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 2a9c_1_B DATA FIRST_RESID 108 DATA SEQUENCE RVNSQKPFNA EPPAELLAER FLTPNELFFT QNHLPVPAVE PSSYRLRVDG DATA SEQUENCE PGGGTLSLSL AELRSRFPKH EVTATLQCAG NRRSEMSRVR PVKGLPWDIG DATA SEQUENCE AISTARWGGA RLRDVLLHAG FPEELQGEWH VCFEGLDADP GGAPYGASIP DATA SEQUENCE YGRALSPAAD VLLAYEMNGT ELPRDHGFPV RVVVPGVVGA RSVKWLRRVA DATA SEQUENCE VSPDESPSHW QQNDYKGFSP CVDWDTVDYR TAPAIQELPV QSAVTQPRPG DATA SEQUENCE AAVPPGELTV KGYAWSGGGR EVVRVDVSLD GGRTWKVARL MGDKAPPGRA DATA SEQUENCE WAWALWELTV PVEAGTELEI VCKAVDSSYN VQPDSVAPIW NLRGVLSTAW DATA SEQUENCE HRVRVSVQD 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 108 R HA 0.000 nan 4.340 nan 0.000 0.208 108 R C 0.000 176.291 176.300 -0.015 0.000 0.893 108 R CA 0.000 56.122 56.100 0.037 0.000 0.921 108 R CB 0.000 30.321 30.300 0.035 0.000 0.687 109 V N 3.280 123.163 119.914 -0.051 0.000 2.350 109 V HA 0.166 4.281 4.120 -0.008 0.000 0.276 109 V C 0.300 176.292 176.094 -0.169 0.000 1.028 109 V CA -0.498 61.707 62.300 -0.158 0.000 0.860 109 V CB 1.095 32.871 31.823 -0.078 0.000 0.990 109 V HN 0.943 nan 8.190 nan 0.000 0.453 110 N N 2.290 120.826 118.700 -0.274 0.000 2.236 110 N HA 0.129 4.864 4.740 -0.008 0.000 0.196 110 N C 0.181 175.555 175.510 -0.227 0.000 1.114 110 N CA -0.085 52.815 53.050 -0.250 0.000 0.859 110 N CB 0.841 39.138 38.487 -0.316 0.000 0.982 110 N HN 0.466 nan 8.380 nan 0.000 0.493 111 S N -0.580 114.975 115.700 -0.242 0.000 2.603 111 S HA 0.235 4.700 4.470 -0.008 0.000 0.274 111 S C -0.391 174.146 174.600 -0.104 0.000 1.168 111 S CA -0.576 57.529 58.200 -0.158 0.000 0.963 111 S CB 1.175 64.271 63.200 -0.173 0.000 1.078 111 S HN 0.041 nan 8.310 nan 0.000 0.477 112 Q N 2.482 122.291 119.800 0.015 0.000 2.349 112 Q HA 0.302 4.637 4.340 -0.008 0.000 0.209 112 Q C -0.344 175.766 176.000 0.182 0.000 0.920 112 Q CA 0.808 56.704 55.803 0.155 0.000 0.901 112 Q CB 0.325 29.132 28.738 0.116 0.000 1.021 112 Q HN 0.589 nan 8.270 nan 0.000 0.519 113 K N 1.784 122.240 120.400 0.094 0.000 2.740 113 K HA 0.289 4.604 4.320 -0.008 0.000 0.246 113 K C -2.499 174.134 176.600 0.055 0.000 1.021 113 K CA -0.954 55.379 56.287 0.077 0.000 1.021 113 K CB 2.033 34.563 32.500 0.050 0.000 1.233 113 K HN 0.033 nan 8.250 nan 0.000 0.497 114 P HA 0.116 nan 4.420 nan 0.000 0.275 114 P C -0.348 177.013 177.300 0.100 0.000 1.227 114 P CA -0.425 62.724 63.100 0.082 0.000 0.781 114 P CB 0.499 32.242 31.700 0.072 0.000 0.906 115 F N 2.586 122.526 119.950 -0.018 0.000 2.545 115 F HA 0.275 4.797 4.527 -0.008 0.000 0.348 115 F C 0.522 176.315 175.800 -0.010 0.000 1.163 115 F CA 0.585 58.576 58.000 -0.015 0.000 1.331 115 F CB 0.437 39.431 39.000 -0.010 0.000 1.138 115 F HN 0.419 nan 8.300 nan 0.000 0.602 116 N N 3.140 121.326 118.700 -0.856 0.000 2.718 116 N HA 0.487 5.222 4.740 -0.008 0.000 0.260 116 N C -2.260 172.813 175.510 -0.729 0.000 1.089 116 N CA -0.214 52.501 53.050 -0.560 0.000 1.021 116 N CB 1.320 39.575 38.487 -0.387 0.000 1.618 116 N HN 0.877 nan 8.380 nan 0.000 0.554 117 A N 2.350 124.971 122.820 -0.331 0.000 2.449 117 A HA 0.717 5.032 4.320 -0.008 0.000 0.302 117 A C -1.034 176.736 177.584 0.311 0.000 1.048 117 A CA -0.648 51.319 52.037 -0.118 0.000 0.708 117 A CB 1.419 20.358 19.000 -0.102 0.000 1.274 117 A HN 0.706 nan 8.150 nan 0.000 0.410 118 E N 2.940 123.312 120.200 0.286 0.000 2.272 118 E HA 0.631 4.976 4.350 -0.008 0.000 0.269 118 E C -2.914 173.803 176.600 0.196 0.000 0.877 118 E CA -2.090 54.524 56.400 0.357 0.000 0.755 118 E CB 2.643 32.628 29.700 0.474 0.000 1.192 118 E HN 0.357 nan 8.360 nan 0.000 0.422 119 P HA 0.177 nan 4.420 nan 0.000 0.272 119 P C -2.468 174.889 177.300 0.095 0.000 1.223 119 P CA -1.363 61.804 63.100 0.111 0.000 0.784 119 P CB -0.010 31.740 31.700 0.084 0.000 0.923 120 P HA 0.081 nan 4.420 nan 0.000 0.275 120 P C 0.654 177.995 177.300 0.068 0.000 1.227 120 P CA -0.101 63.043 63.100 0.073 0.000 0.781 120 P CB 0.580 32.317 31.700 0.061 0.000 0.906 121 A N 3.518 126.382 122.820 0.072 0.000 1.997 121 A HA -0.259 4.056 4.320 -0.008 0.000 0.221 121 A C 1.866 179.476 177.584 0.043 0.000 1.172 121 A CA 1.918 53.997 52.037 0.070 0.000 0.645 121 A CB -1.113 17.933 19.000 0.078 0.000 0.813 121 A HN 0.550 nan 8.150 nan 0.000 0.454 122 E N -0.358 119.864 120.200 0.036 0.000 2.204 122 E HA -0.094 4.251 4.350 -0.008 0.000 0.195 122 E C 1.762 178.371 176.600 0.015 0.000 0.990 122 E CA 1.124 57.536 56.400 0.020 0.000 0.821 122 E CB -0.218 29.494 29.700 0.021 0.000 0.750 122 E HN 0.711 nan 8.360 nan 0.000 0.477 123 L N -0.621 120.619 121.223 0.029 0.000 2.286 123 L HA 0.097 4.432 4.340 -0.008 0.000 0.203 123 L C 2.163 179.055 176.870 0.037 0.000 1.068 123 L CA -0.018 54.840 54.840 0.030 0.000 0.811 123 L CB -0.262 41.821 42.059 0.040 0.000 0.989 123 L HN 0.122 nan 8.230 nan 0.000 0.467 124 L N 0.674 121.929 121.223 0.053 0.000 2.077 124 L HA -0.346 3.989 4.340 -0.008 0.000 0.231 124 L C 1.829 178.752 176.870 0.088 0.000 1.100 124 L CA 2.194 57.085 54.840 0.085 0.000 0.819 124 L CB -0.258 41.863 42.059 0.104 0.000 0.913 124 L HN 0.379 nan 8.230 nan 0.000 0.446 125 A N -2.049 120.758 122.820 -0.021 0.000 2.610 125 A HA 0.113 4.428 4.320 -0.008 0.000 0.286 125 A C 1.372 178.880 177.584 -0.128 0.000 1.306 125 A CA -0.297 51.632 52.037 -0.180 0.000 0.942 125 A CB -0.006 18.824 19.000 -0.283 0.000 1.112 125 A HN 0.358 nan 8.150 nan 0.000 0.527 126 E N 0.529 120.706 120.200 -0.038 0.000 2.299 126 E HA 0.049 4.394 4.350 -0.008 0.000 0.193 126 E C 0.467 177.073 176.600 0.011 0.000 0.998 126 E CA 0.722 57.109 56.400 -0.023 0.000 0.851 126 E CB 0.197 29.895 29.700 -0.003 0.000 0.795 126 E HN 0.592 nan 8.360 nan 0.000 0.492 127 R N -1.074 119.459 120.500 0.055 0.000 2.771 127 R HA 0.255 4.590 4.340 -0.008 0.000 0.274 127 R C 0.366 176.800 176.300 0.224 0.000 0.987 127 R CA -0.534 55.637 56.100 0.118 0.000 0.908 127 R CB 0.921 31.282 30.300 0.101 0.000 1.213 127 R HN -0.076 nan 8.270 nan 0.000 0.468 128 F N 1.627 121.653 119.950 0.126 0.000 2.163 128 F HA 0.174 4.696 4.527 -0.008 0.000 0.297 128 F C 0.235 176.231 175.800 0.326 0.000 1.094 128 F CA 1.028 59.186 58.000 0.263 0.000 1.290 128 F CB 0.414 39.514 39.000 0.166 0.000 1.017 128 F HN 0.187 nan 8.300 nan 0.000 0.483 129 L N 2.168 123.426 121.223 0.059 0.000 2.255 129 L HA 0.254 4.589 4.340 -0.008 0.000 0.289 129 L C -0.073 176.761 176.870 -0.059 0.000 1.046 129 L CA -0.636 54.130 54.840 -0.123 0.000 0.816 129 L CB 0.942 42.963 42.059 -0.065 0.000 1.197 129 L HN -0.090 nan 8.230 nan 0.000 0.427 130 T N 4.360 118.844 114.554 -0.117 0.000 2.817 130 T HA 0.150 4.495 4.350 -0.008 0.000 0.295 130 T C -2.259 172.417 174.700 -0.040 0.000 0.958 130 T CA -1.009 61.052 62.100 -0.065 0.000 1.157 130 T CB 0.334 69.087 68.868 -0.191 0.000 0.898 130 T HN 0.295 nan 8.240 nan 0.000 0.536 131 P HA 0.107 nan 4.420 nan 0.000 0.266 131 P C 0.753 178.039 177.300 -0.022 0.000 1.195 131 P CA -0.312 62.772 63.100 -0.028 0.000 0.768 131 P CB 0.484 32.182 31.700 -0.002 0.000 0.838 132 N N 1.892 120.540 118.700 -0.086 0.000 2.192 132 N HA -0.185 4.550 4.740 -0.008 0.000 0.188 132 N C 1.052 176.570 175.510 0.013 0.000 1.013 132 N CA 1.460 54.435 53.050 -0.126 0.000 0.863 132 N CB -0.387 38.011 38.487 -0.149 0.000 0.990 132 N HN 0.560 nan 8.380 nan 0.000 0.430 133 E N -0.125 120.099 120.200 0.039 0.000 2.285 133 E HA 0.065 4.410 4.350 -0.008 0.000 0.194 133 E C 1.635 178.309 176.600 0.124 0.000 0.997 133 E CA 0.197 56.647 56.400 0.083 0.000 0.845 133 E CB 0.100 29.829 29.700 0.049 0.000 0.782 133 E HN 0.234 nan 8.360 nan 0.000 0.491 134 L N -0.335 120.954 121.223 0.111 0.000 2.408 134 L HA 0.225 4.560 4.340 -0.008 0.000 0.215 134 L C 0.112 177.072 176.870 0.150 0.000 1.081 134 L CA 0.036 54.944 54.840 0.113 0.000 0.840 134 L CB 0.046 42.144 42.059 0.065 0.000 1.002 134 L HN 0.142 nan 8.230 nan 0.000 0.468 135 F N 2.437 122.372 119.950 -0.025 0.000 2.593 135 F HA -0.069 4.453 4.527 -0.008 0.000 0.393 135 F C 0.621 176.465 175.800 0.074 0.000 1.037 135 F CA -0.615 57.334 58.000 -0.086 0.000 1.195 135 F CB -0.052 38.706 39.000 -0.403 0.000 1.034 135 F HN 0.050 nan 8.300 nan 0.000 0.552 136 F N 4.053 124.006 119.950 0.004 0.000 2.628 136 F HA 0.345 4.867 4.527 -0.008 0.000 0.362 136 F C -0.138 175.870 175.800 0.348 0.000 1.148 136 F CA -0.624 57.442 58.000 0.109 0.000 1.352 136 F CB -0.223 38.693 39.000 -0.141 0.000 1.081 136 F HN 0.364 nan 8.300 nan 0.000 0.605 137 T N 3.795 118.457 114.554 0.179 0.000 2.812 137 T HA 0.402 4.747 4.350 -0.008 0.000 0.282 137 T C -1.151 173.640 174.700 0.151 0.000 0.990 137 T CA -0.550 61.566 62.100 0.027 0.000 0.960 137 T CB 1.404 70.353 68.868 0.134 0.000 0.948 137 T HN 0.750 nan 8.240 nan 0.000 0.438 138 Q N 3.423 123.241 119.800 0.030 0.000 2.303 138 Q HA 0.444 4.779 4.340 -0.008 0.000 0.267 138 Q C -1.592 174.371 176.000 -0.061 0.000 1.011 138 Q CA -0.547 55.331 55.803 0.125 0.000 0.740 138 Q CB 0.692 29.598 28.738 0.281 0.000 1.250 138 Q HN 0.435 nan 8.270 nan 0.000 0.458 139 N N 2.852 121.516 118.700 -0.060 0.000 2.399 139 N HA 0.243 4.978 4.740 -0.008 0.000 0.284 139 N C -0.555 174.874 175.510 -0.135 0.000 1.025 139 N CA -0.407 52.633 53.050 -0.018 0.000 0.885 139 N CB 1.236 39.812 38.487 0.147 0.000 1.339 139 N HN 0.644 nan 8.380 nan 0.000 0.487 140 H N 0.453 119.490 119.070 -0.054 0.000 2.497 140 H HA 0.309 4.860 4.556 -0.008 0.000 0.282 140 H C 0.160 175.521 175.328 0.056 0.000 1.003 140 H CA 0.824 56.859 56.048 -0.023 0.000 1.307 140 H CB 0.597 30.206 29.762 -0.254 0.000 1.437 140 H HN 0.320 nan 8.280 nan 0.000 0.544 141 L N -0.277 121.030 121.223 0.141 0.000 2.283 141 L HA 0.441 4.776 4.340 -0.008 0.000 0.259 141 L C -2.332 174.543 176.870 0.007 0.000 1.027 141 L CA -2.632 52.269 54.840 0.102 0.000 0.828 141 L CB 1.733 43.867 42.059 0.125 0.000 1.380 141 L HN -0.192 nan 8.230 nan 0.000 0.425 142 P HA 0.004 nan 4.420 nan 0.000 0.264 142 P C -0.705 176.454 177.300 -0.235 0.000 1.183 142 P CA -0.128 62.920 63.100 -0.085 0.000 0.763 142 P CB 0.362 32.022 31.700 -0.067 0.000 0.807 143 V N 6.712 126.458 119.914 -0.279 0.000 2.479 143 V HA 0.117 4.232 4.120 -0.008 0.000 0.281 143 V C -1.460 174.318 176.094 -0.527 0.000 1.031 143 V CA -0.965 61.002 62.300 -0.555 0.000 1.038 143 V CB 0.055 31.710 31.823 -0.280 0.000 0.981 143 V HN 0.616 nan 8.190 nan 0.000 0.478 144 P HA 0.346 nan 4.420 nan 0.000 0.279 144 P C -0.767 176.377 177.300 -0.260 0.000 1.239 144 P CA -0.409 62.430 63.100 -0.435 0.000 0.789 144 P CB 1.167 32.612 31.700 -0.426 0.000 0.933 145 A N 3.545 126.296 122.820 -0.116 0.000 2.478 145 A HA 0.404 4.719 4.320 -0.008 0.000 0.327 145 A C 0.044 177.652 177.584 0.041 0.000 1.431 145 A CA -0.579 51.444 52.037 -0.022 0.000 1.014 145 A CB -0.294 18.688 19.000 -0.031 0.000 1.143 145 A HN 0.359 nan 8.150 nan 0.000 0.532 146 V N 2.748 122.738 119.914 0.127 0.000 2.530 146 V HA 0.160 4.275 4.120 -0.008 0.000 0.282 146 V C 0.553 176.762 176.094 0.190 0.000 1.048 146 V CA -0.514 61.879 62.300 0.156 0.000 0.997 146 V CB 1.268 33.188 31.823 0.161 0.000 0.987 146 V HN 0.819 nan 8.190 nan 0.000 0.477 147 E N 7.007 127.296 120.200 0.148 0.000 2.180 147 E HA 0.228 4.573 4.350 -0.008 0.000 0.283 147 E C -1.827 174.870 176.600 0.161 0.000 1.061 147 E CA -2.210 54.273 56.400 0.138 0.000 0.861 147 E CB 1.843 31.599 29.700 0.094 0.000 1.056 147 E HN 0.369 nan 8.360 nan 0.000 0.407 148 P HA -0.149 nan 4.420 nan 0.000 0.215 148 P C 1.286 178.660 177.300 0.123 0.000 1.157 148 P CA 1.519 64.695 63.100 0.126 0.000 0.863 148 P CB 0.182 31.984 31.700 0.170 0.000 0.787 149 S N 0.028 115.789 115.700 0.102 0.000 2.359 149 S HA -0.184 4.281 4.470 -0.008 0.000 0.224 149 S C 2.063 176.715 174.600 0.086 0.000 1.035 149 S CA 1.961 60.208 58.200 0.080 0.000 1.018 149 S CB -1.783 61.451 63.200 0.057 0.000 0.876 149 S HN 0.274 nan 8.310 nan 0.000 0.448 150 S N 0.263 116.017 115.700 0.091 0.000 2.461 150 S HA 0.062 4.527 4.470 -0.008 0.000 0.228 150 S C 0.599 175.251 174.600 0.086 0.000 1.005 150 S CA -0.263 57.981 58.200 0.073 0.000 0.942 150 S CB -0.973 62.263 63.200 0.060 0.000 0.776 150 S HN 0.576 nan 8.310 nan 0.000 0.514 151 Y N 3.822 124.128 120.300 0.011 0.000 2.895 151 Y HA 0.202 4.747 4.550 -0.008 0.000 0.334 151 Y C 0.230 176.132 175.900 0.003 0.000 1.261 151 Y CA 0.164 58.265 58.100 0.002 0.000 1.560 151 Y CB 0.325 38.768 38.460 -0.027 0.000 1.253 151 Y HN 0.041 nan 8.280 nan 0.000 0.582 152 R N 6.654 126.693 120.500 -0.769 0.000 2.538 152 R HA 0.305 4.640 4.340 -0.008 0.000 0.292 152 R C -1.894 173.960 176.300 -0.743 0.000 1.008 152 R CA -1.222 54.529 56.100 -0.581 0.000 0.896 152 R CB 1.590 31.750 30.300 -0.233 0.000 1.187 152 R HN 0.760 nan 8.270 nan 0.000 0.440 153 L N 3.442 124.353 121.223 -0.521 0.000 2.281 153 L HA 0.422 4.757 4.340 -0.008 0.000 0.285 153 L C 0.266 177.089 176.870 -0.078 0.000 1.074 153 L CA -0.002 54.701 54.840 -0.228 0.000 0.817 153 L CB 0.545 42.601 42.059 -0.004 0.000 1.168 153 L HN 0.509 nan 8.230 nan 0.000 0.434 154 R N 4.522 124.998 120.500 -0.041 0.000 2.368 154 R HA 0.672 5.007 4.340 -0.008 0.000 0.302 154 R C -1.611 174.728 176.300 0.065 0.000 1.002 154 R CA -0.575 55.535 56.100 0.016 0.000 0.929 154 R CB 1.557 31.864 30.300 0.011 0.000 1.073 154 R HN 0.563 nan 8.270 nan 0.000 0.464 155 V N 4.406 124.378 119.914 0.096 0.000 2.462 155 V HA 0.272 4.387 4.120 -0.008 0.000 0.288 155 V C -1.406 174.797 176.094 0.183 0.000 1.020 155 V CA -0.905 61.480 62.300 0.141 0.000 0.857 155 V CB 1.534 33.446 31.823 0.149 0.000 1.013 155 V HN 0.854 nan 8.190 nan 0.000 0.431 156 D N 5.662 126.175 120.400 0.189 0.000 2.382 156 D HA 0.303 4.938 4.640 -0.008 0.000 0.259 156 D C 0.884 177.372 176.300 0.314 0.000 1.224 156 D CA 0.980 55.100 54.000 0.200 0.000 0.894 156 D CB 1.546 42.454 40.800 0.181 0.000 1.127 156 D HN 0.830 nan 8.370 nan 0.000 0.487 157 G N 2.963 111.846 108.800 0.138 0.000 2.716 157 G HA2 0.126 4.081 3.960 -0.008 0.000 0.251 157 G HA3 0.126 4.081 3.960 -0.008 0.000 0.251 157 G C -1.229 173.531 174.900 -0.233 0.000 1.224 157 G CA -0.795 44.237 45.100 -0.112 0.000 0.891 157 G HN 0.279 nan 8.290 nan 0.000 0.561 158 P HA -0.018 nan 4.420 nan 0.000 0.216 158 P C 1.831 179.052 177.300 -0.132 0.000 1.153 158 P CA 1.608 64.455 63.100 -0.422 0.000 0.844 158 P CB -0.015 31.349 31.700 -0.560 0.000 0.787 159 G N -1.138 107.582 108.800 -0.133 0.000 2.408 159 G HA2 0.203 4.158 3.960 -0.008 0.000 0.215 159 G HA3 0.203 4.158 3.960 -0.008 0.000 0.215 159 G C 1.155 176.045 174.900 -0.016 0.000 1.156 159 G CA 0.908 45.972 45.100 -0.059 0.000 0.793 159 G HN 0.492 nan 8.290 nan 0.000 0.535 160 G N -1.571 107.220 108.800 -0.015 0.000 3.732 160 G HA2 0.245 4.200 3.960 -0.008 0.000 0.220 160 G HA3 0.245 4.200 3.960 -0.008 0.000 0.220 160 G C 0.660 175.566 174.900 0.011 0.000 0.903 160 G CA 0.342 45.450 45.100 0.014 0.000 0.896 160 G HN 0.720 nan 8.290 nan 0.000 0.685 161 G N -0.313 108.479 108.800 -0.013 0.000 2.631 161 G HA2 0.495 4.450 3.960 -0.008 0.000 0.271 161 G HA3 0.495 4.450 3.960 -0.008 0.000 0.271 161 G C -0.380 174.534 174.900 0.024 0.000 1.302 161 G CA 0.749 45.845 45.100 -0.008 0.000 1.002 161 G HN 0.587 nan 8.290 nan 0.000 0.519 162 T N 0.408 114.979 114.554 0.029 0.000 3.143 162 T HA 0.300 4.645 4.350 -0.008 0.000 0.312 162 T C -0.154 174.581 174.700 0.057 0.000 0.986 162 T CA -0.382 61.750 62.100 0.053 0.000 1.024 162 T CB 1.046 69.941 68.868 0.045 0.000 1.030 162 T HN 0.355 nan 8.240 nan 0.000 0.448 163 L N 2.310 123.586 121.223 0.089 0.000 2.397 163 L HA 0.587 4.922 4.340 -0.008 0.000 0.271 163 L C 0.391 177.311 176.870 0.084 0.000 1.148 163 L CA -0.155 54.749 54.840 0.107 0.000 0.825 163 L CB 1.297 43.458 42.059 0.170 0.000 1.117 163 L HN 0.566 nan 8.230 nan 0.000 0.456 164 S N 4.116 119.858 115.700 0.070 0.000 2.789 164 S HA 0.557 5.022 4.470 -0.008 0.000 0.286 164 S C -0.826 173.799 174.600 0.042 0.000 1.153 164 S CA -0.615 57.604 58.200 0.032 0.000 1.084 164 S CB 0.449 63.654 63.200 0.008 0.000 1.036 164 S HN 0.397 nan 8.310 nan 0.000 0.484 165 L N 4.169 125.418 121.223 0.044 0.000 2.307 165 L HA 0.565 4.901 4.340 -0.008 0.000 0.284 165 L C 0.719 177.616 176.870 0.045 0.000 1.023 165 L CA -0.712 54.174 54.840 0.076 0.000 0.810 165 L CB 1.933 44.083 42.059 0.152 0.000 1.231 165 L HN 0.671 nan 8.230 nan 0.000 0.423 166 S N 1.759 117.492 115.700 0.055 0.000 2.614 166 S HA 0.168 4.633 4.470 -0.008 0.000 0.265 166 S C 0.912 175.589 174.600 0.128 0.000 1.303 166 S CA -0.715 57.533 58.200 0.080 0.000 1.000 166 S CB 1.179 64.411 63.200 0.053 0.000 0.935 166 S HN 0.593 nan 8.310 nan 0.000 0.551 167 L N 1.502 122.832 121.223 0.179 0.000 2.043 167 L HA -0.031 4.304 4.340 -0.008 0.000 0.212 167 L C 2.555 179.399 176.870 -0.044 0.000 1.075 167 L CA 2.436 57.313 54.840 0.062 0.000 0.752 167 L CB -1.546 40.494 42.059 -0.033 0.000 0.891 167 L HN 0.938 nan 8.230 nan 0.000 0.432 168 A N -1.068 121.737 122.820 -0.025 0.000 1.930 168 A HA -0.205 4.110 4.320 -0.008 0.000 0.217 168 A C 2.174 179.725 177.584 -0.055 0.000 1.175 168 A CA 1.690 53.692 52.037 -0.057 0.000 0.627 168 A CB -0.555 18.428 19.000 -0.030 0.000 0.815 168 A HN 0.604 nan 8.150 nan 0.000 0.443 169 E N -0.785 119.408 120.200 -0.012 0.000 2.072 169 E HA -0.162 4.183 4.350 -0.008 0.000 0.191 169 E C 1.917 178.534 176.600 0.028 0.000 0.985 169 E CA 1.141 57.534 56.400 -0.011 0.000 0.801 169 E CB -0.230 29.486 29.700 0.026 0.000 0.750 169 E HN 0.491 nan 8.360 nan 0.000 0.452 170 L N 1.233 122.521 121.223 0.109 0.000 2.083 170 L HA -0.164 4.171 4.340 -0.008 0.000 0.209 170 L C 2.031 179.013 176.870 0.186 0.000 1.083 170 L CA 1.679 56.675 54.840 0.260 0.000 0.752 170 L CB -0.061 42.115 42.059 0.195 0.000 0.899 170 L HN -0.068 nan 8.230 nan 0.000 0.433 171 R N -1.119 119.309 120.500 -0.120 0.000 2.115 171 R HA -0.047 4.288 4.340 -0.008 0.000 0.226 171 R C 2.332 178.592 176.300 -0.066 0.000 1.100 171 R CA 1.296 57.238 56.100 -0.264 0.000 0.980 171 R CB -0.250 29.768 30.300 -0.471 0.000 0.875 171 R HN 0.629 nan 8.270 nan 0.000 0.445 172 S N 0.176 115.827 115.700 -0.082 0.000 2.427 172 S HA 0.033 4.498 4.470 -0.008 0.000 0.224 172 S C 1.849 176.350 174.600 -0.165 0.000 1.047 172 S CA -0.061 58.082 58.200 -0.095 0.000 0.953 172 S CB 0.040 63.185 63.200 -0.092 0.000 0.824 172 S HN 0.160 nan 8.310 nan 0.000 0.502 173 R N 0.152 120.452 120.500 -0.333 0.000 2.276 173 R HA 0.260 4.595 4.340 -0.008 0.000 0.203 173 R C -0.744 175.042 176.300 -0.856 0.000 1.017 173 R CA 0.479 56.185 56.100 -0.657 0.000 1.010 173 R CB -0.105 29.571 30.300 -1.040 0.000 0.900 173 R HN 0.412 nan 8.270 nan 0.000 0.469 174 F N 1.107 121.025 119.950 -0.054 0.000 2.529 174 F HA 0.361 4.884 4.527 -0.008 0.000 0.320 174 F C -2.040 173.780 175.800 0.033 0.000 1.118 174 F CA -3.536 54.449 58.000 -0.025 0.000 0.915 174 F CB 1.114 40.100 39.000 -0.023 0.000 1.161 174 F HN -0.222 nan 8.300 nan 0.000 0.445 175 P HA 0.063 nan 4.420 nan 0.000 0.271 175 P C -0.659 176.751 177.300 0.184 0.000 1.216 175 P CA -0.423 62.763 63.100 0.144 0.000 0.771 175 P CB 0.982 32.743 31.700 0.103 0.000 0.864 176 K N 2.552 123.064 120.400 0.186 0.000 2.382 176 K HA 0.081 4.396 4.320 -0.008 0.000 0.275 176 K C -0.171 176.540 176.600 0.185 0.000 1.009 176 K CA -0.177 56.225 56.287 0.192 0.000 0.970 176 K CB 0.240 32.858 32.500 0.197 0.000 0.934 176 K HN 0.618 nan 8.250 nan 0.000 0.479 177 H N 2.831 121.907 119.070 0.010 0.000 2.679 177 H HA 0.247 4.798 4.556 -0.009 0.000 0.360 177 H C -1.245 174.074 175.328 -0.016 0.000 1.105 177 H CA -0.732 55.319 56.048 0.006 0.000 1.196 177 H CB 1.439 31.201 29.762 0.001 0.000 1.636 177 H HN 0.682 nan 8.280 nan 0.000 0.531 178 E N 3.645 123.622 120.200 -0.372 0.000 2.171 178 E HA 0.418 4.763 4.350 -0.008 0.000 0.271 178 E C -1.165 175.218 176.600 -0.360 0.000 0.916 178 E CA -0.964 55.273 56.400 -0.272 0.000 0.774 178 E CB 2.836 32.461 29.700 -0.126 0.000 1.128 178 E HN 0.193 nan 8.360 nan 0.000 0.403 179 V N 2.545 122.357 119.914 -0.169 0.000 2.686 179 V HA 0.256 4.371 4.120 -0.008 0.000 0.306 179 V C -0.358 175.807 176.094 0.118 0.000 1.065 179 V CA -0.827 61.453 62.300 -0.033 0.000 0.894 179 V CB 2.276 34.066 31.823 -0.056 0.000 1.004 179 V HN 0.696 nan 8.190 nan 0.000 0.424 180 T N 4.540 119.194 114.554 0.167 0.000 2.743 180 T HA 0.703 5.048 4.350 -0.008 0.000 0.293 180 T C 0.031 174.893 174.700 0.270 0.000 0.945 180 T CA -0.065 62.127 62.100 0.154 0.000 1.030 180 T CB 1.051 70.022 68.868 0.172 0.000 0.912 180 T HN 0.990 nan 8.240 nan 0.000 0.483 181 A N 3.103 126.091 122.820 0.280 0.000 2.449 181 A HA 0.713 5.028 4.320 -0.008 0.000 0.302 181 A C 0.001 177.679 177.584 0.157 0.000 1.048 181 A CA -0.815 51.401 52.037 0.298 0.000 0.708 181 A CB 1.444 20.567 19.000 0.204 0.000 1.274 181 A HN 0.602 nan 8.150 nan 0.000 0.410 182 T N 2.706 117.249 114.554 -0.018 0.000 2.767 182 T HA 0.495 4.840 4.350 -0.008 0.000 0.288 182 T C -0.227 174.239 174.700 -0.389 0.000 0.963 182 T CA 0.040 61.883 62.100 -0.428 0.000 1.019 182 T CB 0.117 68.487 68.868 -0.829 0.000 0.923 182 T HN 0.427 nan 8.240 nan 0.000 0.468 183 L N 3.956 125.017 121.223 -0.270 0.000 2.264 183 L HA 0.467 4.802 4.340 -0.008 0.000 0.289 183 L C 0.303 176.967 176.870 -0.343 0.000 1.044 183 L CA -0.460 54.278 54.840 -0.172 0.000 0.807 183 L CB 1.240 43.388 42.059 0.149 0.000 1.192 183 L HN 0.518 nan 8.230 nan 0.000 0.425 184 Q N 3.005 122.524 119.800 -0.467 0.000 2.330 184 Q HA 0.274 4.609 4.340 -0.008 0.000 0.269 184 Q C -1.011 174.777 176.000 -0.353 0.000 1.022 184 Q CA -0.596 54.877 55.803 -0.549 0.000 0.796 184 Q CB 2.365 30.731 28.738 -0.620 0.000 1.271 184 Q HN 0.771 nan 8.270 nan 0.000 0.450 185 C N 2.773 121.767 119.300 -0.510 0.000 2.604 185 C HA 0.537 4.992 4.460 -0.008 0.000 0.396 185 C C 1.830 176.667 174.990 -0.256 0.000 1.282 185 C CA 0.373 59.175 59.018 -0.360 0.000 2.292 185 C CB 0.058 27.442 27.740 -0.593 0.000 2.633 185 C HN 1.028 nan 8.230 nan 0.000 0.620 186 A N 3.387 126.137 122.820 -0.116 0.000 2.019 186 A HA 0.073 4.388 4.320 -0.008 0.000 0.219 186 A C 1.972 179.609 177.584 0.088 0.000 1.164 186 A CA 1.927 53.982 52.037 0.029 0.000 0.644 186 A CB -0.883 18.208 19.000 0.152 0.000 0.805 186 A HN 1.391 nan 8.150 nan 0.000 0.449 187 G N -0.609 108.246 108.800 0.091 0.000 3.088 187 G HA2 0.083 4.038 3.960 -0.008 0.000 0.212 187 G HA3 0.083 4.038 3.960 -0.008 0.000 0.212 187 G C 0.451 175.355 174.900 0.006 0.000 1.173 187 G CA 0.032 45.235 45.100 0.171 0.000 0.779 187 G HN 0.488 nan 8.290 nan 0.000 0.540 188 N N 1.256 119.813 118.700 -0.237 0.000 2.357 188 N HA -0.042 4.693 4.740 -0.008 0.000 0.257 188 N C 1.014 176.519 175.510 -0.008 0.000 1.250 188 N CA 0.269 53.181 53.050 -0.231 0.000 0.862 188 N CB -0.013 38.304 38.487 -0.282 0.000 1.066 188 N HN 0.339 nan 8.380 nan 0.000 0.468 189 R N 0.343 120.874 120.500 0.052 0.000 3.651 189 R HA -0.268 4.067 4.340 -0.008 0.000 0.292 189 R C 1.064 177.439 176.300 0.126 0.000 1.161 189 R CA 0.933 57.084 56.100 0.086 0.000 0.787 189 R CB -1.580 28.750 30.300 0.050 0.000 1.249 189 R HN 0.680 nan 8.270 nan 0.000 0.476 190 R N 1.295 121.904 120.500 0.182 0.000 2.120 190 R HA -0.133 4.202 4.340 -0.008 0.000 0.234 190 R C 2.126 178.521 176.300 0.159 0.000 1.123 190 R CA 2.003 58.211 56.100 0.180 0.000 0.975 190 R CB -0.052 30.398 30.300 0.250 0.000 0.866 190 R HN 0.468 nan 8.270 nan 0.000 0.446 191 S N -0.100 115.695 115.700 0.158 0.000 2.423 191 S HA -0.116 4.349 4.470 -0.008 0.000 0.231 191 S C 1.564 176.252 174.600 0.146 0.000 1.014 191 S CA 1.085 59.369 58.200 0.139 0.000 0.965 191 S CB -0.087 63.186 63.200 0.122 0.000 0.785 191 S HN 0.468 nan 8.310 nan 0.000 0.495 192 E N 0.427 120.716 120.200 0.148 0.000 2.204 192 E HA -0.063 4.282 4.350 -0.008 0.000 0.195 192 E C 1.957 178.663 176.600 0.177 0.000 0.990 192 E CA 1.260 57.755 56.400 0.158 0.000 0.821 192 E CB -0.207 29.589 29.700 0.160 0.000 0.750 192 E HN 0.625 nan 8.360 nan 0.000 0.477 193 M N -0.237 119.471 119.600 0.180 0.000 2.287 193 M HA -0.059 4.416 4.480 -0.008 0.000 0.266 193 M C 2.144 178.642 176.300 0.330 0.000 1.079 193 M CA 0.911 56.352 55.300 0.237 0.000 1.146 193 M CB 0.336 33.002 32.600 0.110 0.000 1.374 193 M HN -0.106 nan 8.290 nan 0.000 0.435 194 S N 0.260 116.109 115.700 0.248 0.000 2.440 194 S HA -0.096 4.369 4.470 -0.008 0.000 0.238 194 S C 1.737 176.468 174.600 0.218 0.000 1.010 194 S CA 1.024 59.378 58.200 0.256 0.000 0.972 194 S CB -0.289 63.019 63.200 0.181 0.000 0.774 194 S HN 0.468 nan 8.310 nan 0.000 0.501 195 R N 0.107 120.717 120.500 0.184 0.000 2.148 195 R HA 0.017 4.352 4.340 -0.008 0.000 0.223 195 R C 2.037 178.409 176.300 0.119 0.000 1.088 195 R CA 0.800 56.982 56.100 0.136 0.000 0.985 195 R CB -0.224 30.146 30.300 0.118 0.000 0.880 195 R HN 0.268 nan 8.270 nan 0.000 0.451 196 V N 0.506 120.513 119.914 0.154 0.000 2.255 196 V HA -0.126 3.989 4.120 -0.008 0.000 0.243 196 V C 0.976 177.044 176.094 -0.043 0.000 1.038 196 V CA 1.517 63.853 62.300 0.060 0.000 1.008 196 V CB -0.206 31.667 31.823 0.084 0.000 0.645 196 V HN 0.261 nan 8.190 nan 0.000 0.449 197 R N -0.733 119.781 120.500 0.023 0.000 2.668 197 R HA 0.391 4.726 4.340 -0.008 0.000 0.272 197 R C -2.948 173.562 176.300 0.350 0.000 1.019 197 R CA -1.913 54.175 56.100 -0.020 0.000 0.894 197 R CB 2.026 32.004 30.300 -0.535 0.000 1.228 197 R HN 0.094 nan 8.270 nan 0.000 0.460 198 P HA -0.007 nan 4.420 nan 0.000 0.267 198 P C -0.587 177.007 177.300 0.491 0.000 1.200 198 P CA -0.223 63.070 63.100 0.321 0.000 0.772 198 P CB 0.630 32.462 31.700 0.220 0.000 0.855 199 V N -0.529 119.611 119.914 0.377 0.000 3.158 199 V HA 0.623 4.738 4.120 -0.008 0.000 0.311 199 V C -0.610 175.665 176.094 0.302 0.000 1.181 199 V CA -1.155 61.349 62.300 0.341 0.000 1.054 199 V CB 2.163 34.073 31.823 0.145 0.000 1.085 199 V HN 0.340 nan 8.190 nan 0.000 0.446 200 K N 0.490 121.109 120.400 0.365 0.000 2.185 200 K HA 0.740 5.055 4.320 -0.008 0.000 0.269 200 K C -0.166 176.569 176.600 0.226 0.000 0.987 200 K CA 0.533 56.989 56.287 0.283 0.000 0.865 200 K CB 1.100 33.799 32.500 0.330 0.000 1.090 200 K HN 1.855 nan 8.250 nan 0.000 0.450 201 G N 2.331 111.225 108.800 0.156 0.000 2.339 201 G HA2 0.008 3.963 3.960 -0.008 0.000 0.381 201 G HA3 0.008 3.963 3.960 -0.008 0.000 0.381 201 G C -1.423 173.514 174.900 0.063 0.000 1.400 201 G CA -1.118 44.069 45.100 0.145 0.000 1.002 201 G HN 0.555 nan 8.290 nan 0.000 0.633 202 L N 1.487 122.704 121.223 -0.010 0.000 2.453 202 L HA 0.316 4.651 4.340 -0.008 0.000 0.272 202 L C -1.277 175.448 176.870 -0.243 0.000 1.182 202 L CA -1.213 53.486 54.840 -0.236 0.000 0.858 202 L CB 0.819 42.558 42.059 -0.532 0.000 1.120 202 L HN 0.391 nan 8.230 nan 0.000 0.474 203 P HA 0.003 nan 4.420 nan 0.000 0.218 203 P C -0.735 176.545 177.300 -0.034 0.000 1.793 203 P CA -0.455 62.609 63.100 -0.059 0.000 0.941 203 P CB -0.343 31.337 31.700 -0.034 0.000 1.919 204 W N 1.045 122.359 121.300 0.022 0.000 2.274 204 W HA -0.027 4.628 4.660 -0.008 0.000 0.345 204 W C 1.355 177.877 176.519 0.006 0.000 1.265 204 W CA 0.031 57.374 57.345 -0.004 0.000 1.293 204 W CB 0.203 29.645 29.460 -0.029 0.000 1.175 204 W HN 0.229 nan 8.180 nan 0.000 0.577 205 D N 1.268 121.831 120.400 0.273 0.000 2.733 205 D HA 0.108 4.743 4.640 -0.008 0.000 0.239 205 D C 1.264 177.633 176.300 0.114 0.000 1.225 205 D CA -0.024 54.074 54.000 0.162 0.000 1.168 205 D CB 0.053 40.932 40.800 0.131 0.000 1.110 205 D HN 0.314 nan 8.370 nan 0.000 0.440 206 I N -2.244 118.371 120.570 0.076 0.000 3.883 206 I HA 0.482 4.647 4.170 -0.008 0.000 0.326 206 I C 1.080 177.256 176.117 0.099 0.000 1.283 206 I CA -0.096 61.240 61.300 0.060 0.000 1.161 206 I CB 0.348 38.347 38.000 -0.002 0.000 1.012 206 I HN 0.178 nan 8.210 nan 0.000 0.421 207 G N 1.192 110.009 108.800 0.027 0.000 3.434 207 G HA2 0.470 4.425 3.960 -0.008 0.000 0.258 207 G HA3 0.470 4.425 3.960 -0.008 0.000 0.258 207 G C 0.774 175.462 174.900 -0.353 0.000 1.128 207 G CA 0.258 45.316 45.100 -0.069 0.000 0.792 207 G HN 0.445 nan 8.290 nan 0.000 0.539 208 A N 0.927 123.380 122.820 -0.612 0.000 3.135 208 A HA 0.682 4.997 4.320 -0.008 0.000 0.253 208 A C -0.179 176.407 177.584 -1.663 0.000 1.638 208 A CA -0.228 50.917 52.037 -1.486 0.000 1.295 208 A CB -0.575 17.366 19.000 -1.765 0.000 1.106 208 A HN 0.519 nan 8.150 nan 0.000 0.648 209 I N -0.833 118.956 120.570 -1.302 0.000 2.753 209 I HA 0.475 4.640 4.170 -0.008 0.000 0.291 209 I C -1.290 174.346 176.117 -0.803 0.000 1.425 209 I CA 0.051 60.766 61.300 -0.974 0.000 1.039 209 I CB 1.931 39.435 38.000 -0.825 0.000 1.349 209 I HN 0.181 nan 8.210 nan 0.000 0.430 210 S N 2.952 118.077 115.700 -0.957 0.000 2.615 210 S HA 0.685 5.150 4.470 -0.008 0.000 0.269 210 S C -1.354 172.467 174.600 -1.299 0.000 1.161 210 S CA -0.626 56.777 58.200 -1.329 0.000 0.817 210 S CB 2.365 64.390 63.200 -1.959 0.000 1.131 210 S HN 0.657 nan 8.310 nan 0.000 0.467 211 T N 1.315 115.193 114.554 -1.126 0.000 2.893 211 T HA 0.877 5.222 4.350 -0.008 0.000 0.293 211 T C -0.965 173.499 174.700 -0.393 0.000 1.027 211 T CA -0.545 61.074 62.100 -0.801 0.000 0.988 211 T CB 1.707 69.734 68.868 -1.401 0.000 1.043 211 T HN 0.971 nan 8.240 nan 0.000 0.461 212 A N 2.190 124.762 122.820 -0.413 0.000 2.594 212 A HA 0.802 5.117 4.320 -0.008 0.000 0.295 212 A C -0.886 176.205 177.584 -0.821 0.000 1.071 212 A CA -1.021 50.584 52.037 -0.721 0.000 0.685 212 A CB 1.434 19.684 19.000 -1.250 0.000 1.285 212 A HN 0.815 nan 8.150 nan 0.000 0.405 213 R N 1.114 121.247 120.500 -0.612 0.000 2.216 213 R HA 0.425 4.760 4.340 -0.008 0.000 0.332 213 R C -1.527 174.459 176.300 -0.523 0.000 1.056 213 R CA -0.095 55.767 56.100 -0.396 0.000 0.901 213 R CB 0.334 30.522 30.300 -0.187 0.000 1.039 213 R HN 0.637 nan 8.270 nan 0.000 0.456 214 W N 2.817 124.003 121.300 -0.190 0.000 2.438 214 W HA 0.535 5.190 4.660 -0.009 0.000 0.324 214 W C 0.437 176.805 176.519 -0.252 0.000 1.119 214 W CA -0.706 56.494 57.345 -0.242 0.000 1.221 214 W CB 1.991 31.291 29.460 -0.268 0.000 1.253 214 W HN 0.716 nan 8.180 nan 0.000 0.555 215 G N 0.777 109.540 108.800 -0.061 0.000 2.590 215 G HA2 0.716 4.671 3.960 -0.008 0.000 0.310 215 G HA3 0.716 4.671 3.960 -0.008 0.000 0.310 215 G C -0.760 173.813 174.900 -0.544 0.000 1.347 215 G CA -0.368 44.603 45.100 -0.215 0.000 0.963 215 G HN 0.831 nan 8.290 nan 0.000 0.494 216 G N -0.473 107.987 108.800 -0.567 0.000 2.340 216 G HA2 0.708 4.663 3.960 -0.008 0.000 0.299 216 G HA3 0.708 4.663 3.960 -0.008 0.000 0.299 216 G C -0.846 173.900 174.900 -0.257 0.000 1.291 216 G CA 0.158 44.731 45.100 -0.879 0.000 0.841 216 G HN 1.447 nan 8.290 nan 0.000 0.500 217 A N -0.205 122.568 122.820 -0.078 0.000 2.340 217 A HA 0.731 5.046 4.320 -0.008 0.000 0.268 217 A C 0.605 178.138 177.584 -0.085 0.000 1.100 217 A CA -0.325 51.724 52.037 0.020 0.000 0.803 217 A CB 0.325 19.337 19.000 0.020 0.000 1.043 217 A HN 0.642 nan 8.150 nan 0.000 0.488 218 R N 1.558 122.016 120.500 -0.069 0.000 2.491 218 R HA 0.136 4.471 4.340 -0.008 0.000 0.283 218 R C 1.031 177.230 176.300 -0.168 0.000 1.072 218 R CA -0.386 55.654 56.100 -0.100 0.000 1.048 218 R CB 0.509 30.748 30.300 -0.101 0.000 0.983 218 R HN 0.818 nan 8.270 nan 0.000 0.450 219 L N 3.337 124.465 121.223 -0.157 0.000 2.042 219 L HA -0.239 4.096 4.340 -0.008 0.000 0.210 219 L C 2.693 179.469 176.870 -0.157 0.000 1.076 219 L CA 1.646 56.392 54.840 -0.157 0.000 0.749 219 L CB -0.262 41.731 42.059 -0.110 0.000 0.893 219 L HN 0.701 nan 8.230 nan 0.000 0.432 220 R N 0.045 120.462 120.500 -0.139 0.000 2.112 220 R HA -0.252 4.083 4.340 -0.008 0.000 0.242 220 R C 1.762 178.016 176.300 -0.077 0.000 1.137 220 R CA 2.474 58.502 56.100 -0.119 0.000 0.944 220 R CB -0.334 29.908 30.300 -0.096 0.000 0.857 220 R HN 0.423 nan 8.270 nan 0.000 0.435 221 D N -0.205 120.146 120.400 -0.081 0.000 2.117 221 D HA -0.107 4.528 4.640 -0.008 0.000 0.198 221 D C 2.022 178.297 176.300 -0.042 0.000 0.982 221 D CA 1.235 55.231 54.000 -0.007 0.000 0.828 221 D CB -0.215 40.611 40.800 0.043 0.000 0.967 221 D HN 0.137 nan 8.370 nan 0.000 0.464 222 V N 1.116 120.828 119.914 -0.337 0.000 2.343 222 V HA -0.210 3.905 4.120 -0.008 0.000 0.247 222 V C 2.629 178.736 176.094 0.021 0.000 1.051 222 V CA 1.155 63.220 62.300 -0.391 0.000 1.036 222 V CB -0.485 31.054 31.823 -0.474 0.000 0.654 222 V HN 0.196 nan 8.190 nan 0.000 0.451 223 L N -0.810 120.418 121.223 0.009 0.000 2.056 223 L HA -0.140 4.195 4.340 -0.008 0.000 0.207 223 L C 2.409 179.434 176.870 0.259 0.000 1.078 223 L CA 1.440 56.352 54.840 0.121 0.000 0.749 223 L CB -0.471 41.536 42.059 -0.086 0.000 0.901 223 L HN 0.296 nan 8.230 nan 0.000 0.433 224 L N -1.255 120.069 121.223 0.167 0.000 2.093 224 L HA -0.249 4.086 4.340 -0.008 0.000 0.208 224 L C 2.692 179.681 176.870 0.198 0.000 1.085 224 L CA 1.050 55.992 54.840 0.171 0.000 0.755 224 L CB -0.863 41.270 42.059 0.123 0.000 0.904 224 L HN 0.387 nan 8.230 nan 0.000 0.435 225 H N 0.566 119.736 119.070 0.166 0.000 2.353 225 H HA -0.135 4.416 4.556 -0.008 0.000 0.300 225 H C 1.976 177.394 175.328 0.151 0.000 1.090 225 H CA 1.434 57.605 56.048 0.205 0.000 1.327 225 H CB 0.399 30.407 29.762 0.410 0.000 1.383 225 H HN 0.339 nan 8.280 nan 0.000 0.508 226 A N -0.331 122.619 122.820 0.217 0.000 2.239 226 A HA 0.164 4.479 4.320 -0.008 0.000 0.209 226 A C 1.916 179.443 177.584 -0.096 0.000 1.171 226 A CA 1.189 53.293 52.037 0.113 0.000 0.768 226 A CB -0.511 18.660 19.000 0.286 0.000 0.790 226 A HN 0.691 nan 8.150 nan 0.000 0.478 227 G N -2.159 106.590 108.800 -0.084 0.000 2.213 227 G HA2 -0.230 3.725 3.960 -0.008 0.000 0.226 227 G HA3 -0.230 3.725 3.960 -0.008 0.000 0.226 227 G C 0.079 174.859 174.900 -0.200 0.000 0.992 227 G CA -0.029 44.960 45.100 -0.185 0.000 0.632 227 G HN 0.330 nan 8.290 nan 0.000 0.511 228 F N 3.114 123.074 119.950 0.016 0.000 2.496 228 F HA 0.491 5.013 4.527 -0.008 0.000 0.344 228 F C -0.617 175.205 175.800 0.036 0.000 1.155 228 F CA -1.089 56.928 58.000 0.029 0.000 1.302 228 F CB 0.452 39.507 39.000 0.092 0.000 1.159 228 F HN -0.017 nan 8.300 nan 0.000 0.595 229 P HA 0.193 nan 4.420 nan 0.000 0.283 229 P C -0.251 177.165 177.300 0.194 0.000 1.278 229 P CA -0.448 62.731 63.100 0.132 0.000 0.834 229 P CB 1.075 32.791 31.700 0.027 0.000 1.150 230 E N -0.153 120.118 120.200 0.119 0.000 2.204 230 E HA -0.087 4.258 4.350 -0.008 0.000 0.194 230 E C 0.062 176.772 176.600 0.184 0.000 0.989 230 E CA 1.226 57.697 56.400 0.119 0.000 0.824 230 E CB 0.314 30.053 29.700 0.064 0.000 0.756 230 E HN 0.571 nan 8.360 nan 0.000 0.477 231 E N -0.666 119.614 120.200 0.133 0.000 2.454 231 E HA 0.568 4.913 4.350 -0.008 0.000 0.279 231 E C -1.183 175.327 176.600 -0.151 0.000 1.029 231 E CA -0.572 55.873 56.400 0.075 0.000 0.831 231 E CB 2.027 31.752 29.700 0.041 0.000 1.405 231 E HN -0.140 nan 8.360 nan 0.000 0.463 232 L N 1.266 122.329 121.223 -0.266 0.000 2.482 232 L HA 0.332 4.667 4.340 -0.008 0.000 0.263 232 L C -0.944 175.853 176.870 -0.121 0.000 0.957 232 L CA -0.922 53.683 54.840 -0.391 0.000 0.836 232 L CB 2.267 43.703 42.059 -1.039 0.000 1.324 232 L HN 0.445 nan 8.230 nan 0.000 0.406 233 Q N 1.866 121.650 119.800 -0.026 0.000 2.289 233 Q HA 0.529 4.864 4.340 -0.008 0.000 0.273 233 Q C 0.276 176.386 176.000 0.184 0.000 1.029 233 Q CA 1.358 57.200 55.803 0.065 0.000 0.896 233 Q CB 0.858 29.629 28.738 0.055 0.000 1.182 233 Q HN 0.802 nan 8.270 nan 0.000 0.385 234 G N 3.244 112.125 108.800 0.136 0.000 2.631 234 G HA2 -0.178 3.777 3.960 -0.008 0.000 0.504 234 G HA3 -0.178 3.777 3.960 -0.008 0.000 0.504 234 G C -1.297 173.678 174.900 0.125 0.000 1.306 234 G CA -0.557 44.613 45.100 0.117 0.000 0.897 234 G HN 0.655 nan 8.290 nan 0.000 0.520 235 E N -0.011 120.180 120.200 -0.014 0.000 2.044 235 E HA 0.425 4.770 4.350 -0.008 0.000 0.282 235 E C -0.588 175.858 176.600 -0.255 0.000 1.031 235 E CA -0.173 56.170 56.400 -0.095 0.000 0.824 235 E CB 0.687 30.344 29.700 -0.072 0.000 1.076 235 E HN 0.386 nan 8.360 nan 0.000 0.395 236 W N 1.428 122.540 121.300 -0.313 0.000 2.578 236 W HA 0.365 5.019 4.660 -0.009 0.000 0.364 236 W C 0.587 176.810 176.519 -0.493 0.000 1.144 236 W CA -0.305 56.871 57.345 -0.282 0.000 1.242 236 W CB 1.045 30.321 29.460 -0.306 0.000 1.382 236 W HN 0.410 nan 8.180 nan 0.000 0.625 237 H N -0.347 118.876 119.070 0.256 0.000 2.961 237 H HA 0.501 5.052 4.556 -0.008 0.000 0.371 237 H C -1.359 174.007 175.328 0.064 0.000 1.190 237 H CA -0.827 55.287 56.048 0.110 0.000 1.138 237 H CB 1.794 31.550 29.762 -0.010 0.000 1.816 237 H HN 0.005 nan 8.280 nan 0.000 0.551 238 V N 2.092 122.009 119.914 0.005 0.000 2.370 238 V HA 0.213 4.328 4.120 -0.008 0.000 0.283 238 V C 0.253 176.011 176.094 -0.561 0.000 1.023 238 V CA -0.409 61.747 62.300 -0.240 0.000 0.857 238 V CB 0.997 32.628 31.823 -0.320 0.000 0.985 238 V HN 0.758 nan 8.190 nan 0.000 0.443 239 C N 5.188 124.217 119.300 -0.453 0.000 2.365 239 C HA 0.818 5.273 4.460 -0.008 0.000 0.349 239 C C -0.456 174.291 174.990 -0.405 0.000 1.191 239 C CA -0.654 58.103 59.018 -0.434 0.000 2.114 239 C CB 0.823 28.479 27.740 -0.140 0.000 2.367 239 C HN 0.693 nan 8.230 nan 0.000 0.530 240 F N 0.768 120.736 119.950 0.030 0.000 2.578 240 F HA 0.537 5.059 4.527 -0.009 0.000 0.311 240 F C 0.044 175.887 175.800 0.071 0.000 1.094 240 F CA -0.846 57.179 58.000 0.042 0.000 0.923 240 F CB 1.150 40.170 39.000 0.034 0.000 1.230 240 F HN 0.521 nan 8.300 nan 0.000 0.450 241 E N 0.587 120.961 120.200 0.289 0.000 2.272 241 E HA 0.615 4.960 4.350 -0.008 0.000 0.269 241 E C -0.358 176.386 176.600 0.240 0.000 0.877 241 E CA -0.983 55.557 56.400 0.232 0.000 0.755 241 E CB 2.694 32.498 29.700 0.173 0.000 1.192 241 E HN 0.800 nan 8.360 nan 0.000 0.422 242 G N 1.123 110.094 108.800 0.286 0.000 2.488 242 G HA2 0.331 4.286 3.960 -0.008 0.000 0.318 242 G HA3 0.331 4.286 3.960 -0.008 0.000 0.318 242 G C 0.511 175.571 174.900 0.268 0.000 1.188 242 G CA -0.540 44.751 45.100 0.318 0.000 0.944 242 G HN 0.482 nan 8.290 nan 0.000 0.495 243 L N 0.050 121.437 121.223 0.274 0.000 2.395 243 L HA 0.091 4.426 4.340 -0.008 0.000 0.218 243 L C 0.928 177.837 176.870 0.066 0.000 1.130 243 L CA 0.095 55.029 54.840 0.156 0.000 0.826 243 L CB -0.366 41.781 42.059 0.146 0.000 0.941 243 L HN 0.571 nan 8.230 nan 0.000 0.451 244 D N 0.852 121.289 120.400 0.061 0.000 2.382 244 D HA 0.371 5.006 4.640 -0.008 0.000 0.240 244 D C -0.171 176.184 176.300 0.091 0.000 1.146 244 D CA 0.024 54.006 54.000 -0.029 0.000 0.897 244 D CB 1.701 42.440 40.800 -0.102 0.000 1.197 244 D HN 0.023 nan 8.370 nan 0.000 0.432 245 A N 1.447 124.308 122.820 0.067 0.000 2.589 245 A HA 0.458 4.773 4.320 -0.008 0.000 0.296 245 A C -0.783 176.865 177.584 0.106 0.000 1.062 245 A CA -0.837 51.269 52.037 0.114 0.000 0.686 245 A CB 1.287 20.340 19.000 0.088 0.000 1.282 245 A HN 0.688 nan 8.150 nan 0.000 0.404 246 D N 1.448 121.932 120.400 0.141 0.000 2.380 246 D HA 0.370 5.005 4.640 -0.008 0.000 0.254 246 D C -1.694 174.646 176.300 0.066 0.000 1.288 246 D CA -0.905 53.164 54.000 0.115 0.000 1.008 246 D CB -0.172 40.708 40.800 0.133 0.000 1.099 246 D HN 0.137 nan 8.370 nan 0.000 0.537 247 P HA 0.072 nan 4.420 nan 0.000 0.220 247 P C 1.585 178.901 177.300 0.025 0.000 1.152 247 P CA 1.453 64.571 63.100 0.030 0.000 0.812 247 P CB -0.188 31.525 31.700 0.021 0.000 0.792 248 G N -0.759 108.056 108.800 0.025 0.000 2.498 248 G HA2 0.051 4.006 3.960 -0.008 0.000 0.219 248 G HA3 0.051 4.006 3.960 -0.008 0.000 0.219 248 G C 1.266 176.183 174.900 0.027 0.000 1.119 248 G CA 0.934 46.045 45.100 0.019 0.000 0.766 248 G HN 0.480 nan 8.290 nan 0.000 0.552 249 G N -1.461 107.363 108.800 0.040 0.000 2.195 249 G HA2 0.140 4.095 3.960 -0.008 0.000 0.224 249 G HA3 0.140 4.095 3.960 -0.008 0.000 0.224 249 G C 0.540 175.480 174.900 0.066 0.000 0.990 249 G CA 0.335 45.463 45.100 0.047 0.000 0.639 249 G HN 1.399 nan 8.290 nan 0.000 0.514 250 A N 2.140 125.003 122.820 0.071 0.000 2.492 250 A HA 0.621 4.936 4.320 -0.008 0.000 0.254 250 A C -1.155 176.524 177.584 0.157 0.000 1.091 250 A CA -0.041 52.051 52.037 0.092 0.000 0.768 250 A CB 0.341 19.381 19.000 0.066 0.000 1.028 250 A HN 0.324 nan 8.150 nan 0.000 0.498 251 P HA 0.235 nan 4.420 nan 0.000 0.283 251 P C -0.939 176.558 177.300 0.328 0.000 1.278 251 P CA -0.538 62.701 63.100 0.231 0.000 0.834 251 P CB 0.672 32.484 31.700 0.186 0.000 1.150 252 Y N 0.383 120.829 120.300 0.243 0.000 2.442 252 Y HA 0.455 5.000 4.550 -0.008 0.000 0.330 252 Y C 0.543 176.580 175.900 0.228 0.000 1.129 252 Y CA 1.265 59.501 58.100 0.226 0.000 1.365 252 Y CB 0.069 38.542 38.460 0.022 0.000 1.233 252 Y HN 0.578 nan 8.280 nan 0.000 0.529 253 G N 2.607 111.276 108.800 -0.218 0.000 2.672 253 G HA2 0.800 4.755 3.960 -0.008 0.000 0.292 253 G HA3 0.800 4.755 3.960 -0.008 0.000 0.292 253 G C -2.024 172.774 174.900 -0.170 0.000 1.375 253 G CA -0.389 44.688 45.100 -0.038 0.000 0.890 253 G HN 0.981 nan 8.290 nan 0.000 0.476 254 A N -0.330 122.535 122.820 0.074 0.000 2.581 254 A HA 0.975 5.290 4.320 -0.008 0.000 0.290 254 A C -0.305 177.316 177.584 0.062 0.000 1.119 254 A CA 0.132 52.228 52.037 0.098 0.000 0.670 254 A CB 1.427 20.564 19.000 0.229 0.000 1.280 254 A HN 2.244 nan 8.150 nan 0.000 0.425 255 S N -0.836 114.854 115.700 -0.017 0.000 2.607 255 S HA 0.861 5.326 4.470 -0.008 0.000 0.273 255 S C -0.768 173.795 174.600 -0.062 0.000 1.148 255 S CA -0.164 57.921 58.200 -0.192 0.000 0.833 255 S CB 1.221 64.316 63.200 -0.175 0.000 1.130 255 S HN 1.991 nan 8.310 nan 0.000 0.470 256 I N -2.759 117.755 120.570 -0.094 0.000 2.769 256 I HA 0.693 4.858 4.170 -0.008 0.000 0.298 256 I C -3.294 172.883 176.117 0.100 0.000 1.128 256 I CA -3.047 58.279 61.300 0.044 0.000 1.031 256 I CB 2.102 40.141 38.000 0.064 0.000 1.235 256 I HN 0.305 nan 8.210 nan 0.000 0.423 257 P HA -0.000 nan 4.420 nan 0.000 0.266 257 P C -0.042 177.273 177.300 0.026 0.000 1.195 257 P CA 0.257 63.384 63.100 0.046 0.000 0.768 257 P CB 0.305 32.024 31.700 0.032 0.000 0.838 258 Y N 3.415 123.648 120.300 -0.113 0.000 2.114 258 Y HA -0.267 4.278 4.550 -0.009 0.000 0.282 258 Y C 2.410 178.274 175.900 -0.058 0.000 1.165 258 Y CA 2.641 60.693 58.100 -0.079 0.000 1.148 258 Y CB -0.922 37.509 38.460 -0.047 0.000 0.972 258 Y HN 0.505 nan 8.280 nan 0.000 0.504 259 G N -0.164 108.726 108.800 0.150 0.000 2.469 259 G HA2 -0.364 3.591 3.960 -0.008 0.000 0.220 259 G HA3 -0.364 3.591 3.960 -0.008 0.000 0.220 259 G C 1.772 176.669 174.900 -0.005 0.000 1.136 259 G CA 1.113 46.263 45.100 0.082 0.000 0.759 259 G HN 0.427 nan 8.290 nan 0.000 0.562 260 R N 0.436 120.928 120.500 -0.013 0.000 2.062 260 R HA 0.106 4.441 4.340 -0.008 0.000 0.229 260 R C 2.949 179.201 176.300 -0.080 0.000 1.128 260 R CA 1.351 57.437 56.100 -0.023 0.000 0.960 260 R CB -0.453 29.846 30.300 -0.000 0.000 0.855 260 R HN 0.255 nan 8.270 nan 0.000 0.432 261 A N 1.100 123.843 122.820 -0.129 0.000 1.927 261 A HA -0.167 4.148 4.320 -0.008 0.000 0.220 261 A C 1.991 179.426 177.584 -0.248 0.000 1.185 261 A CA 1.261 53.182 52.037 -0.193 0.000 0.639 261 A CB -0.428 18.399 19.000 -0.288 0.000 0.820 261 A HN 0.326 nan 8.150 nan 0.000 0.451 262 L N -0.562 120.479 121.223 -0.303 0.000 2.529 262 L HA 0.135 4.470 4.340 -0.008 0.000 0.223 262 L C 1.195 178.002 176.870 -0.105 0.000 1.113 262 L CA 0.627 55.322 54.840 -0.243 0.000 0.861 262 L CB -0.909 40.976 42.059 -0.291 0.000 1.012 262 L HN 0.357 nan 8.230 nan 0.000 0.461 263 S N 0.456 116.115 115.700 -0.068 0.000 2.510 263 S HA 0.146 4.611 4.470 -0.008 0.000 0.279 263 S C -1.166 173.428 174.600 -0.010 0.000 1.284 263 S CA -1.108 57.082 58.200 -0.015 0.000 1.059 263 S CB 1.226 64.437 63.200 0.019 0.000 0.901 263 S HN -0.008 nan 8.310 nan 0.000 0.491 264 P HA -0.044 nan 4.420 nan 0.000 0.215 264 P C 1.278 178.609 177.300 0.051 0.000 1.153 264 P CA 1.328 64.427 63.100 -0.002 0.000 0.853 264 P CB -0.001 31.699 31.700 0.001 0.000 0.788 265 A N 0.080 122.956 122.820 0.092 0.000 1.972 265 A HA -0.071 4.244 4.320 -0.008 0.000 0.219 265 A C 2.265 180.041 177.584 0.320 0.000 1.169 265 A CA 1.859 54.004 52.037 0.180 0.000 0.635 265 A CB -1.539 17.547 19.000 0.144 0.000 0.810 265 A HN 0.200 nan 8.150 nan 0.000 0.446 266 A N -1.079 121.864 122.820 0.204 0.000 2.172 266 A HA 0.077 4.392 4.320 -0.008 0.000 0.216 266 A C 0.691 178.193 177.584 -0.137 0.000 1.154 266 A CA 1.112 53.226 52.037 0.128 0.000 0.701 266 A CB -0.376 18.640 19.000 0.028 0.000 0.789 266 A HN 0.465 nan 8.150 nan 0.000 0.465 267 D N -1.181 119.211 120.400 -0.013 0.000 2.751 267 D HA -0.127 4.508 4.640 -0.008 0.000 0.233 267 D C -0.210 175.972 176.300 -0.196 0.000 1.149 267 D CA 0.989 54.965 54.000 -0.040 0.000 0.682 267 D CB -1.941 38.851 40.800 -0.013 0.000 1.068 267 D HN 0.236 nan 8.370 nan 0.000 0.429 268 V N 0.620 120.419 119.914 -0.191 0.000 2.572 268 V HA 0.203 4.318 4.120 -0.008 0.000 0.291 268 V C 1.078 177.057 176.094 -0.191 0.000 1.039 268 V CA 0.093 62.260 62.300 -0.223 0.000 1.055 268 V CB 1.229 32.954 31.823 -0.163 0.000 0.969 268 V HN 0.107 nan 8.190 nan 0.000 0.482 269 L N 5.199 126.269 121.223 -0.254 0.000 2.323 269 L HA 0.592 4.927 4.340 -0.008 0.000 0.265 269 L C -0.646 176.047 176.870 -0.294 0.000 1.012 269 L CA -0.774 53.924 54.840 -0.236 0.000 0.820 269 L CB 2.248 44.163 42.059 -0.240 0.000 1.334 269 L HN 0.421 nan 8.230 nan 0.000 0.427 270 L N 2.458 123.532 121.223 -0.249 0.000 2.335 270 L HA 0.500 4.835 4.340 -0.008 0.000 0.268 270 L C 0.104 176.826 176.870 -0.245 0.000 1.037 270 L CA -0.367 54.330 54.840 -0.240 0.000 0.895 270 L CB 1.220 43.182 42.059 -0.162 0.000 1.266 270 L HN 0.613 nan 8.230 nan 0.000 0.439 271 A N 2.145 124.779 122.820 -0.310 0.000 2.331 271 A HA 0.467 4.782 4.320 -0.008 0.000 0.283 271 A C -0.063 177.376 177.584 -0.242 0.000 1.142 271 A CA -0.261 51.564 52.037 -0.352 0.000 0.812 271 A CB 0.248 19.098 19.000 -0.250 0.000 1.074 271 A HN 0.706 nan 8.150 nan 0.000 0.497 272 Y N -0.569 119.696 120.300 -0.059 0.000 2.500 272 Y HA 0.518 5.063 4.550 -0.008 0.000 0.246 272 Y C 0.071 175.961 175.900 -0.018 0.000 1.146 272 Y CA -0.605 57.452 58.100 -0.072 0.000 1.230 272 Y CB -0.090 38.322 38.460 -0.080 0.000 1.214 272 Y HN 0.571 nan 8.280 nan 0.000 0.526 273 E N 1.688 121.872 120.200 -0.027 0.000 2.293 273 E HA 0.549 4.894 4.350 -0.008 0.000 0.270 273 E C -1.615 174.956 176.600 -0.048 0.000 0.879 273 E CA -0.999 55.407 56.400 0.009 0.000 0.756 273 E CB 2.828 32.540 29.700 0.021 0.000 1.208 273 E HN 0.227 nan 8.360 nan 0.000 0.428 274 M N 3.257 122.777 119.600 -0.133 0.000 2.183 274 M HA 0.311 4.786 4.480 -0.008 0.000 0.277 274 M C -1.339 174.742 176.300 -0.364 0.000 0.995 274 M CA -0.338 54.733 55.300 -0.382 0.000 0.969 274 M CB 1.083 33.419 32.600 -0.439 0.000 1.659 274 M HN 0.470 nan 8.290 nan 0.000 0.462 275 N N 3.524 121.970 118.700 -0.424 0.000 2.705 275 N HA -0.181 4.554 4.740 -0.008 0.000 0.255 275 N C 0.657 176.067 175.510 -0.167 0.000 1.008 275 N CA 1.684 54.565 53.050 -0.283 0.000 0.742 275 N CB -1.384 36.940 38.487 -0.272 0.000 0.906 275 N HN 1.224 nan 8.380 nan 0.000 0.541 276 G N -1.687 107.032 108.800 -0.135 0.000 2.166 276 G HA2 -0.354 3.601 3.960 -0.008 0.000 0.260 276 G HA3 -0.354 3.601 3.960 -0.008 0.000 0.260 276 G C 0.310 175.185 174.900 -0.042 0.000 0.986 276 G CA 1.436 46.494 45.100 -0.068 0.000 0.683 276 G HN 1.156 nan 8.290 nan 0.000 0.527 277 T N -2.283 112.239 114.554 -0.054 0.000 2.916 277 T HA 0.670 5.015 4.350 -0.008 0.000 0.292 277 T C 0.131 174.837 174.700 0.011 0.000 1.055 277 T CA -0.100 61.988 62.100 -0.021 0.000 1.009 277 T CB 2.208 71.050 68.868 -0.042 0.000 1.118 277 T HN 0.784 nan 8.240 nan 0.000 0.497 278 E N 1.645 121.881 120.200 0.059 0.000 2.436 278 E HA 0.160 4.505 4.350 -0.008 0.000 0.262 278 E C -0.429 176.247 176.600 0.127 0.000 1.063 278 E CA -0.698 55.784 56.400 0.137 0.000 0.944 278 E CB 0.364 30.193 29.700 0.214 0.000 0.950 278 E HN 0.559 nan 8.360 nan 0.000 0.444 279 L N 2.980 124.314 121.223 0.185 0.000 2.499 279 L HA 0.134 4.469 4.340 -0.008 0.000 0.273 279 L C -1.879 175.117 176.870 0.210 0.000 1.195 279 L CA -1.618 53.311 54.840 0.147 0.000 0.882 279 L CB -0.001 42.126 42.059 0.114 0.000 1.133 279 L HN 0.474 nan 8.230 nan 0.000 0.483 280 P HA 0.156 nan 4.420 nan 0.000 0.274 280 P C 0.320 177.703 177.300 0.139 0.000 1.237 280 P CA -0.418 62.730 63.100 0.080 0.000 0.793 280 P CB 0.617 32.386 31.700 0.114 0.000 0.977 281 R N 0.852 121.402 120.500 0.082 0.000 2.115 281 R HA -0.187 4.148 4.340 -0.008 0.000 0.239 281 R C 1.435 177.902 176.300 0.277 0.000 1.133 281 R CA 1.928 58.151 56.100 0.207 0.000 0.935 281 R CB -0.696 29.642 30.300 0.064 0.000 0.853 281 R HN 0.587 nan 8.270 nan 0.000 0.433 282 D N -0.527 119.909 120.400 0.060 0.000 2.263 282 D HA -0.109 4.526 4.640 -0.008 0.000 0.208 282 D C 0.899 176.981 176.300 -0.364 0.000 0.971 282 D CA 1.029 54.996 54.000 -0.056 0.000 0.867 282 D CB 0.016 40.682 40.800 -0.222 0.000 0.929 282 D HN 0.431 nan 8.370 nan 0.000 0.492 283 H N -0.875 118.136 119.070 -0.098 0.000 2.507 283 H HA 0.322 4.873 4.556 -0.008 0.000 0.294 283 H C 1.285 176.324 175.328 -0.482 0.000 1.064 283 H CA 0.498 56.359 56.048 -0.311 0.000 1.138 283 H CB 0.864 30.454 29.762 -0.288 0.000 1.515 283 H HN 0.157 nan 8.280 nan 0.000 0.547 284 G N 1.074 109.483 108.800 -0.651 0.000 2.154 284 G HA2 -0.253 3.702 3.960 -0.008 0.000 0.186 284 G HA3 -0.253 3.702 3.960 -0.008 0.000 0.186 284 G C 0.009 174.658 174.900 -0.419 0.000 1.000 284 G CA -0.460 43.966 45.100 -1.123 0.000 0.664 284 G HN 0.346 nan 8.290 nan 0.000 0.513 285 F N 2.675 122.580 119.950 -0.075 0.000 2.604 285 F HA 0.352 4.874 4.527 -0.008 0.000 0.393 285 F C -0.352 175.489 175.800 0.068 0.000 1.043 285 F CA -0.203 57.809 58.000 0.020 0.000 1.227 285 F CB 1.006 40.043 39.000 0.061 0.000 1.016 285 F HN 0.018 nan 8.300 nan 0.000 0.556 286 P HA 0.100 nan 4.420 nan 0.000 0.261 286 P C -0.832 176.128 177.300 -0.566 0.000 1.268 286 P CA 0.522 62.855 63.100 -1.279 0.000 0.833 286 P CB 0.639 31.427 31.700 -1.519 0.000 1.231 287 V N 0.726 120.394 119.914 -0.411 0.000 2.932 287 V HA 0.478 4.594 4.120 -0.008 0.000 0.307 287 V C -0.356 175.586 176.094 -0.253 0.000 1.147 287 V CA -0.831 61.327 62.300 -0.237 0.000 0.951 287 V CB 3.050 34.802 31.823 -0.119 0.000 1.031 287 V HN 0.130 nan 8.190 nan 0.000 0.426 288 R N 2.092 122.414 120.500 -0.296 0.000 2.740 288 R HA 0.862 5.197 4.340 -0.008 0.000 0.273 288 R C -1.847 174.184 176.300 -0.448 0.000 0.998 288 R CA -0.775 55.086 56.100 -0.397 0.000 0.900 288 R CB 2.027 32.030 30.300 -0.495 0.000 1.223 288 R HN 0.339 nan 8.270 nan 0.000 0.466 289 V N 1.973 121.565 119.914 -0.537 0.000 2.583 289 V HA 0.289 4.404 4.120 -0.008 0.000 0.287 289 V C -0.204 175.527 176.094 -0.606 0.000 1.051 289 V CA -0.519 61.407 62.300 -0.623 0.000 1.010 289 V CB 1.386 32.642 31.823 -0.944 0.000 0.988 289 V HN 0.515 nan 8.190 nan 0.000 0.478 290 V N 5.330 124.882 119.914 -0.604 0.000 2.376 290 V HA 0.330 4.445 4.120 -0.008 0.000 0.287 290 V C -0.235 175.549 176.094 -0.517 0.000 1.015 290 V CA -0.518 61.353 62.300 -0.715 0.000 0.834 290 V CB 1.846 33.020 31.823 -1.082 0.000 1.001 290 V HN 0.626 nan 8.190 nan 0.000 0.428 291 V N 7.624 127.293 119.914 -0.408 0.000 2.304 291 V HA 0.322 4.437 4.120 -0.008 0.000 0.269 291 V C -2.258 173.642 176.094 -0.324 0.000 1.036 291 V CA -1.895 60.223 62.300 -0.303 0.000 0.840 291 V CB 1.105 32.837 31.823 -0.151 0.000 1.036 291 V HN 0.691 nan 8.190 nan 0.000 0.466 292 P HA 0.248 nan 4.420 nan 0.000 0.269 292 P C 1.080 178.247 177.300 -0.221 0.000 1.209 292 P CA 0.882 63.642 63.100 -0.566 0.000 0.776 292 P CB 0.792 31.547 31.700 -1.576 0.000 0.876 293 G N 0.421 109.426 108.800 0.341 0.000 2.166 293 G HA2 -0.201 3.754 3.960 -0.008 0.000 0.260 293 G HA3 -0.201 3.754 3.960 -0.008 0.000 0.260 293 G C 0.015 175.116 174.900 0.335 0.000 0.986 293 G CA 0.112 45.530 45.100 0.529 0.000 0.683 293 G HN 0.523 nan 8.290 nan 0.000 0.527 294 V N -0.132 119.920 119.914 0.230 0.000 2.769 294 V HA 0.663 4.778 4.120 -0.008 0.000 0.312 294 V C 0.984 177.151 176.094 0.120 0.000 1.061 294 V CA -0.475 61.910 62.300 0.143 0.000 0.931 294 V CB 1.961 33.809 31.823 0.042 0.000 1.010 294 V HN 0.482 nan 8.190 nan 0.000 0.433 295 V N 3.894 123.861 119.914 0.089 0.000 2.928 295 V HA 0.140 4.255 4.120 -0.008 0.000 0.307 295 V C 1.682 177.742 176.094 -0.057 0.000 1.105 295 V CA 1.451 63.758 62.300 0.013 0.000 1.223 295 V CB 1.324 33.138 31.823 -0.015 0.000 0.930 295 V HN 1.107 nan 8.190 nan 0.000 0.499 296 G N 4.515 113.261 108.800 -0.090 0.000 2.475 296 G HA2 -0.260 3.695 3.960 -0.008 0.000 0.220 296 G HA3 -0.260 3.695 3.960 -0.008 0.000 0.220 296 G C 1.589 176.426 174.900 -0.105 0.000 1.125 296 G CA 1.071 46.121 45.100 -0.083 0.000 0.755 296 G HN 1.359 nan 8.290 nan 0.000 0.565 297 A N 0.554 123.282 122.820 -0.154 0.000 2.042 297 A HA -0.113 4.202 4.320 -0.008 0.000 0.222 297 A C 2.411 180.042 177.584 0.077 0.000 1.167 297 A CA 1.710 53.682 52.037 -0.108 0.000 0.649 297 A CB -0.220 18.531 19.000 -0.415 0.000 0.809 297 A HN 0.292 nan 8.150 nan 0.000 0.457 298 R N -0.104 120.412 120.500 0.026 0.000 2.254 298 R HA 0.135 4.470 4.340 -0.008 0.000 0.195 298 R C 0.407 176.725 176.300 0.030 0.000 0.957 298 R CA 0.355 56.515 56.100 0.100 0.000 1.024 298 R CB -0.889 29.465 30.300 0.090 0.000 0.952 298 R HN 0.344 nan 8.270 nan 0.000 0.484 299 S N 2.009 117.638 115.700 -0.117 0.000 4.120 299 S HA 0.123 4.588 4.470 -0.008 0.000 0.215 299 S C 0.158 174.578 174.600 -0.299 0.000 1.347 299 S CA -0.207 57.819 58.200 -0.290 0.000 0.889 299 S CB -0.106 62.868 63.200 -0.377 0.000 1.585 299 S HN -0.083 nan 8.310 nan 0.000 0.447 300 V N 4.203 123.976 119.914 -0.235 0.000 2.493 300 V HA 0.017 4.132 4.120 -0.008 0.000 0.292 300 V C 0.777 176.686 176.094 -0.308 0.000 1.016 300 V CA 0.246 62.457 62.300 -0.149 0.000 1.097 300 V CB -0.011 31.828 31.823 0.027 0.000 0.947 300 V HN 0.552 nan 8.190 nan 0.000 0.479 301 K N 4.806 124.962 120.400 -0.407 0.000 2.118 301 K HA 0.241 4.556 4.320 -0.008 0.000 0.264 301 K C -0.155 176.239 176.600 -0.344 0.000 1.000 301 K CA -0.478 55.374 56.287 -0.725 0.000 0.929 301 K CB 0.578 32.190 32.500 -1.479 0.000 1.021 301 K HN 0.731 nan 8.250 nan 0.000 0.463 302 W N 1.153 122.408 121.300 -0.074 0.000 5.563 302 W HA -0.213 4.443 4.660 -0.008 0.000 0.396 302 W C -0.363 176.180 176.519 0.041 0.000 1.519 302 W CA -0.455 56.875 57.345 -0.025 0.000 0.953 302 W CB -2.078 27.386 29.460 0.006 0.000 2.691 302 W HN 0.436 nan 8.180 nan 0.000 1.444 303 L N 1.515 122.818 121.223 0.133 0.000 2.540 303 L HA -0.013 4.322 4.340 -0.008 0.000 0.276 303 L C 1.716 178.738 176.870 0.253 0.000 1.212 303 L CA 1.434 56.356 54.840 0.137 0.000 0.893 303 L CB 0.375 42.436 42.059 0.004 0.000 1.138 303 L HN 0.229 nan 8.230 nan 0.000 0.491 304 R N 4.109 124.723 120.500 0.190 0.000 2.225 304 R HA 0.263 4.598 4.340 -0.008 0.000 0.194 304 R C 0.309 176.651 176.300 0.070 0.000 0.949 304 R CA -0.117 56.056 56.100 0.122 0.000 1.088 304 R CB 0.436 30.812 30.300 0.128 0.000 1.106 304 R HN 0.692 nan 8.270 nan 0.000 0.566 305 R N 0.397 120.967 120.500 0.117 0.000 2.668 305 R HA 0.412 4.747 4.340 -0.008 0.000 0.272 305 R C -1.950 174.458 176.300 0.180 0.000 1.019 305 R CA -0.588 55.583 56.100 0.117 0.000 0.894 305 R CB 2.687 33.051 30.300 0.106 0.000 1.228 305 R HN -0.019 nan 8.270 nan 0.000 0.460 306 V N 2.375 122.386 119.914 0.162 0.000 2.482 306 V HA 0.698 4.813 4.120 -0.008 0.000 0.295 306 V C -0.840 175.311 176.094 0.095 0.000 1.026 306 V CA -0.624 61.791 62.300 0.191 0.000 0.856 306 V CB 1.454 33.392 31.823 0.192 0.000 1.001 306 V HN 0.880 nan 8.190 nan 0.000 0.424 307 A N 4.532 127.374 122.820 0.037 0.000 2.371 307 A HA 0.862 5.177 4.320 -0.008 0.000 0.311 307 A C -0.865 176.712 177.584 -0.011 0.000 1.068 307 A CA -0.590 51.471 52.037 0.039 0.000 0.744 307 A CB 1.867 20.909 19.000 0.068 0.000 1.239 307 A HN 0.616 nan 8.150 nan 0.000 0.435 308 V N 2.170 122.086 119.914 0.005 0.000 2.432 308 V HA 0.563 4.678 4.120 -0.008 0.000 0.271 308 V C 0.577 176.823 176.094 0.253 0.000 1.046 308 V CA 0.116 62.444 62.300 0.048 0.000 0.945 308 V CB 0.951 32.672 31.823 -0.169 0.000 0.992 308 V HN 0.922 nan 8.190 nan 0.000 0.471 309 S N 6.347 122.214 115.700 0.279 0.000 2.548 309 S HA 0.609 5.074 4.470 -0.008 0.000 0.286 309 S C -1.989 172.683 174.600 0.120 0.000 1.098 309 S CA -1.552 56.778 58.200 0.217 0.000 0.930 309 S CB 2.456 65.703 63.200 0.078 0.000 1.070 309 S HN 0.508 nan 8.310 nan 0.000 0.480 310 P HA 0.148 nan 4.420 nan 0.000 0.233 310 P C -0.465 176.644 177.300 -0.319 0.000 1.167 310 P CA 0.708 63.263 63.100 -0.909 0.000 0.770 310 P CB -0.026 31.025 31.700 -1.081 0.000 0.837 311 D N -0.316 120.014 120.400 -0.117 0.000 2.419 311 D HA 0.233 4.869 4.640 -0.008 0.000 0.234 311 D C 0.298 176.510 176.300 -0.147 0.000 1.014 311 D CA -0.661 53.289 54.000 -0.084 0.000 0.919 311 D CB 1.734 42.463 40.800 -0.118 0.000 1.366 311 D HN -0.035 nan 8.370 nan 0.000 0.490 312 E N -0.028 119.916 120.200 -0.427 0.000 2.410 312 E HA 0.109 4.454 4.350 -0.008 0.000 0.255 312 E C 0.085 176.541 176.600 -0.239 0.000 1.194 312 E CA -0.085 55.986 56.400 -0.549 0.000 0.955 312 E CB 0.627 30.017 29.700 -0.515 0.000 0.988 312 E HN 0.194 nan 8.360 nan 0.000 0.461 313 S N 1.277 116.865 115.700 -0.186 0.000 2.549 313 S HA 0.024 4.489 4.470 -0.008 0.000 0.286 313 S C -1.620 172.920 174.600 -0.099 0.000 1.314 313 S CA -1.230 56.903 58.200 -0.111 0.000 1.062 313 S CB 0.535 63.685 63.200 -0.084 0.000 0.865 313 S HN 0.300 nan 8.310 nan 0.000 0.498 314 P HA 0.076 nan 4.420 nan 0.000 0.249 314 P C 0.399 177.657 177.300 -0.070 0.000 1.229 314 P CA -0.014 63.044 63.100 -0.069 0.000 0.788 314 P CB -0.122 31.549 31.700 -0.048 0.000 1.072 315 S N -0.000 115.665 115.700 -0.058 0.000 2.558 315 S HA -0.116 4.349 4.470 -0.008 0.000 0.287 315 S C 1.483 176.005 174.600 -0.129 0.000 1.321 315 S CA 0.082 58.251 58.200 -0.052 0.000 1.048 315 S CB -0.002 63.182 63.200 -0.027 0.000 0.844 315 S HN 0.255 nan 8.310 nan 0.000 0.512 316 H N 3.787 122.663 119.070 -0.322 0.000 2.390 316 H HA -0.091 4.460 4.556 -0.008 0.000 0.298 316 H C 1.369 176.345 175.328 -0.587 0.000 1.106 316 H CA 2.602 58.304 56.048 -0.577 0.000 1.297 316 H CB -0.024 29.142 29.762 -0.993 0.000 1.375 316 H HN 0.752 nan 8.280 nan 0.000 0.509 317 W N -0.160 120.984 121.300 -0.260 0.000 2.863 317 W HA 0.044 4.699 4.660 -0.009 0.000 0.258 317 W C 1.984 178.461 176.519 -0.070 0.000 1.298 317 W CA 0.640 57.880 57.345 -0.175 0.000 1.451 317 W CB -0.103 29.306 29.460 -0.086 0.000 1.107 317 W HN 0.392 nan 8.180 nan 0.000 0.641 318 Q N 0.359 120.164 119.800 0.009 0.000 2.165 318 Q HA -0.096 4.239 4.340 -0.008 0.000 0.197 318 Q C 2.177 178.138 176.000 -0.065 0.000 0.952 318 Q CA 1.394 57.195 55.803 -0.002 0.000 0.848 318 Q CB -0.139 28.571 28.738 -0.046 0.000 0.931 318 Q HN -0.024 nan 8.270 nan 0.000 0.470 319 Q N -0.291 119.409 119.800 -0.166 0.000 2.134 319 Q HA 0.154 4.489 4.340 -0.008 0.000 0.195 319 Q C 0.478 176.300 176.000 -0.298 0.000 0.958 319 Q CA 0.885 56.582 55.803 -0.176 0.000 0.840 319 Q CB 0.324 28.959 28.738 -0.171 0.000 0.918 319 Q HN 0.400 nan 8.270 nan 0.000 0.467 320 N N 0.855 119.183 118.700 -0.620 0.000 2.338 320 N HA 0.128 4.863 4.740 -0.008 0.000 0.251 320 N C -0.877 173.764 175.510 -1.448 0.000 1.199 320 N CA 0.114 52.506 53.050 -1.097 0.000 0.879 320 N CB 1.302 39.308 38.487 -0.802 0.000 1.159 320 N HN 0.098 nan 8.380 nan 0.000 0.514 321 D N -0.965 118.941 120.400 -0.823 0.000 2.665 321 D HA 0.250 4.885 4.640 -0.008 0.000 0.287 321 D C -0.872 175.499 176.300 0.119 0.000 1.266 321 D CA -0.330 53.425 54.000 -0.407 0.000 0.830 321 D CB 0.715 41.193 40.800 -0.537 0.000 1.356 321 D HN -0.060 nan 8.370 nan 0.000 0.437 322 Y N -0.691 119.766 120.300 0.262 0.000 3.125 322 Y HA -0.230 4.315 4.550 -0.008 0.000 0.200 322 Y C 0.151 176.129 175.900 0.130 0.000 1.373 322 Y CA 0.708 58.929 58.100 0.202 0.000 1.180 322 Y CB -1.400 37.178 38.460 0.196 0.000 1.381 322 Y HN 0.151 nan 8.280 nan 0.000 0.501 323 K N -0.508 120.028 120.400 0.227 0.000 2.433 323 K HA 0.850 5.165 4.320 -0.008 0.000 0.252 323 K C 0.463 176.834 176.600 -0.381 0.000 1.015 323 K CA -0.723 55.507 56.287 -0.096 0.000 0.860 323 K CB 2.373 34.767 32.500 -0.177 0.000 1.359 323 K HN 0.166 nan 8.250 nan 0.000 0.452 324 G N 0.749 109.187 108.800 -0.602 0.000 2.416 324 G HA2 0.700 4.655 3.960 -0.008 0.000 0.329 324 G HA3 0.700 4.655 3.960 -0.008 0.000 0.329 324 G C -1.319 173.039 174.900 -0.903 0.000 1.173 324 G CA -0.302 44.468 45.100 -0.551 0.000 0.929 324 G HN 0.255 nan 8.290 nan 0.000 0.475 325 F N -0.132 119.736 119.950 -0.136 0.000 2.620 325 F HA 0.613 5.136 4.527 -0.008 0.000 0.320 325 F C 0.714 176.462 175.800 -0.087 0.000 1.069 325 F CA -0.973 56.941 58.000 -0.144 0.000 0.953 325 F CB 2.155 41.016 39.000 -0.231 0.000 1.322 325 F HN 0.450 nan 8.300 nan 0.000 0.479 326 S N 2.622 118.416 115.700 0.157 0.000 2.568 326 S HA 0.128 4.593 4.470 -0.008 0.000 0.282 326 S C -1.412 173.271 174.600 0.138 0.000 1.338 326 S CA -1.018 57.245 58.200 0.104 0.000 1.045 326 S CB 0.596 63.843 63.200 0.079 0.000 0.873 326 S HN 0.433 nan 8.310 nan 0.000 0.516 327 P HA -0.006 nan 4.420 nan 0.000 0.231 327 P C 1.460 178.894 177.300 0.224 0.000 1.158 327 P CA 0.729 64.005 63.100 0.293 0.000 0.763 327 P CB -0.752 31.101 31.700 0.254 0.000 0.805 328 C N -2.794 116.572 119.300 0.111 0.000 2.514 328 C HA 0.177 4.632 4.460 -0.008 0.000 0.271 328 C C 1.244 176.255 174.990 0.036 0.000 1.399 328 C CA -0.535 58.515 59.018 0.053 0.000 1.765 328 C CB -1.516 26.237 27.740 0.023 0.000 1.893 328 C HN -0.066 nan 8.230 nan 0.000 0.531 329 V N 3.208 123.139 119.914 0.029 0.000 2.529 329 V HA 0.267 4.382 4.120 -0.008 0.000 0.292 329 V C 0.025 176.058 176.094 -0.102 0.000 1.028 329 V CA 1.133 63.379 62.300 -0.090 0.000 1.074 329 V CB 0.392 32.087 31.823 -0.214 0.000 0.958 329 V HN 0.493 nan 8.190 nan 0.000 0.481 330 D N 2.493 122.803 120.400 -0.149 0.000 2.654 330 D HA 0.334 4.969 4.640 -0.008 0.000 0.255 330 D C 0.490 176.620 176.300 -0.283 0.000 1.101 330 D CA -0.668 53.230 54.000 -0.170 0.000 1.116 330 D CB 1.149 41.954 40.800 0.009 0.000 1.348 330 D HN 0.389 nan 8.370 nan 0.000 0.609 331 W N 0.310 121.620 121.300 0.017 0.000 2.342 331 W HA -0.145 4.510 4.660 -0.008 0.000 0.297 331 W C 1.892 178.398 176.519 -0.021 0.000 1.213 331 W CA 1.223 58.566 57.345 -0.003 0.000 1.251 331 W CB -0.164 29.314 29.460 0.030 0.000 1.136 331 W HN 0.463 nan 8.180 nan 0.000 0.526 332 D N -0.877 119.622 120.400 0.166 0.000 2.348 332 D HA -0.104 4.531 4.640 -0.008 0.000 0.216 332 D C 1.449 177.760 176.300 0.018 0.000 0.970 332 D CA 1.808 55.862 54.000 0.090 0.000 0.889 332 D CB -1.088 39.757 40.800 0.075 0.000 0.912 332 D HN 0.298 nan 8.370 nan 0.000 0.524 333 T N -3.204 111.324 114.554 -0.043 0.000 2.958 333 T HA 0.173 4.518 4.350 -0.008 0.000 0.256 333 T C 0.787 175.378 174.700 -0.181 0.000 0.983 333 T CA -0.196 61.852 62.100 -0.088 0.000 0.924 333 T CB -0.177 68.639 68.868 -0.087 0.000 1.136 333 T HN 0.021 nan 8.240 nan 0.000 0.506 334 V N 2.908 122.650 119.914 -0.287 0.000 2.720 334 V HA 0.330 4.445 4.120 -0.008 0.000 0.307 334 V C -0.751 175.129 176.094 -0.357 0.000 1.071 334 V CA 0.618 62.588 62.300 -0.550 0.000 1.199 334 V CB 0.756 32.132 31.823 -0.745 0.000 0.900 334 V HN 0.591 nan 8.190 nan 0.000 0.494 335 D N 4.742 124.882 120.400 -0.434 0.000 2.478 335 D HA 0.232 4.867 4.640 -0.008 0.000 0.240 335 D C -0.137 176.152 176.300 -0.018 0.000 1.364 335 D CA -0.367 53.560 54.000 -0.122 0.000 0.987 335 D CB 0.856 41.626 40.800 -0.050 0.000 1.328 335 D HN 0.502 nan 8.370 nan 0.000 0.584 336 Y N 2.008 122.353 120.300 0.076 0.000 2.616 336 Y HA 0.047 4.592 4.550 -0.008 0.000 0.296 336 Y C 2.028 178.012 175.900 0.141 0.000 1.154 336 Y CA 0.639 58.879 58.100 0.233 0.000 1.325 336 Y CB 0.207 38.753 38.460 0.143 0.000 1.007 336 Y HN 0.282 nan 8.280 nan 0.000 0.542 337 R N -0.866 119.752 120.500 0.197 0.000 2.276 337 R HA -0.050 4.285 4.340 -0.008 0.000 0.203 337 R C 1.929 178.287 176.300 0.097 0.000 1.017 337 R CA 1.405 57.574 56.100 0.115 0.000 1.010 337 R CB -0.318 30.024 30.300 0.070 0.000 0.900 337 R HN 0.293 nan 8.270 nan 0.000 0.469 338 T N -2.947 111.684 114.554 0.129 0.000 3.129 338 T HA 0.418 4.763 4.350 -0.008 0.000 0.251 338 T C 0.469 175.213 174.700 0.074 0.000 1.117 338 T CA 0.076 62.236 62.100 0.100 0.000 1.034 338 T CB 0.422 69.357 68.868 0.112 0.000 0.968 338 T HN 0.113 nan 8.240 nan 0.000 0.526 339 A N 1.940 124.792 122.820 0.053 0.000 2.539 339 A HA 0.818 5.133 4.320 -0.008 0.000 0.296 339 A C -3.018 174.539 177.584 -0.046 0.000 1.073 339 A CA -1.961 50.030 52.037 -0.076 0.000 0.700 339 A CB 1.491 20.271 19.000 -0.368 0.000 1.296 339 A HN 0.184 nan 8.150 nan 0.000 0.405 340 P HA 0.508 nan 4.420 nan 0.000 0.282 340 P C -0.202 177.088 177.300 -0.016 0.000 1.259 340 P CA -0.151 62.937 63.100 -0.019 0.000 0.826 340 P CB 1.401 33.095 31.700 -0.010 0.000 1.064 341 A N 3.177 126.007 122.820 0.017 0.000 2.520 341 A HA 0.163 4.478 4.320 -0.008 0.000 0.245 341 A C 0.723 178.332 177.584 0.042 0.000 1.072 341 A CA -0.275 51.788 52.037 0.044 0.000 0.761 341 A CB -0.931 18.093 19.000 0.039 0.000 1.004 341 A HN 0.510 nan 8.150 nan 0.000 0.499 342 I N 2.675 123.282 120.570 0.062 0.000 2.741 342 I HA -0.077 4.088 4.170 -0.008 0.000 0.288 342 I C 1.205 177.354 176.117 0.054 0.000 1.192 342 I CA 0.376 61.708 61.300 0.053 0.000 1.426 342 I CB 0.281 38.323 38.000 0.071 0.000 1.367 342 I HN 0.769 nan 8.210 nan 0.000 0.563 343 Q N 4.691 124.523 119.800 0.053 0.000 2.160 343 Q HA 0.282 4.617 4.340 -0.008 0.000 0.166 343 Q C -0.052 175.993 176.000 0.075 0.000 0.592 343 Q CA -0.097 55.742 55.803 0.060 0.000 0.711 343 Q CB -0.044 28.731 28.738 0.062 0.000 1.157 343 Q HN 0.570 nan 8.270 nan 0.000 0.463 344 E N 1.389 121.635 120.200 0.075 0.000 2.398 344 E HA 0.202 4.547 4.350 -0.008 0.000 0.263 344 E C -0.438 176.212 176.600 0.084 0.000 1.046 344 E CA 0.045 56.497 56.400 0.087 0.000 0.908 344 E CB 0.621 30.357 29.700 0.060 0.000 0.963 344 E HN 0.141 nan 8.360 nan 0.000 0.431 345 L N 4.026 125.318 121.223 0.115 0.000 2.352 345 L HA 0.439 4.774 4.340 -0.008 0.000 0.269 345 L C -1.956 174.940 176.870 0.044 0.000 1.034 345 L CA -2.085 52.835 54.840 0.132 0.000 0.806 345 L CB 1.130 43.386 42.059 0.327 0.000 1.244 345 L HN 0.412 nan 8.230 nan 0.000 0.447 346 P HA 0.055 nan 4.420 nan 0.000 0.276 346 P C -0.508 176.817 177.300 0.042 0.000 1.261 346 P CA -0.321 62.798 63.100 0.031 0.000 0.800 346 P CB 1.243 32.974 31.700 0.050 0.000 1.066 347 V N 1.020 120.941 119.914 0.011 0.000 2.763 347 V HA 0.078 4.193 4.120 -0.008 0.000 0.306 347 V C -0.006 176.166 176.094 0.129 0.000 1.059 347 V CA 0.958 63.275 62.300 0.028 0.000 1.138 347 V CB 0.196 32.017 31.823 -0.004 0.000 0.940 347 V HN 0.722 nan 8.190 nan 0.000 0.489 348 Q N 4.647 124.571 119.800 0.206 0.000 2.391 348 Q HA 0.724 5.059 4.340 -0.008 0.000 0.279 348 Q C -1.123 175.049 176.000 0.286 0.000 1.028 348 Q CA -0.050 55.916 55.803 0.272 0.000 0.836 348 Q CB 2.483 31.454 28.738 0.389 0.000 1.414 348 Q HN 1.134 nan 8.270 nan 0.000 0.397 349 S N 0.786 116.606 115.700 0.199 0.000 2.588 349 S HA 1.046 5.511 4.470 -0.008 0.000 0.269 349 S C -1.423 173.124 174.600 -0.087 0.000 1.157 349 S CA -0.273 57.986 58.200 0.097 0.000 0.824 349 S CB 1.387 64.662 63.200 0.125 0.000 1.126 349 S HN 1.372 nan 8.310 nan 0.000 0.464 350 A N 0.391 123.029 122.820 -0.303 0.000 2.608 350 A HA 0.719 5.034 4.320 -0.008 0.000 0.292 350 A C -1.563 176.027 177.584 0.010 0.000 1.066 350 A CA -0.709 51.200 52.037 -0.213 0.000 0.676 350 A CB 1.185 19.812 19.000 -0.622 0.000 1.277 350 A HN 1.377 nan 8.150 nan 0.000 0.413 351 V N 2.012 122.139 119.914 0.355 0.000 2.350 351 V HA 0.400 4.515 4.120 -0.008 0.000 0.276 351 V C 1.347 177.490 176.094 0.081 0.000 1.028 351 V CA 0.556 62.968 62.300 0.187 0.000 0.860 351 V CB 0.711 32.649 31.823 0.192 0.000 0.990 351 V HN 1.207 nan 8.190 nan 0.000 0.453 352 T N 0.863 115.364 114.554 -0.088 0.000 3.051 352 T HA 0.128 4.473 4.350 -0.008 0.000 0.255 352 T C 0.496 175.171 174.700 -0.043 0.000 1.085 352 T CA 0.240 62.316 62.100 -0.039 0.000 1.109 352 T CB 0.309 69.132 68.868 -0.076 0.000 0.921 352 T HN 0.553 nan 8.240 nan 0.000 0.488 353 Q N 1.479 121.226 119.800 -0.088 0.000 2.268 353 Q HA 0.418 4.753 4.340 -0.008 0.000 0.266 353 Q C -3.072 172.902 176.000 -0.044 0.000 1.006 353 Q CA -2.389 53.376 55.803 -0.063 0.000 0.824 353 Q CB 2.859 31.543 28.738 -0.089 0.000 1.306 353 Q HN 0.075 nan 8.270 nan 0.000 0.424 354 P HA 0.233 nan 4.420 nan 0.000 0.289 354 P C -0.891 176.408 177.300 -0.001 0.000 1.299 354 P CA -0.401 62.692 63.100 -0.011 0.000 0.766 354 P CB 0.900 32.595 31.700 -0.008 0.000 1.226 355 R N -0.705 119.799 120.500 0.006 0.000 2.668 355 R HA 0.472 4.807 4.340 -0.008 0.000 0.279 355 R C -2.229 174.080 176.300 0.015 0.000 0.976 355 R CA -2.319 53.793 56.100 0.021 0.000 0.978 355 R CB -0.427 29.889 30.300 0.027 0.000 1.133 355 R HN 0.350 nan 8.270 nan 0.000 0.484 356 P HA -0.078 nan 4.420 nan 0.000 0.261 356 P C 0.643 177.952 177.300 0.015 0.000 1.165 356 P CA 1.247 64.356 63.100 0.015 0.000 0.759 356 P CB 0.308 32.029 31.700 0.035 0.000 0.772 357 G N 1.628 110.432 108.800 0.007 0.000 2.162 357 G HA2 -0.200 3.755 3.960 -0.008 0.000 0.260 357 G HA3 -0.200 3.755 3.960 -0.008 0.000 0.260 357 G C 0.515 175.418 174.900 0.006 0.000 0.976 357 G CA 0.032 45.136 45.100 0.008 0.000 0.655 357 G HN 0.857 nan 8.290 nan 0.000 0.533 358 A N -0.303 122.520 122.820 0.004 0.000 2.406 358 A HA 0.771 5.086 4.320 -0.008 0.000 0.243 358 A C 0.775 178.359 177.584 -0.001 0.000 1.082 358 A CA 1.038 53.077 52.037 0.002 0.000 0.786 358 A CB 0.653 19.653 19.000 0.001 0.000 1.029 358 A HN 2.119 nan 8.150 nan 0.000 0.495 359 A N 1.326 124.146 122.820 -0.000 0.000 2.409 359 A HA 0.556 4.871 4.320 -0.008 0.000 0.300 359 A C -0.120 177.462 177.584 -0.002 0.000 1.273 359 A CA -0.112 51.924 52.037 -0.002 0.000 0.774 359 A CB 0.180 19.179 19.000 -0.000 0.000 1.144 359 A HN 2.078 nan 8.150 nan 0.000 0.472 360 V N 0.633 120.544 119.914 -0.004 0.000 2.716 360 V HA 0.811 4.926 4.120 -0.008 0.000 0.304 360 V C -2.606 173.485 176.094 -0.005 0.000 1.053 360 V CA -2.350 59.948 62.300 -0.005 0.000 0.984 360 V CB 1.384 33.203 31.823 -0.006 0.000 1.021 360 V HN 0.630 nan 8.190 nan 0.000 0.467 361 P HA 0.389 nan 4.420 nan 0.000 0.278 361 P C -2.728 174.569 177.300 -0.005 0.000 1.238 361 P CA -1.707 61.391 63.100 -0.004 0.000 0.794 361 P CB 0.437 32.135 31.700 -0.003 0.000 0.955 362 P HA 0.180 nan 4.420 nan 0.000 0.272 362 P C 0.736 178.033 177.300 -0.005 0.000 1.240 362 P CA 0.705 63.801 63.100 -0.006 0.000 0.791 362 P CB 0.257 31.953 31.700 -0.006 0.000 0.978 363 G N 1.073 109.870 108.800 -0.006 0.000 2.955 363 G HA2 -0.130 3.825 3.960 -0.008 0.000 0.230 363 G HA3 -0.130 3.825 3.960 -0.008 0.000 0.230 363 G C -0.788 174.109 174.900 -0.005 0.000 1.587 363 G CA -0.307 44.791 45.100 -0.005 0.000 1.216 363 G HN 0.595 nan 8.290 nan 0.000 0.527 364 E N -0.331 119.867 120.200 -0.003 0.000 2.277 364 E HA 0.697 5.042 4.350 -0.008 0.000 0.266 364 E C -1.390 175.209 176.600 -0.001 0.000 0.901 364 E CA -0.790 55.609 56.400 -0.002 0.000 0.782 364 E CB 2.629 32.328 29.700 -0.000 0.000 1.228 364 E HN 0.654 nan 8.360 nan 0.000 0.424 365 L N 0.733 121.956 121.223 0.001 0.000 2.464 365 L HA 0.411 4.746 4.340 -0.008 0.000 0.266 365 L C -1.244 175.632 176.870 0.010 0.000 0.965 365 L CA -0.090 54.752 54.840 0.002 0.000 0.833 365 L CB 2.316 44.375 42.059 0.000 0.000 1.296 365 L HN 0.396 nan 8.230 nan 0.000 0.405 366 T N 4.586 119.143 114.554 0.006 0.000 2.853 366 T HA 0.461 4.806 4.350 -0.008 0.000 0.317 366 T C -0.269 174.437 174.700 0.009 0.000 1.059 366 T CA -0.275 61.832 62.100 0.011 0.000 0.954 366 T CB 0.534 69.401 68.868 -0.002 0.000 0.994 366 T HN 0.385 nan 8.240 nan 0.000 0.479 367 V N 5.086 125.031 119.914 0.052 0.000 2.614 367 V HA 0.375 4.490 4.120 -0.008 0.000 0.291 367 V C 0.391 176.479 176.094 -0.010 0.000 1.049 367 V CA -0.235 62.108 62.300 0.071 0.000 1.038 367 V CB 0.647 32.584 31.823 0.190 0.000 0.980 367 V HN 0.714 nan 8.190 nan 0.000 0.481 368 K N 2.445 122.689 120.400 -0.260 0.000 2.482 368 K HA 0.876 5.191 4.320 -0.008 0.000 0.257 368 K C -0.037 175.888 176.600 -1.125 0.000 0.969 368 K CA -0.576 55.300 56.287 -0.684 0.000 0.842 368 K CB 2.689 34.948 32.500 -0.402 0.000 1.359 368 K HN 0.909 nan 8.250 nan 0.000 0.441 369 G N 0.287 108.056 108.800 -1.718 0.000 2.427 369 G HA2 0.368 4.323 3.960 -0.008 0.000 0.306 369 G HA3 0.368 4.323 3.960 -0.008 0.000 0.306 369 G C -2.202 172.027 174.900 -1.117 0.000 1.280 369 G CA -0.707 43.620 45.100 -1.288 0.000 0.837 369 G HN 0.542 nan 8.290 nan 0.000 0.482 370 Y N -1.553 118.500 120.300 -0.412 0.000 2.598 370 Y HA 0.921 5.466 4.550 -0.008 0.000 0.340 370 Y C -0.107 176.013 175.900 0.367 0.000 1.038 370 Y CA -1.445 56.555 58.100 -0.166 0.000 1.100 370 Y CB 1.801 40.060 38.460 -0.335 0.000 1.281 370 Y HN 1.412 nan 8.280 nan 0.000 0.488 371 A N 1.101 124.297 122.820 0.627 0.000 2.574 371 A HA 0.698 5.013 4.320 -0.008 0.000 0.297 371 A C -2.315 175.655 177.584 0.643 0.000 1.062 371 A CA -0.531 51.837 52.037 0.551 0.000 0.686 371 A CB 1.075 20.284 19.000 0.350 0.000 1.285 371 A HN 1.090 nan 8.150 nan 0.000 0.403 372 W N 0.804 122.302 121.300 0.331 0.000 3.275 372 W HA 0.638 5.294 4.660 -0.007 0.000 0.306 372 W C -1.083 175.545 176.519 0.183 0.000 1.259 372 W CA 0.235 57.747 57.345 0.278 0.000 1.194 372 W CB 1.536 31.191 29.460 0.324 0.000 1.375 372 W HN 1.174 nan 8.180 nan 0.000 0.564 373 S N 1.917 117.076 115.700 -0.902 0.000 2.564 373 S HA 0.754 5.219 4.470 -0.008 0.000 0.274 373 S C -0.228 173.516 174.600 -1.426 0.000 1.124 373 S CA -0.061 57.628 58.200 -0.851 0.000 0.869 373 S CB 1.025 63.989 63.200 -0.394 0.000 1.105 373 S HN 1.055 nan 8.310 nan 0.000 0.472 374 G N 0.521 108.785 108.800 -0.892 0.000 2.616 374 G HA2 0.468 4.423 3.960 -0.008 0.000 0.268 374 G HA3 0.468 4.423 3.960 -0.008 0.000 0.268 374 G C 1.046 175.820 174.900 -0.210 0.000 1.213 374 G CA 0.081 44.868 45.100 -0.522 0.000 0.926 374 G HN 1.906 nan 8.290 nan 0.000 0.523 375 G N -1.756 107.065 108.800 0.036 0.000 2.203 375 G HA2 0.193 4.148 3.960 -0.008 0.000 0.263 375 G HA3 0.193 4.148 3.960 -0.008 0.000 0.263 375 G C 1.446 176.397 174.900 0.086 0.000 1.012 375 G CA 1.217 46.397 45.100 0.134 0.000 0.749 375 G HN 2.560 nan 8.290 nan 0.000 0.512 376 G N -1.721 107.076 108.800 -0.005 0.000 2.176 376 G HA2 -0.272 3.683 3.960 -0.008 0.000 0.253 376 G HA3 -0.272 3.683 3.960 -0.008 0.000 0.253 376 G C 0.415 175.083 174.900 -0.386 0.000 0.979 376 G CA 0.781 45.568 45.100 -0.523 0.000 0.641 376 G HN 1.026 nan 8.290 nan 0.000 0.530 377 R N 1.373 121.712 120.500 -0.269 0.000 2.347 377 R HA 0.435 4.770 4.340 -0.008 0.000 0.304 377 R C 0.830 176.986 176.300 -0.241 0.000 1.072 377 R CA 0.136 56.094 56.100 -0.236 0.000 0.980 377 R CB 0.488 30.668 30.300 -0.200 0.000 0.986 377 R HN 0.754 nan 8.270 nan 0.000 0.448 378 E N 1.377 121.461 120.200 -0.194 0.000 2.349 378 E HA 0.215 4.560 4.350 -0.008 0.000 0.262 378 E C -0.684 175.835 176.600 -0.134 0.000 1.088 378 E CA -0.866 55.449 56.400 -0.141 0.000 0.899 378 E CB 0.901 30.536 29.700 -0.108 0.000 1.044 378 E HN 0.104 nan 8.360 nan 0.000 0.420 379 V N 2.813 122.685 119.914 -0.071 0.000 2.455 379 V HA 0.009 4.124 4.120 -0.008 0.000 0.273 379 V C 1.006 177.052 176.094 -0.080 0.000 1.045 379 V CA -0.066 62.198 62.300 -0.059 0.000 0.976 379 V CB 0.995 32.838 31.823 0.032 0.000 0.993 379 V HN 0.745 nan 8.190 nan 0.000 0.475 380 V N 2.500 122.331 119.914 -0.137 0.000 3.565 380 V HA 0.465 4.580 4.120 -0.008 0.000 0.260 380 V C 0.683 176.711 176.094 -0.110 0.000 1.231 380 V CA 0.343 62.558 62.300 -0.141 0.000 1.100 380 V CB -0.219 31.463 31.823 -0.234 0.000 0.807 380 V HN 0.788 nan 8.190 nan 0.000 0.454 381 R N -0.853 119.577 120.500 -0.116 0.000 2.664 381 R HA 0.677 5.012 4.340 -0.008 0.000 0.266 381 R C -2.418 173.780 176.300 -0.169 0.000 1.046 381 R CA -0.407 55.621 56.100 -0.120 0.000 0.885 381 R CB 2.712 32.947 30.300 -0.107 0.000 1.254 381 R HN 0.053 nan 8.270 nan 0.000 0.465 382 V N 3.098 122.871 119.914 -0.234 0.000 2.569 382 V HA 0.331 4.446 4.120 -0.008 0.000 0.301 382 V C -1.096 174.772 176.094 -0.377 0.000 1.044 382 V CA -0.837 61.230 62.300 -0.389 0.000 0.874 382 V CB 1.958 33.370 31.823 -0.686 0.000 1.002 382 V HN 0.682 nan 8.190 nan 0.000 0.424 383 D N 3.231 123.433 120.400 -0.331 0.000 2.177 383 D HA 0.642 5.277 4.640 -0.008 0.000 0.247 383 D C -0.577 175.665 176.300 -0.097 0.000 1.063 383 D CA -0.026 53.861 54.000 -0.188 0.000 0.867 383 D CB 2.499 43.122 40.800 -0.294 0.000 1.168 383 D HN 0.261 nan 8.370 nan 0.000 0.445 384 V N 0.985 120.898 119.914 -0.002 0.000 2.789 384 V HA 0.555 4.670 4.120 -0.008 0.000 0.311 384 V C -0.091 175.961 176.094 -0.069 0.000 1.073 384 V CA -0.681 61.580 62.300 -0.065 0.000 0.921 384 V CB 2.083 33.806 31.823 -0.167 0.000 1.009 384 V HN 0.545 nan 8.190 nan 0.000 0.426 385 S N 3.013 118.540 115.700 -0.289 0.000 2.568 385 S HA 0.742 5.207 4.470 -0.008 0.000 0.293 385 S C -0.164 174.234 174.600 -0.337 0.000 1.089 385 S CA -0.605 57.271 58.200 -0.540 0.000 0.945 385 S CB 1.790 64.238 63.200 -1.253 0.000 1.077 385 S HN 0.607 nan 8.310 nan 0.000 0.485 386 L N 1.772 122.826 121.223 -0.282 0.000 2.966 386 L HA 0.373 4.708 4.340 -0.008 0.000 0.262 386 L C -0.179 176.590 176.870 -0.168 0.000 1.165 386 L CA -0.035 54.699 54.840 -0.176 0.000 0.978 386 L CB 0.310 42.300 42.059 -0.116 0.000 1.337 386 L HN 0.696 nan 8.230 nan 0.000 0.563 387 D N -0.556 119.708 120.400 -0.226 0.000 2.980 387 D HA 0.268 4.903 4.640 -0.008 0.000 0.333 387 D C 1.124 177.309 176.300 -0.191 0.000 1.356 387 D CA -0.065 53.831 54.000 -0.174 0.000 0.847 387 D CB 0.468 41.177 40.800 -0.152 0.000 1.122 387 D HN 0.108 nan 8.370 nan 0.000 0.475 388 G N -0.352 108.333 108.800 -0.192 0.000 2.168 388 G HA2 -0.081 3.874 3.960 -0.008 0.000 0.263 388 G HA3 -0.081 3.874 3.960 -0.008 0.000 0.263 388 G C 1.103 175.913 174.900 -0.151 0.000 0.977 388 G CA 0.300 45.322 45.100 -0.130 0.000 0.659 388 G HN 1.558 nan 8.290 nan 0.000 0.533 389 G N -1.511 107.017 108.800 -0.454 0.000 2.154 389 G HA2 -0.170 3.785 3.960 -0.008 0.000 0.186 389 G HA3 -0.170 3.785 3.960 -0.008 0.000 0.186 389 G C 0.877 175.519 174.900 -0.430 0.000 1.000 389 G CA 0.933 45.636 45.100 -0.662 0.000 0.664 389 G HN 0.918 nan 8.290 nan 0.000 0.513 390 R N 0.023 120.290 120.500 -0.389 0.000 2.128 390 R HA 0.237 4.572 4.340 -0.008 0.000 0.211 390 R C 1.205 177.382 176.300 -0.204 0.000 1.067 390 R CA 1.449 57.459 56.100 -0.151 0.000 1.010 390 R CB 0.143 30.392 30.300 -0.085 0.000 0.922 390 R HN 0.607 nan 8.270 nan 0.000 0.457 391 T N -2.042 112.237 114.554 -0.459 0.000 2.893 391 T HA 0.533 4.878 4.350 -0.008 0.000 0.293 391 T C -1.296 173.098 174.700 -0.510 0.000 1.027 391 T CA -0.890 61.041 62.100 -0.281 0.000 0.988 391 T CB 1.640 70.426 68.868 -0.137 0.000 1.043 391 T HN 0.126 nan 8.240 nan 0.000 0.461 392 W N 0.873 122.118 121.300 -0.091 0.000 2.864 392 W HA 0.735 5.391 4.660 -0.007 0.000 0.343 392 W C -0.278 176.179 176.519 -0.103 0.000 1.109 392 W CA -0.897 56.373 57.345 -0.125 0.000 1.192 392 W CB 2.045 31.410 29.460 -0.157 0.000 1.426 392 W HN 0.675 nan 8.180 nan 0.000 0.529 393 K N 0.678 121.144 120.400 0.111 0.000 2.443 393 K HA 0.695 5.011 4.320 -0.008 0.000 0.251 393 K C -1.329 175.274 176.600 0.006 0.000 0.972 393 K CA -1.199 55.111 56.287 0.038 0.000 0.833 393 K CB 2.523 35.025 32.500 0.004 0.000 1.317 393 K HN 0.139 nan 8.250 nan 0.000 0.441 394 V N 2.020 121.924 119.914 -0.016 0.000 2.432 394 V HA 0.323 4.438 4.120 -0.008 0.000 0.275 394 V C 0.171 176.235 176.094 -0.049 0.000 1.043 394 V CA -0.521 61.748 62.300 -0.051 0.000 0.925 394 V CB 0.990 32.790 31.823 -0.038 0.000 0.985 394 V HN 0.909 nan 8.190 nan 0.000 0.466 395 A N 5.600 128.360 122.820 -0.100 0.000 2.287 395 A HA 0.589 4.904 4.320 -0.008 0.000 0.273 395 A C 0.353 177.947 177.584 0.017 0.000 1.091 395 A CA -0.516 51.501 52.037 -0.033 0.000 0.817 395 A CB 0.351 19.272 19.000 -0.131 0.000 1.069 395 A HN 0.836 nan 8.150 nan 0.000 0.492 396 R N 1.232 121.787 120.500 0.091 0.000 2.265 396 R HA 0.448 4.783 4.340 -0.008 0.000 0.314 396 R C -1.162 175.215 176.300 0.128 0.000 1.053 396 R CA -0.299 55.849 56.100 0.080 0.000 0.931 396 R CB 0.136 30.478 30.300 0.070 0.000 1.024 396 R HN 0.677 nan 8.270 nan 0.000 0.457 397 L N 5.815 127.090 121.223 0.086 0.000 2.290 397 L HA 0.326 4.661 4.340 -0.008 0.000 0.284 397 L C 0.002 176.909 176.870 0.061 0.000 1.078 397 L CA -0.645 54.258 54.840 0.104 0.000 0.815 397 L CB 1.303 43.402 42.059 0.067 0.000 1.162 397 L HN 0.482 nan 8.230 nan 0.000 0.435 398 M N 2.461 122.093 119.600 0.054 0.000 2.478 398 M HA 0.785 5.260 4.480 -0.008 0.000 0.327 398 M C 0.497 176.780 176.300 -0.029 0.000 1.187 398 M CA -0.445 54.853 55.300 -0.003 0.000 1.022 398 M CB 1.209 33.796 32.600 -0.022 0.000 1.629 398 M HN 0.779 nan 8.290 nan 0.000 0.461 399 G N 1.462 110.206 108.800 -0.093 0.000 2.320 399 G HA2 0.136 4.091 3.960 -0.008 0.000 0.274 399 G HA3 0.136 4.091 3.960 -0.008 0.000 0.274 399 G C -2.119 172.696 174.900 -0.141 0.000 1.324 399 G CA -0.812 44.187 45.100 -0.167 0.000 0.957 399 G HN 0.601 nan 8.290 nan 0.000 0.481 400 D N 0.398 120.723 120.400 -0.125 0.000 2.964 400 D HA 0.330 4.965 4.640 -0.008 0.000 0.234 400 D C -0.408 175.872 176.300 -0.033 0.000 1.223 400 D CA -0.601 53.352 54.000 -0.077 0.000 0.889 400 D CB 2.522 43.268 40.800 -0.090 0.000 1.609 400 D HN 0.608 nan 8.370 nan 0.000 0.523 401 K N 1.164 121.548 120.400 -0.026 0.000 2.484 401 K HA 0.309 4.624 4.320 -0.008 0.000 0.280 401 K C -0.300 176.289 176.600 -0.018 0.000 1.013 401 K CA -0.079 56.195 56.287 -0.022 0.000 1.029 401 K CB 0.572 33.056 32.500 -0.027 0.000 0.902 401 K HN 0.449 nan 8.250 nan 0.000 0.481 402 A N 5.593 128.399 122.820 -0.024 0.000 2.252 402 A HA 0.538 4.853 4.320 -0.008 0.000 0.305 402 A C -2.382 175.163 177.584 -0.064 0.000 1.097 402 A CA -1.673 50.344 52.037 -0.033 0.000 0.849 402 A CB 0.217 19.183 19.000 -0.055 0.000 1.142 402 A HN 0.651 nan 8.150 nan 0.000 0.499 403 P HA 0.218 nan 4.420 nan 0.000 0.270 403 P C -2.525 174.709 177.300 -0.110 0.000 1.223 403 P CA -0.785 62.278 63.100 -0.062 0.000 0.785 403 P CB -0.374 31.307 31.700 -0.031 0.000 0.923 404 P HA -0.024 nan 4.420 nan 0.000 0.264 404 P C 0.946 178.159 177.300 -0.145 0.000 1.183 404 P CA 1.113 64.150 63.100 -0.105 0.000 0.763 404 P CB -0.010 31.651 31.700 -0.065 0.000 0.807 405 G N 3.287 111.967 108.800 -0.199 0.000 2.189 405 G HA2 -0.318 3.637 3.960 -0.008 0.000 0.267 405 G HA3 -0.318 3.637 3.960 -0.008 0.000 0.267 405 G C 0.598 175.199 174.900 -0.499 0.000 0.975 405 G CA 0.008 44.958 45.100 -0.251 0.000 0.644 405 G HN 0.615 nan 8.290 nan 0.000 0.537 406 R N -0.290 119.845 120.500 -0.609 0.000 2.727 406 R HA 0.517 4.852 4.340 -0.008 0.000 0.410 406 R C 0.848 176.448 176.300 -1.167 0.000 1.101 406 R CA 0.305 55.732 56.100 -1.120 0.000 1.045 406 R CB 0.865 30.919 30.300 -0.410 0.000 1.380 406 R HN 0.448 nan 8.270 nan 0.000 0.587 407 A N 0.507 122.840 122.820 -0.812 0.000 3.056 407 A HA 0.093 4.408 4.320 -0.008 0.000 0.274 407 A C 0.264 177.768 177.584 -0.134 0.000 1.661 407 A CA -0.584 51.238 52.037 -0.358 0.000 1.363 407 A CB -0.699 18.180 19.000 -0.202 0.000 1.139 407 A HN 0.611 nan 8.150 nan 0.000 0.598 408 W N 1.571 122.984 121.300 0.187 0.000 2.584 408 W HA 0.265 4.921 4.660 -0.007 0.000 0.264 408 W C 1.232 178.011 176.519 0.433 0.000 1.264 408 W CA 0.294 57.805 57.345 0.277 0.000 1.306 408 W CB 0.244 29.822 29.460 0.197 0.000 1.110 408 W HN 0.604 nan 8.180 nan 0.000 0.606 409 A N 1.007 124.162 122.820 0.558 0.000 2.303 409 A HA 0.460 4.775 4.320 -0.008 0.000 0.317 409 A C -0.376 177.642 177.584 0.723 0.000 1.149 409 A CA -0.862 51.468 52.037 0.487 0.000 0.822 409 A CB 0.062 19.343 19.000 0.468 0.000 1.131 409 A HN 0.208 nan 8.150 nan 0.000 0.493 410 W N 0.889 122.450 121.300 0.433 0.000 2.042 410 W HA 0.523 5.178 4.660 -0.009 0.000 0.358 410 W C -0.039 176.743 176.519 0.437 0.000 1.325 410 W CA -1.142 56.498 57.345 0.492 0.000 1.311 410 W CB -0.538 29.045 29.460 0.205 0.000 1.210 410 W HN 0.917 nan 8.180 nan 0.000 0.620 411 A N 2.332 125.478 122.820 0.543 0.000 2.330 411 A HA 0.689 5.004 4.320 -0.008 0.000 0.313 411 A C -0.912 176.745 177.584 0.121 0.000 1.124 411 A CA -0.970 51.250 52.037 0.305 0.000 0.774 411 A CB 0.392 19.553 19.000 0.269 0.000 1.198 411 A HN 0.668 nan 8.150 nan 0.000 0.465 412 L N 3.477 124.668 121.223 -0.054 0.000 2.334 412 L HA 0.619 4.954 4.340 -0.008 0.000 0.277 412 L C -0.088 176.774 176.870 -0.013 0.000 1.075 412 L CA -0.573 54.140 54.840 -0.211 0.000 0.804 412 L CB 0.899 42.778 42.059 -0.301 0.000 1.174 412 L HN 0.889 nan 8.230 nan 0.000 0.438 413 W N 2.482 123.739 121.300 -0.072 0.000 3.047 413 W HA 0.738 5.394 4.660 -0.007 0.000 0.341 413 W C -1.267 175.225 176.519 -0.045 0.000 1.225 413 W CA -0.819 56.498 57.345 -0.045 0.000 1.150 413 W CB 1.641 31.083 29.460 -0.031 0.000 1.470 413 W HN 0.667 nan 8.180 nan 0.000 0.578 414 E N 0.729 121.162 120.200 0.388 0.000 2.423 414 E HA 0.714 5.059 4.350 -0.008 0.000 0.280 414 E C -2.475 174.310 176.600 0.307 0.000 1.030 414 E CA -1.101 55.461 56.400 0.271 0.000 0.812 414 E CB 2.687 32.402 29.700 0.025 0.000 1.313 414 E HN 0.371 nan 8.360 nan 0.000 0.456 415 L N 0.698 122.067 121.223 0.243 0.000 2.505 415 L HA 0.492 4.827 4.340 -0.008 0.000 0.266 415 L C -1.556 175.370 176.870 0.093 0.000 0.954 415 L CA 0.125 55.058 54.840 0.155 0.000 0.852 415 L CB 2.521 44.679 42.059 0.166 0.000 1.282 415 L HN 0.755 nan 8.230 nan 0.000 0.403 416 T N 4.081 118.668 114.554 0.055 0.000 2.795 416 T HA 0.732 5.077 4.350 -0.008 0.000 0.282 416 T C -1.056 173.658 174.700 0.023 0.000 0.980 416 T CA -0.358 61.761 62.100 0.032 0.000 1.012 416 T CB 1.501 70.382 68.868 0.021 0.000 0.936 416 T HN 0.542 nan 8.240 nan 0.000 0.457 417 V N 5.225 125.148 119.914 0.016 0.000 2.932 417 V HA 0.570 4.685 4.120 -0.008 0.000 0.307 417 V C -2.842 173.252 176.094 -0.001 0.000 1.147 417 V CA -2.565 59.739 62.300 0.007 0.000 0.951 417 V CB 2.668 34.494 31.823 0.006 0.000 1.031 417 V HN 0.590 nan 8.190 nan 0.000 0.426 418 P HA 0.360 nan 4.420 nan 0.000 0.276 418 P C -1.244 176.049 177.300 -0.013 0.000 1.230 418 P CA 0.075 63.170 63.100 -0.008 0.000 0.776 418 P CB 0.918 32.613 31.700 -0.008 0.000 0.888 419 V N -0.009 119.898 119.914 -0.011 0.000 2.638 419 V HA 0.523 4.638 4.120 -0.008 0.000 0.306 419 V C -0.308 175.778 176.094 -0.013 0.000 1.052 419 V CA -0.884 61.408 62.300 -0.014 0.000 0.885 419 V CB 2.083 33.898 31.823 -0.013 0.000 0.999 419 V HN 0.350 nan 8.190 nan 0.000 0.424 420 E N 2.491 122.683 120.200 -0.014 0.000 2.283 420 E HA 0.686 5.031 4.350 -0.008 0.000 0.267 420 E C 0.117 176.710 176.600 -0.011 0.000 1.045 420 E CA -0.639 55.754 56.400 -0.012 0.000 0.884 420 E CB 2.031 31.723 29.700 -0.013 0.000 1.106 420 E HN 1.081 nan 8.360 nan 0.000 0.408 421 A N 0.707 123.521 122.820 -0.009 0.000 2.440 421 A HA 0.451 4.766 4.320 -0.008 0.000 0.251 421 A C 1.123 178.702 177.584 -0.008 0.000 1.089 421 A CA 0.631 52.663 52.037 -0.008 0.000 0.779 421 A CB -0.205 18.792 19.000 -0.006 0.000 1.022 421 A HN 0.796 nan 8.150 nan 0.000 0.492 422 G N 1.477 110.272 108.800 -0.008 0.000 2.225 422 G HA2 -0.236 3.719 3.960 -0.008 0.000 0.254 422 G HA3 -0.236 3.719 3.960 -0.008 0.000 0.254 422 G C 0.636 175.530 174.900 -0.010 0.000 0.988 422 G CA 1.119 46.215 45.100 -0.008 0.000 0.625 422 G HN 1.874 nan 8.290 nan 0.000 0.527 423 T N -0.783 113.764 114.554 -0.012 0.000 2.788 423 T HA 0.639 4.984 4.350 -0.008 0.000 0.287 423 T C -0.222 174.468 174.700 -0.017 0.000 1.007 423 T CA -0.284 61.807 62.100 -0.016 0.000 1.005 423 T CB 2.204 71.060 68.868 -0.019 0.000 1.012 423 T HN 0.186 nan 8.240 nan 0.000 0.530 424 E N 0.578 120.766 120.200 -0.020 0.000 2.212 424 E HA 0.565 4.910 4.350 -0.008 0.000 0.268 424 E C -0.699 175.883 176.600 -0.030 0.000 0.902 424 E CA -0.631 55.756 56.400 -0.021 0.000 0.779 424 E CB 2.124 31.813 29.700 -0.018 0.000 1.172 424 E HN 0.573 nan 8.360 nan 0.000 0.409 425 L N 0.857 122.060 121.223 -0.033 0.000 2.370 425 L HA 0.496 4.831 4.340 -0.008 0.000 0.266 425 L C -0.010 176.830 176.870 -0.050 0.000 1.002 425 L CA -0.770 54.042 54.840 -0.046 0.000 0.818 425 L CB 2.087 44.119 42.059 -0.045 0.000 1.325 425 L HN 0.428 nan 8.230 nan 0.000 0.418 426 E N 2.798 122.957 120.200 -0.068 0.000 2.331 426 E HA 0.421 4.766 4.350 -0.008 0.000 0.243 426 E C -1.159 175.380 176.600 -0.101 0.000 0.925 426 E CA -0.463 55.895 56.400 -0.068 0.000 0.760 426 E CB 1.185 30.853 29.700 -0.054 0.000 1.254 426 E HN 0.483 nan 8.360 nan 0.000 0.419 427 I N 4.087 124.604 120.570 -0.089 0.000 2.441 427 I HA 0.246 4.411 4.170 -0.008 0.000 0.287 427 I C -0.349 175.709 176.117 -0.098 0.000 1.049 427 I CA -0.626 60.618 61.300 -0.094 0.000 1.381 427 I CB 1.164 39.136 38.000 -0.047 0.000 1.409 427 I HN 0.232 nan 8.210 nan 0.000 0.523 428 V N 5.431 125.269 119.914 -0.127 0.000 2.760 428 V HA 0.432 4.547 4.120 -0.008 0.000 0.309 428 V C -0.351 175.712 176.094 -0.051 0.000 1.077 428 V CA -0.690 61.561 62.300 -0.082 0.000 0.910 428 V CB 1.932 33.648 31.823 -0.178 0.000 1.008 428 V HN 1.000 nan 8.190 nan 0.000 0.424 429 C N 3.207 122.520 119.300 0.023 0.000 2.634 429 C HA 1.009 5.464 4.460 -0.008 0.000 0.313 429 C C -0.783 174.156 174.990 -0.085 0.000 1.198 429 C CA -0.881 58.103 59.018 -0.058 0.000 1.605 429 C CB 1.313 29.018 27.740 -0.059 0.000 2.196 429 C HN 1.103 nan 8.230 nan 0.000 0.486 430 K N 2.365 122.634 120.400 -0.219 0.000 2.523 430 K HA 0.850 5.165 4.320 -0.008 0.000 0.257 430 K C -1.118 175.356 176.600 -0.210 0.000 0.932 430 K CA -0.294 55.866 56.287 -0.212 0.000 0.812 430 K CB 1.982 34.184 32.500 -0.496 0.000 1.326 430 K HN 1.225 nan 8.250 nan 0.000 0.433 431 A N 1.798 124.561 122.820 -0.096 0.000 2.386 431 A HA 0.805 5.120 4.320 -0.008 0.000 0.308 431 A C -1.146 176.395 177.584 -0.072 0.000 1.128 431 A CA -0.836 51.139 52.037 -0.103 0.000 0.789 431 A CB 1.851 20.829 19.000 -0.036 0.000 1.325 431 A HN 0.418 nan 8.150 nan 0.000 0.437 432 V N 1.848 121.705 119.914 -0.095 0.000 2.686 432 V HA 0.460 4.575 4.120 -0.008 0.000 0.306 432 V C -1.000 175.000 176.094 -0.156 0.000 1.065 432 V CA -0.671 61.568 62.300 -0.102 0.000 0.894 432 V CB 1.816 33.578 31.823 -0.101 0.000 1.004 432 V HN 1.123 nan 8.190 nan 0.000 0.424 433 D N 2.139 122.434 120.400 -0.174 0.000 2.569 433 D HA 0.298 4.933 4.640 -0.008 0.000 0.266 433 D C 1.342 177.448 176.300 -0.323 0.000 1.164 433 D CA 0.072 53.945 54.000 -0.211 0.000 1.071 433 D CB 1.047 41.744 40.800 -0.171 0.000 1.183 433 D HN 0.437 nan 8.370 nan 0.000 0.613 434 S N -1.197 114.340 115.700 -0.272 0.000 2.440 434 S HA -0.195 4.270 4.470 -0.008 0.000 0.238 434 S C 1.700 176.165 174.600 -0.224 0.000 1.010 434 S CA 1.187 59.220 58.200 -0.278 0.000 0.972 434 S CB -0.642 62.446 63.200 -0.187 0.000 0.774 434 S HN 0.471 nan 8.310 nan 0.000 0.501 435 S N -0.557 115.051 115.700 -0.154 0.000 2.575 435 S HA 0.161 4.626 4.470 -0.008 0.000 0.215 435 S C -0.090 174.546 174.600 0.061 0.000 0.966 435 S CA -0.491 57.686 58.200 -0.039 0.000 0.911 435 S CB -0.872 62.307 63.200 -0.035 0.000 0.780 435 S HN 0.544 nan 8.310 nan 0.000 0.514 436 Y N 0.907 121.179 120.300 -0.046 0.000 3.929 436 Y HA -0.191 4.356 4.550 -0.004 0.000 0.225 436 Y C 0.224 176.101 175.900 -0.039 0.000 1.200 436 Y CA 0.318 58.391 58.100 -0.045 0.000 1.791 436 Y CB -2.525 35.909 38.460 -0.042 0.000 1.561 436 Y HN 0.339 nan 8.280 nan 0.000 0.657 437 N N 0.579 119.300 118.700 0.035 0.000 2.530 437 N HA 0.583 5.318 4.740 -0.008 0.000 0.277 437 N C 0.085 175.607 175.510 0.020 0.000 1.168 437 N CA 0.444 53.509 53.050 0.025 0.000 0.979 437 N CB 1.715 40.200 38.487 -0.002 0.000 1.141 437 N HN 0.161 nan 8.380 nan 0.000 0.459 438 V N -0.828 119.108 119.914 0.037 0.000 3.102 438 V HA 0.485 4.600 4.120 -0.008 0.000 0.312 438 V C -0.320 175.824 176.094 0.084 0.000 1.135 438 V CA -1.069 61.262 62.300 0.051 0.000 1.022 438 V CB 1.858 33.714 31.823 0.054 0.000 1.056 438 V HN 0.475 nan 8.190 nan 0.000 0.436 439 Q N 2.711 122.598 119.800 0.145 0.000 2.293 439 Q HA 0.467 4.802 4.340 -0.008 0.000 0.251 439 Q C -2.386 173.729 176.000 0.193 0.000 0.930 439 Q CA -1.612 54.312 55.803 0.202 0.000 0.893 439 Q CB 1.514 30.444 28.738 0.321 0.000 1.215 439 Q HN 0.685 nan 8.270 nan 0.000 0.425 440 P HA 0.070 nan 4.420 nan 0.000 0.276 440 P C -0.656 176.263 177.300 -0.634 0.000 1.252 440 P CA -0.246 62.754 63.100 -0.167 0.000 0.802 440 P CB 0.939 32.575 31.700 -0.107 0.000 1.035 441 D N -0.470 119.421 120.400 -0.850 0.000 2.084 441 D HA -0.069 4.566 4.640 -0.008 0.000 0.196 441 D C 0.962 176.793 176.300 -0.781 0.000 0.985 441 D CA 1.589 54.697 54.000 -1.487 0.000 0.826 441 D CB -0.417 39.831 40.800 -0.920 0.000 0.978 441 D HN 0.486 nan 8.370 nan 0.000 0.456 442 S N -1.090 114.381 115.700 -0.381 0.000 2.689 442 S HA 0.489 4.954 4.470 -0.008 0.000 0.306 442 S C 0.812 175.373 174.600 -0.064 0.000 1.104 442 S CA -0.893 57.207 58.200 -0.166 0.000 0.973 442 S CB 2.135 65.271 63.200 -0.106 0.000 1.121 442 S HN -0.106 nan 8.310 nan 0.000 0.523 443 V N 1.108 121.032 119.914 0.017 0.000 2.500 443 V HA 0.063 4.178 4.120 -0.008 0.000 0.243 443 V C 2.920 179.097 176.094 0.138 0.000 1.039 443 V CA 1.696 64.050 62.300 0.091 0.000 1.053 443 V CB -1.487 30.419 31.823 0.138 0.000 0.695 443 V HN 1.021 nan 8.190 nan 0.000 0.463 444 A N 1.222 124.103 122.820 0.102 0.000 1.903 444 A HA -0.190 4.125 4.320 -0.008 0.000 0.219 444 A C 0.505 178.165 177.584 0.127 0.000 1.191 444 A CA 2.534 54.632 52.037 0.102 0.000 0.638 444 A CB -2.013 16.995 19.000 0.014 0.000 0.823 444 A HN 0.572 nan 8.150 nan 0.000 0.451 445 P HA -0.028 nan 4.420 nan 0.000 0.225 445 P C 1.108 178.462 177.300 0.089 0.000 1.156 445 P CA 0.929 64.067 63.100 0.065 0.000 0.787 445 P CB -0.205 31.505 31.700 0.017 0.000 0.802 446 I N -6.782 113.846 120.570 0.097 0.000 3.875 446 I HA 0.298 4.463 4.170 -0.008 0.000 0.329 446 I C 0.446 176.632 176.117 0.115 0.000 1.295 446 I CA -0.810 60.540 61.300 0.083 0.000 1.129 446 I CB -0.593 37.435 38.000 0.047 0.000 1.008 446 I HN -0.216 nan 8.210 nan 0.000 0.413 447 W N 4.531 125.841 121.300 0.017 0.000 2.193 447 W HA 0.243 4.897 4.660 -0.009 0.000 0.338 447 W C 0.011 176.546 176.519 0.027 0.000 1.310 447 W CA 0.456 57.818 57.345 0.028 0.000 1.243 447 W CB 0.449 29.922 29.460 0.022 0.000 1.165 447 W HN 0.469 nan 8.180 nan 0.000 0.566 448 N N 3.843 122.005 118.700 -0.896 0.000 2.484 448 N HA 0.204 4.939 4.740 -0.008 0.000 0.269 448 N C 0.286 174.894 175.510 -1.503 0.000 1.237 448 N CA -0.706 51.841 53.050 -0.838 0.000 0.838 448 N CB 1.033 39.336 38.487 -0.306 0.000 1.593 448 N HN 0.540 nan 8.380 nan 0.000 0.485 449 L N -2.415 118.174 121.223 -1.057 0.000 2.447 449 L HA 0.148 4.483 4.340 -0.008 0.000 0.225 449 L C 0.868 177.531 176.870 -0.344 0.000 1.148 449 L CA 1.003 55.383 54.840 -0.766 0.000 0.808 449 L CB -0.171 41.388 42.059 -0.833 0.000 0.928 449 L HN 0.505 nan 8.230 nan 0.000 0.448 450 R N 0.894 121.234 120.500 -0.267 0.000 2.397 450 R HA 0.210 4.545 4.340 -0.008 0.000 0.241 450 R C 1.185 177.484 176.300 -0.002 0.000 0.914 450 R CA 0.595 56.703 56.100 0.013 0.000 1.071 450 R CB 0.274 30.641 30.300 0.111 0.000 1.116 450 R HN 0.580 nan 8.270 nan 0.000 0.524 451 G N 1.889 110.578 108.800 -0.184 0.000 2.283 451 G HA2 -0.285 3.670 3.960 -0.008 0.000 0.280 451 G HA3 -0.285 3.670 3.960 -0.008 0.000 0.280 451 G C 0.420 175.329 174.900 0.015 0.000 1.029 451 G CA 0.793 45.830 45.100 -0.105 0.000 0.840 451 G HN 0.267 nan 8.290 nan 0.000 0.505 452 V N -3.208 116.714 119.914 0.014 0.000 3.109 452 V HA 0.796 4.911 4.120 -0.008 0.000 0.317 452 V C 1.589 177.704 176.094 0.036 0.000 1.074 452 V CA -0.518 61.833 62.300 0.084 0.000 1.033 452 V CB 1.480 33.397 31.823 0.156 0.000 1.111 452 V HN 1.053 nan 8.190 nan 0.000 0.458 453 L N -0.036 121.222 121.223 0.059 0.000 3.597 453 L HA -0.144 4.191 4.340 -0.008 0.000 0.440 453 L C 0.613 177.512 176.870 0.048 0.000 1.277 453 L CA 0.935 55.805 54.840 0.049 0.000 0.852 453 L CB -1.490 40.583 42.059 0.023 0.000 1.708 453 L HN 0.958 nan 8.230 nan 0.000 0.885 454 S N 0.052 115.789 115.700 0.062 0.000 2.642 454 S HA 0.438 4.903 4.470 -0.008 0.000 0.309 454 S C 1.080 175.737 174.600 0.094 0.000 1.125 454 S CA 0.178 58.422 58.200 0.074 0.000 1.055 454 S CB 0.267 63.515 63.200 0.080 0.000 1.157 454 S HN 0.454 nan 8.310 nan 0.000 0.513 455 T N 1.181 115.794 114.554 0.098 0.000 3.145 455 T HA 0.524 4.869 4.350 -0.008 0.000 0.281 455 T C 0.610 175.395 174.700 0.142 0.000 1.003 455 T CA -0.003 62.172 62.100 0.126 0.000 0.901 455 T CB 0.231 69.173 68.868 0.123 0.000 1.112 455 T HN 0.560 nan 8.240 nan 0.000 0.535 456 A N 1.309 124.196 122.820 0.112 0.000 2.429 456 A HA 0.446 4.761 4.320 -0.008 0.000 0.242 456 A C 0.266 178.001 177.584 0.251 0.000 1.088 456 A CA -0.581 51.506 52.037 0.082 0.000 0.784 456 A CB -0.177 18.837 19.000 0.022 0.000 1.038 456 A HN 0.520 nan 8.150 nan 0.000 0.501 457 W N 0.827 122.206 121.300 0.131 0.000 2.314 457 W HA 0.069 4.724 4.660 -0.009 0.000 0.339 457 W C 0.933 177.573 176.519 0.203 0.000 1.293 457 W CA 0.278 57.722 57.345 0.164 0.000 1.288 457 W CB -0.667 28.904 29.460 0.186 0.000 1.186 457 W HN 0.682 nan 8.180 nan 0.000 0.566 458 H N 3.860 123.116 119.070 0.310 0.000 2.646 458 H HA 0.370 4.921 4.556 -0.009 0.000 0.325 458 H C -0.310 175.127 175.328 0.181 0.000 1.075 458 H CA -0.319 55.848 56.048 0.197 0.000 1.421 458 H CB 0.616 30.456 29.762 0.129 0.000 1.461 458 H HN 0.309 nan 8.280 nan 0.000 0.525 459 R N 3.833 124.297 120.500 -0.060 0.000 2.561 459 R HA 0.421 4.756 4.340 -0.008 0.000 0.297 459 R C -1.460 174.678 176.300 -0.270 0.000 0.969 459 R CA -0.915 55.115 56.100 -0.117 0.000 0.879 459 R CB 2.500 32.826 30.300 0.045 0.000 1.178 459 R HN 0.265 nan 8.270 nan 0.000 0.445 460 V N 3.648 123.429 119.914 -0.223 0.000 2.525 460 V HA 0.427 4.542 4.120 -0.008 0.000 0.299 460 V C -0.267 175.780 176.094 -0.078 0.000 1.034 460 V CA -0.890 61.312 62.300 -0.162 0.000 0.863 460 V CB 1.851 33.568 31.823 -0.177 0.000 0.999 460 V HN 0.660 nan 8.190 nan 0.000 0.423 461 R N 3.141 123.614 120.500 -0.044 0.000 2.368 461 R HA 0.828 5.163 4.340 -0.008 0.000 0.302 461 R C -0.636 175.651 176.300 -0.020 0.000 1.002 461 R CA -0.482 55.601 56.100 -0.028 0.000 0.929 461 R CB 1.959 32.251 30.300 -0.013 0.000 1.073 461 R HN 0.663 nan 8.270 nan 0.000 0.464 462 V N -1.430 118.472 119.914 -0.021 0.000 3.188 462 V HA 0.707 4.822 4.120 -0.008 0.000 0.305 462 V C -0.477 175.609 176.094 -0.014 0.000 1.232 462 V CA -0.978 61.313 62.300 -0.014 0.000 1.043 462 V CB 2.082 33.897 31.823 -0.015 0.000 1.068 462 V HN 0.869 nan 8.190 nan 0.000 0.439 463 S N 0.672 116.366 115.700 -0.010 0.000 2.664 463 S HA 0.913 5.378 4.470 -0.008 0.000 0.304 463 S C -0.696 173.898 174.600 -0.010 0.000 1.099 463 S CA -0.745 57.449 58.200 -0.010 0.000 1.003 463 S CB 1.783 64.979 63.200 -0.006 0.000 1.092 463 S HN 1.414 nan 8.310 nan 0.000 0.525 464 V N 2.158 122.066 119.914 -0.010 0.000 2.448 464 V HA 0.390 4.505 4.120 -0.008 0.000 0.295 464 V C 0.126 176.216 176.094 -0.007 0.000 1.025 464 V CA -0.759 61.536 62.300 -0.009 0.000 0.859 464 V CB 1.286 33.102 31.823 -0.012 0.000 0.988 464 V HN 0.960 nan 8.190 nan 0.000 0.431 465 Q N 1.949 121.746 119.800 -0.006 0.000 2.524 465 Q HA 0.148 4.483 4.340 -0.008 0.000 0.246 465 Q C -0.428 175.569 176.000 -0.005 0.000 1.063 465 Q CA -0.206 55.595 55.803 -0.004 0.000 0.945 465 Q CB 0.602 29.338 28.738 -0.003 0.000 1.292 465 Q HN 0.636 nan 8.270 nan 0.000 0.518 466 D N 0.000 120.398 120.400 -0.004 0.000 6.856 466 D HA 0.000 4.635 4.640 -0.008 0.000 0.175 466 D CA 0.000 53.998 54.000 -0.004 0.000 0.868 466 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 466 D HN 0.000 nan 8.370 nan 0.000 0.683