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 3hbq_1_A DATA FIRST_RESID 94 DATA SEQUENCE QDPFAGDPPR HPGLRVNSQK PFNAEPPAEL LAERFLTPNE LFFTRNHLPV DATA SEQUENCE PAVEPSSYRL RVDGPGGGTL SLSLAELRSR FPKHEVTATL QAAGNRRSEM DATA SEQUENCE SRVRPVKGLP WDIGAISTAR WGGARLRDVL LHAGFPEELQ GEWHVCFEGL DATA SEQUENCE DADPGGAPYG ASIPYGRALS PAADVLLAYE MNGTELPRDH GFPVRVVVPG DATA SEQUENCE VVGARSVKWL RRVAVSPDES PSHWQQNDYK GFSPCVDWDT VDYRTAPAIQ DATA SEQUENCE ELPVQSAVTQ PRPGAAVPPG ELTVKGYAWS GGGREVVRVD VSLDGGRTWK DATA SEQUENCE VARLMGDKAP PGRAWAWALW ELTVPVEAGT ELEIVCKAVD SSYNVQPDSV DATA SEQUENCE APIWNLRGVL STAWHRVRVS VQD 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 94 Q HA 0.000 nan 4.340 nan 0.000 0.214 94 Q C 0.000 176.008 176.000 0.013 0.000 1.003 94 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 94 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 95 D N 2.855 123.271 120.400 0.027 0.000 2.389 95 D HA 0.054 4.694 4.640 -0.000 0.000 0.263 95 D C -1.020 175.289 176.300 0.016 0.000 1.255 95 D CA -1.022 53.012 54.000 0.057 0.000 0.914 95 D CB 1.142 41.993 40.800 0.085 0.000 1.116 95 D HN 0.054 nan 8.370 nan 0.000 0.502 96 P HA -0.089 nan 4.420 nan 0.000 0.228 96 P C 0.721 177.770 177.300 -0.419 0.000 1.151 96 P CA 0.712 63.670 63.100 -0.237 0.000 0.770 96 P CB 0.028 31.530 31.700 -0.330 0.000 0.786 97 F N -0.643 119.297 119.950 -0.017 0.000 2.704 97 F HA 0.370 4.897 4.527 0.000 0.000 0.304 97 F C 2.413 178.196 175.800 -0.028 0.000 1.094 97 F CA 0.074 58.061 58.000 -0.021 0.000 1.275 97 F CB -0.649 38.350 39.000 -0.000 0.000 1.073 97 F HN -0.145 nan 8.300 nan 0.000 0.586 98 A N 0.630 123.508 122.820 0.097 0.000 1.971 98 A HA -0.239 4.081 4.320 -0.000 0.000 0.222 98 A C 2.491 180.084 177.584 0.015 0.000 1.182 98 A CA 2.121 54.187 52.037 0.047 0.000 0.649 98 A CB -1.468 17.543 19.000 0.018 0.000 0.818 98 A HN 0.411 nan 8.150 nan 0.000 0.458 99 G N -1.073 107.717 108.800 -0.016 0.000 2.744 99 G HA2 0.118 4.078 3.960 -0.000 0.000 0.211 99 G HA3 0.118 4.078 3.960 -0.000 0.000 0.211 99 G C 0.076 174.953 174.900 -0.039 0.000 1.143 99 G CA 0.391 45.467 45.100 -0.041 0.000 0.788 99 G HN 0.436 nan 8.290 nan 0.000 0.534 100 D N 1.232 121.630 120.400 -0.003 0.000 2.400 100 D HA 0.219 4.859 4.640 -0.000 0.000 0.238 100 D C -1.563 174.702 176.300 -0.058 0.000 1.157 100 D CA -1.053 52.939 54.000 -0.013 0.000 0.889 100 D CB 1.132 41.971 40.800 0.063 0.000 1.199 100 D HN 0.109 nan 8.370 nan 0.000 0.436 101 P HA 0.253 nan 4.420 nan 0.000 0.274 101 P C -2.641 174.568 177.300 -0.152 0.000 1.246 101 P CA -1.123 61.913 63.100 -0.107 0.000 0.795 101 P CB -0.042 31.596 31.700 -0.104 0.000 1.006 102 P HA 0.411 nan 4.420 nan 0.000 0.279 102 P C -0.480 176.722 177.300 -0.164 0.000 1.252 102 P CA -0.309 62.711 63.100 -0.133 0.000 0.811 102 P CB 0.880 32.532 31.700 -0.079 0.000 1.035 103 R N -0.581 119.814 120.500 -0.174 0.000 2.923 103 R HA 0.397 4.737 4.340 -0.000 0.000 0.252 103 R C 0.309 176.626 176.300 0.030 0.000 1.130 103 R CA -0.811 55.221 56.100 -0.113 0.000 1.043 103 R CB 0.091 30.246 30.300 -0.241 0.000 1.205 103 R HN 0.552 nan 8.270 nan 0.000 0.495 104 H N 3.273 122.359 119.070 0.027 0.000 2.848 104 H HA 0.065 4.621 4.556 -0.000 0.000 0.341 104 H C -1.524 173.851 175.328 0.078 0.000 1.060 104 H CA -1.235 54.845 56.048 0.054 0.000 1.444 104 H CB 1.376 31.183 29.762 0.075 0.000 1.446 104 H HN 0.326 nan 8.280 nan 0.000 0.583 105 P HA 0.065 nan 4.420 nan 0.000 0.249 105 P C 0.821 178.107 177.300 -0.022 0.000 1.229 105 P CA 0.560 63.587 63.100 -0.123 0.000 0.788 105 P CB 0.200 31.793 31.700 -0.179 0.000 1.072 106 G N -0.485 108.366 108.800 0.085 0.000 3.192 106 G HA2 0.221 4.181 3.960 -0.000 0.000 0.239 106 G HA3 0.221 4.181 3.960 -0.000 0.000 0.239 106 G C 0.419 175.451 174.900 0.219 0.000 1.084 106 G CA -0.178 45.029 45.100 0.177 0.000 0.784 106 G HN 0.149 nan 8.290 nan 0.000 0.540 107 L N 1.098 122.475 121.223 0.256 0.000 2.473 107 L HA 0.317 4.657 4.340 -0.000 0.000 0.268 107 L C 0.257 177.218 176.870 0.151 0.000 1.215 107 L CA -0.559 54.417 54.840 0.227 0.000 0.823 107 L CB 0.567 42.807 42.059 0.301 0.000 1.099 107 L HN -0.013 nan 8.230 nan 0.000 0.483 108 R N 2.217 122.793 120.500 0.126 0.000 2.235 108 R HA 0.308 4.648 4.340 -0.000 0.000 0.338 108 R C -0.919 175.388 176.300 0.011 0.000 1.087 108 R CA -0.480 55.663 56.100 0.073 0.000 0.948 108 R CB 0.274 30.625 30.300 0.085 0.000 1.099 108 R HN 0.247 nan 8.270 nan 0.000 0.483 109 V N 4.172 124.058 119.914 -0.048 0.000 2.407 109 V HA 0.075 4.195 4.120 -0.000 0.000 0.278 109 V C 1.089 177.058 176.094 -0.209 0.000 1.037 109 V CA -0.568 61.617 62.300 -0.191 0.000 0.900 109 V CB 1.246 32.952 31.823 -0.194 0.000 0.983 109 V HN 0.722 nan 8.190 nan 0.000 0.459 110 N N 1.998 120.508 118.700 -0.316 0.000 2.322 110 N HA 0.082 4.822 4.740 -0.000 0.000 0.181 110 N C 0.315 175.642 175.510 -0.305 0.000 1.088 110 N CA 0.169 53.032 53.050 -0.312 0.000 0.885 110 N CB 0.716 38.946 38.487 -0.428 0.000 1.013 110 N HN 0.535 nan 8.380 nan 0.000 0.472 111 S N -0.761 114.726 115.700 -0.355 0.000 2.649 111 S HA 0.247 4.717 4.470 -0.000 0.000 0.274 111 S C -0.149 174.261 174.600 -0.318 0.000 1.176 111 S CA -0.620 57.405 58.200 -0.292 0.000 0.988 111 S CB 1.642 64.681 63.200 -0.268 0.000 1.071 111 S HN 0.045 nan 8.310 nan 0.000 0.478 112 Q N 3.705 123.382 119.800 -0.204 0.000 2.062 112 Q HA 0.267 4.607 4.340 -0.000 0.000 0.196 112 Q C -0.358 175.551 176.000 -0.153 0.000 0.967 112 Q CA 1.604 57.351 55.803 -0.094 0.000 0.832 112 Q CB 0.208 28.921 28.738 -0.042 0.000 0.899 112 Q HN 0.697 nan 8.270 nan 0.000 0.442 113 K N 1.844 122.042 120.400 -0.337 0.000 2.572 113 K HA 0.372 4.692 4.320 -0.000 0.000 0.244 113 K C -2.507 173.773 176.600 -0.533 0.000 0.965 113 K CA -1.784 54.037 56.287 -0.776 0.000 0.943 113 K CB 1.881 33.797 32.500 -0.974 0.000 1.154 113 K HN 0.180 nan 8.250 nan 0.000 0.447 114 P HA 0.077 nan 4.420 nan 0.000 0.274 114 P C -0.630 176.632 177.300 -0.064 0.000 1.237 114 P CA -0.480 62.525 63.100 -0.157 0.000 0.793 114 P CB 0.568 32.358 31.700 0.149 0.000 0.977 115 F N 2.194 122.101 119.950 -0.070 0.000 2.467 115 F HA 0.219 4.746 4.527 0.001 0.000 0.362 115 F C 0.316 176.124 175.800 0.012 0.000 1.090 115 F CA 0.311 58.286 58.000 -0.040 0.000 1.202 115 F CB 0.115 39.117 39.000 0.003 0.000 1.113 115 F HN 0.195 nan 8.300 nan 0.000 0.541 116 N N 5.495 123.850 118.700 -0.575 0.000 2.571 116 N HA 0.597 5.337 4.740 -0.000 0.000 0.286 116 N C -1.568 173.706 175.510 -0.394 0.000 1.138 116 N CA -0.496 52.391 53.050 -0.271 0.000 0.859 116 N CB 1.722 40.081 38.487 -0.213 0.000 1.414 116 N HN 0.630 nan 8.380 nan 0.000 0.529 117 A N 1.782 124.569 122.820 -0.055 0.000 2.594 117 A HA 0.737 5.057 4.320 -0.000 0.000 0.291 117 A C -1.278 176.567 177.584 0.435 0.000 1.105 117 A CA -0.718 51.351 52.037 0.052 0.000 0.694 117 A CB 1.938 20.853 19.000 -0.141 0.000 1.291 117 A HN 0.634 nan 8.150 nan 0.000 0.410 118 E N 0.586 121.000 120.200 0.357 0.000 2.343 118 E HA 0.665 5.015 4.350 -0.000 0.000 0.270 118 E C -2.987 173.740 176.600 0.211 0.000 0.895 118 E CA -2.290 54.307 56.400 0.327 0.000 0.767 118 E CB 2.300 32.181 29.700 0.302 0.000 1.248 118 E HN 0.345 nan 8.360 nan 0.000 0.440 119 P HA 0.134 nan 4.420 nan 0.000 0.269 119 P C -2.463 174.897 177.300 0.101 0.000 1.215 119 P CA -1.231 61.937 63.100 0.113 0.000 0.780 119 P CB -0.474 31.262 31.700 0.061 0.000 0.898 120 P HA 0.072 nan 4.420 nan 0.000 0.271 120 P C 0.656 177.998 177.300 0.069 0.000 1.216 120 P CA 0.057 63.208 63.100 0.084 0.000 0.776 120 P CB 0.225 31.974 31.700 0.082 0.000 0.881 121 A N 2.779 125.642 122.820 0.071 0.000 2.019 121 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 121 A C 1.740 179.349 177.584 0.042 0.000 1.164 121 A CA 1.534 53.612 52.037 0.068 0.000 0.644 121 A CB -1.016 18.033 19.000 0.082 0.000 0.805 121 A HN 0.509 nan 8.150 nan 0.000 0.449 122 E N -0.341 119.881 120.200 0.036 0.000 2.265 122 E HA -0.056 4.294 4.350 -0.000 0.000 0.196 122 E C 1.546 178.151 176.600 0.007 0.000 0.996 122 E CA 0.829 57.239 56.400 0.018 0.000 0.832 122 E CB -0.126 29.588 29.700 0.024 0.000 0.756 122 E HN 0.656 nan 8.360 nan 0.000 0.491 123 L N -0.734 120.499 121.223 0.017 0.000 2.672 123 L HA 0.153 4.493 4.340 -0.000 0.000 0.236 123 L C 1.634 178.508 176.870 0.006 0.000 1.092 123 L CA -0.098 54.748 54.840 0.010 0.000 0.887 123 L CB 0.059 42.129 42.059 0.019 0.000 1.168 123 L HN 0.166 nan 8.230 nan 0.000 0.502 124 L N 1.284 122.518 121.223 0.018 0.000 2.079 124 L HA -0.114 4.225 4.340 -0.000 0.000 0.210 124 L C 1.868 178.738 176.870 0.001 0.000 1.081 124 L CA 2.216 57.079 54.840 0.037 0.000 0.752 124 L CB -0.353 41.744 42.059 0.064 0.000 0.896 124 L HN 0.148 nan 8.230 nan 0.000 0.433 125 A N -1.742 121.026 122.820 -0.086 0.000 2.594 125 A HA 0.164 4.484 4.320 -0.000 0.000 0.287 125 A C 1.817 179.302 177.584 -0.164 0.000 1.227 125 A CA 0.145 52.042 52.037 -0.234 0.000 0.952 125 A CB -0.518 18.294 19.000 -0.314 0.000 1.161 125 A HN 0.517 nan 8.150 nan 0.000 0.524 126 E N 0.168 120.322 120.200 -0.077 0.000 2.299 126 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 126 E C 0.388 176.976 176.600 -0.020 0.000 0.998 126 E CA 0.497 56.866 56.400 -0.051 0.000 0.851 126 E CB 0.177 29.861 29.700 -0.027 0.000 0.795 126 E HN 0.558 nan 8.360 nan 0.000 0.492 127 R N -1.256 119.250 120.500 0.010 0.000 2.837 127 R HA 0.239 4.579 4.340 -0.000 0.000 0.271 127 R C 0.013 176.404 176.300 0.152 0.000 0.993 127 R CA -0.548 55.597 56.100 0.075 0.000 0.931 127 R CB 0.648 30.991 30.300 0.071 0.000 1.206 127 R HN -0.021 nan 8.270 nan 0.000 0.474 128 F N 1.173 121.164 119.950 0.068 0.000 2.187 128 F HA 0.249 4.776 4.527 -0.000 0.000 0.295 128 F C 0.040 176.024 175.800 0.307 0.000 1.091 128 F CA 0.944 59.055 58.000 0.185 0.000 1.308 128 F CB 0.406 39.478 39.000 0.121 0.000 1.030 128 F HN 0.170 nan 8.300 nan 0.000 0.487 129 L N 1.681 122.964 121.223 0.100 0.000 2.264 129 L HA 0.276 4.616 4.340 -0.000 0.000 0.289 129 L C 0.007 176.860 176.870 -0.029 0.000 1.044 129 L CA -0.615 54.179 54.840 -0.076 0.000 0.807 129 L CB 1.282 43.329 42.059 -0.020 0.000 1.192 129 L HN -0.137 nan 8.230 nan 0.000 0.425 130 T N 5.059 119.561 114.554 -0.088 0.000 2.779 130 T HA 0.182 4.532 4.350 -0.000 0.000 0.296 130 T C -2.244 172.439 174.700 -0.028 0.000 0.938 130 T CA -0.988 61.079 62.100 -0.054 0.000 1.119 130 T CB 0.461 69.220 68.868 -0.181 0.000 0.891 130 T HN 0.359 nan 8.240 nan 0.000 0.526 131 P HA 0.025 nan 4.420 nan 0.000 0.264 131 P C 0.662 177.954 177.300 -0.014 0.000 1.183 131 P CA -0.177 62.901 63.100 -0.037 0.000 0.763 131 P CB 0.639 32.311 31.700 -0.046 0.000 0.807 132 N N 2.549 121.219 118.700 -0.051 0.000 2.096 132 N HA -0.219 4.521 4.740 -0.000 0.000 0.195 132 N C 1.437 176.983 175.510 0.059 0.000 1.017 132 N CA 1.601 54.617 53.050 -0.056 0.000 0.870 132 N CB -0.448 37.989 38.487 -0.082 0.000 1.024 132 N HN 0.619 nan 8.380 nan 0.000 0.434 133 E N 0.270 120.489 120.200 0.031 0.000 2.502 133 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 133 E C 1.368 178.000 176.600 0.053 0.000 1.062 133 E CA 0.412 56.847 56.400 0.058 0.000 0.867 133 E CB -0.141 29.573 29.700 0.024 0.000 0.888 133 E HN 0.416 nan 8.360 nan 0.000 0.510 134 L N -0.485 120.765 121.223 0.046 0.000 2.749 134 L HA 0.271 4.611 4.340 -0.000 0.000 0.242 134 L C 0.581 177.546 176.870 0.159 0.000 1.103 134 L CA -0.514 54.359 54.840 0.054 0.000 0.906 134 L CB 0.190 42.225 42.059 -0.041 0.000 1.228 134 L HN -0.051 nan 8.230 nan 0.000 0.517 135 F N 2.564 122.517 119.950 0.004 0.000 2.623 135 F HA -0.061 4.467 4.527 0.001 0.000 0.383 135 F C 0.681 176.569 175.800 0.147 0.000 1.077 135 F CA -1.010 56.967 58.000 -0.039 0.000 1.268 135 F CB 0.204 39.002 39.000 -0.338 0.000 1.053 135 F HN -0.033 nan 8.300 nan 0.000 0.571 136 F N 4.369 124.330 119.950 0.018 0.000 2.602 136 F HA 0.356 4.884 4.527 0.001 0.000 0.367 136 F C -0.217 175.848 175.800 0.441 0.000 1.126 136 F CA -0.488 57.602 58.000 0.151 0.000 1.321 136 F CB -0.123 38.800 39.000 -0.128 0.000 1.094 136 F HN 0.379 nan 8.300 nan 0.000 0.594 137 T N 5.713 120.424 114.554 0.261 0.000 2.861 137 T HA 0.464 4.814 4.350 -0.000 0.000 0.287 137 T C -0.908 173.905 174.700 0.189 0.000 1.003 137 T CA -0.813 61.366 62.100 0.131 0.000 0.977 137 T CB 1.258 70.292 68.868 0.277 0.000 0.996 137 T HN 0.656 nan 8.240 nan 0.000 0.448 138 R N 3.228 123.750 120.500 0.036 0.000 2.539 138 R HA 0.378 4.718 4.340 -0.000 0.000 0.295 138 R C -1.657 174.675 176.300 0.053 0.000 1.138 138 R CA -0.548 55.639 56.100 0.147 0.000 0.936 138 R CB 0.750 31.160 30.300 0.182 0.000 1.182 138 R HN 0.596 nan 8.270 nan 0.000 0.459 139 N N 1.900 120.649 118.700 0.083 0.000 2.284 139 N HA 0.268 5.008 4.740 -0.000 0.000 0.300 139 N C 0.124 175.630 175.510 -0.006 0.000 1.047 139 N CA -0.537 52.587 53.050 0.122 0.000 0.821 139 N CB 1.551 40.186 38.487 0.246 0.000 1.337 139 N HN 0.513 nan 8.380 nan 0.000 0.482 140 H N 0.162 119.238 119.070 0.009 0.000 2.497 140 H HA 0.373 4.929 4.556 -0.000 0.000 0.282 140 H C 0.048 175.449 175.328 0.122 0.000 1.003 140 H CA 0.790 56.853 56.048 0.024 0.000 1.307 140 H CB 0.599 30.257 29.762 -0.174 0.000 1.437 140 H HN 0.322 nan 8.280 nan 0.000 0.544 141 L N -1.036 120.318 121.223 0.218 0.000 2.301 141 L HA 0.442 4.782 4.340 -0.000 0.000 0.249 141 L C -2.427 174.523 176.870 0.133 0.000 1.069 141 L CA -2.654 52.291 54.840 0.174 0.000 0.865 141 L CB 1.734 43.827 42.059 0.056 0.000 1.467 141 L HN -0.220 nan 8.230 nan 0.000 0.419 142 P HA 0.029 nan 4.420 nan 0.000 0.267 142 P C -0.807 176.294 177.300 -0.331 0.000 1.200 142 P CA -0.180 62.728 63.100 -0.320 0.000 0.772 142 P CB 0.384 31.693 31.700 -0.651 0.000 0.855 143 V N 5.742 125.474 119.914 -0.304 0.000 2.446 143 V HA 0.107 4.227 4.120 -0.000 0.000 0.276 143 V C -1.804 173.946 176.094 -0.573 0.000 1.030 143 V CA -1.188 60.761 62.300 -0.585 0.000 1.033 143 V CB -0.033 31.646 31.823 -0.239 0.000 0.993 143 V HN 0.573 nan 8.190 nan 0.000 0.477 144 P HA 0.204 nan 4.420 nan 0.000 0.268 144 P C -0.472 176.678 177.300 -0.250 0.000 1.205 144 P CA -0.012 62.808 63.100 -0.466 0.000 0.771 144 P CB 0.561 31.977 31.700 -0.473 0.000 0.858 145 A N 3.458 126.205 122.820 -0.122 0.000 2.279 145 A HA 0.453 4.773 4.320 -0.000 0.000 0.306 145 A C -0.274 177.337 177.584 0.046 0.000 1.300 145 A CA -0.344 51.675 52.037 -0.029 0.000 0.925 145 A CB -0.142 18.837 19.000 -0.035 0.000 1.152 145 A HN 0.362 nan 8.150 nan 0.000 0.544 146 V N 2.867 122.869 119.914 0.146 0.000 2.459 146 V HA 0.335 4.455 4.120 -0.000 0.000 0.295 146 V C 0.160 176.392 176.094 0.229 0.000 1.029 146 V CA -0.790 61.625 62.300 0.192 0.000 0.874 146 V CB 1.652 33.592 31.823 0.195 0.000 0.985 146 V HN 0.872 nan 8.190 nan 0.000 0.438 147 E N 6.502 126.802 120.200 0.167 0.000 2.044 147 E HA 0.290 4.640 4.350 -0.000 0.000 0.282 147 E C -1.902 174.797 176.600 0.166 0.000 1.031 147 E CA -2.182 54.309 56.400 0.153 0.000 0.824 147 E CB 1.956 31.717 29.700 0.102 0.000 1.076 147 E HN 0.362 nan 8.360 nan 0.000 0.395 148 P HA -0.223 nan 4.420 nan 0.000 0.213 148 P C 1.339 178.714 177.300 0.125 0.000 1.176 148 P CA 1.972 65.145 63.100 0.121 0.000 0.919 148 P CB 0.054 31.860 31.700 0.177 0.000 0.791 149 S N -0.324 115.439 115.700 0.105 0.000 2.382 149 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 149 S C 1.999 176.653 174.600 0.090 0.000 1.027 149 S CA 1.675 59.926 58.200 0.085 0.000 0.991 149 S CB -1.704 61.531 63.200 0.059 0.000 0.823 149 S HN 0.313 nan 8.310 nan 0.000 0.469 150 S N -0.213 115.544 115.700 0.095 0.000 2.603 150 S HA 0.129 4.599 4.470 -0.000 0.000 0.220 150 S C 0.346 175.000 174.600 0.089 0.000 0.967 150 S CA -0.695 57.549 58.200 0.073 0.000 0.920 150 S CB -0.965 62.270 63.200 0.057 0.000 0.773 150 S HN 0.579 nan 8.310 nan 0.000 0.529 151 Y N 3.445 123.750 120.300 0.009 0.000 2.721 151 Y HA 0.268 4.817 4.550 -0.002 0.000 0.329 151 Y C 0.279 176.181 175.900 0.003 0.000 1.211 151 Y CA -0.039 58.060 58.100 -0.001 0.000 1.512 151 Y CB 0.345 38.785 38.460 -0.034 0.000 1.249 151 Y HN 0.072 nan 8.280 nan 0.000 0.549 152 R N 6.947 126.996 120.500 -0.751 0.000 2.514 152 R HA 0.294 4.634 4.340 -0.000 0.000 0.296 152 R C -1.787 174.028 176.300 -0.809 0.000 1.012 152 R CA -1.214 54.516 56.100 -0.617 0.000 0.897 152 R CB 1.688 31.838 30.300 -0.249 0.000 1.184 152 R HN 0.763 nan 8.270 nan 0.000 0.440 153 L N 2.794 123.643 121.223 -0.623 0.000 2.290 153 L HA 0.427 4.767 4.340 -0.000 0.000 0.284 153 L C 0.139 176.956 176.870 -0.088 0.000 1.078 153 L CA -0.001 54.678 54.840 -0.268 0.000 0.815 153 L CB 0.680 42.735 42.059 -0.007 0.000 1.162 153 L HN 0.468 nan 8.230 nan 0.000 0.435 154 R N 4.113 124.594 120.500 -0.032 0.000 2.312 154 R HA 0.693 5.033 4.340 -0.000 0.000 0.311 154 R C -1.699 174.641 176.300 0.066 0.000 1.004 154 R CA -0.527 55.583 56.100 0.016 0.000 0.902 154 R CB 1.007 31.317 30.300 0.016 0.000 1.073 154 R HN 0.602 nan 8.270 nan 0.000 0.457 155 V N 4.616 124.580 119.914 0.083 0.000 2.532 155 V HA 0.177 4.297 4.120 -0.000 0.000 0.294 155 V C -0.922 175.255 176.094 0.139 0.000 1.036 155 V CA -0.982 61.393 62.300 0.126 0.000 0.876 155 V CB 1.783 33.694 31.823 0.148 0.000 1.012 155 V HN 0.819 nan 8.190 nan 0.000 0.432 156 D N 4.163 124.664 120.400 0.167 0.000 2.316 156 D HA 0.357 4.997 4.640 -0.000 0.000 0.245 156 D C 0.613 177.052 176.300 0.231 0.000 1.171 156 D CA 0.175 54.270 54.000 0.157 0.000 0.856 156 D CB 2.518 43.407 40.800 0.148 0.000 1.090 156 D HN 0.678 nan 8.370 nan 0.000 0.476 157 G N 2.681 111.504 108.800 0.038 0.000 2.667 157 G HA2 0.113 4.073 3.960 -0.000 0.000 0.250 157 G HA3 0.113 4.073 3.960 -0.000 0.000 0.250 157 G C -1.423 173.235 174.900 -0.405 0.000 1.212 157 G CA -0.889 44.050 45.100 -0.268 0.000 0.874 157 G HN 0.227 nan 8.290 nan 0.000 0.561 158 P HA -0.083 nan 4.420 nan 0.000 0.217 158 P C 1.646 178.832 177.300 -0.191 0.000 1.148 158 P CA 1.708 64.457 63.100 -0.585 0.000 0.828 158 P CB 0.138 31.468 31.700 -0.618 0.000 0.783 159 G N -2.168 106.524 108.800 -0.180 0.000 3.141 159 G HA2 0.298 4.258 3.960 -0.000 0.000 0.218 159 G HA3 0.298 4.258 3.960 -0.000 0.000 0.218 159 G C 1.166 176.044 174.900 -0.037 0.000 1.170 159 G CA 0.382 45.428 45.100 -0.090 0.000 0.769 159 G HN 0.401 nan 8.290 nan 0.000 0.546 160 G N -0.825 107.967 108.800 -0.014 0.000 2.234 160 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.260 160 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.260 160 G C 0.915 175.819 174.900 0.006 0.000 0.987 160 G CA 0.379 45.491 45.100 0.019 0.000 0.625 160 G HN 1.169 nan 8.290 nan 0.000 0.532 161 G N -0.456 108.331 108.800 -0.021 0.000 2.554 161 G HA2 0.497 4.457 3.960 -0.000 0.000 0.238 161 G HA3 0.497 4.457 3.960 -0.000 0.000 0.238 161 G C 0.058 174.952 174.900 -0.010 0.000 1.259 161 G CA 1.067 46.154 45.100 -0.022 0.000 0.843 161 G HN 0.861 nan 8.290 nan 0.000 0.582 162 T N 1.028 115.583 114.554 0.001 0.000 2.797 162 T HA 0.484 4.834 4.350 -0.000 0.000 0.279 162 T C -0.256 174.451 174.700 0.012 0.000 0.991 162 T CA -0.586 61.524 62.100 0.017 0.000 0.979 162 T CB 0.872 69.754 68.868 0.024 0.000 0.943 162 T HN 0.506 nan 8.240 nan 0.000 0.444 163 L N 4.215 125.453 121.223 0.025 0.000 2.352 163 L HA 0.881 5.221 4.340 -0.000 0.000 0.269 163 L C -0.464 176.435 176.870 0.048 0.000 1.034 163 L CA -0.059 54.800 54.840 0.032 0.000 0.806 163 L CB 2.065 44.146 42.059 0.036 0.000 1.244 163 L HN 0.611 nan 8.230 nan 0.000 0.447 164 S N 3.951 119.679 115.700 0.048 0.000 2.706 164 S HA 0.529 4.999 4.470 -0.000 0.000 0.270 164 S C -1.400 173.219 174.600 0.032 0.000 1.163 164 S CA -0.713 57.501 58.200 0.023 0.000 1.042 164 S CB 0.356 63.554 63.200 -0.003 0.000 1.079 164 S HN 0.672 nan 8.310 nan 0.000 0.474 165 L N 4.349 125.593 121.223 0.034 0.000 2.307 165 L HA 0.572 4.912 4.340 -0.000 0.000 0.284 165 L C 0.804 177.683 176.870 0.016 0.000 1.023 165 L CA -0.659 54.223 54.840 0.071 0.000 0.810 165 L CB 2.071 44.229 42.059 0.165 0.000 1.231 165 L HN 0.863 nan 8.230 nan 0.000 0.423 166 S N 2.272 117.993 115.700 0.036 0.000 2.632 166 S HA 0.148 4.618 4.470 -0.000 0.000 0.267 166 S C 0.795 175.467 174.600 0.120 0.000 1.276 166 S CA -0.647 57.582 58.200 0.047 0.000 0.998 166 S CB 1.306 64.527 63.200 0.035 0.000 0.953 166 S HN 0.576 nan 8.310 nan 0.000 0.547 167 L N 1.819 123.157 121.223 0.192 0.000 2.083 167 L HA 0.100 4.440 4.340 -0.000 0.000 0.209 167 L C 2.554 179.409 176.870 -0.024 0.000 1.083 167 L CA 2.385 57.292 54.840 0.112 0.000 0.752 167 L CB -1.575 40.515 42.059 0.051 0.000 0.899 167 L HN 0.933 nan 8.230 nan 0.000 0.433 168 A N -0.879 121.932 122.820 -0.016 0.000 1.933 168 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 168 A C 2.350 179.898 177.584 -0.059 0.000 1.175 168 A CA 1.782 53.786 52.037 -0.054 0.000 0.628 168 A CB -0.629 18.353 19.000 -0.030 0.000 0.814 168 A HN 0.652 nan 8.150 nan 0.000 0.444 169 E N -0.808 119.379 120.200 -0.021 0.000 2.112 169 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 169 E C 1.797 178.390 176.600 -0.012 0.000 0.979 169 E CA 0.678 57.056 56.400 -0.036 0.000 0.814 169 E CB -0.132 29.563 29.700 -0.008 0.000 0.762 169 E HN 0.392 nan 8.360 nan 0.000 0.460 170 L N 1.364 122.647 121.223 0.100 0.000 2.191 170 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 170 L C 2.101 179.092 176.870 0.202 0.000 1.103 170 L CA 1.525 56.532 54.840 0.277 0.000 0.769 170 L CB -0.140 42.057 42.059 0.230 0.000 0.908 170 L HN 0.034 nan 8.230 nan 0.000 0.438 171 R N -1.562 118.890 120.500 -0.080 0.000 2.200 171 R HA 0.031 4.371 4.340 -0.000 0.000 0.208 171 R C 2.030 178.311 176.300 -0.031 0.000 1.033 171 R CA 1.128 57.111 56.100 -0.194 0.000 1.000 171 R CB 0.002 30.088 30.300 -0.356 0.000 0.906 171 R HN 0.595 nan 8.270 nan 0.000 0.462 172 S N -0.584 115.077 115.700 -0.065 0.000 2.665 172 S HA 0.119 4.589 4.470 -0.000 0.000 0.240 172 S C 1.804 176.298 174.600 -0.178 0.000 1.081 172 S CA -0.507 57.640 58.200 -0.088 0.000 0.887 172 S CB 0.115 63.263 63.200 -0.088 0.000 0.805 172 S HN 0.066 nan 8.310 nan 0.000 0.486 173 R N 0.297 120.590 120.500 -0.344 0.000 2.117 173 R HA 0.055 4.395 4.340 -0.000 0.000 0.243 173 R C -0.542 175.298 176.300 -0.765 0.000 1.143 173 R CA 1.192 56.864 56.100 -0.714 0.000 0.968 173 R CB -0.213 29.354 30.300 -1.223 0.000 0.863 173 R HN 0.414 nan 8.270 nan 0.000 0.444 174 F N 0.478 120.415 119.950 -0.022 0.000 2.458 174 F HA 0.350 4.878 4.527 0.002 0.000 0.336 174 F C -1.981 173.848 175.800 0.048 0.000 1.114 174 F CA -3.532 54.473 58.000 0.010 0.000 0.987 174 F CB 0.817 39.838 39.000 0.035 0.000 1.130 174 F HN -0.232 nan 8.300 nan 0.000 0.458 175 P HA 0.031 nan 4.420 nan 0.000 0.266 175 P C -0.492 176.923 177.300 0.193 0.000 1.215 175 P CA -0.398 62.796 63.100 0.156 0.000 0.763 175 P CB 0.483 32.249 31.700 0.110 0.000 0.806 176 K N 3.169 123.685 120.400 0.194 0.000 2.451 176 K HA 0.018 4.337 4.320 -0.000 0.000 0.280 176 K C -0.372 176.333 176.600 0.176 0.000 1.020 176 K CA 0.114 56.514 56.287 0.188 0.000 1.008 176 K CB 0.080 32.695 32.500 0.192 0.000 0.917 176 K HN 0.549 nan 8.250 nan 0.000 0.478 177 H N 2.217 121.292 119.070 0.009 0.000 2.637 177 H HA 0.338 4.894 4.556 -0.001 0.000 0.363 177 H C -1.384 173.934 175.328 -0.018 0.000 1.131 177 H CA -0.665 55.386 56.048 0.005 0.000 1.183 177 H CB 1.324 31.089 29.762 0.004 0.000 1.637 177 H HN 0.671 nan 8.280 nan 0.000 0.531 178 E N 3.050 122.961 120.200 -0.483 0.000 2.195 178 E HA 0.576 4.926 4.350 -0.000 0.000 0.271 178 E C -1.119 175.218 176.600 -0.437 0.000 0.923 178 E CA -1.187 55.004 56.400 -0.347 0.000 0.790 178 E CB 2.740 32.347 29.700 -0.155 0.000 1.155 178 E HN 0.274 nan 8.360 nan 0.000 0.402 179 V N 1.951 121.754 119.914 -0.185 0.000 2.711 179 V HA 0.232 4.352 4.120 -0.000 0.000 0.304 179 V C -0.610 175.547 176.094 0.106 0.000 1.097 179 V CA -0.841 61.435 62.300 -0.040 0.000 0.906 179 V CB 2.275 34.059 31.823 -0.065 0.000 1.015 179 V HN 0.693 nan 8.190 nan 0.000 0.427 180 T N 4.403 119.054 114.554 0.162 0.000 2.733 180 T HA 0.757 5.107 4.350 -0.000 0.000 0.294 180 T C -0.024 174.829 174.700 0.255 0.000 0.956 180 T CA -0.096 62.092 62.100 0.146 0.000 0.987 180 T CB 1.153 70.120 68.868 0.166 0.000 0.920 180 T HN 1.036 nan 8.240 nan 0.000 0.470 181 A N 3.066 126.036 122.820 0.250 0.000 2.486 181 A HA 0.718 5.038 4.320 -0.000 0.000 0.300 181 A C -0.011 177.658 177.584 0.142 0.000 1.048 181 A CA -0.860 51.349 52.037 0.287 0.000 0.696 181 A CB 1.333 20.463 19.000 0.216 0.000 1.278 181 A HN 0.592 nan 8.150 nan 0.000 0.405 182 T N 2.927 117.447 114.554 -0.056 0.000 2.806 182 T HA 0.510 4.860 4.350 -0.000 0.000 0.290 182 T C -0.103 174.357 174.700 -0.399 0.000 0.966 182 T CA 0.041 61.850 62.100 -0.484 0.000 1.060 182 T CB 0.133 68.430 68.868 -0.952 0.000 0.927 182 T HN 0.422 nan 8.240 nan 0.000 0.485 183 L N 3.534 124.593 121.223 -0.273 0.000 2.309 183 L HA 0.551 4.891 4.340 -0.000 0.000 0.282 183 L C 0.149 176.832 176.870 -0.311 0.000 1.036 183 L CA -0.684 54.057 54.840 -0.164 0.000 0.806 183 L CB 1.528 43.667 42.059 0.133 0.000 1.220 183 L HN 0.590 nan 8.230 nan 0.000 0.429 184 Q N 2.547 122.111 119.800 -0.393 0.000 2.304 184 Q HA 0.619 4.959 4.340 -0.000 0.000 0.270 184 Q C -0.980 174.800 176.000 -0.366 0.000 1.035 184 Q CA -0.673 54.802 55.803 -0.546 0.000 0.781 184 Q CB 2.276 30.636 28.738 -0.631 0.000 1.261 184 Q HN 0.761 nan 8.270 nan 0.000 0.444 185 A N 2.687 125.154 122.820 -0.588 0.000 2.462 185 A HA 0.446 4.766 4.320 -0.000 0.000 0.243 185 A C 1.136 178.602 177.584 -0.196 0.000 1.076 185 A CA 0.587 52.394 52.037 -0.384 0.000 0.773 185 A CB 0.322 18.825 19.000 -0.829 0.000 1.010 185 A HN 1.081 nan 8.150 nan 0.000 0.493 186 A N 2.439 125.267 122.820 0.013 0.000 1.958 186 A HA 0.008 4.328 4.320 -0.000 0.000 0.221 186 A C 1.794 179.445 177.584 0.111 0.000 1.178 186 A CA 2.140 54.261 52.037 0.139 0.000 0.642 186 A CB -0.749 18.493 19.000 0.403 0.000 0.816 186 A HN 1.622 nan 8.150 nan 0.000 0.453 187 G N -0.764 108.103 108.800 0.112 0.000 3.609 187 G HA2 0.261 4.220 3.960 -0.000 0.000 0.280 187 G HA3 0.261 4.220 3.960 -0.000 0.000 0.280 187 G C 0.156 175.101 174.900 0.075 0.000 1.155 187 G CA -0.131 45.075 45.100 0.176 0.000 0.876 187 G HN 0.410 nan 8.290 nan 0.000 0.535 188 N N 1.251 119.855 118.700 -0.160 0.000 2.407 188 N HA -0.001 4.739 4.740 -0.000 0.000 0.250 188 N C 1.178 176.700 175.510 0.020 0.000 1.236 188 N CA 0.224 53.153 53.050 -0.201 0.000 0.879 188 N CB 0.096 38.426 38.487 -0.262 0.000 1.088 188 N HN 0.351 nan 8.380 nan 0.000 0.450 189 R N 0.029 120.579 120.500 0.083 0.000 3.878 189 R HA -0.254 4.086 4.340 -0.000 0.000 0.330 189 R C 1.154 177.537 176.300 0.137 0.000 1.186 189 R CA 0.973 57.134 56.100 0.102 0.000 0.885 189 R CB -1.370 28.969 30.300 0.066 0.000 1.377 189 R HN 0.683 nan 8.270 nan 0.000 0.523 190 R N 0.653 121.267 120.500 0.190 0.000 2.096 190 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 190 R C 1.693 178.081 176.300 0.148 0.000 1.127 190 R CA 1.999 58.201 56.100 0.170 0.000 0.968 190 R CB -0.119 30.312 30.300 0.219 0.000 0.861 190 R HN 0.248 nan 8.270 nan 0.000 0.440 191 S N 0.805 116.596 115.700 0.152 0.000 2.378 191 S HA -0.235 4.235 4.470 -0.000 0.000 0.229 191 S C 1.574 176.257 174.600 0.139 0.000 1.052 191 S CA 2.044 60.322 58.200 0.131 0.000 1.084 191 S CB -0.242 63.034 63.200 0.127 0.000 0.950 191 S HN 0.486 nan 8.310 nan 0.000 0.440 192 E N 0.140 120.429 120.200 0.148 0.000 2.153 192 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 192 E C 2.051 178.754 176.600 0.171 0.000 0.988 192 E CA 0.908 57.402 56.400 0.157 0.000 0.811 192 E CB -0.128 29.673 29.700 0.168 0.000 0.746 192 E HN 0.465 nan 8.360 nan 0.000 0.466 193 M N -0.105 119.599 119.600 0.173 0.000 2.123 193 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 193 M C 2.109 178.600 176.300 0.318 0.000 1.069 193 M CA 1.193 56.630 55.300 0.230 0.000 1.133 193 M CB 0.193 32.859 32.600 0.111 0.000 1.356 193 M HN 0.004 nan 8.290 nan 0.000 0.415 194 S N 0.022 115.865 115.700 0.238 0.000 2.382 194 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 194 S C 1.717 176.432 174.600 0.193 0.000 1.027 194 S CA 1.103 59.448 58.200 0.241 0.000 0.991 194 S CB -0.432 62.869 63.200 0.168 0.000 0.823 194 S HN 0.442 nan 8.310 nan 0.000 0.469 195 R N 0.336 120.931 120.500 0.158 0.000 2.154 195 R HA -0.103 4.236 4.340 -0.000 0.000 0.248 195 R C 2.090 178.456 176.300 0.110 0.000 1.155 195 R CA 1.265 57.437 56.100 0.121 0.000 0.979 195 R CB -0.446 29.919 30.300 0.109 0.000 0.869 195 R HN 0.254 nan 8.270 nan 0.000 0.452 196 V N -0.451 119.550 119.914 0.145 0.000 2.346 196 V HA -0.057 4.063 4.120 -0.000 0.000 0.244 196 V C 0.875 176.958 176.094 -0.018 0.000 1.037 196 V CA 1.154 63.497 62.300 0.070 0.000 1.029 196 V CB -0.137 31.745 31.823 0.098 0.000 0.663 196 V HN 0.224 nan 8.190 nan 0.000 0.454 197 R N -0.542 119.997 120.500 0.064 0.000 2.566 197 R HA 0.337 4.677 4.340 -0.000 0.000 0.271 197 R C -3.053 173.458 176.300 0.351 0.000 1.071 197 R CA -1.715 54.395 56.100 0.016 0.000 0.915 197 R CB 2.397 32.381 30.300 -0.526 0.000 1.228 197 R HN 0.031 nan 8.270 nan 0.000 0.449 198 P HA -0.010 nan 4.420 nan 0.000 0.266 198 P C -0.825 176.716 177.300 0.401 0.000 1.195 198 P CA -0.206 63.060 63.100 0.277 0.000 0.768 198 P CB 0.763 32.574 31.700 0.185 0.000 0.838 199 V N 0.214 120.314 119.914 0.309 0.000 3.113 199 V HA 0.598 4.718 4.120 -0.000 0.000 0.316 199 V C -0.509 175.725 176.094 0.234 0.000 1.125 199 V CA -1.053 61.408 62.300 0.269 0.000 1.026 199 V CB 2.321 34.195 31.823 0.086 0.000 1.080 199 V HN 0.199 nan 8.190 nan 0.000 0.444 200 K N 1.368 121.943 120.400 0.291 0.000 2.240 200 K HA 0.767 5.087 4.320 -0.000 0.000 0.271 200 K C -0.032 176.690 176.600 0.203 0.000 1.018 200 K CA 0.173 56.603 56.287 0.239 0.000 0.874 200 K CB 1.305 33.965 32.500 0.266 0.000 1.098 200 K HN 1.411 nan 8.250 nan 0.000 0.458 201 G N 1.829 110.702 108.800 0.123 0.000 2.339 201 G HA2 0.072 4.032 3.960 -0.000 0.000 0.302 201 G HA3 0.072 4.032 3.960 -0.000 0.000 0.302 201 G C -1.241 173.660 174.900 0.001 0.000 1.425 201 G CA -1.158 44.004 45.100 0.103 0.000 0.899 201 G HN 0.395 nan 8.290 nan 0.000 0.619 202 L N 1.384 122.558 121.223 -0.082 0.000 2.540 202 L HA 0.220 4.560 4.340 -0.000 0.000 0.276 202 L C -1.452 175.185 176.870 -0.388 0.000 1.212 202 L CA -0.972 53.656 54.840 -0.353 0.000 0.893 202 L CB 0.687 42.350 42.059 -0.660 0.000 1.138 202 L HN 0.317 nan 8.230 nan 0.000 0.491 203 P HA 0.045 nan 4.420 nan 0.000 0.214 203 P C -0.822 176.403 177.300 -0.125 0.000 1.826 203 P CA -0.488 62.520 63.100 -0.153 0.000 0.977 203 P CB -0.290 31.359 31.700 -0.085 0.000 1.930 204 W N 1.015 122.326 121.300 0.018 0.000 2.274 204 W HA 0.001 4.661 4.660 -0.000 0.000 0.345 204 W C 1.284 177.808 176.519 0.008 0.000 1.265 204 W CA 0.059 57.404 57.345 0.001 0.000 1.293 204 W CB 0.188 29.637 29.460 -0.019 0.000 1.175 204 W HN 0.255 nan 8.180 nan 0.000 0.577 205 D N 1.307 121.879 120.400 0.288 0.000 2.350 205 D HA 0.139 4.779 4.640 -0.000 0.000 0.272 205 D C 1.396 177.773 176.300 0.129 0.000 1.204 205 D CA -0.391 53.713 54.000 0.174 0.000 1.124 205 D CB 0.306 41.188 40.800 0.138 0.000 1.189 205 D HN 0.345 nan 8.370 nan 0.000 0.556 206 I N -2.248 118.369 120.570 0.079 0.000 3.564 206 I HA 0.377 4.547 4.170 -0.000 0.000 0.294 206 I C 1.190 177.352 176.117 0.075 0.000 1.289 206 I CA 0.220 61.544 61.300 0.041 0.000 1.325 206 I CB -0.116 37.858 38.000 -0.043 0.000 1.039 206 I HN 0.208 nan 8.210 nan 0.000 0.474 207 G N 0.953 109.766 108.800 0.022 0.000 3.126 207 G HA2 0.417 4.377 3.960 -0.000 0.000 0.224 207 G HA3 0.417 4.377 3.960 -0.000 0.000 0.224 207 G C 0.910 175.614 174.900 -0.328 0.000 1.142 207 G CA 0.281 45.345 45.100 -0.059 0.000 0.759 207 G HN 0.462 nan 8.290 nan 0.000 0.550 208 A N 0.940 123.434 122.820 -0.542 0.000 3.051 208 A HA 0.648 4.968 4.320 -0.000 0.000 0.257 208 A C -0.193 176.377 177.584 -1.691 0.000 1.785 208 A CA -0.072 51.166 52.037 -1.331 0.000 1.420 208 A CB -0.762 17.269 19.000 -1.616 0.000 1.063 208 A HN 0.574 nan 8.150 nan 0.000 0.630 209 I N -0.872 118.858 120.570 -1.401 0.000 2.771 209 I HA 0.497 4.667 4.170 -0.000 0.000 0.291 209 I C -1.170 174.439 176.117 -0.847 0.000 1.527 209 I CA 0.063 60.722 61.300 -1.068 0.000 1.024 209 I CB 1.876 39.366 38.000 -0.850 0.000 1.388 209 I HN 0.196 nan 8.210 nan 0.000 0.447 210 S N 2.745 117.849 115.700 -0.994 0.000 2.611 210 S HA 0.675 5.145 4.470 -0.000 0.000 0.268 210 S C -1.402 172.379 174.600 -1.365 0.000 1.156 210 S CA -0.657 56.711 58.200 -1.387 0.000 0.817 210 S CB 2.292 64.238 63.200 -2.091 0.000 1.122 210 S HN 0.677 nan 8.310 nan 0.000 0.466 211 T N 1.326 115.178 114.554 -1.171 0.000 2.893 211 T HA 0.877 5.226 4.350 -0.000 0.000 0.293 211 T C -0.994 173.486 174.700 -0.367 0.000 1.027 211 T CA -0.507 61.114 62.100 -0.798 0.000 0.988 211 T CB 1.703 69.805 68.868 -1.278 0.000 1.043 211 T HN 0.987 nan 8.240 nan 0.000 0.461 212 A N 2.182 124.781 122.820 -0.368 0.000 2.594 212 A HA 0.801 5.121 4.320 -0.000 0.000 0.295 212 A C -0.942 176.123 177.584 -0.864 0.000 1.071 212 A CA -0.982 50.643 52.037 -0.687 0.000 0.685 212 A CB 1.453 19.711 19.000 -1.236 0.000 1.285 212 A HN 0.775 nan 8.150 nan 0.000 0.405 213 R N 1.306 121.404 120.500 -0.668 0.000 2.205 213 R HA 0.424 4.764 4.340 -0.000 0.000 0.342 213 R C -1.400 174.567 176.300 -0.555 0.000 1.058 213 R CA -0.138 55.700 56.100 -0.437 0.000 0.904 213 R CB 0.225 30.402 30.300 -0.205 0.000 1.089 213 R HN 0.648 nan 8.270 nan 0.000 0.471 214 W N 2.661 123.852 121.300 -0.182 0.000 2.375 214 W HA 0.585 5.245 4.660 -0.001 0.000 0.336 214 W C 0.588 176.957 176.519 -0.252 0.000 1.160 214 W CA -0.524 56.678 57.345 -0.239 0.000 1.266 214 W CB 1.590 30.886 29.460 -0.273 0.000 1.195 214 W HN 0.664 nan 8.180 nan 0.000 0.599 215 G N 0.148 108.911 108.800 -0.061 0.000 2.701 215 G HA2 0.696 4.656 3.960 -0.000 0.000 0.300 215 G HA3 0.696 4.656 3.960 -0.000 0.000 0.300 215 G C -0.777 173.808 174.900 -0.525 0.000 1.410 215 G CA -0.111 44.862 45.100 -0.212 0.000 1.014 215 G HN 0.951 nan 8.290 nan 0.000 0.509 216 G N -0.615 107.850 108.800 -0.559 0.000 2.344 216 G HA2 0.630 4.590 3.960 -0.000 0.000 0.282 216 G HA3 0.630 4.590 3.960 -0.000 0.000 0.282 216 G C -0.490 174.243 174.900 -0.278 0.000 1.281 216 G CA 0.280 44.785 45.100 -0.992 0.000 0.877 216 G HN 1.750 nan 8.290 nan 0.000 0.494 217 A N -0.236 122.528 122.820 -0.094 0.000 2.407 217 A HA 0.690 5.010 4.320 -0.000 0.000 0.248 217 A C 0.664 178.186 177.584 -0.102 0.000 1.082 217 A CA -0.032 52.007 52.037 0.004 0.000 0.785 217 A CB 0.174 19.153 19.000 -0.034 0.000 1.020 217 A HN 0.658 nan 8.150 nan 0.000 0.489 218 R N 1.196 121.643 120.500 -0.088 0.000 2.389 218 R HA 0.173 4.513 4.340 -0.000 0.000 0.295 218 R C 0.972 177.158 176.300 -0.190 0.000 1.075 218 R CA -0.610 55.427 56.100 -0.105 0.000 1.005 218 R CB 0.517 30.770 30.300 -0.077 0.000 0.987 218 R HN 0.720 nan 8.270 nan 0.000 0.452 219 L N 4.544 125.663 121.223 -0.172 0.000 2.042 219 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 219 L C 2.429 179.199 176.870 -0.166 0.000 1.076 219 L CA 1.847 56.583 54.840 -0.173 0.000 0.749 219 L CB -0.537 41.443 42.059 -0.132 0.000 0.893 219 L HN 0.647 nan 8.230 nan 0.000 0.432 220 R N -0.498 119.915 120.500 -0.146 0.000 2.096 220 R HA -0.221 4.119 4.340 -0.000 0.000 0.240 220 R C 1.835 178.085 176.300 -0.084 0.000 1.139 220 R CA 2.193 58.219 56.100 -0.123 0.000 0.952 220 R CB -0.669 29.571 30.300 -0.101 0.000 0.854 220 R HN 0.444 nan 8.270 nan 0.000 0.436 221 D N 0.194 120.533 120.400 -0.102 0.000 2.097 221 D HA -0.124 4.516 4.640 -0.000 0.000 0.195 221 D C 2.088 178.326 176.300 -0.102 0.000 0.989 221 D CA 1.460 55.432 54.000 -0.047 0.000 0.827 221 D CB -0.316 40.479 40.800 -0.007 0.000 0.966 221 D HN 0.135 nan 8.370 nan 0.000 0.456 222 V N 1.393 121.046 119.914 -0.436 0.000 2.282 222 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 222 V C 2.692 178.814 176.094 0.047 0.000 1.057 222 V CA 1.276 63.352 62.300 -0.373 0.000 1.032 222 V CB -0.501 31.091 31.823 -0.384 0.000 0.645 222 V HN 0.203 nan 8.190 nan 0.000 0.447 223 L N -0.987 120.253 121.223 0.030 0.000 1.994 223 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 223 L C 2.456 179.489 176.870 0.272 0.000 1.071 223 L CA 1.602 56.541 54.840 0.166 0.000 0.745 223 L CB -0.573 41.476 42.059 -0.016 0.000 0.892 223 L HN 0.290 nan 8.230 nan 0.000 0.431 224 L N -0.896 120.433 121.223 0.178 0.000 2.043 224 L HA -0.331 4.009 4.340 -0.000 0.000 0.212 224 L C 2.734 179.729 176.870 0.208 0.000 1.075 224 L CA 1.531 56.479 54.840 0.180 0.000 0.752 224 L CB -0.917 41.223 42.059 0.136 0.000 0.891 224 L HN 0.426 nan 8.230 nan 0.000 0.432 225 H N 0.156 119.335 119.070 0.181 0.000 2.387 225 H HA -0.150 4.405 4.556 -0.000 0.000 0.299 225 H C 2.028 177.445 175.328 0.148 0.000 1.090 225 H CA 1.272 57.445 56.048 0.208 0.000 1.332 225 H CB 0.375 30.378 29.762 0.402 0.000 1.386 225 H HN 0.371 nan 8.280 nan 0.000 0.516 226 A N -0.308 122.547 122.820 0.058 0.000 2.209 226 A HA 0.144 4.464 4.320 -0.000 0.000 0.212 226 A C 1.977 179.458 177.584 -0.172 0.000 1.158 226 A CA 1.254 53.264 52.037 -0.045 0.000 0.742 226 A CB -0.355 18.744 19.000 0.166 0.000 0.790 226 A HN 0.700 nan 8.150 nan 0.000 0.472 227 G N -2.567 106.163 108.800 -0.117 0.000 2.255 227 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.196 227 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.196 227 G C 0.059 174.835 174.900 -0.206 0.000 0.998 227 G CA -0.175 44.804 45.100 -0.202 0.000 0.656 227 G HN 0.267 nan 8.290 nan 0.000 0.490 228 F N 3.098 123.046 119.950 -0.004 0.000 2.490 228 F HA 0.469 4.996 4.527 -0.001 0.000 0.336 228 F C -0.534 175.276 175.800 0.017 0.000 1.178 228 F CA -1.009 56.995 58.000 0.007 0.000 1.301 228 F CB 0.394 39.445 39.000 0.086 0.000 1.175 228 F HN -0.038 nan 8.300 nan 0.000 0.593 229 P HA 0.136 nan 4.420 nan 0.000 0.281 229 P C -0.098 177.301 177.300 0.166 0.000 1.281 229 P CA -0.360 62.808 63.100 0.113 0.000 0.811 229 P CB 0.909 32.626 31.700 0.029 0.000 1.154 230 E N -0.382 119.880 120.200 0.105 0.000 2.204 230 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 230 E C 0.312 177.008 176.600 0.159 0.000 0.990 230 E CA 1.364 57.826 56.400 0.103 0.000 0.821 230 E CB 0.349 30.084 29.700 0.058 0.000 0.750 230 E HN 0.549 nan 8.360 nan 0.000 0.477 231 E N -0.003 120.269 120.200 0.120 0.000 2.291 231 E HA 0.356 4.706 4.350 -0.000 0.000 0.276 231 E C -1.432 175.118 176.600 -0.083 0.000 0.896 231 E CA -0.254 56.190 56.400 0.074 0.000 0.774 231 E CB 1.376 31.100 29.700 0.041 0.000 1.227 231 E HN -0.095 nan 8.360 nan 0.000 0.413 232 L N 2.750 123.817 121.223 -0.259 0.000 2.331 232 L HA 0.431 4.771 4.340 -0.000 0.000 0.275 232 L C -0.205 176.567 176.870 -0.163 0.000 1.022 232 L CA -1.111 53.446 54.840 -0.472 0.000 0.812 232 L CB 1.736 43.025 42.059 -1.284 0.000 1.257 232 L HN 0.492 nan 8.230 nan 0.000 0.435 233 Q N 1.472 121.247 119.800 -0.042 0.000 2.296 233 Q HA 0.539 4.879 4.340 -0.000 0.000 0.263 233 Q C 0.095 176.272 176.000 0.294 0.000 1.026 233 Q CA 1.046 56.915 55.803 0.111 0.000 0.912 233 Q CB 0.878 29.672 28.738 0.093 0.000 1.198 233 Q HN 0.764 nan 8.270 nan 0.000 0.407 234 G N 3.025 111.949 108.800 0.208 0.000 2.466 234 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.316 234 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.316 234 G C -1.453 173.547 174.900 0.167 0.000 1.270 234 G CA -0.884 44.305 45.100 0.149 0.000 0.982 234 G HN 0.496 nan 8.290 nan 0.000 0.506 235 E N -0.239 119.962 120.200 0.001 0.000 2.115 235 E HA 0.571 4.921 4.350 -0.000 0.000 0.282 235 E C -0.898 175.590 176.600 -0.187 0.000 0.987 235 E CA -0.186 56.191 56.400 -0.038 0.000 0.797 235 E CB 1.026 30.712 29.700 -0.022 0.000 1.086 235 E HN 0.444 nan 8.360 nan 0.000 0.397 236 W N 1.281 122.428 121.300 -0.255 0.000 2.820 236 W HA 0.394 5.054 4.660 0.000 0.000 0.350 236 W C 0.349 176.622 176.519 -0.411 0.000 1.116 236 W CA -0.396 56.825 57.345 -0.207 0.000 1.146 236 W CB 1.300 30.595 29.460 -0.275 0.000 1.433 236 W HN 0.343 nan 8.180 nan 0.000 0.561 237 H N 0.283 119.497 119.070 0.241 0.000 2.851 237 H HA 0.528 5.084 4.556 -0.000 0.000 0.372 237 H C -1.279 174.075 175.328 0.043 0.000 1.158 237 H CA -0.843 55.264 56.048 0.098 0.000 1.159 237 H CB 2.058 31.815 29.762 -0.009 0.000 1.757 237 H HN 0.012 nan 8.280 nan 0.000 0.546 238 V N 2.372 122.280 119.914 -0.011 0.000 2.370 238 V HA 0.182 4.302 4.120 -0.000 0.000 0.283 238 V C 0.125 175.853 176.094 -0.611 0.000 1.023 238 V CA -0.451 61.693 62.300 -0.261 0.000 0.857 238 V CB 0.861 32.498 31.823 -0.309 0.000 0.985 238 V HN 0.764 nan 8.190 nan 0.000 0.443 239 C N 5.833 124.818 119.300 -0.524 0.000 2.329 239 C HA 0.744 5.204 4.460 -0.000 0.000 0.329 239 C C -0.322 174.361 174.990 -0.513 0.000 1.275 239 C CA -0.842 57.869 59.018 -0.511 0.000 1.726 239 C CB 0.162 27.790 27.740 -0.187 0.000 2.291 239 C HN 0.669 nan 8.230 nan 0.000 0.514 240 F N 1.348 121.306 119.950 0.013 0.000 2.495 240 F HA 0.559 5.086 4.527 -0.000 0.000 0.327 240 F C 0.417 176.241 175.800 0.041 0.000 1.103 240 F CA -0.788 57.224 58.000 0.021 0.000 0.949 240 F CB 0.954 39.959 39.000 0.007 0.000 1.142 240 F HN 0.533 nan 8.300 nan 0.000 0.457 241 E N 0.546 120.892 120.200 0.243 0.000 2.212 241 E HA 0.619 4.969 4.350 -0.000 0.000 0.268 241 E C -0.094 176.642 176.600 0.228 0.000 0.902 241 E CA -0.917 55.605 56.400 0.202 0.000 0.779 241 E CB 2.348 32.137 29.700 0.149 0.000 1.172 241 E HN 0.802 nan 8.360 nan 0.000 0.409 242 G N 0.959 109.917 108.800 0.262 0.000 2.531 242 G HA2 0.294 4.254 3.960 -0.000 0.000 0.313 242 G HA3 0.294 4.254 3.960 -0.000 0.000 0.313 242 G C 0.490 175.534 174.900 0.241 0.000 1.238 242 G CA -0.511 44.763 45.100 0.289 0.000 0.994 242 G HN 0.480 nan 8.290 nan 0.000 0.493 243 L N -0.195 121.179 121.223 0.252 0.000 2.270 243 L HA 0.095 4.435 4.340 -0.000 0.000 0.210 243 L C 0.752 177.655 176.870 0.055 0.000 1.104 243 L CA 0.174 55.102 54.840 0.146 0.000 0.804 243 L CB -0.257 41.889 42.059 0.146 0.000 0.937 243 L HN 0.551 nan 8.230 nan 0.000 0.450 244 D N 1.117 121.533 120.400 0.027 0.000 2.417 244 D HA 0.307 4.947 4.640 -0.000 0.000 0.250 244 D C -0.168 176.166 176.300 0.057 0.000 1.166 244 D CA 0.103 54.070 54.000 -0.054 0.000 0.881 244 D CB 1.490 42.203 40.800 -0.144 0.000 1.164 244 D HN 0.045 nan 8.370 nan 0.000 0.467 245 A N 2.576 125.419 122.820 0.038 0.000 2.430 245 A HA 0.559 4.879 4.320 -0.000 0.000 0.300 245 A C -0.455 177.180 177.584 0.085 0.000 1.124 245 A CA -0.869 51.228 52.037 0.099 0.000 0.766 245 A CB 1.259 20.308 19.000 0.081 0.000 1.328 245 A HN 0.672 nan 8.150 nan 0.000 0.424 246 D N 0.317 120.800 120.400 0.138 0.000 2.447 246 D HA 0.399 5.039 4.640 -0.000 0.000 0.265 246 D C -1.713 174.621 176.300 0.057 0.000 1.250 246 D CA -1.179 52.894 54.000 0.121 0.000 1.046 246 D CB -0.508 40.397 40.800 0.174 0.000 1.095 246 D HN 0.126 nan 8.370 nan 0.000 0.555 247 P HA -0.057 nan 4.420 nan 0.000 0.217 247 P C 1.187 178.499 177.300 0.019 0.000 1.158 247 P CA 2.048 65.161 63.100 0.021 0.000 0.887 247 P CB -0.227 31.489 31.700 0.026 0.000 0.792 248 G N -2.245 106.571 108.800 0.027 0.000 3.496 248 G HA2 0.377 4.337 3.960 -0.000 0.000 0.273 248 G HA3 0.377 4.337 3.960 -0.000 0.000 0.273 248 G C 1.027 175.943 174.900 0.027 0.000 1.279 248 G CA 0.349 45.460 45.100 0.020 0.000 1.041 248 G HN 0.477 nan 8.290 nan 0.000 0.539 249 G N -0.568 108.254 108.800 0.037 0.000 2.336 249 G HA2 0.007 3.967 3.960 -0.000 0.000 0.233 249 G HA3 0.007 3.967 3.960 -0.000 0.000 0.233 249 G C 0.816 175.757 174.900 0.068 0.000 1.053 249 G CA 0.099 45.224 45.100 0.042 0.000 0.625 249 G HN 1.502 nan 8.290 nan 0.000 0.511 250 A N 2.891 125.763 122.820 0.085 0.000 2.451 250 A HA 0.628 4.948 4.320 -0.000 0.000 0.266 250 A C -1.166 176.547 177.584 0.215 0.000 1.119 250 A CA -0.184 51.928 52.037 0.125 0.000 0.786 250 A CB 0.328 19.383 19.000 0.093 0.000 1.061 250 A HN 0.374 nan 8.150 nan 0.000 0.503 251 P HA 0.175 nan 4.420 nan 0.000 0.278 251 P C -0.824 176.696 177.300 0.366 0.000 1.258 251 P CA -0.297 62.949 63.100 0.243 0.000 0.811 251 P CB 0.572 32.381 31.700 0.182 0.000 1.063 252 Y N 0.714 121.100 120.300 0.143 0.000 2.346 252 Y HA 0.478 5.028 4.550 -0.000 0.000 0.330 252 Y C 0.379 176.364 175.900 0.141 0.000 1.178 252 Y CA 1.043 59.128 58.100 -0.026 0.000 1.331 252 Y CB 0.334 38.595 38.460 -0.331 0.000 1.253 252 Y HN 0.619 nan 8.280 nan 0.000 0.529 253 G N 2.492 111.003 108.800 -0.482 0.000 2.718 253 G HA2 0.751 4.711 3.960 -0.000 0.000 0.295 253 G HA3 0.751 4.711 3.960 -0.000 0.000 0.295 253 G C -2.133 172.581 174.900 -0.310 0.000 1.421 253 G CA -0.346 44.641 45.100 -0.188 0.000 0.902 253 G HN 1.014 nan 8.290 nan 0.000 0.501 254 A N 0.028 122.819 122.820 -0.048 0.000 2.602 254 A HA 0.989 5.309 4.320 -0.000 0.000 0.290 254 A C -0.258 177.349 177.584 0.039 0.000 1.114 254 A CA 0.082 52.128 52.037 0.015 0.000 0.683 254 A CB 1.530 20.581 19.000 0.085 0.000 1.281 254 A HN 2.270 nan 8.150 nan 0.000 0.416 255 S N -0.751 114.952 115.700 0.006 0.000 2.618 255 S HA 0.861 5.331 4.470 -0.000 0.000 0.277 255 S C -0.656 173.960 174.600 0.026 0.000 1.138 255 S CA -0.191 57.942 58.200 -0.112 0.000 0.844 255 S CB 1.180 64.309 63.200 -0.119 0.000 1.127 255 S HN 1.919 nan 8.310 nan 0.000 0.474 256 I N -2.827 117.744 120.570 0.003 0.000 2.934 256 I HA 0.713 4.883 4.170 -0.000 0.000 0.306 256 I C -3.265 172.898 176.117 0.076 0.000 1.110 256 I CA -3.232 58.122 61.300 0.090 0.000 1.019 256 I CB 1.993 40.062 38.000 0.115 0.000 1.227 256 I HN 0.280 nan 8.210 nan 0.000 0.434 257 P HA 0.046 nan 4.420 nan 0.000 0.267 257 P C 0.079 177.360 177.300 -0.031 0.000 1.209 257 P CA 0.258 63.326 63.100 -0.054 0.000 0.763 257 P CB 0.158 31.842 31.700 -0.027 0.000 0.816 258 Y N 4.659 124.874 120.300 -0.142 0.000 2.108 258 Y HA -0.381 4.169 4.550 -0.000 0.000 0.274 258 Y C 2.350 178.204 175.900 -0.076 0.000 1.229 258 Y CA 2.762 60.802 58.100 -0.101 0.000 1.129 258 Y CB -1.012 37.414 38.460 -0.057 0.000 0.946 258 Y HN 0.508 nan 8.280 nan 0.000 0.509 259 G N -0.579 108.268 108.800 0.079 0.000 2.491 259 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.218 259 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.218 259 G C 1.751 176.619 174.900 -0.053 0.000 1.180 259 G CA 1.128 46.245 45.100 0.029 0.000 0.774 259 G HN 0.460 nan 8.290 nan 0.000 0.562 260 R N 0.575 121.049 120.500 -0.044 0.000 2.120 260 R HA 0.038 4.378 4.340 -0.000 0.000 0.234 260 R C 2.816 179.056 176.300 -0.099 0.000 1.123 260 R CA 1.412 57.487 56.100 -0.042 0.000 0.975 260 R CB -0.324 29.967 30.300 -0.015 0.000 0.866 260 R HN 0.323 nan 8.270 nan 0.000 0.446 261 A N 0.657 123.375 122.820 -0.169 0.000 1.929 261 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 261 A C 1.971 179.397 177.584 -0.263 0.000 1.176 261 A CA 0.726 52.633 52.037 -0.216 0.000 0.628 261 A CB -0.214 18.614 19.000 -0.287 0.000 0.816 261 A HN 0.272 nan 8.150 nan 0.000 0.444 262 L N 0.114 121.131 121.223 -0.344 0.000 2.492 262 L HA 0.061 4.401 4.340 -0.000 0.000 0.223 262 L C 1.290 178.088 176.870 -0.120 0.000 1.132 262 L CA 0.764 55.449 54.840 -0.259 0.000 0.850 262 L CB -0.879 41.002 42.059 -0.297 0.000 0.966 262 L HN 0.423 nan 8.230 nan 0.000 0.454 263 S N 0.340 115.987 115.700 -0.088 0.000 2.505 263 S HA 0.177 4.647 4.470 -0.000 0.000 0.276 263 S C -1.277 173.312 174.600 -0.019 0.000 1.274 263 S CA -1.127 57.055 58.200 -0.030 0.000 1.053 263 S CB 1.405 64.606 63.200 0.002 0.000 0.919 263 S HN -0.046 nan 8.310 nan 0.000 0.490 264 P HA 0.002 nan 4.420 nan 0.000 0.216 264 P C 1.228 178.550 177.300 0.037 0.000 1.153 264 P CA 1.323 64.416 63.100 -0.012 0.000 0.848 264 P CB -0.008 31.684 31.700 -0.014 0.000 0.787 265 A N -0.258 122.609 122.820 0.077 0.000 2.119 265 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 265 A C 2.145 179.904 177.584 0.293 0.000 1.153 265 A CA 1.480 53.615 52.037 0.163 0.000 0.692 265 A CB -1.292 17.784 19.000 0.126 0.000 0.799 265 A HN 0.196 nan 8.150 nan 0.000 0.458 266 A N -1.075 121.849 122.820 0.174 0.000 2.169 266 A HA 0.179 4.499 4.320 -0.000 0.000 0.212 266 A C 0.624 178.157 177.584 -0.086 0.000 1.153 266 A CA 0.816 52.936 52.037 0.138 0.000 0.756 266 A CB -0.196 18.823 19.000 0.031 0.000 0.813 266 A HN 0.393 nan 8.150 nan 0.000 0.471 267 D N -0.885 119.518 120.400 0.005 0.000 2.751 267 D HA -0.125 4.515 4.640 -0.000 0.000 0.233 267 D C -0.358 175.815 176.300 -0.212 0.000 1.149 267 D CA 0.945 54.919 54.000 -0.043 0.000 0.682 267 D CB -1.770 39.010 40.800 -0.034 0.000 1.068 267 D HN 0.220 nan 8.370 nan 0.000 0.429 268 V N 1.199 120.995 119.914 -0.196 0.000 2.439 268 V HA 0.157 4.277 4.120 -0.000 0.000 0.271 268 V C 1.104 177.071 176.094 -0.211 0.000 1.040 268 V CA -0.100 62.055 62.300 -0.242 0.000 1.002 268 V CB 1.067 32.774 31.823 -0.193 0.000 1.000 268 V HN 0.096 nan 8.190 nan 0.000 0.477 269 L N 5.660 126.721 121.223 -0.269 0.000 2.344 269 L HA 0.545 4.885 4.340 -0.000 0.000 0.272 269 L C -0.237 176.449 176.870 -0.305 0.000 1.035 269 L CA -0.695 53.995 54.840 -0.249 0.000 0.807 269 L CB 1.740 43.649 42.059 -0.251 0.000 1.237 269 L HN 0.446 nan 8.230 nan 0.000 0.442 270 L N 3.019 124.088 121.223 -0.256 0.000 2.360 270 L HA 0.437 4.777 4.340 -0.000 0.000 0.265 270 L C 0.263 176.985 176.870 -0.247 0.000 1.066 270 L CA -0.349 54.345 54.840 -0.243 0.000 0.929 270 L CB 0.972 42.938 42.059 -0.154 0.000 1.306 270 L HN 0.630 nan 8.230 nan 0.000 0.434 271 A N 2.156 124.788 122.820 -0.312 0.000 2.340 271 A HA 0.446 4.766 4.320 -0.000 0.000 0.268 271 A C -0.057 177.387 177.584 -0.234 0.000 1.100 271 A CA -0.136 51.695 52.037 -0.344 0.000 0.803 271 A CB 0.262 19.112 19.000 -0.250 0.000 1.043 271 A HN 0.711 nan 8.150 nan 0.000 0.488 272 Y N -1.186 119.081 120.300 -0.055 0.000 2.563 272 Y HA 0.492 5.044 4.550 0.003 0.000 0.250 272 Y C 0.056 175.950 175.900 -0.009 0.000 1.126 272 Y CA -0.571 57.489 58.100 -0.067 0.000 1.231 272 Y CB -0.108 38.307 38.460 -0.074 0.000 1.288 272 Y HN 0.569 nan 8.280 nan 0.000 0.537 273 E N 1.781 121.981 120.200 0.000 0.000 2.317 273 E HA 0.593 4.943 4.350 -0.000 0.000 0.270 273 E C -1.571 175.020 176.600 -0.015 0.000 0.885 273 E CA -1.085 55.335 56.400 0.033 0.000 0.760 273 E CB 2.929 32.645 29.700 0.026 0.000 1.227 273 E HN 0.209 nan 8.360 nan 0.000 0.434 274 M N 2.976 122.520 119.600 -0.094 0.000 2.183 274 M HA 0.285 4.765 4.480 -0.000 0.000 0.277 274 M C -1.341 174.761 176.300 -0.329 0.000 0.995 274 M CA -0.346 54.763 55.300 -0.319 0.000 0.969 274 M CB 1.141 33.543 32.600 -0.330 0.000 1.659 274 M HN 0.458 nan 8.290 nan 0.000 0.462 275 N N 3.459 121.919 118.700 -0.400 0.000 2.714 275 N HA -0.187 4.553 4.740 -0.000 0.000 0.252 275 N C 0.656 176.077 175.510 -0.148 0.000 1.014 275 N CA 1.879 54.772 53.050 -0.263 0.000 0.735 275 N CB -1.206 37.125 38.487 -0.259 0.000 0.924 275 N HN 1.204 nan 8.380 nan 0.000 0.540 276 G N -2.466 106.264 108.800 -0.116 0.000 2.162 276 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 276 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 276 G C 0.302 175.186 174.900 -0.027 0.000 0.976 276 G CA 1.489 46.556 45.100 -0.055 0.000 0.655 276 G HN 1.184 nan 8.290 nan 0.000 0.533 277 T N -2.504 112.029 114.554 -0.034 0.000 2.864 277 T HA 0.695 5.045 4.350 -0.000 0.000 0.289 277 T C -0.019 174.699 174.700 0.030 0.000 1.082 277 T CA -0.015 62.084 62.100 -0.002 0.000 1.009 277 T CB 2.192 71.049 68.868 -0.018 0.000 1.234 277 T HN 0.829 nan 8.240 nan 0.000 0.526 278 E N 0.861 121.102 120.200 0.068 0.000 2.373 278 E HA 0.298 4.648 4.350 -0.000 0.000 0.263 278 E C -0.406 176.279 176.600 0.141 0.000 1.073 278 E CA -0.865 55.622 56.400 0.144 0.000 0.894 278 E CB 0.552 30.382 29.700 0.217 0.000 1.008 278 E HN 0.589 nan 8.360 nan 0.000 0.420 279 L N 3.275 124.615 121.223 0.195 0.000 2.667 279 L HA 0.023 4.363 4.340 -0.000 0.000 0.278 279 L C -1.892 175.109 176.870 0.218 0.000 1.217 279 L CA -1.155 53.787 54.840 0.171 0.000 0.935 279 L CB -0.129 42.015 42.059 0.141 0.000 1.193 279 L HN 0.479 nan 8.230 nan 0.000 0.493 280 P HA 0.050 nan 4.420 nan 0.000 0.269 280 P C 0.362 177.745 177.300 0.137 0.000 1.217 280 P CA -0.153 62.995 63.100 0.080 0.000 0.783 280 P CB 0.543 32.312 31.700 0.115 0.000 0.898 281 R N 1.033 121.583 120.500 0.084 0.000 2.094 281 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 281 R C 1.463 177.949 176.300 0.310 0.000 1.137 281 R CA 1.827 58.071 56.100 0.239 0.000 0.943 281 R CB -0.767 29.590 30.300 0.095 0.000 0.850 281 R HN 0.530 nan 8.270 nan 0.000 0.433 282 D N -0.503 119.933 120.400 0.061 0.000 2.265 282 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 282 D C 1.115 177.247 176.300 -0.280 0.000 0.977 282 D CA 1.176 55.139 54.000 -0.061 0.000 0.871 282 D CB -0.028 40.563 40.800 -0.349 0.000 0.925 282 D HN 0.362 nan 8.370 nan 0.000 0.485 283 H N -1.850 117.169 119.070 -0.084 0.000 2.592 283 H HA 0.399 4.955 4.556 -0.000 0.000 0.279 283 H C 1.283 176.310 175.328 -0.502 0.000 1.089 283 H CA 0.681 56.542 56.048 -0.311 0.000 1.150 283 H CB 1.063 30.660 29.762 -0.276 0.000 1.575 283 H HN 0.162 nan 8.280 nan 0.000 0.547 284 G N 0.967 109.411 108.800 -0.593 0.000 2.183 284 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.168 284 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.168 284 G C 0.005 174.655 174.900 -0.417 0.000 1.008 284 G CA -0.446 43.998 45.100 -1.093 0.000 0.677 284 G HN 0.297 nan 8.290 nan 0.000 0.498 285 F N 2.935 122.824 119.950 -0.101 0.000 2.629 285 F HA 0.392 4.918 4.527 -0.002 0.000 0.377 285 F C -0.359 175.463 175.800 0.036 0.000 1.101 285 F CA -0.292 57.703 58.000 -0.009 0.000 1.301 285 F CB 1.046 40.071 39.000 0.042 0.000 1.062 285 F HN -0.007 nan 8.300 nan 0.000 0.583 286 P HA 0.064 nan 4.420 nan 0.000 0.252 286 P C -0.750 176.187 177.300 -0.604 0.000 1.218 286 P CA 0.607 62.863 63.100 -1.407 0.000 0.807 286 P CB 0.665 31.439 31.700 -1.543 0.000 1.072 287 V N 0.938 120.574 119.914 -0.462 0.000 2.888 287 V HA 0.492 4.612 4.120 -0.000 0.000 0.309 287 V C -0.117 175.825 176.094 -0.253 0.000 1.114 287 V CA -0.848 61.302 62.300 -0.250 0.000 0.940 287 V CB 2.793 34.542 31.823 -0.123 0.000 1.021 287 V HN 0.129 nan 8.190 nan 0.000 0.426 288 R N 2.071 122.398 120.500 -0.288 0.000 2.836 288 R HA 0.897 5.237 4.340 -0.000 0.000 0.269 288 R C -1.839 174.203 176.300 -0.431 0.000 1.010 288 R CA -0.777 55.089 56.100 -0.389 0.000 0.930 288 R CB 2.052 32.049 30.300 -0.504 0.000 1.218 288 R HN 0.342 nan 8.270 nan 0.000 0.473 289 V N 1.514 121.115 119.914 -0.522 0.000 2.644 289 V HA 0.416 4.536 4.120 -0.000 0.000 0.295 289 V C -0.330 175.381 176.094 -0.637 0.000 1.053 289 V CA -0.714 61.216 62.300 -0.617 0.000 0.987 289 V CB 1.551 32.823 31.823 -0.918 0.000 1.006 289 V HN 0.528 nan 8.190 nan 0.000 0.472 290 V N 4.455 123.995 119.914 -0.623 0.000 2.407 290 V HA 0.353 4.473 4.120 -0.000 0.000 0.291 290 V C -0.289 175.488 176.094 -0.529 0.000 1.018 290 V CA -0.510 61.366 62.300 -0.705 0.000 0.842 290 V CB 1.907 33.155 31.823 -0.958 0.000 0.996 290 V HN 0.615 nan 8.190 nan 0.000 0.426 291 V N 7.678 127.329 119.914 -0.440 0.000 2.259 291 V HA 0.303 4.423 4.120 -0.000 0.000 0.267 291 V C -2.242 173.642 176.094 -0.350 0.000 1.051 291 V CA -1.907 60.188 62.300 -0.341 0.000 0.830 291 V CB 1.107 32.808 31.823 -0.202 0.000 1.080 291 V HN 0.713 nan 8.190 nan 0.000 0.467 292 P HA 0.197 nan 4.420 nan 0.000 0.265 292 P C 1.105 178.255 177.300 -0.251 0.000 1.187 292 P CA 1.254 63.989 63.100 -0.607 0.000 0.766 292 P CB 0.653 31.291 31.700 -1.769 0.000 0.820 293 G N 0.472 109.465 108.800 0.321 0.000 2.179 293 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.260 293 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.260 293 G C 0.087 175.208 174.900 0.368 0.000 0.977 293 G CA 0.219 45.640 45.100 0.534 0.000 0.641 293 G HN 0.739 nan 8.290 nan 0.000 0.533 294 V N -2.663 117.402 119.914 0.251 0.000 3.158 294 V HA 0.897 5.017 4.120 -0.000 0.000 0.315 294 V C 1.017 177.197 176.094 0.142 0.000 1.148 294 V CA -0.590 61.812 62.300 0.170 0.000 1.042 294 V CB 1.653 33.515 31.823 0.064 0.000 1.101 294 V HN 1.236 nan 8.190 nan 0.000 0.448 295 V N 1.966 121.934 119.914 0.089 0.000 2.963 295 V HA 0.404 4.524 4.120 -0.000 0.000 0.306 295 V C 1.718 177.781 176.094 -0.052 0.000 1.077 295 V CA 1.197 63.514 62.300 0.027 0.000 1.124 295 V CB 1.092 32.921 31.823 0.011 0.000 0.987 295 V HN 1.342 nan 8.190 nan 0.000 0.487 296 G N 4.059 112.811 108.800 -0.080 0.000 2.450 296 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 296 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 296 G C 1.584 176.410 174.900 -0.124 0.000 1.130 296 G CA 1.015 46.062 45.100 -0.088 0.000 0.760 296 G HN 1.387 nan 8.290 nan 0.000 0.557 297 A N 0.647 123.350 122.820 -0.194 0.000 2.104 297 A HA -0.164 4.156 4.320 -0.000 0.000 0.223 297 A C 2.282 179.837 177.584 -0.047 0.000 1.164 297 A CA 1.708 53.587 52.037 -0.264 0.000 0.659 297 A CB -0.219 18.261 19.000 -0.866 0.000 0.808 297 A HN 0.301 nan 8.150 nan 0.000 0.465 298 R N -0.277 120.190 120.500 -0.054 0.000 2.334 298 R HA 0.180 4.520 4.340 -0.000 0.000 0.216 298 R C 0.067 176.338 176.300 -0.049 0.000 0.905 298 R CA 0.200 56.314 56.100 0.023 0.000 1.064 298 R CB -0.490 29.836 30.300 0.043 0.000 1.046 298 R HN 0.325 nan 8.270 nan 0.000 0.508 299 S N 1.781 117.388 115.700 -0.156 0.000 3.940 299 S HA 0.155 4.625 4.470 -0.000 0.000 0.210 299 S C 0.232 174.647 174.600 -0.308 0.000 1.419 299 S CA -0.308 57.701 58.200 -0.319 0.000 0.912 299 S CB 0.191 63.142 63.200 -0.414 0.000 1.489 299 S HN -0.074 nan 8.310 nan 0.000 0.469 300 V N 3.932 123.706 119.914 -0.232 0.000 2.539 300 V HA -0.031 4.089 4.120 -0.000 0.000 0.300 300 V C 0.798 176.734 176.094 -0.262 0.000 1.019 300 V CA 0.485 62.726 62.300 -0.097 0.000 1.160 300 V CB -0.236 31.617 31.823 0.051 0.000 0.901 300 V HN 0.549 nan 8.190 nan 0.000 0.481 301 K N 4.397 124.605 120.400 -0.320 0.000 2.090 301 K HA 0.305 4.625 4.320 -0.000 0.000 0.249 301 K C -0.167 176.268 176.600 -0.275 0.000 0.995 301 K CA -0.614 55.304 56.287 -0.614 0.000 0.914 301 K CB 0.710 32.423 32.500 -1.311 0.000 1.057 301 K HN 0.715 nan 8.250 nan 0.000 0.462 302 W N 1.076 122.333 121.300 -0.071 0.000 6.111 302 W HA -0.210 4.449 4.660 -0.001 0.000 0.409 302 W C -0.344 176.196 176.519 0.034 0.000 1.586 302 W CA -0.441 56.886 57.345 -0.032 0.000 1.027 302 W CB -1.990 27.469 29.460 -0.002 0.000 2.784 302 W HN 0.379 nan 8.180 nan 0.000 1.485 303 L N 2.053 123.357 121.223 0.134 0.000 2.513 303 L HA 0.008 4.348 4.340 -0.000 0.000 0.272 303 L C 1.822 178.845 176.870 0.256 0.000 1.187 303 L CA 1.220 56.152 54.840 0.154 0.000 0.895 303 L CB 0.457 42.553 42.059 0.062 0.000 1.147 303 L HN 0.273 nan 8.230 nan 0.000 0.483 304 R N 3.925 124.550 120.500 0.208 0.000 2.394 304 R HA 0.318 4.658 4.340 -0.000 0.000 0.220 304 R C 0.325 176.685 176.300 0.101 0.000 0.887 304 R CA -0.325 55.866 56.100 0.153 0.000 1.034 304 R CB 0.510 30.892 30.300 0.136 0.000 1.179 304 R HN 0.597 nan 8.270 nan 0.000 0.561 305 R N 0.536 121.118 120.500 0.137 0.000 2.594 305 R HA 0.391 4.731 4.340 -0.000 0.000 0.265 305 R C -2.014 174.391 176.300 0.175 0.000 1.070 305 R CA -0.609 55.566 56.100 0.124 0.000 0.909 305 R CB 2.790 33.149 30.300 0.098 0.000 1.243 305 R HN 0.006 nan 8.270 nan 0.000 0.455 306 V N 2.643 122.648 119.914 0.151 0.000 2.443 306 V HA 0.721 4.841 4.120 -0.000 0.000 0.293 306 V C -0.573 175.561 176.094 0.067 0.000 1.021 306 V CA -0.612 61.775 62.300 0.145 0.000 0.848 306 V CB 1.427 33.359 31.823 0.182 0.000 0.998 306 V HN 0.881 nan 8.190 nan 0.000 0.424 307 A N 4.621 127.439 122.820 -0.003 0.000 2.374 307 A HA 0.932 5.252 4.320 -0.000 0.000 0.317 307 A C -0.876 176.695 177.584 -0.022 0.000 1.094 307 A CA -0.619 51.436 52.037 0.030 0.000 0.765 307 A CB 1.923 20.946 19.000 0.038 0.000 1.268 307 A HN 0.597 nan 8.150 nan 0.000 0.438 308 V N 1.163 121.099 119.914 0.036 0.000 2.547 308 V HA 0.783 4.903 4.120 -0.000 0.000 0.299 308 V C 0.336 176.579 176.094 0.248 0.000 1.040 308 V CA -0.032 62.290 62.300 0.036 0.000 0.913 308 V CB 1.593 33.268 31.823 -0.246 0.000 0.992 308 V HN 1.078 nan 8.190 nan 0.000 0.449 309 S N 4.225 120.129 115.700 0.340 0.000 2.570 309 S HA 0.549 5.019 4.470 -0.000 0.000 0.270 309 S C -2.545 172.080 174.600 0.041 0.000 1.149 309 S CA -1.035 57.316 58.200 0.251 0.000 0.837 309 S CB 2.337 65.588 63.200 0.085 0.000 1.124 309 S HN 0.415 nan 8.310 nan 0.000 0.465 310 P HA 0.141 nan 4.420 nan 0.000 0.228 310 P C -0.509 176.644 177.300 -0.246 0.000 1.151 310 P CA 1.080 63.740 63.100 -0.734 0.000 0.770 310 P CB -0.005 31.298 31.700 -0.663 0.000 0.786 311 D N -1.260 119.063 120.400 -0.128 0.000 2.547 311 D HA 0.177 4.817 4.640 -0.000 0.000 0.231 311 D C 0.131 176.215 176.300 -0.359 0.000 1.099 311 D CA -0.660 53.211 54.000 -0.216 0.000 0.901 311 D CB 1.517 42.209 40.800 -0.179 0.000 1.478 311 D HN -0.024 nan 8.370 nan 0.000 0.471 312 E N 0.113 119.926 120.200 -0.645 0.000 2.447 312 E HA 0.043 4.393 4.350 -0.000 0.000 0.259 312 E C 0.199 176.664 176.600 -0.224 0.000 1.196 312 E CA 0.159 56.257 56.400 -0.502 0.000 0.995 312 E CB 0.481 29.947 29.700 -0.389 0.000 0.974 312 E HN 0.255 nan 8.360 nan 0.000 0.465 313 S N 1.928 117.536 115.700 -0.153 0.000 2.544 313 S HA 0.018 4.488 4.470 -0.000 0.000 0.290 313 S C -1.531 173.017 174.600 -0.087 0.000 1.276 313 S CA -1.271 56.869 58.200 -0.100 0.000 1.075 313 S CB 0.604 63.758 63.200 -0.077 0.000 0.849 313 S HN 0.278 nan 8.310 nan 0.000 0.494 314 P HA -0.008 nan 4.420 nan 0.000 0.234 314 P C 0.579 177.839 177.300 -0.068 0.000 1.167 314 P CA 0.263 63.322 63.100 -0.069 0.000 0.763 314 P CB -0.401 31.269 31.700 -0.050 0.000 0.835 315 S N -0.470 115.200 115.700 -0.050 0.000 2.576 315 S HA -0.079 4.391 4.470 -0.000 0.000 0.272 315 S C 1.510 176.033 174.600 -0.128 0.000 1.352 315 S CA -0.199 57.976 58.200 -0.041 0.000 1.021 315 S CB -0.145 63.088 63.200 0.056 0.000 0.887 315 S HN 0.222 nan 8.310 nan 0.000 0.542 316 H N 1.900 120.729 119.070 -0.401 0.000 2.390 316 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 316 H C 0.924 175.948 175.328 -0.507 0.000 1.106 316 H CA 2.384 58.053 56.048 -0.632 0.000 1.297 316 H CB -0.077 29.020 29.762 -1.110 0.000 1.375 316 H HN 0.845 nan 8.280 nan 0.000 0.509 317 W N 0.339 121.572 121.300 -0.111 0.000 3.003 317 W HA 0.011 4.671 4.660 0.000 0.000 0.257 317 W C 2.088 178.626 176.519 0.031 0.000 1.308 317 W CA 0.192 57.517 57.345 -0.034 0.000 1.529 317 W CB -0.128 29.416 29.460 0.141 0.000 1.115 317 W HN 0.329 nan 8.180 nan 0.000 0.659 318 Q N 0.455 120.310 119.800 0.092 0.000 2.302 318 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 318 Q C 2.110 178.099 176.000 -0.018 0.000 0.936 318 Q CA 1.304 57.137 55.803 0.050 0.000 0.886 318 Q CB 0.024 28.756 28.738 -0.010 0.000 0.986 318 Q HN 0.012 nan 8.270 nan 0.000 0.487 319 Q N -0.799 118.926 119.800 -0.125 0.000 2.390 319 Q HA 0.210 4.550 4.340 -0.000 0.000 0.216 319 Q C 0.246 176.083 176.000 -0.273 0.000 0.916 319 Q CA 0.559 56.270 55.803 -0.153 0.000 0.911 319 Q CB 0.639 29.284 28.738 -0.156 0.000 1.035 319 Q HN 0.276 nan 8.270 nan 0.000 0.541 320 N N 1.016 119.363 118.700 -0.587 0.000 2.433 320 N HA 0.163 4.903 4.740 -0.000 0.000 0.270 320 N C -1.255 173.539 175.510 -1.194 0.000 1.354 320 N CA 0.134 52.496 53.050 -1.147 0.000 0.889 320 N CB 1.228 39.143 38.487 -0.953 0.000 1.285 320 N HN 0.060 nan 8.380 nan 0.000 0.503 321 D N -1.113 118.979 120.400 -0.514 0.000 2.755 321 D HA 0.166 4.806 4.640 -0.000 0.000 0.277 321 D C -0.987 175.345 176.300 0.053 0.000 1.261 321 D CA -0.239 53.638 54.000 -0.205 0.000 0.759 321 D CB 0.433 41.040 40.800 -0.321 0.000 1.279 321 D HN -0.023 nan 8.370 nan 0.000 0.420 322 Y N -0.774 119.666 120.300 0.232 0.000 3.234 322 Y HA -0.229 4.321 4.550 0.000 0.000 0.207 322 Y C 0.084 176.040 175.900 0.093 0.000 1.316 322 Y CA 0.785 58.987 58.100 0.169 0.000 1.309 322 Y CB -1.508 37.057 38.460 0.176 0.000 1.408 322 Y HN 0.168 nan 8.280 nan 0.000 0.544 323 K N -0.345 120.135 120.400 0.134 0.000 2.443 323 K HA 0.818 5.138 4.320 -0.000 0.000 0.251 323 K C 0.429 176.788 176.600 -0.402 0.000 0.972 323 K CA -0.651 55.545 56.287 -0.150 0.000 0.833 323 K CB 2.586 34.948 32.500 -0.230 0.000 1.317 323 K HN 0.168 nan 8.250 nan 0.000 0.441 324 G N 1.316 109.791 108.800 -0.543 0.000 2.415 324 G HA2 0.675 4.635 3.960 -0.000 0.000 0.327 324 G HA3 0.675 4.635 3.960 -0.000 0.000 0.327 324 G C -1.160 173.320 174.900 -0.701 0.000 1.182 324 G CA -0.330 44.502 45.100 -0.445 0.000 0.924 324 G HN 0.293 nan 8.290 nan 0.000 0.470 325 F N 0.068 119.947 119.950 -0.119 0.000 2.618 325 F HA 0.624 5.151 4.527 -0.000 0.000 0.332 325 F C 0.892 176.650 175.800 -0.070 0.000 1.061 325 F CA -0.866 57.061 58.000 -0.122 0.000 0.974 325 F CB 1.942 40.820 39.000 -0.203 0.000 1.310 325 F HN 0.434 nan 8.300 nan 0.000 0.491 326 S N 1.458 117.259 115.700 0.169 0.000 2.569 326 S HA 0.103 4.573 4.470 -0.000 0.000 0.274 326 S C -1.594 173.099 174.600 0.154 0.000 1.353 326 S CA -0.953 57.316 58.200 0.115 0.000 1.023 326 S CB 0.600 63.852 63.200 0.088 0.000 0.876 326 S HN 0.369 nan 8.310 nan 0.000 0.540 327 P HA 0.027 nan 4.420 nan 0.000 0.230 327 P C 1.420 178.873 177.300 0.254 0.000 1.158 327 P CA 0.627 63.912 63.100 0.309 0.000 0.769 327 P CB -0.597 31.244 31.700 0.235 0.000 0.807 328 C N -3.093 116.286 119.300 0.133 0.000 2.485 328 C HA 0.161 4.621 4.460 -0.000 0.000 0.277 328 C C 1.196 176.224 174.990 0.062 0.000 1.376 328 C CA -0.381 58.679 59.018 0.071 0.000 1.759 328 C CB -1.282 26.479 27.740 0.035 0.000 1.970 328 C HN -0.067 nan 8.230 nan 0.000 0.509 329 V N 3.130 123.077 119.914 0.055 0.000 2.655 329 V HA 0.312 4.432 4.120 -0.000 0.000 0.300 329 V C -0.019 176.040 176.094 -0.059 0.000 1.044 329 V CA 1.021 63.286 62.300 -0.059 0.000 1.095 329 V CB 0.627 32.342 31.823 -0.181 0.000 0.952 329 V HN 0.526 nan 8.190 nan 0.000 0.485 330 D N 1.897 122.229 120.400 -0.113 0.000 2.687 330 D HA 0.344 4.984 4.640 -0.000 0.000 0.264 330 D C 0.335 176.533 176.300 -0.169 0.000 1.091 330 D CA -0.633 53.320 54.000 -0.078 0.000 1.123 330 D CB 1.131 41.958 40.800 0.045 0.000 1.407 330 D HN 0.410 nan 8.370 nan 0.000 0.591 331 W N 0.015 121.321 121.300 0.009 0.000 2.425 331 W HA -0.072 4.588 4.660 -0.000 0.000 0.277 331 W C 1.629 178.134 176.519 -0.024 0.000 1.231 331 W CA 1.047 58.386 57.345 -0.009 0.000 1.248 331 W CB 0.118 29.595 29.460 0.029 0.000 1.117 331 W HN 0.474 nan 8.180 nan 0.000 0.568 332 D N -1.721 118.791 120.400 0.187 0.000 2.249 332 D HA -0.124 4.516 4.640 -0.000 0.000 0.205 332 D C 1.747 178.063 176.300 0.027 0.000 0.962 332 D CA 1.787 55.848 54.000 0.103 0.000 0.860 332 D CB -1.350 39.497 40.800 0.079 0.000 0.955 332 D HN 0.143 nan 8.370 nan 0.000 0.505 333 T N -2.318 112.217 114.554 -0.032 0.000 3.044 333 T HA 0.120 4.470 4.350 -0.000 0.000 0.250 333 T C 0.917 175.510 174.700 -0.178 0.000 1.081 333 T CA -0.286 61.765 62.100 -0.081 0.000 1.040 333 T CB -0.414 68.412 68.868 -0.070 0.000 0.962 333 T HN 0.061 nan 8.240 nan 0.000 0.506 334 V N 2.942 122.680 119.914 -0.293 0.000 2.557 334 V HA 0.221 4.341 4.120 -0.000 0.000 0.301 334 V C -0.576 175.283 176.094 -0.391 0.000 1.026 334 V CA 0.245 62.194 62.300 -0.584 0.000 1.137 334 V CB 0.406 31.701 31.823 -0.879 0.000 0.917 334 V HN 0.471 nan 8.190 nan 0.000 0.484 335 D N 5.620 125.781 120.400 -0.398 0.000 2.462 335 D HA 0.241 4.881 4.640 -0.000 0.000 0.245 335 D C 0.215 176.497 176.300 -0.030 0.000 1.122 335 D CA -0.272 53.652 54.000 -0.127 0.000 0.864 335 D CB 0.896 41.673 40.800 -0.038 0.000 1.098 335 D HN 0.591 nan 8.370 nan 0.000 0.541 336 Y N 1.938 122.287 120.300 0.081 0.000 2.574 336 Y HA 0.011 4.561 4.550 0.000 0.000 0.294 336 Y C 2.112 178.099 175.900 0.144 0.000 1.142 336 Y CA 0.695 58.923 58.100 0.213 0.000 1.314 336 Y CB 0.303 38.836 38.460 0.123 0.000 0.991 336 Y HN 0.255 nan 8.280 nan 0.000 0.555 337 R N -0.768 119.856 120.500 0.207 0.000 2.299 337 R HA -0.030 4.310 4.340 -0.000 0.000 0.197 337 R C 1.698 178.058 176.300 0.099 0.000 0.971 337 R CA 1.337 57.511 56.100 0.123 0.000 1.030 337 R CB -0.202 30.145 30.300 0.078 0.000 0.932 337 R HN 0.317 nan 8.270 nan 0.000 0.477 338 T N -3.082 111.549 114.554 0.130 0.000 3.086 338 T HA 0.373 4.723 4.350 -0.000 0.000 0.250 338 T C 0.486 175.227 174.700 0.068 0.000 1.074 338 T CA -0.105 62.054 62.100 0.098 0.000 0.988 338 T CB 0.588 69.519 68.868 0.104 0.000 0.988 338 T HN 0.086 nan 8.240 nan 0.000 0.530 339 A N 2.279 125.120 122.820 0.036 0.000 2.454 339 A HA 0.801 5.121 4.320 -0.000 0.000 0.302 339 A C -2.894 174.653 177.584 -0.062 0.000 1.079 339 A CA -2.072 49.907 52.037 -0.096 0.000 0.731 339 A CB 1.288 20.052 19.000 -0.393 0.000 1.299 339 A HN 0.179 nan 8.150 nan 0.000 0.413 340 P HA 0.404 nan 4.420 nan 0.000 0.274 340 P C -0.126 177.165 177.300 -0.015 0.000 1.231 340 P CA 0.039 63.128 63.100 -0.018 0.000 0.790 340 P CB 1.007 32.701 31.700 -0.009 0.000 0.951 341 A N 3.633 126.466 122.820 0.023 0.000 2.488 341 A HA 0.230 4.550 4.320 -0.000 0.000 0.249 341 A C 0.724 178.342 177.584 0.057 0.000 1.083 341 A CA -0.481 51.588 52.037 0.054 0.000 0.768 341 A CB -0.698 18.340 19.000 0.062 0.000 1.017 341 A HN 0.519 nan 8.150 nan 0.000 0.496 342 I N 2.606 123.224 120.570 0.080 0.000 2.741 342 I HA -0.062 4.108 4.170 -0.000 0.000 0.288 342 I C 1.110 177.273 176.117 0.076 0.000 1.192 342 I CA 0.219 61.565 61.300 0.076 0.000 1.426 342 I CB 0.388 38.454 38.000 0.109 0.000 1.367 342 I HN 0.775 nan 8.210 nan 0.000 0.563 343 Q N 4.666 124.509 119.800 0.070 0.000 2.497 343 Q HA 0.258 4.598 4.340 -0.000 0.000 0.180 343 Q C 0.075 176.129 176.000 0.089 0.000 0.778 343 Q CA 0.133 55.980 55.803 0.073 0.000 0.803 343 Q CB -0.040 28.741 28.738 0.072 0.000 1.129 343 Q HN 0.584 nan 8.270 nan 0.000 0.597 344 E N 1.204 121.457 120.200 0.089 0.000 2.390 344 E HA 0.241 4.591 4.350 -0.000 0.000 0.261 344 E C -0.407 176.260 176.600 0.113 0.000 1.076 344 E CA -0.015 56.448 56.400 0.105 0.000 0.905 344 E CB 0.715 30.457 29.700 0.071 0.000 0.984 344 E HN 0.116 nan 8.360 nan 0.000 0.427 345 L N 3.443 124.761 121.223 0.157 0.000 2.352 345 L HA 0.471 4.811 4.340 -0.000 0.000 0.269 345 L C -1.996 174.933 176.870 0.098 0.000 1.034 345 L CA -2.031 52.923 54.840 0.189 0.000 0.806 345 L CB 1.284 43.596 42.059 0.422 0.000 1.244 345 L HN 0.411 nan 8.230 nan 0.000 0.447 346 P HA 0.104 nan 4.420 nan 0.000 0.280 346 P C -0.550 176.797 177.300 0.078 0.000 1.272 346 P CA -0.409 62.727 63.100 0.061 0.000 0.819 346 P CB 1.380 33.121 31.700 0.068 0.000 1.122 347 V N 0.987 120.921 119.914 0.032 0.000 2.814 347 V HA 0.024 4.144 4.120 -0.000 0.000 0.307 347 V C -0.023 176.158 176.094 0.144 0.000 1.089 347 V CA 1.159 63.490 62.300 0.051 0.000 1.212 347 V CB 0.004 31.831 31.823 0.007 0.000 0.912 347 V HN 0.707 nan 8.190 nan 0.000 0.497 348 Q N 4.854 124.784 119.800 0.217 0.000 2.340 348 Q HA 0.713 5.053 4.340 -0.000 0.000 0.276 348 Q C -1.064 175.108 176.000 0.286 0.000 1.048 348 Q CA -0.010 55.959 55.803 0.277 0.000 0.832 348 Q CB 2.462 31.439 28.738 0.398 0.000 1.373 348 Q HN 1.143 nan 8.270 nan 0.000 0.409 349 S N 1.017 116.831 115.700 0.189 0.000 2.615 349 S HA 1.039 5.509 4.470 -0.000 0.000 0.269 349 S C -1.474 173.055 174.600 -0.117 0.000 1.161 349 S CA -0.291 57.952 58.200 0.072 0.000 0.817 349 S CB 1.347 64.588 63.200 0.068 0.000 1.131 349 S HN 1.327 nan 8.310 nan 0.000 0.467 350 A N 0.537 123.124 122.820 -0.388 0.000 2.604 350 A HA 0.729 5.049 4.320 -0.000 0.000 0.295 350 A C -1.290 176.319 177.584 0.042 0.000 1.067 350 A CA -0.717 51.154 52.037 -0.276 0.000 0.683 350 A CB 1.396 19.993 19.000 -0.672 0.000 1.281 350 A HN 1.273 nan 8.150 nan 0.000 0.407 351 V N 2.120 122.330 119.914 0.494 0.000 2.432 351 V HA 0.364 4.484 4.120 -0.000 0.000 0.271 351 V C 1.489 177.663 176.094 0.133 0.000 1.046 351 V CA 0.845 63.330 62.300 0.309 0.000 0.945 351 V CB 0.812 32.806 31.823 0.284 0.000 0.992 351 V HN 1.209 nan 8.190 nan 0.000 0.471 352 T N 0.967 115.476 114.554 -0.075 0.000 3.015 352 T HA 0.152 4.502 4.350 -0.000 0.000 0.250 352 T C 0.434 175.110 174.700 -0.041 0.000 1.057 352 T CA 0.108 62.188 62.100 -0.034 0.000 1.066 352 T CB 0.269 69.091 68.868 -0.078 0.000 0.959 352 T HN 0.579 nan 8.240 nan 0.000 0.488 353 Q N 1.472 121.218 119.800 -0.089 0.000 2.268 353 Q HA 0.441 4.781 4.340 -0.000 0.000 0.266 353 Q C -3.212 172.760 176.000 -0.046 0.000 1.006 353 Q CA -2.138 53.629 55.803 -0.060 0.000 0.824 353 Q CB 2.968 31.655 28.738 -0.085 0.000 1.306 353 Q HN 0.091 nan 8.270 nan 0.000 0.424 354 P HA 0.345 nan 4.420 nan 0.000 0.293 354 P C -0.908 176.401 177.300 0.015 0.000 1.304 354 P CA -0.527 62.572 63.100 -0.003 0.000 0.767 354 P CB 1.105 32.805 31.700 -0.001 0.000 1.247 355 R N -0.532 119.980 120.500 0.020 0.000 2.540 355 R HA 0.461 4.801 4.340 -0.000 0.000 0.287 355 R C -2.179 174.138 176.300 0.028 0.000 0.980 355 R CA -2.188 53.934 56.100 0.037 0.000 0.966 355 R CB -0.396 29.928 30.300 0.040 0.000 1.106 355 R HN 0.366 nan 8.270 nan 0.000 0.480 356 P HA -0.081 nan 4.420 nan 0.000 0.261 356 P C 0.710 178.024 177.300 0.023 0.000 1.173 356 P CA 1.265 64.381 63.100 0.025 0.000 0.760 356 P CB 0.350 32.077 31.700 0.044 0.000 0.783 357 G N 1.854 110.663 108.800 0.015 0.000 2.179 357 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.260 357 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.260 357 G C 0.494 175.401 174.900 0.011 0.000 0.977 357 G CA 0.062 45.171 45.100 0.014 0.000 0.641 357 G HN 0.866 nan 8.290 nan 0.000 0.533 358 A N 0.102 122.929 122.820 0.011 0.000 2.462 358 A HA 0.730 5.050 4.320 -0.000 0.000 0.243 358 A C 0.809 178.395 177.584 0.004 0.000 1.076 358 A CA 1.085 53.127 52.037 0.009 0.000 0.773 358 A CB 0.529 19.534 19.000 0.009 0.000 1.010 358 A HN 2.078 nan 8.150 nan 0.000 0.493 359 A N 2.055 124.877 122.820 0.004 0.000 2.260 359 A HA 0.571 4.891 4.320 -0.000 0.000 0.308 359 A C 0.166 177.751 177.584 0.000 0.000 1.254 359 A CA -0.082 51.956 52.037 0.001 0.000 0.874 359 A CB 0.089 19.090 19.000 0.002 0.000 1.153 359 A HN 2.046 nan 8.150 nan 0.000 0.527 360 V N 0.582 120.495 119.914 -0.002 0.000 2.732 360 V HA 0.761 4.881 4.120 -0.000 0.000 0.310 360 V C -2.875 173.218 176.094 -0.003 0.000 1.053 360 V CA -2.687 59.611 62.300 -0.002 0.000 0.957 360 V CB 1.309 33.130 31.823 -0.004 0.000 1.018 360 V HN 0.636 nan 8.190 nan 0.000 0.452 361 P HA 0.406 nan 4.420 nan 0.000 0.272 361 P C -2.660 174.637 177.300 -0.004 0.000 1.230 361 P CA -1.082 62.017 63.100 -0.003 0.000 0.788 361 P CB -0.260 31.439 31.700 -0.003 0.000 0.949 362 P HA 0.237 nan 4.420 nan 0.000 0.277 362 P C 0.838 178.135 177.300 -0.005 0.000 1.276 362 P CA 0.250 63.347 63.100 -0.005 0.000 0.788 362 P CB 0.092 31.789 31.700 -0.005 0.000 1.114 363 G N -0.658 108.139 108.800 -0.005 0.000 2.779 363 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.284 363 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.284 363 G C -0.615 174.282 174.900 -0.004 0.000 1.326 363 G CA -0.081 45.016 45.100 -0.004 0.000 0.983 363 G HN 0.610 nan 8.290 nan 0.000 0.555 364 E N 0.089 120.287 120.200 -0.003 0.000 2.187 364 E HA 0.607 4.957 4.350 -0.000 0.000 0.268 364 E C -1.220 175.378 176.600 -0.002 0.000 0.896 364 E CA -0.765 55.633 56.400 -0.002 0.000 0.766 364 E CB 2.287 31.986 29.700 -0.001 0.000 1.142 364 E HN 0.462 nan 8.360 nan 0.000 0.408 365 L N 2.400 123.623 121.223 -0.000 0.000 2.333 365 L HA 0.403 4.743 4.340 -0.000 0.000 0.280 365 L C -0.853 176.021 176.870 0.006 0.000 1.004 365 L CA -0.123 54.718 54.840 0.001 0.000 0.820 365 L CB 2.014 44.073 42.059 0.000 0.000 1.247 365 L HN 0.353 nan 8.230 nan 0.000 0.416 366 T N 4.754 119.308 114.554 -0.000 0.000 2.753 366 T HA 0.489 4.839 4.350 -0.000 0.000 0.297 366 T C -0.405 174.290 174.700 -0.010 0.000 0.981 366 T CA -0.281 61.819 62.100 -0.000 0.000 0.956 366 T CB 0.780 69.640 68.868 -0.013 0.000 0.936 366 T HN 0.348 nan 8.240 nan 0.000 0.463 367 V N 5.326 125.253 119.914 0.022 0.000 2.407 367 V HA 0.442 4.562 4.120 -0.000 0.000 0.278 367 V C 0.248 176.281 176.094 -0.101 0.000 1.037 367 V CA -0.617 61.695 62.300 0.019 0.000 0.900 367 V CB 1.165 33.083 31.823 0.158 0.000 0.983 367 V HN 0.718 nan 8.190 nan 0.000 0.459 368 K N 2.581 122.788 120.400 -0.322 0.000 2.328 368 K HA 0.870 5.190 4.320 -0.000 0.000 0.246 368 K C 0.071 175.979 176.600 -1.155 0.000 0.955 368 K CA -0.538 55.351 56.287 -0.663 0.000 0.817 368 K CB 2.587 34.850 32.500 -0.396 0.000 1.208 368 K HN 0.887 nan 8.250 nan 0.000 0.432 369 G N 0.551 108.178 108.800 -1.954 0.000 2.634 369 G HA2 0.474 4.434 3.960 -0.000 0.000 0.309 369 G HA3 0.474 4.434 3.960 -0.000 0.000 0.309 369 G C -2.094 172.114 174.900 -1.154 0.000 1.299 369 G CA -0.617 43.534 45.100 -1.581 0.000 0.798 369 G HN 0.544 nan 8.290 nan 0.000 0.490 370 Y N -1.893 118.243 120.300 -0.273 0.000 2.605 370 Y HA 0.909 5.459 4.550 0.000 0.000 0.343 370 Y C -0.215 175.967 175.900 0.471 0.000 1.036 370 Y CA -1.551 56.526 58.100 -0.039 0.000 1.065 370 Y CB 1.687 39.979 38.460 -0.280 0.000 1.288 370 Y HN 1.246 nan 8.280 nan 0.000 0.481 371 A N 1.197 124.424 122.820 0.680 0.000 2.594 371 A HA 0.747 5.067 4.320 -0.000 0.000 0.295 371 A C -2.289 175.695 177.584 0.668 0.000 1.071 371 A CA -0.577 51.796 52.037 0.561 0.000 0.685 371 A CB 1.287 20.469 19.000 0.304 0.000 1.285 371 A HN 1.093 nan 8.150 nan 0.000 0.405 372 W N 0.589 122.088 121.300 0.331 0.000 3.146 372 W HA 0.656 5.316 4.660 -0.000 0.000 0.319 372 W C -1.044 175.576 176.519 0.167 0.000 1.258 372 W CA 0.124 57.630 57.345 0.269 0.000 1.189 372 W CB 1.639 31.277 29.460 0.297 0.000 1.412 372 W HN 1.036 nan 8.180 nan 0.000 0.567 373 S N 1.534 116.700 115.700 -0.890 0.000 2.546 373 S HA 0.690 5.160 4.470 -0.000 0.000 0.274 373 S C -0.074 173.608 174.600 -1.530 0.000 1.121 373 S CA -0.082 57.604 58.200 -0.856 0.000 0.887 373 S CB 0.997 63.954 63.200 -0.404 0.000 1.094 373 S HN 0.995 nan 8.310 nan 0.000 0.474 374 G N 0.805 109.031 108.800 -0.957 0.000 2.631 374 G HA2 0.453 4.413 3.960 -0.000 0.000 0.271 374 G HA3 0.453 4.413 3.960 -0.000 0.000 0.271 374 G C 1.123 175.865 174.900 -0.263 0.000 1.302 374 G CA 0.254 45.027 45.100 -0.546 0.000 1.002 374 G HN 1.904 nan 8.290 nan 0.000 0.519 375 G N -2.174 106.629 108.800 0.005 0.000 2.179 375 G HA2 0.177 4.137 3.960 -0.000 0.000 0.260 375 G HA3 0.177 4.137 3.960 -0.000 0.000 0.260 375 G C 1.594 176.516 174.900 0.037 0.000 0.977 375 G CA 1.056 46.189 45.100 0.055 0.000 0.641 375 G HN 2.573 nan 8.290 nan 0.000 0.533 376 G N -0.952 107.851 108.800 0.006 0.000 2.166 376 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 376 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 376 G C 0.418 175.065 174.900 -0.421 0.000 0.986 376 G CA 1.120 45.918 45.100 -0.503 0.000 0.683 376 G HN 1.053 nan 8.290 nan 0.000 0.527 377 R N 0.814 121.137 120.500 -0.295 0.000 2.347 377 R HA 0.346 4.686 4.340 -0.000 0.000 0.304 377 R C 0.655 176.792 176.300 -0.272 0.000 1.072 377 R CA -0.249 55.697 56.100 -0.258 0.000 0.980 377 R CB 0.754 30.928 30.300 -0.210 0.000 0.986 377 R HN 0.579 nan 8.270 nan 0.000 0.448 378 E N 2.404 122.471 120.200 -0.221 0.000 2.398 378 E HA 0.029 4.379 4.350 -0.000 0.000 0.263 378 E C -0.672 175.835 176.600 -0.155 0.000 1.046 378 E CA -0.405 55.893 56.400 -0.169 0.000 0.908 378 E CB 0.890 30.505 29.700 -0.143 0.000 0.963 378 E HN 0.201 nan 8.360 nan 0.000 0.431 379 V N 5.546 125.406 119.914 -0.091 0.000 2.455 379 V HA -0.001 4.119 4.120 -0.000 0.000 0.273 379 V C 1.060 177.099 176.094 -0.090 0.000 1.045 379 V CA 0.117 62.373 62.300 -0.073 0.000 0.976 379 V CB 0.969 32.808 31.823 0.026 0.000 0.993 379 V HN 0.704 nan 8.190 nan 0.000 0.475 380 V N 2.730 122.554 119.914 -0.150 0.000 3.643 380 V HA 0.511 4.631 4.120 -0.000 0.000 0.280 380 V C 0.601 176.621 176.094 -0.123 0.000 1.351 380 V CA 0.266 62.473 62.300 -0.154 0.000 1.073 380 V CB -0.194 31.481 31.823 -0.247 0.000 0.863 380 V HN 0.806 nan 8.190 nan 0.000 0.436 381 R N -0.655 119.768 120.500 -0.128 0.000 2.725 381 R HA 0.623 4.963 4.340 -0.000 0.000 0.254 381 R C -2.402 173.789 176.300 -0.181 0.000 1.076 381 R CA -0.354 55.668 56.100 -0.129 0.000 0.940 381 R CB 2.555 32.782 30.300 -0.122 0.000 1.260 381 R HN 0.082 nan 8.270 nan 0.000 0.466 382 V N 3.544 123.322 119.914 -0.227 0.000 2.525 382 V HA 0.340 4.460 4.120 -0.000 0.000 0.299 382 V C -0.877 175.000 176.094 -0.362 0.000 1.034 382 V CA -0.898 61.174 62.300 -0.379 0.000 0.863 382 V CB 1.923 33.349 31.823 -0.661 0.000 0.999 382 V HN 0.668 nan 8.190 nan 0.000 0.423 383 D N 3.412 123.594 120.400 -0.364 0.000 2.210 383 D HA 0.593 5.233 4.640 -0.000 0.000 0.249 383 D C -0.500 175.747 176.300 -0.088 0.000 1.062 383 D CA -0.144 53.727 54.000 -0.214 0.000 0.891 383 D CB 2.688 43.264 40.800 -0.373 0.000 1.186 383 D HN 0.248 nan 8.370 nan 0.000 0.432 384 V N 0.906 120.868 119.914 0.080 0.000 2.656 384 V HA 0.452 4.572 4.120 -0.000 0.000 0.307 384 V C -0.032 176.049 176.094 -0.021 0.000 1.051 384 V CA -0.637 61.682 62.300 0.032 0.000 0.893 384 V CB 2.041 33.820 31.823 -0.073 0.000 0.999 384 V HN 0.545 nan 8.190 nan 0.000 0.426 385 S N 3.124 118.647 115.700 -0.296 0.000 2.536 385 S HA 0.689 5.159 4.470 -0.000 0.000 0.298 385 S C 0.235 174.641 174.600 -0.325 0.000 1.083 385 S CA -0.648 57.200 58.200 -0.588 0.000 0.995 385 S CB 1.578 63.986 63.200 -1.320 0.000 1.058 385 S HN 0.618 nan 8.310 nan 0.000 0.488 386 L N 1.926 122.986 121.223 -0.272 0.000 2.638 386 L HA 0.312 4.652 4.340 -0.000 0.000 0.232 386 L C 0.060 176.831 176.870 -0.165 0.000 1.099 386 L CA 0.160 54.900 54.840 -0.166 0.000 0.883 386 L CB 0.012 42.001 42.059 -0.117 0.000 1.136 386 L HN 0.677 nan 8.230 nan 0.000 0.492 387 D N -0.871 119.391 120.400 -0.229 0.000 2.891 387 D HA 0.272 4.912 4.640 -0.000 0.000 0.312 387 D C 1.137 177.326 176.300 -0.186 0.000 1.354 387 D CA -0.038 53.856 54.000 -0.176 0.000 0.838 387 D CB 0.444 41.150 40.800 -0.156 0.000 1.117 387 D HN 0.106 nan 8.370 nan 0.000 0.473 388 G N -0.288 108.400 108.800 -0.186 0.000 2.155 388 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.257 388 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.257 388 G C 1.062 175.901 174.900 -0.102 0.000 0.983 388 G CA 0.138 45.181 45.100 -0.095 0.000 0.676 388 G HN 1.535 nan 8.290 nan 0.000 0.528 389 G N -1.384 107.177 108.800 -0.399 0.000 2.145 389 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.176 389 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.176 389 G C 0.802 175.544 174.900 -0.263 0.000 1.013 389 G CA 0.893 45.656 45.100 -0.563 0.000 0.689 389 G HN 1.006 nan 8.290 nan 0.000 0.506 390 R N -0.250 120.058 120.500 -0.320 0.000 2.175 390 R HA 0.241 4.581 4.340 -0.000 0.000 0.202 390 R C 1.129 177.307 176.300 -0.202 0.000 1.018 390 R CA 1.296 57.318 56.100 -0.130 0.000 1.029 390 R CB 0.190 30.442 30.300 -0.079 0.000 0.959 390 R HN 0.660 nan 8.270 nan 0.000 0.480 391 T N -2.009 112.273 114.554 -0.454 0.000 2.900 391 T HA 0.548 4.898 4.350 -0.000 0.000 0.295 391 T C -1.311 173.005 174.700 -0.640 0.000 1.044 391 T CA -0.883 61.017 62.100 -0.334 0.000 0.995 391 T CB 1.771 70.536 68.868 -0.171 0.000 1.072 391 T HN 0.167 nan 8.240 nan 0.000 0.473 392 W N 0.880 122.126 121.300 -0.091 0.000 2.962 392 W HA 0.718 5.378 4.660 -0.000 0.000 0.341 392 W C -0.539 175.921 176.519 -0.098 0.000 1.155 392 W CA -0.892 56.378 57.345 -0.125 0.000 1.165 392 W CB 2.048 31.413 29.460 -0.158 0.000 1.435 392 W HN 0.866 nan 8.180 nan 0.000 0.546 393 K N 0.090 120.584 120.400 0.157 0.000 2.532 393 K HA 0.719 5.039 4.320 -0.000 0.000 0.265 393 K C -1.532 175.091 176.600 0.039 0.000 0.948 393 K CA -1.131 55.197 56.287 0.068 0.000 0.842 393 K CB 1.996 34.511 32.500 0.025 0.000 1.392 393 K HN 0.176 nan 8.250 nan 0.000 0.436 394 V N 1.707 121.625 119.914 0.007 0.000 2.432 394 V HA 0.323 4.443 4.120 -0.000 0.000 0.271 394 V C 0.442 176.522 176.094 -0.023 0.000 1.046 394 V CA -0.473 61.809 62.300 -0.030 0.000 0.945 394 V CB 0.763 32.571 31.823 -0.025 0.000 0.992 394 V HN 0.927 nan 8.190 nan 0.000 0.471 395 A N 5.737 128.522 122.820 -0.059 0.000 2.296 395 A HA 0.575 4.895 4.320 -0.000 0.000 0.264 395 A C 0.432 178.046 177.584 0.050 0.000 1.097 395 A CA -0.443 51.605 52.037 0.018 0.000 0.811 395 A CB 0.307 19.307 19.000 -0.000 0.000 1.072 395 A HN 0.887 nan 8.150 nan 0.000 0.495 396 R N 0.780 121.346 120.500 0.109 0.000 2.297 396 R HA 0.514 4.854 4.340 -0.000 0.000 0.308 396 R C -1.419 174.955 176.300 0.123 0.000 1.029 396 R CA -0.384 55.767 56.100 0.085 0.000 0.929 396 R CB 0.264 30.603 30.300 0.066 0.000 1.046 396 R HN 0.630 nan 8.270 nan 0.000 0.461 397 L N 5.385 126.658 121.223 0.082 0.000 2.264 397 L HA 0.341 4.681 4.340 -0.000 0.000 0.289 397 L C -0.092 176.811 176.870 0.055 0.000 1.044 397 L CA -0.768 54.130 54.840 0.097 0.000 0.807 397 L CB 1.370 43.469 42.059 0.068 0.000 1.192 397 L HN 0.615 nan 8.230 nan 0.000 0.425 398 M N 2.070 121.700 119.600 0.050 0.000 2.283 398 M HA 0.721 5.201 4.480 -0.000 0.000 0.314 398 M C 0.514 176.795 176.300 -0.032 0.000 1.153 398 M CA 0.226 55.522 55.300 -0.006 0.000 1.084 398 M CB 1.673 34.259 32.600 -0.024 0.000 1.468 398 M HN 0.706 nan 8.290 nan 0.000 0.474 399 G N 0.950 109.679 108.800 -0.119 0.000 2.555 399 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.686 399 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.686 399 G C -1.864 172.946 174.900 -0.151 0.000 1.275 399 G CA -1.048 43.914 45.100 -0.230 0.000 0.871 399 G HN 0.674 nan 8.290 nan 0.000 0.603 400 D N 0.465 120.760 120.400 -0.175 0.000 2.185 400 D HA 0.361 5.001 4.640 -0.000 0.000 0.247 400 D C 0.342 176.618 176.300 -0.041 0.000 1.027 400 D CA -0.625 53.320 54.000 -0.092 0.000 0.861 400 D CB 2.247 42.992 40.800 -0.092 0.000 1.202 400 D HN 0.603 nan 8.370 nan 0.000 0.453 401 K N 0.939 121.323 120.400 -0.028 0.000 2.489 401 K HA 0.240 4.560 4.320 -0.000 0.000 0.278 401 K C -0.444 176.147 176.600 -0.016 0.000 1.000 401 K CA -0.162 56.113 56.287 -0.020 0.000 1.012 401 K CB 0.587 33.071 32.500 -0.026 0.000 0.903 401 K HN 0.514 nan 8.250 nan 0.000 0.485 402 A N 5.416 128.223 122.820 -0.022 0.000 2.248 402 A HA 0.570 4.890 4.320 -0.000 0.000 0.316 402 A C -2.373 175.173 177.584 -0.063 0.000 1.101 402 A CA -1.589 50.428 52.037 -0.032 0.000 0.875 402 A CB 0.207 19.176 19.000 -0.052 0.000 1.207 402 A HN 0.640 nan 8.150 nan 0.000 0.504 403 P HA 0.226 nan 4.420 nan 0.000 0.270 403 P C -2.475 174.759 177.300 -0.110 0.000 1.227 403 P CA -0.706 62.356 63.100 -0.064 0.000 0.788 403 P CB -0.410 31.267 31.700 -0.038 0.000 0.926 404 P HA 0.002 nan 4.420 nan 0.000 0.268 404 P C 0.863 178.071 177.300 -0.154 0.000 1.208 404 P CA 0.738 63.773 63.100 -0.109 0.000 0.777 404 P CB 0.083 31.742 31.700 -0.070 0.000 0.875 405 G N 2.352 111.037 108.800 -0.191 0.000 2.186 405 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.266 405 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.266 405 G C 0.589 175.194 174.900 -0.490 0.000 0.982 405 G CA 0.324 45.277 45.100 -0.244 0.000 0.670 405 G HN 0.639 nan 8.290 nan 0.000 0.533 406 R N -0.551 119.588 120.500 -0.602 0.000 2.668 406 R HA 0.513 4.853 4.340 -0.000 0.000 0.435 406 R C 0.790 176.402 176.300 -1.148 0.000 1.059 406 R CA 0.252 55.673 56.100 -1.132 0.000 1.073 406 R CB 0.858 30.844 30.300 -0.524 0.000 1.401 406 R HN 0.469 nan 8.270 nan 0.000 0.590 407 A N 0.716 123.091 122.820 -0.743 0.000 2.990 407 A HA 0.091 4.411 4.320 -0.000 0.000 0.282 407 A C 0.131 177.596 177.584 -0.199 0.000 1.688 407 A CA -0.535 51.289 52.037 -0.355 0.000 1.391 407 A CB -0.736 18.137 19.000 -0.212 0.000 1.112 407 A HN 0.605 nan 8.150 nan 0.000 0.588 408 W N 1.881 123.275 121.300 0.156 0.000 2.800 408 W HA 0.315 4.975 4.660 0.001 0.000 0.249 408 W C 1.122 177.890 176.519 0.416 0.000 1.294 408 W CA 0.257 57.757 57.345 0.258 0.000 1.402 408 W CB 0.221 29.798 29.460 0.195 0.000 1.126 408 W HN 0.637 nan 8.180 nan 0.000 0.652 409 A N 0.836 123.975 122.820 0.531 0.000 2.306 409 A HA 0.537 4.857 4.320 -0.000 0.000 0.330 409 A C -0.495 177.510 177.584 0.702 0.000 1.146 409 A CA -0.884 51.435 52.037 0.469 0.000 0.827 409 A CB 0.182 19.450 19.000 0.446 0.000 1.178 409 A HN 0.202 nan 8.150 nan 0.000 0.490 410 W N 0.744 122.294 121.300 0.416 0.000 2.079 410 W HA 0.548 5.208 4.660 0.000 0.000 0.354 410 W C 0.058 176.824 176.519 0.411 0.000 1.302 410 W CA -1.178 56.445 57.345 0.463 0.000 1.281 410 W CB -0.583 29.009 29.460 0.219 0.000 1.165 410 W HN 0.860 nan 8.180 nan 0.000 0.603 411 A N 3.017 126.174 122.820 0.561 0.000 2.305 411 A HA 0.713 5.033 4.320 -0.000 0.000 0.322 411 A C -0.748 176.951 177.584 0.191 0.000 1.187 411 A CA -0.961 51.283 52.037 0.345 0.000 0.825 411 A CB 0.292 19.456 19.000 0.273 0.000 1.164 411 A HN 0.694 nan 8.150 nan 0.000 0.498 412 L N 3.395 124.650 121.223 0.053 0.000 2.307 412 L HA 0.568 4.908 4.340 -0.000 0.000 0.282 412 L C -0.212 176.683 176.870 0.042 0.000 1.051 412 L CA -0.623 54.150 54.840 -0.112 0.000 0.804 412 L CB 0.997 42.913 42.059 -0.237 0.000 1.197 412 L HN 0.884 nan 8.230 nan 0.000 0.431 413 W N 2.713 123.977 121.300 -0.060 0.000 2.882 413 W HA 0.754 5.414 4.660 0.000 0.000 0.345 413 W C -1.061 175.433 176.519 -0.042 0.000 1.125 413 W CA -0.828 56.493 57.345 -0.040 0.000 1.167 413 W CB 1.452 30.895 29.460 -0.030 0.000 1.431 413 W HN 0.646 nan 8.180 nan 0.000 0.543 414 E N 1.088 121.446 120.200 0.264 0.000 2.392 414 E HA 0.715 5.065 4.350 -0.000 0.000 0.279 414 E C -2.339 174.396 176.600 0.226 0.000 0.964 414 E CA -1.140 55.346 56.400 0.142 0.000 0.777 414 E CB 2.754 32.441 29.700 -0.022 0.000 1.249 414 E HN 0.383 nan 8.360 nan 0.000 0.449 415 L N 1.025 122.362 121.223 0.190 0.000 2.596 415 L HA 0.391 4.731 4.340 -0.000 0.000 0.265 415 L C -1.508 175.412 176.870 0.084 0.000 0.962 415 L CA 0.107 55.032 54.840 0.142 0.000 0.891 415 L CB 2.342 44.505 42.059 0.173 0.000 1.248 415 L HN 0.712 nan 8.230 nan 0.000 0.410 416 T N 4.811 119.394 114.554 0.049 0.000 2.729 416 T HA 0.657 5.007 4.350 -0.000 0.000 0.296 416 T C -0.124 174.589 174.700 0.022 0.000 0.928 416 T CA -0.137 61.980 62.100 0.028 0.000 1.045 416 T CB 0.708 69.586 68.868 0.016 0.000 0.902 416 T HN 0.558 nan 8.240 nan 0.000 0.500 417 V N 1.642 121.565 119.914 0.016 0.000 3.160 417 V HA 0.831 4.951 4.120 -0.000 0.000 0.310 417 V C -2.859 173.235 176.094 -0.000 0.000 1.181 417 V CA -3.126 59.178 62.300 0.007 0.000 1.047 417 V CB 1.970 33.796 31.823 0.004 0.000 1.068 417 V HN 0.498 nan 8.190 nan 0.000 0.441 418 P HA 0.474 nan 4.420 nan 0.000 0.285 418 P C -0.797 176.496 177.300 -0.012 0.000 1.259 418 P CA -0.180 62.915 63.100 -0.008 0.000 0.794 418 P CB 1.515 33.210 31.700 -0.008 0.000 0.940 419 V N 0.088 119.996 119.914 -0.010 0.000 2.709 419 V HA 0.540 4.660 4.120 -0.000 0.000 0.308 419 V C -0.204 175.883 176.094 -0.012 0.000 1.062 419 V CA -0.939 61.354 62.300 -0.013 0.000 0.901 419 V CB 2.289 34.105 31.823 -0.011 0.000 1.003 419 V HN 0.313 nan 8.190 nan 0.000 0.425 420 E N 2.392 122.584 120.200 -0.013 0.000 2.283 420 E HA 0.603 4.953 4.350 -0.000 0.000 0.271 420 E C 0.420 177.014 176.600 -0.010 0.000 1.031 420 E CA -0.363 56.030 56.400 -0.011 0.000 0.868 420 E CB 1.919 31.611 29.700 -0.013 0.000 1.094 420 E HN 1.137 nan 8.360 nan 0.000 0.401 421 A N 0.947 123.762 122.820 -0.008 0.000 2.566 421 A HA 0.331 4.651 4.320 -0.000 0.000 0.245 421 A C 1.118 178.697 177.584 -0.007 0.000 1.056 421 A CA 0.807 52.840 52.037 -0.007 0.000 0.757 421 A CB -0.742 18.255 19.000 -0.005 0.000 0.979 421 A HN 0.792 nan 8.150 nan 0.000 0.508 422 G N 3.073 111.869 108.800 -0.007 0.000 2.366 422 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.299 422 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.299 422 G C 0.360 175.255 174.900 -0.009 0.000 1.020 422 G CA 0.919 46.015 45.100 -0.007 0.000 1.026 422 G HN 2.012 nan 8.290 nan 0.000 0.512 423 T N -2.745 111.802 114.554 -0.011 0.000 2.937 423 T HA 0.776 5.126 4.350 -0.000 0.000 0.283 423 T C -0.423 174.269 174.700 -0.014 0.000 1.012 423 T CA -0.922 61.170 62.100 -0.014 0.000 0.997 423 T CB 2.731 71.588 68.868 -0.018 0.000 1.136 423 T HN 0.137 nan 8.240 nan 0.000 0.551 424 E N 0.736 120.926 120.200 -0.017 0.000 2.199 424 E HA 0.526 4.876 4.350 -0.000 0.000 0.269 424 E C -0.963 175.622 176.600 -0.026 0.000 0.899 424 E CA -0.586 55.803 56.400 -0.018 0.000 0.772 424 E CB 2.289 31.981 29.700 -0.015 0.000 1.155 424 E HN 0.555 nan 8.360 nan 0.000 0.408 425 L N 1.531 122.738 121.223 -0.027 0.000 2.362 425 L HA 0.452 4.792 4.340 -0.000 0.000 0.271 425 L C -0.061 176.785 176.870 -0.040 0.000 1.002 425 L CA -0.787 54.030 54.840 -0.039 0.000 0.818 425 L CB 2.104 44.141 42.059 -0.037 0.000 1.298 425 L HN 0.452 nan 8.230 nan 0.000 0.420 426 E N 3.274 123.441 120.200 -0.055 0.000 2.145 426 E HA 0.478 4.828 4.350 -0.000 0.000 0.262 426 E C -1.292 175.260 176.600 -0.080 0.000 0.883 426 E CA -0.474 55.894 56.400 -0.054 0.000 0.748 426 E CB 1.316 30.991 29.700 -0.043 0.000 1.140 426 E HN 0.476 nan 8.360 nan 0.000 0.417 427 I N 5.092 125.620 120.570 -0.070 0.000 2.321 427 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 427 I C -0.659 175.417 176.117 -0.068 0.000 0.998 427 I CA -0.928 60.330 61.300 -0.071 0.000 1.227 427 I CB 1.414 39.398 38.000 -0.028 0.000 1.368 427 I HN 0.314 nan 8.210 nan 0.000 0.466 428 V N 5.654 125.512 119.914 -0.092 0.000 2.680 428 V HA 0.497 4.617 4.120 -0.000 0.000 0.309 428 V C -0.140 175.963 176.094 0.015 0.000 1.052 428 V CA -0.648 61.636 62.300 -0.028 0.000 0.908 428 V CB 1.882 33.658 31.823 -0.077 0.000 1.001 428 V HN 0.978 nan 8.190 nan 0.000 0.431 429 C N 3.293 122.622 119.300 0.050 0.000 2.802 429 C HA 1.034 5.494 4.460 -0.000 0.000 0.307 429 C C -0.839 174.053 174.990 -0.165 0.000 1.222 429 C CA -0.914 58.049 59.018 -0.092 0.000 1.580 429 C CB 1.498 29.085 27.740 -0.255 0.000 2.119 429 C HN 1.113 nan 8.230 nan 0.000 0.479 430 K N 1.819 122.010 120.400 -0.348 0.000 2.557 430 K HA 0.805 5.125 4.320 -0.000 0.000 0.261 430 K C -1.284 175.118 176.600 -0.331 0.000 0.932 430 K CA -0.351 55.728 56.287 -0.346 0.000 0.829 430 K CB 1.687 33.786 32.500 -0.668 0.000 1.358 430 K HN 1.386 nan 8.250 nan 0.000 0.430 431 A N 1.782 124.494 122.820 -0.179 0.000 2.380 431 A HA 0.788 5.108 4.320 -0.000 0.000 0.315 431 A C -1.142 176.372 177.584 -0.117 0.000 1.101 431 A CA -0.834 51.108 52.037 -0.158 0.000 0.771 431 A CB 1.852 20.808 19.000 -0.072 0.000 1.287 431 A HN 0.401 nan 8.150 nan 0.000 0.436 432 V N 2.380 122.213 119.914 -0.135 0.000 2.638 432 V HA 0.449 4.569 4.120 -0.000 0.000 0.306 432 V C -0.825 175.160 176.094 -0.182 0.000 1.052 432 V CA -0.628 61.593 62.300 -0.132 0.000 0.885 432 V CB 1.800 33.542 31.823 -0.135 0.000 0.999 432 V HN 1.125 nan 8.190 nan 0.000 0.424 433 D N 2.470 122.754 120.400 -0.193 0.000 2.549 433 D HA 0.269 4.909 4.640 -0.000 0.000 0.270 433 D C 1.295 177.385 176.300 -0.351 0.000 1.181 433 D CA 0.082 53.944 54.000 -0.230 0.000 1.070 433 D CB 1.166 41.859 40.800 -0.178 0.000 1.154 433 D HN 0.416 nan 8.370 nan 0.000 0.602 434 S N -1.076 114.452 115.700 -0.288 0.000 2.447 434 S HA -0.157 4.312 4.470 -0.000 0.000 0.233 434 S C 1.609 176.070 174.600 -0.232 0.000 1.006 434 S CA 1.018 59.038 58.200 -0.300 0.000 0.957 434 S CB -0.888 62.194 63.200 -0.197 0.000 0.773 434 S HN 0.569 nan 8.310 nan 0.000 0.507 435 S N -0.722 114.889 115.700 -0.148 0.000 2.575 435 S HA 0.186 4.656 4.470 -0.000 0.000 0.215 435 S C 0.336 174.999 174.600 0.106 0.000 0.966 435 S CA -0.319 57.875 58.200 -0.010 0.000 0.911 435 S CB -0.962 62.228 63.200 -0.017 0.000 0.780 435 S HN 0.495 nan 8.310 nan 0.000 0.514 436 Y N 0.410 120.680 120.300 -0.049 0.000 4.490 436 Y HA -0.238 4.312 4.550 0.000 0.000 0.233 436 Y C 0.176 176.051 175.900 -0.040 0.000 1.101 436 Y CA 0.267 58.339 58.100 -0.047 0.000 2.010 436 Y CB -2.782 35.653 38.460 -0.043 0.000 1.622 436 Y HN 0.429 nan 8.280 nan 0.000 0.675 437 N N -0.068 118.656 118.700 0.041 0.000 2.441 437 N HA 0.419 5.159 4.740 -0.000 0.000 0.251 437 N C 0.116 175.636 175.510 0.016 0.000 1.242 437 N CA 0.408 53.474 53.050 0.027 0.000 0.898 437 N CB 0.901 39.389 38.487 0.001 0.000 1.100 437 N HN 0.213 nan 8.380 nan 0.000 0.443 438 V N -0.897 119.038 119.914 0.035 0.000 3.164 438 V HA 0.523 4.643 4.120 -0.000 0.000 0.313 438 V C -0.737 175.403 176.094 0.077 0.000 1.188 438 V CA -0.971 61.353 62.300 0.041 0.000 1.058 438 V CB 1.837 33.689 31.823 0.049 0.000 1.110 438 V HN 0.530 nan 8.190 nan 0.000 0.453 439 Q N 1.544 121.428 119.800 0.141 0.000 2.309 439 Q HA 0.580 4.920 4.340 -0.000 0.000 0.264 439 Q C -2.662 173.470 176.000 0.221 0.000 1.008 439 Q CA -1.941 53.982 55.803 0.200 0.000 0.853 439 Q CB 2.348 31.259 28.738 0.289 0.000 1.314 439 Q HN 0.690 nan 8.270 nan 0.000 0.448 440 P HA 0.078 nan 4.420 nan 0.000 0.276 440 P C -0.598 176.323 177.300 -0.632 0.000 1.244 440 P CA -0.212 62.799 63.100 -0.148 0.000 0.801 440 P CB 1.002 32.644 31.700 -0.098 0.000 1.006 441 D N -0.138 119.754 120.400 -0.846 0.000 2.084 441 D HA -0.093 4.547 4.640 -0.000 0.000 0.194 441 D C 1.048 176.773 176.300 -0.959 0.000 0.990 441 D CA 1.773 54.790 54.000 -1.637 0.000 0.826 441 D CB -0.291 39.927 40.800 -0.971 0.000 0.971 441 D HN 0.513 nan 8.370 nan 0.000 0.453 442 S N -1.450 113.980 115.700 -0.450 0.000 2.709 442 S HA 0.498 4.968 4.470 -0.000 0.000 0.302 442 S C 0.747 175.295 174.600 -0.086 0.000 1.127 442 S CA -0.801 57.274 58.200 -0.207 0.000 0.905 442 S CB 2.011 65.126 63.200 -0.142 0.000 1.151 442 S HN -0.103 nan 8.310 nan 0.000 0.510 443 V N 0.606 120.519 119.914 -0.001 0.000 2.825 443 V HA 0.172 4.292 4.120 -0.000 0.000 0.246 443 V C 2.896 179.057 176.094 0.112 0.000 1.068 443 V CA 1.142 63.484 62.300 0.070 0.000 1.088 443 V CB -1.618 30.275 31.823 0.116 0.000 0.733 443 V HN 0.997 nan 8.190 nan 0.000 0.468 444 A N 1.331 124.198 122.820 0.079 0.000 1.917 444 A HA -0.154 4.165 4.320 -0.000 0.000 0.219 444 A C 0.441 178.093 177.584 0.112 0.000 1.182 444 A CA 2.400 54.488 52.037 0.085 0.000 0.633 444 A CB -1.871 17.136 19.000 0.011 0.000 0.819 444 A HN 0.567 nan 8.150 nan 0.000 0.448 445 P HA 0.031 nan 4.420 nan 0.000 0.241 445 P C 0.904 178.254 177.300 0.084 0.000 1.191 445 P CA 0.623 63.757 63.100 0.057 0.000 0.771 445 P CB -0.083 31.623 31.700 0.011 0.000 0.929 446 I N -6.893 113.739 120.570 0.105 0.000 3.914 446 I HA 0.355 4.525 4.170 -0.000 0.000 0.333 446 I C 0.184 176.395 176.117 0.157 0.000 1.449 446 I CA -0.912 60.449 61.300 0.102 0.000 1.135 446 I CB -0.388 37.649 38.000 0.061 0.000 1.073 446 I HN -0.203 nan 8.210 nan 0.000 0.401 447 W N 4.384 125.694 121.300 0.016 0.000 2.158 447 W HA 0.292 4.952 4.660 0.000 0.000 0.339 447 W C -0.141 176.393 176.519 0.025 0.000 1.294 447 W CA 0.304 57.664 57.345 0.026 0.000 1.231 447 W CB 0.575 30.047 29.460 0.021 0.000 1.143 447 W HN 0.449 nan 8.180 nan 0.000 0.571 448 N N 4.353 122.643 118.700 -0.684 0.000 2.264 448 N HA 0.223 4.963 4.740 -0.000 0.000 0.288 448 N C 0.398 175.150 175.510 -1.264 0.000 1.094 448 N CA -0.701 51.970 53.050 -0.632 0.000 0.817 448 N CB 1.255 39.602 38.487 -0.233 0.000 1.604 448 N HN 0.593 nan 8.380 nan 0.000 0.473 449 L N -1.355 119.297 121.223 -0.953 0.000 2.351 449 L HA -0.011 4.329 4.340 -0.000 0.000 0.220 449 L C 1.673 178.214 176.870 -0.549 0.000 1.127 449 L CA 1.230 55.566 54.840 -0.840 0.000 0.786 449 L CB -0.075 41.542 42.059 -0.737 0.000 0.914 449 L HN 0.738 nan 8.230 nan 0.000 0.443 450 R N 0.280 120.534 120.500 -0.410 0.000 2.365 450 R HA 0.192 4.532 4.340 -0.000 0.000 0.223 450 R C 1.288 177.540 176.300 -0.079 0.000 0.899 450 R CA 0.640 56.664 56.100 -0.126 0.000 1.059 450 R CB 0.361 30.648 30.300 -0.022 0.000 1.086 450 R HN 0.520 nan 8.270 nan 0.000 0.522 451 G N 1.309 109.969 108.800 -0.235 0.000 2.143 451 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 451 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 451 G C 0.136 175.025 174.900 -0.018 0.000 0.991 451 G CA 0.447 45.462 45.100 -0.141 0.000 0.689 451 G HN 0.350 nan 8.290 nan 0.000 0.522 452 V N -2.376 117.531 119.914 -0.012 0.000 3.295 452 V HA 0.783 4.903 4.120 -0.000 0.000 0.308 452 V C 1.635 177.746 176.094 0.029 0.000 1.068 452 V CA -0.348 61.987 62.300 0.058 0.000 1.062 452 V CB 1.260 33.144 31.823 0.101 0.000 1.162 452 V HN 1.186 nan 8.190 nan 0.000 0.456 453 L N -0.167 121.091 121.223 0.058 0.000 3.632 453 L HA -0.142 4.198 4.340 -0.000 0.000 0.510 453 L C 0.442 177.345 176.870 0.054 0.000 1.299 453 L CA 0.920 55.792 54.840 0.055 0.000 0.829 453 L CB -1.644 40.434 42.059 0.032 0.000 1.559 453 L HN 0.923 nan 8.230 nan 0.000 0.857 454 S N 0.064 115.804 115.700 0.068 0.000 2.434 454 S HA 0.561 5.031 4.470 -0.000 0.000 0.318 454 S C 0.841 175.501 174.600 0.101 0.000 1.062 454 S CA 0.256 58.504 58.200 0.080 0.000 1.116 454 S CB 0.602 63.854 63.200 0.086 0.000 0.977 454 S HN 0.507 nan 8.310 nan 0.000 0.480 455 T N 1.261 115.880 114.554 0.108 0.000 3.328 455 T HA 0.483 4.833 4.350 -0.000 0.000 0.305 455 T C 0.500 175.291 174.700 0.151 0.000 0.939 455 T CA 0.183 62.364 62.100 0.135 0.000 0.950 455 T CB -0.024 68.924 68.868 0.133 0.000 1.182 455 T HN 0.585 nan 8.240 nan 0.000 0.545 456 A N 1.266 124.159 122.820 0.121 0.000 2.429 456 A HA 0.461 4.781 4.320 -0.000 0.000 0.242 456 A C 0.330 178.077 177.584 0.271 0.000 1.088 456 A CA -0.449 51.646 52.037 0.097 0.000 0.784 456 A CB -0.228 18.784 19.000 0.019 0.000 1.038 456 A HN 0.507 nan 8.150 nan 0.000 0.501 457 W N 0.302 121.674 121.300 0.121 0.000 2.293 457 W HA 0.079 4.739 4.660 -0.000 0.000 0.342 457 W C 0.922 177.560 176.519 0.198 0.000 1.274 457 W CA 0.358 57.793 57.345 0.150 0.000 1.290 457 W CB -0.522 29.041 29.460 0.171 0.000 1.176 457 W HN 0.664 nan 8.180 nan 0.000 0.570 458 H N 3.924 123.177 119.070 0.305 0.000 2.652 458 H HA 0.350 4.906 4.556 0.000 0.000 0.298 458 H C -0.222 175.218 175.328 0.188 0.000 1.076 458 H CA -0.531 55.638 56.048 0.201 0.000 1.360 458 H CB 0.508 30.351 29.762 0.136 0.000 1.421 458 H HN 0.278 nan 8.280 nan 0.000 0.464 459 R N 3.914 124.370 120.500 -0.075 0.000 2.460 459 R HA 0.436 4.776 4.340 -0.000 0.000 0.303 459 R C -1.154 174.977 176.300 -0.281 0.000 0.968 459 R CA -0.964 55.066 56.100 -0.117 0.000 0.889 459 R CB 2.245 32.569 30.300 0.041 0.000 1.123 459 R HN 0.259 nan 8.270 nan 0.000 0.455 460 V N 4.270 124.063 119.914 -0.201 0.000 2.488 460 V HA 0.309 4.429 4.120 -0.000 0.000 0.293 460 V C -0.489 175.566 176.094 -0.064 0.000 1.027 460 V CA -0.977 61.233 62.300 -0.150 0.000 0.862 460 V CB 1.594 33.317 31.823 -0.166 0.000 1.008 460 V HN 0.608 nan 8.190 nan 0.000 0.428 461 R N 3.633 124.113 120.500 -0.034 0.000 2.265 461 R HA 0.671 5.011 4.340 -0.000 0.000 0.314 461 R C -0.324 175.969 176.300 -0.012 0.000 1.053 461 R CA -0.145 55.944 56.100 -0.018 0.000 0.931 461 R CB 1.455 31.752 30.300 -0.005 0.000 1.024 461 R HN 0.676 nan 8.270 nan 0.000 0.457 462 V N -1.288 118.618 119.914 -0.014 0.000 3.160 462 V HA 0.792 4.912 4.120 -0.000 0.000 0.310 462 V C -0.238 175.851 176.094 -0.009 0.000 1.181 462 V CA -0.994 61.301 62.300 -0.008 0.000 1.047 462 V CB 2.365 34.184 31.823 -0.008 0.000 1.068 462 V HN 0.771 nan 8.190 nan 0.000 0.441 463 S N 0.349 116.046 115.700 -0.006 0.000 2.607 463 S HA 0.884 5.354 4.470 -0.000 0.000 0.303 463 S C -0.713 173.883 174.600 -0.006 0.000 1.086 463 S CA -0.790 57.406 58.200 -0.007 0.000 0.995 463 S CB 1.697 64.895 63.200 -0.004 0.000 1.084 463 S HN 1.285 nan 8.310 nan 0.000 0.507 464 V N 2.484 122.394 119.914 -0.007 0.000 2.370 464 V HA 0.347 4.467 4.120 -0.000 0.000 0.283 464 V C 0.151 176.242 176.094 -0.005 0.000 1.023 464 V CA -0.729 61.567 62.300 -0.007 0.000 0.857 464 V CB 0.823 32.641 31.823 -0.009 0.000 0.985 464 V HN 0.945 nan 8.190 nan 0.000 0.443 465 Q N 2.250 122.048 119.800 -0.004 0.000 2.492 465 Q HA 0.192 4.532 4.340 -0.000 0.000 0.238 465 Q C -0.556 175.442 176.000 -0.003 0.000 1.045 465 Q CA -0.352 55.450 55.803 -0.003 0.000 0.934 465 Q CB 0.563 29.300 28.738 -0.002 0.000 1.276 465 Q HN 0.641 nan 8.270 nan 0.000 0.521 466 D N 0.000 120.398 120.400 -0.003 0.000 6.856 466 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 466 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 466 D CB 0.000 40.798 40.800 -0.002 0.000 0.688 466 D HN 0.000 nan 8.370 nan 0.000 0.683