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 1ing_1_A DATA FIRST_RESID 82 DATA SEQUENCE VEYRNWSKPQ cQITGFAPFS KDNSIRLSAG GDIWVTREPY VScDPVKcYQ DATA SEQUENCE FALGQGTTLD NKHSNDTVHD RIPHRTLLMN ELGVPFHLGT RQVcIAWSSS DATA SEQUENCE ScHDGKAWLH VcITGDDKNA TASFIYDGRL VDSIGSWSQN ILRTQESEcV DATA SEQUENCE cINGTcTVVM TDGSASGRAD TRILFIEEGK IVHISPLAGS AQHVEEcScY DATA SEQUENCE PRYPGVRcIc RDNWKGSNRP VVDINMEDYS IDSSYVcSGL VGDTPRNDDR DATA SEQUENCE SSNSNcRDPN NERGTQGVKG WAFDNGNDLW MGRTISKDLR SGYETFKVIG DATA SEQUENCE GWSTPNSKSQ INRQVIVDSD NRSGYSGIFS VEGKScINRc FYVELIRGRK DATA SEQUENCE QETRVWWTSN SIVVFcGTSG TYGTGSWPDG ANINFMPI 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 82 V HA 0.000 nan 4.120 nan 0.000 0.244 82 V C 0.000 175.997 176.094 -0.161 0.000 1.182 82 V CA 0.000 62.238 62.300 -0.103 0.000 1.235 82 V CB 0.000 31.766 31.823 -0.095 0.000 1.184 83 E N -0.596 119.502 120.200 -0.170 0.000 2.393 83 E HA 0.313 nan 4.350 nan 0.000 0.265 83 E C -1.750 174.713 176.600 -0.229 0.000 0.941 83 E CA -1.031 55.247 56.400 -0.203 0.000 0.801 83 E CB 3.502 33.143 29.700 -0.097 0.000 1.313 83 E HN 0.147 8.426 8.360 -0.136 0.000 0.435 84 Y N -1.763 118.523 120.300 -0.024 0.000 2.326 84 Y HA 0.025 nan 4.550 nan 0.000 0.324 84 Y C 0.178 176.029 175.900 -0.081 0.000 1.291 84 Y CA 0.100 58.184 58.100 -0.025 0.000 1.348 84 Y CB 1.552 40.019 38.460 0.012 0.000 1.294 84 Y HN -0.044 8.225 8.280 -0.019 0.000 0.525 85 R N 1.347 121.901 120.500 0.089 0.000 2.298 85 R HA 0.023 nan 4.340 nan 0.000 0.310 85 R C 0.056 176.326 176.300 -0.050 0.000 1.068 85 R CA 0.323 56.290 56.100 -0.222 0.000 0.957 85 R CB 0.229 30.226 30.300 -0.505 0.000 1.003 85 R HN 0.418 8.809 8.270 0.203 0.000 0.454 86 N N 3.184 121.843 118.700 -0.068 0.000 2.171 86 N HA 0.009 nan 4.740 nan 0.000 0.212 86 N C -0.578 175.040 175.510 0.180 0.000 1.184 86 N CA -0.770 52.348 53.050 0.113 0.000 0.888 86 N CB -0.231 38.276 38.487 0.033 0.000 1.038 86 N HN 0.440 8.714 8.380 -0.176 0.000 0.517 87 W N -4.228 117.061 121.300 -0.020 0.000 5.936 87 W HA -0.374 nan 4.660 nan 0.000 0.359 87 W C 0.206 176.632 176.519 -0.156 0.000 1.253 87 W CA 0.186 57.512 57.345 -0.031 0.000 0.980 87 W CB -2.952 26.548 29.460 0.065 0.000 2.332 87 W HN -0.102 7.848 8.180 -0.268 0.069 1.641 88 S N 0.941 116.488 115.700 -0.256 0.000 3.613 88 S HA -0.125 nan 4.470 nan 0.000 0.220 88 S C -0.379 174.124 174.600 -0.161 0.000 1.261 88 S CA 1.065 58.952 58.200 -0.522 0.000 1.143 88 S CB -0.852 61.913 63.200 -0.724 0.000 1.315 88 S HN -0.287 7.978 8.310 -0.274 -0.119 0.450 89 K N 1.339 121.736 120.400 -0.004 0.000 2.371 89 K HA 0.402 nan 4.320 nan 0.000 0.251 89 K C -2.216 174.423 176.600 0.066 0.000 0.934 89 K CA -3.284 53.018 56.287 0.025 0.000 0.798 89 K CB 1.797 34.315 32.500 0.029 0.000 1.204 89 K HN -0.172 8.060 8.250 0.078 0.065 0.427 90 P HA -0.086 nan 4.420 nan 0.000 0.268 90 P C -1.170 176.161 177.300 0.051 0.000 1.204 90 P CA -0.178 62.958 63.100 0.061 0.000 0.768 90 P CB 0.590 32.320 31.700 0.050 0.000 0.842 91 Q N 3.405 123.235 119.800 0.050 0.000 2.330 91 Q HA -0.148 nan 4.340 nan 0.000 0.279 91 Q C -0.358 175.653 176.000 0.018 0.000 1.024 91 Q CA -0.135 55.678 55.803 0.016 0.000 0.900 91 Q CB 0.764 29.506 28.738 0.007 0.000 1.221 91 Q HN 0.220 8.528 8.270 0.063 0.000 0.396 92 c N 5.678 124.270 118.600 -0.013 0.000 2.702 92 c HA -0.096 nan 4.570 nan 0.000 0.411 92 c C -0.332 173.774 174.090 0.026 0.000 1.286 92 c CA 0.943 57.268 56.329 -0.006 0.000 1.979 92 c CB 0.061 42.545 42.510 -0.043 0.000 2.728 92 c HN 0.198 8.404 8.230 -0.041 0.000 0.652 93 Q N 2.283 122.106 119.800 0.039 0.000 2.571 93 Q HA 0.118 nan 4.340 nan 0.000 0.222 93 Q C -0.666 175.367 176.000 0.056 0.000 1.167 93 Q CA -1.059 54.792 55.803 0.080 0.000 0.966 93 Q CB -1.020 27.765 28.738 0.078 0.000 1.274 93 Q HN 0.206 8.491 8.270 0.026 0.000 0.552 94 I N 0.215 120.800 120.570 0.025 0.000 2.638 94 I HA 0.172 nan 4.170 nan 0.000 0.286 94 I C -0.165 175.927 176.117 -0.041 0.000 1.088 94 I CA -0.331 60.901 61.300 -0.114 0.000 1.397 94 I CB 1.295 39.066 38.000 -0.382 0.000 1.414 94 I HN -0.628 7.622 8.210 0.067 0.000 0.566 95 T N 4.617 119.132 114.554 -0.065 0.000 3.014 95 T HA 0.191 nan 4.350 nan 0.000 0.250 95 T C -0.238 174.512 174.700 0.083 0.000 1.060 95 T CA 0.753 62.915 62.100 0.104 0.000 1.040 95 T CB 0.823 69.778 68.868 0.146 0.000 0.971 95 T HN 0.599 8.654 8.240 -0.105 0.123 0.497 96 G N -0.269 108.296 108.800 -0.392 0.000 2.367 96 G HA2 0.046 nan 3.960 nan 0.000 0.272 96 G HA3 0.046 nan 3.960 nan 0.000 0.272 96 G C -3.281 170.920 174.900 -1.164 0.000 1.271 96 G CA 0.880 45.532 45.100 -0.747 0.000 0.893 96 G HN -0.677 7.303 8.290 -0.517 0.000 0.485 97 F N -0.610 119.024 119.950 -0.527 0.000 2.507 97 F HA 0.619 nan 4.527 nan 0.000 0.325 97 F C -0.830 174.833 175.800 -0.228 0.000 1.116 97 F CA -2.100 55.748 58.000 -0.253 0.000 0.930 97 F CB 2.851 41.904 39.000 0.089 0.000 1.146 97 F HN -0.208 7.927 8.300 -0.790 -0.309 0.447 98 A N 3.354 126.165 122.820 -0.014 0.000 2.330 98 A HA 0.657 nan 4.320 nan 0.000 0.329 98 A C -3.232 173.986 177.584 -0.610 0.000 1.135 98 A CA -3.166 48.757 52.037 -0.189 0.000 0.817 98 A CB 1.015 19.950 19.000 -0.109 0.000 1.269 98 A HN 0.716 8.873 8.150 0.012 0.000 0.469 99 P HA 0.224 nan 4.420 nan 0.000 0.269 99 P C -1.681 175.291 177.300 -0.547 0.000 1.209 99 P CA 1.008 63.259 63.100 -1.415 0.000 0.776 99 P CB 0.475 31.519 31.700 -1.093 0.000 0.876 100 F N 2.251 121.820 119.950 -0.636 0.000 2.411 100 F HA 0.259 nan 4.527 nan 0.000 0.286 100 F C -1.289 174.369 175.800 -0.237 0.000 0.858 100 F CA -0.046 57.754 58.000 -0.333 0.000 1.080 100 F CB 2.665 41.523 39.000 -0.236 0.000 0.961 100 F HN 0.340 8.317 8.300 -0.538 0.000 0.742 101 S N -1.672 113.903 115.700 -0.208 0.000 2.671 101 S HA 0.316 nan 4.470 nan 0.000 0.277 101 S C -2.226 172.292 174.600 -0.137 0.000 1.165 101 S CA -0.466 57.584 58.200 -0.251 0.000 0.822 101 S CB 3.368 66.427 63.200 -0.236 0.000 1.150 101 S HN -0.292 7.961 8.310 -0.095 0.000 0.479 102 K N 0.699 121.030 120.400 -0.115 0.000 2.636 102 K HA 0.082 nan 4.320 nan 0.000 0.268 102 K C -2.151 174.408 176.600 -0.069 0.000 0.958 102 K CA 0.558 56.818 56.287 -0.044 0.000 0.875 102 K CB 2.427 34.928 32.500 0.002 0.000 1.382 102 K HN 0.087 8.245 8.250 -0.153 0.000 0.405 103 D N 2.302 122.667 120.400 -0.058 0.000 2.500 103 D HA 0.180 nan 4.640 nan 0.000 0.217 103 D C 0.241 176.511 176.300 -0.051 0.000 1.159 103 D CA -0.821 53.123 54.000 -0.093 0.000 0.828 103 D CB 0.443 41.135 40.800 -0.179 0.000 1.039 103 D HN 0.285 8.640 8.370 -0.025 0.000 0.512 104 N N -1.906 116.792 118.700 -0.003 0.000 2.650 104 N HA -0.425 nan 4.740 nan 0.000 0.249 104 N C 0.798 176.316 175.510 0.014 0.000 1.155 104 N CA 1.703 54.766 53.050 0.021 0.000 0.747 104 N CB -0.499 38.001 38.487 0.022 0.000 1.132 104 N HN 0.242 8.632 8.380 0.015 0.000 0.564 105 S N -0.056 115.642 115.700 -0.004 0.000 2.393 105 S HA -0.409 nan 4.470 nan 0.000 0.234 105 S C 1.172 175.785 174.600 0.021 0.000 1.064 105 S CA 3.875 62.077 58.200 0.003 0.000 1.088 105 S CB -0.068 63.136 63.200 0.006 0.000 0.939 105 S HN -0.216 8.282 8.310 -0.021 -0.201 0.448 106 I N 0.044 120.640 120.570 0.045 0.000 2.202 106 I HA -0.356 nan 4.170 nan 0.000 0.242 106 I C 1.946 178.076 176.117 0.023 0.000 1.091 106 I CA 2.152 63.473 61.300 0.034 0.000 1.368 106 I CB -1.303 36.767 38.000 0.117 0.000 1.058 106 I HN 0.081 8.329 8.210 0.064 0.000 0.410 107 R N -1.142 119.386 120.500 0.047 0.000 2.096 107 R HA -0.324 nan 4.340 nan 0.000 0.240 107 R C 3.236 179.556 176.300 0.033 0.000 1.139 107 R CA 3.240 59.371 56.100 0.052 0.000 0.952 107 R CB -0.401 29.933 30.300 0.057 0.000 0.854 107 R HN -0.728 7.576 8.270 0.056 0.000 0.436 108 L N -1.238 119.994 121.223 0.015 0.000 2.141 108 L HA -0.286 nan 4.340 nan 0.000 0.209 108 L C 2.082 178.943 176.870 -0.016 0.000 1.094 108 L CA 2.741 57.582 54.840 0.002 0.000 0.763 108 L CB -0.389 41.668 42.059 -0.003 0.000 0.908 108 L HN 0.167 8.406 8.230 0.015 0.000 0.437 109 S N -0.097 115.580 115.700 -0.038 0.000 2.440 109 S HA -0.293 nan 4.470 nan 0.000 0.238 109 S C 1.086 175.622 174.600 -0.106 0.000 1.010 109 S CA 3.341 61.484 58.200 -0.095 0.000 0.972 109 S CB -0.621 62.471 63.200 -0.181 0.000 0.774 109 S HN -0.061 8.091 8.310 -0.029 0.140 0.501 110 A N -1.378 121.411 122.820 -0.052 0.000 2.251 110 A HA 0.162 nan 4.320 nan 0.000 0.209 110 A C 0.108 177.688 177.584 -0.007 0.000 1.187 110 A CA 0.483 52.510 52.037 -0.017 0.000 0.823 110 A CB -0.300 18.736 19.000 0.061 0.000 0.846 110 A HN -0.725 7.370 8.150 -0.024 0.042 0.486 111 G N -2.477 106.312 108.800 -0.018 0.000 5.482 111 G HA2 0.094 nan 3.960 nan 0.000 0.208 111 G HA3 0.094 nan 3.960 nan 0.000 0.208 111 G C -1.691 173.194 174.900 -0.024 0.000 0.756 111 G CA 0.347 45.437 45.100 -0.017 0.000 0.682 111 G HN -0.051 8.020 8.290 -0.027 0.202 0.405 112 G N -0.987 107.793 108.800 -0.035 0.000 2.442 112 G HA2 -0.086 nan 3.960 nan 0.000 0.296 112 G HA3 -0.086 nan 3.960 nan 0.000 0.296 112 G C -2.915 171.960 174.900 -0.041 0.000 1.564 112 G CA 0.305 45.387 45.100 -0.031 0.000 0.828 112 G HN -0.765 7.498 8.290 -0.045 0.000 0.571 113 D N 2.472 122.849 120.400 -0.039 0.000 2.498 113 D HA 0.079 nan 4.640 nan 0.000 0.229 113 D C -0.983 175.296 176.300 -0.036 0.000 1.188 113 D CA 0.200 54.159 54.000 -0.070 0.000 1.028 113 D CB -0.793 39.956 40.800 -0.084 0.000 1.087 113 D HN 0.118 8.471 8.370 -0.028 0.000 0.510 114 I N 0.713 121.267 120.570 -0.027 0.000 2.562 114 I HA 0.443 nan 4.170 nan 0.000 0.301 114 I C -0.561 175.605 176.117 0.082 0.000 1.003 114 I CA -2.499 58.843 61.300 0.070 0.000 1.127 114 I CB 1.809 39.847 38.000 0.063 0.000 1.304 114 I HN -0.379 7.773 8.210 -0.060 0.023 0.446 115 W N 4.653 125.982 121.300 0.048 0.000 2.034 115 W HA -0.020 nan 4.660 nan 0.000 0.357 115 W C -0.372 176.169 176.519 0.036 0.000 1.326 115 W CA 1.082 58.446 57.345 0.032 0.000 1.318 115 W CB 0.657 30.138 29.460 0.035 0.000 1.193 115 W HN 0.654 9.048 8.180 0.528 0.102 0.620 116 V N 1.139 121.312 119.914 0.432 0.000 2.250 116 V HA 0.364 nan 4.120 nan 0.000 0.268 116 V C -0.728 175.517 176.094 0.252 0.000 1.043 116 V CA -1.119 61.344 62.300 0.271 0.000 0.814 116 V CB -1.075 30.881 31.823 0.223 0.000 1.072 116 V HN 0.016 8.584 8.190 0.629 0.000 0.451 117 T N 2.946 117.620 114.554 0.200 0.000 2.888 117 T HA 0.582 nan 4.350 nan 0.000 0.283 117 T C -0.746 174.023 174.700 0.115 0.000 1.013 117 T CA -2.057 60.103 62.100 0.100 0.000 0.938 117 T CB 1.984 70.879 68.868 0.045 0.000 1.298 117 T HN -0.225 8.155 8.240 0.232 0.000 0.580 118 R N -2.420 118.123 120.500 0.071 0.000 2.765 118 R HA 0.101 nan 4.340 nan 0.000 0.277 118 R C -1.495 174.827 176.300 0.036 0.000 1.028 118 R CA -0.072 56.061 56.100 0.055 0.000 0.860 118 R CB 4.153 34.468 30.300 0.026 0.000 1.270 118 R HN -0.201 8.087 8.270 0.031 0.000 0.484 119 E N -1.798 118.389 120.200 -0.020 0.000 2.332 119 E HA -0.300 nan 4.350 nan 0.000 0.162 119 E C -2.198 174.538 176.600 0.226 0.000 1.637 119 E CA 0.797 57.204 56.400 0.012 0.000 0.654 119 E CB -1.812 27.850 29.700 -0.065 0.000 1.072 119 E HN -0.021 8.514 8.360 -0.080 -0.223 0.336 120 P HA 0.533 nan 4.420 nan 0.000 0.284 120 P C -2.140 175.314 177.300 0.256 0.000 1.292 120 P CA -1.177 62.060 63.100 0.228 0.000 0.800 120 P CB 1.305 33.119 31.700 0.189 0.000 1.188 121 Y N -9.149 110.966 120.300 -0.308 0.000 2.810 121 Y HA 0.203 nan 4.550 nan 0.000 0.355 121 Y C -2.901 172.732 175.900 -0.446 0.000 1.211 121 Y CA -0.981 56.614 58.100 -0.842 0.000 1.112 121 Y CB 0.849 39.132 38.460 -0.294 0.000 1.383 121 Y HN -0.019 8.143 8.280 -0.197 0.000 0.458 122 V N -4.203 115.532 119.914 -0.299 0.000 2.962 122 V HA 0.813 nan 4.120 nan 0.000 0.313 122 V C -2.704 173.358 176.094 -0.053 0.000 1.099 122 V CA -2.667 59.533 62.300 -0.167 0.000 0.971 122 V CB 3.036 34.568 31.823 -0.485 0.000 1.028 122 V HN 0.203 8.176 8.190 -0.362 0.000 0.430 123 S N 2.114 117.958 115.700 0.240 0.000 2.625 123 S HA 0.574 nan 4.470 nan 0.000 0.271 123 S C -1.933 172.995 174.600 0.546 0.000 1.161 123 S CA -1.847 56.590 58.200 0.395 0.000 0.820 123 S CB 3.013 66.558 63.200 0.574 0.000 1.137 123 S HN 0.243 8.797 8.310 0.407 0.000 0.470 124 c N -0.051 118.841 118.600 0.486 0.000 2.888 124 c HA 0.870 nan 4.570 nan 0.000 0.308 124 c C -1.009 173.165 174.090 0.140 0.000 1.213 124 c CA -1.501 55.064 56.329 0.394 0.000 1.461 124 c CB 4.289 46.945 42.510 0.244 0.000 1.934 124 c HN 0.751 9.229 8.230 0.414 0.000 0.474 125 D N 2.934 123.340 120.400 0.009 0.000 2.387 125 D HA 0.461 nan 4.640 nan 0.000 0.255 125 D C -1.159 174.978 176.300 -0.273 0.000 1.081 125 D CA -2.374 51.276 54.000 -0.583 0.000 0.994 125 D CB -0.554 39.756 40.800 -0.817 0.000 1.127 125 D HN 0.375 8.910 8.370 0.275 0.000 0.513 126 P HA -0.306 nan 4.420 nan 0.000 0.217 126 P C 0.368 177.609 177.300 -0.099 0.000 1.162 126 P CA 2.017 65.006 63.100 -0.184 0.000 0.901 126 P CB 0.002 31.596 31.700 -0.176 0.000 0.793 127 V N -4.887 114.982 119.914 -0.076 0.000 2.379 127 V HA -0.020 nan 4.120 nan 0.000 0.245 127 V C -0.038 176.041 176.094 -0.026 0.000 1.044 127 V CA 1.137 63.416 62.300 -0.035 0.000 1.036 127 V CB 0.382 32.197 31.823 -0.013 0.000 0.664 127 V HN 0.191 8.419 8.190 -0.098 -0.097 0.453 128 K N -3.894 116.491 120.400 -0.025 0.000 2.499 128 K HA 0.240 nan 4.320 nan 0.000 0.277 128 K C -1.892 174.632 176.600 -0.127 0.000 1.025 128 K CA -0.900 55.330 56.287 -0.095 0.000 0.900 128 K CB 3.297 35.673 32.500 -0.206 0.000 1.494 128 K HN -0.297 8.416 8.250 0.010 -0.458 0.442 129 c N -0.537 117.934 118.600 -0.214 0.000 2.399 129 c HA 1.001 nan 4.570 nan 0.000 0.348 129 c C -0.173 173.597 174.090 -0.534 0.000 1.183 129 c CA -1.039 55.199 56.329 -0.150 0.000 2.023 129 c CB 1.822 44.340 42.510 0.014 0.000 2.361 129 c HN 0.297 8.406 8.230 -0.201 0.000 0.521 130 Y N -1.445 118.867 120.300 0.020 0.000 2.609 130 Y HA 0.476 nan 4.550 nan 0.000 0.342 130 Y C -2.321 173.419 175.900 -0.267 0.000 1.058 130 Y CA -1.443 56.531 58.100 -0.210 0.000 1.055 130 Y CB 4.139 42.330 38.460 -0.448 0.000 1.292 130 Y HN 1.175 9.606 8.280 0.252 0.000 0.476 131 Q N -1.667 117.973 119.800 -0.265 0.000 2.330 131 Q HA 0.742 nan 4.340 nan 0.000 0.269 131 Q C -1.365 174.432 176.000 -0.339 0.000 1.022 131 Q CA -1.818 53.857 55.803 -0.213 0.000 0.796 131 Q CB 2.770 31.393 28.738 -0.193 0.000 1.271 131 Q HN 0.785 8.782 8.270 -0.272 0.110 0.450 132 F N 3.533 123.239 119.950 -0.407 0.000 2.497 132 F HA 0.784 nan 4.527 nan 0.000 0.331 132 F C -1.201 174.321 175.800 -0.463 0.000 1.060 132 F CA -2.135 55.484 58.000 -0.636 0.000 0.989 132 F CB 3.210 41.369 39.000 -1.402 0.000 1.245 132 F HN 0.882 9.055 8.300 -0.020 0.114 0.486 133 A N -1.788 120.851 122.820 -0.302 0.000 2.573 133 A HA 0.454 nan 4.320 nan 0.000 0.299 133 A C -2.414 174.974 177.584 -0.328 0.000 1.060 133 A CA 0.369 52.275 52.037 -0.219 0.000 0.736 133 A CB 2.842 21.795 19.000 -0.078 0.000 1.280 133 A HN 0.130 8.041 8.150 -0.398 0.000 0.401 134 L N 2.813 123.952 121.223 -0.140 0.000 2.356 134 L HA 0.361 nan 4.340 nan 0.000 0.282 134 L C -0.068 176.709 176.870 -0.156 0.000 1.132 134 L CA -0.940 53.821 54.840 -0.131 0.000 0.923 134 L CB -0.856 41.208 42.059 0.008 0.000 1.278 134 L HN 0.045 8.257 8.230 -0.031 0.000 0.436 135 G N 0.912 109.508 108.800 -0.339 0.000 2.667 135 G HA2 -0.078 nan 3.960 nan 0.000 0.250 135 G HA3 -0.078 nan 3.960 nan 0.000 0.250 135 G C -0.452 174.468 174.900 0.033 0.000 1.212 135 G CA -0.303 44.657 45.100 -0.233 0.000 0.874 135 G HN -0.071 7.908 8.290 -0.519 0.000 0.561 136 Q N 0.720 120.662 119.800 0.237 0.000 2.217 136 Q HA 0.003 nan 4.340 nan 0.000 0.226 136 Q C 0.625 176.840 176.000 0.359 0.000 0.875 136 Q CA -0.932 55.027 55.803 0.259 0.000 0.974 136 Q CB -0.331 28.544 28.738 0.228 0.000 1.079 136 Q HN 0.210 8.576 8.270 0.322 0.096 0.463 137 G N -0.722 108.408 108.800 0.550 0.000 2.258 137 G HA2 -0.456 nan 3.960 nan 0.000 0.274 137 G HA3 -0.456 nan 3.960 nan 0.000 0.274 137 G C -1.899 173.179 174.900 0.297 0.000 1.021 137 G CA 0.777 46.226 45.100 0.582 0.000 0.798 137 G HN 0.330 8.819 8.290 0.503 0.102 0.507 138 T N -3.848 110.845 114.554 0.232 0.000 2.693 138 T HA 0.243 nan 4.350 nan 0.000 0.304 138 T C -2.352 172.239 174.700 -0.181 0.000 1.471 138 T CA -0.937 61.108 62.100 -0.091 0.000 0.993 138 T CB 2.540 71.460 68.868 0.086 0.000 1.554 138 T HN -0.520 8.054 8.240 0.594 0.023 0.496 139 T N 1.948 116.371 114.554 -0.220 0.000 2.950 139 T HA 0.714 nan 4.350 nan 0.000 0.288 139 T C 1.423 176.058 174.700 -0.108 0.000 1.035 139 T CA -1.019 60.964 62.100 -0.195 0.000 1.028 139 T CB 1.685 70.388 68.868 -0.275 0.000 1.109 139 T HN -0.189 8.094 8.240 -0.211 -0.169 0.514 140 L N 2.405 123.538 121.223 -0.150 0.000 2.131 140 L HA -0.299 nan 4.340 nan 0.000 0.210 140 L C 1.112 177.864 176.870 -0.196 0.000 1.092 140 L CA 4.051 58.733 54.840 -0.263 0.000 0.759 140 L CB 0.138 41.877 42.059 -0.534 0.000 0.903 140 L HN 0.143 8.284 8.230 -0.148 0.000 0.435 141 D N -4.113 116.195 120.400 -0.153 0.000 2.317 141 D HA -0.153 nan 4.640 nan 0.000 0.211 141 D C -0.741 175.513 176.300 -0.077 0.000 0.966 141 D CA 1.549 55.489 54.000 -0.100 0.000 0.876 141 D CB 0.137 40.879 40.800 -0.097 0.000 0.927 141 D HN 0.210 8.482 8.370 -0.163 0.000 0.519 142 N N -0.337 118.306 118.700 -0.096 0.000 2.513 142 N HA -0.075 nan 4.740 nan 0.000 0.268 142 N C 0.988 176.492 175.510 -0.010 0.000 1.180 142 N CA 0.791 53.773 53.050 -0.113 0.000 0.948 142 N CB 0.717 39.112 38.487 -0.154 0.000 1.083 142 N HN -0.729 7.418 8.380 -0.108 0.167 0.455 143 K N 3.160 123.556 120.400 -0.008 0.000 2.442 143 K HA -0.313 nan 4.320 nan 0.000 0.198 143 K C 1.640 178.352 176.600 0.187 0.000 1.042 143 K CA 2.886 59.221 56.287 0.080 0.000 0.958 143 K CB -0.254 32.282 32.500 0.061 0.000 0.766 143 K HN 0.588 8.787 8.250 -0.085 0.000 0.474 144 H N -2.353 116.718 119.070 0.001 0.000 2.567 144 H HA -0.105 nan 4.556 nan 0.000 0.276 144 H C 0.519 175.882 175.328 0.058 0.000 1.016 144 H CA 0.785 56.841 56.048 0.014 0.000 1.186 144 H CB -0.779 28.973 29.762 -0.017 0.000 1.351 144 H HN 0.180 8.465 8.280 0.112 0.062 0.605 145 S N -1.579 114.242 115.700 0.201 0.000 2.439 145 S HA -0.157 nan 4.470 nan 0.000 0.224 145 S C 0.505 175.250 174.600 0.241 0.000 1.029 145 S CA 0.575 58.908 58.200 0.222 0.000 0.946 145 S CB 0.926 64.264 63.200 0.230 0.000 0.797 145 S HN -0.125 8.109 8.310 0.176 0.182 0.504 146 N N 3.183 122.003 118.700 0.199 0.000 2.359 146 N HA -0.316 nan 4.740 nan 0.000 0.261 146 N C -0.357 175.209 175.510 0.094 0.000 1.267 146 N CA 1.836 54.979 53.050 0.155 0.000 0.864 146 N CB -0.138 38.334 38.487 -0.025 0.000 1.063 146 N HN -0.612 7.772 8.380 0.174 0.101 0.474 147 D N 2.372 122.823 120.400 0.086 0.000 3.110 147 D HA -0.394 nan 4.640 nan 0.000 0.214 147 D C 0.532 176.713 176.300 -0.197 0.000 1.112 147 D CA 1.641 55.581 54.000 -0.101 0.000 0.927 147 D CB -0.829 39.925 40.800 -0.076 0.000 1.095 147 D HN 0.247 8.726 8.370 0.181 0.000 0.429 148 T N 0.102 114.657 114.554 0.002 0.000 3.155 148 T HA -0.141 nan 4.350 nan 0.000 0.264 148 T C 0.445 175.139 174.700 -0.009 0.000 1.160 148 T CA 2.716 64.848 62.100 0.055 0.000 1.075 148 T CB -0.202 68.775 68.868 0.183 0.000 0.921 148 T HN -0.090 8.162 8.240 0.096 0.046 0.533 149 V N -1.892 117.940 119.914 -0.135 0.000 2.358 149 V HA -0.166 nan 4.120 nan 0.000 0.246 149 V C 0.920 176.979 176.094 -0.059 0.000 1.047 149 V CA 1.165 63.404 62.300 -0.102 0.000 1.035 149 V CB -0.524 31.225 31.823 -0.124 0.000 0.658 149 V HN -0.504 7.451 8.190 -0.210 0.109 0.452 150 H N -0.455 118.635 119.070 0.033 0.000 3.173 150 H HA -0.164 nan 4.556 nan 0.000 0.311 150 H C -0.103 175.211 175.328 -0.023 0.000 0.972 150 H CA -0.290 55.755 56.048 -0.004 0.000 1.384 150 H CB 0.048 29.805 29.762 -0.008 0.000 1.349 150 H HN -0.703 7.149 8.280 -0.713 0.000 0.582 151 D N 1.735 122.169 120.400 0.057 0.000 2.194 151 D HA -0.093 nan 4.640 nan 0.000 0.204 151 D C 0.090 176.324 176.300 -0.109 0.000 0.964 151 D CA 2.023 56.002 54.000 -0.034 0.000 0.846 151 D CB 0.314 41.066 40.800 -0.080 0.000 0.962 151 D HN 0.249 8.655 8.370 0.060 0.000 0.490 152 R N -2.180 118.198 120.500 -0.204 0.000 2.500 152 R HA 0.234 nan 4.340 nan 0.000 0.299 152 R C -1.877 174.314 176.300 -0.182 0.000 1.038 152 R CA -0.710 55.169 56.100 -0.367 0.000 0.903 152 R CB 1.692 31.314 30.300 -1.129 0.000 1.177 152 R HN -0.236 7.940 8.270 -0.157 0.000 0.455 153 I N -0.766 119.801 120.570 -0.006 0.000 2.785 153 I HA 0.682 nan 4.170 nan 0.000 0.302 153 I C -1.036 175.063 176.117 -0.029 0.000 1.069 153 I CA -4.445 56.842 61.300 -0.023 0.000 1.045 153 I CB 3.004 41.023 38.000 0.032 0.000 1.236 153 I HN -0.052 8.204 8.210 0.075 0.000 0.429 154 P HA -0.154 nan 4.420 nan 0.000 0.223 154 P C -0.775 176.343 177.300 -0.303 0.000 1.144 154 P CA 2.213 65.159 63.100 -0.257 0.000 0.783 154 P CB -0.102 31.383 31.700 -0.358 0.000 0.771 155 H N -4.770 114.363 119.070 0.105 0.000 2.548 155 H HA 0.107 nan 4.556 nan 0.000 0.265 155 H C -0.145 175.246 175.328 0.104 0.000 0.969 155 H CA -0.458 55.651 56.048 0.101 0.000 1.155 155 H CB -0.236 29.590 29.762 0.106 0.000 1.394 155 H HN -0.158 7.735 8.280 -0.529 0.069 0.570 156 R N 0.937 121.526 120.500 0.148 0.000 2.351 156 R HA -0.021 nan 4.340 nan 0.000 0.318 156 R C -1.128 175.183 176.300 0.017 0.000 1.055 156 R CA 0.694 56.856 56.100 0.104 0.000 0.968 156 R CB -0.383 30.006 30.300 0.148 0.000 0.974 156 R HN -0.476 7.827 8.270 0.127 0.043 0.439 157 T N 0.997 115.505 114.554 -0.078 0.000 2.887 157 T HA 0.602 nan 4.350 nan 0.000 0.288 157 T C -1.879 172.646 174.700 -0.291 0.000 1.021 157 T CA -2.306 59.694 62.100 -0.167 0.000 1.000 157 T CB 2.306 71.082 68.868 -0.154 0.000 1.034 157 T HN -0.115 8.057 8.240 -0.112 0.000 0.467 158 L N 3.494 124.552 121.223 -0.274 0.000 2.325 158 L HA 0.512 nan 4.340 nan 0.000 0.284 158 L C -1.801 174.795 176.870 -0.456 0.000 1.089 158 L CA -0.739 53.919 54.840 -0.304 0.000 0.836 158 L CB 0.413 42.359 42.059 -0.188 0.000 1.184 158 L HN 0.120 8.211 8.230 -0.232 0.000 0.444 159 L N 6.186 127.010 121.223 -0.665 0.000 2.399 159 L HA 0.519 nan 4.340 nan 0.000 0.266 159 L C -1.242 175.193 176.870 -0.725 0.000 1.114 159 L CA -0.859 53.462 54.840 -0.866 0.000 0.804 159 L CB 0.998 42.142 42.059 -1.526 0.000 1.146 159 L HN 0.785 8.607 8.230 -0.680 0.000 0.451 160 M N 0.743 119.984 119.600 -0.598 0.000 2.150 160 M HA 0.212 nan 4.480 nan 0.000 0.255 160 M C -2.473 173.627 176.300 -0.332 0.000 0.963 160 M CA -0.050 54.864 55.300 -0.643 0.000 1.033 160 M CB 1.702 33.825 32.600 -0.795 0.000 2.007 160 M HN -0.308 7.668 8.290 -0.523 0.000 0.462 161 N N 5.156 123.788 118.700 -0.114 0.000 2.457 161 N HA 0.370 nan 4.740 nan 0.000 0.290 161 N C -1.883 173.606 175.510 -0.035 0.000 1.232 161 N CA -1.179 51.856 53.050 -0.024 0.000 0.852 161 N CB 3.484 41.974 38.487 0.004 0.000 1.313 161 N HN -0.005 8.347 8.380 -0.046 0.000 0.522 162 E N 0.793 120.974 120.200 -0.032 0.000 2.383 162 E HA -0.017 nan 4.350 nan 0.000 0.264 162 E C -0.393 176.069 176.600 -0.230 0.000 1.050 162 E CA 0.110 56.399 56.400 -0.185 0.000 0.896 162 E CB 1.121 30.718 29.700 -0.170 0.000 0.982 162 E HN 0.185 8.535 8.360 -0.017 0.000 0.424 163 L N 5.749 126.798 121.223 -0.291 0.000 2.698 163 L HA -0.389 nan 4.340 nan 0.000 0.272 163 L C -0.142 176.572 176.870 -0.259 0.000 1.154 163 L CA 1.392 56.081 54.840 -0.252 0.000 0.964 163 L CB -0.838 41.090 42.059 -0.219 0.000 1.272 163 L HN 0.086 7.979 8.230 -0.391 0.102 0.483 164 G N 6.081 114.732 108.800 -0.248 0.000 2.367 164 G HA2 -0.243 nan 3.960 nan 0.000 0.181 164 G HA3 -0.243 nan 3.960 nan 0.000 0.181 164 G C -1.479 173.302 174.900 -0.197 0.000 1.000 164 G CA -0.344 44.619 45.100 -0.227 0.000 0.693 164 G HN 0.013 8.431 8.290 -0.263 -0.285 0.480 165 V N 1.005 120.802 119.914 -0.196 0.000 2.347 165 V HA 0.502 nan 4.120 nan 0.000 0.280 165 V C -2.750 173.227 176.094 -0.194 0.000 1.021 165 V CA -3.852 58.364 62.300 -0.140 0.000 0.847 165 V CB 0.864 32.649 31.823 -0.063 0.000 0.990 165 V HN -0.615 7.448 8.190 -0.213 0.000 0.444 166 P HA 0.005 nan 4.420 nan 0.000 0.270 166 P C -0.901 176.358 177.300 -0.068 0.000 1.227 166 P CA -0.290 62.676 63.100 -0.223 0.000 0.788 166 P CB 0.763 32.421 31.700 -0.071 0.000 0.926 167 F N 0.160 120.154 119.950 0.073 0.000 2.652 167 F HA 0.118 nan 4.527 nan 0.000 0.352 167 F C -0.498 175.445 175.800 0.239 0.000 1.259 167 F CA -1.557 56.488 58.000 0.075 0.000 1.249 167 F CB -1.618 37.382 39.000 0.000 0.000 1.628 167 F HN 0.348 8.491 8.300 -0.263 0.000 0.654 168 H N -1.398 117.856 119.070 0.307 0.000 2.496 168 H HA 0.464 nan 4.556 nan 0.000 0.342 168 H C 0.860 176.307 175.328 0.197 0.000 1.170 168 H CA -2.341 53.812 56.048 0.176 0.000 1.274 168 H CB 1.541 31.344 29.762 0.068 0.000 1.538 168 H HN 0.072 8.342 8.280 0.048 0.039 0.542 169 L N -0.813 120.425 121.223 0.025 0.000 2.302 169 L HA -0.424 nan 4.340 nan 0.000 0.218 169 L C 1.382 178.240 176.870 -0.020 0.000 1.100 169 L CA 2.189 57.004 54.840 -0.042 0.000 0.774 169 L CB -0.818 41.205 42.059 -0.060 0.000 0.896 169 L HN -0.014 8.247 8.230 0.051 0.000 0.439 170 G N -4.073 104.661 108.800 -0.111 0.000 3.026 170 G HA2 0.024 nan 3.960 nan 0.000 0.208 170 G HA3 0.024 nan 3.960 nan 0.000 0.208 170 G C -0.059 174.722 174.900 -0.199 0.000 1.169 170 G CA -0.546 44.523 45.100 -0.052 0.000 0.788 170 G HN -0.649 7.512 8.290 -0.086 0.078 0.533 171 T N 2.005 116.393 114.554 -0.276 0.000 2.884 171 T HA -0.025 nan 4.350 nan 0.000 0.298 171 T C -0.581 174.063 174.700 -0.093 0.000 0.998 171 T CA 0.734 62.739 62.100 -0.157 0.000 1.124 171 T CB 0.328 69.142 68.868 -0.090 0.000 0.931 171 T HN -0.322 7.696 8.240 -0.232 0.083 0.531 172 R N 4.988 125.397 120.500 -0.152 0.000 2.308 172 R HA 0.111 nan 4.340 nan 0.000 0.305 172 R C -0.273 175.874 176.300 -0.254 0.000 1.053 172 R CA -0.524 55.480 56.100 -0.160 0.000 0.957 172 R CB 0.880 31.083 30.300 -0.163 0.000 1.022 172 R HN 0.428 8.601 8.270 -0.162 0.000 0.461 173 Q N 5.902 125.579 119.800 -0.205 0.000 2.553 173 Q HA 0.026 nan 4.340 nan 0.000 0.221 173 Q C 0.571 176.422 176.000 -0.249 0.000 1.219 173 Q CA 0.169 55.813 55.803 -0.265 0.000 0.955 173 Q CB -0.945 27.703 28.738 -0.150 0.000 1.399 173 Q HN 0.346 8.544 8.270 -0.121 0.000 0.551 174 V N -1.658 118.061 119.914 -0.326 0.000 2.794 174 V HA -0.265 nan 4.120 nan 0.000 0.260 174 V C -1.064 174.856 176.094 -0.290 0.000 1.103 174 V CA 1.513 63.603 62.300 -0.350 0.000 1.125 174 V CB -0.642 30.837 31.823 -0.573 0.000 0.702 174 V HN 0.285 8.245 8.190 -0.383 0.000 0.494 175 c N -5.927 112.528 118.600 -0.241 0.000 3.037 175 c HA 0.138 nan 4.570 nan 0.000 0.335 175 c C -1.874 172.119 174.090 -0.161 0.000 1.333 175 c CA -2.427 53.794 56.329 -0.180 0.000 1.211 175 c CB 0.866 43.263 42.510 -0.188 0.000 1.377 175 c HN -0.874 7.149 8.230 -0.250 0.058 0.451 176 I N 1.224 121.713 120.570 -0.135 0.000 2.325 176 I HA 0.503 nan 4.170 nan 0.000 0.291 176 I C -0.769 175.238 176.117 -0.183 0.000 1.019 176 I CA -0.275 60.950 61.300 -0.125 0.000 1.302 176 I CB 0.394 38.336 38.000 -0.097 0.000 1.401 176 I HN 0.367 8.501 8.210 -0.126 0.000 0.485 177 A N 8.010 130.729 122.820 -0.169 0.000 2.560 177 A HA 0.360 nan 4.320 nan 0.000 0.300 177 A C -1.755 175.793 177.584 -0.060 0.000 1.062 177 A CA 0.238 52.137 52.037 -0.229 0.000 0.767 177 A CB 2.076 20.952 19.000 -0.206 0.000 1.288 177 A HN 0.701 8.679 8.150 -0.112 0.105 0.396 178 W N -1.010 120.257 121.300 -0.055 0.000 3.239 178 W HA 0.273 nan 4.660 nan 0.000 0.348 178 W C -1.199 175.306 176.519 -0.024 0.000 1.183 178 W CA -1.916 55.406 57.345 -0.038 0.000 1.819 178 W CB 0.759 30.197 29.460 -0.036 0.000 1.091 178 W HN 0.829 8.599 8.180 -0.517 0.100 0.629 179 S N -0.998 114.832 115.700 0.217 0.000 2.570 179 S HA 0.147 nan 4.470 nan 0.000 0.286 179 S C -2.317 172.289 174.600 0.009 0.000 1.143 179 S CA 0.521 58.832 58.200 0.186 0.000 0.921 179 S CB 1.346 64.742 63.200 0.327 0.000 1.108 179 S HN -0.694 7.536 8.310 -0.011 0.073 0.456 180 S N 3.781 119.501 115.700 0.033 0.000 2.843 180 S HA 0.793 nan 4.470 nan 0.000 0.301 180 S C -2.468 172.081 174.600 -0.085 0.000 1.206 180 S CA -1.394 56.797 58.200 -0.016 0.000 0.875 180 S CB 3.094 66.330 63.200 0.061 0.000 1.248 180 S HN -0.529 7.941 8.310 0.076 -0.114 0.555 181 S N -1.842 113.814 115.700 -0.074 0.000 2.605 181 S HA 0.197 nan 4.470 nan 0.000 0.324 181 S C -2.390 172.179 174.600 -0.051 0.000 0.978 181 S CA 1.096 59.182 58.200 -0.191 0.000 0.864 181 S CB 1.155 64.263 63.200 -0.154 0.000 1.095 181 S HN -0.202 8.108 8.310 0.000 0.000 0.460 182 S N 6.994 122.664 115.700 -0.049 0.000 2.542 182 S HA 0.945 nan 4.470 nan 0.000 0.293 182 S C -0.938 173.729 174.600 0.112 0.000 1.089 182 S CA -1.349 56.853 58.200 0.002 0.000 0.961 182 S CB 3.072 66.196 63.200 -0.127 0.000 1.062 182 S HN -0.014 8.225 8.310 -0.119 0.000 0.483 183 c N -0.199 118.518 118.600 0.194 0.000 3.291 183 c HA 0.538 nan 4.570 nan 0.000 0.316 183 c C -2.372 171.759 174.090 0.069 0.000 1.391 183 c CA -2.783 53.650 56.329 0.173 0.000 1.394 183 c CB 3.254 45.835 42.510 0.118 0.000 1.744 183 c HN 0.457 8.779 8.230 0.154 0.000 0.461 184 H N 1.138 120.065 119.070 -0.238 0.000 2.887 184 H HA 0.293 nan 4.556 nan 0.000 0.300 184 H C 0.389 175.643 175.328 -0.124 0.000 1.038 184 H CA -1.377 54.395 56.048 -0.461 0.000 1.352 184 H CB 2.021 31.088 29.762 -1.159 0.000 1.473 184 H HN 0.351 8.669 8.280 0.063 0.000 0.503 185 D N 5.759 126.169 120.400 0.016 0.000 2.322 185 D HA -0.361 nan 4.640 nan 0.000 0.210 185 D C 0.887 177.339 176.300 0.253 0.000 0.983 185 D CA 1.800 55.897 54.000 0.162 0.000 0.902 185 D CB 0.181 41.105 40.800 0.206 0.000 0.905 185 D HN -0.038 8.322 8.370 -0.017 0.000 0.483 186 G N -2.639 106.288 108.800 0.211 0.000 2.205 186 G HA2 -0.271 nan 3.960 nan 0.000 0.180 186 G HA3 -0.271 nan 3.960 nan 0.000 0.180 186 G C -0.552 174.406 174.900 0.097 0.000 1.004 186 G CA 0.070 45.295 45.100 0.208 0.000 0.670 186 G HN -0.047 8.201 8.290 0.076 0.087 0.496 187 K N -2.148 118.220 120.400 -0.054 0.000 2.550 187 K HA 0.178 nan 4.320 nan 0.000 0.205 187 K C -1.331 175.123 176.600 -0.244 0.000 1.429 187 K CA 0.087 56.318 56.287 -0.093 0.000 0.997 187 K CB 2.986 35.431 32.500 -0.091 0.000 1.328 187 K HN -0.556 7.863 8.250 -0.133 -0.249 0.546 188 A N -1.926 120.519 122.820 -0.625 0.000 2.536 188 A HA 0.332 nan 4.320 nan 0.000 0.293 188 A C -2.735 174.297 177.584 -0.921 0.000 1.119 188 A CA -0.564 51.063 52.037 -0.684 0.000 0.654 188 A CB 1.910 20.547 19.000 -0.605 0.000 1.291 188 A HN -0.411 7.664 8.150 -0.615 -0.294 0.439 189 W N -2.968 118.025 121.300 -0.512 0.000 2.448 189 W HA 0.536 nan 4.660 nan 0.000 0.339 189 W C -1.146 175.200 176.519 -0.290 0.000 1.124 189 W CA -0.819 56.330 57.345 -0.327 0.000 1.262 189 W CB 2.466 31.780 29.460 -0.243 0.000 1.251 189 W HN 0.041 8.144 8.180 -0.128 0.000 0.597 190 L N 0.117 121.395 121.223 0.092 0.000 2.362 190 L HA 0.751 nan 4.340 nan 0.000 0.275 190 L C -2.300 174.531 176.870 -0.066 0.000 0.998 190 L CA -1.049 53.907 54.840 0.194 0.000 0.820 190 L CB 3.079 45.304 42.059 0.276 0.000 1.270 190 L HN 0.591 8.890 8.230 0.114 0.000 0.415 191 H N 5.326 124.491 119.070 0.159 0.000 2.970 191 H HA 0.315 nan 4.556 nan 0.000 0.315 191 H C -1.162 174.101 175.328 -0.108 0.000 0.992 191 H CA -1.179 54.892 56.048 0.040 0.000 1.363 191 H CB 1.927 31.699 29.762 0.016 0.000 1.532 191 H HN 0.581 9.005 8.280 0.239 0.000 0.514 192 V N 5.745 125.614 119.914 -0.077 0.000 2.370 192 V HA 0.044 nan 4.120 nan 0.000 0.257 192 V C -1.232 174.698 176.094 -0.274 0.000 1.064 192 V CA 0.599 62.675 62.300 -0.373 0.000 0.975 192 V CB -1.089 30.541 31.823 -0.322 0.000 1.067 192 V HN 0.302 8.485 8.190 -0.012 0.000 0.485 193 c N 8.981 127.386 118.600 -0.325 0.000 2.351 193 c HA 0.726 nan 4.570 nan 0.000 0.326 193 c C -1.312 172.556 174.090 -0.371 0.000 1.272 193 c CA -1.620 54.548 56.329 -0.269 0.000 1.650 193 c CB 1.188 43.572 42.510 -0.209 0.000 2.257 193 c HN 0.654 8.637 8.230 -0.412 0.000 0.505 194 I N 3.998 124.298 120.570 -0.451 0.000 2.447 194 I HA 0.544 nan 4.170 nan 0.000 0.287 194 I C -1.644 173.737 176.117 -1.227 0.000 1.023 194 I CA -0.672 60.197 61.300 -0.717 0.000 1.083 194 I CB 2.310 39.863 38.000 -0.745 0.000 1.245 194 I HN 0.244 8.225 8.210 -0.382 0.000 0.434 195 T N 3.575 117.516 114.554 -1.021 0.000 2.812 195 T HA 0.595 nan 4.350 nan 0.000 0.294 195 T C -1.483 172.983 174.700 -0.390 0.000 1.159 195 T CA -1.993 59.514 62.100 -0.988 0.000 1.008 195 T CB 3.418 72.035 68.868 -0.417 0.000 1.289 195 T HN 0.172 8.007 8.240 -0.675 0.000 0.514 196 G N -0.904 107.936 108.800 0.067 0.000 2.434 196 G HA2 -0.236 nan 3.960 nan 0.000 0.671 196 G HA3 -0.236 nan 3.960 nan 0.000 0.671 196 G C -1.864 173.226 174.900 0.316 0.000 1.280 196 G CA -0.337 44.851 45.100 0.147 0.000 0.975 196 G HN -0.007 8.432 8.290 0.248 0.000 0.510 197 D N 1.090 121.586 120.400 0.160 0.000 2.423 197 D HA -0.097 nan 4.640 nan 0.000 0.238 197 D C -0.008 176.385 176.300 0.155 0.000 1.142 197 D CA -0.174 53.895 54.000 0.114 0.000 0.884 197 D CB 0.358 41.189 40.800 0.051 0.000 1.199 197 D HN 0.099 8.527 8.370 0.097 0.000 0.438 198 D N 3.014 123.451 120.400 0.061 0.000 2.084 198 D HA -0.258 nan 4.640 nan 0.000 0.194 198 D C 2.023 178.344 176.300 0.035 0.000 0.990 198 D CA 2.899 56.908 54.000 0.016 0.000 0.826 198 D CB 0.051 40.795 40.800 -0.093 0.000 0.971 198 D HN 0.269 8.642 8.370 0.005 0.000 0.453 199 K N -1.379 119.028 120.400 0.012 0.000 2.020 199 K HA -0.213 nan 4.320 nan 0.000 0.212 199 K C -0.091 176.519 176.600 0.017 0.000 1.050 199 K CA 2.505 58.797 56.287 0.008 0.000 0.929 199 K CB 0.080 32.582 32.500 0.003 0.000 0.714 199 K HN -0.070 8.180 8.250 0.000 0.000 0.443 200 N N -5.036 113.681 118.700 0.028 0.000 2.716 200 N HA 0.084 nan 4.740 nan 0.000 0.253 200 N C -2.188 173.340 175.510 0.030 0.000 1.170 200 N CA -1.945 51.117 53.050 0.020 0.000 0.807 200 N CB 0.304 38.799 38.487 0.014 0.000 1.183 200 N HN -0.322 8.080 8.380 0.036 0.000 0.524 201 A N 2.087 124.925 122.820 0.030 0.000 2.269 201 A HA 0.583 nan 4.320 nan 0.000 0.327 201 A C -2.024 175.511 177.584 -0.083 0.000 1.112 201 A CA -1.951 50.090 52.037 0.008 0.000 0.865 201 A CB 2.541 21.595 19.000 0.091 0.000 1.227 201 A HN -0.065 8.095 8.150 0.018 0.000 0.498 202 T N -2.094 112.374 114.554 -0.143 0.000 2.926 202 T HA 0.877 nan 4.350 nan 0.000 0.289 202 T C -2.205 172.374 174.700 -0.202 0.000 1.054 202 T CA -2.130 59.895 62.100 -0.125 0.000 1.015 202 T CB 2.839 71.662 68.868 -0.075 0.000 1.167 202 T HN 0.226 8.354 8.240 -0.187 0.000 0.526 203 A N 1.757 124.507 122.820 -0.116 0.000 2.457 203 A HA 0.635 nan 4.320 nan 0.000 0.283 203 A C -1.796 175.717 177.584 -0.117 0.000 1.166 203 A CA -1.144 50.782 52.037 -0.185 0.000 0.740 203 A CB 1.878 20.799 19.000 -0.131 0.000 1.181 203 A HN 0.413 8.549 8.150 -0.022 0.000 0.446 204 S N 4.668 120.236 115.700 -0.219 0.000 2.537 204 S HA 0.502 nan 4.470 nan 0.000 0.275 204 S C -1.008 173.410 174.600 -0.302 0.000 1.272 204 S CA -0.665 57.472 58.200 -0.106 0.000 1.050 204 S CB 1.048 64.198 63.200 -0.083 0.000 0.961 204 S HN 0.440 8.585 8.310 -0.275 0.000 0.496 205 F N 5.530 125.496 119.950 0.026 0.000 2.300 205 F HA 0.304 nan 4.527 nan 0.000 0.364 205 F C -1.215 174.648 175.800 0.106 0.000 1.090 205 F CA -1.495 56.543 58.000 0.065 0.000 1.200 205 F CB -0.158 38.872 39.000 0.050 0.000 1.493 205 F HN 0.310 8.829 8.300 0.365 0.000 0.518 206 I N 3.782 124.454 120.570 0.169 0.000 2.352 206 I HA 0.168 nan 4.170 nan 0.000 0.290 206 I C -2.066 174.226 176.117 0.293 0.000 1.036 206 I CA -0.416 61.001 61.300 0.195 0.000 1.336 206 I CB 0.043 38.120 38.000 0.129 0.000 1.407 206 I HN -0.088 8.166 8.210 0.073 0.000 0.497 207 Y N 9.371 129.757 120.300 0.143 0.000 2.406 207 Y HA 0.207 nan 4.550 nan 0.000 0.340 207 Y C -1.467 174.499 175.900 0.110 0.000 0.975 207 Y CA -1.348 56.829 58.100 0.128 0.000 1.056 207 Y CB 3.602 42.127 38.460 0.109 0.000 1.210 207 Y HN 0.776 9.238 8.280 0.303 0.000 0.448 208 D N 7.938 128.000 120.400 -0.563 0.000 2.699 208 D HA -0.390 nan 4.640 nan 0.000 0.239 208 D C 0.672 176.921 176.300 -0.085 0.000 1.136 208 D CA 1.064 54.833 54.000 -0.386 0.000 0.668 208 D CB -0.624 39.939 40.800 -0.395 0.000 1.060 208 D HN 0.401 8.335 8.370 -0.727 0.000 0.429 209 G N -3.537 105.256 108.800 -0.012 0.000 2.412 209 G HA2 -0.478 nan 3.960 nan 0.000 0.252 209 G HA3 -0.478 nan 3.960 nan 0.000 0.252 209 G C -1.130 173.792 174.900 0.036 0.000 1.038 209 G CA 0.708 45.820 45.100 0.019 0.000 0.628 209 G HN 0.560 8.853 8.290 0.006 0.000 0.531 210 R N 0.061 120.595 120.500 0.057 0.000 2.486 210 R HA 0.186 nan 4.340 nan 0.000 0.286 210 R C -1.120 175.247 176.300 0.111 0.000 0.999 210 R CA -1.577 54.567 56.100 0.074 0.000 0.993 210 R CB 1.451 31.794 30.300 0.072 0.000 1.084 210 R HN -0.366 7.817 8.270 0.051 0.117 0.487 211 L N 2.880 124.157 121.223 0.090 0.000 2.407 211 L HA 0.041 nan 4.340 nan 0.000 0.282 211 L C -0.320 176.622 176.870 0.120 0.000 1.110 211 L CA 0.292 55.196 54.840 0.107 0.000 0.863 211 L CB -0.107 41.995 42.059 0.072 0.000 1.207 211 L HN 0.329 8.598 8.230 0.066 0.000 0.454 212 V N 6.368 126.379 119.914 0.162 0.000 2.825 212 V HA 0.113 nan 4.120 nan 0.000 0.246 212 V C -0.705 175.448 176.094 0.099 0.000 1.068 212 V CA 1.184 63.563 62.300 0.133 0.000 1.088 212 V CB 0.156 32.068 31.823 0.148 0.000 0.733 212 V HN 0.520 8.833 8.190 0.205 0.000 0.468 213 D N -4.150 116.337 120.400 0.144 0.000 2.779 213 D HA 0.318 nan 4.640 nan 0.000 0.331 213 D C -2.646 173.785 176.300 0.218 0.000 1.331 213 D CA -0.802 53.253 54.000 0.092 0.000 0.866 213 D CB 3.358 44.126 40.800 -0.052 0.000 1.409 213 D HN -0.715 7.789 8.370 0.224 0.000 0.486 214 S N -2.574 113.228 115.700 0.170 0.000 2.615 214 S HA 0.797 nan 4.470 nan 0.000 0.268 214 S C -1.925 172.778 174.600 0.172 0.000 1.146 214 S CA -0.736 57.639 58.200 0.293 0.000 0.818 214 S CB 2.701 65.995 63.200 0.157 0.000 1.111 214 S HN -0.017 8.322 8.310 0.049 0.000 0.465 215 I N -1.403 119.303 120.570 0.227 0.000 3.004 215 I HA 0.270 nan 4.170 nan 0.000 0.305 215 I C -1.787 174.393 176.117 0.106 0.000 1.312 215 I CA -0.958 60.439 61.300 0.161 0.000 0.992 215 I CB 4.907 43.040 38.000 0.222 0.000 1.282 215 I HN 0.037 8.403 8.210 0.260 0.000 0.449 216 G N 2.310 111.157 108.800 0.078 0.000 2.568 216 G HA2 0.481 nan 3.960 nan 0.000 0.313 216 G HA3 0.481 nan 3.960 nan 0.000 0.313 216 G C -1.904 172.972 174.900 -0.040 0.000 1.227 216 G CA -1.787 43.321 45.100 0.013 0.000 0.979 216 G HN -0.095 8.264 8.290 0.114 0.000 0.486 217 S N 0.572 116.206 115.700 -0.110 0.000 2.546 217 S HA -0.153 nan 4.470 nan 0.000 0.290 217 S C 0.672 175.222 174.600 -0.085 0.000 1.262 217 S CA 0.462 58.527 58.200 -0.225 0.000 1.083 217 S CB 0.711 63.827 63.200 -0.139 0.000 0.859 217 S HN -0.308 7.955 8.310 -0.078 0.000 0.495 218 W N 5.345 126.667 121.300 0.036 0.000 2.481 218 W HA 0.192 nan 4.660 nan 0.000 0.293 218 W C -0.419 176.114 176.519 0.023 0.000 1.201 218 W CA 0.591 57.951 57.345 0.025 0.000 1.328 218 W CB -0.336 29.136 29.460 0.021 0.000 1.112 218 W HN 0.246 7.996 8.180 -0.852 -0.081 0.546 219 S N 1.068 116.915 115.700 0.246 0.000 2.597 219 S HA 0.035 nan 4.470 nan 0.000 0.224 219 S C -0.786 173.854 174.600 0.067 0.000 0.955 219 S CA -0.208 58.111 58.200 0.199 0.000 0.933 219 S CB -0.088 63.257 63.200 0.243 0.000 0.788 219 S HN -0.689 7.966 8.310 -0.016 -0.355 0.488 220 Q N -2.399 117.412 119.800 0.017 0.000 2.434 220 Q HA -0.364 nan 4.340 nan 0.000 0.299 220 Q C -1.297 174.701 176.000 -0.003 0.000 1.286 220 Q CA 1.255 57.060 55.803 0.003 0.000 0.872 220 Q CB -1.839 26.912 28.738 0.022 0.000 1.193 220 Q HN 0.365 8.558 8.270 0.001 0.078 0.466 221 N N -2.570 116.118 118.700 -0.021 0.000 2.664 221 N HA 0.114 nan 4.740 nan 0.000 0.268 221 N C -1.315 174.185 175.510 -0.017 0.000 1.222 221 N CA -0.021 53.021 53.050 -0.014 0.000 0.805 221 N CB 1.339 39.825 38.487 -0.002 0.000 1.399 221 N HN -0.373 8.210 8.380 -0.054 -0.235 0.547 222 I N 1.597 122.167 120.570 0.001 0.000 4.981 222 I HA -0.577 nan 4.170 nan 0.000 0.126 222 I C -0.977 175.204 176.117 0.106 0.000 1.245 222 I CA 0.900 62.226 61.300 0.044 0.000 2.651 222 I CB -2.005 35.951 38.000 -0.073 0.000 2.094 222 I HN 0.199 8.292 8.210 0.001 0.117 0.323 223 L N 4.077 125.342 121.223 0.070 0.000 2.700 223 L HA -0.154 nan 4.340 nan 0.000 0.272 223 L C -0.786 176.125 176.870 0.068 0.000 1.176 223 L CA 1.451 56.224 54.840 -0.112 0.000 0.961 223 L CB 0.152 42.039 42.059 -0.288 0.000 1.249 223 L HN -0.100 8.181 8.230 0.085 0.000 0.487 224 R N 3.522 124.053 120.500 0.052 0.000 2.950 224 R HA 0.788 nan 4.340 nan 0.000 0.253 224 R C -2.050 174.284 176.300 0.056 0.000 1.168 224 R CA -2.301 53.876 56.100 0.129 0.000 1.014 224 R CB 3.726 34.127 30.300 0.168 0.000 1.228 224 R HN 0.518 8.784 8.270 -0.007 0.000 0.487 225 T N -2.640 111.955 114.554 0.067 0.000 2.598 225 T HA 0.386 nan 4.350 nan 0.000 0.289 225 T C 0.591 175.317 174.700 0.043 0.000 1.056 225 T CA -1.416 60.707 62.100 0.039 0.000 1.088 225 T CB 1.958 70.823 68.868 -0.004 0.000 1.519 225 T HN -0.209 8.093 8.240 0.104 0.000 0.488 226 Q N 0.952 120.755 119.800 0.005 0.000 2.030 226 Q HA -0.314 nan 4.340 nan 0.000 0.204 226 Q C 1.104 177.112 176.000 0.013 0.000 0.986 226 Q CA 2.931 58.732 55.803 -0.004 0.000 0.843 226 Q CB 0.477 29.183 28.738 -0.053 0.000 0.904 226 Q HN 0.449 8.712 8.270 -0.010 0.000 0.420 227 E N -5.312 114.844 120.200 -0.074 0.000 2.759 227 E HA -0.382 nan 4.350 nan 0.000 0.280 227 E C -2.230 174.220 176.600 -0.250 0.000 1.009 227 E CA 0.967 57.339 56.400 -0.047 0.000 0.849 227 E CB -1.525 28.318 29.700 0.239 0.000 1.415 227 E HN 0.003 8.289 8.360 -0.123 0.000 0.412 228 S N -4.671 110.697 115.700 -0.553 0.000 2.752 228 S HA 0.326 nan 4.470 nan 0.000 0.284 228 S C -2.197 172.032 174.600 -0.618 0.000 1.189 228 S CA -2.092 55.814 58.200 -0.490 0.000 0.835 228 S CB 1.881 65.078 63.200 -0.005 0.000 1.192 228 S HN -0.883 7.103 8.310 -0.509 0.018 0.506 229 E N -0.928 119.133 120.200 -0.232 0.000 2.227 229 E HA 0.496 nan 4.350 nan 0.000 0.282 229 E C -0.024 176.556 176.600 -0.033 0.000 1.015 229 E CA -1.243 55.096 56.400 -0.103 0.000 0.823 229 E CB 1.023 30.779 29.700 0.094 0.000 1.081 229 E HN 0.184 8.524 8.360 -0.033 0.000 0.396 230 c N 0.934 119.514 118.600 -0.034 0.000 2.633 230 c HA 0.481 nan 4.570 nan 0.000 0.345 230 c C -0.523 173.571 174.090 0.007 0.000 1.384 230 c CA -1.618 54.698 56.329 -0.022 0.000 2.418 230 c CB 0.090 42.594 42.510 -0.010 0.000 2.425 230 c HN -0.169 8.033 8.230 -0.046 0.000 0.705 231 V N -3.741 116.157 119.914 -0.026 0.000 2.876 231 V HA 0.570 nan 4.120 nan 0.000 0.312 231 V C -2.461 173.644 176.094 0.018 0.000 1.085 231 V CA -1.881 60.409 62.300 -0.018 0.000 0.945 231 V CB 4.068 35.794 31.823 -0.163 0.000 1.017 231 V HN -0.184 7.971 8.190 -0.058 0.000 0.428 232 c N 3.970 122.661 118.600 0.152 0.000 2.563 232 c HA 0.949 nan 4.570 nan 0.000 0.314 232 c C -1.311 172.955 174.090 0.293 0.000 1.199 232 c CA -2.192 54.233 56.329 0.161 0.000 1.564 232 c CB 2.496 45.101 42.510 0.159 0.000 2.173 232 c HN 0.386 8.789 8.230 0.289 0.000 0.485 233 I N 1.024 121.704 120.570 0.183 0.000 2.497 233 I HA 0.115 nan 4.170 nan 0.000 0.284 233 I C -0.699 175.488 176.117 0.117 0.000 1.060 233 I CA -0.560 60.890 61.300 0.251 0.000 1.071 233 I CB 1.765 39.912 38.000 0.245 0.000 1.216 233 I HN 0.412 8.675 8.210 0.089 0.000 0.442 234 N N 6.943 125.700 118.700 0.095 0.000 2.863 234 N HA -0.372 nan 4.740 nan 0.000 0.245 234 N C -0.703 174.566 175.510 -0.401 0.000 1.001 234 N CA 1.851 54.895 53.050 -0.011 0.000 0.901 234 N CB -0.857 37.671 38.487 0.068 0.000 1.124 234 N HN 1.185 9.667 8.380 0.169 0.000 0.582 235 G N -7.796 100.652 108.800 -0.586 0.000 2.624 235 G HA2 -0.233 nan 3.960 nan 0.000 0.190 235 G HA3 -0.233 nan 3.960 nan 0.000 0.190 235 G C -1.823 172.853 174.900 -0.374 0.000 1.008 235 G CA -0.146 44.403 45.100 -0.918 0.000 0.731 235 G HN 0.118 8.164 8.290 -0.299 0.064 0.478 236 T N 3.510 117.964 114.554 -0.167 0.000 2.799 236 T HA 0.447 nan 4.350 nan 0.000 0.286 236 T C -1.522 173.151 174.700 -0.046 0.000 0.973 236 T CA -0.155 61.913 62.100 -0.053 0.000 1.035 236 T CB 1.161 70.083 68.868 0.090 0.000 0.932 236 T HN -0.773 7.389 8.240 -0.130 0.000 0.469 237 c N 6.736 125.301 118.600 -0.059 0.000 2.345 237 c HA 0.847 nan 4.570 nan 0.000 0.323 237 c C -1.173 172.838 174.090 -0.131 0.000 1.276 237 c CA -1.192 55.105 56.329 -0.052 0.000 1.543 237 c CB 1.577 44.087 42.510 0.001 0.000 2.211 237 c HN 0.493 8.686 8.230 -0.063 0.000 0.493 238 T N 1.787 116.214 114.554 -0.212 0.000 2.756 238 T HA 0.423 nan 4.350 nan 0.000 0.290 238 T C -1.570 173.006 174.700 -0.206 0.000 0.985 238 T CA -1.858 60.018 62.100 -0.373 0.000 0.955 238 T CB 0.765 69.204 68.868 -0.716 0.000 0.930 238 T HN 0.581 8.724 8.240 -0.162 0.000 0.451 239 V N 6.201 126.043 119.914 -0.119 0.000 2.513 239 V HA 0.640 nan 4.120 nan 0.000 0.299 239 V C -2.481 173.609 176.094 -0.006 0.000 1.035 239 V CA -1.957 60.325 62.300 -0.029 0.000 0.889 239 V CB 3.810 35.667 31.823 0.057 0.000 0.988 239 V HN -0.148 7.972 8.190 -0.117 0.000 0.440 240 V N 4.422 124.338 119.914 0.003 0.000 2.370 240 V HA 0.804 nan 4.120 nan 0.000 0.283 240 V C -1.340 174.810 176.094 0.093 0.000 1.023 240 V CA -2.611 59.716 62.300 0.045 0.000 0.857 240 V CB 0.443 32.276 31.823 0.016 0.000 0.985 240 V HN 0.188 8.371 8.190 -0.011 0.000 0.443 241 M N 7.762 127.471 119.600 0.181 0.000 2.777 241 M HA 0.681 nan 4.480 nan 0.000 0.307 241 M C -1.091 175.383 176.300 0.290 0.000 1.228 241 M CA -1.126 54.298 55.300 0.208 0.000 0.871 241 M CB 4.704 37.454 32.600 0.250 0.000 1.721 241 M HN 0.676 9.099 8.290 0.222 0.000 0.487 242 T N 0.539 115.226 114.554 0.221 0.000 2.864 242 T HA 0.705 nan 4.350 nan 0.000 0.299 242 T C -2.549 172.232 174.700 0.134 0.000 1.166 242 T CA -0.274 61.974 62.100 0.247 0.000 1.007 242 T CB 3.244 72.165 68.868 0.089 0.000 1.219 242 T HN 0.248 8.562 8.240 0.124 0.000 0.506 243 D N 0.138 120.653 120.400 0.193 0.000 2.614 243 D HA 0.347 nan 4.640 nan 0.000 0.203 243 D C -1.555 174.836 176.300 0.152 0.000 1.312 243 D CA -0.332 53.670 54.000 0.004 0.000 0.889 243 D CB 2.194 42.682 40.800 -0.519 0.000 1.615 243 D HN -0.096 8.475 8.370 0.334 0.000 0.567 244 G N 4.510 113.360 108.800 0.084 0.000 4.371 244 G HA2 -0.042 nan 3.960 nan 0.000 0.160 244 G HA3 -0.042 nan 3.960 nan 0.000 0.160 244 G C -2.334 172.585 174.900 0.032 0.000 1.271 244 G CA 1.306 46.457 45.100 0.086 0.000 0.982 244 G HN -0.309 8.009 8.290 0.047 0.000 0.318 245 S N -0.179 115.545 115.700 0.039 0.000 2.581 245 S HA 0.071 nan 4.470 nan 0.000 0.306 245 S C -0.391 174.221 174.600 0.020 0.000 1.080 245 S CA -0.193 57.993 58.200 -0.023 0.000 0.925 245 S CB 0.571 63.696 63.200 -0.125 0.000 1.128 245 S HN -0.683 7.686 8.310 0.099 0.000 0.451 246 A N 6.013 128.846 122.820 0.022 0.000 1.870 246 A HA -0.235 nan 4.320 nan 0.000 0.219 246 A C 0.017 177.583 177.584 -0.030 0.000 1.224 246 A CA 2.579 54.664 52.037 0.080 0.000 0.650 246 A CB 0.021 19.045 19.000 0.040 0.000 0.836 246 A HN 0.544 8.693 8.150 -0.002 0.000 0.454 247 S N -1.243 114.350 115.700 -0.178 0.000 2.665 247 S HA 0.146 nan 4.470 nan 0.000 0.230 247 S C -1.063 173.132 174.600 -0.675 0.000 1.326 247 S CA 0.053 58.055 58.200 -0.330 0.000 1.055 247 S CB -0.585 62.567 63.200 -0.081 0.000 1.178 247 S HN -0.022 8.211 8.310 -0.129 0.000 0.489 248 G N 1.080 109.137 108.800 -1.238 0.000 2.325 248 G HA2 -0.094 nan 3.960 nan 0.000 0.297 248 G HA3 -0.094 nan 3.960 nan 0.000 0.297 248 G C -3.354 170.821 174.900 -1.208 0.000 1.448 248 G CA 0.196 44.418 45.100 -1.464 0.000 0.838 248 G HN -0.810 6.696 8.290 -1.307 0.000 0.579 249 R N -0.981 118.912 120.500 -1.011 0.000 2.473 249 R HA -0.150 nan 4.340 nan 0.000 0.315 249 R C -1.148 175.100 176.300 -0.087 0.000 0.972 249 R CA 0.674 56.558 56.100 -0.360 0.000 1.047 249 R CB -0.432 29.800 30.300 -0.113 0.000 0.932 249 R HN 0.112 7.765 8.270 -1.027 0.000 0.411 250 A N 6.599 129.474 122.820 0.091 0.000 2.299 250 A HA 0.267 nan 4.320 nan 0.000 0.332 250 A C -1.914 175.754 177.584 0.140 0.000 1.131 250 A CA -1.911 50.204 52.037 0.131 0.000 0.844 250 A CB 2.653 21.748 19.000 0.158 0.000 1.251 250 A HN 0.308 8.574 8.150 0.193 0.000 0.486 251 D N 0.538 121.050 120.400 0.188 0.000 2.467 251 D HA 0.164 nan 4.640 nan 0.000 0.220 251 D C -0.990 175.457 176.300 0.245 0.000 1.103 251 D CA -1.068 53.035 54.000 0.173 0.000 0.886 251 D CB 0.721 41.640 40.800 0.199 0.000 1.025 251 D HN -0.035 8.472 8.370 0.229 0.000 0.514 252 T N 6.050 120.684 114.554 0.134 0.000 2.867 252 T HA 0.711 nan 4.350 nan 0.000 0.282 252 T C -1.273 173.460 174.700 0.055 0.000 1.000 252 T CA -0.398 61.790 62.100 0.147 0.000 1.042 252 T CB 1.273 70.191 68.868 0.083 0.000 0.973 252 T HN -0.003 8.291 8.240 0.091 0.000 0.465 253 R N 1.387 121.936 120.500 0.082 0.000 2.781 253 R HA 0.950 nan 4.340 nan 0.000 0.269 253 R C -2.005 174.347 176.300 0.086 0.000 1.025 253 R CA -1.340 54.743 56.100 -0.029 0.000 0.914 253 R CB 4.668 34.774 30.300 -0.323 0.000 1.236 253 R HN 0.895 9.294 8.270 0.216 0.000 0.465 254 I N -0.142 120.493 120.570 0.107 0.000 2.447 254 I HA 0.582 nan 4.170 nan 0.000 0.287 254 I C -1.378 174.889 176.117 0.250 0.000 1.023 254 I CA -1.061 60.328 61.300 0.148 0.000 1.083 254 I CB 1.460 39.547 38.000 0.146 0.000 1.245 254 I HN 0.524 8.791 8.210 0.094 0.000 0.434 255 L N 4.475 125.797 121.223 0.165 0.000 2.379 255 L HA 0.628 nan 4.340 nan 0.000 0.269 255 L C -0.519 176.421 176.870 0.116 0.000 1.084 255 L CA -0.555 54.409 54.840 0.207 0.000 0.802 255 L CB 1.091 43.229 42.059 0.131 0.000 1.175 255 L HN 0.486 8.786 8.230 0.118 0.000 0.448 256 F N -0.328 119.550 119.950 -0.119 0.000 2.530 256 F HA 0.239 nan 4.527 nan 0.000 0.318 256 F C -0.518 175.189 175.800 -0.154 0.000 1.356 256 F CA -2.173 55.735 58.000 -0.154 0.000 1.135 256 F CB -0.633 38.164 39.000 -0.339 0.000 1.315 256 F HN 0.165 8.659 8.300 0.324 0.000 0.549 257 I N 2.477 123.037 120.570 -0.018 0.000 2.664 257 I HA -0.147 nan 4.170 nan 0.000 0.284 257 I C -1.963 174.108 176.117 -0.076 0.000 1.154 257 I CA 0.763 62.014 61.300 -0.082 0.000 1.402 257 I CB 0.572 38.558 38.000 -0.022 0.000 1.395 257 I HN -0.223 7.979 8.210 -0.014 0.000 0.545 258 E N 10.349 130.485 120.200 -0.107 0.000 2.400 258 E HA 0.070 nan 4.350 nan 0.000 0.232 258 E C -1.537 174.921 176.600 -0.236 0.000 0.988 258 E CA -1.308 55.010 56.400 -0.136 0.000 0.823 258 E CB 0.144 29.804 29.700 -0.067 0.000 1.246 258 E HN 0.448 8.652 8.360 -0.110 0.091 0.441 259 E N 5.986 125.934 120.200 -0.420 0.000 2.267 259 E HA -0.249 nan 4.350 nan 0.000 0.237 259 E C -0.393 175.783 176.600 -0.706 0.000 1.170 259 E CA -0.201 55.683 56.400 -0.861 0.000 0.704 259 E CB -0.650 28.772 29.700 -0.463 0.000 1.234 259 E HN 0.425 8.563 8.360 -0.369 0.000 0.397 260 G N -2.613 105.899 108.800 -0.480 0.000 2.550 260 G HA2 -0.487 nan 3.960 nan 0.000 0.233 260 G HA3 -0.487 nan 3.960 nan 0.000 0.233 260 G C -0.793 174.084 174.900 -0.038 0.000 1.170 260 G CA 0.727 45.799 45.100 -0.047 0.000 0.693 260 G HN 0.375 8.386 8.290 -0.465 0.000 0.512 261 K N 2.803 123.135 120.400 -0.114 0.000 2.227 261 K HA 0.126 nan 4.320 nan 0.000 0.280 261 K C -0.466 176.027 176.600 -0.178 0.000 1.041 261 K CA -1.861 54.348 56.287 -0.131 0.000 0.905 261 K CB 0.495 32.945 32.500 -0.084 0.000 1.068 261 K HN -0.649 7.413 8.250 -0.151 0.098 0.470 262 I N 7.788 128.197 120.570 -0.268 0.000 2.574 262 I HA -0.247 nan 4.170 nan 0.000 0.291 262 I C 0.450 176.481 176.117 -0.144 0.000 1.131 262 I CA 1.593 62.741 61.300 -0.254 0.000 1.352 262 I CB -1.212 36.581 38.000 -0.345 0.000 1.431 262 I HN -0.100 8.184 8.210 -0.317 -0.264 0.543 263 V N 2.100 121.956 119.914 -0.096 0.000 3.573 263 V HA 0.048 nan 4.120 nan 0.000 0.270 263 V C -1.004 175.034 176.094 -0.093 0.000 1.221 263 V CA 0.094 62.351 62.300 -0.073 0.000 1.163 263 V CB -0.361 31.445 31.823 -0.029 0.000 0.847 263 V HN 0.342 8.484 8.190 -0.080 0.000 0.468 264 H N -2.624 116.271 119.070 -0.291 0.000 2.915 264 H HA 0.227 nan 4.556 nan 0.000 0.263 264 H C -2.769 172.378 175.328 -0.303 0.000 1.373 264 H CA 0.359 56.149 56.048 -0.430 0.000 1.354 264 H CB 2.774 31.934 29.762 -1.004 0.000 1.866 264 H HN -0.687 7.475 8.280 -0.089 0.065 0.479 265 I N 2.275 122.603 120.570 -0.405 0.000 2.607 265 I HA 0.295 nan 4.170 nan 0.000 0.290 265 I C -1.510 174.498 176.117 -0.183 0.000 1.129 265 I CA -0.497 60.714 61.300 -0.149 0.000 1.042 265 I CB 3.743 41.627 38.000 -0.193 0.000 1.242 265 I HN 0.177 7.805 8.210 -0.970 0.000 0.421 266 S N 6.414 122.132 115.700 0.030 0.000 2.594 266 S HA 0.529 nan 4.470 nan 0.000 0.296 266 S C -2.316 172.289 174.600 0.007 0.000 1.124 266 S CA -2.752 55.470 58.200 0.037 0.000 1.011 266 S CB 1.643 64.924 63.200 0.135 0.000 1.016 266 S HN 0.389 8.797 8.310 0.163 0.000 0.485 267 P HA 0.163 nan 4.420 nan 0.000 0.272 267 P C -1.482 175.817 177.300 -0.002 0.000 1.223 267 P CA -0.465 62.594 63.100 -0.069 0.000 0.784 267 P CB 0.691 32.337 31.700 -0.091 0.000 0.923 268 L N 1.457 122.685 121.223 0.007 0.000 2.499 268 L HA -0.101 nan 4.340 nan 0.000 0.273 268 L C -1.128 175.765 176.870 0.039 0.000 1.195 268 L CA 0.595 55.457 54.840 0.036 0.000 0.882 268 L CB 0.327 42.412 42.059 0.043 0.000 1.133 268 L HN -0.053 8.170 8.230 -0.013 0.000 0.483 269 A N 6.110 128.958 122.820 0.046 0.000 3.322 269 A HA 0.295 nan 4.320 nan 0.000 0.201 269 A C -0.683 176.933 177.584 0.053 0.000 1.668 269 A CA -1.269 50.795 52.037 0.045 0.000 0.861 269 A CB 1.344 20.370 19.000 0.044 0.000 1.769 269 A HN 0.187 8.368 8.150 0.052 0.000 0.578 270 G N -2.483 106.348 108.800 0.051 0.000 2.726 270 G HA2 -0.402 nan 3.960 nan 0.000 0.261 270 G HA3 -0.402 nan 3.960 nan 0.000 0.261 270 G C 0.657 175.604 174.900 0.077 0.000 1.352 270 G CA 1.042 46.178 45.100 0.059 0.000 0.906 270 G HN -0.195 8.122 8.290 0.044 0.000 0.566 271 S N 1.975 117.733 115.700 0.097 0.000 2.414 271 S HA -0.233 nan 4.470 nan 0.000 0.227 271 S C 0.808 175.544 174.600 0.226 0.000 1.022 271 S CA 0.437 58.716 58.200 0.132 0.000 0.958 271 S CB 0.424 63.693 63.200 0.114 0.000 0.797 271 S HN -0.176 8.189 8.310 0.091 0.000 0.493 272 A N 1.138 124.109 122.820 0.252 0.000 2.615 272 A HA -0.238 nan 4.320 nan 0.000 0.240 272 A C 0.742 178.492 177.584 0.276 0.000 1.003 272 A CA 1.348 53.530 52.037 0.242 0.000 0.778 272 A CB 0.313 19.304 19.000 -0.014 0.000 0.907 272 A HN -0.583 7.676 8.150 0.182 0.000 0.507 273 Q N 1.482 121.517 119.800 0.392 0.000 2.319 273 Q HA -0.066 nan 4.340 nan 0.000 0.202 273 Q C -0.828 175.492 176.000 0.533 0.000 0.896 273 Q CA -0.322 55.722 55.803 0.403 0.000 0.942 273 Q CB 0.981 29.919 28.738 0.333 0.000 1.083 273 Q HN 0.061 8.661 8.270 0.549 0.000 0.510 274 H N -3.717 115.494 119.070 0.235 0.000 5.810 274 H HA -0.028 nan 4.556 nan 0.000 0.852 274 H C -2.264 173.124 175.328 0.099 0.000 1.981 274 H CA -0.221 55.948 56.048 0.202 0.000 1.496 274 H CB 0.219 30.168 29.762 0.312 0.000 4.253 274 H HN -0.520 7.911 8.280 0.252 0.000 0.653 275 V N 5.458 125.323 119.914 -0.082 0.000 2.508 275 V HA 0.037 nan 4.120 nan 0.000 0.281 275 V C -1.151 174.820 176.094 -0.204 0.000 1.041 275 V CA 0.600 62.831 62.300 -0.115 0.000 1.016 275 V CB 0.114 31.906 31.823 -0.051 0.000 0.984 275 V HN 0.407 8.587 8.190 -0.017 0.000 0.478 276 E N 6.084 126.198 120.200 -0.143 0.000 2.340 276 E HA 0.305 nan 4.350 nan 0.000 0.273 276 E C -1.474 175.110 176.600 -0.025 0.000 0.891 276 E CA -1.826 54.513 56.400 -0.101 0.000 0.757 276 E CB 4.519 34.163 29.700 -0.094 0.000 1.231 276 E HN -0.044 8.259 8.360 -0.095 0.000 0.439 277 E N -1.798 118.412 120.200 0.017 0.000 1.822 277 E HA -0.476 nan 4.350 nan 0.000 0.168 277 E C -0.996 175.622 176.600 0.031 0.000 1.351 277 E CA 0.538 56.965 56.400 0.045 0.000 0.547 277 E CB -2.198 27.560 29.700 0.098 0.000 1.036 277 E HN 0.494 8.869 8.360 0.024 0.000 0.280 278 c N 0.340 118.954 118.600 0.024 0.000 2.689 278 c HA 0.043 nan 4.570 nan 0.000 0.409 278 c C 0.680 174.809 174.090 0.064 0.000 1.293 278 c CA 0.419 56.767 56.329 0.032 0.000 2.136 278 c CB 0.253 42.770 42.510 0.011 0.000 2.719 278 c HN 0.312 8.553 8.230 0.018 0.000 0.644 279 S N 3.005 118.773 115.700 0.113 0.000 2.532 279 S HA 0.336 nan 4.470 nan 0.000 0.318 279 S C -1.605 173.113 174.600 0.197 0.000 1.083 279 S CA -0.187 58.128 58.200 0.192 0.000 1.131 279 S CB 0.548 63.922 63.200 0.289 0.000 0.973 279 S HN 0.037 8.413 8.310 0.110 0.000 0.468 280 c N 6.128 124.805 118.600 0.129 0.000 2.399 280 c HA 0.798 nan 4.570 nan 0.000 0.348 280 c C -1.602 172.564 174.090 0.127 0.000 1.183 280 c CA -1.345 55.010 56.329 0.043 0.000 2.023 280 c CB 2.220 44.694 42.510 -0.060 0.000 2.361 280 c HN 0.273 8.564 8.230 0.103 0.000 0.521 281 Y N -2.809 117.435 120.300 -0.093 0.000 2.558 281 Y HA 0.451 nan 4.550 nan 0.000 0.333 281 Y C -3.229 172.515 175.900 -0.262 0.000 1.125 281 Y CA -3.502 54.481 58.100 -0.196 0.000 1.039 281 Y CB 0.133 38.497 38.460 -0.161 0.000 1.331 281 Y HN 0.575 8.607 8.280 -0.413 0.000 0.456 282 P HA 0.186 nan 4.420 nan 0.000 0.268 282 P C -1.249 176.000 177.300 -0.085 0.000 1.204 282 P CA 0.406 63.299 63.100 -0.345 0.000 0.768 282 P CB 0.519 31.692 31.700 -0.878 0.000 0.842 283 R N 2.074 122.546 120.500 -0.047 0.000 2.674 283 R HA 0.320 nan 4.340 nan 0.000 0.270 283 R C -0.554 175.778 176.300 0.054 0.000 1.492 283 R CA -2.481 53.636 56.100 0.029 0.000 1.624 283 R CB 0.930 31.206 30.300 -0.040 0.000 1.307 283 R HN 0.680 8.798 8.270 -0.090 0.098 0.683 284 Y N 3.878 124.189 120.300 0.019 0.000 3.079 284 Y HA -0.309 nan 4.550 nan 0.000 0.368 284 Y C -1.338 174.585 175.900 0.038 0.000 1.224 284 Y CA 0.302 58.432 58.100 0.050 0.000 1.599 284 Y CB 0.067 38.583 38.460 0.094 0.000 1.098 284 Y HN 0.249 8.678 8.280 0.248 0.000 0.588 285 P HA 0.201 nan 4.420 nan 0.000 0.254 285 P C -1.865 175.245 177.300 -0.317 0.000 1.494 285 P CA -0.227 62.291 63.100 -0.970 0.000 0.961 285 P CB 0.553 31.670 31.700 -0.971 0.000 1.493 286 G N -0.644 108.051 108.800 -0.175 0.000 3.175 286 G HA2 0.581 nan 3.960 nan 0.000 0.255 286 G HA3 0.581 nan 3.960 nan 0.000 0.255 286 G C -2.784 172.051 174.900 -0.108 0.000 1.352 286 G CA -1.418 43.619 45.100 -0.105 0.000 1.037 286 G HN -0.357 7.646 8.290 -0.155 0.195 0.556 287 V N -1.894 117.940 119.914 -0.133 0.000 2.709 287 V HA 0.757 nan 4.120 nan 0.000 0.308 287 V C -2.089 173.842 176.094 -0.271 0.000 1.062 287 V CA -1.228 60.947 62.300 -0.209 0.000 0.901 287 V CB 3.271 34.982 31.823 -0.187 0.000 1.003 287 V HN 0.032 8.160 8.190 -0.104 0.000 0.425 288 R N 4.368 124.566 120.500 -0.504 0.000 2.670 288 R HA 0.790 nan 4.340 nan 0.000 0.289 288 R C -2.221 173.711 176.300 -0.613 0.000 0.965 288 R CA -1.925 53.838 56.100 -0.563 0.000 0.899 288 R CB 4.109 33.995 30.300 -0.690 0.000 1.173 288 R HN 0.815 8.688 8.270 -0.661 0.000 0.456 289 c N 5.126 123.569 118.600 -0.261 0.000 2.381 289 c HA 0.632 nan 4.570 nan 0.000 0.328 289 c C -0.999 173.109 174.090 0.031 0.000 1.190 289 c CA -1.109 55.162 56.329 -0.097 0.000 1.369 289 c CB 1.437 43.911 42.510 -0.061 0.000 2.029 289 c HN 0.201 8.333 8.230 -0.163 0.000 0.448 290 I N 5.138 125.793 120.570 0.143 0.000 2.325 290 I HA 0.423 nan 4.170 nan 0.000 0.291 290 I C -1.012 175.152 176.117 0.078 0.000 1.019 290 I CA -0.555 60.826 61.300 0.134 0.000 1.302 290 I CB 0.135 38.251 38.000 0.193 0.000 1.401 290 I HN -0.051 8.297 8.210 0.230 0.000 0.485 291 c N 7.521 126.127 118.600 0.010 0.000 2.942 291 c HA 0.819 nan 4.570 nan 0.000 0.353 291 c C -0.755 173.317 174.090 -0.031 0.000 2.933 291 c CA -2.286 54.037 56.329 -0.009 0.000 1.840 291 c CB 2.752 45.242 42.510 -0.034 0.000 2.833 291 c HN 0.732 8.838 8.230 -0.019 0.113 0.440 292 R N 0.455 120.933 120.500 -0.035 0.000 2.944 292 R HA 0.453 nan 4.340 nan 0.000 0.233 292 R C -2.090 174.219 176.300 0.015 0.000 1.346 292 R CA -0.941 55.149 56.100 -0.018 0.000 1.082 292 R CB 2.803 33.092 30.300 -0.018 0.000 1.434 292 R HN 0.140 8.388 8.270 -0.037 0.000 0.510 293 D N -1.509 118.953 120.400 0.103 0.000 2.296 293 D HA 0.096 nan 4.640 nan 0.000 0.224 293 D C -1.305 175.171 176.300 0.293 0.000 1.324 293 D CA 0.478 54.623 54.000 0.242 0.000 0.940 293 D CB 1.411 42.327 40.800 0.194 0.000 1.492 293 D HN 0.193 8.616 8.370 0.089 0.000 0.531 294 N N 5.281 124.255 118.700 0.458 0.000 2.463 294 N HA -0.001 nan 4.740 nan 0.000 0.181 294 N C 1.088 176.728 175.510 0.218 0.000 1.078 294 N CA 1.497 54.729 53.050 0.303 0.000 0.902 294 N CB 0.527 39.216 38.487 0.336 0.000 0.970 294 N HN 0.239 9.059 8.380 0.733 0.000 0.451 295 W N 1.369 122.627 121.300 -0.070 0.000 2.573 295 W HA -0.111 nan 4.660 nan 0.000 0.317 295 W C -1.345 175.149 176.519 -0.042 0.000 1.128 295 W CA 1.577 58.814 57.345 -0.180 0.000 1.407 295 W CB 1.379 30.658 29.460 -0.301 0.000 1.201 295 W HN -0.519 7.979 8.180 0.400 -0.078 0.474 296 K N -5.194 115.259 120.400 0.089 0.000 3.394 296 K HA 0.290 nan 4.320 nan 0.000 0.175 296 K C -1.828 174.760 176.600 -0.020 0.000 1.047 296 K CA -1.028 55.210 56.287 -0.082 0.000 0.814 296 K CB 0.178 32.445 32.500 -0.388 0.000 0.803 296 K HN -0.445 8.081 8.250 0.175 -0.170 0.522 297 G N -1.787 107.064 108.800 0.085 0.000 2.742 297 G HA2 0.332 nan 3.960 nan 0.000 0.296 297 G HA3 0.332 nan 3.960 nan 0.000 0.296 297 G C -2.075 172.890 174.900 0.110 0.000 1.436 297 G CA 0.335 45.505 45.100 0.117 0.000 0.928 297 G HN -0.778 7.515 8.290 0.119 0.069 0.520 298 S N -0.460 115.286 115.700 0.077 0.000 2.539 298 S HA 0.058 nan 4.470 nan 0.000 0.226 298 S C -0.822 173.811 174.600 0.055 0.000 1.054 298 S CA 0.312 58.541 58.200 0.049 0.000 0.910 298 S CB 1.428 64.640 63.200 0.019 0.000 0.818 298 S HN -0.014 8.566 8.310 0.062 -0.233 0.490 299 N N 0.842 119.599 118.700 0.094 0.000 2.530 299 N HA -0.127 nan 4.740 nan 0.000 0.273 299 N C -0.747 174.854 175.510 0.151 0.000 1.173 299 N CA -0.523 52.595 53.050 0.113 0.000 0.967 299 N CB 0.326 38.888 38.487 0.126 0.000 1.109 299 N HN -0.415 8.028 8.380 0.105 0.000 0.453 300 R N 0.245 120.784 120.500 0.064 0.000 2.340 300 R HA 0.174 nan 4.340 nan 0.000 0.300 300 R C -1.842 174.391 176.300 -0.111 0.000 1.069 300 R CA -2.104 53.990 56.100 -0.010 0.000 0.984 300 R CB 0.045 30.329 30.300 -0.026 0.000 1.003 300 R HN 0.264 8.561 8.270 0.045 0.000 0.459 301 P HA 0.059 nan 4.420 nan 0.000 0.270 301 P C -1.634 175.555 177.300 -0.184 0.000 1.223 301 P CA 0.492 63.273 63.100 -0.532 0.000 0.785 301 P CB 0.413 31.844 31.700 -0.447 0.000 0.923 302 V N 0.336 120.175 119.914 -0.125 0.000 2.612 302 V HA 0.399 nan 4.120 nan 0.000 0.301 302 V C -1.450 174.650 176.094 0.010 0.000 1.059 302 V CA -0.276 62.038 62.300 0.024 0.000 0.886 302 V CB 3.245 35.157 31.823 0.148 0.000 1.007 302 V HN 0.178 8.250 8.190 -0.196 0.000 0.426 303 V N 7.111 127.027 119.914 0.002 0.000 2.304 303 V HA 0.385 nan 4.120 nan 0.000 0.278 303 V C -1.204 174.883 176.094 -0.013 0.000 1.018 303 V CA -1.667 60.632 62.300 -0.002 0.000 0.814 303 V CB 1.014 32.829 31.823 -0.013 0.000 1.021 303 V HN 0.702 8.781 8.190 -0.004 0.108 0.440 304 D N 8.685 129.094 120.400 0.014 0.000 2.249 304 D HA 0.397 nan 4.640 nan 0.000 0.246 304 D C -1.327 174.980 176.300 0.012 0.000 1.114 304 D CA -0.144 53.855 54.000 -0.002 0.000 0.854 304 D CB 1.665 42.486 40.800 0.034 0.000 1.132 304 D HN -0.171 8.221 8.370 0.036 0.000 0.461 305 I N 3.444 124.008 120.570 -0.010 0.000 2.378 305 I HA 0.188 nan 4.170 nan 0.000 0.291 305 I C -1.782 174.363 176.117 0.046 0.000 0.992 305 I CA -1.724 59.602 61.300 0.044 0.000 1.154 305 I CB 1.445 39.440 38.000 -0.009 0.000 1.315 305 I HN 0.439 8.615 8.210 -0.057 0.000 0.448 306 N N 6.674 125.428 118.700 0.090 0.000 2.419 306 N HA 0.233 nan 4.740 nan 0.000 0.264 306 N C 0.459 176.036 175.510 0.112 0.000 1.031 306 N CA -0.711 52.368 53.050 0.048 0.000 0.951 306 N CB 1.389 39.888 38.487 0.020 0.000 1.101 306 N HN -0.371 8.085 8.380 0.126 0.000 0.488 307 M N 4.817 124.455 119.600 0.062 0.000 2.254 307 M HA -0.197 nan 4.480 nan 0.000 0.265 307 M C 1.366 177.684 176.300 0.031 0.000 1.066 307 M CA 2.251 57.625 55.300 0.123 0.000 1.123 307 M CB -1.068 31.566 32.600 0.057 0.000 1.388 307 M HN 0.204 8.491 8.290 -0.005 0.000 0.425 308 E N -1.003 119.161 120.200 -0.060 0.000 2.038 308 E HA -0.226 nan 4.350 nan 0.000 0.195 308 E C 0.706 177.147 176.600 -0.266 0.000 1.000 308 E CA 2.613 58.930 56.400 -0.138 0.000 0.803 308 E CB -0.109 29.522 29.700 -0.115 0.000 0.750 308 E HN -0.159 8.189 8.360 -0.054 -0.020 0.448 309 D N -4.449 115.809 120.400 -0.236 0.000 2.479 309 D HA 0.060 nan 4.640 nan 0.000 0.218 309 D C -0.175 175.910 176.300 -0.358 0.000 1.177 309 D CA -0.723 53.068 54.000 -0.349 0.000 0.830 309 D CB -0.038 40.645 40.800 -0.194 0.000 1.014 309 D HN -0.027 8.688 8.370 -0.132 -0.425 0.503 310 Y N -5.340 114.805 120.300 -0.259 0.000 4.907 310 Y HA -0.467 nan 4.550 nan 0.000 0.246 310 Y C -0.326 175.428 175.900 -0.244 0.000 0.968 310 Y CA 0.507 58.277 58.100 -0.549 0.000 1.961 310 Y CB -2.808 34.894 38.460 -1.264 0.000 1.487 310 Y HN -0.356 7.869 8.280 -0.091 0.000 0.575 311 S N 0.904 116.633 115.700 0.048 0.000 2.634 311 S HA 0.032 nan 4.470 nan 0.000 0.254 311 S C -0.110 174.566 174.600 0.126 0.000 1.299 311 S CA 1.076 59.314 58.200 0.064 0.000 0.974 311 S CB 0.957 64.174 63.200 0.028 0.000 1.001 311 S HN -0.468 8.023 8.310 0.013 -0.173 0.584 312 I N -2.728 117.896 120.570 0.090 0.000 3.004 312 I HA 0.228 nan 4.170 nan 0.000 0.305 312 I C -1.706 174.447 176.117 0.060 0.000 1.312 312 I CA -0.287 61.067 61.300 0.090 0.000 0.992 312 I CB 3.941 41.999 38.000 0.098 0.000 1.282 312 I HN -0.260 7.989 8.210 0.064 0.000 0.449 313 D N 1.298 121.731 120.400 0.055 0.000 2.622 313 D HA 0.317 nan 4.640 nan 0.000 0.255 313 D C -2.514 173.817 176.300 0.051 0.000 1.246 313 D CA -1.214 52.816 54.000 0.050 0.000 0.795 313 D CB 3.628 44.457 40.800 0.049 0.000 1.369 313 D HN -0.033 8.370 8.370 0.056 0.000 0.425 314 S N -1.427 114.305 115.700 0.054 0.000 2.587 314 S HA 0.730 nan 4.470 nan 0.000 0.269 314 S C -1.544 173.099 174.600 0.072 0.000 1.154 314 S CA -0.853 57.378 58.200 0.052 0.000 0.824 314 S CB 2.816 66.040 63.200 0.040 0.000 1.118 314 S HN 0.022 8.365 8.310 0.055 0.000 0.462 315 S N -1.888 113.858 115.700 0.076 0.000 2.979 315 S HA 0.627 nan 4.470 nan 0.000 0.302 315 S C -2.270 172.445 174.600 0.192 0.000 1.250 315 S CA 0.021 58.317 58.200 0.160 0.000 1.148 315 S CB 1.245 64.485 63.200 0.067 0.000 1.409 315 S HN 0.632 8.959 8.310 0.028 0.000 0.517 316 Y N -2.259 118.009 120.300 -0.053 0.000 2.609 316 Y HA 0.499 nan 4.550 nan 0.000 0.342 316 Y C -0.427 175.408 175.900 -0.108 0.000 1.058 316 Y CA -0.347 57.725 58.100 -0.047 0.000 1.055 316 Y CB 3.766 42.199 38.460 -0.044 0.000 1.292 316 Y HN -0.247 8.077 8.280 0.209 0.082 0.476 317 V N -3.682 116.285 119.914 0.088 0.000 2.715 317 V HA 0.175 nan 4.120 nan 0.000 0.299 317 V C 0.009 176.065 176.094 -0.063 0.000 1.054 317 V CA -1.118 61.169 62.300 -0.022 0.000 1.077 317 V CB 0.150 32.015 31.823 0.069 0.000 0.972 317 V HN 0.642 8.909 8.190 0.128 0.000 0.484 318 c N 3.350 121.848 118.600 -0.169 0.000 2.435 318 c HA -0.221 nan 4.570 nan 0.000 0.279 318 c C 0.749 174.794 174.090 -0.074 0.000 1.321 318 c CA 2.385 58.627 56.329 -0.145 0.000 1.752 318 c CB -1.079 41.305 42.510 -0.209 0.000 1.959 318 c HN 0.966 9.022 8.230 -0.289 0.000 0.500 319 S N -0.475 115.202 115.700 -0.038 0.000 2.715 319 S HA -0.427 nan 4.470 nan 0.000 0.318 319 S C 0.835 175.422 174.600 -0.022 0.000 1.242 319 S CA 1.369 59.560 58.200 -0.015 0.000 1.044 319 S CB 0.472 63.682 63.200 0.016 0.000 0.760 319 S HN -0.656 7.614 8.310 -0.030 0.022 0.501 320 G N 5.480 114.261 108.800 -0.031 0.000 2.539 320 G HA2 0.048 nan 3.960 nan 0.000 0.215 320 G HA3 0.048 nan 3.960 nan 0.000 0.215 320 G C 0.809 175.688 174.900 -0.035 0.000 1.141 320 G CA 0.946 46.023 45.100 -0.039 0.000 0.806 320 G HN 0.913 9.097 8.290 -0.031 0.088 0.533 321 L N -0.421 120.787 121.223 -0.026 0.000 1.994 321 L HA -0.162 nan 4.340 nan 0.000 0.208 321 L C 0.474 177.348 176.870 0.007 0.000 1.071 321 L CA 1.909 56.735 54.840 -0.023 0.000 0.745 321 L CB -0.513 41.541 42.059 -0.008 0.000 0.892 321 L HN -0.733 7.463 8.230 -0.019 0.023 0.431 322 V N -3.489 116.437 119.914 0.020 0.000 3.501 322 V HA -0.274 nan 4.120 nan 0.000 0.501 322 V C -1.451 174.637 176.094 -0.009 0.000 0.682 322 V CA 0.899 63.201 62.300 0.003 0.000 2.051 322 V CB 0.009 31.830 31.823 -0.004 0.000 2.483 322 V HN -0.447 7.761 8.190 0.029 0.000 0.508 323 G N 3.646 112.417 108.800 -0.049 0.000 3.405 323 G HA2 0.273 nan 3.960 nan 0.000 0.318 323 G HA3 0.273 nan 3.960 nan 0.000 0.318 323 G C -2.718 172.115 174.900 -0.113 0.000 1.597 323 G CA -0.137 44.900 45.100 -0.106 0.000 1.022 323 G HN 0.177 8.441 8.290 -0.043 0.000 0.506 324 D N 2.161 122.517 120.400 -0.072 0.000 2.958 324 D HA 0.203 nan 4.640 nan 0.000 0.306 324 D C -2.331 173.943 176.300 -0.043 0.000 1.226 324 D CA -1.878 52.090 54.000 -0.052 0.000 1.032 324 D CB 2.904 43.697 40.800 -0.011 0.000 1.400 324 D HN -0.303 8.033 8.370 -0.057 0.000 0.587 325 T N 0.215 114.760 114.554 -0.014 0.000 3.933 325 T HA 0.357 nan 4.350 nan 0.000 0.379 325 T C -2.864 171.850 174.700 0.023 0.000 1.232 325 T CA -1.135 60.965 62.100 -0.001 0.000 1.122 325 T CB 3.001 71.866 68.868 -0.004 0.000 1.239 325 T HN -0.114 8.125 8.240 -0.002 0.000 0.475 326 P HA 0.498 nan 4.420 nan 0.000 0.276 326 P C -1.664 175.641 177.300 0.009 0.000 1.261 326 P CA -0.943 62.165 63.100 0.014 0.000 0.800 326 P CB 1.411 33.122 31.700 0.018 0.000 1.066 327 R N -3.617 116.883 120.500 0.000 0.000 2.831 327 R HA 0.425 nan 4.340 nan 0.000 0.266 327 R C -0.360 175.935 176.300 -0.008 0.000 1.051 327 R CA -1.927 54.170 56.100 -0.004 0.000 0.943 327 R CB 2.340 32.633 30.300 -0.011 0.000 1.228 327 R HN 0.216 8.485 8.270 -0.002 0.000 0.467 328 N N -0.195 118.497 118.700 -0.013 0.000 2.022 328 N HA -0.309 nan 4.740 nan 0.000 0.195 328 N C -1.695 173.804 175.510 -0.018 0.000 1.063 328 N CA 3.592 56.632 53.050 -0.016 0.000 0.851 328 N CB 0.834 39.308 38.487 -0.022 0.000 1.050 328 N HN 0.579 8.951 8.380 -0.014 0.000 0.425 329 D N -8.984 111.402 120.400 -0.024 0.000 2.527 329 D HA -0.068 nan 4.640 nan 0.000 0.191 329 D C -1.362 174.916 176.300 -0.037 0.000 0.915 329 D CA -0.161 53.822 54.000 -0.028 0.000 0.963 329 D CB 1.548 42.333 40.800 -0.024 0.000 4.192 329 D HN -0.802 7.552 8.370 -0.026 0.000 0.471 330 D N 0.632 121.004 120.400 -0.047 0.000 2.565 330 D HA -0.467 nan 4.640 nan 0.000 0.189 330 D C 1.275 177.540 176.300 -0.059 0.000 1.052 330 D CA 3.320 57.282 54.000 -0.063 0.000 0.889 330 D CB 0.005 40.753 40.800 -0.086 0.000 0.911 330 D HN 0.398 8.741 8.370 -0.045 0.000 0.464 331 R N -2.731 117.738 120.500 -0.050 0.000 2.062 331 R HA -0.157 nan 4.340 nan 0.000 0.231 331 R C 1.059 177.334 176.300 -0.041 0.000 1.136 331 R CA 1.611 57.684 56.100 -0.046 0.000 0.948 331 R CB 0.214 30.491 30.300 -0.039 0.000 0.845 331 R HN -0.389 8.067 8.270 -0.047 -0.214 0.430 332 S N -2.387 113.291 115.700 -0.037 0.000 2.660 332 S HA 0.096 nan 4.470 nan 0.000 0.227 332 S C -0.100 174.478 174.600 -0.036 0.000 0.948 332 S CA -0.037 58.142 58.200 -0.035 0.000 0.948 332 S CB 0.093 63.275 63.200 -0.030 0.000 0.779 332 S HN -0.399 8.046 8.310 -0.035 -0.156 0.487 333 S N 1.063 116.740 115.700 -0.038 0.000 2.608 333 S HA 0.280 nan 4.470 nan 0.000 0.291 333 S C -1.993 172.581 174.600 -0.042 0.000 1.146 333 S CA -1.029 57.149 58.200 -0.037 0.000 1.043 333 S CB 1.827 65.008 63.200 -0.032 0.000 1.037 333 S HN -0.559 7.666 8.310 -0.041 0.060 0.520 334 N N 2.141 120.815 118.700 -0.044 0.000 2.972 334 N HA 0.331 nan 4.740 nan 0.000 0.262 334 N C -2.393 173.085 175.510 -0.054 0.000 1.478 334 N CA -0.107 52.912 53.050 -0.052 0.000 0.841 334 N CB 3.996 42.448 38.487 -0.059 0.000 1.512 334 N HN -0.314 8.227 8.380 -0.041 -0.186 0.548 335 S N -1.688 113.973 115.700 -0.066 0.000 2.614 335 S HA 0.122 nan 4.470 nan 0.000 0.280 335 S C -1.958 172.588 174.600 -0.090 0.000 1.111 335 S CA -0.394 57.760 58.200 -0.076 0.000 0.847 335 S CB 1.340 64.516 63.200 -0.040 0.000 1.079 335 S HN 0.053 8.323 8.310 -0.067 0.000 0.452 336 N N 1.902 120.533 118.700 -0.116 0.000 2.240 336 N HA 0.194 nan 4.740 nan 0.000 0.240 336 N C 0.007 175.446 175.510 -0.119 0.000 1.277 336 N CA -0.544 52.438 53.050 -0.113 0.000 0.873 336 N CB -0.180 38.236 38.487 -0.119 0.000 1.222 336 N HN 0.573 8.867 8.380 -0.143 0.000 0.507 337 c N -4.774 113.762 118.600 -0.106 0.000 4.570 337 c HA -0.456 nan 4.570 nan 0.000 0.280 337 c C 0.869 174.928 174.090 -0.053 0.000 1.622 337 c CA 1.550 57.827 56.329 -0.087 0.000 1.837 337 c CB -2.588 39.818 42.510 -0.173 0.000 1.869 337 c HN 0.100 8.276 8.230 -0.091 0.000 0.686 338 R N 0.205 120.632 120.500 -0.121 0.000 2.164 338 R HA 0.127 nan 4.340 nan 0.000 0.198 338 R C -0.921 175.227 176.300 -0.254 0.000 1.028 338 R CA 1.799 57.828 56.100 -0.119 0.000 1.083 338 R CB 1.764 32.000 30.300 -0.108 0.000 1.026 338 R HN 0.117 8.536 8.270 -0.157 -0.243 0.514 339 D N -1.287 118.839 120.400 -0.456 0.000 2.523 339 D HA 0.422 nan 4.640 nan 0.000 0.236 339 D C -2.464 173.232 176.300 -1.007 0.000 1.094 339 D CA -1.975 51.642 54.000 -0.639 0.000 0.942 339 D CB 2.060 42.661 40.800 -0.332 0.000 1.447 339 D HN -0.127 8.423 8.370 -0.379 -0.407 0.479 340 P HA -0.024 nan 4.420 nan 0.000 0.268 340 P C -1.020 176.096 177.300 -0.306 0.000 1.204 340 P CA 0.003 62.808 63.100 -0.492 0.000 0.768 340 P CB 0.639 32.249 31.700 -0.150 0.000 0.842 341 N N 4.153 122.740 118.700 -0.188 0.000 2.453 341 N HA -0.340 nan 4.740 nan 0.000 0.183 341 N C 0.585 176.027 175.510 -0.113 0.000 1.041 341 N CA 0.235 53.202 53.050 -0.137 0.000 0.900 341 N CB 0.207 38.643 38.487 -0.084 0.000 0.961 341 N HN -0.134 8.453 8.380 -0.121 -0.280 0.443 342 N N -2.429 116.207 118.700 -0.107 0.000 2.740 342 N HA -0.433 nan 4.740 nan 0.000 0.248 342 N C -1.549 173.921 175.510 -0.067 0.000 1.062 342 N CA 1.715 54.703 53.050 -0.104 0.000 0.704 342 N CB -1.361 37.047 38.487 -0.133 0.000 0.968 342 N HN 0.105 8.380 8.380 -0.100 0.044 0.547 343 E N -0.143 120.031 120.200 -0.044 0.000 2.916 343 E HA 0.221 nan 4.350 nan 0.000 0.217 343 E C -1.296 175.297 176.600 -0.012 0.000 1.100 343 E CA -1.380 55.002 56.400 -0.030 0.000 0.891 343 E CB -0.132 29.549 29.700 -0.032 0.000 1.311 343 E HN -0.112 8.502 8.360 -0.036 -0.276 0.421 344 R N -0.009 120.486 120.500 -0.008 0.000 3.919 344 R HA -0.335 nan 4.340 nan 0.000 0.412 344 R C 0.568 176.883 176.300 0.025 0.000 1.102 344 R CA 1.206 57.310 56.100 0.008 0.000 1.082 344 R CB -2.284 28.020 30.300 0.007 0.000 1.671 344 R HN 0.556 8.816 8.270 -0.016 0.000 0.540 345 G N -0.797 108.016 108.800 0.023 0.000 2.624 345 G HA2 -0.390 nan 3.960 nan 0.000 0.221 345 G HA3 -0.390 nan 3.960 nan 0.000 0.221 345 G C -0.181 174.773 174.900 0.090 0.000 1.169 345 G CA 1.198 46.329 45.100 0.051 0.000 0.771 345 G HN 0.336 8.624 8.290 0.003 0.003 0.598 346 T N 3.954 118.564 114.554 0.094 0.000 2.759 346 T HA -0.049 nan 4.350 nan 0.000 0.273 346 T C -0.952 173.804 174.700 0.094 0.000 0.938 346 T CA 1.514 63.690 62.100 0.126 0.000 1.197 346 T CB -1.390 67.551 68.868 0.123 0.000 0.887 346 T HN -0.193 8.088 8.240 0.069 0.000 0.540 347 Q N 4.627 124.489 119.800 0.104 0.000 3.045 347 Q HA 0.053 nan 4.340 nan 0.000 0.293 347 Q C -2.613 173.443 176.000 0.093 0.000 0.907 347 Q CA -0.365 55.490 55.803 0.086 0.000 0.838 347 Q CB 1.746 30.522 28.738 0.063 0.000 1.776 347 Q HN -0.174 8.060 8.270 0.129 0.113 0.545 348 G N -3.281 105.564 108.800 0.076 0.000 2.328 348 G HA2 0.129 nan 3.960 nan 0.000 0.295 348 G HA3 0.129 nan 3.960 nan 0.000 0.295 348 G C -2.925 171.992 174.900 0.028 0.000 1.413 348 G CA 0.595 45.727 45.100 0.053 0.000 0.817 348 G HN -0.266 8.069 8.290 0.075 0.000 0.546 349 V N -2.309 117.573 119.914 -0.053 0.000 3.036 349 V HA 0.151 nan 4.120 nan 0.000 0.280 349 V C -2.583 173.319 176.094 -0.319 0.000 1.497 349 V CA -0.654 61.543 62.300 -0.172 0.000 0.982 349 V CB 4.103 35.898 31.823 -0.047 0.000 1.171 349 V HN -0.267 7.944 8.190 -0.060 -0.056 0.444 350 K N 6.269 126.219 120.400 -0.751 0.000 2.416 350 K HA 0.109 nan 4.320 nan 0.000 0.283 350 K C -1.038 175.469 176.600 -0.156 0.000 1.037 350 K CA 0.773 56.782 56.287 -0.465 0.000 0.995 350 K CB 0.946 33.081 32.500 -0.609 0.000 0.938 350 K HN 0.326 7.663 8.250 -1.523 0.000 0.475 351 G N 4.200 112.975 108.800 -0.042 0.000 3.140 351 G HA2 0.592 nan 3.960 nan 0.000 0.271 351 G HA3 0.592 nan 3.960 nan 0.000 0.271 351 G C -2.316 172.665 174.900 0.134 0.000 1.370 351 G CA -1.627 43.493 45.100 0.032 0.000 1.014 351 G HN -0.123 8.137 8.290 -0.051 0.000 0.541 352 W N -4.103 117.196 121.300 -0.002 0.000 2.988 352 W HA 0.476 nan 4.660 nan 0.000 0.355 352 W C -2.977 173.569 176.519 0.045 0.000 1.233 352 W CA -1.266 56.108 57.345 0.048 0.000 1.176 352 W CB 2.191 31.678 29.460 0.046 0.000 1.477 352 W HN 0.100 8.026 8.180 -0.423 0.000 0.582 353 A N -1.596 121.251 122.820 0.046 0.000 2.522 353 A HA 0.513 nan 4.320 nan 0.000 0.294 353 A C -2.383 175.400 177.584 0.331 0.000 1.001 353 A CA -0.051 51.890 52.037 -0.161 0.000 0.642 353 A CB 2.395 21.261 19.000 -0.222 0.000 1.326 353 A HN -0.281 8.185 8.150 0.526 0.000 0.435 354 F N -4.462 115.528 119.950 0.066 0.000 2.665 354 F HA 0.486 nan 4.527 nan 0.000 0.308 354 F C -2.261 173.519 175.800 -0.033 0.000 1.112 354 F CA -0.970 57.005 58.000 -0.041 0.000 0.972 354 F CB 2.653 41.396 39.000 -0.427 0.000 1.295 354 F HN 0.761 8.921 8.300 -0.234 0.000 0.440 355 D N 0.478 120.855 120.400 -0.039 0.000 2.398 355 D HA 0.150 nan 4.640 nan 0.000 0.264 355 D C -0.333 175.988 176.300 0.034 0.000 1.263 355 D CA -0.417 53.408 54.000 -0.291 0.000 1.037 355 D CB 0.956 41.141 40.800 -1.026 0.000 1.101 355 D HN -0.063 8.322 8.370 0.024 0.000 0.551 356 N N -0.899 117.787 118.700 -0.024 0.000 4.868 356 N HA -0.041 nan 4.740 nan 0.000 0.158 356 N C -0.602 174.938 175.510 0.050 0.000 1.236 356 N CA 0.713 53.821 53.050 0.097 0.000 0.953 356 N CB 1.322 39.941 38.487 0.220 0.000 1.653 356 N HN -0.249 8.057 8.380 -0.125 0.000 0.933 357 G N 5.139 113.970 108.800 0.051 0.000 2.583 357 G HA2 -0.496 nan 3.960 nan 0.000 0.292 357 G HA3 -0.496 nan 3.960 nan 0.000 0.292 357 G C -0.485 174.493 174.900 0.131 0.000 1.203 357 G CA 1.385 46.532 45.100 0.079 0.000 0.987 357 G HN 0.471 8.786 8.290 0.041 0.000 0.554 358 N N 4.740 123.522 118.700 0.138 0.000 2.336 358 N HA 0.162 nan 4.740 nan 0.000 0.189 358 N C -1.105 174.524 175.510 0.199 0.000 1.113 358 N CA 0.083 53.258 53.050 0.208 0.000 0.858 358 N CB 0.211 38.771 38.487 0.121 0.000 0.970 358 N HN 0.191 8.627 8.380 0.093 0.000 0.471 359 D N -0.176 120.280 120.400 0.093 0.000 2.387 359 D HA 0.320 nan 4.640 nan 0.000 0.251 359 D C -2.092 174.197 176.300 -0.019 0.000 1.141 359 D CA 0.760 54.751 54.000 -0.015 0.000 0.987 359 D CB 1.902 42.607 40.800 -0.159 0.000 1.116 359 D HN -0.249 8.092 8.370 0.065 0.067 0.491 360 L N -0.199 120.937 121.223 -0.144 0.000 2.457 360 L HA 0.404 nan 4.340 nan 0.000 0.266 360 L C -1.991 174.639 176.870 -0.400 0.000 0.979 360 L CA -0.434 54.312 54.840 -0.156 0.000 0.857 360 L CB 2.769 44.851 42.059 0.039 0.000 1.213 360 L HN -0.255 7.853 8.230 -0.203 0.000 0.418 361 W N 8.049 129.041 121.300 -0.514 0.000 2.266 361 W HA 0.261 nan 4.660 nan 0.000 0.317 361 W C -1.144 174.944 176.519 -0.719 0.000 1.310 361 W CA 0.548 57.501 57.345 -0.652 0.000 1.207 361 W CB 0.999 29.732 29.460 -1.213 0.000 1.199 361 W HN 0.860 8.727 8.180 -0.522 0.000 0.544 362 M N -0.712 118.605 119.600 -0.473 0.000 2.880 362 M HA 0.850 nan 4.480 nan 0.000 0.269 362 M C -2.408 173.245 176.300 -1.077 0.000 1.248 362 M CA -0.636 54.079 55.300 -0.974 0.000 0.821 362 M CB 4.553 36.729 32.600 -0.706 0.000 1.650 362 M HN 0.330 8.457 8.290 -0.271 0.000 0.479 363 G N -2.722 105.348 108.800 -1.216 0.000 2.746 363 G HA2 0.767 nan 3.960 nan 0.000 0.297 363 G HA3 0.767 nan 3.960 nan 0.000 0.297 363 G C -2.835 171.563 174.900 -0.836 0.000 1.426 363 G CA 0.234 44.859 45.100 -0.791 0.000 0.989 363 G HN -0.250 7.197 8.290 -1.405 0.000 0.520 364 R N -0.950 119.001 120.500 -0.915 0.000 2.810 364 R HA 0.808 nan 4.340 nan 0.000 0.266 364 R C -0.673 175.046 176.300 -0.969 0.000 1.061 364 R CA -3.007 52.583 56.100 -0.850 0.000 0.943 364 R CB 2.129 32.198 30.300 -0.386 0.000 1.237 364 R HN -0.059 7.746 8.270 -0.776 0.000 0.459 365 T N -3.365 110.852 114.554 -0.560 0.000 2.918 365 T HA 0.191 nan 4.350 nan 0.000 0.302 365 T C 1.176 175.797 174.700 -0.131 0.000 1.045 365 T CA -0.749 61.189 62.100 -0.269 0.000 1.114 365 T CB 0.121 68.945 68.868 -0.074 0.000 0.965 365 T HN 0.298 8.300 8.240 -0.396 0.000 0.540 366 I N -0.072 120.483 120.570 -0.026 0.000 2.493 366 I HA -0.259 nan 4.170 nan 0.000 0.254 366 I C 0.364 176.487 176.117 0.009 0.000 1.160 366 I CA 2.660 63.970 61.300 0.016 0.000 1.445 366 I CB 0.215 38.251 38.000 0.060 0.000 1.086 366 I HN 0.395 8.542 8.210 0.021 0.076 0.433 367 S N -1.093 114.613 115.700 0.010 0.000 2.562 367 S HA 0.021 nan 4.470 nan 0.000 0.275 367 S C -0.316 174.282 174.600 -0.004 0.000 1.281 367 S CA -0.586 57.620 58.200 0.010 0.000 1.045 367 S CB 1.423 64.637 63.200 0.023 0.000 0.962 367 S HN -0.654 7.645 8.310 0.016 0.020 0.503 368 K N 5.118 125.516 120.400 -0.003 0.000 2.358 368 K HA 0.158 nan 4.320 nan 0.000 0.197 368 K C 0.644 177.244 176.600 0.000 0.000 1.025 368 K CA 0.957 57.239 56.287 -0.008 0.000 1.104 368 K CB -0.167 32.326 32.500 -0.012 0.000 0.855 368 K HN 0.559 8.810 8.250 0.000 0.000 0.531 369 D N -0.588 119.817 120.400 0.008 0.000 2.597 369 D HA 0.109 nan 4.640 nan 0.000 0.261 369 D C -0.047 176.267 176.300 0.023 0.000 1.023 369 D CA 2.505 56.514 54.000 0.014 0.000 0.927 369 D CB 2.367 43.174 40.800 0.012 0.000 1.168 369 D HN -0.707 7.616 8.370 0.009 0.052 0.491 370 L N -1.327 119.911 121.223 0.025 0.000 2.304 370 L HA 0.409 nan 4.340 nan 0.000 0.268 370 L C -0.461 176.437 176.870 0.047 0.000 1.010 370 L CA -1.384 53.478 54.840 0.037 0.000 0.813 370 L CB 2.234 44.313 42.059 0.033 0.000 1.315 370 L HN -0.837 7.406 8.230 0.021 0.000 0.445 371 R N -1.921 118.620 120.500 0.068 0.000 2.319 371 R HA -0.078 nan 4.340 nan 0.000 0.204 371 R C -0.357 176.008 176.300 0.108 0.000 0.954 371 R CA 0.091 56.249 56.100 0.095 0.000 1.066 371 R CB -0.021 30.358 30.300 0.131 0.000 0.991 371 R HN 0.394 8.705 8.270 0.069 0.000 0.486 372 S N -0.504 115.245 115.700 0.083 0.000 2.560 372 S HA -0.113 nan 4.470 nan 0.000 0.284 372 S C -0.003 174.660 174.600 0.105 0.000 1.327 372 S CA 1.408 59.661 58.200 0.089 0.000 1.055 372 S CB 0.128 63.366 63.200 0.063 0.000 0.868 372 S HN -0.486 7.781 8.310 0.065 0.081 0.506 373 G N 3.547 112.428 108.800 0.133 0.000 2.953 373 G HA2 -0.420 nan 3.960 nan 0.000 0.421 373 G HA3 -0.420 nan 3.960 nan 0.000 0.421 373 G C -2.513 172.528 174.900 0.235 0.000 1.531 373 G CA 0.154 45.352 45.100 0.164 0.000 0.971 373 G HN 0.747 9.007 8.290 0.131 0.109 0.558 374 Y N 0.133 120.481 120.300 0.080 0.000 2.436 374 Y HA 0.317 nan 4.550 nan 0.000 0.327 374 Y C -2.718 173.215 175.900 0.056 0.000 1.138 374 Y CA -0.785 57.350 58.100 0.058 0.000 1.042 374 Y CB 3.775 42.274 38.460 0.064 0.000 1.302 374 Y HN -0.092 8.252 8.280 0.265 0.095 0.439 375 E N 3.467 123.756 120.200 0.148 0.000 2.378 375 E HA 0.866 nan 4.350 nan 0.000 0.265 375 E C -2.085 174.555 176.600 0.065 0.000 0.932 375 E CA -2.585 53.918 56.400 0.172 0.000 0.795 375 E CB 4.564 34.373 29.700 0.181 0.000 1.296 375 E HN 0.914 9.148 8.360 -0.209 0.000 0.438 376 T N -6.563 108.053 114.554 0.104 0.000 2.868 376 T HA 0.927 nan 4.350 nan 0.000 0.306 376 T C -2.091 172.678 174.700 0.116 0.000 1.224 376 T CA -1.377 60.683 62.100 -0.067 0.000 1.012 376 T CB 2.860 71.835 68.868 0.179 0.000 1.221 376 T HN 0.108 8.489 8.240 0.235 0.000 0.499 377 F N -5.266 114.834 119.950 0.250 0.000 2.944 377 F HA 0.613 nan 4.527 nan 0.000 0.324 377 F C -3.085 172.733 175.800 0.030 0.000 1.151 377 F CA -0.914 57.208 58.000 0.204 0.000 0.883 377 F CB 1.492 40.527 39.000 0.058 0.000 1.341 377 F HN 0.493 8.545 8.300 -0.412 0.000 0.456 378 K N -0.074 120.365 120.400 0.066 0.000 2.307 378 K HA 0.487 nan 4.320 nan 0.000 0.263 378 K C -1.785 174.711 176.600 -0.174 0.000 0.973 378 K CA -1.979 53.974 56.287 -0.556 0.000 0.846 378 K CB 2.833 34.630 32.500 -1.171 0.000 1.100 378 K HN 0.727 8.980 8.250 0.209 0.122 0.438 379 V N 7.515 127.343 119.914 -0.144 0.000 2.334 379 V HA 0.285 nan 4.120 nan 0.000 0.267 379 V C -0.355 175.664 176.094 -0.126 0.000 1.040 379 V CA -0.961 61.300 62.300 -0.065 0.000 0.866 379 V CB 0.170 32.002 31.823 0.016 0.000 1.019 379 V HN -0.129 7.917 8.190 -0.240 0.000 0.468 380 I N 7.936 128.438 120.570 -0.114 0.000 2.587 380 I HA -0.308 nan 4.170 nan 0.000 0.284 380 I C 0.342 176.428 176.117 -0.052 0.000 1.134 380 I CA 0.919 62.164 61.300 -0.092 0.000 1.410 380 I CB -1.415 36.542 38.000 -0.071 0.000 1.392 380 I HN 0.271 8.418 8.210 -0.105 0.000 0.545 381 G N 5.784 114.569 108.800 -0.025 0.000 2.299 381 G HA2 -0.389 nan 3.960 nan 0.000 0.237 381 G HA3 -0.389 nan 3.960 nan 0.000 0.237 381 G C 1.326 176.237 174.900 0.019 0.000 1.027 381 G CA 0.662 45.763 45.100 0.003 0.000 0.619 381 G HN 0.190 8.713 8.290 -0.028 -0.250 0.513 382 G N 1.260 110.064 108.800 0.006 0.000 2.717 382 G HA2 -0.414 nan 3.960 nan 0.000 0.224 382 G HA3 -0.414 nan 3.960 nan 0.000 0.224 382 G C 0.157 175.104 174.900 0.079 0.000 1.088 382 G CA 1.818 46.932 45.100 0.024 0.000 0.734 382 G HN -0.496 7.573 8.290 -0.021 0.209 0.616 383 W N 1.127 122.403 121.300 -0.041 0.000 2.452 383 W HA -0.186 nan 4.660 nan 0.000 0.313 383 W C 0.848 177.370 176.519 0.005 0.000 1.176 383 W CA 1.964 59.304 57.345 -0.008 0.000 1.350 383 W CB 0.911 30.378 29.460 0.010 0.000 1.148 383 W HN -0.118 8.067 8.180 0.233 0.135 0.498 384 S N -5.276 110.362 115.700 -0.103 0.000 2.575 384 S HA -0.029 nan 4.470 nan 0.000 0.215 384 S C 0.322 174.844 174.600 -0.130 0.000 0.966 384 S CA 0.431 58.527 58.200 -0.173 0.000 0.911 384 S CB 0.683 63.897 63.200 0.023 0.000 0.780 384 S HN -0.671 7.717 8.310 0.130 0.000 0.514 385 T N 3.424 117.917 114.554 -0.102 0.000 2.809 385 T HA 0.475 nan 4.350 nan 0.000 0.284 385 T C -2.749 171.896 174.700 -0.091 0.000 0.992 385 T CA -2.675 59.376 62.100 -0.082 0.000 0.957 385 T CB 1.089 69.928 68.868 -0.048 0.000 0.942 385 T HN -0.522 7.667 8.240 -0.085 0.000 0.439 386 P HA -0.233 nan 4.420 nan 0.000 0.267 386 P C -0.197 177.060 177.300 -0.072 0.000 1.195 386 P CA -0.216 62.830 63.100 -0.089 0.000 0.773 386 P CB 0.644 32.294 31.700 -0.083 0.000 0.837 387 N N -0.543 118.115 118.700 -0.070 0.000 2.718 387 N HA -0.485 nan 4.740 nan 0.000 0.268 387 N C -0.916 174.561 175.510 -0.055 0.000 0.965 387 N CA 0.743 53.757 53.050 -0.060 0.000 0.817 387 N CB -0.213 38.238 38.487 -0.060 0.000 0.914 387 N HN 0.074 8.408 8.380 -0.077 0.000 0.558 388 S N -0.825 114.843 115.700 -0.053 0.000 2.513 388 S HA 0.211 nan 4.470 nan 0.000 0.276 388 S C -0.369 174.198 174.600 -0.054 0.000 1.254 388 S CA 0.390 58.560 58.200 -0.050 0.000 1.053 388 S CB 1.018 64.191 63.200 -0.044 0.000 0.958 388 S HN -0.369 7.909 8.310 -0.054 0.000 0.491 389 K N 3.319 123.680 120.400 -0.064 0.000 2.506 389 K HA 0.079 nan 4.320 nan 0.000 0.204 389 K C -0.764 175.773 176.600 -0.104 0.000 1.045 389 K CA -0.740 55.496 56.287 -0.085 0.000 1.074 389 K CB 0.859 33.308 32.500 -0.084 0.000 0.842 389 K HN 0.506 8.719 8.250 -0.061 0.000 0.514 390 S N 2.262 117.910 115.700 -0.086 0.000 2.498 390 S HA -0.112 nan 4.470 nan 0.000 0.314 390 S C -1.191 173.344 174.600 -0.108 0.000 1.141 390 S CA -0.176 57.972 58.200 -0.087 0.000 1.087 390 S CB -0.393 62.769 63.200 -0.064 0.000 1.178 390 S HN -0.032 8.170 8.310 -0.071 0.066 0.533 391 Q N 6.257 125.964 119.800 -0.154 0.000 2.199 391 Q HA 0.681 nan 4.340 nan 0.000 0.232 391 Q C -1.574 174.357 176.000 -0.115 0.000 0.969 391 Q CA -0.677 55.007 55.803 -0.198 0.000 0.925 391 Q CB 2.597 31.089 28.738 -0.411 0.000 1.198 391 Q HN -0.190 7.986 8.270 -0.157 0.000 0.494 392 I N -0.416 120.118 120.570 -0.059 0.000 3.016 392 I HA 0.196 nan 4.170 nan 0.000 0.307 392 I C -1.795 174.388 176.117 0.111 0.000 1.516 392 I CA -0.346 60.956 61.300 0.003 0.000 0.938 392 I CB 3.041 41.025 38.000 -0.026 0.000 1.335 392 I HN 0.346 8.543 8.210 -0.022 0.000 0.553 393 N N -0.557 118.247 118.700 0.173 0.000 2.686 393 N HA -0.301 nan 4.740 nan 0.000 0.249 393 N C -1.180 174.586 175.510 0.427 0.000 1.082 393 N CA 1.206 54.455 53.050 0.332 0.000 0.725 393 N CB -1.968 36.811 38.487 0.486 0.000 1.009 393 N HN 0.356 8.816 8.380 0.133 0.000 0.545 394 R N -2.278 118.434 120.500 0.354 0.000 2.893 394 R HA 0.001 nan 4.340 nan 0.000 0.279 394 R C -1.202 175.321 176.300 0.372 0.000 1.076 394 R CA 0.354 56.699 56.100 0.409 0.000 1.203 394 R CB 1.045 31.539 30.300 0.324 0.000 1.137 394 R HN -0.344 8.051 8.270 0.256 0.029 0.541 395 Q N -3.088 116.922 119.800 0.350 0.000 2.468 395 Q HA 0.119 nan 4.340 nan 0.000 0.263 395 Q C -2.247 173.920 176.000 0.278 0.000 0.979 395 Q CA -0.677 55.320 55.803 0.323 0.000 0.932 395 Q CB 4.686 33.627 28.738 0.339 0.000 1.462 395 Q HN 0.025 8.512 8.270 0.362 0.000 0.403 396 V N 2.885 122.956 119.914 0.263 0.000 2.406 396 V HA 0.465 nan 4.120 nan 0.000 0.272 396 V C -1.125 175.136 176.094 0.279 0.000 1.043 396 V CA -0.941 61.500 62.300 0.235 0.000 0.915 396 V CB 0.572 32.507 31.823 0.186 0.000 0.988 396 V HN 0.572 8.924 8.190 0.271 0.000 0.466 397 I N 9.070 129.775 120.570 0.225 0.000 2.685 397 I HA 0.189 nan 4.170 nan 0.000 0.251 397 I C -0.570 175.728 176.117 0.302 0.000 1.102 397 I CA 1.046 62.424 61.300 0.130 0.000 1.442 397 I CB 0.895 38.831 38.000 -0.107 0.000 1.194 397 I HN 0.181 8.530 8.210 0.232 0.000 0.448 398 V N -0.463 119.600 119.914 0.249 0.000 2.378 398 V HA 0.209 nan 4.120 nan 0.000 0.288 398 V C -1.084 175.121 176.094 0.185 0.000 1.016 398 V CA -2.522 59.918 62.300 0.233 0.000 0.840 398 V CB 0.947 32.904 31.823 0.224 0.000 0.994 398 V HN -0.316 8.027 8.190 0.254 0.000 0.431 399 D N 6.671 127.155 120.400 0.140 0.000 2.449 399 D HA -0.133 nan 4.640 nan 0.000 0.236 399 D C 0.526 176.885 176.300 0.098 0.000 1.149 399 D CA 0.803 54.864 54.000 0.100 0.000 0.878 399 D CB 1.178 42.014 40.800 0.060 0.000 1.198 399 D HN -0.106 8.344 8.370 0.133 0.000 0.446 400 S N 0.589 116.338 115.700 0.082 0.000 2.440 400 S HA -0.336 nan 4.470 nan 0.000 0.238 400 S C 0.238 174.873 174.600 0.058 0.000 1.010 400 S CA 2.120 60.363 58.200 0.071 0.000 0.972 400 S CB -0.253 62.980 63.200 0.055 0.000 0.774 400 S HN 0.400 8.756 8.310 0.078 0.000 0.501 401 D N -1.608 118.823 120.400 0.051 0.000 2.352 401 D HA 0.015 nan 4.640 nan 0.000 0.232 401 D C -0.927 175.398 176.300 0.042 0.000 1.055 401 D CA 0.900 54.923 54.000 0.039 0.000 0.891 401 D CB 0.034 40.851 40.800 0.028 0.000 0.897 401 D HN -0.584 7.930 8.370 0.053 -0.112 0.529 402 N N -3.246 115.490 118.700 0.060 0.000 2.732 402 N HA 0.180 nan 4.740 nan 0.000 0.259 402 N C -1.869 173.694 175.510 0.088 0.000 1.402 402 N CA -1.490 51.600 53.050 0.066 0.000 0.829 402 N CB 2.572 41.098 38.487 0.066 0.000 1.495 402 N HN -0.837 7.503 8.380 0.072 0.083 0.511 403 R N -0.992 119.562 120.500 0.089 0.000 2.643 403 R HA 0.058 nan 4.340 nan 0.000 0.270 403 R C -1.003 175.385 176.300 0.146 0.000 1.061 403 R CA 0.918 57.084 56.100 0.110 0.000 1.107 403 R CB 0.271 30.628 30.300 0.095 0.000 0.999 403 R HN 0.289 8.604 8.270 0.076 0.000 0.460 404 S N 0.878 116.682 115.700 0.172 0.000 3.379 404 S HA 0.329 nan 4.470 nan 0.000 0.273 404 S C -1.453 173.286 174.600 0.232 0.000 1.027 404 S CA -1.860 56.475 58.200 0.224 0.000 1.098 404 S CB 1.785 65.167 63.200 0.303 0.000 1.317 404 S HN -0.329 8.077 8.310 0.158 0.000 0.715 405 G N -1.110 107.864 108.800 0.289 0.000 2.455 405 G HA2 -0.035 nan 3.960 nan 0.000 0.223 405 G HA3 -0.035 nan 3.960 nan 0.000 0.223 405 G C -1.866 173.272 174.900 0.395 0.000 1.226 405 G CA -0.164 45.132 45.100 0.326 0.000 0.948 405 G HN -0.093 8.404 8.290 0.346 0.000 0.478 406 Y N -0.122 120.299 120.300 0.202 0.000 2.709 406 Y HA -0.138 nan 4.550 nan 0.000 0.348 406 Y C -0.858 175.148 175.900 0.176 0.000 1.267 406 Y CA 1.575 59.800 58.100 0.209 0.000 1.486 406 Y CB 0.690 39.294 38.460 0.240 0.000 1.356 406 Y HN -0.445 8.442 8.280 0.651 -0.217 0.639 407 S N -1.692 114.109 115.700 0.168 0.000 2.548 407 S HA 0.281 nan 4.470 nan 0.000 0.278 407 S C -1.904 172.661 174.600 -0.058 0.000 1.150 407 S CA -0.397 57.760 58.200 -0.072 0.000 0.907 407 S CB 1.978 65.307 63.200 0.216 0.000 1.108 407 S HN -0.171 8.096 8.310 0.086 0.095 0.459 408 G N 2.223 110.698 108.800 -0.542 0.000 2.818 408 G HA2 0.664 nan 3.960 nan 0.000 0.286 408 G HA3 0.664 nan 3.960 nan 0.000 0.286 408 G C -3.138 171.721 174.900 -0.068 0.000 1.364 408 G CA -1.791 43.320 45.100 0.018 0.000 0.938 408 G HN -0.364 6.950 8.290 -1.626 0.000 0.490 409 I N -1.473 119.218 120.570 0.203 0.000 3.100 409 I HA 1.046 nan 4.170 nan 0.000 0.312 409 I C -2.594 173.711 176.117 0.314 0.000 1.063 409 I CA -2.504 58.833 61.300 0.062 0.000 1.031 409 I CB 3.351 41.441 38.000 0.150 0.000 1.243 409 I HN 0.142 8.539 8.210 0.312 0.000 0.483 410 F N 0.085 120.024 119.950 -0.019 0.000 2.652 410 F HA 0.438 nan 4.527 nan 0.000 0.320 410 F C -2.907 172.852 175.800 -0.068 0.000 1.115 410 F CA -0.959 57.055 58.000 0.023 0.000 1.053 410 F CB 2.215 41.286 39.000 0.119 0.000 1.297 410 F HN 0.401 8.559 8.300 -0.237 0.000 0.471 411 S N 2.432 118.186 115.700 0.089 0.000 2.690 411 S HA 0.762 nan 4.470 nan 0.000 0.291 411 S C -1.436 173.308 174.600 0.240 0.000 1.138 411 S CA -1.153 57.028 58.200 -0.032 0.000 1.013 411 S CB 2.119 65.210 63.200 -0.182 0.000 1.053 411 S HN -0.197 8.405 8.310 0.187 -0.179 0.539 412 V N 0.939 120.956 119.914 0.172 0.000 2.655 412 V HA 0.268 nan 4.120 nan 0.000 0.301 412 V C -1.796 174.400 176.094 0.170 0.000 1.082 412 V CA -0.567 61.856 62.300 0.205 0.000 0.899 412 V CB 3.674 35.532 31.823 0.060 0.000 1.014 412 V HN -0.102 8.114 8.190 0.043 0.000 0.429 413 E N 6.570 126.854 120.200 0.140 0.000 2.344 413 E HA 0.079 nan 4.350 nan 0.000 0.270 413 E C -1.071 175.527 176.600 -0.003 0.000 1.021 413 E CA 0.060 56.487 56.400 0.046 0.000 0.887 413 E CB 1.053 30.674 29.700 -0.132 0.000 0.997 413 E HN 0.293 8.706 8.360 0.088 0.000 0.429 414 G N 3.511 112.311 108.800 -0.002 0.000 2.557 414 G HA2 0.190 nan 3.960 nan 0.000 0.302 414 G HA3 0.190 nan 3.960 nan 0.000 0.302 414 G C -0.977 173.908 174.900 -0.024 0.000 1.311 414 G CA -1.333 43.756 45.100 -0.018 0.000 1.030 414 G HN 0.198 8.402 8.290 0.019 0.096 0.509 415 K N -0.714 119.672 120.400 -0.023 0.000 2.365 415 K HA -0.135 nan 4.320 nan 0.000 0.197 415 K C 0.414 177.002 176.600 -0.021 0.000 1.042 415 K CA 2.036 58.308 56.287 -0.025 0.000 0.987 415 K CB 0.205 32.692 32.500 -0.021 0.000 0.779 415 K HN 0.433 8.671 8.250 -0.021 0.000 0.484 416 S N -5.513 110.178 115.700 -0.014 0.000 2.653 416 S HA 0.027 nan 4.470 nan 0.000 0.259 416 S C -0.824 173.776 174.600 -0.000 0.000 1.076 416 S CA -0.071 58.124 58.200 -0.008 0.000 1.051 416 S CB 0.995 64.193 63.200 -0.004 0.000 0.994 416 S HN 0.003 8.269 8.310 -0.014 0.035 0.552 417 c N -1.831 116.770 118.600 0.002 0.000 3.170 417 c HA 0.527 nan 4.570 nan 0.000 0.319 417 c C -1.824 172.279 174.090 0.022 0.000 1.260 417 c CA -3.013 53.324 56.329 0.014 0.000 1.374 417 c CB 3.817 46.331 42.510 0.006 0.000 1.739 417 c HN -0.828 7.400 8.230 -0.004 0.000 0.479 418 I N 0.498 121.098 120.570 0.051 0.000 2.308 418 I HA 0.250 nan 4.170 nan 0.000 0.293 418 I C -1.436 174.666 176.117 -0.025 0.000 1.078 418 I CA -0.955 60.396 61.300 0.085 0.000 1.292 418 I CB 0.378 38.520 38.000 0.237 0.000 1.423 418 I HN 0.039 8.281 8.210 0.053 0.000 0.493 419 N N 8.341 127.004 118.700 -0.061 0.000 2.444 419 N HA -0.051 nan 4.740 nan 0.000 0.255 419 N C -1.851 173.490 175.510 -0.281 0.000 1.255 419 N CA 0.371 53.324 53.050 -0.162 0.000 0.933 419 N CB 1.704 40.094 38.487 -0.162 0.000 1.143 419 N HN -0.151 8.218 8.380 -0.019 0.000 0.453 420 R N 0.462 120.729 120.500 -0.388 0.000 2.494 420 R HA 0.669 nan 4.340 nan 0.000 0.305 420 R C -1.161 174.829 176.300 -0.517 0.000 0.959 420 R CA -1.013 54.740 56.100 -0.578 0.000 0.864 420 R CB 2.757 32.437 30.300 -1.033 0.000 1.159 420 R HN 0.075 8.158 8.270 -0.311 0.000 0.446 421 c N 2.337 120.448 118.600 -0.814 0.000 2.994 421 c HA 0.966 nan 4.570 nan 0.000 0.304 421 c C -1.969 171.503 174.090 -1.030 0.000 1.273 421 c CA -1.262 54.410 56.329 -1.094 0.000 1.537 421 c CB 3.879 45.251 42.510 -1.897 0.000 2.001 421 c HN 0.735 8.458 8.230 -0.846 0.000 0.471 422 F N -2.322 117.058 119.950 -0.951 0.000 2.640 422 F HA 1.032 nan 4.527 nan 0.000 0.324 422 F C -3.177 172.476 175.800 -0.245 0.000 1.077 422 F CA -2.679 54.816 58.000 -0.840 0.000 0.965 422 F CB 3.175 41.140 39.000 -1.725 0.000 1.351 422 F HN 0.206 7.812 8.300 -1.157 0.000 0.487 423 Y N -6.102 114.226 120.300 0.046 0.000 2.581 423 Y HA 0.732 nan 4.550 nan 0.000 0.345 423 Y C -2.646 173.314 175.900 0.099 0.000 1.036 423 Y CA -2.604 55.537 58.100 0.068 0.000 1.042 423 Y CB 2.484 41.030 38.460 0.144 0.000 1.289 423 Y HN -0.140 7.892 8.280 -0.414 0.000 0.471 424 V N -0.111 119.862 119.914 0.097 0.000 2.531 424 V HA 0.324 nan 4.120 nan 0.000 0.301 424 V C -1.739 174.476 176.094 0.203 0.000 1.034 424 V CA -1.306 60.987 62.300 -0.011 0.000 0.865 424 V CB 1.996 33.739 31.823 -0.133 0.000 0.995 424 V HN 0.736 9.063 8.190 0.228 0.000 0.424 425 E N 6.705 127.060 120.200 0.258 0.000 2.129 425 E HA 0.188 nan 4.350 nan 0.000 0.283 425 E C -0.556 176.182 176.600 0.229 0.000 1.080 425 E CA -0.828 55.750 56.400 0.298 0.000 0.867 425 E CB 0.916 30.833 29.700 0.362 0.000 1.056 425 E HN 0.104 8.594 8.360 0.217 0.000 0.404 426 L N 8.237 129.579 121.223 0.199 0.000 2.270 426 L HA 0.242 nan 4.340 nan 0.000 0.286 426 L C -1.252 175.724 176.870 0.177 0.000 1.059 426 L CA -1.352 53.595 54.840 0.179 0.000 0.839 426 L CB -0.078 42.079 42.059 0.164 0.000 1.221 426 L HN 0.926 9.274 8.230 0.197 0.000 0.431 427 I N 4.798 125.471 120.570 0.171 0.000 2.472 427 I HA 0.342 nan 4.170 nan 0.000 0.290 427 I C -1.531 174.671 176.117 0.141 0.000 1.016 427 I CA -1.205 60.191 61.300 0.160 0.000 1.348 427 I CB 1.449 39.533 38.000 0.139 0.000 1.417 427 I HN -0.325 7.990 8.210 0.174 0.000 0.521 428 R N 5.773 126.373 120.500 0.166 0.000 2.771 428 R HA 0.524 nan 4.340 nan 0.000 0.274 428 R C -1.352 174.932 176.300 -0.026 0.000 0.987 428 R CA -2.362 53.807 56.100 0.115 0.000 0.908 428 R CB 3.564 34.030 30.300 0.278 0.000 1.213 428 R HN 0.834 9.232 8.270 0.213 0.000 0.468 429 G N -0.716 107.881 108.800 -0.337 0.000 2.434 429 G HA2 -0.303 nan 3.960 nan 0.000 0.671 429 G HA3 -0.303 nan 3.960 nan 0.000 0.671 429 G C -1.048 173.638 174.900 -0.357 0.000 1.280 429 G CA -0.754 43.979 45.100 -0.611 0.000 0.975 429 G HN -0.343 7.949 8.290 -0.284 -0.173 0.510 430 R N 2.412 122.697 120.500 -0.357 0.000 2.467 430 R HA -0.321 nan 4.340 nan 0.000 0.278 430 R C 1.277 177.491 176.300 -0.144 0.000 0.971 430 R CA 0.689 56.649 56.100 -0.233 0.000 1.080 430 R CB -0.614 29.598 30.300 -0.147 0.000 0.855 430 R HN -0.070 7.926 8.270 -0.457 0.000 0.429 431 K N -0.453 119.869 120.400 -0.132 0.000 10.645 431 K HA -0.383 nan 4.320 nan 0.000 0.521 431 K C 1.259 177.807 176.600 -0.087 0.000 0.402 431 K CA 2.265 58.503 56.287 -0.081 0.000 1.938 431 K CB -2.507 29.970 32.500 -0.038 0.000 0.754 431 K HN 0.487 8.637 8.250 -0.167 0.000 1.186 432 Q N 2.656 122.411 119.800 -0.075 0.000 1.917 432 Q HA -0.132 nan 4.340 nan 0.000 0.205 432 Q C 0.146 176.084 176.000 -0.104 0.000 0.988 432 Q CA 1.875 57.639 55.803 -0.065 0.000 0.851 432 Q CB 0.919 29.635 28.738 -0.037 0.000 0.916 432 Q HN 0.031 8.227 8.270 -0.067 0.033 0.424 433 E N -0.598 119.516 120.200 -0.143 0.000 2.229 433 E HA 0.052 nan 4.350 nan 0.000 0.283 433 E C -0.377 176.063 176.600 -0.267 0.000 1.030 433 E CA -0.311 55.978 56.400 -0.185 0.000 0.836 433 E CB 0.742 30.325 29.700 -0.195 0.000 1.068 433 E HN -0.617 7.656 8.360 -0.145 0.000 0.401 434 T N 0.358 114.755 114.554 -0.261 0.000 3.085 434 T HA 0.301 nan 4.350 nan 0.000 0.264 434 T C 1.138 175.585 174.700 -0.422 0.000 1.019 434 T CA 0.111 61.995 62.100 -0.360 0.000 0.910 434 T CB 0.271 68.954 68.868 -0.309 0.000 1.059 434 T HN 0.425 8.542 8.240 -0.206 0.000 0.542 435 R N 2.425 122.737 120.500 -0.313 0.000 2.092 435 R HA -0.184 nan 4.340 nan 0.000 0.231 435 R C -1.010 175.097 176.300 -0.322 0.000 1.119 435 R CA 2.148 58.097 56.100 -0.251 0.000 0.970 435 R CB -0.014 30.208 30.300 -0.130 0.000 0.864 435 R HN -0.112 8.000 8.270 -0.262 0.000 0.440 436 V N -8.234 111.429 119.914 -0.419 0.000 3.109 436 V HA 0.243 nan 4.120 nan 0.000 0.317 436 V C -0.401 175.343 176.094 -0.582 0.000 1.074 436 V CA -4.108 57.917 62.300 -0.458 0.000 1.033 436 V CB 1.825 33.151 31.823 -0.829 0.000 1.111 436 V HN -0.840 7.062 8.190 -0.450 0.017 0.458 437 W N -1.559 119.603 121.300 -0.231 0.000 3.008 437 W HA 0.368 nan 4.660 nan 0.000 0.355 437 W C -0.976 175.504 176.519 -0.066 0.000 1.095 437 W CA -0.111 57.170 57.345 -0.107 0.000 1.738 437 W CB 1.535 31.011 29.460 0.026 0.000 1.091 437 W HN 0.460 8.710 8.180 0.117 0.000 0.574 438 W N -4.566 116.845 121.300 0.186 0.000 2.576 438 W HA 0.454 nan 4.660 nan 0.000 0.360 438 W C -2.148 174.417 176.519 0.077 0.000 1.109 438 W CA -1.850 55.569 57.345 0.123 0.000 1.237 438 W CB 1.648 31.178 29.460 0.117 0.000 1.369 438 W HN -0.840 6.859 8.180 -0.702 0.059 0.609 439 T N 2.715 117.486 114.554 0.362 0.000 3.103 439 T HA 0.231 nan 4.350 nan 0.000 0.352 439 T C -1.741 173.174 174.700 0.357 0.000 1.048 439 T CA -0.315 61.919 62.100 0.224 0.000 1.175 439 T CB -0.156 68.758 68.868 0.078 0.000 1.029 439 T HN 0.236 8.736 8.240 0.434 0.000 0.498 440 S N 3.236 119.253 115.700 0.528 0.000 2.798 440 S HA 0.628 nan 4.470 nan 0.000 0.312 440 S C -2.307 172.470 174.600 0.295 0.000 1.122 440 S CA -2.351 56.067 58.200 0.363 0.000 0.949 440 S CB 1.676 65.060 63.200 0.306 0.000 1.235 440 S HN 0.310 9.064 8.310 0.741 0.000 0.552 441 N N -2.123 116.717 118.700 0.232 0.000 2.591 441 N HA 0.561 nan 4.740 nan 0.000 0.263 441 N C -2.023 173.592 175.510 0.176 0.000 1.308 441 N CA -0.430 52.742 53.050 0.203 0.000 0.837 441 N CB 3.927 42.526 38.487 0.185 0.000 1.548 441 N HN 0.122 8.634 8.380 0.219 0.000 0.493 442 S N -1.769 114.025 115.700 0.157 0.000 2.638 442 S HA 0.574 nan 4.470 nan 0.000 0.302 442 S C -1.272 173.404 174.600 0.127 0.000 1.096 442 S CA -1.570 56.699 58.200 0.115 0.000 0.953 442 S CB 3.834 67.093 63.200 0.099 0.000 1.107 442 S HN 0.721 9.023 8.310 0.166 0.107 0.503 443 I N -5.260 115.365 120.570 0.092 0.000 3.217 443 I HA 1.014 nan 4.170 nan 0.000 0.308 443 I C -1.755 174.429 176.117 0.112 0.000 1.091 443 I CA -2.099 59.278 61.300 0.129 0.000 1.013 443 I CB 2.845 40.919 38.000 0.124 0.000 1.250 443 I HN -0.602 7.962 8.210 0.040 -0.330 0.496 444 V N -0.770 119.227 119.914 0.139 0.000 2.891 444 V HA 0.494 nan 4.120 nan 0.000 0.304 444 V C -2.617 173.550 176.094 0.122 0.000 1.171 444 V CA -0.413 61.960 62.300 0.123 0.000 0.943 444 V CB 3.274 35.192 31.823 0.157 0.000 1.037 444 V HN -0.299 8.002 8.190 0.186 0.000 0.427 445 V N 3.755 123.724 119.914 0.090 0.000 2.567 445 V HA 0.874 nan 4.120 nan 0.000 0.298 445 V C -2.246 173.824 176.094 -0.040 0.000 1.047 445 V CA -1.682 60.651 62.300 0.056 0.000 0.880 445 V CB 2.893 34.863 31.823 0.245 0.000 1.009 445 V HN 0.281 8.497 8.190 0.044 0.000 0.429 446 F N 7.851 127.340 119.950 -0.768 0.000 2.457 446 F HA 0.857 nan 4.527 nan 0.000 0.330 446 F C -1.189 174.130 175.800 -0.801 0.000 1.069 446 F CA -3.155 54.396 58.000 -0.749 0.000 1.009 446 F CB 3.675 42.139 39.000 -0.893 0.000 1.276 446 F HN -0.502 7.322 8.300 -0.794 0.000 0.492 447 c N -0.914 117.481 118.600 -0.342 0.000 2.888 447 c HA 0.593 nan 4.570 nan 0.000 0.308 447 c C -0.543 173.573 174.090 0.044 0.000 1.213 447 c CA -0.650 55.464 56.329 -0.359 0.000 1.461 447 c CB 4.208 46.348 42.510 -0.616 0.000 1.934 447 c HN 0.877 8.986 8.230 -0.201 0.000 0.474 448 G N 1.804 110.673 108.800 0.114 0.000 2.568 448 G HA2 0.030 nan 3.960 nan 0.000 0.231 448 G HA3 0.030 nan 3.960 nan 0.000 0.231 448 G C -1.717 173.077 174.900 -0.177 0.000 1.261 448 G CA 1.575 46.644 45.100 -0.051 0.000 0.855 448 G HN 0.366 8.635 8.290 -0.035 0.000 0.576 449 T N -0.188 114.210 114.554 -0.259 0.000 3.159 449 T HA 0.172 nan 4.350 nan 0.000 0.343 449 T C -0.689 173.953 174.700 -0.097 0.000 1.364 449 T CA -0.427 61.590 62.100 -0.137 0.000 1.102 449 T CB 1.384 70.212 68.868 -0.067 0.000 1.263 449 T HN -0.223 7.754 8.240 -0.437 0.000 0.477 450 S N 4.897 120.574 115.700 -0.038 0.000 2.575 450 S HA 0.237 nan 4.470 nan 0.000 0.215 450 S C 1.086 175.711 174.600 0.042 0.000 0.966 450 S CA -0.170 58.032 58.200 0.003 0.000 0.911 450 S CB 0.297 63.498 63.200 0.002 0.000 0.780 450 S HN 0.458 8.745 8.310 -0.038 0.000 0.514 451 G N 2.424 111.259 108.800 0.057 0.000 2.580 451 G HA2 -0.011 nan 3.960 nan 0.000 0.225 451 G HA3 -0.011 nan 3.960 nan 0.000 0.225 451 G C -1.602 173.362 174.900 0.106 0.000 1.521 451 G CA -0.513 44.630 45.100 0.072 0.000 1.068 451 G HN -0.095 8.151 8.290 0.044 0.071 0.564 452 T N -1.799 112.809 114.554 0.089 0.000 2.919 452 T HA 0.431 nan 4.350 nan 0.000 0.282 452 T C -1.438 173.343 174.700 0.135 0.000 1.020 452 T CA -0.337 61.756 62.100 -0.012 0.000 0.994 452 T CB 1.572 70.417 68.868 -0.038 0.000 1.180 452 T HN -0.160 8.131 8.240 0.085 0.000 0.566 453 Y N -4.788 115.560 120.300 0.080 0.000 2.661 453 Y HA 0.640 nan 4.550 nan 0.000 0.339 453 Y C -0.478 175.509 175.900 0.144 0.000 1.186 453 Y CA -1.296 56.873 58.100 0.115 0.000 1.137 453 Y CB 0.061 38.603 38.460 0.136 0.000 1.354 453 Y HN 0.662 8.719 8.280 -0.371 0.000 0.469 454 G N 0.190 109.197 108.800 0.345 0.000 3.086 454 G HA2 0.504 nan 3.960 nan 0.000 0.159 454 G HA3 0.504 nan 3.960 nan 0.000 0.159 454 G C -1.493 173.645 174.900 0.397 0.000 1.654 454 G CA -0.109 45.154 45.100 0.271 0.000 1.078 454 G HN 0.750 9.268 8.290 0.380 0.000 0.558 455 T N -3.604 111.147 114.554 0.328 0.000 2.894 455 T HA 0.592 nan 4.350 nan 0.000 0.309 455 T C -1.616 173.198 174.700 0.189 0.000 1.208 455 T CA -0.532 61.761 62.100 0.321 0.000 1.016 455 T CB 2.942 71.934 68.868 0.208 0.000 1.192 455 T HN -0.013 8.379 8.240 0.253 0.000 0.491 456 G N 1.668 110.521 108.800 0.087 0.000 2.490 456 G HA2 0.147 nan 3.960 nan 0.000 0.308 456 G HA3 0.147 nan 3.960 nan 0.000 0.308 456 G C -3.296 171.339 174.900 -0.442 0.000 1.286 456 G CA 0.699 45.490 45.100 -0.515 0.000 0.825 456 G HN 0.151 8.597 8.290 0.260 0.000 0.479 457 S N -0.488 114.739 115.700 -0.788 0.000 2.599 457 S HA 0.165 nan 4.470 nan 0.000 0.269 457 S C -1.596 172.908 174.600 -0.161 0.000 1.135 457 S CA 0.078 58.187 58.200 -0.151 0.000 1.027 457 S CB 1.324 64.487 63.200 -0.061 0.000 1.129 457 S HN -0.124 7.381 8.310 -1.343 0.000 0.458 458 W N 6.856 128.255 121.300 0.165 0.000 2.227 458 W HA 0.351 nan 4.660 nan 0.000 0.308 458 W C -1.498 175.098 176.519 0.128 0.000 0.882 458 W CA -2.314 55.128 57.345 0.162 0.000 1.707 458 W CB 0.284 29.889 29.460 0.242 0.000 1.782 458 W HN 0.648 9.379 8.180 0.919 0.000 0.385 459 P HA 0.093 nan 4.420 nan 0.000 0.302 459 P C -0.212 177.192 177.300 0.174 0.000 1.301 459 P CA -0.210 63.003 63.100 0.190 0.000 0.745 459 P CB 1.205 32.980 31.700 0.126 0.000 1.331 460 D N 0.066 120.550 120.400 0.140 0.000 2.103 460 D HA -0.268 nan 4.640 nan 0.000 0.199 460 D C 1.442 177.805 176.300 0.105 0.000 0.978 460 D CA 2.166 56.242 54.000 0.127 0.000 0.829 460 D CB 0.188 41.063 40.800 0.126 0.000 0.981 460 D HN 0.366 8.816 8.370 0.132 0.000 0.464 461 G N -2.866 105.984 108.800 0.084 0.000 2.199 461 G HA2 -0.304 nan 3.960 nan 0.000 0.254 461 G HA3 -0.304 nan 3.960 nan 0.000 0.254 461 G C -1.213 173.709 174.900 0.037 0.000 0.982 461 G CA -0.073 45.062 45.100 0.059 0.000 0.632 461 G HN -0.226 8.113 8.290 0.082 0.000 0.529 462 A N 1.574 124.425 122.820 0.053 0.000 2.451 462 A HA -0.102 nan 4.320 nan 0.000 0.266 462 A C -1.216 176.346 177.584 -0.037 0.000 1.119 462 A CA -0.043 52.019 52.037 0.042 0.000 0.786 462 A CB 0.272 19.335 19.000 0.104 0.000 1.061 462 A HN -0.462 7.914 8.150 0.076 -0.180 0.503 463 N N 4.005 122.599 118.700 -0.178 0.000 2.399 463 N HA -0.064 nan 4.740 nan 0.000 0.259 463 N C 1.095 176.446 175.510 -0.264 0.000 1.160 463 N CA -0.677 52.110 53.050 -0.439 0.000 0.946 463 N CB 0.544 38.265 38.487 -1.277 0.000 1.156 463 N HN 0.309 8.601 8.380 -0.146 0.000 0.489 464 I N 6.948 127.450 120.570 -0.112 0.000 2.657 464 I HA -0.444 nan 4.170 nan 0.000 0.261 464 I C -0.355 175.782 176.117 0.032 0.000 1.212 464 I CA 1.143 62.452 61.300 0.015 0.000 1.453 464 I CB 0.227 38.215 38.000 -0.020 0.000 1.092 464 I HN 0.325 8.460 8.210 -0.125 0.000 0.452 465 N N -1.078 117.588 118.700 -0.057 0.000 2.446 465 N HA -0.188 nan 4.740 nan 0.000 0.179 465 N C 1.039 176.767 175.510 0.362 0.000 1.054 465 N CA 2.630 55.737 53.050 0.096 0.000 0.905 465 N CB 0.086 38.615 38.487 0.071 0.000 0.973 465 N HN -0.318 8.147 8.380 -0.233 -0.224 0.448 466 F N -2.959 117.039 119.950 0.081 0.000 2.746 466 F HA 0.024 nan 4.527 nan 0.000 0.297 466 F C 0.492 176.348 175.800 0.093 0.000 1.113 466 F CA -0.639 57.403 58.000 0.071 0.000 1.367 466 F CB 0.449 39.482 39.000 0.056 0.000 1.111 466 F HN -0.270 7.871 8.300 0.011 0.166 0.590 467 M N 1.113 120.899 119.600 0.310 0.000 2.245 467 M HA 0.185 nan 4.480 nan 0.000 0.344 467 M C -2.240 174.241 176.300 0.302 0.000 1.170 467 M CA -3.357 52.123 55.300 0.301 0.000 1.135 467 M CB -1.181 31.714 32.600 0.492 0.000 1.574 467 M HN -0.816 7.467 8.290 0.272 0.169 0.452 468 P HA -0.032 nan 4.420 nan 0.000 0.267 468 P C -1.261 176.279 177.300 0.401 0.000 1.200 468 P CA 0.522 63.734 63.100 0.186 0.000 0.772 468 P CB 0.191 31.890 31.700 -0.001 0.000 0.855 469 I N 0.000 120.760 120.570 0.317 0.000 2.984 469 I HA 0.000 nan 4.170 nan 0.000 0.288 469 I CA 0.000 61.530 61.300 0.384 0.000 1.566 469 I CB 0.000 38.354 38.000 0.590 0.000 1.214 469 I HN 0.000 8.343 8.210 0.222 0.000 0.494