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 1okk_1_A DATA FIRST_RESID 4 DATA SEQUENCE QLSARLQEAI GRLRGRGRIT EEDLKATLRE IRRALMDADV NLEVARDFVE DATA SEQUENCE RVREEALGKQ VLESLTPAEV ILATVYEALK EALGGEARLP VLKDRNLWFL DATA SEQUENCE VGLQGSGKTT TAAKLALYYK GKGRRPLLVA ADTQRPAARE QLRLLGEKVG DATA SEQUENCE VPVLEVMDGE SPESIRRRVE EKARLEARDL ILVDTAGRLQ IDEPLMGELA DATA SEQUENCE RLKEVLGPDE VLLVLDAMTG QEALSVARAF DEKVGVTGLV LTKLDGDARG DATA SEQUENCE GAALSARHVT GKPIYFAGVS EKPEGLEPFY PERLAGRILG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 4 Q CA 0.000 55.794 55.803 -0.015 0.000 1.022 4 Q CB 0.000 28.726 28.738 -0.020 0.000 1.108 5 L N 1.634 122.855 121.223 -0.003 0.000 2.466 5 L HA 0.365 4.705 4.340 0.000 0.000 0.257 5 L C 1.130 178.005 176.870 0.008 0.000 1.189 5 L CA -0.106 54.739 54.840 0.007 0.000 0.813 5 L CB 0.584 42.650 42.059 0.011 0.000 1.118 5 L HN 0.186 nan 8.230 nan 0.000 0.471 6 S N 0.434 116.141 115.700 0.012 0.000 2.573 6 S HA 0.146 4.616 4.470 0.000 0.000 0.277 6 S C 1.080 175.686 174.600 0.010 0.000 1.346 6 S CA -0.184 58.022 58.200 0.010 0.000 1.034 6 S CB 1.186 64.392 63.200 0.011 0.000 0.879 6 S HN 0.709 nan 8.310 nan 0.000 0.528 7 A N 2.327 125.151 122.820 0.008 0.000 1.883 7 A HA -0.160 4.160 4.320 0.000 0.000 0.217 7 A C 2.301 179.890 177.584 0.009 0.000 1.186 7 A CA 1.782 53.823 52.037 0.007 0.000 0.624 7 A CB -0.900 18.104 19.000 0.005 0.000 0.822 7 A HN 0.976 nan 8.150 nan 0.000 0.444 8 R N -0.425 120.081 120.500 0.010 0.000 2.081 8 R HA -0.048 4.292 4.340 0.000 0.000 0.235 8 R C 1.950 178.259 176.300 0.015 0.000 1.131 8 R CA 1.549 57.656 56.100 0.012 0.000 0.960 8 R CB -0.380 29.927 30.300 0.011 0.000 0.856 8 R HN 0.510 nan 8.270 nan 0.000 0.436 9 L N 0.471 121.705 121.223 0.018 0.000 2.056 9 L HA -0.138 4.202 4.340 0.000 0.000 0.207 9 L C 2.772 179.654 176.870 0.020 0.000 1.078 9 L CA 1.324 56.178 54.840 0.024 0.000 0.749 9 L CB -0.413 41.665 42.059 0.031 0.000 0.901 9 L HN 0.335 nan 8.230 nan 0.000 0.433 10 Q N -0.347 119.462 119.800 0.014 0.000 2.112 10 Q HA -0.297 4.043 4.340 0.000 0.000 0.206 10 Q C 2.125 178.131 176.000 0.009 0.000 0.987 10 Q CA 2.049 57.858 55.803 0.010 0.000 0.858 10 Q CB 0.015 28.757 28.738 0.006 0.000 0.905 10 Q HN 0.304 nan 8.270 nan 0.000 0.420 11 E N 0.140 120.345 120.200 0.010 0.000 2.072 11 E HA -0.119 4.231 4.350 0.000 0.000 0.191 11 E C 1.662 178.269 176.600 0.011 0.000 0.985 11 E CA 1.398 57.803 56.400 0.009 0.000 0.801 11 E CB -0.273 29.432 29.700 0.008 0.000 0.750 11 E HN 0.340 nan 8.360 nan 0.000 0.452 12 A N 0.797 123.625 122.820 0.014 0.000 1.877 12 A HA -0.138 4.182 4.320 0.000 0.000 0.216 12 A C 2.184 179.778 177.584 0.016 0.000 1.186 12 A CA 1.613 53.660 52.037 0.016 0.000 0.620 12 A CB -0.565 18.448 19.000 0.021 0.000 0.822 12 A HN 0.327 nan 8.150 nan 0.000 0.443 13 I N -0.235 120.346 120.570 0.018 0.000 2.193 13 I HA -0.106 4.064 4.170 0.000 0.000 0.240 13 I C 2.768 178.892 176.117 0.011 0.000 1.084 13 I CA 1.425 62.735 61.300 0.017 0.000 1.365 13 I CB -2.038 35.974 38.000 0.019 0.000 1.064 13 I HN 0.338 nan 8.210 nan 0.000 0.410 14 G N 1.986 110.791 108.800 0.009 0.000 2.469 14 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 14 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 14 G C 1.683 176.586 174.900 0.005 0.000 1.136 14 G CA 0.943 46.046 45.100 0.006 0.000 0.759 14 G HN 0.526 nan 8.290 nan 0.000 0.562 15 R N 0.183 120.686 120.500 0.006 0.000 2.280 15 R HA 0.216 4.556 4.340 0.000 0.000 0.207 15 R C 1.950 178.253 176.300 0.005 0.000 1.043 15 R CA 0.683 56.786 56.100 0.005 0.000 1.006 15 R CB -0.416 29.887 30.300 0.006 0.000 0.885 15 R HN 0.394 nan 8.270 nan 0.000 0.467 16 L N 0.467 121.693 121.223 0.006 0.000 2.270 16 L HA 0.133 4.473 4.340 0.000 0.000 0.210 16 L C 0.982 177.854 176.870 0.004 0.000 1.104 16 L CA 0.136 54.979 54.840 0.005 0.000 0.804 16 L CB -0.195 41.868 42.059 0.007 0.000 0.937 16 L HN 0.066 nan 8.230 nan 0.000 0.450 17 R N 0.793 121.295 120.500 0.004 0.000 2.484 17 R HA 0.147 4.487 4.340 0.000 0.000 0.293 17 R C 1.103 177.404 176.300 0.001 0.000 1.023 17 R CA 0.811 56.912 56.100 0.002 0.000 1.037 17 R CB 0.122 30.422 30.300 0.001 0.000 0.951 17 R HN 0.325 nan 8.270 nan 0.000 0.418 18 G N 2.732 111.533 108.800 0.001 0.000 2.155 18 G HA2 -0.294 3.666 3.960 0.000 0.000 0.257 18 G HA3 -0.294 3.666 3.960 0.000 0.000 0.257 18 G C 0.682 175.583 174.900 0.001 0.000 0.983 18 G CA -0.001 45.099 45.100 0.000 0.000 0.676 18 G HN 0.556 nan 8.290 nan 0.000 0.528 19 R N 0.184 120.685 120.500 0.001 0.000 2.397 19 R HA 0.440 4.780 4.340 0.000 0.000 0.241 19 R C 1.440 177.740 176.300 0.001 0.000 0.914 19 R CA 0.892 56.993 56.100 0.001 0.000 1.071 19 R CB 0.028 30.329 30.300 0.002 0.000 1.116 19 R HN 1.655 nan 8.270 nan 0.000 0.524 20 G N 1.692 110.493 108.800 0.001 0.000 2.698 20 G HA2 -0.267 3.693 3.960 0.000 0.000 0.225 20 G HA3 -0.267 3.693 3.960 0.000 0.000 0.225 20 G C -0.854 174.047 174.900 0.001 0.000 1.345 20 G CA -0.826 44.275 45.100 0.001 0.000 0.871 20 G HN 0.251 nan 8.290 nan 0.000 0.540 21 R N -0.280 120.220 120.500 0.001 0.000 2.590 21 R HA 0.453 4.793 4.340 0.000 0.000 0.274 21 R C 1.176 177.476 176.300 0.001 0.000 1.061 21 R CA 0.471 56.572 56.100 0.001 0.000 1.081 21 R CB 0.251 30.551 30.300 0.000 0.000 0.984 21 R HN 0.684 nan 8.270 nan 0.000 0.448 22 I N -1.732 118.839 120.570 0.001 0.000 2.783 22 I HA 0.461 4.631 4.170 0.000 0.000 0.312 22 I C 0.508 176.626 176.117 0.001 0.000 0.988 22 I CA -0.855 60.446 61.300 0.001 0.000 1.182 22 I CB 1.702 39.703 38.000 0.002 0.000 1.368 22 I HN 0.536 nan 8.210 nan 0.000 0.511 23 T N -1.440 113.115 114.554 0.001 0.000 2.936 23 T HA 0.255 4.605 4.350 0.000 0.000 0.282 23 T C 0.752 175.452 174.700 -0.000 0.000 1.003 23 T CA -0.520 61.580 62.100 0.000 0.000 1.005 23 T CB 1.721 70.590 68.868 0.000 0.000 1.097 23 T HN 0.783 nan 8.240 nan 0.000 0.532 24 E N 0.146 120.345 120.200 -0.001 0.000 2.204 24 E HA -0.199 4.151 4.350 0.000 0.000 0.195 24 E C 1.726 178.326 176.600 -0.000 0.000 0.990 24 E CA 1.272 57.671 56.400 -0.002 0.000 0.821 24 E CB -0.072 29.627 29.700 -0.003 0.000 0.750 24 E HN 0.898 nan 8.360 nan 0.000 0.477 25 E N 0.220 120.420 120.200 0.000 0.000 2.077 25 E HA -0.190 4.160 4.350 0.000 0.000 0.193 25 E C 1.514 178.115 176.600 0.003 0.000 0.989 25 E CA 1.428 57.829 56.400 0.001 0.000 0.800 25 E CB 0.101 29.802 29.700 0.002 0.000 0.746 25 E HN 0.201 nan 8.360 nan 0.000 0.452 26 D N 0.536 120.937 120.400 0.003 0.000 2.117 26 D HA -0.165 4.475 4.640 0.000 0.000 0.197 26 D C 2.040 178.343 176.300 0.005 0.000 0.987 26 D CA 0.646 54.648 54.000 0.004 0.000 0.829 26 D CB -0.228 40.574 40.800 0.004 0.000 0.961 26 D HN 0.210 nan 8.370 nan 0.000 0.460 27 L N 1.406 122.630 121.223 0.003 0.000 2.046 27 L HA -0.136 4.204 4.340 0.000 0.000 0.208 27 L C 2.143 179.015 176.870 0.004 0.000 1.077 27 L CA 1.755 56.597 54.840 0.003 0.000 0.747 27 L CB -0.424 41.634 42.059 -0.001 0.000 0.896 27 L HN -0.145 nan 8.230 nan 0.000 0.432 28 K N -0.593 119.809 120.400 0.003 0.000 2.026 28 K HA -0.177 4.143 4.320 0.000 0.000 0.208 28 K C 1.964 178.568 176.600 0.007 0.000 1.048 28 K CA 1.443 57.733 56.287 0.004 0.000 0.929 28 K CB -0.271 32.230 32.500 0.002 0.000 0.713 28 K HN 0.430 nan 8.250 nan 0.000 0.439 29 A N 0.572 123.396 122.820 0.008 0.000 1.933 29 A HA -0.115 4.205 4.320 0.000 0.000 0.218 29 A C 2.160 179.752 177.584 0.013 0.000 1.175 29 A CA 2.092 54.134 52.037 0.009 0.000 0.628 29 A CB -0.918 18.087 19.000 0.008 0.000 0.814 29 A HN 0.464 nan 8.150 nan 0.000 0.444 30 T N 0.525 115.087 114.554 0.013 0.000 2.737 30 T HA -0.065 4.285 4.350 0.000 0.000 0.265 30 T C 1.808 176.523 174.700 0.025 0.000 1.038 30 T CA 1.435 63.546 62.100 0.019 0.000 1.144 30 T CB -0.383 68.496 68.868 0.017 0.000 0.866 30 T HN 0.359 nan 8.240 nan 0.000 0.434 31 L N 0.590 121.826 121.223 0.022 0.000 2.131 31 L HA -0.062 4.278 4.340 0.000 0.000 0.210 31 L C 2.839 179.729 176.870 0.034 0.000 1.092 31 L CA 1.191 56.048 54.840 0.029 0.000 0.759 31 L CB -0.491 41.577 42.059 0.015 0.000 0.903 31 L HN 0.177 nan 8.230 nan 0.000 0.435 32 R N 0.170 120.685 120.500 0.024 0.000 2.091 32 R HA -0.180 4.160 4.340 0.000 0.000 0.238 32 R C 2.170 178.486 176.300 0.026 0.000 1.136 32 R CA 1.420 57.534 56.100 0.023 0.000 0.959 32 R CB 0.004 30.313 30.300 0.016 0.000 0.856 32 R HN 0.281 nan 8.270 nan 0.000 0.437 33 E N 0.474 120.689 120.200 0.025 0.000 2.106 33 E HA -0.146 4.204 4.350 0.000 0.000 0.192 33 E C 2.057 178.677 176.600 0.034 0.000 0.984 33 E CA 1.005 57.420 56.400 0.025 0.000 0.806 33 E CB -0.100 29.613 29.700 0.022 0.000 0.750 33 E HN 0.476 nan 8.360 nan 0.000 0.458 34 I N 0.660 121.258 120.570 0.047 0.000 2.226 34 I HA -0.262 3.908 4.170 0.000 0.000 0.245 34 I C 2.774 178.934 176.117 0.070 0.000 1.100 34 I CA 0.985 62.326 61.300 0.069 0.000 1.374 34 I CB -0.221 37.839 38.000 0.100 0.000 1.057 34 I HN 0.009 nan 8.210 nan 0.000 0.413 35 R N 1.045 121.586 120.500 0.068 0.000 2.083 35 R HA -0.182 4.158 4.340 0.000 0.000 0.237 35 R C 2.497 178.813 176.300 0.028 0.000 1.137 35 R CA 1.651 57.786 56.100 0.058 0.000 0.951 35 R CB -0.110 30.218 30.300 0.047 0.000 0.851 35 R HN 0.254 nan 8.270 nan 0.000 0.434 36 R N -0.385 120.129 120.500 0.023 0.000 2.096 36 R HA -0.071 4.269 4.340 0.000 0.000 0.235 36 R C 2.333 178.637 176.300 0.008 0.000 1.127 36 R CA 1.277 57.385 56.100 0.012 0.000 0.968 36 R CB -0.311 29.997 30.300 0.012 0.000 0.861 36 R HN 0.270 nan 8.270 nan 0.000 0.440 37 A N 1.265 124.092 122.820 0.012 0.000 1.902 37 A HA -0.135 4.185 4.320 0.000 0.000 0.217 37 A C 2.162 179.741 177.584 -0.008 0.000 1.181 37 A CA 1.174 53.215 52.037 0.007 0.000 0.623 37 A CB -0.526 18.484 19.000 0.017 0.000 0.818 37 A HN 0.178 nan 8.150 nan 0.000 0.443 38 L N -1.238 119.975 121.223 -0.016 0.000 2.083 38 L HA -0.208 4.132 4.340 0.000 0.000 0.209 38 L C 2.866 179.708 176.870 -0.047 0.000 1.083 38 L CA 1.481 56.288 54.840 -0.056 0.000 0.752 38 L CB -0.475 41.531 42.059 -0.089 0.000 0.899 38 L HN 0.427 nan 8.230 nan 0.000 0.433 39 M N -0.794 118.790 119.600 -0.027 0.000 2.132 39 M HA -0.203 4.277 4.480 0.000 0.000 0.263 39 M C 1.802 178.091 176.300 -0.018 0.000 1.065 39 M CA 1.410 56.697 55.300 -0.023 0.000 1.122 39 M CB -0.507 32.085 32.600 -0.013 0.000 1.365 39 M HN 0.172 nan 8.290 nan 0.000 0.411 40 D N 0.890 121.283 120.400 -0.012 0.000 2.133 40 D HA -0.136 4.504 4.640 0.000 0.000 0.195 40 D C 1.516 177.809 176.300 -0.012 0.000 0.997 40 D CA 1.589 55.584 54.000 -0.008 0.000 0.840 40 D CB -0.026 40.771 40.800 -0.004 0.000 0.947 40 D HN 0.353 nan 8.370 nan 0.000 0.452 41 A N 0.119 122.928 122.820 -0.019 0.000 2.302 41 A HA 0.015 4.335 4.320 0.000 0.000 0.219 41 A C 0.128 177.696 177.584 -0.028 0.000 1.243 41 A CA 0.289 52.313 52.037 -0.022 0.000 0.856 41 A CB 0.084 19.066 19.000 -0.029 0.000 0.893 41 A HN 0.084 nan 8.150 nan 0.000 0.491 42 D N -1.632 118.752 120.400 -0.026 0.000 3.090 42 D HA -0.130 4.510 4.640 0.000 0.000 0.215 42 D C -0.071 176.206 176.300 -0.040 0.000 1.140 42 D CA 0.985 54.969 54.000 -0.027 0.000 0.937 42 D CB -2.107 38.681 40.800 -0.019 0.000 1.108 42 D HN 0.274 nan 8.370 nan 0.000 0.420 43 V N 1.709 121.589 119.914 -0.057 0.000 2.585 43 V HA 0.002 4.122 4.120 0.000 0.000 0.296 43 V C 1.301 177.359 176.094 -0.060 0.000 1.035 43 V CA -0.378 61.875 62.300 -0.078 0.000 1.084 43 V CB 1.280 33.031 31.823 -0.121 0.000 0.953 43 V HN 0.229 nan 8.190 nan 0.000 0.483 44 N N 4.162 122.827 118.700 -0.058 0.000 2.407 44 N HA 0.016 4.756 4.740 0.000 0.000 0.250 44 N C 1.294 176.776 175.510 -0.048 0.000 1.236 44 N CA -0.113 52.911 53.050 -0.043 0.000 0.879 44 N CB 1.032 39.498 38.487 -0.035 0.000 1.088 44 N HN 0.753 nan 8.380 nan 0.000 0.450 45 L N 1.603 122.808 121.223 -0.030 0.000 2.079 45 L HA -0.112 4.228 4.340 0.000 0.000 0.210 45 L C 1.648 178.502 176.870 -0.027 0.000 1.081 45 L CA 1.302 56.128 54.840 -0.023 0.000 0.752 45 L CB -0.379 41.673 42.059 -0.012 0.000 0.896 45 L HN 0.555 nan 8.230 nan 0.000 0.433 46 E N 0.669 120.850 120.200 -0.031 0.000 2.072 46 E HA -0.123 4.227 4.350 0.000 0.000 0.190 46 E C 2.364 178.913 176.600 -0.084 0.000 0.982 46 E CA 1.315 57.694 56.400 -0.034 0.000 0.803 46 E CB -0.125 29.567 29.700 -0.014 0.000 0.755 46 E HN 0.422 nan 8.360 nan 0.000 0.453 47 V N 1.371 121.196 119.914 -0.148 0.000 2.427 47 V HA -0.229 3.891 4.120 0.000 0.000 0.248 47 V C 2.300 178.294 176.094 -0.167 0.000 1.051 47 V CA 1.726 63.834 62.300 -0.320 0.000 1.048 47 V CB -0.626 31.002 31.823 -0.325 0.000 0.666 47 V HN 0.303 nan 8.190 nan 0.000 0.456 48 A N 0.053 122.824 122.820 -0.082 0.000 1.933 48 A HA -0.242 4.078 4.320 0.000 0.000 0.218 48 A C 2.403 180.024 177.584 0.063 0.000 1.175 48 A CA 2.014 54.049 52.037 -0.004 0.000 0.628 48 A CB -0.521 18.467 19.000 -0.019 0.000 0.814 48 A HN 0.486 nan 8.150 nan 0.000 0.444 49 R N -0.335 120.176 120.500 0.018 0.000 2.073 49 R HA -0.158 4.182 4.340 0.000 0.000 0.234 49 R C 1.516 177.836 176.300 0.033 0.000 1.134 49 R CA 1.828 57.943 56.100 0.026 0.000 0.952 49 R CB -0.343 29.962 30.300 0.010 0.000 0.850 49 R HN 0.420 nan 8.270 nan 0.000 0.433 50 D N -0.087 120.321 120.400 0.013 0.000 2.123 50 D HA -0.204 4.436 4.640 0.000 0.000 0.196 50 D C 1.533 177.869 176.300 0.060 0.000 0.992 50 D CA 1.140 55.158 54.000 0.031 0.000 0.833 50 D CB -0.333 40.482 40.800 0.026 0.000 0.954 50 D HN 0.203 nan 8.370 nan 0.000 0.455 51 F N 1.405 121.316 119.950 -0.064 0.000 2.102 51 F HA -0.221 4.306 4.527 0.000 0.000 0.298 51 F C 2.242 178.033 175.800 -0.015 0.000 1.105 51 F CA 1.515 59.494 58.000 -0.034 0.000 1.239 51 F CB -0.308 38.662 39.000 -0.051 0.000 0.991 51 F HN -0.058 nan 8.300 nan 0.000 0.474 52 V N -2.003 117.949 119.914 0.063 0.000 2.667 52 V HA -0.150 3.970 4.120 0.000 0.000 0.252 52 V C 1.896 177.936 176.094 -0.089 0.000 1.065 52 V CA 1.833 64.112 62.300 -0.035 0.000 1.083 52 V CB -0.994 30.873 31.823 0.075 0.000 0.692 52 V HN 0.427 nan 8.190 nan 0.000 0.468 53 E N 0.830 120.997 120.200 -0.055 0.000 2.077 53 E HA -0.223 4.127 4.350 0.000 0.000 0.193 53 E C 2.410 178.955 176.600 -0.091 0.000 0.989 53 E CA 1.577 57.946 56.400 -0.052 0.000 0.800 53 E CB -0.269 29.419 29.700 -0.020 0.000 0.746 53 E HN 0.645 nan 8.360 nan 0.000 0.452 54 R N 1.004 121.422 120.500 -0.137 0.000 2.073 54 R HA -0.150 4.190 4.340 0.000 0.000 0.234 54 R C 2.259 178.428 176.300 -0.218 0.000 1.134 54 R CA 1.406 57.406 56.100 -0.168 0.000 0.952 54 R CB -0.296 29.887 30.300 -0.194 0.000 0.850 54 R HN 0.036 nan 8.270 nan 0.000 0.433 55 V N 1.679 121.388 119.914 -0.341 0.000 2.332 55 V HA -0.276 3.844 4.120 0.000 0.000 0.248 55 V C 2.697 178.707 176.094 -0.141 0.000 1.055 55 V CA 2.264 64.396 62.300 -0.281 0.000 1.038 55 V CB -0.771 30.855 31.823 -0.329 0.000 0.651 55 V HN 0.449 nan 8.190 nan 0.000 0.450 56 R N 0.043 120.477 120.500 -0.110 0.000 2.083 56 R HA -0.196 4.144 4.340 0.000 0.000 0.237 56 R C 2.288 178.556 176.300 -0.054 0.000 1.137 56 R CA 1.896 57.959 56.100 -0.062 0.000 0.951 56 R CB -0.196 30.077 30.300 -0.045 0.000 0.851 56 R HN 0.500 nan 8.270 nan 0.000 0.434 57 E N 0.614 120.778 120.200 -0.060 0.000 2.106 57 E HA -0.165 4.185 4.350 0.000 0.000 0.192 57 E C 1.889 178.462 176.600 -0.046 0.000 0.984 57 E CA 1.139 57.512 56.400 -0.045 0.000 0.806 57 E CB -0.095 29.580 29.700 -0.042 0.000 0.750 57 E HN 0.545 nan 8.360 nan 0.000 0.458 58 E N 0.823 120.986 120.200 -0.062 0.000 2.072 58 E HA -0.110 4.240 4.350 0.000 0.000 0.191 58 E C 2.049 178.626 176.600 -0.038 0.000 0.985 58 E CA 0.990 57.358 56.400 -0.053 0.000 0.801 58 E CB -0.070 29.587 29.700 -0.071 0.000 0.750 58 E HN 0.194 nan 8.360 nan 0.000 0.452 59 A N 1.164 123.960 122.820 -0.041 0.000 1.898 59 A HA -0.146 4.174 4.320 0.000 0.000 0.216 59 A C 2.189 179.761 177.584 -0.019 0.000 1.181 59 A CA 0.953 52.975 52.037 -0.025 0.000 0.620 59 A CB -0.627 18.358 19.000 -0.024 0.000 0.819 59 A HN 0.126 nan 8.150 nan 0.000 0.442 60 L N -0.679 120.531 121.223 -0.021 0.000 2.012 60 L HA -0.163 4.177 4.340 0.000 0.000 0.210 60 L C 2.803 179.665 176.870 -0.014 0.000 1.073 60 L CA 1.233 56.064 54.840 -0.016 0.000 0.748 60 L CB -0.764 41.285 42.059 -0.017 0.000 0.891 60 L HN 0.506 nan 8.230 nan 0.000 0.431 61 G N -0.361 108.429 108.800 -0.017 0.000 2.448 61 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 61 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 61 G C 1.527 176.421 174.900 -0.011 0.000 1.127 61 G CA 0.313 45.404 45.100 -0.014 0.000 0.766 61 G HN 0.317 nan 8.290 nan 0.000 0.552 62 K N 0.153 120.547 120.400 -0.011 0.000 2.505 62 K HA 0.085 4.405 4.320 0.000 0.000 0.192 62 K C 0.522 177.120 176.600 -0.004 0.000 1.025 62 K CA -0.048 56.236 56.287 -0.006 0.000 1.086 62 K CB 0.212 32.709 32.500 -0.005 0.000 0.840 62 K HN 0.052 nan 8.250 nan 0.000 0.514 63 Q N -0.246 119.551 119.800 -0.005 0.000 2.478 63 Q HA -0.198 4.142 4.340 0.000 0.000 0.286 63 Q C 0.881 176.879 176.000 -0.003 0.000 1.299 63 Q CA 0.480 56.281 55.803 -0.004 0.000 0.826 63 Q CB -2.296 26.440 28.738 -0.003 0.000 1.199 63 Q HN 0.296 nan 8.270 nan 0.000 0.451 64 V N -0.087 119.825 119.914 -0.004 0.000 2.469 64 V HA -0.227 3.893 4.120 0.000 0.000 0.251 64 V C 1.965 178.058 176.094 -0.001 0.000 1.064 64 V CA 2.221 64.519 62.300 -0.002 0.000 1.066 64 V CB -0.136 31.685 31.823 -0.003 0.000 0.667 64 V HN 0.583 nan 8.190 nan 0.000 0.461 65 L N -0.292 120.930 121.223 -0.002 0.000 2.456 65 L HA -0.008 4.332 4.340 0.000 0.000 0.224 65 L C 2.118 178.987 176.870 -0.001 0.000 1.148 65 L CA 0.978 55.817 54.840 -0.002 0.000 0.825 65 L CB -0.408 41.649 42.059 -0.003 0.000 0.937 65 L HN 0.393 nan 8.230 nan 0.000 0.450 66 E N -0.871 119.328 120.200 -0.001 0.000 2.498 66 E HA 0.084 4.434 4.350 0.000 0.000 0.203 66 E C 0.665 177.265 176.600 -0.000 0.000 1.013 66 E CA 0.000 56.400 56.400 -0.001 0.000 0.927 66 E CB 0.719 30.419 29.700 -0.001 0.000 1.012 66 E HN 0.118 nan 8.360 nan 0.000 0.482 67 S N 0.877 116.577 115.700 0.000 0.000 2.562 67 S HA 0.133 4.603 4.470 0.000 0.000 0.281 67 S C 1.220 175.821 174.600 0.001 0.000 1.333 67 S CA -0.324 57.876 58.200 0.001 0.000 1.052 67 S CB 0.439 63.641 63.200 0.002 0.000 0.884 67 S HN 0.160 nan 8.310 nan 0.000 0.506 68 L N 3.520 124.744 121.223 0.001 0.000 2.558 68 L HA 0.124 4.464 4.340 0.000 0.000 0.225 68 L C 1.147 178.017 176.870 0.001 0.000 1.128 68 L CA 0.448 55.288 54.840 0.001 0.000 0.868 68 L CB -0.468 41.591 42.059 0.000 0.000 1.006 68 L HN 0.813 nan 8.230 nan 0.000 0.454 69 T N -4.398 110.157 114.554 0.002 0.000 3.630 69 T HA 0.256 4.606 4.350 0.000 0.000 0.238 69 T C -1.829 172.873 174.700 0.004 0.000 1.195 69 T CA -1.286 60.816 62.100 0.002 0.000 1.433 69 T CB 0.550 69.419 68.868 0.002 0.000 0.940 69 T HN -0.115 nan 8.240 nan 0.000 0.641 70 P HA -0.080 nan 4.420 nan 0.000 0.218 70 P C 1.745 179.050 177.300 0.009 0.000 1.148 70 P CA 1.159 64.263 63.100 0.006 0.000 0.822 70 P CB -0.010 31.693 31.700 0.004 0.000 0.784 71 A N 0.487 123.312 122.820 0.008 0.000 1.902 71 A HA -0.210 4.110 4.320 0.000 0.000 0.217 71 A C 2.183 179.775 177.584 0.013 0.000 1.181 71 A CA 1.911 53.954 52.037 0.010 0.000 0.623 71 A CB -1.194 17.811 19.000 0.007 0.000 0.818 71 A HN 0.120 nan 8.150 nan 0.000 0.443 72 E N -0.515 119.690 120.200 0.009 0.000 2.107 72 E HA -0.045 4.305 4.350 0.000 0.000 0.191 72 E C 1.961 178.571 176.600 0.017 0.000 0.982 72 E CA 1.008 57.414 56.400 0.009 0.000 0.809 72 E CB -0.367 29.334 29.700 0.003 0.000 0.756 72 E HN 0.320 nan 8.360 nan 0.000 0.459 73 V N 0.834 120.757 119.914 0.015 0.000 2.343 73 V HA -0.234 3.886 4.120 0.000 0.000 0.247 73 V C 2.109 178.218 176.094 0.024 0.000 1.051 73 V CA 1.497 63.808 62.300 0.018 0.000 1.036 73 V CB -0.379 31.450 31.823 0.011 0.000 0.654 73 V HN 0.257 nan 8.190 nan 0.000 0.451 74 I N -0.650 119.934 120.570 0.023 0.000 2.202 74 I HA -0.234 3.936 4.170 0.000 0.000 0.242 74 I C 2.390 178.537 176.117 0.050 0.000 1.091 74 I CA 1.328 62.645 61.300 0.028 0.000 1.368 74 I CB -0.364 37.650 38.000 0.024 0.000 1.058 74 I HN 0.303 nan 8.210 nan 0.000 0.410 75 L N 1.250 122.503 121.223 0.051 0.000 2.012 75 L HA -0.175 4.165 4.340 0.000 0.000 0.210 75 L C 2.541 179.475 176.870 0.106 0.000 1.073 75 L CA 2.236 57.118 54.840 0.071 0.000 0.748 75 L CB -0.792 41.292 42.059 0.042 0.000 0.891 75 L HN 0.196 nan 8.230 nan 0.000 0.431 76 A N -1.834 121.036 122.820 0.084 0.000 1.933 76 A HA -0.177 4.143 4.320 0.000 0.000 0.218 76 A C 2.245 179.912 177.584 0.138 0.000 1.175 76 A CA 2.143 54.250 52.037 0.117 0.000 0.628 76 A CB -1.140 17.902 19.000 0.070 0.000 0.814 76 A HN 0.523 nan 8.150 nan 0.000 0.444 77 T N -0.316 114.289 114.554 0.085 0.000 2.746 77 T HA -0.112 4.238 4.350 0.000 0.000 0.267 77 T C 1.894 176.636 174.700 0.070 0.000 1.039 77 T CA 1.580 63.711 62.100 0.053 0.000 1.142 77 T CB -0.415 68.460 68.868 0.012 0.000 0.866 77 T HN 0.163 nan 8.240 nan 0.000 0.444 78 V N 0.565 120.548 119.914 0.115 0.000 2.295 78 V HA -0.178 3.942 4.120 0.000 0.000 0.246 78 V C 2.042 178.291 176.094 0.258 0.000 1.049 78 V CA 1.735 64.156 62.300 0.203 0.000 1.024 78 V CB -0.735 31.219 31.823 0.217 0.000 0.648 78 V HN 0.512 nan 8.190 nan 0.000 0.447 79 Y N 1.254 121.623 120.300 0.115 0.000 2.145 79 Y HA -0.223 4.327 4.550 0.000 0.000 0.286 79 Y C 2.539 178.495 175.900 0.094 0.000 1.145 79 Y CA 2.102 60.257 58.100 0.092 0.000 1.148 79 Y CB -0.242 38.249 38.460 0.051 0.000 0.981 79 Y HN 0.360 nan 8.280 nan 0.000 0.507 80 E N 0.028 120.229 120.200 0.002 0.000 2.077 80 E HA -0.199 4.151 4.350 0.000 0.000 0.193 80 E C 2.382 178.944 176.600 -0.063 0.000 0.989 80 E CA 0.986 57.343 56.400 -0.071 0.000 0.800 80 E CB -0.359 29.375 29.700 0.056 0.000 0.746 80 E HN 0.580 nan 8.360 nan 0.000 0.452 81 A N 1.274 124.108 122.820 0.023 0.000 1.933 81 A HA -0.160 4.160 4.320 0.000 0.000 0.218 81 A C 2.159 179.894 177.584 0.252 0.000 1.175 81 A CA 0.991 53.074 52.037 0.075 0.000 0.628 81 A CB -0.437 18.518 19.000 -0.074 0.000 0.814 81 A HN 0.202 nan 8.150 nan 0.000 0.444 82 L N -0.015 121.373 121.223 0.275 0.000 2.056 82 L HA -0.070 4.270 4.340 0.000 0.000 0.207 82 L C 2.273 179.113 176.870 -0.049 0.000 1.078 82 L CA 2.547 57.453 54.840 0.111 0.000 0.749 82 L CB -0.606 41.426 42.059 -0.045 0.000 0.901 82 L HN 0.471 nan 8.230 nan 0.000 0.433 83 K N -0.538 119.735 120.400 -0.212 0.000 2.032 83 K HA -0.289 4.031 4.320 0.000 0.000 0.209 83 K C 2.132 178.687 176.600 -0.076 0.000 1.048 83 K CA 1.963 58.116 56.287 -0.223 0.000 0.927 83 K CB -0.164 32.086 32.500 -0.416 0.000 0.712 83 K HN 0.347 nan 8.250 nan 0.000 0.441 84 E N 0.206 120.380 120.200 -0.044 0.000 2.077 84 E HA -0.122 4.228 4.350 0.000 0.000 0.193 84 E C 1.639 178.261 176.600 0.037 0.000 0.989 84 E CA 1.488 57.890 56.400 0.003 0.000 0.800 84 E CB -0.219 29.485 29.700 0.007 0.000 0.746 84 E HN 0.429 nan 8.360 nan 0.000 0.452 85 A N 0.052 122.920 122.820 0.080 0.000 2.015 85 A HA -0.064 4.256 4.320 0.000 0.000 0.219 85 A C 2.007 179.631 177.584 0.067 0.000 1.163 85 A CA 0.980 53.082 52.037 0.108 0.000 0.646 85 A CB -0.437 18.690 19.000 0.211 0.000 0.806 85 A HN 0.334 nan 8.150 nan 0.000 0.448 86 L N -1.775 119.485 121.223 0.062 0.000 2.591 86 L HA 0.232 4.572 4.340 0.000 0.000 0.228 86 L C 1.636 178.590 176.870 0.140 0.000 1.133 86 L CA 0.640 55.546 54.840 0.110 0.000 0.880 86 L CB 0.155 42.324 42.059 0.184 0.000 1.033 86 L HN 0.562 nan 8.230 nan 0.000 0.450 87 G N -1.945 106.897 108.800 0.070 0.000 2.318 87 G HA2 -0.067 3.893 3.960 0.000 0.000 0.172 87 G HA3 -0.067 3.893 3.960 0.000 0.000 0.172 87 G C 0.853 175.773 174.900 0.035 0.000 1.002 87 G CA -0.311 44.818 45.100 0.048 0.000 0.697 87 G HN 0.441 nan 8.290 nan 0.000 0.483 88 G N -0.219 108.596 108.800 0.025 0.000 5.155 88 G HA2 -0.231 3.729 3.960 0.000 0.000 0.239 88 G HA3 -0.231 3.729 3.960 0.000 0.000 0.239 88 G C 0.119 175.028 174.900 0.015 0.000 1.409 88 G CA 1.270 46.375 45.100 0.008 0.000 0.927 88 G HN 1.250 nan 8.290 nan 0.000 0.710 89 E N 0.539 120.757 120.200 0.031 0.000 2.410 89 E HA 0.685 5.035 4.350 0.000 0.000 0.269 89 E C 0.347 176.979 176.600 0.054 0.000 0.937 89 E CA -0.138 56.291 56.400 0.049 0.000 0.793 89 E CB 1.511 31.241 29.700 0.050 0.000 1.314 89 E HN 1.159 nan 8.360 nan 0.000 0.447 90 A N 1.261 124.125 122.820 0.073 0.000 2.531 90 A HA 0.305 4.625 4.320 0.000 0.000 0.236 90 A C 0.239 177.834 177.584 0.019 0.000 1.062 90 A CA 0.498 52.543 52.037 0.014 0.000 0.760 90 A CB 0.088 19.097 19.000 0.014 0.000 0.995 90 A HN 0.508 nan 8.150 nan 0.000 0.501 91 R N 1.746 122.245 120.500 -0.002 0.000 2.566 91 R HA 0.605 4.945 4.340 0.000 0.000 0.271 91 R C -1.639 174.689 176.300 0.047 0.000 1.071 91 R CA -0.562 55.558 56.100 0.034 0.000 0.915 91 R CB 1.086 31.419 30.300 0.056 0.000 1.228 91 R HN 0.731 nan 8.270 nan 0.000 0.449 92 L N 3.666 124.890 121.223 0.002 0.000 2.313 92 L HA 0.662 5.002 4.340 0.000 0.000 0.268 92 L C -2.018 174.731 176.870 -0.201 0.000 1.010 92 L CA -2.553 52.196 54.840 -0.153 0.000 0.814 92 L CB 1.881 43.895 42.059 -0.074 0.000 1.304 92 L HN 0.529 nan 8.230 nan 0.000 0.441 93 P HA 0.029 nan 4.420 nan 0.000 0.268 93 P C -0.694 176.552 177.300 -0.091 0.000 1.205 93 P CA -0.261 62.492 63.100 -0.578 0.000 0.771 93 P CB 0.464 31.576 31.700 -0.980 0.000 0.858 94 V N 4.634 124.530 119.914 -0.029 0.000 2.479 94 V HA 0.026 4.146 4.120 0.000 0.000 0.281 94 V C 0.690 176.844 176.094 0.100 0.000 1.031 94 V CA 0.050 62.381 62.300 0.051 0.000 1.038 94 V CB -0.288 31.561 31.823 0.043 0.000 0.981 94 V HN 0.347 nan 8.190 nan 0.000 0.478 95 L N 6.264 127.555 121.223 0.113 0.000 2.371 95 L HA 0.444 4.784 4.340 0.000 0.000 0.272 95 L C 0.376 177.284 176.870 0.064 0.000 1.124 95 L CA -0.154 54.745 54.840 0.099 0.000 0.816 95 L CB 0.646 42.754 42.059 0.083 0.000 1.129 95 L HN 0.622 nan 8.230 nan 0.000 0.448 96 K N 0.840 121.268 120.400 0.046 0.000 2.312 96 K HA 0.283 4.603 4.320 0.000 0.000 0.236 96 K C 0.115 176.716 176.600 0.002 0.000 1.079 96 K CA -0.986 55.318 56.287 0.028 0.000 0.900 96 K CB 1.013 33.534 32.500 0.034 0.000 1.297 96 K HN 0.358 nan 8.250 nan 0.000 0.498 97 D N 0.679 121.079 120.400 0.000 0.000 2.144 97 D HA -0.123 4.517 4.640 0.000 0.000 0.199 97 D C 0.360 176.642 176.300 -0.029 0.000 0.984 97 D CA 1.449 55.443 54.000 -0.011 0.000 0.834 97 D CB 0.133 40.930 40.800 -0.006 0.000 0.955 97 D HN 0.279 nan 8.370 nan 0.000 0.465 98 R N 0.332 120.815 120.500 -0.028 0.000 2.502 98 R HA 0.419 4.759 4.340 0.000 0.000 0.300 98 R C -1.617 174.654 176.300 -0.048 0.000 0.984 98 R CA -0.531 55.541 56.100 -0.046 0.000 0.882 98 R CB 0.937 31.221 30.300 -0.027 0.000 1.180 98 R HN -0.244 nan 8.270 nan 0.000 0.444 99 N N 3.239 121.867 118.700 -0.120 0.000 2.296 99 N HA 0.449 5.189 4.740 0.000 0.000 0.294 99 N C -1.787 173.580 175.510 -0.239 0.000 1.033 99 N CA -0.708 52.248 53.050 -0.157 0.000 0.839 99 N CB 2.380 40.651 38.487 -0.361 0.000 1.395 99 N HN 0.439 nan 8.380 nan 0.000 0.479 100 L N 2.583 123.776 121.223 -0.049 0.000 2.441 100 L HA 0.618 4.958 4.340 0.000 0.000 0.270 100 L C -1.711 175.348 176.870 0.314 0.000 0.973 100 L CA -0.551 54.305 54.840 0.026 0.000 0.842 100 L CB 0.763 42.867 42.059 0.074 0.000 1.239 100 L HN 0.536 nan 8.230 nan 0.000 0.406 101 W N 3.990 125.335 121.300 0.074 0.000 2.666 101 W HA 0.485 5.145 4.660 -0.000 0.000 0.334 101 W C -0.714 175.998 176.519 0.320 0.000 1.051 101 W CA -1.284 56.123 57.345 0.102 0.000 1.224 101 W CB 1.323 30.807 29.460 0.040 0.000 1.405 101 W HN 0.144 nan 8.180 nan 0.000 0.513 102 F N 2.497 122.580 119.950 0.221 0.000 2.399 102 F HA 0.486 5.013 4.527 0.000 0.000 0.334 102 F C 0.109 175.977 175.800 0.114 0.000 1.097 102 F CA -1.990 56.091 58.000 0.134 0.000 1.076 102 F CB 0.693 39.752 39.000 0.099 0.000 1.162 102 F HN -0.154 nan 8.300 nan 0.000 0.495 103 L N 4.249 125.611 121.223 0.231 0.000 2.280 103 L HA 0.679 5.019 4.340 0.000 0.000 0.287 103 L C -0.190 176.722 176.870 0.070 0.000 1.023 103 L CA -0.635 54.279 54.840 0.122 0.000 0.819 103 L CB 1.265 43.371 42.059 0.079 0.000 1.212 103 L HN 0.446 nan 8.230 nan 0.000 0.420 104 V N 0.147 120.079 119.914 0.030 0.000 3.141 104 V HA 1.138 5.258 4.120 0.000 0.000 0.312 104 V C -0.013 175.929 176.094 -0.254 0.000 1.157 104 V CA -0.048 62.239 62.300 -0.023 0.000 1.041 104 V CB 1.660 33.545 31.823 0.104 0.000 1.071 104 V HN 0.919 nan 8.190 nan 0.000 0.441 105 G N 0.485 109.060 108.800 -0.375 0.000 2.369 105 G HA2 0.255 4.215 3.960 0.000 0.000 0.293 105 G HA3 0.255 4.215 3.960 0.000 0.000 0.293 105 G C -1.337 173.485 174.900 -0.130 0.000 1.301 105 G CA -0.653 44.127 45.100 -0.533 0.000 0.913 105 G HN 1.089 nan 8.290 nan 0.000 0.540 106 L N 0.261 121.436 121.223 -0.080 0.000 2.464 106 L HA 0.323 4.663 4.340 0.000 0.000 0.264 106 L C 0.929 177.813 176.870 0.024 0.000 1.199 106 L CA -0.544 54.324 54.840 0.047 0.000 0.818 106 L CB 0.424 42.507 42.059 0.039 0.000 1.102 106 L HN 0.576 nan 8.230 nan 0.000 0.473 107 Q N 1.427 121.252 119.800 0.042 0.000 2.264 107 Q HA 0.198 4.538 4.340 0.000 0.000 0.296 107 Q C 0.949 176.956 176.000 0.011 0.000 1.103 107 Q CA 1.282 57.100 55.803 0.025 0.000 0.967 107 Q CB 0.038 28.792 28.738 0.028 0.000 1.090 107 Q HN 0.849 nan 8.270 nan 0.000 0.379 108 G N 1.214 110.017 108.800 0.004 0.000 2.175 108 G HA2 -0.344 3.616 3.960 0.000 0.000 0.244 108 G HA3 -0.344 3.616 3.960 0.000 0.000 0.244 108 G C 0.991 175.887 174.900 -0.007 0.000 0.982 108 G CA 0.493 45.592 45.100 -0.000 0.000 0.641 108 G HN 0.779 nan 8.290 nan 0.000 0.527 109 S N -0.229 115.462 115.700 -0.016 0.000 2.474 109 S HA 0.365 4.835 4.470 0.000 0.000 0.235 109 S C 2.107 176.693 174.600 -0.023 0.000 0.997 109 S CA 1.702 59.886 58.200 -0.027 0.000 0.949 109 S CB 0.032 63.201 63.200 -0.052 0.000 0.766 109 S HN 2.416 nan 8.310 nan 0.000 0.517 110 G N 0.679 109.468 108.800 -0.017 0.000 2.151 110 G HA2 -0.157 3.803 3.960 0.000 0.000 0.140 110 G HA3 -0.157 3.803 3.960 0.000 0.000 0.140 110 G C 0.569 175.462 174.900 -0.012 0.000 1.020 110 G CA 0.113 45.206 45.100 -0.012 0.000 0.688 110 G HN 0.457 nan 8.290 nan 0.000 0.500 111 K N -0.226 120.166 120.400 -0.014 0.000 2.025 111 K HA -0.017 4.303 4.320 0.000 0.000 0.207 111 K C 2.546 179.145 176.600 -0.001 0.000 1.049 111 K CA 1.793 58.075 56.287 -0.009 0.000 0.933 111 K CB -0.221 32.271 32.500 -0.013 0.000 0.714 111 K HN 0.275 nan 8.250 nan 0.000 0.438 112 T N 0.727 115.278 114.554 -0.004 0.000 2.737 112 T HA -0.107 4.243 4.350 0.000 0.000 0.265 112 T C 1.930 176.629 174.700 -0.002 0.000 1.038 112 T CA 1.707 63.805 62.100 -0.003 0.000 1.144 112 T CB -0.311 68.554 68.868 -0.005 0.000 0.866 112 T HN 0.261 nan 8.240 nan 0.000 0.434 113 T N 1.720 116.272 114.554 -0.003 0.000 2.746 113 T HA -0.111 4.239 4.350 0.000 0.000 0.267 113 T C 2.249 176.945 174.700 -0.007 0.000 1.039 113 T CA 1.600 63.698 62.100 -0.004 0.000 1.142 113 T CB -0.654 68.212 68.868 -0.003 0.000 0.866 113 T HN 0.372 nan 8.240 nan 0.000 0.444 114 T N 1.805 116.354 114.554 -0.008 0.000 2.821 114 T HA 0.038 4.388 4.350 0.000 0.000 0.267 114 T C 2.391 177.088 174.700 -0.005 0.000 1.046 114 T CA 0.999 63.089 62.100 -0.016 0.000 1.139 114 T CB -0.477 68.386 68.868 -0.009 0.000 0.871 114 T HN 0.429 nan 8.240 nan 0.000 0.454 115 A N 1.469 124.298 122.820 0.014 0.000 1.908 115 A HA 0.104 4.424 4.320 0.000 0.000 0.218 115 A C 2.615 180.209 177.584 0.017 0.000 1.181 115 A CA 1.875 53.930 52.037 0.030 0.000 0.627 115 A CB -1.041 17.974 19.000 0.025 0.000 0.818 115 A HN 0.509 nan 8.150 nan 0.000 0.445 116 A N -0.409 122.414 122.820 0.006 0.000 1.929 116 A HA -0.096 4.224 4.320 0.000 0.000 0.216 116 A C 2.088 179.675 177.584 0.006 0.000 1.176 116 A CA 1.673 53.713 52.037 0.005 0.000 0.628 116 A CB -0.381 18.620 19.000 0.002 0.000 0.816 116 A HN 0.538 nan 8.150 nan 0.000 0.444 117 K N -0.295 120.100 120.400 -0.009 0.000 2.063 117 K HA -0.071 4.249 4.320 0.000 0.000 0.208 117 K C 1.807 178.390 176.600 -0.028 0.000 1.048 117 K CA 1.481 57.753 56.287 -0.024 0.000 0.928 117 K CB -0.404 32.058 32.500 -0.064 0.000 0.713 117 K HN 0.449 nan 8.250 nan 0.000 0.442 118 L N 0.403 121.603 121.223 -0.037 0.000 2.083 118 L HA -0.189 4.151 4.340 0.000 0.000 0.209 118 L C 2.562 179.535 176.870 0.172 0.000 1.083 118 L CA 1.058 55.923 54.840 0.042 0.000 0.752 118 L CB -0.536 41.588 42.059 0.108 0.000 0.899 118 L HN 0.227 nan 8.230 nan 0.000 0.433 119 A N -0.064 122.806 122.820 0.083 0.000 1.877 119 A HA -0.228 4.092 4.320 0.000 0.000 0.216 119 A C 2.202 179.831 177.584 0.074 0.000 1.186 119 A CA 1.724 53.799 52.037 0.064 0.000 0.620 119 A CB -0.695 18.316 19.000 0.019 0.000 0.822 119 A HN 0.311 nan 8.150 nan 0.000 0.443 120 L N -1.792 119.464 121.223 0.056 0.000 2.056 120 L HA -0.117 4.223 4.340 0.000 0.000 0.207 120 L C 2.295 179.188 176.870 0.037 0.000 1.078 120 L CA 2.254 57.117 54.840 0.038 0.000 0.749 120 L CB -0.896 41.180 42.059 0.028 0.000 0.901 120 L HN 0.519 nan 8.230 nan 0.000 0.433 121 Y N -1.153 119.091 120.300 -0.094 0.000 2.128 121 Y HA -0.334 4.216 4.550 -0.000 0.000 0.284 121 Y C 2.187 177.941 175.900 -0.243 0.000 1.154 121 Y CA 2.208 60.187 58.100 -0.201 0.000 1.149 121 Y CB -0.403 37.850 38.460 -0.345 0.000 0.976 121 Y HN 0.263 nan 8.280 nan 0.000 0.505 122 Y N 0.113 120.489 120.300 0.127 0.000 2.395 122 Y HA -0.056 4.494 4.550 0.000 0.000 0.293 122 Y C 2.465 178.343 175.900 -0.036 0.000 1.123 122 Y CA 1.286 59.411 58.100 0.043 0.000 1.227 122 Y CB -0.395 38.096 38.460 0.052 0.000 1.012 122 Y HN 0.059 nan 8.280 nan 0.000 0.552 123 K N 0.138 120.585 120.400 0.079 0.000 2.103 123 K HA -0.139 4.181 4.320 0.000 0.000 0.207 123 K C 2.205 178.791 176.600 -0.023 0.000 1.048 123 K CA 1.446 57.745 56.287 0.019 0.000 0.930 123 K CB -0.571 31.933 32.500 0.007 0.000 0.716 123 K HN 0.377 nan 8.250 nan 0.000 0.444 124 G N 0.324 109.078 108.800 -0.075 0.000 2.679 124 G HA2 -0.135 3.825 3.960 0.000 0.000 0.212 124 G HA3 -0.135 3.825 3.960 0.000 0.000 0.212 124 G C 0.647 175.469 174.900 -0.130 0.000 1.137 124 G CA 0.265 45.297 45.100 -0.113 0.000 0.787 124 G HN 0.246 nan 8.290 nan 0.000 0.534 125 K N -0.162 120.170 120.400 -0.113 0.000 2.726 125 K HA 0.393 4.713 4.320 0.000 0.000 0.209 125 K C 1.202 177.815 176.600 0.023 0.000 1.082 125 K CA 0.244 56.496 56.287 -0.060 0.000 1.081 125 K CB 0.709 33.156 32.500 -0.089 0.000 0.830 125 K HN 0.151 nan 8.250 nan 0.000 0.470 126 G N 1.204 110.009 108.800 0.009 0.000 2.179 126 G HA2 -0.260 3.700 3.960 0.000 0.000 0.260 126 G HA3 -0.260 3.700 3.960 0.000 0.000 0.260 126 G C 0.047 174.960 174.900 0.021 0.000 0.977 126 G CA -0.115 44.993 45.100 0.014 0.000 0.641 126 G HN 0.156 nan 8.290 nan 0.000 0.533 127 R N -0.118 120.407 120.500 0.042 0.000 2.577 127 R HA 0.646 4.986 4.340 0.000 0.000 0.269 127 R C 0.503 176.799 176.300 -0.006 0.000 1.084 127 R CA -0.718 55.390 56.100 0.013 0.000 1.163 127 R CB 0.247 30.555 30.300 0.014 0.000 1.100 127 R HN 0.351 nan 8.270 nan 0.000 0.547 128 R N 1.434 121.914 120.500 -0.034 0.000 2.396 128 R HA 0.325 4.665 4.340 0.000 0.000 0.292 128 R C -2.269 173.996 176.300 -0.058 0.000 1.240 128 R CA -1.644 54.435 56.100 -0.036 0.000 1.270 128 R CB 1.321 31.602 30.300 -0.032 0.000 1.108 128 R HN 0.350 nan 8.270 nan 0.000 0.573 129 P HA 0.131 nan 4.420 nan 0.000 0.276 129 P C -1.180 176.082 177.300 -0.063 0.000 1.244 129 P CA -0.640 62.411 63.100 -0.082 0.000 0.801 129 P CB 0.783 32.446 31.700 -0.061 0.000 1.006 130 L N 2.070 123.249 121.223 -0.074 0.000 2.406 130 L HA 0.441 4.781 4.340 0.000 0.000 0.272 130 L C -1.443 175.399 176.870 -0.047 0.000 0.980 130 L CA -0.505 54.304 54.840 -0.051 0.000 0.831 130 L CB 1.009 43.039 42.059 -0.048 0.000 1.253 130 L HN 0.172 nan 8.230 nan 0.000 0.406 131 L N 5.346 126.550 121.223 -0.032 0.000 2.350 131 L HA 0.620 4.960 4.340 0.000 0.000 0.275 131 L C -0.660 176.196 176.870 -0.023 0.000 1.099 131 L CA -0.698 54.127 54.840 -0.024 0.000 0.808 131 L CB 1.671 43.720 42.059 -0.017 0.000 1.149 131 L HN 0.384 nan 8.230 nan 0.000 0.442 132 V N 2.683 122.582 119.914 -0.024 0.000 2.409 132 V HA 0.421 4.541 4.120 0.000 0.000 0.290 132 V C 0.179 176.250 176.094 -0.040 0.000 1.017 132 V CA -0.669 61.613 62.300 -0.031 0.000 0.841 132 V CB 1.570 33.373 31.823 -0.033 0.000 1.003 132 V HN 0.821 nan 8.190 nan 0.000 0.426 133 A N 3.803 126.602 122.820 -0.035 0.000 2.798 133 A HA 0.680 5.000 4.320 0.000 0.000 0.316 133 A C 1.079 178.637 177.584 -0.044 0.000 1.506 133 A CA 0.294 52.310 52.037 -0.035 0.000 1.162 133 A CB 0.316 19.302 19.000 -0.024 0.000 1.138 133 A HN 1.222 nan 8.150 nan 0.000 0.532 134 A N 1.829 124.611 122.820 -0.064 0.000 2.308 134 A HA 0.226 4.546 4.320 0.000 0.000 0.217 134 A C 0.608 178.156 177.584 -0.061 0.000 1.216 134 A CA 0.101 52.093 52.037 -0.075 0.000 0.864 134 A CB -0.042 18.880 19.000 -0.131 0.000 0.902 134 A HN 0.615 nan 8.150 nan 0.000 0.499 135 D N 1.188 121.561 120.400 -0.045 0.000 2.393 135 D HA 0.176 4.816 4.640 0.000 0.000 0.232 135 D C 1.076 177.363 176.300 -0.021 0.000 1.192 135 D CA 0.742 54.725 54.000 -0.029 0.000 0.882 135 D CB 0.849 41.636 40.800 -0.021 0.000 1.038 135 D HN 0.209 nan 8.370 nan 0.000 0.499 136 T N 0.177 114.720 114.554 -0.019 0.000 3.092 136 T HA -0.003 4.347 4.350 0.000 0.000 0.258 136 T C 1.247 175.942 174.700 -0.009 0.000 1.031 136 T CA 0.082 62.173 62.100 -0.014 0.000 0.925 136 T CB 0.027 68.886 68.868 -0.014 0.000 1.036 136 T HN 0.487 nan 8.240 nan 0.000 0.544 137 Q N 0.912 120.708 119.800 -0.007 0.000 2.390 137 Q HA 0.262 4.602 4.340 0.000 0.000 0.216 137 Q C 1.409 177.408 176.000 -0.002 0.000 0.916 137 Q CA -0.502 55.299 55.803 -0.003 0.000 0.911 137 Q CB 0.013 28.751 28.738 -0.001 0.000 1.035 137 Q HN 0.365 nan 8.270 nan 0.000 0.541 138 R N 2.512 123.011 120.500 -0.002 0.000 2.347 138 R HA 0.245 4.585 4.340 0.000 0.000 0.304 138 R C -2.281 174.018 176.300 -0.002 0.000 1.072 138 R CA -1.862 54.237 56.100 -0.001 0.000 0.980 138 R CB 0.353 30.653 30.300 -0.000 0.000 0.986 138 R HN 0.045 nan 8.270 nan 0.000 0.448 139 P HA 0.008 nan 4.420 nan 0.000 0.264 139 P C -0.443 176.856 177.300 -0.002 0.000 1.193 139 P CA 0.700 63.799 63.100 -0.002 0.000 0.763 139 P CB 1.044 32.743 31.700 -0.001 0.000 0.810 140 A N 2.670 125.489 122.820 -0.003 0.000 2.887 140 A HA -0.204 4.116 4.320 0.000 0.000 0.257 140 A C 1.732 179.313 177.584 -0.005 0.000 1.372 140 A CA 1.188 53.223 52.037 -0.004 0.000 0.879 140 A CB -2.303 16.696 19.000 -0.003 0.000 1.082 140 A HN 0.602 nan 8.150 nan 0.000 0.703 141 A N -0.491 122.326 122.820 -0.006 0.000 1.898 141 A HA -0.043 4.277 4.320 0.000 0.000 0.216 141 A C 2.013 179.591 177.584 -0.009 0.000 1.181 141 A CA 1.712 53.745 52.037 -0.007 0.000 0.620 141 A CB -0.358 18.637 19.000 -0.008 0.000 0.819 141 A HN 0.737 nan 8.150 nan 0.000 0.442 142 R N -0.656 119.838 120.500 -0.010 0.000 2.090 142 R HA -0.090 4.250 4.340 0.000 0.000 0.228 142 R C 2.272 178.567 176.300 -0.009 0.000 1.110 142 R CA 1.304 57.398 56.100 -0.011 0.000 0.973 142 R CB -0.265 30.028 30.300 -0.012 0.000 0.869 142 R HN 0.778 nan 8.270 nan 0.000 0.440 143 E N 1.190 121.385 120.200 -0.007 0.000 2.077 143 E HA -0.283 4.067 4.350 0.000 0.000 0.193 143 E C 2.079 178.676 176.600 -0.005 0.000 0.989 143 E CA 1.248 57.644 56.400 -0.006 0.000 0.800 143 E CB 0.084 29.782 29.700 -0.005 0.000 0.746 143 E HN 0.306 nan 8.360 nan 0.000 0.452 144 Q N 0.145 119.941 119.800 -0.005 0.000 2.061 144 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 144 Q C 2.307 178.304 176.000 -0.005 0.000 0.984 144 Q CA 1.638 57.438 55.803 -0.004 0.000 0.846 144 Q CB -0.109 28.627 28.738 -0.004 0.000 0.902 144 Q HN 0.350 nan 8.270 nan 0.000 0.421 145 L N 0.757 121.976 121.223 -0.007 0.000 2.109 145 L HA -0.074 4.266 4.340 0.000 0.000 0.207 145 L C 2.481 179.347 176.870 -0.007 0.000 1.086 145 L CA 1.644 56.479 54.840 -0.008 0.000 0.760 145 L CB -0.560 41.493 42.059 -0.011 0.000 0.910 145 L HN 0.161 nan 8.230 nan 0.000 0.437 146 R N -0.661 119.834 120.500 -0.008 0.000 2.096 146 R HA -0.190 4.150 4.340 0.000 0.000 0.240 146 R C 2.247 178.544 176.300 -0.006 0.000 1.139 146 R CA 2.107 58.202 56.100 -0.007 0.000 0.952 146 R CB -0.415 29.881 30.300 -0.007 0.000 0.854 146 R HN 0.424 nan 8.270 nan 0.000 0.436 147 L N 0.416 121.637 121.223 -0.005 0.000 2.093 147 L HA -0.168 4.172 4.340 0.000 0.000 0.208 147 L C 2.409 179.277 176.870 -0.003 0.000 1.085 147 L CA 0.991 55.829 54.840 -0.003 0.000 0.755 147 L CB -0.300 41.758 42.059 -0.003 0.000 0.904 147 L HN 0.282 nan 8.230 nan 0.000 0.435 148 L N -0.662 120.560 121.223 -0.003 0.000 2.093 148 L HA -0.119 4.221 4.340 0.000 0.000 0.208 148 L C 2.670 179.539 176.870 -0.002 0.000 1.085 148 L CA 1.300 56.139 54.840 -0.002 0.000 0.755 148 L CB -1.107 40.951 42.059 -0.002 0.000 0.904 148 L HN 0.307 nan 8.230 nan 0.000 0.435 149 G N -0.484 108.313 108.800 -0.004 0.000 2.418 149 G HA2 -0.304 3.656 3.960 0.000 0.000 0.217 149 G HA3 -0.304 3.656 3.960 0.000 0.000 0.217 149 G C 1.457 176.355 174.900 -0.005 0.000 1.158 149 G CA 0.814 45.911 45.100 -0.005 0.000 0.771 149 G HN 0.445 nan 8.290 nan 0.000 0.545 150 E N 0.299 120.497 120.200 -0.004 0.000 2.058 150 E HA -0.196 4.154 4.350 0.000 0.000 0.194 150 E C 2.346 178.945 176.600 -0.003 0.000 0.997 150 E CA 1.361 57.758 56.400 -0.004 0.000 0.801 150 E CB -0.172 29.526 29.700 -0.004 0.000 0.746 150 E HN 0.443 nan 8.360 nan 0.000 0.450 151 K N 0.148 120.547 120.400 -0.002 0.000 2.057 151 K HA -0.133 4.187 4.320 0.000 0.000 0.207 151 K C 2.019 178.619 176.600 -0.000 0.000 1.049 151 K CA 1.595 57.882 56.287 -0.001 0.000 0.931 151 K CB 0.048 32.548 32.500 0.000 0.000 0.714 151 K HN 0.234 nan 8.250 nan 0.000 0.440 152 V N -3.304 116.610 119.914 -0.000 0.000 3.649 152 V HA 0.333 4.453 4.120 0.000 0.000 0.275 152 V C 0.766 176.859 176.094 -0.002 0.000 1.281 152 V CA 0.356 62.656 62.300 0.001 0.000 1.143 152 V CB -0.187 31.638 31.823 0.004 0.000 0.892 152 V HN 0.362 nan 8.190 nan 0.000 0.441 153 G N 0.141 108.939 108.800 -0.003 0.000 2.256 153 G HA2 -0.160 3.800 3.960 0.000 0.000 0.272 153 G HA3 -0.160 3.800 3.960 0.000 0.000 0.272 153 G C -0.220 174.676 174.900 -0.007 0.000 1.076 153 G CA 0.250 45.347 45.100 -0.005 0.000 0.882 153 G HN 0.988 nan 8.290 nan 0.000 0.497 154 V N 1.517 121.426 119.914 -0.007 0.000 2.638 154 V HA 0.608 4.728 4.120 0.000 0.000 0.306 154 V C -1.693 174.393 176.094 -0.012 0.000 1.052 154 V CA -1.536 60.758 62.300 -0.011 0.000 0.885 154 V CB 2.525 34.342 31.823 -0.010 0.000 0.999 154 V HN 0.238 nan 8.190 nan 0.000 0.424 155 P HA 0.236 nan 4.420 nan 0.000 0.272 155 P C -1.068 176.222 177.300 -0.016 0.000 1.223 155 P CA -0.016 63.075 63.100 -0.015 0.000 0.784 155 P CB 1.145 32.835 31.700 -0.016 0.000 0.923 156 V N 3.314 123.219 119.914 -0.014 0.000 2.447 156 V HA 0.261 4.381 4.120 0.000 0.000 0.292 156 V C 0.191 176.276 176.094 -0.015 0.000 1.021 156 V CA -0.719 61.572 62.300 -0.015 0.000 0.850 156 V CB 1.516 33.331 31.823 -0.013 0.000 1.005 156 V HN 0.459 nan 8.190 nan 0.000 0.426 157 L N 4.756 125.969 121.223 -0.017 0.000 2.290 157 L HA 0.545 4.885 4.340 0.000 0.000 0.284 157 L C 0.154 177.013 176.870 -0.018 0.000 1.078 157 L CA 0.093 54.923 54.840 -0.016 0.000 0.815 157 L CB 0.827 42.877 42.059 -0.015 0.000 1.162 157 L HN 0.674 nan 8.230 nan 0.000 0.435 158 E N 4.368 124.559 120.200 -0.016 0.000 2.156 158 E HA 0.296 4.646 4.350 0.000 0.000 0.279 158 E C -0.771 175.819 176.600 -0.017 0.000 0.965 158 E CA -0.873 55.517 56.400 -0.017 0.000 0.789 158 E CB 2.190 31.882 29.700 -0.014 0.000 1.098 158 E HN 0.397 nan 8.360 nan 0.000 0.397 159 V N 4.368 124.269 119.914 -0.021 0.000 2.715 159 V HA 0.074 4.194 4.120 0.000 0.000 0.299 159 V C 0.450 176.535 176.094 -0.016 0.000 1.054 159 V CA 0.111 62.399 62.300 -0.021 0.000 1.077 159 V CB 0.578 32.384 31.823 -0.029 0.000 0.972 159 V HN 0.665 nan 8.190 nan 0.000 0.484 160 M N 2.752 122.344 119.600 -0.012 0.000 2.288 160 M HA 0.332 4.812 4.480 0.000 0.000 0.334 160 M C -0.101 176.194 176.300 -0.010 0.000 1.150 160 M CA -0.688 54.606 55.300 -0.010 0.000 1.118 160 M CB 0.457 33.053 32.600 -0.007 0.000 1.501 160 M HN 0.505 nan 8.290 nan 0.000 0.462 161 D N 1.763 122.158 120.400 -0.008 0.000 2.533 161 D HA 0.106 4.746 4.640 0.000 0.000 0.236 161 D C 1.222 177.519 176.300 -0.006 0.000 1.137 161 D CA 1.492 55.488 54.000 -0.007 0.000 0.867 161 D CB 0.563 41.359 40.800 -0.006 0.000 1.170 161 D HN 0.936 nan 8.370 nan 0.000 0.474 162 G N 2.474 111.271 108.800 -0.006 0.000 2.184 162 G HA2 -0.346 3.614 3.960 0.000 0.000 0.264 162 G HA3 -0.346 3.614 3.960 0.000 0.000 0.264 162 G C 0.428 175.326 174.900 -0.003 0.000 0.975 162 G CA 0.493 45.590 45.100 -0.004 0.000 0.642 162 G HN 0.623 nan 8.290 nan 0.000 0.536 163 E N 1.472 121.669 120.200 -0.005 0.000 2.384 163 E HA 0.441 4.791 4.350 0.000 0.000 0.266 163 E C 1.201 177.800 176.600 -0.002 0.000 1.012 163 E CA 0.282 56.679 56.400 -0.004 0.000 0.901 163 E CB 0.319 30.015 29.700 -0.006 0.000 0.967 163 E HN 0.563 nan 8.360 nan 0.000 0.435 164 S N 3.748 119.449 115.700 0.002 0.000 2.603 164 S HA 0.173 4.643 4.470 0.000 0.000 0.268 164 S C -1.841 172.764 174.600 0.010 0.000 1.317 164 S CA -1.217 56.987 58.200 0.006 0.000 1.012 164 S CB 1.191 64.395 63.200 0.008 0.000 0.926 164 S HN 0.416 nan 8.310 nan 0.000 0.539 165 P HA -0.064 nan 4.420 nan 0.000 0.216 165 P C 0.916 178.234 177.300 0.029 0.000 1.150 165 P CA 1.186 64.302 63.100 0.027 0.000 0.837 165 P CB -0.024 31.701 31.700 0.042 0.000 0.786 166 E N -0.644 119.571 120.200 0.024 0.000 2.150 166 E HA -0.114 4.236 4.350 0.000 0.000 0.193 166 E C 2.217 178.828 176.600 0.017 0.000 0.985 166 E CA 1.275 57.688 56.400 0.022 0.000 0.814 166 E CB -0.904 28.806 29.700 0.017 0.000 0.752 166 E HN 0.159 nan 8.360 nan 0.000 0.466 167 S N -0.250 115.457 115.700 0.012 0.000 2.387 167 S HA -0.057 4.413 4.470 0.000 0.000 0.226 167 S C 1.898 176.503 174.600 0.008 0.000 1.026 167 S CA 0.576 58.781 58.200 0.008 0.000 0.972 167 S CB -0.183 63.020 63.200 0.005 0.000 0.814 167 S HN 0.189 nan 8.310 nan 0.000 0.477 168 I N 1.337 121.912 120.570 0.009 0.000 2.163 168 I HA -0.195 3.975 4.170 0.000 0.000 0.243 168 I C 2.840 178.967 176.117 0.016 0.000 1.085 168 I CA 1.625 62.930 61.300 0.007 0.000 1.347 168 I CB -0.385 37.617 38.000 0.003 0.000 1.044 168 I HN 0.330 nan 8.210 nan 0.000 0.408 169 R N 1.050 121.566 120.500 0.026 0.000 2.073 169 R HA -0.211 4.129 4.340 0.000 0.000 0.234 169 R C 2.525 178.837 176.300 0.020 0.000 1.134 169 R CA 1.621 57.741 56.100 0.032 0.000 0.952 169 R CB -0.241 30.081 30.300 0.038 0.000 0.850 169 R HN 0.175 nan 8.270 nan 0.000 0.433 170 R N 0.165 120.674 120.500 0.015 0.000 2.094 170 R HA -0.161 4.179 4.340 0.000 0.000 0.239 170 R C 2.404 178.708 176.300 0.006 0.000 1.137 170 R CA 2.189 58.295 56.100 0.010 0.000 0.943 170 R CB -0.112 30.192 30.300 0.008 0.000 0.850 170 R HN 0.268 nan 8.270 nan 0.000 0.433 171 R N -0.497 120.006 120.500 0.005 0.000 2.092 171 R HA -0.058 4.282 4.340 0.000 0.000 0.231 171 R C 2.297 178.597 176.300 0.000 0.000 1.119 171 R CA 1.274 57.374 56.100 0.001 0.000 0.970 171 R CB -0.227 30.072 30.300 -0.001 0.000 0.864 171 R HN 0.150 nan 8.270 nan 0.000 0.440 172 V N 1.484 121.400 119.914 0.004 0.000 2.307 172 V HA -0.216 3.904 4.120 0.000 0.000 0.245 172 V C 2.023 178.118 176.094 0.001 0.000 1.045 172 V CA 1.764 64.066 62.300 0.003 0.000 1.024 172 V CB -0.374 31.456 31.823 0.013 0.000 0.651 172 V HN 0.336 nan 8.190 nan 0.000 0.449 173 E N -0.310 119.893 120.200 0.005 0.000 2.110 173 E HA -0.280 4.070 4.350 0.000 0.000 0.193 173 E C 2.216 178.815 176.600 -0.002 0.000 0.988 173 E CA 1.458 57.859 56.400 0.003 0.000 0.804 173 E CB -0.064 29.640 29.700 0.007 0.000 0.745 173 E HN 0.572 nan 8.360 nan 0.000 0.458 174 E N 1.429 121.628 120.200 -0.001 0.000 2.072 174 E HA -0.162 4.188 4.350 0.000 0.000 0.190 174 E C 1.859 178.455 176.600 -0.006 0.000 0.982 174 E CA 1.269 57.667 56.400 -0.003 0.000 0.803 174 E CB 0.020 29.719 29.700 -0.002 0.000 0.755 174 E HN 0.020 nan 8.360 nan 0.000 0.453 175 K N -0.447 119.948 120.400 -0.007 0.000 2.057 175 K HA -0.080 4.240 4.320 0.000 0.000 0.207 175 K C 2.005 178.597 176.600 -0.014 0.000 1.049 175 K CA 1.164 57.444 56.287 -0.010 0.000 0.931 175 K CB -0.237 32.257 32.500 -0.011 0.000 0.714 175 K HN 0.185 nan 8.250 nan 0.000 0.440 176 A N 1.310 124.121 122.820 -0.015 0.000 1.930 176 A HA -0.167 4.153 4.320 0.000 0.000 0.217 176 A C 2.111 179.684 177.584 -0.018 0.000 1.175 176 A CA 1.436 53.460 52.037 -0.021 0.000 0.627 176 A CB -0.476 18.510 19.000 -0.024 0.000 0.815 176 A HN 0.347 nan 8.150 nan 0.000 0.443 177 R N -0.356 120.136 120.500 -0.013 0.000 2.066 177 R HA -0.008 4.332 4.340 0.000 0.000 0.232 177 R C 2.003 178.297 176.300 -0.011 0.000 1.131 177 R CA 1.389 57.482 56.100 -0.011 0.000 0.955 177 R CB -0.387 29.909 30.300 -0.007 0.000 0.851 177 R HN 0.503 nan 8.270 nan 0.000 0.432 178 L N 0.371 121.589 121.223 -0.010 0.000 2.046 178 L HA -0.163 4.177 4.340 0.000 0.000 0.208 178 L C 1.557 178.420 176.870 -0.011 0.000 1.077 178 L CA 1.621 56.456 54.840 -0.009 0.000 0.747 178 L CB -0.230 41.824 42.059 -0.008 0.000 0.896 178 L HN 0.308 nan 8.230 nan 0.000 0.432 179 E N -0.575 119.617 120.200 -0.013 0.000 2.476 179 E HA 0.237 4.587 4.350 0.000 0.000 0.196 179 E C 0.696 177.286 176.600 -0.017 0.000 1.029 179 E CA 0.395 56.786 56.400 -0.014 0.000 0.896 179 E CB 0.472 30.163 29.700 -0.016 0.000 1.012 179 E HN 0.367 nan 8.360 nan 0.000 0.475 180 A N 2.299 125.108 122.820 -0.018 0.000 2.687 180 A HA -0.219 4.101 4.320 0.000 0.000 0.299 180 A C -0.225 177.342 177.584 -0.029 0.000 1.497 180 A CA 0.558 52.582 52.037 -0.021 0.000 0.751 180 A CB -1.168 17.822 19.000 -0.017 0.000 1.048 180 A HN 0.113 nan 8.150 nan 0.000 0.464 181 R N 0.173 120.653 120.500 -0.034 0.000 2.265 181 R HA 0.399 4.739 4.340 0.000 0.000 0.314 181 R C 0.436 176.698 176.300 -0.063 0.000 1.053 181 R CA -0.001 56.070 56.100 -0.048 0.000 0.931 181 R CB 0.687 30.958 30.300 -0.048 0.000 1.024 181 R HN 0.689 nan 8.270 nan 0.000 0.457 182 D N 0.696 121.046 120.400 -0.083 0.000 2.469 182 D HA 0.076 4.716 4.640 0.000 0.000 0.213 182 D C -0.111 176.082 176.300 -0.178 0.000 1.135 182 D CA -0.252 53.686 54.000 -0.102 0.000 0.834 182 D CB 0.237 40.990 40.800 -0.077 0.000 1.009 182 D HN 0.169 nan 8.370 nan 0.000 0.507 183 L N 0.997 122.088 121.223 -0.219 0.000 2.457 183 L HA 0.500 4.840 4.340 0.000 0.000 0.266 183 L C -1.769 174.917 176.870 -0.307 0.000 0.979 183 L CA -0.813 53.796 54.840 -0.384 0.000 0.857 183 L CB 1.414 43.178 42.059 -0.492 0.000 1.213 183 L HN -0.015 nan 8.230 nan 0.000 0.418 184 I N 6.037 126.436 120.570 -0.285 0.000 2.339 184 I HA 0.383 4.553 4.170 0.000 0.000 0.290 184 I C -0.770 175.276 176.117 -0.118 0.000 0.994 184 I CA -0.461 60.751 61.300 -0.146 0.000 1.191 184 I CB 1.416 39.376 38.000 -0.067 0.000 1.343 184 I HN 0.457 nan 8.210 nan 0.000 0.458 185 L N 7.387 128.572 121.223 -0.063 0.000 2.316 185 L HA 0.468 4.808 4.340 0.000 0.000 0.280 185 L C -0.637 176.257 176.870 0.040 0.000 1.006 185 L CA -0.746 54.103 54.840 0.016 0.000 0.836 185 L CB 1.621 43.676 42.059 -0.005 0.000 1.221 185 L HN 0.285 nan 8.230 nan 0.000 0.418 186 V N 1.625 121.591 119.914 0.086 0.000 2.318 186 V HA 0.175 4.295 4.120 0.000 0.000 0.271 186 V C -0.223 175.833 176.094 -0.063 0.000 1.030 186 V CA -0.490 61.791 62.300 -0.031 0.000 0.844 186 V CB 1.436 33.166 31.823 -0.154 0.000 1.015 186 V HN 0.598 nan 8.190 nan 0.000 0.460 187 D N 4.331 124.695 120.400 -0.060 0.000 2.316 187 D HA 0.390 5.030 4.640 0.000 0.000 0.245 187 D C 0.381 176.630 176.300 -0.085 0.000 1.171 187 D CA 0.036 54.009 54.000 -0.046 0.000 0.856 187 D CB 1.284 42.069 40.800 -0.025 0.000 1.090 187 D HN 0.690 nan 8.370 nan 0.000 0.476 188 T N 0.646 115.153 114.554 -0.078 0.000 2.945 188 T HA 0.759 5.109 4.350 0.000 0.000 0.286 188 T C 0.289 174.974 174.700 -0.026 0.000 1.025 188 T CA -0.963 61.089 62.100 -0.080 0.000 1.039 188 T CB 1.468 70.280 68.868 -0.093 0.000 1.068 188 T HN 0.406 nan 8.240 nan 0.000 0.497 189 A N 1.062 123.874 122.820 -0.014 0.000 2.425 189 A HA 0.594 4.914 4.320 0.000 0.000 0.242 189 A C 1.047 178.652 177.584 0.034 0.000 1.077 189 A CA -0.142 51.899 52.037 0.006 0.000 0.781 189 A CB -0.709 18.294 19.000 0.006 0.000 1.020 189 A HN 1.343 nan 8.150 nan 0.000 0.494 190 G N 0.689 109.509 108.800 0.033 0.000 2.441 190 G HA2 0.477 4.437 3.960 0.000 0.000 0.243 190 G HA3 0.477 4.437 3.960 0.000 0.000 0.243 190 G C 0.158 175.106 174.900 0.082 0.000 1.281 190 G CA -0.203 44.929 45.100 0.054 0.000 0.854 190 G HN 1.117 nan 8.290 nan 0.000 0.560 191 R N 1.682 122.269 120.500 0.144 0.000 2.707 191 R HA 0.436 4.776 4.340 0.000 0.000 0.272 191 R C -1.152 175.253 176.300 0.175 0.000 1.011 191 R CA -1.068 55.112 56.100 0.134 0.000 0.893 191 R CB 1.075 31.445 30.300 0.116 0.000 1.233 191 R HN 0.358 nan 8.270 nan 0.000 0.464 192 L N 2.854 124.130 121.223 0.090 0.000 2.439 192 L HA 0.061 4.401 4.340 0.000 0.000 0.269 192 L C 1.921 178.789 176.870 -0.004 0.000 1.179 192 L CA -0.479 54.406 54.840 0.074 0.000 0.828 192 L CB 1.111 43.189 42.059 0.033 0.000 1.106 192 L HN 0.810 nan 8.230 nan 0.000 0.467 193 Q N 4.221 124.018 119.800 -0.005 0.000 2.364 193 Q HA -0.151 4.189 4.340 0.000 0.000 0.207 193 Q C 1.178 177.078 176.000 -0.167 0.000 0.970 193 Q CA 1.658 57.332 55.803 -0.215 0.000 0.888 193 Q CB -0.222 28.472 28.738 -0.073 0.000 0.951 193 Q HN 0.878 nan 8.270 nan 0.000 0.469 194 I N -2.122 118.401 120.570 -0.078 0.000 3.928 194 I HA 0.296 4.466 4.170 0.000 0.000 0.335 194 I C 0.180 176.266 176.117 -0.052 0.000 1.325 194 I CA -0.399 60.865 61.300 -0.059 0.000 1.107 194 I CB 0.194 38.177 38.000 -0.028 0.000 1.014 194 I HN -0.219 nan 8.210 nan 0.000 0.400 195 D N 2.800 123.165 120.400 -0.059 0.000 2.453 195 D HA 0.019 4.659 4.640 0.000 0.000 0.223 195 D C 1.059 177.326 176.300 -0.056 0.000 1.183 195 D CA 0.167 54.142 54.000 -0.043 0.000 0.933 195 D CB 0.796 41.581 40.800 -0.026 0.000 1.038 195 D HN 0.195 nan 8.370 nan 0.000 0.513 196 E N 3.006 123.178 120.200 -0.047 0.000 2.077 196 E HA -0.108 4.242 4.350 0.000 0.000 0.193 196 E C -0.810 175.767 176.600 -0.038 0.000 0.989 196 E CA 0.987 57.358 56.400 -0.048 0.000 0.800 196 E CB -1.142 28.537 29.700 -0.036 0.000 0.746 196 E HN 0.525 nan 8.360 nan 0.000 0.452 197 P HA -0.104 nan 4.420 nan 0.000 0.215 197 P C 1.696 178.986 177.300 -0.017 0.000 1.153 197 P CA 1.001 64.091 63.100 -0.017 0.000 0.853 197 P CB -0.076 31.617 31.700 -0.012 0.000 0.788 198 L N -2.171 119.040 121.223 -0.020 0.000 2.156 198 L HA -0.071 4.269 4.340 0.000 0.000 0.208 198 L C 2.352 179.208 176.870 -0.023 0.000 1.095 198 L CA 1.000 55.832 54.840 -0.013 0.000 0.770 198 L CB -0.654 41.403 42.059 -0.003 0.000 0.914 198 L HN 0.004 nan 8.230 nan 0.000 0.439 199 M N -0.404 119.159 119.600 -0.062 0.000 2.175 199 M HA -0.052 4.428 4.480 0.000 0.000 0.264 199 M C 2.361 178.634 176.300 -0.046 0.000 1.063 199 M CA 1.571 56.810 55.300 -0.100 0.000 1.119 199 M CB -1.610 30.884 32.600 -0.177 0.000 1.377 199 M HN 0.236 nan 8.290 nan 0.000 0.415 200 G N -0.288 108.493 108.800 -0.031 0.000 2.418 200 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 200 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 200 G C 1.569 176.475 174.900 0.010 0.000 1.158 200 G CA 0.646 45.739 45.100 -0.010 0.000 0.771 200 G HN 0.481 nan 8.290 nan 0.000 0.545 201 E N -0.537 119.669 120.200 0.010 0.000 2.058 201 E HA -0.140 4.210 4.350 0.000 0.000 0.194 201 E C 2.403 179.031 176.600 0.047 0.000 0.997 201 E CA 0.908 57.321 56.400 0.022 0.000 0.801 201 E CB -0.160 29.548 29.700 0.012 0.000 0.746 201 E HN 0.326 nan 8.360 nan 0.000 0.450 202 L N 0.623 121.881 121.223 0.057 0.000 2.046 202 L HA -0.099 4.241 4.340 0.000 0.000 0.208 202 L C 2.127 179.098 176.870 0.168 0.000 1.077 202 L CA 2.079 56.989 54.840 0.116 0.000 0.747 202 L CB -0.680 41.458 42.059 0.132 0.000 0.896 202 L HN 0.051 nan 8.230 nan 0.000 0.432 203 A N -0.514 122.366 122.820 0.101 0.000 1.933 203 A HA -0.238 4.082 4.320 0.000 0.000 0.218 203 A C 2.458 180.095 177.584 0.089 0.000 1.175 203 A CA 1.706 53.795 52.037 0.086 0.000 0.628 203 A CB -0.568 18.454 19.000 0.036 0.000 0.814 203 A HN 0.462 nan 8.150 nan 0.000 0.444 204 R N -0.707 119.839 120.500 0.076 0.000 2.075 204 R HA -0.050 4.290 4.340 0.000 0.000 0.232 204 R C 1.884 178.248 176.300 0.106 0.000 1.126 204 R CA 1.429 57.570 56.100 0.069 0.000 0.963 204 R CB -0.706 29.622 30.300 0.047 0.000 0.858 204 R HN 0.406 nan 8.270 nan 0.000 0.435 205 L N 1.146 122.457 121.223 0.146 0.000 2.046 205 L HA -0.144 4.196 4.340 0.000 0.000 0.208 205 L C 2.192 179.289 176.870 0.378 0.000 1.077 205 L CA 2.008 56.977 54.840 0.215 0.000 0.747 205 L CB -0.534 41.612 42.059 0.145 0.000 0.896 205 L HN 0.243 nan 8.230 nan 0.000 0.432 206 K N -0.557 120.067 120.400 0.373 0.000 2.057 206 K HA -0.259 4.061 4.320 0.000 0.000 0.207 206 K C 2.128 178.750 176.600 0.036 0.000 1.049 206 K CA 1.789 58.142 56.287 0.109 0.000 0.931 206 K CB -0.252 32.243 32.500 -0.008 0.000 0.714 206 K HN 0.479 nan 8.250 nan 0.000 0.440 207 E N 0.052 120.288 120.200 0.060 0.000 2.085 207 E HA -0.176 4.174 4.350 0.000 0.000 0.194 207 E C 1.810 178.436 176.600 0.043 0.000 0.994 207 E CA 1.550 57.971 56.400 0.035 0.000 0.801 207 E CB 0.158 29.880 29.700 0.036 0.000 0.743 207 E HN 0.203 nan 8.360 nan 0.000 0.453 208 V N 0.835 120.792 119.914 0.072 0.000 2.407 208 V HA -0.178 3.942 4.120 0.000 0.000 0.245 208 V C 2.297 178.438 176.094 0.077 0.000 1.041 208 V CA 1.161 63.501 62.300 0.067 0.000 1.040 208 V CB -0.247 31.619 31.823 0.071 0.000 0.671 208 V HN 0.324 nan 8.190 nan 0.000 0.455 209 L N 0.339 121.639 121.223 0.128 0.000 2.341 209 L HA 0.236 4.576 4.340 0.000 0.000 0.214 209 L C 1.626 178.536 176.870 0.068 0.000 1.115 209 L CA 0.899 55.825 54.840 0.144 0.000 0.820 209 L CB -0.714 41.534 42.059 0.315 0.000 0.944 209 L HN 0.585 nan 8.230 nan 0.000 0.452 210 G N 1.678 110.480 108.800 0.003 0.000 2.350 210 G HA2 -0.199 3.761 3.960 0.000 0.000 0.298 210 G HA3 -0.199 3.761 3.960 0.000 0.000 0.298 210 G C -1.997 172.855 174.900 -0.081 0.000 1.037 210 G CA -0.460 44.612 45.100 -0.046 0.000 1.074 210 G HN 0.218 nan 8.290 nan 0.000 0.511 211 P HA 0.160 nan 4.420 nan 0.000 0.268 211 P C 0.695 177.941 177.300 -0.089 0.000 1.205 211 P CA 0.296 63.281 63.100 -0.191 0.000 0.771 211 P CB 0.682 32.007 31.700 -0.624 0.000 0.858 212 D N 0.954 121.383 120.400 0.048 0.000 2.348 212 D HA -0.011 4.629 4.640 0.000 0.000 0.211 212 D C -0.132 176.156 176.300 -0.021 0.000 0.998 212 D CA 0.564 54.590 54.000 0.043 0.000 0.873 212 D CB 0.567 41.431 40.800 0.106 0.000 0.925 212 D HN 0.348 nan 8.370 nan 0.000 0.524 213 E N 0.553 120.724 120.200 -0.049 0.000 2.314 213 E HA 0.422 4.772 4.350 0.000 0.000 0.272 213 E C -1.111 175.420 176.600 -0.116 0.000 0.884 213 E CA -0.930 55.334 56.400 -0.227 0.000 0.753 213 E CB 3.334 32.572 29.700 -0.770 0.000 1.213 213 E HN -0.131 nan 8.360 nan 0.000 0.432 214 V N 3.482 123.345 119.914 -0.086 0.000 2.349 214 V HA 0.324 4.444 4.120 0.000 0.000 0.284 214 V C -0.266 175.839 176.094 0.019 0.000 1.014 214 V CA -0.582 61.718 62.300 -0.001 0.000 0.826 214 V CB 1.018 32.828 31.823 -0.021 0.000 1.009 214 V HN 0.460 nan 8.190 nan 0.000 0.431 215 L N 5.614 126.871 121.223 0.056 0.000 2.255 215 L HA 0.463 4.803 4.340 0.000 0.000 0.289 215 L C -0.287 176.574 176.870 -0.014 0.000 1.046 215 L CA -0.697 54.159 54.840 0.027 0.000 0.816 215 L CB 1.448 43.547 42.059 0.065 0.000 1.197 215 L HN 0.458 nan 8.230 nan 0.000 0.427 216 L N 5.669 126.843 121.223 -0.081 0.000 2.385 216 L HA 0.219 4.559 4.340 0.000 0.000 0.281 216 L C -0.170 176.609 176.870 -0.151 0.000 1.106 216 L CA 0.242 54.973 54.840 -0.182 0.000 0.856 216 L CB 1.015 42.946 42.059 -0.214 0.000 1.186 216 L HN 0.256 nan 8.230 nan 0.000 0.453 217 V N 7.106 126.930 119.914 -0.151 0.000 2.368 217 V HA 0.268 4.388 4.120 0.000 0.000 0.266 217 V C -0.060 175.960 176.094 -0.124 0.000 1.045 217 V CA -0.411 61.829 62.300 -0.101 0.000 0.899 217 V CB 0.961 32.745 31.823 -0.065 0.000 1.006 217 V HN 0.614 nan 8.190 nan 0.000 0.470 218 L N 4.845 126.005 121.223 -0.104 0.000 2.325 218 L HA 0.568 4.908 4.340 0.000 0.000 0.281 218 L C -0.120 176.713 176.870 -0.062 0.000 1.004 218 L CA -0.126 54.657 54.840 -0.096 0.000 0.823 218 L CB 1.578 43.572 42.059 -0.110 0.000 1.236 218 L HN 0.581 nan 8.230 nan 0.000 0.415 219 D N 3.609 123.981 120.400 -0.046 0.000 2.425 219 D HA 0.106 4.746 4.640 0.000 0.000 0.247 219 D C 0.995 177.282 176.300 -0.021 0.000 1.147 219 D CA 0.686 54.670 54.000 -0.025 0.000 0.879 219 D CB 1.962 42.751 40.800 -0.019 0.000 1.179 219 D HN 0.762 nan 8.370 nan 0.000 0.456 220 A N 4.528 127.343 122.820 -0.008 0.000 2.076 220 A HA -0.198 4.122 4.320 0.000 0.000 0.220 220 A C 2.077 179.661 177.584 -0.001 0.000 1.160 220 A CA 1.640 53.677 52.037 -0.000 0.000 0.653 220 A CB -0.654 18.358 19.000 0.020 0.000 0.801 220 A HN 0.811 nan 8.150 nan 0.000 0.455 221 M N -1.578 118.021 119.600 -0.002 0.000 2.618 221 M HA 0.105 4.585 4.480 0.000 0.000 0.240 221 M C -0.007 176.290 176.300 -0.005 0.000 1.123 221 M CA 0.525 55.824 55.300 -0.001 0.000 1.060 221 M CB -0.798 31.803 32.600 0.001 0.000 1.535 221 M HN 0.045 nan 8.290 nan 0.000 0.507 222 T N 2.298 116.846 114.554 -0.010 0.000 2.934 222 T HA 0.317 4.667 4.350 0.000 0.000 0.306 222 T C 0.906 175.599 174.700 -0.011 0.000 1.042 222 T CA 0.397 62.491 62.100 -0.011 0.000 1.145 222 T CB 0.960 69.817 68.868 -0.018 0.000 0.982 222 T HN 0.556 nan 8.240 nan 0.000 0.544 223 G N 1.310 110.106 108.800 -0.006 0.000 2.714 223 G HA2 0.122 4.082 3.960 0.000 0.000 0.197 223 G HA3 0.122 4.082 3.960 0.000 0.000 0.197 223 G C 0.961 175.856 174.900 -0.008 0.000 1.449 223 G CA -0.368 44.727 45.100 -0.007 0.000 1.065 223 G HN 0.582 nan 8.290 nan 0.000 0.575 224 Q N -0.303 119.494 119.800 -0.007 0.000 2.181 224 Q HA -0.098 4.242 4.340 0.000 0.000 0.205 224 Q C 2.130 178.129 176.000 -0.000 0.000 0.980 224 Q CA 0.933 56.732 55.803 -0.007 0.000 0.862 224 Q CB -0.135 28.600 28.738 -0.005 0.000 0.905 224 Q HN 0.474 nan 8.270 nan 0.000 0.429 225 E N 0.425 120.629 120.200 0.006 0.000 2.409 225 E HA -0.044 4.306 4.350 0.000 0.000 0.198 225 E C 1.742 178.354 176.600 0.020 0.000 1.024 225 E CA 0.611 57.020 56.400 0.015 0.000 0.861 225 E CB -0.179 29.533 29.700 0.020 0.000 0.788 225 E HN 0.317 nan 8.360 nan 0.000 0.521 226 A N 0.967 123.792 122.820 0.009 0.000 1.948 226 A HA -0.215 4.105 4.320 0.000 0.000 0.220 226 A C 2.199 179.794 177.584 0.017 0.000 1.177 226 A CA 1.422 53.463 52.037 0.006 0.000 0.636 226 A CB -0.544 18.448 19.000 -0.014 0.000 0.815 226 A HN 0.311 nan 8.150 nan 0.000 0.449 227 L N -0.169 121.064 121.223 0.017 0.000 1.976 227 L HA -0.128 4.212 4.340 0.000 0.000 0.209 227 L C 2.657 179.551 176.870 0.041 0.000 1.071 227 L CA 2.803 57.661 54.840 0.029 0.000 0.746 227 L CB -0.831 41.243 42.059 0.025 0.000 0.890 227 L HN 0.356 nan 8.230 nan 0.000 0.432 228 S N -1.521 114.202 115.700 0.038 0.000 2.382 228 S HA -0.135 4.335 4.470 0.000 0.000 0.228 228 S C 1.946 176.586 174.600 0.068 0.000 1.027 228 S CA 1.398 59.623 58.200 0.042 0.000 0.991 228 S CB -0.441 62.778 63.200 0.031 0.000 0.823 228 S HN 0.307 nan 8.310 nan 0.000 0.469 229 V N 1.936 121.904 119.914 0.090 0.000 2.307 229 V HA -0.078 4.042 4.120 0.000 0.000 0.245 229 V C 2.954 179.189 176.094 0.235 0.000 1.045 229 V CA 1.783 64.187 62.300 0.173 0.000 1.024 229 V CB -1.332 30.577 31.823 0.144 0.000 0.651 229 V HN 0.627 nan 8.190 nan 0.000 0.449 230 A N -0.135 122.760 122.820 0.126 0.000 1.898 230 A HA -0.225 4.095 4.320 0.000 0.000 0.216 230 A C 2.394 180.046 177.584 0.113 0.000 1.181 230 A CA 1.897 53.995 52.037 0.103 0.000 0.620 230 A CB -0.564 18.452 19.000 0.027 0.000 0.819 230 A HN 0.473 nan 8.150 nan 0.000 0.442 231 R N -0.297 120.251 120.500 0.079 0.000 2.083 231 R HA -0.147 4.193 4.340 0.000 0.000 0.237 231 R C 2.279 178.610 176.300 0.051 0.000 1.137 231 R CA 1.617 57.749 56.100 0.054 0.000 0.951 231 R CB -0.412 29.911 30.300 0.038 0.000 0.851 231 R HN 0.437 nan 8.270 nan 0.000 0.434 232 A N 0.055 122.906 122.820 0.051 0.000 1.898 232 A HA -0.125 4.195 4.320 0.000 0.000 0.216 232 A C 1.979 179.532 177.584 -0.052 0.000 1.181 232 A CA 1.124 53.149 52.037 -0.020 0.000 0.620 232 A CB -0.684 18.277 19.000 -0.065 0.000 0.819 232 A HN 0.392 nan 8.150 nan 0.000 0.442 233 F N 0.109 120.060 119.950 0.001 0.000 2.171 233 F HA -0.150 4.377 4.527 0.000 0.000 0.300 233 F C 2.162 177.962 175.800 0.000 0.000 1.090 233 F CA 1.806 59.810 58.000 0.006 0.000 1.293 233 F CB -0.209 38.795 39.000 0.007 0.000 1.013 233 F HN 0.289 nan 8.300 nan 0.000 0.486 234 D N -0.033 120.460 120.400 0.155 0.000 2.117 234 D HA -0.140 4.500 4.640 0.000 0.000 0.198 234 D C 1.990 178.310 176.300 0.033 0.000 0.982 234 D CA 1.373 55.418 54.000 0.074 0.000 0.828 234 D CB -0.059 40.766 40.800 0.041 0.000 0.967 234 D HN 0.310 nan 8.370 nan 0.000 0.464 235 E N -0.297 119.913 120.200 0.016 0.000 2.107 235 E HA -0.076 4.274 4.350 0.000 0.000 0.191 235 E C 1.996 178.587 176.600 -0.015 0.000 0.982 235 E CA 0.715 57.112 56.400 -0.004 0.000 0.809 235 E CB 0.149 29.842 29.700 -0.010 0.000 0.756 235 E HN 0.254 nan 8.360 nan 0.000 0.459 236 K N -0.082 120.298 120.400 -0.032 0.000 2.262 236 K HA 0.039 4.359 4.320 0.000 0.000 0.200 236 K C 1.634 178.220 176.600 -0.022 0.000 1.049 236 K CA 0.525 56.782 56.287 -0.050 0.000 0.979 236 K CB 0.802 33.235 32.500 -0.113 0.000 0.773 236 K HN -0.036 nan 8.250 nan 0.000 0.474 237 V N -0.915 119.005 119.914 0.010 0.000 3.102 237 V HA 0.251 4.371 4.120 0.000 0.000 0.225 237 V C 0.285 176.405 176.094 0.043 0.000 1.301 237 V CA 0.300 62.631 62.300 0.052 0.000 1.308 237 V CB 1.095 32.996 31.823 0.130 0.000 1.129 237 V HN 0.361 nan 8.190 nan 0.000 0.502 238 G N 0.983 109.814 108.800 0.053 0.000 3.373 238 G HA2 -0.004 3.956 3.960 0.000 0.000 0.685 238 G HA3 -0.004 3.956 3.960 0.000 0.000 0.685 238 G C -0.987 173.928 174.900 0.026 0.000 1.166 238 G CA -0.333 44.780 45.100 0.022 0.000 1.063 238 G HN 0.307 nan 8.290 nan 0.000 0.481 239 V N 2.628 122.556 119.914 0.023 0.000 2.481 239 V HA 0.706 4.826 4.120 0.000 0.000 0.286 239 V C 1.557 177.627 176.094 -0.040 0.000 1.042 239 V CA 0.552 62.854 62.300 0.004 0.000 0.928 239 V CB 1.651 33.480 31.823 0.010 0.000 0.986 239 V HN 1.302 nan 8.190 nan 0.000 0.462 240 T N 0.283 114.805 114.554 -0.052 0.000 2.990 240 T HA 0.491 4.841 4.350 0.000 0.000 0.250 240 T C 0.600 175.228 174.700 -0.119 0.000 1.041 240 T CA 0.461 62.522 62.100 -0.064 0.000 1.010 240 T CB 0.525 69.366 68.868 -0.045 0.000 1.003 240 T HN 1.107 nan 8.240 nan 0.000 0.499 241 G N 0.386 109.100 108.800 -0.142 0.000 2.451 241 G HA2 0.538 4.498 3.960 0.000 0.000 0.292 241 G HA3 0.538 4.498 3.960 0.000 0.000 0.292 241 G C -2.414 172.362 174.900 -0.207 0.000 1.427 241 G CA -1.050 43.846 45.100 -0.341 0.000 0.792 241 G HN 0.290 nan 8.290 nan 0.000 0.498 242 L N -0.699 120.358 121.223 -0.277 0.000 2.354 242 L HA 0.819 5.159 4.340 0.000 0.000 0.264 242 L C -0.321 176.488 176.870 -0.101 0.000 1.008 242 L CA -1.101 53.628 54.840 -0.184 0.000 0.819 242 L CB 2.440 44.346 42.059 -0.254 0.000 1.339 242 L HN 0.408 nan 8.230 nan 0.000 0.420 243 V N 2.392 122.273 119.914 -0.055 0.000 2.531 243 V HA 0.453 4.573 4.120 0.000 0.000 0.301 243 V C -0.920 175.139 176.094 -0.057 0.000 1.034 243 V CA -0.531 61.771 62.300 0.004 0.000 0.865 243 V CB 2.019 33.885 31.823 0.071 0.000 0.995 243 V HN 0.463 nan 8.190 nan 0.000 0.424 244 L N 5.931 127.118 121.223 -0.059 0.000 2.262 244 L HA 0.697 5.037 4.340 0.000 0.000 0.288 244 L C 0.516 177.393 176.870 0.012 0.000 1.035 244 L CA 0.468 55.276 54.840 -0.053 0.000 0.820 244 L CB 1.470 43.475 42.059 -0.090 0.000 1.204 244 L HN 0.916 nan 8.230 nan 0.000 0.424 245 T N 0.626 115.181 114.554 0.001 0.000 2.936 245 T HA 0.498 4.848 4.350 0.000 0.000 0.282 245 T C 0.199 174.911 174.700 0.019 0.000 1.003 245 T CA -0.659 61.449 62.100 0.014 0.000 1.005 245 T CB 1.124 69.992 68.868 0.000 0.000 1.097 245 T HN 0.594 nan 8.240 nan 0.000 0.532 246 K N -0.022 120.392 120.400 0.023 0.000 3.129 246 K HA -0.137 4.183 4.320 0.000 0.000 0.273 246 K C 0.745 177.364 176.600 0.032 0.000 1.123 246 K CA 0.434 56.734 56.287 0.023 0.000 0.800 246 K CB -2.084 30.424 32.500 0.014 0.000 1.238 246 K HN 0.582 nan 8.250 nan 0.000 0.492 247 L N 0.867 122.118 121.223 0.046 0.000 2.551 247 L HA -0.109 4.231 4.340 0.000 0.000 0.228 247 L C 1.919 178.819 176.870 0.049 0.000 1.153 247 L CA 0.954 55.828 54.840 0.057 0.000 0.851 247 L CB -0.258 41.852 42.059 0.086 0.000 0.959 247 L HN 0.336 nan 8.230 nan 0.000 0.451 248 D N -0.543 119.882 120.400 0.042 0.000 2.363 248 D HA -0.037 4.603 4.640 0.000 0.000 0.220 248 D C 1.160 177.476 176.300 0.027 0.000 0.994 248 D CA 0.381 54.401 54.000 0.035 0.000 0.890 248 D CB -0.221 40.598 40.800 0.032 0.000 0.906 248 D HN 0.173 nan 8.370 nan 0.000 0.530 249 G N 1.170 109.986 108.800 0.026 0.000 2.516 249 G HA2 0.217 4.177 3.960 0.000 0.000 0.276 249 G HA3 0.217 4.177 3.960 0.000 0.000 0.276 249 G C 0.267 175.180 174.900 0.022 0.000 1.390 249 G CA 0.125 45.238 45.100 0.021 0.000 1.050 249 G HN 0.182 nan 8.290 nan 0.000 0.519 250 D N -1.727 118.684 120.400 0.018 0.000 2.479 250 D HA 0.343 4.983 4.640 0.000 0.000 0.218 250 D C 1.040 177.350 176.300 0.016 0.000 1.177 250 D CA 0.002 54.013 54.000 0.017 0.000 0.830 250 D CB -0.161 40.648 40.800 0.014 0.000 1.014 250 D HN 0.477 nan 8.370 nan 0.000 0.503 251 A N 1.123 123.952 122.820 0.016 0.000 2.540 251 A HA 0.134 4.455 4.320 0.000 0.000 0.239 251 A C 1.457 179.051 177.584 0.017 0.000 1.061 251 A CA -0.281 51.764 52.037 0.013 0.000 0.758 251 A CB 0.539 19.546 19.000 0.011 0.000 0.991 251 A HN 0.012 nan 8.150 nan 0.000 0.502 252 R N 2.076 122.583 120.500 0.011 0.000 2.115 252 R HA -0.041 4.299 4.340 0.000 0.000 0.230 252 R C 1.524 177.835 176.300 0.019 0.000 1.111 252 R CA 1.194 57.302 56.100 0.013 0.000 0.976 252 R CB -0.724 29.578 30.300 0.003 0.000 0.870 252 R HN 1.788 nan 8.270 nan 0.000 0.445 253 G N -0.973 107.834 108.800 0.012 0.000 2.130 253 G HA2 -0.213 3.747 3.960 0.000 0.000 0.216 253 G HA3 -0.213 3.747 3.960 0.000 0.000 0.216 253 G C 0.951 175.849 174.900 -0.003 0.000 0.999 253 G CA 0.471 45.580 45.100 0.016 0.000 0.686 253 G HN 0.491 nan 8.290 nan 0.000 0.515 254 G N 0.576 109.363 108.800 -0.021 0.000 2.485 254 G HA2 0.140 4.100 3.960 0.000 0.000 0.221 254 G HA3 0.140 4.100 3.960 0.000 0.000 0.221 254 G C 1.981 176.850 174.900 -0.052 0.000 1.115 254 G CA 2.386 47.458 45.100 -0.048 0.000 0.751 254 G HN 1.687 nan 8.290 nan 0.000 0.567 255 A N 1.147 123.943 122.820 -0.040 0.000 1.986 255 A HA 0.144 4.464 4.320 0.000 0.000 0.220 255 A C 2.804 180.353 177.584 -0.059 0.000 1.171 255 A CA 2.261 54.272 52.037 -0.043 0.000 0.640 255 A CB -0.696 18.282 19.000 -0.037 0.000 0.811 255 A HN 0.851 nan 8.150 nan 0.000 0.451 256 A N -0.619 122.161 122.820 -0.067 0.000 1.940 256 A HA -0.059 4.261 4.320 0.000 0.000 0.219 256 A C 2.115 179.646 177.584 -0.088 0.000 1.176 256 A CA 1.775 53.746 52.037 -0.110 0.000 0.631 256 A CB -0.533 18.399 19.000 -0.114 0.000 0.814 256 A HN 0.694 nan 8.150 nan 0.000 0.446 257 L N -0.052 121.134 121.223 -0.063 0.000 2.056 257 L HA -0.071 4.269 4.340 0.000 0.000 0.207 257 L C 2.531 179.388 176.870 -0.021 0.000 1.078 257 L CA 2.483 57.291 54.840 -0.054 0.000 0.749 257 L CB -0.724 41.266 42.059 -0.114 0.000 0.901 257 L HN 0.301 nan 8.230 nan 0.000 0.433 258 S N 0.066 115.744 115.700 -0.038 0.000 2.359 258 S HA -0.221 4.249 4.470 0.000 0.000 0.224 258 S C 2.084 176.699 174.600 0.025 0.000 1.035 258 S CA 1.338 59.532 58.200 -0.010 0.000 1.018 258 S CB -0.749 62.437 63.200 -0.024 0.000 0.876 258 S HN 0.668 nan 8.310 nan 0.000 0.448 259 A N 1.354 124.164 122.820 -0.018 0.000 1.930 259 A HA -0.042 4.278 4.320 0.000 0.000 0.217 259 A C 2.098 179.660 177.584 -0.038 0.000 1.175 259 A CA 1.497 53.514 52.037 -0.033 0.000 0.627 259 A CB -0.452 18.501 19.000 -0.079 0.000 0.815 259 A HN 0.429 nan 8.150 nan 0.000 0.443 260 R N -1.611 118.862 120.500 -0.046 0.000 2.090 260 R HA -0.134 4.206 4.340 0.000 0.000 0.228 260 R C 2.107 178.404 176.300 -0.005 0.000 1.110 260 R CA 1.525 57.590 56.100 -0.058 0.000 0.973 260 R CB -0.427 29.828 30.300 -0.075 0.000 0.869 260 R HN 0.722 nan 8.270 nan 0.000 0.440 261 H N -0.459 118.586 119.070 -0.041 0.000 2.319 261 H HA -0.117 4.439 4.556 0.000 0.000 0.299 261 H C 1.751 177.069 175.328 -0.017 0.000 1.092 261 H CA 2.119 58.158 56.048 -0.015 0.000 1.302 261 H CB -0.098 29.663 29.762 -0.001 0.000 1.373 261 H HN 0.084 nan 8.280 nan 0.000 0.497 262 V N -0.058 119.885 119.914 0.048 0.000 2.951 262 V HA -0.076 4.044 4.120 0.000 0.000 0.255 262 V C 2.080 178.147 176.094 -0.045 0.000 1.088 262 V CA 1.944 64.243 62.300 -0.001 0.000 1.109 262 V CB -0.289 31.572 31.823 0.064 0.000 0.724 262 V HN 0.868 nan 8.190 nan 0.000 0.471 263 T N -3.955 110.569 114.554 -0.050 0.000 3.023 263 T HA 0.246 4.596 4.350 0.000 0.000 0.249 263 T C 1.667 176.317 174.700 -0.083 0.000 1.050 263 T CA 0.920 62.984 62.100 -0.060 0.000 1.088 263 T CB 0.412 69.243 68.868 -0.060 0.000 0.946 263 T HN 1.153 nan 8.240 nan 0.000 0.480 264 G N 2.028 110.769 108.800 -0.098 0.000 2.168 264 G HA2 -0.228 3.732 3.960 0.000 0.000 0.257 264 G HA3 -0.228 3.732 3.960 0.000 0.000 0.257 264 G C -0.033 174.799 174.900 -0.112 0.000 0.997 264 G CA 0.309 45.349 45.100 -0.101 0.000 0.708 264 G HN 0.613 nan 8.290 nan 0.000 0.520 265 K N 0.536 120.853 120.400 -0.139 0.000 2.118 265 K HA 0.536 4.856 4.320 0.000 0.000 0.254 265 K C -2.286 174.148 176.600 -0.278 0.000 0.961 265 K CA -2.232 53.938 56.287 -0.196 0.000 0.876 265 K CB 1.701 34.085 32.500 -0.193 0.000 1.077 265 K HN 0.096 nan 8.250 nan 0.000 0.440 266 P HA 0.242 nan 4.420 nan 0.000 0.275 266 P C -0.291 176.620 177.300 -0.648 0.000 1.228 266 P CA -0.235 62.566 63.100 -0.498 0.000 0.786 266 P CB 0.439 31.769 31.700 -0.617 0.000 0.927 267 I N 3.358 123.611 120.570 -0.529 0.000 2.291 267 I HA 0.091 4.261 4.170 0.000 0.000 0.292 267 I C 1.132 176.997 176.117 -0.419 0.000 1.064 267 I CA -0.295 60.635 61.300 -0.617 0.000 1.269 267 I CB 0.088 37.406 38.000 -1.137 0.000 1.418 267 I HN 0.300 nan 8.210 nan 0.000 0.485 268 Y N 5.374 125.516 120.300 -0.264 0.000 2.243 268 Y HA 0.116 4.666 4.550 -0.000 0.000 0.293 268 Y C 0.547 176.125 175.900 -0.535 0.000 1.124 268 Y CA 0.927 58.795 58.100 -0.386 0.000 1.159 268 Y CB -0.062 38.172 38.460 -0.376 0.000 1.008 268 Y HN 0.294 nan 8.280 nan 0.000 0.527 269 F N -1.668 118.322 119.950 0.067 0.000 2.613 269 F HA 0.688 5.215 4.527 0.000 0.000 0.314 269 F C -0.381 175.433 175.800 0.022 0.000 1.075 269 F CA -1.838 56.163 58.000 0.002 0.000 0.945 269 F CB 1.376 40.344 39.000 -0.052 0.000 1.310 269 F HN -0.289 nan 8.300 nan 0.000 0.467 270 A N 0.791 123.771 122.820 0.266 0.000 2.331 270 A HA 0.733 5.053 4.320 0.000 0.000 0.320 270 A C -0.299 177.361 177.584 0.125 0.000 1.138 270 A CA -0.551 51.602 52.037 0.194 0.000 0.790 270 A CB 0.810 19.935 19.000 0.208 0.000 1.206 270 A HN 0.949 nan 8.150 nan 0.000 0.470 271 G N 0.409 109.260 108.800 0.084 0.000 2.320 271 G HA2 0.501 4.461 3.960 0.000 0.000 0.300 271 G HA3 0.501 4.461 3.960 0.000 0.000 0.300 271 G C 0.363 175.297 174.900 0.056 0.000 1.126 271 G CA 0.304 45.434 45.100 0.050 0.000 0.896 271 G HN 1.696 nan 8.290 nan 0.000 0.436 272 V N -0.560 119.386 119.914 0.053 0.000 3.330 272 V HA 0.618 4.738 4.120 0.000 0.000 0.309 272 V C 0.325 176.444 176.094 0.042 0.000 1.481 272 V CA 0.332 62.665 62.300 0.055 0.000 1.068 272 V CB -0.128 31.737 31.823 0.071 0.000 0.935 272 V HN 0.802 nan 8.190 nan 0.000 0.453 273 S N 0.376 116.096 115.700 0.033 0.000 2.578 273 S HA 0.380 4.850 4.470 0.000 0.000 0.272 273 S C 0.445 175.056 174.600 0.019 0.000 1.145 273 S CA 0.367 58.582 58.200 0.026 0.000 0.835 273 S CB 1.974 65.190 63.200 0.027 0.000 1.104 273 S HN 0.534 nan 8.310 nan 0.000 0.458 274 E N 2.130 122.339 120.200 0.015 0.000 2.153 274 E HA 0.034 4.384 4.350 0.000 0.000 0.194 274 E C 0.176 176.782 176.600 0.010 0.000 0.988 274 E CA 1.097 57.504 56.400 0.011 0.000 0.811 274 E CB -0.284 29.422 29.700 0.009 0.000 0.746 274 E HN 0.502 nan 8.360 nan 0.000 0.466 275 K N 1.253 121.661 120.400 0.013 0.000 2.355 275 K HA 0.044 4.364 4.320 0.000 0.000 0.270 275 K C -1.784 174.823 176.600 0.012 0.000 1.003 275 K CA -1.232 55.062 56.287 0.012 0.000 0.957 275 K CB 0.384 32.893 32.500 0.016 0.000 0.939 275 K HN -0.038 nan 8.250 nan 0.000 0.482 276 P HA -0.137 nan 4.420 nan 0.000 0.221 276 P C 0.024 177.335 177.300 0.018 0.000 1.145 276 P CA 1.169 64.275 63.100 0.010 0.000 0.795 276 P CB 0.275 31.981 31.700 0.009 0.000 0.775 277 E N -0.876 119.339 120.200 0.025 0.000 2.482 277 E HA 0.065 4.415 4.350 0.000 0.000 0.196 277 E C 1.595 178.224 176.600 0.048 0.000 1.047 277 E CA 0.421 56.844 56.400 0.039 0.000 0.869 277 E CB -0.985 28.735 29.700 0.034 0.000 0.836 277 E HN 0.138 nan 8.360 nan 0.000 0.520 278 G N 0.993 109.813 108.800 0.034 0.000 3.401 278 G HA2 0.321 4.281 3.960 0.000 0.000 0.251 278 G HA3 0.321 4.281 3.960 0.000 0.000 0.251 278 G C -0.622 174.297 174.900 0.032 0.000 0.960 278 G CA -0.162 44.961 45.100 0.038 0.000 1.900 278 G HN 0.041 nan 8.290 nan 0.000 0.645 279 L N 0.270 121.515 121.223 0.038 0.000 2.431 279 L HA 0.692 5.032 4.340 0.000 0.000 0.266 279 L C -0.607 176.305 176.870 0.070 0.000 0.978 279 L CA -0.753 54.087 54.840 0.001 0.000 0.822 279 L CB 2.192 44.159 42.059 -0.153 0.000 1.310 279 L HN 0.525 nan 8.230 nan 0.000 0.409 280 E N 3.676 123.944 120.200 0.114 0.000 2.433 280 E HA 0.653 5.003 4.350 0.000 0.000 0.278 280 E C -2.900 173.776 176.600 0.126 0.000 0.976 280 E CA -2.435 54.059 56.400 0.157 0.000 0.793 280 E CB 1.569 31.380 29.700 0.185 0.000 1.311 280 E HN 0.199 nan 8.360 nan 0.000 0.460 281 P HA -0.033 nan 4.420 nan 0.000 0.265 281 P C -1.000 175.942 177.300 -0.597 0.000 1.187 281 P CA 0.004 62.868 63.100 -0.392 0.000 0.766 281 P CB 0.136 31.572 31.700 -0.441 0.000 0.820 282 F N 3.723 123.356 119.950 -0.528 0.000 2.495 282 F HA 0.230 4.757 4.527 -0.000 0.000 0.365 282 F C -0.495 174.993 175.800 -0.520 0.000 1.090 282 F CA 0.105 57.864 58.000 -0.401 0.000 1.235 282 F CB 0.064 38.933 39.000 -0.218 0.000 1.119 282 F HN 0.235 nan 8.300 nan 0.000 0.562 283 Y N 7.914 127.751 120.300 -0.771 0.000 2.575 283 Y HA 0.330 4.880 4.550 -0.000 0.000 0.326 283 Y C -1.705 173.687 175.900 -0.845 0.000 0.979 283 Y CA -2.603 55.162 58.100 -0.558 0.000 1.286 283 Y CB 0.743 39.033 38.460 -0.283 0.000 1.093 283 Y HN 0.490 nan 8.280 nan 0.000 0.501 284 P HA -0.271 nan 4.420 nan 0.000 0.216 284 P C 1.572 178.762 177.300 -0.184 0.000 1.154 284 P CA 1.779 64.687 63.100 -0.319 0.000 0.865 284 P CB 0.474 32.152 31.700 -0.037 0.000 0.789 285 E N -0.494 119.646 120.200 -0.100 0.000 2.085 285 E HA -0.271 4.079 4.350 0.000 0.000 0.194 285 E C 2.284 178.908 176.600 0.039 0.000 0.994 285 E CA 1.110 57.509 56.400 -0.003 0.000 0.801 285 E CB -0.195 29.539 29.700 0.058 0.000 0.743 285 E HN 0.016 nan 8.360 nan 0.000 0.453 286 R N -0.006 120.478 120.500 -0.027 0.000 2.066 286 R HA -0.135 4.205 4.340 0.000 0.000 0.232 286 R C 2.514 178.812 176.300 -0.003 0.000 1.131 286 R CA 1.182 57.279 56.100 -0.006 0.000 0.955 286 R CB -0.253 30.045 30.300 -0.004 0.000 0.851 286 R HN 0.234 nan 8.270 nan 0.000 0.432 287 L N 0.577 121.757 121.223 -0.071 0.000 2.141 287 L HA -0.002 4.338 4.340 0.000 0.000 0.209 287 L C 2.235 179.128 176.870 0.039 0.000 1.094 287 L CA 1.750 56.601 54.840 0.019 0.000 0.763 287 L CB -0.356 41.778 42.059 0.124 0.000 0.908 287 L HN 0.271 nan 8.230 nan 0.000 0.437 288 A N -0.610 122.221 122.820 0.018 0.000 1.908 288 A HA -0.125 4.195 4.320 0.000 0.000 0.218 288 A C 2.339 180.002 177.584 0.131 0.000 1.181 288 A CA 1.631 53.681 52.037 0.021 0.000 0.627 288 A CB -1.514 17.415 19.000 -0.120 0.000 0.818 288 A HN 0.488 nan 8.150 nan 0.000 0.445 289 G N -0.730 108.187 108.800 0.195 0.000 2.418 289 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 289 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 289 G C 1.731 176.678 174.900 0.079 0.000 1.158 289 G CA 1.083 46.279 45.100 0.160 0.000 0.771 289 G HN 0.584 nan 8.290 nan 0.000 0.545 290 R N 0.019 120.555 120.500 0.060 0.000 2.075 290 R HA 0.088 4.428 4.340 0.000 0.000 0.232 290 R C 2.505 178.824 176.300 0.033 0.000 1.126 290 R CA 1.046 57.170 56.100 0.041 0.000 0.963 290 R CB -0.356 29.970 30.300 0.042 0.000 0.858 290 R HN 0.393 nan 8.270 nan 0.000 0.435 291 I N 0.665 121.253 120.570 0.030 0.000 2.286 291 I HA -0.281 3.889 4.170 0.000 0.000 0.248 291 I C 1.711 177.833 176.117 0.008 0.000 1.115 291 I CA 1.227 62.530 61.300 0.005 0.000 1.392 291 I CB -0.017 37.967 38.000 -0.027 0.000 1.065 291 I HN 0.261 nan 8.210 nan 0.000 0.418 292 L N -0.122 121.121 121.223 0.034 0.000 2.558 292 L HA 0.175 4.515 4.340 0.000 0.000 0.225 292 L C 1.288 178.180 176.870 0.036 0.000 1.128 292 L CA -0.249 54.617 54.840 0.045 0.000 0.868 292 L CB -0.527 41.587 42.059 0.092 0.000 1.006 292 L HN 0.183 nan 8.230 nan 0.000 0.454 293 G N 0.000 108.818 108.800 0.029 0.000 5.446 293 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 293 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 293 G CA 0.000 45.111 45.100 0.019 0.000 0.502 293 G HN 0.000 nan 8.290 nan 0.000 0.925