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 1inh_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 0.000 176.017 176.094 -0.128 0.000 1.182 82 V CA 0.000 62.251 62.300 -0.082 0.000 1.235 82 V CB 0.000 31.774 31.823 -0.081 0.000 1.184 83 E N 3.622 123.761 120.200 -0.101 0.000 2.254 83 E HA 0.237 nan 4.350 nan 0.000 0.261 83 E C -1.685 174.867 176.600 -0.081 0.000 1.051 83 E CA -1.240 55.105 56.400 -0.092 0.000 0.902 83 E CB 1.954 31.634 29.700 -0.033 0.000 1.168 83 E HN -0.149 8.165 8.360 -0.077 0.000 0.423 84 Y N -0.560 119.743 120.300 0.006 0.000 2.307 84 Y HA -0.004 nan 4.550 nan 0.000 0.324 84 Y C -0.073 175.814 175.900 -0.022 0.000 1.238 84 Y CA 0.022 58.131 58.100 0.016 0.000 1.280 84 Y CB 1.076 39.561 38.460 0.042 0.000 1.248 84 Y HN 0.082 8.441 8.280 0.132 0.000 0.508 85 R N 0.896 121.508 120.500 0.186 0.000 2.615 85 R HA 0.051 nan 4.340 nan 0.000 0.270 85 R C -0.615 175.729 176.300 0.074 0.000 1.081 85 R CA 0.362 56.445 56.100 -0.028 0.000 1.154 85 R CB 0.887 31.107 30.300 -0.132 0.000 1.063 85 R HN 0.433 8.888 8.270 0.308 0.000 0.519 86 N N -0.451 118.273 118.700 0.040 0.000 1.895 86 N HA -0.079 nan 4.740 nan 0.000 0.243 86 N C -1.011 174.739 175.510 0.400 0.000 1.350 86 N CA 0.329 53.527 53.050 0.246 0.000 0.789 86 N CB 1.248 39.817 38.487 0.136 0.000 1.195 86 N HN 0.406 8.681 8.380 -0.176 0.000 0.489 87 W N -3.637 117.661 121.300 -0.004 0.000 5.563 87 W HA -0.297 nan 4.660 nan 0.000 0.396 87 W C -0.083 176.331 176.519 -0.175 0.000 1.519 87 W CA -0.173 57.153 57.345 -0.030 0.000 0.953 87 W CB -3.075 26.423 29.460 0.064 0.000 2.691 87 W HN 0.067 8.187 8.180 -0.099 0.000 1.444 88 S N -0.369 115.202 115.700 -0.215 0.000 2.994 88 S HA 0.070 nan 4.470 nan 0.000 0.247 88 S C -0.667 173.838 174.600 -0.158 0.000 1.323 88 S CA 0.377 58.291 58.200 -0.475 0.000 1.246 88 S CB -0.548 62.222 63.200 -0.717 0.000 0.994 88 S HN 0.033 8.392 8.310 -0.194 -0.165 0.484 89 K N 1.621 122.013 120.400 -0.014 0.000 2.316 89 K HA 0.370 nan 4.320 nan 0.000 0.251 89 K C -2.443 174.191 176.600 0.056 0.000 0.934 89 K CA -2.912 53.387 56.287 0.021 0.000 0.802 89 K CB 1.051 33.572 32.500 0.035 0.000 1.171 89 K HN -0.705 7.492 8.250 0.059 0.088 0.426 90 P HA -0.104 nan 4.420 nan 0.000 0.268 90 P C -1.247 176.080 177.300 0.046 0.000 1.204 90 P CA -0.393 62.738 63.100 0.052 0.000 0.768 90 P CB 0.508 32.233 31.700 0.042 0.000 0.842 91 Q N 2.690 122.516 119.800 0.043 0.000 2.361 91 Q HA -0.141 nan 4.340 nan 0.000 0.276 91 Q C -0.437 175.575 176.000 0.019 0.000 1.022 91 Q CA 0.323 56.133 55.803 0.012 0.000 0.898 91 Q CB 0.804 29.544 28.738 0.003 0.000 1.246 91 Q HN 0.168 8.470 8.270 0.053 0.000 0.410 92 c N 6.015 124.610 118.600 -0.009 0.000 2.632 92 c HA -0.036 nan 4.570 nan 0.000 0.415 92 c C 0.248 174.350 174.090 0.019 0.000 1.332 92 c CA 0.406 56.732 56.329 -0.005 0.000 1.874 92 c CB -0.300 42.186 42.510 -0.039 0.000 2.596 92 c HN 0.170 8.376 8.230 -0.040 0.000 0.590 93 Q N 4.200 124.023 119.800 0.039 0.000 2.325 93 Q HA 0.037 nan 4.340 nan 0.000 0.256 93 Q C -0.575 175.447 176.000 0.036 0.000 1.142 93 Q CA -0.052 55.796 55.803 0.074 0.000 0.902 93 Q CB -0.626 28.159 28.738 0.079 0.000 1.350 93 Q HN 0.309 8.598 8.270 0.032 0.000 0.449 94 I N -0.211 120.354 120.570 -0.008 0.000 3.110 94 I HA 0.587 nan 4.170 nan 0.000 0.314 94 I C -0.586 175.469 176.117 -0.102 0.000 1.020 94 I CA -1.420 59.775 61.300 -0.176 0.000 1.169 94 I CB 1.696 39.424 38.000 -0.453 0.000 1.437 94 I HN -0.365 7.872 8.210 0.047 0.000 0.595 95 T N 0.834 115.277 114.554 -0.185 0.000 3.130 95 T HA 0.337 nan 4.350 nan 0.000 0.288 95 T C -1.283 173.482 174.700 0.108 0.000 0.936 95 T CA -0.388 61.777 62.100 0.108 0.000 0.897 95 T CB 1.584 70.562 68.868 0.183 0.000 1.178 95 T HN 0.777 8.839 8.240 -0.298 0.000 0.543 96 G N 0.432 108.867 108.800 -0.609 0.000 2.357 96 G HA2 -0.022 nan 3.960 nan 0.000 0.289 96 G HA3 -0.022 nan 3.960 nan 0.000 0.289 96 G C -3.513 170.666 174.900 -1.203 0.000 1.302 96 G CA 0.689 45.239 45.100 -0.917 0.000 0.936 96 G HN -0.775 6.993 8.290 -0.869 0.000 0.513 97 F N 0.209 119.902 119.950 -0.429 0.000 2.467 97 F HA 0.533 nan 4.527 nan 0.000 0.336 97 F C -1.012 174.713 175.800 -0.125 0.000 1.123 97 F CA -1.862 56.013 58.000 -0.208 0.000 0.964 97 F CB 2.039 41.026 39.000 -0.020 0.000 1.136 97 F HN -0.091 8.113 8.300 -0.734 -0.344 0.447 98 A N 4.779 127.662 122.820 0.106 0.000 2.293 98 A HA 0.521 nan 4.320 nan 0.000 0.302 98 A C -2.898 174.708 177.584 0.038 0.000 1.119 98 A CA -2.680 49.419 52.037 0.103 0.000 0.823 98 A CB 0.618 19.650 19.000 0.053 0.000 1.097 98 A HN 0.859 9.047 8.150 0.062 0.000 0.491 99 P HA 0.096 nan 4.420 nan 0.000 0.271 99 P C -1.709 175.325 177.300 -0.444 0.000 1.220 99 P CA 0.989 63.557 63.100 -0.886 0.000 0.768 99 P CB 0.298 31.573 31.700 -0.709 0.000 0.848 100 F N 5.774 125.287 119.950 -0.728 0.000 2.729 100 F HA 0.305 nan 4.527 nan 0.000 0.304 100 F C -0.826 174.784 175.800 -0.316 0.000 1.008 100 F CA -0.463 57.304 58.000 -0.388 0.000 1.188 100 F CB 2.738 41.582 39.000 -0.261 0.000 0.980 100 F HN 0.135 7.904 8.300 -0.886 0.000 0.627 101 S N -2.488 112.954 115.700 -0.431 0.000 2.611 101 S HA 0.131 nan 4.470 nan 0.000 0.270 101 S C -2.851 171.582 174.600 -0.279 0.000 1.131 101 S CA 0.257 58.213 58.200 -0.406 0.000 0.826 101 S CB 1.230 64.165 63.200 -0.442 0.000 1.095 101 S HN 0.047 8.087 8.310 -0.450 0.000 0.461 102 K N 0.571 120.847 120.400 -0.208 0.000 2.587 102 K HA 0.226 nan 4.320 nan 0.000 0.276 102 K C -2.282 174.251 176.600 -0.111 0.000 0.956 102 K CA -0.244 55.975 56.287 -0.114 0.000 0.857 102 K CB 2.374 34.827 32.500 -0.078 0.000 1.431 102 K HN -0.160 7.952 8.250 -0.229 0.000 0.420 103 D N 1.546 121.899 120.400 -0.078 0.000 2.527 103 D HA 0.143 nan 4.640 nan 0.000 0.224 103 D C -0.066 176.197 176.300 -0.061 0.000 1.217 103 D CA -0.539 53.398 54.000 -0.104 0.000 0.819 103 D CB 0.226 40.921 40.800 -0.175 0.000 1.061 103 D HN 0.153 8.500 8.370 -0.039 0.000 0.515 104 N N -1.104 117.588 118.700 -0.013 0.000 2.677 104 N HA -0.447 nan 4.740 nan 0.000 0.249 104 N C 1.190 176.710 175.510 0.018 0.000 1.073 104 N CA 1.436 54.497 53.050 0.018 0.000 0.737 104 N CB -0.935 37.562 38.487 0.017 0.000 0.999 104 N HN 0.174 8.553 8.380 -0.001 0.000 0.543 105 S N -0.573 115.134 115.700 0.012 0.000 2.380 105 S HA -0.396 nan 4.470 nan 0.000 0.229 105 S C 1.100 175.721 174.600 0.035 0.000 1.043 105 S CA 4.099 62.314 58.200 0.024 0.000 1.038 105 S CB -0.099 63.129 63.200 0.047 0.000 0.872 105 S HN -0.102 8.462 8.310 0.001 -0.253 0.456 106 I N -1.346 119.259 120.570 0.058 0.000 2.286 106 I HA -0.272 nan 4.170 nan 0.000 0.245 106 I C 1.509 177.656 176.117 0.051 0.000 1.104 106 I CA 1.245 62.577 61.300 0.054 0.000 1.397 106 I CB -1.092 36.985 38.000 0.129 0.000 1.072 106 I HN 0.047 8.285 8.210 0.075 0.016 0.417 107 R N -0.865 119.676 120.500 0.068 0.000 2.080 107 R HA -0.267 nan 4.340 nan 0.000 0.236 107 R C 3.069 179.394 176.300 0.042 0.000 1.137 107 R CA 3.131 59.275 56.100 0.073 0.000 0.943 107 R CB -0.210 30.135 30.300 0.074 0.000 0.846 107 R HN -0.764 7.548 8.270 0.071 0.000 0.431 108 L N -1.729 119.507 121.223 0.022 0.000 2.265 108 L HA -0.258 nan 4.340 nan 0.000 0.215 108 L C 2.311 179.175 176.870 -0.009 0.000 1.117 108 L CA 2.510 57.353 54.840 0.004 0.000 0.782 108 L CB -0.412 41.647 42.059 -0.000 0.000 0.914 108 L HN -0.341 7.904 8.230 0.025 0.000 0.441 109 S N -0.487 115.200 115.700 -0.021 0.000 2.515 109 S HA -0.175 nan 4.470 nan 0.000 0.231 109 S C 0.211 174.766 174.600 -0.075 0.000 0.987 109 S CA 2.613 60.772 58.200 -0.069 0.000 0.936 109 S CB -0.372 62.747 63.200 -0.135 0.000 0.766 109 S HN -0.360 7.774 8.310 -0.009 0.171 0.528 110 A N -0.900 121.905 122.820 -0.025 0.000 2.218 110 A HA 0.150 nan 4.320 nan 0.000 0.209 110 A C -0.143 177.434 177.584 -0.010 0.000 1.168 110 A CA 0.501 52.538 52.037 0.000 0.000 0.804 110 A CB 0.379 19.416 19.000 0.061 0.000 0.834 110 A HN -0.495 7.473 8.150 -0.004 0.180 0.482 111 G N -1.820 106.968 108.800 -0.020 0.000 3.829 111 G HA2 0.107 nan 3.960 nan 0.000 0.289 111 G HA3 0.107 nan 3.960 nan 0.000 0.289 111 G C -1.777 173.105 174.900 -0.029 0.000 1.274 111 G CA 0.275 45.360 45.100 -0.026 0.000 0.698 111 G HN -0.633 7.469 8.290 -0.020 0.176 0.488 112 G N 0.235 109.013 108.800 -0.036 0.000 2.329 112 G HA2 -0.205 nan 3.960 nan 0.000 0.308 112 G HA3 -0.205 nan 3.960 nan 0.000 0.308 112 G C -2.661 172.214 174.900 -0.041 0.000 1.587 112 G CA -0.242 44.839 45.100 -0.033 0.000 0.978 112 G HN -0.548 7.715 8.290 -0.043 0.000 0.685 113 D N 1.996 122.374 120.400 -0.036 0.000 2.435 113 D HA 0.135 nan 4.640 nan 0.000 0.230 113 D C -1.139 175.151 176.300 -0.016 0.000 1.215 113 D CA 0.118 54.084 54.000 -0.056 0.000 0.947 113 D CB -0.702 40.060 40.800 -0.062 0.000 1.048 113 D HN 0.074 8.428 8.370 -0.027 0.000 0.512 114 I N 0.326 120.881 120.570 -0.024 0.000 2.569 114 I HA 0.439 nan 4.170 nan 0.000 0.296 114 I C -0.684 175.474 176.117 0.067 0.000 1.028 114 I CA -2.139 59.204 61.300 0.071 0.000 1.082 114 I CB 2.536 40.574 38.000 0.063 0.000 1.264 114 I HN -0.617 7.553 8.210 -0.067 0.000 0.429 115 W N 5.242 126.560 121.300 0.031 0.000 2.148 115 W HA -0.083 nan 4.660 nan 0.000 0.347 115 W C -0.414 176.112 176.519 0.010 0.000 1.288 115 W CA 1.512 58.867 57.345 0.016 0.000 1.252 115 W CB 0.439 29.909 29.460 0.018 0.000 1.156 115 W HN 0.580 9.071 8.180 0.518 0.000 0.580 116 V N 2.717 122.845 119.914 0.355 0.000 2.432 116 V HA 0.355 nan 4.120 nan 0.000 0.275 116 V C -0.653 175.610 176.094 0.283 0.000 1.043 116 V CA -0.419 62.022 62.300 0.235 0.000 0.925 116 V CB -0.013 31.917 31.823 0.178 0.000 0.985 116 V HN -0.020 8.406 8.190 0.394 0.000 0.466 117 T N 4.760 119.437 114.554 0.204 0.000 2.573 117 T HA 0.506 nan 4.350 nan 0.000 0.259 117 T C -2.006 172.768 174.700 0.122 0.000 0.886 117 T CA -2.393 59.784 62.100 0.128 0.000 1.110 117 T CB 2.653 71.559 68.868 0.063 0.000 1.421 117 T HN 0.232 8.591 8.240 0.199 0.000 0.523 118 R N -2.401 118.151 120.500 0.086 0.000 3.247 118 R HA -0.036 nan 4.340 nan 0.000 0.284 118 R C -1.225 175.112 176.300 0.061 0.000 0.957 118 R CA 0.319 56.461 56.100 0.071 0.000 0.824 118 R CB 2.574 32.897 30.300 0.038 0.000 1.367 118 R HN 0.024 8.326 8.270 0.053 0.000 0.529 119 E N -2.028 118.188 120.200 0.025 0.000 2.273 119 E HA -0.307 nan 4.350 nan 0.000 0.177 119 E C -2.484 174.256 176.600 0.233 0.000 1.511 119 E CA 0.682 57.149 56.400 0.111 0.000 0.675 119 E CB -1.905 27.855 29.700 0.101 0.000 1.094 119 E HN -0.039 8.401 8.360 -0.058 -0.115 0.348 120 P HA 0.374 nan 4.420 nan 0.000 0.297 120 P C -2.083 175.206 177.300 -0.018 0.000 1.307 120 P CA -0.697 62.473 63.100 0.116 0.000 0.773 120 P CB 1.424 33.188 31.700 0.107 0.000 1.265 121 Y N -8.897 111.126 120.300 -0.463 0.000 2.889 121 Y HA 0.086 nan 4.550 nan 0.000 0.379 121 Y C -3.414 172.329 175.900 -0.262 0.000 1.179 121 Y CA -0.685 56.939 58.100 -0.794 0.000 1.178 121 Y CB 0.745 39.014 38.460 -0.318 0.000 1.460 121 Y HN -0.188 7.956 8.280 -0.226 0.000 0.472 122 V N -1.934 117.972 119.914 -0.013 0.000 3.007 122 V HA 0.818 nan 4.120 nan 0.000 0.311 122 V C -2.768 173.358 176.094 0.053 0.000 1.120 122 V CA -1.941 60.341 62.300 -0.030 0.000 0.980 122 V CB 3.417 35.032 31.823 -0.347 0.000 1.033 122 V HN -0.083 8.132 8.190 0.043 0.000 0.429 123 S N 1.630 117.467 115.700 0.228 0.000 2.626 123 S HA 0.341 nan 4.470 nan 0.000 0.275 123 S C -1.140 173.697 174.600 0.395 0.000 1.175 123 S CA -0.569 57.827 58.200 0.326 0.000 0.982 123 S CB 2.433 65.973 63.200 0.566 0.000 1.093 123 S HN 0.164 8.667 8.310 0.321 0.000 0.472 124 c N 7.043 125.763 118.600 0.200 0.000 2.415 124 c HA 0.377 nan 4.570 nan 0.000 0.369 124 c C -0.283 173.853 174.090 0.076 0.000 1.279 124 c CA -0.461 55.972 56.329 0.174 0.000 1.886 124 c CB 0.229 42.822 42.510 0.139 0.000 2.468 124 c HN 1.059 9.388 8.230 0.165 0.000 0.553 125 D N 7.706 128.156 120.400 0.083 0.000 2.423 125 D HA 0.299 nan 4.640 nan 0.000 0.255 125 D C -1.733 174.395 176.300 -0.285 0.000 1.174 125 D CA -1.248 52.543 54.000 -0.349 0.000 1.008 125 D CB -0.431 40.194 40.800 -0.291 0.000 1.101 125 D HN 0.005 8.562 8.370 0.312 0.000 0.516 126 P HA -0.208 nan 4.420 nan 0.000 0.218 126 P C -1.155 176.060 177.300 -0.142 0.000 1.147 126 P CA 1.219 64.162 63.100 -0.262 0.000 0.827 126 P CB 0.129 31.676 31.700 -0.255 0.000 0.778 127 V N -7.203 112.655 119.914 -0.093 0.000 2.627 127 V HA 0.040 nan 4.120 nan 0.000 0.239 127 V C -0.567 175.511 176.094 -0.028 0.000 1.077 127 V CA 0.928 63.205 62.300 -0.038 0.000 1.103 127 V CB 1.741 33.560 31.823 -0.007 0.000 0.802 127 V HN -0.391 7.968 8.190 -0.109 -0.234 0.482 128 K N -2.578 117.812 120.400 -0.017 0.000 2.512 128 K HA 0.241 nan 4.320 nan 0.000 0.263 128 K C -1.889 174.593 176.600 -0.195 0.000 0.966 128 K CA -1.811 54.401 56.287 -0.125 0.000 0.851 128 K CB 2.852 35.209 32.500 -0.238 0.000 1.395 128 K HN -0.270 8.327 8.250 0.064 -0.309 0.440 129 c N 1.562 120.046 118.600 -0.193 0.000 2.514 129 c HA 0.380 nan 4.570 nan 0.000 0.392 129 c C -0.479 173.374 174.090 -0.395 0.000 1.294 129 c CA 0.594 56.837 56.329 -0.144 0.000 1.957 129 c CB -0.893 41.597 42.510 -0.032 0.000 2.541 129 c HN 0.679 8.820 8.230 -0.149 0.000 0.569 130 Y N 3.440 123.742 120.300 0.002 0.000 2.468 130 Y HA 0.333 nan 4.550 nan 0.000 0.342 130 Y C -1.958 173.791 175.900 -0.252 0.000 1.021 130 Y CA -1.507 56.490 58.100 -0.172 0.000 1.079 130 Y CB 3.549 41.841 38.460 -0.280 0.000 1.226 130 Y HN 0.389 8.838 8.280 0.282 0.000 0.460 131 Q N -0.558 119.116 119.800 -0.211 0.000 2.322 131 Q HA 0.721 nan 4.340 nan 0.000 0.265 131 Q C -1.250 174.643 176.000 -0.179 0.000 0.985 131 Q CA -1.723 53.983 55.803 -0.162 0.000 0.849 131 Q CB 2.157 30.796 28.738 -0.166 0.000 1.274 131 Q HN 0.469 8.504 8.270 -0.215 0.106 0.449 132 F N 3.970 123.770 119.950 -0.250 0.000 2.509 132 F HA 0.807 nan 4.527 nan 0.000 0.334 132 F C -1.344 174.189 175.800 -0.445 0.000 1.060 132 F CA -1.802 55.895 58.000 -0.505 0.000 0.997 132 F CB 3.814 42.133 39.000 -1.136 0.000 1.271 132 F HN 0.797 9.002 8.300 0.021 0.107 0.488 133 A N -2.513 120.130 122.820 -0.296 0.000 2.544 133 A HA 0.472 nan 4.320 nan 0.000 0.291 133 A C -2.648 174.788 177.584 -0.247 0.000 1.055 133 A CA 0.152 52.062 52.037 -0.211 0.000 0.651 133 A CB 2.805 21.690 19.000 -0.192 0.000 1.296 133 A HN -0.061 7.888 8.150 -0.335 0.000 0.431 134 L N 0.256 121.410 121.223 -0.116 0.000 2.321 134 L HA 0.459 nan 4.340 nan 0.000 0.272 134 L C -0.330 176.473 176.870 -0.110 0.000 1.050 134 L CA -2.300 52.483 54.840 -0.095 0.000 0.893 134 L CB -0.254 41.826 42.059 0.035 0.000 1.272 134 L HN 0.037 8.243 8.230 -0.040 0.000 0.435 135 G N 1.246 109.885 108.800 -0.268 0.000 2.467 135 G HA2 0.109 nan 3.960 nan 0.000 0.257 135 G HA3 0.109 nan 3.960 nan 0.000 0.257 135 G C -1.093 173.874 174.900 0.112 0.000 1.227 135 G CA -0.780 44.232 45.100 -0.147 0.000 0.835 135 G HN -0.142 7.893 8.290 -0.426 0.000 0.556 136 Q N 4.476 124.464 119.800 0.312 0.000 2.938 136 Q HA -0.164 nan 4.340 nan 0.000 0.343 136 Q C 0.342 176.574 176.000 0.387 0.000 1.185 136 Q CA -0.915 55.072 55.803 0.307 0.000 0.939 136 Q CB -0.980 27.899 28.738 0.234 0.000 1.480 136 Q HN 0.043 8.522 8.270 0.349 0.000 0.442 137 G N 0.428 109.580 108.800 0.586 0.000 2.422 137 G HA2 -0.514 nan 3.960 nan 0.000 0.301 137 G HA3 -0.514 nan 3.960 nan 0.000 0.301 137 G C -1.837 173.129 174.900 0.111 0.000 0.981 137 G CA 1.082 46.465 45.100 0.471 0.000 0.994 137 G HN -0.291 8.280 8.290 0.588 0.072 0.514 138 T N -3.566 110.889 114.554 -0.166 0.000 2.722 138 T HA 0.222 nan 4.350 nan 0.000 0.314 138 T C -2.025 172.338 174.700 -0.562 0.000 1.675 138 T CA -0.778 61.114 62.100 -0.348 0.000 1.003 138 T CB 2.391 71.257 68.868 -0.003 0.000 1.602 138 T HN -0.532 7.775 8.240 0.166 0.032 0.496 139 T N -0.595 113.684 114.554 -0.458 0.000 2.936 139 T HA 0.817 nan 4.350 nan 0.000 0.282 139 T C -0.113 174.460 174.700 -0.212 0.000 1.003 139 T CA -2.025 59.848 62.100 -0.380 0.000 1.005 139 T CB 1.694 70.335 68.868 -0.378 0.000 1.097 139 T HN -0.126 8.101 8.240 -0.369 -0.208 0.532 140 L N 0.071 121.167 121.223 -0.212 0.000 1.994 140 L HA -0.204 nan 4.340 nan 0.000 0.208 140 L C -0.232 176.471 176.870 -0.278 0.000 1.071 140 L CA 3.474 58.127 54.840 -0.312 0.000 0.745 140 L CB 0.482 42.280 42.059 -0.436 0.000 0.892 140 L HN 0.119 8.233 8.230 -0.192 0.000 0.431 141 D N -3.796 116.478 120.400 -0.209 0.000 2.845 141 D HA -0.004 nan 4.640 nan 0.000 0.235 141 D C -1.394 174.831 176.300 -0.124 0.000 1.158 141 D CA -0.411 53.507 54.000 -0.137 0.000 0.990 141 D CB -1.497 39.241 40.800 -0.103 0.000 1.094 141 D HN -0.119 8.131 8.370 -0.199 0.000 0.486 142 N N -0.331 118.294 118.700 -0.124 0.000 2.380 142 N HA 0.143 nan 4.740 nan 0.000 0.290 142 N C -0.366 175.083 175.510 -0.101 0.000 1.236 142 N CA -0.902 52.056 53.050 -0.153 0.000 0.780 142 N CB 2.464 40.848 38.487 -0.173 0.000 1.438 142 N HN -0.681 7.550 8.380 -0.110 0.084 0.491 143 K N 0.032 120.336 120.400 -0.160 0.000 2.400 143 K HA -0.008 nan 4.320 nan 0.000 0.194 143 K C 1.337 177.963 176.600 0.044 0.000 1.033 143 K CA 1.683 57.930 56.287 -0.065 0.000 1.021 143 K CB 0.212 32.658 32.500 -0.089 0.000 0.808 143 K HN 0.552 8.638 8.250 -0.273 0.000 0.505 144 H N -1.205 117.853 119.070 -0.019 0.000 2.555 144 H HA -0.048 nan 4.556 nan 0.000 0.269 144 H C 0.649 176.003 175.328 0.042 0.000 0.988 144 H CA 1.008 57.054 56.048 -0.004 0.000 1.178 144 H CB -0.177 29.563 29.762 -0.038 0.000 1.373 144 H HN 0.261 8.397 8.280 -0.137 0.062 0.588 145 S N -1.142 114.657 115.700 0.165 0.000 2.447 145 S HA -0.262 nan 4.470 nan 0.000 0.233 145 S C 0.411 175.169 174.600 0.263 0.000 1.006 145 S CA 1.027 59.343 58.200 0.194 0.000 0.957 145 S CB 0.440 63.727 63.200 0.145 0.000 0.773 145 S HN -0.431 7.781 8.310 0.106 0.162 0.507 146 N N 2.419 121.251 118.700 0.220 0.000 2.359 146 N HA -0.292 nan 4.740 nan 0.000 0.261 146 N C -0.458 175.168 175.510 0.193 0.000 1.267 146 N CA 1.661 54.831 53.050 0.200 0.000 0.864 146 N CB -0.103 38.410 38.487 0.044 0.000 1.063 146 N HN -0.865 7.589 8.380 0.177 0.032 0.474 147 D N 1.786 122.318 120.400 0.219 0.000 2.873 147 D HA -0.342 nan 4.640 nan 0.000 0.228 147 D C -0.003 176.343 176.300 0.077 0.000 1.122 147 D CA 1.454 55.536 54.000 0.137 0.000 0.758 147 D CB -0.425 40.504 40.800 0.215 0.000 1.094 147 D HN 0.294 8.840 8.370 0.293 0.000 0.434 148 T N -7.470 107.155 114.554 0.119 0.000 3.272 148 T HA 0.096 nan 4.350 nan 0.000 0.250 148 T C 0.520 175.237 174.700 0.028 0.000 1.082 148 T CA 0.302 62.475 62.100 0.122 0.000 0.968 148 T CB -0.412 68.578 68.868 0.203 0.000 1.015 148 T HN -0.310 8.038 8.240 0.181 0.000 0.563 149 V N -1.473 118.359 119.914 -0.136 0.000 2.809 149 V HA -0.115 nan 4.120 nan 0.000 0.256 149 V C 0.863 176.870 176.094 -0.144 0.000 1.080 149 V CA 1.291 63.501 62.300 -0.152 0.000 1.102 149 V CB -0.970 30.730 31.823 -0.205 0.000 0.705 149 V HN -0.256 7.717 8.190 -0.208 0.092 0.475 150 H N 0.152 119.250 119.070 0.047 0.000 2.964 150 H HA 0.011 nan 4.556 nan 0.000 0.328 150 H C 0.474 175.800 175.328 -0.003 0.000 1.030 150 H CA 0.240 56.295 56.048 0.011 0.000 1.445 150 H CB 0.321 30.087 29.762 0.007 0.000 1.449 150 H HN -0.776 7.181 8.280 -0.474 0.038 0.581 151 D N 2.683 123.127 120.400 0.073 0.000 2.183 151 D HA -0.127 nan 4.640 nan 0.000 0.203 151 D C -0.201 176.071 176.300 -0.046 0.000 0.969 151 D CA 2.330 56.334 54.000 0.006 0.000 0.842 151 D CB 0.297 41.077 40.800 -0.034 0.000 0.957 151 D HN 0.298 8.716 8.370 0.079 0.000 0.484 152 R N -2.518 117.897 120.500 -0.141 0.000 2.561 152 R HA 0.246 nan 4.340 nan 0.000 0.297 152 R C -1.761 174.452 176.300 -0.146 0.000 0.969 152 R CA -0.617 55.310 56.100 -0.289 0.000 0.879 152 R CB 2.268 32.078 30.300 -0.817 0.000 1.178 152 R HN -0.221 7.985 8.270 -0.107 0.000 0.445 153 I N -1.870 118.681 120.570 -0.031 0.000 2.918 153 I HA 0.460 nan 4.170 nan 0.000 0.301 153 I C -2.447 173.648 176.117 -0.037 0.000 1.312 153 I CA -3.720 57.549 61.300 -0.052 0.000 1.007 153 I CB 2.642 40.641 38.000 -0.002 0.000 1.281 153 I HN -0.109 8.143 8.210 0.069 0.000 0.440 154 P HA -0.071 nan 4.420 nan 0.000 0.217 154 P C -0.267 176.939 177.300 -0.156 0.000 1.150 154 P CA 1.456 64.428 63.100 -0.214 0.000 0.832 154 P CB 0.390 31.876 31.700 -0.357 0.000 0.787 155 H N -2.081 117.037 119.070 0.079 0.000 3.319 155 H HA 0.124 nan 4.556 nan 0.000 0.213 155 H C -1.022 174.374 175.328 0.113 0.000 1.782 155 H CA -0.467 55.629 56.048 0.080 0.000 1.339 155 H CB -2.557 27.239 29.762 0.057 0.000 1.651 155 H HN 0.249 7.955 8.280 -0.914 0.026 0.622 156 R N 0.231 120.820 120.500 0.149 0.000 2.621 156 R HA 0.569 nan 4.340 nan 0.000 0.284 156 R C -1.977 174.343 176.300 0.033 0.000 0.998 156 R CA -0.629 55.544 56.100 0.122 0.000 0.895 156 R CB 3.616 34.013 30.300 0.162 0.000 1.195 156 R HN -0.213 8.053 8.270 0.104 0.067 0.450 157 T N 0.993 115.514 114.554 -0.054 0.000 2.843 157 T HA 0.601 nan 4.350 nan 0.000 0.302 157 T C -2.617 171.940 174.700 -0.240 0.000 1.232 157 T CA -1.502 60.511 62.100 -0.145 0.000 1.009 157 T CB 3.216 71.986 68.868 -0.163 0.000 1.254 157 T HN 0.386 8.586 8.240 -0.066 0.000 0.504 158 L N 2.427 123.509 121.223 -0.234 0.000 2.356 158 L HA 0.416 nan 4.340 nan 0.000 0.282 158 L C -1.251 175.400 176.870 -0.365 0.000 1.132 158 L CA -1.090 53.605 54.840 -0.242 0.000 0.923 158 L CB 0.115 42.077 42.059 -0.161 0.000 1.278 158 L HN 0.106 8.211 8.230 -0.209 0.000 0.436 159 L N 5.873 126.754 121.223 -0.571 0.000 2.439 159 L HA 0.261 nan 4.340 nan 0.000 0.269 159 L C -1.355 175.139 176.870 -0.627 0.000 1.179 159 L CA 0.280 54.648 54.840 -0.788 0.000 0.828 159 L CB 0.432 41.671 42.059 -1.366 0.000 1.106 159 L HN -0.190 7.691 8.230 -0.582 0.000 0.467 160 M N 1.534 120.826 119.600 -0.514 0.000 2.234 160 M HA 0.212 nan 4.480 nan 0.000 0.267 160 M C -2.655 173.466 176.300 -0.299 0.000 1.022 160 M CA 0.043 55.016 55.300 -0.546 0.000 0.993 160 M CB 2.320 34.487 32.600 -0.721 0.000 1.836 160 M HN -0.417 7.592 8.290 -0.468 0.000 0.479 161 N N 4.775 123.407 118.700 -0.112 0.000 2.966 161 N HA 0.399 nan 4.740 nan 0.000 0.314 161 N C -2.024 173.461 175.510 -0.042 0.000 1.397 161 N CA -1.049 51.968 53.050 -0.056 0.000 0.776 161 N CB 3.926 42.371 38.487 -0.071 0.000 1.576 161 N HN -0.148 8.200 8.380 -0.054 0.000 0.592 162 E N 0.162 120.318 120.200 -0.072 0.000 2.349 162 E HA 0.220 nan 4.350 nan 0.000 0.262 162 E C -0.580 175.858 176.600 -0.270 0.000 1.088 162 E CA -0.384 55.870 56.400 -0.243 0.000 0.899 162 E CB 1.368 30.912 29.700 -0.261 0.000 1.044 162 E HN 0.100 8.423 8.360 -0.063 0.000 0.420 163 L N 3.708 124.742 121.223 -0.316 0.000 2.477 163 L HA -0.220 nan 4.340 nan 0.000 0.272 163 L C -0.299 176.405 176.870 -0.277 0.000 1.157 163 L CA 1.487 56.162 54.840 -0.275 0.000 0.889 163 L CB -0.343 41.566 42.059 -0.249 0.000 1.158 163 L HN 0.224 8.128 8.230 -0.401 0.085 0.473 164 G N 4.529 113.168 108.800 -0.269 0.000 2.491 164 G HA2 -0.179 nan 3.960 nan 0.000 0.203 164 G HA3 -0.179 nan 3.960 nan 0.000 0.203 164 G C -1.110 173.660 174.900 -0.217 0.000 1.052 164 G CA -0.391 44.564 45.100 -0.241 0.000 0.675 164 G HN -0.132 7.988 8.290 -0.282 0.000 0.504 165 V N 3.578 123.364 119.914 -0.212 0.000 2.427 165 V HA 0.412 nan 4.120 nan 0.000 0.268 165 V C -1.956 173.988 176.094 -0.249 0.000 1.046 165 V CA -3.443 58.761 62.300 -0.161 0.000 0.970 165 V CB 0.165 31.939 31.823 -0.083 0.000 1.001 165 V HN -0.527 7.456 8.190 -0.224 0.072 0.476 166 P HA 0.059 nan 4.420 nan 0.000 0.274 166 P C -0.995 176.148 177.300 -0.262 0.000 1.260 166 P CA -0.934 61.969 63.100 -0.328 0.000 0.793 166 P CB 0.800 32.419 31.700 -0.134 0.000 1.048 167 F N -1.111 118.837 119.950 -0.005 0.000 2.566 167 F HA 0.132 nan 4.527 nan 0.000 0.349 167 F C -0.460 175.401 175.800 0.101 0.000 1.245 167 F CA -1.306 56.651 58.000 -0.072 0.000 1.169 167 F CB -1.543 37.388 39.000 -0.116 0.000 1.470 167 F HN 0.413 8.488 8.300 -0.375 0.000 0.634 168 H N 0.069 119.296 119.070 0.263 0.000 2.497 168 H HA 0.546 nan 4.556 nan 0.000 0.348 168 H C 0.685 176.178 175.328 0.274 0.000 1.335 168 H CA -2.473 53.698 56.048 0.204 0.000 1.395 168 H CB 1.312 31.121 29.762 0.079 0.000 1.658 168 H HN -0.018 8.031 8.280 -0.319 0.039 0.613 169 L N -1.156 120.229 121.223 0.271 0.000 2.651 169 L HA -0.229 nan 4.340 nan 0.000 0.236 169 L C 0.632 177.624 176.870 0.204 0.000 1.173 169 L CA 1.604 56.555 54.840 0.184 0.000 0.843 169 L CB -0.424 41.683 42.059 0.080 0.000 0.964 169 L HN 0.389 8.779 8.230 0.267 0.000 0.454 170 G N -3.583 105.370 108.800 0.254 0.000 3.651 170 G HA2 0.196 nan 3.960 nan 0.000 0.279 170 G HA3 0.196 nan 3.960 nan 0.000 0.279 170 G C -0.471 174.427 174.900 -0.003 0.000 1.024 170 G CA -0.383 44.826 45.100 0.181 0.000 0.813 170 G HN -0.611 7.805 8.290 0.360 0.090 0.518 171 T N 2.444 116.882 114.554 -0.193 0.000 2.884 171 T HA 0.019 nan 4.350 nan 0.000 0.298 171 T C -0.016 174.596 174.700 -0.146 0.000 0.998 171 T CA 0.962 62.921 62.100 -0.235 0.000 1.124 171 T CB 0.279 68.984 68.868 -0.270 0.000 0.931 171 T HN -0.446 7.642 8.240 -0.143 0.067 0.531 172 R N 5.576 125.975 120.500 -0.168 0.000 2.582 172 R HA 0.164 nan 4.340 nan 0.000 0.271 172 R C -0.700 175.450 176.300 -0.250 0.000 1.078 172 R CA -0.230 55.771 56.100 -0.165 0.000 1.127 172 R CB 1.096 31.299 30.300 -0.162 0.000 1.038 172 R HN 0.377 8.544 8.270 -0.172 0.000 0.500 173 Q N 2.108 121.781 119.800 -0.213 0.000 2.431 173 Q HA 0.098 nan 4.340 nan 0.000 0.249 173 Q C -0.020 175.836 176.000 -0.240 0.000 1.025 173 Q CA -0.298 55.346 55.803 -0.265 0.000 0.835 173 Q CB 0.558 29.180 28.738 -0.194 0.000 1.207 173 Q HN 0.102 8.284 8.270 -0.147 0.000 0.490 174 V N 2.518 122.251 119.914 -0.303 0.000 2.594 174 V HA -0.285 nan 4.120 nan 0.000 0.253 174 V C -0.934 174.987 176.094 -0.288 0.000 1.069 174 V CA 1.663 63.754 62.300 -0.347 0.000 1.082 174 V CB -0.531 30.976 31.823 -0.527 0.000 0.680 174 V HN 0.497 8.485 8.190 -0.338 0.000 0.469 175 c N -7.656 110.808 118.600 -0.227 0.000 3.037 175 c HA 0.125 nan 4.570 nan 0.000 0.335 175 c C -1.888 172.115 174.090 -0.145 0.000 1.333 175 c CA -2.333 53.895 56.329 -0.169 0.000 1.211 175 c CB 1.354 43.761 42.510 -0.172 0.000 1.377 175 c HN -0.896 7.166 8.230 -0.235 0.027 0.451 176 I N 1.104 121.601 120.570 -0.121 0.000 2.371 176 I HA 0.489 nan 4.170 nan 0.000 0.290 176 I C -0.628 175.394 176.117 -0.157 0.000 1.028 176 I CA -0.154 61.083 61.300 -0.106 0.000 1.345 176 I CB 0.282 38.234 38.000 -0.080 0.000 1.407 176 I HN 0.379 8.520 8.210 -0.115 0.000 0.501 177 A N 7.399 130.137 122.820 -0.137 0.000 2.590 177 A HA 0.497 nan 4.320 nan 0.000 0.296 177 A C -1.764 175.799 177.584 -0.036 0.000 1.050 177 A CA 0.203 52.121 52.037 -0.198 0.000 0.697 177 A CB 2.665 21.560 19.000 -0.174 0.000 1.277 177 A HN 0.821 8.799 8.150 -0.078 0.125 0.411 178 W N -3.743 117.535 121.300 -0.036 0.000 2.773 178 W HA 0.421 nan 4.660 nan 0.000 0.297 178 W C -1.317 175.201 176.519 -0.001 0.000 1.050 178 W CA -1.292 56.043 57.345 -0.017 0.000 1.467 178 W CB 2.038 31.488 29.460 -0.016 0.000 0.977 178 W HN 0.688 8.477 8.180 -0.486 0.099 0.573 179 S N 0.320 116.105 115.700 0.141 0.000 2.536 179 S HA 0.451 nan 4.470 nan 0.000 0.287 179 S C -2.015 172.568 174.600 -0.030 0.000 1.101 179 S CA -0.579 57.699 58.200 0.131 0.000 0.950 179 S CB 1.580 64.875 63.200 0.159 0.000 1.056 179 S HN -0.840 7.353 8.310 -0.196 0.000 0.481 180 S N 3.679 119.385 115.700 0.010 0.000 2.727 180 S HA 0.827 nan 4.470 nan 0.000 0.278 180 S C -2.537 172.009 174.600 -0.090 0.000 1.186 180 S CA -1.132 57.054 58.200 -0.024 0.000 0.836 180 S CB 3.092 66.338 63.200 0.076 0.000 1.186 180 S HN 0.969 9.674 8.310 0.049 -0.366 0.499 181 S N -1.524 114.127 115.700 -0.081 0.000 2.614 181 S HA 0.253 nan 4.470 nan 0.000 0.280 181 S C -2.371 172.189 174.600 -0.066 0.000 1.111 181 S CA 0.656 58.748 58.200 -0.179 0.000 0.847 181 S CB 1.371 64.493 63.200 -0.130 0.000 1.079 181 S HN -0.172 8.130 8.310 -0.013 0.000 0.452 182 S N 3.008 118.674 115.700 -0.057 0.000 2.533 182 S HA 0.794 nan 4.470 nan 0.000 0.271 182 S C -1.558 173.095 174.600 0.088 0.000 1.143 182 S CA -0.386 57.784 58.200 -0.050 0.000 0.891 182 S CB 3.528 66.576 63.200 -0.254 0.000 1.105 182 S HN -0.111 8.144 8.310 -0.091 0.000 0.468 183 c N 0.741 119.392 118.600 0.084 0.000 3.340 183 c HA 0.644 nan 4.570 nan 0.000 0.333 183 c C -2.530 171.489 174.090 -0.118 0.000 1.464 183 c CA -2.834 53.520 56.329 0.042 0.000 1.337 183 c CB 3.561 46.116 42.510 0.074 0.000 1.740 183 c HN 0.510 8.760 8.230 0.033 0.000 0.450 184 H N 0.833 119.738 119.070 -0.275 0.000 3.177 184 H HA 0.136 nan 4.556 nan 0.000 0.314 184 H C 0.090 175.352 175.328 -0.111 0.000 1.059 184 H CA -0.471 55.327 56.048 -0.417 0.000 1.515 184 H CB 1.973 31.211 29.762 -0.874 0.000 1.672 184 H HN 0.194 8.481 8.280 0.012 0.000 0.514 185 D N 4.389 124.815 120.400 0.044 0.000 2.403 185 D HA -0.218 nan 4.640 nan 0.000 0.227 185 D C 0.240 176.744 176.300 0.339 0.000 0.995 185 D CA 1.073 55.212 54.000 0.232 0.000 0.928 185 D CB 0.889 41.890 40.800 0.335 0.000 0.887 185 D HN -0.240 8.092 8.370 -0.064 0.000 0.529 186 G N -0.138 108.871 108.800 0.349 0.000 2.981 186 G HA2 -0.427 nan 3.960 nan 0.000 0.199 186 G HA3 -0.427 nan 3.960 nan 0.000 0.199 186 G C 0.677 175.710 174.900 0.223 0.000 1.586 186 G CA 0.340 45.596 45.100 0.259 0.000 1.162 186 G HN -0.531 7.961 8.290 0.466 0.077 0.538 187 K N 3.332 123.765 120.400 0.056 0.000 1.984 187 K HA -0.137 nan 4.320 nan 0.000 0.209 187 K C 0.236 176.748 176.600 -0.147 0.000 1.046 187 K CA 1.884 58.139 56.287 -0.054 0.000 0.934 187 K CB 0.547 32.986 32.500 -0.102 0.000 0.717 187 K HN -0.240 8.222 8.250 0.135 -0.131 0.438 188 A N -3.317 119.207 122.820 -0.494 0.000 2.533 188 A HA 0.368 nan 4.320 nan 0.000 0.293 188 A C -2.611 174.316 177.584 -1.094 0.000 1.228 188 A CA -1.320 50.246 52.037 -0.785 0.000 0.689 188 A CB 1.583 20.233 19.000 -0.585 0.000 1.303 188 A HN -0.865 7.440 8.150 -0.344 -0.361 0.444 189 W N -2.671 118.212 121.300 -0.695 0.000 1.779 189 W HA 0.500 nan 4.660 nan 0.000 0.409 189 W C -0.097 176.241 176.519 -0.301 0.000 1.812 189 W CA 0.175 57.270 57.345 -0.416 0.000 1.994 189 W CB 1.382 30.741 29.460 -0.169 0.000 1.415 189 W HN 0.041 8.155 8.180 -0.109 0.000 0.745 190 L N -2.784 118.458 121.223 0.032 0.000 2.705 190 L HA 0.329 nan 4.340 nan 0.000 0.260 190 L C -2.474 174.268 176.870 -0.212 0.000 0.921 190 L CA 0.330 55.213 54.840 0.071 0.000 0.948 190 L CB 3.213 45.387 42.059 0.192 0.000 1.427 190 L HN -0.161 8.081 8.230 0.020 0.000 0.432 191 H N 3.861 123.001 119.070 0.117 0.000 3.013 191 H HA 0.498 nan 4.556 nan 0.000 0.326 191 H C -1.632 173.631 175.328 -0.108 0.000 0.973 191 H CA -1.041 55.008 56.048 0.002 0.000 1.369 191 H CB 2.570 32.310 29.762 -0.036 0.000 1.598 191 H HN 0.265 8.675 8.280 0.216 0.000 0.518 192 V N 1.255 121.113 119.914 -0.094 0.000 2.334 192 V HA 0.512 nan 4.120 nan 0.000 0.267 192 V C -1.615 174.308 176.094 -0.285 0.000 1.040 192 V CA -2.053 60.030 62.300 -0.361 0.000 0.866 192 V CB -0.915 30.631 31.823 -0.462 0.000 1.019 192 V HN 0.125 8.282 8.190 -0.055 0.000 0.468 193 c N 8.386 126.800 118.600 -0.311 0.000 2.319 193 c HA 0.673 nan 4.570 nan 0.000 0.335 193 c C -0.921 172.943 174.090 -0.377 0.000 1.274 193 c CA -2.155 54.011 56.329 -0.271 0.000 1.806 193 c CB 0.027 42.414 42.510 -0.205 0.000 2.329 193 c HN 0.161 8.180 8.230 -0.352 0.000 0.524 194 I N 4.621 124.908 120.570 -0.472 0.000 2.389 194 I HA 0.608 nan 4.170 nan 0.000 0.288 194 I C -1.274 174.139 176.117 -1.173 0.000 0.999 194 I CA -0.677 60.181 61.300 -0.737 0.000 1.129 194 I CB 1.468 38.975 38.000 -0.822 0.000 1.288 194 I HN 0.384 8.349 8.210 -0.408 0.000 0.444 195 T N 4.842 118.876 114.554 -0.866 0.000 2.804 195 T HA 0.624 nan 4.350 nan 0.000 0.290 195 T C -1.384 173.178 174.700 -0.230 0.000 1.099 195 T CA -2.059 59.630 62.100 -0.684 0.000 1.011 195 T CB 3.235 71.944 68.868 -0.265 0.000 1.291 195 T HN 0.485 8.378 8.240 -0.579 0.000 0.523 196 G N -0.006 108.869 108.800 0.126 0.000 2.362 196 G HA2 -0.233 nan 3.960 nan 0.000 0.517 196 G HA3 -0.233 nan 3.960 nan 0.000 0.517 196 G C -2.087 172.981 174.900 0.280 0.000 1.256 196 G CA -0.224 44.966 45.100 0.149 0.000 1.027 196 G HN -0.086 8.356 8.290 0.255 0.000 0.491 197 D N 0.903 121.398 120.400 0.158 0.000 2.348 197 D HA 0.164 nan 4.640 nan 0.000 0.249 197 D C -0.072 176.305 176.300 0.128 0.000 1.110 197 D CA -0.581 53.485 54.000 0.110 0.000 0.967 197 D CB 0.747 41.572 40.800 0.040 0.000 1.139 197 D HN -0.295 8.137 8.370 0.104 0.000 0.466 198 D N -0.754 119.658 120.400 0.019 0.000 2.117 198 D HA -0.235 nan 4.640 nan 0.000 0.197 198 D C 1.643 177.944 176.300 0.002 0.000 0.987 198 D CA 3.402 57.387 54.000 -0.024 0.000 0.829 198 D CB 0.047 40.778 40.800 -0.114 0.000 0.961 198 D HN 0.257 8.613 8.370 -0.025 0.000 0.460 199 K N -2.410 117.988 120.400 -0.004 0.000 2.103 199 K HA -0.162 nan 4.320 nan 0.000 0.204 199 K C -0.109 176.491 176.600 -0.001 0.000 1.052 199 K CA 1.653 57.936 56.287 -0.008 0.000 0.945 199 K CB 0.149 32.644 32.500 -0.009 0.000 0.722 199 K HN 0.045 8.285 8.250 -0.007 0.006 0.443 200 N N -3.598 115.113 118.700 0.018 0.000 2.500 200 N HA 0.065 nan 4.740 nan 0.000 0.291 200 N C -2.602 172.930 175.510 0.037 0.000 1.092 200 N CA -0.939 52.120 53.050 0.015 0.000 0.890 200 N CB 1.597 40.092 38.487 0.014 0.000 1.466 200 N HN -0.424 7.887 8.380 0.032 0.088 0.507 201 A N 1.390 124.222 122.820 0.020 0.000 2.435 201 A HA 0.671 nan 4.320 nan 0.000 0.296 201 A C -2.657 174.899 177.584 -0.047 0.000 1.147 201 A CA -1.941 50.104 52.037 0.013 0.000 0.775 201 A CB 3.370 22.412 19.000 0.070 0.000 1.340 201 A HN -0.047 8.095 8.150 -0.013 0.000 0.427 202 T N -1.205 113.292 114.554 -0.095 0.000 2.848 202 T HA 0.599 nan 4.350 nan 0.000 0.285 202 T C -2.234 172.370 174.700 -0.161 0.000 0.995 202 T CA -1.601 60.452 62.100 -0.079 0.000 0.970 202 T CB 2.075 70.919 68.868 -0.040 0.000 0.976 202 T HN 0.308 8.468 8.240 -0.133 0.000 0.441 203 A N 7.856 130.620 122.820 -0.094 0.000 2.256 203 A HA 0.777 nan 4.320 nan 0.000 0.317 203 A C -1.715 175.766 177.584 -0.172 0.000 1.318 203 A CA -2.278 49.633 52.037 -0.209 0.000 0.894 203 A CB 1.438 20.360 19.000 -0.129 0.000 1.165 203 A HN 0.456 8.616 8.150 0.016 0.000 0.525 204 S N 5.197 120.735 115.700 -0.269 0.000 2.499 204 S HA 0.531 nan 4.470 nan 0.000 0.279 204 S C -1.275 173.123 174.600 -0.337 0.000 1.219 204 S CA -0.570 57.549 58.200 -0.136 0.000 1.062 204 S CB 0.913 64.059 63.200 -0.089 0.000 0.978 204 S HN 0.655 8.778 8.310 -0.311 0.000 0.489 205 F N 4.655 124.621 119.950 0.026 0.000 2.332 205 F HA 0.413 nan 4.527 nan 0.000 0.368 205 F C -1.226 174.626 175.800 0.087 0.000 1.110 205 F CA -1.002 57.032 58.000 0.056 0.000 1.087 205 F CB 0.678 39.707 39.000 0.047 0.000 1.235 205 F HN 0.081 8.607 8.300 0.376 0.000 0.470 206 I N 3.757 124.444 120.570 0.196 0.000 2.377 206 I HA 0.580 nan 4.170 nan 0.000 0.293 206 I C -2.256 174.052 176.117 0.318 0.000 0.987 206 I CA -0.863 60.566 61.300 0.215 0.000 1.185 206 I CB 2.197 40.282 38.000 0.141 0.000 1.341 206 I HN -0.009 8.276 8.210 0.124 0.000 0.455 207 Y N 8.436 128.822 120.300 0.144 0.000 2.361 207 Y HA 0.113 nan 4.550 nan 0.000 0.328 207 Y C -1.562 174.402 175.900 0.108 0.000 1.044 207 Y CA -0.738 57.442 58.100 0.133 0.000 1.085 207 Y CB 3.048 41.576 38.460 0.114 0.000 1.194 207 Y HN 0.242 8.711 8.280 0.316 0.000 0.438 208 D N 8.311 128.565 120.400 -0.243 0.000 3.068 208 D HA -0.346 nan 4.640 nan 0.000 0.218 208 D C -0.028 176.270 176.300 -0.004 0.000 1.145 208 D CA 0.730 54.621 54.000 -0.182 0.000 0.896 208 D CB -0.160 40.584 40.800 -0.094 0.000 1.105 208 D HN 0.753 8.884 8.370 -0.399 0.000 0.423 209 G N -3.519 105.302 108.800 0.035 0.000 2.299 209 G HA2 -0.441 nan 3.960 nan 0.000 0.237 209 G HA3 -0.441 nan 3.960 nan 0.000 0.237 209 G C -0.744 174.183 174.900 0.045 0.000 1.027 209 G CA 0.221 45.338 45.100 0.029 0.000 0.619 209 G HN 0.421 8.711 8.290 0.062 0.038 0.513 210 R N 0.311 120.859 120.500 0.080 0.000 2.596 210 R HA 0.279 nan 4.340 nan 0.000 0.267 210 R C -1.891 174.472 176.300 0.105 0.000 1.026 210 R CA -1.912 54.236 56.100 0.079 0.000 1.087 210 R CB 1.873 32.223 30.300 0.083 0.000 1.132 210 R HN -0.566 7.673 8.270 0.099 0.091 0.531 211 L N 1.121 122.394 121.223 0.084 0.000 2.265 211 L HA 0.236 nan 4.340 nan 0.000 0.288 211 L C -0.692 176.240 176.870 0.104 0.000 1.058 211 L CA -0.065 54.832 54.840 0.096 0.000 0.809 211 L CB 0.877 42.974 42.059 0.064 0.000 1.179 211 L HN -0.130 8.138 8.230 0.063 0.000 0.429 212 V N 4.753 124.747 119.914 0.133 0.000 3.379 212 V HA 0.259 nan 4.120 nan 0.000 0.249 212 V C -0.989 175.152 176.094 0.078 0.000 1.184 212 V CA 0.547 62.907 62.300 0.100 0.000 1.106 212 V CB 0.972 32.852 31.823 0.095 0.000 0.826 212 V HN 0.735 9.028 8.190 0.171 0.000 0.465 213 D N -2.764 117.713 120.400 0.128 0.000 2.768 213 D HA 0.284 nan 4.640 nan 0.000 0.327 213 D C -2.547 173.891 176.300 0.230 0.000 1.302 213 D CA -0.362 53.695 54.000 0.095 0.000 0.897 213 D CB 4.007 44.782 40.800 -0.042 0.000 1.420 213 D HN -0.670 7.817 8.370 0.194 0.000 0.494 214 S N -2.335 113.486 115.700 0.201 0.000 2.597 214 S HA 0.649 nan 4.470 nan 0.000 0.274 214 S C -1.926 172.805 174.600 0.219 0.000 1.132 214 S CA -0.141 58.245 58.200 0.311 0.000 0.835 214 S CB 2.886 66.183 63.200 0.163 0.000 1.092 214 S HN 0.068 8.423 8.310 0.075 0.000 0.457 215 I N 0.532 121.277 120.570 0.291 0.000 2.722 215 I HA 0.337 nan 4.170 nan 0.000 0.295 215 I C -1.408 174.819 176.117 0.183 0.000 1.161 215 I CA -0.907 60.536 61.300 0.239 0.000 1.032 215 I CB 3.974 42.187 38.000 0.356 0.000 1.244 215 I HN 0.327 8.731 8.210 0.324 0.000 0.421 216 G N 4.182 113.079 108.800 0.161 0.000 2.477 216 G HA2 0.381 nan 3.960 nan 0.000 0.304 216 G HA3 0.381 nan 3.960 nan 0.000 0.304 216 G C -1.781 173.177 174.900 0.097 0.000 1.175 216 G CA -1.312 43.851 45.100 0.104 0.000 0.907 216 G HN 0.083 8.478 8.290 0.174 0.000 0.509 217 S N 0.074 115.762 115.700 -0.020 0.000 2.560 217 S HA -0.060 nan 4.470 nan 0.000 0.284 217 S C 0.026 174.605 174.600 -0.034 0.000 1.327 217 S CA -0.111 57.981 58.200 -0.180 0.000 1.055 217 S CB 0.959 64.066 63.200 -0.155 0.000 0.868 217 S HN -0.144 8.159 8.310 -0.011 0.000 0.506 218 W N 2.692 124.016 121.300 0.039 0.000 2.966 218 W HA 0.392 nan 4.660 nan 0.000 0.406 218 W C -1.623 174.910 176.519 0.024 0.000 1.027 218 W CA -2.135 55.227 57.345 0.028 0.000 1.930 218 W CB 0.152 29.627 29.460 0.025 0.000 1.144 218 W HN 0.007 7.801 8.180 -0.932 -0.174 0.626 219 S N -1.759 113.935 115.700 -0.011 0.000 2.752 219 S HA -0.012 nan 4.470 nan 0.000 0.242 219 S C -0.325 174.259 174.600 -0.026 0.000 0.914 219 S CA -0.169 58.049 58.200 0.031 0.000 1.427 219 S CB 1.017 64.254 63.200 0.060 0.000 1.244 219 S HN -0.588 7.639 8.310 -0.153 -0.009 0.655 220 Q N -3.197 116.568 119.800 -0.058 0.000 2.439 220 Q HA -0.342 nan 4.340 nan 0.000 0.247 220 Q C -1.096 174.874 176.000 -0.049 0.000 0.899 220 Q CA 1.664 57.441 55.803 -0.044 0.000 1.201 220 Q CB -1.859 26.871 28.738 -0.014 0.000 1.608 220 Q HN -0.233 7.992 8.270 -0.075 0.000 0.563 221 N N -1.228 117.427 118.700 -0.075 0.000 2.609 221 N HA 0.213 nan 4.740 nan 0.000 0.268 221 N C -1.435 174.037 175.510 -0.063 0.000 1.106 221 N CA -0.482 52.533 53.050 -0.059 0.000 0.823 221 N CB 1.155 39.616 38.487 -0.043 0.000 1.263 221 N HN -0.672 7.782 8.380 -0.115 -0.143 0.533 222 I N 0.791 121.337 120.570 -0.039 0.000 5.026 222 I HA -0.532 nan 4.170 nan 0.000 0.126 222 I C -1.091 175.075 176.117 0.081 0.000 1.267 222 I CA 0.613 61.918 61.300 0.008 0.000 2.647 222 I CB -1.626 36.324 38.000 -0.084 0.000 2.149 222 I HN -0.004 8.086 8.210 -0.038 0.096 0.322 223 L N 3.108 124.348 121.223 0.029 0.000 2.771 223 L HA -0.290 nan 4.340 nan 0.000 0.278 223 L C -1.229 175.688 176.870 0.077 0.000 1.175 223 L CA 0.929 55.700 54.840 -0.115 0.000 0.973 223 L CB -0.515 41.369 42.059 -0.291 0.000 1.286 223 L HN -0.187 8.052 8.230 0.015 0.000 0.481 224 R N 4.924 125.459 120.500 0.058 0.000 2.912 224 R HA 0.811 nan 4.340 nan 0.000 0.262 224 R C -1.853 174.491 176.300 0.073 0.000 1.057 224 R CA -2.494 53.684 56.100 0.130 0.000 0.981 224 R CB 2.114 32.526 30.300 0.187 0.000 1.201 224 R HN 0.434 8.702 8.270 -0.004 0.000 0.484 225 T N -2.009 112.586 114.554 0.067 0.000 2.804 225 T HA 0.457 nan 4.350 nan 0.000 0.290 225 T C 0.364 175.080 174.700 0.026 0.000 1.099 225 T CA -1.772 60.352 62.100 0.040 0.000 1.011 225 T CB 1.775 70.644 68.868 0.002 0.000 1.291 225 T HN 0.019 8.313 8.240 0.090 0.000 0.523 226 Q N 0.998 120.793 119.800 -0.008 0.000 2.250 226 Q HA -0.448 nan 4.340 nan 0.000 0.215 226 Q C 1.068 177.046 176.000 -0.037 0.000 1.002 226 Q CA 3.206 58.990 55.803 -0.032 0.000 0.910 226 Q CB 0.318 29.018 28.738 -0.064 0.000 0.939 226 Q HN 0.559 8.824 8.270 -0.008 0.000 0.416 227 E N -6.894 113.257 120.200 -0.083 0.000 3.496 227 E HA -0.411 nan 4.350 nan 0.000 0.300 227 E C -2.300 174.119 176.600 -0.301 0.000 0.877 227 E CA 1.385 57.748 56.400 -0.063 0.000 1.050 227 E CB -0.741 29.065 29.700 0.177 0.000 1.532 227 E HN -0.029 8.235 8.360 -0.090 0.041 0.447 228 S N -5.486 109.896 115.700 -0.530 0.000 2.757 228 S HA 0.165 nan 4.470 nan 0.000 0.285 228 S C -2.114 172.178 174.600 -0.513 0.000 1.196 228 S CA -1.187 56.647 58.200 -0.610 0.000 0.856 228 S CB 2.557 65.773 63.200 0.028 0.000 1.212 228 S HN -0.771 7.238 8.310 -0.378 0.073 0.516 229 E N -1.574 118.551 120.200 -0.125 0.000 2.376 229 E HA 0.072 nan 4.350 nan 0.000 0.266 229 E C 0.065 176.671 176.600 0.011 0.000 1.009 229 E CA -0.421 55.991 56.400 0.021 0.000 0.902 229 E CB -0.051 29.770 29.700 0.201 0.000 0.972 229 E HN 0.135 8.535 8.360 0.066 0.000 0.439 230 c N -0.264 118.339 118.600 0.004 0.000 2.396 230 c HA 0.748 nan 4.570 nan 0.000 0.359 230 c C -0.290 173.820 174.090 0.033 0.000 1.307 230 c CA -2.183 54.145 56.329 -0.001 0.000 2.392 230 c CB 0.588 43.096 42.510 -0.004 0.000 2.245 230 c HN -0.258 7.977 8.230 0.009 0.000 0.615 231 V N -1.698 118.221 119.914 0.009 0.000 2.588 231 V HA 0.484 nan 4.120 nan 0.000 0.304 231 V C -1.783 174.357 176.094 0.077 0.000 1.042 231 V CA -1.216 61.107 62.300 0.038 0.000 0.877 231 V CB 3.092 34.868 31.823 -0.077 0.000 0.996 231 V HN -0.161 8.013 8.190 -0.026 0.000 0.425 232 c N 7.324 126.037 118.600 0.187 0.000 2.281 232 c HA 0.648 nan 4.570 nan 0.000 0.323 232 c C -1.137 173.113 174.090 0.266 0.000 1.270 232 c CA -1.615 54.822 56.329 0.179 0.000 1.559 232 c CB -0.619 41.991 42.510 0.167 0.000 2.239 232 c HN 0.538 8.937 8.230 0.282 0.000 0.488 233 I N 2.667 123.354 120.570 0.194 0.000 2.412 233 I HA 0.084 nan 4.170 nan 0.000 0.296 233 I C -0.900 175.288 176.117 0.118 0.000 0.987 233 I CA -1.322 60.126 61.300 0.246 0.000 1.180 233 I CB 2.150 40.284 38.000 0.224 0.000 1.340 233 I HN -0.232 8.055 8.210 0.129 0.000 0.455 234 N N 7.057 125.822 118.700 0.108 0.000 2.678 234 N HA -0.427 nan 4.740 nan 0.000 0.268 234 N C 0.458 175.820 175.510 -0.248 0.000 1.010 234 N CA 1.297 54.339 53.050 -0.013 0.000 0.784 234 N CB -2.329 36.181 38.487 0.038 0.000 0.905 234 N HN 0.756 9.247 8.380 0.185 0.000 0.552 235 G N -5.002 103.476 108.800 -0.537 0.000 2.257 235 G HA2 -0.521 nan 3.960 nan 0.000 0.267 235 G HA3 -0.521 nan 3.960 nan 0.000 0.267 235 G C -0.610 174.082 174.900 -0.348 0.000 0.984 235 G CA 0.999 45.537 45.100 -0.937 0.000 0.626 235 G HN 0.055 8.137 8.290 -0.346 0.000 0.540 236 T N 3.779 118.254 114.554 -0.133 0.000 2.772 236 T HA 0.293 nan 4.350 nan 0.000 0.288 236 T C -1.186 173.546 174.700 0.053 0.000 0.994 236 T CA -0.492 61.607 62.100 -0.002 0.000 0.951 236 T CB 0.874 69.788 68.868 0.077 0.000 0.933 236 T HN -0.205 7.892 8.240 -0.103 0.080 0.447 237 c N 6.605 125.237 118.600 0.053 0.000 2.459 237 c HA 0.627 nan 4.570 nan 0.000 0.374 237 c C -0.964 173.125 174.090 -0.001 0.000 1.241 237 c CA -0.573 55.787 56.329 0.052 0.000 2.352 237 c CB 1.265 43.822 42.510 0.078 0.000 2.490 237 c HN 0.456 8.709 8.230 0.038 0.000 0.583 238 T N 3.194 117.707 114.554 -0.068 0.000 2.881 238 T HA 0.451 nan 4.350 nan 0.000 0.291 238 T C -2.481 172.120 174.700 -0.165 0.000 0.990 238 T CA -0.500 61.459 62.100 -0.235 0.000 0.976 238 T CB 1.866 70.497 68.868 -0.395 0.000 0.970 238 T HN 0.016 8.237 8.240 -0.032 0.000 0.438 239 V N 8.354 128.184 119.914 -0.139 0.000 2.531 239 V HA 0.696 nan 4.120 nan 0.000 0.301 239 V C -2.537 173.517 176.094 -0.066 0.000 1.034 239 V CA -2.374 59.888 62.300 -0.063 0.000 0.865 239 V CB 4.029 35.866 31.823 0.023 0.000 0.995 239 V HN 0.012 8.100 8.190 -0.170 0.000 0.424 240 V N 4.675 124.554 119.914 -0.058 0.000 2.834 240 V HA 0.807 nan 4.120 nan 0.000 0.301 240 V C -1.992 174.132 176.094 0.049 0.000 1.066 240 V CA -2.438 59.846 62.300 -0.027 0.000 1.052 240 V CB 1.072 32.872 31.823 -0.039 0.000 1.021 240 V HN 0.215 8.369 8.190 -0.060 0.000 0.480 241 M N 3.314 122.985 119.600 0.118 0.000 2.433 241 M HA 0.552 nan 4.480 nan 0.000 0.290 241 M C -2.578 173.916 176.300 0.323 0.000 1.173 241 M CA -0.356 55.082 55.300 0.230 0.000 0.905 241 M CB 4.508 37.337 32.600 0.382 0.000 1.692 241 M HN 0.719 9.067 8.290 0.097 0.000 0.462 242 T N 3.995 118.698 114.554 0.248 0.000 2.893 242 T HA 0.737 nan 4.350 nan 0.000 0.293 242 T C -3.137 171.620 174.700 0.094 0.000 1.027 242 T CA -1.328 60.909 62.100 0.228 0.000 0.988 242 T CB 2.561 71.470 68.868 0.068 0.000 1.043 242 T HN 0.437 8.775 8.240 0.164 0.000 0.461 243 D N 5.740 126.188 120.400 0.081 0.000 2.890 243 D HA 0.822 nan 4.640 nan 0.000 0.233 243 D C -1.429 174.855 176.300 -0.026 0.000 1.306 243 D CA -1.162 52.726 54.000 -0.188 0.000 0.929 243 D CB 3.209 43.466 40.800 -0.905 0.000 1.512 243 D HN 0.331 8.764 8.370 0.282 0.106 0.568 244 G N 4.340 113.121 108.800 -0.032 0.000 2.356 244 G HA2 -0.034 nan 3.960 nan 0.000 0.266 244 G HA3 -0.034 nan 3.960 nan 0.000 0.266 244 G C -2.088 172.817 174.900 0.008 0.000 1.312 244 G CA 0.497 45.601 45.100 0.007 0.000 0.922 244 G HN 0.015 8.274 8.290 -0.051 0.000 0.480 245 S N 0.331 116.038 115.700 0.011 0.000 2.554 245 S HA 0.359 nan 4.470 nan 0.000 0.278 245 S C 0.698 175.369 174.600 0.119 0.000 1.242 245 S CA -1.118 57.086 58.200 0.008 0.000 1.051 245 S CB 1.746 64.903 63.200 -0.072 0.000 0.986 245 S HN -0.331 7.977 8.310 -0.003 0.000 0.502 246 A N 3.674 126.559 122.820 0.110 0.000 1.858 246 A HA -0.132 nan 4.320 nan 0.000 0.216 246 A C 0.560 178.156 177.584 0.019 0.000 1.190 246 A CA 2.492 54.660 52.037 0.218 0.000 0.617 246 A CB -0.078 19.007 19.000 0.141 0.000 0.827 246 A HN 0.388 8.569 8.150 0.052 0.000 0.443 247 S N 0.050 115.700 115.700 -0.083 0.000 2.468 247 S HA 0.125 nan 4.470 nan 0.000 0.190 247 S C -1.402 172.948 174.600 -0.417 0.000 1.445 247 S CA 0.047 58.164 58.200 -0.137 0.000 1.084 247 S CB -1.523 61.703 63.200 0.043 0.000 1.175 247 S HN -0.273 8.010 8.310 -0.046 0.000 0.484 248 G N 1.206 109.422 108.800 -0.974 0.000 2.325 248 G HA2 -0.080 nan 3.960 nan 0.000 0.297 248 G HA3 -0.080 nan 3.960 nan 0.000 0.297 248 G C -3.104 171.117 174.900 -1.133 0.000 1.448 248 G CA -0.125 44.161 45.100 -1.357 0.000 0.838 248 G HN -0.919 6.840 8.290 -0.885 0.000 0.579 249 R N -3.310 116.552 120.500 -1.064 0.000 2.774 249 R HA 0.141 nan 4.340 nan 0.000 0.269 249 R C -1.017 175.248 176.300 -0.058 0.000 1.068 249 R CA 0.106 55.996 56.100 -0.350 0.000 1.180 249 R CB 0.157 30.337 30.300 -0.201 0.000 1.077 249 R HN 0.216 7.749 8.270 -1.230 0.000 0.513 250 A N -0.545 122.322 122.820 0.078 0.000 2.552 250 A HA 0.324 nan 4.320 nan 0.000 0.288 250 A C -1.991 175.649 177.584 0.093 0.000 1.193 250 A CA -1.360 50.716 52.037 0.064 0.000 0.713 250 A CB 2.843 21.864 19.000 0.035 0.000 1.305 250 A HN 0.025 8.255 8.150 0.134 0.000 0.424 251 D N -0.390 120.105 120.400 0.158 0.000 2.427 251 D HA 0.241 nan 4.640 nan 0.000 0.226 251 D C -1.086 175.415 176.300 0.336 0.000 1.076 251 D CA -0.960 53.188 54.000 0.246 0.000 0.849 251 D CB 1.100 42.132 40.800 0.387 0.000 1.052 251 D HN -0.080 8.285 8.370 0.160 0.102 0.515 252 T N 5.722 120.380 114.554 0.174 0.000 2.856 252 T HA 0.778 nan 4.350 nan 0.000 0.283 252 T C -1.736 172.989 174.700 0.042 0.000 1.008 252 T CA -0.844 61.348 62.100 0.154 0.000 0.997 252 T CB 1.852 70.761 68.868 0.069 0.000 0.992 252 T HN 0.221 8.527 8.240 0.109 0.000 0.454 253 R N 0.769 121.275 120.500 0.010 0.000 2.817 253 R HA 1.000 nan 4.340 nan 0.000 0.268 253 R C -2.085 174.197 176.300 -0.030 0.000 1.027 253 R CA -1.865 54.183 56.100 -0.088 0.000 0.928 253 R CB 3.562 33.681 30.300 -0.302 0.000 1.228 253 R HN 1.083 9.424 8.270 0.119 0.000 0.469 254 I N 0.156 120.715 120.570 -0.019 0.000 2.420 254 I HA 0.508 nan 4.170 nan 0.000 0.282 254 I C -1.068 175.001 176.117 -0.079 0.000 1.019 254 I CA -0.916 60.341 61.300 -0.072 0.000 1.130 254 I CB 0.519 38.467 38.000 -0.086 0.000 1.262 254 I HN 0.811 8.914 8.210 0.010 0.113 0.454 255 L N 4.353 125.513 121.223 -0.104 0.000 2.334 255 L HA 0.463 nan 4.340 nan 0.000 0.277 255 L C -0.985 175.773 176.870 -0.186 0.000 1.075 255 L CA -0.974 53.852 54.840 -0.024 0.000 0.804 255 L CB 0.544 42.606 42.059 0.006 0.000 1.174 255 L HN 0.113 8.288 8.230 -0.091 0.000 0.438 256 F N 1.529 121.487 119.950 0.013 0.000 2.293 256 F HA 0.357 nan 4.527 nan 0.000 0.370 256 F C -1.114 174.683 175.800 -0.006 0.000 1.090 256 F CA -1.234 56.798 58.000 0.052 0.000 1.133 256 F CB 0.225 39.321 39.000 0.158 0.000 1.360 256 F HN 0.011 8.451 8.300 0.410 0.106 0.489 257 I N 4.912 125.520 120.570 0.064 0.000 2.412 257 I HA 0.438 nan 4.170 nan 0.000 0.279 257 I C -1.880 174.234 176.117 -0.005 0.000 1.063 257 I CA -1.320 59.973 61.300 -0.011 0.000 1.193 257 I CB 1.132 39.083 38.000 -0.081 0.000 1.370 257 I HN 0.131 8.361 8.210 0.033 0.000 0.479 258 E N 8.111 128.294 120.200 -0.028 0.000 2.115 258 E HA 0.158 nan 4.350 nan 0.000 0.282 258 E C -0.572 175.908 176.600 -0.201 0.000 0.987 258 E CA -1.040 55.307 56.400 -0.087 0.000 0.797 258 E CB 0.419 30.088 29.700 -0.051 0.000 1.086 258 E HN -0.064 8.288 8.360 -0.014 0.000 0.397 259 E N 2.645 122.593 120.200 -0.420 0.000 3.169 259 E HA -0.321 nan 4.350 nan 0.000 0.305 259 E C -0.590 175.610 176.600 -0.667 0.000 0.912 259 E CA 0.480 56.370 56.400 -0.850 0.000 1.029 259 E CB -1.720 27.738 29.700 -0.404 0.000 1.514 259 E HN 0.947 9.084 8.360 -0.372 0.000 0.412 260 G N -4.971 103.616 108.800 -0.356 0.000 2.253 260 G HA2 -0.427 nan 3.960 nan 0.000 0.251 260 G HA3 -0.427 nan 3.960 nan 0.000 0.251 260 G C -0.910 173.970 174.900 -0.034 0.000 0.998 260 G CA 0.317 45.411 45.100 -0.011 0.000 0.621 260 G HN -0.022 8.051 8.290 -0.308 0.032 0.524 261 K N 1.036 121.365 120.400 -0.118 0.000 2.227 261 K HA 0.093 nan 4.320 nan 0.000 0.280 261 K C -1.360 175.143 176.600 -0.162 0.000 1.041 261 K CA -1.670 54.541 56.287 -0.127 0.000 0.905 261 K CB 0.579 33.019 32.500 -0.100 0.000 1.068 261 K HN -0.813 7.245 8.250 -0.165 0.093 0.470 262 I N 5.617 126.046 120.570 -0.235 0.000 2.505 262 I HA -0.159 nan 4.170 nan 0.000 0.287 262 I C 0.471 176.506 176.117 -0.136 0.000 1.104 262 I CA 1.374 62.538 61.300 -0.227 0.000 1.387 262 I CB -0.185 37.621 38.000 -0.322 0.000 1.404 262 I HN -0.381 7.851 8.210 -0.267 -0.182 0.528 263 V N 3.154 123.024 119.914 -0.073 0.000 3.214 263 V HA 0.398 nan 4.120 nan 0.000 0.330 263 V C -1.327 174.692 176.094 -0.126 0.000 1.403 263 V CA -1.121 61.130 62.300 -0.081 0.000 1.143 263 V CB 0.561 32.366 31.823 -0.030 0.000 1.098 263 V HN 0.652 8.828 8.190 -0.024 0.000 0.463 264 H N -1.784 117.161 119.070 -0.208 0.000 2.915 264 H HA 0.175 nan 4.556 nan 0.000 0.263 264 H C -2.530 172.736 175.328 -0.103 0.000 1.373 264 H CA 0.420 56.270 56.048 -0.329 0.000 1.354 264 H CB 3.166 32.390 29.762 -0.897 0.000 1.866 264 H HN -0.583 7.616 8.280 -0.031 0.062 0.479 265 I N 2.179 122.911 120.570 0.269 0.000 2.827 265 I HA 0.276 nan 4.170 nan 0.000 0.298 265 I C -1.780 174.504 176.117 0.278 0.000 1.235 265 I CA -0.314 61.101 61.300 0.191 0.000 1.021 265 I CB 4.239 42.200 38.000 -0.065 0.000 1.259 265 I HN 0.203 8.520 8.210 0.177 0.000 0.427 266 S N 4.151 119.964 115.700 0.188 0.000 2.536 266 S HA 0.525 nan 4.470 nan 0.000 0.271 266 S C -2.719 171.908 174.600 0.046 0.000 1.134 266 S CA -2.574 55.704 58.200 0.129 0.000 0.897 266 S CB 2.281 65.585 63.200 0.174 0.000 1.094 266 S HN -0.023 8.392 8.310 0.174 0.000 0.473 267 P HA 0.584 nan 4.420 nan 0.000 0.281 267 P C -1.635 175.673 177.300 0.013 0.000 1.281 267 P CA -0.869 62.217 63.100 -0.024 0.000 0.811 267 P CB 0.799 32.476 31.700 -0.039 0.000 1.154 268 L N -0.848 120.383 121.223 0.014 0.000 2.456 268 L HA -0.005 nan 4.340 nan 0.000 0.272 268 L C -0.851 176.039 176.870 0.033 0.000 1.189 268 L CA 0.691 55.548 54.840 0.028 0.000 0.846 268 L CB 0.737 42.817 42.059 0.034 0.000 1.111 268 L HN -0.341 7.892 8.230 0.005 0.000 0.475 269 A N 4.834 127.675 122.820 0.035 0.000 2.515 269 A HA 0.376 nan 4.320 nan 0.000 0.296 269 A C -1.911 175.696 177.584 0.039 0.000 1.094 269 A CA -0.738 51.320 52.037 0.035 0.000 0.718 269 A CB 2.210 21.228 19.000 0.029 0.000 1.307 269 A HN 0.303 8.473 8.150 0.034 0.000 0.408 270 G N -0.453 108.372 108.800 0.041 0.000 2.526 270 G HA2 -0.186 nan 3.960 nan 0.000 0.250 270 G HA3 -0.186 nan 3.960 nan 0.000 0.250 270 G C -0.759 174.182 174.900 0.068 0.000 1.289 270 G CA -0.347 44.781 45.100 0.046 0.000 0.947 270 G HN -0.031 8.282 8.290 0.038 0.000 0.517 271 S N 0.884 116.636 115.700 0.087 0.000 2.650 271 S HA -0.144 nan 4.470 nan 0.000 0.219 271 S C 0.080 174.820 174.600 0.233 0.000 0.960 271 S CA 0.226 58.500 58.200 0.123 0.000 0.925 271 S CB 0.306 63.564 63.200 0.096 0.000 0.775 271 S HN 0.321 8.677 8.310 0.077 0.000 0.525 272 A N 0.221 123.180 122.820 0.233 0.000 2.363 272 A HA 0.027 nan 4.320 nan 0.000 0.270 272 A C -0.087 177.664 177.584 0.278 0.000 1.121 272 A CA -0.039 52.187 52.037 0.315 0.000 0.800 272 A CB 0.574 19.601 19.000 0.044 0.000 1.052 272 A HN -0.654 7.523 8.150 0.144 0.059 0.493 273 Q N 1.115 121.140 119.800 0.376 0.000 2.339 273 Q HA -0.032 nan 4.340 nan 0.000 0.205 273 Q C 0.156 176.439 176.000 0.471 0.000 0.925 273 Q CA 0.857 56.880 55.803 0.368 0.000 0.898 273 Q CB 1.796 30.718 28.738 0.308 0.000 1.013 273 Q HN 0.041 8.643 8.270 0.554 0.000 0.504 274 H N -3.678 115.549 119.070 0.262 0.000 3.278 274 H HA 0.142 nan 4.556 nan 0.000 0.326 274 H C -1.948 173.458 175.328 0.130 0.000 1.113 274 H CA 0.019 56.203 56.048 0.228 0.000 1.553 274 H CB 1.788 31.749 29.762 0.331 0.000 1.997 274 H HN -0.492 8.008 8.280 0.365 0.000 0.456 275 V N 8.248 128.118 119.914 -0.073 0.000 2.350 275 V HA 0.133 nan 4.120 nan 0.000 0.276 275 V C -1.541 174.478 176.094 -0.125 0.000 1.028 275 V CA -0.213 62.045 62.300 -0.071 0.000 0.860 275 V CB 0.785 32.582 31.823 -0.043 0.000 0.990 275 V HN 0.542 8.662 8.190 -0.116 0.000 0.453 276 E N 5.392 125.559 120.200 -0.055 0.000 2.410 276 E HA 0.224 nan 4.350 nan 0.000 0.269 276 E C -1.139 175.464 176.600 0.005 0.000 0.937 276 E CA -1.929 54.458 56.400 -0.022 0.000 0.793 276 E CB 4.132 33.849 29.700 0.029 0.000 1.314 276 E HN -0.517 7.837 8.360 -0.010 0.000 0.447 277 E N -2.088 118.127 120.200 0.024 0.000 2.038 277 E HA -0.388 nan 4.350 nan 0.000 0.181 277 E C -1.338 175.266 176.600 0.006 0.000 1.383 277 E CA 0.739 57.151 56.400 0.020 0.000 0.677 277 E CB -1.401 28.297 29.700 -0.002 0.000 1.051 277 E HN 0.471 8.856 8.360 0.042 0.000 0.317 278 c N -1.258 117.343 118.600 0.002 0.000 2.648 278 c HA -0.089 nan 4.570 nan 0.000 0.419 278 c C 0.556 174.657 174.090 0.019 0.000 1.352 278 c CA -0.718 55.610 56.329 -0.002 0.000 1.816 278 c CB -0.298 42.197 42.510 -0.026 0.000 2.598 278 c HN -0.079 8.152 8.230 0.002 0.000 0.598 279 S N 6.489 122.222 115.700 0.054 0.000 2.410 279 S HA 0.219 nan 4.470 nan 0.000 0.304 279 S C -1.770 172.874 174.600 0.073 0.000 1.095 279 S CA 0.234 58.504 58.200 0.117 0.000 1.089 279 S CB 0.629 63.958 63.200 0.215 0.000 0.968 279 S HN 0.167 8.508 8.310 0.051 0.000 0.480 280 c N 6.129 124.747 118.600 0.031 0.000 2.379 280 c HA 0.770 nan 4.570 nan 0.000 0.323 280 c C -1.339 172.725 174.090 -0.044 0.000 1.262 280 c CA -1.267 55.013 56.329 -0.083 0.000 1.581 280 c CB 1.213 43.658 42.510 -0.108 0.000 2.221 280 c HN 0.491 8.748 8.230 0.045 0.000 0.497 281 Y N 1.626 121.875 120.300 -0.085 0.000 2.562 281 Y HA 0.602 nan 4.550 nan 0.000 0.343 281 Y C -3.056 172.693 175.900 -0.252 0.000 1.025 281 Y CA -4.356 53.632 58.100 -0.188 0.000 1.082 281 Y CB 0.190 38.537 38.460 -0.188 0.000 1.264 281 Y HN 0.677 8.554 8.280 -0.671 0.000 0.478 282 P HA 0.212 nan 4.420 nan 0.000 0.285 282 P C -1.937 175.312 177.300 -0.085 0.000 1.259 282 P CA -0.361 62.551 63.100 -0.313 0.000 0.794 282 P CB 0.893 32.074 31.700 -0.865 0.000 0.940 283 R N 2.781 123.281 120.500 -0.000 0.000 2.625 283 R HA 0.282 nan 4.340 nan 0.000 0.286 283 R C -0.758 175.601 176.300 0.099 0.000 1.406 283 R CA -0.760 55.394 56.100 0.090 0.000 1.052 283 R CB 2.306 32.672 30.300 0.109 0.000 1.203 283 R HN -0.240 8.004 8.270 -0.043 0.000 0.502 284 Y N 7.723 128.042 120.300 0.032 0.000 2.895 284 Y HA -0.196 nan 4.550 nan 0.000 0.334 284 Y C -1.475 174.447 175.900 0.037 0.000 1.261 284 Y CA -0.330 57.799 58.100 0.048 0.000 1.560 284 Y CB 0.185 38.691 38.460 0.076 0.000 1.253 284 Y HN 0.486 8.942 8.280 0.294 0.000 0.582 285 P HA 0.305 nan 4.420 nan 0.000 0.228 285 P C -2.226 174.831 177.300 -0.406 0.000 1.873 285 P CA -0.399 62.103 63.100 -0.995 0.000 1.033 285 P CB 0.426 31.451 31.700 -1.125 0.000 1.707 286 G N -0.587 108.095 108.800 -0.196 0.000 2.947 286 G HA2 0.583 nan 3.960 nan 0.000 0.293 286 G HA3 0.583 nan 3.960 nan 0.000 0.293 286 G C -2.890 171.958 174.900 -0.086 0.000 1.243 286 G CA -0.254 44.777 45.100 -0.115 0.000 0.802 286 G HN -0.108 7.901 8.290 -0.138 0.198 0.560 287 V N -1.356 118.500 119.914 -0.095 0.000 2.925 287 V HA 0.766 nan 4.120 nan 0.000 0.311 287 V C -2.223 173.752 176.094 -0.199 0.000 1.104 287 V CA -1.076 61.133 62.300 -0.151 0.000 0.954 287 V CB 4.170 35.911 31.823 -0.136 0.000 1.022 287 V HN -0.007 8.136 8.190 -0.078 0.000 0.427 288 R N 2.415 122.689 120.500 -0.377 0.000 2.750 288 R HA 0.881 nan 4.340 nan 0.000 0.281 288 R C -2.314 173.692 176.300 -0.490 0.000 0.972 288 R CA -1.760 54.080 56.100 -0.434 0.000 0.912 288 R CB 4.305 34.278 30.300 -0.546 0.000 1.187 288 R HN 0.556 8.533 8.270 -0.488 0.000 0.464 289 c N 4.269 122.715 118.600 -0.258 0.000 2.397 289 c HA 0.704 nan 4.570 nan 0.000 0.325 289 c C -1.188 172.866 174.090 -0.060 0.000 1.201 289 c CA -0.862 55.371 56.329 -0.160 0.000 1.377 289 c CB 2.077 44.524 42.510 -0.107 0.000 2.038 289 c HN 0.511 8.641 8.230 -0.166 0.000 0.457 290 I N 4.711 125.286 120.570 0.009 0.000 2.307 290 I HA 0.504 nan 4.170 nan 0.000 0.289 290 I C -0.930 175.195 176.117 0.013 0.000 1.021 290 I CA -0.625 60.700 61.300 0.043 0.000 1.224 290 I CB 0.540 38.612 38.000 0.121 0.000 1.376 290 I HN 0.369 8.599 8.210 0.033 0.000 0.470 291 c N 8.482 127.062 118.600 -0.034 0.000 2.123 291 c HA 0.762 nan 4.570 nan 0.000 0.304 291 c C -1.607 172.465 174.090 -0.030 0.000 2.981 291 c CA -2.324 53.986 56.329 -0.032 0.000 1.895 291 c CB 2.510 44.993 42.510 -0.045 0.000 2.561 291 c HN 1.006 9.197 8.230 -0.064 0.000 0.336 292 R N 1.023 121.517 120.500 -0.010 0.000 2.545 292 R HA 0.167 nan 4.340 nan 0.000 0.289 292 R C -2.294 174.075 176.300 0.114 0.000 1.327 292 R CA -0.576 55.542 56.100 0.029 0.000 1.040 292 R CB 1.886 32.196 30.300 0.017 0.000 1.176 292 R HN 0.138 8.403 8.270 -0.008 0.000 0.518 293 D N 7.015 127.493 120.400 0.130 0.000 2.342 293 D HA -0.082 nan 4.640 nan 0.000 0.260 293 D C -0.681 175.768 176.300 0.248 0.000 1.278 293 D CA 0.059 54.211 54.000 0.253 0.000 0.910 293 D CB 0.114 41.062 40.800 0.247 0.000 1.079 293 D HN 0.343 8.759 8.370 0.076 0.000 0.496 294 N N 6.405 125.336 118.700 0.384 0.000 2.336 294 N HA 0.067 nan 4.740 nan 0.000 0.189 294 N C -0.630 174.922 175.510 0.070 0.000 1.113 294 N CA 0.908 54.089 53.050 0.217 0.000 0.858 294 N CB 1.161 39.828 38.487 0.299 0.000 0.970 294 N HN -0.091 8.744 8.380 0.757 0.000 0.471 295 W N 0.111 121.251 121.300 -0.266 0.000 3.517 295 W HA 0.244 nan 4.660 nan 0.000 0.234 295 W C 0.370 176.830 176.519 -0.099 0.000 0.972 295 W CA 2.092 59.273 57.345 -0.273 0.000 2.002 295 W CB 2.173 31.335 29.460 -0.497 0.000 1.018 295 W HN 0.175 8.618 8.180 0.113 -0.196 0.712 296 K N -2.837 117.405 120.400 -0.264 0.000 2.355 296 K HA 0.190 nan 4.320 nan 0.000 0.198 296 K C -1.066 175.423 176.600 -0.184 0.000 1.039 296 K CA -0.405 55.619 56.287 -0.437 0.000 1.075 296 K CB 2.218 34.319 32.500 -0.664 0.000 0.870 296 K HN -0.175 8.317 8.250 -0.019 -0.254 0.540 297 G N -3.931 104.851 108.800 -0.031 0.000 2.696 297 G HA2 0.336 nan 3.960 nan 0.000 0.295 297 G HA3 0.336 nan 3.960 nan 0.000 0.295 297 G C -1.081 173.851 174.900 0.053 0.000 1.398 297 G CA -0.504 44.602 45.100 0.010 0.000 0.920 297 G HN -0.826 7.722 8.290 0.032 -0.239 0.492 298 S N -0.063 115.652 115.700 0.026 0.000 2.501 298 S HA 0.035 nan 4.470 nan 0.000 0.220 298 S C 0.221 174.850 174.600 0.048 0.000 0.997 298 S CA 0.958 59.174 58.200 0.026 0.000 0.919 298 S CB 1.126 64.327 63.200 0.002 0.000 0.778 298 S HN 0.265 8.911 8.310 -0.004 -0.338 0.523 299 N N 1.067 119.820 118.700 0.089 0.000 2.467 299 N HA -0.055 nan 4.740 nan 0.000 0.262 299 N C -1.530 174.095 175.510 0.192 0.000 1.234 299 N CA -0.526 52.611 53.050 0.144 0.000 0.952 299 N CB 1.037 39.639 38.487 0.191 0.000 1.158 299 N HN -0.913 7.655 8.380 0.071 -0.146 0.463 300 R N -1.804 118.758 120.500 0.103 0.000 2.294 300 R HA 0.411 nan 4.340 nan 0.000 0.319 300 R C -1.909 174.248 176.300 -0.238 0.000 0.984 300 R CA -3.188 52.894 56.100 -0.031 0.000 0.861 300 R CB 1.397 31.673 30.300 -0.041 0.000 1.104 300 R HN 0.406 8.729 8.270 0.089 0.000 0.451 301 P HA 0.065 nan 4.420 nan 0.000 0.271 301 P C -1.829 175.270 177.300 -0.335 0.000 1.218 301 P CA -0.187 62.437 63.100 -0.793 0.000 0.780 301 P CB 0.391 31.740 31.700 -0.585 0.000 0.901 302 V N 1.417 121.173 119.914 -0.263 0.000 2.769 302 V HA 0.677 nan 4.120 nan 0.000 0.312 302 V C -0.724 175.329 176.094 -0.069 0.000 1.058 302 V CA -1.394 60.862 62.300 -0.073 0.000 0.952 302 V CB 3.060 34.896 31.823 0.021 0.000 1.019 302 V HN -0.385 7.589 8.190 -0.359 0.000 0.445 303 V N 4.382 124.273 119.914 -0.040 0.000 2.623 303 V HA 0.394 nan 4.120 nan 0.000 0.304 303 V C -1.961 174.113 176.094 -0.033 0.000 1.054 303 V CA -0.980 61.297 62.300 -0.038 0.000 0.882 303 V CB 3.041 34.833 31.823 -0.051 0.000 1.002 303 V HN 0.319 8.489 8.190 -0.035 0.000 0.424 304 D N 6.284 126.679 120.400 -0.009 0.000 2.408 304 D HA 0.604 nan 4.640 nan 0.000 0.243 304 D C -1.425 174.875 176.300 -0.001 0.000 1.075 304 D CA -0.512 53.482 54.000 -0.009 0.000 0.832 304 D CB 3.100 43.914 40.800 0.024 0.000 1.162 304 D HN 0.372 8.644 8.370 0.001 0.098 0.515 305 I N 3.598 124.159 120.570 -0.015 0.000 2.412 305 I HA 0.214 nan 4.170 nan 0.000 0.296 305 I C -1.722 174.414 176.117 0.032 0.000 0.987 305 I CA -1.314 60.009 61.300 0.037 0.000 1.180 305 I CB 2.396 40.397 38.000 0.001 0.000 1.340 305 I HN 0.491 8.671 8.210 -0.050 0.000 0.455 306 N N 6.050 124.782 118.700 0.053 0.000 2.476 306 N HA 0.384 nan 4.740 nan 0.000 0.257 306 N C 0.265 175.731 175.510 -0.073 0.000 0.970 306 N CA -2.097 50.927 53.050 -0.042 0.000 0.938 306 N CB 1.174 39.607 38.487 -0.091 0.000 1.144 306 N HN -0.246 8.195 8.380 0.102 0.000 0.500 307 M N 4.287 123.845 119.600 -0.070 0.000 2.374 307 M HA -0.114 nan 4.480 nan 0.000 0.264 307 M C 1.009 177.098 176.300 -0.351 0.000 1.067 307 M CA 2.056 57.304 55.300 -0.087 0.000 1.103 307 M CB -0.685 31.903 32.600 -0.019 0.000 1.402 307 M HN 0.553 8.792 8.290 -0.085 0.000 0.444 308 E N -2.820 117.181 120.200 -0.331 0.000 2.479 308 E HA -0.013 nan 4.350 nan 0.000 0.193 308 E C 0.292 176.621 176.600 -0.452 0.000 1.049 308 E CA 0.448 56.635 56.400 -0.355 0.000 0.870 308 E CB 0.322 29.891 29.700 -0.219 0.000 0.944 308 E HN -0.074 8.430 8.360 -0.249 -0.294 0.492 309 D N -2.567 117.490 120.400 -0.572 0.000 2.266 309 D HA 0.069 nan 4.640 nan 0.000 0.304 309 D C -0.674 175.334 176.300 -0.487 0.000 1.080 309 D CA 0.346 54.075 54.000 -0.451 0.000 0.850 309 D CB 1.921 42.583 40.800 -0.229 0.000 1.515 309 D HN -0.629 7.209 8.370 -0.592 0.178 0.531 310 Y N -3.728 116.281 120.300 -0.485 0.000 4.569 310 Y HA -0.506 nan 4.550 nan 0.000 0.237 310 Y C -1.244 174.462 175.900 -0.324 0.000 1.090 310 Y CA 0.958 58.583 58.100 -0.791 0.000 2.052 310 Y CB -2.756 34.913 38.460 -1.319 0.000 1.621 310 Y HN 0.245 8.039 8.280 -0.810 0.000 0.682 311 S N -0.198 115.457 115.700 -0.075 0.000 2.525 311 S HA 0.194 nan 4.470 nan 0.000 0.278 311 S C -0.971 173.652 174.600 0.038 0.000 1.234 311 S CA 0.153 58.345 58.200 -0.013 0.000 1.058 311 S CB 1.056 64.234 63.200 -0.037 0.000 0.983 311 S HN -0.337 7.863 8.310 -0.133 0.030 0.495 312 I N 2.533 123.131 120.570 0.046 0.000 2.648 312 I HA 0.417 nan 4.170 nan 0.000 0.304 312 I C -1.145 174.990 176.117 0.030 0.000 1.009 312 I CA -1.693 59.637 61.300 0.050 0.000 1.114 312 I CB 2.569 40.606 38.000 0.061 0.000 1.293 312 I HN 0.114 8.345 8.210 0.035 0.000 0.449 313 D N 4.347 124.762 120.400 0.026 0.000 2.977 313 D HA 0.190 nan 4.640 nan 0.000 0.220 313 D C -1.532 174.781 176.300 0.020 0.000 1.267 313 D CA -0.953 53.061 54.000 0.024 0.000 0.884 313 D CB 2.941 43.755 40.800 0.023 0.000 1.667 313 D HN -0.026 8.359 8.370 0.024 0.000 0.536 314 S N 3.107 118.822 115.700 0.026 0.000 2.681 314 S HA 0.755 nan 4.470 nan 0.000 0.299 314 S C -0.557 174.064 174.600 0.035 0.000 1.113 314 S CA -0.918 57.295 58.200 0.022 0.000 1.013 314 S CB 2.550 65.777 63.200 0.046 0.000 1.076 314 S HN -0.300 8.029 8.310 0.033 0.000 0.534 315 S N 0.683 116.402 115.700 0.031 0.000 2.761 315 S HA 0.453 nan 4.470 nan 0.000 0.290 315 S C -2.075 172.600 174.600 0.125 0.000 1.222 315 S CA 0.329 58.571 58.200 0.069 0.000 0.954 315 S CB 2.580 65.755 63.200 -0.041 0.000 1.281 315 S HN -0.042 8.248 8.310 -0.033 0.000 0.527 316 Y N -1.519 118.724 120.300 -0.096 0.000 2.625 316 Y HA 0.256 nan 4.550 nan 0.000 0.338 316 Y C -1.068 174.755 175.900 -0.129 0.000 1.123 316 Y CA 0.046 58.100 58.100 -0.076 0.000 1.046 316 Y CB 4.235 42.658 38.460 -0.062 0.000 1.299 316 Y HN -0.279 8.056 8.280 0.092 0.000 0.464 317 V N -2.671 117.292 119.914 0.081 0.000 2.408 317 V HA 0.307 nan 4.120 nan 0.000 0.267 317 V C 0.426 176.513 176.094 -0.012 0.000 1.047 317 V CA -0.950 61.353 62.300 0.004 0.000 0.937 317 V CB -1.145 30.716 31.823 0.063 0.000 0.999 317 V HN 0.195 8.468 8.190 0.137 0.000 0.472 318 c N 5.612 124.157 118.600 -0.091 0.000 2.396 318 c HA -0.367 nan 4.570 nan 0.000 0.277 318 c C 1.109 175.177 174.090 -0.038 0.000 1.231 318 c CA 2.009 58.290 56.329 -0.081 0.000 1.775 318 c CB -1.318 41.118 42.510 -0.123 0.000 2.036 318 c HN 0.983 9.100 8.230 -0.189 0.000 0.484 319 S N 0.354 116.047 115.700 -0.011 0.000 3.480 319 S HA -0.466 nan 4.470 nan 0.000 0.411 319 S C 0.891 175.487 174.600 -0.007 0.000 1.164 319 S CA 0.895 59.096 58.200 0.002 0.000 1.084 319 S CB 0.023 63.234 63.200 0.018 0.000 0.759 319 S HN -0.640 7.653 8.310 -0.000 0.017 0.515 320 G N 5.300 114.089 108.800 -0.017 0.000 2.443 320 G HA2 -0.146 nan 3.960 nan 0.000 0.219 320 G HA3 -0.146 nan 3.960 nan 0.000 0.219 320 G C 0.623 175.514 174.900 -0.016 0.000 1.131 320 G CA 1.028 46.113 45.100 -0.025 0.000 0.775 320 G HN 0.513 8.732 8.290 -0.021 0.058 0.547 321 L N -0.481 120.741 121.223 -0.001 0.000 2.201 321 L HA -0.169 nan 4.340 nan 0.000 0.212 321 L C 0.595 177.491 176.870 0.042 0.000 1.105 321 L CA 1.102 55.957 54.840 0.025 0.000 0.775 321 L CB -0.049 42.053 42.059 0.072 0.000 0.913 321 L HN -0.797 7.417 8.230 0.001 0.017 0.440 322 V N -1.197 118.731 119.914 0.024 0.000 3.202 322 V HA -0.346 nan 4.120 nan 0.000 0.258 322 V C -0.734 175.352 176.094 -0.014 0.000 1.750 322 V CA 1.258 63.557 62.300 -0.000 0.000 1.639 322 V CB 0.210 32.035 31.823 0.004 0.000 0.838 322 V HN -0.522 7.486 8.190 0.020 0.194 0.434 323 G N 7.326 116.093 108.800 -0.056 0.000 2.737 323 G HA2 0.317 nan 3.960 nan 0.000 0.290 323 G HA3 0.317 nan 3.960 nan 0.000 0.290 323 G C -2.621 172.230 174.900 -0.083 0.000 1.482 323 G CA -0.736 44.322 45.100 -0.070 0.000 1.017 323 G HN 0.133 8.375 8.290 -0.081 0.000 0.529 324 D N 3.063 123.439 120.400 -0.040 0.000 2.784 324 D HA 0.326 nan 4.640 nan 0.000 0.256 324 D C -2.293 174.004 176.300 -0.004 0.000 1.129 324 D CA -2.296 51.691 54.000 -0.021 0.000 1.102 324 D CB 2.787 43.590 40.800 0.005 0.000 1.330 324 D HN -0.064 8.291 8.370 -0.025 0.000 0.626 325 T N 0.233 114.798 114.554 0.019 0.000 3.767 325 T HA 0.396 nan 4.350 nan 0.000 0.360 325 T C -2.823 171.904 174.700 0.046 0.000 1.181 325 T CA -1.971 60.149 62.100 0.033 0.000 1.110 325 T CB 2.054 70.951 68.868 0.048 0.000 1.201 325 T HN 0.124 8.380 8.240 0.027 0.000 0.474 326 P HA 0.121 nan 4.420 nan 0.000 0.269 326 P C -1.523 175.787 177.300 0.016 0.000 1.215 326 P CA -0.407 62.709 63.100 0.027 0.000 0.780 326 P CB 0.699 32.413 31.700 0.024 0.000 0.898 327 R N 0.439 120.945 120.500 0.010 0.000 2.888 327 R HA 0.295 nan 4.340 nan 0.000 0.266 327 R C -0.798 175.500 176.300 -0.003 0.000 1.020 327 R CA -1.364 54.737 56.100 0.001 0.000 0.963 327 R CB 3.396 33.696 30.300 -0.001 0.000 1.197 327 R HN 0.235 8.405 8.270 0.012 0.107 0.481 328 N N -0.203 118.491 118.700 -0.009 0.000 2.124 328 N HA -0.198 nan 4.740 nan 0.000 0.189 328 N C -1.577 173.926 175.510 -0.012 0.000 1.050 328 N CA 1.800 54.842 53.050 -0.013 0.000 0.848 328 N CB 1.031 39.506 38.487 -0.021 0.000 1.027 328 N HN 0.295 8.669 8.380 -0.011 0.000 0.435 329 D N -8.056 112.336 120.400 -0.015 0.000 2.884 329 D HA -0.001 nan 4.640 nan 0.000 0.255 329 D C -1.622 174.665 176.300 -0.021 0.000 1.142 329 D CA -0.201 53.789 54.000 -0.016 0.000 0.726 329 D CB 2.324 43.113 40.800 -0.018 0.000 1.436 329 D HN -0.575 7.786 8.370 -0.016 0.000 0.441 330 D N 0.394 120.779 120.400 -0.025 0.000 2.224 330 D HA -0.150 nan 4.640 nan 0.000 0.205 330 D C 0.890 177.166 176.300 -0.041 0.000 0.965 330 D CA 2.747 56.726 54.000 -0.034 0.000 0.852 330 D CB 0.337 41.108 40.800 -0.048 0.000 0.947 330 D HN 0.323 8.679 8.370 -0.023 0.000 0.494 331 R N -3.358 117.119 120.500 -0.038 0.000 2.300 331 R HA 0.013 nan 4.340 nan 0.000 0.199 331 R C 0.195 176.475 176.300 -0.034 0.000 0.920 331 R CA 1.582 57.659 56.100 -0.038 0.000 1.046 331 R CB 0.262 30.541 30.300 -0.036 0.000 0.984 331 R HN -0.449 8.093 8.270 -0.033 -0.292 0.493 332 S N -1.251 114.430 115.700 -0.032 0.000 2.754 332 S HA 0.108 nan 4.470 nan 0.000 0.247 332 S C -1.558 173.023 174.600 -0.032 0.000 1.031 332 S CA -0.415 57.767 58.200 -0.031 0.000 1.014 332 S CB 0.531 63.715 63.200 -0.027 0.000 0.918 332 S HN -0.069 8.057 8.310 -0.030 0.166 0.519 333 S N 1.574 117.255 115.700 -0.033 0.000 2.509 333 S HA 0.187 nan 4.470 nan 0.000 0.297 333 S C -1.430 173.147 174.600 -0.037 0.000 1.118 333 S CA -0.909 57.271 58.200 -0.032 0.000 1.074 333 S CB 2.404 65.589 63.200 -0.025 0.000 1.038 333 S HN -0.816 7.421 8.310 -0.034 0.052 0.498 334 N N 3.507 122.181 118.700 -0.043 0.000 2.405 334 N HA 0.292 nan 4.740 nan 0.000 0.285 334 N C -2.311 173.166 175.510 -0.055 0.000 1.262 334 N CA -0.294 52.726 53.050 -0.050 0.000 0.773 334 N CB 3.683 42.134 38.487 -0.059 0.000 1.490 334 N HN 0.248 8.986 8.380 -0.043 -0.384 0.486 335 S N -1.524 114.140 115.700 -0.060 0.000 2.556 335 S HA 0.178 nan 4.470 nan 0.000 0.280 335 S C -1.945 172.610 174.600 -0.076 0.000 1.141 335 S CA -0.901 57.259 58.200 -0.067 0.000 0.883 335 S CB 1.487 64.668 63.200 -0.032 0.000 1.103 335 S HN 0.179 8.454 8.310 -0.058 0.000 0.453 336 N N 3.394 122.036 118.700 -0.097 0.000 2.177 336 N HA 0.180 nan 4.740 nan 0.000 0.218 336 N C 0.296 175.749 175.510 -0.094 0.000 1.182 336 N CA -1.243 51.751 53.050 -0.094 0.000 0.882 336 N CB -0.177 38.249 38.487 -0.102 0.000 1.052 336 N HN 0.535 8.841 8.380 -0.123 0.000 0.519 337 c N -4.257 114.295 118.600 -0.080 0.000 4.663 337 c HA -0.319 nan 4.570 nan 0.000 0.272 337 c C 0.845 174.919 174.090 -0.027 0.000 1.566 337 c CA 1.155 57.445 56.329 -0.066 0.000 1.735 337 c CB -2.764 39.662 42.510 -0.140 0.000 1.857 337 c HN -0.187 7.931 8.230 -0.069 0.070 0.674 338 R N -0.952 119.499 120.500 -0.082 0.000 2.167 338 R HA 0.056 nan 4.340 nan 0.000 0.195 338 R C -0.683 175.504 176.300 -0.188 0.000 1.027 338 R CA 0.826 56.878 56.100 -0.079 0.000 1.114 338 R CB 2.218 32.466 30.300 -0.086 0.000 1.075 338 R HN 0.029 8.443 8.270 -0.128 -0.221 0.538 339 D N -4.222 115.925 120.400 -0.423 0.000 2.570 339 D HA 0.410 nan 4.640 nan 0.000 0.244 339 D C -2.808 172.980 176.300 -0.854 0.000 1.178 339 D CA -2.590 51.035 54.000 -0.624 0.000 0.881 339 D CB 0.666 41.290 40.800 -0.292 0.000 1.453 339 D HN -0.532 7.903 8.370 -0.365 -0.284 0.447 340 P HA -0.140 nan 4.420 nan 0.000 0.263 340 P C -0.678 176.434 177.300 -0.314 0.000 1.175 340 P CA 0.306 63.115 63.100 -0.486 0.000 0.761 340 P CB 0.410 31.949 31.700 -0.269 0.000 0.794 341 N N 2.074 120.640 118.700 -0.224 0.000 2.515 341 N HA -0.219 nan 4.740 nan 0.000 0.185 341 N C 0.306 175.735 175.510 -0.135 0.000 1.109 341 N CA 0.260 53.217 53.050 -0.156 0.000 0.903 341 N CB 0.142 38.566 38.487 -0.105 0.000 0.969 341 N HN -0.210 8.219 8.380 -0.192 -0.164 0.450 342 N N -2.213 116.395 118.700 -0.152 0.000 2.721 342 N HA -0.389 nan 4.740 nan 0.000 0.249 342 N C -1.978 173.469 175.510 -0.106 0.000 1.072 342 N CA 1.584 54.544 53.050 -0.149 0.000 0.710 342 N CB -0.845 37.548 38.487 -0.157 0.000 0.993 342 N HN -0.186 8.031 8.380 -0.169 0.062 0.547 343 E N -0.334 119.816 120.200 -0.084 0.000 2.256 343 E HA 0.203 nan 4.350 nan 0.000 0.243 343 E C -0.816 175.757 176.600 -0.045 0.000 0.925 343 E CA -1.179 55.186 56.400 -0.058 0.000 0.748 343 E CB 0.061 29.732 29.700 -0.049 0.000 1.206 343 E HN -0.801 7.663 8.360 -0.086 -0.156 0.428 344 R N 1.208 121.683 120.500 -0.043 0.000 4.010 344 R HA -0.313 nan 4.340 nan 0.000 0.409 344 R C 0.782 177.067 176.300 -0.025 0.000 1.120 344 R CA 0.961 57.045 56.100 -0.026 0.000 1.244 344 R CB -1.830 28.462 30.300 -0.012 0.000 1.799 344 R HN 0.657 8.898 8.270 -0.048 0.000 0.559 345 G N -1.615 107.156 108.800 -0.048 0.000 2.869 345 G HA2 -0.442 nan 3.960 nan 0.000 0.236 345 G HA3 -0.442 nan 3.960 nan 0.000 0.236 345 G C 0.188 175.082 174.900 -0.010 0.000 1.134 345 G CA 1.224 46.296 45.100 -0.047 0.000 0.748 345 G HN 0.374 8.596 8.290 -0.065 0.029 0.644 346 T N 2.845 117.392 114.554 -0.012 0.000 2.906 346 T HA -0.229 nan 4.350 nan 0.000 0.329 346 T C -0.419 174.316 174.700 0.058 0.000 1.091 346 T CA 1.042 63.169 62.100 0.045 0.000 1.127 346 T CB -0.241 68.666 68.868 0.064 0.000 1.035 346 T HN -0.109 8.107 8.240 -0.040 0.000 0.547 347 Q N 1.192 121.040 119.800 0.080 0.000 0.611 347 Q HA -0.421 nan 4.340 nan 0.000 0.202 347 Q C -1.884 174.168 176.000 0.086 0.000 1.113 347 Q CA 0.713 56.568 55.803 0.087 0.000 0.197 347 Q CB -0.593 28.191 28.738 0.076 0.000 5.589 347 Q HN 0.343 8.668 8.270 0.092 0.000 0.297 348 G N -4.198 104.658 108.800 0.093 0.000 2.441 348 G HA2 0.154 nan 3.960 nan 0.000 0.225 348 G HA3 0.154 nan 3.960 nan 0.000 0.225 348 G C -3.081 171.868 174.900 0.082 0.000 1.200 348 G CA -0.145 45.002 45.100 0.077 0.000 0.947 348 G HN -0.171 8.183 8.290 0.106 0.000 0.484 349 V N -2.400 117.529 119.914 0.024 0.000 3.174 349 V HA 0.286 nan 4.120 nan 0.000 0.280 349 V C -2.684 173.274 176.094 -0.227 0.000 1.554 349 V CA -1.432 60.833 62.300 -0.059 0.000 1.016 349 V CB 4.321 36.174 31.823 0.050 0.000 1.197 349 V HN -0.256 8.026 8.190 0.006 -0.088 0.453 350 K N 4.777 124.797 120.400 -0.633 0.000 2.382 350 K HA 0.078 nan 4.320 nan 0.000 0.275 350 K C -1.341 175.158 176.600 -0.169 0.000 1.009 350 K CA 1.146 57.167 56.287 -0.444 0.000 0.970 350 K CB 0.937 33.029 32.500 -0.681 0.000 0.934 350 K HN 0.421 7.885 8.250 -1.310 0.000 0.479 351 G N 1.520 110.299 108.800 -0.035 0.000 2.911 351 G HA2 0.250 nan 3.960 nan 0.000 0.299 351 G HA3 0.250 nan 3.960 nan 0.000 0.299 351 G C -3.017 171.984 174.900 0.168 0.000 1.283 351 G CA -1.489 43.648 45.100 0.061 0.000 0.805 351 G HN -0.139 8.131 8.290 -0.034 0.000 0.548 352 W N -5.421 115.854 121.300 -0.042 0.000 2.989 352 W HA 0.334 nan 4.660 nan 0.000 0.344 352 W C -2.666 173.859 176.519 0.009 0.000 1.233 352 W CA -1.373 55.974 57.345 0.002 0.000 1.187 352 W CB 2.041 31.495 29.460 -0.011 0.000 1.443 352 W HN -0.144 7.855 8.180 -0.302 0.000 0.573 353 A N -0.899 121.950 122.820 0.047 0.000 2.549 353 A HA 0.568 nan 4.320 nan 0.000 0.291 353 A C -2.384 175.438 177.584 0.396 0.000 1.034 353 A CA 0.092 52.056 52.037 -0.122 0.000 0.655 353 A CB 2.550 21.426 19.000 -0.207 0.000 1.299 353 A HN -0.221 8.203 8.150 0.456 0.000 0.427 354 F N -4.061 115.933 119.950 0.073 0.000 2.678 354 F HA 0.485 nan 4.527 nan 0.000 0.308 354 F C -2.712 173.028 175.800 -0.100 0.000 1.118 354 F CA -0.890 57.089 58.000 -0.036 0.000 0.959 354 F CB 3.163 41.923 39.000 -0.400 0.000 1.305 354 F HN 0.501 8.748 8.300 -0.088 0.000 0.443 355 D N -0.168 120.122 120.400 -0.183 0.000 2.348 355 D HA 0.242 nan 4.640 nan 0.000 0.249 355 D C -1.014 175.209 176.300 -0.129 0.000 1.110 355 D CA -1.118 52.624 54.000 -0.431 0.000 0.967 355 D CB 1.307 41.424 40.800 -1.138 0.000 1.139 355 D HN -0.203 8.139 8.370 -0.046 0.000 0.466 356 N N 1.013 119.637 118.700 -0.127 0.000 2.793 356 N HA 0.042 nan 4.740 nan 0.000 0.251 356 N C 0.032 175.541 175.510 -0.003 0.000 1.308 356 N CA 0.144 53.203 53.050 0.015 0.000 0.781 356 N CB 2.216 40.773 38.487 0.118 0.000 1.439 356 N HN 0.225 8.491 8.380 -0.191 0.000 0.562 357 G N 6.185 114.991 108.800 0.010 0.000 2.620 357 G HA2 -0.507 nan 3.960 nan 0.000 0.315 357 G HA3 -0.507 nan 3.960 nan 0.000 0.315 357 G C -1.058 173.926 174.900 0.139 0.000 1.179 357 G CA 1.558 46.697 45.100 0.065 0.000 0.971 357 G HN 0.664 8.951 8.290 -0.005 0.000 0.544 358 N N 4.935 123.715 118.700 0.133 0.000 2.205 358 N HA 0.169 nan 4.740 nan 0.000 0.201 358 N C -1.357 174.246 175.510 0.155 0.000 1.128 358 N CA -0.319 52.851 53.050 0.199 0.000 0.867 358 N CB 1.258 39.811 38.487 0.110 0.000 0.996 358 N HN -0.026 8.400 8.380 0.078 0.000 0.503 359 D N 0.459 120.890 120.400 0.052 0.000 2.229 359 D HA 0.473 nan 4.640 nan 0.000 0.249 359 D C -2.420 173.817 176.300 -0.104 0.000 1.027 359 D CA 0.492 54.452 54.000 -0.066 0.000 0.923 359 D CB 2.634 43.321 40.800 -0.189 0.000 1.174 359 D HN 0.184 8.413 8.370 0.033 0.161 0.443 360 L N 1.044 122.163 121.223 -0.173 0.000 2.406 360 L HA 0.508 nan 4.340 nan 0.000 0.270 360 L C -1.900 174.761 176.870 -0.348 0.000 0.982 360 L CA -0.715 54.012 54.840 -0.188 0.000 0.843 360 L CB 2.736 44.814 42.059 0.032 0.000 1.225 360 L HN -0.348 7.768 8.230 -0.190 0.000 0.412 361 W N 8.020 129.012 121.300 -0.514 0.000 2.238 361 W HA 0.266 nan 4.660 nan 0.000 0.321 361 W C -1.140 175.039 176.519 -0.566 0.000 1.293 361 W CA 0.464 57.510 57.345 -0.499 0.000 1.204 361 W CB 1.236 30.237 29.460 -0.765 0.000 1.167 361 W HN 0.296 8.196 8.180 -0.468 0.000 0.553 362 M N -1.668 117.687 119.600 -0.409 0.000 2.471 362 M HA 0.615 nan 4.480 nan 0.000 0.284 362 M C -1.869 173.749 176.300 -1.137 0.000 1.203 362 M CA -0.599 54.115 55.300 -0.976 0.000 0.915 362 M CB 3.976 36.130 32.600 -0.744 0.000 1.734 362 M HN 0.472 8.609 8.290 -0.255 0.000 0.485 363 G N -0.906 106.946 108.800 -1.581 0.000 2.461 363 G HA2 0.725 nan 3.960 nan 0.000 0.329 363 G HA3 0.725 nan 3.960 nan 0.000 0.329 363 G C -1.643 172.673 174.900 -0.973 0.000 1.170 363 G CA -1.507 43.012 45.100 -0.968 0.000 0.935 363 G HN -0.144 6.714 8.290 -2.386 0.000 0.492 364 R N -1.226 118.615 120.500 -1.099 0.000 2.753 364 R HA 0.309 nan 4.340 nan 0.000 0.272 364 R C -1.675 174.146 176.300 -0.798 0.000 1.034 364 R CA -0.467 55.197 56.100 -0.727 0.000 0.869 364 R CB 3.959 34.002 30.300 -0.427 0.000 1.264 364 R HN 0.089 7.489 8.270 -1.450 0.000 0.481 365 T N -1.778 112.567 114.554 -0.349 0.000 2.849 365 T HA 0.339 nan 4.350 nan 0.000 0.284 365 T C 1.107 175.769 174.700 -0.064 0.000 1.004 365 T CA -1.518 60.517 62.100 -0.108 0.000 1.021 365 T CB 0.935 69.843 68.868 0.068 0.000 1.013 365 T HN 0.446 8.551 8.240 -0.226 0.000 0.527 366 I N 0.157 120.744 120.570 0.029 0.000 2.315 366 I HA -0.230 nan 4.170 nan 0.000 0.248 366 I C -0.057 176.082 176.117 0.037 0.000 1.117 366 I CA 2.760 64.087 61.300 0.044 0.000 1.404 366 I CB 0.329 38.375 38.000 0.078 0.000 1.071 366 I HN -0.180 7.972 8.210 0.087 0.111 0.419 367 S N -0.826 114.900 115.700 0.043 0.000 2.541 367 S HA 0.121 nan 4.470 nan 0.000 0.283 367 S C 0.234 174.851 174.600 0.027 0.000 1.196 367 S CA -0.817 57.405 58.200 0.036 0.000 1.062 367 S CB 2.041 65.267 63.200 0.043 0.000 1.009 367 S HN -0.532 7.813 8.310 0.058 0.000 0.502 368 K N 2.578 122.990 120.400 0.020 0.000 2.103 368 K HA -0.198 nan 4.320 nan 0.000 0.204 368 K C 1.414 178.027 176.600 0.021 0.000 1.052 368 K CA 3.098 59.393 56.287 0.015 0.000 0.945 368 K CB -0.471 32.034 32.500 0.008 0.000 0.722 368 K HN 0.620 8.881 8.250 0.019 0.000 0.443 369 D N -1.708 118.707 120.400 0.025 0.000 2.149 369 D HA -0.098 nan 4.640 nan 0.000 0.206 369 D C 0.671 176.995 176.300 0.039 0.000 0.967 369 D CA 1.908 55.925 54.000 0.028 0.000 0.848 369 D CB 0.227 41.040 40.800 0.023 0.000 0.998 369 D HN -0.155 8.230 8.370 0.024 0.000 0.474 370 L N -2.505 118.746 121.223 0.047 0.000 2.260 370 L HA 0.319 nan 4.340 nan 0.000 0.265 370 L C -0.683 176.235 176.870 0.081 0.000 1.015 370 L CA -1.813 53.064 54.840 0.061 0.000 0.826 370 L CB 2.125 44.218 42.059 0.055 0.000 1.373 370 L HN -0.515 7.741 8.230 0.044 0.000 0.450 371 R N -0.081 120.482 120.500 0.104 0.000 3.436 371 R HA 0.112 nan 4.340 nan 0.000 0.247 371 R C -1.609 174.778 176.300 0.146 0.000 1.434 371 R CA -0.613 55.573 56.100 0.142 0.000 1.543 371 R CB -0.646 29.758 30.300 0.174 0.000 1.289 371 R HN 0.439 8.768 8.270 0.098 0.000 0.664 372 S N 1.334 117.113 115.700 0.131 0.000 2.561 372 S HA 0.440 nan 4.470 nan 0.000 0.303 372 S C -1.043 173.647 174.600 0.151 0.000 1.110 372 S CA -0.582 57.697 58.200 0.130 0.000 1.034 372 S CB 2.924 66.180 63.200 0.093 0.000 1.010 372 S HN -0.503 7.839 8.310 0.116 0.038 0.482 373 G N 5.199 114.109 108.800 0.183 0.000 2.860 373 G HA2 -0.361 nan 3.960 nan 0.000 0.553 373 G HA3 -0.361 nan 3.960 nan 0.000 0.553 373 G C -3.220 171.867 174.900 0.311 0.000 1.439 373 G CA -0.018 45.210 45.100 0.213 0.000 0.879 373 G HN 0.296 8.611 8.290 0.179 0.082 0.545 374 Y N -0.070 120.309 120.300 0.132 0.000 2.552 374 Y HA 0.497 nan 4.550 nan 0.000 0.337 374 Y C -2.560 173.414 175.900 0.124 0.000 1.094 374 Y CA -0.952 57.221 58.100 0.122 0.000 1.028 374 Y CB 4.401 42.951 38.460 0.149 0.000 1.321 374 Y HN -0.140 8.237 8.280 0.313 0.091 0.456 375 E N 1.888 122.055 120.200 -0.054 0.000 2.356 375 E HA 0.751 nan 4.350 nan 0.000 0.275 375 E C -2.440 174.102 176.600 -0.097 0.000 0.904 375 E CA -2.078 54.360 56.400 0.064 0.000 0.757 375 E CB 4.391 34.176 29.700 0.141 0.000 1.232 375 E HN 0.813 8.869 8.360 -0.505 0.000 0.442 376 T N -3.799 110.809 114.554 0.090 0.000 2.924 376 T HA 0.996 nan 4.350 nan 0.000 0.291 376 T C -1.733 173.077 174.700 0.183 0.000 1.045 376 T CA -2.458 59.650 62.100 0.013 0.000 1.015 376 T CB 2.652 71.739 68.868 0.365 0.000 1.103 376 T HN 0.584 8.961 8.240 0.228 0.000 0.496 377 F N -4.987 115.089 119.950 0.210 0.000 2.793 377 F HA 0.528 nan 4.527 nan 0.000 0.316 377 F C -2.891 172.860 175.800 -0.083 0.000 1.147 377 F CA -0.822 57.244 58.000 0.111 0.000 0.930 377 F CB 1.635 40.637 39.000 0.005 0.000 1.277 377 F HN 0.227 8.345 8.300 -0.304 0.000 0.443 378 K N 0.164 120.489 120.400 -0.125 0.000 2.156 378 K HA 0.536 nan 4.320 nan 0.000 0.271 378 K C -1.964 174.527 176.600 -0.182 0.000 0.995 378 K CA -1.749 54.178 56.287 -0.601 0.000 0.890 378 K CB 2.585 34.246 32.500 -1.398 0.000 1.073 378 K HN 0.276 8.487 8.250 -0.065 0.000 0.454 379 V N 6.960 126.789 119.914 -0.141 0.000 2.347 379 V HA 0.499 nan 4.120 nan 0.000 0.280 379 V C -0.096 175.928 176.094 -0.117 0.000 1.021 379 V CA -1.197 61.072 62.300 -0.052 0.000 0.847 379 V CB 1.174 33.017 31.823 0.033 0.000 0.990 379 V HN 0.165 8.214 8.190 -0.234 0.000 0.444 380 I N 7.592 128.095 120.570 -0.112 0.000 2.668 380 I HA -0.213 nan 4.170 nan 0.000 0.285 380 I C 1.437 177.521 176.117 -0.054 0.000 1.168 380 I CA -0.309 60.934 61.300 -0.095 0.000 1.424 380 I CB -1.590 36.359 38.000 -0.085 0.000 1.377 380 I HN 0.911 8.962 8.210 -0.111 0.093 0.560 381 G N 7.044 115.825 108.800 -0.032 0.000 2.203 381 G HA2 -0.376 nan 3.960 nan 0.000 0.263 381 G HA3 -0.376 nan 3.960 nan 0.000 0.263 381 G C 0.563 175.471 174.900 0.014 0.000 1.012 381 G CA 0.889 45.988 45.100 -0.001 0.000 0.749 381 G HN 0.371 8.849 8.290 -0.040 -0.212 0.512 382 G N -1.241 107.572 108.800 0.022 0.000 2.776 382 G HA2 -0.132 nan 3.960 nan 0.000 0.209 382 G HA3 -0.132 nan 3.960 nan 0.000 0.209 382 G C -0.574 174.407 174.900 0.136 0.000 1.145 382 G CA 0.328 45.455 45.100 0.045 0.000 0.791 382 G HN -0.211 8.031 8.290 -0.005 0.045 0.530 383 W N -1.452 119.821 121.300 -0.044 0.000 2.873 383 W HA 0.295 nan 4.660 nan 0.000 0.282 383 W C -1.556 174.961 176.519 -0.004 0.000 1.118 383 W CA 0.482 57.817 57.345 -0.017 0.000 1.480 383 W CB 1.535 30.992 29.460 -0.006 0.000 0.954 383 W HN 0.112 8.264 8.180 0.210 0.154 0.591 384 S N -2.971 112.716 115.700 -0.023 0.000 2.687 384 S HA 0.139 nan 4.470 nan 0.000 0.247 384 S C -0.601 173.952 174.600 -0.078 0.000 1.050 384 S CA 0.731 58.877 58.200 -0.091 0.000 1.063 384 S CB 2.211 65.430 63.200 0.032 0.000 1.039 384 S HN -0.591 7.763 8.310 0.073 0.000 0.580 385 T N 6.071 120.589 114.554 -0.060 0.000 2.815 385 T HA 0.533 nan 4.350 nan 0.000 0.289 385 T C -2.618 172.043 174.700 -0.066 0.000 1.000 385 T CA -1.853 60.214 62.100 -0.054 0.000 0.958 385 T CB 1.200 70.048 68.868 -0.033 0.000 0.944 385 T HN -0.438 7.776 8.240 -0.043 0.000 0.442 386 P HA -0.227 nan 4.420 nan 0.000 0.266 386 P C -0.465 176.801 177.300 -0.058 0.000 1.195 386 P CA 0.248 63.305 63.100 -0.073 0.000 0.768 386 P CB 0.304 31.961 31.700 -0.073 0.000 0.838 387 N N 0.967 119.634 118.700 -0.055 0.000 2.708 387 N HA -0.402 nan 4.740 nan 0.000 0.249 387 N C -0.492 174.992 175.510 -0.042 0.000 1.097 387 N CA 0.930 53.952 53.050 -0.047 0.000 0.710 387 N CB -0.046 38.411 38.487 -0.049 0.000 1.032 387 N HN 0.194 8.539 8.380 -0.058 0.000 0.551 388 S N -1.539 114.137 115.700 -0.039 0.000 2.481 388 S HA 0.128 nan 4.470 nan 0.000 0.276 388 S C 0.032 174.608 174.600 -0.040 0.000 1.247 388 S CA -0.062 58.114 58.200 -0.039 0.000 1.053 388 S CB 0.660 63.839 63.200 -0.035 0.000 0.925 388 S HN -0.671 7.585 8.310 -0.040 0.029 0.491 389 K N 5.014 125.383 120.400 -0.051 0.000 3.135 389 K HA 0.250 nan 4.320 nan 0.000 0.210 389 K C -1.081 175.464 176.600 -0.092 0.000 1.176 389 K CA -1.509 54.739 56.287 -0.065 0.000 1.064 389 K CB -0.359 32.103 32.500 -0.063 0.000 1.009 389 K HN 0.400 8.619 8.250 -0.051 0.000 0.472 390 S N 1.431 117.078 115.700 -0.088 0.000 2.520 390 S HA 0.195 nan 4.470 nan 0.000 0.324 390 S C -1.254 173.269 174.600 -0.128 0.000 1.069 390 S CA -1.373 56.766 58.200 -0.103 0.000 1.121 390 S CB 0.456 63.609 63.200 -0.078 0.000 0.971 390 S HN -0.010 8.193 8.310 -0.070 0.065 0.463 391 Q N 4.246 123.932 119.800 -0.189 0.000 2.256 391 Q HA 0.729 nan 4.340 nan 0.000 0.257 391 Q C -0.863 175.040 176.000 -0.162 0.000 0.936 391 Q CA -0.908 54.761 55.803 -0.223 0.000 0.903 391 Q CB 1.803 30.229 28.738 -0.519 0.000 1.263 391 Q HN 0.152 8.301 8.270 -0.202 0.000 0.440 392 I N 3.019 123.516 120.570 -0.123 0.000 2.730 392 I HA 0.290 nan 4.170 nan 0.000 0.298 392 I C -2.178 173.921 176.117 -0.030 0.000 1.089 392 I CA -1.644 59.609 61.300 -0.079 0.000 1.041 392 I CB 4.039 41.984 38.000 -0.091 0.000 1.235 392 I HN 0.884 8.911 8.210 -0.131 0.105 0.423 393 N N 2.846 121.586 118.700 0.067 0.000 2.643 393 N HA -0.287 nan 4.740 nan 0.000 0.267 393 N C -1.971 173.733 175.510 0.323 0.000 1.158 393 N CA 0.469 53.648 53.050 0.216 0.000 0.684 393 N CB -0.876 37.784 38.487 0.289 0.000 0.879 393 N HN 0.284 8.694 8.380 0.050 0.000 0.553 394 R N 0.381 121.052 120.500 0.285 0.000 2.540 394 R HA 0.490 nan 4.340 nan 0.000 0.287 394 R C -1.374 175.125 176.300 0.333 0.000 0.980 394 R CA -0.792 55.511 56.100 0.338 0.000 0.966 394 R CB 2.114 32.555 30.300 0.235 0.000 1.106 394 R HN -0.179 8.219 8.270 0.213 0.000 0.480 395 Q N 3.450 123.452 119.800 0.337 0.000 2.289 395 Q HA 0.160 nan 4.340 nan 0.000 0.270 395 Q C -2.042 174.125 176.000 0.278 0.000 1.038 395 Q CA -0.797 55.191 55.803 0.308 0.000 0.812 395 Q CB 4.460 33.369 28.738 0.285 0.000 1.300 395 Q HN 0.276 8.764 8.270 0.364 0.000 0.427 396 V N 3.837 123.908 119.914 0.262 0.000 2.461 396 V HA 0.301 nan 4.120 nan 0.000 0.275 396 V C -0.426 175.852 176.094 0.307 0.000 1.047 396 V CA 0.407 62.855 62.300 0.247 0.000 0.955 396 V CB -0.028 31.911 31.823 0.193 0.000 0.988 396 V HN 0.648 8.996 8.190 0.263 0.000 0.471 397 I N 6.241 126.997 120.570 0.309 0.000 3.172 397 I HA 0.219 nan 4.170 nan 0.000 0.278 397 I C -0.672 175.694 176.117 0.415 0.000 1.174 397 I CA 0.079 61.563 61.300 0.308 0.000 1.445 397 I CB 1.215 39.322 38.000 0.179 0.000 1.175 397 I HN 0.359 8.755 8.210 0.310 0.000 0.447 398 V N -1.352 118.766 119.914 0.341 0.000 2.686 398 V HA 0.221 nan 4.120 nan 0.000 0.306 398 V C -1.883 174.342 176.094 0.219 0.000 1.065 398 V CA -2.030 60.443 62.300 0.289 0.000 0.894 398 V CB 3.249 35.239 31.823 0.278 0.000 1.004 398 V HN -0.694 7.700 8.190 0.340 0.000 0.424 399 D N 5.642 126.140 120.400 0.163 0.000 2.414 399 D HA 0.026 nan 4.640 nan 0.000 0.242 399 D C 0.658 177.027 176.300 0.115 0.000 1.129 399 D CA 0.165 54.237 54.000 0.120 0.000 0.885 399 D CB 0.961 41.809 40.800 0.079 0.000 1.198 399 D HN -0.074 8.390 8.370 0.156 0.000 0.437 400 S N 1.528 117.287 115.700 0.099 0.000 2.423 400 S HA -0.325 nan 4.470 nan 0.000 0.238 400 S C 0.238 174.882 174.600 0.073 0.000 1.028 400 S CA 2.576 60.828 58.200 0.086 0.000 1.000 400 S CB -0.376 62.865 63.200 0.068 0.000 0.797 400 S HN 0.358 8.723 8.310 0.092 0.000 0.487 401 D N -0.431 120.008 120.400 0.065 0.000 2.325 401 D HA 0.075 nan 4.640 nan 0.000 0.234 401 D C -0.790 175.545 176.300 0.060 0.000 1.122 401 D CA 0.672 54.703 54.000 0.052 0.000 0.850 401 D CB 0.072 40.896 40.800 0.039 0.000 0.921 401 D HN -0.330 8.222 8.370 0.066 -0.143 0.513 402 N N -0.634 118.115 118.700 0.082 0.000 2.469 402 N HA 0.308 nan 4.740 nan 0.000 0.286 402 N C -1.617 173.960 175.510 0.111 0.000 1.275 402 N CA -1.296 51.811 53.050 0.094 0.000 0.790 402 N CB 3.364 41.919 38.487 0.113 0.000 1.446 402 N HN -0.217 8.030 8.380 0.092 0.189 0.501 403 R N -1.316 119.254 120.500 0.116 0.000 2.500 403 R HA 0.391 nan 4.340 nan 0.000 0.277 403 R C -0.593 175.805 176.300 0.163 0.000 1.026 403 R CA -0.251 55.926 56.100 0.128 0.000 1.058 403 R CB 1.107 31.474 30.300 0.112 0.000 1.078 403 R HN 0.381 8.716 8.270 0.109 0.000 0.509 404 S N 0.344 116.153 115.700 0.182 0.000 4.323 404 S HA 0.350 nan 4.470 nan 0.000 0.245 404 S C -1.396 173.336 174.600 0.220 0.000 1.102 404 S CA -1.181 57.145 58.200 0.210 0.000 1.550 404 S CB 2.492 65.866 63.200 0.290 0.000 1.359 404 S HN 0.474 8.886 8.310 0.171 0.000 0.725 405 G N -0.801 108.161 108.800 0.270 0.000 2.384 405 G HA2 -0.147 nan 3.960 nan 0.000 0.150 405 G HA3 -0.147 nan 3.960 nan 0.000 0.150 405 G C -1.612 173.540 174.900 0.420 0.000 1.269 405 G CA -0.407 44.889 45.100 0.327 0.000 1.094 405 G HN -0.196 8.276 8.290 0.303 0.000 0.467 406 Y N 3.711 124.130 120.300 0.198 0.000 2.469 406 Y HA -0.094 nan 4.550 nan 0.000 0.353 406 Y C -0.466 175.519 175.900 0.142 0.000 1.269 406 Y CA 1.292 59.517 58.100 0.209 0.000 1.504 406 Y CB 0.388 39.008 38.460 0.267 0.000 1.369 406 Y HN -0.094 8.544 8.280 0.597 0.000 0.654 407 S N -2.773 113.003 115.700 0.126 0.000 2.608 407 S HA 0.201 nan 4.470 nan 0.000 0.285 407 S C -2.257 172.146 174.600 -0.330 0.000 1.108 407 S CA -0.386 57.608 58.200 -0.342 0.000 0.858 407 S CB 3.546 66.702 63.200 -0.073 0.000 1.077 407 S HN 0.106 8.483 8.310 0.112 0.000 0.450 408 G N -1.664 106.621 108.800 -0.857 0.000 2.695 408 G HA2 0.484 nan 3.960 nan 0.000 0.290 408 G HA3 0.484 nan 3.960 nan 0.000 0.290 408 G C -3.201 171.617 174.900 -0.136 0.000 1.410 408 G CA -1.132 43.894 45.100 -0.123 0.000 0.844 408 G HN -0.315 6.925 8.290 -1.750 0.000 0.478 409 I N -0.769 119.842 120.570 0.068 0.000 2.577 409 I HA 0.902 nan 4.170 nan 0.000 0.305 409 I C -2.194 174.034 176.117 0.184 0.000 0.986 409 I CA -2.123 59.137 61.300 -0.067 0.000 1.189 409 I CB 2.499 40.514 38.000 0.025 0.000 1.355 409 I HN 0.252 8.590 8.210 0.214 0.000 0.476 410 F N 3.526 123.471 119.950 -0.009 0.000 2.569 410 F HA 0.720 nan 4.527 nan 0.000 0.312 410 F C -2.652 173.116 175.800 -0.054 0.000 1.109 410 F CA -2.674 55.353 58.000 0.045 0.000 0.919 410 F CB 2.757 41.846 39.000 0.148 0.000 1.211 410 F HN 0.658 8.617 8.300 -0.373 0.117 0.446 411 S N 1.589 117.359 115.700 0.116 0.000 2.593 411 S HA 0.714 nan 4.470 nan 0.000 0.297 411 S C -1.441 173.343 174.600 0.305 0.000 1.112 411 S CA -1.898 56.291 58.200 -0.019 0.000 1.043 411 S CB 2.255 65.314 63.200 -0.236 0.000 1.054 411 S HN -0.108 8.440 8.310 0.182 -0.129 0.516 412 V N 0.053 120.111 119.914 0.240 0.000 2.760 412 V HA 0.352 nan 4.120 nan 0.000 0.309 412 V C -2.440 173.794 176.094 0.233 0.000 1.077 412 V CA -1.681 60.802 62.300 0.305 0.000 0.910 412 V CB 4.128 36.070 31.823 0.199 0.000 1.008 412 V HN 0.182 8.402 8.190 0.050 0.000 0.424 413 E N 5.872 126.155 120.200 0.138 0.000 2.360 413 E HA 0.032 nan 4.350 nan 0.000 0.269 413 E C -0.743 175.852 176.600 -0.008 0.000 1.022 413 E CA -0.436 55.985 56.400 0.034 0.000 0.887 413 E CB 0.924 30.513 29.700 -0.185 0.000 0.990 413 E HN 0.367 8.744 8.360 0.029 0.000 0.426 414 G N 2.849 111.650 108.800 0.001 0.000 2.552 414 G HA2 0.243 nan 3.960 nan 0.000 0.318 414 G HA3 0.243 nan 3.960 nan 0.000 0.318 414 G C -1.548 173.337 174.900 -0.025 0.000 1.240 414 G CA -1.489 43.601 45.100 -0.017 0.000 1.002 414 G HN 0.136 8.344 8.290 0.027 0.097 0.493 415 K N -0.263 120.123 120.400 -0.024 0.000 2.522 415 K HA -0.080 nan 4.320 nan 0.000 0.194 415 K C -0.231 176.357 176.600 -0.019 0.000 1.026 415 K CA 1.910 58.182 56.287 -0.026 0.000 1.119 415 K CB -0.259 32.228 32.500 -0.023 0.000 0.856 415 K HN 0.416 8.653 8.250 -0.020 0.000 0.513 416 S N -5.106 110.587 115.700 -0.013 0.000 2.874 416 S HA 0.026 nan 4.470 nan 0.000 0.271 416 S C -0.777 173.824 174.600 0.002 0.000 1.061 416 S CA 0.149 58.346 58.200 -0.006 0.000 1.029 416 S CB 0.802 64.000 63.200 -0.003 0.000 0.925 416 S HN 0.156 8.362 8.310 -0.011 0.097 0.459 417 c N -1.207 117.397 118.600 0.007 0.000 3.171 417 c HA 0.650 nan 4.570 nan 0.000 0.308 417 c C -1.812 172.297 174.090 0.032 0.000 1.334 417 c CA -3.007 53.334 56.329 0.020 0.000 1.473 417 c CB 3.889 46.407 42.510 0.012 0.000 1.866 417 c HN -0.692 7.538 8.230 0.000 0.000 0.465 418 I N -2.286 118.322 120.570 0.063 0.000 2.315 418 I HA 0.456 nan 4.170 nan 0.000 0.291 418 I C -1.670 174.443 176.117 -0.007 0.000 1.006 418 I CA -1.104 60.258 61.300 0.104 0.000 1.265 418 I CB 0.742 38.926 38.000 0.307 0.000 1.387 418 I HN -0.024 8.223 8.210 0.062 0.000 0.475 419 N N 6.930 125.603 118.700 -0.046 0.000 2.379 419 N HA 0.084 nan 4.740 nan 0.000 0.260 419 N C -1.626 173.724 175.510 -0.266 0.000 1.254 419 N CA -0.607 52.349 53.050 -0.156 0.000 0.958 419 N CB 1.902 40.296 38.487 -0.155 0.000 1.208 419 N HN -0.049 8.327 8.380 -0.006 0.000 0.532 420 R N -1.012 119.237 120.500 -0.417 0.000 2.532 420 R HA 0.568 nan 4.340 nan 0.000 0.297 420 R C -1.241 174.709 176.300 -0.583 0.000 0.984 420 R CA -1.132 54.606 56.100 -0.604 0.000 0.884 420 R CB 2.408 32.055 30.300 -1.088 0.000 1.182 420 R HN 0.152 8.201 8.270 -0.368 0.000 0.442 421 c N 2.361 120.454 118.600 -0.846 0.000 2.710 421 c HA 0.980 nan 4.570 nan 0.000 0.367 421 c C -1.574 171.855 174.090 -1.102 0.000 1.315 421 c CA -1.884 53.796 56.329 -1.083 0.000 1.764 421 c CB 3.508 44.999 42.510 -1.698 0.000 2.182 421 c HN 1.096 8.692 8.230 -0.880 0.107 0.491 422 F N -3.249 116.074 119.950 -1.045 0.000 2.641 422 F HA 0.899 nan 4.527 nan 0.000 0.308 422 F C -3.376 172.279 175.800 -0.242 0.000 1.105 422 F CA -1.702 55.810 58.000 -0.813 0.000 0.964 422 F CB 2.513 40.578 39.000 -1.559 0.000 1.294 422 F HN 0.230 7.875 8.300 -1.092 0.000 0.442 423 Y N -2.297 118.061 120.300 0.097 0.000 2.567 423 Y HA 0.865 nan 4.550 nan 0.000 0.333 423 Y C -2.715 173.266 175.900 0.135 0.000 1.106 423 Y CA -3.131 55.041 58.100 0.119 0.000 1.157 423 Y CB 2.602 41.203 38.460 0.234 0.000 1.277 423 Y HN 0.332 8.602 8.280 -0.017 0.000 0.490 424 V N 0.008 120.024 119.914 0.170 0.000 2.524 424 V HA 0.325 nan 4.120 nan 0.000 0.297 424 V C -2.272 173.945 176.094 0.205 0.000 1.035 424 V CA -1.819 60.479 62.300 -0.004 0.000 0.867 424 V CB 2.723 34.368 31.823 -0.297 0.000 1.004 424 V HN 0.030 8.389 8.190 0.281 0.000 0.426 425 E N 9.059 129.437 120.200 0.296 0.000 2.290 425 E HA 0.211 nan 4.350 nan 0.000 0.277 425 E C -0.957 175.775 176.600 0.220 0.000 1.035 425 E CA -0.730 55.854 56.400 0.307 0.000 0.873 425 E CB 1.176 31.102 29.700 0.377 0.000 1.029 425 E HN 0.003 8.516 8.360 0.255 0.000 0.419 426 L N 6.737 128.077 121.223 0.195 0.000 2.283 426 L HA 0.378 nan 4.340 nan 0.000 0.281 426 L C -0.758 176.216 176.870 0.173 0.000 1.033 426 L CA -1.796 53.150 54.840 0.176 0.000 0.848 426 L CB -0.200 41.960 42.059 0.168 0.000 1.226 426 L HN 0.220 8.569 8.230 0.198 0.000 0.429 427 I N 4.795 125.464 120.570 0.164 0.000 2.472 427 I HA 0.304 nan 4.170 nan 0.000 0.290 427 I C -1.488 174.715 176.117 0.143 0.000 1.016 427 I CA -0.697 60.696 61.300 0.155 0.000 1.348 427 I CB 1.346 39.422 38.000 0.126 0.000 1.417 427 I HN -0.245 8.064 8.210 0.166 0.000 0.521 428 R N 5.000 125.606 120.500 0.176 0.000 2.930 428 R HA 0.465 nan 4.340 nan 0.000 0.257 428 R C -0.962 175.363 176.300 0.041 0.000 1.107 428 R CA -2.899 53.284 56.100 0.139 0.000 0.999 428 R CB 3.129 33.586 30.300 0.261 0.000 1.209 428 R HN 0.702 9.108 8.270 0.228 0.000 0.486 429 G N -1.109 107.549 108.800 -0.237 0.000 2.582 429 G HA2 -0.414 nan 3.960 nan 0.000 0.222 429 G HA3 -0.414 nan 3.960 nan 0.000 0.222 429 G C -1.168 173.505 174.900 -0.378 0.000 1.311 429 G CA -0.631 44.104 45.100 -0.608 0.000 0.915 429 G HN -0.588 7.754 8.290 -0.191 -0.167 0.528 430 R N 1.582 121.834 120.500 -0.414 0.000 2.740 430 R HA -0.227 nan 4.340 nan 0.000 0.263 430 R C 0.794 176.991 176.300 -0.172 0.000 0.997 430 R CA 0.849 56.777 56.100 -0.287 0.000 1.108 430 R CB 0.138 30.291 30.300 -0.245 0.000 0.969 430 R HN -0.001 7.930 8.270 -0.565 0.000 0.431 431 K N 1.233 121.532 120.400 -0.168 0.000 9.614 431 K HA -0.401 nan 4.320 nan 0.000 0.497 431 K C 1.020 177.554 176.600 -0.109 0.000 0.527 431 K CA 2.323 58.544 56.287 -0.111 0.000 1.910 431 K CB -1.588 30.872 32.500 -0.067 0.000 0.694 431 K HN 0.309 8.426 8.250 -0.221 0.000 1.058 432 Q N 1.140 120.886 119.800 -0.089 0.000 1.942 432 Q HA -0.195 nan 4.340 nan 0.000 0.203 432 Q C 0.648 176.579 176.000 -0.115 0.000 0.987 432 Q CA 1.990 57.748 55.803 -0.074 0.000 0.844 432 Q CB 0.780 29.494 28.738 -0.041 0.000 0.911 432 Q HN 0.034 8.238 8.270 -0.076 0.020 0.423 433 E N -1.158 118.951 120.200 -0.150 0.000 2.289 433 E HA 0.004 nan 4.350 nan 0.000 0.278 433 E C -0.058 176.374 176.600 -0.279 0.000 1.032 433 E CA 0.196 56.479 56.400 -0.195 0.000 0.854 433 E CB 0.690 30.269 29.700 -0.201 0.000 1.046 433 E HN -0.446 7.826 8.360 -0.148 0.000 0.409 434 T N 4.107 118.499 114.554 -0.269 0.000 2.990 434 T HA 0.121 nan 4.350 nan 0.000 0.249 434 T C 1.192 175.650 174.700 -0.403 0.000 1.039 434 T CA 0.969 62.857 62.100 -0.352 0.000 1.036 434 T CB 0.236 68.936 68.868 -0.280 0.000 0.994 434 T HN 0.383 8.496 8.240 -0.211 0.000 0.489 435 R N 0.368 120.697 120.500 -0.285 0.000 2.117 435 R HA -0.196 nan 4.340 nan 0.000 0.243 435 R C -0.215 175.936 176.300 -0.248 0.000 1.143 435 R CA 2.105 58.078 56.100 -0.212 0.000 0.968 435 R CB -0.110 30.122 30.300 -0.113 0.000 0.863 435 R HN -0.129 7.999 8.270 -0.236 0.000 0.444 436 V N -8.930 110.762 119.914 -0.369 0.000 2.966 436 V HA 0.159 nan 4.120 nan 0.000 0.317 436 V C -0.488 175.273 176.094 -0.556 0.000 1.070 436 V CA -3.165 58.887 62.300 -0.412 0.000 1.008 436 V CB 1.393 32.718 31.823 -0.829 0.000 1.070 436 V HN -0.791 7.123 8.190 -0.416 0.026 0.457 437 W N -1.081 120.037 121.300 -0.304 0.000 2.991 437 W HA 0.330 nan 4.660 nan 0.000 0.391 437 W C -1.119 175.351 176.519 -0.081 0.000 1.054 437 W CA -0.045 57.211 57.345 -0.148 0.000 1.856 437 W CB 0.485 29.948 29.460 0.005 0.000 1.132 437 W HN 0.327 8.578 8.180 0.119 0.000 0.601 438 W N -5.023 116.383 121.300 0.177 0.000 2.630 438 W HA 0.787 nan 4.660 nan 0.000 0.365 438 W C -2.148 174.414 176.519 0.072 0.000 1.270 438 W CA -2.250 55.168 57.345 0.122 0.000 1.291 438 W CB 1.842 31.371 29.460 0.116 0.000 1.440 438 W HN -0.950 6.587 8.180 -0.966 0.063 0.652 439 T N 1.514 116.344 114.554 0.459 0.000 2.991 439 T HA 0.425 nan 4.350 nan 0.000 0.303 439 T C -1.970 172.965 174.700 0.391 0.000 1.015 439 T CA -0.294 61.991 62.100 0.309 0.000 1.007 439 T CB 1.557 70.499 68.868 0.124 0.000 1.034 439 T HN 0.010 8.542 8.240 0.487 0.000 0.446 440 S N 3.880 119.831 115.700 0.419 0.000 2.615 440 S HA 0.529 nan 4.470 nan 0.000 0.269 440 S C -2.236 172.521 174.600 0.261 0.000 1.161 440 S CA -1.044 57.339 58.200 0.305 0.000 0.817 440 S CB 1.910 65.264 63.200 0.257 0.000 1.131 440 S HN 0.366 8.936 8.310 0.433 0.000 0.467 441 N N 0.049 118.873 118.700 0.207 0.000 2.629 441 N HA 0.714 nan 4.740 nan 0.000 0.279 441 N C -1.947 173.669 175.510 0.177 0.000 1.344 441 N CA -1.161 52.004 53.050 0.192 0.000 0.789 441 N CB 3.567 42.161 38.487 0.177 0.000 1.508 441 N HN 0.064 8.561 8.380 0.195 0.000 0.516 442 S N -1.724 114.075 115.700 0.165 0.000 2.732 442 S HA 0.630 nan 4.470 nan 0.000 0.293 442 S C -1.748 172.936 174.600 0.140 0.000 1.159 442 S CA -1.488 56.792 58.200 0.133 0.000 0.847 442 S CB 3.134 66.408 63.200 0.123 0.000 1.169 442 S HN 0.086 8.500 8.310 0.173 0.000 0.501 443 I N -5.311 115.322 120.570 0.106 0.000 3.191 443 I HA 0.947 nan 4.170 nan 0.000 0.313 443 I C -2.273 173.904 176.117 0.099 0.000 1.193 443 I CA -1.556 59.821 61.300 0.128 0.000 0.968 443 I CB 3.383 41.459 38.000 0.128 0.000 1.262 443 I HN -0.439 7.982 8.210 0.068 -0.170 0.456 444 V N -0.843 119.145 119.914 0.123 0.000 3.114 444 V HA 0.827 nan 4.120 nan 0.000 0.308 444 V C -2.381 173.763 176.094 0.083 0.000 1.168 444 V CA -1.522 60.829 62.300 0.084 0.000 1.015 444 V CB 3.342 35.283 31.823 0.197 0.000 1.050 444 V HN -0.285 8.007 8.190 0.169 0.000 0.433 445 V N -0.516 119.383 119.914 -0.024 0.000 2.950 445 V HA 0.828 nan 4.120 nan 0.000 0.295 445 V C -2.687 173.296 176.094 -0.185 0.000 1.297 445 V CA -0.804 61.491 62.300 -0.009 0.000 0.962 445 V CB 3.389 35.331 31.823 0.199 0.000 1.081 445 V HN 0.454 8.527 8.190 -0.195 0.000 0.432 446 F N 5.363 124.949 119.950 -0.607 0.000 2.618 446 F HA 0.910 nan 4.527 nan 0.000 0.332 446 F C -1.455 174.006 175.800 -0.565 0.000 1.061 446 F CA -2.962 54.721 58.000 -0.529 0.000 0.974 446 F CB 4.755 43.366 39.000 -0.648 0.000 1.310 446 F HN -0.355 7.600 8.300 -0.575 0.000 0.491 447 c N -1.078 117.431 118.600 -0.152 0.000 2.888 447 c HA 0.565 nan 4.570 nan 0.000 0.308 447 c C -0.741 173.355 174.090 0.011 0.000 1.213 447 c CA -0.711 55.460 56.329 -0.263 0.000 1.461 447 c CB 4.261 46.438 42.510 -0.556 0.000 1.934 447 c HN 0.778 9.002 8.230 -0.011 0.000 0.474 448 G N 1.567 110.393 108.800 0.044 0.000 2.353 448 G HA2 0.018 nan 3.960 nan 0.000 0.239 448 G HA3 0.018 nan 3.960 nan 0.000 0.239 448 G C -1.409 173.406 174.900 -0.140 0.000 1.295 448 G CA 1.067 46.141 45.100 -0.044 0.000 0.884 448 G HN 0.130 8.403 8.290 -0.099 -0.043 0.537 449 T N 2.561 117.001 114.554 -0.190 0.000 2.906 449 T HA 0.406 nan 4.350 nan 0.000 0.295 449 T C -0.849 173.811 174.700 -0.067 0.000 1.075 449 T CA -1.538 60.509 62.100 -0.088 0.000 1.005 449 T CB 2.725 71.586 68.868 -0.011 0.000 1.136 449 T HN 0.266 8.304 8.240 -0.337 0.000 0.498 450 S N 3.655 119.348 115.700 -0.012 0.000 2.511 450 S HA 0.287 nan 4.470 nan 0.000 0.214 450 S C 0.524 175.153 174.600 0.050 0.000 0.997 450 S CA 0.001 58.210 58.200 0.014 0.000 0.908 450 S CB 0.664 63.870 63.200 0.009 0.000 0.803 450 S HN 0.367 8.672 8.310 -0.008 0.000 0.504 451 G N 3.132 111.970 108.800 0.064 0.000 2.543 451 G HA2 0.115 nan 3.960 nan 0.000 0.290 451 G HA3 0.115 nan 3.960 nan 0.000 0.290 451 G C -1.304 173.669 174.900 0.122 0.000 1.310 451 G CA -0.615 44.531 45.100 0.077 0.000 1.025 451 G HN -0.526 7.752 8.290 0.054 0.044 0.502 452 T N -1.703 112.899 114.554 0.079 0.000 2.849 452 T HA 0.246 nan 4.350 nan 0.000 0.284 452 T C -0.852 173.924 174.700 0.127 0.000 1.004 452 T CA -0.505 61.597 62.100 0.004 0.000 1.021 452 T CB 0.970 69.815 68.868 -0.038 0.000 1.013 452 T HN -0.140 8.136 8.240 0.061 0.000 0.527 453 Y N -2.678 117.675 120.300 0.088 0.000 2.829 453 Y HA 0.471 nan 4.550 nan 0.000 0.322 453 Y C -1.016 174.969 175.900 0.142 0.000 1.357 453 Y CA -0.969 57.206 58.100 0.125 0.000 1.081 453 Y CB 0.451 39.002 38.460 0.151 0.000 1.339 453 Y HN -0.108 7.868 8.280 -0.505 0.000 0.469 454 G N -0.264 108.800 108.800 0.440 0.000 3.244 454 G HA2 0.151 nan 3.960 nan 0.000 0.197 454 G HA3 0.151 nan 3.960 nan 0.000 0.197 454 G C -1.247 173.872 174.900 0.366 0.000 1.531 454 G CA -0.091 45.193 45.100 0.306 0.000 0.747 454 G HN 0.052 8.673 8.290 0.553 0.000 0.763 455 T N 0.734 115.472 114.554 0.306 0.000 2.853 455 T HA 0.338 nan 4.350 nan 0.000 0.311 455 T C -1.338 173.415 174.700 0.088 0.000 1.307 455 T CA 0.478 62.729 62.100 0.251 0.000 1.019 455 T CB 1.495 70.457 68.868 0.157 0.000 1.264 455 T HN -0.073 8.323 8.240 0.260 0.000 0.497 456 G N 3.902 112.665 108.800 -0.062 0.000 2.325 456 G HA2 0.106 nan 3.960 nan 0.000 0.295 456 G HA3 0.106 nan 3.960 nan 0.000 0.295 456 G C -2.769 171.836 174.900 -0.491 0.000 1.274 456 G CA 0.413 45.147 45.100 -0.610 0.000 0.857 456 G HN 0.194 8.542 8.290 0.097 0.000 0.499 457 S N -0.245 115.020 115.700 -0.724 0.000 2.461 457 S HA 0.122 nan 4.470 nan 0.000 0.245 457 S C -0.940 173.602 174.600 -0.095 0.000 1.039 457 S CA 0.077 58.207 58.200 -0.118 0.000 1.077 457 S CB 0.734 63.918 63.200 -0.027 0.000 1.171 457 S HN -0.197 7.410 8.310 -1.170 0.000 0.433 458 W N 7.556 128.982 121.300 0.210 0.000 2.253 458 W HA 0.292 nan 4.660 nan 0.000 0.348 458 W C -1.623 174.996 176.519 0.166 0.000 0.920 458 W CA -2.257 55.201 57.345 0.189 0.000 1.518 458 W CB -0.206 29.397 29.460 0.239 0.000 1.446 458 W HN -0.111 8.632 8.180 0.939 0.000 0.361 459 P HA 0.231 nan 4.420 nan 0.000 0.328 459 P C -1.236 176.176 177.300 0.187 0.000 1.288 459 P CA -1.053 62.183 63.100 0.227 0.000 0.786 459 P CB 1.468 33.270 31.700 0.170 0.000 1.388 460 D N 0.769 121.263 120.400 0.158 0.000 2.127 460 D HA -0.305 nan 4.640 nan 0.000 0.206 460 D C 1.305 177.679 176.300 0.124 0.000 0.989 460 D CA 2.496 56.580 54.000 0.140 0.000 0.877 460 D CB 0.410 41.294 40.800 0.139 0.000 1.042 460 D HN 0.337 8.800 8.370 0.155 0.000 0.455 461 G N -3.966 104.901 108.800 0.112 0.000 2.181 461 G HA2 -0.258 nan 3.960 nan 0.000 0.152 461 G HA3 -0.258 nan 3.960 nan 0.000 0.152 461 G C -2.035 172.930 174.900 0.108 0.000 1.026 461 G CA -0.132 45.029 45.100 0.100 0.000 0.699 461 G HN -0.119 8.236 8.290 0.108 0.000 0.497 462 A N -0.878 122.009 122.820 0.110 0.000 2.277 462 A HA 0.287 nan 4.320 nan 0.000 0.318 462 A C -1.460 176.170 177.584 0.078 0.000 1.339 462 A CA -1.449 50.667 52.037 0.131 0.000 0.875 462 A CB 1.128 20.231 19.000 0.170 0.000 1.158 462 A HN -0.365 7.849 8.150 0.106 0.000 0.514 463 N N 5.001 123.713 118.700 0.020 0.000 2.438 463 N HA -0.070 nan 4.740 nan 0.000 0.267 463 N C 1.007 176.460 175.510 -0.094 0.000 1.222 463 N CA -0.430 52.489 53.050 -0.218 0.000 0.930 463 N CB 0.270 38.240 38.487 -0.861 0.000 1.083 463 N HN 0.341 8.785 8.380 0.106 0.000 0.476 464 I N 6.051 126.586 120.570 -0.058 0.000 2.567 464 I HA -0.483 nan 4.170 nan 0.000 0.257 464 I C 0.721 176.850 176.117 0.020 0.000 1.184 464 I CA 1.792 63.103 61.300 0.019 0.000 1.451 464 I CB -0.572 37.411 38.000 -0.027 0.000 1.089 464 I HN 0.371 8.533 8.210 -0.081 0.000 0.441 465 N N -0.798 117.852 118.700 -0.084 0.000 2.416 465 N HA -0.257 nan 4.740 nan 0.000 0.177 465 N C 2.015 177.634 175.510 0.181 0.000 1.036 465 N CA 2.313 55.355 53.050 -0.013 0.000 0.901 465 N CB 0.114 38.540 38.487 -0.103 0.000 0.976 465 N HN -0.106 8.438 8.380 -0.213 -0.292 0.444 466 F N -0.827 119.167 119.950 0.074 0.000 2.149 466 F HA -0.156 nan 4.527 nan 0.000 0.294 466 F C 0.921 176.776 175.800 0.091 0.000 1.095 466 F CA -0.018 58.024 58.000 0.070 0.000 1.276 466 F CB 0.140 39.176 39.000 0.060 0.000 1.023 466 F HN -0.533 7.571 8.300 -0.046 0.168 0.480 467 M N -0.191 119.600 119.600 0.318 0.000 2.235 467 M HA -0.079 nan 4.480 nan 0.000 0.336 467 M C -1.822 174.641 176.300 0.272 0.000 1.146 467 M CA -1.932 53.537 55.300 0.283 0.000 1.018 467 M CB -1.399 31.448 32.600 0.410 0.000 1.694 467 M HN -0.519 7.955 8.290 0.305 0.000 0.451 468 P HA 0.186 nan 4.420 nan 0.000 0.274 468 P C -0.600 176.907 177.300 0.344 0.000 1.237 468 P CA 0.189 63.408 63.100 0.198 0.000 0.793 468 P CB 0.555 32.308 31.700 0.089 0.000 0.977 469 I N 0.000 120.743 120.570 0.289 0.000 2.984 469 I HA 0.000 nan 4.170 nan 0.000 0.288 469 I CA 0.000 61.510 61.300 0.349 0.000 1.566 469 I CB 0.000 38.337 38.000 0.561 0.000 1.214 469 I HN 0.000 8.336 8.210 0.209 0.000 0.494