205 4.368 4.470 0.172 0.000 0.225 71 S C 1.892 176.488 174.600 -0.007 0.000 1.030 71 S CA 1.599 59.801 58.200 0.003 0.000 0.999 71 S CB -0.559 62.660 63.200 0.031 0.000 0.844 71 S HN 0.676 nan 8.310 nan 0.000 0.459 72 Y N 1.819 122.033 120.300 -0.144 0.000 2.181 72 Y HA -0.042 4.612 4.550 0.173 0.000 0.288 72 Y C 1.926 177.705 175.900 -0.202 0.000 1.146 72 Y CA 1.800 59.800 58.100 -0.166 0.000 1.164 72 Y CB -0.381 37.959 38.460 -0.201 0.000 0.982 72 Y HN 0.248 nan 8.280 nan 0.000 0.515 73 L N -0.033 121.023 121.223 -0.279 0.000 2.083 73 L HA -0.221 4.223 4.340 0.172 0.000 0.209 73 L C 2.525 179.406 176.870 0.018 0.000 1.083 73 L CA 1.605 56.297 54.840 -0.245 0.000 0.752 73 L CB -0.601 41.232 42.059 -0.377 0.000 0.899 73 L HN 0.264 nan 8.230 nan 0.000 0.433 74 Q N 0.760 120.547 119.800 -0.020 0.000 2.084 74 Q HA -0.197 4.246 4.340 0.172 0.000 0.202 74 Q C 2.064 178.043 176.000 -0.035 0.000 0.978 74 Q CA 1.714 57.521 55.803 0.008 0.000 0.844 74 Q CB 0.015 28.748 28.738 -0.009 0.000 0.898 74 Q HN 0.310 nan 8.270 nan 0.000 0.426 75 K N -0.759 119.581 120.400 -0.100 0.000 2.155 75 K HA 0.024 4.448 4.320 0.172 0.000 0.203 75 K C 1.883 178.394 176.600 -0.150 0.000 1.052 75 K CA 0.941 57.154 56.287 -0.124 0.000 0.948 75 K CB -0.083 32.328 32.500 -0.148 0.000 0.728 75 K HN 0.247 nan 8.250 nan 0.000 0.448 76 A N 1.296 123.988 122.820 -0.214 0.000 2.119 76 A HA -0.020 4.403 4.320 0.172 0.000 0.216 76 A C 0.879 178.503 177.584 0.066 0.000 1.152 76 A CA 0.021 51.982 52.037 -0.127 0.000 0.708 76 A CB -0.227 18.636 19.000 -0.229 0.000 0.805 76 A HN 0.211 nan 8.150 nan 0.000 0.460 77 L N 0.956 122.216 121.223 0.062 0.000 2.601 77 L HA 0.000 4.444 4.340 0.172 0.000 0.277 77 L C 0.931 177.733 176.870 -0.113 0.000 1.219 77 L CA 0.564 55.316 54.840 -0.146 0.000 0.915 77 L CB 0.583 42.549 42.059 -0.154 0.000 1.160 77 L HN 0.442 nan 8.230 nan 0.000 0.494 78 c N 2.539 121.068 118.600 -0.117 0.000 3.255 78 c HA 0.872 5.545 4.570 0.172 0.000 0.282 78 c C 0.704 174.795 174.090 0.002 0.000 1.441 78 c CA -0.171 56.157 56.329 -0.002 0.000 1.785 78 c CB -1.298 41.264 42.510 0.085 0.000 2.583 78 c HN 1.276 nan 8.230 nan 0.000 0.615 79 G N 0.452 109.125 108.800 -0.212 0.000 2.353 79 G HA2 0.269 4.332 3.960 0.172 0.000 0.424 79 G HA3 0.269 4.332 3.960 0.172 0.000 0.424 79 G C -1.843 172.586 174.900 -0.785 0.000 1.320 79 G CA -0.490 44.297 45.100 -0.522 0.000 0.995 79 G HN 0.437 nan 8.290 nan 0.000 0.580 80 E N -0.323 119.281 120.200 -0.993 0.000 2.182 80 E HA 0.642 5.096 4.350 0.172 0.000 0.258 80 E C -1.360 174.727 176.600 -0.855 0.000 0.879 80 E CA -0.704 55.302 56.400 -0.658 0.000 0.754 80 E CB 0.784 30.294 29.700 -0.317 0.000 1.162 80 E HN 0.332 nan 8.360 nan 0.000 0.419 81 F N 3.483 123.415 119.950 -0.030 0.000 2.493 81 F HA 0.306 4.937 4.527 0.174 0.000 0.329 81 F C 0.670 176.479 175.800 0.015 0.000 1.126 81 F CA -1.262 56.691 58.000 -0.079 0.000 0.937 81 F CB 1.367 40.206 39.000 -0.269 0.000 1.146 81 F HN 0.491 nan 8.300 nan 0.000 0.442 82 N N 2.262 121.047 118.700 0.142 0.000 2.727 82 N HA -0.197 4.646 4.740 0.172 0.000 0.249 82 N C 0.996 176.541 175.510 0.058 0.000 1.048 82 N CA 1.252 54.351 53.050 0.082 0.000 0.714 82 N CB -0.936 37.587 38.487 0.060 0.000 0.959 82 N HN 1.248 nan 8.380 nan 0.000 0.544 83 G N -2.650 106.172 108.800 0.036 0.000 2.155 83 G HA2 -0.269 3.795 3.960 0.172 0.000 0.257 83 G HA3 -0.269 3.795 3.960 0.172 0.000 0.257 83 G C -0.014 174.906 174.900 0.034 0.000 0.983 83 G CA 0.465 45.576 45.100 0.018 0.000 0.676 83 G HN 0.803 nan 8.290 nan 0.000 0.528 84 V N 0.999 120.961 119.914 0.080 0.000 2.417 84 V HA 0.482 4.705 4.120 0.172 0.000 0.291 84 V C 0.925 177.102 176.094 0.137 0.000 1.024 84 V CA -1.025 61.336 62.300 0.102 0.000 0.861 84 V CB 1.610 33.490 31.823 0.094 0.000 0.985 84 V HN 0.364 nan 8.190 nan 0.000 0.436 85 R N 3.594 124.119 120.500 0.041 0.000 2.491 85 R HA 0.332 4.776 4.340 0.172 0.000 0.283 85 R C -0.419 175.782 176.300 -0.166 0.000 1.072 85 R CA -0.151 55.882 56.100 -0.112 0.000 1.048 85 R CB 0.346 30.549 30.300 -0.163 0.000 0.983 85 R HN 0.710 nan 8.270 nan 0.000 0.450 86 H N 2.642 121.476 119.070 -0.392 0.000 2.524 86 H HA 0.351 5.011 4.556 0.173 0.000 0.353 86 H C -0.788 174.252 175.328 -0.480 0.000 1.136 86 H CA -0.499 55.448 56.048 -0.167 0.000 1.193 86 H CB 1.519 31.392 29.762 0.186 0.000 1.558 86 H HN 0.331 nan 8.280 nan 0.000 0.515 87 F N -0.023 120.043 119.950 0.193 0.000 2.577 87 F HA 0.202 4.833 4.527 0.173 0.000 0.318 87 F C 0.218 176.083 175.800 0.107 0.000 1.065 87 F CA -0.822 57.243 58.000 0.109 0.000 0.929 87 F CB 1.190 40.236 39.000 0.077 0.000 1.237 87 F HN 0.410 nan 8.300 nan 0.000 0.468 88 c N 2.716 121.452 118.600 0.226 0.000 2.627 88 c HA 0.423 5.096 4.570 0.172 0.000 0.404 88 c C 0.221 174.413 174.090 0.171 0.000 1.340 88 c CA -0.587 55.833 56.329 0.152 0.000 1.758 88 c CB -1.482 41.078 42.510 0.082 0.000 2.501 88 c HN 0.849 nan 8.230 nan 0.000 0.588 89 c N 9.507 128.200 118.600 0.156 0.000 2.351 89 c HA 0.609 5.283 4.570 0.172 0.000 0.326 89 c C -2.441 171.715 174.090 0.110 0.000 1.272 89 c CA -1.793 54.625 56.329 0.148 0.000 1.650 89 c CB 0.786 43.383 42.510 0.146 0.000 2.257 89 c HN 0.814 nan 8.230 nan 0.000 0.505 90 P HA 0.079 nan 4.420 nan 0.000 0.264 90 P C 0.658 177.994 177.300 0.061 0.000 1.193 90 P CA 0.562 63.710 63.100 0.081 0.000 0.763 90 P CB 0.696 32.445 31.700 0.081 0.000 0.810 91 S N 3.383 119.111 115.700 0.046 0.000 2.381 91 S HA -0.297 4.277 4.470 0.172 0.000 0.230 91 S C 1.883 176.500 174.600 0.029 0.000 1.052 91 S CA 2.050 60.270 58.200 0.034 0.000 1.068 91 S CB -0.927 62.289 63.200 0.026 0.000 0.918 91 S HN 0.659 nan 8.310 nan 0.000 0.448 92 A N 1.393 124.229 122.820 0.027 0.000 2.172 92 A HA -0.009 4.415 4.320 0.172 0.000 0.216 92 A C 1.573 179.167 177.584 0.017 0.000 1.154 92 A CA 0.998 53.046 52.037 0.018 0.000 0.701 92 A CB -0.283 18.727 19.000 0.016 0.000 0.789 92 A HN 0.458 nan 8.150 nan 0.000 0.465 93 N N -0.448 118.271 118.700 0.030 0.000 2.299 93 N HA 0.183 5.027 4.740 0.172 0.000 0.187 93 N C 0.109 175.640 175.510 0.035 0.000 1.099 93 N CA 0.003 53.074 53.050 0.034 0.000 0.867 93 N CB 0.028 38.547 38.487 0.053 0.000 0.974 93 N HN 0.459 nan 8.380 nan 0.000 0.477 94 I N 2.149 122.741 120.570 0.036 0.000 2.618 94 I HA -0.077 4.196 4.170 0.172 0.000 0.284 94 I C 0.622 176.745 176.117 0.010 0.000 1.146 94 I CA 0.218 61.543 61.300 0.042 0.000 1.425 94 I CB 0.343 38.375 38.000 0.052 0.000 1.383 94 I HN 0.140 nan 8.210 nan 0.000 0.562 95 Q N 5.081 124.890 119.800 0.016 0.000 2.451 95 Q HA 0.454 4.898 4.340 0.172 0.000 0.281 95 Q C -1.060 174.968 176.000 0.046 0.000 1.099 95 Q CA -1.111 54.672 55.803 -0.035 0.000 0.806 95 Q CB 1.556 30.275 28.738 -0.032 0.000 1.419 95 Q HN 0.431 nan 8.270 nan 0.000 0.427 96 H N 1.433 120.518 119.070 0.025 0.000 2.972 96 H HA 0.026 4.686 4.556 0.173 0.000 0.343 96 H C 0.032 175.341 175.328 -0.032 0.000 1.054 96 H CA 0.043 56.104 56.048 0.023 0.000 1.412 96 H CB 0.434 30.226 29.762 0.049 0.000 1.385 96 H HN 0.589 nan 8.280 nan 0.000 0.600 97 N N 1.540 120.275 118.700 0.059 0.000 2.386 97 N HA -0.124 4.720 4.740 0.172 0.000 0.273 97 N C 0.999 176.440 175.510 -0.116 0.000 1.331 97 N CA 0.554 53.558 53.050 -0.078 0.000 0.891 97 N CB 0.531 38.931 38.487 -0.145 0.000 1.139 97 N HN 0.669 nan 8.380 nan 0.000 0.487 98 S N 3.867 119.488 115.700 -0.132 0.000 2.419 98 S HA -0.137 4.437 4.470 0.172 0.000 0.235 98 S C 1.376 175.883 174.600 -0.154 0.000 1.019 98 S CA 0.917 59.045 58.200 -0.120 0.000 0.982 98 S CB 0.002 63.139 63.200 -0.105 0.000 0.789 98 S HN 0.613 nan 8.310 nan 0.000 0.490 99 K N 0.390 120.673 120.400 -0.195 0.000 2.283 99 K HA 0.077 4.501 4.320 0.172 0.000 0.202 99 K C 1.680 178.129 176.600 -0.251 0.000 1.048 99 K CA 1.179 57.350 56.287 -0.193 0.000 0.948 99 K CB -0.125 32.261 32.500 -0.190 0.000 0.742 99 K HN 0.342 nan 8.250 nan 0.000 0.458 100 V N 0.384 120.104 119.914 -0.325 0.000 2.922 100 V HA -0.051 4.173 4.120 0.172 0.000 0.242 100 V C 1.923 177.641 176.094 -0.626 0.000 1.094 100 V CA 0.606 62.578 62.300 -0.546 0.000 1.106 100 V CB -0.032 31.430 31.823 -0.602 0.000 0.799 100 V HN 0.241 nan 8.190 nan 0.000 0.474 101 M N 1.283 120.691 119.600 -0.321 0.000 2.279 101 M HA -0.110 4.474 4.480 0.172 0.000 0.264 101 M C 2.493 178.717 176.300 -0.126 0.000 1.062 101 M CA 1.977 57.194 55.300 -0.139 0.000 1.099 101 M CB -1.303 31.295 32.600 -0.004 0.000 1.394 101 M HN 0.622 nan 8.290 nan 0.000 0.426 102 S N 0.507 116.113 115.700 -0.158 0.000 2.399 102 S HA -0.134 4.440 4.470 0.172 0.000 0.231 102 S C 1.867 176.390 174.600 -0.130 0.000 1.022 102 S CA 0.981 59.117 58.200 -0.107 0.000 0.983 102 S CB -0.783 62.362 63.200 -0.092 0.000 0.803 102 S HN 0.425 nan 8.310 nan 0.000 0.480 103 L N 0.500 121.560 121.223 -0.272 0.000 2.007 103 L HA 0.220 4.663 4.340 0.172 0.000 0.205 103 L C 2.058 178.682 176.870 -0.409 0.000 1.073 103 L CA 1.650 56.276 54.840 -0.356 0.000 0.744 103 L CB -0.975 40.770 42.059 -0.524 0.000 0.898 103 L HN 0.189 nan 8.230 nan 0.000 0.435 104 F N 0.591 120.250 119.950 -0.484 0.000 2.202 104 F HA -0.152 4.477 4.527 0.171 0.000 0.301 104 F C 2.256 178.099 175.800 0.073 0.000 1.082 104 F CA 1.180 58.996 58.000 -0.305 0.000 1.313 104 F CB -1.027 37.928 39.000 -0.076 0.000 1.024 104 F HN 0.193 nan 8.300 nan 0.000 0.495 105 K N -0.428 120.082 120.400 0.184 0.000 2.404 105 K HA -0.014 4.410 4.320 0.172 0.000 0.194 105 K C 0.438 177.130 176.600 0.152 0.000 1.023 105 K CA -0.123 56.250 56.287 0.143 0.000 1.094 105 K CB 0.068 32.604 32.500 0.061 0.000 0.841 105 K HN 0.029 nan 8.250 nan 0.000 0.523 106 D N 2.467 122.965 120.400 0.163 0.000 2.458 106 D HA -0.088 4.655 4.640 0.172 0.000 0.243 106 D C 0.894 177.335 176.300 0.234 0.000 1.146 106 D CA 0.313 54.415 54.000 0.171 0.000 0.877 106 D CB 0.989 41.888 40.800 0.165 0.000 1.176 106 D HN 0.335 nan 8.370 nan 0.000 0.461 107 E N 2.922 123.224 120.200 0.169 0.000 2.267 107 E HA -0.216 4.238 4.350 0.172 0.000 0.197 107 E C 0.506 177.216 176.600 0.184 0.000 0.998 107 E CA 0.916 57.415 56.400 0.165 0.000 0.830 107 E CB 0.005 29.773 29.700 0.114 0.000 0.751 107 E HN 0.319 nan 8.360 nan 0.000 0.491 108 N N 0.075 118.895 118.700 0.200 0.000 2.280 108 N HA 0.019 4.863 4.740 0.172 0.000 0.192 108 N C -0.701 174.981 175.510 0.287 0.000 1.109 108 N CA 0.015 53.185 53.050 0.200 0.000 0.855 108 N CB 0.107 38.689 38.487 0.159 0.000 0.974 108 N HN 0.137 nan 8.380 nan 0.000 0.482 109 F N 2.560 122.622 119.950 0.188 0.000 2.494 109 F HA 0.080 4.710 4.527 0.171 0.000 0.351 109 F C 0.448 176.355 175.800 0.179 0.000 1.205 109 F CA -1.222 56.922 58.000 0.240 0.000 1.125 109 F CB 0.160 39.322 39.000 0.271 0.000 1.268 109 F HN -0.192 nan 8.300 nan 0.000 0.593 110 D N 6.170 126.477 120.400 -0.157 0.000 2.608 110 D HA 0.087 4.830 4.640 0.172 0.000 0.224 110 D C -0.279 175.725 176.300 -0.493 0.000 1.123 110 D CA -0.102 53.773 54.000 -0.209 0.000 1.030 110 D CB -0.454 40.318 40.800 -0.047 0.000 1.093 110 D HN 0.477 nan 8.370 nan 0.000 0.497 111 c N -0.132 118.103 118.600 -0.608 0.000 2.398 111 c HA 0.853 5.526 4.570 0.172 0.000 0.364 111 c C 1.719 175.552 174.090 -0.429 0.000 1.219 111 c CA -0.005 55.939 56.329 -0.641 0.000 2.312 111 c CB 0.570 42.639 42.510 -0.735 0.000 2.428 111 c HN 0.667 nan 8.230 nan 0.000 0.564 112 G N 2.639 111.175 108.800 -0.439 0.000 2.258 112 G HA2 -0.275 3.789 3.960 0.172 0.000 0.274 112 G HA3 -0.275 3.789 3.960 0.172 0.000 0.274 112 G C 0.124 175.090 174.900 0.109 0.000 1.021 112 G CA 0.638 45.465 45.100 -0.453 0.000 0.798 112 G HN 1.152 nan 8.290 nan 0.000 0.507 113 N N 0.233 119.068 118.700 0.225 0.000 2.475 113 N HA 0.475 5.318 4.740 0.172 0.000 0.267 113 N C -0.091 175.666 175.510 0.411 0.000 1.169 113 N CA 0.630 53.813 53.050 0.222 0.000 0.947 113 N CB 0.117 38.660 38.487 0.095 0.000 1.061 113 N HN 0.700 nan 8.380 nan 0.000 0.466 114 F N 2.002 122.027 119.950 0.126 0.000 2.678 114 F HA 0.370 5.002 4.527 0.174 0.000 0.308 114 F C -0.724 175.111 175.800 0.059 0.000 1.118 114 F CA -0.956 57.101 58.000 0.096 0.000 0.959 114 F CB 0.705 39.798 39.000 0.156 0.000 1.305 114 F HN 0.174 nan 8.300 nan 0.000 0.443 115 L N 1.081 122.227 121.223 -0.128 0.000 2.379 115 L HA 0.225 4.668 4.340 0.172 0.000 0.190 115 L C 1.724 178.573 176.870 -0.036 0.000 1.111 115 L CA 1.216 55.950 54.840 -0.177 0.000 0.820 115 L CB -0.396 41.626 42.059 -0.063 0.000 1.046 115 L HN 0.852 nan 8.230 nan 0.000 0.485 116 S N -1.880 113.916 115.700 0.160 0.000 3.056 116 S HA 0.175 4.748 4.470 0.172 0.000 0.255 116 S C 0.399 175.031 174.600 0.053 0.000 1.079 116 S CA -0.546 57.725 58.200 0.117 0.000 0.810 116 S CB 0.159 63.471 63.200 0.187 0.000 0.810 116 S HN 0.390 nan 8.310 nan 0.000 0.477 117 Q N 0.396 120.233 119.800 0.062 0.000 2.484 117 Q HA 0.583 5.027 4.340 0.172 0.000 0.285 117 Q C -1.376 174.648 176.000 0.040 0.000 1.097 117 Q CA -1.162 54.659 55.803 0.030 0.000 0.802 117 Q CB 1.530 30.273 28.738 0.009 0.000 1.444 117 Q HN 0.062 nan 8.270 nan 0.000 0.429 118 R N 0.608 121.122 120.500 0.023 0.000 2.390 118 R HA 0.298 4.742 4.340 0.172 0.000 0.291 118 R C -0.479 175.834 176.300 0.023 0.000 1.070 118 R CA -0.579 55.535 56.100 0.023 0.000 1.014 118 R CB 1.286 31.593 30.300 0.012 0.000 1.007 118 R HN 0.443 nan 8.270 nan 0.000 0.466 119 V N 3.547 123.477 119.914 0.027 0.000 2.458 119 V HA -0.050 4.174 4.120 0.172 0.000 0.287 119 V C 0.719 176.815 176.094 0.003 0.000 1.009 119 V CA 0.454 62.768 62.300 0.023 0.000 1.091 119 V CB 0.489 32.331 31.823 0.030 0.000 0.960 119 V HN 0.876 nan 8.190 nan 0.000 0.476 120 S N 4.121 119.816 115.700 -0.008 0.000 2.578 120 S HA 0.318 4.892 4.470 0.172 0.000 0.301 120 S C 0.902 175.468 174.600 -0.057 0.000 1.091 120 S CA -0.682 57.502 58.200 -0.027 0.000 1.032 120 S CB 1.546 64.731 63.200 -0.025 0.000 1.064 120 S HN 0.662 nan 8.310 nan 0.000 0.508 121 N N 1.947 120.602 118.700 -0.075 0.000 2.188 121 N HA -0.040 4.804 4.740 0.172 0.000 0.184 121 N C 1.062 176.430 175.510 -0.237 0.000 1.018 121 N CA 1.149 54.129 53.050 -0.117 0.000 0.858 121 N CB -0.640 37.791 38.487 -0.093 0.000 0.989 121 N HN 0.805 nan 8.380 nan 0.000 0.426 122 G N -0.584 108.067 108.800 -0.248 0.000 2.481 122 G HA2 0.024 4.087 3.960 0.172 0.000 0.251 122 G HA3 0.024 4.087 3.960 0.172 0.000 0.251 122 G C -0.105 174.487 174.900 -0.513 0.000 1.492 122 G CA -0.056 44.783 45.100 -0.435 0.000 1.060 122 G HN 0.327 nan 8.290 nan 0.000 0.553 123 Y N 0.097 120.402 120.300 0.008 0.000 2.555 123 Y HA 0.283 4.938 4.550 0.175 0.000 0.259 123 Y C 0.877 176.763 175.900 -0.023 0.000 1.179 123 Y CA -0.508 57.591 58.100 -0.002 0.000 1.230 123 Y CB 0.155 38.610 38.460 -0.008 0.000 1.146 123 Y HN 0.175 nan 8.280 nan 0.000 0.526 124 E N 1.195 121.437 120.200 0.070 0.000 2.413 124 E HA 0.154 4.607 4.350 0.172 0.000 0.263 124 E C -0.468 176.143 176.600 0.019 0.000 1.015 124 E CA 0.049 56.475 56.400 0.044 0.000 0.916 124 E CB 2.009 31.730 29.700 0.036 0.000 0.947 124 E HN -0.083 nan 8.360 nan 0.000 0.440 125 V N 3.058 122.985 119.914 0.021 0.000 2.495 125 V HA 0.154 4.378 4.120 0.172 0.000 0.298 125 V C 0.379 176.502 176.094 0.049 0.000 1.031 125 V CA -0.897 61.401 62.300 -0.005 0.000 0.871 125 V CB 1.841 33.622 31.823 -0.070 0.000 0.988 125 V HN 0.534 nan 8.190 nan 0.000 0.432 126 K N 3.599 123.982 120.400 -0.028 0.000 2.412 126 K HA 0.206 4.629 4.320 0.172 0.000 0.281 126 K C -0.124 176.383 176.600 -0.156 0.000 1.027 126 K CA -0.594 55.649 56.287 -0.074 0.000 0.989 126 K CB 0.588 33.050 32.500 -0.063 0.000 0.935 126 K HN 0.556 nan 8.250 nan 0.000 0.475 127 L N 4.597 125.619 121.223 -0.336 0.000 2.678 127 L HA -0.146 4.297 4.340 0.172 0.000 0.285 127 L C -0.054 176.671 176.870 -0.242 0.000 1.233 127 L CA 1.530 56.044 54.840 -0.542 0.000 0.920 127 L CB -0.185 41.597 42.059 -0.462 0.000 1.176 127 L HN 0.957 nan 8.230 nan 0.000 0.495 128 S N 0.928 116.534 115.700 -0.155 0.000 3.127 128 S HA -0.247 4.327 4.470 0.172 0.000 0.281 128 S C 1.245 175.742 174.600 -0.172 0.000 1.293 128 S CA 1.261 59.402 58.200 -0.098 0.000 1.156 128 S CB -2.194 60.979 63.200 -0.045 0.000 1.389 128 S HN 1.107 nan 8.310 nan 0.000 0.672 129 S N 0.259 115.849 115.700 -0.183 0.000 2.561 129 S HA 0.093 4.667 4.470 0.172 0.000 0.225 129 S C 0.731 175.100 174.600 -0.385 0.000 0.977 129 S CA -0.068 58.012 58.200 -0.200 0.000 0.926 129 S CB 0.042 63.169 63.200 -0.120 0.000 0.769 129 S HN 0.436 nan 8.310 nan 0.000 0.533 130 R N 1.680 121.841 120.500 -0.565 0.000 2.748 130 R HA 0.309 4.753 4.340 0.172 0.000 0.283 130 R C -2.495 173.032 176.300 -1.288 0.000 1.507 130 R CA -1.621 53.849 56.100 -1.050 0.000 1.666 130 R CB 0.705 30.666 30.300 -0.567 0.000 1.237 130 R HN 0.330 nan 8.270 nan 0.000 0.633 131 P HA -0.075 nan 4.420 nan 0.000 0.242 131 P C 0.440 177.452 177.300 -0.480 0.000 1.197 131 P CA 0.455 63.149 63.100 -0.677 0.000 0.765 131 P CB 0.001 31.444 31.700 -0.429 0.000 0.936 132 W N -1.752 119.493 121.300 -0.092 0.000 3.003 132 W HA 0.282 5.044 4.660 0.170 0.000 0.257 132 W C 0.656 177.156 176.519 -0.031 0.000 1.308 132 W CA -0.459 56.833 57.345 -0.088 0.000 1.529 132 W CB -1.294 28.099 29.460 -0.112 0.000 1.115 132 W HN -0.307 nan 8.180 nan 0.000 0.659 133 M N 2.078 121.655 119.600 -0.038 0.000 2.252 133 M HA 0.304 4.887 4.480 0.172 0.000 0.348 133 M C 0.117 176.502 176.300 0.143 0.000 1.334 133 M CA -0.322 55.057 55.300 0.133 0.000 1.071 133 M CB -0.335 32.330 32.600 0.109 0.000 1.763 133 M HN 0.154 nan 8.290 nan 0.000 0.452 134 A N 5.107 128.005 122.820 0.131 0.000 2.374 134 A HA 0.883 5.306 4.320 0.172 0.000 0.317 134 A C -0.947 176.578 177.584 -0.098 0.000 1.094 134 A CA -0.759 51.276 52.037 -0.002 0.000 0.765 134 A CB 1.331 20.336 19.000 0.008 0.000 1.268 134 A HN 0.823 nan 8.150 nan 0.000 0.438 135 L N 1.901 122.925 121.223 -0.333 0.000 2.333 135 L HA 0.440 4.883 4.340 0.172 0.000 0.280 135 L C -1.230 175.484 176.870 -0.261 0.000 1.004 135 L CA -0.746 53.767 54.840 -0.545 0.000 0.820 135 L CB 1.672 42.854 42.059 -1.461 0.000 1.247 135 L HN 0.535 nan 8.230 nan 0.000 0.416 136 L N 4.330 125.544 121.223 -0.015 0.000 2.264 136 L HA 0.447 4.890 4.340 0.172 0.000 0.289 136 L C 0.098 177.102 176.870 0.223 0.000 1.044 136 L CA 0.151 55.019 54.840 0.047 0.000 0.807 136 L CB 1.157 43.258 42.059 0.071 0.000 1.192 136 L HN 0.464 nan 8.230 nan 0.000 0.425 137 R N 2.549 123.037 120.500 -0.021 0.000 2.346 137 R HA 0.540 4.983 4.340 0.172 0.000 0.311 137 R C -1.548 174.596 176.300 -0.261 0.000 0.983 137 R CA -0.579 55.473 56.100 -0.081 0.000 0.880 137 R CB 0.925 31.020 30.300 -0.342 0.000 1.100 137 R HN 0.414 nan 8.270 nan 0.000 0.453 138 Y N 2.022 122.370 120.300 0.081 0.000 2.391 138 Y HA 0.179 4.834 4.550 0.176 0.000 0.341 138 Y C -0.352 175.646 175.900 0.163 0.000 0.965 138 Y CA -0.863 57.333 58.100 0.160 0.000 1.067 138 Y CB 2.156 40.642 38.460 0.044 0.000 1.199 138 Y HN 0.436 nan 8.280 nan 0.000 0.450 139 Q N 2.751 122.683 119.800 0.221 0.000 2.398 139 Q HA 0.485 4.928 4.340 0.172 0.000 0.251 139 Q C -0.962 174.964 176.000 -0.123 0.000 0.999 139 Q CA -0.497 55.260 55.803 -0.077 0.000 0.874 139 Q CB 1.791 30.249 28.738 -0.467 0.000 1.215 139 Q HN 0.830 nan 8.270 nan 0.000 0.470 140 Q N 1.447 121.129 119.800 -0.197 0.000 2.489 140 Q HA 0.265 4.708 4.340 0.172 0.000 0.202 140 Q C -0.482 175.279 176.000 -0.399 0.000 0.853 140 Q CA -0.497 55.042 55.803 -0.439 0.000 0.539 140 Q CB 0.448 28.707 28.738 -0.797 0.000 3.308 140 Q HN 0.654 nan 8.270 nan 0.000 0.362 141 F N 1.733 121.680 119.950 -0.004 0.000 2.626 141 F HA 0.257 4.883 4.527 0.165 0.000 0.374 141 F C 1.256 177.045 175.800 -0.019 0.000 1.184 141 F CA 0.700 58.694 58.000 -0.011 0.000 1.339 141 F CB -0.878 38.117 39.000 -0.009 0.000 1.730 141 F HN 0.649 nan 8.300 nan 0.000 0.650 142 G N -0.742 108.086 108.800 0.045 0.000 2.257 142 G HA2 -0.280 3.784 3.960 0.172 0.000 0.267 142 G HA3 -0.280 3.784 3.960 0.172 0.000 0.267 142 G C 0.479 175.373 174.900 -0.009 0.000 0.984 142 G CA 0.472 45.578 45.100 0.010 0.000 0.626 142 G HN 0.407 nan 8.290 nan 0.000 0.540 143 E N -0.294 119.909 120.200 0.005 0.000 2.396 143 E HA 0.735 5.188 4.350 0.172 0.000 0.251 143 E C 0.082 176.668 176.600 -0.023 0.000 0.949 143 E CA 0.060 56.459 56.400 -0.003 0.000 0.834 143 E CB 1.605 31.325 29.700 0.033 0.000 1.309 143 E HN 0.710 nan 8.360 nan 0.000 0.405 144 S N -0.125 115.566 115.700 -0.015 0.000 2.541 144 S HA 0.827 5.400 4.470 0.172 0.000 0.280 144 S C -0.519 174.045 174.600 -0.061 0.000 1.112 144 S CA -0.893 57.313 58.200 0.010 0.000 0.925 144 S CB 2.120 65.377 63.200 0.095 0.000 1.067 144 S HN 0.416 nan 8.310 nan 0.000 0.479 145 R N 0.585 121.056 120.500 -0.049 0.000 2.707 145 R HA 0.486 4.930 4.340 0.172 0.000 0.272 145 R C -1.688 174.579 176.300 -0.055 0.000 1.011 145 R CA -0.776 55.259 56.100 -0.108 0.000 0.893 145 R CB 1.156 31.462 30.300 0.010 0.000 1.233 145 R HN 0.569 nan 8.270 nan 0.000 0.464 146 F N 2.353 122.341 119.950 0.063 0.000 2.445 146 F HA 0.256 4.884 4.527 0.168 0.000 0.359 146 F C 1.132 176.987 175.800 0.091 0.000 1.101 146 F CA -0.380 57.662 58.000 0.070 0.000 1.177 146 F CB 0.599 39.561 39.000 -0.064 0.000 1.110 146 F HN 0.316 nan 8.300 nan 0.000 0.522 147 L N 2.165 123.597 121.223 0.348 0.000 2.966 147 L HA 0.309 4.753 4.340 0.172 0.000 0.262 147 L C -0.240 176.688 176.870 0.096 0.000 1.165 147 L CA 0.304 55.177 54.840 0.055 0.000 0.978 147 L CB 0.402 42.238 42.059 -0.371 0.000 1.337 147 L HN 0.564 nan 8.230 nan 0.000 0.563 148 c N -1.282 117.475 118.600 0.262 0.000 3.321 148 c HA 0.788 5.461 4.570 0.172 0.000 0.329 148 c C 0.542 174.719 174.090 0.145 0.000 1.394 148 c CA -0.755 55.689 56.329 0.192 0.000 1.291 148 c CB 1.437 44.081 42.510 0.223 0.000 1.606 148 c HN 0.407 nan 8.230 nan 0.000 0.463 149 G N -0.495 108.370 108.800 0.108 0.000 3.075 149 G HA2 0.892 4.956 3.960 0.172 0.000 0.253 149 G HA3 0.892 4.956 3.960 0.172 0.000 0.253 149 G C -0.374 174.568 174.900 0.070 0.000 1.353 149 G CA 0.059 45.217 45.100 0.095 0.000 1.051 149 G HN 1.602 nan 8.290 nan 0.000 0.553 150 G N -2.480 106.372 108.800 0.086 0.000 2.321 150 G HA2 0.660 4.724 3.960 0.172 0.000 0.296 150 G HA3 0.660 4.724 3.960 0.172 0.000 0.296 150 G C -1.620 173.346 174.900 0.110 0.000 1.287 150 G CA 0.378 45.523 45.100 0.074 0.000 0.846 150 G HN 1.828 nan 8.290 nan 0.000 0.508 151 A N -0.357 122.527 122.820 0.106 0.000 2.455 151 A HA 0.751 5.174 4.320 0.172 0.000 0.300 151 A C -0.247 177.415 177.584 0.130 0.000 1.040 151 A CA -0.336 51.792 52.037 0.151 0.000 0.697 151 A CB 1.716 20.806 19.000 0.150 0.000 1.265 151 A HN 1.464 nan 8.150 nan 0.000 0.407 152 M N 3.389 123.085 119.600 0.160 0.000 2.238 152 M HA 0.279 4.863 4.480 0.172 0.000 0.350 152 M C 0.359 176.737 176.300 0.130 0.000 1.321 152 M CA 0.413 55.803 55.300 0.150 0.000 1.097 152 M CB 0.065 32.749 32.600 0.140 0.000 1.713 152 M HN 0.740 nan 8.290 nan 0.000 0.455 153 I N 0.899 121.581 120.570 0.185 0.000 4.288 153 I HA 0.367 4.640 4.170 0.172 0.000 0.331 153 I C 0.060 176.443 176.117 0.442 0.000 1.322 153 I CA -0.142 61.277 61.300 0.199 0.000 1.149 153 I CB 0.385 38.469 38.000 0.141 0.000 1.112 153 I HN 0.665 nan 8.210 nan 0.000 0.403 154 S N 0.381 116.376 115.700 0.491 0.000 2.655 154 S HA 0.202 4.775 4.470 0.172 0.000 0.266 154 S C 0.450 175.409 174.600 0.599 0.000 1.149 154 S CA -0.105 58.507 58.200 0.687 0.000 0.818 154 S CB 0.955 64.506 63.200 0.585 0.000 1.130 154 S HN 0.387 nan 8.310 nan 0.000 0.476 155 E N 0.323 120.835 120.200 0.522 0.000 2.333 155 E HA -0.041 4.413 4.350 0.172 0.000 0.198 155 E C 1.350 178.029 176.600 0.133 0.000 1.007 155 E CA 0.617 57.158 56.400 0.235 0.000 0.845 155 E CB -0.143 29.486 29.700 -0.118 0.000 0.766 155 E HN 0.558 nan 8.360 nan 0.000 0.507 156 R N -0.897 119.687 120.500 0.140 0.000 2.531 156 R HA 0.230 4.673 4.340 0.172 0.000 0.316 156 R C -0.857 175.270 176.300 -0.288 0.000 0.955 156 R CA -0.151 55.901 56.100 -0.081 0.000 1.120 156 R CB 0.792 30.999 30.300 -0.154 0.000 1.361 156 R HN 0.083 nan 8.270 nan 0.000 0.534 157 Y N 0.066 120.420 120.300 0.090 0.000 2.442 157 Y HA 0.421 5.073 4.550 0.170 0.000 0.344 157 Y C -0.247 175.700 175.900 0.080 0.000 0.976 157 Y CA -1.096 57.045 58.100 0.067 0.000 1.040 157 Y CB 1.764 40.269 38.460 0.075 0.000 1.228 157 Y HN -0.214 nan 8.280 nan 0.000 0.451 158 I N 4.392 125.070 120.570 0.180 0.000 2.433 158 I HA 0.286 4.559 4.170 0.172 0.000 0.292 158 I C -0.858 175.345 176.117 0.142 0.000 1.001 158 I CA -0.990 60.386 61.300 0.126 0.000 1.119 158 I CB 1.504 39.531 38.000 0.046 0.000 1.289 158 I HN 0.410 nan 8.210 nan 0.000 0.438 159 L N 6.011 127.307 121.223 0.122 0.000 2.282 159 L HA 0.701 5.145 4.340 0.172 0.000 0.288 159 L C 0.022 176.930 176.870 0.063 0.000 1.033 159 L CA 0.737 55.643 54.840 0.110 0.000 0.807 159 L CB 1.413 43.529 42.059 0.095 0.000 1.209 159 L HN 0.810 nan 8.230 nan 0.000 0.423 160 T N 3.054 117.630 114.554 0.036 0.000 2.647 160 T HA 0.834 5.287 4.350 0.172 0.000 0.295 160 T C -1.186 173.450 174.700 -0.106 0.000 1.126 160 T CA -0.040 62.044 62.100 -0.026 0.000 1.040 160 T CB 1.138 69.992 68.868 -0.023 0.000 1.472 160 T HN 0.865 nan 8.240 nan 0.000 0.500 161 A N 0.387 123.073 122.820 -0.223 0.000 2.293 161 A HA 0.740 5.164 4.320 0.172 0.000 0.302 161 A C 1.475 178.809 177.584 -0.416 0.000 1.119 161 A CA 0.229 52.050 52.037 -0.361 0.000 0.823 161 A CB 0.310 18.957 19.000 -0.588 0.000 1.097 161 A HN 1.190 nan 8.150 nan 0.000 0.491 162 A N 0.683 123.208 122.820 -0.492 0.000 2.019 162 A HA -0.144 4.279 4.320 0.172 0.000 0.219 162 A C 1.745 178.975 177.584 -0.590 0.000 1.164 162 A CA 1.741 53.381 52.037 -0.662 0.000 0.644 162 A CB -1.036 17.197 19.000 -1.279 0.000 0.805 162 A HN 1.074 nan 8.150 nan 0.000 0.449 163 H N -2.032 116.821 119.070 -0.362 0.000 2.521 163 H HA -0.065 4.580 4.556 0.148 0.000 0.286 163 H C 1.597 176.934 175.328 0.015 0.000 1.034 163 H CA 1.363 57.375 56.048 -0.060 0.000 1.278 163 H CB -0.590 29.191 29.762 0.032 0.000 1.386 163 H HN 0.428 nan 8.280 nan 0.000 0.567 164 c N 0.850 119.267 118.600 -0.305 0.000 2.514 164 c HA 0.118 4.792 4.570 0.172 0.000 0.271 164 c C 2.532 176.719 174.090 0.162 0.000 1.399 164 c CA 0.209 56.525 56.329 -0.020 0.000 1.765 164 c CB -0.288 42.181 42.510 -0.069 0.000 1.893 164 c HN 0.516 nan 8.230 nan 0.000 0.531 165 V N -2.098 117.863 119.914 0.078 0.000 3.090 165 V HA 0.106 4.329 4.120 0.172 0.000 0.237 165 V C 0.973 177.143 176.094 0.128 0.000 1.209 165 V CA 0.106 62.485 62.300 0.132 0.000 1.209 165 V CB -0.776 31.113 31.823 0.109 0.000 0.971 165 V HN 0.517 nan 8.190 nan 0.000 0.477 166 H N 1.842 120.927 119.070 0.024 0.000 3.107 166 H HA 0.169 4.777 4.556 0.087 0.000 0.301 166 H C 1.422 176.814 175.328 0.106 0.000 0.981 166 H CA 1.383 57.486 56.048 0.091 0.000 1.443 166 H CB 0.436 30.324 29.762 0.209 0.000 1.479 166 H HN 0.517 nan 8.280 nan 0.000 0.564 167 G N 4.542 113.136 108.800 -0.344 0.000 2.166 167 G HA2 -0.259 3.804 3.960 0.172 0.000 0.260 167 G HA3 -0.259 3.804 3.960 0.172 0.000 0.260 167 G C 0.680 175.536 174.900 -0.074 0.000 0.986 167 G CA 0.607 45.570 45.100 -0.228 0.000 0.683 167 G HN 0.645 nan 8.290 nan 0.000 0.527 168 L N -0.989 120.216 121.223 -0.031 0.000 3.069 168 L HA 0.245 4.689 4.340 0.172 0.000 0.271 168 L C 2.201 179.042 176.870 -0.049 0.000 1.201 168 L CA 0.060 54.923 54.840 0.038 0.000 1.015 168 L CB 0.452 42.631 42.059 0.200 0.000 1.371 168 L HN 0.114 nan 8.230 nan 0.000 0.574 169 Q N 0.419 120.088 119.800 -0.219 0.000 2.152 169 Q HA -0.173 4.271 4.340 0.172 0.000 0.206 169 Q C 1.716 177.515 176.000 -0.335 0.000 0.985 169 Q CA 1.627 57.096 55.803 -0.556 0.000 0.863 169 Q CB -0.134 28.253 28.738 -0.584 0.000 0.904 169 Q HN 0.415 nan 8.270 nan 0.000 0.422 170 N N -0.025 118.582 118.700 -0.155 0.000 2.354 170 N HA -0.077 4.766 4.740 0.172 0.000 0.179 170 N C 0.555 176.043 175.510 -0.037 0.000 1.021 170 N CA 1.020 54.022 53.050 -0.081 0.000 0.887 170 N CB 0.103 38.549 38.487 -0.069 0.000 0.974 170 N HN 0.270 nan 8.380 nan 0.000 0.437 171 D N 0.359 120.760 120.400 0.001 0.000 2.197 171 D HA -0.000 4.743 4.640 0.172 0.000 0.212 171 D C 0.567 176.943 176.300 0.127 0.000 0.963 171 D CA 0.066 54.110 54.000 0.074 0.000 0.864 171 D CB -0.184 40.703 40.800 0.145 0.000 1.009 171 D HN 0.068 nan 8.370 nan 0.000 0.479 172 L N 2.150 123.387 121.223 0.024 0.000 2.485 172 L HA 0.057 4.500 4.340 0.172 0.000 0.279 172 L C -0.046 176.860 176.870 0.060 0.000 1.124 172 L CA 0.125 54.827 54.840 -0.230 0.000 0.888 172 L CB -0.185 41.733 42.059 -0.235 0.000 1.217 172 L HN 0.104 nan 8.230 nan 0.000 0.464 173 Y N 1.952 122.160 120.300 -0.154 0.000 2.425 173 Y HA 0.560 5.211 4.550 0.168 0.000 0.261 173 Y C 0.221 176.075 175.900 -0.076 0.000 1.084 173 Y CA -0.602 57.458 58.100 -0.066 0.000 1.248 173 Y CB 0.088 38.514 38.460 -0.057 0.000 1.270 173 Y HN 0.520 nan 8.280 nan 0.000 0.524 174 E N 0.730 120.491 120.200 -0.732 0.000 2.408 174 E HA 0.543 4.996 4.350 0.172 0.000 0.275 174 E C -1.596 174.810 176.600 -0.322 0.000 0.935 174 E CA -1.018 55.063 56.400 -0.531 0.000 0.775 174 E CB 2.571 31.836 29.700 -0.725 0.000 1.277 174 E HN -0.028 nan 8.360 nan 0.000 0.455 175 I N 1.775 122.229 120.570 -0.194 0.000 2.509 175 I HA 0.414 4.687 4.170 0.172 0.000 0.293 175 I C -0.297 175.763 176.117 -0.094 0.000 1.020 175 I CA -0.589 60.634 61.300 -0.128 0.000 1.088 175 I CB 1.627 39.557 38.000 -0.115 0.000 1.267 175 I HN 0.466 nan 8.210 nan 0.000 0.430 176 R N 6.017 126.445 120.500 -0.120 0.000 2.387 176 R HA 0.760 5.203 4.340 0.172 0.000 0.314 176 R C -1.688 174.504 176.300 -0.180 0.000 0.958 176 R CA -0.496 55.521 56.100 -0.139 0.000 0.846 176 R CB 1.258 31.456 30.300 -0.171 0.000 1.147 176 R HN 0.596 nan 8.270 nan 0.000 0.447 177 L N 2.972 124.122 121.223 -0.121 0.000 2.333 177 L HA 0.536 4.980 4.340 0.172 0.000 0.269 177 L C 0.900 177.677 176.870 -0.155 0.000 1.010 177 L CA -0.313 54.454 54.840 -0.122 0.000 0.818 177 L CB 2.143 44.145 42.059 -0.096 0.000 1.306 177 L HN 0.996 nan 8.230 nan 0.000 0.430 178 G N 0.950 109.636 108.800 -0.190 0.000 2.136 178 G HA2 -0.248 3.816 3.960 0.172 0.000 0.242 178 G HA3 -0.248 3.816 3.960 0.172 0.000 0.242 178 G C -0.028 174.914 174.900 0.071 0.000 0.989 178 G CA 0.128 45.089 45.100 -0.232 0.000 0.682 178 G HN 0.600 nan 8.290 nan 0.000 0.522 179 E N -0.824 119.417 120.200 0.069 0.000 2.373 179 E HA 0.638 5.092 4.350 0.172 0.000 0.263 179 E C 0.878 177.713 176.600 0.391 0.000 1.073 179 E CA -0.165 56.321 56.400 0.143 0.000 0.894 179 E CB 0.707 30.323 29.700 -0.141 0.000 1.008 179 E HN 0.455 nan 8.360 nan 0.000 0.420 180 H N 1.998 121.235 119.070 0.279 0.000 1.985 180 H HA 0.370 5.030 4.556 0.173 0.000 0.159 180 H C -0.383 175.163 175.328 0.364 0.000 1.010 180 H CA -0.019 56.196 56.048 0.278 0.000 1.075 180 H CB 0.438 30.271 29.762 0.119 0.000 0.963 180 H HN 0.327 nan 8.280 nan 0.000 0.330 181 R N 1.179 121.816 120.500 0.229 0.000 2.310 181 R HA 0.305 4.749 4.340 0.172 0.000 0.324 181 R C 0.306 176.682 176.300 0.127 0.000 0.955 181 R CA -0.186 56.011 56.100 0.161 0.000 0.830 181 R CB 0.506 30.900 30.300 0.157 0.000 1.154 181 R HN 0.422 nan 8.270 nan 0.000 0.458 182 I N 2.064 122.686 120.570 0.085 0.000 2.226 182 I HA -0.310 3.963 4.170 0.172 0.000 0.245 182 I C 2.149 178.303 176.117 0.062 0.000 1.100 182 I CA 1.754 63.068 61.300 0.022 0.000 1.374 182 I CB -0.194 37.788 38.000 -0.030 0.000 1.057 182 I HN 0.704 nan 8.210 nan 0.000 0.413 183 S N -0.359 115.382 115.700 0.068 0.000 2.447 183 S HA -0.082 4.491 4.470 0.172 0.000 0.233 183 S C 1.091 175.724 174.600 0.055 0.000 1.006 183 S CA 0.768 59.003 58.200 0.058 0.000 0.957 183 S CB -1.099 62.135 63.200 0.056 0.000 0.773 183 S HN 0.539 nan 8.310 nan 0.000 0.507 184 T N -0.962 113.631 114.554 0.065 0.000 2.794 184 T HA 0.503 4.956 4.350 0.172 0.000 0.280 184 T C 0.342 175.079 174.700 0.060 0.000 0.987 184 T CA -0.753 61.383 62.100 0.060 0.000 0.993 184 T CB 1.963 70.871 68.868 0.067 0.000 0.939 184 T HN 0.240 nan 8.240 nan 0.000 0.449 185 E N 1.483 121.711 120.200 0.048 0.000 2.208 185 E HA -0.050 4.403 4.350 0.172 0.000 0.193 185 E C -0.018 176.608 176.600 0.044 0.000 0.988 185 E CA 0.735 57.162 56.400 0.045 0.000 0.828 185 E CB 0.300 30.021 29.700 0.034 0.000 0.763 185 E HN 0.776 nan 8.360 nan 0.000 0.478 186 E N 1.049 121.273 120.200 0.040 0.000 2.145 186 E HA 0.204 4.657 4.350 0.172 0.000 0.270 186 E C -1.461 175.166 176.600 0.045 0.000 0.906 186 E CA -0.548 55.871 56.400 0.031 0.000 0.761 186 E CB 1.576 31.287 29.700 0.018 0.000 1.116 186 E HN 0.017 nan 8.360 nan 0.000 0.408 187 D N 2.975 123.402 120.400 0.045 0.000 2.440 187 D HA 0.295 5.039 4.640 0.172 0.000 0.239 187 D C -0.834 175.468 176.300 0.003 0.000 1.084 187 D CA -0.305 53.732 54.000 0.061 0.000 0.843 187 D CB 0.763 41.637 40.800 0.123 0.000 1.097 187 D HN 0.317 nan 8.370 nan 0.000 0.531 188 c N 1.862 120.462 118.600 -0.001 0.000 2.913 188 c HA 0.854 5.527 4.570 0.172 0.000 0.322 188 c C 0.052 174.119 174.090 -0.038 0.000 1.292 188 c CA -1.051 55.262 56.329 -0.027 0.000 1.649 188 c CB 2.043 44.545 42.510 -0.014 0.000 2.139 188 c HN 0.675 nan 8.230 nan 0.000 0.475 189 R N 0.621 121.093 120.500 -0.045 0.000 2.774 189 R HA 0.599 5.043 4.340 0.172 0.000 0.272 189 R C -1.197 175.085 176.300 -0.029 0.000 1.000 189 R CA -0.548 55.526 56.100 -0.043 0.000 0.906 189 R CB 1.286 31.545 30.300 -0.068 0.000 1.227 189 R HN 0.801 nan 8.270 nan 0.000 0.468 190 Q N 1.525 121.312 119.800 -0.021 0.000 2.313 190 Q HA -0.001 4.442 4.340 0.172 0.000 0.266 190 Q C -0.965 175.024 176.000 -0.019 0.000 0.989 190 Q CA 0.166 55.960 55.803 -0.016 0.000 0.890 190 Q CB 0.912 29.644 28.738 -0.010 0.000 1.200 190 Q HN 0.610 nan 8.270 nan 0.000 0.396 191 Q N 3.726 123.516 119.800 -0.017 0.000 2.490 191 Q HA 0.406 4.849 4.340 0.172 0.000 0.255 191 Q C -0.015 175.978 176.000 -0.012 0.000 0.997 191 Q CA 0.282 56.075 55.803 -0.017 0.000 0.709 191 Q CB 0.731 29.457 28.738 -0.020 0.000 1.255 191 Q HN 1.003 nan 8.270 nan 0.000 0.486 192 G N 3.247 112.041 108.800 -0.010 0.000 2.565 192 G HA2 -0.384 3.679 3.960 0.172 0.000 0.295 192 G HA3 -0.384 3.679 3.960 0.172 0.000 0.295 192 G C 0.338 175.235 174.900 -0.006 0.000 1.165 192 G CA 0.343 45.438 45.100 -0.008 0.000 0.977 192 G HN 0.624 nan 8.290 nan 0.000 0.546 193 R N 0.901 121.398 120.500 -0.006 0.000 2.427 193 R HA 0.372 4.816 4.340 0.172 0.000 0.262 193 R C 0.908 177.205 176.300 -0.005 0.000 0.943 193 R CA 0.378 56.475 56.100 -0.004 0.000 1.081 193 R CB 0.251 30.549 30.300 -0.003 0.000 1.166 193 R HN 0.430 nan 8.270 nan 0.000 0.534 194 K N 0.059 120.455 120.400 -0.007 0.000 2.126 194 K HA 0.372 4.796 4.320 0.172 0.000 0.245 194 K C -0.969 175.625 176.600 -0.010 0.000 1.068 194 K CA -0.924 55.359 56.287 -0.007 0.000 0.877 194 K CB 1.571 34.066 32.500 -0.008 0.000 1.406 194 K HN -0.154 nan 8.250 nan 0.000 0.490 195 K N 0.821 121.214 120.400 -0.012 0.000 2.426 195 K HA 0.497 4.921 4.320 0.172 0.000 0.251 195 K C -1.445 175.143 176.600 -0.021 0.000 0.941 195 K CA -1.011 55.267 56.287 -0.015 0.000 0.808 195 K CB 2.163 34.656 32.500 -0.012 0.000 1.265 195 K HN 0.192 nan 8.250 nan 0.000 0.432 196 K N 2.087 122.470 120.400 -0.029 0.000 2.358 196 K HA 0.376 4.800 4.320 0.172 0.000 0.260 196 K C -1.473 175.099 176.600 -0.047 0.000 0.956 196 K CA -0.393 55.872 56.287 -0.037 0.000 0.834 196 K CB 1.207 33.684 32.500 -0.039 0.000 1.102 196 K HN 0.800 nan 8.250 nan 0.000 0.431 197 c N 3.190 121.760 118.600 -0.050 0.000 2.366 197 c HA 0.797 5.471 4.570 0.172 0.000 0.345 197 c C 0.566 174.602 174.090 -0.090 0.000 1.209 197 c CA -1.080 55.214 56.329 -0.057 0.000 2.050 197 c CB 0.690 43.175 42.510 -0.041 0.000 2.359 197 c HN 0.950 nan 8.230 nan 0.000 0.527 198 A N 3.102 125.858 122.820 -0.106 0.000 2.346 198 A HA 0.595 5.019 4.320 0.172 0.000 0.252 198 A C -2.232 175.195 177.584 -0.263 0.000 1.089 198 A CA -0.592 51.333 52.037 -0.188 0.000 0.797 198 A CB -0.585 18.338 19.000 -0.128 0.000 1.047 198 A HN 0.745 nan 8.150 nan 0.000 0.494 199 P HA 0.293 nan 4.420 nan 0.000 0.273 199 P C -2.478 174.679 177.300 -0.239 0.000 1.250 199 P CA -0.961 61.904 63.100 -0.392 0.000 0.793 199 P CB -0.475 30.928 31.700 -0.494 0.000 1.011 200 P HA -0.031 nan 4.420 nan 0.000 0.268 200 P C -0.403 177.029 177.300 0.220 0.000 1.208 200 P CA -0.096 63.044 63.100 0.067 0.000 0.777 200 P CB 0.094 31.824 31.700 0.050 0.000 0.875 201 V N 0.585 120.601 119.914 0.169 0.000 3.237 201 V HA 0.208 4.431 4.120 0.172 0.000 0.305 201 V C -0.084 176.064 176.094 0.089 0.000 1.096 201 V CA -0.200 62.186 62.300 0.143 0.000 1.130 201 V CB 0.480 32.343 31.823 0.066 0.000 1.048 201 V HN 0.173 nan 8.190 nan 0.000 0.484 202 V N 3.119 123.049 119.914 0.027 0.000 2.417 202 V HA 0.468 4.692 4.120 0.172 0.000 0.291 202 V C -0.217 175.868 176.094 -0.014 0.000 1.024 202 V CA -0.587 61.718 62.300 0.008 0.000 0.861 202 V CB 1.275 33.093 31.823 -0.008 0.000 0.985 202 V HN 0.998 nan 8.190 nan 0.000 0.436 203 N N 3.556 122.251 118.700 -0.007 0.000 2.446 203 N HA 0.544 5.388 4.740 0.172 0.000 0.265 203 N C -1.075 174.414 175.510 -0.036 0.000 0.975 203 N CA -0.096 52.941 53.050 -0.022 0.000 0.928 203 N CB 2.424 40.908 38.487 -0.005 0.000 1.160 203 N HN 0.448 nan 8.380 nan 0.000 0.495 204 V N 0.949 120.827 119.914 -0.061 0.000 2.914 204 V HA 0.797 5.020 4.120 0.172 0.000 0.314 204 V C 0.378 176.417 176.094 -0.092 0.000 1.084 204 V CA -0.505 61.757 62.300 -0.064 0.000 0.963 204 V CB 1.927 33.715 31.823 -0.058 0.000 1.025 204 V HN 0.660 nan 8.190 nan 0.000 0.432 205 G N 4.056 112.812 108.800 -0.074 0.000 2.557 205 G HA2 0.611 4.674 3.960 0.172 0.000 0.292 205 G HA3 0.611 4.674 3.960 0.172 0.000 0.292 205 G C -0.870 173.965 174.900 -0.110 0.000 1.237 205 G CA -0.640 44.416 45.100 -0.075 0.000 0.978 205 G HN 0.745 nan 8.290 nan 0.000 0.498 206 I N -0.165 120.336 120.570 -0.115 0.000 2.410 206 I HA 0.237 4.511 4.170 0.172 0.000 0.286 206 I C 1.040 177.060 176.117 -0.160 0.000 1.009 206 I CA -0.328 60.850 61.300 -0.204 0.000 1.111 206 I CB 2.433 40.217 38.000 -0.359 0.000 1.262 206 I HN 0.762 nan 8.210 nan 0.000 0.443 207 E N 5.668 125.771 120.200 -0.163 0.000 2.086 207 E HA 0.072 4.525 4.350 0.172 0.000 0.190 207 E C -0.019 176.532 176.600 -0.081 0.000 0.975 207 E CA 0.955 57.296 56.400 -0.099 0.000 0.813 207 E CB 0.590 30.228 29.700 -0.103 0.000 0.768 207 E HN 0.506 nan 8.360 nan 0.000 0.457 208 K N -0.083 120.227 120.400 -0.151 0.000 2.468 208 K HA 0.340 4.763 4.320 0.172 0.000 0.252 208 K C -1.643 174.862 176.600 -0.157 0.000 0.932 208 K CA -0.620 55.627 56.287 -0.066 0.000 0.794 208 K CB 1.754 34.244 32.500 -0.017 0.000 1.241 208 K HN 0.015 nan 8.250 nan 0.000 0.428 209 H N 2.092 121.177 119.070 0.025 0.000 2.661 209 H HA 0.291 4.952 4.556 0.174 0.000 0.290 209 H C -0.873 174.505 175.328 0.084 0.000 1.082 209 H CA -0.415 55.659 56.048 0.043 0.000 1.234 209 H CB 0.371 30.150 29.762 0.029 0.000 1.387 209 H HN 0.164 nan 8.280 nan 0.000 0.476 210 L N 5.395 126.734 121.223 0.193 0.000 2.335 210 L HA 0.376 4.819 4.340 0.172 0.000 0.268 210 L C -0.413 176.657 176.870 0.333 0.000 1.037 210 L CA -0.301 54.678 54.840 0.232 0.000 0.895 210 L CB 0.237 42.404 42.059 0.180 0.000 1.266 210 L HN 0.493 nan 8.230 nan 0.000 0.439 211 I N 1.038 121.775 120.570 0.278 0.000 2.428 211 I HA 0.127 4.401 4.170 0.172 0.000 0.289 211 I C 0.679 176.953 176.117 0.261 0.000 1.019 211 I CA -0.548 60.883 61.300 0.218 0.000 1.351 211 I CB 0.729 38.840 38.000 0.185 0.000 1.412 211 I HN 0.439 nan 8.210 nan 0.000 0.513 212 H N 4.328 123.343 119.070 -0.091 0.000 3.094 212 H HA -0.075 4.583 4.556 0.169 0.000 0.320 212 H C 0.802 176.130 175.328 -0.001 0.000 1.000 212 H CA 0.397 56.239 56.048 -0.345 0.000 1.413 212 H CB 0.754 30.092 29.762 -0.706 0.000 1.405 212 H HN 0.572 nan 8.280 nan 0.000 0.586 213 E N 3.316 123.483 120.200 -0.055 0.000 2.209 213 E HA -0.161 4.292 4.350 0.172 0.000 0.196 213 E C 0.941 177.634 176.600 0.154 0.000 0.993 213 E CA 1.404 57.856 56.400 0.088 0.000 0.819 213 E CB 0.150 29.879 29.700 0.048 0.000 0.745 213 E HN 0.608 nan 8.360 nan 0.000 0.477 214 K N -0.233 120.353 120.400 0.311 0.000 2.387 214 K HA 0.048 4.471 4.320 0.172 0.000 0.198 214 K C -0.265 176.464 176.600 0.215 0.000 1.022 214 K CA -0.388 55.996 56.287 0.162 0.000 1.128 214 K CB 0.218 32.642 32.500 -0.126 0.000 0.853 214 K HN 0.109 nan 8.250 nan 0.000 0.523 215 Y N 2.858 123.222 120.300 0.107 0.000 2.717 215 Y HA -0.111 4.505 4.550 0.110 0.000 0.330 215 Y C -0.087 175.795 175.900 -0.030 0.000 1.217 215 Y CA -0.298 57.807 58.100 0.009 0.000 1.506 215 Y CB 0.222 38.645 38.460 -0.061 0.000 1.268 215 Y HN -0.004 nan 8.280 nan 0.000 0.561 216 D N 5.284 125.275 120.400 -0.682 0.000 2.460 216 D HA 0.356 5.099 4.640 0.172 0.000 0.232 216 D C 0.353 176.078 176.300 -0.959 0.000 1.079 216 D CA 0.116 53.770 54.000 -0.577 0.000 0.864 216 D CB 1.236 41.911 40.800 -0.209 0.000 1.048 216 D HN 0.740 nan 8.370 nan 0.000 0.523 217 A N 4.259 126.533 122.820 -0.909 0.000 2.066 217 A HA -0.117 4.306 4.320 0.172 0.000 0.218 217 A C 2.012 179.453 177.584 -0.238 0.000 1.157 217 A CA 0.969 52.634 52.037 -0.621 0.000 0.670 217 A CB -0.020 18.768 19.000 -0.353 0.000 0.804 217 A HN 0.453 nan 8.150 nan 0.000 0.453 218 R N -0.957 119.436 120.500 -0.177 0.000 2.057 218 R HA -0.006 4.437 4.340 0.172 0.000 0.224 218 R C 2.067 178.356 176.300 -0.018 0.000 1.136 218 R CA 1.949 58.012 56.100 -0.062 0.000 0.968 218 R CB -0.728 29.551 30.300 -0.034 0.000 0.863 218 R HN 0.688 nan 8.270 nan 0.000 0.433 219 H N 0.032 119.009 119.070 -0.154 0.000 2.544 219 H HA 0.173 4.831 4.556 0.170 0.000 0.269 219 H C -0.250 174.987 175.328 -0.152 0.000 0.970 219 H CA 0.851 56.820 56.048 -0.131 0.000 1.219 219 H CB 0.492 30.185 29.762 -0.114 0.000 1.421 219 H HN 0.069 nan 8.280 nan 0.000 0.555 220 I N 0.737 121.157 120.570 -0.250 0.000 7.084 220 I HA -0.273 4.000 4.170 0.172 0.000 0.126 220 I C -0.546 175.434 176.117 -0.229 0.000 1.834 220 I CA 0.458 61.626 61.300 -0.220 0.000 2.040 220 I CB -2.214 35.684 38.000 -0.168 0.000 3.591 220 I HN 0.263 nan 8.210 nan 0.000 0.170 221 M N 4.492 123.977 119.600 -0.191 0.000 2.501 221 M HA 0.539 5.122 4.480 0.172 0.000 0.293 221 M C 0.442 176.648 176.300 -0.157 0.000 1.192 221 M CA -0.096 55.060 55.300 -0.239 0.000 0.886 221 M CB 1.206 33.659 32.600 -0.245 0.000 1.710 221 M HN 0.370 nan 8.290 nan 0.000 0.457 222 H N -0.350 118.681 119.070 -0.065 0.000 2.692 222 H HA -0.168 4.489 4.556 0.169 0.000 0.316 222 H C -0.863 174.314 175.328 -0.252 0.000 1.176 222 H CA 0.844 56.736 56.048 -0.260 0.000 1.142 222 H CB -1.215 28.337 29.762 -0.349 0.000 1.475 222 H HN 0.622 nan 8.280 nan 0.000 0.423 223 D N 1.219 121.536 120.400 -0.139 0.000 2.551 223 D HA 0.378 5.121 4.640 0.172 0.000 0.223 223 D C -0.059 176.038 176.300 -0.338 0.000 1.144 223 D CA -0.022 53.902 54.000 -0.126 0.000 1.025 223 D CB -0.064 40.749 40.800 0.022 0.000 1.085 223 D HN 0.533 nan 8.370 nan 0.000 0.506 224 I N 0.954 121.258 120.570 -0.442 0.000 2.775 224 I HA 0.676 4.950 4.170 0.172 0.000 0.295 224 I C -1.890 174.046 176.117 -0.302 0.000 1.287 224 I CA -0.561 60.495 61.300 -0.407 0.000 1.029 224 I CB 1.742 39.377 38.000 -0.607 0.000 1.282 224 I HN 0.267 nan 8.210 nan 0.000 0.426 225 A N 6.893 129.667 122.820 -0.078 0.000 2.594 225 A HA 0.779 5.202 4.320 0.172 0.000 0.295 225 A C -2.163 175.573 177.584 0.253 0.000 1.071 225 A CA -0.542 51.572 52.037 0.128 0.000 0.685 225 A CB 1.681 20.692 19.000 0.018 0.000 1.285 225 A HN 0.627 nan 8.150 nan 0.000 0.405 226 L N 1.116 122.552 121.223 0.355 0.000 2.334 226 L HA 0.607 5.051 4.340 0.172 0.000 0.276 226 L C -0.955 176.017 176.870 0.170 0.000 1.014 226 L CA -0.573 54.426 54.840 0.264 0.000 0.815 226 L CB 1.708 43.917 42.059 0.250 0.000 1.268 226 L HN 0.616 nan 8.230 nan 0.000 0.428 227 L N 3.606 124.890 121.223 0.102 0.000 2.298 227 L HA 0.458 4.902 4.340 0.172 0.000 0.284 227 L C -0.204 176.589 176.870 -0.128 0.000 1.013 227 L CA -0.486 54.321 54.840 -0.055 0.000 0.824 227 L CB 1.636 43.629 42.059 -0.109 0.000 1.221 227 L HN 0.497 nan 8.230 nan 0.000 0.418 228 K N 4.479 124.727 120.400 -0.254 0.000 2.248 228 K HA 0.477 4.901 4.320 0.172 0.000 0.281 228 K C -0.503 175.877 176.600 -0.367 0.000 1.054 228 K CA -0.581 55.386 56.287 -0.534 0.000 0.903 228 K CB 0.831 33.011 32.500 -0.532 0.000 1.077 228 K HN 0.528 nan 8.250 nan 0.000 0.474 229 L N 3.671 124.687 121.223 -0.345 0.000 2.452 229 L HA 0.030 4.473 4.340 0.172 0.000 0.267 229 L C 1.606 178.365 176.870 -0.186 0.000 1.188 229 L CA -0.437 54.274 54.840 -0.215 0.000 0.821 229 L CB 0.346 42.312 42.059 -0.155 0.000 1.102 229 L HN 0.797 nan 8.230 nan 0.000 0.470 230 N N 2.305 120.927 118.700 -0.130 0.000 2.449 230 N HA -0.023 4.821 4.740 0.172 0.000 0.191 230 N C -0.051 175.414 175.510 -0.075 0.000 1.161 230 N CA -0.069 52.923 53.050 -0.096 0.000 0.863 230 N CB 0.195 38.642 38.487 -0.068 0.000 0.980 230 N HN 0.749 nan 8.380 nan 0.000 0.458 231 R N -2.922 117.530 120.500 -0.080 0.000 2.728 231 R HA 0.418 4.861 4.340 0.172 0.000 0.274 231 R C -1.467 174.795 176.300 -0.064 0.000 1.030 231 R CA -0.795 55.269 56.100 -0.061 0.000 0.876 231 R CB 0.100 30.374 30.300 -0.043 0.000 1.259 231 R HN -0.164 nan 8.270 nan 0.000 0.468 232 S N 0.411 116.079 115.700 -0.053 0.000 2.548 232 S HA 0.282 4.856 4.470 0.172 0.000 0.277 232 S C -0.292 174.284 174.600 -0.039 0.000 1.315 232 S CA -0.606 57.563 58.200 -0.051 0.000 1.050 232 S CB 1.262 64.426 63.200 -0.061 0.000 0.918 232 S HN 0.302 nan 8.310 nan 0.000 0.497 233 V N 6.703 126.605 119.914 -0.020 0.000 2.294 233 V HA 0.293 4.516 4.120 0.172 0.000 0.272 233 V C -1.929 174.162 176.094 -0.006 0.000 1.027 233 V CA -1.890 60.414 62.300 0.006 0.000 0.823 233 V CB 0.777 32.621 31.823 0.035 0.000 1.030 233 V HN 0.690 nan 8.190 nan 0.000 0.457 234 P HA 0.166 nan 4.420 nan 0.000 0.271 234 P C -0.500 176.820 177.300 0.033 0.000 1.218 234 P CA -0.287 62.736 63.100 -0.129 0.000 0.780 234 P CB 0.558 32.213 31.700 -0.076 0.000 0.901 235 F N 1.233 121.205 119.950 0.038 0.000 2.572 235 F HA 0.194 4.824 4.527 0.172 0.000 0.370 235 F C 1.406 177.228 175.800 0.038 0.000 1.103 235 F CA 0.438 58.454 58.000 0.027 0.000 1.286 235 F CB -0.533 38.478 39.000 0.018 0.000 1.105 235 F HN 0.332 nan 8.300 nan 0.000 0.583 236 Q N 1.483 121.430 119.800 0.246 0.000 2.668 236 Q HA 0.291 4.734 4.340 0.172 0.000 0.298 236 Q C 1.015 177.129 176.000 0.190 0.000 1.071 236 Q CA -1.087 54.839 55.803 0.204 0.000 0.789 236 Q CB 2.101 30.999 28.738 0.267 0.000 1.497 236 Q HN 0.560 nan 8.270 nan 0.000 0.460 237 K N 0.407 120.914 120.400 0.178 0.000 2.211 237 K HA -0.191 4.233 4.320 0.172 0.000 0.204 237 K C 0.987 177.671 176.600 0.140 0.000 1.047 237 K CA 1.938 58.292 56.287 0.112 0.000 0.935 237 K CB -0.038 32.488 32.500 0.044 0.000 0.728 237 K HN 0.741 nan 8.250 nan 0.000 0.452 238 H N -0.155 118.897 119.070 -0.030 0.000 2.672 238 H HA 0.422 5.082 4.556 0.173 0.000 0.277 238 H C -0.102 175.187 175.328 -0.065 0.000 1.074 238 H CA -0.864 55.146 56.048 -0.063 0.000 1.173 238 H CB -0.114 29.622 29.762 -0.043 0.000 1.558 238 H HN 0.099 nan 8.280 nan 0.000 0.539 239 I N 1.748 122.212 120.570 -0.176 0.000 2.503 239 I HA 0.360 4.633 4.170 0.172 0.000 0.282 239 I C -0.954 175.126 176.117 -0.062 0.000 1.059 239 I CA -0.371 60.815 61.300 -0.190 0.000 1.081 239 I CB 1.577 39.439 38.000 -0.230 0.000 1.210 239 I HN -0.049 nan 8.210 nan 0.000 0.450 240 K N 6.596 126.913 120.400 -0.139 0.000 2.556 240 K HA 0.541 4.964 4.320 0.172 0.000 0.274 240 K C -2.888 173.569 176.600 -0.239 0.000 0.966 240 K CA -1.651 54.432 56.287 -0.339 0.000 0.865 240 K CB 3.167 35.543 32.500 -0.207 0.000 1.444 240 K HN 0.159 nan 8.250 nan 0.000 0.433 241 P HA 0.232 nan 4.420 nan 0.000 0.276 241 P C -0.637 176.538 177.300 -0.209 0.000 1.244 241 P CA -0.453 62.490 63.100 -0.261 0.000 0.801 241 P CB 0.927 32.410 31.700 -0.362 0.000 1.006 242 I N 1.098 121.480 120.570 -0.313 0.000 2.713 242 I HA 0.179 4.452 4.170 0.172 0.000 0.300 242 I C 0.086 175.839 176.117 -0.607 0.000 1.009 242 I CA -0.440 60.349 61.300 -0.851 0.000 1.305 242 I CB 0.796 38.137 38.000 -1.098 0.000 1.430 242 I HN 0.352 nan 8.210 nan 0.000 0.546 243 c N 5.960 124.142 118.600 -0.697 0.000 2.422 243 c HA 0.477 5.151 4.570 0.172 0.000 0.364 243 c C 0.199 173.989 174.090 -0.499 0.000 1.251 243 c CA -0.598 55.338 56.329 -0.655 0.000 2.441 243 c CB 0.477 42.403 42.510 -0.974 0.000 2.393 243 c HN 0.539 nan 8.230 nan 0.000 0.606 244 L N 2.639 123.626 121.223 -0.392 0.000 2.319 244 L HA 0.437 4.881 4.340 0.172 0.000 0.267 244 L C -2.047 174.724 176.870 -0.166 0.000 1.011 244 L CA -1.578 53.074 54.840 -0.314 0.000 0.818 244 L CB 1.884 43.732 42.059 -0.352 0.000 1.316 244 L HN 0.434 nan 8.230 nan 0.000 0.432 245 P HA 0.086 nan 4.420 nan 0.000 0.237 245 P C 0.710 178.055 177.300 0.074 0.000 1.788 245 P CA 0.017 63.080 63.100 -0.061 0.000 1.061 245 P CB -0.415 31.248 31.700 -0.061 0.000 1.967 246 I N 0.004 120.632 120.570 0.098 0.000 3.291 246 I HA 0.053 4.327 4.170 0.172 0.000 0.279 246 I C 0.422 176.669 176.117 0.216 0.000 1.294 246 I CA 0.156 61.571 61.300 0.191 0.000 1.428 246 I CB -0.524 37.588 38.000 0.186 0.000 1.070 246 I HN 0.045 nan 8.210 nan 0.000 0.478 247 T N -3.091 111.532 114.554 0.115 0.000 2.949 247 T HA 0.339 4.792 4.350 0.172 0.000 0.287 247 T C 0.437 175.186 174.700 0.081 0.000 1.034 247 T CA -0.569 61.568 62.100 0.063 0.000 1.018 247 T CB 2.004 70.878 68.868 0.010 0.000 1.135 247 T HN -0.039 nan 8.240 nan 0.000 0.532 248 D N 0.522 120.948 120.400 0.042 0.000 2.117 248 D HA -0.070 4.673 4.640 0.172 0.000 0.197 248 D C 1.835 178.175 176.300 0.066 0.000 0.987 248 D CA 1.296 55.325 54.000 0.048 0.000 0.829 248 D CB -0.109 40.703 40.800 0.020 0.000 0.961 248 D HN 0.662 nan 8.370 nan 0.000 0.460 249 E N 0.396 120.630 120.200 0.058 0.000 2.077 249 E HA -0.093 4.360 4.350 0.172 0.000 0.193 249 E C 2.330 178.997 176.600 0.112 0.000 0.989 249 E CA 0.420 56.859 56.400 0.066 0.000 0.800 249 E CB -0.409 29.321 29.700 0.049 0.000 0.746 249 E HN 0.307 nan 8.360 nan 0.000 0.452 250 L N 0.337 121.648 121.223 0.146 0.000 2.109 250 L HA -0.125 4.318 4.340 0.172 0.000 0.207 250 L C 2.147 179.210 176.870 0.323 0.000 1.086 250 L CA 1.133 56.127 54.840 0.258 0.000 0.760 250 L CB -0.248 41.932 42.059 0.202 0.000 0.910 250 L HN 0.067 nan 8.230 nan 0.000 0.437 251 K N 0.129 120.659 120.400 0.217 0.000 2.057 251 K HA -0.192 4.231 4.320 0.172 0.000 0.207 251 K C 1.969 178.670 176.600 0.169 0.000 1.049 251 K CA 1.435 57.847 56.287 0.209 0.000 0.931 251 K CB -0.085 32.509 32.500 0.156 0.000 0.714 251 K HN 0.321 nan 8.250 nan 0.000 0.440 252 E N 0.786 121.058 120.200 0.120 0.000 2.150 252 E HA -0.152 4.302 4.350 0.172 0.000 0.193 252 E C 1.878 178.508 176.600 0.049 0.000 0.985 252 E CA 0.808 57.251 56.400 0.072 0.000 0.814 252 E CB 0.111 29.841 29.700 0.050 0.000 0.752 252 E HN 0.166 nan 8.360 nan 0.000 0.466 253 K N 0.715 121.157 120.400 0.069 0.000 2.147 253 K HA -0.142 4.282 4.320 0.172 0.000 0.205 253 K C 2.085 178.573 176.600 -0.187 0.000 1.049 253 K CA 0.888 57.157 56.287 -0.031 0.000 0.936 253 K CB -0.074 32.441 32.500 0.026 0.000 0.722 253 K HN 0.086 nan 8.250 nan 0.000 0.446 254 A N 1.541 124.301 122.820 -0.099 0.000 1.927 254 A HA -0.229 4.194 4.320 0.172 0.000 0.220 254 A C 1.670 179.227 177.584 -0.045 0.000 1.185 254 A CA 1.920 53.887 52.037 -0.117 0.000 0.639 254 A CB -0.417 18.687 19.000 0.173 0.000 0.820 254 A HN 0.476 nan 8.150 nan 0.000 0.451 255 E N -0.919 119.269 120.200 -0.019 0.000 2.478 255 E HA -0.044 4.410 4.350 0.172 0.000 0.194 255 E C 1.713 178.283 176.600 -0.050 0.000 1.045 255 E CA 0.375 56.768 56.400 -0.012 0.000 0.868 255 E CB 0.048 29.753 29.700 0.009 0.000 0.885 255 E HN 0.777 nan 8.360 nan 0.000 0.505 256 Q N 0.029 119.773 119.800 -0.093 0.000 2.384 256 Q HA 0.160 4.603 4.340 0.172 0.000 0.207 256 Q C 0.464 176.358 176.000 -0.177 0.000 0.904 256 Q CA 0.110 55.848 55.803 -0.109 0.000 0.933 256 Q CB 0.710 29.394 28.738 -0.089 0.000 1.077 256 Q HN 0.212 nan 8.270 nan 0.000 0.522 257 I N 1.776 122.177 120.570 -0.281 0.000 2.471 257 I HA -0.060 4.213 4.170 0.172 0.000 0.286 257 I C 1.300 177.199 176.117 -0.363 0.000 1.079 257 I CA -0.071 60.960 61.300 -0.448 0.000 1.398 257 I CB 1.365 38.838 38.000 -0.879 0.000 1.403 257 I HN 0.156 nan 8.210 nan 0.000 0.530 258 S N 2.770 118.288 115.700 -0.303 0.000 2.406 258 S HA 0.058 4.631 4.470 0.172 0.000 0.224 258 S C 0.766 175.239 174.600 -0.211 0.000 1.030 258 S CA 0.239 58.319 58.200 -0.201 0.000 0.958 258 S CB 0.115 63.227 63.200 -0.147 0.000 0.811 258 S HN 0.643 nan 8.310 nan 0.000 0.489 259 T N 1.480 115.838 114.554 -0.328 0.000 2.881 259 T HA 0.631 5.084 4.350 0.172 0.000 0.290 259 T C -1.692 172.729 174.700 -0.464 0.000 1.000 259 T CA -0.408 61.523 62.100 -0.283 0.000 0.978 259 T CB 1.272 69.999 68.868 -0.235 0.000 0.997 259 T HN 0.227 nan 8.240 nan 0.000 0.443 260 Y N 0.716 120.872 120.300 -0.239 0.000 2.587 260 Y HA 0.657 5.313 4.550 0.176 0.000 0.337 260 Y C -0.323 175.452 175.900 -0.209 0.000 1.065 260 Y CA -1.427 56.529 58.100 -0.241 0.000 1.126 260 Y CB 1.115 39.472 38.460 -0.172 0.000 1.279 260 Y HN 0.528 nan 8.280 nan 0.000 0.489 261 F N 1.229 121.271 119.950 0.153 0.000 2.420 261 F HA 0.431 5.060 4.527 0.171 0.000 0.352 261 F C -0.193 175.664 175.800 0.094 0.000 1.108 261 F CA -0.869 57.184 58.000 0.088 0.000 1.162 261 F CB 0.715 39.742 39.000 0.046 0.000 1.118 261 F HN -0.047 nan 8.300 nan 0.000 0.510 262 V N 3.746 123.822 119.914 0.270 0.000 2.313 262 V HA 0.445 4.668 4.120 0.172 0.000 0.278 262 V C -0.248 175.927 176.094 0.136 0.000 1.017 262 V CA -0.354 62.056 62.300 0.185 0.000 0.823 262 V CB 1.328 33.245 31.823 0.155 0.000 1.010 262 V HN 0.830 nan 8.190 nan 0.000 0.443 263 T N 3.237 117.847 114.554 0.093 0.000 2.876 263 T HA 0.915 5.369 4.350 0.172 0.000 0.289 263 T C 0.228 174.882 174.700 -0.077 0.000 1.014 263 T CA -0.028 62.057 62.100 -0.025 0.000 0.986 263 T CB 2.003 70.847 68.868 -0.040 0.000 1.021 263 T HN 1.132 nan 8.240 nan 0.000 0.458 264 G N 0.529 109.180 108.800 -0.248 0.000 2.350 264 G HA2 0.219 4.282 3.960 0.172 0.000 0.276 264 G HA3 0.219 4.282 3.960 0.172 0.000 0.276 264 G C -1.312 173.371 174.900 -0.362 0.000 1.313 264 G CA -0.784 44.159 45.100 -0.262 0.000 0.903 264 G HN 0.635 nan 8.290 nan 0.000 0.490 265 W N 0.954 122.228 121.300 -0.044 0.000 2.846 265 W HA 0.409 5.171 4.660 0.170 0.000 0.391 265 W C 1.388 177.894 176.519 -0.023 0.000 1.011 265 W CA 0.244 57.561 57.345 -0.047 0.000 1.832 265 W CB 0.793 30.216 29.460 -0.061 0.000 1.151 265 W HN 1.816 nan 8.180 nan 0.000 0.582 266 G N 2.348 111.243 108.800 0.158 0.000 2.295 266 G HA2 -0.275 3.789 3.960 0.172 0.000 0.287 266 G HA3 -0.275 3.789 3.960 0.172 0.000 0.287 266 G C 0.099 175.070 174.900 0.118 0.000 1.055 266 G CA 0.435 45.594 45.100 0.099 0.000 0.922 266 G HN 0.052 nan 8.290 nan 0.000 0.503 267 T N 1.166 115.811 114.554 0.152 0.000 2.779 267 T HA 0.547 5.001 4.350 0.172 0.000 0.296 267 T C 0.945 175.702 174.700 0.095 0.000 0.938 267 T CA 0.665 62.845 62.100 0.133 0.000 1.119 267 T CB 1.348 70.307 68.868 0.152 0.000 0.891 267 T HN 1.051 nan 8.240 nan 0.000 0.526 268 T N -0.669 113.927 114.554 0.071 0.000 2.645 268 T HA 0.377 4.830 4.350 0.172 0.000 0.273 268 T C 1.310 176.021 174.700 0.019 0.000 0.960 268 T CA -0.864 61.262 62.100 0.043 0.000 1.051 268 T CB 1.174 70.059 68.868 0.029 0.000 1.366 268 T HN 0.541 nan 8.240 nan 0.000 0.536 269 E N 0.538 120.738 120.200 -0.001 0.000 2.331 269 E HA -0.151 4.302 4.350 0.172 0.000 0.199 269 E C 0.839 177.444 176.600 0.009 0.000 1.008 269 E CA 0.994 57.382 56.400 -0.020 0.000 0.843 269 E CB -0.446 29.247 29.700 -0.010 0.000 0.761 269 E HN 0.477 nan 8.360 nan 0.000 0.507 270 N N 0.987 119.701 118.700 0.024 0.000 2.268 270 N HA 0.142 4.986 4.740 0.172 0.000 0.204 270 N C 0.561 176.100 175.510 0.049 0.000 1.124 270 N CA 0.833 53.905 53.050 0.037 0.000 0.838 270 N CB 1.144 39.649 38.487 0.030 0.000 0.994 270 N HN 0.354 nan 8.380 nan 0.000 0.489 271 G N 0.331 109.164 108.800 0.055 0.000 2.698 271 G HA2 -0.227 3.837 3.960 0.172 0.000 0.225 271 G HA3 -0.227 3.837 3.960 0.172 0.000 0.225 271 G C -0.736 174.222 174.900 0.097 0.000 1.345 271 G CA -0.714 44.436 45.100 0.083 0.000 0.871 271 G HN 0.160 nan 8.290 nan 0.000 0.540 272 S N -0.058 115.713 115.700 0.120 0.000 2.548 272 S HA 0.467 5.040 4.470 0.172 0.000 0.277 272 S C 1.661 176.328 174.600 0.113 0.000 1.315 272 S CA 0.468 58.749 58.200 0.135 0.000 1.050 272 S CB 1.480 64.766 63.200 0.145 0.000 0.918 272 S HN 1.812 nan 8.310 nan 0.000 0.497 273 S N 1.389 117.153 115.700 0.107 0.000 2.501 273 S HA 0.116 4.690 4.470 0.172 0.000 0.220 273 S C 0.726 175.373 174.600 0.079 0.000 0.997 273 S CA -0.117 58.127 58.200 0.074 0.000 0.919 273 S CB 0.146 63.374 63.200 0.047 0.000 0.778 273 S HN 0.485 nan 8.310 nan 0.000 0.523 274 S N 0.373 116.147 115.700 0.123 0.000 2.500 274 S HA 0.427 5.000 4.470 0.172 0.000 0.301 274 S C 0.015 174.742 174.600 0.211 0.000 1.092 274 S CA -0.552 57.722 58.200 0.123 0.000 1.030 274 S CB 1.780 65.023 63.200 0.073 0.000 1.031 274 S HN 0.219 nan 8.310 nan 0.000 0.483 275 D N 2.785 123.280 120.400 0.158 0.000 2.269 275 D HA 0.033 4.777 4.640 0.172 0.000 0.208 275 D C 0.398 176.848 176.300 0.250 0.000 0.963 275 D CA 0.806 54.908 54.000 0.171 0.000 0.864 275 D CB 0.309 41.171 40.800 0.103 0.000 0.936 275 D HN 0.252 nan 8.370 nan 0.000 0.505 276 V N 0.685 120.700 119.914 0.169 0.000 2.715 276 V HA 0.363 4.587 4.120 0.172 0.000 0.310 276 V C -0.750 175.149 176.094 -0.325 0.000 1.054 276 V CA -1.150 61.134 62.300 -0.026 0.000 0.928 276 V CB 1.745 33.511 31.823 -0.096 0.000 1.007 276 V HN 0.035 nan 8.190 nan 0.000 0.437 277 L N 6.889 127.662 121.223 -0.749 0.000 2.499 277 L HA 0.352 4.795 4.340 0.172 0.000 0.273 277 L C -0.575 175.953 176.870 -0.569 0.000 1.195 277 L CA 1.116 55.275 54.840 -1.136 0.000 0.882 277 L CB -0.198 41.252 42.059 -1.015 0.000 1.133 277 L HN 0.583 nan 8.230 nan 0.000 0.483 278 L N 4.548 125.491 121.223 -0.466 0.000 2.303 278 L HA 0.661 5.105 4.340 0.172 0.000 0.256 278 L C -0.766 176.020 176.870 -0.141 0.000 1.034 278 L CA -0.859 53.865 54.840 -0.194 0.000 0.832 278 L CB 2.082 44.074 42.059 -0.113 0.000 1.403 278 L HN 0.641 nan 8.230 nan 0.000 0.419 279 Q N 0.582 120.391 119.800 0.015 0.000 2.353 279 Q HA 0.779 5.223 4.340 0.172 0.000 0.275 279 Q C -2.065 174.091 176.000 0.259 0.000 1.029 279 Q CA -0.530 55.317 55.803 0.074 0.000 0.848 279 Q CB 2.828 31.564 28.738 -0.003 0.000 1.390 279 Q HN 0.770 nan 8.270 nan 0.000 0.401 280 A N 2.802 125.784 122.820 0.270 0.000 2.469 280 A HA 0.701 5.124 4.320 0.172 0.000 0.299 280 A C -1.386 176.356 177.584 0.263 0.000 1.098 280 A CA -0.864 51.377 52.037 0.341 0.000 0.737 280 A CB 1.537 20.715 19.000 0.296 0.000 1.312 280 A HN 0.756 nan 8.150 nan 0.000 0.414 281 N N 0.763 119.576 118.700 0.189 0.000 2.439 281 N HA 0.461 5.305 4.740 0.172 0.000 0.249 281 N C -1.130 174.414 175.510 0.056 0.000 1.003 281 N CA 0.038 53.127 53.050 0.065 0.000 0.942 281 N CB 1.528 40.013 38.487 -0.004 0.000 1.115 281 N HN 0.332 nan 8.380 nan 0.000 0.505 282 V N 4.356 124.298 119.914 0.045 0.000 2.604 282 V HA 0.481 4.704 4.120 0.172 0.000 0.305 282 V C -2.088 174.025 176.094 0.031 0.000 1.043 282 V CA -1.697 60.634 62.300 0.051 0.000 0.888 282 V CB 2.537 34.402 31.823 0.071 0.000 0.995 282 V HN 0.499 nan 8.190 nan 0.000 0.429 283 P HA 0.272 nan 4.420 nan 0.000 0.278 283 P C -0.750 176.572 177.300 0.037 0.000 1.238 283 P CA -0.493 62.614 63.100 0.012 0.000 0.794 283 P CB 1.496 33.196 31.700 -0.000 0.000 0.955 284 L N 2.970 124.227 121.223 0.056 0.000 2.380 284 L HA 0.180 4.623 4.340 0.172 0.000 0.273 284 L C 0.226 177.111 176.870 0.024 0.000 1.138 284 L CA 0.617 55.494 54.840 0.062 0.000 0.832 284 L CB 0.078 42.203 42.059 0.110 0.000 1.124 284 L HN 0.287 nan 8.230 nan 0.000 0.454 285 Q N 5.223 125.037 119.800 0.023 0.000 2.297 285 Q HA 0.560 5.003 4.340 0.172 0.000 0.269 285 Q C -2.353 173.661 176.000 0.024 0.000 1.051 285 Q CA -1.988 53.829 55.803 0.023 0.000 0.869 285 Q CB 1.013 29.772 28.738 0.035 0.000 1.346 285 Q HN 0.468 nan 8.270 nan 0.000 0.457 286 P HA 0.171 nan 4.420 nan 0.000 0.271 286 P C 0.300 177.619 177.300 0.031 0.000 1.218 286 P CA -0.006 63.107 63.100 0.021 0.000 0.780 286 P CB 0.766 32.476 31.700 0.016 0.000 0.901 287 R N 1.214 121.732 120.500 0.031 0.000 2.139 287 R HA -0.141 4.302 4.340 0.172 0.000 0.243 287 R C 2.212 178.541 176.300 0.047 0.000 1.145 287 R CA 1.983 58.107 56.100 0.039 0.000 0.976 287 R CB -0.707 29.612 30.300 0.031 0.000 0.866 287 R HN 0.658 nan 8.270 nan 0.000 0.449 288 S N 0.622 116.344 115.700 0.037 0.000 2.400 288 S HA -0.168 4.405 4.470 0.172 0.000 0.232 288 S C 2.186 176.811 174.600 0.043 0.000 1.025 288 S CA 1.091 59.313 58.200 0.036 0.000 0.993 288 S CB -0.194 63.020 63.200 0.024 0.000 0.808 288 S HN 0.393 nan 8.310 nan 0.000 0.478 289 A N 0.656 123.503 122.820 0.045 0.000 1.902 289 A HA -0.053 4.370 4.320 0.172 0.000 0.217 289 A C 2.494 180.122 177.584 0.074 0.000 1.181 289 A CA 1.518 53.582 52.037 0.045 0.000 0.623 289 A CB -1.400 17.627 19.000 0.044 0.000 0.818 289 A HN 0.713 nan 8.150 nan 0.000 0.443 290 c N -0.359 118.317 118.600 0.127 0.000 2.486 290 c HA -0.012 4.662 4.570 0.172 0.000 0.279 290 c C 3.403 177.648 174.090 0.259 0.000 1.302 290 c CA 1.056 57.543 56.329 0.263 0.000 1.720 290 c CB -0.980 41.666 42.510 0.227 0.000 2.030 290 c HN 0.802 nan 8.230 nan 0.000 0.490 291 S N 0.800 116.583 115.700 0.138 0.000 2.382 291 S HA -0.258 4.315 4.470 0.172 0.000 0.228 291 S C 1.690 176.342 174.600 0.086 0.000 1.027 291 S CA 1.469 59.734 58.200 0.109 0.000 0.991 291 S CB -0.610 62.630 63.200 0.068 0.000 0.823 291 S HN 0.745 nan 8.310 nan 0.000 0.469 292 Q N 1.019 120.852 119.800 0.053 0.000 2.049 292 Q HA 0.098 4.542 4.340 0.172 0.000 0.198 292 Q C 2.679 178.667 176.000 -0.021 0.000 0.971 292 Q CA 1.330 57.142 55.803 0.016 0.000 0.833 292 Q CB -0.494 28.247 28.738 0.004 0.000 0.896 292 Q HN 0.770 nan 8.270 nan 0.000 0.434 293 A N -0.031 122.752 122.820 -0.062 0.000 1.930 293 A HA -0.153 4.270 4.320 0.172 0.000 0.217 293 A C 1.315 178.678 177.584 -0.369 0.000 1.175 293 A CA 1.174 53.067 52.037 -0.239 0.000 0.627 293 A CB -0.468 18.322 19.000 -0.351 0.000 0.815 293 A HN 0.400 nan 8.150 nan 0.000 0.443 294 Y N -1.889 118.406 120.300 -0.008 0.000 2.462 294 Y HA 0.279 4.933 4.550 0.173 0.000 0.261 294 Y C 0.697 176.598 175.900 0.001 0.000 1.146 294 Y CA 0.103 58.195 58.100 -0.013 0.000 1.283 294 Y CB 0.167 38.609 38.460 -0.031 0.000 1.090 294 Y HN 0.261 nan 8.280 nan 0.000 0.526 295 R N 1.400 121.961 120.500 0.102 0.000 3.333 295 R HA -0.207 4.236 4.340 0.172 0.000 0.256 295 R C -0.699 175.660 176.300 0.100 0.000 1.010 295 R CA 0.762 56.906 56.100 0.074 0.000 0.680 295 R CB -1.864 28.461 30.300 0.043 0.000 1.102 295 R HN 0.472 nan 8.270 nan 0.000 0.440 296 R N -1.741 118.832 120.500 0.121 0.000 2.680 296 R HA 0.717 5.160 4.340 0.172 0.000 0.269 296 R C -0.892 175.466 176.300 0.097 0.000 1.026 296 R CA -0.533 55.644 56.100 0.129 0.000 0.889 296 R CB 1.352 31.768 30.300 0.194 0.000 1.241 296 R HN 0.056 nan 8.270 nan 0.000 0.463 297 A N 1.567 124.436 122.820 0.082 0.000 2.483 297 A HA 0.398 4.822 4.320 0.172 0.000 0.238 297 A C -0.087 177.524 177.584 0.045 0.000 1.070 297 A CA -0.333 51.737 52.037 0.055 0.000 0.770 297 A CB 0.530 19.554 19.000 0.040 0.000 1.008 297 A HN 0.407 nan 8.150 nan 0.000 0.497 298 V N 5.883 125.815 119.914 0.029 0.000 2.326 298 V HA 0.342 4.565 4.120 0.172 0.000 0.281 298 V C -1.798 174.300 176.094 0.007 0.000 1.015 298 V CA -1.031 61.274 62.300 0.008 0.000 0.823 298 V CB 1.030 32.863 31.823 0.016 0.000 1.009 298 V HN 0.943 nan 8.190 nan 0.000 0.436 299 P HA 0.327 nan 4.420 nan 0.000 0.277 299 P C 1.024 178.329 177.300 0.008 0.000 1.271 299 P CA -0.508 62.592 63.100 0.000 0.000 0.795 299 P CB 1.505 33.198 31.700 -0.013 0.000 1.101 300 L N 0.120 121.351 121.223 0.014 0.000 2.265 300 L HA -0.146 4.298 4.340 0.172 0.000 0.215 300 L C 2.353 179.243 176.870 0.034 0.000 1.117 300 L CA 1.830 56.683 54.840 0.022 0.000 0.782 300 L CB -0.910 41.160 42.059 0.019 0.000 0.914 300 L HN 0.466 nan 8.230 nan 0.000 0.441 301 S N -1.573 114.146 115.700 0.031 0.000 2.595 301 S HA -0.052 4.521 4.470 0.172 0.000 0.235 301 S C 0.724 175.398 174.600 0.123 0.000 0.974 301 S CA 0.249 58.499 58.200 0.085 0.000 0.942 301 S CB -0.130 63.125 63.200 0.091 0.000 0.766 301 S HN 0.485 nan 8.310 nan 0.000 0.536 302 Q N 0.011 119.845 119.800 0.055 0.000 2.387 302 Q HA 0.707 5.151 4.340 0.172 0.000 0.273 302 Q C -1.327 174.700 176.000 0.046 0.000 1.089 302 Q CA -0.733 55.094 55.803 0.041 0.000 0.824 302 Q CB 2.165 30.893 28.738 -0.016 0.000 1.367 302 Q HN 0.295 nan 8.270 nan 0.000 0.443 303 L N 0.337 121.595 121.223 0.059 0.000 2.342 303 L HA 0.600 5.044 4.340 0.172 0.000 0.271 303 L C -0.907 175.998 176.870 0.057 0.000 1.008 303 L CA -1.001 53.859 54.840 0.035 0.000 0.818 303 L CB 1.945 43.988 42.059 -0.027 0.000 1.296 303 L HN 0.620 nan 8.230 nan 0.000 0.427 304 c N 3.266 121.890 118.600 0.040 0.000 2.298 304 c HA 0.795 5.468 4.570 0.172 0.000 0.323 304 c C -0.271 173.845 174.090 0.044 0.000 1.284 304 c CA -0.302 56.071 56.329 0.072 0.000 1.577 304 c CB 0.427 42.980 42.510 0.071 0.000 2.249 304 c HN 0.547 nan 8.230 nan 0.000 0.497 305 V N 7.205 127.167 119.914 0.080 0.000 2.709 305 V HA 0.855 5.078 4.120 0.172 0.000 0.308 305 V C 0.930 177.073 176.094 0.082 0.000 1.062 305 V CA 0.842 63.148 62.300 0.010 0.000 0.901 305 V CB 1.102 32.774 31.823 -0.251 0.000 1.003 305 V HN 1.483 nan 8.190 nan 0.000 0.425 306 G N 3.391 112.222 108.800 0.052 0.000 2.566 306 G HA2 0.313 4.376 3.960 0.172 0.000 0.280 306 G HA3 0.313 4.376 3.960 0.172 0.000 0.280 306 G C 0.672 175.612 174.900 0.067 0.000 1.225 306 G CA 0.091 45.230 45.100 0.065 0.000 0.966 306 G HN 2.691 nan 8.290 nan 0.000 0.560 307 G N -2.288 106.553 108.800 0.067 0.000 2.730 307 G HA2 0.511 4.575 3.960 0.172 0.000 0.686 307 G HA3 0.511 4.575 3.960 0.172 0.000 0.686 307 G C 1.643 176.563 174.900 0.033 0.000 1.343 307 G CA 0.947 46.077 45.100 0.050 0.000 0.826 307 G HN 3.159 nan 8.290 nan 0.000 0.582 308 G N -0.612 108.200 108.800 0.019 0.000 2.179 308 G HA2 0.220 4.283 3.960 0.172 0.000 0.257 308 G HA3 0.220 4.283 3.960 0.172 0.000 0.257 308 G C 0.177 175.089 174.900 0.020 0.000 1.010 308 G CA 1.491 46.600 45.100 0.014 0.000 0.736 308 G HN 2.505 nan 8.290 nan 0.000 0.513 309 D N -1.903 118.512 120.400 0.025 0.000 2.566 309 D HA 0.670 5.413 4.640 0.172 0.000 0.254 309 D C 1.026 177.339 176.300 0.022 0.000 1.090 309 D CA -1.059 52.960 54.000 0.031 0.000 1.034 309 D CB 0.575 41.402 40.800 0.046 0.000 1.434 309 D HN 0.007 nan 8.370 nan 0.000 0.509 310 L N -1.283 119.954 121.223 0.024 0.000 2.575 310 L HA 0.212 4.655 4.340 0.172 0.000 0.228 310 L C 1.148 178.010 176.870 -0.013 0.000 1.075 310 L CA 0.198 55.044 54.840 0.011 0.000 0.867 310 L CB 0.133 42.204 42.059 0.020 0.000 1.097 310 L HN 0.380 nan 8.230 nan 0.000 0.485 311 Q N -1.215 118.572 119.800 -0.022 0.000 2.081 311 Q HA 0.104 4.547 4.340 0.172 0.000 0.220 311 Q C 0.124 175.974 176.000 -0.250 0.000 0.775 311 Q CA 0.211 55.932 55.803 -0.136 0.000 0.983 311 Q CB 1.410 30.085 28.738 -0.104 0.000 1.188 311 Q HN 0.278 nan 8.270 nan 0.000 0.458 312 D N -0.157 120.204 120.400 -0.065 0.000 2.735 312 D HA 0.055 4.798 4.640 0.172 0.000 0.267 312 D C 1.677 177.983 176.300 0.009 0.000 1.081 312 D CA 0.829 54.829 54.000 -0.000 0.000 0.980 312 D CB 0.017 40.894 40.800 0.130 0.000 1.129 312 D HN -0.118 nan 8.370 nan 0.000 0.459 313 S N 0.469 116.192 115.700 0.039 0.000 2.400 313 S HA -0.163 4.411 4.470 0.172 0.000 0.232 313 S C 2.237 176.872 174.600 0.059 0.000 1.025 313 S CA 1.266 59.510 58.200 0.072 0.000 0.993 313 S CB -0.517 62.733 63.200 0.083 0.000 0.808 313 S HN 0.576 nan 8.310 nan 0.000 0.478 314 c N 1.487 120.092 118.600 0.008 0.000 2.491 314 c HA 0.245 4.919 4.570 0.172 0.000 0.277 314 c C 2.019 176.096 174.090 -0.022 0.000 1.455 314 c CA -0.391 55.935 56.329 -0.006 0.000 1.758 314 c CB -0.897 41.596 42.510 -0.028 0.000 1.745 314 c HN 0.263 nan 8.230 nan 0.000 0.558 315 K N 1.759 122.133 120.400 -0.044 0.000 2.288 315 K HA 0.102 4.526 4.320 0.172 0.000 0.201 315 K C 1.349 177.946 176.600 -0.005 0.000 1.048 315 K CA 0.912 57.161 56.287 -0.063 0.000 0.956 315 K CB -0.572 31.866 32.500 -0.103 0.000 0.746 315 K HN 0.665 nan 8.250 nan 0.000 0.461 316 G N 1.559 110.388 108.800 0.049 0.000 2.606 316 G HA2 0.062 4.125 3.960 0.172 0.000 0.252 316 G HA3 0.062 4.125 3.960 0.172 0.000 0.252 316 G C -0.469 174.482 174.900 0.085 0.000 1.206 316 G CA -0.398 44.753 45.100 0.085 0.000 0.861 316 G HN 0.020 nan 8.290 nan 0.000 0.561 317 D N -0.476 119.990 120.400 0.109 0.000 2.229 317 D HA 0.297 5.040 4.640 0.172 0.000 0.249 317 D C 0.256 176.609 176.300 0.089 0.000 1.027 317 D CA -0.137 53.938 54.000 0.125 0.000 0.923 317 D CB 1.748 42.653 40.800 0.176 0.000 1.174 317 D HN 0.266 nan 8.370 nan 0.000 0.443 318 S N -0.019 115.739 115.700 0.097 0.000 2.525 318 S HA 0.316 4.889 4.470 0.172 0.000 0.285 318 S C 1.325 175.979 174.600 0.091 0.000 1.283 318 S CA 0.803 59.082 58.200 0.131 0.000 1.072 318 S CB -0.125 63.189 63.200 0.191 0.000 0.867 318 S HN 0.675 nan 8.310 nan 0.000 0.492 319 G N 3.407 112.224 108.800 0.028 0.000 2.184 319 G HA2 -0.202 3.862 3.960 0.172 0.000 0.264 319 G HA3 -0.202 3.862 3.960 0.172 0.000 0.264 319 G C 0.560 175.455 174.900 -0.009 0.000 0.975 319 G CA 0.173 45.221 45.100 -0.087 0.000 0.642 319 G HN 1.235 nan 8.290 nan 0.000 0.536 320 G N 0.471 109.296 108.800 0.042 0.000 2.634 320 G HA2 0.594 4.657 3.960 0.172 0.000 0.255 320 G HA3 0.594 4.657 3.960 0.172 0.000 0.255 320 G C -1.615 173.353 174.900 0.114 0.000 1.205 320 G CA -0.249 44.906 45.100 0.092 0.000 0.884 320 G HN 0.331 nan 8.290 nan 0.000 0.549 321 P HA 0.257 nan 4.420 nan 0.000 0.276 321 P C -0.933 176.484 177.300 0.195 0.000 1.244 321 P CA -0.546 62.637 63.100 0.138 0.000 0.801 321 P CB 1.663 33.427 31.700 0.108 0.000 1.006 322 L N 2.530 123.845 121.223 0.152 0.000 2.298 322 L HA 0.372 4.815 4.340 0.172 0.000 0.284 322 L C -0.117 176.811 176.870 0.098 0.000 1.013 322 L CA -0.090 54.758 54.840 0.013 0.000 0.824 322 L CB 0.832 42.673 42.059 -0.364 0.000 1.221 322 L HN 0.416 nan 8.230 nan 0.000 0.418 323 Q N 4.670 124.619 119.800 0.249 0.000 2.423 323 Q HA 0.985 5.428 4.340 0.172 0.000 0.278 323 Q C -1.698 174.594 176.000 0.487 0.000 1.097 323 Q CA -1.090 54.907 55.803 0.323 0.000 0.809 323 Q CB 2.571 31.398 28.738 0.149 0.000 1.391 323 Q HN 0.739 nan 8.270 nan 0.000 0.428 324 A N 1.718 124.802 122.820 0.440 0.000 2.589 324 A HA 0.724 5.147 4.320 0.172 0.000 0.296 324 A C -2.916 174.812 177.584 0.241 0.000 1.062 324 A CA -1.319 50.867 52.037 0.248 0.000 0.686 324 A CB 1.750 20.725 19.000 -0.042 0.000 1.282 324 A HN 0.627 nan 8.150 nan 0.000 0.404 325 P HA 0.549 nan 4.420 nan 0.000 0.275 325 P C -0.320 177.114 177.300 0.223 0.000 1.228 325 P CA 0.190 63.435 63.100 0.243 0.000 0.786 325 P CB 1.578 33.529 31.700 0.420 0.000 0.927 326 A N 1.356 124.315 122.820 0.231 0.000 2.586 326 A HA 0.455 4.879 4.320 0.172 0.000 0.290 326 A C -1.073 176.619 177.584 0.180 0.000 1.086 326 A CA -0.551 51.612 52.037 0.210 0.000 0.665 326 A CB 0.895 20.100 19.000 0.342 0.000 1.279 326 A HN 0.384 nan 8.150 nan 0.000 0.423 327 Q N 0.532 120.419 119.800 0.145 0.000 2.307 327 Q HA 0.389 4.832 4.340 0.172 0.000 0.261 327 Q C -1.616 174.489 176.000 0.175 0.000 1.051 327 Q CA 0.595 56.471 55.803 0.122 0.000 0.911 327 Q CB -0.085 28.695 28.738 0.070 0.000 1.227 327 Q HN 0.584 nan 8.270 nan 0.000 0.418 328 Y N 6.627 126.954 120.300 0.045 0.000 2.369 328 Y HA 0.359 5.012 4.550 0.172 0.000 0.337 328 Y C 0.235 176.167 175.900 0.052 0.000 0.961 328 Y CA -0.451 57.673 58.100 0.040 0.000 1.186 328 Y CB 0.148 38.622 38.460 0.023 0.000 1.139 328 Y HN 0.860 nan 8.280 nan 0.000 0.494 329 L N 3.089 124.150 121.223 -0.271 0.000 6.223 329 L HA -0.369 4.075 4.340 0.172 0.000 0.053 329 L C 1.430 178.280 176.870 -0.034 0.000 2.244 329 L CA 1.438 56.157 54.840 -0.203 0.000 1.647 329 L CB -1.342 40.541 42.059 -0.293 0.000 2.769 329 L HN 0.776 nan 8.230 nan 0.000 1.016 330 G N 0.106 108.913 108.800 0.011 0.000 3.502 330 G HA2 0.204 4.267 3.960 0.172 0.000 0.267 330 G HA3 0.204 4.267 3.960 0.172 0.000 0.267 330 G C 0.163 175.122 174.900 0.099 0.000 1.090 330 G CA -0.194 44.937 45.100 0.052 0.000 0.795 330 G HN 0.374 nan 8.290 nan 0.000 0.535 331 E N 0.010 120.289 120.200 0.131 0.000 2.414 331 E HA -0.022 4.432 4.350 0.172 0.000 0.263 331 E C 0.433 177.126 176.600 0.154 0.000 1.000 331 E CA -0.405 56.095 56.400 0.167 0.000 0.914 331 E CB 1.049 30.874 29.700 0.209 0.000 0.948 331 E HN 0.335 nan 8.360 nan 0.000 0.444 332 Y N 3.094 123.426 120.300 0.053 0.000 2.133 332 Y HA -0.053 4.600 4.550 0.173 0.000 0.287 332 Y C 0.729 176.645 175.900 0.026 0.000 1.134 332 Y CA 1.473 59.593 58.100 0.033 0.000 1.133 332 Y CB 0.104 38.577 38.460 0.021 0.000 0.987 332 Y HN 0.510 nan 8.280 nan 0.000 0.502 333 A N 1.442 124.246 122.820 -0.027 0.000 2.327 333 A HA 0.451 4.874 4.320 0.172 0.000 0.283 333 A C -2.491 175.051 177.584 -0.070 0.000 1.127 333 A CA -1.580 50.372 52.037 -0.140 0.000 0.810 333 A CB -0.413 18.566 19.000 -0.035 0.000 1.066 333 A HN 0.249 nan 8.150 nan 0.000 0.492 334 P HA 0.167 nan 4.420 nan 0.000 0.266 334 P C -0.618 176.760 177.300 0.130 0.000 1.195 334 P CA 0.180 63.312 63.100 0.053 0.000 0.768 334 P CB 0.431 32.187 31.700 0.093 0.000 0.838 335 K N 2.236 122.753 120.400 0.194 0.000 2.259 335 K HA 0.480 4.904 4.320 0.172 0.000 0.249 335 K C -0.259 176.435 176.600 0.157 0.000 0.942 335 K CA -1.153 55.237 56.287 0.171 0.000 0.816 335 K CB 1.502 33.972 32.500 -0.051 0.000 1.155 335 K HN 0.390 nan 8.250 nan 0.000 0.428 336 M N 2.041 121.665 119.600 0.040 0.000 2.200 336 M HA 0.140 4.723 4.480 0.172 0.000 0.355 336 M C -0.963 175.082 176.300 -0.425 0.000 1.283 336 M CA -0.106 55.048 55.300 -0.243 0.000 1.124 336 M CB 0.492 32.791 32.600 -0.502 0.000 1.625 336 M HN 0.258 nan 8.290 nan 0.000 0.463 337 V N 4.693 124.424 119.914 -0.305 0.000 2.604 337 V HA 0.363 4.586 4.120 0.172 0.000 0.305 337 V C -0.487 175.312 176.094 -0.493 0.000 1.043 337 V CA -0.918 61.079 62.300 -0.505 0.000 0.888 337 V CB 1.878 33.307 31.823 -0.656 0.000 0.995 337 V HN 0.788 nan 8.190 nan 0.000 0.429 338 E N 2.415 122.320 120.200 -0.491 0.000 2.052 338 E HA 0.286 4.739 4.350 0.172 0.000 0.283 338 E C -0.386 176.040 176.600 -0.291 0.000 1.071 338 E CA -0.179 56.055 56.400 -0.278 0.000 0.851 338 E CB 0.469 30.043 29.700 -0.210 0.000 1.066 338 E HN 0.588 nan 8.360 nan 0.000 0.396 339 F N 2.618 122.567 119.950 -0.002 0.000 2.619 339 F HA 0.301 4.930 4.527 0.171 0.000 0.293 339 F C 1.176 176.949 175.800 -0.045 0.000 1.119 339 F CA 0.390 58.395 58.000 0.010 0.000 1.445 339 F CB 1.013 40.072 39.000 0.098 0.000 1.119 339 F HN 0.449 nan 8.300 nan 0.000 0.573 340 G N -0.184 108.664 108.800 0.080 0.000 2.690 340 G HA2 0.668 4.732 3.960 0.172 0.000 0.291 340 G HA3 0.668 4.732 3.960 0.172 0.000 0.291 340 G C -1.668 173.345 174.900 0.188 0.000 1.403 340 G CA -0.586 44.574 45.100 0.100 0.000 0.864 340 G HN -0.080 nan 8.290 nan 0.000 0.480 341 I N 0.632 121.332 120.570 0.218 0.000 2.466 341 I HA 0.254 4.527 4.170 0.172 0.000 0.289 341 I C 0.002 176.083 176.117 -0.061 0.000 1.026 341 I CA -1.070 60.287 61.300 0.096 0.000 1.078 341 I CB 2.396 40.386 38.000 -0.016 0.000 1.249 341 I HN 0.142 nan 8.210 nan 0.000 0.429 342 V N 5.144 124.915 119.914 -0.239 0.000 2.475 342 V HA -0.060 4.164 4.120 0.172 0.000 0.292 342 V C 0.997 176.929 176.094 -0.270 0.000 1.003 342 V CA 0.804 62.723 62.300 -0.634 0.000 1.120 342 V CB 0.677 32.296 31.823 -0.340 0.000 0.937 342 V HN 0.985 nan 8.190 nan 0.000 0.476 343 S N 4.048 119.546 115.700 -0.336 0.000 2.655 343 S HA 0.256 4.830 4.470 0.172 0.000 0.231 343 S C 0.508 174.971 174.600 -0.229 0.000 1.044 343 S CA 0.199 58.332 58.200 -0.111 0.000 0.910 343 S CB 0.428 63.548 63.200 -0.134 0.000 0.833 343 S HN 0.826 nan 8.310 nan 0.000 0.581 344 Q N -1.635 117.992 119.800 -0.288 0.000 2.511 344 Q HA 0.528 4.971 4.340 0.172 0.000 0.289 344 Q C -0.019 175.889 176.000 -0.153 0.000 1.021 344 Q CA -0.313 55.329 55.803 -0.268 0.000 0.785 344 Q CB 1.729 30.254 28.738 -0.355 0.000 1.472 344 Q HN 0.502 nan 8.270 nan 0.000 0.411 345 G N -0.192 108.597 108.800 -0.018 0.000 2.184 345 G HA2 -0.242 3.821 3.960 0.172 0.000 0.264 345 G HA3 -0.242 3.821 3.960 0.172 0.000 0.264 345 G C -0.129 174.809 174.900 0.064 0.000 0.975 345 G CA 0.208 45.390 45.100 0.137 0.000 0.642 345 G HN 0.367 nan 8.290 nan 0.000 0.536 346 V N 1.969 121.878 119.914 -0.009 0.000 2.368 346 V HA 0.560 4.783 4.120 0.172 0.000 0.266 346 V C 1.018 177.114 176.094 0.004 0.000 1.045 346 V CA -0.041 62.262 62.300 0.004 0.000 0.899 346 V CB 1.004 32.810 31.823 -0.028 0.000 1.006 346 V HN 0.910 nan 8.190 nan 0.000 0.470 347 V N 2.440 122.363 119.914 0.015 0.000 3.284 347 V HA 0.767 4.990 4.120 0.172 0.000 0.309 347 V C 0.410 176.509 176.094 0.008 0.000 1.190 347 V CA -0.633 61.672 62.300 0.009 0.000 1.038 347 V CB 1.725 33.553 31.823 0.008 0.000 1.198 347 V HN 0.761 nan 8.190 nan 0.000 0.465 348 T N -1.158 113.399 114.554 0.006 0.000 2.918 348 T HA 0.328 4.782 4.350 0.172 0.000 0.302 348 T C 0.318 175.015 174.700 -0.005 0.000 1.045 348 T CA -0.340 61.762 62.100 0.004 0.000 1.114 348 T CB 0.090 68.963 68.868 0.007 0.000 0.965 348 T HN 0.956 nan 8.240 nan 0.000 0.540 349 c N 2.161 120.752 118.600 -0.015 0.000 2.689 349 c HA 0.613 5.286 4.570 0.172 0.000 0.409 349 c C 2.103 176.183 174.090 -0.016 0.000 1.293 349 c CA 0.785 57.097 56.329 -0.030 0.000 2.136 349 c CB -0.462 42.013 42.510 -0.059 0.000 2.719 349 c HN 1.408 nan 8.230 nan 0.000 0.644 350 G N 1.121 109.913 108.800 -0.013 0.000 2.232 350 G HA2 -0.189 3.874 3.960 0.172 0.000 0.226 350 G HA3 -0.189 3.874 3.960 0.172 0.000 0.226 350 G C -0.184 174.716 174.900 0.000 0.000 0.996 350 G CA 0.438 45.536 45.100 -0.002 0.000 0.626 350 G HN 0.779 nan 8.290 nan 0.000 0.509 351 Q N -0.075 119.724 119.800 -0.002 0.000 2.348 351 Q HA 0.711 5.154 4.340 0.172 0.000 0.271 351 Q C 0.005 176.005 176.000 -0.001 0.000 1.067 351 Q CA -1.111 54.692 55.803 -0.001 0.000 0.839 351 Q CB 1.797 30.533 28.738 -0.003 0.000 1.354 351 Q HN 0.384 nan 8.270 nan 0.000 0.447 352 I N 2.813 123.383 120.570 -0.001 0.000 2.598 352 I HA 0.022 4.296 4.170 0.172 0.000 0.284 352 I C -0.156 175.959 176.117 -0.003 0.000 1.140 352 I CA 0.311 61.611 61.300 -0.001 0.000 1.420 352 I CB 0.525 38.523 38.000 -0.003 0.000 1.387 352 I HN 0.715 nan 8.210 nan 0.000 0.553 353 S N 7.408 123.110 115.700 0.004 0.000 2.646 353 S HA 0.577 5.151 4.470 0.172 0.000 0.276 353 S C -0.322 174.278 174.600 -0.001 0.000 1.222 353 S CA -0.957 57.248 58.200 0.007 0.000 1.014 353 S CB 1.621 64.836 63.200 0.025 0.000 0.991 353 S HN 0.593 nan 8.310 nan 0.000 0.533 354 L N 1.020 122.238 121.223 -0.008 0.000 2.387 354 L HA 0.509 4.952 4.340 0.172 0.000 0.266 354 L C -2.305 174.587 176.870 0.037 0.000 1.059 354 L CA -2.756 52.061 54.840 -0.038 0.000 0.801 354 L CB 0.755 42.726 42.059 -0.148 0.000 1.223 354 L HN 0.446 nan 8.230 nan 0.000 0.456 355 P HA 0.058 nan 4.420 nan 0.000 0.266 355 P C -0.469 176.983 177.300 0.253 0.000 1.195 355 P CA -0.126 63.054 63.100 0.134 0.000 0.768 355 P CB 0.471 32.245 31.700 0.124 0.000 0.838 356 G N 2.319 111.262 108.800 0.239 0.000 2.389 356 G HA2 0.549 4.613 3.960 0.172 0.000 0.317 356 G HA3 0.549 4.613 3.960 0.172 0.000 0.317 356 G C -1.035 173.990 174.900 0.208 0.000 1.137 356 G CA -0.671 44.569 45.100 0.234 0.000 0.870 356 G HN 0.389 nan 8.290 nan 0.000 0.496 357 L N 1.247 122.464 121.223 -0.009 0.000 2.275 357 L HA 0.418 4.861 4.340 0.172 0.000 0.288 357 L C -0.861 175.972 176.870 -0.062 0.000 1.046 357 L CA -0.677 54.124 54.840 -0.065 0.000 0.805 357 L CB 1.029 42.898 42.059 -0.316 0.000 1.193 357 L HN 0.448 nan 8.230 nan 0.000 0.426 358 Y N 0.776 121.025 120.300 -0.085 0.000 2.485 358 Y HA 0.315 4.974 4.550 0.182 0.000 0.345 358 Y C 0.539 176.403 175.900 -0.061 0.000 0.998 358 Y CA -0.733 57.325 58.100 -0.070 0.000 1.059 358 Y CB 2.188 40.598 38.460 -0.084 0.000 1.234 358 Y HN 0.412 nan 8.280 nan 0.000 0.461 359 T N 2.576 117.171 114.554 0.069 0.000 2.870 359 T HA 0.003 4.456 4.350 0.172 0.000 0.300 359 T C 0.052 174.828 174.700 0.127 0.000 0.989 359 T CA -0.359 61.761 62.100 0.033 0.000 1.139 359 T CB -0.066 68.730 68.868 -0.119 0.000 0.920 359 T HN 0.377 nan 8.240 nan 0.000 0.537 360 N N 3.566 122.382 118.700 0.193 0.000 2.448 360 N HA 0.055 4.898 4.740 0.172 0.000 0.250 360 N C 1.144 176.832 175.510 0.297 0.000 1.136 360 N CA -0.255 52.917 53.050 0.203 0.000 0.953 360 N CB 0.301 38.888 38.487 0.166 0.000 1.251 360 N HN 0.320 nan 8.380 nan 0.000 0.502 361 V N 3.456 123.513 119.914 0.238 0.000 2.380 361 V HA -0.224 4.000 4.120 0.172 0.000 0.251 361 V C 2.356 178.602 176.094 0.253 0.000 1.063 361 V CA 2.281 64.727 62.300 0.242 0.000 1.055 361 V CB -1.073 30.818 31.823 0.113 0.000 0.657 361 V HN 0.757 nan 8.190 nan 0.000 0.455 362 G N -0.327 108.596 108.800 0.206 0.000 2.469 362 G HA2 -0.251 3.813 3.960 0.172 0.000 0.220 362 G HA3 -0.251 3.813 3.960 0.172 0.000 0.220 362 G C 1.387 176.372 174.900 0.141 0.000 1.136 362 G CA 0.779 45.985 45.100 0.176 0.000 0.759 362 G HN 0.555 nan 8.290 nan 0.000 0.562 363 E N -0.495 119.756 120.200 0.085 0.000 2.409 363 E HA -0.040 4.413 4.350 0.172 0.000 0.198 363 E C 0.882 177.287 176.600 -0.326 0.000 1.024 363 E CA 0.601 56.915 56.400 -0.142 0.000 0.861 363 E CB -0.010 29.513 29.700 -0.295 0.000 0.788 363 E HN 0.726 nan 8.360 nan 0.000 0.521 364 Y N -1.335 119.068 120.300 0.171 0.000 2.527 364 Y HA 0.085 4.742 4.550 0.179 0.000 0.247 364 Y C 1.882 177.946 175.900 0.273 0.000 1.138 364 Y CA -0.191 58.064 58.100 0.258 0.000 1.228 364 Y CB 0.476 39.069 38.460 0.222 0.000 1.252 364 Y HN -0.179 nan 8.280 nan 0.000 0.531 365 V N 0.081 120.126 119.914 0.219 0.000 2.392 365 V HA -0.321 3.903 4.120 0.172 0.000 0.249 365 V C 2.418 178.438 176.094 -0.123 0.000 1.059 365 V CA 2.229 64.525 62.300 -0.007 0.000 1.051 365 V CB -0.358 31.349 31.823 -0.194 0.000 0.658 365 V HN 0.327 nan 8.190 nan 0.000 0.455 366 Q N -0.415 119.412 119.800 0.045 0.000 2.030 366 Q HA -0.276 4.167 4.340 0.172 0.000 0.204 366 Q C 1.913 178.064 176.000 0.251 0.000 0.986 366 Q CA 2.644 58.568 55.803 0.200 0.000 0.843 366 Q CB -0.646 28.288 28.738 0.327 0.000 0.904 366 Q HN 0.733 nan 8.270 nan 0.000 0.420 367 W N 0.209 121.637 121.300 0.213 0.000 2.338 367 W HA -0.158 4.609 4.660 0.178 0.000 0.304 367 W C 1.651 178.209 176.519 0.066 0.000 1.212 367 W CA 1.790 59.270 57.345 0.226 0.000 1.264 367 W CB -0.309 29.366 29.460 0.358 0.000 1.142 367 W HN 0.224 nan 8.180 nan 0.000 0.512 368 I N 0.685 121.322 120.570 0.112 0.000 2.127 368 I HA -0.397 3.876 4.170 0.172 0.000 0.241 368 I C 2.778 178.696 176.117 -0.332 0.000 1.075 368 I CA 2.290 63.483 61.300 -0.178 0.000 1.334 368 I CB -1.194 36.864 38.000 0.097 0.000 1.040 368 I HN 0.152 nan 8.210 nan 0.000 0.405 369 T N -2.110 112.325 114.554 -0.198 0.000 2.746 369 T HA -0.187 4.266 4.350 0.172 0.000 0.267 369 T C 1.579 176.100 174.700 -0.298 0.000 1.039 369 T CA 1.514 63.472 62.100 -0.237 0.000 1.142 369 T CB -0.423 68.358 68.868 -0.145 0.000 0.866 369 T HN 0.239 nan 8.240 nan 0.000 0.444 370 D N 1.103 121.333 120.400 -0.283 0.000 2.149 370 D HA -0.027 4.716 4.640 0.172 0.000 0.201 370 D C 2.332 178.335 176.300 -0.495 0.000 0.972 370 D CA 1.482 55.279 54.000 -0.340 0.000 0.835 370 D CB -0.530 40.089 40.800 -0.302 0.000 0.966 370 D HN 0.445 nan 8.370 nan 0.000 0.476 371 T N 0.882 115.011 114.554 -0.708 0.000 2.777 371 T HA -0.065 4.388 4.350 0.172 0.000 0.266 371 T C 2.169 176.570 174.700 -0.498 0.000 1.040 371 T CA 0.811 62.479 62.100 -0.719 0.000 1.141 371 T CB -0.078 68.066 68.868 -1.207 0.000 0.868 371 T HN 0.106 nan 8.240 nan 0.000 0.444 372 M N 0.865 120.112 119.600 -0.589 0.000 2.159 372 M HA -0.020 4.563 4.480 0.172 0.000 0.263 372 M C 2.759 178.847 176.300 -0.353 0.000 1.063 372 M CA 1.399 56.303 55.300 -0.661 0.000 1.110 372 M CB -0.392 31.700 32.600 -0.848 0.000 1.374 372 M HN 0.307 nan 8.290 nan 0.000 0.411 373 A N 0.274 122.901 122.820 -0.321 0.000 1.873 373 A HA -0.164 4.259 4.320 0.172 0.000 0.215 373 A C 2.286 179.779 177.584 -0.151 0.000 1.186 373 A CA 2.148 54.049 52.037 -0.225 0.000 0.616 373 A CB -0.943 17.918 19.000 -0.233 0.000 0.823 373 A HN 0.569 nan 8.150 nan 0.000 0.442 374 S N 0.015 115.621 115.700 -0.158 0.000 2.428 374 S HA -0.112 4.462 4.470 0.172 0.000 0.230 374 S C 1.356 175.927 174.600 -0.048 0.000 1.014 374 S CA 1.387 59.535 58.200 -0.086 0.000 0.957 374 S CB -0.659 62.493 63.200 -0.080 0.000 0.784 374 S HN 0.631 nan 8.310 nan 0.000 0.499 375 N N 1.251 119.924 118.700 -0.046 0.000 2.422 375 N HA 0.401 5.244 4.740 0.172 0.000 0.181 375 N C 0.559 176.108 175.510 0.065 0.000 1.080 375 N CA 0.594 53.661 53.050 0.028 0.000 0.893 375 N CB 0.372 38.907 38.487 0.080 0.000 0.973 375 N HN 0.668 nan 8.380 nan 0.000 0.456 376 G N 0.034 108.859 108.800 0.042 0.000 2.879 376 G HA2 -0.197 3.866 3.960 0.172 0.000 0.686 376 G HA3 -0.197 3.866 3.960 0.172 0.000 0.686 376 G C 0.258 175.236 174.900 0.130 0.000 1.115 376 G CA -0.705 44.421 45.100 0.042 0.000 0.770 376 G HN 0.129 nan 8.290 nan 0.000 0.601 377 L N 1.185 122.450 121.223 0.070 0.000 2.156 377 L HA 0.146 4.590 4.340 0.172 0.000 0.208 377 L C 2.241 179.173 176.870 0.103 0.000 1.095 377 L CA 0.994 55.912 54.840 0.130 0.000 0.770 377 L CB -0.379 41.683 42.059 0.004 0.000 0.914 377 L HN 0.574 nan 8.230 nan 0.000 0.439 378 L N -1.685 119.559 121.223 0.034 0.000 2.666 378 L HA 0.200 4.643 4.340 0.172 0.000 0.213 378 L C 0.592 177.453 176.870 -0.016 0.000 1.734 378 L CA -0.800 54.040 54.840 -0.001 0.000 2.979 378 L CB -0.339 41.715 42.059 -0.010 0.000 2.784 378 L HN -0.017 nan 8.230 nan 0.000 0.797 379 E N 1.228 121.417 120.200 -0.018 0.000 2.418 379 E HA 0.091 4.545 4.350 0.172 0.000 0.261 379 E C -0.619 175.973 176.600 -0.013 0.000 1.070 379 E CA -0.097 56.290 56.400 -0.022 0.000 0.931 379 E CB 0.795 30.484 29.700 -0.018 0.000 0.954 379 E HN 0.240 nan 8.360 nan 0.000 0.439 380 S N 0.000 115.690 115.700 -0.016 0.000 2.498 380 S HA 0.000 4.573 4.470 0.172 0.000 0.327 380 S CA 0.000 58.196 58.200 -0.006 0.000 1.107 380 S CB 0.000 63.194 63.200 -0.009 0.000 0.593 380 S HN 0.000 nan 8.310 nan 0.000 0.517