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 2eta_1_B DATA FIRST_RESID 75 DATA SEQUENCE FDRDRLFSVV SRGVPEELTG LLEYLRWNSK YLTDSAYTEG STGKTCLMKA DATA SEQUENCE VLNLQDGVNA CIMPLLQIDK DSGNPKPLVN AQCTDEFYQG HSALHIAIEK DATA SEQUENCE RSLQCVKLLV ENGADVHLRA CGRFFQXXXX XXFYFGELPL SLAACTKQWD DATA SEQUENCE VVTYLLENPH QPASLEATDS LGNTVLHALV MIADNSPENS ALVIHMYDGL DATA SEQUENCE LQMGARLCPT VQLEEISNHQ GLTPLKLAAK EGKIEIFRHI LQREFS 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 75 F HA 0.000 nan 4.527 nan 0.000 0.279 75 F C 0.000 175.680 175.800 -0.200 0.000 0.967 75 F CA 0.000 57.742 58.000 -0.430 0.000 1.383 75 F CB 0.000 38.638 39.000 -0.603 0.000 1.145 76 D N 0.225 120.659 120.400 0.057 0.000 2.393 76 D HA 0.088 4.728 4.640 0.000 0.000 0.246 76 D C 1.489 177.914 176.300 0.208 0.000 1.275 76 D CA -0.491 53.568 54.000 0.098 0.000 0.979 76 D CB 0.690 41.496 40.800 0.009 0.000 1.101 76 D HN 0.342 nan 8.370 nan 0.000 0.505 77 R N -0.326 120.222 120.500 0.081 0.000 2.083 77 R HA -0.191 4.149 4.340 0.000 0.000 0.237 77 R C 1.140 177.448 176.300 0.013 0.000 1.137 77 R CA 1.732 57.875 56.100 0.071 0.000 0.951 77 R CB -0.231 29.951 30.300 -0.196 0.000 0.851 77 R HN 0.425 nan 8.270 nan 0.000 0.434 78 D N -0.146 120.237 120.400 -0.028 0.000 2.104 78 D HA -0.196 4.444 4.640 0.000 0.000 0.194 78 D C 1.998 178.353 176.300 0.092 0.000 0.994 78 D CA 1.467 55.465 54.000 -0.004 0.000 0.830 78 D CB -0.180 40.609 40.800 -0.018 0.000 0.959 78 D HN 0.210 nan 8.370 nan 0.000 0.452 79 R N 0.577 121.133 120.500 0.094 0.000 2.090 79 R HA 0.020 4.360 4.340 0.000 0.000 0.228 79 R C 2.300 178.719 176.300 0.198 0.000 1.110 79 R CA 0.697 56.855 56.100 0.095 0.000 0.973 79 R CB -0.683 29.620 30.300 0.005 0.000 0.869 79 R HN 0.179 nan 8.270 nan 0.000 0.440 80 L N -0.291 121.119 121.223 0.312 0.000 2.017 80 L HA -0.117 4.223 4.340 0.000 0.000 0.208 80 L C 1.700 178.781 176.870 0.351 0.000 1.073 80 L CA 1.623 56.683 54.840 0.367 0.000 0.745 80 L CB -0.313 41.999 42.059 0.422 0.000 0.894 80 L HN 0.231 nan 8.230 nan 0.000 0.432 81 F N -0.279 119.731 119.950 0.099 0.000 2.216 81 F HA -0.190 4.337 4.527 0.000 0.000 0.300 81 F C 3.061 178.891 175.800 0.049 0.000 1.085 81 F CA 1.347 59.388 58.000 0.067 0.000 1.326 81 F CB -1.032 38.008 39.000 0.066 0.000 1.027 81 F HN 0.133 nan 8.300 nan 0.000 0.497 82 S N -0.211 115.633 115.700 0.239 0.000 2.356 82 S HA -0.134 4.336 4.470 0.000 0.000 0.223 82 S C 2.295 176.950 174.600 0.092 0.000 1.032 82 S CA 1.443 59.721 58.200 0.130 0.000 1.005 82 S CB -0.586 62.670 63.200 0.093 0.000 0.867 82 S HN 0.084 nan 8.310 nan 0.000 0.449 83 V N 1.097 121.075 119.914 0.106 0.000 2.261 83 V HA -0.103 4.017 4.120 0.000 0.000 0.246 83 V C 2.504 178.626 176.094 0.047 0.000 1.047 83 V CA 1.865 64.214 62.300 0.083 0.000 1.015 83 V CB -0.690 31.213 31.823 0.134 0.000 0.642 83 V HN 0.450 nan 8.190 nan 0.000 0.446 84 V N 0.606 120.539 119.914 0.031 0.000 2.515 84 V HA -0.179 3.941 4.120 0.000 0.000 0.250 84 V C 2.668 178.741 176.094 -0.034 0.000 1.058 84 V CA 2.249 64.533 62.300 -0.027 0.000 1.064 84 V CB -0.054 31.714 31.823 -0.091 0.000 0.675 84 V HN 0.792 nan 8.190 nan 0.000 0.461 85 S N -0.555 115.138 115.700 -0.012 0.000 2.489 85 S HA -0.070 4.400 4.470 0.000 0.000 0.228 85 S C 1.948 176.549 174.600 0.002 0.000 0.995 85 S CA 0.649 58.844 58.200 -0.008 0.000 0.934 85 S CB -0.294 62.917 63.200 0.017 0.000 0.771 85 S HN 0.611 nan 8.310 nan 0.000 0.522 86 R N 0.425 120.932 120.500 0.010 0.000 2.210 86 R HA 0.257 4.597 4.340 0.000 0.000 0.203 86 R C 1.502 177.803 176.300 0.001 0.000 1.010 86 R CA 0.500 56.605 56.100 0.009 0.000 1.008 86 R CB -0.252 30.057 30.300 0.015 0.000 0.923 86 R HN 0.565 nan 8.270 nan 0.000 0.469 87 G N 1.049 109.848 108.800 -0.002 0.000 2.160 87 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 87 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 87 G C -0.140 174.757 174.900 -0.004 0.000 1.022 87 G CA 0.015 45.110 45.100 -0.009 0.000 0.741 87 G HN 0.142 nan 8.290 nan 0.000 0.508 88 V N 1.645 121.562 119.914 0.005 0.000 2.318 88 V HA 0.314 4.434 4.120 0.000 0.000 0.271 88 V C -0.201 175.902 176.094 0.014 0.000 1.030 88 V CA -0.754 61.551 62.300 0.007 0.000 0.844 88 V CB 1.555 33.384 31.823 0.010 0.000 1.015 88 V HN 0.163 nan 8.190 nan 0.000 0.460 89 P HA -0.098 nan 4.420 nan 0.000 0.223 89 P C 1.031 178.344 177.300 0.023 0.000 1.151 89 P CA 0.902 64.007 63.100 0.007 0.000 0.787 89 P CB 0.476 32.173 31.700 -0.005 0.000 0.788 90 E N 0.816 121.031 120.200 0.025 0.000 2.268 90 E HA -0.140 4.210 4.350 0.000 0.000 0.195 90 E C 1.445 178.081 176.600 0.061 0.000 0.995 90 E CA 0.790 57.211 56.400 0.034 0.000 0.836 90 E CB -0.486 29.227 29.700 0.022 0.000 0.763 90 E HN 0.543 nan 8.360 nan 0.000 0.491 91 E N 0.540 120.782 120.200 0.070 0.000 2.511 91 E HA 0.025 4.375 4.350 0.000 0.000 0.196 91 E C 1.477 178.227 176.600 0.250 0.000 1.066 91 E CA 0.009 56.475 56.400 0.110 0.000 0.871 91 E CB 0.010 29.754 29.700 0.074 0.000 0.863 91 E HN 0.239 nan 8.360 nan 0.000 0.520 92 L N 0.658 121.988 121.223 0.179 0.000 2.592 92 L HA 0.063 4.403 4.340 0.000 0.000 0.227 92 L C 0.673 177.613 176.870 0.116 0.000 1.127 92 L CA 0.020 54.935 54.840 0.125 0.000 0.884 92 L CB 0.105 42.154 42.059 -0.016 0.000 1.065 92 L HN -0.088 nan 8.230 nan 0.000 0.457 93 T N 0.720 115.384 114.554 0.183 0.000 2.867 93 T HA 0.263 4.613 4.350 0.000 0.000 0.297 93 T C 1.189 176.046 174.700 0.261 0.000 0.989 93 T CA 1.084 63.272 62.100 0.146 0.000 1.159 93 T CB 0.861 69.790 68.868 0.101 0.000 0.928 93 T HN 0.593 nan 8.240 nan 0.000 0.538 94 G N 2.586 111.487 108.800 0.169 0.000 2.213 94 G HA2 -0.238 3.722 3.960 0.000 0.000 0.236 94 G HA3 -0.238 3.722 3.960 0.000 0.000 0.236 94 G C 0.866 175.857 174.900 0.152 0.000 0.991 94 G CA 0.211 45.452 45.100 0.235 0.000 0.629 94 G HN 0.655 nan 8.290 nan 0.000 0.517 95 L N -0.113 120.962 121.223 -0.246 0.000 2.017 95 L HA 0.021 4.361 4.340 0.000 0.000 0.208 95 L C 2.786 179.550 176.870 -0.177 0.000 1.073 95 L CA 2.403 56.849 54.840 -0.655 0.000 0.745 95 L CB -0.315 41.205 42.059 -0.898 0.000 0.894 95 L HN 0.417 nan 8.230 nan 0.000 0.432 96 L N 0.299 121.464 121.223 -0.096 0.000 2.013 96 L HA -0.264 4.076 4.340 0.000 0.000 0.212 96 L C 2.249 179.154 176.870 0.058 0.000 1.073 96 L CA 1.914 56.746 54.840 -0.014 0.000 0.753 96 L CB -0.498 41.559 42.059 -0.004 0.000 0.890 96 L HN 0.203 nan 8.230 nan 0.000 0.432 97 E N -1.696 118.558 120.200 0.091 0.000 2.072 97 E HA -0.248 4.102 4.350 0.000 0.000 0.191 97 E C 2.031 178.752 176.600 0.202 0.000 0.985 97 E CA 1.600 58.083 56.400 0.137 0.000 0.801 97 E CB -0.537 29.234 29.700 0.118 0.000 0.750 97 E HN 0.639 nan 8.360 nan 0.000 0.452 98 Y N 0.846 121.215 120.300 0.115 0.000 2.165 98 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 98 Y C 1.710 177.721 175.900 0.186 0.000 1.155 98 Y CA 1.527 59.734 58.100 0.179 0.000 1.164 98 Y CB -0.049 38.555 38.460 0.240 0.000 0.978 98 Y HN -0.014 nan 8.280 nan 0.000 0.513 99 L N -0.375 120.948 121.223 0.168 0.000 2.027 99 L HA -0.201 4.139 4.340 0.000 0.000 0.206 99 L C 2.610 179.480 176.870 -0.001 0.000 1.074 99 L CA 1.475 56.355 54.840 0.068 0.000 0.745 99 L CB -0.567 41.523 42.059 0.052 0.000 0.898 99 L HN 0.092 nan 8.230 nan 0.000 0.433 100 R N -0.767 119.762 120.500 0.049 0.000 2.096 100 R HA -0.218 4.122 4.340 0.000 0.000 0.235 100 R C 2.177 178.500 176.300 0.040 0.000 1.127 100 R CA 1.701 57.823 56.100 0.038 0.000 0.968 100 R CB -0.485 29.862 30.300 0.078 0.000 0.861 100 R HN 0.548 nan 8.270 nan 0.000 0.440 101 W N 2.023 123.262 121.300 -0.101 0.000 2.355 101 W HA -0.115 4.544 4.660 -0.000 0.000 0.309 101 W C 0.844 177.266 176.519 -0.161 0.000 1.206 101 W CA 1.213 58.488 57.345 -0.116 0.000 1.284 101 W CB -0.115 29.273 29.460 -0.119 0.000 1.145 101 W HN 0.092 nan 8.180 nan 0.000 0.502 102 N N 0.458 119.110 118.700 -0.080 0.000 2.398 102 N HA -0.051 4.689 4.740 0.000 0.000 0.188 102 N C 0.213 175.612 175.510 -0.185 0.000 1.122 102 N CA 0.881 53.826 53.050 -0.175 0.000 0.866 102 N CB 0.106 38.451 38.487 -0.237 0.000 0.970 102 N HN -0.164 nan 8.380 nan 0.000 0.462 103 S N 0.565 116.147 115.700 -0.197 0.000 3.628 103 S HA -0.164 4.306 4.470 0.000 0.000 0.373 103 S C -0.105 174.287 174.600 -0.347 0.000 0.968 103 S CA 0.976 59.027 58.200 -0.249 0.000 1.215 103 S CB -0.963 62.109 63.200 -0.212 0.000 0.912 103 S HN 0.412 nan 8.310 nan 0.000 0.495 104 K N -0.211 119.996 120.400 -0.320 0.000 2.340 104 K HA 0.707 5.027 4.320 0.000 0.000 0.244 104 K C -0.723 175.674 176.600 -0.338 0.000 0.973 104 K CA -0.693 55.442 56.287 -0.254 0.000 0.828 104 K CB 1.452 34.005 32.500 0.089 0.000 1.226 104 K HN 0.241 nan 8.250 nan 0.000 0.437 105 Y N 0.379 120.771 120.300 0.153 0.000 2.562 105 Y HA 0.259 4.809 4.550 0.000 0.000 0.343 105 Y C 1.084 177.055 175.900 0.118 0.000 1.025 105 Y CA -1.036 57.119 58.100 0.093 0.000 1.082 105 Y CB 1.345 39.846 38.460 0.068 0.000 1.264 105 Y HN 0.323 nan 8.280 nan 0.000 0.478 106 L N 0.476 121.802 121.223 0.172 0.000 2.551 106 L HA -0.075 4.265 4.340 0.000 0.000 0.228 106 L C 1.593 178.572 176.870 0.181 0.000 1.153 106 L CA 1.224 56.080 54.840 0.027 0.000 0.851 106 L CB -0.422 41.591 42.059 -0.076 0.000 0.959 106 L HN 0.799 nan 8.230 nan 0.000 0.451 107 T N -5.645 109.039 114.554 0.217 0.000 3.086 107 T HA 0.106 4.457 4.350 0.000 0.000 0.250 107 T C 0.501 175.336 174.700 0.224 0.000 1.074 107 T CA -0.490 61.725 62.100 0.191 0.000 0.988 107 T CB -0.163 68.777 68.868 0.120 0.000 0.988 107 T HN -0.010 nan 8.240 nan 0.000 0.530 108 D N 2.520 123.096 120.400 0.293 0.000 2.362 108 D HA 0.194 4.834 4.640 0.000 0.000 0.242 108 D C 1.501 177.915 176.300 0.190 0.000 1.132 108 D CA 0.082 54.222 54.000 0.234 0.000 0.907 108 D CB 1.566 42.507 40.800 0.235 0.000 1.195 108 D HN 0.298 nan 8.370 nan 0.000 0.429 109 S N 0.886 116.655 115.700 0.115 0.000 2.419 109 S HA -0.204 4.266 4.470 0.000 0.000 0.235 109 S C 1.839 176.455 174.600 0.027 0.000 1.019 109 S CA 0.981 59.227 58.200 0.077 0.000 0.982 109 S CB -0.258 62.972 63.200 0.051 0.000 0.789 109 S HN 0.505 nan 8.310 nan 0.000 0.490 110 A N 0.290 123.093 122.820 -0.028 0.000 1.978 110 A HA 0.017 4.337 4.320 0.000 0.000 0.220 110 A C 1.702 179.130 177.584 -0.261 0.000 1.170 110 A CA 1.254 53.183 52.037 -0.180 0.000 0.636 110 A CB -0.833 17.994 19.000 -0.287 0.000 0.810 110 A HN 0.673 nan 8.150 nan 0.000 0.448 111 Y N 0.224 120.578 120.300 0.091 0.000 2.458 111 Y HA 0.171 4.721 4.550 0.000 0.000 0.256 111 Y C 1.187 177.194 175.900 0.178 0.000 1.159 111 Y CA 0.304 58.486 58.100 0.136 0.000 1.261 111 Y CB 0.074 38.649 38.460 0.191 0.000 1.119 111 Y HN 0.327 nan 8.280 nan 0.000 0.524 112 T N -2.753 111.932 114.554 0.218 0.000 2.885 112 T HA 0.402 4.752 4.350 0.000 0.000 0.285 112 T C -0.329 174.405 174.700 0.056 0.000 1.019 112 T CA -1.011 61.224 62.100 0.224 0.000 1.010 112 T CB 1.921 70.918 68.868 0.213 0.000 1.022 112 T HN 0.044 nan 8.240 nan 0.000 0.466 113 E N 0.908 121.146 120.200 0.064 0.000 2.415 113 E HA 0.224 4.574 4.350 0.000 0.000 0.263 113 E C 1.352 177.979 176.600 0.044 0.000 0.995 113 E CA -0.018 56.384 56.400 0.004 0.000 0.915 113 E CB 0.578 30.318 29.700 0.067 0.000 0.951 113 E HN 0.896 nan 8.360 nan 0.000 0.449 114 G N 2.186 110.997 108.800 0.018 0.000 2.422 114 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 114 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 114 G C 1.526 176.459 174.900 0.055 0.000 1.140 114 G CA 0.847 45.967 45.100 0.033 0.000 0.775 114 G HN 0.552 nan 8.290 nan 0.000 0.545 115 S N 0.247 115.986 115.700 0.064 0.000 2.414 115 S HA -0.071 4.399 4.470 0.000 0.000 0.227 115 S C 2.151 176.823 174.600 0.120 0.000 1.022 115 S CA 1.866 60.119 58.200 0.089 0.000 0.958 115 S CB -0.332 62.924 63.200 0.093 0.000 0.797 115 S HN 0.473 nan 8.310 nan 0.000 0.493 116 T N -3.579 111.048 114.554 0.123 0.000 2.999 116 T HA 0.535 4.886 4.350 0.000 0.000 0.247 116 T C 1.637 176.419 174.700 0.136 0.000 1.012 116 T CA 0.565 62.753 62.100 0.147 0.000 1.048 116 T CB -0.197 68.756 68.868 0.141 0.000 1.020 116 T HN 1.165 nan 8.240 nan 0.000 0.478 117 G N 2.041 110.917 108.800 0.126 0.000 2.143 117 G HA2 -0.274 3.686 3.960 0.000 0.000 0.248 117 G HA3 -0.274 3.686 3.960 0.000 0.000 0.248 117 G C -0.042 174.953 174.900 0.159 0.000 0.991 117 G CA 0.229 45.409 45.100 0.133 0.000 0.689 117 G HN 0.780 nan 8.290 nan 0.000 0.522 118 K N 1.605 122.109 120.400 0.174 0.000 2.447 118 K HA 0.342 4.662 4.320 0.000 0.000 0.281 118 K C 1.319 178.101 176.600 0.304 0.000 1.031 118 K CA 0.775 57.182 56.287 0.199 0.000 1.019 118 K CB 0.129 32.750 32.500 0.201 0.000 0.918 118 K HN 0.446 nan 8.250 nan 0.000 0.476 119 T N 0.041 114.706 114.554 0.186 0.000 2.897 119 T HA 0.112 4.462 4.350 0.000 0.000 0.278 119 T C 1.771 176.360 174.700 -0.184 0.000 0.981 119 T CA -0.494 61.706 62.100 0.167 0.000 0.973 119 T CB 0.940 69.859 68.868 0.086 0.000 1.092 119 T HN 0.823 nan 8.240 nan 0.000 0.543 120 C N 0.406 119.511 119.300 -0.325 0.000 2.432 120 C HA 0.067 4.527 4.460 0.000 0.000 0.280 120 C C 2.440 177.196 174.990 -0.390 0.000 1.353 120 C CA 0.349 58.936 59.018 -0.718 0.000 1.766 120 C CB -2.053 25.489 27.740 -0.329 0.000 1.924 120 C HN 0.810 nan 8.230 nan 0.000 0.509 121 L N 1.001 122.102 121.223 -0.204 0.000 2.072 121 L HA 0.074 4.414 4.340 0.000 0.000 0.205 121 L C 2.669 179.468 176.870 -0.118 0.000 1.079 121 L CA 1.900 56.660 54.840 -0.133 0.000 0.752 121 L CB -0.680 41.334 42.059 -0.076 0.000 0.906 121 L HN 0.263 nan 8.230 nan 0.000 0.436 122 M N -0.638 118.904 119.600 -0.097 0.000 2.080 122 M HA -0.252 4.228 4.480 0.000 0.000 0.260 122 M C 2.292 178.530 176.300 -0.103 0.000 1.068 122 M CA 1.991 57.256 55.300 -0.059 0.000 1.109 122 M CB -0.402 32.195 32.600 -0.005 0.000 1.342 122 M HN 0.118 nan 8.290 nan 0.000 0.405 123 K N 0.804 121.077 120.400 -0.211 0.000 2.044 123 K HA -0.153 4.167 4.320 0.000 0.000 0.210 123 K C 1.828 178.332 176.600 -0.161 0.000 1.049 123 K CA 2.040 58.187 56.287 -0.233 0.000 0.927 123 K CB -0.600 31.575 32.500 -0.543 0.000 0.713 123 K HN 0.305 nan 8.250 nan 0.000 0.443 124 A N -0.054 122.660 122.820 -0.176 0.000 1.883 124 A HA -0.150 4.170 4.320 0.000 0.000 0.217 124 A C 2.333 179.873 177.584 -0.074 0.000 1.186 124 A CA 2.110 54.080 52.037 -0.111 0.000 0.624 124 A CB -0.911 18.023 19.000 -0.109 0.000 0.822 124 A HN 0.146 nan 8.150 nan 0.000 0.444 125 V N -0.106 119.767 119.914 -0.068 0.000 2.594 125 V HA -0.207 3.913 4.120 0.000 0.000 0.253 125 V C 2.348 178.425 176.094 -0.028 0.000 1.069 125 V CA 1.691 63.965 62.300 -0.043 0.000 1.082 125 V CB -0.720 31.085 31.823 -0.030 0.000 0.680 125 V HN 0.542 nan 8.190 nan 0.000 0.469 126 L N -0.031 121.173 121.223 -0.032 0.000 2.465 126 L HA 0.035 4.375 4.340 0.000 0.000 0.224 126 L C 1.107 177.967 176.870 -0.016 0.000 1.145 126 L CA 0.881 55.710 54.840 -0.017 0.000 0.834 126 L CB -0.221 41.826 42.059 -0.021 0.000 0.944 126 L HN 0.385 nan 8.230 nan 0.000 0.451 127 N N 0.300 118.984 118.700 -0.026 0.000 2.598 127 N HA 0.264 5.004 4.740 0.000 0.000 0.309 127 N C -0.503 174.994 175.510 -0.023 0.000 1.645 127 N CA -0.096 52.942 53.050 -0.021 0.000 0.936 127 N CB 0.881 39.355 38.487 -0.022 0.000 1.323 127 N HN 0.181 nan 8.380 nan 0.000 0.497 128 L N 1.128 122.338 121.223 -0.022 0.000 2.416 128 L HA 0.164 4.504 4.340 0.000 0.000 0.272 128 L C 0.459 177.317 176.870 -0.019 0.000 1.161 128 L CA 0.230 55.056 54.840 -0.024 0.000 0.845 128 L CB 0.555 42.598 42.059 -0.026 0.000 1.119 128 L HN -0.011 nan 8.230 nan 0.000 0.464 129 Q N 2.378 122.166 119.800 -0.020 0.000 2.331 129 Q HA 0.202 4.542 4.340 0.000 0.000 0.267 129 Q C -0.797 175.191 176.000 -0.019 0.000 1.006 129 Q CA -0.637 55.156 55.803 -0.017 0.000 0.818 129 Q CB 1.647 30.376 28.738 -0.014 0.000 1.276 129 Q HN 0.491 nan 8.270 nan 0.000 0.450 130 D N 2.290 122.679 120.400 -0.018 0.000 2.708 130 D HA -0.218 4.422 4.640 0.000 0.000 0.236 130 D C 0.713 176.998 176.300 -0.026 0.000 1.146 130 D CA 1.496 55.484 54.000 -0.020 0.000 0.662 130 D CB -1.092 39.697 40.800 -0.018 0.000 1.059 130 D HN 1.107 nan 8.370 nan 0.000 0.428 131 G N -1.909 106.875 108.800 -0.027 0.000 2.184 131 G HA2 -0.246 3.714 3.960 0.000 0.000 0.264 131 G HA3 -0.246 3.714 3.960 0.000 0.000 0.264 131 G C 0.439 175.315 174.900 -0.040 0.000 0.975 131 G CA 1.157 46.236 45.100 -0.035 0.000 0.642 131 G HN 1.322 nan 8.290 nan 0.000 0.536 132 V N -3.134 116.759 119.914 -0.036 0.000 3.001 132 V HA 0.919 5.039 4.120 0.000 0.000 0.314 132 V C -0.549 175.524 176.094 -0.034 0.000 1.099 132 V CA -1.091 61.186 62.300 -0.038 0.000 0.989 132 V CB 2.303 34.105 31.823 -0.037 0.000 1.040 132 V HN 0.486 nan 8.190 nan 0.000 0.434 133 N N 1.629 120.307 118.700 -0.038 0.000 2.571 133 N HA 0.483 5.223 4.740 0.000 0.000 0.286 133 N C 0.387 175.875 175.510 -0.037 0.000 1.138 133 N CA 0.223 53.251 53.050 -0.036 0.000 0.859 133 N CB 2.049 40.512 38.487 -0.041 0.000 1.414 133 N HN 1.123 nan 8.380 nan 0.000 0.529 134 A N 1.992 124.794 122.820 -0.030 0.000 2.225 134 A HA -0.060 4.260 4.320 0.000 0.000 0.215 134 A C 1.774 179.340 177.584 -0.030 0.000 1.164 134 A CA 0.880 52.900 52.037 -0.028 0.000 0.710 134 A CB -0.461 18.526 19.000 -0.021 0.000 0.780 134 A HN 0.752 nan 8.150 nan 0.000 0.473 135 C N -1.101 118.179 119.300 -0.034 0.000 2.514 135 C HA 0.169 4.629 4.460 0.000 0.000 0.271 135 C C 2.376 177.335 174.990 -0.052 0.000 1.399 135 C CA 0.078 59.073 59.018 -0.039 0.000 1.765 135 C CB -1.237 26.480 27.740 -0.039 0.000 1.893 135 C HN 0.666 nan 8.230 nan 0.000 0.531 136 I N 0.441 120.979 120.570 -0.054 0.000 2.090 136 I HA -0.264 3.906 4.170 0.000 0.000 0.236 136 I C 2.660 178.742 176.117 -0.058 0.000 1.064 136 I CA 1.642 62.906 61.300 -0.060 0.000 1.324 136 I CB -0.468 37.497 38.000 -0.060 0.000 1.044 136 I HN 0.219 nan 8.210 nan 0.000 0.399 137 M N 1.250 120.819 119.600 -0.053 0.000 2.073 137 M HA -0.135 4.345 4.480 0.000 0.000 0.258 137 M C -0.755 175.516 176.300 -0.048 0.000 1.070 137 M CA 2.386 57.656 55.300 -0.051 0.000 1.103 137 M CB -1.481 31.091 32.600 -0.046 0.000 1.321 137 M HN -0.069 nan 8.290 nan 0.000 0.405 138 P HA -0.163 nan 4.420 nan 0.000 0.216 138 P C 1.662 178.927 177.300 -0.060 0.000 1.150 138 P CA 1.093 64.165 63.100 -0.046 0.000 0.843 138 P CB -0.218 31.458 31.700 -0.040 0.000 0.787 139 L N -1.451 119.731 121.223 -0.068 0.000 2.056 139 L HA -0.095 4.245 4.340 0.000 0.000 0.207 139 L C 2.329 179.158 176.870 -0.069 0.000 1.078 139 L CA 1.615 56.406 54.840 -0.081 0.000 0.749 139 L CB -1.512 40.495 42.059 -0.087 0.000 0.901 139 L HN -0.073 nan 8.230 nan 0.000 0.433 140 L N -1.583 119.603 121.223 -0.061 0.000 2.056 140 L HA -0.220 4.120 4.340 0.000 0.000 0.207 140 L C 2.551 179.393 176.870 -0.047 0.000 1.078 140 L CA 0.995 55.803 54.840 -0.054 0.000 0.749 140 L CB -0.469 41.557 42.059 -0.055 0.000 0.901 140 L HN 0.274 nan 8.230 nan 0.000 0.433 141 Q N 0.629 120.402 119.800 -0.045 0.000 2.050 141 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 141 Q C 2.089 178.069 176.000 -0.033 0.000 0.980 141 Q CA 1.784 57.565 55.803 -0.037 0.000 0.840 141 Q CB -0.241 28.477 28.738 -0.033 0.000 0.898 141 Q HN 0.449 nan 8.270 nan 0.000 0.424 142 I N 0.368 120.911 120.570 -0.044 0.000 2.226 142 I HA -0.267 3.903 4.170 0.000 0.000 0.245 142 I C 1.951 178.050 176.117 -0.030 0.000 1.100 142 I CA 1.590 62.862 61.300 -0.046 0.000 1.374 142 I CB -0.325 37.625 38.000 -0.084 0.000 1.057 142 I HN 0.316 nan 8.210 nan 0.000 0.413 143 D N 0.941 121.319 120.400 -0.037 0.000 2.104 143 D HA -0.270 4.370 4.640 0.000 0.000 0.194 143 D C 2.149 178.440 176.300 -0.016 0.000 0.994 143 D CA 1.625 55.612 54.000 -0.022 0.000 0.830 143 D CB 0.003 40.781 40.800 -0.036 0.000 0.959 143 D HN 0.122 nan 8.370 nan 0.000 0.452 144 K N 0.049 120.434 120.400 -0.025 0.000 2.009 144 K HA -0.169 4.151 4.320 0.000 0.000 0.210 144 K C 1.504 178.101 176.600 -0.004 0.000 1.049 144 K CA 1.921 58.194 56.287 -0.023 0.000 0.929 144 K CB -0.106 32.379 32.500 -0.026 0.000 0.714 144 K HN 0.055 nan 8.250 nan 0.000 0.440 145 D N 0.005 120.406 120.400 0.002 0.000 2.263 145 D HA -0.115 4.526 4.640 0.000 0.000 0.208 145 D C 1.781 178.106 176.300 0.042 0.000 0.971 145 D CA 1.368 55.378 54.000 0.016 0.000 0.867 145 D CB -0.107 40.698 40.800 0.009 0.000 0.929 145 D HN 0.400 nan 8.370 nan 0.000 0.492 146 S N -0.700 115.037 115.700 0.061 0.000 2.522 146 S HA 0.135 4.605 4.470 0.000 0.000 0.227 146 S C 1.766 176.488 174.600 0.202 0.000 0.986 146 S CA 0.734 59.013 58.200 0.132 0.000 0.929 146 S CB -0.054 63.251 63.200 0.174 0.000 0.769 146 S HN 0.296 nan 8.310 nan 0.000 0.529 147 G N 1.590 110.448 108.800 0.096 0.000 2.147 147 G HA2 -0.277 3.683 3.960 0.000 0.000 0.244 147 G HA3 -0.277 3.683 3.960 0.000 0.000 0.244 147 G C -0.143 174.701 174.900 -0.093 0.000 1.005 147 G CA 0.005 45.136 45.100 0.052 0.000 0.713 147 G HN 0.691 nan 8.290 nan 0.000 0.515 148 N N 1.091 119.650 118.700 -0.235 0.000 2.434 148 N HA 0.228 4.968 4.740 0.000 0.000 0.268 148 N C -0.028 175.218 175.510 -0.440 0.000 1.256 148 N CA -1.126 51.505 53.050 -0.698 0.000 0.914 148 N CB 1.100 39.336 38.487 -0.419 0.000 1.088 148 N HN 0.200 nan 8.380 nan 0.000 0.478 149 P HA -0.021 nan 4.420 nan 0.000 0.229 149 P C -0.565 176.638 177.300 -0.161 0.000 1.160 149 P CA 0.976 63.940 63.100 -0.227 0.000 0.777 149 P CB 0.363 31.961 31.700 -0.170 0.000 0.814 150 K N 0.799 121.087 120.400 -0.188 0.000 2.533 150 K HA 0.344 4.664 4.320 0.000 0.000 0.207 150 K C -2.607 173.941 176.600 -0.087 0.000 1.052 150 K CA -2.096 54.132 56.287 -0.098 0.000 1.030 150 K CB 0.804 33.269 32.500 -0.059 0.000 1.522 150 K HN 0.021 nan 8.250 nan 0.000 0.543 151 P HA -0.133 nan 4.420 nan 0.000 0.263 151 P C 0.710 177.990 177.300 -0.033 0.000 1.175 151 P CA -0.119 62.943 63.100 -0.064 0.000 0.761 151 P CB 0.541 32.210 31.700 -0.051 0.000 0.794 152 L N 5.950 127.156 121.223 -0.028 0.000 2.081 152 L HA -0.174 4.166 4.340 0.000 0.000 0.212 152 L C 2.128 178.994 176.870 -0.006 0.000 1.080 152 L CA 1.751 56.587 54.840 -0.007 0.000 0.754 152 L CB -1.089 40.961 42.059 -0.014 0.000 0.893 152 L HN 0.221 nan 8.230 nan 0.000 0.433 153 V N 0.438 120.340 119.914 -0.020 0.000 2.380 153 V HA -0.304 3.816 4.120 0.000 0.000 0.251 153 V C 1.750 177.841 176.094 -0.005 0.000 1.063 153 V CA 2.392 64.680 62.300 -0.020 0.000 1.055 153 V CB -0.596 31.207 31.823 -0.033 0.000 0.657 153 V HN 0.690 nan 8.190 nan 0.000 0.455 154 N N 0.039 118.740 118.700 0.002 0.000 2.235 154 N HA 0.280 5.020 4.740 0.000 0.000 0.209 154 N C 0.289 175.822 175.510 0.039 0.000 1.122 154 N CA 0.649 53.709 53.050 0.017 0.000 0.845 154 N CB 0.329 38.822 38.487 0.010 0.000 1.004 154 N HN 0.533 nan 8.380 nan 0.000 0.499 155 A N 0.664 123.509 122.820 0.043 0.000 2.483 155 A HA 0.216 4.536 4.320 0.000 0.000 0.238 155 A C 0.295 177.931 177.584 0.087 0.000 1.070 155 A CA 0.256 52.331 52.037 0.064 0.000 0.770 155 A CB 0.466 19.508 19.000 0.070 0.000 1.008 155 A HN 0.230 nan 8.150 nan 0.000 0.497 156 Q N 0.184 120.043 119.800 0.098 0.000 2.394 156 Q HA 0.394 4.734 4.340 0.000 0.000 0.273 156 Q C -1.041 175.037 176.000 0.130 0.000 1.089 156 Q CA -0.825 55.051 55.803 0.121 0.000 0.812 156 Q CB 2.056 30.860 28.738 0.109 0.000 1.353 156 Q HN 0.821 nan 8.270 nan 0.000 0.438 157 C N 1.284 120.683 119.300 0.165 0.000 2.689 157 C HA 0.147 4.607 4.460 0.000 0.000 0.409 157 C C 1.770 176.847 174.990 0.144 0.000 1.293 157 C CA 0.178 59.298 59.018 0.170 0.000 2.136 157 C CB -0.044 27.832 27.740 0.227 0.000 2.719 157 C HN 0.992 nan 8.230 nan 0.000 0.644 158 T N -2.451 112.179 114.554 0.126 0.000 2.975 158 T HA 0.063 4.413 4.350 0.000 0.000 0.257 158 T C 0.268 175.010 174.700 0.070 0.000 1.003 158 T CA -0.071 62.082 62.100 0.089 0.000 0.932 158 T CB -0.157 68.756 68.868 0.075 0.000 1.087 158 T HN 0.852 nan 8.240 nan 0.000 0.512 159 D N 2.593 123.055 120.400 0.102 0.000 2.360 159 D HA -0.015 4.625 4.640 0.000 0.000 0.242 159 D C 1.034 177.316 176.300 -0.029 0.000 1.184 159 D CA -0.271 53.770 54.000 0.069 0.000 0.930 159 D CB 1.157 42.067 40.800 0.182 0.000 1.161 159 D HN 0.578 nan 8.370 nan 0.000 0.447 160 E N -0.322 119.740 120.200 -0.230 0.000 2.418 160 E HA -0.107 4.243 4.350 0.000 0.000 0.197 160 E C 1.279 177.544 176.600 -0.557 0.000 1.026 160 E CA 0.589 56.738 56.400 -0.417 0.000 0.862 160 E CB -0.430 28.945 29.700 -0.540 0.000 0.799 160 E HN 0.477 nan 8.360 nan 0.000 0.518 161 F N -0.418 119.370 119.950 -0.271 0.000 2.317 161 F HA 0.095 4.622 4.527 0.000 0.000 0.293 161 F C 0.925 176.382 175.800 -0.572 0.000 1.085 161 F CA 0.357 57.931 58.000 -0.711 0.000 1.390 161 F CB 0.192 38.510 39.000 -1.137 0.000 1.077 161 F HN -0.039 nan 8.300 nan 0.000 0.517 162 Y N -0.372 120.025 120.300 0.163 0.000 2.696 162 Y HA 0.232 4.782 4.550 -0.000 0.000 0.260 162 Y C 0.504 176.523 175.900 0.199 0.000 1.165 162 Y CA -0.885 57.357 58.100 0.237 0.000 1.189 162 Y CB -0.326 38.219 38.460 0.142 0.000 1.180 162 Y HN -0.178 nan 8.280 nan 0.000 0.538 163 Q N 1.160 121.080 119.800 0.201 0.000 2.478 163 Q HA -0.017 4.323 4.340 0.000 0.000 0.323 163 Q C 1.300 177.386 176.000 0.143 0.000 1.087 163 Q CA 1.830 57.710 55.803 0.129 0.000 1.056 163 Q CB 0.363 29.124 28.738 0.038 0.000 1.018 163 Q HN 0.879 nan 8.270 nan 0.000 0.387 164 G N 3.266 112.146 108.800 0.133 0.000 2.225 164 G HA2 -0.296 3.664 3.960 0.000 0.000 0.254 164 G HA3 -0.296 3.664 3.960 0.000 0.000 0.254 164 G C 0.034 174.974 174.900 0.067 0.000 0.988 164 G CA 0.346 45.498 45.100 0.087 0.000 0.625 164 G HN 0.755 nan 8.290 nan 0.000 0.527 165 H N 1.945 121.024 119.070 0.015 0.000 3.070 165 H HA 0.452 5.008 4.556 0.000 0.000 0.313 165 H C 1.113 176.519 175.328 0.130 0.000 0.997 165 H CA 1.455 57.508 56.048 0.009 0.000 1.438 165 H CB 0.642 30.480 29.762 0.127 0.000 1.455 165 H HN 0.572 nan 8.280 nan 0.000 0.575 166 S N 2.277 118.141 115.700 0.273 0.000 2.704 166 S HA 0.604 5.074 4.470 0.000 0.000 0.305 166 S C 1.350 176.048 174.600 0.164 0.000 1.107 166 S CA -0.483 57.850 58.200 0.221 0.000 0.993 166 S CB 1.837 65.156 63.200 0.199 0.000 1.110 166 S HN 0.691 nan 8.310 nan 0.000 0.534 167 A N 0.541 123.412 122.820 0.084 0.000 1.940 167 A HA -0.039 4.281 4.320 0.000 0.000 0.219 167 A C 2.017 179.605 177.584 0.006 0.000 1.176 167 A CA 1.690 53.751 52.037 0.040 0.000 0.631 167 A CB -1.125 17.875 19.000 0.001 0.000 0.814 167 A HN 0.934 nan 8.150 nan 0.000 0.446 168 L N -0.391 120.809 121.223 -0.038 0.000 1.989 168 L HA -0.209 4.131 4.340 0.000 0.000 0.211 168 L C 2.253 179.026 176.870 -0.163 0.000 1.071 168 L CA 2.691 57.458 54.840 -0.121 0.000 0.749 168 L CB -1.076 40.870 42.059 -0.189 0.000 0.890 168 L HN 0.575 nan 8.230 nan 0.000 0.431 169 H N -0.841 118.145 119.070 -0.140 0.000 2.352 169 H HA -0.150 4.406 4.556 0.000 0.000 0.299 169 H C 2.224 177.467 175.328 -0.142 0.000 1.097 169 H CA 2.267 58.161 56.048 -0.256 0.000 1.311 169 H CB -0.271 29.164 29.762 -0.545 0.000 1.377 169 H HN 0.375 nan 8.280 nan 0.000 0.504 170 I N 0.206 120.845 120.570 0.115 0.000 2.226 170 I HA -0.266 3.904 4.170 0.000 0.000 0.245 170 I C 2.707 178.847 176.117 0.038 0.000 1.100 170 I CA 0.896 62.272 61.300 0.128 0.000 1.374 170 I CB -0.442 37.633 38.000 0.125 0.000 1.057 170 I HN 0.327 nan 8.210 nan 0.000 0.413 171 A N 1.285 124.102 122.820 -0.005 0.000 1.908 171 A HA -0.194 4.126 4.320 0.000 0.000 0.218 171 A C 2.296 179.854 177.584 -0.043 0.000 1.181 171 A CA 1.697 53.714 52.037 -0.034 0.000 0.627 171 A CB -0.840 18.127 19.000 -0.057 0.000 0.818 171 A HN 0.415 nan 8.150 nan 0.000 0.445 172 I N -0.671 119.862 120.570 -0.061 0.000 2.202 172 I HA -0.230 3.941 4.170 0.000 0.000 0.242 172 I C 2.457 178.547 176.117 -0.046 0.000 1.091 172 I CA 1.482 62.740 61.300 -0.070 0.000 1.368 172 I CB -0.561 37.368 38.000 -0.118 0.000 1.058 172 I HN 0.400 nan 8.210 nan 0.000 0.410 173 E N 1.206 121.389 120.200 -0.029 0.000 2.085 173 E HA -0.230 4.120 4.350 0.000 0.000 0.194 173 E C 1.861 178.469 176.600 0.014 0.000 0.994 173 E CA 1.098 57.507 56.400 0.016 0.000 0.801 173 E CB -0.102 29.658 29.700 0.100 0.000 0.743 173 E HN 0.412 nan 8.360 nan 0.000 0.453 174 K N 0.365 120.772 120.400 0.011 0.000 2.555 174 K HA 0.005 4.325 4.320 0.000 0.000 0.193 174 K C 0.046 176.638 176.600 -0.015 0.000 1.032 174 K CA 0.234 56.521 56.287 0.000 0.000 1.004 174 K CB 0.068 32.567 32.500 -0.001 0.000 0.804 174 K HN 0.114 nan 8.250 nan 0.000 0.496 175 R N 0.345 120.833 120.500 -0.021 0.000 3.531 175 R HA -0.115 4.225 4.340 0.000 0.000 0.280 175 R C -0.287 175.993 176.300 -0.033 0.000 1.130 175 R CA 0.573 56.659 56.100 -0.023 0.000 0.757 175 R CB -2.558 27.733 30.300 -0.016 0.000 1.218 175 R HN 0.016 nan 8.270 nan 0.000 0.454 176 S N 0.641 116.315 115.700 -0.044 0.000 2.528 176 S HA 0.301 4.771 4.470 0.000 0.000 0.303 176 S C 0.993 175.542 174.600 -0.085 0.000 1.123 176 S CA -0.769 57.396 58.200 -0.058 0.000 1.138 176 S CB 1.097 64.264 63.200 -0.054 0.000 0.984 176 S HN 0.356 nan 8.310 nan 0.000 0.474 177 L N 5.856 127.020 121.223 -0.097 0.000 2.079 177 L HA -0.103 4.237 4.340 0.000 0.000 0.210 177 L C 2.157 178.909 176.870 -0.198 0.000 1.081 177 L CA 2.104 56.852 54.840 -0.155 0.000 0.752 177 L CB -0.626 41.343 42.059 -0.152 0.000 0.896 177 L HN 0.683 nan 8.230 nan 0.000 0.433 178 Q N -1.362 118.350 119.800 -0.146 0.000 2.077 178 Q HA -0.263 4.077 4.340 0.000 0.000 0.206 178 Q C 2.535 178.453 176.000 -0.136 0.000 0.989 178 Q CA 2.412 58.132 55.803 -0.138 0.000 0.853 178 Q CB -1.103 27.579 28.738 -0.093 0.000 0.907 178 Q HN 0.682 nan 8.270 nan 0.000 0.418 179 C N -0.612 118.621 119.300 -0.111 0.000 2.457 179 C HA -0.037 4.423 4.460 0.000 0.000 0.278 179 C C 2.542 177.468 174.990 -0.106 0.000 1.309 179 C CA 0.364 59.325 59.018 -0.095 0.000 1.735 179 C CB -0.793 26.904 27.740 -0.072 0.000 1.992 179 C HN 0.398 nan 8.230 nan 0.000 0.493 180 V N 1.512 121.350 119.914 -0.126 0.000 2.252 180 V HA -0.279 3.841 4.120 0.000 0.000 0.249 180 V C 2.578 178.596 176.094 -0.126 0.000 1.056 180 V CA 2.320 64.549 62.300 -0.118 0.000 1.022 180 V CB -0.715 31.032 31.823 -0.126 0.000 0.641 180 V HN 0.561 nan 8.190 nan 0.000 0.445 181 K N -0.670 119.558 120.400 -0.287 0.000 2.020 181 K HA -0.241 4.079 4.320 0.000 0.000 0.212 181 K C 2.134 178.670 176.600 -0.106 0.000 1.050 181 K CA 1.712 57.829 56.287 -0.284 0.000 0.929 181 K CB -0.560 31.707 32.500 -0.389 0.000 0.714 181 K HN 0.235 nan 8.250 nan 0.000 0.443 182 L N 1.599 122.752 121.223 -0.116 0.000 2.042 182 L HA -0.180 4.160 4.340 0.000 0.000 0.210 182 L C 2.086 178.906 176.870 -0.083 0.000 1.076 182 L CA 1.533 56.317 54.840 -0.093 0.000 0.749 182 L CB -0.443 41.565 42.059 -0.085 0.000 0.893 182 L HN 0.163 nan 8.230 nan 0.000 0.432 183 L N -2.299 118.882 121.223 -0.071 0.000 2.027 183 L HA -0.189 4.151 4.340 0.000 0.000 0.206 183 L C 2.393 179.231 176.870 -0.053 0.000 1.074 183 L CA 0.846 55.650 54.840 -0.061 0.000 0.745 183 L CB -0.660 41.364 42.059 -0.057 0.000 0.898 183 L HN 0.061 nan 8.230 nan 0.000 0.433 184 V N -0.024 119.881 119.914 -0.016 0.000 2.343 184 V HA -0.254 3.866 4.120 0.000 0.000 0.247 184 V C 2.284 178.327 176.094 -0.084 0.000 1.051 184 V CA 1.719 64.030 62.300 0.018 0.000 1.036 184 V CB -0.509 31.427 31.823 0.190 0.000 0.654 184 V HN 0.466 nan 8.190 nan 0.000 0.451 185 E N 0.325 120.407 120.200 -0.197 0.000 2.265 185 E HA -0.134 4.216 4.350 0.000 0.000 0.196 185 E C 0.863 177.283 176.600 -0.300 0.000 0.996 185 E CA 0.825 56.921 56.400 -0.507 0.000 0.832 185 E CB -0.109 29.365 29.700 -0.375 0.000 0.756 185 E HN 0.607 nan 8.360 nan 0.000 0.491 186 N N -0.486 118.117 118.700 -0.161 0.000 2.467 186 N HA 0.106 4.846 4.740 0.000 0.000 0.278 186 N C 0.258 175.725 175.510 -0.072 0.000 1.306 186 N CA 0.520 53.507 53.050 -0.105 0.000 0.905 186 N CB 1.689 40.124 38.487 -0.087 0.000 1.236 186 N HN 0.214 nan 8.380 nan 0.000 0.509 187 G N 0.455 109.216 108.800 -0.065 0.000 2.176 187 G HA2 -0.264 3.696 3.960 0.000 0.000 0.232 187 G HA3 -0.264 3.696 3.960 0.000 0.000 0.232 187 G C 0.324 175.203 174.900 -0.034 0.000 0.986 187 G CA -0.077 45.000 45.100 -0.039 0.000 0.643 187 G HN 0.549 nan 8.290 nan 0.000 0.522 188 A N 0.519 123.314 122.820 -0.042 0.000 2.566 188 A HA 0.413 4.733 4.320 0.000 0.000 0.245 188 A C 0.527 178.082 177.584 -0.048 0.000 1.056 188 A CA 0.918 52.928 52.037 -0.045 0.000 0.757 188 A CB 0.238 19.205 19.000 -0.055 0.000 0.979 188 A HN 0.504 nan 8.150 nan 0.000 0.508 189 D N 2.660 123.036 120.400 -0.039 0.000 2.339 189 D HA 0.174 4.814 4.640 0.000 0.000 0.256 189 D C 1.158 177.403 176.300 -0.093 0.000 1.214 189 D CA 0.135 54.115 54.000 -0.034 0.000 0.877 189 D CB 1.014 41.820 40.800 0.011 0.000 1.111 189 D HN 0.437 nan 8.370 nan 0.000 0.478 190 V N 2.622 122.422 119.914 -0.191 0.000 3.573 190 V HA 0.091 4.211 4.120 0.000 0.000 0.270 190 V C 0.723 176.567 176.094 -0.417 0.000 1.221 190 V CA 0.692 62.797 62.300 -0.326 0.000 1.163 190 V CB -0.630 30.966 31.823 -0.378 0.000 0.847 190 V HN 0.536 nan 8.190 nan 0.000 0.468 191 H N -0.028 119.026 119.070 -0.026 0.000 2.674 191 H HA 0.462 5.018 4.556 0.000 0.000 0.274 191 H C 0.551 175.901 175.328 0.036 0.000 1.121 191 H CA -0.511 55.538 56.048 0.002 0.000 1.132 191 H CB 0.491 30.257 29.762 0.006 0.000 1.606 191 H HN 0.386 nan 8.280 nan 0.000 0.558 192 L N 1.869 123.160 121.223 0.113 0.000 2.485 192 L HA 0.065 4.405 4.340 0.000 0.000 0.275 192 L C 0.566 177.597 176.870 0.268 0.000 1.207 192 L CA 0.514 55.454 54.840 0.165 0.000 0.855 192 L CB 0.482 42.637 42.059 0.160 0.000 1.114 192 L HN -0.028 nan 8.230 nan 0.000 0.485 193 R N 2.463 123.079 120.500 0.193 0.000 2.338 193 R HA 0.573 4.913 4.340 0.000 0.000 0.317 193 R C -0.508 175.795 176.300 0.004 0.000 0.968 193 R CA -0.465 55.716 56.100 0.135 0.000 0.849 193 R CB 1.591 31.939 30.300 0.080 0.000 1.128 193 R HN 0.704 nan 8.270 nan 0.000 0.448 194 A N 2.370 125.087 122.820 -0.171 0.000 2.256 194 A HA 0.354 4.674 4.320 0.000 0.000 0.317 194 A C 0.153 177.636 177.584 -0.169 0.000 1.318 194 A CA -0.741 51.114 52.037 -0.303 0.000 0.894 194 A CB 0.082 18.595 19.000 -0.813 0.000 1.165 194 A HN 1.025 nan 8.150 nan 0.000 0.525 195 C N 1.329 120.607 119.300 -0.036 0.000 2.887 195 C HA 0.620 5.080 4.460 0.000 0.000 0.240 195 C C 0.929 175.954 174.990 0.058 0.000 1.872 195 C CA -0.583 58.431 59.018 -0.007 0.000 1.626 195 C CB -0.808 26.929 27.740 -0.005 0.000 3.115 195 C HN 0.954 nan 8.230 nan 0.000 0.488 196 G N 0.744 109.647 108.800 0.173 0.000 2.606 196 G HA2 0.365 4.325 3.960 0.000 0.000 0.252 196 G HA3 0.365 4.325 3.960 0.000 0.000 0.252 196 G C 0.738 175.669 174.900 0.052 0.000 1.206 196 G CA -0.541 44.634 45.100 0.124 0.000 0.861 196 G HN 0.582 nan 8.290 nan 0.000 0.561 197 R N -0.064 120.339 120.500 -0.162 0.000 2.127 197 R HA -0.073 4.267 4.340 0.000 0.000 0.238 197 R C 2.109 178.383 176.300 -0.044 0.000 1.134 197 R CA 1.337 57.346 56.100 -0.151 0.000 0.975 197 R CB -0.232 29.905 30.300 -0.270 0.000 0.865 197 R HN 0.679 nan 8.270 nan 0.000 0.447 198 F N -1.005 118.830 119.950 -0.193 0.000 2.365 198 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 198 F C 0.557 175.969 175.800 -0.646 0.000 1.090 198 F CA 0.097 57.769 58.000 -0.547 0.000 1.408 198 F CB 0.189 38.578 39.000 -1.018 0.000 1.060 198 F HN -0.039 nan 8.300 nan 0.000 0.534 199 F N 0.451 120.525 119.950 0.206 0.000 2.942 199 F HA 0.344 4.871 4.527 0.000 0.000 0.324 199 F C 0.042 175.880 175.800 0.065 0.000 1.265 199 F CA -0.332 57.745 58.000 0.127 0.000 1.255 199 F CB -0.246 38.788 39.000 0.056 0.000 1.048 199 F HN -0.150 nan 8.300 nan 0.000 0.512 208 Y N 6.405 126.634 120.300 -0.118 0.000 2.377 208 Y HA 0.396 4.946 4.550 -0.000 0.000 0.330 208 Y C 0.176 175.796 175.900 -0.467 0.000 1.108 208 Y CA 0.120 58.058 58.100 -0.270 0.000 1.308 208 Y CB 0.636 39.007 38.460 -0.148 0.000 1.216 208 Y HN 0.427 nan 8.280 nan 0.000 0.518 209 F N 2.215 121.567 119.950 -0.997 0.000 2.781 209 F HA 0.496 5.023 4.527 -0.000 0.000 0.322 209 F C 1.025 176.391 175.800 -0.723 0.000 1.108 209 F CA -0.409 57.089 58.000 -0.838 0.000 1.179 209 F CB 0.302 38.935 39.000 -0.611 0.000 1.072 209 F HN 0.685 nan 8.300 nan 0.000 0.545 210 G N 0.892 108.913 108.800 -1.299 0.000 2.141 210 G HA2 -0.310 3.650 3.960 0.000 0.000 0.242 210 G HA3 -0.310 3.650 3.960 0.000 0.000 0.242 210 G C 0.347 175.087 174.900 -0.266 0.000 0.982 210 G CA 0.199 44.934 45.100 -0.608 0.000 0.662 210 G HN 0.486 nan 8.290 nan 0.000 0.527 211 E N -2.097 117.810 120.200 -0.488 0.000 3.313 211 E HA -0.257 4.093 4.350 0.000 0.000 0.283 211 E C 0.537 177.274 176.600 0.227 0.000 0.941 211 E CA 1.399 57.683 56.400 -0.193 0.000 0.907 211 E CB -0.834 28.802 29.700 -0.106 0.000 1.458 211 E HN 0.695 nan 8.360 nan 0.000 0.463 212 L N -0.826 120.572 121.223 0.292 0.000 2.362 212 L HA 0.276 4.616 4.340 0.000 0.000 0.271 212 L C -1.652 175.332 176.870 0.189 0.000 1.002 212 L CA -2.279 52.703 54.840 0.237 0.000 0.818 212 L CB 1.475 43.626 42.059 0.153 0.000 1.298 212 L HN -0.264 nan 8.230 nan 0.000 0.420 213 P HA -0.222 nan 4.420 nan 0.000 0.216 213 P C 1.542 178.797 177.300 -0.074 0.000 1.157 213 P CA 0.987 63.976 63.100 -0.186 0.000 0.880 213 P CB 0.271 31.784 31.700 -0.313 0.000 0.791 214 L N -0.528 120.676 121.223 -0.031 0.000 1.989 214 L HA -0.187 4.153 4.340 0.000 0.000 0.211 214 L C 2.168 179.072 176.870 0.058 0.000 1.071 214 L CA 2.128 56.973 54.840 0.008 0.000 0.749 214 L CB -1.367 40.705 42.059 0.022 0.000 0.890 214 L HN -0.113 nan 8.230 nan 0.000 0.431 215 S N -0.651 115.102 115.700 0.090 0.000 2.383 215 S HA -0.148 4.323 4.470 0.000 0.000 0.227 215 S C 1.797 176.475 174.600 0.130 0.000 1.026 215 S CA 1.278 59.547 58.200 0.116 0.000 0.981 215 S CB -0.567 62.697 63.200 0.108 0.000 0.818 215 S HN 0.428 nan 8.310 nan 0.000 0.472 216 L N 2.221 123.505 121.223 0.102 0.000 2.042 216 L HA -0.045 4.295 4.340 0.000 0.000 0.210 216 L C 2.370 179.234 176.870 -0.011 0.000 1.076 216 L CA 1.898 56.677 54.840 -0.101 0.000 0.749 216 L CB -1.142 40.589 42.059 -0.546 0.000 0.893 216 L HN 0.247 nan 8.230 nan 0.000 0.432 217 A N -0.514 122.305 122.820 -0.002 0.000 1.883 217 A HA -0.139 4.181 4.320 0.000 0.000 0.217 217 A C 2.457 180.110 177.584 0.116 0.000 1.186 217 A CA 2.080 54.139 52.037 0.038 0.000 0.624 217 A CB -1.237 17.777 19.000 0.023 0.000 0.822 217 A HN 0.593 nan 8.150 nan 0.000 0.444 218 A N -1.117 121.789 122.820 0.144 0.000 1.877 218 A HA -0.167 4.153 4.320 0.000 0.000 0.216 218 A C 2.279 179.981 177.584 0.197 0.000 1.186 218 A CA 1.662 53.815 52.037 0.194 0.000 0.620 218 A CB -1.289 17.825 19.000 0.190 0.000 0.822 218 A HN 0.608 nan 8.150 nan 0.000 0.443 219 C N -0.258 119.170 119.300 0.213 0.000 2.419 219 C HA -0.036 4.424 4.460 0.000 0.000 0.281 219 C C 2.707 177.914 174.990 0.361 0.000 1.336 219 C CA 1.525 60.723 59.018 0.300 0.000 1.770 219 C CB -1.342 26.591 27.740 0.322 0.000 1.929 219 C HN 0.777 nan 8.230 nan 0.000 0.509 220 T N -3.079 111.635 114.554 0.267 0.000 3.122 220 T HA 0.109 4.459 4.350 0.000 0.000 0.250 220 T C 0.641 175.409 174.700 0.113 0.000 1.067 220 T CA 0.176 62.371 62.100 0.158 0.000 0.966 220 T CB -0.110 68.810 68.868 0.086 0.000 1.002 220 T HN 0.424 nan 8.240 nan 0.000 0.542 221 K N 0.465 120.952 120.400 0.146 0.000 3.281 221 K HA -0.179 4.141 4.320 0.000 0.000 0.295 221 K C -0.424 176.269 176.600 0.156 0.000 1.233 221 K CA 0.696 57.067 56.287 0.140 0.000 0.866 221 K CB -2.570 29.988 32.500 0.097 0.000 1.265 221 K HN 0.664 nan 8.250 nan 0.000 0.482 222 Q N 0.083 119.976 119.800 0.154 0.000 3.006 222 Q HA 0.118 4.458 4.340 0.000 0.000 0.260 222 Q C 0.983 177.109 176.000 0.211 0.000 1.356 222 Q CA -0.377 55.511 55.803 0.141 0.000 1.070 222 Q CB 0.017 28.797 28.738 0.070 0.000 1.507 222 Q HN 0.387 nan 8.270 nan 0.000 0.568 223 W N 3.281 124.613 121.300 0.054 0.000 2.331 223 W HA -0.240 4.420 4.660 -0.000 0.000 0.291 223 W C 0.889 177.446 176.519 0.062 0.000 1.214 223 W CA 1.881 59.268 57.345 0.070 0.000 1.228 223 W CB 0.326 29.849 29.460 0.104 0.000 1.135 223 W HN 0.629 nan 8.180 nan 0.000 0.537 224 D N 0.318 120.744 120.400 0.042 0.000 2.097 224 D HA -0.212 4.428 4.640 0.000 0.000 0.195 224 D C 2.058 178.312 176.300 -0.076 0.000 0.989 224 D CA 1.699 55.657 54.000 -0.071 0.000 0.827 224 D CB -1.091 39.703 40.800 -0.011 0.000 0.966 224 D HN 0.156 nan 8.370 nan 0.000 0.456 225 V N 0.986 120.886 119.914 -0.024 0.000 2.427 225 V HA -0.194 3.926 4.120 0.000 0.000 0.248 225 V C 2.981 179.067 176.094 -0.012 0.000 1.051 225 V CA 1.058 63.357 62.300 -0.001 0.000 1.048 225 V CB -0.368 31.452 31.823 -0.005 0.000 0.666 225 V HN 0.091 nan 8.190 nan 0.000 0.456 226 V N 1.172 121.053 119.914 -0.054 0.000 2.255 226 V HA -0.302 3.818 4.120 0.000 0.000 0.247 226 V C 2.856 178.796 176.094 -0.257 0.000 1.051 226 V CA 2.824 65.063 62.300 -0.103 0.000 1.018 226 V CB -1.253 30.573 31.823 0.005 0.000 0.641 226 V HN 0.830 nan 8.190 nan 0.000 0.445 227 T N -2.247 112.024 114.554 -0.470 0.000 2.857 227 T HA -0.254 4.096 4.350 0.000 0.000 0.266 227 T C 1.859 176.423 174.700 -0.226 0.000 1.048 227 T CA 1.701 63.520 62.100 -0.469 0.000 1.139 227 T CB -0.647 67.830 68.868 -0.651 0.000 0.874 227 T HN 0.478 nan 8.240 nan 0.000 0.455 228 Y N 2.249 122.412 120.300 -0.229 0.000 2.128 228 Y HA -0.049 4.501 4.550 0.000 0.000 0.284 228 Y C 2.134 177.958 175.900 -0.127 0.000 1.154 228 Y CA 1.276 59.288 58.100 -0.147 0.000 1.149 228 Y CB -0.577 37.816 38.460 -0.112 0.000 0.976 228 Y HN 0.161 nan 8.280 nan 0.000 0.505 229 L N -0.541 120.617 121.223 -0.109 0.000 2.079 229 L HA -0.265 4.075 4.340 0.000 0.000 0.210 229 L C 2.407 179.137 176.870 -0.233 0.000 1.081 229 L CA 1.361 56.093 54.840 -0.179 0.000 0.752 229 L CB -0.577 41.431 42.059 -0.085 0.000 0.896 229 L HN 0.321 nan 8.230 nan 0.000 0.433 230 L N -1.032 120.070 121.223 -0.201 0.000 2.179 230 L HA -0.122 4.218 4.340 0.000 0.000 0.208 230 L C 2.111 178.865 176.870 -0.193 0.000 1.096 230 L CA 1.098 55.838 54.840 -0.167 0.000 0.779 230 L CB -0.186 41.787 42.059 -0.143 0.000 0.922 230 L HN 0.268 nan 8.230 nan 0.000 0.443 231 E N -0.447 119.602 120.200 -0.251 0.000 2.447 231 E HA 0.023 4.373 4.350 0.000 0.000 0.204 231 E C 0.277 176.697 176.600 -0.299 0.000 0.977 231 E CA -0.307 55.956 56.400 -0.229 0.000 0.950 231 E CB 0.224 29.814 29.700 -0.184 0.000 0.975 231 E HN 0.510 nan 8.360 nan 0.000 0.496 232 N N 2.747 121.153 118.700 -0.491 0.000 2.416 232 N HA -0.011 4.729 4.740 0.000 0.000 0.246 232 N C -1.780 173.495 175.510 -0.392 0.000 1.260 232 N CA -0.626 52.085 53.050 -0.565 0.000 0.897 232 N CB 1.124 39.008 38.487 -1.006 0.000 1.110 232 N HN -0.155 nan 8.380 nan 0.000 0.439 233 P HA -0.002 nan 4.420 nan 0.000 0.245 233 P C 0.503 177.555 177.300 -0.413 0.000 1.206 233 P CA 0.906 63.754 63.100 -0.419 0.000 0.781 233 P CB 0.091 31.523 31.700 -0.447 0.000 0.994 234 H N -0.331 118.672 119.070 -0.112 0.000 2.388 234 H HA 0.224 4.780 4.556 0.000 0.000 0.304 234 H C 0.805 176.086 175.328 -0.078 0.000 1.049 234 H CA 0.681 56.685 56.048 -0.074 0.000 1.371 234 H CB 0.401 30.134 29.762 -0.049 0.000 1.436 234 H HN 0.215 nan 8.280 nan 0.000 0.544 235 Q N 1.381 121.184 119.800 0.005 0.000 2.709 235 Q HA 0.231 4.571 4.340 0.000 0.000 0.232 235 Q C -2.912 173.021 176.000 -0.113 0.000 0.856 235 Q CA -1.928 53.847 55.803 -0.047 0.000 0.788 235 Q CB 2.487 31.203 28.738 -0.036 0.000 1.386 235 Q HN 0.045 nan 8.270 nan 0.000 0.453 236 P HA 0.110 nan 4.420 nan 0.000 0.271 236 P C -0.731 176.516 177.300 -0.089 0.000 1.216 236 P CA 0.070 63.095 63.100 -0.124 0.000 0.771 236 P CB 1.071 32.716 31.700 -0.091 0.000 0.864 237 A N 3.115 125.855 122.820 -0.133 0.000 2.371 237 A HA 0.341 4.661 4.320 0.000 0.000 0.257 237 A C 0.614 178.264 177.584 0.110 0.000 1.089 237 A CA -0.216 51.760 52.037 -0.102 0.000 0.794 237 A CB -0.087 18.823 19.000 -0.149 0.000 1.029 237 A HN 0.521 nan 8.150 nan 0.000 0.488 238 S N 2.061 117.990 115.700 0.381 0.000 2.452 238 S HA 0.305 4.775 4.470 0.000 0.000 0.284 238 S C 1.009 175.674 174.600 0.108 0.000 1.171 238 S CA -0.685 57.616 58.200 0.169 0.000 1.064 238 S CB -0.013 63.218 63.200 0.052 0.000 0.967 238 S HN 0.605 nan 8.310 nan 0.000 0.484 239 L N 3.958 125.210 121.223 0.049 0.000 2.187 239 L HA -0.105 4.235 4.340 0.000 0.000 0.213 239 L C 1.792 178.679 176.870 0.028 0.000 1.100 239 L CA 1.457 56.316 54.840 0.032 0.000 0.765 239 L CB -0.206 41.858 42.059 0.007 0.000 0.904 239 L HN 0.718 nan 8.230 nan 0.000 0.437 240 E N -0.175 120.036 120.200 0.018 0.000 2.489 240 E HA 0.141 4.491 4.350 0.000 0.000 0.193 240 E C 0.643 177.249 176.600 0.011 0.000 1.057 240 E CA 0.102 56.508 56.400 0.011 0.000 0.866 240 E CB 0.079 29.777 29.700 -0.004 0.000 0.916 240 E HN 0.365 nan 8.360 nan 0.000 0.500 241 A N 1.546 124.377 122.820 0.018 0.000 2.445 241 A HA 0.349 4.669 4.320 0.000 0.000 0.242 241 A C 0.565 178.168 177.584 0.032 0.000 1.075 241 A CA -0.052 51.989 52.037 0.005 0.000 0.777 241 A CB 0.101 19.116 19.000 0.026 0.000 1.013 241 A HN 0.177 nan 8.150 nan 0.000 0.493 242 T N -0.257 114.307 114.554 0.016 0.000 2.908 242 T HA 0.607 4.957 4.350 0.000 0.000 0.290 242 T C -0.387 174.324 174.700 0.019 0.000 1.034 242 T CA -0.435 61.670 62.100 0.007 0.000 1.010 242 T CB 1.510 70.355 68.868 -0.039 0.000 1.068 242 T HN 0.741 nan 8.240 nan 0.000 0.481 243 D N 0.565 120.975 120.400 0.017 0.000 2.478 243 D HA 0.212 4.852 4.640 0.000 0.000 0.274 243 D C 1.672 178.002 176.300 0.051 0.000 1.234 243 D CA -0.183 53.840 54.000 0.038 0.000 1.069 243 D CB 0.096 40.919 40.800 0.039 0.000 1.113 243 D HN 0.542 nan 8.370 nan 0.000 0.571 244 S N -1.147 114.598 115.700 0.075 0.000 2.442 244 S HA -0.117 4.353 4.470 0.000 0.000 0.236 244 S C 1.792 176.493 174.600 0.168 0.000 1.007 244 S CA 0.544 58.807 58.200 0.106 0.000 0.965 244 S CB -0.680 62.563 63.200 0.071 0.000 0.773 244 S HN 0.511 nan 8.310 nan 0.000 0.504 245 L N 0.789 122.068 121.223 0.094 0.000 2.592 245 L HA 0.367 4.707 4.340 0.000 0.000 0.227 245 L C 1.743 178.450 176.870 -0.272 0.000 1.127 245 L CA 0.278 55.153 54.840 0.058 0.000 0.884 245 L CB -0.484 41.570 42.059 -0.009 0.000 1.065 245 L HN 0.556 nan 8.230 nan 0.000 0.457 246 G N 0.059 108.571 108.800 -0.480 0.000 2.143 246 G HA2 -0.248 3.712 3.960 0.000 0.000 0.249 246 G HA3 -0.248 3.712 3.960 0.000 0.000 0.249 246 G C 0.010 174.649 174.900 -0.434 0.000 0.981 246 G CA -0.296 44.332 45.100 -0.786 0.000 0.665 246 G HN 0.355 nan 8.290 nan 0.000 0.528 247 N N 1.498 120.039 118.700 -0.265 0.000 2.444 247 N HA 0.479 5.219 4.740 0.000 0.000 0.271 247 N C 0.922 176.458 175.510 0.044 0.000 1.069 247 N CA 0.700 53.630 53.050 -0.201 0.000 0.965 247 N CB 1.388 39.879 38.487 0.007 0.000 1.092 247 N HN 0.605 nan 8.380 nan 0.000 0.476 248 T N -2.211 112.506 114.554 0.272 0.000 2.810 248 T HA 0.124 4.474 4.350 0.000 0.000 0.277 248 T C 1.463 176.274 174.700 0.186 0.000 0.973 248 T CA -0.682 61.543 62.100 0.208 0.000 0.949 248 T CB 0.587 69.573 68.868 0.197 0.000 1.075 248 T HN 0.107 nan 8.240 nan 0.000 0.537 249 V N 0.736 120.722 119.914 0.120 0.000 2.453 249 V HA -0.103 4.017 4.120 0.000 0.000 0.252 249 V C 2.309 178.469 176.094 0.110 0.000 1.068 249 V CA 1.804 64.170 62.300 0.110 0.000 1.070 249 V CB -1.129 30.750 31.823 0.092 0.000 0.664 249 V HN 0.778 nan 8.190 nan 0.000 0.461 250 L N -0.892 120.366 121.223 0.057 0.000 2.027 250 L HA -0.129 4.211 4.340 0.000 0.000 0.206 250 L C 2.659 179.581 176.870 0.087 0.000 1.074 250 L CA 1.878 56.732 54.840 0.024 0.000 0.745 250 L CB -1.185 40.794 42.059 -0.134 0.000 0.898 250 L HN 0.412 nan 8.230 nan 0.000 0.433 251 H N 0.180 119.331 119.070 0.135 0.000 2.319 251 H HA -0.177 4.379 4.556 0.000 0.000 0.297 251 H C 2.323 177.743 175.328 0.153 0.000 1.097 251 H CA 1.692 57.824 56.048 0.139 0.000 1.285 251 H CB -0.172 29.655 29.762 0.109 0.000 1.368 251 H HN 0.390 nan 8.280 nan 0.000 0.495 252 A N 1.316 124.293 122.820 0.263 0.000 1.902 252 A HA -0.126 4.194 4.320 0.000 0.000 0.217 252 A C 2.786 180.482 177.584 0.185 0.000 1.181 252 A CA 1.109 53.261 52.037 0.191 0.000 0.623 252 A CB -0.945 18.117 19.000 0.103 0.000 0.818 252 A HN 0.265 nan 8.150 nan 0.000 0.443 253 L N -0.495 120.837 121.223 0.182 0.000 2.012 253 L HA -0.211 4.129 4.340 0.000 0.000 0.210 253 L C 2.588 179.560 176.870 0.170 0.000 1.073 253 L CA 1.438 56.386 54.840 0.179 0.000 0.748 253 L CB -0.576 41.601 42.059 0.197 0.000 0.891 253 L HN 0.279 nan 8.230 nan 0.000 0.431 254 V N -0.561 119.459 119.914 0.176 0.000 2.287 254 V HA -0.343 3.777 4.120 0.000 0.000 0.248 254 V C 2.598 178.783 176.094 0.152 0.000 1.053 254 V CA 1.692 64.080 62.300 0.147 0.000 1.027 254 V CB -0.468 31.444 31.823 0.148 0.000 0.646 254 V HN 0.394 nan 8.190 nan 0.000 0.447 255 M N 0.146 119.855 119.600 0.182 0.000 2.149 255 M HA -0.134 4.346 4.480 0.000 0.000 0.261 255 M C 2.242 178.651 176.300 0.181 0.000 1.064 255 M CA 1.967 57.378 55.300 0.186 0.000 1.102 255 M CB -1.067 31.678 32.600 0.243 0.000 1.369 255 M HN 0.604 nan 8.290 nan 0.000 0.408 256 I N -1.667 119.017 120.570 0.191 0.000 3.428 256 I HA 0.277 4.447 4.170 0.000 0.000 0.286 256 I C 1.113 177.323 176.117 0.156 0.000 1.287 256 I CA -0.362 61.061 61.300 0.205 0.000 1.396 256 I CB -1.074 37.084 38.000 0.263 0.000 1.062 256 I HN -0.026 nan 8.210 nan 0.000 0.471 257 A N 2.296 125.192 122.820 0.126 0.000 2.466 257 A HA 0.290 4.610 4.320 0.000 0.000 0.238 257 A C 0.739 178.373 177.584 0.084 0.000 1.074 257 A CA 0.587 52.679 52.037 0.092 0.000 0.774 257 A CB -0.046 18.998 19.000 0.074 0.000 1.015 257 A HN 0.636 nan 8.150 nan 0.000 0.498 258 D N -1.249 119.189 120.400 0.065 0.000 2.516 258 D HA 0.046 4.686 4.640 0.000 0.000 0.241 258 D C 0.208 176.533 176.300 0.041 0.000 1.246 258 D CA 0.230 54.264 54.000 0.057 0.000 0.808 258 D CB -0.191 40.646 40.800 0.061 0.000 1.147 258 D HN 0.505 nan 8.370 nan 0.000 0.527 259 N N -0.093 118.629 118.700 0.036 0.000 2.965 259 N HA -0.154 4.586 4.740 0.000 0.000 0.232 259 N C -0.271 175.252 175.510 0.021 0.000 0.913 259 N CA 1.137 54.204 53.050 0.028 0.000 0.981 259 N CB -1.978 36.526 38.487 0.028 0.000 1.077 259 N HN 0.565 nan 8.380 nan 0.000 0.589 260 S N 0.578 116.290 115.700 0.020 0.000 2.576 260 S HA 0.373 4.843 4.470 0.000 0.000 0.276 260 S C -0.756 173.849 174.600 0.008 0.000 1.339 260 S CA -0.794 57.415 58.200 0.014 0.000 1.039 260 S CB 2.055 65.264 63.200 0.015 0.000 0.902 260 S HN -0.082 nan 8.310 nan 0.000 0.516 261 P HA -0.224 nan 4.420 nan 0.000 0.216 261 P C 1.357 178.651 177.300 -0.009 0.000 1.157 261 P CA 1.568 64.666 63.100 -0.003 0.000 0.880 261 P CB -0.070 31.628 31.700 -0.003 0.000 0.791 262 E N 0.505 120.701 120.200 -0.006 0.000 2.031 262 E HA -0.230 4.120 4.350 0.000 0.000 0.193 262 E C 1.958 178.554 176.600 -0.008 0.000 0.994 262 E CA 1.493 57.887 56.400 -0.009 0.000 0.800 262 E CB -1.648 28.050 29.700 -0.004 0.000 0.752 262 E HN 0.373 nan 8.360 nan 0.000 0.447 263 N N 0.908 119.610 118.700 0.004 0.000 2.084 263 N HA -0.143 4.597 4.740 0.000 0.000 0.190 263 N C 1.944 177.455 175.510 0.002 0.000 1.030 263 N CA 2.016 55.074 53.050 0.013 0.000 0.849 263 N CB 0.017 38.522 38.487 0.029 0.000 1.012 263 N HN -0.018 nan 8.380 nan 0.000 0.423 264 S N -0.052 115.644 115.700 -0.006 0.000 2.359 264 S HA -0.133 4.337 4.470 0.000 0.000 0.224 264 S C 2.066 176.633 174.600 -0.055 0.000 1.035 264 S CA 1.095 59.279 58.200 -0.026 0.000 1.018 264 S CB -0.698 62.490 63.200 -0.020 0.000 0.876 264 S HN 0.614 nan 8.310 nan 0.000 0.448 265 A N 1.268 124.059 122.820 -0.048 0.000 1.892 265 A HA -0.124 4.196 4.320 0.000 0.000 0.218 265 A C 2.154 179.701 177.584 -0.062 0.000 1.188 265 A CA 1.724 53.724 52.037 -0.060 0.000 0.631 265 A CB -0.757 18.213 19.000 -0.051 0.000 0.822 265 A HN 0.430 nan 8.150 nan 0.000 0.447 266 L N -0.361 120.832 121.223 -0.051 0.000 2.072 266 L HA -0.030 4.310 4.340 0.000 0.000 0.205 266 L C 2.387 179.229 176.870 -0.047 0.000 1.079 266 L CA 1.678 56.488 54.840 -0.051 0.000 0.752 266 L CB -0.525 41.515 42.059 -0.031 0.000 0.906 266 L HN 0.140 nan 8.230 nan 0.000 0.436 267 V N 0.031 119.928 119.914 -0.029 0.000 2.287 267 V HA -0.330 3.790 4.120 0.000 0.000 0.248 267 V C 2.536 178.599 176.094 -0.051 0.000 1.053 267 V CA 2.369 64.662 62.300 -0.011 0.000 1.027 267 V CB -0.511 31.322 31.823 0.016 0.000 0.646 267 V HN 0.416 nan 8.190 nan 0.000 0.447 268 I N -0.523 119.970 120.570 -0.130 0.000 2.226 268 I HA -0.305 3.865 4.170 0.000 0.000 0.245 268 I C 2.510 178.504 176.117 -0.205 0.000 1.100 268 I CA 2.134 63.269 61.300 -0.275 0.000 1.374 268 I CB -0.520 37.188 38.000 -0.487 0.000 1.057 268 I HN 0.436 nan 8.210 nan 0.000 0.413 269 H N 0.971 119.886 119.070 -0.258 0.000 2.290 269 H HA -0.200 4.356 4.556 0.000 0.000 0.298 269 H C 2.332 177.364 175.328 -0.492 0.000 1.087 269 H CA 2.084 57.944 56.048 -0.312 0.000 1.291 269 H CB -0.017 29.560 29.762 -0.307 0.000 1.369 269 H HN 0.137 nan 8.280 nan 0.000 0.492 270 M N -0.966 118.308 119.600 -0.544 0.000 2.108 270 M HA -0.211 4.269 4.480 0.000 0.000 0.261 270 M C 2.096 178.169 176.300 -0.379 0.000 1.066 270 M CA 1.884 56.712 55.300 -0.788 0.000 1.107 270 M CB -0.531 31.867 32.600 -0.337 0.000 1.356 270 M HN 0.380 nan 8.290 nan 0.000 0.406 271 Y N 1.644 121.795 120.300 -0.248 0.000 2.097 271 Y HA -0.306 4.244 4.550 0.000 0.000 0.282 271 Y C 2.037 177.880 175.900 -0.094 0.000 1.152 271 Y CA 2.012 60.048 58.100 -0.106 0.000 1.136 271 Y CB -0.205 38.225 38.460 -0.051 0.000 0.975 271 Y HN 0.235 nan 8.280 nan 0.000 0.498 272 D N -0.533 119.919 120.400 0.087 0.000 2.144 272 D HA -0.131 4.510 4.640 0.000 0.000 0.199 272 D C 2.312 178.552 176.300 -0.100 0.000 0.984 272 D CA 1.381 55.402 54.000 0.035 0.000 0.834 272 D CB -0.887 39.942 40.800 0.048 0.000 0.955 272 D HN 0.554 nan 8.370 nan 0.000 0.465 273 G N 0.739 109.387 108.800 -0.253 0.000 2.418 273 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 273 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 273 G C 1.778 176.771 174.900 0.155 0.000 1.158 273 G CA 0.335 45.383 45.100 -0.087 0.000 0.771 273 G HN 0.253 nan 8.290 nan 0.000 0.545 274 L N -0.042 121.245 121.223 0.107 0.000 2.046 274 L HA 0.003 4.343 4.340 0.000 0.000 0.208 274 L C 2.905 179.758 176.870 -0.028 0.000 1.077 274 L CA 0.563 55.459 54.840 0.094 0.000 0.747 274 L CB -0.376 41.699 42.059 0.027 0.000 0.896 274 L HN 0.176 nan 8.230 nan 0.000 0.432 275 L N -0.687 120.466 121.223 -0.116 0.000 2.083 275 L HA -0.245 4.095 4.340 0.000 0.000 0.209 275 L C 2.705 179.551 176.870 -0.040 0.000 1.083 275 L CA 1.281 56.056 54.840 -0.108 0.000 0.752 275 L CB -0.536 41.445 42.059 -0.130 0.000 0.899 275 L HN 0.415 nan 8.230 nan 0.000 0.433 276 Q N 0.315 120.108 119.800 -0.012 0.000 2.016 276 Q HA -0.218 4.122 4.340 0.000 0.000 0.200 276 Q C 2.376 178.385 176.000 0.015 0.000 0.978 276 Q CA 1.560 57.367 55.803 0.008 0.000 0.833 276 Q CB -0.037 28.714 28.738 0.022 0.000 0.895 276 Q HN 0.455 nan 8.270 nan 0.000 0.427 277 M N -0.254 119.368 119.600 0.036 0.000 2.149 277 M HA -0.132 4.348 4.480 0.000 0.000 0.261 277 M C 2.139 178.438 176.300 -0.002 0.000 1.064 277 M CA 1.480 56.794 55.300 0.022 0.000 1.102 277 M CB -0.486 32.136 32.600 0.038 0.000 1.369 277 M HN 0.412 nan 8.290 nan 0.000 0.408 278 G N 0.021 108.816 108.800 -0.009 0.000 2.432 278 G HA2 -0.129 3.831 3.960 0.000 0.000 0.219 278 G HA3 -0.129 3.831 3.960 0.000 0.000 0.219 278 G C 1.621 176.509 174.900 -0.020 0.000 1.135 278 G CA 0.944 46.032 45.100 -0.021 0.000 0.767 278 G HN 0.556 nan 8.290 nan 0.000 0.550 279 A N 0.443 123.253 122.820 -0.017 0.000 1.978 279 A HA -0.024 4.296 4.320 0.000 0.000 0.220 279 A C 2.295 179.870 177.584 -0.014 0.000 1.170 279 A CA 1.888 53.916 52.037 -0.015 0.000 0.636 279 A CB -0.326 18.667 19.000 -0.011 0.000 0.810 279 A HN 0.411 nan 8.150 nan 0.000 0.448 280 R N -0.799 119.694 120.500 -0.013 0.000 2.105 280 R HA 0.196 4.536 4.340 0.000 0.000 0.214 280 R C 1.738 178.026 176.300 -0.020 0.000 1.091 280 R CA 0.767 56.858 56.100 -0.016 0.000 1.007 280 R CB -0.192 30.099 30.300 -0.015 0.000 0.912 280 R HN 0.468 nan 8.270 nan 0.000 0.450 281 L N 0.220 121.431 121.223 -0.021 0.000 2.270 281 L HA 0.092 4.432 4.340 0.000 0.000 0.210 281 L C 0.706 177.563 176.870 -0.020 0.000 1.104 281 L CA 0.125 54.951 54.840 -0.024 0.000 0.804 281 L CB 0.512 42.555 42.059 -0.027 0.000 0.937 281 L HN 0.401 nan 8.230 nan 0.000 0.450 282 C N -3.873 115.416 119.300 -0.019 0.000 3.482 282 C HA 0.360 4.820 4.460 0.000 0.000 0.208 282 C C -1.276 173.703 174.990 -0.018 0.000 1.306 282 C CA -1.453 57.554 59.018 -0.017 0.000 1.254 282 C CB -0.273 27.457 27.740 -0.016 0.000 1.832 282 C HN 0.018 nan 8.230 nan 0.000 0.554 283 P HA -0.157 nan 4.420 nan 0.000 0.217 283 P C 1.518 178.808 177.300 -0.017 0.000 1.148 283 P CA 2.496 65.586 63.100 -0.017 0.000 0.828 283 P CB -0.079 31.612 31.700 -0.015 0.000 0.783 284 T N -3.755 110.790 114.554 -0.015 0.000 3.129 284 T HA 0.141 4.492 4.350 0.000 0.000 0.251 284 T C 0.608 175.300 174.700 -0.015 0.000 1.117 284 T CA -0.135 61.957 62.100 -0.014 0.000 1.034 284 T CB -0.642 68.219 68.868 -0.012 0.000 0.968 284 T HN -0.183 nan 8.240 nan 0.000 0.526 285 V N 2.160 122.064 119.914 -0.016 0.000 2.370 285 V HA 0.327 4.447 4.120 0.000 0.000 0.283 285 V C -0.072 176.010 176.094 -0.021 0.000 1.023 285 V CA -0.865 61.425 62.300 -0.016 0.000 0.857 285 V CB 1.451 33.266 31.823 -0.015 0.000 0.985 285 V HN 0.404 nan 8.190 nan 0.000 0.443 286 Q N 4.306 124.094 119.800 -0.020 0.000 2.472 286 Q HA 0.307 4.647 4.340 0.000 0.000 0.227 286 Q C 0.930 176.913 176.000 -0.027 0.000 1.156 286 Q CA -0.225 55.562 55.803 -0.026 0.000 0.924 286 Q CB 0.763 29.487 28.738 -0.024 0.000 1.354 286 Q HN 0.697 nan 8.270 nan 0.000 0.525 287 L N 1.820 123.018 121.223 -0.042 0.000 2.012 287 L HA -0.262 4.078 4.340 0.000 0.000 0.210 287 L C 2.520 179.356 176.870 -0.057 0.000 1.073 287 L CA 1.333 56.142 54.840 -0.052 0.000 0.748 287 L CB -0.421 41.585 42.059 -0.088 0.000 0.891 287 L HN 0.648 nan 8.230 nan 0.000 0.431 288 E N 0.066 120.228 120.200 -0.064 0.000 2.409 288 E HA -0.215 4.135 4.350 0.000 0.000 0.198 288 E C 1.063 177.660 176.600 -0.006 0.000 1.024 288 E CA 1.049 57.432 56.400 -0.028 0.000 0.861 288 E CB -0.155 29.558 29.700 0.021 0.000 0.788 288 E HN 0.483 nan 8.360 nan 0.000 0.521 289 E N 0.694 120.891 120.200 -0.005 0.000 2.474 289 E HA 0.234 4.584 4.350 0.000 0.000 0.195 289 E C 0.426 177.051 176.600 0.041 0.000 1.039 289 E CA -0.225 56.183 56.400 0.013 0.000 0.881 289 E CB 0.148 29.847 29.700 -0.001 0.000 0.970 289 E HN 0.396 nan 8.360 nan 0.000 0.486 290 I N 2.371 122.973 120.570 0.054 0.000 2.452 290 I HA -0.009 4.161 4.170 0.000 0.000 0.287 290 I C 0.663 176.900 176.117 0.200 0.000 1.079 290 I CA -0.140 61.221 61.300 0.103 0.000 1.387 290 I CB 0.539 38.601 38.000 0.103 0.000 1.404 290 I HN -0.126 nan 8.210 nan 0.000 0.522 291 S N 5.393 121.178 115.700 0.143 0.000 2.565 291 S HA 0.407 4.877 4.470 0.000 0.000 0.290 291 S C -0.281 174.321 174.600 0.004 0.000 1.150 291 S CA -1.026 57.263 58.200 0.150 0.000 1.058 291 S CB 1.493 64.756 63.200 0.104 0.000 1.032 291 S HN 0.775 nan 8.310 nan 0.000 0.510 292 N N 0.777 119.388 118.700 -0.148 0.000 2.328 292 N HA 0.146 4.886 4.740 0.000 0.000 0.277 292 N C 0.357 175.763 175.510 -0.173 0.000 1.286 292 N CA -0.778 52.056 53.050 -0.360 0.000 0.949 292 N CB 0.067 38.220 38.487 -0.557 0.000 1.136 292 N HN 0.793 nan 8.380 nan 0.000 0.550 293 H N -1.642 117.381 119.070 -0.077 0.000 2.555 293 H HA 0.011 4.567 4.556 0.000 0.000 0.269 293 H C 0.944 176.252 175.328 -0.033 0.000 0.988 293 H CA 0.315 56.338 56.048 -0.043 0.000 1.178 293 H CB 0.258 29.995 29.762 -0.040 0.000 1.373 293 H HN 0.560 nan 8.280 nan 0.000 0.588 294 Q N -0.072 119.759 119.800 0.052 0.000 2.403 294 Q HA 0.093 4.433 4.340 0.000 0.000 0.203 294 Q C 0.949 176.972 176.000 0.039 0.000 0.932 294 Q CA 0.305 56.129 55.803 0.034 0.000 0.945 294 Q CB 0.914 29.658 28.738 0.011 0.000 1.045 294 Q HN 0.637 nan 8.270 nan 0.000 0.511 295 G N 0.969 109.797 108.800 0.046 0.000 2.147 295 G HA2 -0.258 3.702 3.960 0.000 0.000 0.244 295 G HA3 -0.258 3.702 3.960 0.000 0.000 0.244 295 G C -0.208 174.734 174.900 0.070 0.000 1.005 295 G CA -0.117 45.016 45.100 0.055 0.000 0.713 295 G HN 0.255 nan 8.290 nan 0.000 0.515 296 L N 1.636 122.906 121.223 0.079 0.000 2.313 296 L HA 0.572 4.912 4.340 0.000 0.000 0.283 296 L C 1.178 178.206 176.870 0.264 0.000 1.013 296 L CA -0.548 54.374 54.840 0.137 0.000 0.816 296 L CB 1.702 43.837 42.059 0.127 0.000 1.236 296 L HN 0.326 nan 8.230 nan 0.000 0.419 297 T N -0.598 114.086 114.554 0.216 0.000 2.788 297 T HA 0.235 4.585 4.350 0.000 0.000 0.287 297 T C -1.925 172.852 174.700 0.129 0.000 1.007 297 T CA -1.593 60.622 62.100 0.191 0.000 1.005 297 T CB 1.031 69.958 68.868 0.098 0.000 1.012 297 T HN 0.303 nan 8.240 nan 0.000 0.530 298 P HA -0.094 nan 4.420 nan 0.000 0.216 298 P C 1.725 179.072 177.300 0.079 0.000 1.153 298 P CA 0.408 63.462 63.100 -0.077 0.000 0.858 298 P CB -0.098 31.586 31.700 -0.026 0.000 0.789 299 L N 0.096 121.368 121.223 0.082 0.000 1.989 299 L HA -0.183 4.157 4.340 0.000 0.000 0.211 299 L C 1.998 179.012 176.870 0.239 0.000 1.071 299 L CA 2.101 57.009 54.840 0.114 0.000 0.749 299 L CB -1.103 40.987 42.059 0.052 0.000 0.890 299 L HN -0.170 nan 8.230 nan 0.000 0.431 300 K N -0.983 119.532 120.400 0.191 0.000 2.097 300 K HA -0.143 4.177 4.320 0.000 0.000 0.205 300 K C 2.033 178.729 176.600 0.159 0.000 1.050 300 K CA 1.352 57.750 56.287 0.186 0.000 0.938 300 K CB -0.401 32.185 32.500 0.143 0.000 0.718 300 K HN 0.246 nan 8.250 nan 0.000 0.442 301 L N 1.283 122.607 121.223 0.168 0.000 2.046 301 L HA -0.151 4.190 4.340 0.000 0.000 0.208 301 L C 2.206 179.157 176.870 0.135 0.000 1.077 301 L CA 1.762 56.697 54.840 0.158 0.000 0.747 301 L CB -0.608 41.587 42.059 0.226 0.000 0.896 301 L HN 0.122 nan 8.230 nan 0.000 0.432 302 A N -0.711 122.208 122.820 0.166 0.000 1.933 302 A HA -0.088 4.232 4.320 0.000 0.000 0.218 302 A C 2.424 180.066 177.584 0.098 0.000 1.175 302 A CA 1.743 53.880 52.037 0.166 0.000 0.628 302 A CB -1.047 18.092 19.000 0.232 0.000 0.814 302 A HN 0.577 nan 8.150 nan 0.000 0.444 303 A N -0.080 122.783 122.820 0.071 0.000 1.855 303 A HA -0.128 4.192 4.320 0.000 0.000 0.215 303 A C 2.134 179.645 177.584 -0.121 0.000 1.191 303 A CA 1.894 53.793 52.037 -0.229 0.000 0.613 303 A CB -0.510 18.347 19.000 -0.238 0.000 0.829 303 A HN 0.538 nan 8.150 nan 0.000 0.442 304 K N -0.392 119.994 120.400 -0.024 0.000 2.044 304 K HA -0.192 4.128 4.320 0.000 0.000 0.210 304 K C 1.210 177.805 176.600 -0.009 0.000 1.049 304 K CA 1.735 58.016 56.287 -0.010 0.000 0.927 304 K CB -0.119 32.394 32.500 0.023 0.000 0.713 304 K HN 0.345 nan 8.250 nan 0.000 0.443 305 E N -0.553 119.656 120.200 0.014 0.000 2.502 305 E HA 0.021 4.371 4.350 0.000 0.000 0.194 305 E C 0.753 177.359 176.600 0.010 0.000 1.062 305 E CA 0.735 57.149 56.400 0.023 0.000 0.867 305 E CB 0.415 30.147 29.700 0.055 0.000 0.888 305 E HN 0.626 nan 8.360 nan 0.000 0.510 306 G N 2.475 111.261 108.800 -0.023 0.000 2.198 306 G HA2 -0.274 3.686 3.960 0.000 0.000 0.260 306 G HA3 -0.274 3.686 3.960 0.000 0.000 0.260 306 G C 0.161 175.059 174.900 -0.003 0.000 1.025 306 G CA 0.112 45.191 45.100 -0.034 0.000 0.769 306 G HN 0.045 nan 8.290 nan 0.000 0.507 307 K N 0.602 121.018 120.400 0.026 0.000 2.278 307 K HA 0.371 4.691 4.320 0.000 0.000 0.237 307 K C 1.844 178.498 176.600 0.091 0.000 1.229 307 K CA -0.394 55.929 56.287 0.060 0.000 1.155 307 K CB -0.278 32.270 32.500 0.080 0.000 1.590 307 K HN 0.463 nan 8.250 nan 0.000 0.290 308 I N 0.501 121.110 120.570 0.064 0.000 2.151 308 I HA -0.345 3.825 4.170 0.000 0.000 0.243 308 I C 1.935 178.143 176.117 0.150 0.000 1.080 308 I CA 1.420 62.778 61.300 0.097 0.000 1.339 308 I CB -0.119 37.911 38.000 0.050 0.000 1.039 308 I HN 0.319 nan 8.210 nan 0.000 0.409 309 E N 0.798 121.052 120.200 0.091 0.000 2.072 309 E HA -0.161 4.189 4.350 0.000 0.000 0.191 309 E C 2.318 178.957 176.600 0.066 0.000 0.985 309 E CA 1.236 57.678 56.400 0.070 0.000 0.801 309 E CB -0.428 29.293 29.700 0.034 0.000 0.750 309 E HN 0.586 nan 8.360 nan 0.000 0.452 310 I N 0.469 121.069 120.570 0.051 0.000 2.394 310 I HA -0.223 3.947 4.170 0.000 0.000 0.251 310 I C 2.267 178.401 176.117 0.029 0.000 1.136 310 I CA 0.575 61.876 61.300 0.003 0.000 1.425 310 I CB -0.030 37.944 38.000 -0.043 0.000 1.079 310 I HN -0.062 nan 8.210 nan 0.000 0.425 311 F N 1.962 121.895 119.950 -0.029 0.000 2.069 311 F HA -0.269 4.258 4.527 0.000 0.000 0.298 311 F C 2.599 178.394 175.800 -0.008 0.000 1.113 311 F CA 1.781 59.769 58.000 -0.019 0.000 1.214 311 F CB -0.438 38.561 39.000 -0.001 0.000 0.978 311 F HN -0.116 nan 8.300 nan 0.000 0.474 312 R N -1.067 119.468 120.500 0.058 0.000 2.103 312 R HA -0.275 4.065 4.340 0.000 0.000 0.242 312 R C 2.248 178.486 176.300 -0.103 0.000 1.142 312 R CA 1.958 58.034 56.100 -0.041 0.000 0.960 312 R CB -1.005 29.343 30.300 0.081 0.000 0.858 312 R HN 0.507 nan 8.270 nan 0.000 0.439 313 H N 0.626 119.610 119.070 -0.142 0.000 2.321 313 H HA -0.029 4.527 4.556 0.000 0.000 0.300 313 H C 1.918 177.119 175.328 -0.212 0.000 1.087 313 H CA 1.909 57.864 56.048 -0.155 0.000 1.319 313 H CB -0.100 29.569 29.762 -0.155 0.000 1.379 313 H HN 0.087 nan 8.280 nan 0.000 0.501 314 I N 0.155 120.533 120.570 -0.320 0.000 2.226 314 I HA -0.246 3.924 4.170 0.000 0.000 0.245 314 I C 2.564 178.495 176.117 -0.310 0.000 1.100 314 I CA 0.869 61.952 61.300 -0.361 0.000 1.374 314 I CB -0.304 37.498 38.000 -0.330 0.000 1.057 314 I HN 0.356 nan 8.210 nan 0.000 0.413 315 L N 0.808 121.789 121.223 -0.403 0.000 2.012 315 L HA -0.263 4.077 4.340 0.000 0.000 0.210 315 L C 2.767 179.600 176.870 -0.062 0.000 1.073 315 L CA 1.846 56.517 54.840 -0.281 0.000 0.748 315 L CB -0.647 41.089 42.059 -0.538 0.000 0.891 315 L HN 0.429 nan 8.230 nan 0.000 0.431 316 Q N 0.589 120.299 119.800 -0.150 0.000 2.112 316 Q HA -0.269 4.071 4.340 0.000 0.000 0.206 316 Q C 2.168 178.101 176.000 -0.111 0.000 0.987 316 Q CA 1.837 57.579 55.803 -0.102 0.000 0.858 316 Q CB -0.204 28.449 28.738 -0.142 0.000 0.905 316 Q HN 0.508 nan 8.270 nan 0.000 0.420 317 R N 0.094 120.464 120.500 -0.216 0.000 2.081 317 R HA -0.169 4.171 4.340 0.000 0.000 0.235 317 R C 2.344 178.561 176.300 -0.138 0.000 1.131 317 R CA 1.568 57.560 56.100 -0.181 0.000 0.960 317 R CB -0.238 29.942 30.300 -0.201 0.000 0.856 317 R HN 0.302 nan 8.270 nan 0.000 0.436 318 E N 0.321 120.423 120.200 -0.162 0.000 2.110 318 E HA -0.128 4.222 4.350 0.000 0.000 0.193 318 E C -0.268 176.050 176.600 -0.469 0.000 0.988 318 E CA 1.081 57.291 56.400 -0.317 0.000 0.804 318 E CB 0.096 29.577 29.700 -0.366 0.000 0.745 318 E HN 0.167 nan 8.360 nan 0.000 0.458 319 F N 1.130 121.027 119.950 -0.089 0.000 2.334 319 F HA 0.372 4.899 4.527 0.000 0.000 0.343 319 F C -0.257 175.506 175.800 -0.061 0.000 1.136 319 F CA -0.368 57.593 58.000 -0.065 0.000 1.237 319 F CB 0.825 39.787 39.000 -0.063 0.000 1.525 319 F HN -0.019 nan 8.300 nan 0.000 0.528 320 S N 0.000 115.720 115.700 0.033 0.000 2.498 320 S HA 0.000 4.470 4.470 0.000 0.000 0.327 320 S CA 0.000 58.209 58.200 0.015 0.000 1.107 320 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 320 S HN 0.000 nan 8.310 nan 0.000 0.517