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 2vbk_1_A DATA FIRST_RESID 112 DATA SEQUENCE QFGPDLIEQL AQSGKYSQDN TKGDAMIGVK QPLPKAVLRT QHDKNKEAIS DATA SEQUENCE ILDFGVIDDG VTDNYQAIQN AIDAVASLPS GGELFIPASN QAVGYIVGST DATA SEQUENCE LLIPGGVNIR GVGKASQLRA KSGLTGSVLR LSYDSDTIGR YLRNIRVTGN DATA SEQUENCE NTCNGIDTNI TAEDSVIRQV YGWVFDNVMV NEVETAYLMQ GLWHSKFIAC DATA SEQUENCE QAGTCRVGLH FLGQCVSVSV SSCHFSRGNY SADESFGIRI QPQTYAWSSE DATA SEQUENCE AVRSEAIILD SETMCIGFKN AVYVHDCLDL HMEQLDLDYC GSTGVVIENV DATA SEQUENCE NGGFSFSNSW IAADADGTEQ FTGIYFRTPT STQSHKIVSG VHINTANKNT DATA SEQUENCE AANNQSIAIE QSAIFVFVSG CTLTGDEWAV NIVDINECVS FDKCIFNKPL DATA SEQUENCE RYLRSGGVSV TDCYLAGITE VQKPEGRYNT YRGCSGVPSV NGIINVPVAV DATA SEQUENCE GATSGSAAIP NPGNLTYRVR SLFGDPASSG DKVSVSGVTI NVTRPSPVGV DATA SEQUENCE ALPSMVEYLA I 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 112 Q HA 0.000 nan 4.340 nan 0.000 0.214 112 Q C 0.000 176.061 176.000 0.102 0.000 1.003 112 Q CA 0.000 55.853 55.803 0.084 0.000 1.022 112 Q CB 0.000 nan 28.738 nan 0.000 1.108 113 F N 1.447 121.406 119.950 0.015 0.000 2.171 113 F HA 0.148 4.678 4.527 0.004 0.000 0.300 113 F C 1.988 177.794 175.800 0.010 0.000 1.090 113 F CA 3.261 61.270 58.000 0.014 0.000 1.293 113 F CB -0.093 38.911 39.000 0.007 0.000 1.013 113 F HN 0.895 nan 8.300 nan 0.000 0.486 114 G N 0.418 109.356 108.800 0.231 0.000 2.484 114 G HA2 -0.210 3.752 3.960 0.004 0.000 0.215 114 G HA3 -0.210 3.752 3.960 0.004 0.000 0.215 114 G C -0.624 174.310 174.900 0.057 0.000 1.219 114 G CA 0.890 46.075 45.100 0.142 0.000 0.791 114 G HN 0.245 nan 8.290 nan 0.000 0.550 115 P HA -0.081 nan 4.420 nan 0.000 0.216 115 P C 1.090 178.395 177.300 0.008 0.000 1.150 115 P CA 1.652 64.766 63.100 0.023 0.000 0.843 115 P CB -0.025 31.691 31.700 0.026 0.000 0.787 116 D N -1.266 119.118 120.400 -0.026 0.000 2.123 116 D HA -0.144 4.498 4.640 0.004 0.000 0.200 116 D C 1.753 177.981 176.300 -0.119 0.000 0.976 116 D CA 0.586 54.562 54.000 -0.040 0.000 0.831 116 D CB -0.606 40.123 40.800 -0.118 0.000 0.974 116 D HN -0.121 nan 8.370 nan 0.000 0.469 117 L N 0.423 121.541 121.223 -0.174 0.000 2.083 117 L HA 0.013 4.356 4.340 0.004 0.000 0.209 117 L C 1.950 178.761 176.870 -0.099 0.000 1.083 117 L CA 1.413 56.155 54.840 -0.163 0.000 0.752 117 L CB -0.528 41.504 42.059 -0.045 0.000 0.899 117 L HN 0.224 nan 8.230 nan 0.000 0.433 118 I N -0.565 119.981 120.570 -0.040 0.000 2.286 118 I HA -0.278 3.894 4.170 0.004 0.000 0.248 118 I C 2.335 178.443 176.117 -0.015 0.000 1.115 118 I CA 1.335 62.625 61.300 -0.017 0.000 1.392 118 I CB -0.269 37.736 38.000 0.007 0.000 1.065 118 I HN 0.356 nan 8.210 nan 0.000 0.418 119 E N 0.212 120.417 120.200 0.008 0.000 2.106 119 E HA -0.232 4.120 4.350 0.004 0.000 0.192 119 E C 2.207 178.819 176.600 0.020 0.000 0.984 119 E CA 0.881 57.334 56.400 0.088 0.000 0.806 119 E CB -0.053 29.782 29.700 0.225 0.000 0.750 119 E HN 0.562 nan 8.360 nan 0.000 0.458 120 Q N 0.480 120.114 119.800 -0.277 0.000 2.050 120 Q HA -0.144 4.198 4.340 0.004 0.000 0.202 120 Q C 2.363 178.222 176.000 -0.235 0.000 0.980 120 Q CA 1.066 56.530 55.803 -0.565 0.000 0.840 120 Q CB -0.091 28.249 28.738 -0.663 0.000 0.898 120 Q HN 0.292 nan 8.270 nan 0.000 0.424 121 L N -0.115 121.022 121.223 -0.144 0.000 2.083 121 L HA -0.144 4.198 4.340 0.004 0.000 0.209 121 L C 2.266 179.113 176.870 -0.038 0.000 1.083 121 L CA 0.954 55.748 54.840 -0.076 0.000 0.752 121 L CB -0.354 41.677 42.059 -0.048 0.000 0.899 121 L HN 0.186 nan 8.230 nan 0.000 0.433 122 A N -1.486 121.322 122.820 -0.020 0.000 2.169 122 A HA -0.062 4.260 4.320 0.004 0.000 0.212 122 A C 1.179 178.776 177.584 0.020 0.000 1.153 122 A CA 0.039 52.079 52.037 0.006 0.000 0.756 122 A CB -0.125 18.885 19.000 0.016 0.000 0.813 122 A HN 0.505 nan 8.150 nan 0.000 0.471 123 Q N 0.295 120.111 119.800 0.027 0.000 2.453 123 Q HA -0.173 4.170 4.340 0.004 0.000 0.294 123 Q C 0.136 176.188 176.000 0.087 0.000 1.295 123 Q CA 0.390 56.236 55.803 0.071 0.000 0.853 123 Q CB -1.918 26.845 28.738 0.041 0.000 1.193 123 Q HN 0.863 nan 8.270 nan 0.000 0.461 124 S N -2.101 113.661 115.700 0.104 0.000 2.713 124 S HA 0.852 5.325 4.470 0.004 0.000 0.283 124 S C 1.129 175.778 174.600 0.082 0.000 1.161 124 S CA -0.205 58.040 58.200 0.074 0.000 0.999 124 S CB 2.071 65.302 63.200 0.052 0.000 1.039 124 S HN 0.891 nan 8.310 nan 0.000 0.548 125 G N 2.082 110.894 108.800 0.021 0.000 2.629 125 G HA2 -0.411 3.552 3.960 0.004 0.000 0.313 125 G HA3 -0.411 3.552 3.960 0.004 0.000 0.313 125 G C 0.610 175.451 174.900 -0.098 0.000 1.217 125 G CA 0.755 45.835 45.100 -0.034 0.000 0.994 125 G HN 1.296 nan 8.290 nan 0.000 0.549 126 K N 0.228 120.479 120.400 -0.248 0.000 2.487 126 K HA 0.237 4.559 4.320 0.004 0.000 0.192 126 K C 1.416 177.760 176.600 -0.426 0.000 1.027 126 K CA 1.449 57.514 56.287 -0.369 0.000 1.054 126 K CB 0.052 32.260 32.500 -0.486 0.000 0.824 126 K HN 0.553 nan 8.250 nan 0.000 0.510 127 Y N 1.587 121.867 120.300 -0.033 0.000 2.485 127 Y HA 0.107 4.660 4.550 0.004 0.000 0.260 127 Y C 2.189 178.070 175.900 -0.031 0.000 1.173 127 Y CA -0.147 57.931 58.100 -0.036 0.000 1.252 127 Y CB 0.523 38.958 38.460 -0.042 0.000 1.123 127 Y HN 0.240 nan 8.280 nan 0.000 0.524 128 S N -0.410 115.331 115.700 0.069 0.000 2.419 128 S HA -0.170 4.303 4.470 0.004 0.000 0.233 128 S C 1.385 176.002 174.600 0.028 0.000 1.016 128 S CA 1.161 59.386 58.200 0.042 0.000 0.974 128 S CB -0.063 63.145 63.200 0.013 0.000 0.786 128 S HN 0.371 nan 8.310 nan 0.000 0.492 129 Q N 0.838 120.651 119.800 0.022 0.000 2.198 129 Q HA 0.316 4.658 4.340 0.004 0.000 0.209 129 Q C -0.755 175.255 176.000 0.016 0.000 0.848 129 Q CA 0.007 55.817 55.803 0.012 0.000 0.974 129 Q CB 0.182 28.920 28.738 0.001 0.000 1.115 129 Q HN 0.525 nan 8.270 nan 0.000 0.494 130 D N 1.928 122.351 120.400 0.039 0.000 2.428 130 D HA 0.015 4.658 4.640 0.004 0.000 0.221 130 D C 0.810 177.102 176.300 -0.013 0.000 1.123 130 D CA -0.194 53.828 54.000 0.037 0.000 0.869 130 D CB 0.586 41.457 40.800 0.119 0.000 1.032 130 D HN 0.029 nan 8.370 nan 0.000 0.506 131 N N 1.779 120.448 118.700 -0.052 0.000 2.571 131 N HA -0.145 4.597 4.740 0.004 0.000 0.189 131 N C 1.025 176.409 175.510 -0.210 0.000 1.154 131 N CA 0.695 53.661 53.050 -0.139 0.000 0.907 131 N CB -0.347 38.060 38.487 -0.133 0.000 0.977 131 N HN 0.315 nan 8.380 nan 0.000 0.449 132 T N -4.365 110.114 114.554 -0.124 0.000 3.107 132 T HA 0.206 4.558 4.350 0.004 0.000 0.249 132 T C 0.619 175.250 174.700 -0.115 0.000 1.096 132 T CA -0.131 61.897 62.100 -0.119 0.000 1.012 132 T CB 0.306 69.132 68.868 -0.071 0.000 0.977 132 T HN -0.137 nan 8.240 nan 0.000 0.527 133 K N 0.721 121.055 120.400 -0.109 0.000 2.450 133 K HA 0.709 5.032 4.320 0.004 0.000 0.248 133 K C 1.335 177.884 176.600 -0.084 0.000 1.056 133 K CA 0.046 56.263 56.287 -0.116 0.000 0.974 133 K CB 0.267 32.691 32.500 -0.128 0.000 1.334 133 K HN 0.277 nan 8.250 nan 0.000 0.516 134 G N 1.604 110.361 108.800 -0.073 0.000 2.583 134 G HA2 -0.374 3.589 3.960 0.004 0.000 0.292 134 G HA3 -0.374 3.589 3.960 0.004 0.000 0.292 134 G C 0.549 175.443 174.900 -0.011 0.000 1.203 134 G CA 0.946 46.029 45.100 -0.029 0.000 0.987 134 G HN 0.706 nan 8.290 nan 0.000 0.554 135 D N 0.920 121.339 120.400 0.032 0.000 2.309 135 D HA 0.223 4.865 4.640 0.004 0.000 0.212 135 D C 2.301 178.642 176.300 0.067 0.000 0.968 135 D CA 2.243 56.277 54.000 0.057 0.000 0.882 135 D CB -0.890 39.960 40.800 0.083 0.000 0.918 135 D HN 1.228 nan 8.370 nan 0.000 0.503 136 A N 0.133 122.971 122.820 0.030 0.000 2.172 136 A HA 0.029 4.351 4.320 0.004 0.000 0.216 136 A C 2.152 179.723 177.584 -0.022 0.000 1.154 136 A CA 0.733 52.761 52.037 -0.014 0.000 0.701 136 A CB -0.664 18.237 19.000 -0.164 0.000 0.789 136 A HN 0.276 nan 8.150 nan 0.000 0.465 137 M N -0.357 119.228 119.600 -0.026 0.000 2.495 137 M HA 0.197 4.679 4.480 0.004 0.000 0.237 137 M C -0.601 175.692 176.300 -0.012 0.000 1.131 137 M CA 0.364 55.647 55.300 -0.029 0.000 1.032 137 M CB 0.303 32.873 32.600 -0.050 0.000 1.513 137 M HN 0.086 nan 8.290 nan 0.000 0.488 138 I N 0.884 121.455 120.570 0.001 0.000 2.330 138 I HA 0.328 4.501 4.170 0.004 0.000 0.289 138 I C 0.674 176.797 176.117 0.010 0.000 1.001 138 I CA -0.647 60.657 61.300 0.006 0.000 1.193 138 I CB 0.653 38.658 38.000 0.009 0.000 1.345 138 I HN -0.006 nan 8.210 nan 0.000 0.461 139 G N 5.674 114.478 108.800 0.006 0.000 2.442 139 G HA2 0.452 4.414 3.960 0.004 0.000 0.249 139 G HA3 0.452 4.414 3.960 0.004 0.000 0.249 139 G C -0.558 174.346 174.900 0.007 0.000 1.263 139 G CA -0.129 44.975 45.100 0.007 0.000 0.846 139 G HN 0.380 nan 8.290 nan 0.000 0.555 140 V N 2.468 122.386 119.914 0.007 0.000 2.524 140 V HA 0.516 4.639 4.120 0.004 0.000 0.297 140 V C -0.155 175.941 176.094 0.003 0.000 1.035 140 V CA -0.815 61.488 62.300 0.005 0.000 0.867 140 V CB 1.754 33.581 31.823 0.006 0.000 1.004 140 V HN 0.819 nan 8.190 nan 0.000 0.426 141 K N 3.429 123.830 120.400 0.001 0.000 2.541 141 K HA 0.448 4.770 4.320 0.004 0.000 0.250 141 K C -0.627 175.972 176.600 -0.001 0.000 0.950 141 K CA -0.720 55.568 56.287 0.000 0.000 0.805 141 K CB 1.734 34.234 32.500 0.001 0.000 1.166 141 K HN 0.605 nan 8.250 nan 0.000 0.430 142 Q N 3.532 123.330 119.800 -0.002 0.000 2.361 142 Q HA 0.069 4.412 4.340 0.004 0.000 0.276 142 Q C -2.036 173.962 176.000 -0.003 0.000 1.022 142 Q CA -1.177 54.624 55.803 -0.003 0.000 0.898 142 Q CB 0.744 29.479 28.738 -0.005 0.000 1.246 142 Q HN 0.438 nan 8.270 nan 0.000 0.410 143 P HA 0.208 nan 4.420 nan 0.000 0.220 143 P C -0.748 176.550 177.300 -0.003 0.000 1.806 143 P CA 0.300 63.398 63.100 -0.002 0.000 0.976 143 P CB -0.082 31.617 31.700 -0.002 0.000 1.952 144 L N 1.518 122.739 121.223 -0.003 0.000 2.409 144 L HA 0.511 4.853 4.340 0.004 0.000 0.262 144 L C -2.411 174.457 176.870 -0.003 0.000 0.992 144 L CA -2.844 51.994 54.840 -0.003 0.000 0.817 144 L CB 2.494 44.550 42.059 -0.004 0.000 1.350 144 L HN -0.153 nan 8.230 nan 0.000 0.411 145 P HA 0.099 nan 4.420 nan 0.000 0.263 145 P C -0.506 176.793 177.300 -0.003 0.000 1.195 145 P CA 0.097 63.196 63.100 -0.003 0.000 0.762 145 P CB 0.322 32.020 31.700 -0.003 0.000 0.799 146 K N -0.531 119.868 120.400 -0.002 0.000 3.446 146 K HA -0.167 4.155 4.320 0.004 0.000 0.312 146 K C 0.463 177.061 176.600 -0.002 0.000 1.329 146 K CA 0.664 56.950 56.287 -0.002 0.000 0.935 146 K CB -2.062 30.436 32.500 -0.003 0.000 1.281 146 K HN 0.644 nan 8.250 nan 0.000 0.457 147 A N 0.892 123.710 122.820 -0.002 0.000 2.466 147 A HA 0.425 4.747 4.320 0.004 0.000 0.238 147 A C 0.385 177.968 177.584 -0.001 0.000 1.074 147 A CA 0.035 52.071 52.037 -0.002 0.000 0.774 147 A CB 0.660 19.659 19.000 -0.002 0.000 1.015 147 A HN 0.092 nan 8.150 nan 0.000 0.498 148 V N 2.873 122.786 119.914 -0.001 0.000 2.487 148 V HA 0.275 4.398 4.120 0.004 0.000 0.298 148 V C -0.100 175.995 176.094 0.001 0.000 1.028 148 V CA -0.657 61.643 62.300 0.000 0.000 0.860 148 V CB 1.377 33.200 31.823 0.000 0.000 0.991 148 V HN 0.886 nan 8.190 nan 0.000 0.427 149 L N 7.206 128.430 121.223 0.002 0.000 2.540 149 L HA 0.317 4.659 4.340 0.004 0.000 0.276 149 L C 0.555 177.428 176.870 0.006 0.000 1.212 149 L CA 0.970 55.812 54.840 0.003 0.000 0.893 149 L CB -0.118 41.943 42.059 0.003 0.000 1.138 149 L HN 0.896 nan 8.230 nan 0.000 0.491 150 R N 1.918 122.423 120.500 0.008 0.000 3.080 150 R HA 0.779 5.122 4.340 0.004 0.000 0.248 150 R C -0.910 175.401 176.300 0.018 0.000 1.324 150 R CA -0.274 55.834 56.100 0.014 0.000 1.036 150 R CB 0.739 31.047 30.300 0.013 0.000 1.360 150 R HN 0.557 nan 8.270 nan 0.000 0.479 151 T N -2.977 111.596 114.554 0.031 0.000 2.940 151 T HA 0.135 4.488 4.350 0.004 0.000 0.288 151 T C 0.742 175.468 174.700 0.044 0.000 1.045 151 T CA -0.683 61.441 62.100 0.040 0.000 1.018 151 T CB 1.955 70.858 68.868 0.059 0.000 1.151 151 T HN 0.632 nan 8.240 nan 0.000 0.529 152 Q N -0.284 119.543 119.800 0.045 0.000 2.167 152 Q HA -0.113 4.229 4.340 0.004 0.000 0.202 152 Q C 1.894 177.919 176.000 0.042 0.000 0.970 152 Q CA 2.034 57.857 55.803 0.033 0.000 0.855 152 Q CB -0.753 28.001 28.738 0.027 0.000 0.911 152 Q HN 0.951 nan 8.270 nan 0.000 0.438 153 H N -0.370 118.693 119.070 -0.012 0.000 2.319 153 H HA -0.119 4.440 4.556 0.004 0.000 0.299 153 H C 1.481 176.804 175.328 -0.009 0.000 1.092 153 H CA 2.171 58.211 56.048 -0.013 0.000 1.302 153 H CB -0.254 29.500 29.762 -0.014 0.000 1.373 153 H HN 0.417 nan 8.280 nan 0.000 0.497 154 D N -0.399 120.027 120.400 0.043 0.000 2.144 154 D HA -0.138 4.505 4.640 0.004 0.000 0.199 154 D C 2.174 178.444 176.300 -0.051 0.000 0.984 154 D CA 1.175 55.171 54.000 -0.007 0.000 0.834 154 D CB -0.076 40.749 40.800 0.041 0.000 0.955 154 D HN 0.335 nan 8.370 nan 0.000 0.465 155 K N -0.066 120.313 120.400 -0.036 0.000 2.103 155 K HA -0.058 4.265 4.320 0.004 0.000 0.204 155 K C 1.741 178.304 176.600 -0.061 0.000 1.052 155 K CA 1.025 57.289 56.287 -0.038 0.000 0.945 155 K CB -0.062 32.425 32.500 -0.022 0.000 0.722 155 K HN 0.185 nan 8.250 nan 0.000 0.443 156 N N 0.413 119.062 118.700 -0.086 0.000 2.289 156 N HA -0.129 4.614 4.740 0.004 0.000 0.184 156 N C 1.275 176.715 175.510 -0.116 0.000 1.016 156 N CA 0.857 53.849 53.050 -0.096 0.000 0.872 156 N CB 0.093 38.514 38.487 -0.109 0.000 0.973 156 N HN 0.154 nan 8.380 nan 0.000 0.433 157 K N 1.002 121.307 120.400 -0.159 0.000 2.362 157 K HA -0.067 4.255 4.320 0.004 0.000 0.200 157 K C 1.251 177.815 176.600 -0.061 0.000 1.046 157 K CA 0.709 56.918 56.287 -0.130 0.000 0.952 157 K CB 0.124 32.536 32.500 -0.146 0.000 0.753 157 K HN 0.312 nan 8.250 nan 0.000 0.466 158 E N 0.193 120.361 120.200 -0.053 0.000 2.338 158 E HA -0.057 4.295 4.350 0.004 0.000 0.197 158 E C -0.051 176.534 176.600 -0.025 0.000 1.007 158 E CA 0.273 56.653 56.400 -0.034 0.000 0.849 158 E CB 0.252 29.930 29.700 -0.036 0.000 0.774 158 E HN 0.177 nan 8.360 nan 0.000 0.506 159 A N 1.339 124.145 122.820 -0.023 0.000 2.332 159 A HA 0.530 4.853 4.320 0.004 0.000 0.300 159 A C -0.707 176.901 177.584 0.040 0.000 1.153 159 A CA -0.563 51.469 52.037 -0.009 0.000 0.764 159 A CB 0.616 19.588 19.000 -0.047 0.000 1.174 159 A HN 0.040 nan 8.150 nan 0.000 0.467 160 I N 2.806 123.430 120.570 0.090 0.000 2.362 160 I HA 0.458 4.630 4.170 0.004 0.000 0.289 160 I C 0.514 176.762 176.117 0.218 0.000 0.994 160 I CA -0.265 61.124 61.300 0.150 0.000 1.158 160 I CB 2.029 40.119 38.000 0.150 0.000 1.315 160 I HN 0.690 nan 8.210 nan 0.000 0.451 161 S N 5.739 121.585 115.700 0.243 0.000 2.638 161 S HA 0.529 5.002 4.470 0.004 0.000 0.302 161 S C 0.997 175.727 174.600 0.216 0.000 1.096 161 S CA -0.909 57.433 58.200 0.237 0.000 0.953 161 S CB 1.584 64.945 63.200 0.269 0.000 1.107 161 S HN 0.680 nan 8.310 nan 0.000 0.503 162 I N -0.585 120.022 120.570 0.063 0.000 2.423 162 I HA -0.057 4.116 4.170 0.004 0.000 0.254 162 I C 1.509 177.687 176.117 0.101 0.000 1.151 162 I CA 1.281 62.597 61.300 0.026 0.000 1.421 162 I CB -0.645 37.230 38.000 -0.208 0.000 1.079 162 I HN 0.566 nan 8.210 nan 0.000 0.431 163 L N 0.980 122.233 121.223 0.049 0.000 2.622 163 L HA -0.011 4.331 4.340 0.004 0.000 0.233 163 L C 1.287 178.170 176.870 0.023 0.000 1.156 163 L CA 0.469 55.332 54.840 0.039 0.000 0.866 163 L CB -0.782 41.303 42.059 0.043 0.000 0.980 163 L HN 0.269 nan 8.230 nan 0.000 0.448 164 D N -0.050 120.366 120.400 0.027 0.000 2.349 164 D HA -0.018 4.625 4.640 0.004 0.000 0.224 164 D C 0.816 176.719 176.300 -0.662 0.000 1.029 164 D CA 0.928 54.758 54.000 -0.284 0.000 0.879 164 D CB 0.313 40.887 40.800 -0.377 0.000 0.906 164 D HN 0.317 nan 8.370 nan 0.000 0.528 165 F N -0.576 119.356 119.950 -0.030 0.000 2.775 165 F HA 0.297 4.827 4.527 0.004 0.000 0.313 165 F C 1.274 177.053 175.800 -0.035 0.000 1.121 165 F CA -0.404 57.573 58.000 -0.037 0.000 1.206 165 F CB 0.938 39.904 39.000 -0.057 0.000 1.052 165 F HN -0.134 nan 8.300 nan 0.000 0.524 166 G N 1.372 110.200 108.800 0.048 0.000 2.248 166 G HA2 -0.201 3.761 3.960 0.004 0.000 0.252 166 G HA3 -0.201 3.761 3.960 0.004 0.000 0.252 166 G C -0.282 174.646 174.900 0.047 0.000 1.085 166 G CA -0.219 44.904 45.100 0.037 0.000 0.845 166 G HN 0.136 nan 8.290 nan 0.000 0.494 167 V N 1.558 121.499 119.914 0.045 0.000 2.686 167 V HA 0.420 4.542 4.120 0.004 0.000 0.295 167 V C 0.857 176.996 176.094 0.074 0.000 1.055 167 V CA -0.424 61.904 62.300 0.046 0.000 1.050 167 V CB 1.436 33.259 31.823 -0.000 0.000 0.984 167 V HN 0.334 nan 8.190 nan 0.000 0.482 168 I N 3.748 124.371 120.570 0.089 0.000 2.359 168 I HA 0.263 4.435 4.170 0.004 0.000 0.284 168 I C 0.017 176.204 176.117 0.117 0.000 1.018 168 I CA -0.373 60.979 61.300 0.086 0.000 1.173 168 I CB 1.016 39.054 38.000 0.063 0.000 1.326 168 I HN 0.578 nan 8.210 nan 0.000 0.462 169 D N 5.181 125.657 120.400 0.127 0.000 2.741 169 D HA 0.108 4.750 4.640 0.004 0.000 0.233 169 D C 0.638 176.962 176.300 0.039 0.000 1.160 169 D CA -0.051 54.022 54.000 0.121 0.000 1.003 169 D CB 0.275 41.170 40.800 0.159 0.000 1.064 169 D HN 0.453 nan 8.370 nan 0.000 0.503 170 D N 0.223 120.645 120.400 0.036 0.000 2.431 170 D HA 0.158 4.801 4.640 0.004 0.000 0.213 170 D C 1.524 177.826 176.300 0.004 0.000 1.130 170 D CA 0.114 54.123 54.000 0.017 0.000 0.834 170 D CB -0.147 40.668 40.800 0.025 0.000 0.985 170 D HN 0.268 nan 8.370 nan 0.000 0.504 171 G N -0.347 108.450 108.800 -0.005 0.000 2.168 171 G HA2 -0.315 3.648 3.960 0.004 0.000 0.263 171 G HA3 -0.315 3.648 3.960 0.004 0.000 0.263 171 G C 0.781 175.685 174.900 0.007 0.000 0.977 171 G CA 0.722 45.815 45.100 -0.013 0.000 0.659 171 G HN 0.427 nan 8.290 nan 0.000 0.533 172 V N -0.957 118.970 119.914 0.022 0.000 3.177 172 V HA 0.191 4.314 4.120 0.004 0.000 0.220 172 V C 1.595 177.711 176.094 0.038 0.000 1.395 172 V CA 1.204 63.519 62.300 0.025 0.000 1.317 172 V CB -0.000 31.834 31.823 0.019 0.000 1.148 172 V HN 0.295 nan 8.190 nan 0.000 0.499 173 T N 2.513 117.094 114.554 0.045 0.000 2.934 173 T HA 0.015 4.367 4.350 0.004 0.000 0.306 173 T C -0.151 174.590 174.700 0.069 0.000 1.042 173 T CA 0.625 62.757 62.100 0.053 0.000 1.145 173 T CB 0.190 69.092 68.868 0.056 0.000 0.982 173 T HN 0.314 nan 8.240 nan 0.000 0.544 174 D N 2.704 123.146 120.400 0.070 0.000 2.344 174 D HA 0.025 4.668 4.640 0.004 0.000 0.253 174 D C 0.545 176.908 176.300 0.106 0.000 1.255 174 D CA -0.155 53.899 54.000 0.090 0.000 0.894 174 D CB 0.191 41.041 40.800 0.084 0.000 1.067 174 D HN 0.321 nan 8.370 nan 0.000 0.492 175 N N 3.386 122.153 118.700 0.111 0.000 2.276 175 N HA -0.089 4.654 4.740 0.004 0.000 0.212 175 N C 1.070 176.615 175.510 0.059 0.000 1.127 175 N CA -0.177 52.921 53.050 0.080 0.000 0.834 175 N CB 0.088 38.621 38.487 0.078 0.000 1.014 175 N HN 0.553 nan 8.380 nan 0.000 0.491 176 Y N 2.179 122.488 120.300 0.014 0.000 2.081 176 Y HA -0.337 4.215 4.550 0.004 0.000 0.280 176 Y C 2.538 178.432 175.900 -0.009 0.000 1.163 176 Y CA 2.109 60.209 58.100 0.000 0.000 1.135 176 Y CB -0.129 38.332 38.460 0.002 0.000 0.970 176 Y HN 0.015 nan 8.280 nan 0.000 0.498 177 Q N 0.493 120.144 119.800 -0.248 0.000 2.079 177 Q HA -0.063 4.279 4.340 0.004 0.000 0.200 177 Q C 2.387 178.231 176.000 -0.259 0.000 0.974 177 Q CA 1.939 57.528 55.803 -0.356 0.000 0.840 177 Q CB -0.721 27.994 28.738 -0.039 0.000 0.898 177 Q HN 0.587 nan 8.270 nan 0.000 0.430 178 A N 0.106 122.852 122.820 -0.124 0.000 1.877 178 A HA -0.145 4.178 4.320 0.004 0.000 0.216 178 A C 2.099 179.603 177.584 -0.134 0.000 1.186 178 A CA 1.566 53.569 52.037 -0.057 0.000 0.620 178 A CB -0.725 18.278 19.000 0.006 0.000 0.822 178 A HN 0.463 nan 8.150 nan 0.000 0.443 179 I N -1.046 119.410 120.570 -0.189 0.000 2.353 179 I HA -0.228 3.945 4.170 0.004 0.000 0.248 179 I C 2.707 178.646 176.117 -0.296 0.000 1.119 179 I CA 1.572 62.739 61.300 -0.222 0.000 1.417 179 I CB -0.279 37.617 38.000 -0.173 0.000 1.078 179 I HN 0.375 nan 8.210 nan 0.000 0.421 180 Q N 1.437 120.998 119.800 -0.399 0.000 2.124 180 Q HA -0.199 4.143 4.340 0.004 0.000 0.202 180 Q C 1.869 177.667 176.000 -0.336 0.000 0.977 180 Q CA 1.785 57.350 55.803 -0.397 0.000 0.850 180 Q CB -0.142 28.212 28.738 -0.641 0.000 0.901 180 Q HN 0.394 nan 8.270 nan 0.000 0.429 181 N N -0.117 118.383 118.700 -0.333 0.000 2.120 181 N HA -0.108 4.634 4.740 0.004 0.000 0.188 181 N C 1.432 176.539 175.510 -0.671 0.000 1.024 181 N CA 1.452 54.313 53.050 -0.316 0.000 0.852 181 N CB -0.613 37.795 38.487 -0.131 0.000 1.003 181 N HN 0.393 nan 8.380 nan 0.000 0.424 182 A N 1.114 123.375 122.820 -0.932 0.000 1.902 182 A HA -0.056 4.267 4.320 0.004 0.000 0.217 182 A C 2.335 179.506 177.584 -0.688 0.000 1.181 182 A CA 0.902 52.079 52.037 -1.434 0.000 0.623 182 A CB -0.692 17.844 19.000 -0.773 0.000 0.818 182 A HN 0.205 nan 8.150 nan 0.000 0.443 183 I N 0.041 120.367 120.570 -0.405 0.000 2.163 183 I HA -0.267 3.906 4.170 0.004 0.000 0.243 183 I C 1.832 177.821 176.117 -0.214 0.000 1.085 183 I CA 1.652 62.810 61.300 -0.237 0.000 1.347 183 I CB -0.471 37.429 38.000 -0.167 0.000 1.044 183 I HN 0.246 nan 8.210 nan 0.000 0.408 184 D N 0.935 121.196 120.400 -0.230 0.000 2.178 184 D HA -0.142 4.501 4.640 0.004 0.000 0.201 184 D C 2.210 178.424 176.300 -0.144 0.000 0.980 184 D CA 1.429 55.333 54.000 -0.159 0.000 0.842 184 D CB -0.182 40.536 40.800 -0.137 0.000 0.948 184 D HN 0.378 nan 8.370 nan 0.000 0.472 185 A N 0.518 123.205 122.820 -0.221 0.000 1.877 185 A HA -0.132 4.191 4.320 0.004 0.000 0.216 185 A C 2.507 180.055 177.584 -0.060 0.000 1.186 185 A CA 1.179 53.150 52.037 -0.111 0.000 0.620 185 A CB -0.717 18.225 19.000 -0.096 0.000 0.822 185 A HN 0.151 nan 8.150 nan 0.000 0.443 186 V N -0.090 119.765 119.914 -0.098 0.000 2.407 186 V HA -0.222 3.900 4.120 0.004 0.000 0.248 186 V C 2.992 179.052 176.094 -0.056 0.000 1.055 186 V CA 1.786 64.054 62.300 -0.055 0.000 1.049 186 V CB -1.177 30.609 31.823 -0.061 0.000 0.662 186 V HN 0.604 nan 8.190 nan 0.000 0.455 187 A N 0.691 123.469 122.820 -0.070 0.000 2.019 187 A HA -0.180 4.142 4.320 0.004 0.000 0.219 187 A C 2.480 180.037 177.584 -0.045 0.000 1.164 187 A CA 1.892 53.894 52.037 -0.058 0.000 0.644 187 A CB -0.610 18.353 19.000 -0.062 0.000 0.805 187 A HN 0.694 nan 8.150 nan 0.000 0.449 188 S N -0.475 115.203 115.700 -0.037 0.000 2.481 188 S HA 0.121 4.594 4.470 0.004 0.000 0.231 188 S C 0.657 175.248 174.600 -0.016 0.000 0.996 188 S CA -0.062 58.125 58.200 -0.021 0.000 0.942 188 S CB -0.715 62.480 63.200 -0.008 0.000 0.768 188 S HN 0.400 nan 8.310 nan 0.000 0.520 189 L N 1.846 123.058 121.223 -0.019 0.000 2.416 189 L HA 0.252 4.595 4.340 0.004 0.000 0.272 189 L C -1.323 175.532 176.870 -0.026 0.000 1.161 189 L CA -1.791 53.038 54.840 -0.017 0.000 0.845 189 L CB 0.174 42.223 42.059 -0.017 0.000 1.119 189 L HN 0.017 nan 8.230 nan 0.000 0.464 190 P HA -0.141 nan 4.420 nan 0.000 0.216 190 P C 0.773 178.051 177.300 -0.038 0.000 1.150 190 P CA 1.194 64.278 63.100 -0.027 0.000 0.843 190 P CB 0.300 31.987 31.700 -0.023 0.000 0.787 191 S N -1.936 113.740 115.700 -0.041 0.000 2.663 191 S HA 0.473 4.945 4.470 0.004 0.000 0.243 191 S C 0.890 175.451 174.600 -0.066 0.000 1.009 191 S CA 0.143 58.311 58.200 -0.054 0.000 0.988 191 S CB 0.064 63.235 63.200 -0.048 0.000 0.896 191 S HN 0.409 nan 8.310 nan 0.000 0.502 192 G N 1.083 109.847 108.800 -0.060 0.000 2.575 192 G HA2 0.157 4.119 3.960 0.004 0.000 0.267 192 G HA3 0.157 4.119 3.960 0.004 0.000 0.267 192 G C 0.134 174.995 174.900 -0.065 0.000 1.264 192 G CA -0.242 44.816 45.100 -0.071 0.000 0.935 192 G HN 1.299 nan 8.290 nan 0.000 0.568 193 G N -1.720 107.029 108.800 -0.085 0.000 2.336 193 G HA2 0.580 4.543 3.960 0.004 0.000 0.286 193 G HA3 0.580 4.543 3.960 0.004 0.000 0.286 193 G C -1.147 173.700 174.900 -0.088 0.000 1.269 193 G CA 0.627 45.689 45.100 -0.063 0.000 0.873 193 G HN 1.233 nan 8.290 nan 0.000 0.494 194 E N -0.515 119.669 120.200 -0.026 0.000 2.166 194 E HA 0.582 4.934 4.350 0.004 0.000 0.275 194 E C -1.263 175.370 176.600 0.055 0.000 0.941 194 E CA -0.758 55.644 56.400 0.004 0.000 0.784 194 E CB 1.715 31.485 29.700 0.117 0.000 1.115 194 E HN 0.465 nan 8.360 nan 0.000 0.399 195 L N 5.665 126.923 121.223 0.058 0.000 2.282 195 L HA 0.431 4.774 4.340 0.004 0.000 0.288 195 L C -1.379 175.605 176.870 0.190 0.000 1.033 195 L CA -0.429 54.465 54.840 0.089 0.000 0.807 195 L CB 0.860 42.925 42.059 0.011 0.000 1.209 195 L HN 0.501 nan 8.230 nan 0.000 0.423 196 F N 6.140 126.118 119.950 0.047 0.000 2.404 196 F HA 0.568 5.098 4.527 0.004 0.000 0.339 196 F C -0.307 175.518 175.800 0.042 0.000 1.105 196 F CA -0.977 57.060 58.000 0.061 0.000 1.087 196 F CB 0.846 39.885 39.000 0.064 0.000 1.143 196 F HN 0.333 nan 8.300 nan 0.000 0.491 197 I N 8.373 128.588 120.570 -0.591 0.000 2.371 197 I HA 0.269 4.441 4.170 0.004 0.000 0.282 197 I C -2.336 173.237 176.117 -0.907 0.000 1.031 197 I CA -2.024 58.951 61.300 -0.542 0.000 1.180 197 I CB 1.030 38.901 38.000 -0.215 0.000 1.336 197 I HN 0.401 nan 8.210 nan 0.000 0.467 198 P HA 0.072 nan 4.420 nan 0.000 0.272 198 P C -0.202 177.071 177.300 -0.045 0.000 1.230 198 P CA -0.376 62.457 63.100 -0.445 0.000 0.788 198 P CB 0.608 32.280 31.700 -0.046 0.000 0.949 199 A N 1.862 124.695 122.820 0.022 0.000 2.566 199 A HA 0.163 4.485 4.320 0.004 0.000 0.245 199 A C 0.899 178.500 177.584 0.028 0.000 1.056 199 A CA 0.405 52.465 52.037 0.040 0.000 0.757 199 A CB -0.816 18.211 19.000 0.045 0.000 0.979 199 A HN 0.502 nan 8.150 nan 0.000 0.508 200 S N 1.520 117.142 115.700 -0.130 0.000 2.579 200 S HA 0.050 4.523 4.470 0.004 0.000 0.275 200 S C 0.972 175.464 174.600 -0.179 0.000 1.345 200 S CA -0.281 57.686 58.200 -0.389 0.000 1.031 200 S CB 0.253 62.934 63.200 -0.865 0.000 0.892 200 S HN 0.757 nan 8.310 nan 0.000 0.529 201 N N 1.942 120.558 118.700 -0.140 0.000 2.313 201 N HA 0.155 4.897 4.740 0.004 0.000 0.207 201 N C -0.893 174.566 175.510 -0.085 0.000 1.141 201 N CA 0.057 53.064 53.050 -0.072 0.000 0.830 201 N CB 0.059 38.532 38.487 -0.025 0.000 1.008 201 N HN 0.476 nan 8.380 nan 0.000 0.481 202 Q N -0.736 118.981 119.800 -0.139 0.000 2.356 202 Q HA 0.415 4.758 4.340 0.004 0.000 0.270 202 Q C 0.309 176.242 176.000 -0.111 0.000 1.058 202 Q CA -0.492 55.244 55.803 -0.112 0.000 0.802 202 Q CB 1.719 30.380 28.738 -0.127 0.000 1.303 202 Q HN 0.092 nan 8.270 nan 0.000 0.444 203 A N 1.988 124.767 122.820 -0.069 0.000 1.978 203 A HA -0.143 4.179 4.320 0.004 0.000 0.220 203 A C 1.567 179.116 177.584 -0.057 0.000 1.170 203 A CA 2.218 54.223 52.037 -0.054 0.000 0.636 203 A CB -0.524 18.456 19.000 -0.033 0.000 0.810 203 A HN 0.572 nan 8.150 nan 0.000 0.448 204 V N -3.509 116.369 119.914 -0.060 0.000 3.306 204 V HA 0.457 4.579 4.120 0.004 0.000 0.264 204 V C 1.331 177.382 176.094 -0.071 0.000 1.149 204 V CA 0.521 62.792 62.300 -0.048 0.000 1.143 204 V CB -1.620 30.184 31.823 -0.031 0.000 0.767 204 V HN 1.721 nan 8.190 nan 0.000 0.476 205 G N -0.063 108.650 108.800 -0.146 0.000 2.632 205 G HA2 -0.246 3.716 3.960 0.004 0.000 0.224 205 G HA3 -0.246 3.716 3.960 0.004 0.000 0.224 205 G C -0.703 174.040 174.900 -0.260 0.000 1.341 205 G CA -0.033 44.917 45.100 -0.249 0.000 0.880 205 G HN 0.571 nan 8.290 nan 0.000 0.566 206 Y N 0.242 120.545 120.300 0.004 0.000 2.365 206 Y HA 0.524 5.076 4.550 0.004 0.000 0.340 206 Y C 1.162 177.072 175.900 0.017 0.000 1.016 206 Y CA -0.911 57.194 58.100 0.009 0.000 1.196 206 Y CB 0.839 39.301 38.460 0.002 0.000 1.167 206 Y HN 0.377 nan 8.280 nan 0.000 0.509 207 I N 5.330 125.990 120.570 0.151 0.000 2.474 207 I HA 0.242 4.414 4.170 0.004 0.000 0.287 207 I C 0.054 176.241 176.117 0.118 0.000 1.048 207 I CA -0.657 60.705 61.300 0.103 0.000 1.383 207 I CB 0.673 38.716 38.000 0.071 0.000 1.412 207 I HN 0.377 nan 8.210 nan 0.000 0.531 208 V N 2.151 122.127 119.914 0.104 0.000 2.709 208 V HA 0.837 4.960 4.120 0.004 0.000 0.308 208 V C 0.427 176.571 176.094 0.083 0.000 1.062 208 V CA -0.562 61.812 62.300 0.125 0.000 0.901 208 V CB 1.383 33.295 31.823 0.148 0.000 1.003 208 V HN 0.812 nan 8.190 nan 0.000 0.425 209 G N 2.099 110.943 108.800 0.073 0.000 3.020 209 G HA2 0.468 4.430 3.960 0.004 0.000 0.217 209 G HA3 0.468 4.430 3.960 0.004 0.000 0.217 209 G C 0.356 175.201 174.900 -0.092 0.000 1.144 209 G CA 0.464 45.562 45.100 -0.003 0.000 0.760 209 G HN 0.801 nan 8.290 nan 0.000 0.548 210 S N -0.694 114.912 115.700 -0.158 0.000 2.588 210 S HA 0.476 4.948 4.470 0.004 0.000 0.275 210 S C -0.437 174.090 174.600 -0.122 0.000 1.130 210 S CA -0.568 57.448 58.200 -0.307 0.000 0.855 210 S CB 1.655 64.352 63.200 -0.838 0.000 1.116 210 S HN 0.054 nan 8.310 nan 0.000 0.472 211 T N 2.574 117.079 114.554 -0.081 0.000 2.908 211 T HA 0.153 4.505 4.350 0.004 0.000 0.301 211 T C -0.052 174.738 174.700 0.149 0.000 1.019 211 T CA 0.311 62.425 62.100 0.024 0.000 1.152 211 T CB -0.403 68.465 68.868 -0.001 0.000 0.966 211 T HN 0.305 nan 8.240 nan 0.000 0.540 212 L N 4.063 125.375 121.223 0.148 0.000 2.281 212 L HA 0.390 4.733 4.340 0.004 0.000 0.285 212 L C 0.018 176.930 176.870 0.069 0.000 1.074 212 L CA -0.850 54.074 54.840 0.139 0.000 0.817 212 L CB 0.768 42.870 42.059 0.072 0.000 1.168 212 L HN 0.426 nan 8.230 nan 0.000 0.434 213 L N 5.637 126.897 121.223 0.061 0.000 2.276 213 L HA 0.410 4.752 4.340 0.004 0.000 0.286 213 L C -0.350 176.521 176.870 0.002 0.000 1.061 213 L CA 0.006 54.859 54.840 0.021 0.000 0.807 213 L CB 0.794 42.862 42.059 0.016 0.000 1.177 213 L HN 0.316 nan 8.230 nan 0.000 0.429 214 I N 7.611 128.189 120.570 0.013 0.000 2.307 214 I HA 0.352 4.524 4.170 0.004 0.000 0.287 214 I C -2.073 174.067 176.117 0.040 0.000 1.054 214 I CA -2.375 58.949 61.300 0.040 0.000 1.218 214 I CB 0.405 38.468 38.000 0.104 0.000 1.398 214 I HN 0.443 nan 8.210 nan 0.000 0.475 215 P HA 0.146 nan 4.420 nan 0.000 0.273 215 P C 0.522 177.828 177.300 0.010 0.000 1.250 215 P CA -0.265 62.819 63.100 -0.026 0.000 0.793 215 P CB 0.616 32.287 31.700 -0.048 0.000 1.011 216 G N -0.551 108.241 108.800 -0.012 0.000 2.414 216 G HA2 0.295 4.257 3.960 0.004 0.000 0.236 216 G HA3 0.295 4.257 3.960 0.004 0.000 0.236 216 G C 1.020 175.896 174.900 -0.041 0.000 1.293 216 G CA 0.315 45.414 45.100 -0.002 0.000 0.869 216 G HN 0.869 nan 8.290 nan 0.000 0.556 217 G N -0.066 108.684 108.800 -0.083 0.000 2.225 217 G HA2 -0.231 3.732 3.960 0.004 0.000 0.254 217 G HA3 -0.231 3.732 3.960 0.004 0.000 0.254 217 G C 0.382 175.192 174.900 -0.151 0.000 0.988 217 G CA 0.380 45.402 45.100 -0.131 0.000 0.625 217 G HN 1.364 nan 8.290 nan 0.000 0.527 218 V N 2.299 122.152 119.914 -0.102 0.000 2.432 218 V HA 0.487 4.609 4.120 0.004 0.000 0.271 218 V C -0.005 176.004 176.094 -0.141 0.000 1.046 218 V CA -0.821 61.422 62.300 -0.095 0.000 0.945 218 V CB 1.328 33.132 31.823 -0.033 0.000 0.992 218 V HN 0.361 nan 8.190 nan 0.000 0.471 219 N N 4.790 123.327 118.700 -0.271 0.000 2.384 219 N HA 0.693 5.436 4.740 0.004 0.000 0.301 219 N C -0.820 174.558 175.510 -0.220 0.000 1.133 219 N CA -0.484 52.279 53.050 -0.480 0.000 0.853 219 N CB 2.539 40.314 38.487 -1.186 0.000 1.241 219 N HN 0.494 nan 8.380 nan 0.000 0.502 220 I N 0.428 120.968 120.570 -0.050 0.000 2.533 220 I HA 0.429 4.601 4.170 0.004 0.000 0.290 220 I C -0.127 176.171 176.117 0.302 0.000 1.056 220 I CA -0.718 60.664 61.300 0.137 0.000 1.057 220 I CB 2.573 40.659 38.000 0.145 0.000 1.240 220 I HN 0.207 nan 8.210 nan 0.000 0.423 221 R N 3.403 124.098 120.500 0.326 0.000 2.686 221 R HA 0.810 5.152 4.340 0.004 0.000 0.286 221 R C -0.726 175.768 176.300 0.322 0.000 0.969 221 R CA -0.411 55.917 56.100 0.380 0.000 0.898 221 R CB 2.369 32.930 30.300 0.435 0.000 1.183 221 R HN 0.868 nan 8.270 nan 0.000 0.456 222 G N 0.261 109.213 108.800 0.253 0.000 3.222 222 G HA2 0.399 4.361 3.960 0.004 0.000 0.263 222 G HA3 0.399 4.361 3.960 0.004 0.000 0.263 222 G C -0.314 174.726 174.900 0.232 0.000 1.312 222 G CA -0.161 45.020 45.100 0.135 0.000 0.934 222 G HN 0.542 nan 8.290 nan 0.000 0.577 223 V N -2.755 117.251 119.914 0.153 0.000 3.070 223 V HA 0.670 4.792 4.120 0.004 0.000 0.345 223 V C 0.877 177.038 176.094 0.111 0.000 1.403 223 V CA 0.809 63.208 62.300 0.165 0.000 1.155 223 V CB -0.540 31.395 31.823 0.188 0.000 1.140 223 V HN 2.303 nan 8.190 nan 0.000 0.505 224 G N 2.338 111.200 108.800 0.103 0.000 2.418 224 G HA2 -0.207 3.756 3.960 0.004 0.000 0.206 224 G HA3 -0.207 3.756 3.960 0.004 0.000 0.206 224 G C 0.569 175.513 174.900 0.073 0.000 1.202 224 G CA 0.151 45.303 45.100 0.087 0.000 1.061 224 G HN 0.790 nan 8.290 nan 0.000 0.563 225 K N 0.358 120.793 120.400 0.058 0.000 2.280 225 K HA 0.274 4.597 4.320 0.004 0.000 0.202 225 K C 2.320 178.938 176.600 0.029 0.000 1.047 225 K CA 2.258 58.572 56.287 0.045 0.000 0.942 225 K CB -0.207 32.314 32.500 0.034 0.000 0.739 225 K HN 1.214 nan 8.250 nan 0.000 0.457 226 A N 1.064 123.900 122.820 0.025 0.000 2.067 226 A HA 0.048 4.370 4.320 0.004 0.000 0.217 226 A C 1.028 178.615 177.584 0.006 0.000 1.156 226 A CA 0.577 52.614 52.037 -0.000 0.000 0.683 226 A CB -0.032 18.970 19.000 0.003 0.000 0.808 226 A HN 0.274 nan 8.150 nan 0.000 0.455 227 S N 0.927 116.655 115.700 0.047 0.000 4.087 227 S HA 0.263 4.735 4.470 0.004 0.000 0.213 227 S C -0.110 174.557 174.600 0.111 0.000 1.415 227 S CA -0.245 58.006 58.200 0.086 0.000 0.893 227 S CB -0.285 62.938 63.200 0.038 0.000 1.529 227 S HN 0.619 nan 8.310 nan 0.000 0.457 228 Q N 2.863 122.734 119.800 0.117 0.000 2.322 228 Q HA 0.508 4.850 4.340 0.004 0.000 0.265 228 Q C -1.431 174.661 176.000 0.154 0.000 0.985 228 Q CA -0.649 55.207 55.803 0.088 0.000 0.849 228 Q CB 0.795 29.540 28.738 0.012 0.000 1.274 228 Q HN 0.482 nan 8.270 nan 0.000 0.449 229 L N 4.354 125.651 121.223 0.124 0.000 2.280 229 L HA 0.589 4.932 4.340 0.004 0.000 0.287 229 L C -0.239 176.676 176.870 0.076 0.000 1.023 229 L CA -0.522 54.394 54.840 0.125 0.000 0.819 229 L CB 1.500 43.614 42.059 0.090 0.000 1.212 229 L HN 0.528 nan 8.230 nan 0.000 0.420 230 R N 3.004 123.549 120.500 0.074 0.000 2.494 230 R HA 0.707 5.050 4.340 0.004 0.000 0.305 230 R C -0.536 175.792 176.300 0.046 0.000 0.959 230 R CA -0.540 55.587 56.100 0.045 0.000 0.864 230 R CB 1.756 32.075 30.300 0.031 0.000 1.159 230 R HN 0.701 nan 8.270 nan 0.000 0.446 231 A N 4.358 127.197 122.820 0.032 0.000 2.450 231 A HA 0.146 4.469 4.320 0.004 0.000 0.255 231 A C -0.087 177.512 177.584 0.024 0.000 1.096 231 A CA -0.166 51.887 52.037 0.027 0.000 0.778 231 A CB 0.298 19.308 19.000 0.015 0.000 1.031 231 A HN 0.833 nan 8.150 nan 0.000 0.494 232 K N 1.818 122.233 120.400 0.024 0.000 2.319 232 K HA 0.193 4.516 4.320 0.004 0.000 0.265 232 K C 0.669 177.275 176.600 0.010 0.000 1.000 232 K CA 0.010 56.308 56.287 0.018 0.000 0.943 232 K CB 0.418 32.929 32.500 0.018 0.000 0.950 232 K HN 0.716 nan 8.250 nan 0.000 0.485 233 S N 1.227 116.933 115.700 0.009 0.000 2.560 233 S HA 0.266 4.738 4.470 0.004 0.000 0.284 233 S C 0.974 175.575 174.600 0.000 0.000 1.327 233 S CA 1.022 59.225 58.200 0.006 0.000 1.055 233 S CB 0.066 63.268 63.200 0.004 0.000 0.868 233 S HN 0.865 nan 8.310 nan 0.000 0.506 234 G N 3.272 112.071 108.800 -0.001 0.000 2.258 234 G HA2 -0.238 3.724 3.960 0.004 0.000 0.233 234 G HA3 -0.238 3.724 3.960 0.004 0.000 0.233 234 G C 0.225 175.117 174.900 -0.014 0.000 1.006 234 G CA 0.067 45.162 45.100 -0.008 0.000 0.620 234 G HN 1.014 nan 8.290 nan 0.000 0.511 235 L N 2.923 124.137 121.223 -0.014 0.000 2.578 235 L HA 0.486 4.829 4.340 0.004 0.000 0.279 235 L C 1.066 177.924 176.870 -0.021 0.000 1.227 235 L CA 1.059 55.884 54.840 -0.024 0.000 0.900 235 L CB 0.572 42.622 42.059 -0.015 0.000 1.144 235 L HN 0.561 nan 8.230 nan 0.000 0.496 236 T N 1.863 116.398 114.554 -0.031 0.000 2.932 236 T HA 0.831 5.184 4.350 0.004 0.000 0.289 236 T C 0.457 175.142 174.700 -0.024 0.000 1.039 236 T CA -0.110 61.976 62.100 -0.023 0.000 1.024 236 T CB 1.758 70.612 68.868 -0.023 0.000 1.090 236 T HN 1.279 nan 8.240 nan 0.000 0.496 237 G N 1.774 110.564 108.800 -0.016 0.000 2.509 237 G HA2 -0.031 3.931 3.960 0.004 0.000 0.256 237 G HA3 -0.031 3.931 3.960 0.004 0.000 0.256 237 G C 0.087 174.975 174.900 -0.020 0.000 1.152 237 G CA 0.246 45.336 45.100 -0.016 0.000 0.951 237 G HN 2.066 nan 8.290 nan 0.000 0.559 238 S N -1.040 114.647 115.700 -0.022 0.000 2.704 238 S HA 0.744 5.216 4.470 0.004 0.000 0.305 238 S C 1.096 175.685 174.600 -0.020 0.000 1.107 238 S CA 0.238 58.420 58.200 -0.030 0.000 0.993 238 S CB 1.974 65.150 63.200 -0.039 0.000 1.110 238 S HN 1.404 nan 8.310 nan 0.000 0.534 239 V N 0.299 120.199 119.914 -0.024 0.000 2.346 239 V HA 0.180 4.303 4.120 0.004 0.000 0.244 239 V C 0.525 176.624 176.094 0.008 0.000 1.037 239 V CA 1.096 63.394 62.300 -0.002 0.000 1.029 239 V CB -0.738 31.082 31.823 -0.006 0.000 0.663 239 V HN 0.656 nan 8.190 nan 0.000 0.454 240 L N 0.673 121.887 121.223 -0.014 0.000 2.356 240 L HA 0.556 4.899 4.340 0.004 0.000 0.277 240 L C -0.203 176.651 176.870 -0.026 0.000 0.996 240 L CA -0.337 54.498 54.840 -0.009 0.000 0.822 240 L CB 1.948 44.000 42.059 -0.011 0.000 1.256 240 L HN 0.120 nan 8.230 nan 0.000 0.413 241 R N 4.245 124.738 120.500 -0.012 0.000 2.388 241 R HA 0.527 4.869 4.340 0.004 0.000 0.314 241 R C -1.281 175.007 176.300 -0.019 0.000 0.959 241 R CA -0.582 55.508 56.100 -0.017 0.000 0.851 241 R CB 0.926 31.226 30.300 -0.001 0.000 1.168 241 R HN 0.590 nan 8.270 nan 0.000 0.472 242 L N 3.133 124.328 121.223 -0.047 0.000 2.361 242 L HA 0.227 4.570 4.340 0.004 0.000 0.278 242 L C 0.624 177.502 176.870 0.012 0.000 1.113 242 L CA -0.208 54.607 54.840 -0.041 0.000 0.849 242 L CB 1.381 43.315 42.059 -0.208 0.000 1.155 242 L HN 0.581 nan 8.230 nan 0.000 0.452 243 S N 2.845 118.556 115.700 0.019 0.000 2.565 243 S HA 0.249 4.722 4.470 0.004 0.000 0.276 243 S C -0.200 174.414 174.600 0.023 0.000 1.326 243 S CA -0.692 57.458 58.200 -0.084 0.000 1.045 243 S CB 0.332 63.408 63.200 -0.208 0.000 0.918 243 S HN 0.326 nan 8.310 nan 0.000 0.505 244 Y N 2.479 122.841 120.300 0.104 0.000 2.607 244 Y HA 0.481 5.034 4.550 0.005 0.000 0.348 244 Y C 0.329 176.279 175.900 0.083 0.000 1.261 244 Y CA -0.500 57.662 58.100 0.103 0.000 1.480 244 Y CB 0.198 38.687 38.460 0.050 0.000 1.358 244 Y HN 0.691 nan 8.280 nan 0.000 0.630 245 D N -1.289 119.299 120.400 0.313 0.000 2.759 245 D HA 0.251 4.894 4.640 0.004 0.000 0.321 245 D C -0.780 175.583 176.300 0.105 0.000 1.267 245 D CA -0.764 53.347 54.000 0.185 0.000 0.933 245 D CB 0.947 41.789 40.800 0.071 0.000 1.431 245 D HN 0.418 nan 8.370 nan 0.000 0.504 246 S N -0.805 114.903 115.700 0.013 0.000 2.557 246 S HA 0.193 4.665 4.470 0.004 0.000 0.223 246 S C -0.137 174.371 174.600 -0.152 0.000 0.969 246 S CA -0.233 57.920 58.200 -0.078 0.000 0.927 246 S CB -0.215 62.941 63.200 -0.072 0.000 0.806 246 S HN 0.392 nan 8.310 nan 0.000 0.489 247 D N 1.056 121.373 120.400 -0.139 0.000 2.442 247 D HA 0.448 5.091 4.640 0.004 0.000 0.254 247 D C 0.736 176.866 176.300 -0.282 0.000 1.069 247 D CA -0.065 53.815 54.000 -0.200 0.000 1.017 247 D CB 1.800 42.513 40.800 -0.145 0.000 1.172 247 D HN 0.147 nan 8.370 nan 0.000 0.561 248 T N -2.195 112.164 114.554 -0.325 0.000 3.192 248 T HA 0.339 4.691 4.350 0.004 0.000 0.295 248 T C 0.520 175.163 174.700 -0.095 0.000 0.947 248 T CA -0.403 61.443 62.100 -0.424 0.000 0.916 248 T CB -0.661 67.709 68.868 -0.831 0.000 1.169 248 T HN 0.418 nan 8.240 nan 0.000 0.540 249 I N -2.978 117.522 120.570 -0.116 0.000 2.686 249 I HA 0.812 4.984 4.170 0.004 0.000 0.295 249 I C 0.894 176.925 176.117 -0.144 0.000 1.114 249 I CA -0.802 60.448 61.300 -0.085 0.000 1.038 249 I CB 1.731 39.688 38.000 -0.071 0.000 1.238 249 I HN 0.158 nan 8.210 nan 0.000 0.420 250 G N 3.034 111.765 108.800 -0.114 0.000 2.179 250 G HA2 -0.194 3.768 3.960 0.004 0.000 0.260 250 G HA3 -0.194 3.768 3.960 0.004 0.000 0.260 250 G C 0.364 175.156 174.900 -0.179 0.000 0.977 250 G CA -0.243 44.796 45.100 -0.101 0.000 0.641 250 G HN 0.688 nan 8.290 nan 0.000 0.533 251 R N -0.154 120.075 120.500 -0.451 0.000 2.641 251 R HA 0.589 4.932 4.340 0.004 0.000 0.269 251 R C 0.166 176.175 176.300 -0.484 0.000 1.074 251 R CA 0.265 55.841 56.100 -0.873 0.000 1.133 251 R CB 0.175 29.254 30.300 -2.036 0.000 1.029 251 R HN 0.883 nan 8.270 nan 0.000 0.488 252 Y N -2.310 117.761 120.300 -0.382 0.000 2.604 252 Y HA 0.535 5.088 4.550 0.004 0.000 0.331 252 Y C -1.604 174.477 175.900 0.303 0.000 1.158 252 Y CA -1.248 56.860 58.100 0.012 0.000 1.056 252 Y CB 1.126 39.577 38.460 -0.016 0.000 1.330 252 Y HN 0.321 nan 8.280 nan 0.000 0.457 253 L N 3.938 125.526 121.223 0.609 0.000 2.349 253 L HA 0.730 5.073 4.340 0.004 0.000 0.278 253 L C -0.665 176.480 176.870 0.457 0.000 0.996 253 L CA -0.817 54.346 54.840 0.539 0.000 0.825 253 L CB 1.999 44.386 42.059 0.547 0.000 1.243 253 L HN 0.732 nan 8.230 nan 0.000 0.412 254 R N 3.622 124.362 120.500 0.400 0.000 2.532 254 R HA 0.372 4.714 4.340 0.004 0.000 0.297 254 R C -0.628 175.808 176.300 0.227 0.000 0.984 254 R CA -0.923 55.338 56.100 0.268 0.000 0.884 254 R CB 1.578 31.977 30.300 0.164 0.000 1.182 254 R HN 0.636 nan 8.270 nan 0.000 0.442 255 N N 1.853 120.668 118.700 0.192 0.000 2.738 255 N HA -0.182 4.560 4.740 0.004 0.000 0.249 255 N C -0.430 175.174 175.510 0.157 0.000 1.047 255 N CA 1.328 54.475 53.050 0.162 0.000 0.707 255 N CB -1.403 37.173 38.487 0.148 0.000 0.937 255 N HN 0.620 nan 8.380 nan 0.000 0.545 256 I N -3.623 117.046 120.570 0.166 0.000 2.934 256 I HA 0.683 4.855 4.170 0.004 0.000 0.306 256 I C -0.175 176.019 176.117 0.130 0.000 1.110 256 I CA -1.168 60.215 61.300 0.139 0.000 1.019 256 I CB 2.544 40.630 38.000 0.142 0.000 1.227 256 I HN 0.006 nan 8.210 nan 0.000 0.434 257 R N 3.384 123.945 120.500 0.100 0.000 2.628 257 R HA 0.772 5.115 4.340 0.004 0.000 0.288 257 R C -2.172 174.163 176.300 0.059 0.000 0.980 257 R CA -0.589 55.560 56.100 0.081 0.000 0.891 257 R CB 2.430 32.771 30.300 0.068 0.000 1.188 257 R HN 0.673 nan 8.270 nan 0.000 0.450 258 V N 3.127 123.059 119.914 0.031 0.000 2.495 258 V HA 0.431 4.553 4.120 0.004 0.000 0.298 258 V C -0.511 175.581 176.094 -0.002 0.000 1.031 258 V CA -0.498 61.805 62.300 0.005 0.000 0.871 258 V CB 2.127 33.925 31.823 -0.042 0.000 0.988 258 V HN 0.836 nan 8.190 nan 0.000 0.432 259 T N 4.081 118.640 114.554 0.008 0.000 2.786 259 T HA 0.582 4.935 4.350 0.004 0.000 0.283 259 T C 0.497 175.201 174.700 0.006 0.000 0.992 259 T CA -0.211 61.893 62.100 0.007 0.000 0.954 259 T CB 1.502 70.379 68.868 0.015 0.000 0.934 259 T HN 0.887 nan 8.240 nan 0.000 0.440 260 G N 1.849 110.649 108.800 0.000 0.000 2.508 260 G HA2 0.332 4.294 3.960 0.004 0.000 0.278 260 G HA3 0.332 4.294 3.960 0.004 0.000 0.278 260 G C 0.534 175.448 174.900 0.024 0.000 1.389 260 G CA -0.731 44.373 45.100 0.006 0.000 1.050 260 G HN 0.698 nan 8.290 nan 0.000 0.522 261 N N -1.160 117.558 118.700 0.030 0.000 2.282 261 N HA 0.062 4.805 4.740 0.004 0.000 0.240 261 N C 0.610 176.154 175.510 0.057 0.000 1.182 261 N CA -0.208 52.863 53.050 0.035 0.000 0.874 261 N CB 0.221 38.722 38.487 0.023 0.000 1.126 261 N HN 0.541 nan 8.380 nan 0.000 0.516 262 N N -1.080 117.678 118.700 0.097 0.000 2.951 262 N HA -0.219 4.524 4.740 0.004 0.000 0.218 262 N C 0.603 176.226 175.510 0.189 0.000 0.858 262 N CA 2.250 55.416 53.050 0.193 0.000 1.050 262 N CB -1.453 37.124 38.487 0.150 0.000 1.012 262 N HN 0.674 nan 8.380 nan 0.000 0.611 263 T N -2.828 111.786 114.554 0.099 0.000 3.000 263 T HA 0.217 4.569 4.350 0.004 0.000 0.248 263 T C 1.443 176.175 174.700 0.053 0.000 1.034 263 T CA 0.543 62.692 62.100 0.081 0.000 1.060 263 T CB -0.390 68.504 68.868 0.045 0.000 0.983 263 T HN 0.485 nan 8.240 nan 0.000 0.482 264 C N 2.213 121.532 119.300 0.033 0.000 2.470 264 C HA 0.714 5.176 4.460 0.004 0.000 0.350 264 C C 0.327 175.310 174.990 -0.011 0.000 1.341 264 C CA -1.438 57.584 59.018 0.007 0.000 2.440 264 C CB -0.168 27.570 27.740 -0.002 0.000 2.295 264 C HN 0.355 nan 8.230 nan 0.000 0.645 265 N N 0.067 118.749 118.700 -0.030 0.000 2.458 265 N HA 0.456 5.199 4.740 0.004 0.000 0.271 265 N C 0.949 176.407 175.510 -0.086 0.000 1.210 265 N CA 0.245 53.257 53.050 -0.062 0.000 0.978 265 N CB 1.283 39.735 38.487 -0.058 0.000 1.206 265 N HN 0.978 nan 8.380 nan 0.000 0.536 266 G N 0.229 108.944 108.800 -0.142 0.000 2.624 266 G HA2 0.173 4.135 3.960 0.004 0.000 0.216 266 G HA3 0.173 4.135 3.960 0.004 0.000 0.216 266 G C 0.261 175.061 174.900 -0.166 0.000 1.274 266 G CA 0.329 45.321 45.100 -0.181 0.000 0.856 266 G HN 0.500 nan 8.290 nan 0.000 0.555 267 I N 1.816 122.252 120.570 -0.223 0.000 2.436 267 I HA 0.391 4.563 4.170 0.004 0.000 0.289 267 I C -1.084 174.962 176.117 -0.117 0.000 1.010 267 I CA -0.790 60.413 61.300 -0.162 0.000 1.098 267 I CB 2.239 40.129 38.000 -0.183 0.000 1.266 267 I HN 0.444 nan 8.210 nan 0.000 0.434 268 D N 3.497 123.848 120.400 -0.082 0.000 2.958 268 D HA 0.540 5.183 4.640 0.004 0.000 0.306 268 D C -0.477 175.799 176.300 -0.039 0.000 1.226 268 D CA -0.302 53.665 54.000 -0.055 0.000 1.032 268 D CB 1.274 42.049 40.800 -0.041 0.000 1.400 268 D HN 0.453 nan 8.370 nan 0.000 0.587 269 T N -3.183 111.371 114.554 0.001 0.000 2.888 269 T HA 0.449 4.801 4.350 0.004 0.000 0.288 269 T C 0.194 174.930 174.700 0.061 0.000 1.063 269 T CA -0.776 61.346 62.100 0.036 0.000 1.010 269 T CB 1.169 70.088 68.868 0.085 0.000 1.214 269 T HN 0.498 nan 8.240 nan 0.000 0.533 270 N N 0.319 119.073 118.700 0.090 0.000 2.295 270 N HA 0.165 4.907 4.740 0.004 0.000 0.221 270 N C -0.185 175.453 175.510 0.214 0.000 1.129 270 N CA -0.455 52.663 53.050 0.114 0.000 0.836 270 N CB -0.600 37.919 38.487 0.052 0.000 1.040 270 N HN 0.696 nan 8.380 nan 0.000 0.494 271 I N 1.010 121.708 120.570 0.214 0.000 2.472 271 I HA 0.184 4.356 4.170 0.004 0.000 0.290 271 I C 0.586 176.833 176.117 0.217 0.000 1.016 271 I CA -0.301 61.135 61.300 0.226 0.000 1.348 271 I CB 1.275 39.397 38.000 0.203 0.000 1.417 271 I HN 0.166 nan 8.210 nan 0.000 0.521 272 T N 1.693 116.397 114.554 0.250 0.000 2.896 272 T HA 0.557 4.909 4.350 0.004 0.000 0.297 272 T C 0.597 175.486 174.700 0.315 0.000 1.108 272 T CA -0.357 61.875 62.100 0.220 0.000 1.004 272 T CB 1.824 70.778 68.868 0.142 0.000 1.159 272 T HN 0.560 nan 8.240 nan 0.000 0.499 273 A N 0.483 123.381 122.820 0.130 0.000 2.019 273 A HA 0.041 4.363 4.320 0.004 0.000 0.219 273 A C 1.744 179.379 177.584 0.084 0.000 1.164 273 A CA 1.462 53.483 52.037 -0.026 0.000 0.644 273 A CB -0.906 17.993 19.000 -0.168 0.000 0.805 273 A HN 0.884 nan 8.150 nan 0.000 0.449 274 E N 0.950 121.215 120.200 0.107 0.000 2.502 274 E HA 0.037 4.390 4.350 0.004 0.000 0.194 274 E C -0.522 176.168 176.600 0.150 0.000 1.062 274 E CA 0.017 56.475 56.400 0.096 0.000 0.867 274 E CB -0.064 29.676 29.700 0.066 0.000 0.888 274 E HN 0.468 nan 8.360 nan 0.000 0.510 275 D N 0.079 120.618 120.400 0.232 0.000 2.493 275 D HA -0.035 4.607 4.640 0.004 0.000 0.240 275 D C 0.707 177.193 176.300 0.311 0.000 1.142 275 D CA 0.297 54.440 54.000 0.237 0.000 0.872 275 D CB 1.068 42.018 40.800 0.250 0.000 1.173 275 D HN 0.063 nan 8.370 nan 0.000 0.467 276 S N 0.203 116.028 115.700 0.208 0.000 2.554 276 S HA 0.257 4.730 4.470 0.004 0.000 0.226 276 S C 0.308 174.998 174.600 0.149 0.000 0.980 276 S CA -0.521 57.810 58.200 0.219 0.000 0.939 276 S CB 0.376 63.651 63.200 0.124 0.000 0.832 276 S HN 0.169 nan 8.310 nan 0.000 0.486 277 V N 2.090 122.021 119.914 0.028 0.000 2.735 277 V HA 0.462 4.585 4.120 0.004 0.000 0.310 277 V C -0.279 175.521 176.094 -0.490 0.000 1.061 277 V CA -1.082 61.093 62.300 -0.209 0.000 0.913 277 V CB 1.848 33.549 31.823 -0.203 0.000 1.005 277 V HN 0.401 nan 8.190 nan 0.000 0.428 278 I N 5.492 125.552 120.570 -0.850 0.000 2.517 278 I HA 0.258 4.430 4.170 0.004 0.000 0.285 278 I C 0.244 175.978 176.117 -0.639 0.000 1.106 278 I CA 0.068 60.693 61.300 -1.125 0.000 1.402 278 I CB 0.113 37.367 38.000 -1.244 0.000 1.399 278 I HN 0.413 nan 8.210 nan 0.000 0.535 279 R N 6.230 126.431 120.500 -0.500 0.000 2.514 279 R HA 0.580 4.923 4.340 0.004 0.000 0.301 279 R C -0.856 175.340 176.300 -0.174 0.000 0.962 279 R CA -0.859 54.983 56.100 -0.430 0.000 0.882 279 R CB 1.802 31.783 30.300 -0.532 0.000 1.143 279 R HN 0.589 nan 8.270 nan 0.000 0.452 280 Q N 0.791 120.552 119.800 -0.065 0.000 2.347 280 Q HA 0.465 4.808 4.340 0.004 0.000 0.271 280 Q C -0.991 175.160 176.000 0.252 0.000 1.064 280 Q CA -0.867 54.969 55.803 0.055 0.000 0.800 280 Q CB 3.305 31.955 28.738 -0.146 0.000 1.304 280 Q HN 0.207 nan 8.270 nan 0.000 0.438 281 V N 3.159 123.275 119.914 0.337 0.000 2.294 281 V HA 0.316 4.438 4.120 0.004 0.000 0.272 281 V C -1.392 175.038 176.094 0.560 0.000 1.027 281 V CA -0.518 62.041 62.300 0.433 0.000 0.823 281 V CB 0.147 32.141 31.823 0.284 0.000 1.030 281 V HN 0.605 nan 8.190 nan 0.000 0.457 282 Y N 2.543 123.122 120.300 0.465 0.000 2.361 282 Y HA 0.658 5.210 4.550 0.003 0.000 0.337 282 Y C 0.604 176.637 175.900 0.222 0.000 0.965 282 Y CA -0.367 57.931 58.100 0.329 0.000 1.091 282 Y CB 2.091 40.601 38.460 0.082 0.000 1.182 282 Y HN 0.765 nan 8.280 nan 0.000 0.450 283 G N 3.272 112.367 108.800 0.492 0.000 2.303 283 G HA2 -0.271 3.692 3.960 0.004 0.000 0.260 283 G HA3 -0.271 3.692 3.960 0.004 0.000 0.260 283 G C -1.048 173.820 174.900 -0.053 0.000 1.106 283 G CA -0.437 44.813 45.100 0.250 0.000 0.900 283 G HN 0.501 nan 8.290 nan 0.000 0.495 284 W N -1.013 120.234 121.300 -0.088 0.000 2.606 284 W HA 0.651 5.313 4.660 0.003 0.000 0.332 284 W C 0.088 176.305 176.519 -0.504 0.000 1.052 284 W CA -0.997 56.120 57.345 -0.380 0.000 1.223 284 W CB 2.041 31.037 29.460 -0.773 0.000 1.383 284 W HN 0.210 nan 8.180 nan 0.000 0.524 285 V N 3.860 123.638 119.914 -0.228 0.000 2.417 285 V HA 0.404 4.526 4.120 0.004 0.000 0.291 285 V C -0.927 175.012 176.094 -0.258 0.000 1.024 285 V CA -0.958 61.220 62.300 -0.204 0.000 0.861 285 V CB 0.629 32.436 31.823 -0.027 0.000 0.985 285 V HN 0.214 nan 8.190 nan 0.000 0.436 286 F N 3.132 123.096 119.950 0.024 0.000 2.375 286 F HA 0.547 5.076 4.527 0.004 0.000 0.361 286 F C 0.019 175.872 175.800 0.088 0.000 1.117 286 F CA -1.123 56.889 58.000 0.020 0.000 1.037 286 F CB 1.299 40.129 39.000 -0.284 0.000 1.192 286 F HN 0.494 nan 8.300 nan 0.000 0.452 287 D N 2.880 123.448 120.400 0.280 0.000 2.549 287 D HA 0.217 4.859 4.640 0.004 0.000 0.251 287 D C -0.049 176.371 176.300 0.201 0.000 1.153 287 D CA -0.505 53.612 54.000 0.196 0.000 0.861 287 D CB 0.686 41.558 40.800 0.120 0.000 1.207 287 D HN 0.437 nan 8.370 nan 0.000 0.543 288 N N 2.811 121.625 118.700 0.189 0.000 2.714 288 N HA -0.163 4.580 4.740 0.004 0.000 0.253 288 N C -1.525 174.108 175.510 0.206 0.000 1.024 288 N CA 0.697 53.851 53.050 0.173 0.000 0.726 288 N CB -0.967 37.599 38.487 0.132 0.000 0.908 288 N HN 0.194 nan 8.380 nan 0.000 0.542 289 V N 1.559 121.632 119.914 0.266 0.000 2.481 289 V HA 0.518 4.641 4.120 0.004 0.000 0.286 289 V C 0.872 177.149 176.094 0.306 0.000 1.042 289 V CA -0.220 62.259 62.300 0.298 0.000 0.928 289 V CB 1.558 33.615 31.823 0.390 0.000 0.986 289 V HN 0.272 nan 8.190 nan 0.000 0.462 290 M N 4.694 124.429 119.600 0.225 0.000 2.383 290 M HA 0.672 5.154 4.480 0.004 0.000 0.325 290 M C -1.225 175.137 176.300 0.103 0.000 1.092 290 M CA -0.512 54.898 55.300 0.184 0.000 0.961 290 M CB 2.288 34.962 32.600 0.123 0.000 1.672 290 M HN 0.365 nan 8.290 nan 0.000 0.438 291 V N 3.365 123.316 119.914 0.062 0.000 2.623 291 V HA 0.582 4.704 4.120 0.004 0.000 0.304 291 V C -0.840 175.241 176.094 -0.022 0.000 1.054 291 V CA -0.840 61.413 62.300 -0.078 0.000 0.882 291 V CB 2.042 33.635 31.823 -0.384 0.000 1.002 291 V HN 0.908 nan 8.190 nan 0.000 0.424 292 N N 2.951 121.640 118.700 -0.019 0.000 2.329 292 N HA 0.476 5.219 4.740 0.004 0.000 0.282 292 N C -1.002 174.509 175.510 0.001 0.000 1.198 292 N CA -0.669 52.384 53.050 0.005 0.000 0.790 292 N CB 2.833 41.338 38.487 0.031 0.000 1.579 292 N HN 0.799 nan 8.380 nan 0.000 0.475 293 E N -0.436 119.775 120.200 0.019 0.000 2.271 293 E HA -0.127 4.225 4.350 0.004 0.000 0.215 293 E C -0.958 175.671 176.600 0.049 0.000 1.256 293 E CA 0.060 56.501 56.400 0.068 0.000 0.678 293 E CB -1.351 28.388 29.700 0.065 0.000 1.187 293 E HN 0.422 nan 8.360 nan 0.000 0.392 294 V N -3.401 116.496 119.914 -0.028 0.000 3.216 294 V HA 0.405 4.527 4.120 0.004 0.000 0.302 294 V C 1.098 177.047 176.094 -0.242 0.000 1.286 294 V CA -1.034 61.221 62.300 -0.075 0.000 1.048 294 V CB 2.088 33.843 31.823 -0.113 0.000 1.081 294 V HN 0.015 nan 8.190 nan 0.000 0.442 295 E N 1.013 121.146 120.200 -0.113 0.000 1.999 295 E HA 0.053 4.405 4.350 0.004 0.000 0.194 295 E C 0.497 176.990 176.600 -0.178 0.000 0.995 295 E CA 1.733 58.057 56.400 -0.126 0.000 0.825 295 E CB -0.072 29.640 29.700 0.021 0.000 0.777 295 E HN 0.872 nan 8.360 nan 0.000 0.459 296 T N 0.574 115.062 114.554 -0.110 0.000 2.779 296 T HA 0.447 4.800 4.350 0.004 0.000 0.280 296 T C 0.595 175.205 174.700 -0.151 0.000 0.987 296 T CA 0.074 62.108 62.100 -0.111 0.000 0.966 296 T CB 1.824 70.660 68.868 -0.053 0.000 0.933 296 T HN 0.171 nan 8.240 nan 0.000 0.442 297 A N 3.227 125.938 122.820 -0.182 0.000 1.854 297 A HA 0.134 4.456 4.320 0.004 0.000 0.214 297 A C -0.057 177.232 177.584 -0.492 0.000 1.192 297 A CA 1.040 52.890 52.037 -0.312 0.000 0.611 297 A CB -0.228 18.625 19.000 -0.245 0.000 0.832 297 A HN 0.791 nan 8.150 nan 0.000 0.442 298 Y N -1.179 119.005 120.300 -0.193 0.000 2.363 298 Y HA 0.549 5.102 4.550 0.004 0.000 0.325 298 Y C -0.537 175.226 175.900 -0.227 0.000 0.984 298 Y CA -0.416 57.556 58.100 -0.213 0.000 1.248 298 Y CB 1.399 39.695 38.460 -0.274 0.000 1.116 298 Y HN 0.148 nan 8.280 nan 0.000 0.470 299 L N 5.647 126.838 121.223 -0.053 0.000 2.335 299 L HA 0.476 4.819 4.340 0.004 0.000 0.268 299 L C -1.143 175.684 176.870 -0.072 0.000 1.037 299 L CA -0.452 54.339 54.840 -0.081 0.000 0.895 299 L CB 0.111 42.127 42.059 -0.072 0.000 1.266 299 L HN 0.584 nan 8.230 nan 0.000 0.439 300 M N 3.453 123.010 119.600 -0.070 0.000 2.264 300 M HA 0.448 4.930 4.480 0.004 0.000 0.352 300 M C -0.639 175.708 176.300 0.078 0.000 1.173 300 M CA -0.115 55.212 55.300 0.044 0.000 1.075 300 M CB 1.517 34.208 32.600 0.152 0.000 1.621 300 M HN 0.511 nan 8.290 nan 0.000 0.457 301 Q N -0.264 119.614 119.800 0.130 0.000 2.423 301 Q HA 0.581 4.923 4.340 0.004 0.000 0.278 301 Q C 0.553 176.692 176.000 0.231 0.000 1.097 301 Q CA -0.480 55.432 55.803 0.181 0.000 0.809 301 Q CB 2.246 31.099 28.738 0.190 0.000 1.391 301 Q HN 1.043 nan 8.270 nan 0.000 0.428 302 G N 1.181 110.142 108.800 0.268 0.000 2.258 302 G HA2 -0.274 3.688 3.960 0.004 0.000 0.274 302 G HA3 -0.274 3.688 3.960 0.004 0.000 0.274 302 G C -0.493 174.684 174.900 0.462 0.000 1.021 302 G CA 0.402 45.710 45.100 0.346 0.000 0.798 302 G HN 0.344 nan 8.290 nan 0.000 0.507 303 L N 0.125 121.571 121.223 0.371 0.000 2.278 303 L HA 0.783 5.126 4.340 0.004 0.000 0.287 303 L C -0.357 176.675 176.870 0.271 0.000 1.072 303 L CA -1.138 53.921 54.840 0.364 0.000 0.819 303 L CB 0.140 42.425 42.059 0.377 0.000 1.176 303 L HN 0.158 nan 8.230 nan 0.000 0.435 304 W N 4.135 125.414 121.300 -0.034 0.000 2.736 304 W HA 0.429 5.091 4.660 0.003 0.000 0.335 304 W C -0.040 176.386 176.519 -0.155 0.000 1.059 304 W CA -0.370 56.831 57.345 -0.241 0.000 1.226 304 W CB 0.698 29.630 29.460 -0.880 0.000 1.416 304 W HN 0.586 nan 8.180 nan 0.000 0.505 305 H N 0.465 119.480 119.070 -0.091 0.000 2.672 305 H HA -0.137 4.421 4.556 0.004 0.000 0.325 305 H C -0.553 174.822 175.328 0.078 0.000 1.158 305 H CA 0.748 56.799 56.048 0.006 0.000 1.134 305 H CB -1.560 28.245 29.762 0.070 0.000 1.553 305 H HN 0.210 nan 8.280 nan 0.000 0.419 306 S N -0.233 115.561 115.700 0.158 0.000 2.661 306 S HA 0.727 5.200 4.470 0.004 0.000 0.285 306 S C -0.219 174.459 174.600 0.131 0.000 1.138 306 S CA -1.138 57.148 58.200 0.145 0.000 0.855 306 S CB 3.246 66.573 63.200 0.211 0.000 1.136 306 S HN 0.408 nan 8.310 nan 0.000 0.484 307 K N 0.900 121.336 120.400 0.060 0.000 2.513 307 K HA 0.571 4.894 4.320 0.004 0.000 0.251 307 K C -2.023 174.644 176.600 0.111 0.000 0.939 307 K CA -0.457 55.913 56.287 0.138 0.000 0.793 307 K CB 0.861 33.416 32.500 0.092 0.000 1.241 307 K HN 0.460 nan 8.250 nan 0.000 0.431 308 F N 4.582 124.693 119.950 0.268 0.000 2.415 308 F HA 0.522 5.052 4.527 0.004 0.000 0.348 308 F C 0.005 175.896 175.800 0.153 0.000 1.119 308 F CA -0.741 57.416 58.000 0.263 0.000 1.069 308 F CB 1.345 40.456 39.000 0.185 0.000 1.124 308 F HN 0.341 nan 8.300 nan 0.000 0.472 309 I N 2.853 123.593 120.570 0.285 0.000 2.512 309 I HA 0.564 4.736 4.170 0.004 0.000 0.287 309 I C 0.089 176.301 176.117 0.158 0.000 1.069 309 I CA -0.507 60.900 61.300 0.179 0.000 1.056 309 I CB 1.387 39.463 38.000 0.127 0.000 1.229 309 I HN 0.777 nan 8.210 nan 0.000 0.429 310 A N 4.026 126.915 122.820 0.114 0.000 2.822 310 A HA -0.211 4.111 4.320 0.004 0.000 0.287 310 A C 0.237 177.900 177.584 0.132 0.000 1.479 310 A CA 0.975 53.078 52.037 0.110 0.000 0.779 310 A CB -2.891 16.173 19.000 0.107 0.000 1.022 310 A HN 0.693 nan 8.150 nan 0.000 0.532 311 C N -0.044 119.334 119.300 0.130 0.000 2.403 311 C HA 0.782 5.245 4.460 0.004 0.000 0.361 311 C C 0.582 175.634 174.990 0.104 0.000 1.274 311 C CA -0.308 58.817 59.018 0.179 0.000 2.433 311 C CB 1.509 29.399 27.740 0.249 0.000 2.323 311 C HN 0.800 nan 8.230 nan 0.000 0.614 312 Q N 0.314 120.262 119.800 0.247 0.000 2.345 312 Q HA 0.651 4.994 4.340 0.004 0.000 0.275 312 Q C -1.639 174.617 176.000 0.428 0.000 1.063 312 Q CA -0.232 55.712 55.803 0.234 0.000 0.819 312 Q CB 2.194 31.037 28.738 0.174 0.000 1.356 312 Q HN 0.924 nan 8.270 nan 0.000 0.418 313 A N 1.311 124.409 122.820 0.463 0.000 2.422 313 A HA 0.949 5.271 4.320 0.004 0.000 0.302 313 A C -0.826 176.938 177.584 0.300 0.000 1.041 313 A CA 0.077 52.364 52.037 0.416 0.000 0.708 313 A CB 1.950 21.286 19.000 0.560 0.000 1.257 313 A HN 0.737 nan 8.150 nan 0.000 0.414 314 G N -0.665 108.237 108.800 0.170 0.000 2.692 314 G HA2 0.618 4.581 3.960 0.004 0.000 0.291 314 G HA3 0.618 4.581 3.960 0.004 0.000 0.291 314 G C -0.320 174.614 174.900 0.057 0.000 1.423 314 G CA 0.186 45.355 45.100 0.114 0.000 0.843 314 G HN 1.569 nan 8.290 nan 0.000 0.486 315 T N -1.284 113.295 114.554 0.041 0.000 3.506 315 T HA -0.164 4.188 4.350 0.004 0.000 0.407 315 T C 0.324 175.000 174.700 -0.042 0.000 0.766 315 T CA 1.198 63.344 62.100 0.077 0.000 2.070 315 T CB -2.404 66.528 68.868 0.107 0.000 1.712 315 T HN 2.006 nan 8.240 nan 0.000 0.692 316 C N -0.272 118.901 119.300 -0.213 0.000 3.288 316 C HA 0.790 5.252 4.460 0.004 0.000 0.318 316 C C 1.322 176.016 174.990 -0.493 0.000 1.356 316 C CA -1.206 57.466 59.018 -0.576 0.000 1.359 316 C CB 2.171 29.794 27.740 -0.195 0.000 1.688 316 C HN 0.629 nan 8.230 nan 0.000 0.467 317 R N 0.360 120.511 120.500 -0.582 0.000 2.112 317 R HA 0.371 4.714 4.340 0.004 0.000 0.216 317 R C -0.241 176.174 176.300 0.191 0.000 1.080 317 R CA 1.160 57.231 56.100 -0.049 0.000 0.996 317 R CB 0.252 30.572 30.300 0.033 0.000 0.902 317 R HN 0.726 nan 8.270 nan 0.000 0.449 318 V N 0.062 120.003 119.914 0.046 0.000 2.577 318 V HA 0.326 4.449 4.120 0.004 0.000 0.303 318 V C 0.772 176.776 176.094 -0.151 0.000 1.042 318 V CA -0.493 61.779 62.300 -0.047 0.000 0.872 318 V CB 1.608 33.367 31.823 -0.107 0.000 0.998 318 V HN 0.425 nan 8.190 nan 0.000 0.423 319 G N 3.764 112.338 108.800 -0.376 0.000 2.499 319 G HA2 0.112 4.075 3.960 0.004 0.000 0.213 319 G HA3 0.112 4.075 3.960 0.004 0.000 0.213 319 G C 0.062 174.616 174.900 -0.577 0.000 1.230 319 G CA 0.675 45.502 45.100 -0.455 0.000 0.813 319 G HN 0.490 nan 8.290 nan 0.000 0.542 320 L N -0.259 120.467 121.223 -0.829 0.000 2.404 320 L HA 0.539 4.881 4.340 0.004 0.000 0.272 320 L C -1.304 175.213 176.870 -0.588 0.000 0.980 320 L CA -1.013 53.347 54.840 -0.799 0.000 0.836 320 L CB 1.817 43.137 42.059 -1.231 0.000 1.238 320 L HN 0.401 nan 8.230 nan 0.000 0.408 321 H N 4.915 123.655 119.070 -0.549 0.000 2.595 321 H HA 0.432 4.990 4.556 0.004 0.000 0.313 321 H C -1.324 173.778 175.328 -0.376 0.000 1.023 321 H CA -0.831 54.978 56.048 -0.397 0.000 1.218 321 H CB 0.774 30.371 29.762 -0.275 0.000 1.403 321 H HN 0.542 nan 8.280 nan 0.000 0.477 322 F N 5.896 125.881 119.950 0.059 0.000 2.368 322 F HA 0.161 4.690 4.527 0.004 0.000 0.362 322 F C -0.377 175.392 175.800 -0.051 0.000 1.137 322 F CA -0.632 57.361 58.000 -0.011 0.000 1.161 322 F CB 0.557 39.553 39.000 -0.006 0.000 1.265 322 F HN 0.380 nan 8.300 nan 0.000 0.530 323 L N 3.702 124.910 121.223 -0.024 0.000 2.296 323 L HA 0.861 5.203 4.340 0.004 0.000 0.286 323 L C 0.325 177.224 176.870 0.048 0.000 1.023 323 L CA 0.256 55.005 54.840 -0.152 0.000 0.812 323 L CB 0.900 42.681 42.059 -0.463 0.000 1.223 323 L HN 0.761 nan 8.230 nan 0.000 0.421 324 G N 3.972 112.812 108.800 0.066 0.000 2.512 324 G HA2 -0.300 3.662 3.960 0.004 0.000 0.254 324 G HA3 -0.300 3.662 3.960 0.004 0.000 0.254 324 G C -0.261 174.757 174.900 0.197 0.000 1.199 324 G CA 0.299 45.530 45.100 0.219 0.000 0.941 324 G HN 0.884 nan 8.290 nan 0.000 0.569 325 Q N 0.377 120.344 119.800 0.278 0.000 2.571 325 Q HA 0.499 4.841 4.340 0.004 0.000 0.222 325 Q C -0.451 175.612 176.000 0.105 0.000 1.167 325 Q CA -0.527 55.396 55.803 0.200 0.000 0.966 325 Q CB -0.426 28.523 28.738 0.352 0.000 1.274 325 Q HN 0.656 nan 8.270 nan 0.000 0.552 326 C N 2.929 122.203 119.300 -0.043 0.000 2.319 326 C HA 0.677 5.139 4.460 0.004 0.000 0.335 326 C C -0.222 174.494 174.990 -0.458 0.000 1.274 326 C CA -0.725 58.183 59.018 -0.184 0.000 1.806 326 C CB 0.691 28.380 27.740 -0.084 0.000 2.329 326 C HN 0.539 nan 8.230 nan 0.000 0.524 327 V N 3.237 122.696 119.914 -0.758 0.000 2.569 327 V HA 0.581 4.703 4.120 0.004 0.000 0.301 327 V C 0.074 175.837 176.094 -0.552 0.000 1.044 327 V CA -0.173 61.618 62.300 -0.849 0.000 0.874 327 V CB 1.670 32.515 31.823 -1.630 0.000 1.002 327 V HN 1.081 nan 8.190 nan 0.000 0.424 328 S N 3.442 118.923 115.700 -0.366 0.000 3.783 328 S HA -0.095 4.378 4.470 0.004 0.000 0.497 328 S C -0.692 173.806 174.600 -0.170 0.000 0.804 328 S CA 0.450 58.490 58.200 -0.267 0.000 1.361 328 S CB -0.483 62.484 63.200 -0.388 0.000 0.873 328 S HN 0.962 nan 8.310 nan 0.000 0.671 329 V N 4.311 124.144 119.914 -0.136 0.000 2.638 329 V HA 0.816 4.938 4.120 0.004 0.000 0.306 329 V C 0.186 176.308 176.094 0.047 0.000 1.052 329 V CA -0.140 62.157 62.300 -0.003 0.000 0.885 329 V CB 2.375 34.188 31.823 -0.016 0.000 0.999 329 V HN 0.927 nan 8.190 nan 0.000 0.424 330 S N 3.135 118.929 115.700 0.156 0.000 2.503 330 S HA 0.853 5.326 4.470 0.004 0.000 0.301 330 S C -0.938 173.845 174.600 0.304 0.000 1.087 330 S CA -0.753 57.550 58.200 0.172 0.000 1.042 330 S CB 1.960 65.229 63.200 0.115 0.000 1.043 330 S HN 0.485 nan 8.310 nan 0.000 0.489 331 V N 2.565 122.630 119.914 0.252 0.000 2.380 331 V HA 0.519 4.642 4.120 0.004 0.000 0.286 331 V C -0.521 175.664 176.094 0.152 0.000 1.015 331 V CA -0.462 61.991 62.300 0.255 0.000 0.834 331 V CB 1.094 33.038 31.823 0.202 0.000 1.009 331 V HN 0.978 nan 8.190 nan 0.000 0.428 332 S N 2.424 118.209 115.700 0.142 0.000 2.552 332 S HA 0.501 4.973 4.470 0.004 0.000 0.314 332 S C 0.542 175.160 174.600 0.030 0.000 1.099 332 S CA -0.482 57.766 58.200 0.079 0.000 1.070 332 S CB 1.563 64.817 63.200 0.090 0.000 0.998 332 S HN 0.930 nan 8.310 nan 0.000 0.474 333 S N 0.271 115.953 115.700 -0.030 0.000 3.635 333 S HA -0.162 4.310 4.470 0.004 0.000 0.328 333 S C 0.329 174.829 174.600 -0.167 0.000 1.135 333 S CA 0.341 58.494 58.200 -0.078 0.000 0.942 333 S CB -2.300 60.911 63.200 0.018 0.000 0.930 333 S HN 0.794 nan 8.310 nan 0.000 0.512 334 C N 1.498 120.616 119.300 -0.303 0.000 2.405 334 C HA 0.598 5.060 4.460 0.004 0.000 0.365 334 C C 0.734 175.233 174.990 -0.818 0.000 1.233 334 C CA -0.514 58.206 59.018 -0.496 0.000 2.230 334 C CB 0.171 27.540 27.740 -0.619 0.000 2.443 334 C HN 0.612 nan 8.230 nan 0.000 0.556 335 H N 1.169 119.912 119.070 -0.545 0.000 2.762 335 H HA 0.504 5.063 4.556 0.004 0.000 0.310 335 H C -1.011 174.142 175.328 -0.291 0.000 1.004 335 H CA -0.081 55.768 56.048 -0.333 0.000 1.267 335 H CB 0.375 30.071 29.762 -0.110 0.000 1.437 335 H HN 0.438 nan 8.280 nan 0.000 0.498 336 F N 1.419 121.503 119.950 0.223 0.000 2.427 336 F HA 0.545 5.075 4.527 0.004 0.000 0.346 336 F C 0.178 176.249 175.800 0.452 0.000 1.120 336 F CA -0.725 57.449 58.000 0.291 0.000 1.033 336 F CB 1.705 40.806 39.000 0.168 0.000 1.126 336 F HN 0.304 nan 8.300 nan 0.000 0.462 337 S N 2.471 118.489 115.700 0.530 0.000 2.547 337 S HA 0.398 4.870 4.470 0.004 0.000 0.281 337 S C 0.809 175.318 174.600 -0.152 0.000 1.118 337 S CA -0.986 57.310 58.200 0.161 0.000 0.947 337 S CB 2.449 65.701 63.200 0.087 0.000 1.053 337 S HN 0.768 nan 8.310 nan 0.000 0.482 338 R N 2.315 122.350 120.500 -0.775 0.000 2.090 338 R HA 0.160 4.503 4.340 0.004 0.000 0.228 338 R C 1.247 177.427 176.300 -0.201 0.000 1.110 338 R CA 1.608 57.311 56.100 -0.662 0.000 0.973 338 R CB -0.692 29.110 30.300 -0.831 0.000 0.869 338 R HN 1.005 nan 8.270 nan 0.000 0.440 339 G N 0.772 109.471 108.800 -0.168 0.000 2.547 339 G HA2 -0.419 3.543 3.960 0.004 0.000 0.271 339 G HA3 -0.419 3.543 3.960 0.004 0.000 0.271 339 G C 0.142 175.012 174.900 -0.050 0.000 1.209 339 G CA 0.258 45.313 45.100 -0.075 0.000 0.959 339 G HN 0.576 nan 8.290 nan 0.000 0.563 340 N N 0.220 118.917 118.700 -0.005 0.000 2.383 340 N HA 0.096 4.839 4.740 0.004 0.000 0.192 340 N C 0.558 176.079 175.510 0.020 0.000 1.141 340 N CA 0.369 53.415 53.050 -0.007 0.000 0.851 340 N CB -0.095 38.380 38.487 -0.021 0.000 0.976 340 N HN 0.644 nan 8.380 nan 0.000 0.465 341 Y N 1.607 121.872 120.300 -0.058 0.000 2.426 341 Y HA 0.052 4.605 4.550 0.004 0.000 0.344 341 Y C 1.026 176.904 175.900 -0.037 0.000 1.256 341 Y CA 0.091 58.169 58.100 -0.036 0.000 1.451 341 Y CB 0.608 39.054 38.460 -0.023 0.000 1.342 341 Y HN 0.046 nan 8.280 nan 0.000 0.600 342 S N 2.622 118.242 115.700 -0.134 0.000 2.563 342 S HA 0.095 4.568 4.470 0.004 0.000 0.294 342 S C 0.796 175.476 174.600 0.133 0.000 1.279 342 S CA 0.050 58.243 58.200 -0.011 0.000 1.069 342 S CB 0.214 63.378 63.200 -0.059 0.000 0.828 342 S HN 0.848 nan 8.310 nan 0.000 0.497 343 A N 4.119 126.973 122.820 0.058 0.000 2.218 343 A HA 0.173 4.496 4.320 0.004 0.000 0.209 343 A C 0.452 178.061 177.584 0.041 0.000 1.168 343 A CA -0.024 52.043 52.037 0.050 0.000 0.804 343 A CB -0.201 18.808 19.000 0.016 0.000 0.834 343 A HN 0.821 nan 8.150 nan 0.000 0.482 344 D N 2.120 122.545 120.400 0.042 0.000 2.450 344 D HA 0.135 4.777 4.640 0.004 0.000 0.247 344 D C 0.124 176.443 176.300 0.033 0.000 1.162 344 D CA 0.566 54.581 54.000 0.024 0.000 0.879 344 D CB 0.288 41.105 40.800 0.028 0.000 1.163 344 D HN 0.275 nan 8.370 nan 0.000 0.472 345 E N -0.064 120.120 120.200 -0.028 0.000 2.269 345 E HA -0.200 4.152 4.350 0.004 0.000 0.223 345 E C -0.437 176.147 176.600 -0.027 0.000 1.244 345 E CA 0.506 56.881 56.400 -0.042 0.000 0.713 345 E CB -1.735 28.029 29.700 0.106 0.000 1.178 345 E HN 0.506 nan 8.360 nan 0.000 0.370 346 S N -0.359 115.259 115.700 -0.138 0.000 2.541 346 S HA 0.747 5.220 4.470 0.004 0.000 0.283 346 S C -0.235 174.245 174.600 -0.200 0.000 1.196 346 S CA -0.692 57.541 58.200 0.054 0.000 1.062 346 S CB 1.151 64.479 63.200 0.213 0.000 1.009 346 S HN 0.170 nan 8.310 nan 0.000 0.502 347 F N 0.471 120.450 119.950 0.049 0.000 2.561 347 F HA 0.587 5.117 4.527 0.004 0.000 0.313 347 F C 1.198 176.516 175.800 -0.803 0.000 1.126 347 F CA -0.932 56.940 58.000 -0.213 0.000 0.918 347 F CB 1.860 40.709 39.000 -0.252 0.000 1.199 347 F HN 0.783 nan 8.300 nan 0.000 0.444 348 G N 2.805 111.091 108.800 -0.857 0.000 2.424 348 G HA2 0.072 4.034 3.960 0.004 0.000 0.214 348 G HA3 0.072 4.034 3.960 0.004 0.000 0.214 348 G C 0.324 174.789 174.900 -0.725 0.000 1.202 348 G CA 0.612 44.891 45.100 -1.369 0.000 0.793 348 G HN 0.455 nan 8.290 nan 0.000 0.534 349 I N -0.355 120.001 120.570 -0.356 0.000 2.466 349 I HA 0.437 4.610 4.170 0.004 0.000 0.289 349 I C -0.522 175.529 176.117 -0.110 0.000 1.026 349 I CA -0.705 60.425 61.300 -0.283 0.000 1.078 349 I CB 2.618 40.527 38.000 -0.151 0.000 1.249 349 I HN -0.014 nan 8.210 nan 0.000 0.429 350 R N 7.036 127.435 120.500 -0.167 0.000 2.513 350 R HA 0.674 5.016 4.340 0.004 0.000 0.301 350 R C -1.598 174.733 176.300 0.051 0.000 0.968 350 R CA -0.557 55.468 56.100 -0.125 0.000 0.872 350 R CB 1.519 31.448 30.300 -0.617 0.000 1.177 350 R HN 0.620 nan 8.270 nan 0.000 0.444 351 I N 4.331 125.004 120.570 0.171 0.000 2.390 351 I HA 0.272 4.444 4.170 0.004 0.000 0.283 351 I C -0.593 175.605 176.117 0.135 0.000 1.016 351 I CA -0.455 60.967 61.300 0.204 0.000 1.151 351 I CB 1.748 39.851 38.000 0.172 0.000 1.293 351 I HN 0.512 nan 8.210 nan 0.000 0.458 352 Q N 9.053 128.860 119.800 0.013 0.000 2.304 352 Q HA 0.494 4.837 4.340 0.004 0.000 0.270 352 Q C -2.669 173.239 176.000 -0.153 0.000 1.035 352 Q CA -1.837 53.791 55.803 -0.292 0.000 0.781 352 Q CB 3.298 31.764 28.738 -0.453 0.000 1.261 352 Q HN 0.256 nan 8.270 nan 0.000 0.444 353 P HA 0.091 nan 4.420 nan 0.000 0.274 353 P C -1.262 175.954 177.300 -0.139 0.000 1.237 353 P CA -0.226 62.826 63.100 -0.079 0.000 0.793 353 P CB 1.331 33.001 31.700 -0.049 0.000 0.977 354 Q N 0.181 119.892 119.800 -0.149 0.000 2.389 354 Q HA 0.460 4.802 4.340 0.004 0.000 0.277 354 Q C -1.333 174.404 176.000 -0.439 0.000 1.082 354 Q CA -0.391 55.212 55.803 -0.332 0.000 0.810 354 Q CB 1.560 30.030 28.738 -0.447 0.000 1.374 354 Q HN 0.292 nan 8.270 nan 0.000 0.422 355 T N 3.451 117.703 114.554 -0.504 0.000 2.795 355 T HA 0.545 4.898 4.350 0.004 0.000 0.282 355 T C -1.046 173.227 174.700 -0.712 0.000 0.980 355 T CA -0.053 61.765 62.100 -0.471 0.000 1.012 355 T CB 0.142 68.841 68.868 -0.282 0.000 0.936 355 T HN 0.379 nan 8.240 nan 0.000 0.457 356 Y N 0.205 120.230 120.300 -0.457 0.000 2.567 356 Y HA 0.552 5.104 4.550 0.003 0.000 0.333 356 Y C 1.357 177.017 175.900 -0.400 0.000 1.106 356 Y CA -1.292 56.517 58.100 -0.485 0.000 1.157 356 Y CB 1.011 38.901 38.460 -0.950 0.000 1.277 356 Y HN 0.681 nan 8.280 nan 0.000 0.490 357 A N 1.781 124.582 122.820 -0.030 0.000 2.019 357 A HA -0.155 4.167 4.320 0.004 0.000 0.219 357 A C 1.630 179.253 177.584 0.065 0.000 1.164 357 A CA 1.628 53.675 52.037 0.017 0.000 0.644 357 A CB -0.864 18.184 19.000 0.080 0.000 0.805 357 A HN 0.963 nan 8.150 nan 0.000 0.449 358 W N -0.086 121.274 121.300 0.100 0.000 2.905 358 W HA 0.052 4.713 4.660 0.002 0.000 0.251 358 W C 1.433 177.992 176.519 0.067 0.000 1.305 358 W CA 1.045 58.424 57.345 0.056 0.000 1.465 358 W CB -0.962 28.506 29.460 0.012 0.000 1.122 358 W HN 0.479 nan 8.180 nan 0.000 0.659 359 S N -0.573 114.922 115.700 -0.342 0.000 2.497 359 S HA 0.164 4.637 4.470 0.004 0.000 0.218 359 S C 1.372 175.896 174.600 -0.127 0.000 1.023 359 S CA 0.762 58.740 58.200 -0.371 0.000 0.913 359 S CB -0.109 62.541 63.200 -0.917 0.000 0.800 359 S HN 0.309 nan 8.310 nan 0.000 0.505 360 S N 0.883 116.520 115.700 -0.106 0.000 4.152 360 S HA -0.263 4.209 4.470 0.004 0.000 0.275 360 S C 0.290 174.838 174.600 -0.086 0.000 1.862 360 S CA 1.836 60.000 58.200 -0.059 0.000 4.243 360 S CB -2.080 61.113 63.200 -0.010 0.000 0.213 360 S HN 1.434 nan 8.310 nan 0.000 0.454 361 E N 1.847 122.003 120.200 -0.073 0.000 2.292 361 E HA 0.819 5.171 4.350 0.004 0.000 0.258 361 E C 0.265 176.799 176.600 -0.110 0.000 1.115 361 E CA -0.161 56.194 56.400 -0.075 0.000 0.929 361 E CB 0.665 30.343 29.700 -0.038 0.000 1.161 361 E HN 1.714 nan 8.360 nan 0.000 0.453 362 A N -0.032 122.730 122.820 -0.098 0.000 2.483 362 A HA 0.474 4.796 4.320 0.004 0.000 0.238 362 A C 0.607 178.156 177.584 -0.058 0.000 1.070 362 A CA -0.037 51.934 52.037 -0.109 0.000 0.770 362 A CB -0.461 18.487 19.000 -0.088 0.000 1.008 362 A HN 1.476 nan 8.150 nan 0.000 0.497 363 V N 0.840 120.734 119.914 -0.033 0.000 2.581 363 V HA 0.879 5.002 4.120 0.004 0.000 0.303 363 V C -0.120 176.014 176.094 0.068 0.000 1.041 363 V CA -0.999 61.336 62.300 0.059 0.000 0.907 363 V CB 1.311 33.224 31.823 0.152 0.000 0.994 363 V HN 1.187 nan 8.190 nan 0.000 0.442 364 R N 2.221 122.756 120.500 0.060 0.000 2.902 364 R HA 0.767 5.109 4.340 0.004 0.000 0.258 364 R C -0.252 176.053 176.300 0.008 0.000 1.071 364 R CA -0.601 55.515 56.100 0.028 0.000 1.024 364 R CB 1.551 31.855 30.300 0.007 0.000 1.184 364 R HN 0.608 nan 8.270 nan 0.000 0.492 365 S N -0.066 115.616 115.700 -0.030 0.000 2.614 365 S HA 0.204 4.676 4.470 0.004 0.000 0.265 365 S C -0.713 173.810 174.600 -0.128 0.000 1.303 365 S CA -0.547 57.587 58.200 -0.111 0.000 1.000 365 S CB 0.602 63.707 63.200 -0.158 0.000 0.935 365 S HN 0.530 nan 8.310 nan 0.000 0.551 366 E N 0.083 120.163 120.200 -0.201 0.000 2.321 366 E HA 0.541 4.894 4.350 0.004 0.000 0.278 366 E C -0.925 175.554 176.600 -0.201 0.000 0.902 366 E CA -0.893 55.405 56.400 -0.170 0.000 0.758 366 E CB 1.776 31.378 29.700 -0.163 0.000 1.213 366 E HN 0.773 nan 8.360 nan 0.000 0.426 367 A N 2.850 125.597 122.820 -0.122 0.000 2.546 367 A HA -0.156 4.166 4.320 0.004 0.000 0.295 367 A C -0.472 177.033 177.584 -0.131 0.000 1.455 367 A CA 0.299 52.280 52.037 -0.093 0.000 0.730 367 A CB -1.585 17.346 19.000 -0.115 0.000 1.111 367 A HN 0.390 nan 8.150 nan 0.000 0.411 368 I N 1.010 121.509 120.570 -0.118 0.000 2.362 368 I HA 0.572 4.744 4.170 0.004 0.000 0.289 368 I C -0.010 176.089 176.117 -0.030 0.000 0.994 368 I CA -0.908 60.298 61.300 -0.156 0.000 1.158 368 I CB 1.371 39.219 38.000 -0.253 0.000 1.315 368 I HN 0.329 nan 8.210 nan 0.000 0.451 369 I N 7.261 127.837 120.570 0.010 0.000 2.406 369 I HA 0.418 4.590 4.170 0.004 0.000 0.290 369 I C -0.345 175.827 176.117 0.091 0.000 0.999 369 I CA -0.300 61.042 61.300 0.069 0.000 1.124 369 I CB 1.668 39.708 38.000 0.067 0.000 1.289 369 I HN 0.252 nan 8.210 nan 0.000 0.441 370 L N 6.709 127.991 121.223 0.098 0.000 2.349 370 L HA 0.674 5.016 4.340 0.004 0.000 0.278 370 L C -1.152 175.779 176.870 0.102 0.000 0.996 370 L CA -0.643 54.263 54.840 0.111 0.000 0.825 370 L CB 1.484 43.609 42.059 0.111 0.000 1.243 370 L HN 0.598 nan 8.230 nan 0.000 0.412 371 D N 0.419 120.872 120.400 0.088 0.000 2.677 371 D HA 0.257 4.899 4.640 0.004 0.000 0.298 371 D C -0.129 176.201 176.300 0.051 0.000 1.250 371 D CA -0.887 53.157 54.000 0.075 0.000 0.888 371 D CB 1.562 42.403 40.800 0.069 0.000 1.397 371 D HN 0.260 nan 8.370 nan 0.000 0.461 372 S N -0.261 115.467 115.700 0.046 0.000 3.697 372 S HA -0.223 4.249 4.470 0.004 0.000 0.388 372 S C 0.038 174.644 174.600 0.009 0.000 0.941 372 S CA 1.605 59.824 58.200 0.032 0.000 1.247 372 S CB -1.551 61.670 63.200 0.034 0.000 0.904 372 S HN 1.055 nan 8.310 nan 0.000 0.518 373 E N -0.272 119.935 120.200 0.011 0.000 2.287 373 E HA -0.152 4.200 4.350 0.004 0.000 0.229 373 E C -0.236 176.276 176.600 -0.147 0.000 1.194 373 E CA 1.366 57.753 56.400 -0.022 0.000 0.704 373 E CB -1.824 27.883 29.700 0.011 0.000 1.216 373 E HN 0.638 nan 8.360 nan 0.000 0.381 374 T N 1.333 115.824 114.554 -0.105 0.000 2.832 374 T HA 0.460 4.813 4.350 0.004 0.000 0.296 374 T C 0.451 175.076 174.700 -0.126 0.000 0.968 374 T CA -0.069 61.916 62.100 -0.192 0.000 1.107 374 T CB 0.489 69.321 68.868 -0.060 0.000 0.916 374 T HN 0.371 nan 8.240 nan 0.000 0.517 375 M N 3.486 122.942 119.600 -0.239 0.000 2.383 375 M HA 0.549 5.031 4.480 0.004 0.000 0.325 375 M C -1.609 174.788 176.300 0.162 0.000 1.092 375 M CA -0.594 54.705 55.300 -0.002 0.000 0.961 375 M CB 0.941 33.566 32.600 0.041 0.000 1.672 375 M HN 0.566 nan 8.290 nan 0.000 0.438 376 C N 5.772 125.249 119.300 0.295 0.000 2.344 376 C HA 0.619 5.081 4.460 0.004 0.000 0.326 376 C C -0.438 174.851 174.990 0.499 0.000 1.201 376 C CA -0.948 58.343 59.018 0.454 0.000 1.410 376 C CB 0.087 28.024 27.740 0.329 0.000 2.070 376 C HN 0.888 nan 8.230 nan 0.000 0.445 377 I N 2.936 123.803 120.570 0.495 0.000 2.436 377 I HA 0.659 4.831 4.170 0.004 0.000 0.289 377 I C 0.823 176.974 176.117 0.057 0.000 1.010 377 I CA 0.863 62.342 61.300 0.298 0.000 1.098 377 I CB 1.270 39.401 38.000 0.218 0.000 1.266 377 I HN 0.894 nan 8.210 nan 0.000 0.434 378 G N 5.189 114.047 108.800 0.097 0.000 2.175 378 G HA2 -0.275 3.688 3.960 0.004 0.000 0.244 378 G HA3 -0.275 3.688 3.960 0.004 0.000 0.244 378 G C -0.042 174.777 174.900 -0.134 0.000 0.982 378 G CA -0.246 44.815 45.100 -0.065 0.000 0.641 378 G HN 0.476 nan 8.290 nan 0.000 0.527 379 F N 0.779 120.798 119.950 0.115 0.000 2.389 379 F HA 0.509 5.038 4.527 0.004 0.000 0.337 379 F C 1.705 177.526 175.800 0.035 0.000 1.112 379 F CA 0.115 58.151 58.000 0.060 0.000 1.192 379 F CB 1.064 40.100 39.000 0.060 0.000 1.185 379 F HN -0.011 nan 8.300 nan 0.000 0.552 380 K N 1.018 121.501 120.400 0.139 0.000 2.063 380 K HA -0.137 4.185 4.320 0.004 0.000 0.208 380 K C -0.209 176.408 176.600 0.027 0.000 1.048 380 K CA 1.395 57.701 56.287 0.031 0.000 0.928 380 K CB 0.017 32.456 32.500 -0.101 0.000 0.713 380 K HN 0.558 nan 8.250 nan 0.000 0.442 381 N N -0.441 118.228 118.700 -0.052 0.000 2.491 381 N HA 0.152 4.895 4.740 0.004 0.000 0.274 381 N C -0.279 175.293 175.510 0.103 0.000 1.023 381 N CA 0.062 53.109 53.050 -0.004 0.000 0.902 381 N CB 2.019 40.417 38.487 -0.149 0.000 1.267 381 N HN 0.123 nan 8.380 nan 0.000 0.503 382 A N 2.156 125.072 122.820 0.161 0.000 1.855 382 A HA 0.044 4.366 4.320 0.004 0.000 0.215 382 A C 0.696 178.324 177.584 0.074 0.000 1.191 382 A CA 1.247 53.383 52.037 0.164 0.000 0.613 382 A CB 0.203 19.333 19.000 0.216 0.000 0.829 382 A HN 0.396 nan 8.150 nan 0.000 0.442 383 V N -0.772 119.182 119.914 0.066 0.000 2.447 383 V HA 0.359 4.481 4.120 0.004 0.000 0.292 383 V C -1.506 174.620 176.094 0.053 0.000 1.021 383 V CA -0.465 61.854 62.300 0.032 0.000 0.850 383 V CB 1.137 32.929 31.823 -0.050 0.000 1.005 383 V HN 0.384 nan 8.190 nan 0.000 0.426 384 Y N 4.656 124.981 120.300 0.041 0.000 2.328 384 Y HA 0.677 5.229 4.550 0.004 0.000 0.333 384 Y C -0.378 175.534 175.900 0.020 0.000 0.958 384 Y CA -0.727 57.402 58.100 0.048 0.000 1.167 384 Y CB 1.874 40.484 38.460 0.250 0.000 1.151 384 Y HN 0.405 nan 8.280 nan 0.000 0.470 385 V N 6.942 126.731 119.914 -0.207 0.000 2.293 385 V HA 0.164 4.286 4.120 0.004 0.000 0.275 385 V C 0.771 176.814 176.094 -0.084 0.000 1.021 385 V CA -0.377 61.883 62.300 -0.066 0.000 0.815 385 V CB 0.659 32.394 31.823 -0.147 0.000 1.025 385 V HN 0.958 nan 8.190 nan 0.000 0.448 386 H N 1.913 120.999 119.070 0.026 0.000 2.363 386 H HA 0.089 4.647 4.556 0.004 0.000 0.301 386 H C 0.211 175.513 175.328 -0.043 0.000 1.074 386 H CA 1.008 57.078 56.048 0.036 0.000 1.354 386 H CB 0.695 30.501 29.762 0.074 0.000 1.397 386 H HN 0.575 nan 8.280 nan 0.000 0.516 387 D N -1.077 119.384 120.400 0.101 0.000 2.685 387 D HA 0.270 4.912 4.640 0.004 0.000 0.236 387 D C -1.554 174.746 176.300 -0.000 0.000 1.233 387 D CA -0.264 53.744 54.000 0.014 0.000 0.760 387 D CB 2.173 42.984 40.800 0.018 0.000 1.410 387 D HN 0.134 nan 8.370 nan 0.000 0.439 388 C N 2.002 121.285 119.300 -0.028 0.000 3.289 388 C HA 0.640 5.102 4.460 0.004 0.000 0.354 388 C C -1.837 173.130 174.990 -0.038 0.000 1.201 388 C CA -0.709 58.288 59.018 -0.034 0.000 1.199 388 C CB 0.928 28.649 27.740 -0.032 0.000 1.511 388 C HN 0.616 nan 8.230 nan 0.000 0.506 389 L N 3.911 125.110 121.223 -0.041 0.000 2.296 389 L HA 0.671 5.013 4.340 0.004 0.000 0.286 389 L C -0.261 176.590 176.870 -0.032 0.000 1.023 389 L CA 0.951 55.772 54.840 -0.031 0.000 0.812 389 L CB 1.281 43.326 42.059 -0.023 0.000 1.223 389 L HN 0.905 nan 8.230 nan 0.000 0.421 390 D N 3.316 123.705 120.400 -0.019 0.000 3.187 390 D HA -0.220 4.423 4.640 0.004 0.000 0.244 390 D C -1.690 174.579 176.300 -0.052 0.000 1.114 390 D CA 0.861 54.871 54.000 0.017 0.000 0.920 390 D CB -0.671 40.174 40.800 0.075 0.000 0.970 390 D HN 0.468 nan 8.370 nan 0.000 0.418 391 L N 3.270 124.351 121.223 -0.237 0.000 2.325 391 L HA 0.670 5.013 4.340 0.004 0.000 0.281 391 L C -1.107 175.377 176.870 -0.645 0.000 1.004 391 L CA -0.544 54.166 54.840 -0.217 0.000 0.823 391 L CB 1.669 43.743 42.059 0.025 0.000 1.236 391 L HN 0.324 nan 8.230 nan 0.000 0.415 392 H N 5.290 124.327 119.070 -0.054 0.000 2.744 392 H HA 0.681 5.239 4.556 0.004 0.000 0.339 392 H C -0.956 174.341 175.328 -0.051 0.000 1.004 392 H CA -0.403 55.585 56.048 -0.099 0.000 1.257 392 H CB 1.757 31.491 29.762 -0.047 0.000 1.552 392 H HN 0.570 nan 8.280 nan 0.000 0.522 393 M N 2.899 122.510 119.600 0.018 0.000 2.259 393 M HA 0.330 4.813 4.480 0.004 0.000 0.304 393 M C -0.984 175.437 176.300 0.202 0.000 1.019 393 M CA -0.488 54.877 55.300 0.109 0.000 0.922 393 M CB 2.444 35.088 32.600 0.074 0.000 1.600 393 M HN 0.687 nan 8.290 nan 0.000 0.433 394 E N 1.936 122.242 120.200 0.176 0.000 2.390 394 E HA 0.456 4.809 4.350 0.004 0.000 0.277 394 E C -1.249 175.434 176.600 0.138 0.000 0.939 394 E CA -0.867 55.620 56.400 0.146 0.000 0.769 394 E CB 1.441 31.195 29.700 0.089 0.000 1.251 394 E HN 0.651 nan 8.360 nan 0.000 0.450 395 Q N 0.685 120.554 119.800 0.116 0.000 2.451 395 Q HA -0.179 4.163 4.340 0.004 0.000 0.305 395 Q C -0.661 175.418 176.000 0.132 0.000 1.345 395 Q CA 0.690 56.556 55.803 0.104 0.000 0.854 395 Q CB -1.673 27.107 28.738 0.070 0.000 1.162 395 Q HN 0.493 nan 8.270 nan 0.000 0.440 396 L N 0.031 121.380 121.223 0.210 0.000 2.360 396 L HA 0.518 4.860 4.340 0.004 0.000 0.271 396 L C 0.355 177.387 176.870 0.270 0.000 1.057 396 L CA -0.733 54.248 54.840 0.236 0.000 0.803 396 L CB 0.966 43.220 42.059 0.325 0.000 1.207 396 L HN 0.023 nan 8.230 nan 0.000 0.445 397 D N 3.071 123.614 120.400 0.239 0.000 2.446 397 D HA 0.328 4.971 4.640 0.004 0.000 0.251 397 D C -0.926 175.585 176.300 0.352 0.000 1.137 397 D CA -0.248 53.930 54.000 0.297 0.000 0.890 397 D CB 0.673 41.564 40.800 0.151 0.000 1.071 397 D HN 0.277 nan 8.370 nan 0.000 0.528 398 L N 3.059 124.552 121.223 0.450 0.000 2.321 398 L HA 0.444 4.786 4.340 0.004 0.000 0.272 398 L C -0.072 177.052 176.870 0.423 0.000 1.050 398 L CA -0.662 54.410 54.840 0.386 0.000 0.893 398 L CB 0.895 43.151 42.059 0.329 0.000 1.272 398 L HN 0.188 nan 8.230 nan 0.000 0.435 399 D N 1.010 121.665 120.400 0.425 0.000 2.433 399 D HA 0.341 4.984 4.640 0.004 0.000 0.236 399 D C -0.328 176.215 176.300 0.406 0.000 1.026 399 D CA -0.292 53.974 54.000 0.443 0.000 0.884 399 D CB 1.148 42.245 40.800 0.494 0.000 1.384 399 D HN 0.249 nan 8.370 nan 0.000 0.477 400 Y N -0.587 119.800 120.300 0.145 0.000 3.225 400 Y HA -0.299 4.253 4.550 0.004 0.000 0.211 400 Y C 0.252 176.189 175.900 0.062 0.000 1.223 400 Y CA -0.114 58.023 58.100 0.061 0.000 1.284 400 Y CB -1.854 36.634 38.460 0.047 0.000 1.367 400 Y HN 0.239 nan 8.280 nan 0.000 0.566 401 C N 0.126 119.509 119.300 0.138 0.000 2.601 401 C HA 0.417 4.879 4.460 0.004 0.000 0.409 401 C C 2.111 177.208 174.990 0.178 0.000 1.293 401 C CA 0.207 59.357 59.018 0.219 0.000 2.101 401 C CB 0.737 28.702 27.740 0.374 0.000 2.639 401 C HN 0.861 nan 8.230 nan 0.000 0.592 402 G N 1.620 110.548 108.800 0.213 0.000 2.456 402 G HA2 -0.034 3.928 3.960 0.004 0.000 0.213 402 G HA3 -0.034 3.928 3.960 0.004 0.000 0.213 402 G C 1.516 176.586 174.900 0.283 0.000 1.215 402 G CA 0.914 46.115 45.100 0.168 0.000 0.805 402 G HN 0.663 nan 8.290 nan 0.000 0.537 403 S N -1.275 114.577 115.700 0.253 0.000 2.665 403 S HA 0.234 4.707 4.470 0.004 0.000 0.240 403 S C 0.633 175.179 174.600 -0.090 0.000 1.081 403 S CA 0.716 59.007 58.200 0.151 0.000 0.887 403 S CB 0.668 63.882 63.200 0.024 0.000 0.805 403 S HN 0.743 nan 8.310 nan 0.000 0.486 404 T N -1.550 112.976 114.554 -0.047 0.000 2.894 404 T HA 0.683 5.035 4.350 0.004 0.000 0.309 404 T C 0.726 175.422 174.700 -0.005 0.000 1.208 404 T CA -0.216 61.718 62.100 -0.278 0.000 1.016 404 T CB 1.536 70.329 68.868 -0.126 0.000 1.192 404 T HN 0.019 nan 8.240 nan 0.000 0.491 405 G N 0.638 109.393 108.800 -0.074 0.000 2.655 405 G HA2 0.430 4.392 3.960 0.004 0.000 0.217 405 G HA3 0.430 4.392 3.960 0.004 0.000 0.217 405 G C -0.284 174.616 174.900 0.000 0.000 1.279 405 G CA 0.113 45.281 45.100 0.114 0.000 0.870 405 G HN 0.836 nan 8.290 nan 0.000 0.560 406 V N 0.747 120.600 119.914 -0.101 0.000 2.448 406 V HA 0.549 4.671 4.120 0.004 0.000 0.295 406 V C -0.714 175.200 176.094 -0.300 0.000 1.025 406 V CA -0.639 61.522 62.300 -0.230 0.000 0.859 406 V CB 1.830 33.418 31.823 -0.392 0.000 0.988 406 V HN 0.124 nan 8.190 nan 0.000 0.431 407 V N 5.927 125.605 119.914 -0.394 0.000 2.448 407 V HA 0.505 4.627 4.120 0.004 0.000 0.295 407 V C -0.419 175.257 176.094 -0.696 0.000 1.025 407 V CA -0.520 61.439 62.300 -0.570 0.000 0.859 407 V CB 1.900 33.238 31.823 -0.809 0.000 0.988 407 V HN 0.601 nan 8.190 nan 0.000 0.431 408 I N 4.189 124.351 120.570 -0.679 0.000 2.371 408 I HA 0.378 4.550 4.170 0.004 0.000 0.282 408 I C 1.198 177.012 176.117 -0.504 0.000 1.031 408 I CA -0.042 60.908 61.300 -0.582 0.000 1.180 408 I CB 1.039 38.669 38.000 -0.617 0.000 1.336 408 I HN 0.725 nan 8.210 nan 0.000 0.467 409 E N 3.694 123.625 120.200 -0.449 0.000 2.107 409 E HA -0.089 4.264 4.350 0.004 0.000 0.191 409 E C 0.292 176.760 176.600 -0.220 0.000 0.982 409 E CA 0.832 57.034 56.400 -0.330 0.000 0.809 409 E CB 0.297 29.863 29.700 -0.222 0.000 0.756 409 E HN 0.596 nan 8.360 nan 0.000 0.459 410 N N -0.798 117.787 118.700 -0.192 0.000 2.647 410 N HA 0.212 4.954 4.740 0.004 0.000 0.259 410 N C -2.169 173.250 175.510 -0.151 0.000 1.098 410 N CA -0.328 52.636 53.050 -0.143 0.000 0.984 410 N CB 2.148 40.582 38.487 -0.087 0.000 1.683 410 N HN -0.086 nan 8.380 nan 0.000 0.501 411 V N 2.416 122.237 119.914 -0.155 0.000 3.049 411 V HA 0.717 4.839 4.120 0.004 0.000 0.309 411 V C -1.332 174.706 176.094 -0.093 0.000 1.148 411 V CA -0.450 61.766 62.300 -0.140 0.000 0.990 411 V CB 2.240 33.922 31.823 -0.236 0.000 1.039 411 V HN 0.939 nan 8.190 nan 0.000 0.430 412 N N 2.041 120.705 118.700 -0.060 0.000 2.571 412 N HA 0.741 5.484 4.740 0.004 0.000 0.273 412 N C 0.282 175.772 175.510 -0.033 0.000 1.340 412 N CA -0.110 52.918 53.050 -0.038 0.000 0.789 412 N CB 1.951 40.428 38.487 -0.016 0.000 1.514 412 N HN 1.294 nan 8.380 nan 0.000 0.499 413 G N -0.373 108.417 108.800 -0.017 0.000 2.153 413 G HA2 0.175 4.138 3.960 0.004 0.000 0.252 413 G HA3 0.175 4.138 3.960 0.004 0.000 0.252 413 G C 0.427 175.338 174.900 0.018 0.000 0.994 413 G CA 0.574 45.683 45.100 0.014 0.000 0.698 413 G HN 1.403 nan 8.290 nan 0.000 0.521 414 G N -1.726 106.992 108.800 -0.137 0.000 2.895 414 G HA2 0.372 4.334 3.960 0.004 0.000 0.686 414 G HA3 0.372 4.334 3.960 0.004 0.000 0.686 414 G C -0.645 174.110 174.900 -0.242 0.000 1.108 414 G CA -0.022 44.828 45.100 -0.417 0.000 0.761 414 G HN 1.882 nan 8.290 nan 0.000 0.611 415 F N 2.581 122.250 119.950 -0.468 0.000 2.581 415 F HA 0.810 5.339 4.527 0.004 0.000 0.311 415 F C -0.011 175.754 175.800 -0.059 0.000 1.113 415 F CA 0.027 57.829 58.000 -0.330 0.000 0.935 415 F CB 2.304 41.194 39.000 -0.184 0.000 1.232 415 F HN 1.403 nan 8.300 nan 0.000 0.445 416 S N 5.082 120.239 115.700 -0.905 0.000 2.546 416 S HA 0.804 5.276 4.470 0.004 0.000 0.274 416 S C -1.900 172.319 174.600 -0.634 0.000 1.121 416 S CA -0.629 57.283 58.200 -0.480 0.000 0.887 416 S CB 2.177 65.437 63.200 0.099 0.000 1.094 416 S HN 0.833 nan 8.310 nan 0.000 0.474 417 F N 2.622 122.326 119.950 -0.409 0.000 2.745 417 F HA 0.703 5.232 4.527 0.004 0.000 0.343 417 F C -0.775 175.016 175.800 -0.016 0.000 1.196 417 F CA -0.601 57.288 58.000 -0.185 0.000 1.021 417 F CB 1.411 40.395 39.000 -0.027 0.000 1.297 417 F HN 1.014 nan 8.300 nan 0.000 0.486 418 S N 3.980 119.653 115.700 -0.045 0.000 2.595 418 S HA 0.525 4.998 4.470 0.004 0.000 0.281 418 S C -0.816 173.714 174.600 -0.116 0.000 1.117 418 S CA -0.916 57.207 58.200 -0.129 0.000 0.873 418 S CB 1.855 65.046 63.200 -0.016 0.000 1.108 418 S HN 0.573 nan 8.310 nan 0.000 0.477 419 N N 0.326 118.965 118.700 -0.103 0.000 2.714 419 N HA -0.130 4.612 4.740 0.004 0.000 0.253 419 N C -0.849 174.666 175.510 0.008 0.000 1.024 419 N CA 1.145 54.179 53.050 -0.026 0.000 0.726 419 N CB -1.621 36.872 38.487 0.009 0.000 0.908 419 N HN 0.666 nan 8.380 nan 0.000 0.542 420 S N -0.650 115.029 115.700 -0.034 0.000 2.661 420 S HA 0.617 5.090 4.470 0.004 0.000 0.285 420 S C -1.036 173.680 174.600 0.194 0.000 1.138 420 S CA -0.878 57.374 58.200 0.087 0.000 0.855 420 S CB 2.369 65.609 63.200 0.067 0.000 1.136 420 S HN 0.384 nan 8.310 nan 0.000 0.484 421 W N 2.845 124.205 121.300 0.099 0.000 2.532 421 W HA 0.682 5.344 4.660 0.004 0.000 0.321 421 W C -2.301 174.332 176.519 0.190 0.000 1.037 421 W CA -0.725 56.695 57.345 0.126 0.000 1.220 421 W CB 0.505 30.016 29.460 0.085 0.000 1.361 421 W HN 0.506 nan 8.180 nan 0.000 0.468 422 I N 5.584 126.018 120.570 -0.227 0.000 2.465 422 I HA 0.586 4.759 4.170 0.004 0.000 0.291 422 I C -0.278 175.527 176.117 -0.520 0.000 1.014 422 I CA -0.702 60.523 61.300 -0.125 0.000 1.093 422 I CB 1.797 39.867 38.000 0.117 0.000 1.267 422 I HN 0.475 nan 8.210 nan 0.000 0.431 423 A N 4.625 127.262 122.820 -0.306 0.000 2.427 423 A HA 0.853 5.175 4.320 0.004 0.000 0.298 423 A C -0.470 176.884 177.584 -0.383 0.000 1.036 423 A CA -0.590 51.228 52.037 -0.364 0.000 0.701 423 A CB 1.472 20.333 19.000 -0.232 0.000 1.250 423 A HN 0.794 nan 8.150 nan 0.000 0.412 424 A N 1.717 124.058 122.820 -0.798 0.000 2.462 424 A HA 0.457 4.780 4.320 0.004 0.000 0.243 424 A C 0.246 177.532 177.584 -0.497 0.000 1.076 424 A CA -0.066 51.353 52.037 -1.029 0.000 0.773 424 A CB 0.022 18.139 19.000 -1.471 0.000 1.010 424 A HN 0.835 nan 8.150 nan 0.000 0.493 425 D N 2.167 122.387 120.400 -0.300 0.000 2.412 425 D HA 0.227 4.869 4.640 0.004 0.000 0.257 425 D C 1.219 177.421 176.300 -0.163 0.000 1.217 425 D CA 0.794 54.699 54.000 -0.159 0.000 0.897 425 D CB 0.942 41.772 40.800 0.049 0.000 1.132 425 D HN 0.510 nan 8.370 nan 0.000 0.493 426 A N 4.223 126.945 122.820 -0.162 0.000 2.121 426 A HA -0.142 4.180 4.320 0.004 0.000 0.218 426 A C 1.456 179.007 177.584 -0.055 0.000 1.154 426 A CA 0.856 52.823 52.037 -0.117 0.000 0.679 426 A CB 0.082 19.023 19.000 -0.098 0.000 0.795 426 A HN 0.541 nan 8.150 nan 0.000 0.458 427 D N -0.019 120.371 120.400 -0.015 0.000 2.340 427 D HA 0.126 4.769 4.640 0.004 0.000 0.220 427 D C 1.111 177.409 176.300 -0.002 0.000 1.039 427 D CA 0.583 54.584 54.000 0.002 0.000 0.866 427 D CB -0.144 40.673 40.800 0.027 0.000 0.913 427 D HN 0.382 nan 8.370 nan 0.000 0.523 428 G N 0.400 109.193 108.800 -0.012 0.000 2.544 428 G HA2 0.228 4.190 3.960 0.004 0.000 0.242 428 G HA3 0.228 4.190 3.960 0.004 0.000 0.242 428 G C 0.983 175.881 174.900 -0.003 0.000 1.247 428 G CA 0.088 45.188 45.100 0.000 0.000 0.840 428 G HN 0.147 nan 8.290 nan 0.000 0.578 429 T N -1.974 112.584 114.554 0.006 0.000 3.040 429 T HA 0.310 4.662 4.350 0.004 0.000 0.266 429 T C 0.432 175.135 174.700 0.005 0.000 1.005 429 T CA -0.130 61.970 62.100 -0.000 0.000 0.906 429 T CB 0.228 69.094 68.868 -0.003 0.000 1.082 429 T HN 0.510 nan 8.240 nan 0.000 0.531 430 E N 1.473 121.685 120.200 0.020 0.000 2.232 430 E HA 0.304 4.656 4.350 0.004 0.000 0.265 430 E C -0.494 176.127 176.600 0.035 0.000 1.001 430 E CA -0.859 55.553 56.400 0.021 0.000 0.870 430 E CB 1.284 30.998 29.700 0.024 0.000 1.175 430 E HN 0.326 nan 8.360 nan 0.000 0.407 431 Q N 1.636 121.442 119.800 0.010 0.000 2.286 431 Q HA 0.001 4.343 4.340 0.004 0.000 0.290 431 Q C -1.401 174.620 176.000 0.036 0.000 1.049 431 Q CA 0.260 56.062 55.803 -0.002 0.000 0.923 431 Q CB 0.289 28.999 28.738 -0.047 0.000 1.183 431 Q HN 0.343 nan 8.270 nan 0.000 0.383 432 F N 3.190 123.092 119.950 -0.080 0.000 2.436 432 F HA 0.405 4.935 4.527 0.004 0.000 0.340 432 F C -0.886 174.869 175.800 -0.076 0.000 1.113 432 F CA -0.296 57.663 58.000 -0.069 0.000 1.022 432 F CB 1.840 40.802 39.000 -0.064 0.000 1.128 432 F HN 0.385 nan 8.300 nan 0.000 0.466 433 T N 5.100 119.050 114.554 -1.008 0.000 2.840 433 T HA 0.346 4.698 4.350 0.004 0.000 0.287 433 T C 0.887 175.036 174.700 -0.918 0.000 0.991 433 T CA -0.239 61.452 62.100 -0.682 0.000 0.964 433 T CB 1.524 70.115 68.868 -0.462 0.000 0.954 433 T HN 0.810 nan 8.240 nan 0.000 0.438 434 G N 2.760 111.294 108.800 -0.444 0.000 2.414 434 G HA2 0.126 4.088 3.960 0.004 0.000 0.215 434 G HA3 0.126 4.088 3.960 0.004 0.000 0.215 434 G C 0.321 175.167 174.900 -0.090 0.000 1.188 434 G CA 0.579 45.592 45.100 -0.144 0.000 0.783 434 G HN 0.682 nan 8.290 nan 0.000 0.537 435 I N -1.027 119.507 120.570 -0.060 0.000 2.534 435 I HA 0.290 4.462 4.170 0.004 0.000 0.288 435 I C -1.769 174.278 176.117 -0.117 0.000 1.077 435 I CA -1.012 60.223 61.300 -0.109 0.000 1.051 435 I CB 2.619 40.616 38.000 -0.005 0.000 1.234 435 I HN -0.019 nan 8.210 nan 0.000 0.425 436 Y N 7.219 127.273 120.300 -0.411 0.000 2.388 436 Y HA 0.491 5.044 4.550 0.004 0.000 0.328 436 Y C -1.384 174.241 175.900 -0.459 0.000 0.963 436 Y CA -1.937 55.972 58.100 -0.318 0.000 1.240 436 Y CB 0.869 39.176 38.460 -0.255 0.000 1.118 436 Y HN 0.312 nan 8.280 nan 0.000 0.484 437 F N 6.113 126.060 119.950 -0.005 0.000 2.334 437 F HA 0.467 4.997 4.527 0.004 0.000 0.365 437 F C 0.797 176.419 175.800 -0.295 0.000 1.124 437 F CA -0.427 57.451 58.000 -0.204 0.000 1.166 437 F CB 0.344 39.268 39.000 -0.125 0.000 1.355 437 F HN 0.295 nan 8.300 nan 0.000 0.532 438 R N 0.726 120.954 120.500 -0.453 0.000 2.707 438 R HA 0.214 4.556 4.340 0.004 0.000 0.270 438 R C 0.227 176.412 176.300 -0.191 0.000 1.083 438 R CA -0.456 55.365 56.100 -0.465 0.000 1.182 438 R CB 0.416 30.354 30.300 -0.603 0.000 1.084 438 R HN 0.350 nan 8.270 nan 0.000 0.528 439 T N 4.550 119.029 114.554 -0.126 0.000 2.792 439 T HA 0.048 4.400 4.350 0.004 0.000 0.286 439 T C -2.014 172.624 174.700 -0.103 0.000 0.970 439 T CA -0.700 61.347 62.100 -0.089 0.000 1.187 439 T CB 0.254 69.087 68.868 -0.058 0.000 0.915 439 T HN 0.334 nan 8.240 nan 0.000 0.529 440 P HA 0.164 nan 4.420 nan 0.000 0.274 440 P C 0.907 178.165 177.300 -0.070 0.000 1.260 440 P CA -0.339 62.706 63.100 -0.093 0.000 0.793 440 P CB 0.361 32.007 31.700 -0.090 0.000 1.048 441 T N -4.515 110.004 114.554 -0.059 0.000 3.129 441 T HA 0.376 4.729 4.350 0.004 0.000 0.267 441 T C 0.195 174.877 174.700 -0.031 0.000 1.018 441 T CA -0.144 61.932 62.100 -0.041 0.000 0.903 441 T CB -0.720 68.128 68.868 -0.034 0.000 1.067 441 T HN 0.518 nan 8.240 nan 0.000 0.549 442 S N -0.436 115.244 115.700 -0.032 0.000 2.615 442 S HA 0.512 4.985 4.470 0.004 0.000 0.269 442 S C -0.681 173.911 174.600 -0.013 0.000 1.161 442 S CA -0.846 57.343 58.200 -0.018 0.000 0.817 442 S CB 0.953 64.143 63.200 -0.016 0.000 1.131 442 S HN 0.081 nan 8.310 nan 0.000 0.467 443 T N 2.892 117.450 114.554 0.007 0.000 2.928 443 T HA 0.269 4.621 4.350 0.004 0.000 0.305 443 T C -0.216 174.516 174.700 0.053 0.000 1.035 443 T CA 0.025 62.145 62.100 0.032 0.000 1.145 443 T CB 0.136 69.030 68.868 0.045 0.000 0.963 443 T HN 0.467 nan 8.240 nan 0.000 0.545 444 Q N 1.398 121.261 119.800 0.105 0.000 2.204 444 Q HA 0.665 5.007 4.340 0.004 0.000 0.254 444 Q C 0.204 176.373 176.000 0.281 0.000 0.981 444 Q CA -0.615 55.279 55.803 0.151 0.000 0.897 444 Q CB 2.078 30.878 28.738 0.104 0.000 1.273 444 Q HN 0.861 nan 8.270 nan 0.000 0.464 445 S N -1.101 114.706 115.700 0.179 0.000 2.998 445 S HA 0.394 4.866 4.470 0.004 0.000 0.323 445 S C -0.339 174.285 174.600 0.039 0.000 1.141 445 S CA -0.841 57.388 58.200 0.049 0.000 0.873 445 S CB 0.635 63.849 63.200 0.024 0.000 1.315 445 S HN 0.700 nan 8.310 nan 0.000 0.637 446 H N 0.733 119.807 119.070 0.007 0.000 2.848 446 H HA 0.465 5.023 4.556 0.004 0.000 0.341 446 H C -1.071 174.319 175.328 0.104 0.000 1.060 446 H CA 0.096 56.197 56.048 0.087 0.000 1.444 446 H CB 0.058 29.965 29.762 0.242 0.000 1.446 446 H HN 0.544 nan 8.280 nan 0.000 0.583 447 K N 4.990 125.394 120.400 0.007 0.000 2.604 447 K HA 0.392 4.714 4.320 0.004 0.000 0.247 447 K C -0.604 176.129 176.600 0.222 0.000 0.956 447 K CA -0.370 56.019 56.287 0.170 0.000 0.896 447 K CB 1.523 33.962 32.500 -0.101 0.000 1.131 447 K HN 0.521 nan 8.250 nan 0.000 0.440 448 I N 2.814 123.613 120.570 0.383 0.000 2.353 448 I HA 0.298 4.470 4.170 0.004 0.000 0.293 448 I C -0.467 175.824 176.117 0.289 0.000 0.992 448 I CA -1.098 60.393 61.300 0.317 0.000 1.268 448 I CB 1.681 39.855 38.000 0.291 0.000 1.387 448 I HN 0.160 nan 8.210 nan 0.000 0.478 449 V N 5.288 125.346 119.914 0.241 0.000 2.409 449 V HA 0.440 4.563 4.120 0.004 0.000 0.290 449 V C -0.415 175.724 176.094 0.075 0.000 1.017 449 V CA -0.399 62.023 62.300 0.204 0.000 0.841 449 V CB 1.490 33.492 31.823 0.298 0.000 1.003 449 V HN 0.838 nan 8.190 nan 0.000 0.426 450 S N 2.385 118.083 115.700 -0.004 0.000 2.571 450 S HA 0.732 5.204 4.470 0.004 0.000 0.284 450 S C 0.430 174.992 174.600 -0.062 0.000 1.128 450 S CA -0.008 58.186 58.200 -0.010 0.000 0.970 450 S CB 1.782 64.996 63.200 0.022 0.000 1.039 450 S HN 2.221 nan 8.310 nan 0.000 0.485 451 G N 1.187 109.965 108.800 -0.037 0.000 2.246 451 G HA2 -0.167 3.795 3.960 0.004 0.000 0.273 451 G HA3 -0.167 3.795 3.960 0.004 0.000 0.273 451 G C -0.197 174.660 174.900 -0.071 0.000 1.055 451 G CA 0.094 45.174 45.100 -0.032 0.000 0.851 451 G HN 1.349 nan 8.290 nan 0.000 0.500 452 V N 0.035 119.880 119.914 -0.115 0.000 2.398 452 V HA 0.522 4.644 4.120 0.004 0.000 0.286 452 V C 0.289 176.357 176.094 -0.044 0.000 1.026 452 V CA -0.900 61.307 62.300 -0.154 0.000 0.868 452 V CB 1.751 33.361 31.823 -0.354 0.000 0.982 452 V HN 0.500 nan 8.190 nan 0.000 0.443 453 H N 5.078 124.097 119.070 -0.085 0.000 2.519 453 H HA 0.628 5.186 4.556 0.004 0.000 0.316 453 H C -0.675 174.497 175.328 -0.261 0.000 1.065 453 H CA -0.458 55.515 56.048 -0.124 0.000 1.264 453 H CB 0.844 30.584 29.762 -0.037 0.000 1.413 453 H HN 0.599 nan 8.280 nan 0.000 0.465 454 I N 5.056 125.407 120.570 -0.366 0.000 2.420 454 I HA 0.208 4.381 4.170 0.004 0.000 0.282 454 I C -0.601 175.344 176.117 -0.286 0.000 1.019 454 I CA -0.860 60.293 61.300 -0.246 0.000 1.130 454 I CB 1.113 39.061 38.000 -0.087 0.000 1.262 454 I HN 0.593 nan 8.210 nan 0.000 0.454 455 N N 3.708 122.216 118.700 -0.321 0.000 2.426 455 N HA 0.324 5.067 4.740 0.004 0.000 0.275 455 N C 0.766 176.131 175.510 -0.241 0.000 1.019 455 N CA -0.238 52.650 53.050 -0.269 0.000 0.941 455 N CB 1.817 40.114 38.487 -0.316 0.000 1.123 455 N HN 0.658 nan 8.380 nan 0.000 0.486 456 T N -2.376 112.080 114.554 -0.163 0.000 3.043 456 T HA 0.373 4.726 4.350 0.004 0.000 0.272 456 T C 0.605 175.204 174.700 -0.168 0.000 0.990 456 T CA -0.476 61.554 62.100 -0.118 0.000 0.897 456 T CB 0.145 69.078 68.868 0.107 0.000 1.111 456 T HN 0.406 nan 8.240 nan 0.000 0.529 457 A N 2.856 125.574 122.820 -0.170 0.000 2.477 457 A HA 0.614 4.936 4.320 0.004 0.000 0.246 457 A C 0.449 177.940 177.584 -0.155 0.000 1.078 457 A CA -0.344 51.615 52.037 -0.131 0.000 0.770 457 A CB -0.100 18.839 19.000 -0.102 0.000 1.011 457 A HN 0.793 nan 8.150 nan 0.000 0.494 458 N N 0.866 119.502 118.700 -0.106 0.000 3.449 458 N HA 0.214 4.957 4.740 0.004 0.000 0.312 458 N C -0.871 174.606 175.510 -0.056 0.000 1.582 458 N CA -0.732 52.264 53.050 -0.090 0.000 0.850 458 N CB 0.397 38.823 38.487 -0.101 0.000 1.822 458 N HN 0.314 nan 8.380 nan 0.000 0.577 459 K N -0.613 119.763 120.400 -0.040 0.000 2.570 459 K HA 0.186 4.508 4.320 0.004 0.000 0.210 459 K C -0.186 176.398 176.600 -0.026 0.000 1.048 459 K CA -0.346 55.923 56.287 -0.030 0.000 1.167 459 K CB -0.504 31.983 32.500 -0.022 0.000 0.892 459 K HN 0.413 nan 8.250 nan 0.000 0.480 460 N N 1.423 120.106 118.700 -0.028 0.000 2.431 460 N HA -0.021 4.722 4.740 0.004 0.000 0.265 460 N C 0.458 175.946 175.510 -0.037 0.000 1.184 460 N CA 0.434 53.468 53.050 -0.027 0.000 0.943 460 N CB 0.960 39.433 38.487 -0.023 0.000 1.080 460 N HN -0.028 nan 8.380 nan 0.000 0.477 461 T N 2.031 116.567 114.554 -0.031 0.000 3.007 461 T HA -0.035 4.318 4.350 0.004 0.000 0.270 461 T C 1.588 176.264 174.700 -0.040 0.000 1.107 461 T CA 1.059 63.139 62.100 -0.032 0.000 1.118 461 T CB -0.134 68.721 68.868 -0.023 0.000 0.889 461 T HN 0.633 nan 8.240 nan 0.000 0.506 462 A N 1.135 123.929 122.820 -0.044 0.000 2.168 462 A HA 0.557 4.879 4.320 0.004 0.000 0.215 462 A C 1.784 179.314 177.584 -0.089 0.000 1.152 462 A CA 0.859 52.864 52.037 -0.053 0.000 0.716 462 A CB -0.850 18.123 19.000 -0.045 0.000 0.794 462 A HN 0.999 nan 8.150 nan 0.000 0.465 463 A N -0.048 122.710 122.820 -0.104 0.000 2.791 463 A HA -0.190 4.132 4.320 0.004 0.000 0.292 463 A C 0.398 177.826 177.584 -0.260 0.000 1.487 463 A CA 1.237 53.186 52.037 -0.148 0.000 0.760 463 A CB -2.363 16.568 19.000 -0.116 0.000 1.031 463 A HN 1.328 nan 8.150 nan 0.000 0.503 464 N N -1.036 117.499 118.700 -0.276 0.000 2.299 464 N HA 0.129 4.871 4.740 0.004 0.000 0.246 464 N C -0.380 174.897 175.510 -0.388 0.000 1.254 464 N CA -0.304 52.475 53.050 -0.451 0.000 0.879 464 N CB -0.231 38.082 38.487 -0.291 0.000 1.214 464 N HN 0.367 nan 8.380 nan 0.000 0.510 465 N N 1.917 120.460 118.700 -0.263 0.000 2.453 465 N HA 0.093 4.835 4.740 0.004 0.000 0.253 465 N C 0.011 175.400 175.510 -0.202 0.000 1.252 465 N CA 0.310 53.279 53.050 -0.135 0.000 0.917 465 N CB 0.573 39.050 38.487 -0.016 0.000 1.117 465 N HN 0.540 nan 8.380 nan 0.000 0.442 466 Q N -1.383 118.380 119.800 -0.062 0.000 2.391 466 Q HA 0.453 4.796 4.340 0.004 0.000 0.279 466 Q C -0.590 175.445 176.000 0.059 0.000 1.028 466 Q CA -0.774 55.034 55.803 0.009 0.000 0.836 466 Q CB 0.995 29.833 28.738 0.167 0.000 1.414 466 Q HN 0.264 nan 8.270 nan 0.000 0.397 467 S N 0.944 116.699 115.700 0.090 0.000 2.362 467 S HA 0.218 4.691 4.470 0.004 0.000 0.221 467 S C 0.618 175.274 174.600 0.093 0.000 1.032 467 S CA 0.644 58.891 58.200 0.079 0.000 0.973 467 S CB 0.040 63.263 63.200 0.038 0.000 0.849 467 S HN 0.542 nan 8.310 nan 0.000 0.465 468 I N 0.450 121.112 120.570 0.154 0.000 2.569 468 I HA 0.545 4.717 4.170 0.004 0.000 0.290 468 I C -0.992 175.259 176.117 0.223 0.000 1.088 468 I CA -0.749 60.675 61.300 0.206 0.000 1.047 468 I CB 2.096 40.286 38.000 0.315 0.000 1.237 468 I HN 0.044 nan 8.210 nan 0.000 0.421 469 A N 7.543 130.490 122.820 0.211 0.000 2.318 469 A HA 0.878 5.200 4.320 0.004 0.000 0.317 469 A C -0.833 176.940 177.584 0.315 0.000 1.159 469 A CA -0.419 51.742 52.037 0.207 0.000 0.799 469 A CB 0.861 19.915 19.000 0.091 0.000 1.194 469 A HN 0.672 nan 8.150 nan 0.000 0.479 470 I N 2.524 123.239 120.570 0.241 0.000 2.410 470 I HA 0.290 4.463 4.170 0.004 0.000 0.286 470 I C 0.052 176.245 176.117 0.126 0.000 1.009 470 I CA -0.180 61.249 61.300 0.215 0.000 1.111 470 I CB 1.811 39.908 38.000 0.161 0.000 1.262 470 I HN 0.740 nan 8.210 nan 0.000 0.443 471 E N 4.305 124.574 120.200 0.114 0.000 2.267 471 E HA 0.246 4.599 4.350 0.004 0.000 0.258 471 E C -0.439 176.160 176.600 -0.001 0.000 1.074 471 E CA -0.874 55.562 56.400 0.061 0.000 0.915 471 E CB 1.122 30.866 29.700 0.072 0.000 1.186 471 E HN 0.482 nan 8.360 nan 0.000 0.439 472 Q N 0.364 120.155 119.800 -0.015 0.000 2.304 472 Q HA -0.104 4.238 4.340 0.004 0.000 0.301 472 Q C -0.443 175.517 176.000 -0.067 0.000 1.063 472 Q CA 1.000 56.778 55.803 -0.043 0.000 0.947 472 Q CB 0.212 28.928 28.738 -0.036 0.000 1.201 472 Q HN 0.672 nan 8.270 nan 0.000 0.389 473 S N 0.624 116.266 115.700 -0.096 0.000 2.857 473 S HA -0.248 4.225 4.470 0.004 0.000 0.268 473 S C 0.134 174.635 174.600 -0.165 0.000 1.297 473 S CA 0.811 58.934 58.200 -0.127 0.000 1.280 473 S CB -1.478 61.663 63.200 -0.098 0.000 1.562 473 S HN 0.902 nan 8.310 nan 0.000 0.661 474 A N 1.294 124.022 122.820 -0.153 0.000 3.074 474 A HA 0.549 4.872 4.320 0.004 0.000 0.251 474 A C 0.656 178.060 177.584 -0.300 0.000 1.695 474 A CA -0.287 51.632 52.037 -0.195 0.000 1.343 474 A CB -1.004 17.928 19.000 -0.113 0.000 1.078 474 A HN 0.768 nan 8.150 nan 0.000 0.644 475 I N -4.221 116.119 120.570 -0.383 0.000 3.079 475 I HA 0.551 4.723 4.170 0.004 0.000 0.295 475 I C 0.001 175.749 176.117 -0.616 0.000 1.094 475 I CA -0.591 60.373 61.300 -0.560 0.000 1.295 475 I CB -0.021 37.512 38.000 -0.777 0.000 1.443 475 I HN 0.342 nan 8.210 nan 0.000 0.607 476 F N 0.620 120.341 119.950 -0.382 0.000 3.040 476 F HA -0.132 4.397 4.527 0.004 0.000 0.298 476 F C -0.333 174.748 175.800 -1.198 0.000 0.948 476 F CA -0.100 57.426 58.000 -0.789 0.000 1.022 476 F CB -2.399 36.346 39.000 -0.426 0.000 1.023 476 F HN 0.254 nan 8.300 nan 0.000 0.742 477 V N 1.821 121.229 119.914 -0.842 0.000 2.328 477 V HA 0.458 4.581 4.120 0.004 0.000 0.278 477 V C -0.007 175.757 176.094 -0.550 0.000 1.021 477 V CA -0.469 61.367 62.300 -0.772 0.000 0.838 477 V CB 1.108 32.467 31.823 -0.774 0.000 0.999 477 V HN 0.124 nan 8.190 nan 0.000 0.447 478 F N 4.474 124.347 119.950 -0.129 0.000 2.366 478 F HA 0.548 5.078 4.527 0.004 0.000 0.366 478 F C -0.004 175.725 175.800 -0.119 0.000 1.096 478 F CA -1.148 56.784 58.000 -0.114 0.000 1.060 478 F CB 1.500 40.493 39.000 -0.012 0.000 1.282 478 F HN 0.155 nan 8.300 nan 0.000 0.450 479 V N 2.834 122.685 119.914 -0.104 0.000 2.398 479 V HA 0.752 4.874 4.120 0.004 0.000 0.286 479 V C -0.190 175.897 176.094 -0.010 0.000 1.026 479 V CA -0.588 61.652 62.300 -0.100 0.000 0.868 479 V CB 1.543 33.187 31.823 -0.298 0.000 0.982 479 V HN 0.764 nan 8.190 nan 0.000 0.443 480 S N 2.135 117.863 115.700 0.047 0.000 2.541 480 S HA 0.720 5.192 4.470 0.004 0.000 0.271 480 S C 0.415 175.047 174.600 0.053 0.000 1.133 480 S CA -0.075 58.164 58.200 0.065 0.000 0.876 480 S CB 1.752 64.985 63.200 0.055 0.000 1.105 480 S HN 2.190 nan 8.310 nan 0.000 0.470 481 G N 0.511 109.349 108.800 0.063 0.000 2.283 481 G HA2 -0.223 3.739 3.960 0.004 0.000 0.280 481 G HA3 -0.223 3.739 3.960 0.004 0.000 0.280 481 G C 0.281 175.194 174.900 0.022 0.000 1.029 481 G CA 0.183 45.310 45.100 0.045 0.000 0.840 481 G HN 1.054 nan 8.290 nan 0.000 0.505 482 C N -0.602 118.703 119.300 0.008 0.000 2.401 482 C HA 0.858 5.320 4.460 0.004 0.000 0.356 482 C C 0.671 175.603 174.990 -0.097 0.000 1.192 482 C CA -0.317 58.676 59.018 -0.041 0.000 2.028 482 C CB 1.790 29.506 27.740 -0.040 0.000 2.344 482 C HN 0.517 nan 8.230 nan 0.000 0.525 483 T N 2.929 117.384 114.554 -0.164 0.000 2.786 483 T HA 0.608 4.961 4.350 0.004 0.000 0.283 483 T C -0.827 173.665 174.700 -0.347 0.000 0.992 483 T CA -0.152 61.787 62.100 -0.268 0.000 0.954 483 T CB 0.367 69.031 68.868 -0.340 0.000 0.934 483 T HN 0.397 nan 8.240 nan 0.000 0.440 484 L N 3.842 124.882 121.223 -0.304 0.000 2.376 484 L HA 0.626 4.969 4.340 0.004 0.000 0.275 484 L C 0.642 177.422 176.870 -0.150 0.000 0.987 484 L CA -0.899 53.787 54.840 -0.257 0.000 0.828 484 L CB 1.966 43.781 42.059 -0.407 0.000 1.249 484 L HN 0.700 nan 8.230 nan 0.000 0.409 485 T N -0.675 113.813 114.554 -0.110 0.000 2.938 485 T HA 0.980 5.332 4.350 0.004 0.000 0.285 485 T C 0.017 174.707 174.700 -0.016 0.000 1.028 485 T CA -0.403 61.663 62.100 -0.057 0.000 1.005 485 T CB 2.564 71.377 68.868 -0.090 0.000 1.157 485 T HN 0.804 nan 8.240 nan 0.000 0.550 486 G N -0.267 108.517 108.800 -0.026 0.000 2.427 486 G HA2 0.483 4.445 3.960 0.004 0.000 0.306 486 G HA3 0.483 4.445 3.960 0.004 0.000 0.306 486 G C -1.187 173.648 174.900 -0.109 0.000 1.280 486 G CA -0.455 44.606 45.100 -0.064 0.000 0.837 486 G HN 0.612 nan 8.290 nan 0.000 0.482 487 D N -0.601 119.672 120.400 -0.212 0.000 2.685 487 D HA 0.142 4.785 4.640 0.004 0.000 0.254 487 D C 1.780 177.938 176.300 -0.237 0.000 1.414 487 D CA 0.399 54.270 54.000 -0.216 0.000 1.145 487 D CB -0.158 40.486 40.800 -0.260 0.000 0.941 487 D HN 0.478 nan 8.370 nan 0.000 0.250 488 E N -0.669 119.292 120.200 -0.398 0.000 2.150 488 E HA -0.069 4.284 4.350 0.004 0.000 0.193 488 E C -0.231 176.340 176.600 -0.049 0.000 0.985 488 E CA 0.715 56.961 56.400 -0.257 0.000 0.814 488 E CB 0.275 29.771 29.700 -0.339 0.000 0.752 488 E HN 0.285 nan 8.360 nan 0.000 0.466 489 W N -3.121 118.173 121.300 -0.009 0.000 3.083 489 W HA 0.693 5.356 4.660 0.004 0.000 0.333 489 W C 0.032 176.559 176.519 0.013 0.000 1.217 489 W CA -0.272 57.068 57.345 -0.010 0.000 1.170 489 W CB 0.664 30.105 29.460 -0.031 0.000 1.437 489 W HN -0.263 nan 8.180 nan 0.000 0.557 490 A N 0.613 123.612 122.820 0.298 0.000 1.956 490 A HA 0.486 4.808 4.320 0.004 0.000 0.212 490 A C -0.026 177.743 177.584 0.308 0.000 1.188 490 A CA 0.927 53.104 52.037 0.234 0.000 0.675 490 A CB -0.217 18.919 19.000 0.228 0.000 0.845 490 A HN 0.508 nan 8.150 nan 0.000 0.455 491 V N 0.522 120.646 119.914 0.350 0.000 2.760 491 V HA 0.437 4.560 4.120 0.004 0.000 0.309 491 V C -1.441 174.670 176.094 0.028 0.000 1.077 491 V CA -0.878 61.557 62.300 0.225 0.000 0.910 491 V CB 1.854 33.760 31.823 0.138 0.000 1.008 491 V HN 0.432 nan 8.190 nan 0.000 0.424 492 N N 3.400 122.060 118.700 -0.065 0.000 2.346 492 N HA 0.652 5.395 4.740 0.004 0.000 0.289 492 N C -1.421 174.015 175.510 -0.123 0.000 1.027 492 N CA -0.375 52.457 53.050 -0.365 0.000 0.864 492 N CB 1.454 39.507 38.487 -0.724 0.000 1.370 492 N HN 0.639 nan 8.380 nan 0.000 0.481 493 I N 2.872 123.376 120.570 -0.109 0.000 2.418 493 I HA 0.424 4.596 4.170 0.004 0.000 0.287 493 I C -0.786 175.332 176.117 0.001 0.000 1.008 493 I CA -1.040 60.275 61.300 0.025 0.000 1.104 493 I CB 1.848 39.936 38.000 0.147 0.000 1.264 493 I HN 0.114 nan 8.210 nan 0.000 0.438 494 V N 4.793 124.706 119.914 -0.002 0.000 2.531 494 V HA 0.315 4.437 4.120 0.004 0.000 0.301 494 V C -0.169 175.915 176.094 -0.017 0.000 1.034 494 V CA -0.569 61.718 62.300 -0.022 0.000 0.865 494 V CB 1.564 33.365 31.823 -0.036 0.000 0.995 494 V HN 0.826 nan 8.190 nan 0.000 0.424 495 D N 2.561 122.945 120.400 -0.027 0.000 2.772 495 D HA -0.154 4.489 4.640 0.004 0.000 0.233 495 D C -0.167 176.104 176.300 -0.048 0.000 1.143 495 D CA 0.814 54.791 54.000 -0.039 0.000 0.700 495 D CB -0.261 40.517 40.800 -0.037 0.000 1.076 495 D HN 0.241 nan 8.370 nan 0.000 0.430 496 I N 0.773 121.318 120.570 -0.043 0.000 2.437 496 I HA 0.149 4.322 4.170 0.004 0.000 0.298 496 I C 1.380 177.454 176.117 -0.072 0.000 0.984 496 I CA -0.259 61.006 61.300 -0.058 0.000 1.214 496 I CB 1.685 39.668 38.000 -0.029 0.000 1.365 496 I HN -0.152 nan 8.210 nan 0.000 0.469 497 N N 3.571 122.219 118.700 -0.087 0.000 2.210 497 N HA 0.080 4.823 4.740 0.004 0.000 0.203 497 N C -0.232 175.232 175.510 -0.076 0.000 1.175 497 N CA 0.129 53.126 53.050 -0.088 0.000 0.894 497 N CB 1.323 39.759 38.487 -0.084 0.000 1.041 497 N HN 0.722 nan 8.380 nan 0.000 0.506 498 E N -1.853 118.299 120.200 -0.080 0.000 2.401 498 E HA 0.297 4.649 4.350 0.004 0.000 0.280 498 E C -0.829 175.738 176.600 -0.055 0.000 1.039 498 E CA -0.671 55.699 56.400 -0.050 0.000 0.814 498 E CB 1.276 30.950 29.700 -0.043 0.000 1.275 498 E HN -0.024 nan 8.360 nan 0.000 0.448 499 C N 0.384 119.710 119.300 0.043 0.000 4.300 499 C HA -0.058 4.405 4.460 0.004 0.000 0.304 499 C C 0.010 175.053 174.990 0.088 0.000 1.367 499 C CA 0.470 59.584 59.018 0.160 0.000 2.032 499 C CB -2.799 25.095 27.740 0.256 0.000 1.285 499 C HN 0.466 nan 8.230 nan 0.000 0.737 500 V N 1.219 121.174 119.914 0.069 0.000 2.588 500 V HA 0.858 4.981 4.120 0.004 0.000 0.304 500 V C 0.140 176.290 176.094 0.093 0.000 1.042 500 V CA 0.294 62.606 62.300 0.020 0.000 0.877 500 V CB 2.512 34.345 31.823 0.017 0.000 0.996 500 V HN 0.680 nan 8.190 nan 0.000 0.425 501 S N 3.609 119.304 115.700 -0.009 0.000 2.564 501 S HA 0.862 5.335 4.470 0.004 0.000 0.274 501 S C -1.382 172.995 174.600 -0.371 0.000 1.124 501 S CA -0.653 57.551 58.200 0.008 0.000 0.869 501 S CB 1.925 65.199 63.200 0.123 0.000 1.105 501 S HN 0.318 nan 8.310 nan 0.000 0.472 502 F N 0.580 120.640 119.950 0.184 0.000 2.536 502 F HA 0.532 5.061 4.527 0.004 0.000 0.322 502 F C -0.730 175.176 175.800 0.177 0.000 1.144 502 F CA -0.441 57.682 58.000 0.205 0.000 0.924 502 F CB 2.053 41.238 39.000 0.308 0.000 1.181 502 F HN 0.571 nan 8.300 nan 0.000 0.438 503 D N 2.768 123.311 120.400 0.239 0.000 2.629 503 D HA 0.477 5.119 4.640 0.004 0.000 0.250 503 D C -0.699 175.704 176.300 0.171 0.000 1.126 503 D CA -0.776 53.332 54.000 0.180 0.000 0.852 503 D CB 1.551 42.411 40.800 0.099 0.000 1.335 503 D HN 0.286 nan 8.370 nan 0.000 0.518 504 K N -0.017 120.489 120.400 0.176 0.000 3.096 504 K HA -0.154 4.169 4.320 0.004 0.000 0.266 504 K C -1.012 175.679 176.600 0.152 0.000 1.043 504 K CA 0.302 56.679 56.287 0.150 0.000 0.758 504 K CB -1.859 30.702 32.500 0.102 0.000 1.260 504 K HN 0.460 nan 8.250 nan 0.000 0.481 505 C N 0.044 119.471 119.300 0.212 0.000 2.366 505 C HA 0.650 5.113 4.460 0.004 0.000 0.345 505 C C 0.693 175.787 174.990 0.172 0.000 1.209 505 C CA -0.965 58.134 59.018 0.134 0.000 2.050 505 C CB 0.362 28.170 27.740 0.114 0.000 2.359 505 C HN 0.382 nan 8.230 nan 0.000 0.527 506 I N 2.714 123.308 120.570 0.040 0.000 2.355 506 I HA 0.368 4.540 4.170 0.004 0.000 0.288 506 I C -0.520 175.602 176.117 0.009 0.000 0.999 506 I CA 0.211 61.585 61.300 0.122 0.000 1.163 506 I CB 0.314 38.325 38.000 0.018 0.000 1.316 506 I HN 0.414 nan 8.210 nan 0.000 0.454 507 F N 4.772 124.805 119.950 0.139 0.000 2.399 507 F HA 0.419 4.948 4.527 0.004 0.000 0.334 507 F C 1.420 177.283 175.800 0.106 0.000 1.097 507 F CA -0.358 57.690 58.000 0.081 0.000 1.076 507 F CB 0.994 40.020 39.000 0.043 0.000 1.162 507 F HN 0.441 nan 8.300 nan 0.000 0.495 508 N N 1.167 119.995 118.700 0.214 0.000 2.181 508 N HA 0.092 4.834 4.740 0.004 0.000 0.207 508 N C -0.085 175.500 175.510 0.125 0.000 1.182 508 N CA 0.204 53.342 53.050 0.146 0.000 0.893 508 N CB 0.797 39.319 38.487 0.058 0.000 1.032 508 N HN 0.394 nan 8.380 nan 0.000 0.513 509 K N 0.609 121.104 120.400 0.157 0.000 2.495 509 K HA 0.519 4.842 4.320 0.004 0.000 0.268 509 K C -2.765 173.924 176.600 0.148 0.000 1.008 509 K CA -1.852 54.505 56.287 0.117 0.000 0.882 509 K CB 1.473 34.016 32.500 0.073 0.000 1.443 509 K HN -0.291 nan 8.250 nan 0.000 0.447 510 P HA 0.073 nan 4.420 nan 0.000 0.269 510 P C -0.579 176.725 177.300 0.006 0.000 1.215 510 P CA -0.471 62.640 63.100 0.017 0.000 0.780 510 P CB 0.387 32.111 31.700 0.041 0.000 0.898 511 L N 3.282 124.347 121.223 -0.264 0.000 2.260 511 L HA 0.374 4.716 4.340 0.004 0.000 0.289 511 L C 0.106 176.696 176.870 -0.467 0.000 1.057 511 L CA -0.036 54.553 54.840 -0.417 0.000 0.811 511 L CB -0.147 41.447 42.059 -0.775 0.000 1.184 511 L HN 0.237 nan 8.230 nan 0.000 0.429 512 R N 4.083 124.326 120.500 -0.427 0.000 2.445 512 R HA 0.503 4.845 4.340 0.004 0.000 0.308 512 R C -1.702 174.320 176.300 -0.463 0.000 0.961 512 R CA -0.556 55.292 56.100 -0.420 0.000 0.862 512 R CB 0.987 31.030 30.300 -0.429 0.000 1.144 512 R HN 0.604 nan 8.270 nan 0.000 0.447 513 Y N 3.754 123.969 120.300 -0.141 0.000 2.393 513 Y HA 0.441 4.993 4.550 0.004 0.000 0.341 513 Y C -0.604 175.219 175.900 -0.128 0.000 0.988 513 Y CA -1.083 56.947 58.100 -0.117 0.000 1.078 513 Y CB 1.881 40.299 38.460 -0.070 0.000 1.203 513 Y HN 0.406 nan 8.280 nan 0.000 0.453 514 L N 4.293 125.535 121.223 0.032 0.000 2.372 514 L HA 0.574 4.916 4.340 0.004 0.000 0.274 514 L C 0.013 176.872 176.870 -0.019 0.000 0.988 514 L CA -0.822 54.004 54.840 -0.024 0.000 0.833 514 L CB 1.037 43.047 42.059 -0.082 0.000 1.236 514 L HN 0.723 nan 8.230 nan 0.000 0.410 515 R N 2.475 122.957 120.500 -0.030 0.000 3.322 515 R HA -0.161 4.182 4.340 0.004 0.000 0.253 515 R C -0.479 175.783 176.300 -0.063 0.000 0.987 515 R CA 0.934 57.003 56.100 -0.051 0.000 0.666 515 R CB -1.922 28.350 30.300 -0.047 0.000 1.072 515 R HN 0.675 nan 8.270 nan 0.000 0.447 516 S N -1.388 114.267 115.700 -0.075 0.000 2.599 516 S HA 0.887 5.359 4.470 0.004 0.000 0.294 516 S C 0.273 174.748 174.600 -0.209 0.000 1.094 516 S CA -0.198 57.942 58.200 -0.101 0.000 0.931 516 S CB 2.464 65.658 63.200 -0.010 0.000 1.093 516 S HN 0.496 nan 8.310 nan 0.000 0.488 517 G N -0.862 107.825 108.800 -0.189 0.000 2.687 517 G HA2 0.567 4.529 3.960 0.004 0.000 0.291 517 G HA3 0.567 4.529 3.960 0.004 0.000 0.291 517 G C 0.332 175.147 174.900 -0.143 0.000 1.420 517 G CA 0.024 44.992 45.100 -0.220 0.000 0.796 517 G HN 1.545 nan 8.290 nan 0.000 0.485 518 G N -1.814 106.916 108.800 -0.117 0.000 2.179 518 G HA2 -0.052 3.911 3.960 0.004 0.000 0.257 518 G HA3 -0.052 3.911 3.960 0.004 0.000 0.257 518 G C 0.221 175.105 174.900 -0.027 0.000 1.010 518 G CA 0.485 45.551 45.100 -0.056 0.000 0.736 518 G HN 1.414 nan 8.290 nan 0.000 0.513 519 V N 1.271 121.156 119.914 -0.049 0.000 2.465 519 V HA 0.662 4.784 4.120 0.004 0.000 0.279 519 V C 0.832 176.924 176.094 -0.003 0.000 1.045 519 V CA 0.087 62.422 62.300 0.059 0.000 0.938 519 V CB 1.668 33.616 31.823 0.208 0.000 0.986 519 V HN 0.920 nan 8.190 nan 0.000 0.467 520 S N 4.136 119.880 115.700 0.073 0.000 2.509 520 S HA 0.805 5.278 4.470 0.004 0.000 0.297 520 S C -0.882 173.804 174.600 0.143 0.000 1.118 520 S CA -0.686 57.531 58.200 0.029 0.000 1.074 520 S CB 1.815 65.038 63.200 0.039 0.000 1.038 520 S HN 0.429 nan 8.310 nan 0.000 0.498 521 V N 2.779 122.741 119.914 0.081 0.000 2.462 521 V HA 0.507 4.630 4.120 0.004 0.000 0.288 521 V C -0.596 175.621 176.094 0.204 0.000 1.020 521 V CA -0.417 62.016 62.300 0.222 0.000 0.857 521 V CB 1.482 33.453 31.823 0.246 0.000 1.013 521 V HN 1.062 nan 8.190 nan 0.000 0.431 522 T N 3.250 117.929 114.554 0.208 0.000 2.847 522 T HA 0.395 4.747 4.350 0.004 0.000 0.291 522 T C -0.300 174.498 174.700 0.164 0.000 0.998 522 T CA -0.381 61.812 62.100 0.156 0.000 0.967 522 T CB 0.994 69.928 68.868 0.110 0.000 0.954 522 T HN 0.763 nan 8.240 nan 0.000 0.441 523 D N 0.807 121.294 120.400 0.145 0.000 2.708 523 D HA -0.149 4.493 4.640 0.004 0.000 0.236 523 D C 0.004 176.414 176.300 0.183 0.000 1.146 523 D CA 0.506 54.589 54.000 0.139 0.000 0.662 523 D CB -1.619 39.247 40.800 0.110 0.000 1.059 523 D HN 0.475 nan 8.370 nan 0.000 0.428 524 C N 0.168 119.601 119.300 0.221 0.000 2.351 524 C HA 0.462 4.925 4.460 0.004 0.000 0.359 524 C C 0.621 175.779 174.990 0.279 0.000 1.193 524 C CA -0.859 58.337 59.018 0.296 0.000 2.270 524 C CB 0.767 28.745 27.740 0.397 0.000 2.369 524 C HN 0.363 nan 8.230 nan 0.000 0.553 525 Y N 2.304 122.734 120.300 0.216 0.000 2.385 525 Y HA 0.597 5.150 4.550 0.004 0.000 0.341 525 Y C -0.310 175.715 175.900 0.209 0.000 0.965 525 Y CA -0.221 57.979 58.100 0.167 0.000 1.180 525 Y CB 0.107 38.647 38.460 0.134 0.000 1.139 525 Y HN 0.522 nan 8.280 nan 0.000 0.502 526 L N 5.392 126.536 121.223 -0.131 0.000 2.375 526 L HA 0.720 5.062 4.340 0.004 0.000 0.268 526 L C 0.123 176.920 176.870 -0.121 0.000 1.058 526 L CA -0.927 53.826 54.840 -0.145 0.000 0.803 526 L CB 1.552 43.468 42.059 -0.239 0.000 1.212 526 L HN 0.756 nan 8.230 nan 0.000 0.451 527 A N 1.788 124.575 122.820 -0.056 0.000 3.234 527 A HA 0.653 4.975 4.320 0.004 0.000 0.247 527 A C 0.086 177.645 177.584 -0.041 0.000 0.938 527 A CA 0.123 52.161 52.037 0.002 0.000 1.039 527 A CB 0.241 19.316 19.000 0.124 0.000 1.197 527 A HN 0.963 nan 8.150 nan 0.000 0.498 528 G N -0.185 108.551 108.800 -0.106 0.000 2.674 528 G HA2 0.154 4.117 3.960 0.004 0.000 0.686 528 G HA3 0.154 4.117 3.960 0.004 0.000 0.686 528 G C -1.038 173.762 174.900 -0.166 0.000 1.195 528 G CA -0.609 44.431 45.100 -0.100 0.000 0.776 528 G HN 0.756 nan 8.290 nan 0.000 0.654 529 I N 1.084 121.576 120.570 -0.131 0.000 2.466 529 I HA 0.477 4.649 4.170 0.004 0.000 0.289 529 I C -0.025 176.050 176.117 -0.070 0.000 1.026 529 I CA -0.770 60.445 61.300 -0.141 0.000 1.078 529 I CB 2.590 40.533 38.000 -0.095 0.000 1.249 529 I HN 0.465 nan 8.210 nan 0.000 0.429 530 T N 4.756 119.259 114.554 -0.086 0.000 2.893 530 T HA 0.223 4.576 4.350 0.004 0.000 0.324 530 T C -0.380 174.323 174.700 0.004 0.000 1.082 530 T CA -0.421 61.662 62.100 -0.028 0.000 0.983 530 T CB 0.591 69.450 68.868 -0.016 0.000 1.005 530 T HN 0.523 nan 8.240 nan 0.000 0.475 531 E N 3.347 123.592 120.200 0.075 0.000 2.109 531 E HA 0.495 4.848 4.350 0.004 0.000 0.278 531 E C -1.079 175.558 176.600 0.062 0.000 0.954 531 E CA -0.620 55.870 56.400 0.151 0.000 0.779 531 E CB 0.720 30.519 29.700 0.164 0.000 1.093 531 E HN 0.295 nan 8.360 nan 0.000 0.401 532 V N 5.258 125.200 119.914 0.046 0.000 2.448 532 V HA 0.179 4.301 4.120 0.004 0.000 0.295 532 V C -0.170 175.920 176.094 -0.006 0.000 1.025 532 V CA -0.683 61.620 62.300 0.006 0.000 0.859 532 V CB 1.442 33.254 31.823 -0.019 0.000 0.988 532 V HN 0.921 nan 8.190 nan 0.000 0.431 533 Q N 1.224 121.016 119.800 -0.015 0.000 2.452 533 Q HA -0.220 4.122 4.340 0.004 0.000 0.318 533 Q C 0.278 176.252 176.000 -0.044 0.000 1.386 533 Q CA 0.691 56.478 55.803 -0.027 0.000 0.872 533 Q CB -0.743 27.977 28.738 -0.029 0.000 1.151 533 Q HN 0.774 nan 8.270 nan 0.000 0.417 534 K N 1.678 122.050 120.400 -0.047 0.000 2.453 534 K HA 0.105 4.427 4.320 0.004 0.000 0.280 534 K C -2.222 174.315 176.600 -0.104 0.000 1.045 534 K CA -1.016 55.221 56.287 -0.084 0.000 1.059 534 K CB 0.525 32.978 32.500 -0.078 0.000 0.901 534 K HN -0.055 nan 8.250 nan 0.000 0.475 535 P HA 0.015 nan 4.420 nan 0.000 0.276 535 P C -0.953 176.238 177.300 -0.181 0.000 1.230 535 P CA -0.292 62.725 63.100 -0.138 0.000 0.776 535 P CB 0.761 32.376 31.700 -0.142 0.000 0.888 536 E N 1.935 122.053 120.200 -0.136 0.000 2.452 536 E HA 0.141 4.493 4.350 0.004 0.000 0.261 536 E C 1.016 177.494 176.600 -0.203 0.000 0.987 536 E CA 0.843 57.160 56.400 -0.138 0.000 0.926 536 E CB -0.277 29.378 29.700 -0.075 0.000 0.934 536 E HN 0.781 nan 8.360 nan 0.000 0.452 537 G N 4.236 112.869 108.800 -0.279 0.000 2.184 537 G HA2 -0.307 3.656 3.960 0.004 0.000 0.264 537 G HA3 -0.307 3.656 3.960 0.004 0.000 0.264 537 G C 0.091 174.615 174.900 -0.627 0.000 0.975 537 G CA 0.472 45.384 45.100 -0.314 0.000 0.642 537 G HN 0.558 nan 8.290 nan 0.000 0.536 538 R N -0.802 119.208 120.500 -0.816 0.000 2.562 538 R HA 0.689 5.031 4.340 0.004 0.000 0.298 538 R C -1.140 174.594 176.300 -0.945 0.000 0.961 538 R CA -0.677 55.012 56.100 -0.686 0.000 0.881 538 R CB 1.372 31.464 30.300 -0.347 0.000 1.159 538 R HN 0.212 nan 8.270 nan 0.000 0.450 539 Y N 0.040 120.280 120.300 -0.100 0.000 2.553 539 Y HA 0.364 4.916 4.550 0.004 0.000 0.347 539 Y C 0.077 175.876 175.900 -0.168 0.000 1.019 539 Y CA -1.202 56.828 58.100 -0.115 0.000 1.032 539 Y CB 1.679 40.096 38.460 -0.073 0.000 1.284 539 Y HN 0.408 nan 8.280 nan 0.000 0.466 540 N N 0.057 118.720 118.700 -0.061 0.000 2.472 540 N HA 0.447 5.189 4.740 0.004 0.000 0.289 540 N C -1.078 174.272 175.510 -0.266 0.000 1.156 540 N CA -0.446 52.451 53.050 -0.256 0.000 0.940 540 N CB 1.694 39.888 38.487 -0.489 0.000 1.200 540 N HN 0.529 nan 8.380 nan 0.000 0.511 541 T N 1.834 116.183 114.554 -0.342 0.000 2.788 541 T HA 0.374 4.727 4.350 0.004 0.000 0.296 541 T C -0.833 173.663 174.700 -0.340 0.000 1.009 541 T CA -0.277 61.689 62.100 -0.223 0.000 0.949 541 T CB -0.177 68.636 68.868 -0.092 0.000 0.946 541 T HN 0.201 nan 8.240 nan 0.000 0.453 542 Y N 2.477 122.800 120.300 0.038 0.000 2.341 542 Y HA 0.559 5.112 4.550 0.004 0.000 0.337 542 Y C 0.854 176.772 175.900 0.030 0.000 1.014 542 Y CA -1.133 56.993 58.100 0.044 0.000 1.111 542 Y CB 1.296 39.775 38.460 0.032 0.000 1.194 542 Y HN 0.324 nan 8.280 nan 0.000 0.462 543 R N 2.242 122.847 120.500 0.176 0.000 2.451 543 R HA 0.531 4.874 4.340 0.004 0.000 0.307 543 R C 0.484 176.843 176.300 0.099 0.000 0.965 543 R CA -0.242 55.920 56.100 0.103 0.000 0.865 543 R CB 1.685 32.028 30.300 0.071 0.000 1.174 543 R HN 0.925 nan 8.270 nan 0.000 0.455 544 G N 1.882 110.717 108.800 0.059 0.000 2.591 544 G HA2 -0.364 3.598 3.960 0.004 0.000 0.298 544 G HA3 -0.364 3.598 3.960 0.004 0.000 0.298 544 G C -0.400 174.537 174.900 0.062 0.000 1.195 544 G CA -0.245 44.880 45.100 0.043 0.000 0.989 544 G HN 0.943 nan 8.290 nan 0.000 0.551 545 C N -2.361 116.985 119.300 0.076 0.000 0.168 545 C HA 0.383 4.845 4.460 0.004 0.000 0.017 545 C C 0.655 175.666 174.990 0.034 0.000 0.171 545 C CA 0.562 59.627 59.018 0.078 0.000 0.499 545 C CB -1.220 26.568 27.740 0.079 0.000 3.212 545 C HN 2.326 nan 8.230 nan 0.000 1.118 546 S N -0.174 115.527 115.700 0.002 0.000 2.971 546 S HA 0.893 5.365 4.470 0.004 0.000 0.320 546 S C 0.514 174.896 174.600 -0.363 0.000 1.111 546 S CA 1.151 59.301 58.200 -0.083 0.000 0.870 546 S CB 1.249 64.478 63.200 0.048 0.000 1.331 546 S HN 3.016 nan 8.310 nan 0.000 0.635 547 G N 0.015 108.416 108.800 -0.666 0.000 2.552 547 G HA2 -0.132 3.830 3.960 0.004 0.000 0.265 547 G HA3 -0.132 3.830 3.960 0.004 0.000 0.265 547 G C -0.202 174.483 174.900 -0.357 0.000 1.234 547 G CA 0.237 44.805 45.100 -0.887 0.000 0.944 547 G HN 1.919 nan 8.290 nan 0.000 0.568 548 V N -2.996 116.755 119.914 -0.271 0.000 2.925 548 V HA 0.883 5.005 4.120 0.004 0.000 0.311 548 V C -2.449 173.561 176.094 -0.140 0.000 1.104 548 V CA -1.273 60.938 62.300 -0.148 0.000 0.954 548 V CB 2.338 34.104 31.823 -0.095 0.000 1.022 548 V HN 1.001 nan 8.190 nan 0.000 0.427 549 P HA 0.297 nan 4.420 nan 0.000 0.276 549 P C -0.211 177.055 177.300 -0.057 0.000 1.252 549 P CA -0.092 62.966 63.100 -0.069 0.000 0.802 549 P CB 0.910 32.586 31.700 -0.040 0.000 1.035 550 S N 0.102 115.804 115.700 0.003 0.000 2.510 550 S HA 0.145 4.617 4.470 0.004 0.000 0.279 550 S C 1.308 176.022 174.600 0.190 0.000 1.284 550 S CA -0.482 57.776 58.200 0.096 0.000 1.059 550 S CB -0.065 63.222 63.200 0.146 0.000 0.901 550 S HN 0.440 nan 8.310 nan 0.000 0.491 551 V N 0.074 120.053 119.914 0.107 0.000 3.604 551 V HA 0.443 4.566 4.120 0.004 0.000 0.277 551 V C 0.353 176.517 176.094 0.117 0.000 1.399 551 V CA -0.083 62.202 62.300 -0.026 0.000 1.034 551 V CB -0.506 30.993 31.823 -0.541 0.000 0.824 551 V HN 0.815 nan 8.190 nan 0.000 0.439 552 N N -0.621 118.131 118.700 0.088 0.000 2.554 552 N HA 0.541 5.284 4.740 0.004 0.000 0.271 552 N C -0.711 174.569 175.510 -0.384 0.000 1.081 552 N CA 0.441 53.413 53.050 -0.131 0.000 0.994 552 N CB 1.959 40.435 38.487 -0.019 0.000 1.641 552 N HN 0.502 nan 8.380 nan 0.000 0.511 553 G N 1.912 110.146 108.800 -0.943 0.000 2.506 553 G HA2 0.428 4.390 3.960 0.004 0.000 0.292 553 G HA3 0.428 4.390 3.960 0.004 0.000 0.292 553 G C -1.774 172.704 174.900 -0.702 0.000 1.425 553 G CA -0.603 44.054 45.100 -0.738 0.000 0.788 553 G HN 0.429 nan 8.290 nan 0.000 0.490 554 I N 0.603 121.008 120.570 -0.275 0.000 2.404 554 I HA 0.636 4.809 4.170 0.004 0.000 0.293 554 I C -0.602 175.518 176.117 0.005 0.000 0.992 554 I CA -0.827 60.397 61.300 -0.125 0.000 1.149 554 I CB 1.960 39.912 38.000 -0.079 0.000 1.315 554 I HN 0.463 nan 8.210 nan 0.000 0.446 555 I N 5.655 126.255 120.570 0.051 0.000 2.656 555 I HA 0.373 4.545 4.170 0.004 0.000 0.292 555 I C -1.073 175.059 176.117 0.025 0.000 1.144 555 I CA -0.566 60.776 61.300 0.071 0.000 1.038 555 I CB 1.910 39.991 38.000 0.135 0.000 1.244 555 I HN 0.455 nan 8.210 nan 0.000 0.420 556 N N 5.928 124.636 118.700 0.012 0.000 2.411 556 N HA 0.243 4.985 4.740 0.004 0.000 0.259 556 N C -0.911 174.599 175.510 -0.001 0.000 1.103 556 N CA -0.105 52.945 53.050 0.000 0.000 0.954 556 N CB 1.615 40.102 38.487 0.000 0.000 1.085 556 N HN 0.288 nan 8.380 nan 0.000 0.485 557 V N 5.848 125.758 119.914 -0.006 0.000 2.408 557 V HA 0.230 4.352 4.120 0.004 0.000 0.267 557 V C -1.910 174.180 176.094 -0.007 0.000 1.047 557 V CA -1.627 60.667 62.300 -0.009 0.000 0.937 557 V CB 1.032 32.847 31.823 -0.013 0.000 0.999 557 V HN 0.488 nan 8.190 nan 0.000 0.472 558 P HA 0.153 nan 4.420 nan 0.000 0.268 558 P C -0.784 176.515 177.300 -0.002 0.000 1.205 558 P CA 0.111 63.208 63.100 -0.004 0.000 0.771 558 P CB 0.620 32.316 31.700 -0.006 0.000 0.858 559 V N 2.772 122.687 119.914 0.002 0.000 2.447 559 V HA 0.528 4.651 4.120 0.004 0.000 0.292 559 V C 0.425 176.522 176.094 0.005 0.000 1.021 559 V CA -0.961 61.342 62.300 0.005 0.000 0.850 559 V CB 1.238 33.068 31.823 0.010 0.000 1.005 559 V HN 0.671 nan 8.190 nan 0.000 0.426 560 A N 4.286 127.108 122.820 0.003 0.000 2.386 560 A HA 0.551 4.873 4.320 0.004 0.000 0.246 560 A C 0.371 177.958 177.584 0.004 0.000 1.089 560 A CA -0.215 51.824 52.037 0.003 0.000 0.790 560 A CB 0.337 19.337 19.000 0.001 0.000 1.042 560 A HN 0.781 nan 8.150 nan 0.000 0.497 561 V N 1.259 121.176 119.914 0.004 0.000 2.584 561 V HA 0.297 4.420 4.120 0.004 0.000 0.303 561 V C 1.724 177.821 176.094 0.005 0.000 1.035 561 V CA 1.900 64.203 62.300 0.005 0.000 1.172 561 V CB -0.227 31.598 31.823 0.004 0.000 0.896 561 V HN 1.973 nan 8.190 nan 0.000 0.486 562 G N 3.745 112.549 108.800 0.006 0.000 2.175 562 G HA2 -0.182 3.780 3.960 0.004 0.000 0.265 562 G HA3 -0.182 3.780 3.960 0.004 0.000 0.265 562 G C 0.410 175.313 174.900 0.006 0.000 0.979 562 G CA 0.379 45.482 45.100 0.005 0.000 0.663 562 G HN 1.552 nan 8.290 nan 0.000 0.533 563 A N -0.373 122.450 122.820 0.006 0.000 2.302 563 A HA 0.779 5.101 4.320 0.004 0.000 0.285 563 A C 1.353 178.942 177.584 0.008 0.000 1.105 563 A CA 1.015 53.056 52.037 0.006 0.000 0.816 563 A CB 0.657 19.659 19.000 0.004 0.000 1.067 563 A HN 1.354 nan 8.150 nan 0.000 0.489 564 T N -1.910 112.648 114.554 0.008 0.000 3.092 564 T HA 0.418 4.771 4.350 0.004 0.000 0.258 564 T C 0.314 175.020 174.700 0.011 0.000 1.031 564 T CA 0.461 62.567 62.100 0.010 0.000 0.925 564 T CB -0.817 68.056 68.868 0.009 0.000 1.036 564 T HN 1.405 nan 8.240 nan 0.000 0.544 565 S N -1.046 114.659 115.700 0.008 0.000 2.596 565 S HA 0.852 5.325 4.470 0.004 0.000 0.270 565 S C -0.546 174.056 174.600 0.003 0.000 1.155 565 S CA -0.514 57.690 58.200 0.006 0.000 0.827 565 S CB 1.659 64.861 63.200 0.003 0.000 1.130 565 S HN 0.780 nan 8.310 nan 0.000 0.467 566 G N -0.336 108.464 108.800 -0.000 0.000 2.660 566 G HA2 0.715 4.678 3.960 0.004 0.000 0.290 566 G HA3 0.715 4.678 3.960 0.004 0.000 0.290 566 G C -1.505 173.388 174.900 -0.011 0.000 1.432 566 G CA -0.417 44.680 45.100 -0.005 0.000 0.807 566 G HN 1.114 nan 8.290 nan 0.000 0.485 567 S N -1.651 114.039 115.700 -0.017 0.000 2.556 567 S HA 0.904 5.376 4.470 0.004 0.000 0.271 567 S C -0.904 173.675 174.600 -0.035 0.000 1.135 567 S CA 0.262 58.446 58.200 -0.027 0.000 0.858 567 S CB 1.648 64.831 63.200 -0.028 0.000 1.114 567 S HN 2.144 nan 8.310 nan 0.000 0.468 568 A N 1.553 124.343 122.820 -0.051 0.000 2.547 568 A HA 0.850 5.172 4.320 0.004 0.000 0.297 568 A C -0.580 176.943 177.584 -0.102 0.000 1.056 568 A CA -0.215 51.784 52.037 -0.064 0.000 0.688 568 A CB 1.118 20.087 19.000 -0.051 0.000 1.282 568 A HN 1.443 nan 8.150 nan 0.000 0.400 569 A N 1.580 124.330 122.820 -0.116 0.000 2.354 569 A HA 0.622 4.944 4.320 0.004 0.000 0.269 569 A C 0.106 177.541 177.584 -0.248 0.000 1.109 569 A CA -0.295 51.642 52.037 -0.165 0.000 0.800 569 A CB -0.173 18.747 19.000 -0.133 0.000 1.045 569 A HN 0.791 nan 8.150 nan 0.000 0.489 570 I N 4.198 124.535 120.570 -0.388 0.000 2.598 570 I HA 0.113 4.286 4.170 0.004 0.000 0.284 570 I C -1.619 174.245 176.117 -0.422 0.000 1.140 570 I CA -1.134 59.788 61.300 -0.629 0.000 1.420 570 I CB 0.762 38.181 38.000 -0.968 0.000 1.387 570 I HN 0.496 nan 8.210 nan 0.000 0.553 571 P HA 0.028 nan 4.420 nan 0.000 0.275 571 P C -0.644 176.560 177.300 -0.159 0.000 1.227 571 P CA -0.135 62.861 63.100 -0.173 0.000 0.781 571 P CB 0.423 32.074 31.700 -0.082 0.000 0.906 572 N N -0.666 117.968 118.700 -0.111 0.000 2.688 572 N HA -0.119 4.623 4.740 0.004 0.000 0.258 572 N C -2.037 173.421 175.510 -0.086 0.000 1.016 572 N CA 0.453 53.454 53.050 -0.081 0.000 0.747 572 N CB -1.324 37.128 38.487 -0.059 0.000 0.895 572 N HN 0.442 nan 8.380 nan 0.000 0.543 573 P HA 0.187 nan 4.420 nan 0.000 0.272 573 P C 0.681 177.996 177.300 0.026 0.000 1.223 573 P CA 0.098 63.141 63.100 -0.095 0.000 0.784 573 P CB 0.797 32.390 31.700 -0.180 0.000 0.923 574 G N 1.333 110.227 108.800 0.156 0.000 2.521 574 G HA2 0.224 4.187 3.960 0.004 0.000 0.323 574 G HA3 0.224 4.187 3.960 0.004 0.000 0.323 574 G C -0.198 174.761 174.900 0.100 0.000 1.211 574 G CA -0.709 44.439 45.100 0.080 0.000 0.979 574 G HN 0.436 nan 8.290 nan 0.000 0.490 575 N N 0.725 119.446 118.700 0.036 0.000 2.968 575 N HA 0.269 5.011 4.740 0.004 0.000 0.271 575 N C -0.683 174.831 175.510 0.006 0.000 1.174 575 N CA 0.269 53.339 53.050 0.033 0.000 1.096 575 N CB 0.319 38.818 38.487 0.019 0.000 1.403 575 N HN 0.244 nan 8.380 nan 0.000 0.522 576 L N -0.357 120.860 121.223 -0.010 0.000 2.415 576 L HA 0.396 4.739 4.340 0.004 0.000 0.256 576 L C 0.128 176.914 176.870 -0.141 0.000 1.010 576 L CA -0.865 53.892 54.840 -0.138 0.000 0.826 576 L CB 2.108 43.940 42.059 -0.377 0.000 1.405 576 L HN -0.024 nan 8.230 nan 0.000 0.410 577 T N 0.393 114.864 114.554 -0.139 0.000 2.794 577 T HA 0.444 4.796 4.350 0.004 0.000 0.296 577 T C -0.901 173.684 174.700 -0.193 0.000 0.949 577 T CA 0.106 62.168 62.100 -0.062 0.000 1.101 577 T CB 0.067 68.939 68.868 0.006 0.000 0.905 577 T HN 0.145 nan 8.240 nan 0.000 0.516 578 Y N 2.030 122.342 120.300 0.019 0.000 2.487 578 Y HA 0.660 5.212 4.550 0.004 0.000 0.337 578 Y C 0.854 176.769 175.900 0.024 0.000 1.076 578 Y CA -1.122 56.993 58.100 0.026 0.000 1.115 578 Y CB 1.271 39.734 38.460 0.005 0.000 1.235 578 Y HN 0.292 nan 8.280 nan 0.000 0.468 579 R N 0.870 121.492 120.500 0.203 0.000 2.867 579 R HA 0.811 5.153 4.340 0.004 0.000 0.268 579 R C -1.452 174.929 176.300 0.134 0.000 1.014 579 R CA -1.047 55.123 56.100 0.116 0.000 0.946 579 R CB 2.065 32.390 30.300 0.042 0.000 1.208 579 R HN 0.562 nan 8.270 nan 0.000 0.477 580 V N -1.559 118.402 119.914 0.079 0.000 3.007 580 V HA 0.826 4.949 4.120 0.004 0.000 0.311 580 V C -0.724 175.381 176.094 0.018 0.000 1.120 580 V CA -1.134 61.205 62.300 0.065 0.000 0.980 580 V CB 2.681 34.538 31.823 0.057 0.000 1.033 580 V HN 0.881 nan 8.190 nan 0.000 0.429 581 R N 0.925 121.418 120.500 -0.011 0.000 2.680 581 R HA 0.706 5.049 4.340 0.004 0.000 0.269 581 R C -1.010 175.213 176.300 -0.127 0.000 1.026 581 R CA -0.574 55.496 56.100 -0.049 0.000 0.889 581 R CB 1.696 31.977 30.300 -0.033 0.000 1.241 581 R HN 0.614 nan 8.270 nan 0.000 0.463 582 S N 1.413 116.971 115.700 -0.237 0.000 2.584 582 S HA 0.370 4.842 4.470 0.004 0.000 0.273 582 S C -0.105 174.177 174.600 -0.530 0.000 1.311 582 S CA -0.632 57.262 58.200 -0.510 0.000 1.034 582 S CB 0.548 63.117 63.200 -1.051 0.000 0.939 582 S HN 0.346 nan 8.310 nan 0.000 0.513 583 L N 3.750 124.699 121.223 -0.457 0.000 2.301 583 L HA 0.438 4.781 4.340 0.004 0.000 0.278 583 L C -1.084 175.606 176.870 -0.300 0.000 1.022 583 L CA -0.418 54.253 54.840 -0.280 0.000 0.854 583 L CB 0.210 42.185 42.059 -0.139 0.000 1.226 583 L HN 0.529 nan 8.230 nan 0.000 0.429 584 F N 1.305 121.256 119.950 0.001 0.000 2.443 584 F HA 0.453 4.982 4.527 0.004 0.000 0.353 584 F C 1.166 176.966 175.800 0.001 0.000 1.101 584 F CA 0.160 58.161 58.000 0.002 0.000 1.226 584 F CB 1.203 40.204 39.000 0.002 0.000 1.140 584 F HN 0.441 nan 8.300 nan 0.000 0.557 585 G N 0.981 109.897 108.800 0.194 0.000 2.851 585 G HA2 0.027 3.990 3.960 0.004 0.000 0.208 585 G HA3 0.027 3.990 3.960 0.004 0.000 0.208 585 G C -0.471 174.488 174.900 0.098 0.000 1.894 585 G CA -0.306 44.858 45.100 0.108 0.000 0.732 585 G HN 0.479 nan 8.290 nan 0.000 0.802 586 D N 1.534 121.979 120.400 0.075 0.000 2.533 586 D HA 0.058 4.700 4.640 0.004 0.000 0.236 586 D C -1.137 175.195 176.300 0.054 0.000 1.137 586 D CA -1.019 53.014 54.000 0.054 0.000 0.867 586 D CB 1.776 42.604 40.800 0.046 0.000 1.170 586 D HN -0.168 nan 8.370 nan 0.000 0.474 587 P HA -0.185 nan 4.420 nan 0.000 0.217 587 P C 0.834 178.141 177.300 0.012 0.000 1.151 587 P CA 1.652 64.757 63.100 0.008 0.000 0.849 587 P CB 0.075 31.775 31.700 -0.000 0.000 0.787 588 A N -0.246 122.589 122.820 0.024 0.000 2.121 588 A HA -0.116 4.207 4.320 0.004 0.000 0.218 588 A C 2.225 179.837 177.584 0.046 0.000 1.154 588 A CA 1.782 53.834 52.037 0.026 0.000 0.679 588 A CB -1.276 17.738 19.000 0.023 0.000 0.795 588 A HN 0.361 nan 8.150 nan 0.000 0.458 589 S N -1.265 114.481 115.700 0.077 0.000 2.558 589 S HA 0.028 4.500 4.470 0.004 0.000 0.217 589 S C 1.603 176.335 174.600 0.220 0.000 0.975 589 S CA 0.935 59.219 58.200 0.141 0.000 0.912 589 S CB -0.288 63.011 63.200 0.165 0.000 0.776 589 S HN 0.343 nan 8.310 nan 0.000 0.526 590 S N 1.221 116.967 115.700 0.076 0.000 2.447 590 S HA 0.107 4.579 4.470 0.004 0.000 0.233 590 S C 1.713 176.190 174.600 -0.204 0.000 1.006 590 S CA 0.951 59.055 58.200 -0.161 0.000 0.957 590 S CB -0.481 62.594 63.200 -0.208 0.000 0.773 590 S HN 0.776 nan 8.310 nan 0.000 0.507 591 G N 0.980 109.767 108.800 -0.022 0.000 3.088 591 G HA2 0.101 4.064 3.960 0.004 0.000 0.217 591 G HA3 0.101 4.064 3.960 0.004 0.000 0.217 591 G C -0.385 174.567 174.900 0.087 0.000 1.159 591 G CA -0.371 44.729 45.100 0.000 0.000 0.760 591 G HN 0.274 nan 8.290 nan 0.000 0.550 592 D N 1.270 121.782 120.400 0.186 0.000 2.423 592 D HA 0.274 4.917 4.640 0.004 0.000 0.238 592 D C 0.419 176.829 176.300 0.184 0.000 1.142 592 D CA 0.607 54.712 54.000 0.174 0.000 0.884 592 D CB 1.087 41.991 40.800 0.174 0.000 1.199 592 D HN -0.042 nan 8.370 nan 0.000 0.438 593 K N 0.546 121.009 120.400 0.105 0.000 2.267 593 K HA 0.689 5.012 4.320 0.004 0.000 0.246 593 K C -0.813 175.816 176.600 0.048 0.000 0.954 593 K CA -0.960 55.377 56.287 0.083 0.000 0.824 593 K CB 2.753 35.288 32.500 0.060 0.000 1.167 593 K HN 0.206 nan 8.250 nan 0.000 0.431 594 V N 0.542 120.477 119.914 0.036 0.000 3.007 594 V HA 0.713 4.835 4.120 0.004 0.000 0.311 594 V C -1.242 174.862 176.094 0.015 0.000 1.120 594 V CA -0.258 62.050 62.300 0.014 0.000 0.980 594 V CB 2.190 34.007 31.823 -0.009 0.000 1.033 594 V HN 1.064 nan 8.190 nan 0.000 0.429 595 S N 3.679 119.385 115.700 0.010 0.000 2.643 595 S HA 0.812 5.284 4.470 0.004 0.000 0.270 595 S C -1.483 173.121 174.600 0.006 0.000 1.166 595 S CA -0.436 57.771 58.200 0.012 0.000 0.815 595 S CB 1.578 64.785 63.200 0.012 0.000 1.139 595 S HN 1.670 nan 8.310 nan 0.000 0.472 596 V N 0.662 120.583 119.914 0.011 0.000 2.686 596 V HA 0.797 4.920 4.120 0.004 0.000 0.306 596 V C -1.348 174.749 176.094 0.005 0.000 1.065 596 V CA -0.192 62.108 62.300 0.001 0.000 0.894 596 V CB 2.121 33.953 31.823 0.015 0.000 1.004 596 V HN 1.069 nan 8.190 nan 0.000 0.424 597 S N 5.211 120.904 115.700 -0.012 0.000 2.667 597 S HA 0.732 5.205 4.470 0.004 0.000 0.304 597 S C 0.595 175.186 174.600 -0.015 0.000 1.135 597 S CA 0.282 58.478 58.200 -0.006 0.000 1.125 597 S CB 0.878 64.072 63.200 -0.010 0.000 0.996 597 S HN 1.931 nan 8.310 nan 0.000 0.474 598 G N 2.384 111.188 108.800 0.006 0.000 2.687 598 G HA2 -0.317 3.645 3.960 0.004 0.000 0.303 598 G HA3 -0.317 3.645 3.960 0.004 0.000 0.303 598 G C 0.629 175.520 174.900 -0.015 0.000 1.209 598 G CA 0.622 45.727 45.100 0.009 0.000 0.968 598 G HN 1.599 nan 8.290 nan 0.000 0.549 599 V N -2.034 117.827 119.914 -0.088 0.000 3.070 599 V HA 0.645 4.767 4.120 0.004 0.000 0.345 599 V C 0.388 176.343 176.094 -0.232 0.000 1.403 599 V CA 0.831 62.996 62.300 -0.226 0.000 1.155 599 V CB 0.485 32.169 31.823 -0.233 0.000 1.140 599 V HN 0.814 nan 8.190 nan 0.000 0.505 600 T N 2.773 117.239 114.554 -0.147 0.000 2.770 600 T HA 0.663 5.015 4.350 0.004 0.000 0.283 600 T C -0.140 174.499 174.700 -0.101 0.000 0.988 600 T CA -0.075 61.950 62.100 -0.124 0.000 0.957 600 T CB 1.783 70.603 68.868 -0.080 0.000 0.930 600 T HN 0.267 nan 8.240 nan 0.000 0.443 601 I N 3.988 124.493 120.570 -0.107 0.000 2.371 601 I HA 0.298 4.470 4.170 0.004 0.000 0.290 601 I C 0.154 176.245 176.117 -0.043 0.000 1.028 601 I CA -0.517 60.743 61.300 -0.067 0.000 1.345 601 I CB 0.721 38.684 38.000 -0.061 0.000 1.407 601 I HN 0.575 nan 8.210 nan 0.000 0.501 602 N N 4.687 123.372 118.700 -0.025 0.000 2.284 602 N HA 0.589 5.332 4.740 0.004 0.000 0.300 602 N C -1.269 174.237 175.510 -0.006 0.000 1.047 602 N CA -0.543 52.497 53.050 -0.016 0.000 0.821 602 N CB 2.615 41.094 38.487 -0.012 0.000 1.337 602 N HN 0.180 nan 8.380 nan 0.000 0.482 603 V N 0.767 120.679 119.914 -0.003 0.000 2.715 603 V HA 0.667 4.790 4.120 0.004 0.000 0.310 603 V C -0.099 176.003 176.094 0.012 0.000 1.054 603 V CA -0.643 61.661 62.300 0.006 0.000 0.928 603 V CB 1.866 33.692 31.823 0.004 0.000 1.007 603 V HN 0.863 nan 8.190 nan 0.000 0.437 604 T N 1.466 116.033 114.554 0.022 0.000 2.893 604 T HA 0.744 5.096 4.350 0.004 0.000 0.291 604 T C -0.680 174.040 174.700 0.033 0.000 1.028 604 T CA -0.890 61.223 62.100 0.023 0.000 0.995 604 T CB 2.044 70.924 68.868 0.021 0.000 1.051 604 T HN 0.679 nan 8.240 nan 0.000 0.470 605 R N 2.632 123.149 120.500 0.028 0.000 2.521 605 R HA 0.391 4.733 4.340 0.004 0.000 0.295 605 R C -2.400 173.914 176.300 0.023 0.000 1.183 605 R CA -1.921 54.199 56.100 0.032 0.000 0.957 605 R CB 1.282 31.600 30.300 0.031 0.000 1.171 605 R HN 0.389 nan 8.270 nan 0.000 0.494 606 P HA -0.068 nan 4.420 nan 0.000 0.218 606 P C -0.473 176.833 177.300 0.011 0.000 1.148 606 P CA 1.047 64.155 63.100 0.015 0.000 0.822 606 P CB 0.415 32.122 31.700 0.012 0.000 0.784 607 S N 0.471 116.178 115.700 0.013 0.000 2.622 607 S HA 0.324 4.796 4.470 0.004 0.000 0.283 607 S C -2.429 172.179 174.600 0.012 0.000 1.197 607 S CA -1.111 57.095 58.200 0.010 0.000 1.146 607 S CB 0.870 64.073 63.200 0.006 0.000 1.007 607 S HN 0.068 nan 8.310 nan 0.000 0.478 608 P HA 0.345 nan 4.420 nan 0.000 0.274 608 P C -0.336 176.970 177.300 0.010 0.000 1.237 608 P CA -0.381 62.725 63.100 0.011 0.000 0.793 608 P CB 0.811 32.517 31.700 0.009 0.000 0.977 609 V N -2.539 117.382 119.914 0.011 0.000 3.046 609 V HA 0.780 4.903 4.120 0.004 0.000 0.316 609 V C 1.031 177.130 176.094 0.008 0.000 1.104 609 V CA -0.427 61.879 62.300 0.010 0.000 1.006 609 V CB 1.241 33.072 31.823 0.012 0.000 1.058 609 V HN 0.603 nan 8.190 nan 0.000 0.440 610 G N 0.260 109.064 108.800 0.007 0.000 3.181 610 G HA2 0.439 4.402 3.960 0.004 0.000 0.219 610 G HA3 0.439 4.402 3.960 0.004 0.000 0.219 610 G C 0.245 175.148 174.900 0.006 0.000 1.182 610 G CA 0.697 45.800 45.100 0.006 0.000 0.791 610 G HN 1.304 nan 8.290 nan 0.000 0.537 611 V N -3.852 116.067 119.914 0.008 0.000 3.158 611 V HA 0.885 5.007 4.120 0.004 0.000 0.315 611 V C -0.051 176.048 176.094 0.008 0.000 1.148 611 V CA -1.394 60.910 62.300 0.008 0.000 1.042 611 V CB 1.527 33.355 31.823 0.008 0.000 1.101 611 V HN 0.172 nan 8.190 nan 0.000 0.448 612 A N 2.198 125.022 122.820 0.007 0.000 2.506 612 A HA 0.685 5.008 4.320 0.004 0.000 0.320 612 A C -0.601 176.989 177.584 0.009 0.000 1.424 612 A CA -0.129 51.912 52.037 0.007 0.000 1.044 612 A CB -0.523 18.480 19.000 0.005 0.000 1.140 612 A HN 1.177 nan 8.150 nan 0.000 0.538 613 L N 5.916 127.147 121.223 0.012 0.000 2.276 613 L HA 0.567 4.909 4.340 0.004 0.000 0.286 613 L C -2.280 174.600 176.870 0.016 0.000 1.024 613 L CA -1.904 52.946 54.840 0.016 0.000 0.826 613 L CB 1.293 43.365 42.059 0.021 0.000 1.211 613 L HN 0.366 nan 8.230 nan 0.000 0.422 614 P HA 0.150 nan 4.420 nan 0.000 0.275 614 P C -1.095 176.211 177.300 0.010 0.000 1.266 614 P CA -0.464 62.641 63.100 0.008 0.000 0.793 614 P CB 0.922 32.624 31.700 0.004 0.000 1.074 615 S N 0.360 116.061 115.700 0.001 0.000 2.566 615 S HA 0.474 4.947 4.470 0.004 0.000 0.324 615 S C -0.278 174.299 174.600 -0.039 0.000 1.081 615 S CA -0.745 57.449 58.200 -0.010 0.000 1.105 615 S CB -0.452 62.746 63.200 -0.003 0.000 0.981 615 S HN 0.410 nan 8.310 nan 0.000 0.464 616 M N 6.720 126.282 119.600 -0.064 0.000 2.185 616 M HA 0.541 5.024 4.480 0.004 0.000 0.357 616 M C -0.801 175.428 176.300 -0.119 0.000 1.260 616 M CA -0.320 54.936 55.300 -0.072 0.000 1.124 616 M CB 0.572 33.133 32.600 -0.066 0.000 1.600 616 M HN 0.514 nan 8.290 nan 0.000 0.467 617 V N 2.074 121.944 119.914 -0.074 0.000 2.925 617 V HA 0.620 4.743 4.120 0.004 0.000 0.311 617 V C -1.116 174.950 176.094 -0.046 0.000 1.104 617 V CA -0.884 61.370 62.300 -0.075 0.000 0.954 617 V CB 1.860 33.664 31.823 -0.031 0.000 1.022 617 V HN 0.932 nan 8.190 nan 0.000 0.427 618 E N 3.144 123.299 120.200 -0.073 0.000 2.156 618 E HA 0.504 4.857 4.350 0.004 0.000 0.279 618 E C -1.446 175.133 176.600 -0.036 0.000 0.965 618 E CA -0.715 55.615 56.400 -0.117 0.000 0.789 618 E CB 1.382 31.010 29.700 -0.119 0.000 1.098 618 E HN 0.863 nan 8.360 nan 0.000 0.397 619 Y N 2.681 122.980 120.300 -0.002 0.000 2.419 619 Y HA 0.701 5.253 4.550 0.004 0.000 0.328 619 Y C -1.172 174.786 175.900 0.096 0.000 1.162 619 Y CA -1.476 56.647 58.100 0.039 0.000 1.174 619 Y CB 0.975 39.435 38.460 -0.001 0.000 1.228 619 Y HN 0.380 nan 8.280 nan 0.000 0.473 620 L N 2.562 123.990 121.223 0.341 0.000 2.543 620 L HA 0.837 5.179 4.340 0.004 0.000 0.265 620 L C -0.912 176.082 176.870 0.207 0.000 0.945 620 L CA -0.888 54.085 54.840 0.223 0.000 0.869 620 L CB 1.584 43.702 42.059 0.099 0.000 1.294 620 L HN 1.037 nan 8.230 nan 0.000 0.405 621 A N 5.217 128.054 122.820 0.028 0.000 2.332 621 A HA 0.751 5.074 4.320 0.004 0.000 0.258 621 A C -0.034 177.583 177.584 0.055 0.000 1.087 621 A CA -0.084 51.761 52.037 -0.321 0.000 0.802 621 A CB 0.192 18.787 19.000 -0.675 0.000 1.042 621 A HN 0.959 nan 8.150 nan 0.000 0.489 622 I N 0.000 120.589 120.570 0.032 0.000 2.984 622 I HA 0.000 4.172 4.170 0.004 0.000 0.288 622 I CA 0.000 61.386 61.300 0.143 0.000 1.566 622 I CB 0.000 38.027 38.000 0.046 0.000 1.214 622 I HN 0.000 nan 8.210 nan 0.000 0.494