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 1p8j_1_B DATA FIRST_RESID 109 DATA SEQUENCE VYQEPTDPKF PQQWYLSGVT QRDLNVKEAW AQGFTGHGIV VSILDDGIEK DATA SEQUENCE NHPDLAGNYD PGASFDVNDQ DPDPQPRYTQ MNDNRHGTRC AGEVAAVANN DATA SEQUENCE GVcGVGVAYN ARIGGVRMLD GEVTDAVEAR SLGLNPNHIH IYSASWGPED DATA SEQUENCE DGKTVDGPAR LAEEAFFRGV SQGRGGLGSI FVWASGNGGR EHDScNCDGY DATA SEQUENCE TNSIYTLSIS SATQFGNVPW YSEAcSSTLA TTYSSGNQNE KQIVTTDLRQ DATA SEQUENCE KcTESHTGTS ASAPLAAGII ALTLEANKNL TWRDMQHLVV QTSKPAHLNA DATA SEQUENCE DDWATNGVGR KVSHSYGYGL LDAGAMVALA QNWTTVAPQR KcIVEILVEP DATA SEQUENCE KDIGKRLEVR KAVTAcLGEP NHITRLEHVQ ARLTLSYNRR GDLAIHLISP DATA SEQUENCE MGTRSTLLAA RPHDYSADGF NDWAFMTTHS WDEDPAGEWV LEIENTSEAN DATA SEQUENCE NYGTLTKFTL VLYGTAPE 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 109 V HA 0.000 nan 4.120 nan 0.000 0.244 109 V C 0.000 176.138 176.094 0.073 0.000 1.182 109 V CA 0.000 62.339 62.300 0.064 0.000 1.235 109 V CB 0.000 31.849 31.823 0.043 0.000 1.184 110 Y N 4.998 125.313 120.300 0.025 0.000 3.083 110 Y HA -0.017 4.533 4.550 -0.000 0.000 0.350 110 Y C 0.446 176.364 175.900 0.032 0.000 1.266 110 Y CA 1.109 59.230 58.100 0.034 0.000 1.594 110 Y CB 0.527 39.027 38.460 0.066 0.000 1.179 110 Y HN 0.658 nan 8.280 nan 0.000 0.602 111 Q N 6.514 125.814 119.800 -0.832 0.000 2.347 111 Q HA 0.138 4.478 4.340 0.000 0.000 0.262 111 Q C -0.231 175.180 176.000 -0.980 0.000 0.980 111 Q CA -0.580 54.819 55.803 -0.673 0.000 0.867 111 Q CB 1.338 29.861 28.738 -0.358 0.000 1.242 111 Q HN 0.849 nan 8.270 nan 0.000 0.453 112 E N 3.101 122.941 120.200 -0.601 0.000 2.425 112 E HA 0.189 4.539 4.350 0.000 0.000 0.258 112 E C -2.010 174.300 176.600 -0.483 0.000 1.151 112 E CA -1.562 54.627 56.400 -0.353 0.000 0.958 112 E CB -0.067 29.653 29.700 0.034 0.000 0.968 112 E HN 0.133 nan 8.360 nan 0.000 0.451 113 P HA -0.068 nan 4.420 nan 0.000 0.266 113 P C 0.127 177.157 177.300 -0.451 0.000 1.193 113 P CA 0.422 63.065 63.100 -0.762 0.000 0.770 113 P CB 0.559 31.580 31.700 -1.132 0.000 0.836 114 T N -2.569 111.808 114.554 -0.295 0.000 3.054 114 T HA 0.139 4.489 4.350 0.000 0.000 0.255 114 T C 0.060 174.717 174.700 -0.071 0.000 1.035 114 T CA -0.371 61.646 62.100 -0.137 0.000 0.941 114 T CB -0.691 68.100 68.868 -0.127 0.000 1.026 114 T HN 0.196 nan 8.240 nan 0.000 0.533 115 D N 4.408 124.753 120.400 -0.091 0.000 2.506 115 D HA 0.095 4.735 4.640 0.000 0.000 0.234 115 D C -1.006 175.333 176.300 0.064 0.000 1.143 115 D CA -1.127 52.863 54.000 -0.017 0.000 0.871 115 D CB 0.816 41.605 40.800 -0.018 0.000 1.190 115 D HN 0.122 nan 8.370 nan 0.000 0.459 116 P HA -0.232 nan 4.420 nan 0.000 0.217 116 P C 0.639 177.987 177.300 0.080 0.000 1.151 116 P CA 1.389 64.523 63.100 0.058 0.000 0.849 116 P CB 0.300 32.025 31.700 0.041 0.000 0.787 117 K N -1.891 118.568 120.400 0.097 0.000 2.374 117 K HA 0.105 4.425 4.320 0.000 0.000 0.196 117 K C 1.640 178.303 176.600 0.105 0.000 1.023 117 K CA -0.328 56.015 56.287 0.094 0.000 1.103 117 K CB -0.796 31.760 32.500 0.095 0.000 0.848 117 K HN 0.117 nan 8.250 nan 0.000 0.528 118 F N 3.310 123.261 119.950 0.003 0.000 2.161 118 F HA -0.102 4.425 4.527 0.000 0.000 0.300 118 F C -1.102 174.692 175.800 -0.011 0.000 1.089 118 F CA 0.775 58.772 58.000 -0.004 0.000 1.282 118 F CB -0.880 38.120 39.000 0.001 0.000 1.010 118 F HN 0.020 nan 8.300 nan 0.000 0.485 119 P HA -0.158 nan 4.420 nan 0.000 0.220 119 P C 1.154 178.339 177.300 -0.192 0.000 1.148 119 P CA 1.438 64.416 63.100 -0.202 0.000 0.803 119 P CB -0.038 31.644 31.700 -0.031 0.000 0.782 120 Q N -0.858 118.881 119.800 -0.101 0.000 2.435 120 Q HA -0.021 4.319 4.340 0.000 0.000 0.207 120 Q C 0.873 176.845 176.000 -0.048 0.000 0.956 120 Q CA 0.783 56.584 55.803 -0.004 0.000 0.917 120 Q CB -0.672 28.104 28.738 0.064 0.000 0.997 120 Q HN 0.441 nan 8.270 nan 0.000 0.497 121 Q N 0.683 120.277 119.800 -0.344 0.000 3.254 121 Q HA -0.014 4.326 4.340 0.000 0.000 0.315 121 Q C 0.278 175.648 176.000 -1.049 0.000 1.405 121 Q CA -0.345 54.962 55.803 -0.827 0.000 0.966 121 Q CB -0.336 27.973 28.738 -0.715 0.000 1.706 121 Q HN 0.549 nan 8.270 nan 0.000 0.525 122 W N 0.527 121.486 121.300 -0.569 0.000 2.341 122 W HA -0.305 4.355 4.660 -0.000 0.000 0.283 122 W C 0.694 176.966 176.519 -0.412 0.000 1.215 122 W CA 0.967 58.064 57.345 -0.412 0.000 1.211 122 W CB -1.071 28.234 29.460 -0.259 0.000 1.131 122 W HN 0.531 nan 8.180 nan 0.000 0.552 123 Y N -0.592 119.071 120.300 -1.063 0.000 2.457 123 Y HA 0.183 4.733 4.550 0.000 0.000 0.292 123 Y C 2.442 178.126 175.900 -0.361 0.000 1.125 123 Y CA 0.589 58.169 58.100 -0.867 0.000 1.254 123 Y CB -1.392 36.360 38.460 -1.181 0.000 1.012 123 Y HN -0.135 nan 8.280 nan 0.000 0.555 124 L N -0.530 120.321 121.223 -0.620 0.000 2.095 124 L HA 0.077 4.417 4.340 0.000 0.000 0.204 124 L C 0.688 177.421 176.870 -0.228 0.000 1.080 124 L CA 1.063 55.733 54.840 -0.284 0.000 0.759 124 L CB -0.097 41.872 42.059 -0.150 0.000 0.914 124 L HN 0.236 nan 8.230 nan 0.000 0.439 125 S N -1.348 114.193 115.700 -0.266 0.000 2.583 125 S HA 0.556 5.026 4.470 0.000 0.000 0.294 125 S C -0.451 174.037 174.600 -0.188 0.000 1.121 125 S CA -0.107 58.007 58.200 -0.144 0.000 0.910 125 S CB 1.540 64.747 63.200 0.011 0.000 1.102 125 S HN 0.230 nan 8.310 nan 0.000 0.451 126 G N 2.529 111.267 108.800 -0.104 0.000 5.482 126 G HA2 0.478 4.438 3.960 0.000 0.000 0.208 126 G HA3 0.478 4.438 3.960 0.000 0.000 0.208 126 G C 0.040 174.913 174.900 -0.045 0.000 0.756 126 G CA 0.364 45.414 45.100 -0.085 0.000 0.682 126 G HN 1.520 nan 8.290 nan 0.000 0.405 127 V N -0.377 119.521 119.914 -0.027 0.000 3.776 127 V HA -0.326 3.794 4.120 0.000 0.000 0.536 127 V C 2.073 178.148 176.094 -0.032 0.000 0.710 127 V CA 2.048 64.338 62.300 -0.017 0.000 2.197 127 V CB -1.582 30.234 31.823 -0.012 0.000 2.422 127 V HN 1.445 nan 8.190 nan 0.000 0.508 128 T N -1.629 112.904 114.554 -0.034 0.000 10.235 128 T HA -0.363 3.987 4.350 0.000 0.000 0.395 128 T C 0.578 175.233 174.700 -0.074 0.000 1.613 128 T CA 2.102 64.169 62.100 -0.054 0.000 2.565 128 T CB -0.836 67.993 68.868 -0.064 0.000 2.818 128 T HN 1.751 nan 8.240 nan 0.000 1.101 129 Q N -0.956 118.813 119.800 -0.051 0.000 2.453 129 Q HA -0.203 4.137 4.340 0.000 0.000 0.294 129 Q C 0.347 176.310 176.000 -0.063 0.000 1.295 129 Q CA 1.433 57.208 55.803 -0.045 0.000 0.853 129 Q CB -1.246 27.467 28.738 -0.042 0.000 1.193 129 Q HN 0.784 nan 8.270 nan 0.000 0.461 130 R N 1.466 121.939 120.500 -0.045 0.000 2.868 130 R HA 0.242 4.582 4.340 0.000 0.000 0.289 130 R C -0.676 175.671 176.300 0.078 0.000 1.443 130 R CA 0.141 56.241 56.100 -0.001 0.000 1.651 130 R CB 0.314 30.571 30.300 -0.073 0.000 1.242 130 R HN 0.373 nan 8.270 nan 0.000 0.621 131 D N -1.505 119.005 120.400 0.183 0.000 3.057 131 D HA 0.067 4.707 4.640 0.000 0.000 0.328 131 D C 0.284 176.728 176.300 0.240 0.000 1.317 131 D CA -0.791 53.349 54.000 0.233 0.000 0.973 131 D CB 0.370 41.170 40.800 0.001 0.000 1.424 131 D HN 0.035 nan 8.370 nan 0.000 0.569 132 L N -0.772 120.528 121.223 0.129 0.000 2.591 132 L HA 0.220 4.560 4.340 0.000 0.000 0.228 132 L C 0.354 177.188 176.870 -0.061 0.000 1.133 132 L CA 0.080 54.937 54.840 0.029 0.000 0.880 132 L CB -1.158 40.911 42.059 0.018 0.000 1.033 132 L HN 0.524 nan 8.230 nan 0.000 0.450 133 N N -0.377 118.280 118.700 -0.072 0.000 2.705 133 N HA -0.183 4.557 4.740 0.000 0.000 0.255 133 N C 0.551 175.935 175.510 -0.209 0.000 1.008 133 N CA 0.569 53.551 53.050 -0.112 0.000 0.742 133 N CB -0.952 37.494 38.487 -0.070 0.000 0.906 133 N HN 0.074 nan 8.380 nan 0.000 0.541 134 V N 0.124 119.832 119.914 -0.344 0.000 2.446 134 V HA -0.087 4.033 4.120 0.000 0.000 0.244 134 V C 2.274 177.827 176.094 -0.901 0.000 1.039 134 V CA 1.599 63.509 62.300 -0.650 0.000 1.045 134 V CB -0.287 31.043 31.823 -0.821 0.000 0.681 134 V HN 0.447 nan 8.190 nan 0.000 0.459 135 K N 0.016 120.022 120.400 -0.656 0.000 2.113 135 K HA -0.287 4.033 4.320 0.000 0.000 0.208 135 K C 2.212 178.712 176.600 -0.167 0.000 1.047 135 K CA 2.012 58.137 56.287 -0.269 0.000 0.928 135 K CB -0.139 32.393 32.500 0.054 0.000 0.716 135 K HN 0.513 nan 8.250 nan 0.000 0.446 136 E N -0.244 119.861 120.200 -0.159 0.000 2.153 136 E HA -0.185 4.165 4.350 0.000 0.000 0.194 136 E C 1.742 178.290 176.600 -0.086 0.000 0.988 136 E CA 0.938 57.284 56.400 -0.090 0.000 0.811 136 E CB 0.032 29.693 29.700 -0.065 0.000 0.746 136 E HN 0.359 nan 8.360 nan 0.000 0.466 137 A N 0.591 123.329 122.820 -0.137 0.000 1.897 137 A HA -0.137 4.183 4.320 0.000 0.000 0.215 137 A C 1.729 179.352 177.584 0.066 0.000 1.181 137 A CA 0.855 52.886 52.037 -0.009 0.000 0.620 137 A CB -0.791 18.163 19.000 -0.076 0.000 0.821 137 A HN 0.387 nan 8.150 nan 0.000 0.443 138 W N -0.073 121.101 121.300 -0.209 0.000 2.335 138 W HA -0.096 4.564 4.660 -0.000 0.000 0.311 138 W C 2.798 178.877 176.519 -0.733 0.000 1.213 138 W CA 0.831 57.919 57.345 -0.427 0.000 1.274 138 W CB -1.358 27.836 29.460 -0.442 0.000 1.148 138 W HN 0.437 nan 8.180 nan 0.000 0.498 139 A N 0.257 122.742 122.820 -0.559 0.000 1.940 139 A HA -0.239 4.081 4.320 0.000 0.000 0.219 139 A C 1.899 179.361 177.584 -0.202 0.000 1.176 139 A CA 1.671 53.423 52.037 -0.476 0.000 0.631 139 A CB -0.922 17.973 19.000 -0.175 0.000 0.814 139 A HN 0.443 nan 8.150 nan 0.000 0.446 140 Q N -1.648 118.068 119.800 -0.140 0.000 2.515 140 Q HA 0.190 4.530 4.340 0.000 0.000 0.212 140 Q C 1.067 176.790 176.000 -0.460 0.000 0.970 140 Q CA 0.413 56.125 55.803 -0.151 0.000 0.941 140 Q CB -0.082 28.697 28.738 0.068 0.000 0.998 140 Q HN 0.934 nan 8.270 nan 0.000 0.518 141 G N 0.428 108.995 108.800 -0.389 0.000 2.141 141 G HA2 -0.231 3.729 3.960 0.000 0.000 0.231 141 G HA3 -0.231 3.729 3.960 0.000 0.000 0.231 141 G C -0.389 174.194 174.900 -0.529 0.000 0.984 141 G CA -0.460 44.376 45.100 -0.441 0.000 0.660 141 G HN 0.232 nan 8.290 nan 0.000 0.525 142 F N 1.672 121.628 119.950 0.010 0.000 2.361 142 F HA 0.598 5.125 4.527 0.000 0.000 0.364 142 F C 1.183 176.983 175.800 0.000 0.000 1.117 142 F CA -0.159 57.844 58.000 0.005 0.000 1.071 142 F CB 1.927 40.921 39.000 -0.010 0.000 1.188 142 F HN 0.128 nan 8.300 nan 0.000 0.464 143 T N -2.032 112.525 114.554 0.005 0.000 3.144 143 T HA 0.445 4.795 4.350 0.000 0.000 0.290 143 T C 1.122 175.629 174.700 -0.322 0.000 0.966 143 T CA 0.202 62.103 62.100 -0.333 0.000 0.907 143 T CB 0.355 68.744 68.868 -0.798 0.000 1.152 143 T HN 0.950 nan 8.240 nan 0.000 0.532 144 G N 1.422 110.145 108.800 -0.128 0.000 2.184 144 G HA2 -0.188 3.772 3.960 0.000 0.000 0.206 144 G HA3 -0.188 3.772 3.960 0.000 0.000 0.206 144 G C -0.073 174.786 174.900 -0.069 0.000 0.995 144 G CA -0.411 44.628 45.100 -0.102 0.000 0.651 144 G HN 0.676 nan 8.290 nan 0.000 0.511 145 H N 0.473 119.533 119.070 -0.017 0.000 3.167 145 H HA 0.282 4.838 4.556 0.000 0.000 0.306 145 H C 1.721 177.044 175.328 -0.008 0.000 0.965 145 H CA 2.169 58.214 56.048 -0.005 0.000 1.408 145 H CB 0.475 30.239 29.762 0.002 0.000 1.406 145 H HN 1.401 nan 8.280 nan 0.000 0.576 146 G N 3.333 112.213 108.800 0.134 0.000 2.184 146 G HA2 -0.249 3.711 3.960 0.000 0.000 0.264 146 G HA3 -0.249 3.711 3.960 0.000 0.000 0.264 146 G C 0.243 175.159 174.900 0.025 0.000 0.975 146 G CA 0.188 45.332 45.100 0.074 0.000 0.642 146 G HN 0.489 nan 8.290 nan 0.000 0.536 147 I N 0.874 121.433 120.570 -0.017 0.000 2.437 147 I HA 0.580 4.750 4.170 0.000 0.000 0.298 147 I C 0.455 176.616 176.117 0.073 0.000 0.984 147 I CA -1.279 59.976 61.300 -0.075 0.000 1.214 147 I CB 1.553 39.465 38.000 -0.147 0.000 1.365 147 I HN -0.120 nan 8.210 nan 0.000 0.469 148 V N 6.554 126.636 119.914 0.280 0.000 2.448 148 V HA 0.508 4.628 4.120 0.000 0.000 0.295 148 V C -0.054 176.008 176.094 -0.053 0.000 1.025 148 V CA -0.655 61.638 62.300 -0.011 0.000 0.859 148 V CB 2.288 33.900 31.823 -0.353 0.000 0.988 148 V HN 0.459 nan 8.190 nan 0.000 0.431 149 V N 3.431 123.297 119.914 -0.080 0.000 2.604 149 V HA 0.619 4.739 4.120 0.000 0.000 0.305 149 V C -0.112 175.920 176.094 -0.104 0.000 1.043 149 V CA -0.370 61.871 62.300 -0.097 0.000 0.888 149 V CB 2.155 33.955 31.823 -0.037 0.000 0.995 149 V HN 0.831 nan 8.190 nan 0.000 0.429 150 S N 4.516 120.125 115.700 -0.152 0.000 2.500 150 S HA 0.692 5.162 4.470 0.000 0.000 0.301 150 S C -0.826 173.794 174.600 0.034 0.000 1.092 150 S CA -0.622 57.538 58.200 -0.068 0.000 1.030 150 S CB 0.867 63.987 63.200 -0.133 0.000 1.031 150 S HN 0.489 nan 8.310 nan 0.000 0.483 151 I N 5.557 126.175 120.570 0.080 0.000 2.297 151 I HA 0.290 4.460 4.170 0.000 0.000 0.291 151 I C -0.355 175.857 176.117 0.159 0.000 1.033 151 I CA -0.412 60.951 61.300 0.105 0.000 1.253 151 I CB 0.917 38.968 38.000 0.085 0.000 1.396 151 I HN 0.589 nan 8.210 nan 0.000 0.476 152 L N 6.386 127.737 121.223 0.213 0.000 2.282 152 L HA 0.368 4.708 4.340 0.000 0.000 0.287 152 L C 0.305 177.365 176.870 0.316 0.000 1.075 152 L CA 0.247 55.261 54.840 0.290 0.000 0.839 152 L CB 0.473 42.784 42.059 0.420 0.000 1.219 152 L HN 0.636 nan 8.230 nan 0.000 0.434 153 D N 0.896 121.386 120.400 0.151 0.000 4.378 153 D HA 0.009 4.649 4.640 0.000 0.000 0.318 153 D C -0.542 175.745 176.300 -0.022 0.000 1.651 153 D CA -0.149 53.905 54.000 0.090 0.000 0.976 153 D CB 0.983 41.901 40.800 0.198 0.000 1.451 153 D HN 0.532 nan 8.370 nan 0.000 0.665 154 D N 0.150 120.550 120.400 0.000 0.000 2.358 154 D HA 0.423 5.063 4.640 0.000 0.000 0.224 154 D C 0.835 177.112 176.300 -0.038 0.000 1.123 154 D CA 0.282 54.256 54.000 -0.044 0.000 0.833 154 D CB 0.441 41.212 40.800 -0.049 0.000 0.946 154 D HN 0.697 nan 8.370 nan 0.000 0.505 155 G N -0.284 108.512 108.800 -0.005 0.000 2.423 155 G HA2 0.058 4.018 3.960 0.000 0.000 0.684 155 G HA3 0.058 4.018 3.960 0.000 0.000 0.684 155 G C -1.588 173.310 174.900 -0.003 0.000 1.309 155 G CA -0.589 44.505 45.100 -0.011 0.000 0.950 155 G HN 0.449 nan 8.290 nan 0.000 0.587 156 I N -0.353 120.217 120.570 -0.000 0.000 2.569 156 I HA 0.569 4.739 4.170 0.000 0.000 0.290 156 I C 0.085 176.180 176.117 -0.036 0.000 1.088 156 I CA -0.795 60.506 61.300 0.003 0.000 1.047 156 I CB 1.817 39.861 38.000 0.073 0.000 1.237 156 I HN 0.712 nan 8.210 nan 0.000 0.421 157 E N 7.353 127.541 120.200 -0.020 0.000 1.775 157 E HA 0.020 4.370 4.350 0.000 0.000 0.266 157 E C 1.004 177.580 176.600 -0.040 0.000 1.191 157 E CA -0.145 56.267 56.400 0.020 0.000 1.048 157 E CB 0.449 30.228 29.700 0.132 0.000 1.081 157 E HN 0.613 nan 8.360 nan 0.000 0.434 158 K N 2.684 122.947 120.400 -0.229 0.000 2.360 158 K HA -0.174 4.146 4.320 0.000 0.000 0.201 158 K C 0.735 177.152 176.600 -0.305 0.000 1.046 158 K CA 1.339 57.291 56.287 -0.559 0.000 0.940 158 K CB -0.044 31.646 32.500 -1.349 0.000 0.748 158 K HN 0.267 nan 8.250 nan 0.000 0.465 159 N N 0.545 119.166 118.700 -0.132 0.000 2.251 159 N HA -0.081 4.659 4.740 0.000 0.000 0.217 159 N C -0.395 175.119 175.510 0.005 0.000 1.124 159 N CA -0.284 52.731 53.050 -0.058 0.000 0.843 159 N CB -0.291 38.160 38.487 -0.059 0.000 1.024 159 N HN 0.229 nan 8.380 nan 0.000 0.501 160 H N 3.267 122.314 119.070 -0.037 0.000 2.886 160 H HA 0.084 4.640 4.556 -0.000 0.000 0.329 160 H C -1.286 174.041 175.328 -0.000 0.000 1.044 160 H CA -0.853 55.190 56.048 -0.007 0.000 1.456 160 H CB 1.553 31.316 29.762 0.002 0.000 1.464 160 H HN 0.009 nan 8.280 nan 0.000 0.573 161 P HA -0.158 nan 4.420 nan 0.000 0.220 161 P C 0.568 177.965 177.300 0.160 0.000 1.144 161 P CA 1.239 64.351 63.100 0.021 0.000 0.800 161 P CB 0.471 32.123 31.700 -0.080 0.000 0.772 162 D N -1.889 118.754 120.400 0.406 0.000 2.395 162 D HA 0.174 4.814 4.640 0.000 0.000 0.213 162 D C 1.554 177.931 176.300 0.128 0.000 1.110 162 D CA 0.126 54.254 54.000 0.214 0.000 0.835 162 D CB 0.024 40.932 40.800 0.179 0.000 0.965 162 D HN 0.117 nan 8.370 nan 0.000 0.505 163 L N -1.010 120.308 121.223 0.159 0.000 2.694 163 L HA 0.351 4.691 4.340 0.000 0.000 0.228 163 L C 2.294 179.251 176.870 0.144 0.000 1.048 163 L CA 0.420 55.327 54.840 0.112 0.000 0.887 163 L CB -0.212 41.893 42.059 0.077 0.000 1.265 163 L HN -0.092 nan 8.230 nan 0.000 0.492 164 A N 1.179 124.077 122.820 0.130 0.000 1.915 164 A HA -0.259 4.061 4.320 0.000 0.000 0.220 164 A C 2.261 179.932 177.584 0.145 0.000 1.198 164 A CA 2.378 54.490 52.037 0.124 0.000 0.647 164 A CB -1.444 17.599 19.000 0.072 0.000 0.825 164 A HN 0.450 nan 8.150 nan 0.000 0.456 165 G N -0.901 107.962 108.800 0.105 0.000 2.475 165 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 165 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 165 G C 1.157 176.115 174.900 0.096 0.000 1.125 165 G CA 1.225 46.377 45.100 0.086 0.000 0.755 165 G HN 0.577 nan 8.290 nan 0.000 0.565 166 N N -1.292 117.476 118.700 0.113 0.000 2.184 166 N HA 0.102 4.842 4.740 0.000 0.000 0.206 166 N C -0.213 175.367 175.510 0.117 0.000 1.151 166 N CA -0.607 52.501 53.050 0.096 0.000 0.878 166 N CB 0.245 38.778 38.487 0.077 0.000 1.014 166 N HN 0.358 nan 8.380 nan 0.000 0.512 167 Y N 2.323 122.651 120.300 0.047 0.000 2.712 167 Y HA 0.069 4.619 4.550 0.000 0.000 0.333 167 Y C -0.082 175.852 175.900 0.057 0.000 1.225 167 Y CA -0.001 58.128 58.100 0.049 0.000 1.499 167 Y CB 0.400 38.889 38.460 0.048 0.000 1.288 167 Y HN -0.086 nan 8.280 nan 0.000 0.575 168 D N 7.869 127.766 120.400 -0.839 0.000 2.469 168 D HA 0.313 4.953 4.640 0.000 0.000 0.251 168 D C -2.339 173.478 176.300 -0.805 0.000 1.173 168 D CA -2.437 51.214 54.000 -0.582 0.000 0.882 168 D CB 2.029 42.723 40.800 -0.178 0.000 1.129 168 D HN 0.270 nan 8.370 nan 0.000 0.549 169 P HA 0.014 nan 4.420 nan 0.000 0.219 169 P C 1.298 178.528 177.300 -0.117 0.000 1.146 169 P CA 0.811 63.751 63.100 -0.267 0.000 0.808 169 P CB 0.363 32.035 31.700 -0.045 0.000 0.779 170 G N -0.248 108.464 108.800 -0.147 0.000 2.534 170 G HA2 -0.067 3.893 3.960 0.000 0.000 0.217 170 G HA3 -0.067 3.893 3.960 0.000 0.000 0.217 170 G C 1.223 176.135 174.900 0.020 0.000 1.128 170 G CA 0.636 45.634 45.100 -0.170 0.000 0.784 170 G HN 0.366 nan 8.290 nan 0.000 0.542 171 A N -0.213 122.640 122.820 0.054 0.000 2.500 171 A HA 0.677 4.997 4.320 0.000 0.000 0.267 171 A C 0.644 178.269 177.584 0.068 0.000 1.290 171 A CA -0.050 52.030 52.037 0.071 0.000 0.928 171 A CB 0.347 19.346 19.000 -0.003 0.000 1.066 171 A HN 0.151 nan 8.150 nan 0.000 0.516 172 S N -1.155 114.604 115.700 0.099 0.000 2.599 172 S HA 0.885 5.355 4.470 0.000 0.000 0.294 172 S C -1.158 173.621 174.600 0.299 0.000 1.094 172 S CA -0.419 57.892 58.200 0.186 0.000 0.931 172 S CB 1.712 65.044 63.200 0.219 0.000 1.093 172 S HN 0.464 nan 8.310 nan 0.000 0.488 173 F N 1.032 121.036 119.950 0.090 0.000 2.793 173 F HA 0.280 4.807 4.527 -0.000 0.000 0.316 173 F C -2.147 173.687 175.800 0.058 0.000 1.147 173 F CA -0.580 57.461 58.000 0.068 0.000 0.930 173 F CB 1.300 40.335 39.000 0.058 0.000 1.277 173 F HN 0.542 nan 8.300 nan 0.000 0.443 174 D N 3.199 123.423 120.400 -0.293 0.000 2.472 174 D HA 0.374 5.014 4.640 0.000 0.000 0.234 174 D C 0.418 176.785 176.300 0.111 0.000 1.088 174 D CA -0.032 53.917 54.000 -0.084 0.000 0.882 174 D CB 1.519 42.205 40.800 -0.190 0.000 1.037 174 D HN 0.284 nan 8.370 nan 0.000 0.520 175 V N 3.770 123.856 119.914 0.287 0.000 2.667 175 V HA -0.130 3.990 4.120 0.000 0.000 0.252 175 V C 2.021 178.187 176.094 0.120 0.000 1.065 175 V CA 1.235 63.699 62.300 0.273 0.000 1.083 175 V CB -0.598 31.327 31.823 0.171 0.000 0.692 175 V HN 0.551 nan 8.190 nan 0.000 0.468 176 N N 0.155 118.886 118.700 0.052 0.000 2.188 176 N HA -0.144 4.596 4.740 0.000 0.000 0.184 176 N C 0.957 176.474 175.510 0.011 0.000 1.018 176 N CA 1.283 54.339 53.050 0.009 0.000 0.858 176 N CB 0.013 38.487 38.487 -0.022 0.000 0.989 176 N HN 0.386 nan 8.380 nan 0.000 0.426 177 D N -0.051 120.352 120.400 0.005 0.000 2.395 177 D HA 0.042 4.682 4.640 0.000 0.000 0.213 177 D C -0.194 176.108 176.300 0.003 0.000 1.110 177 D CA 0.139 54.134 54.000 -0.009 0.000 0.835 177 D CB 0.273 41.049 40.800 -0.040 0.000 0.965 177 D HN -0.069 nan 8.370 nan 0.000 0.505 178 Q N 1.390 121.231 119.800 0.068 0.000 2.443 178 Q HA -0.195 4.145 4.340 0.000 0.000 0.337 178 Q C -0.902 175.107 176.000 0.016 0.000 1.401 178 Q CA 0.941 56.837 55.803 0.154 0.000 0.943 178 Q CB -1.130 27.677 28.738 0.116 0.000 1.177 178 Q HN 0.454 nan 8.270 nan 0.000 0.394 179 D N -1.033 119.193 120.400 -0.289 0.000 2.602 179 D HA 0.291 4.931 4.640 0.000 0.000 0.236 179 D C -2.256 173.407 176.300 -1.062 0.000 1.209 179 D CA -1.308 52.425 54.000 -0.444 0.000 0.831 179 D CB 1.898 42.561 40.800 -0.229 0.000 1.478 179 D HN -0.087 nan 8.370 nan 0.000 0.438 180 P HA 0.027 nan 4.420 nan 0.000 0.231 180 P C 0.112 177.217 177.300 -0.324 0.000 1.168 180 P CA 0.350 63.045 63.100 -0.676 0.000 0.779 180 P CB 0.421 32.008 31.700 -0.188 0.000 0.844 181 D N 2.069 122.330 120.400 -0.232 0.000 2.325 181 D HA 0.082 4.723 4.640 0.000 0.000 0.251 181 D C -1.565 174.680 176.300 -0.092 0.000 1.196 181 D CA -2.330 51.611 54.000 -0.098 0.000 0.866 181 D CB 0.873 41.631 40.800 -0.070 0.000 1.101 181 D HN 0.115 nan 8.370 nan 0.000 0.476 182 P HA 0.018 nan 4.420 nan 0.000 0.256 182 P C 0.076 177.365 177.300 -0.018 0.000 1.384 182 P CA -0.198 62.903 63.100 0.002 0.000 0.879 182 P CB 0.248 32.002 31.700 0.089 0.000 1.403 183 Q N 3.057 122.838 119.800 -0.032 0.000 2.286 183 Q HA 0.104 4.444 4.340 0.000 0.000 0.290 183 Q C -1.984 173.982 176.000 -0.056 0.000 1.049 183 Q CA -1.334 54.456 55.803 -0.023 0.000 0.923 183 Q CB -0.006 28.749 28.738 0.028 0.000 1.183 183 Q HN 0.217 nan 8.270 nan 0.000 0.383 184 P HA 0.049 nan 4.420 nan 0.000 0.274 184 P C -1.137 175.967 177.300 -0.327 0.000 1.237 184 P CA -0.199 62.750 63.100 -0.253 0.000 0.793 184 P CB 0.620 32.112 31.700 -0.347 0.000 0.977 185 R N 2.256 122.623 120.500 -0.222 0.000 2.242 185 R HA 0.190 4.530 4.340 0.000 0.000 0.334 185 R C -0.505 175.686 176.300 -0.181 0.000 1.071 185 R CA -0.334 55.696 56.100 -0.116 0.000 0.922 185 R CB -0.386 29.880 30.300 -0.056 0.000 1.023 185 R HN 0.369 nan 8.270 nan 0.000 0.458 186 Y N 2.866 123.160 120.300 -0.010 0.000 2.377 186 Y HA 0.142 4.692 4.550 -0.000 0.000 0.330 186 Y C 0.978 176.876 175.900 -0.004 0.000 1.108 186 Y CA 0.354 58.450 58.100 -0.006 0.000 1.308 186 Y CB 1.388 39.843 38.460 -0.008 0.000 1.216 186 Y HN 0.613 nan 8.280 nan 0.000 0.518 187 T N -1.389 113.234 114.554 0.115 0.000 2.883 187 T HA 0.222 4.572 4.350 0.000 0.000 0.296 187 T C 0.620 175.364 174.700 0.073 0.000 1.117 187 T CA -0.988 61.155 62.100 0.071 0.000 1.006 187 T CB 1.859 70.744 68.868 0.029 0.000 1.191 187 T HN 0.691 nan 8.240 nan 0.000 0.508 188 Q N -0.193 119.638 119.800 0.052 0.000 2.030 188 Q HA -0.123 4.218 4.340 0.000 0.000 0.204 188 Q C 1.517 177.543 176.000 0.044 0.000 0.986 188 Q CA 1.540 57.370 55.803 0.045 0.000 0.843 188 Q CB -0.198 28.559 28.738 0.032 0.000 0.904 188 Q HN 0.661 nan 8.270 nan 0.000 0.420 189 M N 0.601 120.222 119.600 0.036 0.000 2.686 189 M HA -0.012 4.468 4.480 0.000 0.000 0.246 189 M C -0.022 176.299 176.300 0.035 0.000 1.096 189 M CA 0.595 55.916 55.300 0.034 0.000 1.076 189 M CB -0.938 31.678 32.600 0.028 0.000 1.504 189 M HN 0.264 nan 8.290 nan 0.000 0.524 190 N N 1.022 119.744 118.700 0.038 0.000 2.747 190 N HA -0.175 4.565 4.740 0.000 0.000 0.249 190 N C 0.267 175.780 175.510 0.006 0.000 1.107 190 N CA 0.858 53.924 53.050 0.027 0.000 0.707 190 N CB -1.091 37.420 38.487 0.041 0.000 1.054 190 N HN 0.431 nan 8.380 nan 0.000 0.555 191 D N -0.200 120.201 120.400 0.002 0.000 2.203 191 D HA -0.151 4.489 4.640 0.000 0.000 0.199 191 D C 0.382 176.674 176.300 -0.013 0.000 0.997 191 D CA 1.057 55.056 54.000 -0.001 0.000 0.863 191 D CB -0.096 40.699 40.800 -0.008 0.000 0.928 191 D HN 0.493 nan 8.370 nan 0.000 0.458 192 N N 0.896 119.565 118.700 -0.052 0.000 2.714 192 N HA 0.042 4.782 4.740 0.000 0.000 0.298 192 N C 1.095 176.557 175.510 -0.080 0.000 1.298 192 N CA -0.032 52.975 53.050 -0.072 0.000 1.007 192 N CB 0.558 38.970 38.487 -0.126 0.000 1.318 192 N HN 0.432 nan 8.380 nan 0.000 0.516 193 R N -0.933 119.550 120.500 -0.029 0.000 2.312 193 R HA 0.133 4.473 4.340 0.000 0.000 0.205 193 R C 1.367 177.647 176.300 -0.033 0.000 0.904 193 R CA -0.069 56.005 56.100 -0.044 0.000 1.052 193 R CB -0.325 29.956 30.300 -0.032 0.000 1.014 193 R HN 0.219 nan 8.270 nan 0.000 0.503 194 H N 1.438 120.470 119.070 -0.063 0.000 2.290 194 H HA -0.086 4.470 4.556 0.000 0.000 0.298 194 H C 1.899 177.206 175.328 -0.036 0.000 1.087 194 H CA 2.510 58.539 56.048 -0.032 0.000 1.291 194 H CB -0.053 29.717 29.762 0.013 0.000 1.369 194 H HN 0.437 nan 8.280 nan 0.000 0.492 195 G N -0.706 108.148 108.800 0.090 0.000 2.418 195 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 195 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 195 G C 1.821 176.705 174.900 -0.028 0.000 1.158 195 G CA 1.348 46.477 45.100 0.047 0.000 0.771 195 G HN 0.393 nan 8.290 nan 0.000 0.545 196 T N 0.616 115.132 114.554 -0.062 0.000 2.746 196 T HA -0.088 4.262 4.350 0.000 0.000 0.267 196 T C 2.490 177.094 174.700 -0.160 0.000 1.039 196 T CA 1.179 63.223 62.100 -0.094 0.000 1.142 196 T CB -0.149 68.671 68.868 -0.081 0.000 0.866 196 T HN 0.272 nan 8.240 nan 0.000 0.444 197 R N 0.135 120.490 120.500 -0.242 0.000 2.096 197 R HA -0.044 4.296 4.340 0.000 0.000 0.235 197 R C 2.745 178.898 176.300 -0.246 0.000 1.127 197 R CA 1.338 57.207 56.100 -0.385 0.000 0.968 197 R CB -0.756 29.024 30.300 -0.866 0.000 0.861 197 R HN 0.387 nan 8.270 nan 0.000 0.440 198 C N 0.089 119.296 119.300 -0.155 0.000 2.440 198 C HA -0.000 4.460 4.460 0.000 0.000 0.278 198 C C 2.942 177.925 174.990 -0.013 0.000 1.295 198 C CA 0.591 59.592 59.018 -0.027 0.000 1.738 198 C CB -0.900 26.835 27.740 -0.007 0.000 1.987 198 C HN 0.585 nan 8.230 nan 0.000 0.492 199 A N 1.101 123.906 122.820 -0.025 0.000 1.883 199 A HA -0.006 4.314 4.320 0.000 0.000 0.217 199 A C 2.437 180.019 177.584 -0.004 0.000 1.186 199 A CA 2.215 54.252 52.037 -0.000 0.000 0.624 199 A CB -1.392 17.611 19.000 0.005 0.000 0.822 199 A HN 0.540 nan 8.150 nan 0.000 0.444 200 G N -0.581 108.190 108.800 -0.049 0.000 2.442 200 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 200 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 200 G C 1.392 176.314 174.900 0.037 0.000 1.141 200 G CA 1.083 46.162 45.100 -0.036 0.000 0.763 200 G HN 0.688 nan 8.290 nan 0.000 0.554 201 E N -0.293 119.934 120.200 0.044 0.000 2.150 201 E HA -0.043 4.307 4.350 0.000 0.000 0.193 201 E C 2.652 179.311 176.600 0.099 0.000 0.985 201 E CA 0.738 57.190 56.400 0.087 0.000 0.814 201 E CB 0.035 29.771 29.700 0.060 0.000 0.752 201 E HN 0.372 nan 8.360 nan 0.000 0.466 202 V N 0.353 120.308 119.914 0.068 0.000 2.331 202 V HA -0.015 4.105 4.120 0.000 0.000 0.242 202 V C 1.310 177.455 176.094 0.086 0.000 1.034 202 V CA 1.538 63.879 62.300 0.068 0.000 1.027 202 V CB 0.125 31.972 31.823 0.040 0.000 0.667 202 V HN 0.247 nan 8.190 nan 0.000 0.457 203 A N -0.427 122.439 122.820 0.076 0.000 3.045 203 A HA 0.755 5.075 4.320 0.000 0.000 0.244 203 A C 0.302 177.938 177.584 0.087 0.000 0.917 203 A CA 0.213 52.301 52.037 0.085 0.000 1.075 203 A CB -0.167 18.867 19.000 0.057 0.000 1.202 203 A HN 0.429 nan 8.150 nan 0.000 0.486 204 A N 0.212 123.086 122.820 0.091 0.000 2.462 204 A HA 0.516 4.836 4.320 0.000 0.000 0.243 204 A C 0.545 178.170 177.584 0.069 0.000 1.076 204 A CA 0.007 52.081 52.037 0.063 0.000 0.773 204 A CB 0.052 19.086 19.000 0.057 0.000 1.010 204 A HN 0.832 nan 8.150 nan 0.000 0.493 205 V N 1.700 121.640 119.914 0.044 0.000 2.763 205 V HA 0.318 4.438 4.120 0.000 0.000 0.306 205 V C 1.031 177.073 176.094 -0.087 0.000 1.059 205 V CA 0.627 62.930 62.300 0.006 0.000 1.138 205 V CB 0.508 32.339 31.823 0.013 0.000 0.940 205 V HN 1.114 nan 8.190 nan 0.000 0.489 206 A N 4.003 126.690 122.820 -0.223 0.000 2.306 206 A HA 0.595 4.915 4.320 0.000 0.000 0.330 206 A C 0.733 178.102 177.584 -0.358 0.000 1.146 206 A CA -0.604 51.152 52.037 -0.469 0.000 0.827 206 A CB 0.269 18.552 19.000 -1.195 0.000 1.178 206 A HN 0.993 nan 8.150 nan 0.000 0.490 207 N N 0.609 119.098 118.700 -0.353 0.000 2.721 207 N HA -0.175 4.565 4.740 0.000 0.000 0.249 207 N C -0.029 175.390 175.510 -0.152 0.000 1.072 207 N CA 1.266 54.166 53.050 -0.249 0.000 0.710 207 N CB -0.816 37.508 38.487 -0.272 0.000 0.993 207 N HN 0.870 nan 8.380 nan 0.000 0.547 208 N N -1.289 117.343 118.700 -0.115 0.000 2.235 208 N HA 0.208 4.948 4.740 0.000 0.000 0.231 208 N C 1.040 176.524 175.510 -0.043 0.000 1.177 208 N CA 0.526 53.537 53.050 -0.066 0.000 0.874 208 N CB 0.090 38.550 38.487 -0.045 0.000 1.097 208 N HN 0.310 nan 8.380 nan 0.000 0.518 209 G N -0.148 108.623 108.800 -0.049 0.000 2.187 209 G HA2 -0.251 3.709 3.960 0.000 0.000 0.261 209 G HA3 -0.251 3.709 3.960 0.000 0.000 0.261 209 G C -0.514 174.383 174.900 -0.005 0.000 1.000 209 G CA 0.766 45.851 45.100 -0.026 0.000 0.718 209 G HN 0.341 nan 8.290 nan 0.000 0.519 210 V N -0.500 119.416 119.914 0.003 0.000 2.540 210 V HA 0.628 4.748 4.120 0.000 0.000 0.302 210 V C 1.546 177.672 176.094 0.053 0.000 1.035 210 V CA -0.321 61.998 62.300 0.032 0.000 0.873 210 V CB 0.780 32.630 31.823 0.044 0.000 0.992 210 V HN 1.132 nan 8.190 nan 0.000 0.428 211 c N 3.776 122.419 118.600 0.071 0.000 0.169 211 c HA -0.229 4.341 4.570 0.000 0.000 0.017 211 c C 1.696 175.838 174.090 0.087 0.000 0.171 211 c CA 1.713 58.094 56.329 0.087 0.000 0.499 211 c CB -1.179 41.397 42.510 0.110 0.000 3.212 211 c HN 1.364 nan 8.230 nan 0.000 1.118 212 G N -1.045 107.816 108.800 0.101 0.000 3.247 212 G HA2 0.708 4.668 3.960 0.000 0.000 0.163 212 G HA3 0.708 4.668 3.960 0.000 0.000 0.163 212 G C -0.491 174.474 174.900 0.107 0.000 1.206 212 G CA 0.650 45.832 45.100 0.137 0.000 0.918 212 G HN 2.141 nan 8.290 nan 0.000 0.625 213 V N -2.844 117.174 119.914 0.174 0.000 3.114 213 V HA 0.910 5.030 4.120 0.000 0.000 0.308 213 V C 0.184 176.433 176.094 0.258 0.000 1.168 213 V CA -0.168 62.213 62.300 0.135 0.000 1.015 213 V CB 1.397 33.213 31.823 -0.011 0.000 1.050 213 V HN 1.285 nan 8.190 nan 0.000 0.433 214 G N 0.425 109.382 108.800 0.261 0.000 2.477 214 G HA2 0.489 4.449 3.960 0.000 0.000 0.304 214 G HA3 0.489 4.449 3.960 0.000 0.000 0.304 214 G C 0.653 175.798 174.900 0.408 0.000 1.175 214 G CA -0.052 45.213 45.100 0.275 0.000 0.907 214 G HN 1.095 nan 8.290 nan 0.000 0.509 215 V N 0.985 121.104 119.914 0.342 0.000 2.332 215 V HA -0.080 4.040 4.120 0.000 0.000 0.248 215 V C 2.174 178.487 176.094 0.365 0.000 1.055 215 V CA 2.273 64.807 62.300 0.389 0.000 1.038 215 V CB -0.589 31.346 31.823 0.186 0.000 0.651 215 V HN 0.811 nan 8.190 nan 0.000 0.450 216 A N -0.520 122.394 122.820 0.158 0.000 3.158 216 A HA 0.440 4.760 4.320 0.000 0.000 0.319 216 A C 0.740 178.291 177.584 -0.055 0.000 1.204 216 A CA -0.545 51.490 52.037 -0.004 0.000 0.992 216 A CB -0.573 18.423 19.000 -0.006 0.000 1.110 216 A HN 0.603 nan 8.150 nan 0.000 0.519 217 Y N -0.779 119.505 120.300 -0.026 0.000 2.716 217 Y HA 0.020 4.570 4.550 -0.000 0.000 0.302 217 Y C 0.905 176.715 175.900 -0.150 0.000 1.160 217 Y CA 0.661 58.697 58.100 -0.107 0.000 1.362 217 Y CB -0.482 37.857 38.460 -0.201 0.000 0.988 217 Y HN 0.449 nan 8.280 nan 0.000 0.546 218 N N 0.367 118.961 118.700 -0.176 0.000 2.187 218 N HA 0.325 5.065 4.740 0.000 0.000 0.212 218 N C 0.257 175.679 175.510 -0.146 0.000 1.152 218 N CA 0.478 53.400 53.050 -0.214 0.000 0.872 218 N CB 0.558 38.653 38.487 -0.654 0.000 1.025 218 N HN 0.405 nan 8.380 nan 0.000 0.514 219 A N 0.809 123.576 122.820 -0.087 0.000 2.272 219 A HA 0.525 4.845 4.320 0.000 0.000 0.275 219 A C 0.363 177.946 177.584 -0.001 0.000 1.096 219 A CA -0.294 51.721 52.037 -0.037 0.000 0.822 219 A CB 0.788 19.770 19.000 -0.031 0.000 1.088 219 A HN -0.004 nan 8.150 nan 0.000 0.495 220 R N -0.230 120.271 120.500 0.001 0.000 2.312 220 R HA 0.519 4.859 4.340 0.000 0.000 0.311 220 R C -1.361 174.933 176.300 -0.010 0.000 1.004 220 R CA -0.460 55.640 56.100 0.000 0.000 0.902 220 R CB 1.033 31.327 30.300 -0.009 0.000 1.073 220 R HN 0.578 nan 8.270 nan 0.000 0.457 221 I N 0.705 121.279 120.570 0.008 0.000 2.465 221 I HA 0.568 4.738 4.170 0.000 0.000 0.291 221 I C -0.169 175.964 176.117 0.027 0.000 1.014 221 I CA -0.231 61.085 61.300 0.026 0.000 1.093 221 I CB 2.009 40.050 38.000 0.068 0.000 1.267 221 I HN 0.688 nan 8.210 nan 0.000 0.431 222 G N 3.847 112.661 108.800 0.023 0.000 2.714 222 G HA2 0.804 4.764 3.960 0.000 0.000 0.292 222 G HA3 0.804 4.764 3.960 0.000 0.000 0.292 222 G C -1.198 173.780 174.900 0.131 0.000 1.308 222 G CA -0.725 44.407 45.100 0.053 0.000 0.964 222 G HN 0.893 nan 8.290 nan 0.000 0.484 223 G N -1.512 107.403 108.800 0.191 0.000 2.682 223 G HA2 0.560 4.520 3.960 0.000 0.000 0.300 223 G HA3 0.560 4.520 3.960 0.000 0.000 0.300 223 G C -1.620 173.381 174.900 0.168 0.000 1.391 223 G CA -0.403 44.794 45.100 0.163 0.000 0.990 223 G HN 0.852 nan 8.290 nan 0.000 0.501 224 V N 1.736 121.746 119.914 0.159 0.000 2.378 224 V HA 0.438 4.558 4.120 0.000 0.000 0.288 224 V C 0.445 176.606 176.094 0.112 0.000 1.016 224 V CA -0.868 61.536 62.300 0.173 0.000 0.840 224 V CB 1.324 33.270 31.823 0.207 0.000 0.994 224 V HN 0.777 nan 8.190 nan 0.000 0.431 225 R N 5.181 125.730 120.500 0.083 0.000 2.248 225 R HA 0.389 4.729 4.340 0.000 0.000 0.337 225 R C 0.426 176.730 176.300 0.007 0.000 1.085 225 R CA -0.118 55.995 56.100 0.021 0.000 0.934 225 R CB 0.335 30.633 30.300 -0.003 0.000 1.034 225 R HN 0.814 nan 8.270 nan 0.000 0.465 226 M N 2.632 122.199 119.600 -0.054 0.000 2.215 226 M HA 0.183 4.663 4.480 0.000 0.000 0.391 226 M C -0.352 175.816 176.300 -0.220 0.000 0.914 226 M CA 0.352 55.590 55.300 -0.104 0.000 1.035 226 M CB 0.612 33.162 32.600 -0.084 0.000 1.944 226 M HN 0.391 nan 8.290 nan 0.000 0.656 227 L N -0.159 120.920 121.223 -0.241 0.000 2.556 227 L HA 0.275 4.615 4.340 0.000 0.000 0.226 227 L C 0.487 177.248 176.870 -0.183 0.000 1.089 227 L CA 0.131 54.794 54.840 -0.296 0.000 0.864 227 L CB 0.200 42.051 42.059 -0.346 0.000 1.067 227 L HN 0.250 nan 8.230 nan 0.000 0.477 228 D N 1.387 121.710 120.400 -0.129 0.000 2.801 228 D HA 0.387 5.027 4.640 0.000 0.000 0.232 228 D C 0.359 176.613 176.300 -0.075 0.000 1.128 228 D CA 0.428 54.372 54.000 -0.093 0.000 1.003 228 D CB -0.102 40.652 40.800 -0.077 0.000 1.110 228 D HN 0.317 nan 8.370 nan 0.000 0.477 229 G N 0.580 109.331 108.800 -0.082 0.000 2.344 229 G HA2 0.008 3.968 3.960 0.000 0.000 0.282 229 G HA3 0.008 3.968 3.960 0.000 0.000 0.282 229 G C -1.223 173.636 174.900 -0.068 0.000 1.281 229 G CA -0.931 44.132 45.100 -0.061 0.000 0.877 229 G HN 0.178 nan 8.290 nan 0.000 0.494 230 E N 0.014 120.183 120.200 -0.051 0.000 2.217 230 E HA 0.390 4.740 4.350 0.000 0.000 0.279 230 E C -0.188 176.374 176.600 -0.064 0.000 1.068 230 E CA -0.380 55.991 56.400 -0.047 0.000 0.882 230 E CB 0.833 30.517 29.700 -0.027 0.000 1.039 230 E HN 0.266 nan 8.360 nan 0.000 0.418 231 V N 6.529 126.391 119.914 -0.086 0.000 2.223 231 V HA 0.048 4.168 4.120 0.000 0.000 0.249 231 V C 0.734 176.794 176.094 -0.056 0.000 1.233 231 V CA -0.165 62.063 62.300 -0.119 0.000 1.131 231 V CB -0.360 31.336 31.823 -0.211 0.000 1.298 231 V HN 0.774 nan 8.190 nan 0.000 0.498 232 T N -0.757 113.777 114.554 -0.033 0.000 2.754 232 T HA 0.145 4.495 4.350 0.000 0.000 0.286 232 T C 1.064 175.774 174.700 0.016 0.000 0.997 232 T CA -0.156 61.944 62.100 -0.001 0.000 0.982 232 T CB 1.242 70.109 68.868 -0.001 0.000 1.027 232 T HN 0.428 nan 8.240 nan 0.000 0.529 233 D N 0.702 121.122 120.400 0.033 0.000 2.104 233 D HA -0.094 4.546 4.640 0.000 0.000 0.194 233 D C 2.307 178.619 176.300 0.019 0.000 0.994 233 D CA 1.856 55.883 54.000 0.044 0.000 0.830 233 D CB -0.718 40.105 40.800 0.037 0.000 0.959 233 D HN 0.714 nan 8.370 nan 0.000 0.452 234 A N -0.116 122.708 122.820 0.006 0.000 1.940 234 A HA -0.123 4.197 4.320 0.000 0.000 0.219 234 A C 2.576 180.154 177.584 -0.009 0.000 1.176 234 A CA 1.623 53.656 52.037 -0.006 0.000 0.631 234 A CB -0.758 18.239 19.000 -0.004 0.000 0.814 234 A HN 0.228 nan 8.150 nan 0.000 0.446 235 V N 0.107 120.017 119.914 -0.008 0.000 2.358 235 V HA -0.247 3.873 4.120 0.000 0.000 0.246 235 V C 2.408 178.496 176.094 -0.010 0.000 1.047 235 V CA 2.223 64.515 62.300 -0.014 0.000 1.035 235 V CB -0.763 31.038 31.823 -0.037 0.000 0.658 235 V HN 0.650 nan 8.190 nan 0.000 0.452 236 E N 0.414 120.617 120.200 0.006 0.000 2.072 236 E HA -0.165 4.185 4.350 0.000 0.000 0.191 236 E C 2.332 178.934 176.600 0.003 0.000 0.985 236 E CA 1.249 57.687 56.400 0.064 0.000 0.801 236 E CB -0.331 29.477 29.700 0.180 0.000 0.750 236 E HN 0.588 nan 8.360 nan 0.000 0.452 237 A N 1.697 124.497 122.820 -0.034 0.000 1.933 237 A HA -0.183 4.137 4.320 0.000 0.000 0.218 237 A C 2.081 179.619 177.584 -0.076 0.000 1.175 237 A CA 1.214 53.199 52.037 -0.087 0.000 0.628 237 A CB -0.353 18.607 19.000 -0.067 0.000 0.814 237 A HN 0.076 nan 8.150 nan 0.000 0.444 238 R N -0.419 120.052 120.500 -0.048 0.000 2.115 238 R HA -0.015 4.325 4.340 0.000 0.000 0.226 238 R C 2.396 178.679 176.300 -0.028 0.000 1.100 238 R CA 1.349 57.415 56.100 -0.057 0.000 0.980 238 R CB -0.264 29.999 30.300 -0.062 0.000 0.875 238 R HN 0.503 nan 8.270 nan 0.000 0.445 239 S N 1.023 116.732 115.700 0.015 0.000 2.345 239 S HA -0.046 4.424 4.470 0.000 0.000 0.219 239 S C 1.765 176.417 174.600 0.087 0.000 1.031 239 S CA 0.693 58.947 58.200 0.091 0.000 0.984 239 S CB -0.104 63.172 63.200 0.127 0.000 0.874 239 S HN 0.065 nan 8.310 nan 0.000 0.451 240 L N 1.322 122.528 121.223 -0.029 0.000 2.131 240 L HA 0.027 4.367 4.340 0.000 0.000 0.210 240 L C 2.094 178.825 176.870 -0.231 0.000 1.092 240 L CA 1.457 56.174 54.840 -0.205 0.000 0.759 240 L CB -1.464 40.314 42.059 -0.468 0.000 0.903 240 L HN 0.429 nan 8.230 nan 0.000 0.435 241 G N -1.525 107.214 108.800 -0.103 0.000 3.523 241 G HA2 0.197 4.157 3.960 0.000 0.000 0.270 241 G HA3 0.197 4.157 3.960 0.000 0.000 0.270 241 G C 0.090 175.013 174.900 0.038 0.000 1.134 241 G CA -0.288 44.788 45.100 -0.040 0.000 0.825 241 G HN 0.141 nan 8.290 nan 0.000 0.534 242 L N 0.277 121.576 121.223 0.126 0.000 2.361 242 L HA 0.410 4.750 4.340 0.000 0.000 0.278 242 L C 0.149 177.136 176.870 0.195 0.000 1.113 242 L CA -0.318 54.598 54.840 0.126 0.000 0.849 242 L CB -0.193 41.957 42.059 0.152 0.000 1.155 242 L HN 0.254 nan 8.230 nan 0.000 0.452 243 N N 3.525 122.279 118.700 0.091 0.000 2.688 243 N HA -0.182 4.558 4.740 0.000 0.000 0.258 243 N C -2.074 173.508 175.510 0.120 0.000 1.016 243 N CA 0.826 53.931 53.050 0.090 0.000 0.747 243 N CB -0.728 37.819 38.487 0.101 0.000 0.895 243 N HN 0.566 nan 8.380 nan 0.000 0.543 244 P HA -0.156 nan 4.420 nan 0.000 0.218 244 P C 0.577 177.907 177.300 0.050 0.000 1.146 244 P CA 1.155 64.331 63.100 0.125 0.000 0.813 244 P CB 0.197 31.944 31.700 0.078 0.000 0.778 245 N N -2.623 116.096 118.700 0.031 0.000 2.280 245 N HA -0.026 4.714 4.740 0.000 0.000 0.192 245 N C 1.123 176.615 175.510 -0.029 0.000 1.109 245 N CA 0.371 53.423 53.050 0.002 0.000 0.855 245 N CB -0.073 38.428 38.487 0.024 0.000 0.974 245 N HN 0.328 nan 8.380 nan 0.000 0.482 246 H N -0.123 118.854 119.070 -0.155 0.000 2.521 246 H HA 0.379 4.935 4.556 0.000 0.000 0.267 246 H C 0.216 175.311 175.328 -0.388 0.000 0.963 246 H CA 0.151 56.069 56.048 -0.217 0.000 1.175 246 H CB 0.514 30.200 29.762 -0.127 0.000 1.450 246 H HN -0.109 nan 8.280 nan 0.000 0.472 247 I N 1.598 121.943 120.570 -0.376 0.000 2.371 247 I HA 0.094 4.264 4.170 0.000 0.000 0.290 247 I C 0.497 176.299 176.117 -0.526 0.000 1.028 247 I CA -0.019 60.969 61.300 -0.521 0.000 1.345 247 I CB 1.381 39.049 38.000 -0.554 0.000 1.407 247 I HN 0.431 nan 8.210 nan 0.000 0.501 248 H N 5.252 124.157 119.070 -0.275 0.000 2.418 248 H HA 0.356 4.912 4.556 0.000 0.000 0.300 248 H C -0.106 175.119 175.328 -0.172 0.000 1.041 248 H CA 0.586 56.533 56.048 -0.167 0.000 1.364 248 H CB 0.309 29.997 29.762 -0.123 0.000 1.439 248 H HN 0.380 nan 8.280 nan 0.000 0.540 249 I N 0.709 121.208 120.570 -0.118 0.000 2.498 249 I HA 0.206 4.376 4.170 0.000 0.000 0.290 249 I C -1.345 174.647 176.117 -0.208 0.000 1.032 249 I CA -0.910 60.337 61.300 -0.088 0.000 1.073 249 I CB 1.929 39.920 38.000 -0.015 0.000 1.251 249 I HN 0.032 nan 8.210 nan 0.000 0.426 250 Y N 3.507 123.804 120.300 -0.006 0.000 2.352 250 Y HA 0.465 5.015 4.550 0.000 0.000 0.339 250 Y C 0.405 176.353 175.900 0.080 0.000 0.992 250 Y CA -0.619 57.531 58.100 0.083 0.000 1.100 250 Y CB 2.050 40.650 38.460 0.233 0.000 1.192 250 Y HN 0.414 nan 8.280 nan 0.000 0.458 251 S N 2.628 118.416 115.700 0.146 0.000 2.530 251 S HA 0.830 5.300 4.470 0.000 0.000 0.322 251 S C -0.905 173.616 174.600 -0.132 0.000 1.085 251 S CA -0.499 57.706 58.200 0.009 0.000 1.096 251 S CB 0.123 63.326 63.200 0.006 0.000 0.988 251 S HN 0.751 nan 8.310 nan 0.000 0.466 252 A N 3.997 126.512 122.820 -0.509 0.000 2.310 252 A HA 0.633 4.953 4.320 0.000 0.000 0.304 252 A C -0.058 176.870 177.584 -1.094 0.000 1.231 252 A CA -0.608 50.818 52.037 -1.019 0.000 0.799 252 A CB 0.929 18.574 19.000 -2.259 0.000 1.162 252 A HN 0.657 nan 8.150 nan 0.000 0.486 253 S N 4.600 120.045 115.700 -0.425 0.000 2.912 253 S HA 0.493 4.963 4.470 0.000 0.000 0.184 253 S C -0.629 174.010 174.600 0.066 0.000 1.390 253 S CA -0.504 57.609 58.200 -0.144 0.000 1.088 253 S CB -0.688 62.596 63.200 0.139 0.000 1.284 253 S HN 0.771 nan 8.310 nan 0.000 0.502 254 W N -0.608 120.628 121.300 -0.106 0.000 2.982 254 W HA 0.686 5.346 4.660 0.000 0.000 0.344 254 W C -0.340 176.270 176.519 0.152 0.000 1.215 254 W CA -1.035 56.294 57.345 -0.026 0.000 1.182 254 W CB 0.559 29.959 29.460 -0.101 0.000 1.437 254 W HN 0.410 nan 8.180 nan 0.000 0.570 255 G N 0.364 109.444 108.800 0.466 0.000 2.325 255 G HA2 0.514 4.474 3.960 0.000 0.000 0.295 255 G HA3 0.514 4.474 3.960 0.000 0.000 0.295 255 G C -3.286 171.758 174.900 0.240 0.000 1.274 255 G CA -0.962 44.314 45.100 0.294 0.000 0.857 255 G HN 0.268 nan 8.290 nan 0.000 0.499 256 P HA 0.282 nan 4.420 nan 0.000 0.271 256 P C -0.041 177.337 177.300 0.129 0.000 1.233 256 P CA -0.270 62.939 63.100 0.182 0.000 0.789 256 P CB 0.504 32.324 31.700 0.201 0.000 0.951 257 E N 0.920 121.176 120.200 0.093 0.000 2.502 257 E HA -0.094 4.256 4.350 0.000 0.000 0.261 257 E C -0.378 176.262 176.600 0.066 0.000 0.974 257 E CA 0.255 56.696 56.400 0.068 0.000 0.936 257 E CB 0.077 29.805 29.700 0.046 0.000 0.926 257 E HN 0.284 nan 8.360 nan 0.000 0.459 258 D N 4.174 124.612 120.400 0.063 0.000 3.168 258 D HA -0.003 4.637 4.640 0.000 0.000 0.255 258 D C -0.198 176.130 176.300 0.047 0.000 1.314 258 D CA 0.035 54.072 54.000 0.062 0.000 0.900 258 D CB 0.195 41.036 40.800 0.068 0.000 1.072 258 D HN 0.444 nan 8.370 nan 0.000 0.487 259 D N -1.112 119.307 120.400 0.032 0.000 2.339 259 D HA 0.055 4.695 4.640 0.000 0.000 0.217 259 D C 1.548 177.855 176.300 0.012 0.000 1.050 259 D CA 0.034 54.037 54.000 0.004 0.000 0.856 259 D CB 0.016 40.813 40.800 -0.005 0.000 0.922 259 D HN 0.192 nan 8.370 nan 0.000 0.518 260 G N 0.779 109.606 108.800 0.045 0.000 2.153 260 G HA2 -0.363 3.597 3.960 0.000 0.000 0.252 260 G HA3 -0.363 3.597 3.960 0.000 0.000 0.252 260 G C 0.804 175.729 174.900 0.041 0.000 0.994 260 G CA 0.671 45.815 45.100 0.073 0.000 0.698 260 G HN 0.500 nan 8.290 nan 0.000 0.521 261 K N -0.892 119.515 120.400 0.010 0.000 2.491 261 K HA 0.214 4.534 4.320 0.000 0.000 0.211 261 K C 1.011 177.584 176.600 -0.044 0.000 1.210 261 K CA 0.635 56.908 56.287 -0.023 0.000 1.003 261 K CB 1.050 33.549 32.500 -0.001 0.000 1.009 261 K HN 0.396 nan 8.250 nan 0.000 0.577 262 T N -0.145 114.390 114.554 -0.032 0.000 2.902 262 T HA 0.469 4.819 4.350 0.000 0.000 0.283 262 T C -0.589 174.048 174.700 -0.105 0.000 1.009 262 T CA -0.590 61.477 62.100 -0.055 0.000 1.051 262 T CB 1.439 70.299 68.868 -0.013 0.000 0.999 262 T HN -0.185 nan 8.240 nan 0.000 0.474 263 V N 4.311 124.116 119.914 -0.182 0.000 2.380 263 V HA 0.585 4.705 4.120 0.000 0.000 0.286 263 V C -0.743 175.183 176.094 -0.280 0.000 1.015 263 V CA -0.609 61.465 62.300 -0.376 0.000 0.834 263 V CB 1.140 32.628 31.823 -0.559 0.000 1.009 263 V HN 1.060 nan 8.190 nan 0.000 0.428 264 D N 2.552 122.879 120.400 -0.121 0.000 2.609 264 D HA 0.815 5.455 4.640 0.000 0.000 0.239 264 D C -0.122 176.364 176.300 0.310 0.000 1.229 264 D CA 0.210 54.273 54.000 0.105 0.000 0.808 264 D CB 2.597 43.476 40.800 0.132 0.000 1.448 264 D HN 0.726 nan 8.370 nan 0.000 0.433 265 G N 0.328 109.297 108.800 0.281 0.000 2.663 265 G HA2 0.610 4.570 3.960 0.000 0.000 0.299 265 G HA3 0.610 4.570 3.960 0.000 0.000 0.299 265 G C -2.785 172.023 174.900 -0.153 0.000 1.372 265 G CA -1.016 44.099 45.100 0.024 0.000 0.781 265 G HN 0.411 nan 8.290 nan 0.000 0.491 266 P HA 0.394 nan 4.420 nan 0.000 0.269 266 P C 0.169 177.442 177.300 -0.045 0.000 1.209 266 P CA 0.282 63.232 63.100 -0.250 0.000 0.776 266 P CB 1.386 32.916 31.700 -0.283 0.000 0.876 267 A N 4.024 126.870 122.820 0.043 0.000 2.388 267 A HA 0.269 4.589 4.320 0.000 0.000 0.280 267 A C 1.820 179.414 177.584 0.015 0.000 1.377 267 A CA -0.399 51.661 52.037 0.037 0.000 0.863 267 A CB 0.085 19.120 19.000 0.058 0.000 1.416 267 A HN 0.438 nan 8.150 nan 0.000 0.517 268 R N -0.803 119.706 120.500 0.016 0.000 2.097 268 R HA -0.148 4.192 4.340 0.000 0.000 0.236 268 R C 1.931 178.232 176.300 0.000 0.000 1.135 268 R CA 1.805 57.910 56.100 0.009 0.000 0.934 268 R CB -1.329 28.978 30.300 0.011 0.000 0.846 268 R HN 0.692 nan 8.270 nan 0.000 0.431 269 L N 0.401 121.621 121.223 -0.004 0.000 2.093 269 L HA -0.076 4.264 4.340 0.000 0.000 0.208 269 L C 2.737 179.577 176.870 -0.050 0.000 1.085 269 L CA 1.125 55.952 54.840 -0.023 0.000 0.755 269 L CB -0.623 41.424 42.059 -0.020 0.000 0.904 269 L HN 0.208 nan 8.230 nan 0.000 0.435 270 A N -0.038 122.756 122.820 -0.044 0.000 1.898 270 A HA -0.234 4.086 4.320 0.000 0.000 0.216 270 A C 2.175 179.684 177.584 -0.125 0.000 1.181 270 A CA 1.714 53.682 52.037 -0.114 0.000 0.620 270 A CB -0.389 18.600 19.000 -0.018 0.000 0.819 270 A HN 0.358 nan 8.150 nan 0.000 0.442 271 E N 0.380 120.573 120.200 -0.011 0.000 2.077 271 E HA -0.191 4.159 4.350 0.000 0.000 0.193 271 E C 1.878 178.502 176.600 0.040 0.000 0.989 271 E CA 1.820 58.256 56.400 0.060 0.000 0.800 271 E CB -0.249 29.466 29.700 0.026 0.000 0.746 271 E HN 0.711 nan 8.360 nan 0.000 0.452 272 E N -0.327 119.874 120.200 0.002 0.000 2.051 272 E HA -0.194 4.156 4.350 0.000 0.000 0.192 272 E C 2.060 178.627 176.600 -0.055 0.000 0.991 272 E CA 0.902 57.300 56.400 -0.002 0.000 0.799 272 E CB -0.240 29.448 29.700 -0.020 0.000 0.748 272 E HN 0.382 nan 8.360 nan 0.000 0.449 273 A N 0.888 123.635 122.820 -0.122 0.000 1.892 273 A HA -0.211 4.109 4.320 0.000 0.000 0.218 273 A C 1.975 179.432 177.584 -0.212 0.000 1.188 273 A CA 1.322 53.246 52.037 -0.187 0.000 0.631 273 A CB -0.976 17.855 19.000 -0.281 0.000 0.822 273 A HN 0.232 nan 8.150 nan 0.000 0.447 274 F N -1.588 118.170 119.950 -0.321 0.000 2.069 274 F HA -0.168 4.359 4.527 0.000 0.000 0.298 274 F C 2.259 177.688 175.800 -0.619 0.000 1.113 274 F CA 1.620 59.288 58.000 -0.553 0.000 1.214 274 F CB -0.329 38.337 39.000 -0.557 0.000 0.978 274 F HN 0.340 nan 8.300 nan 0.000 0.474 275 F N 0.489 120.069 119.950 -0.617 0.000 2.146 275 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 275 F C 2.740 178.325 175.800 -0.357 0.000 1.096 275 F CA 0.775 58.352 58.000 -0.703 0.000 1.275 275 F CB -0.188 38.561 39.000 -0.418 0.000 1.008 275 F HN -0.170 nan 8.300 nan 0.000 0.480 276 R N 0.486 120.930 120.500 -0.093 0.000 2.081 276 R HA -0.145 4.195 4.340 0.000 0.000 0.235 276 R C 2.341 178.602 176.300 -0.067 0.000 1.131 276 R CA 1.563 57.587 56.100 -0.127 0.000 0.960 276 R CB -0.871 29.371 30.300 -0.096 0.000 0.856 276 R HN 0.372 nan 8.270 nan 0.000 0.436 277 G N -0.345 108.455 108.800 0.001 0.000 2.422 277 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 277 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 277 G C 1.324 176.226 174.900 0.002 0.000 1.140 277 G CA 0.512 45.657 45.100 0.076 0.000 0.775 277 G HN 0.254 nan 8.290 nan 0.000 0.545 278 V N 0.609 120.469 119.914 -0.089 0.000 2.871 278 V HA -0.060 4.060 4.120 0.000 0.000 0.256 278 V C 2.816 178.799 176.094 -0.186 0.000 1.082 278 V CA 2.060 64.122 62.300 -0.396 0.000 1.105 278 V CB 0.283 31.561 31.823 -0.908 0.000 0.713 278 V HN 0.365 nan 8.190 nan 0.000 0.473 279 S N -0.888 114.780 115.700 -0.054 0.000 2.427 279 S HA -0.014 4.456 4.470 0.000 0.000 0.224 279 S C 1.687 176.303 174.600 0.028 0.000 1.047 279 S CA 0.496 58.707 58.200 0.019 0.000 0.953 279 S CB 0.112 63.235 63.200 -0.128 0.000 0.824 279 S HN 0.647 nan 8.310 nan 0.000 0.502 280 Q N 0.594 120.391 119.800 -0.006 0.000 2.316 280 Q HA 0.274 4.614 4.340 0.000 0.000 0.235 280 Q C 1.036 177.054 176.000 0.031 0.000 0.863 280 Q CA -0.080 55.728 55.803 0.009 0.000 0.939 280 Q CB 0.322 29.049 28.738 -0.020 0.000 1.108 280 Q HN 0.433 nan 8.270 nan 0.000 0.522 281 G N 0.957 109.777 108.800 0.033 0.000 2.614 281 G HA2 0.042 4.002 3.960 0.000 0.000 0.239 281 G HA3 0.042 4.002 3.960 0.000 0.000 0.239 281 G C -0.307 174.633 174.900 0.066 0.000 1.240 281 G CA -0.384 44.744 45.100 0.047 0.000 0.842 281 G HN 0.308 nan 8.290 nan 0.000 0.584 282 R N -0.495 120.040 120.500 0.058 0.000 3.322 282 R HA -0.191 4.149 4.340 0.000 0.000 0.253 282 R C 1.441 177.790 176.300 0.083 0.000 0.987 282 R CA 0.767 56.913 56.100 0.076 0.000 0.666 282 R CB -1.641 28.733 30.300 0.123 0.000 1.072 282 R HN 2.001 nan 8.270 nan 0.000 0.447 283 G N -1.445 107.392 108.800 0.062 0.000 2.321 283 G HA2 -0.150 3.810 3.960 0.000 0.000 0.287 283 G HA3 -0.150 3.810 3.960 0.000 0.000 0.287 283 G C 0.990 175.932 174.900 0.070 0.000 1.018 283 G CA 1.088 46.224 45.100 0.059 0.000 0.855 283 G HN 1.469 nan 8.290 nan 0.000 0.507 284 G N -1.897 106.952 108.800 0.080 0.000 2.194 284 G HA2 -0.257 3.703 3.960 0.000 0.000 0.236 284 G HA3 -0.257 3.703 3.960 0.000 0.000 0.236 284 G C 1.155 176.146 174.900 0.152 0.000 0.987 284 G CA 0.691 45.851 45.100 0.100 0.000 0.635 284 G HN 1.136 nan 8.290 nan 0.000 0.520 285 L N 0.825 122.142 121.223 0.155 0.000 2.313 285 L HA 0.438 4.778 4.340 0.000 0.000 0.214 285 L C 1.569 178.623 176.870 0.306 0.000 1.119 285 L CA 0.974 55.934 54.840 0.201 0.000 0.809 285 L CB -0.329 41.824 42.059 0.157 0.000 0.933 285 L HN 1.253 nan 8.230 nan 0.000 0.449 286 G N -0.098 108.844 108.800 0.238 0.000 3.055 286 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 286 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 286 G C -0.360 174.610 174.900 0.116 0.000 1.087 286 G CA -0.689 44.536 45.100 0.209 0.000 0.779 286 G HN -0.007 nan 8.290 nan 0.000 0.599 287 S N 0.555 116.231 115.700 -0.040 0.000 2.568 287 S HA 0.434 4.904 4.470 0.000 0.000 0.282 287 S C 0.948 175.375 174.600 -0.288 0.000 1.338 287 S CA 0.091 58.176 58.200 -0.191 0.000 1.045 287 S CB 0.674 63.575 63.200 -0.498 0.000 0.873 287 S HN 0.593 nan 8.310 nan 0.000 0.516 288 I N 3.005 123.461 120.570 -0.189 0.000 2.328 288 I HA 0.305 4.475 4.170 0.000 0.000 0.287 288 I C -1.092 174.991 176.117 -0.056 0.000 1.012 288 I CA -0.216 61.062 61.300 -0.037 0.000 1.195 288 I CB 0.585 38.634 38.000 0.081 0.000 1.350 288 I HN 0.480 nan 8.210 nan 0.000 0.464 289 F N 6.201 126.348 119.950 0.328 0.000 2.361 289 F HA 0.407 4.934 4.527 0.000 0.000 0.364 289 F C 0.114 176.116 175.800 0.336 0.000 1.120 289 F CA -0.896 57.334 58.000 0.384 0.000 1.102 289 F CB 1.151 40.453 39.000 0.504 0.000 1.183 289 F HN 0.049 nan 8.300 nan 0.000 0.476 290 V N 3.773 123.930 119.914 0.405 0.000 2.427 290 V HA 0.262 4.382 4.120 0.000 0.000 0.286 290 V C -0.570 175.652 176.094 0.213 0.000 1.034 290 V CA -0.815 61.640 62.300 0.259 0.000 0.893 290 V CB 1.404 33.304 31.823 0.128 0.000 0.982 290 V HN 0.718 nan 8.190 nan 0.000 0.452 291 W N 2.832 124.165 121.300 0.055 0.000 2.844 291 W HA 0.723 5.383 4.660 -0.000 0.000 0.340 291 W C -0.197 176.308 176.519 -0.024 0.000 1.093 291 W CA -1.018 56.316 57.345 -0.017 0.000 1.212 291 W CB 2.385 31.825 29.460 -0.033 0.000 1.422 291 W HN 0.592 nan 8.180 nan 0.000 0.515 292 A N 2.084 124.935 122.820 0.051 0.000 2.362 292 A HA 0.299 4.619 4.320 0.000 0.000 0.276 292 A C 1.113 178.816 177.584 0.198 0.000 1.153 292 A CA 0.314 52.398 52.037 0.077 0.000 0.813 292 A CB 0.665 19.661 19.000 -0.008 0.000 1.081 292 A HN 0.652 nan 8.150 nan 0.000 0.507 293 S N 2.287 118.073 115.700 0.144 0.000 2.442 293 S HA 0.354 4.824 4.470 0.000 0.000 0.236 293 S C 0.968 175.639 174.600 0.118 0.000 1.007 293 S CA 0.650 58.929 58.200 0.131 0.000 0.965 293 S CB -0.557 62.695 63.200 0.087 0.000 0.773 293 S HN 2.561 nan 8.310 nan 0.000 0.504 294 G N 0.422 109.286 108.800 0.106 0.000 2.453 294 G HA2 0.072 4.032 3.960 0.000 0.000 0.665 294 G HA3 0.072 4.032 3.960 0.000 0.000 0.665 294 G C -0.729 174.215 174.900 0.074 0.000 1.411 294 G CA -0.550 44.605 45.100 0.091 0.000 0.889 294 G HN 0.107 nan 8.290 nan 0.000 0.651 295 N N 0.029 118.757 118.700 0.048 0.000 2.234 295 N HA 0.179 4.919 4.740 0.000 0.000 0.227 295 N C 1.622 177.161 175.510 0.048 0.000 1.151 295 N CA 0.585 53.648 53.050 0.022 0.000 0.865 295 N CB 1.251 39.686 38.487 -0.086 0.000 1.066 295 N HN 0.920 nan 8.380 nan 0.000 0.515 296 G N -0.179 108.658 108.800 0.062 0.000 3.279 296 G HA2 0.090 4.050 3.960 0.000 0.000 0.230 296 G HA3 0.090 4.050 3.960 0.000 0.000 0.230 296 G C 1.373 176.308 174.900 0.058 0.000 1.230 296 G CA 0.189 45.331 45.100 0.070 0.000 0.891 296 G HN 0.259 nan 8.290 nan 0.000 0.518 297 G N 1.160 109.982 108.800 0.037 0.000 2.491 297 G HA2 -0.312 3.648 3.960 0.000 0.000 0.218 297 G HA3 -0.312 3.648 3.960 0.000 0.000 0.218 297 G C 1.690 176.565 174.900 -0.041 0.000 1.180 297 G CA 0.914 46.007 45.100 -0.012 0.000 0.774 297 G HN 0.505 nan 8.290 nan 0.000 0.562 298 R N 0.343 120.911 120.500 0.114 0.000 2.159 298 R HA -0.078 4.262 4.340 0.000 0.000 0.237 298 R C 1.500 177.782 176.300 -0.030 0.000 1.131 298 R CA 1.403 57.552 56.100 0.083 0.000 0.982 298 R CB 0.020 30.487 30.300 0.278 0.000 0.868 298 R HN 0.259 nan 8.270 nan 0.000 0.453 299 E N -0.391 119.826 120.200 0.028 0.000 2.463 299 E HA -0.007 4.343 4.350 0.000 0.000 0.193 299 E C -0.392 176.355 176.600 0.245 0.000 1.041 299 E CA 0.032 56.517 56.400 0.142 0.000 0.879 299 E CB 0.117 29.856 29.700 0.065 0.000 0.997 299 E HN 0.349 nan 8.360 nan 0.000 0.478 300 H N 0.310 119.462 119.070 0.136 0.000 2.862 300 H HA -0.162 4.394 4.556 -0.000 0.000 0.290 300 H C -0.073 175.287 175.328 0.055 0.000 1.211 300 H CA 0.932 57.023 56.048 0.073 0.000 1.140 300 H CB -1.417 28.370 29.762 0.042 0.000 1.341 300 H HN 0.245 nan 8.280 nan 0.000 0.392 301 D N 0.372 120.844 120.400 0.121 0.000 2.368 301 D HA 0.221 4.861 4.640 0.000 0.000 0.240 301 D C 0.192 176.536 176.300 0.074 0.000 1.169 301 D CA 0.290 54.345 54.000 0.092 0.000 0.906 301 D CB 0.921 41.766 40.800 0.075 0.000 1.187 301 D HN 0.230 nan 8.370 nan 0.000 0.435 302 S N 0.730 116.472 115.700 0.069 0.000 2.552 302 S HA 0.261 4.731 4.470 0.000 0.000 0.314 302 S C 1.105 175.753 174.600 0.080 0.000 1.099 302 S CA -0.855 57.385 58.200 0.066 0.000 1.070 302 S CB 0.137 63.378 63.200 0.069 0.000 0.998 302 S HN 0.601 nan 8.310 nan 0.000 0.474 303 c N 3.666 122.311 118.600 0.074 0.000 2.511 303 c HA 0.196 4.766 4.570 0.000 0.000 0.277 303 c C 1.691 175.844 174.090 0.105 0.000 1.451 303 c CA -0.288 56.092 56.329 0.084 0.000 1.735 303 c CB -2.147 40.404 42.510 0.068 0.000 1.704 303 c HN 0.808 nan 8.230 nan 0.000 0.571 304 N N -0.086 118.697 118.700 0.138 0.000 2.467 304 N HA 0.050 4.790 4.740 0.000 0.000 0.184 304 N C 0.894 176.595 175.510 0.319 0.000 1.106 304 N CA 0.526 53.701 53.050 0.209 0.000 0.892 304 N CB -0.273 38.386 38.487 0.287 0.000 0.969 304 N HN 0.590 nan 8.380 nan 0.000 0.454 305 C N 0.077 119.494 119.300 0.195 0.000 2.754 305 C HA 0.201 4.661 4.460 0.000 0.000 0.276 305 C C 0.436 175.499 174.990 0.122 0.000 1.264 305 C CA -0.743 58.299 59.018 0.039 0.000 1.700 305 C CB -1.086 26.636 27.740 -0.031 0.000 1.885 305 C HN 0.242 nan 8.230 nan 0.000 0.607 306 D N 0.192 120.737 120.400 0.243 0.000 2.453 306 D HA 0.262 4.902 4.640 0.000 0.000 0.238 306 D C 1.194 177.612 176.300 0.197 0.000 1.088 306 D CA -0.089 54.048 54.000 0.227 0.000 0.854 306 D CB 1.278 42.169 40.800 0.151 0.000 1.076 306 D HN 0.256 nan 8.370 nan 0.000 0.533 307 G N 2.406 111.349 108.800 0.239 0.000 2.498 307 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 307 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 307 G C 0.825 175.409 174.900 -0.526 0.000 1.119 307 G CA 0.798 45.790 45.100 -0.180 0.000 0.766 307 G HN 0.497 nan 8.290 nan 0.000 0.552 308 Y N 1.031 121.088 120.300 -0.406 0.000 2.269 308 Y HA -0.013 4.537 4.550 -0.000 0.000 0.294 308 Y C 3.253 178.569 175.900 -0.973 0.000 1.120 308 Y CA 1.497 59.053 58.100 -0.907 0.000 1.159 308 Y CB -0.607 37.058 38.460 -1.325 0.000 1.024 308 Y HN 0.229 nan 8.280 nan 0.000 0.532 309 T N -2.341 111.940 114.554 -0.455 0.000 2.942 309 T HA -0.121 4.229 4.350 0.000 0.000 0.265 309 T C 1.568 176.143 174.700 -0.208 0.000 1.062 309 T CA 1.377 63.325 62.100 -0.253 0.000 1.139 309 T CB -0.537 68.306 68.868 -0.042 0.000 0.883 309 T HN 0.180 nan 8.240 nan 0.000 0.468 310 N N 1.330 119.895 118.700 -0.225 0.000 2.515 310 N HA 0.074 4.814 4.740 0.000 0.000 0.185 310 N C 0.535 175.820 175.510 -0.375 0.000 1.109 310 N CA 0.081 52.995 53.050 -0.226 0.000 0.903 310 N CB -0.170 38.205 38.487 -0.187 0.000 0.969 310 N HN 0.395 nan 8.380 nan 0.000 0.450 311 S N -0.274 115.118 115.700 -0.513 0.000 2.572 311 S HA 0.080 4.550 4.470 0.000 0.000 0.279 311 S C 1.615 175.832 174.600 -0.638 0.000 1.341 311 S CA -0.612 57.174 58.200 -0.690 0.000 1.043 311 S CB 0.211 62.857 63.200 -0.923 0.000 0.887 311 S HN 0.326 nan 8.310 nan 0.000 0.516 312 I N 2.189 122.220 120.570 -0.899 0.000 2.928 312 I HA 0.038 4.208 4.170 0.000 0.000 0.266 312 I C 0.908 176.641 176.117 -0.639 0.000 1.234 312 I CA 0.850 61.586 61.300 -0.940 0.000 1.483 312 I CB -0.425 36.693 38.000 -1.470 0.000 1.097 312 I HN 0.712 nan 8.210 nan 0.000 0.455 313 Y N 2.725 122.731 120.300 -0.490 0.000 2.583 313 Y HA 0.078 4.628 4.550 -0.000 0.000 0.293 313 Y C 1.401 177.246 175.900 -0.091 0.000 1.157 313 Y CA 0.178 58.038 58.100 -0.399 0.000 1.315 313 Y CB -0.181 37.897 38.460 -0.637 0.000 1.021 313 Y HN 0.298 nan 8.280 nan 0.000 0.536 314 T N -1.818 112.706 114.554 -0.050 0.000 2.912 314 T HA 0.593 4.943 4.350 0.000 0.000 0.288 314 T C -0.862 173.941 174.700 0.170 0.000 1.030 314 T CA -0.969 61.219 62.100 0.148 0.000 1.020 314 T CB 1.882 70.763 68.868 0.022 0.000 1.056 314 T HN -0.092 nan 8.240 nan 0.000 0.480 315 L N 2.643 124.009 121.223 0.238 0.000 2.270 315 L HA 0.475 4.815 4.340 0.000 0.000 0.286 315 L C 0.758 177.727 176.870 0.165 0.000 1.059 315 L CA -0.240 54.696 54.840 0.161 0.000 0.839 315 L CB 1.013 43.149 42.059 0.128 0.000 1.221 315 L HN 0.821 nan 8.230 nan 0.000 0.431 316 S N 4.465 120.239 115.700 0.122 0.000 2.481 316 S HA 0.546 5.016 4.470 0.000 0.000 0.276 316 S C -0.086 174.573 174.600 0.098 0.000 1.247 316 S CA -0.537 57.742 58.200 0.131 0.000 1.053 316 S CB 0.002 63.249 63.200 0.077 0.000 0.925 316 S HN 0.328 nan 8.310 nan 0.000 0.491 317 I N 4.220 124.853 120.570 0.104 0.000 2.433 317 I HA 0.399 4.569 4.170 0.000 0.000 0.292 317 I C 0.636 176.793 176.117 0.066 0.000 1.001 317 I CA -0.373 60.968 61.300 0.068 0.000 1.119 317 I CB 1.363 39.392 38.000 0.047 0.000 1.289 317 I HN 0.523 nan 8.210 nan 0.000 0.438 318 S N 3.311 119.050 115.700 0.065 0.000 2.768 318 S HA 0.694 5.164 4.470 0.000 0.000 0.300 318 S C 0.061 174.717 174.600 0.093 0.000 1.122 318 S CA -0.463 57.781 58.200 0.075 0.000 0.995 318 S CB 1.780 65.013 63.200 0.056 0.000 1.195 318 S HN 0.658 nan 8.310 nan 0.000 0.547 319 S N 0.139 115.912 115.700 0.122 0.000 2.648 319 S HA 0.882 5.352 4.470 0.000 0.000 0.305 319 S C -0.826 173.889 174.600 0.191 0.000 1.094 319 S CA -0.710 57.577 58.200 0.146 0.000 0.983 319 S CB 1.696 65.044 63.200 0.247 0.000 1.101 319 S HN 0.907 nan 8.310 nan 0.000 0.514 320 A N 1.362 124.291 122.820 0.182 0.000 2.486 320 A HA 0.762 5.082 4.320 0.000 0.000 0.300 320 A C -0.002 177.786 177.584 0.341 0.000 1.048 320 A CA -0.817 51.359 52.037 0.232 0.000 0.696 320 A CB 0.911 19.900 19.000 -0.018 0.000 1.278 320 A HN 0.811 nan 8.150 nan 0.000 0.405 321 T N -0.950 113.795 114.554 0.318 0.000 2.788 321 T HA 0.259 4.609 4.350 0.000 0.000 0.287 321 T C 1.126 176.017 174.700 0.319 0.000 1.007 321 T CA 0.433 62.720 62.100 0.312 0.000 1.005 321 T CB 0.837 69.844 68.868 0.232 0.000 1.012 321 T HN 0.785 nan 8.240 nan 0.000 0.530 322 Q N -0.176 119.598 119.800 -0.044 0.000 2.152 322 Q HA -0.142 4.198 4.340 0.000 0.000 0.206 322 Q C 0.810 176.438 176.000 -0.620 0.000 0.985 322 Q CA 1.736 57.109 55.803 -0.717 0.000 0.863 322 Q CB -0.342 27.482 28.738 -1.524 0.000 0.904 322 Q HN 0.831 nan 8.270 nan 0.000 0.422 323 F N -0.519 119.424 119.950 -0.012 0.000 2.664 323 F HA 0.311 4.838 4.527 -0.000 0.000 0.301 323 F C 1.235 177.118 175.800 0.139 0.000 1.126 323 F CA 0.363 58.386 58.000 0.037 0.000 1.373 323 F CB 0.601 39.605 39.000 0.006 0.000 1.042 323 F HN 0.215 nan 8.300 nan 0.000 0.535 324 G N 0.779 109.763 108.800 0.305 0.000 2.198 324 G HA2 -0.280 3.680 3.960 0.000 0.000 0.257 324 G HA3 -0.280 3.680 3.960 0.000 0.000 0.257 324 G C -0.104 174.960 174.900 0.274 0.000 1.042 324 G CA -0.251 45.026 45.100 0.294 0.000 0.791 324 G HN 0.339 nan 8.290 nan 0.000 0.502 325 N N -1.030 117.842 118.700 0.288 0.000 2.483 325 N HA 0.527 5.267 4.740 0.000 0.000 0.285 325 N C 0.280 175.954 175.510 0.273 0.000 1.210 325 N CA -0.580 52.632 53.050 0.271 0.000 0.931 325 N CB 1.673 40.285 38.487 0.209 0.000 1.220 325 N HN 0.013 nan 8.380 nan 0.000 0.542 326 V N 2.803 122.829 119.914 0.188 0.000 2.446 326 V HA 0.143 4.263 4.120 0.000 0.000 0.276 326 V C -1.798 174.254 176.094 -0.070 0.000 1.030 326 V CA -0.970 61.340 62.300 0.016 0.000 1.033 326 V CB 0.272 32.017 31.823 -0.131 0.000 0.993 326 V HN 0.538 nan 8.190 nan 0.000 0.477 327 P HA -0.008 nan 4.420 nan 0.000 0.269 327 P C 0.914 177.905 177.300 -0.516 0.000 1.217 327 P CA -0.206 62.584 63.100 -0.517 0.000 0.783 327 P CB 0.354 31.316 31.700 -1.231 0.000 0.898 328 W N 1.911 123.002 121.300 -0.348 0.000 2.465 328 W HA -0.157 4.503 4.660 0.000 0.000 0.268 328 W C 0.840 177.266 176.519 -0.154 0.000 1.242 328 W CA 0.761 58.001 57.345 -0.175 0.000 1.248 328 W CB -1.499 27.938 29.460 -0.037 0.000 1.118 328 W HN 0.432 nan 8.180 nan 0.000 0.587 329 Y N 1.497 121.323 120.300 -0.790 0.000 2.482 329 Y HA 0.381 4.931 4.550 0.000 0.000 0.270 329 Y C 1.372 177.077 175.900 -0.325 0.000 1.152 329 Y CA -0.468 57.187 58.100 -0.742 0.000 1.292 329 Y CB -1.475 36.238 38.460 -1.245 0.000 1.070 329 Y HN -0.172 nan 8.280 nan 0.000 0.528 330 S N 1.849 117.272 115.700 -0.461 0.000 2.537 330 S HA 0.041 4.511 4.470 0.000 0.000 0.286 330 S C -0.237 174.297 174.600 -0.109 0.000 1.299 330 S CA -0.486 57.580 58.200 -0.224 0.000 1.067 330 S CB 0.165 63.178 63.200 -0.312 0.000 0.864 330 S HN 0.529 nan 8.310 nan 0.000 0.494 331 E N 2.460 122.635 120.200 -0.043 0.000 2.191 331 E HA 0.586 4.936 4.350 0.000 0.000 0.278 331 E C -0.420 176.160 176.600 -0.034 0.000 0.972 331 E CA -0.796 55.594 56.400 -0.016 0.000 0.804 331 E CB 1.683 31.399 29.700 0.027 0.000 1.110 331 E HN 0.705 nan 8.360 nan 0.000 0.394 332 A N 1.962 124.763 122.820 -0.031 0.000 2.303 332 A HA 0.732 5.052 4.320 0.000 0.000 0.317 332 A C -0.279 177.318 177.584 0.021 0.000 1.149 332 A CA -0.453 51.565 52.037 -0.031 0.000 0.822 332 A CB 0.270 19.237 19.000 -0.055 0.000 1.131 332 A HN 0.866 nan 8.150 nan 0.000 0.493 333 c N -0.605 118.034 118.600 0.064 0.000 3.197 333 c HA 0.579 5.149 4.570 0.000 0.000 0.343 333 c C 0.952 175.071 174.090 0.048 0.000 1.291 333 c CA 0.036 56.415 56.329 0.083 0.000 1.191 333 c CB 0.793 43.338 42.510 0.059 0.000 1.444 333 c HN 1.451 nan 8.230 nan 0.000 0.468 334 S N 0.330 116.014 115.700 -0.027 0.000 2.562 334 S HA 0.005 4.475 4.470 0.000 0.000 0.221 334 S C 1.193 175.718 174.600 -0.125 0.000 0.975 334 S CA 1.047 59.038 58.200 -0.347 0.000 0.918 334 S CB -0.465 62.489 63.200 -0.411 0.000 0.772 334 S HN 1.781 nan 8.310 nan 0.000 0.531 335 S N 0.460 116.152 115.700 -0.013 0.000 2.528 335 S HA 0.115 4.585 4.470 0.000 0.000 0.219 335 S C 0.705 175.334 174.600 0.048 0.000 0.985 335 S CA -0.216 58.001 58.200 0.029 0.000 0.914 335 S CB -0.747 62.455 63.200 0.002 0.000 0.776 335 S HN 0.376 nan 8.310 nan 0.000 0.526 336 T N 2.870 117.449 114.554 0.042 0.000 2.940 336 T HA 0.264 4.614 4.350 0.000 0.000 0.309 336 T C 0.749 175.480 174.700 0.050 0.000 1.056 336 T CA -0.089 62.037 62.100 0.043 0.000 1.137 336 T CB 1.054 69.938 68.868 0.025 0.000 0.976 336 T HN 0.159 nan 8.240 nan 0.000 0.547 337 L N 2.490 123.741 121.223 0.046 0.000 2.349 337 L HA 0.614 4.954 4.340 0.000 0.000 0.200 337 L C 0.787 177.695 176.870 0.063 0.000 1.064 337 L CA 0.996 55.862 54.840 0.043 0.000 0.821 337 L CB -0.228 41.816 42.059 -0.026 0.000 1.027 337 L HN 0.804 nan 8.230 nan 0.000 0.476 338 A N -2.361 120.483 122.820 0.039 0.000 2.533 338 A HA 0.781 5.101 4.320 0.000 0.000 0.293 338 A C -0.937 176.672 177.584 0.043 0.000 1.228 338 A CA -0.248 51.813 52.037 0.041 0.000 0.689 338 A CB 0.863 19.861 19.000 -0.004 0.000 1.303 338 A HN -0.003 nan 8.150 nan 0.000 0.444 339 T N 0.639 115.206 114.554 0.021 0.000 2.906 339 T HA 0.806 5.156 4.350 0.000 0.000 0.295 339 T C -0.476 174.174 174.700 -0.083 0.000 1.075 339 T CA 0.080 62.184 62.100 0.006 0.000 1.005 339 T CB 1.743 70.636 68.868 0.041 0.000 1.136 339 T HN 1.437 nan 8.240 nan 0.000 0.498 340 T N -0.931 113.568 114.554 -0.092 0.000 2.883 340 T HA 0.657 5.007 4.350 0.000 0.000 0.301 340 T C -1.020 173.600 174.700 -0.134 0.000 1.158 340 T CA -0.826 61.188 62.100 -0.143 0.000 1.007 340 T CB 0.686 69.506 68.868 -0.080 0.000 1.186 340 T HN 0.467 nan 8.240 nan 0.000 0.499 341 Y N 0.772 121.045 120.300 -0.044 0.000 2.457 341 Y HA 0.508 5.058 4.550 -0.000 0.000 0.341 341 Y C 1.456 177.309 175.900 -0.078 0.000 1.240 341 Y CA 0.788 58.886 58.100 -0.002 0.000 1.437 341 Y CB 1.059 39.486 38.460 -0.054 0.000 1.328 341 Y HN 0.961 nan 8.280 nan 0.000 0.588 342 S N -0.364 115.517 115.700 0.303 0.000 2.815 342 S HA 0.386 4.856 4.470 0.000 0.000 0.296 342 S C -1.032 173.773 174.600 0.342 0.000 1.224 342 S CA -0.489 57.813 58.200 0.170 0.000 0.938 342 S CB -0.006 63.263 63.200 0.115 0.000 1.285 342 S HN 0.714 nan 8.310 nan 0.000 0.549 343 S N -0.063 115.796 115.700 0.265 0.000 2.600 343 S HA 0.741 5.211 4.470 0.000 0.000 0.265 343 S C 0.600 175.419 174.600 0.365 0.000 1.325 343 S CA 0.289 58.673 58.200 0.307 0.000 1.002 343 S CB 0.674 64.013 63.200 0.232 0.000 0.921 343 S HN 1.266 nan 8.310 nan 0.000 0.554 344 G N 0.854 109.848 108.800 0.323 0.000 3.265 344 G HA2 0.400 4.360 3.960 0.000 0.000 0.171 344 G HA3 0.400 4.360 3.960 0.000 0.000 0.171 344 G C -0.688 174.437 174.900 0.375 0.000 1.110 344 G CA -0.707 44.578 45.100 0.308 0.000 0.855 344 G HN 0.626 nan 8.290 nan 0.000 0.658 345 N N 0.094 118.965 118.700 0.287 0.000 2.322 345 N HA 0.118 4.858 4.740 0.000 0.000 0.270 345 N C 1.255 176.868 175.510 0.171 0.000 1.286 345 N CA -0.286 52.900 53.050 0.227 0.000 0.948 345 N CB 0.758 39.336 38.487 0.151 0.000 1.164 345 N HN 0.593 nan 8.380 nan 0.000 0.551 346 Q N -0.054 119.811 119.800 0.109 0.000 2.297 346 Q HA -0.115 4.225 4.340 0.000 0.000 0.208 346 Q C -0.111 175.934 176.000 0.076 0.000 0.981 346 Q CA 1.523 57.376 55.803 0.082 0.000 0.876 346 Q CB 0.010 28.774 28.738 0.043 0.000 0.921 346 Q HN 0.418 nan 8.270 nan 0.000 0.446 347 N N 0.096 118.843 118.700 0.079 0.000 2.280 347 N HA 0.080 4.820 4.740 0.000 0.000 0.192 347 N C -0.951 174.649 175.510 0.150 0.000 1.109 347 N CA 0.165 53.258 53.050 0.073 0.000 0.855 347 N CB 0.680 39.174 38.487 0.011 0.000 0.974 347 N HN 0.234 nan 8.380 nan 0.000 0.482 348 E N 0.425 120.718 120.200 0.156 0.000 2.207 348 E HA 0.285 4.635 4.350 0.000 0.000 0.270 348 E C -0.277 176.299 176.600 -0.040 0.000 0.927 348 E CA -0.888 55.570 56.400 0.097 0.000 0.799 348 E CB 1.605 31.383 29.700 0.130 0.000 1.172 348 E HN -0.058 nan 8.360 nan 0.000 0.404 349 K N 1.837 122.066 120.400 -0.286 0.000 2.230 349 K HA 0.112 4.432 4.320 0.000 0.000 0.253 349 K C 0.176 176.860 176.600 0.140 0.000 1.008 349 K CA 0.216 56.394 56.287 -0.182 0.000 0.910 349 K CB 0.538 32.692 32.500 -0.577 0.000 0.994 349 K HN 0.532 nan 8.250 nan 0.000 0.495 350 Q N 0.273 120.294 119.800 0.369 0.000 3.105 350 Q HA 0.463 4.803 4.340 0.000 0.000 0.280 350 Q C -0.180 176.108 176.000 0.481 0.000 1.042 350 Q CA -1.135 54.912 55.803 0.407 0.000 0.857 350 Q CB 0.896 29.782 28.738 0.247 0.000 1.468 350 Q HN 0.308 nan 8.270 nan 0.000 0.494 351 I N 1.520 122.221 120.570 0.218 0.000 2.396 351 I HA 0.215 4.385 4.170 0.000 0.000 0.292 351 I C -0.167 176.082 176.117 0.219 0.000 0.999 351 I CA -0.444 60.902 61.300 0.076 0.000 1.310 351 I CB 1.004 38.890 38.000 -0.190 0.000 1.404 351 I HN 0.280 nan 8.210 nan 0.000 0.496 352 V N 5.674 125.773 119.914 0.308 0.000 2.407 352 V HA 0.628 4.748 4.120 0.000 0.000 0.278 352 V C 0.328 176.532 176.094 0.184 0.000 1.037 352 V CA -0.053 62.388 62.300 0.235 0.000 0.900 352 V CB 1.391 33.346 31.823 0.220 0.000 0.983 352 V HN 0.984 nan 8.190 nan 0.000 0.459 353 T N 2.295 116.912 114.554 0.105 0.000 2.693 353 T HA 0.406 4.756 4.350 0.000 0.000 0.304 353 T C -0.428 174.255 174.700 -0.028 0.000 1.471 353 T CA 0.015 62.138 62.100 0.038 0.000 0.993 353 T CB 1.800 70.669 68.868 0.001 0.000 1.554 353 T HN 0.824 nan 8.240 nan 0.000 0.496 354 T N 1.438 115.915 114.554 -0.129 0.000 2.884 354 T HA 0.552 4.902 4.350 0.000 0.000 0.298 354 T C -0.449 174.136 174.700 -0.192 0.000 0.998 354 T CA -0.484 61.446 62.100 -0.283 0.000 1.124 354 T CB 0.835 69.254 68.868 -0.748 0.000 0.931 354 T HN 0.515 nan 8.240 nan 0.000 0.531 355 D N 1.223 121.620 120.400 -0.005 0.000 2.414 355 D HA 0.416 5.056 4.640 0.000 0.000 0.241 355 D C 0.274 176.656 176.300 0.137 0.000 1.008 355 D CA -1.020 52.993 54.000 0.023 0.000 1.001 355 D CB 1.484 42.308 40.800 0.040 0.000 1.277 355 D HN 0.543 nan 8.370 nan 0.000 0.538 356 L N 1.371 122.646 121.223 0.087 0.000 2.492 356 L HA 0.098 4.438 4.340 0.000 0.000 0.280 356 L C 0.893 177.875 176.870 0.187 0.000 1.240 356 L CA 0.299 55.224 54.840 0.143 0.000 0.831 356 L CB 0.154 42.261 42.059 0.079 0.000 1.100 356 L HN 0.674 nan 8.230 nan 0.000 0.505 357 R N 1.397 122.049 120.500 0.254 0.000 3.531 357 R HA -0.206 4.134 4.340 0.000 0.000 0.280 357 R C 0.115 176.428 176.300 0.021 0.000 1.130 357 R CA 0.627 56.807 56.100 0.133 0.000 0.757 357 R CB -1.709 28.654 30.300 0.103 0.000 1.218 357 R HN 0.759 nan 8.270 nan 0.000 0.454 358 Q N -2.130 117.647 119.800 -0.037 0.000 2.461 358 Q HA -0.258 4.082 4.340 0.000 0.000 0.264 358 Q C -0.334 175.544 176.000 -0.204 0.000 1.085 358 Q CA 1.672 57.234 55.803 -0.401 0.000 1.006 358 Q CB -0.710 27.833 28.738 -0.325 0.000 1.437 358 Q HN 0.545 nan 8.270 nan 0.000 0.514 359 K N -0.197 120.251 120.400 0.080 0.000 2.321 359 K HA 0.642 4.962 4.320 0.000 0.000 0.240 359 K C -0.259 176.476 176.600 0.227 0.000 1.034 359 K CA -0.516 55.840 56.287 0.114 0.000 0.957 359 K CB 1.638 34.189 32.500 0.085 0.000 1.224 359 K HN 0.191 nan 8.250 nan 0.000 0.490 360 c N 0.599 119.281 118.600 0.138 0.000 2.482 360 c HA 0.536 5.106 4.570 0.000 0.000 0.317 360 c C -0.218 173.924 174.090 0.088 0.000 1.197 360 c CA -0.131 56.272 56.329 0.122 0.000 1.432 360 c CB 1.038 43.616 42.510 0.113 0.000 2.062 360 c HN 0.775 nan 8.230 nan 0.000 0.471 361 T N 2.697 117.295 114.554 0.073 0.000 2.908 361 T HA 0.506 4.856 4.350 0.000 0.000 0.290 361 T C 0.174 174.935 174.700 0.101 0.000 1.034 361 T CA -0.223 61.922 62.100 0.074 0.000 1.010 361 T CB 1.445 70.343 68.868 0.050 0.000 1.068 361 T HN 0.826 nan 8.240 nan 0.000 0.481 362 E N 1.298 121.569 120.200 0.117 0.000 2.603 362 E HA 0.167 4.517 4.350 0.000 0.000 0.211 362 E C 0.110 176.813 176.600 0.171 0.000 0.995 362 E CA -0.172 56.320 56.400 0.153 0.000 0.990 362 E CB 0.713 30.498 29.700 0.142 0.000 1.036 362 E HN 0.574 nan 8.360 nan 0.000 0.475 363 S N -0.450 115.342 115.700 0.153 0.000 2.668 363 S HA 0.155 4.625 4.470 0.000 0.000 0.244 363 S C -0.332 174.380 174.600 0.187 0.000 1.140 363 S CA -0.641 57.656 58.200 0.162 0.000 1.134 363 S CB -0.319 62.961 63.200 0.133 0.000 0.954 363 S HN 0.267 nan 8.310 nan 0.000 0.490 364 H N 2.063 121.164 119.070 0.050 0.000 2.582 364 H HA 0.483 5.039 4.556 -0.000 0.000 0.345 364 H C 0.318 175.643 175.328 -0.005 0.000 1.104 364 H CA 0.430 56.476 56.048 -0.004 0.000 1.390 364 H CB 0.955 30.689 29.762 -0.048 0.000 1.461 364 H HN 0.600 nan 8.280 nan 0.000 0.551 365 T N 1.332 115.799 114.554 -0.145 0.000 2.804 365 T HA 0.615 4.965 4.350 0.000 0.000 0.290 365 T C 0.318 174.724 174.700 -0.491 0.000 1.099 365 T CA -0.154 61.807 62.100 -0.231 0.000 1.011 365 T CB 1.524 70.357 68.868 -0.059 0.000 1.291 365 T HN 1.008 nan 8.240 nan 0.000 0.523 366 G N 0.361 108.721 108.800 -0.734 0.000 2.828 366 G HA2 -0.117 3.843 3.960 0.000 0.000 0.463 366 G HA3 -0.117 3.843 3.960 0.000 0.000 0.463 366 G C 0.747 175.287 174.900 -0.599 0.000 1.394 366 G CA 0.618 45.029 45.100 -1.149 0.000 0.862 366 G HN 2.026 nan 8.290 nan 0.000 0.540 367 T N -2.346 111.971 114.554 -0.394 0.000 3.025 367 T HA 0.048 4.398 4.350 0.000 0.000 0.270 367 T C 2.315 176.937 174.700 -0.130 0.000 1.126 367 T CA 2.071 64.107 62.100 -0.106 0.000 1.105 367 T CB -0.104 68.771 68.868 0.012 0.000 0.884 367 T HN 0.833 nan 8.240 nan 0.000 0.522 368 S N 1.136 116.726 115.700 -0.184 0.000 2.447 368 S HA 0.231 4.702 4.470 0.000 0.000 0.233 368 S C 2.347 176.807 174.600 -0.234 0.000 1.006 368 S CA 0.673 58.797 58.200 -0.127 0.000 0.957 368 S CB -0.413 62.770 63.200 -0.030 0.000 0.773 368 S HN 0.793 nan 8.310 nan 0.000 0.507 369 A N 0.448 123.024 122.820 -0.407 0.000 2.030 369 A HA 0.160 4.480 4.320 0.000 0.000 0.215 369 A C 2.184 179.647 177.584 -0.202 0.000 1.164 369 A CA 0.802 52.608 52.037 -0.385 0.000 0.697 369 A CB -0.351 18.319 19.000 -0.551 0.000 0.827 369 A HN 0.394 nan 8.150 nan 0.000 0.457 370 S N 0.164 115.772 115.700 -0.154 0.000 2.371 370 S HA 0.047 4.517 4.470 0.000 0.000 0.224 370 S C 2.320 176.886 174.600 -0.056 0.000 1.029 370 S CA 0.984 59.132 58.200 -0.088 0.000 0.978 370 S CB -0.319 62.861 63.200 -0.034 0.000 0.833 370 S HN 0.739 nan 8.310 nan 0.000 0.466 371 A N 2.764 125.554 122.820 -0.049 0.000 1.858 371 A HA -0.035 4.285 4.320 0.000 0.000 0.216 371 A C 0.141 177.710 177.584 -0.026 0.000 1.190 371 A CA 1.504 53.523 52.037 -0.031 0.000 0.617 371 A CB -1.766 17.197 19.000 -0.061 0.000 0.827 371 A HN 0.451 nan 8.150 nan 0.000 0.443 372 P HA -0.133 nan 4.420 nan 0.000 0.217 372 P C 1.581 178.880 177.300 -0.001 0.000 1.150 372 P CA 0.950 64.045 63.100 -0.008 0.000 0.832 372 P CB -0.207 31.494 31.700 0.002 0.000 0.787 373 L N -0.547 120.664 121.223 -0.021 0.000 2.083 373 L HA -0.139 4.201 4.340 0.000 0.000 0.209 373 L C 2.787 179.652 176.870 -0.008 0.000 1.083 373 L CA 1.580 56.413 54.840 -0.011 0.000 0.752 373 L CB -1.094 40.931 42.059 -0.057 0.000 0.899 373 L HN -0.037 nan 8.230 nan 0.000 0.433 374 A N -0.097 122.713 122.820 -0.017 0.000 1.930 374 A HA -0.107 4.213 4.320 0.000 0.000 0.217 374 A C 2.538 180.118 177.584 -0.006 0.000 1.175 374 A CA 1.480 53.508 52.037 -0.015 0.000 0.627 374 A CB -0.602 18.393 19.000 -0.007 0.000 0.815 374 A HN 0.383 nan 8.150 nan 0.000 0.443 375 A N -0.322 122.501 122.820 0.005 0.000 1.902 375 A HA 0.094 4.414 4.320 0.000 0.000 0.217 375 A C 2.392 179.977 177.584 0.003 0.000 1.181 375 A CA 1.978 54.022 52.037 0.011 0.000 0.623 375 A CB -1.368 17.641 19.000 0.016 0.000 0.818 375 A HN 0.700 nan 8.150 nan 0.000 0.443 376 G N 0.032 108.840 108.800 0.013 0.000 2.421 376 G HA2 -0.192 3.768 3.960 0.000 0.000 0.216 376 G HA3 -0.192 3.768 3.960 0.000 0.000 0.216 376 G C 1.514 176.417 174.900 0.005 0.000 1.171 376 G CA 1.100 46.215 45.100 0.025 0.000 0.775 376 G HN 0.479 nan 8.290 nan 0.000 0.543 377 I N 0.541 121.104 120.570 -0.011 0.000 2.361 377 I HA -0.122 4.048 4.170 0.000 0.000 0.251 377 I C 2.553 178.631 176.117 -0.066 0.000 1.133 377 I CA 0.813 62.086 61.300 -0.045 0.000 1.413 377 I CB -0.162 37.802 38.000 -0.060 0.000 1.073 377 I HN 0.166 nan 8.210 nan 0.000 0.424 378 I N 0.595 121.133 120.570 -0.053 0.000 2.546 378 I HA -0.194 3.976 4.170 0.000 0.000 0.255 378 I C 2.739 178.812 176.117 -0.074 0.000 1.163 378 I CA 0.863 62.125 61.300 -0.065 0.000 1.457 378 I CB -0.321 37.660 38.000 -0.032 0.000 1.092 378 I HN 0.157 nan 8.210 nan 0.000 0.434 379 A N 1.163 123.950 122.820 -0.056 0.000 1.898 379 A HA -0.118 4.202 4.320 0.000 0.000 0.216 379 A C 2.264 179.799 177.584 -0.081 0.000 1.181 379 A CA 1.162 53.159 52.037 -0.067 0.000 0.620 379 A CB -0.677 18.299 19.000 -0.040 0.000 0.819 379 A HN 0.350 nan 8.150 nan 0.000 0.442 380 L N -0.620 120.565 121.223 -0.063 0.000 2.046 380 L HA -0.160 4.180 4.340 0.000 0.000 0.208 380 L C 2.725 179.484 176.870 -0.185 0.000 1.077 380 L CA 1.775 56.579 54.840 -0.060 0.000 0.747 380 L CB -1.190 40.855 42.059 -0.023 0.000 0.896 380 L HN 0.337 nan 8.230 nan 0.000 0.432 381 T N 0.348 114.787 114.554 -0.192 0.000 2.788 381 T HA -0.153 4.197 4.350 0.000 0.000 0.268 381 T C 2.020 176.574 174.700 -0.243 0.000 1.044 381 T CA 1.102 63.051 62.100 -0.251 0.000 1.139 381 T CB -0.183 68.563 68.868 -0.203 0.000 0.867 381 T HN 0.199 nan 8.240 nan 0.000 0.454 382 L N 0.593 121.707 121.223 -0.182 0.000 2.093 382 L HA -0.079 4.261 4.340 0.000 0.000 0.208 382 L C 2.822 179.594 176.870 -0.163 0.000 1.085 382 L CA 1.378 56.116 54.840 -0.170 0.000 0.755 382 L CB -0.407 41.539 42.059 -0.188 0.000 0.904 382 L HN 0.386 nan 8.230 nan 0.000 0.435 383 E N 0.345 120.462 120.200 -0.139 0.000 2.077 383 E HA -0.246 4.104 4.350 0.000 0.000 0.193 383 E C 2.107 178.678 176.600 -0.049 0.000 0.989 383 E CA 1.209 57.592 56.400 -0.028 0.000 0.800 383 E CB 0.009 29.782 29.700 0.121 0.000 0.746 383 E HN 0.457 nan 8.360 nan 0.000 0.452 384 A N 0.623 123.210 122.820 -0.389 0.000 2.067 384 A HA -0.107 4.213 4.320 0.000 0.000 0.219 384 A C 1.051 178.506 177.584 -0.215 0.000 1.158 384 A CA 1.140 52.795 52.037 -0.636 0.000 0.661 384 A CB -0.011 18.286 19.000 -1.171 0.000 0.801 384 A HN 0.299 nan 8.150 nan 0.000 0.452 385 N N -0.784 117.825 118.700 -0.152 0.000 2.969 385 N HA 0.085 4.825 4.740 0.000 0.000 0.230 385 N C -0.100 175.380 175.510 -0.051 0.000 1.397 385 N CA -0.359 52.654 53.050 -0.062 0.000 0.762 385 N CB 0.566 39.028 38.487 -0.041 0.000 1.495 385 N HN -0.020 nan 8.380 nan 0.000 0.583 386 K N 0.646 121.026 120.400 -0.034 0.000 2.442 386 K HA 0.047 4.367 4.320 0.000 0.000 0.198 386 K C 0.302 176.906 176.600 0.006 0.000 1.044 386 K CA 0.547 56.812 56.287 -0.037 0.000 0.948 386 K CB 0.173 32.659 32.500 -0.023 0.000 0.762 386 K HN 0.410 nan 8.250 nan 0.000 0.472 387 N N 0.696 119.414 118.700 0.028 0.000 2.270 387 N HA 0.072 4.812 4.740 0.000 0.000 0.198 387 N C 0.146 175.704 175.510 0.079 0.000 1.117 387 N CA 0.041 53.126 53.050 0.059 0.000 0.845 387 N CB 0.180 38.705 38.487 0.063 0.000 0.980 387 N HN 0.128 nan 8.380 nan 0.000 0.486 388 L N 1.265 122.522 121.223 0.056 0.000 2.453 388 L HA 0.070 4.410 4.340 0.000 0.000 0.272 388 L C 1.334 178.254 176.870 0.083 0.000 1.182 388 L CA -0.071 54.803 54.840 0.056 0.000 0.858 388 L CB 0.280 42.314 42.059 -0.042 0.000 1.120 388 L HN 0.097 nan 8.230 nan 0.000 0.474 389 T N -1.111 113.506 114.554 0.104 0.000 2.847 389 T HA 0.077 4.427 4.350 0.000 0.000 0.279 389 T C 1.271 176.055 174.700 0.141 0.000 0.984 389 T CA -0.674 61.509 62.100 0.139 0.000 0.988 389 T CB 0.865 69.792 68.868 0.098 0.000 1.040 389 T HN 0.763 nan 8.240 nan 0.000 0.528 390 W N 0.994 122.369 121.300 0.124 0.000 2.350 390 W HA -0.102 4.558 4.660 0.000 0.000 0.289 390 W C 1.579 178.200 176.519 0.171 0.000 1.215 390 W CA 0.658 58.082 57.345 0.131 0.000 1.236 390 W CB -0.938 28.617 29.460 0.158 0.000 1.130 390 W HN 0.649 nan 8.180 nan 0.000 0.541 391 R N 0.574 120.706 120.500 -0.614 0.000 2.075 391 R HA -0.091 4.249 4.340 0.000 0.000 0.226 391 R C 1.882 178.209 176.300 0.044 0.000 1.114 391 R CA 1.460 57.281 56.100 -0.466 0.000 0.972 391 R CB -0.499 29.436 30.300 -0.607 0.000 0.869 391 R HN -0.003 nan 8.270 nan 0.000 0.437 392 D N 0.925 121.354 120.400 0.048 0.000 2.116 392 D HA -0.215 4.425 4.640 0.000 0.000 0.193 392 D C 1.748 177.935 176.300 -0.189 0.000 0.998 392 D CA 1.387 55.413 54.000 0.043 0.000 0.836 392 D CB -0.095 40.727 40.800 0.035 0.000 0.951 392 D HN 0.016 nan 8.370 nan 0.000 0.449 393 M N 0.792 120.317 119.600 -0.125 0.000 2.108 393 M HA -0.176 4.304 4.480 0.000 0.000 0.261 393 M C 1.935 178.134 176.300 -0.168 0.000 1.066 393 M CA 1.569 56.777 55.300 -0.154 0.000 1.107 393 M CB -0.276 32.303 32.600 -0.034 0.000 1.356 393 M HN -0.030 nan 8.290 nan 0.000 0.406 394 Q N -1.529 118.212 119.800 -0.099 0.000 2.119 394 Q HA -0.184 4.156 4.340 0.000 0.000 0.201 394 Q C 2.136 177.876 176.000 -0.433 0.000 0.972 394 Q CA 1.330 56.994 55.803 -0.231 0.000 0.847 394 Q CB -0.346 28.324 28.738 -0.115 0.000 0.903 394 Q HN 0.660 nan 8.270 nan 0.000 0.433 395 H N 0.516 119.477 119.070 -0.182 0.000 2.353 395 H HA -0.100 4.456 4.556 0.000 0.000 0.300 395 H C 2.225 177.306 175.328 -0.412 0.000 1.090 395 H CA 1.189 57.152 56.048 -0.142 0.000 1.327 395 H CB -0.006 29.827 29.762 0.119 0.000 1.383 395 H HN 0.238 nan 8.280 nan 0.000 0.508 396 L N 0.069 121.017 121.223 -0.458 0.000 2.046 396 L HA -0.153 4.187 4.340 0.000 0.000 0.208 396 L C 2.710 179.376 176.870 -0.341 0.000 1.077 396 L CA 0.690 55.236 54.840 -0.490 0.000 0.747 396 L CB -0.439 41.300 42.059 -0.533 0.000 0.896 396 L HN 0.062 nan 8.230 nan 0.000 0.432 397 V N -0.691 119.021 119.914 -0.336 0.000 2.358 397 V HA -0.222 3.898 4.120 0.000 0.000 0.246 397 V C 2.435 178.312 176.094 -0.363 0.000 1.047 397 V CA 1.372 63.498 62.300 -0.291 0.000 1.035 397 V CB -0.190 31.482 31.823 -0.252 0.000 0.658 397 V HN 0.195 nan 8.190 nan 0.000 0.452 398 V N -0.388 119.174 119.914 -0.586 0.000 2.343 398 V HA -0.292 3.828 4.120 0.000 0.000 0.247 398 V C 2.403 178.161 176.094 -0.559 0.000 1.051 398 V CA 1.982 63.752 62.300 -0.883 0.000 1.036 398 V CB -0.669 30.308 31.823 -1.411 0.000 0.654 398 V HN 0.585 nan 8.190 nan 0.000 0.451 399 Q N -0.088 119.509 119.800 -0.337 0.000 2.245 399 Q HA -0.113 4.227 4.340 0.000 0.000 0.201 399 Q C 2.227 178.153 176.000 -0.122 0.000 0.955 399 Q CA 1.823 57.528 55.803 -0.164 0.000 0.870 399 Q CB -0.111 28.602 28.738 -0.043 0.000 0.945 399 Q HN 0.840 nan 8.270 nan 0.000 0.461 400 T N -3.308 111.159 114.554 -0.146 0.000 3.022 400 T HA 0.165 4.515 4.350 0.000 0.000 0.250 400 T C 0.896 175.540 174.700 -0.092 0.000 1.060 400 T CA -0.335 61.701 62.100 -0.107 0.000 1.013 400 T CB 0.347 69.146 68.868 -0.116 0.000 0.982 400 T HN -0.145 nan 8.240 nan 0.000 0.508 401 S N 2.617 118.260 115.700 -0.095 0.000 2.549 401 S HA 0.307 4.777 4.470 0.000 0.000 0.283 401 S C -0.002 174.576 174.600 -0.037 0.000 1.320 401 S CA -0.419 57.748 58.200 -0.054 0.000 1.058 401 S CB 0.373 63.564 63.200 -0.015 0.000 0.882 401 S HN 0.256 nan 8.310 nan 0.000 0.498 402 K N 4.290 124.657 120.400 -0.055 0.000 2.213 402 K HA 0.279 4.599 4.320 0.000 0.000 0.270 402 K C -1.882 174.641 176.600 -0.129 0.000 1.002 402 K CA -2.441 53.793 56.287 -0.088 0.000 0.868 402 K CB 1.192 33.651 32.500 -0.069 0.000 1.093 402 K HN 0.302 nan 8.250 nan 0.000 0.454 403 P HA -0.025 nan 4.420 nan 0.000 0.235 403 P C 0.157 177.165 177.300 -0.485 0.000 1.177 403 P CA 0.201 62.990 63.100 -0.517 0.000 0.785 403 P CB 0.337 31.314 31.700 -1.206 0.000 0.885 404 A N 0.843 123.425 122.820 -0.396 0.000 2.565 404 A HA -0.035 4.285 4.320 0.000 0.000 0.237 404 A C 0.269 177.655 177.584 -0.330 0.000 1.053 404 A CA 0.756 52.511 52.037 -0.470 0.000 0.755 404 A CB -1.330 17.377 19.000 -0.487 0.000 0.980 404 A HN 0.445 nan 8.150 nan 0.000 0.506 405 H N -1.806 117.224 119.070 -0.065 0.000 3.237 405 H HA -0.156 4.400 4.556 0.000 0.000 0.231 405 H C -0.680 174.670 175.328 0.037 0.000 1.148 405 H CA 0.829 56.885 56.048 0.014 0.000 1.155 405 H CB -1.702 28.087 29.762 0.045 0.000 1.210 405 H HN 0.398 nan 8.280 nan 0.000 0.317 406 L N 2.445 123.697 121.223 0.047 0.000 2.294 406 L HA 0.328 4.668 4.340 0.000 0.000 0.283 406 L C -0.095 176.973 176.870 0.329 0.000 1.015 406 L CA -0.382 54.462 54.840 0.007 0.000 0.831 406 L CB 0.956 42.830 42.059 -0.308 0.000 1.217 406 L HN 0.187 nan 8.230 nan 0.000 0.420 407 N N 3.649 122.559 118.700 0.350 0.000 2.488 407 N HA 0.716 5.456 4.740 0.000 0.000 0.274 407 N C -0.432 175.361 175.510 0.470 0.000 1.111 407 N CA -0.162 53.131 53.050 0.404 0.000 0.974 407 N CB 1.991 40.637 38.487 0.265 0.000 1.089 407 N HN 0.630 nan 8.380 nan 0.000 0.465 408 A N 1.002 124.044 122.820 0.370 0.000 2.612 408 A HA 0.344 4.664 4.320 0.000 0.000 0.293 408 A C -0.623 177.000 177.584 0.066 0.000 1.075 408 A CA -0.646 51.437 52.037 0.078 0.000 0.680 408 A CB 1.148 19.983 19.000 -0.276 0.000 1.279 408 A HN 0.435 nan 8.150 nan 0.000 0.411 409 D N 0.615 121.008 120.400 -0.012 0.000 2.328 409 D HA 0.082 4.722 4.640 0.000 0.000 0.221 409 D C 0.186 176.486 176.300 0.001 0.000 1.072 409 D CA 1.018 55.031 54.000 0.022 0.000 0.850 409 D CB 0.495 41.300 40.800 0.007 0.000 0.922 409 D HN 0.610 nan 8.370 nan 0.000 0.516 410 D N -1.347 119.008 120.400 -0.074 0.000 2.599 410 D HA -0.064 4.576 4.640 0.000 0.000 0.249 410 D C -0.201 176.089 176.300 -0.016 0.000 1.313 410 D CA -0.617 53.357 54.000 -0.044 0.000 0.815 410 D CB -1.014 39.751 40.800 -0.059 0.000 1.077 410 D HN 0.024 nan 8.370 nan 0.000 0.492 411 W N 1.640 122.974 121.300 0.057 0.000 2.397 411 W HA 0.425 5.085 4.660 0.000 0.000 0.327 411 W C 0.491 177.023 176.519 0.020 0.000 1.421 411 W CA -0.220 57.144 57.345 0.032 0.000 1.288 411 W CB 0.835 30.311 29.460 0.027 0.000 1.312 411 W HN 0.100 nan 8.180 nan 0.000 0.559 412 A N 2.904 125.895 122.820 0.285 0.000 2.414 412 A HA 0.706 5.026 4.320 0.000 0.000 0.306 412 A C -0.606 177.058 177.584 0.134 0.000 1.054 412 A CA -0.749 51.390 52.037 0.170 0.000 0.724 412 A CB 1.154 20.236 19.000 0.137 0.000 1.267 412 A HN 0.309 nan 8.150 nan 0.000 0.418 413 T N 2.933 117.543 114.554 0.093 0.000 2.806 413 T HA 0.400 4.750 4.350 0.000 0.000 0.290 413 T C 0.567 175.305 174.700 0.063 0.000 0.966 413 T CA -0.401 61.740 62.100 0.068 0.000 1.060 413 T CB 0.397 69.292 68.868 0.046 0.000 0.927 413 T HN 0.859 nan 8.240 nan 0.000 0.485 414 N N 1.779 120.522 118.700 0.071 0.000 2.418 414 N HA 0.295 5.035 4.740 0.000 0.000 0.283 414 N C 1.678 177.226 175.510 0.064 0.000 1.267 414 N CA -0.416 52.680 53.050 0.077 0.000 0.975 414 N CB -0.303 38.253 38.487 0.115 0.000 1.167 414 N HN 0.494 nan 8.380 nan 0.000 0.581 415 G N -1.636 107.196 108.800 0.054 0.000 2.527 415 G HA2 -0.137 3.823 3.960 0.000 0.000 0.219 415 G HA3 -0.137 3.823 3.960 0.000 0.000 0.219 415 G C 0.779 175.704 174.900 0.043 0.000 1.117 415 G CA 1.202 46.321 45.100 0.032 0.000 0.759 415 G HN 0.705 nan 8.290 nan 0.000 0.556 416 V N -3.672 116.284 119.914 0.070 0.000 3.214 416 V HA 0.655 4.775 4.120 0.000 0.000 0.330 416 V C 1.389 177.522 176.094 0.064 0.000 1.403 416 V CA 0.268 62.608 62.300 0.068 0.000 1.143 416 V CB -0.321 31.557 31.823 0.092 0.000 1.098 416 V HN 0.904 nan 8.190 nan 0.000 0.463 417 G N 0.959 109.794 108.800 0.057 0.000 2.159 417 G HA2 -0.261 3.699 3.960 0.000 0.000 0.256 417 G HA3 -0.261 3.699 3.960 0.000 0.000 0.256 417 G C 0.321 175.253 174.900 0.053 0.000 0.977 417 G CA 0.406 45.532 45.100 0.044 0.000 0.652 417 G HN 0.639 nan 8.290 nan 0.000 0.531 418 R N 0.282 120.839 120.500 0.094 0.000 2.428 418 R HA 0.470 4.810 4.340 0.000 0.000 0.294 418 R C 0.167 176.532 176.300 0.110 0.000 1.000 418 R CA -0.597 55.576 56.100 0.122 0.000 0.960 418 R CB 0.935 31.369 30.300 0.223 0.000 1.076 418 R HN 0.151 nan 8.270 nan 0.000 0.475 419 K N 1.926 122.368 120.400 0.070 0.000 2.276 419 K HA 0.307 4.627 4.320 0.000 0.000 0.283 419 K C -0.630 176.072 176.600 0.171 0.000 1.044 419 K CA -0.330 56.009 56.287 0.086 0.000 0.944 419 K CB 1.279 33.717 32.500 -0.103 0.000 1.012 419 K HN 0.228 nan 8.250 nan 0.000 0.472 420 V N 0.713 120.705 119.914 0.129 0.000 2.876 420 V HA 0.470 4.590 4.120 0.000 0.000 0.312 420 V C -0.597 175.341 176.094 -0.260 0.000 1.085 420 V CA -0.976 61.164 62.300 -0.266 0.000 0.945 420 V CB 1.897 33.122 31.823 -0.998 0.000 1.017 420 V HN 0.785 nan 8.190 nan 0.000 0.428 421 S N -0.093 115.241 115.700 -0.610 0.000 2.536 421 S HA 0.552 5.022 4.470 0.000 0.000 0.287 421 S C 0.104 174.469 174.600 -0.392 0.000 1.101 421 S CA -0.474 57.317 58.200 -0.681 0.000 0.950 421 S CB 1.400 63.709 63.200 -1.485 0.000 1.056 421 S HN 0.807 nan 8.310 nan 0.000 0.481 422 H N 2.118 121.069 119.070 -0.198 0.000 2.546 422 H HA 0.212 4.768 4.556 0.000 0.000 0.277 422 H C 1.658 176.847 175.328 -0.232 0.000 1.004 422 H CA 1.310 57.297 56.048 -0.101 0.000 1.231 422 H CB 0.325 30.025 29.762 -0.103 0.000 1.382 422 H HN 0.419 nan 8.280 nan 0.000 0.580 423 S N -1.151 114.336 115.700 -0.354 0.000 2.483 423 S HA 0.079 4.549 4.470 0.000 0.000 0.221 423 S C 0.578 174.827 174.600 -0.585 0.000 1.030 423 S CA 0.215 58.073 58.200 -0.569 0.000 0.925 423 S CB 0.340 62.971 63.200 -0.949 0.000 0.795 423 S HN 0.507 nan 8.310 nan 0.000 0.511 424 Y N 0.582 120.726 120.300 -0.260 0.000 2.563 424 Y HA 0.377 4.927 4.550 0.000 0.000 0.250 424 Y C 1.604 177.421 175.900 -0.137 0.000 1.126 424 Y CA -0.258 57.739 58.100 -0.173 0.000 1.231 424 Y CB 0.461 38.840 38.460 -0.135 0.000 1.288 424 Y HN 0.305 nan 8.280 nan 0.000 0.537 425 G N 1.164 109.906 108.800 -0.097 0.000 2.556 425 G HA2 -0.407 3.553 3.960 0.000 0.000 0.283 425 G HA3 -0.407 3.553 3.960 0.000 0.000 0.283 425 G C 0.219 174.974 174.900 -0.241 0.000 1.177 425 G CA 0.825 45.823 45.100 -0.170 0.000 0.978 425 G HN 0.347 nan 8.290 nan 0.000 0.554 426 Y N 2.886 123.167 120.300 -0.032 0.000 2.490 426 Y HA 0.417 4.967 4.550 0.000 0.000 0.281 426 Y C 1.857 177.833 175.900 0.127 0.000 1.174 426 Y CA 1.780 59.893 58.100 0.021 0.000 1.295 426 Y CB 0.117 38.512 38.460 -0.109 0.000 1.062 426 Y HN 1.596 nan 8.280 nan 0.000 0.522 427 G N -0.175 108.791 108.800 0.276 0.000 2.331 427 G HA2 -0.094 3.866 3.960 0.000 0.000 0.479 427 G HA3 -0.094 3.866 3.960 0.000 0.000 0.479 427 G C -1.732 173.186 174.900 0.030 0.000 1.262 427 G CA -1.061 44.164 45.100 0.209 0.000 1.029 427 G HN -0.016 nan 8.290 nan 0.000 0.487 428 L N 0.634 121.813 121.223 -0.074 0.000 2.416 428 L HA 0.616 4.956 4.340 0.000 0.000 0.272 428 L C 0.927 177.737 176.870 -0.100 0.000 1.161 428 L CA -0.362 54.388 54.840 -0.150 0.000 0.845 428 L CB 0.561 42.482 42.059 -0.229 0.000 1.119 428 L HN 0.546 nan 8.230 nan 0.000 0.464 429 L N 3.962 125.124 121.223 -0.102 0.000 2.456 429 L HA 0.140 4.480 4.340 0.000 0.000 0.272 429 L C -0.155 176.665 176.870 -0.083 0.000 1.189 429 L CA 0.172 54.960 54.840 -0.086 0.000 0.846 429 L CB 0.377 42.387 42.059 -0.081 0.000 1.111 429 L HN 0.628 nan 8.230 nan 0.000 0.475 430 D N 1.897 122.247 120.400 -0.084 0.000 2.446 430 D HA 0.331 4.971 4.640 0.000 0.000 0.251 430 D C 0.616 176.859 176.300 -0.095 0.000 1.137 430 D CA -0.284 53.669 54.000 -0.078 0.000 0.890 430 D CB 1.764 42.524 40.800 -0.066 0.000 1.071 430 D HN 0.543 nan 8.370 nan 0.000 0.528 431 A N 3.095 125.850 122.820 -0.109 0.000 1.903 431 A HA -0.117 4.203 4.320 0.000 0.000 0.219 431 A C 2.042 179.555 177.584 -0.118 0.000 1.191 431 A CA 2.175 54.134 52.037 -0.130 0.000 0.638 431 A CB -0.980 17.915 19.000 -0.176 0.000 0.823 431 A HN 0.588 nan 8.150 nan 0.000 0.451 432 G N -0.773 107.964 108.800 -0.105 0.000 2.459 432 G HA2 -0.044 3.916 3.960 0.000 0.000 0.217 432 G HA3 -0.044 3.916 3.960 0.000 0.000 0.217 432 G C 1.794 176.656 174.900 -0.062 0.000 1.183 432 G CA 1.773 46.830 45.100 -0.072 0.000 0.776 432 G HN 0.918 nan 8.290 nan 0.000 0.552 433 A N 0.311 123.092 122.820 -0.066 0.000 1.902 433 A HA 0.027 4.347 4.320 0.000 0.000 0.217 433 A C 2.470 180.001 177.584 -0.087 0.000 1.181 433 A CA 1.966 53.966 52.037 -0.062 0.000 0.623 433 A CB -0.364 18.600 19.000 -0.060 0.000 0.818 433 A HN 0.299 nan 8.150 nan 0.000 0.443 434 M N -0.592 118.939 119.600 -0.116 0.000 2.082 434 M HA -0.142 4.338 4.480 0.000 0.000 0.258 434 M C 2.279 178.474 176.300 -0.176 0.000 1.071 434 M CA 1.505 56.712 55.300 -0.155 0.000 1.103 434 M CB -1.277 31.228 32.600 -0.159 0.000 1.307 434 M HN 0.252 nan 8.290 nan 0.000 0.409 435 V N 0.418 120.222 119.914 -0.183 0.000 2.332 435 V HA -0.273 3.847 4.120 0.000 0.000 0.248 435 V C 2.653 178.635 176.094 -0.186 0.000 1.055 435 V CA 1.933 64.072 62.300 -0.268 0.000 1.038 435 V CB -1.116 30.558 31.823 -0.249 0.000 0.651 435 V HN 0.534 nan 8.190 nan 0.000 0.450 436 A N -0.543 122.226 122.820 -0.084 0.000 1.877 436 A HA -0.190 4.130 4.320 0.000 0.000 0.216 436 A C 2.118 179.694 177.584 -0.013 0.000 1.186 436 A CA 2.055 54.078 52.037 -0.024 0.000 0.620 436 A CB -0.585 18.413 19.000 -0.003 0.000 0.822 436 A HN 0.453 nan 8.150 nan 0.000 0.443 437 L N -0.460 120.748 121.223 -0.023 0.000 2.201 437 L HA 0.050 4.390 4.340 0.000 0.000 0.212 437 L C 2.592 179.500 176.870 0.063 0.000 1.105 437 L CA 1.763 56.625 54.840 0.037 0.000 0.775 437 L CB -0.649 41.415 42.059 0.008 0.000 0.913 437 L HN 0.344 nan 8.230 nan 0.000 0.440 438 A N -1.074 121.711 122.820 -0.059 0.000 1.898 438 A HA -0.222 4.098 4.320 0.000 0.000 0.216 438 A C 2.099 179.696 177.584 0.022 0.000 1.181 438 A CA 1.538 53.532 52.037 -0.071 0.000 0.620 438 A CB -0.467 18.415 19.000 -0.197 0.000 0.819 438 A HN 0.626 nan 8.150 nan 0.000 0.442 439 Q N -0.276 119.514 119.800 -0.016 0.000 2.096 439 Q HA -0.177 4.163 4.340 0.000 0.000 0.208 439 Q C 0.463 176.504 176.000 0.069 0.000 0.993 439 Q CA 1.410 57.225 55.803 0.021 0.000 0.862 439 Q CB -0.310 28.449 28.738 0.034 0.000 0.915 439 Q HN 0.571 nan 8.270 nan 0.000 0.416 440 N N -0.769 117.986 118.700 0.091 0.000 2.321 440 N HA 0.017 4.757 4.740 0.000 0.000 0.242 440 N C -1.012 174.554 175.510 0.093 0.000 1.141 440 N CA -0.101 52.994 53.050 0.075 0.000 0.864 440 N CB 0.208 38.720 38.487 0.042 0.000 1.100 440 N HN 0.299 nan 8.380 nan 0.000 0.510 441 W N 2.098 123.373 121.300 -0.041 0.000 2.303 441 W HA 0.099 4.759 4.660 0.000 0.000 0.318 441 W C -0.692 175.801 176.519 -0.044 0.000 1.362 441 W CA 0.408 57.725 57.345 -0.046 0.000 1.234 441 W CB 0.621 30.050 29.460 -0.051 0.000 1.248 441 W HN -0.129 nan 8.180 nan 0.000 0.546 442 T N 5.037 119.134 114.554 -0.762 0.000 2.743 442 T HA 0.016 4.366 4.350 0.000 0.000 0.293 442 T C 0.379 174.701 174.700 -0.630 0.000 0.945 442 T CA -0.085 61.703 62.100 -0.521 0.000 1.030 442 T CB 1.149 69.751 68.868 -0.442 0.000 0.912 442 T HN 0.383 nan 8.240 nan 0.000 0.483 443 T N 3.631 118.080 114.554 -0.175 0.000 2.933 443 T HA 0.136 4.486 4.350 0.000 0.000 0.306 443 T C 0.834 175.484 174.700 -0.084 0.000 1.045 443 T CA -0.474 61.638 62.100 0.020 0.000 1.143 443 T CB -0.139 68.772 68.868 0.071 0.000 1.003 443 T HN 0.517 nan 8.240 nan 0.000 0.540 444 V N 3.668 123.581 119.914 -0.002 0.000 3.096 444 V HA 0.631 4.751 4.120 0.000 0.000 0.306 444 V C 0.901 176.957 176.094 -0.064 0.000 1.088 444 V CA -0.762 61.479 62.300 -0.099 0.000 1.129 444 V CB -0.427 31.322 31.823 -0.123 0.000 1.014 444 V HN 1.114 nan 8.190 nan 0.000 0.486 445 A N 4.132 126.903 122.820 -0.082 0.000 2.429 445 A HA 0.522 4.842 4.320 0.000 0.000 0.242 445 A C -1.827 175.750 177.584 -0.011 0.000 1.088 445 A CA -0.922 51.087 52.037 -0.046 0.000 0.784 445 A CB -1.150 17.818 19.000 -0.054 0.000 1.038 445 A HN 0.941 nan 8.150 nan 0.000 0.501 446 P HA 0.030 nan 4.420 nan 0.000 0.265 446 P C -0.491 176.838 177.300 0.049 0.000 1.187 446 P CA 0.090 63.216 63.100 0.043 0.000 0.766 446 P CB 0.328 32.055 31.700 0.045 0.000 0.820 447 Q N 3.538 123.392 119.800 0.090 0.000 2.296 447 Q HA 0.086 4.426 4.340 0.000 0.000 0.262 447 Q C -0.344 175.727 176.000 0.118 0.000 0.981 447 Q CA -0.261 55.611 55.803 0.116 0.000 0.905 447 Q CB 0.437 29.293 28.738 0.196 0.000 1.186 447 Q HN 0.290 nan 8.270 nan 0.000 0.399 448 R N 3.466 124.009 120.500 0.072 0.000 2.598 448 R HA 0.424 4.764 4.340 0.000 0.000 0.279 448 R C -0.640 175.653 176.300 -0.011 0.000 0.984 448 R CA -0.566 55.551 56.100 0.028 0.000 0.999 448 R CB 1.172 31.462 30.300 -0.016 0.000 1.114 448 R HN 0.537 nan 8.270 nan 0.000 0.493 449 K N 1.162 121.507 120.400 -0.092 0.000 2.604 449 K HA 0.222 4.542 4.320 0.000 0.000 0.247 449 K C -1.490 174.958 176.600 -0.253 0.000 0.956 449 K CA -0.408 55.695 56.287 -0.307 0.000 0.896 449 K CB 1.331 33.655 32.500 -0.294 0.000 1.131 449 K HN 0.624 nan 8.250 nan 0.000 0.440 450 c N 7.166 125.598 118.600 -0.279 0.000 2.264 450 c HA 0.556 5.126 4.570 0.000 0.000 0.324 450 c C -0.173 173.772 174.090 -0.240 0.000 1.267 450 c CA -0.729 55.481 56.329 -0.198 0.000 1.618 450 c CB -0.793 41.633 42.510 -0.140 0.000 2.278 450 c HN 0.798 nan 8.230 nan 0.000 0.499 451 I N 6.620 127.073 120.570 -0.196 0.000 2.321 451 I HA 0.455 4.625 4.170 0.000 0.000 0.291 451 I C -0.117 175.895 176.117 -0.176 0.000 0.998 451 I CA -0.153 61.030 61.300 -0.194 0.000 1.227 451 I CB 1.453 39.362 38.000 -0.152 0.000 1.368 451 I HN 0.461 nan 8.210 nan 0.000 0.466 452 V N 6.332 126.114 119.914 -0.219 0.000 2.525 452 V HA 0.377 4.497 4.120 0.000 0.000 0.299 452 V C -0.415 175.522 176.094 -0.260 0.000 1.034 452 V CA -0.379 61.791 62.300 -0.218 0.000 0.863 452 V CB 1.853 33.537 31.823 -0.231 0.000 0.999 452 V HN 0.758 nan 8.190 nan 0.000 0.423 453 E N 6.722 126.805 120.200 -0.195 0.000 2.166 453 E HA 0.229 4.579 4.350 0.000 0.000 0.279 453 E C 0.533 177.000 176.600 -0.223 0.000 1.095 453 E CA -0.428 55.859 56.400 -0.189 0.000 0.888 453 E CB 1.247 30.883 29.700 -0.107 0.000 1.041 453 E HN 0.641 nan 8.360 nan 0.000 0.414 454 I N 2.922 123.279 120.570 -0.355 0.000 2.406 454 I HA -0.019 4.151 4.170 0.000 0.000 0.249 454 I C 0.674 176.727 176.117 -0.107 0.000 1.122 454 I CA 0.969 62.070 61.300 -0.332 0.000 1.431 454 I CB -0.982 36.571 38.000 -0.746 0.000 1.087 454 I HN 0.435 nan 8.210 nan 0.000 0.424 455 L N -3.267 117.926 121.223 -0.049 0.000 2.672 455 L HA 0.511 4.851 4.340 0.000 0.000 0.256 455 L C -0.532 176.361 176.870 0.039 0.000 0.946 455 L CA -0.356 54.500 54.840 0.027 0.000 0.889 455 L CB 2.263 44.376 42.059 0.090 0.000 1.441 455 L HN -0.365 nan 8.230 nan 0.000 0.418 456 V N 0.408 120.342 119.914 0.034 0.000 3.440 456 V HA 0.385 4.505 4.120 0.000 0.000 0.301 456 V C -0.563 175.555 176.094 0.040 0.000 1.555 456 V CA 0.253 62.575 62.300 0.036 0.000 1.095 456 V CB 0.556 32.389 31.823 0.018 0.000 0.936 456 V HN 0.927 nan 8.190 nan 0.000 0.452 457 E N 1.825 122.050 120.200 0.043 0.000 2.063 457 E HA 0.466 4.816 4.350 0.000 0.000 0.265 457 E C -2.629 174.003 176.600 0.053 0.000 0.919 457 E CA -2.183 54.242 56.400 0.042 0.000 0.756 457 E CB 0.525 30.246 29.700 0.035 0.000 1.120 457 E HN 0.206 nan 8.360 nan 0.000 0.414 458 P HA -0.133 nan 4.420 nan 0.000 0.265 458 P C -0.719 176.619 177.300 0.063 0.000 1.167 458 P CA 0.435 63.573 63.100 0.064 0.000 0.760 458 P CB 0.487 32.223 31.700 0.060 0.000 0.783 459 K N 1.726 122.168 120.400 0.071 0.000 2.513 459 K HA 0.240 4.560 4.320 0.000 0.000 0.251 459 K C -1.056 175.589 176.600 0.075 0.000 0.939 459 K CA -0.850 55.478 56.287 0.067 0.000 0.793 459 K CB 1.930 34.469 32.500 0.066 0.000 1.241 459 K HN 0.381 nan 8.250 nan 0.000 0.431 460 D N 2.425 122.869 120.400 0.074 0.000 2.425 460 D HA 0.070 4.710 4.640 0.000 0.000 0.247 460 D C 0.771 177.128 176.300 0.095 0.000 1.147 460 D CA 0.195 54.249 54.000 0.090 0.000 0.879 460 D CB 0.715 41.563 40.800 0.079 0.000 1.179 460 D HN 0.405 nan 8.370 nan 0.000 0.456 461 I N 2.832 123.482 120.570 0.132 0.000 2.385 461 I HA 0.139 4.309 4.170 0.000 0.000 0.244 461 I C 1.985 178.192 176.117 0.149 0.000 1.089 461 I CA 0.641 62.017 61.300 0.126 0.000 1.410 461 I CB -0.847 37.247 38.000 0.158 0.000 1.117 461 I HN 0.759 nan 8.210 nan 0.000 0.429 462 G N 1.662 110.590 108.800 0.213 0.000 2.622 462 G HA2 -0.471 3.489 3.960 0.000 0.000 0.307 462 G HA3 -0.471 3.489 3.960 0.000 0.000 0.307 462 G C 0.933 175.946 174.900 0.189 0.000 1.226 462 G CA 1.102 46.310 45.100 0.181 0.000 0.997 462 G HN 0.288 nan 8.290 nan 0.000 0.551 463 K N 1.502 121.972 120.400 0.117 0.000 2.116 463 K HA 0.116 4.436 4.320 0.000 0.000 0.203 463 K C 1.312 177.948 176.600 0.061 0.000 1.052 463 K CA 1.960 58.303 56.287 0.093 0.000 0.952 463 K CB -0.043 32.493 32.500 0.060 0.000 0.729 463 K HN 0.987 nan 8.250 nan 0.000 0.446 464 R N -0.747 119.780 120.500 0.044 0.000 2.634 464 R HA 0.478 4.818 4.340 0.000 0.000 0.263 464 R C -1.947 174.361 176.300 0.013 0.000 1.060 464 R CA -1.018 55.090 56.100 0.012 0.000 0.898 464 R CB 0.574 30.874 30.300 0.000 0.000 1.253 464 R HN 0.013 nan 8.270 nan 0.000 0.461 465 L N 0.564 121.783 121.223 -0.007 0.000 2.431 465 L HA 0.558 4.898 4.340 0.000 0.000 0.266 465 L C -1.393 175.469 176.870 -0.014 0.000 0.978 465 L CA -0.265 54.574 54.840 -0.001 0.000 0.822 465 L CB 2.381 44.441 42.059 0.001 0.000 1.310 465 L HN 0.909 nan 8.230 nan 0.000 0.409 466 E N 3.525 123.727 120.200 0.003 0.000 2.224 466 E HA 0.653 5.003 4.350 0.000 0.000 0.265 466 E C -1.930 174.691 176.600 0.035 0.000 0.878 466 E CA -0.726 55.680 56.400 0.009 0.000 0.759 466 E CB 2.030 31.736 29.700 0.010 0.000 1.164 466 E HN 0.532 nan 8.360 nan 0.000 0.414 467 V N 5.257 125.204 119.914 0.055 0.000 2.409 467 V HA 0.488 4.608 4.120 0.000 0.000 0.291 467 V C -0.262 175.925 176.094 0.155 0.000 1.020 467 V CA -0.682 61.687 62.300 0.114 0.000 0.848 467 V CB 1.505 33.430 31.823 0.169 0.000 0.990 467 V HN 0.653 nan 8.190 nan 0.000 0.430 468 R N 3.329 123.907 120.500 0.130 0.000 2.514 468 R HA 0.809 5.149 4.340 0.000 0.000 0.301 468 R C -0.957 175.421 176.300 0.130 0.000 0.962 468 R CA -0.997 55.184 56.100 0.134 0.000 0.882 468 R CB 2.219 32.571 30.300 0.087 0.000 1.143 468 R HN 0.490 nan 8.270 nan 0.000 0.452 469 K N 1.189 121.681 120.400 0.153 0.000 2.535 469 K HA 0.441 4.761 4.320 0.000 0.000 0.251 469 K C -1.613 175.067 176.600 0.134 0.000 0.942 469 K CA -0.428 55.926 56.287 0.111 0.000 0.798 469 K CB 2.172 34.711 32.500 0.065 0.000 1.267 469 K HN 0.701 nan 8.250 nan 0.000 0.434 470 A N 3.140 126.014 122.820 0.091 0.000 2.362 470 A HA 0.561 4.881 4.320 0.000 0.000 0.276 470 A C -0.735 176.908 177.584 0.098 0.000 1.153 470 A CA -0.407 51.688 52.037 0.097 0.000 0.813 470 A CB 0.357 19.393 19.000 0.059 0.000 1.081 470 A HN 0.393 nan 8.150 nan 0.000 0.507 471 V N 2.920 122.929 119.914 0.159 0.000 2.495 471 V HA 0.364 4.484 4.120 0.000 0.000 0.298 471 V C 1.243 177.410 176.094 0.121 0.000 1.031 471 V CA 0.289 62.665 62.300 0.127 0.000 0.871 471 V CB 1.693 33.621 31.823 0.175 0.000 0.988 471 V HN 1.084 nan 8.190 nan 0.000 0.432 472 T N 0.695 115.291 114.554 0.071 0.000 3.081 472 T HA 0.290 4.640 4.350 0.000 0.000 0.250 472 T C 1.011 175.782 174.700 0.118 0.000 1.100 472 T CA 0.498 62.645 62.100 0.079 0.000 1.038 472 T CB 0.168 69.057 68.868 0.035 0.000 0.962 472 T HN 1.852 nan 8.240 nan 0.000 0.516 473 A N 0.055 122.928 122.820 0.089 0.000 2.739 473 A HA -0.136 4.184 4.320 0.000 0.000 0.296 473 A C 1.162 178.827 177.584 0.134 0.000 1.488 473 A CA 0.147 52.233 52.037 0.081 0.000 0.746 473 A CB -2.892 16.167 19.000 0.099 0.000 1.047 473 A HN 1.429 nan 8.150 nan 0.000 0.477 474 c N -2.905 115.738 118.600 0.071 0.000 4.365 474 c HA -0.160 4.410 4.570 0.000 0.000 0.299 474 c C 0.846 174.991 174.090 0.093 0.000 1.409 474 c CA 0.534 56.901 56.329 0.063 0.000 2.007 474 c CB -2.759 39.776 42.510 0.041 0.000 1.264 474 c HN 1.979 nan 8.230 nan 0.000 0.777 475 L N 0.955 122.193 121.223 0.025 0.000 2.499 475 L HA 0.488 4.828 4.340 0.000 0.000 0.273 475 L C 1.351 178.093 176.870 -0.213 0.000 1.195 475 L CA 2.338 57.008 54.840 -0.284 0.000 0.882 475 L CB 0.411 42.345 42.059 -0.209 0.000 1.133 475 L HN 1.078 nan 8.230 nan 0.000 0.483 476 G N 2.537 111.168 108.800 -0.281 0.000 2.179 476 G HA2 -0.231 3.729 3.960 0.000 0.000 0.260 476 G HA3 -0.231 3.729 3.960 0.000 0.000 0.260 476 G C 0.180 175.039 174.900 -0.069 0.000 0.977 476 G CA 0.435 45.451 45.100 -0.140 0.000 0.641 476 G HN 0.659 nan 8.290 nan 0.000 0.533 477 E N -0.358 119.819 120.200 -0.039 0.000 2.281 477 E HA 0.459 4.809 4.350 0.000 0.000 0.262 477 E C -1.872 174.748 176.600 0.033 0.000 0.933 477 E CA -2.108 54.291 56.400 -0.001 0.000 0.809 477 E CB 1.708 31.408 29.700 -0.000 0.000 1.242 477 E HN -0.024 nan 8.360 nan 0.000 0.418 478 P HA -0.089 nan 4.420 nan 0.000 0.222 478 P C 0.374 177.699 177.300 0.042 0.000 1.147 478 P CA 0.987 64.107 63.100 0.033 0.000 0.790 478 P CB 0.232 31.944 31.700 0.020 0.000 0.780 479 N N -1.479 117.242 118.700 0.035 0.000 2.276 479 N HA -0.025 4.715 4.740 0.000 0.000 0.212 479 N C 0.214 175.746 175.510 0.037 0.000 1.127 479 N CA -0.027 53.033 53.050 0.017 0.000 0.834 479 N CB -0.590 37.885 38.487 -0.020 0.000 1.014 479 N HN 0.277 nan 8.380 nan 0.000 0.491 480 H N 1.283 120.337 119.070 -0.027 0.000 3.094 480 H HA 0.103 4.659 4.556 0.000 0.000 0.320 480 H C -0.173 175.143 175.328 -0.021 0.000 1.000 480 H CA 0.770 56.804 56.048 -0.023 0.000 1.413 480 H CB 0.176 29.928 29.762 -0.015 0.000 1.405 480 H HN 0.051 nan 8.280 nan 0.000 0.586 481 I N 4.405 124.740 120.570 -0.391 0.000 2.509 481 I HA 0.151 4.321 4.170 0.000 0.000 0.293 481 I C 0.760 176.621 176.117 -0.428 0.000 1.020 481 I CA -0.213 60.881 61.300 -0.344 0.000 1.088 481 I CB 2.191 40.098 38.000 -0.155 0.000 1.267 481 I HN 0.841 nan 8.210 nan 0.000 0.430 482 T N 1.228 115.591 114.554 -0.318 0.000 3.016 482 T HA 0.294 4.644 4.350 0.000 0.000 0.271 482 T C 0.522 175.163 174.700 -0.099 0.000 0.968 482 T CA -0.251 61.732 62.100 -0.195 0.000 0.891 482 T CB 0.235 69.007 68.868 -0.160 0.000 1.149 482 T HN 0.485 nan 8.240 nan 0.000 0.524 483 R N 1.082 121.518 120.500 -0.107 0.000 2.521 483 R HA 0.597 4.937 4.340 0.000 0.000 0.295 483 R C -0.977 175.243 176.300 -0.133 0.000 1.183 483 R CA -0.600 55.447 56.100 -0.087 0.000 0.957 483 R CB 0.755 31.009 30.300 -0.077 0.000 1.171 483 R HN 0.253 nan 8.270 nan 0.000 0.494 484 L N 2.694 123.846 121.223 -0.119 0.000 2.473 484 L HA 0.188 4.528 4.340 0.000 0.000 0.268 484 L C 0.927 177.491 176.870 -0.510 0.000 1.215 484 L CA 0.551 55.286 54.840 -0.175 0.000 0.823 484 L CB 0.844 42.893 42.059 -0.017 0.000 1.099 484 L HN 0.739 nan 8.230 nan 0.000 0.483 485 E N -0.592 119.248 120.200 -0.600 0.000 4.072 485 E HA 0.228 4.578 4.350 0.000 0.000 0.247 485 E C -0.753 175.460 176.600 -0.646 0.000 1.033 485 E CA -0.800 54.767 56.400 -1.389 0.000 1.019 485 E CB 0.371 29.394 29.700 -1.128 0.000 2.662 485 E HN 0.523 nan 8.360 nan 0.000 0.514 486 H N 0.080 119.030 119.070 -0.199 0.000 2.615 486 H HA 0.359 4.915 4.556 0.000 0.000 0.363 486 H C -0.671 174.727 175.328 0.117 0.000 1.148 486 H CA -0.182 55.901 56.048 0.057 0.000 1.401 486 H CB 0.901 30.627 29.762 -0.060 0.000 1.461 486 H HN -0.084 nan 8.280 nan 0.000 0.588 487 V N 2.801 122.854 119.914 0.231 0.000 2.577 487 V HA 0.235 4.355 4.120 0.000 0.000 0.303 487 V C -0.602 175.548 176.094 0.094 0.000 1.042 487 V CA -0.807 61.576 62.300 0.137 0.000 0.872 487 V CB 1.626 33.531 31.823 0.137 0.000 0.998 487 V HN 0.753 nan 8.190 nan 0.000 0.423 488 Q N 2.873 122.698 119.800 0.041 0.000 2.316 488 Q HA 0.773 5.113 4.340 0.000 0.000 0.264 488 Q C -0.452 175.560 176.000 0.020 0.000 0.987 488 Q CA -0.637 55.172 55.803 0.009 0.000 0.852 488 Q CB 2.629 31.350 28.738 -0.028 0.000 1.287 488 Q HN 0.859 nan 8.270 nan 0.000 0.448 489 A N 3.445 126.323 122.820 0.097 0.000 2.316 489 A HA 0.373 4.693 4.320 0.000 0.000 0.324 489 A C -0.463 177.256 177.584 0.226 0.000 1.375 489 A CA -0.654 51.516 52.037 0.221 0.000 0.882 489 A CB 0.294 19.382 19.000 0.148 0.000 1.152 489 A HN 0.663 nan 8.150 nan 0.000 0.512 490 R N 2.649 123.269 120.500 0.199 0.000 2.220 490 R HA 0.425 4.765 4.340 0.000 0.000 0.340 490 R C -0.969 175.469 176.300 0.231 0.000 1.076 490 R CA 0.049 56.230 56.100 0.136 0.000 0.920 490 R CB 0.429 30.756 30.300 0.045 0.000 1.062 490 R HN 0.641 nan 8.270 nan 0.000 0.469 491 L N 1.941 123.312 121.223 0.247 0.000 2.334 491 L HA 0.525 4.865 4.340 0.000 0.000 0.273 491 L C 0.078 177.102 176.870 0.257 0.000 1.013 491 L CA -0.742 54.239 54.840 0.235 0.000 0.816 491 L CB 2.227 44.401 42.059 0.192 0.000 1.278 491 L HN 0.444 nan 8.230 nan 0.000 0.431 492 T N 3.959 118.644 114.554 0.218 0.000 2.906 492 T HA 0.673 5.023 4.350 0.000 0.000 0.302 492 T C -0.815 174.000 174.700 0.192 0.000 1.002 492 T CA -0.447 61.780 62.100 0.212 0.000 0.988 492 T CB 1.234 70.194 68.868 0.154 0.000 0.972 492 T HN 0.407 nan 8.240 nan 0.000 0.447 493 L N 0.604 121.962 121.223 0.225 0.000 2.479 493 L HA 1.002 5.342 4.340 0.000 0.000 0.255 493 L C -0.476 176.488 176.870 0.156 0.000 1.026 493 L CA -1.020 53.929 54.840 0.182 0.000 0.842 493 L CB 1.748 43.917 42.059 0.184 0.000 1.444 493 L HN 0.474 nan 8.230 nan 0.000 0.409 494 S N -0.042 115.739 115.700 0.135 0.000 2.500 494 S HA 0.872 5.342 4.470 0.000 0.000 0.301 494 S C -1.144 173.551 174.600 0.158 0.000 1.092 494 S CA -0.553 57.705 58.200 0.096 0.000 1.030 494 S CB 1.451 64.690 63.200 0.065 0.000 1.031 494 S HN 0.832 nan 8.310 nan 0.000 0.483 495 Y N 1.662 121.890 120.300 -0.120 0.000 2.609 495 Y HA 0.369 4.919 4.550 0.000 0.000 0.336 495 Y C 0.692 176.428 175.900 -0.273 0.000 1.129 495 Y CA -1.111 56.872 58.100 -0.194 0.000 1.040 495 Y CB 1.628 40.016 38.460 -0.119 0.000 1.310 495 Y HN 0.793 nan 8.280 nan 0.000 0.460 496 N N 1.458 119.705 118.700 -0.754 0.000 2.376 496 N HA 0.004 4.744 4.740 0.000 0.000 0.177 496 N C 0.075 175.441 175.510 -0.239 0.000 1.024 496 N CA 0.604 53.323 53.050 -0.551 0.000 0.893 496 N CB 0.361 38.337 38.487 -0.852 0.000 0.980 496 N HN 0.461 nan 8.380 nan 0.000 0.439 497 R N 0.727 121.142 120.500 -0.142 0.000 2.607 497 R HA 0.300 4.640 4.340 0.000 0.000 0.278 497 R C 0.828 177.234 176.300 0.177 0.000 1.637 497 R CA -0.436 55.692 56.100 0.045 0.000 1.325 497 R CB 0.679 31.013 30.300 0.056 0.000 1.211 497 R HN 0.033 nan 8.270 nan 0.000 0.565 498 R N 1.410 121.955 120.500 0.075 0.000 2.096 498 R HA -0.132 4.208 4.340 0.000 0.000 0.240 498 R C 1.489 177.789 176.300 0.001 0.000 1.139 498 R CA 2.303 58.410 56.100 0.012 0.000 0.952 498 R CB -0.306 29.890 30.300 -0.174 0.000 0.854 498 R HN 0.685 nan 8.270 nan 0.000 0.436 499 G N -0.230 108.541 108.800 -0.048 0.000 2.527 499 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 499 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 499 G C 0.660 175.530 174.900 -0.050 0.000 1.117 499 G CA 0.864 45.916 45.100 -0.080 0.000 0.759 499 G HN 0.352 nan 8.290 nan 0.000 0.556 500 D N -0.159 120.248 120.400 0.012 0.000 2.347 500 D HA 0.098 4.738 4.640 0.000 0.000 0.213 500 D C 1.218 177.507 176.300 -0.018 0.000 0.985 500 D CA 0.013 54.030 54.000 0.029 0.000 0.879 500 D CB 0.203 41.079 40.800 0.126 0.000 0.919 500 D HN 0.243 nan 8.370 nan 0.000 0.526 501 L N 0.525 121.702 121.223 -0.076 0.000 2.395 501 L HA 0.462 4.802 4.340 0.000 0.000 0.269 501 L C 0.223 177.014 176.870 -0.131 0.000 1.133 501 L CA -0.585 54.150 54.840 -0.176 0.000 0.812 501 L CB 1.175 43.076 42.059 -0.263 0.000 1.125 501 L HN -0.153 nan 8.230 nan 0.000 0.452 502 A N 4.713 127.446 122.820 -0.146 0.000 2.359 502 A HA 0.787 5.107 4.320 0.000 0.000 0.303 502 A C -0.889 176.584 177.584 -0.184 0.000 1.066 502 A CA -0.407 51.545 52.037 -0.143 0.000 0.730 502 A CB 0.960 19.941 19.000 -0.031 0.000 1.211 502 A HN 0.604 nan 8.150 nan 0.000 0.439 503 I N 2.138 122.492 120.570 -0.360 0.000 2.465 503 I HA 0.479 4.649 4.170 0.000 0.000 0.291 503 I C -0.759 175.043 176.117 -0.525 0.000 1.014 503 I CA -0.537 60.525 61.300 -0.397 0.000 1.093 503 I CB 2.169 39.807 38.000 -0.603 0.000 1.267 503 I HN 0.757 nan 8.210 nan 0.000 0.431 504 H N 4.809 123.742 119.070 -0.229 0.000 2.690 504 H HA 0.687 5.243 4.556 0.000 0.000 0.368 504 H C -1.354 173.907 175.328 -0.112 0.000 1.150 504 H CA -0.696 55.261 56.048 -0.152 0.000 1.174 504 H CB 2.403 32.099 29.762 -0.109 0.000 1.684 504 H HN 0.344 nan 8.280 nan 0.000 0.538 505 L N 2.793 124.060 121.223 0.073 0.000 2.381 505 L HA 0.555 4.895 4.340 0.000 0.000 0.274 505 L C -1.663 175.315 176.870 0.179 0.000 0.988 505 L CA -0.507 54.418 54.840 0.142 0.000 0.824 505 L CB 0.953 43.118 42.059 0.178 0.000 1.263 505 L HN 0.520 nan 8.230 nan 0.000 0.410 506 I N 3.830 124.498 120.570 0.164 0.000 2.389 506 I HA 0.485 4.655 4.170 0.000 0.000 0.288 506 I C 0.302 176.322 176.117 -0.162 0.000 0.999 506 I CA -0.134 61.185 61.300 0.031 0.000 1.129 506 I CB 1.917 39.916 38.000 -0.003 0.000 1.288 506 I HN 0.690 nan 8.210 nan 0.000 0.444 507 S N 5.538 120.990 115.700 -0.414 0.000 2.603 507 S HA 0.405 4.875 4.470 0.000 0.000 0.268 507 S C -1.903 172.230 174.600 -0.778 0.000 1.317 507 S CA -0.947 56.572 58.200 -1.136 0.000 1.012 507 S CB 0.777 63.497 63.200 -0.799 0.000 0.926 507 S HN 0.424 nan 8.310 nan 0.000 0.539 508 P HA -0.096 nan 4.420 nan 0.000 0.217 508 P C 0.936 178.078 177.300 -0.264 0.000 1.148 508 P CA 1.528 64.356 63.100 -0.454 0.000 0.828 508 P CB -0.060 31.422 31.700 -0.363 0.000 0.783 509 M N -2.009 117.440 119.600 -0.252 0.000 2.608 509 M HA 0.226 4.706 4.480 0.000 0.000 0.224 509 M C 0.947 177.183 176.300 -0.106 0.000 1.204 509 M CA 0.566 55.786 55.300 -0.134 0.000 0.984 509 M CB -0.552 31.995 32.600 -0.089 0.000 1.691 509 M HN 0.055 nan 8.290 nan 0.000 0.469 510 G N 0.476 109.193 108.800 -0.137 0.000 2.162 510 G HA2 -0.221 3.739 3.960 0.000 0.000 0.260 510 G HA3 -0.221 3.739 3.960 0.000 0.000 0.260 510 G C 0.131 175.001 174.900 -0.050 0.000 0.976 510 G CA 0.279 45.328 45.100 -0.085 0.000 0.655 510 G HN 0.427 nan 8.290 nan 0.000 0.533 511 T N 0.717 115.237 114.554 -0.056 0.000 2.737 511 T HA 0.428 4.778 4.350 0.000 0.000 0.296 511 T C 0.584 175.309 174.700 0.041 0.000 0.922 511 T CA -0.096 62.014 62.100 0.018 0.000 1.079 511 T CB 1.088 69.985 68.868 0.049 0.000 0.892 511 T HN 0.453 nan 8.240 nan 0.000 0.514 512 R N 2.953 123.502 120.500 0.082 0.000 2.204 512 R HA 0.340 4.680 4.340 0.000 0.000 0.341 512 R C -0.532 175.881 176.300 0.188 0.000 1.035 512 R CA -0.208 55.959 56.100 0.111 0.000 0.887 512 R CB 0.285 30.633 30.300 0.079 0.000 1.114 512 R HN 0.505 nan 8.270 nan 0.000 0.473 513 S N 2.290 118.083 115.700 0.156 0.000 2.462 513 S HA 0.201 4.671 4.470 0.000 0.000 0.294 513 S C -0.470 174.183 174.600 0.088 0.000 1.144 513 S CA -0.532 57.740 58.200 0.120 0.000 1.088 513 S CB 1.877 65.070 63.200 -0.011 0.000 1.009 513 S HN 0.505 nan 8.310 nan 0.000 0.484 514 T N 4.678 119.312 114.554 0.133 0.000 2.863 514 T HA 0.210 4.560 4.350 0.000 0.000 0.299 514 T C 1.501 176.040 174.700 -0.268 0.000 0.973 514 T CA -0.256 61.621 62.100 -0.372 0.000 0.994 514 T CB -0.125 68.369 68.868 -0.622 0.000 0.961 514 T HN 0.446 nan 8.240 nan 0.000 0.552 515 L N 2.625 123.640 121.223 -0.347 0.000 2.141 515 L HA 0.162 4.502 4.340 0.000 0.000 0.209 515 L C 0.488 177.186 176.870 -0.285 0.000 1.094 515 L CA 0.869 55.535 54.840 -0.291 0.000 0.763 515 L CB -0.073 41.681 42.059 -0.509 0.000 0.908 515 L HN 0.399 nan 8.230 nan 0.000 0.437 516 L N -0.575 120.400 121.223 -0.414 0.000 2.614 516 L HA 0.631 4.971 4.340 0.000 0.000 0.264 516 L C -0.650 176.057 176.870 -0.272 0.000 0.940 516 L CA -0.285 54.396 54.840 -0.264 0.000 0.903 516 L CB 1.408 43.278 42.059 -0.314 0.000 1.306 516 L HN -0.113 nan 8.230 nan 0.000 0.410 517 A N 3.545 126.264 122.820 -0.168 0.000 2.269 517 A HA 0.934 5.254 4.320 0.000 0.000 0.319 517 A C 0.051 177.581 177.584 -0.091 0.000 1.110 517 A CA -0.161 51.788 52.037 -0.147 0.000 0.847 517 A CB 0.923 19.850 19.000 -0.121 0.000 1.161 517 A HN 1.297 nan 8.150 nan 0.000 0.497 518 A N 0.470 123.235 122.820 -0.091 0.000 2.498 518 A HA 0.469 4.789 4.320 0.000 0.000 0.239 518 A C 0.319 177.852 177.584 -0.084 0.000 1.068 518 A CA 0.181 52.164 52.037 -0.089 0.000 0.766 518 A CB -0.132 18.804 19.000 -0.106 0.000 1.003 518 A HN 0.685 nan 8.150 nan 0.000 0.497 519 R N 3.355 123.808 120.500 -0.078 0.000 2.363 519 R HA 0.260 4.600 4.340 0.000 0.000 0.297 519 R C -2.058 174.141 176.300 -0.169 0.000 1.208 519 R CA -1.615 54.447 56.100 -0.063 0.000 1.121 519 R CB 1.478 31.764 30.300 -0.022 0.000 1.124 519 R HN 0.588 nan 8.270 nan 0.000 0.561 520 P HA -0.215 nan 4.420 nan 0.000 0.220 520 P C 0.287 177.239 177.300 -0.580 0.000 1.144 520 P CA 1.398 64.276 63.100 -0.370 0.000 0.800 520 P CB 0.279 31.743 31.700 -0.393 0.000 0.772 521 H N -1.414 117.489 119.070 -0.277 0.000 2.539 521 H HA 0.122 4.678 4.556 -0.000 0.000 0.269 521 H C 0.154 175.055 175.328 -0.713 0.000 0.980 521 H CA 0.097 55.888 56.048 -0.429 0.000 1.152 521 H CB -0.037 29.657 29.762 -0.114 0.000 1.407 521 H HN 0.184 nan 8.280 nan 0.000 0.564 522 D N 0.274 120.368 120.400 -0.509 0.000 2.411 522 D HA 0.008 4.648 4.640 0.000 0.000 0.225 522 D C -0.049 175.984 176.300 -0.445 0.000 1.156 522 D CA -0.397 53.384 54.000 -0.365 0.000 0.874 522 D CB -0.032 40.662 40.800 -0.176 0.000 1.034 522 D HN 0.162 nan 8.370 nan 0.000 0.502 523 Y N 1.459 121.760 120.300 0.000 0.000 2.507 523 Y HA 0.167 4.717 4.550 0.000 0.000 0.254 523 Y C 1.550 177.426 175.900 -0.040 0.000 1.171 523 Y CA -0.592 57.499 58.100 -0.015 0.000 1.238 523 Y CB 0.294 38.752 38.460 -0.004 0.000 1.148 523 Y HN 0.250 nan 8.280 nan 0.000 0.525 524 S N 1.134 116.853 115.700 0.032 0.000 2.554 524 S HA 0.181 4.651 4.470 0.000 0.000 0.290 524 S C 1.102 175.673 174.600 -0.048 0.000 1.309 524 S CA 0.474 58.657 58.200 -0.027 0.000 1.047 524 S CB 0.790 63.923 63.200 -0.110 0.000 0.828 524 S HN 0.451 nan 8.310 nan 0.000 0.509 525 A N 3.005 125.790 122.820 -0.057 0.000 2.538 525 A HA 0.308 4.628 4.320 0.000 0.000 0.269 525 A C 0.872 178.404 177.584 -0.086 0.000 1.231 525 A CA -0.255 51.737 52.037 -0.076 0.000 0.948 525 A CB 0.104 19.068 19.000 -0.061 0.000 1.110 525 A HN 0.766 nan 8.150 nan 0.000 0.529 526 D N 0.293 120.626 120.400 -0.112 0.000 2.348 526 D HA 0.267 4.907 4.640 0.000 0.000 0.211 526 D C 1.556 177.761 176.300 -0.158 0.000 0.998 526 D CA 1.356 55.286 54.000 -0.116 0.000 0.873 526 D CB 0.227 40.956 40.800 -0.119 0.000 0.925 526 D HN 0.562 nan 8.370 nan 0.000 0.524 527 G N 0.530 109.184 108.800 -0.245 0.000 2.564 527 G HA2 -0.272 3.688 3.960 0.000 0.000 0.273 527 G HA3 -0.272 3.688 3.960 0.000 0.000 0.273 527 G C -0.418 174.136 174.900 -0.577 0.000 1.242 527 G CA -0.280 44.634 45.100 -0.309 0.000 0.951 527 G HN 0.246 nan 8.290 nan 0.000 0.564 528 F N 0.489 120.466 119.950 0.044 0.000 2.565 528 F HA 0.607 5.134 4.527 0.000 0.000 0.313 528 F C -0.025 175.834 175.800 0.099 0.000 1.091 528 F CA -0.794 57.243 58.000 0.061 0.000 0.915 528 F CB 2.576 41.670 39.000 0.157 0.000 1.208 528 F HN 0.366 nan 8.300 nan 0.000 0.453 529 N N 1.833 120.715 118.700 0.303 0.000 2.569 529 N HA 0.245 4.985 4.740 0.000 0.000 0.254 529 N C -1.182 174.462 175.510 0.223 0.000 1.004 529 N CA -0.389 52.790 53.050 0.214 0.000 0.904 529 N CB 0.866 39.434 38.487 0.135 0.000 1.165 529 N HN 0.569 nan 8.380 nan 0.000 0.513 530 D N 0.647 121.164 120.400 0.194 0.000 2.708 530 D HA -0.221 4.419 4.640 0.000 0.000 0.236 530 D C -0.934 175.426 176.300 0.101 0.000 1.146 530 D CA 0.466 54.540 54.000 0.124 0.000 0.662 530 D CB -0.397 40.443 40.800 0.066 0.000 1.059 530 D HN 0.559 nan 8.370 nan 0.000 0.428 531 W N 0.363 121.630 121.300 -0.055 0.000 2.311 531 W HA 0.543 5.203 4.660 0.000 0.000 0.310 531 W C -0.101 176.211 176.519 -0.346 0.000 1.274 531 W CA -0.290 56.897 57.345 -0.262 0.000 1.215 531 W CB 0.685 29.889 29.460 -0.427 0.000 1.227 531 W HN 0.222 nan 8.180 nan 0.000 0.523 532 A N 7.631 129.876 122.820 -0.958 0.000 2.923 532 A HA 0.301 4.621 4.320 0.000 0.000 0.306 532 A C -0.823 176.388 177.584 -0.621 0.000 1.542 532 A CA -0.476 51.193 52.037 -0.612 0.000 1.225 532 A CB -0.934 17.759 19.000 -0.511 0.000 1.147 532 A HN 0.503 nan 8.150 nan 0.000 0.542 533 F N 1.828 121.606 119.950 -0.287 0.000 2.578 533 F HA 0.196 4.723 4.527 -0.000 0.000 0.376 533 F C 0.812 176.524 175.800 -0.148 0.000 1.085 533 F CA 0.531 58.437 58.000 -0.157 0.000 1.260 533 F CB 0.584 39.522 39.000 -0.102 0.000 1.095 533 F HN 0.386 nan 8.300 nan 0.000 0.573 534 M N 3.497 123.111 119.600 0.023 0.000 2.383 534 M HA 0.355 4.835 4.480 0.000 0.000 0.325 534 M C -0.885 175.441 176.300 0.045 0.000 1.092 534 M CA -0.200 55.103 55.300 0.006 0.000 0.961 534 M CB 1.964 34.515 32.600 -0.081 0.000 1.672 534 M HN 0.636 nan 8.290 nan 0.000 0.438 535 T N 1.609 116.211 114.554 0.081 0.000 2.841 535 T HA 0.527 4.877 4.350 0.000 0.000 0.283 535 T C 0.684 175.499 174.700 0.192 0.000 1.000 535 T CA -0.215 61.925 62.100 0.066 0.000 0.977 535 T CB 0.928 69.814 68.868 0.030 0.000 0.979 535 T HN 0.832 nan 8.240 nan 0.000 0.446 536 T N 0.507 115.213 114.554 0.254 0.000 3.054 536 T HA 0.186 4.536 4.350 0.000 0.000 0.255 536 T C 1.256 176.247 174.700 0.485 0.000 1.035 536 T CA 0.122 62.453 62.100 0.384 0.000 0.941 536 T CB -0.420 68.624 68.868 0.294 0.000 1.026 536 T HN 0.814 nan 8.240 nan 0.000 0.533 537 H N 0.971 120.108 119.070 0.112 0.000 2.521 537 H HA 0.141 4.697 4.556 0.000 0.000 0.286 537 H C 1.228 176.669 175.328 0.188 0.000 1.034 537 H CA 0.651 56.728 56.048 0.049 0.000 1.278 537 H CB 0.314 30.024 29.762 -0.086 0.000 1.386 537 H HN 0.351 nan 8.280 nan 0.000 0.567 538 S N 0.256 116.173 115.700 0.362 0.000 2.575 538 S HA -0.023 4.447 4.470 0.000 0.000 0.237 538 S C 0.022 174.803 174.600 0.301 0.000 0.975 538 S CA -0.460 57.911 58.200 0.285 0.000 0.960 538 S CB 0.014 63.373 63.200 0.265 0.000 0.822 538 S HN 0.369 nan 8.310 nan 0.000 0.472 539 W N 3.130 124.518 121.300 0.146 0.000 2.385 539 W HA -0.053 4.607 4.660 -0.000 0.000 0.336 539 W C -0.020 176.525 176.519 0.043 0.000 1.351 539 W CA 0.974 58.344 57.345 0.042 0.000 1.295 539 W CB 0.070 29.505 29.460 -0.042 0.000 1.239 539 W HN 0.388 nan 8.180 nan 0.000 0.565 540 D N 1.568 121.961 120.400 -0.012 0.000 2.911 540 D HA -0.205 4.435 4.640 0.000 0.000 0.199 540 D C -0.011 176.320 176.300 0.051 0.000 1.041 540 D CA 1.391 55.417 54.000 0.045 0.000 1.013 540 D CB -0.898 40.015 40.800 0.189 0.000 1.093 540 D HN 0.595 nan 8.370 nan 0.000 0.431 541 E N 0.671 120.911 120.200 0.065 0.000 2.345 541 E HA 0.265 4.615 4.350 0.000 0.000 0.259 541 E C 0.075 176.694 176.600 0.032 0.000 1.117 541 E CA -0.566 55.865 56.400 0.051 0.000 0.913 541 E CB 0.794 30.527 29.700 0.055 0.000 1.057 541 E HN 0.002 nan 8.360 nan 0.000 0.432 542 D N 2.005 122.416 120.400 0.019 0.000 2.295 542 D HA 0.063 4.703 4.640 0.000 0.000 0.248 542 D C -1.598 174.737 176.300 0.057 0.000 1.154 542 D CA -2.311 51.702 54.000 0.021 0.000 0.857 542 D CB 1.109 41.916 40.800 0.011 0.000 1.117 542 D HN 0.108 nan 8.370 nan 0.000 0.468 543 P HA 0.053 nan 4.420 nan 0.000 0.233 543 P C 0.097 177.585 177.300 0.314 0.000 1.167 543 P CA -0.028 63.263 63.100 0.318 0.000 0.770 543 P CB 0.158 32.058 31.700 0.334 0.000 0.837 544 A N 0.310 123.228 122.820 0.164 0.000 2.492 544 A HA 0.513 4.833 4.320 0.000 0.000 0.254 544 A C 0.914 178.554 177.584 0.094 0.000 1.091 544 A CA 0.825 52.950 52.037 0.147 0.000 0.768 544 A CB -0.725 18.345 19.000 0.116 0.000 1.028 544 A HN 0.439 nan 8.150 nan 0.000 0.498 545 G N 1.023 109.891 108.800 0.114 0.000 2.302 545 G HA2 0.246 4.206 3.960 0.000 0.000 0.276 545 G HA3 0.246 4.206 3.960 0.000 0.000 0.276 545 G C -0.702 174.252 174.900 0.089 0.000 1.316 545 G CA -0.211 44.917 45.100 0.048 0.000 0.988 545 G HN 1.088 nan 8.290 nan 0.000 0.479 546 E N -0.279 119.931 120.200 0.016 0.000 2.167 546 E HA 0.508 4.858 4.350 0.000 0.000 0.284 546 E C -0.935 175.679 176.600 0.024 0.000 1.016 546 E CA -0.772 55.669 56.400 0.069 0.000 0.817 546 E CB 0.615 30.339 29.700 0.040 0.000 1.080 546 E HN 0.427 nan 8.360 nan 0.000 0.397 547 W N 3.278 124.604 121.300 0.044 0.000 2.449 547 W HA 0.467 5.127 4.660 0.000 0.000 0.331 547 W C -0.841 175.734 176.519 0.093 0.000 1.119 547 W CA -0.471 56.916 57.345 0.071 0.000 1.240 547 W CB 1.633 31.144 29.460 0.086 0.000 1.251 547 W HN 0.209 nan 8.180 nan 0.000 0.576 548 V N 4.319 124.426 119.914 0.321 0.000 2.577 548 V HA 0.375 4.495 4.120 0.000 0.000 0.303 548 V C -1.081 175.129 176.094 0.192 0.000 1.042 548 V CA -1.063 61.363 62.300 0.211 0.000 0.872 548 V CB 1.462 33.343 31.823 0.097 0.000 0.998 548 V HN 0.327 nan 8.190 nan 0.000 0.423 549 L N 4.507 125.808 121.223 0.130 0.000 2.307 549 L HA 0.657 4.997 4.340 0.000 0.000 0.284 549 L C -0.212 176.621 176.870 -0.062 0.000 1.023 549 L CA 0.331 55.140 54.840 -0.052 0.000 0.810 549 L CB 1.505 43.350 42.059 -0.357 0.000 1.231 549 L HN 0.712 nan 8.230 nan 0.000 0.423 550 E N 6.101 126.259 120.200 -0.069 0.000 2.191 550 E HA 0.516 4.866 4.350 0.000 0.000 0.263 550 E C -1.213 175.337 176.600 -0.084 0.000 0.881 550 E CA -0.340 56.030 56.400 -0.050 0.000 0.757 550 E CB 2.145 31.837 29.700 -0.015 0.000 1.147 550 E HN 0.515 nan 8.360 nan 0.000 0.414 551 I N 3.185 123.694 120.570 -0.101 0.000 2.436 551 I HA 0.272 4.442 4.170 0.000 0.000 0.289 551 I C -0.355 175.700 176.117 -0.103 0.000 1.010 551 I CA -0.558 60.658 61.300 -0.140 0.000 1.098 551 I CB 1.597 39.491 38.000 -0.177 0.000 1.266 551 I HN 0.547 nan 8.210 nan 0.000 0.434 552 E N 4.774 124.911 120.200 -0.104 0.000 2.356 552 E HA 0.351 4.701 4.350 0.000 0.000 0.275 552 E C -1.349 175.205 176.600 -0.077 0.000 0.904 552 E CA -1.020 55.339 56.400 -0.068 0.000 0.757 552 E CB 2.030 31.708 29.700 -0.038 0.000 1.232 552 E HN 0.417 nan 8.360 nan 0.000 0.442 553 N N 1.635 120.327 118.700 -0.013 0.000 2.406 553 N HA 0.039 4.779 4.740 0.000 0.000 0.251 553 N C 0.466 175.991 175.510 0.024 0.000 1.069 553 N CA 0.036 53.112 53.050 0.044 0.000 0.947 553 N CB 1.286 39.872 38.487 0.166 0.000 1.111 553 N HN 0.637 nan 8.380 nan 0.000 0.497 554 T N -0.212 114.344 114.554 0.003 0.000 3.160 554 T HA 0.035 4.385 4.350 0.000 0.000 0.257 554 T C 0.855 175.555 174.700 0.000 0.000 1.147 554 T CA -0.037 62.057 62.100 -0.010 0.000 1.064 554 T CB -0.153 68.695 68.868 -0.032 0.000 0.949 554 T HN 0.321 nan 8.240 nan 0.000 0.526 555 S N -0.042 115.673 115.700 0.025 0.000 2.687 555 S HA 0.361 4.831 4.470 0.000 0.000 0.283 555 S C 0.654 175.273 174.600 0.032 0.000 1.170 555 S CA -0.672 57.545 58.200 0.027 0.000 1.008 555 S CB 1.773 65.000 63.200 0.046 0.000 1.026 555 S HN 0.366 nan 8.310 nan 0.000 0.541 556 E N 0.694 120.909 120.200 0.025 0.000 2.479 556 E HA 0.312 4.662 4.350 0.000 0.000 0.193 556 E C 0.515 177.134 176.600 0.031 0.000 1.049 556 E CA -0.078 56.336 56.400 0.024 0.000 0.870 556 E CB 0.282 29.990 29.700 0.014 0.000 0.944 556 E HN 0.695 nan 8.360 nan 0.000 0.492 557 A N 1.035 123.877 122.820 0.038 0.000 2.406 557 A HA 0.096 4.416 4.320 0.000 0.000 0.243 557 A C 0.066 177.680 177.584 0.050 0.000 1.082 557 A CA -0.271 51.790 52.037 0.040 0.000 0.786 557 A CB 0.257 19.282 19.000 0.042 0.000 1.029 557 A HN 0.128 nan 8.150 nan 0.000 0.495 558 N N 2.442 121.172 118.700 0.049 0.000 2.807 558 N HA 0.106 4.846 4.740 0.000 0.000 0.259 558 N C -0.683 174.882 175.510 0.093 0.000 1.149 558 N CA 0.024 53.110 53.050 0.061 0.000 1.042 558 N CB -0.065 38.445 38.487 0.039 0.000 1.367 558 N HN 0.514 nan 8.380 nan 0.000 0.516 559 N N 1.286 120.030 118.700 0.074 0.000 2.445 559 N HA 0.273 5.013 4.740 0.000 0.000 0.264 559 N C -0.342 175.135 175.510 -0.054 0.000 1.227 559 N CA -0.006 53.010 53.050 -0.057 0.000 0.963 559 N CB 0.845 39.261 38.487 -0.119 0.000 1.188 559 N HN 0.401 nan 8.380 nan 0.000 0.491 560 Y N -3.239 116.736 120.300 -0.543 0.000 2.597 560 Y HA 0.789 5.339 4.550 -0.000 0.000 0.340 560 Y C -0.094 175.558 175.900 -0.414 0.000 1.097 560 Y CA -1.141 56.764 58.100 -0.325 0.000 1.037 560 Y CB 1.271 39.639 38.460 -0.153 0.000 1.305 560 Y HN 0.651 nan 8.280 nan 0.000 0.463 561 G N 0.120 108.952 108.800 0.053 0.000 2.322 561 G HA2 0.502 4.462 3.960 0.000 0.000 0.295 561 G HA3 0.502 4.462 3.960 0.000 0.000 0.295 561 G C -1.933 173.100 174.900 0.221 0.000 1.369 561 G CA -0.803 44.389 45.100 0.154 0.000 0.821 561 G HN 0.742 nan 8.290 nan 0.000 0.536 562 T N 0.222 114.884 114.554 0.181 0.000 2.916 562 T HA 0.516 4.866 4.350 0.000 0.000 0.298 562 T C -1.088 173.686 174.700 0.122 0.000 1.031 562 T CA -0.425 61.758 62.100 0.138 0.000 0.993 562 T CB 1.851 70.786 68.868 0.112 0.000 1.045 562 T HN 0.816 nan 8.240 nan 0.000 0.454 563 L N 3.955 125.238 121.223 0.100 0.000 2.261 563 L HA 0.469 4.809 4.340 0.000 0.000 0.289 563 L C 1.314 178.242 176.870 0.097 0.000 1.059 563 L CA 0.248 55.142 54.840 0.089 0.000 0.816 563 L CB 0.590 42.682 42.059 0.055 0.000 1.191 563 L HN 0.891 nan 8.230 nan 0.000 0.431 564 T N 0.789 115.407 114.554 0.105 0.000 3.014 564 T HA 0.238 4.588 4.350 0.000 0.000 0.250 564 T C 0.638 175.399 174.700 0.102 0.000 1.060 564 T CA -0.067 62.091 62.100 0.096 0.000 1.040 564 T CB 0.045 68.965 68.868 0.087 0.000 0.971 564 T HN 0.401 nan 8.240 nan 0.000 0.497 565 K N 0.250 120.727 120.400 0.129 0.000 2.557 565 K HA 0.454 4.774 4.320 0.000 0.000 0.257 565 K C -2.483 174.255 176.600 0.230 0.000 0.933 565 K CA -0.765 55.607 56.287 0.143 0.000 0.820 565 K CB 2.254 34.820 32.500 0.110 0.000 1.330 565 K HN 0.116 nan 8.250 nan 0.000 0.432 566 F N 2.816 122.776 119.950 0.017 0.000 2.828 566 F HA 0.410 4.937 4.527 0.000 0.000 0.355 566 F C -1.377 174.407 175.800 -0.027 0.000 1.200 566 F CA -0.442 57.559 58.000 0.002 0.000 1.062 566 F CB 1.378 40.378 39.000 0.000 0.000 1.351 566 F HN 0.270 nan 8.300 nan 0.000 0.504 567 T N 7.242 121.841 114.554 0.075 0.000 2.770 567 T HA 0.483 4.833 4.350 0.000 0.000 0.283 567 T C -0.956 173.615 174.700 -0.215 0.000 0.988 567 T CA -0.423 61.571 62.100 -0.177 0.000 0.957 567 T CB 1.301 70.121 68.868 -0.081 0.000 0.930 567 T HN 0.521 nan 8.240 nan 0.000 0.443 568 L N 5.598 126.554 121.223 -0.445 0.000 2.264 568 L HA 0.598 4.938 4.340 0.000 0.000 0.289 568 L C -0.857 175.821 176.870 -0.320 0.000 1.044 568 L CA -0.259 54.346 54.840 -0.392 0.000 0.807 568 L CB 0.781 42.464 42.059 -0.627 0.000 1.192 568 L HN 0.412 nan 8.230 nan 0.000 0.425 569 V N 6.886 126.653 119.914 -0.245 0.000 2.357 569 V HA 0.420 4.540 4.120 0.000 0.000 0.284 569 V C -0.088 175.845 176.094 -0.268 0.000 1.018 569 V CA -0.559 61.580 62.300 -0.269 0.000 0.841 569 V CB 1.416 33.106 31.823 -0.221 0.000 0.991 569 V HN 0.567 nan 8.190 nan 0.000 0.437 570 L N 5.593 126.621 121.223 -0.324 0.000 2.307 570 L HA 0.596 4.936 4.340 0.000 0.000 0.284 570 L C -1.038 175.664 176.870 -0.281 0.000 1.023 570 L CA -0.554 54.151 54.840 -0.224 0.000 0.810 570 L CB 1.206 43.152 42.059 -0.189 0.000 1.231 570 L HN 0.492 nan 8.230 nan 0.000 0.423 571 Y N 1.266 121.518 120.300 -0.079 0.000 2.409 571 Y HA 0.819 5.369 4.550 -0.000 0.000 0.339 571 Y C 0.738 176.561 175.900 -0.128 0.000 1.033 571 Y CA -0.174 57.886 58.100 -0.065 0.000 1.094 571 Y CB 2.334 40.793 38.460 -0.002 0.000 1.210 571 Y HN 0.710 nan 8.280 nan 0.000 0.456 572 G N 0.274 109.093 108.800 0.031 0.000 2.336 572 G HA2 0.422 4.382 3.960 0.000 0.000 0.286 572 G HA3 0.422 4.382 3.960 0.000 0.000 0.286 572 G C -1.166 173.695 174.900 -0.063 0.000 1.269 572 G CA -0.416 44.631 45.100 -0.087 0.000 0.873 572 G HN 0.703 nan 8.290 nan 0.000 0.494 573 T N -2.183 112.316 114.554 -0.092 0.000 2.907 573 T HA 0.868 5.218 4.350 0.000 0.000 0.290 573 T C 0.157 174.794 174.700 -0.105 0.000 1.066 573 T CA 0.261 62.316 62.100 -0.076 0.000 1.012 573 T CB 1.653 70.480 68.868 -0.068 0.000 1.184 573 T HN 2.081 nan 8.240 nan 0.000 0.522 574 A N 2.232 125.001 122.820 -0.086 0.000 2.304 574 A HA 0.719 5.039 4.320 0.000 0.000 0.301 574 A C -2.222 175.320 177.584 -0.071 0.000 1.132 574 A CA -1.867 50.114 52.037 -0.095 0.000 0.819 574 A CB -0.644 18.334 19.000 -0.036 0.000 1.094 574 A HN 0.838 nan 8.150 nan 0.000 0.492 575 P HA -0.105 nan 4.420 nan 0.000 0.258 575 P C -0.282 176.996 177.300 -0.036 0.000 1.128 575 P CA 1.113 64.191 63.100 -0.037 0.000 0.760 575 P CB 0.229 31.929 31.700 -0.001 0.000 0.715 576 E N 0.000 120.174 120.200 -0.044 0.000 2.725 576 E HA 0.000 4.350 4.350 0.000 0.000 0.291 576 E CA 0.000 56.368 56.400 -0.053 0.000 0.976 576 E CB 0.000 29.659 29.700 -0.068 0.000 0.812 576 E HN 0.000 nan 8.360 nan 0.000 0.440