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 2nsu_1_A DATA FIRST_RESID 122 DATA SEQUENCE LYWDDLKRKL SEKLDSTDFT STIKLLNENS YVPREAGSQK DENLALYVEN DATA SEQUENCE EFREFKLSKV WRDQHFVKIQ VKDSAQNSVI IVDKNGRLVY LVENPGGYVA DATA SEQUENCE YSKAATVTGK LVHANFGTKK DFEDLYTPVN GSIVIVRAGK ITFAEKVANA DATA SEQUENCE ESLNAIGVLI YMDQTKFPIV NAELSFFGHA HLGTGDPYTP GFPSFNHTQF DATA SEQUENCE PPSRSSGLPN IPVQTISRAA AEKLFGNMEG DcPSDWKTDS TcRMVTSESK DATA SEQUENCE NVKLTVSNVL KEIKILNIFG VIKGFVEPDH YVVVGAQRDA WGPGAAKSGV DATA SEQUENCE GTALLLKLAQ MFSDMVLKDG FQPSRSIIFA SWSAGDFGSV GATEWLEGYL DATA SEQUENCE SSLHLKAFTY INLDKAVLGT SNFKVSASPL LYTLIEKTMQ NVKHPVTGQF DATA SEQUENCE LYQDSNWASK VEKLTLDNAA FPFLAYSGIP AVSFCFCEDT DYPYLGTTMD DATA SEQUENCE TYKELIERIP ELNKVARAAA EVAGQFVIKL THDVELNLDY EEYNSQLLSF DATA SEQUENCE VRDLNQYRAD IKEMGLSLQW LYSARGDFFR ATSRLTTDFG NAEKTDRFVM DATA SEQUENCE KKLNDRVMRV EYHFLSPYVS PKESPFRHVF WGSGSHTLPA LLENLKLRKQ DATA SEQUENCE NNGAFNETLF RNQLALATWT IQGAANALSG DVWDIDNEF 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 122 L HA 0.000 nan 4.340 nan 0.000 0.249 122 L C 0.000 176.709 176.870 -0.269 0.000 1.165 122 L CA 0.000 54.747 54.840 -0.155 0.000 0.813 122 L CB 0.000 42.019 42.059 -0.067 0.000 0.961 123 Y N -0.448 119.834 120.300 -0.030 0.000 2.488 123 Y HA 0.188 4.738 4.550 -0.000 0.000 0.325 123 Y C 1.048 176.864 175.900 -0.141 0.000 1.204 123 Y CA 0.043 58.123 58.100 -0.034 0.000 1.229 123 Y CB 1.152 39.633 38.460 0.035 0.000 1.274 123 Y HN 0.738 nan 8.280 nan 0.000 0.493 124 W N 2.003 123.190 121.300 -0.187 0.000 2.290 124 W HA -0.345 4.315 4.660 0.000 0.000 0.323 124 W C 1.125 177.579 176.519 -0.109 0.000 1.260 124 W CA 2.569 59.767 57.345 -0.246 0.000 1.266 124 W CB -0.273 29.136 29.460 -0.085 0.000 1.149 124 W HN 0.916 nan 8.180 nan 0.000 0.482 125 D N 0.560 120.830 120.400 -0.216 0.000 2.133 125 D HA -0.302 4.338 4.640 -0.000 0.000 0.192 125 D C 1.587 177.672 176.300 -0.358 0.000 1.001 125 D CA 2.270 56.067 54.000 -0.338 0.000 0.844 125 D CB -1.239 39.501 40.800 -0.100 0.000 0.944 125 D HN 0.144 nan 8.370 nan 0.000 0.447 126 D N 0.250 120.525 120.400 -0.208 0.000 2.103 126 D HA -0.131 4.509 4.640 -0.000 0.000 0.190 126 D C 2.269 178.383 176.300 -0.310 0.000 0.997 126 D CA 0.794 54.680 54.000 -0.190 0.000 0.833 126 D CB -0.252 40.494 40.800 -0.090 0.000 0.961 126 D HN 0.152 nan 8.370 nan 0.000 0.447 127 L N 1.099 122.089 121.223 -0.389 0.000 2.079 127 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 127 L C 2.371 178.875 176.870 -0.611 0.000 1.081 127 L CA 1.319 55.862 54.840 -0.495 0.000 0.752 127 L CB -1.056 40.707 42.059 -0.494 0.000 0.896 127 L HN 0.101 nan 8.230 nan 0.000 0.433 128 K N 0.071 119.924 120.400 -0.912 0.000 2.002 128 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 128 K C 2.303 178.605 176.600 -0.497 0.000 1.048 128 K CA 1.269 56.994 56.287 -0.936 0.000 0.930 128 K CB 0.051 31.774 32.500 -1.294 0.000 0.714 128 K HN 0.113 nan 8.250 nan 0.000 0.438 129 R N 0.600 120.855 120.500 -0.408 0.000 2.083 129 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 129 R C 2.358 178.520 176.300 -0.230 0.000 1.137 129 R CA 1.826 57.769 56.100 -0.260 0.000 0.951 129 R CB -0.164 30.014 30.300 -0.204 0.000 0.851 129 R HN -0.012 nan 8.270 nan 0.000 0.434 130 K N 0.928 121.179 120.400 -0.249 0.000 1.978 130 K HA -0.178 4.142 4.320 -0.000 0.000 0.214 130 K C 1.876 178.337 176.600 -0.232 0.000 1.049 130 K CA 1.499 57.656 56.287 -0.217 0.000 0.939 130 K CB -0.837 31.528 32.500 -0.225 0.000 0.721 130 K HN 0.081 nan 8.250 nan 0.000 0.441 131 L N 0.709 121.755 121.223 -0.295 0.000 2.211 131 L HA -0.230 4.110 4.340 -0.000 0.000 0.216 131 L C 2.199 178.947 176.870 -0.203 0.000 1.092 131 L CA 2.258 56.927 54.840 -0.285 0.000 0.767 131 L CB -1.048 40.827 42.059 -0.306 0.000 0.894 131 L HN 0.371 nan 8.230 nan 0.000 0.437 132 S N -0.557 115.026 115.700 -0.194 0.000 2.335 132 S HA -0.205 4.265 4.470 -0.000 0.000 0.217 132 S C 1.905 176.424 174.600 -0.136 0.000 1.032 132 S CA 1.040 59.150 58.200 -0.151 0.000 0.985 132 S CB -0.387 62.723 63.200 -0.151 0.000 0.896 132 S HN 0.794 nan 8.310 nan 0.000 0.445 133 E N 0.725 120.843 120.200 -0.136 0.000 2.118 133 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 133 E C 1.842 178.371 176.600 -0.118 0.000 0.992 133 E CA 1.091 57.420 56.400 -0.118 0.000 0.804 133 E CB -0.263 29.373 29.700 -0.107 0.000 0.741 133 E HN 0.332 nan 8.360 nan 0.000 0.458 134 K N 0.489 120.812 120.400 -0.128 0.000 2.097 134 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 134 K C 2.126 178.656 176.600 -0.117 0.000 1.049 134 K CA 0.645 56.860 56.287 -0.120 0.000 0.933 134 K CB -0.262 32.151 32.500 -0.146 0.000 0.717 134 K HN 0.239 nan 8.250 nan 0.000 0.442 135 L N 1.758 122.911 121.223 -0.117 0.000 2.217 135 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 135 L C 1.372 178.130 176.870 -0.188 0.000 1.107 135 L CA 1.554 56.324 54.840 -0.115 0.000 0.783 135 L CB -0.940 41.083 42.059 -0.060 0.000 0.919 135 L HN 0.108 nan 8.230 nan 0.000 0.442 136 D N -0.723 119.586 120.400 -0.153 0.000 2.269 136 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 136 D C 0.834 177.040 176.300 -0.157 0.000 0.963 136 D CA 0.627 54.537 54.000 -0.150 0.000 0.864 136 D CB 0.349 41.078 40.800 -0.118 0.000 0.936 136 D HN 0.091 nan 8.370 nan 0.000 0.505 137 S N -0.157 115.451 115.700 -0.153 0.000 2.256 137 S HA 0.239 4.709 4.470 -0.000 0.000 0.210 137 S C -0.274 174.238 174.600 -0.146 0.000 1.329 137 S CA -0.612 57.509 58.200 -0.132 0.000 1.267 137 S CB 0.707 63.853 63.200 -0.090 0.000 1.086 137 S HN 0.156 nan 8.310 nan 0.000 0.468 138 T N -1.412 112.994 114.554 -0.247 0.000 3.011 138 T HA 0.344 4.694 4.350 -0.000 0.000 0.303 138 T C -1.408 173.052 174.700 -0.400 0.000 0.997 138 T CA -0.755 61.188 62.100 -0.262 0.000 1.007 138 T CB 1.588 70.311 68.868 -0.242 0.000 1.017 138 T HN 0.029 nan 8.240 nan 0.000 0.443 139 D N 2.785 123.093 120.400 -0.153 0.000 2.402 139 D HA 0.236 4.876 4.640 -0.000 0.000 0.235 139 D C 0.288 176.646 176.300 0.096 0.000 1.226 139 D CA -0.570 53.381 54.000 -0.081 0.000 0.918 139 D CB 0.020 40.815 40.800 -0.007 0.000 1.043 139 D HN 0.626 nan 8.370 nan 0.000 0.506 140 F N 0.960 120.928 119.950 0.029 0.000 2.234 140 F HA -0.134 4.393 4.527 0.000 0.000 0.296 140 F C 2.644 178.483 175.800 0.065 0.000 1.089 140 F CA 0.239 58.264 58.000 0.042 0.000 1.343 140 F CB 0.193 39.216 39.000 0.039 0.000 1.040 140 F HN 0.299 nan 8.300 nan 0.000 0.498 141 T N -0.681 114.029 114.554 0.261 0.000 2.759 141 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 141 T C 2.140 176.921 174.700 0.135 0.000 1.042 141 T CA 1.882 64.133 62.100 0.251 0.000 1.140 141 T CB -0.273 68.734 68.868 0.230 0.000 0.864 141 T HN 0.148 nan 8.240 nan 0.000 0.455 142 S N 0.562 116.312 115.700 0.083 0.000 2.348 142 S HA -0.100 4.370 4.470 -0.000 0.000 0.221 142 S C 2.261 176.855 174.600 -0.010 0.000 1.033 142 S CA 1.871 60.075 58.200 0.007 0.000 1.010 142 S CB -0.757 62.463 63.200 0.033 0.000 0.891 142 S HN 0.632 nan 8.310 nan 0.000 0.442 143 T N 2.454 117.051 114.554 0.071 0.000 2.915 143 T HA 0.094 4.444 4.350 -0.000 0.000 0.269 143 T C 1.661 176.385 174.700 0.040 0.000 1.071 143 T CA 0.831 62.977 62.100 0.077 0.000 1.132 143 T CB -0.351 68.593 68.868 0.127 0.000 0.878 143 T HN 0.335 nan 8.240 nan 0.000 0.479 144 I N 0.715 121.320 120.570 0.058 0.000 2.546 144 I HA -0.081 4.089 4.170 -0.000 0.000 0.255 144 I C 2.565 178.659 176.117 -0.038 0.000 1.163 144 I CA 1.023 62.375 61.300 0.087 0.000 1.457 144 I CB -0.266 37.879 38.000 0.241 0.000 1.092 144 I HN 0.172 nan 8.210 nan 0.000 0.434 145 K N 1.718 121.927 120.400 -0.319 0.000 2.044 145 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 145 K C 2.306 178.773 176.600 -0.222 0.000 1.045 145 K CA 0.858 56.771 56.287 -0.624 0.000 0.951 145 K CB -0.111 31.860 32.500 -0.880 0.000 0.738 145 K HN 0.213 nan 8.250 nan 0.000 0.443 146 L N 1.712 122.861 121.223 -0.124 0.000 2.051 146 L HA -0.165 4.175 4.340 -0.000 0.000 0.214 146 L C 1.422 178.326 176.870 0.056 0.000 1.076 146 L CA 1.350 56.174 54.840 -0.026 0.000 0.758 146 L CB -0.156 41.902 42.059 -0.002 0.000 0.890 146 L HN 0.234 nan 8.230 nan 0.000 0.433 147 L N 0.675 121.903 121.223 0.009 0.000 2.873 147 L HA 0.007 4.347 4.340 -0.000 0.000 0.252 147 L C 1.001 177.920 176.870 0.081 0.000 1.266 147 L CA 0.079 54.917 54.840 -0.004 0.000 1.111 147 L CB -0.750 41.281 42.059 -0.047 0.000 1.440 147 L HN 0.394 nan 8.230 nan 0.000 0.427 148 N N -0.755 118.006 118.700 0.102 0.000 2.008 148 N HA 0.048 4.788 4.740 -0.000 0.000 0.228 148 N C 0.158 175.705 175.510 0.062 0.000 1.375 148 N CA -0.026 53.076 53.050 0.087 0.000 0.856 148 N CB 1.115 39.640 38.487 0.063 0.000 1.096 148 N HN 0.385 nan 8.380 nan 0.000 0.489 149 E N 0.965 121.192 120.200 0.045 0.000 2.436 149 E HA -0.025 4.325 4.350 -0.000 0.000 0.262 149 E C 0.387 176.931 176.600 -0.093 0.000 1.063 149 E CA 0.117 56.487 56.400 -0.049 0.000 0.944 149 E CB 0.527 30.159 29.700 -0.112 0.000 0.950 149 E HN 0.088 nan 8.360 nan 0.000 0.444 150 N N 0.606 119.237 118.700 -0.114 0.000 2.588 150 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 150 N C 1.052 176.436 175.510 -0.211 0.000 1.094 150 N CA 0.667 53.644 53.050 -0.121 0.000 0.921 150 N CB 0.095 38.521 38.487 -0.101 0.000 0.959 150 N HN 0.236 nan 8.380 nan 0.000 0.448 151 S N -0.473 114.987 115.700 -0.400 0.000 2.399 151 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 151 S C -0.235 173.966 174.600 -0.666 0.000 1.022 151 S CA 1.078 58.860 58.200 -0.697 0.000 0.983 151 S CB -0.189 62.282 63.200 -1.215 0.000 0.803 151 S HN 0.544 nan 8.310 nan 0.000 0.480 152 Y N -1.307 118.949 120.300 -0.073 0.000 2.580 152 Y HA 0.597 5.147 4.550 -0.000 0.000 0.305 152 Y C 0.214 176.090 175.900 -0.041 0.000 1.069 152 Y CA -1.029 57.039 58.100 -0.054 0.000 1.193 152 Y CB -0.577 37.852 38.460 -0.051 0.000 1.126 152 Y HN -0.076 nan 8.280 nan 0.000 0.610 153 V N 1.098 121.058 119.914 0.077 0.000 2.635 153 V HA 0.384 4.504 4.120 -0.000 0.000 0.233 153 V C -1.935 174.166 176.094 0.011 0.000 1.097 153 V CA -0.356 61.972 62.300 0.048 0.000 1.134 153 V CB 0.346 32.174 31.823 0.008 0.000 0.841 153 V HN 0.259 nan 8.190 nan 0.000 0.496 154 P HA 0.210 nan 4.420 nan 0.000 0.220 154 P C -0.634 176.640 177.300 -0.043 0.000 1.806 154 P CA -0.182 62.869 63.100 -0.082 0.000 0.976 154 P CB -0.830 30.788 31.700 -0.136 0.000 1.952 155 R N 0.065 120.570 120.500 0.009 0.000 4.886 155 R HA 0.117 4.457 4.340 -0.000 0.000 0.181 155 R C 0.285 176.611 176.300 0.043 0.000 1.989 155 R CA -0.218 55.906 56.100 0.039 0.000 1.623 155 R CB -0.471 29.868 30.300 0.065 0.000 1.383 155 R HN 0.308 nan 8.270 nan 0.000 0.847 156 E N 1.331 121.543 120.200 0.020 0.000 2.428 156 E HA 0.080 4.430 4.350 -0.000 0.000 0.257 156 E C -0.334 176.331 176.600 0.109 0.000 1.197 156 E CA 0.056 56.494 56.400 0.063 0.000 0.974 156 E CB 0.571 30.296 29.700 0.041 0.000 0.976 156 E HN 0.603 nan 8.360 nan 0.000 0.463 157 A N 1.038 123.974 122.820 0.194 0.000 2.492 157 A HA 0.377 4.697 4.320 -0.000 0.000 0.254 157 A C 0.962 178.577 177.584 0.053 0.000 1.091 157 A CA 0.600 52.733 52.037 0.160 0.000 0.768 157 A CB -0.422 18.729 19.000 0.251 0.000 1.028 157 A HN 0.887 nan 8.150 nan 0.000 0.498 158 G N 2.073 110.891 108.800 0.029 0.000 2.225 158 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.267 158 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.267 158 G C 0.534 175.438 174.900 0.006 0.000 1.024 158 G CA 1.009 46.108 45.100 -0.002 0.000 0.784 158 G HN 2.061 nan 8.290 nan 0.000 0.507 159 S N -1.899 113.813 115.700 0.020 0.000 2.694 159 S HA 0.644 5.114 4.470 -0.000 0.000 0.278 159 S C 1.232 175.840 174.600 0.014 0.000 1.152 159 S CA 0.524 58.733 58.200 0.014 0.000 1.010 159 S CB 1.657 64.865 63.200 0.014 0.000 1.104 159 S HN 0.394 nan 8.310 nan 0.000 0.547 160 Q N 0.788 120.593 119.800 0.009 0.000 2.049 160 Q HA 0.005 4.345 4.340 -0.000 0.000 0.198 160 Q C 1.728 177.744 176.000 0.027 0.000 0.971 160 Q CA 1.652 57.461 55.803 0.011 0.000 0.833 160 Q CB -0.364 28.373 28.738 -0.002 0.000 0.896 160 Q HN 0.646 nan 8.270 nan 0.000 0.434 161 K N 1.244 121.661 120.400 0.029 0.000 2.032 161 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 161 K C 1.815 178.475 176.600 0.100 0.000 1.048 161 K CA 1.536 57.865 56.287 0.070 0.000 0.927 161 K CB -0.971 31.564 32.500 0.057 0.000 0.712 161 K HN 0.437 nan 8.250 nan 0.000 0.441 162 D N 1.402 121.839 120.400 0.061 0.000 2.205 162 D HA -0.245 4.395 4.640 -0.000 0.000 0.190 162 D C 1.799 178.123 176.300 0.040 0.000 1.002 162 D CA 1.590 55.619 54.000 0.049 0.000 0.848 162 D CB -0.089 40.735 40.800 0.041 0.000 0.975 162 D HN 0.339 nan 8.370 nan 0.000 0.449 163 E N -0.381 119.839 120.200 0.033 0.000 2.219 163 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 163 E C 1.955 178.584 176.600 0.047 0.000 0.998 163 E CA 0.819 57.234 56.400 0.025 0.000 0.818 163 E CB 0.082 29.793 29.700 0.018 0.000 0.741 163 E HN 0.307 nan 8.360 nan 0.000 0.477 164 N N 0.508 119.262 118.700 0.090 0.000 2.062 164 N HA -0.166 4.574 4.740 -0.000 0.000 0.191 164 N C 1.893 177.520 175.510 0.195 0.000 1.042 164 N CA 0.792 53.939 53.050 0.161 0.000 0.845 164 N CB -0.534 38.086 38.487 0.221 0.000 1.024 164 N HN 0.166 nan 8.380 nan 0.000 0.424 165 L N 1.656 122.969 121.223 0.150 0.000 2.079 165 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 165 L C 2.149 178.977 176.870 -0.071 0.000 1.081 165 L CA 1.459 56.230 54.840 -0.116 0.000 0.752 165 L CB -1.089 40.812 42.059 -0.264 0.000 0.896 165 L HN 0.144 nan 8.230 nan 0.000 0.433 166 A N -0.226 122.562 122.820 -0.053 0.000 1.873 166 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 166 A C 2.239 179.759 177.584 -0.106 0.000 1.193 166 A CA 2.271 54.251 52.037 -0.096 0.000 0.629 166 A CB -1.037 17.930 19.000 -0.055 0.000 0.826 166 A HN 0.513 nan 8.150 nan 0.000 0.447 167 L N -2.002 119.203 121.223 -0.030 0.000 2.201 167 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 167 L C 2.593 179.451 176.870 -0.021 0.000 1.105 167 L CA 1.463 56.290 54.840 -0.021 0.000 0.775 167 L CB -0.712 41.361 42.059 0.025 0.000 0.913 167 L HN 0.608 nan 8.230 nan 0.000 0.440 168 Y N 0.951 121.167 120.300 -0.141 0.000 2.133 168 Y HA -0.181 4.369 4.550 -0.000 0.000 0.287 168 Y C 2.398 178.117 175.900 -0.301 0.000 1.134 168 Y CA 1.357 59.352 58.100 -0.177 0.000 1.133 168 Y CB -0.556 37.787 38.460 -0.194 0.000 0.987 168 Y HN -0.161 nan 8.280 nan 0.000 0.502 169 V N 0.991 120.569 119.914 -0.560 0.000 2.287 169 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 169 V C 2.422 177.960 176.094 -0.927 0.000 1.053 169 V CA 2.301 64.066 62.300 -0.892 0.000 1.027 169 V CB -0.864 30.498 31.823 -0.769 0.000 0.646 169 V HN 0.479 nan 8.190 nan 0.000 0.447 170 E N 0.268 120.152 120.200 -0.528 0.000 2.070 170 E HA -0.310 4.040 4.350 -0.000 0.000 0.197 170 E C 2.231 178.704 176.600 -0.211 0.000 1.004 170 E CA 1.775 58.002 56.400 -0.287 0.000 0.805 170 E CB -0.205 29.418 29.700 -0.129 0.000 0.744 170 E HN 0.610 nan 8.360 nan 0.000 0.451 171 N N 0.004 118.564 118.700 -0.234 0.000 2.135 171 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 171 N C 1.717 177.035 175.510 -0.320 0.000 1.027 171 N CA 0.876 53.816 53.050 -0.184 0.000 0.849 171 N CB 0.015 38.437 38.487 -0.109 0.000 1.002 171 N HN 0.175 nan 8.380 nan 0.000 0.425 172 E N 0.578 120.436 120.200 -0.570 0.000 2.070 172 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 172 E C 2.001 178.059 176.600 -0.903 0.000 1.004 172 E CA 0.833 56.690 56.400 -0.906 0.000 0.805 172 E CB -0.614 28.437 29.700 -1.080 0.000 0.744 172 E HN 0.501 nan 8.360 nan 0.000 0.451 173 F N 0.833 120.534 119.950 -0.415 0.000 2.095 173 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 173 F C 2.771 178.533 175.800 -0.064 0.000 1.104 173 F CA 0.788 58.760 58.000 -0.047 0.000 1.232 173 F CB -0.131 38.846 39.000 -0.037 0.000 0.987 173 F HN 0.003 nan 8.300 nan 0.000 0.475 174 R N 0.223 120.773 120.500 0.085 0.000 2.083 174 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 174 R C 2.033 178.328 176.300 -0.007 0.000 1.137 174 R CA 1.729 57.859 56.100 0.051 0.000 0.951 174 R CB -0.586 29.725 30.300 0.019 0.000 0.851 174 R HN 0.359 nan 8.270 nan 0.000 0.434 175 E N 0.183 120.292 120.200 -0.151 0.000 2.110 175 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 175 E C 1.235 177.791 176.600 -0.073 0.000 0.988 175 E CA 0.959 57.257 56.400 -0.171 0.000 0.804 175 E CB 0.017 29.527 29.700 -0.316 0.000 0.745 175 E HN 0.190 nan 8.360 nan 0.000 0.458 176 F N 0.833 120.806 119.950 0.038 0.000 2.583 176 F HA 0.003 4.530 4.527 -0.000 0.000 0.297 176 F C 1.433 177.257 175.800 0.038 0.000 1.131 176 F CA 1.060 59.079 58.000 0.033 0.000 1.467 176 F CB -0.397 38.620 39.000 0.027 0.000 1.097 176 F HN -0.004 nan 8.300 nan 0.000 0.586 177 K N -0.113 120.400 120.400 0.188 0.000 3.209 177 K HA -0.234 4.086 4.320 -0.000 0.000 0.289 177 K C -0.235 176.450 176.600 0.141 0.000 1.191 177 K CA 0.430 56.798 56.287 0.136 0.000 0.851 177 K CB -1.619 30.952 32.500 0.118 0.000 1.242 177 K HN 0.298 nan 8.250 nan 0.000 0.480 178 L N -1.960 119.362 121.223 0.165 0.000 2.476 178 L HA 0.411 4.751 4.340 -0.000 0.000 0.255 178 L C 1.190 178.138 176.870 0.131 0.000 1.218 178 L CA -0.011 54.912 54.840 0.137 0.000 0.819 178 L CB 0.481 42.600 42.059 0.100 0.000 1.119 178 L HN 0.050 nan 8.230 nan 0.000 0.485 179 S N -0.459 115.320 115.700 0.132 0.000 2.629 179 S HA 0.150 4.620 4.470 -0.000 0.000 0.250 179 S C 0.318 175.026 174.600 0.180 0.000 1.318 179 S CA -0.210 58.070 58.200 0.133 0.000 0.970 179 S CB 0.056 63.328 63.200 0.120 0.000 0.996 179 S HN 0.654 nan 8.310 nan 0.000 0.563 180 K N 0.062 120.581 120.400 0.198 0.000 2.604 180 K HA 0.098 4.418 4.320 -0.000 0.000 0.278 180 K C -0.524 176.341 176.600 0.443 0.000 0.975 180 K CA 0.702 57.158 56.287 0.282 0.000 1.066 180 K CB -0.271 32.367 32.500 0.229 0.000 0.840 180 K HN 0.425 nan 8.250 nan 0.000 0.491 181 V N 4.220 124.426 119.914 0.486 0.000 2.752 181 V HA 0.788 4.908 4.120 -0.000 0.000 0.302 181 V C -1.910 174.485 176.094 0.502 0.000 1.133 181 V CA -0.504 62.044 62.300 0.413 0.000 0.919 181 V CB 0.628 32.597 31.823 0.244 0.000 1.026 181 V HN 0.879 nan 8.190 nan 0.000 0.429 182 W N 4.949 126.360 121.300 0.186 0.000 3.335 182 W HA 0.885 5.545 4.660 -0.000 0.000 0.335 182 W C -0.829 175.811 176.519 0.202 0.000 1.164 182 W CA -1.271 56.169 57.345 0.158 0.000 1.010 182 W CB 1.003 30.530 29.460 0.113 0.000 1.524 182 W HN 0.565 nan 8.180 nan 0.000 0.605 183 R N 0.423 121.109 120.500 0.311 0.000 2.832 183 R HA 0.433 4.773 4.340 -0.000 0.000 0.271 183 R C -1.788 174.699 176.300 0.313 0.000 0.996 183 R CA -0.879 55.334 56.100 0.187 0.000 0.977 183 R CB 1.830 32.216 30.300 0.144 0.000 1.168 183 R HN 0.475 nan 8.270 nan 0.000 0.482 184 D N 0.904 121.459 120.400 0.259 0.000 2.473 184 D HA 0.085 4.725 4.640 -0.000 0.000 0.253 184 D C -1.232 175.139 176.300 0.118 0.000 1.233 184 D CA -0.407 53.774 54.000 0.301 0.000 0.908 184 D CB 1.275 42.422 40.800 0.577 0.000 1.170 184 D HN 0.301 nan 8.370 nan 0.000 0.558 185 Q N 2.557 122.339 119.800 -0.030 0.000 2.260 185 Q HA 0.398 4.738 4.340 -0.000 0.000 0.242 185 Q C -0.945 174.843 176.000 -0.353 0.000 0.932 185 Q CA -0.391 55.347 55.803 -0.108 0.000 0.891 185 Q CB 0.746 29.474 28.738 -0.017 0.000 1.222 185 Q HN 0.549 nan 8.270 nan 0.000 0.453 186 H N 2.023 121.075 119.070 -0.029 0.000 3.094 186 H HA 0.264 4.820 4.556 -0.000 0.000 0.346 186 H C -1.621 173.611 175.328 -0.160 0.000 1.238 186 H CA -0.482 55.585 56.048 0.033 0.000 1.209 186 H CB 0.834 30.650 29.762 0.090 0.000 1.911 186 H HN 0.602 nan 8.280 nan 0.000 0.540 187 F N 2.240 122.335 119.950 0.241 0.000 2.443 187 F HA 0.296 4.823 4.527 0.000 0.000 0.369 187 F C 0.405 176.311 175.800 0.175 0.000 1.090 187 F CA -0.755 57.353 58.000 0.180 0.000 1.129 187 F CB 1.206 40.308 39.000 0.170 0.000 1.367 187 F HN 0.203 nan 8.300 nan 0.000 0.465 188 V N -0.312 119.744 119.914 0.237 0.000 2.850 188 V HA 0.596 4.716 4.120 -0.000 0.000 0.315 188 V C -0.322 175.888 176.094 0.193 0.000 1.064 188 V CA -1.176 61.246 62.300 0.205 0.000 0.979 188 V CB 1.902 33.796 31.823 0.119 0.000 1.039 188 V HN 0.479 nan 8.190 nan 0.000 0.452 189 K N 3.032 123.589 120.400 0.262 0.000 2.285 189 K HA 0.520 4.840 4.320 -0.000 0.000 0.286 189 K C -1.082 175.643 176.600 0.208 0.000 1.072 189 K CA -0.346 56.093 56.287 0.254 0.000 0.913 189 K CB 1.240 33.928 32.500 0.313 0.000 1.067 189 K HN 0.550 nan 8.250 nan 0.000 0.479 190 I N 1.967 122.525 120.570 -0.020 0.000 2.793 190 I HA 0.140 4.310 4.170 -0.000 0.000 0.313 190 I C 0.025 176.038 176.117 -0.172 0.000 0.998 190 I CA -0.495 60.621 61.300 -0.306 0.000 1.140 190 I CB 1.777 39.397 38.000 -0.634 0.000 1.327 190 I HN 0.494 nan 8.210 nan 0.000 0.491 191 Q N 4.035 123.715 119.800 -0.201 0.000 2.312 191 Q HA 0.761 5.101 4.340 -0.000 0.000 0.263 191 Q C -1.649 174.507 176.000 0.260 0.000 0.995 191 Q CA -0.680 55.128 55.803 0.009 0.000 0.853 191 Q CB 1.845 30.544 28.738 -0.065 0.000 1.300 191 Q HN 0.559 nan 8.270 nan 0.000 0.448 192 V N -0.002 119.982 119.914 0.116 0.000 3.102 192 V HA 0.561 4.681 4.120 -0.000 0.000 0.312 192 V C -0.738 175.195 176.094 -0.268 0.000 1.135 192 V CA -1.318 60.950 62.300 -0.054 0.000 1.022 192 V CB 1.711 33.518 31.823 -0.028 0.000 1.056 192 V HN 0.829 nan 8.190 nan 0.000 0.436 193 K N 1.611 121.667 120.400 -0.573 0.000 2.412 193 K HA 0.133 4.453 4.320 -0.000 0.000 0.284 193 K C -0.229 176.264 176.600 -0.177 0.000 1.046 193 K CA 0.051 56.092 56.287 -0.410 0.000 0.999 193 K CB 0.243 32.484 32.500 -0.432 0.000 0.941 193 K HN 0.980 nan 8.250 nan 0.000 0.474 194 D N 1.962 122.299 120.400 -0.105 0.000 2.357 194 D HA -0.043 4.597 4.640 -0.000 0.000 0.242 194 D C 1.079 177.349 176.300 -0.050 0.000 1.153 194 D CA 0.219 54.185 54.000 -0.057 0.000 0.918 194 D CB 1.071 41.852 40.800 -0.031 0.000 1.181 194 D HN 0.476 nan 8.370 nan 0.000 0.435 195 S N 1.796 117.474 115.700 -0.036 0.000 2.407 195 S HA -0.186 4.284 4.470 -0.000 0.000 0.235 195 S C 1.102 175.687 174.600 -0.024 0.000 1.036 195 S CA 0.603 58.786 58.200 -0.029 0.000 1.013 195 S CB -0.673 62.513 63.200 -0.023 0.000 0.820 195 S HN 0.643 nan 8.310 nan 0.000 0.476 196 A N 2.316 125.123 122.820 -0.021 0.000 2.440 196 A HA 0.373 4.693 4.320 -0.000 0.000 0.251 196 A C 0.424 177.998 177.584 -0.017 0.000 1.089 196 A CA -0.378 51.650 52.037 -0.016 0.000 0.779 196 A CB 0.163 19.157 19.000 -0.011 0.000 1.022 196 A HN 0.323 nan 8.150 nan 0.000 0.492 197 Q N 1.895 121.687 119.800 -0.014 0.000 2.304 197 Q HA 0.107 4.447 4.340 -0.000 0.000 0.260 197 Q C -0.314 175.681 176.000 -0.008 0.000 0.965 197 Q CA 0.167 55.963 55.803 -0.012 0.000 0.898 197 Q CB 0.601 29.332 28.738 -0.012 0.000 1.196 197 Q HN 0.760 nan 8.270 nan 0.000 0.402 198 N N 1.091 119.791 118.700 -0.001 0.000 2.529 198 N HA 0.271 5.011 4.740 -0.000 0.000 0.278 198 N C -0.464 175.048 175.510 0.003 0.000 1.146 198 N CA 0.065 53.120 53.050 0.008 0.000 0.980 198 N CB 1.169 39.671 38.487 0.024 0.000 1.124 198 N HN 0.564 nan 8.380 nan 0.000 0.458 199 S N -1.142 114.557 115.700 -0.001 0.000 2.565 199 S HA 0.508 4.978 4.470 -0.000 0.000 0.269 199 S C -0.860 173.733 174.600 -0.012 0.000 1.153 199 S CA -0.970 57.222 58.200 -0.013 0.000 0.835 199 S CB 1.060 64.240 63.200 -0.033 0.000 1.122 199 S HN 0.275 nan 8.310 nan 0.000 0.462 200 V N -0.147 119.755 119.914 -0.020 0.000 2.448 200 V HA 0.933 5.053 4.120 -0.000 0.000 0.295 200 V C -0.761 175.314 176.094 -0.032 0.000 1.025 200 V CA -0.664 61.626 62.300 -0.016 0.000 0.859 200 V CB 0.829 32.645 31.823 -0.011 0.000 0.988 200 V HN 1.073 nan 8.190 nan 0.000 0.431 201 I N 4.989 125.544 120.570 -0.025 0.000 2.571 201 I HA 0.590 4.760 4.170 -0.000 0.000 0.289 201 I C -0.526 175.584 176.117 -0.011 0.000 1.115 201 I CA -0.852 60.428 61.300 -0.032 0.000 1.045 201 I CB 1.776 39.749 38.000 -0.044 0.000 1.238 201 I HN 0.715 nan 8.210 nan 0.000 0.424 202 I N 7.759 128.328 120.570 -0.003 0.000 2.556 202 I HA 0.481 4.651 4.170 -0.000 0.000 0.284 202 I C -0.118 176.005 176.117 0.011 0.000 1.114 202 I CA -0.280 61.025 61.300 0.010 0.000 1.418 202 I CB 0.936 38.947 38.000 0.019 0.000 1.394 202 I HN 0.538 nan 8.210 nan 0.000 0.552 203 V N 5.466 125.388 119.914 0.014 0.000 3.167 203 V HA 0.389 4.509 4.120 -0.000 0.000 0.293 203 V C -1.146 174.958 176.094 0.018 0.000 1.379 203 V CA -0.665 61.643 62.300 0.014 0.000 1.019 203 V CB 2.223 34.051 31.823 0.008 0.000 1.115 203 V HN 0.733 nan 8.190 nan 0.000 0.442 204 D N 1.777 122.188 120.400 0.017 0.000 2.430 204 D HA 0.363 5.003 4.640 -0.000 0.000 0.285 204 D C 0.728 177.038 176.300 0.017 0.000 1.210 204 D CA -0.263 53.748 54.000 0.019 0.000 1.080 204 D CB 0.910 41.721 40.800 0.018 0.000 1.134 204 D HN 0.709 nan 8.370 nan 0.000 0.562 205 K N 0.600 121.010 120.400 0.017 0.000 2.668 205 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 205 K C 0.114 176.723 176.600 0.014 0.000 1.016 205 K CA 0.226 56.523 56.287 0.016 0.000 1.131 205 K CB -0.529 31.981 32.500 0.016 0.000 0.891 205 K HN 0.312 nan 8.250 nan 0.000 0.499 206 N N -2.426 116.282 118.700 0.013 0.000 3.197 206 N HA -0.115 4.625 4.740 -0.000 0.000 0.319 206 N C -0.514 175.002 175.510 0.010 0.000 1.276 206 N CA -0.293 52.764 53.050 0.011 0.000 0.799 206 N CB -0.541 37.952 38.487 0.010 0.000 1.793 206 N HN -0.031 nan 8.380 nan 0.000 0.349 207 G N 1.306 110.111 108.800 0.009 0.000 2.318 207 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 207 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 207 G C 0.306 175.211 174.900 0.009 0.000 0.329 207 G CA 0.933 46.038 45.100 0.009 0.000 1.034 207 G HN 0.932 nan 8.290 nan 0.000 0.438 208 R N 2.118 122.621 120.500 0.005 0.000 3.097 208 R HA 0.377 4.718 4.340 -0.000 0.000 0.212 208 R C 0.900 177.204 176.300 0.006 0.000 1.651 208 R CA -0.488 55.614 56.100 0.003 0.000 1.134 208 R CB 0.072 30.369 30.300 -0.006 0.000 1.241 208 R HN 0.412 nan 8.270 nan 0.000 0.640 209 L N 2.500 123.731 121.223 0.013 0.000 2.341 209 L HA 0.125 4.465 4.340 -0.000 0.000 0.185 209 L C 0.777 177.663 176.870 0.027 0.000 1.091 209 L CA 0.526 55.379 54.840 0.021 0.000 0.899 209 L CB 0.240 42.313 42.059 0.024 0.000 1.357 209 L HN 0.495 nan 8.230 nan 0.000 0.535 210 V N -1.165 118.775 119.914 0.045 0.000 3.868 210 V HA -0.340 3.780 4.120 -0.000 0.000 0.549 210 V C -0.427 175.727 176.094 0.099 0.000 0.697 210 V CA 1.067 63.412 62.300 0.076 0.000 2.118 210 V CB -0.598 31.268 31.823 0.071 0.000 2.500 210 V HN 1.112 nan 8.190 nan 0.000 0.523 211 Y N 3.472 123.772 120.300 -0.001 0.000 2.299 211 Y HA 0.530 5.080 4.550 0.000 0.000 0.335 211 Y C 0.146 176.045 175.900 -0.002 0.000 1.287 211 Y CA -0.368 57.732 58.100 -0.000 0.000 1.424 211 Y CB 0.687 39.146 38.460 -0.001 0.000 1.326 211 Y HN 0.807 nan 8.280 nan 0.000 0.567 212 L N 6.163 126.834 121.223 -0.920 0.000 2.574 212 L HA 0.051 4.391 4.340 -0.000 0.000 0.281 212 L C 0.708 177.104 176.870 -0.790 0.000 1.212 212 L CA 0.409 54.814 54.840 -0.725 0.000 1.082 212 L CB -1.013 40.670 42.059 -0.626 0.000 1.362 212 L HN 0.878 nan 8.230 nan 0.000 0.451 213 V N 2.365 122.144 119.914 -0.224 0.000 2.251 213 V HA -0.300 3.820 4.120 -0.000 0.000 0.259 213 V C 1.027 177.154 176.094 0.055 0.000 1.078 213 V CA 2.234 64.564 62.300 0.049 0.000 1.072 213 V CB -0.808 31.025 31.823 0.016 0.000 0.681 213 V HN 0.921 nan 8.190 nan 0.000 0.454 214 E N -1.630 118.541 120.200 -0.048 0.000 2.472 214 E HA 0.178 4.528 4.350 -0.000 0.000 0.290 214 E C -1.443 175.142 176.600 -0.026 0.000 1.059 214 E CA -0.536 55.859 56.400 -0.008 0.000 0.861 214 E CB 0.799 30.525 29.700 0.044 0.000 1.213 214 E HN 0.270 nan 8.360 nan 0.000 0.425 215 N N 4.616 123.308 118.700 -0.013 0.000 2.949 215 N HA 0.273 5.013 4.740 -0.000 0.000 0.243 215 N C -2.619 172.908 175.510 0.028 0.000 1.113 215 N CA -1.309 51.739 53.050 -0.004 0.000 0.980 215 N CB 1.007 39.488 38.487 -0.010 0.000 1.256 215 N HN 0.267 nan 8.380 nan 0.000 0.508 216 P HA -0.106 nan 4.420 nan 0.000 0.262 216 P C 1.131 178.483 177.300 0.086 0.000 1.151 216 P CA 0.425 63.555 63.100 0.050 0.000 0.757 216 P CB 0.695 32.410 31.700 0.026 0.000 0.754 217 G N 2.597 111.472 108.800 0.126 0.000 2.494 217 G HA2 0.146 4.106 3.960 -0.000 0.000 0.216 217 G HA3 0.146 4.106 3.960 -0.000 0.000 0.216 217 G C 0.740 175.835 174.900 0.326 0.000 1.140 217 G CA 0.690 45.906 45.100 0.193 0.000 0.801 217 G HN 0.692 nan 8.290 nan 0.000 0.536 218 G N -1.236 107.723 108.800 0.265 0.000 2.938 218 G HA2 0.651 4.611 3.960 -0.000 0.000 0.258 218 G HA3 0.651 4.611 3.960 -0.000 0.000 0.258 218 G C -1.066 173.960 174.900 0.209 0.000 1.356 218 G CA -0.783 44.469 45.100 0.254 0.000 1.052 218 G HN 0.579 nan 8.290 nan 0.000 0.550 219 Y N -3.531 116.647 120.300 -0.202 0.000 2.713 219 Y HA 0.621 5.171 4.550 -0.000 0.000 0.335 219 Y C -1.371 174.359 175.900 -0.284 0.000 1.222 219 Y CA -1.552 56.451 58.100 -0.161 0.000 1.061 219 Y CB 1.366 39.812 38.460 -0.023 0.000 1.314 219 Y HN 0.404 nan 8.280 nan 0.000 0.453 220 V N 2.981 122.674 119.914 -0.367 0.000 2.318 220 V HA 0.660 4.780 4.120 -0.000 0.000 0.271 220 V C 0.705 176.572 176.094 -0.377 0.000 1.030 220 V CA -0.274 61.701 62.300 -0.541 0.000 0.844 220 V CB 0.230 31.895 31.823 -0.265 0.000 1.015 220 V HN 1.006 nan 8.190 nan 0.000 0.460 221 A N 3.766 126.221 122.820 -0.609 0.000 2.504 221 A HA 0.321 4.641 4.320 -0.000 0.000 0.242 221 A C 0.608 178.192 177.584 -0.000 0.000 1.100 221 A CA 0.297 52.182 52.037 -0.253 0.000 0.786 221 A CB -0.548 18.254 19.000 -0.330 0.000 1.050 221 A HN 1.082 nan 8.150 nan 0.000 0.512 222 Y N -0.885 119.501 120.300 0.142 0.000 4.317 222 Y HA -0.238 4.312 4.550 -0.000 0.000 0.212 222 Y C 1.290 177.249 175.900 0.098 0.000 1.080 222 Y CA 0.964 59.135 58.100 0.118 0.000 1.735 222 Y CB -1.899 36.608 38.460 0.079 0.000 1.567 222 Y HN 0.686 nan 8.280 nan 0.000 0.619 223 S N 0.770 116.576 115.700 0.177 0.000 2.576 223 S HA 0.289 4.759 4.470 -0.000 0.000 0.276 223 S C 0.276 174.957 174.600 0.134 0.000 1.339 223 S CA -0.785 57.497 58.200 0.136 0.000 1.039 223 S CB 0.782 64.040 63.200 0.096 0.000 0.902 223 S HN 0.272 nan 8.310 nan 0.000 0.516 224 K N 3.177 123.646 120.400 0.114 0.000 2.472 224 K HA 0.253 4.573 4.320 -0.000 0.000 0.280 224 K C -0.222 176.430 176.600 0.086 0.000 1.028 224 K CA 0.487 56.834 56.287 0.100 0.000 1.045 224 K CB 0.008 32.558 32.500 0.083 0.000 0.902 224 K HN 0.588 nan 8.250 nan 0.000 0.478 225 A N 3.882 126.752 122.820 0.082 0.000 2.539 225 A HA 0.574 4.894 4.320 -0.000 0.000 0.306 225 A C -0.258 177.357 177.584 0.052 0.000 1.392 225 A CA 0.353 52.429 52.037 0.066 0.000 1.060 225 A CB -0.723 18.314 19.000 0.062 0.000 1.134 225 A HN 0.951 nan 8.150 nan 0.000 0.542 226 A N 1.544 124.393 122.820 0.047 0.000 2.483 226 A HA 0.882 5.202 4.320 -0.000 0.000 0.306 226 A C -0.415 177.190 177.584 0.034 0.000 1.137 226 A CA 0.124 52.184 52.037 0.039 0.000 0.626 226 A CB 0.708 19.733 19.000 0.041 0.000 1.352 226 A HN 1.485 nan 8.150 nan 0.000 0.508 227 T N -0.201 114.371 114.554 0.029 0.000 3.237 227 T HA 0.625 4.975 4.350 -0.000 0.000 0.319 227 T C -1.325 173.390 174.700 0.025 0.000 1.037 227 T CA 0.262 62.378 62.100 0.025 0.000 1.048 227 T CB 0.496 69.375 68.868 0.019 0.000 1.081 227 T HN 2.202 nan 8.240 nan 0.000 0.455 228 V N 1.458 121.387 119.914 0.026 0.000 3.188 228 V HA 0.997 5.117 4.120 -0.000 0.000 0.305 228 V C -0.523 175.587 176.094 0.026 0.000 1.232 228 V CA -0.741 61.575 62.300 0.026 0.000 1.043 228 V CB 1.573 33.415 31.823 0.031 0.000 1.068 228 V HN 0.934 nan 8.190 nan 0.000 0.439 229 T N 0.002 114.572 114.554 0.025 0.000 2.903 229 T HA 0.954 5.304 4.350 -0.000 0.000 0.299 229 T C -0.205 174.513 174.700 0.029 0.000 1.093 229 T CA 0.494 62.610 62.100 0.026 0.000 1.002 229 T CB 1.389 70.269 68.868 0.020 0.000 1.127 229 T HN 2.421 nan 8.240 nan 0.000 0.488 230 G N 2.123 110.943 108.800 0.033 0.000 2.336 230 G HA2 0.314 4.274 3.960 -0.000 0.000 0.286 230 G HA3 0.314 4.274 3.960 -0.000 0.000 0.286 230 G C -1.499 173.427 174.900 0.043 0.000 1.269 230 G CA -0.918 44.204 45.100 0.036 0.000 0.873 230 G HN 0.829 nan 8.290 nan 0.000 0.494 231 K N -0.741 119.687 120.400 0.047 0.000 2.344 231 K HA 0.352 4.672 4.320 -0.000 0.000 0.260 231 K C -0.841 175.801 176.600 0.070 0.000 0.988 231 K CA -0.049 56.272 56.287 0.057 0.000 0.909 231 K CB 0.965 33.498 32.500 0.056 0.000 0.968 231 K HN 0.362 nan 8.250 nan 0.000 0.505 232 L N 2.260 123.535 121.223 0.087 0.000 2.454 232 L HA 0.212 4.552 4.340 -0.000 0.000 0.258 232 L C -1.020 175.944 176.870 0.157 0.000 1.025 232 L CA -0.553 54.354 54.840 0.111 0.000 0.901 232 L CB 1.314 43.431 42.059 0.097 0.000 1.210 232 L HN 0.321 nan 8.230 nan 0.000 0.457 233 V N 2.712 122.724 119.914 0.164 0.000 2.953 233 V HA 0.264 4.384 4.120 -0.000 0.000 0.304 233 V C -0.379 175.896 176.094 0.303 0.000 1.073 233 V CA -0.536 61.887 62.300 0.205 0.000 1.064 233 V CB 1.268 33.185 31.823 0.156 0.000 1.047 233 V HN 0.782 nan 8.190 nan 0.000 0.478 234 H N 2.254 121.457 119.070 0.221 0.000 2.645 234 H HA 0.623 5.179 4.556 -0.000 0.000 0.257 234 H C -0.074 175.403 175.328 0.250 0.000 1.269 234 H CA -0.421 55.791 56.048 0.273 0.000 1.409 234 H CB 0.434 30.411 29.762 0.360 0.000 1.434 234 H HN 0.773 nan 8.280 nan 0.000 0.505 235 A N 4.641 127.466 122.820 0.008 0.000 2.666 235 A HA 0.177 4.497 4.320 -0.000 0.000 0.312 235 A C 0.453 177.860 177.584 -0.294 0.000 1.471 235 A CA -0.513 51.483 52.037 -0.069 0.000 1.134 235 A CB -0.973 18.056 19.000 0.050 0.000 1.129 235 A HN 0.921 nan 8.150 nan 0.000 0.539 236 N N 2.111 120.391 118.700 -0.701 0.000 2.098 236 N HA -0.162 4.578 4.740 -0.000 0.000 0.268 236 N C -0.166 175.175 175.510 -0.282 0.000 1.238 236 N CA 0.865 53.338 53.050 -0.963 0.000 0.822 236 N CB -0.622 36.465 38.487 -2.334 0.000 1.063 236 N HN 0.603 nan 8.380 nan 0.000 0.471 237 F N 0.939 120.757 119.950 -0.221 0.000 2.284 237 F HA -0.243 4.284 4.527 -0.000 0.000 0.197 237 F C 1.686 177.428 175.800 -0.096 0.000 1.023 237 F CA 0.029 57.983 58.000 -0.077 0.000 0.858 237 F CB -1.331 37.728 39.000 0.099 0.000 0.933 237 F HN 0.875 nan 8.300 nan 0.000 0.803 238 G N 3.174 112.003 108.800 0.050 0.000 2.379 238 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.281 238 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.281 238 G C 0.931 175.804 174.900 -0.045 0.000 0.855 238 G CA 1.353 46.428 45.100 -0.043 0.000 1.105 238 G HN 1.973 nan 8.290 nan 0.000 0.482 239 T N -3.075 111.491 114.554 0.020 0.000 10.479 239 T HA -0.497 3.853 4.350 -0.000 0.000 0.411 239 T C 1.539 176.157 174.700 -0.138 0.000 1.504 239 T CA 2.594 64.710 62.100 0.027 0.000 2.475 239 T CB -1.669 67.204 68.868 0.008 0.000 2.895 239 T HN 2.089 nan 8.240 nan 0.000 1.096 240 K N 1.554 121.785 120.400 -0.281 0.000 3.445 240 K HA -0.438 3.882 4.320 -0.000 0.000 0.316 240 K C 0.984 177.383 176.600 -0.334 0.000 1.278 240 K CA 2.841 58.831 56.287 -0.495 0.000 0.976 240 K CB -1.268 30.491 32.500 -1.235 0.000 1.238 240 K HN 0.998 nan 8.250 nan 0.000 0.430 241 K N -1.517 118.772 120.400 -0.184 0.000 3.443 241 K HA -0.342 3.978 4.320 -0.000 0.000 0.323 241 K C 0.794 177.348 176.600 -0.075 0.000 0.757 241 K CA 2.281 58.507 56.287 -0.101 0.000 1.417 241 K CB -1.540 30.898 32.500 -0.105 0.000 1.338 241 K HN 0.422 nan 8.250 nan 0.000 0.459 242 D N -0.304 120.003 120.400 -0.155 0.000 2.106 242 D HA 0.016 4.656 4.640 -0.000 0.000 0.203 242 D C 1.685 178.063 176.300 0.129 0.000 0.977 242 D CA 1.703 55.667 54.000 -0.059 0.000 0.844 242 D CB -0.413 40.287 40.800 -0.166 0.000 1.002 242 D HN 0.463 nan 8.370 nan 0.000 0.461 243 F N 0.709 120.641 119.950 -0.030 0.000 2.346 243 F HA -0.129 4.398 4.527 -0.000 0.000 0.301 243 F C 2.182 177.994 175.800 0.021 0.000 1.070 243 F CA 0.297 58.273 58.000 -0.040 0.000 1.407 243 F CB -0.016 38.859 39.000 -0.208 0.000 1.072 243 F HN 0.036 nan 8.300 nan 0.000 0.543 244 E N 0.118 120.429 120.200 0.185 0.000 2.333 244 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 244 E C 0.363 177.043 176.600 0.133 0.000 1.007 244 E CA 0.788 57.266 56.400 0.129 0.000 0.845 244 E CB -0.460 29.283 29.700 0.073 0.000 0.766 244 E HN 0.398 nan 8.360 nan 0.000 0.507 245 D N 1.249 121.741 120.400 0.152 0.000 2.801 245 D HA 0.095 4.735 4.640 -0.000 0.000 0.232 245 D C 0.341 176.743 176.300 0.170 0.000 1.128 245 D CA 0.068 54.150 54.000 0.137 0.000 1.003 245 D CB -0.380 40.496 40.800 0.126 0.000 1.110 245 D HN 0.084 nan 8.370 nan 0.000 0.477 246 L N -2.312 119.015 121.223 0.172 0.000 2.256 246 L HA 0.443 4.783 4.340 -0.000 0.000 0.261 246 L C 1.151 178.124 176.870 0.171 0.000 1.022 246 L CA -0.864 54.096 54.840 0.201 0.000 0.828 246 L CB 0.820 43.037 42.059 0.262 0.000 1.374 246 L HN -0.174 nan 8.230 nan 0.000 0.436 247 Y N 0.837 121.170 120.300 0.055 0.000 2.034 247 Y HA -0.066 4.484 4.550 0.000 0.000 0.269 247 Y C 1.048 176.975 175.900 0.046 0.000 1.125 247 Y CA 1.974 60.094 58.100 0.035 0.000 1.097 247 Y CB -0.402 38.062 38.460 0.007 0.000 0.978 247 Y HN 0.700 nan 8.280 nan 0.000 0.480 248 T N 4.898 119.444 114.554 -0.013 0.000 2.871 248 T HA 0.098 4.448 4.350 -0.000 0.000 0.296 248 T C -2.323 172.344 174.700 -0.056 0.000 0.998 248 T CA -0.831 61.214 62.100 -0.092 0.000 1.162 248 T CB 0.436 69.357 68.868 0.088 0.000 0.947 248 T HN 0.258 nan 8.240 nan 0.000 0.536 249 P HA 0.226 nan 4.420 nan 0.000 0.282 249 P C 0.571 177.875 177.300 0.007 0.000 1.249 249 P CA -0.542 62.533 63.100 -0.040 0.000 0.806 249 P CB 1.131 32.791 31.700 -0.066 0.000 0.984 250 V N -1.758 118.172 119.914 0.026 0.000 3.483 250 V HA 0.203 4.323 4.120 -0.000 0.000 0.301 250 V C 0.837 176.952 176.094 0.034 0.000 1.389 250 V CA -0.284 62.042 62.300 0.043 0.000 1.101 250 V CB -1.388 30.469 31.823 0.057 0.000 0.971 250 V HN 0.395 nan 8.190 nan 0.000 0.434 251 N N 3.536 122.249 118.700 0.021 0.000 2.349 251 N HA 0.220 4.960 4.740 -0.000 0.000 0.296 251 N C 1.038 176.561 175.510 0.023 0.000 1.304 251 N CA 1.378 54.439 53.050 0.019 0.000 1.051 251 N CB -0.804 37.688 38.487 0.009 0.000 1.466 251 N HN 0.976 nan 8.380 nan 0.000 0.487 252 G N 2.020 110.837 108.800 0.029 0.000 2.545 252 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.279 252 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.279 252 G C -0.676 174.245 174.900 0.036 0.000 1.131 252 G CA 0.091 45.209 45.100 0.031 0.000 1.100 252 G HN 1.220 nan 8.290 nan 0.000 0.525 253 S N -0.922 114.804 115.700 0.043 0.000 2.558 253 S HA 0.661 5.131 4.470 -0.000 0.000 0.277 253 S C -0.168 174.469 174.600 0.061 0.000 1.143 253 S CA -0.969 57.262 58.200 0.051 0.000 0.865 253 S CB 1.374 64.607 63.200 0.054 0.000 1.102 253 S HN 0.922 nan 8.310 nan 0.000 0.454 254 I N 1.644 122.252 120.570 0.064 0.000 2.892 254 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 254 I C -0.308 175.866 176.117 0.095 0.000 1.205 254 I CA -0.283 61.060 61.300 0.073 0.000 1.409 254 I CB 0.575 38.615 38.000 0.066 0.000 1.367 254 I HN 0.491 nan 8.210 nan 0.000 0.597 255 V N 6.187 126.165 119.914 0.106 0.000 2.876 255 V HA 0.488 4.608 4.120 -0.000 0.000 0.312 255 V C -0.163 176.034 176.094 0.173 0.000 1.085 255 V CA -0.616 61.767 62.300 0.140 0.000 0.945 255 V CB 2.215 34.108 31.823 0.117 0.000 1.017 255 V HN 0.431 nan 8.190 nan 0.000 0.428 256 I N 3.824 124.553 120.570 0.265 0.000 2.562 256 I HA 0.806 4.976 4.170 -0.000 0.000 0.301 256 I C -0.574 175.773 176.117 0.383 0.000 1.003 256 I CA -0.914 60.603 61.300 0.362 0.000 1.127 256 I CB 1.993 40.297 38.000 0.507 0.000 1.304 256 I HN 0.547 nan 8.210 nan 0.000 0.446 257 V N 2.150 122.218 119.914 0.256 0.000 3.178 257 V HA 0.609 4.729 4.120 -0.000 0.000 0.302 257 V C -0.853 175.169 176.094 -0.121 0.000 1.262 257 V CA -1.147 61.200 62.300 0.080 0.000 1.030 257 V CB 2.039 33.869 31.823 0.012 0.000 1.074 257 V HN 0.728 nan 8.190 nan 0.000 0.438 258 R N 1.769 122.184 120.500 -0.142 0.000 2.500 258 R HA 0.806 5.146 4.340 -0.000 0.000 0.277 258 R C 0.115 176.414 176.300 -0.001 0.000 1.026 258 R CA 0.027 55.998 56.100 -0.215 0.000 1.058 258 R CB 1.564 31.828 30.300 -0.060 0.000 1.078 258 R HN 1.147 nan 8.270 nan 0.000 0.509 259 A N 1.509 124.286 122.820 -0.071 0.000 2.350 259 A HA 0.542 4.862 4.320 -0.000 0.000 0.293 259 A C 0.365 177.990 177.584 0.069 0.000 1.231 259 A CA 0.446 52.379 52.037 -0.174 0.000 0.883 259 A CB 0.126 18.920 19.000 -0.344 0.000 1.133 259 A HN 0.890 nan 8.150 nan 0.000 0.533 260 G N 1.426 110.070 108.800 -0.259 0.000 3.218 260 G HA2 0.169 4.129 3.960 -0.000 0.000 0.143 260 G HA3 0.169 4.129 3.960 -0.000 0.000 0.143 260 G C 0.718 175.215 174.900 -0.670 0.000 1.220 260 G CA 0.029 44.760 45.100 -0.615 0.000 1.382 260 G HN 0.465 nan 8.290 nan 0.000 0.682 261 K N 0.109 119.891 120.400 -1.030 0.000 2.163 261 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 261 K C 1.398 177.762 176.600 -0.394 0.000 1.048 261 K CA 2.010 57.935 56.287 -0.603 0.000 0.928 261 K CB -0.571 31.599 32.500 -0.550 0.000 0.716 261 K HN 0.561 nan 8.250 nan 0.000 0.459 262 I N -3.030 117.317 120.570 -0.372 0.000 3.522 262 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 262 I C 0.007 175.986 176.117 -0.231 0.000 1.147 262 I CA -1.226 59.910 61.300 -0.274 0.000 1.032 262 I CB 1.707 39.555 38.000 -0.254 0.000 1.337 262 I HN -0.186 nan 8.210 nan 0.000 0.496 263 T N -1.919 112.530 114.554 -0.174 0.000 2.902 263 T HA 0.436 4.786 4.350 -0.000 0.000 0.283 263 T C 0.586 175.265 174.700 -0.035 0.000 1.009 263 T CA -0.453 61.601 62.100 -0.078 0.000 1.051 263 T CB 1.094 69.903 68.868 -0.099 0.000 0.999 263 T HN 0.461 nan 8.240 nan 0.000 0.474 264 F N 1.604 121.482 119.950 -0.121 0.000 2.063 264 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 264 F C 2.979 178.727 175.800 -0.088 0.000 1.105 264 F CA 2.017 59.963 58.000 -0.090 0.000 1.215 264 F CB -1.427 37.514 39.000 -0.098 0.000 0.972 264 F HN 0.816 nan 8.300 nan 0.000 0.483 265 A N -0.047 122.834 122.820 0.102 0.000 1.881 265 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 265 A C 2.165 179.739 177.584 -0.017 0.000 1.215 265 A CA 2.413 54.453 52.037 0.004 0.000 0.648 265 A CB -1.075 17.851 19.000 -0.124 0.000 0.832 265 A HN 0.527 nan 8.150 nan 0.000 0.455 266 E N -0.440 119.724 120.200 -0.061 0.000 2.047 266 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 266 E C 2.151 178.713 176.600 -0.063 0.000 0.987 266 E CA 1.299 57.653 56.400 -0.077 0.000 0.799 266 E CB -0.202 29.424 29.700 -0.123 0.000 0.752 266 E HN 0.614 nan 8.360 nan 0.000 0.449 267 K N 0.618 120.974 120.400 -0.073 0.000 2.034 267 K HA -0.190 4.130 4.320 -0.000 0.000 0.214 267 K C 2.288 178.878 176.600 -0.016 0.000 1.051 267 K CA 1.762 58.008 56.287 -0.068 0.000 0.931 267 K CB -0.417 32.017 32.500 -0.109 0.000 0.715 267 K HN 0.007 nan 8.250 nan 0.000 0.446 268 V N 1.497 121.421 119.914 0.017 0.000 2.261 268 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 268 V C 2.483 178.596 176.094 0.031 0.000 1.047 268 V CA 2.025 64.349 62.300 0.041 0.000 1.015 268 V CB -1.003 30.862 31.823 0.070 0.000 0.642 268 V HN 0.408 nan 8.190 nan 0.000 0.446 269 A N 1.026 123.859 122.820 0.021 0.000 1.896 269 A HA -0.329 3.991 4.320 -0.000 0.000 0.220 269 A C 2.090 179.681 177.584 0.012 0.000 1.206 269 A CA 2.552 54.599 52.037 0.016 0.000 0.647 269 A CB -0.878 18.123 19.000 0.001 0.000 0.828 269 A HN 0.653 nan 8.150 nan 0.000 0.455 270 N N 0.293 118.991 118.700 -0.003 0.000 2.084 270 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 270 N C 2.003 177.522 175.510 0.015 0.000 1.030 270 N CA 1.638 54.687 53.050 -0.002 0.000 0.849 270 N CB -0.808 37.666 38.487 -0.022 0.000 1.012 270 N HN 0.503 nan 8.380 nan 0.000 0.423 271 A N 1.422 124.255 122.820 0.021 0.000 1.884 271 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 271 A C 2.160 179.766 177.584 0.037 0.000 1.197 271 A CA 2.043 54.101 52.037 0.035 0.000 0.637 271 A CB -0.801 18.225 19.000 0.043 0.000 0.827 271 A HN 0.498 nan 8.150 nan 0.000 0.450 272 E N 0.048 120.270 120.200 0.037 0.000 2.208 272 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 272 E C 2.035 178.655 176.600 0.033 0.000 0.988 272 E CA 1.166 57.589 56.400 0.038 0.000 0.828 272 E CB -0.110 29.615 29.700 0.042 0.000 0.763 272 E HN 0.765 nan 8.360 nan 0.000 0.478 273 S N 0.112 115.829 115.700 0.028 0.000 2.447 273 S HA -0.060 4.410 4.470 -0.000 0.000 0.233 273 S C 1.539 176.154 174.600 0.026 0.000 1.006 273 S CA 0.404 58.620 58.200 0.025 0.000 0.957 273 S CB 0.073 63.285 63.200 0.020 0.000 0.773 273 S HN 0.226 nan 8.310 nan 0.000 0.507 274 L N 1.756 122.996 121.223 0.028 0.000 2.653 274 L HA 0.372 4.712 4.340 -0.000 0.000 0.231 274 L C 0.350 177.238 176.870 0.030 0.000 1.153 274 L CA 0.323 55.181 54.840 0.029 0.000 0.933 274 L CB -2.090 39.989 42.059 0.033 0.000 1.175 274 L HN 0.437 nan 8.230 nan 0.000 0.473 275 N N -0.684 118.034 118.700 0.031 0.000 2.776 275 N HA -0.174 4.566 4.740 -0.000 0.000 0.250 275 N C 0.601 176.132 175.510 0.034 0.000 1.112 275 N CA 0.416 53.484 53.050 0.031 0.000 0.733 275 N CB -0.454 38.049 38.487 0.027 0.000 1.097 275 N HN 0.455 nan 8.380 nan 0.000 0.558 276 A N 0.258 123.101 122.820 0.039 0.000 2.250 276 A HA 0.777 5.097 4.320 -0.000 0.000 0.283 276 A C 0.194 177.805 177.584 0.045 0.000 1.206 276 A CA 0.101 52.165 52.037 0.045 0.000 0.840 276 A CB 0.391 19.423 19.000 0.052 0.000 1.220 276 A HN 0.296 nan 8.150 nan 0.000 0.505 277 I N -3.328 117.271 120.570 0.049 0.000 2.692 277 I HA 0.667 4.837 4.170 -0.000 0.000 0.293 277 I C 0.190 176.340 176.117 0.054 0.000 1.200 277 I CA 0.045 61.375 61.300 0.049 0.000 1.036 277 I CB 0.998 39.025 38.000 0.043 0.000 1.258 277 I HN 1.683 nan 8.210 nan 0.000 0.421 278 G N 2.755 111.588 108.800 0.055 0.000 2.892 278 G HA2 0.236 4.196 3.960 -0.000 0.000 0.686 278 G HA3 0.236 4.196 3.960 -0.000 0.000 0.686 278 G C -1.035 173.905 174.900 0.067 0.000 1.244 278 G CA -0.371 44.764 45.100 0.059 0.000 0.947 278 G HN 1.072 nan 8.290 nan 0.000 0.584 279 V N 3.736 123.692 119.914 0.071 0.000 2.733 279 V HA 0.630 4.750 4.120 -0.000 0.000 0.306 279 V C -0.165 175.981 176.094 0.086 0.000 1.084 279 V CA -1.165 61.184 62.300 0.082 0.000 0.905 279 V CB 1.887 33.756 31.823 0.077 0.000 1.010 279 V HN 0.822 nan 8.190 nan 0.000 0.424 280 L N 5.175 126.462 121.223 0.106 0.000 2.329 280 L HA 0.664 5.004 4.340 -0.000 0.000 0.279 280 L C -0.702 176.255 176.870 0.145 0.000 1.014 280 L CA -0.463 54.445 54.840 0.114 0.000 0.814 280 L CB 1.643 43.772 42.059 0.116 0.000 1.257 280 L HN 0.494 nan 8.230 nan 0.000 0.424 281 I N 4.224 124.878 120.570 0.141 0.000 2.418 281 I HA 0.409 4.579 4.170 -0.000 0.000 0.287 281 I C -0.433 175.900 176.117 0.360 0.000 1.008 281 I CA -0.479 60.912 61.300 0.152 0.000 1.104 281 I CB 1.516 39.590 38.000 0.123 0.000 1.264 281 I HN 0.455 nan 8.210 nan 0.000 0.438 282 Y N 4.438 124.917 120.300 0.299 0.000 2.570 282 Y HA 0.805 5.355 4.550 -0.000 0.000 0.345 282 Y C -1.018 174.947 175.900 0.109 0.000 1.014 282 Y CA -1.803 56.492 58.100 0.326 0.000 1.063 282 Y CB 1.455 40.021 38.460 0.176 0.000 1.272 282 Y HN 0.341 nan 8.280 nan 0.000 0.477 283 M N 4.256 123.924 119.600 0.113 0.000 2.289 283 M HA 0.205 4.685 4.480 -0.000 0.000 0.354 283 M C -0.934 175.558 176.300 0.319 0.000 1.210 283 M CA -0.568 54.550 55.300 -0.303 0.000 1.174 283 M CB -0.032 31.978 32.600 -0.983 0.000 1.297 283 M HN 0.848 nan 8.290 nan 0.000 0.423 284 D N 0.778 121.504 120.400 0.543 0.000 2.346 284 D HA -0.113 4.527 4.640 -0.000 0.000 0.236 284 D C 0.819 177.365 176.300 0.410 0.000 1.259 284 D CA 0.028 54.382 54.000 0.590 0.000 0.898 284 D CB 0.911 42.041 40.800 0.549 0.000 1.178 284 D HN 0.611 nan 8.370 nan 0.000 0.457 285 Q N -0.735 119.238 119.800 0.288 0.000 2.083 285 Q HA -0.158 4.182 4.340 -0.000 0.000 0.198 285 Q C 1.966 178.059 176.000 0.156 0.000 0.969 285 Q CA 1.872 57.796 55.803 0.203 0.000 0.838 285 Q CB -0.229 28.596 28.738 0.144 0.000 0.900 285 Q HN 0.798 nan 8.270 nan 0.000 0.436 286 T N -0.629 114.005 114.554 0.132 0.000 2.674 286 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 286 T C 1.889 176.607 174.700 0.030 0.000 1.039 286 T CA 1.016 63.158 62.100 0.071 0.000 1.150 286 T CB -0.216 68.686 68.868 0.057 0.000 0.864 286 T HN 0.018 nan 8.240 nan 0.000 0.427 287 K N 0.689 121.118 120.400 0.048 0.000 2.103 287 K HA 0.135 4.455 4.320 -0.000 0.000 0.204 287 K C -0.071 176.246 176.600 -0.473 0.000 1.052 287 K CA 0.659 56.854 56.287 -0.152 0.000 0.945 287 K CB -0.241 32.258 32.500 -0.002 0.000 0.722 287 K HN 0.516 nan 8.250 nan 0.000 0.443 288 F N 1.193 121.174 119.950 0.051 0.000 2.451 288 F HA 0.292 4.819 4.527 -0.000 0.000 0.367 288 F C -2.128 173.695 175.800 0.039 0.000 1.100 288 F CA -2.424 55.589 58.000 0.021 0.000 1.171 288 F CB 1.484 40.488 39.000 0.008 0.000 1.405 288 F HN -0.179 nan 8.300 nan 0.000 0.482 289 P HA 0.062 nan 4.420 nan 0.000 0.246 289 P C -0.268 177.102 177.300 0.117 0.000 1.675 289 P CA 0.593 63.742 63.100 0.082 0.000 0.908 289 P CB -0.345 31.363 31.700 0.013 0.000 1.890 290 I N -0.451 120.229 120.570 0.184 0.000 2.342 290 I HA 0.061 4.231 4.170 -0.000 0.000 0.291 290 I C 1.860 178.069 176.117 0.153 0.000 1.010 290 I CA -0.436 60.999 61.300 0.224 0.000 1.308 290 I CB 1.730 39.891 38.000 0.269 0.000 1.400 290 I HN -0.072 nan 8.210 nan 0.000 0.488 291 V N 5.980 125.971 119.914 0.129 0.000 2.287 291 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 291 V C 1.198 177.338 176.094 0.076 0.000 1.053 291 V CA 1.973 64.325 62.300 0.087 0.000 1.027 291 V CB -0.302 31.562 31.823 0.068 0.000 0.646 291 V HN 0.948 nan 8.190 nan 0.000 0.447 292 N N 0.103 118.846 118.700 0.071 0.000 2.470 292 N HA 0.333 5.073 4.740 -0.000 0.000 0.268 292 N C 0.171 175.731 175.510 0.084 0.000 1.136 292 N CA 0.761 53.848 53.050 0.062 0.000 0.961 292 N CB 1.332 39.843 38.487 0.040 0.000 1.067 292 N HN 0.376 nan 8.380 nan 0.000 0.468 293 A N 3.490 126.357 122.820 0.077 0.000 2.390 293 A HA 0.168 4.488 4.320 -0.000 0.000 0.232 293 A C 0.812 178.449 177.584 0.087 0.000 1.233 293 A CA -0.061 52.028 52.037 0.087 0.000 0.907 293 A CB 0.077 19.120 19.000 0.071 0.000 0.967 293 A HN 0.685 nan 8.150 nan 0.000 0.512 294 E N -0.312 119.937 120.200 0.082 0.000 2.451 294 E HA 0.127 4.477 4.350 -0.000 0.000 0.194 294 E C -0.660 176.007 176.600 0.112 0.000 1.027 294 E CA -0.140 56.312 56.400 0.086 0.000 0.914 294 E CB 0.293 30.034 29.700 0.067 0.000 1.054 294 E HN 0.442 nan 8.360 nan 0.000 0.461 295 L N 1.745 123.049 121.223 0.134 0.000 2.312 295 L HA 0.193 4.533 4.340 -0.000 0.000 0.281 295 L C -0.077 176.950 176.870 0.262 0.000 1.070 295 L CA -0.302 54.643 54.840 0.175 0.000 0.805 295 L CB 1.236 43.387 42.059 0.154 0.000 1.174 295 L HN -0.138 nan 8.230 nan 0.000 0.434 296 S N 3.872 119.755 115.700 0.306 0.000 2.532 296 S HA 0.830 5.300 4.470 -0.000 0.000 0.301 296 S C -0.581 174.304 174.600 0.474 0.000 1.083 296 S CA -0.720 57.695 58.200 0.358 0.000 1.025 296 S CB 1.407 64.750 63.200 0.237 0.000 1.056 296 S HN 0.482 nan 8.310 nan 0.000 0.494 297 F N -0.358 119.646 119.950 0.090 0.000 2.598 297 F HA 0.846 5.373 4.527 -0.000 0.000 0.327 297 F C -0.871 174.718 175.800 -0.353 0.000 1.057 297 F CA -2.401 55.592 58.000 -0.011 0.000 0.957 297 F CB 0.420 39.433 39.000 0.022 0.000 1.278 297 F HN 0.564 nan 8.300 nan 0.000 0.484 298 F N 1.204 120.718 119.950 -0.726 0.000 2.394 298 F HA 0.805 5.332 4.527 -0.000 0.000 0.340 298 F C 0.066 175.328 175.800 -0.897 0.000 1.105 298 F CA -0.937 56.324 58.000 -1.231 0.000 1.124 298 F CB 1.141 39.112 39.000 -1.715 0.000 1.145 298 F HN 0.811 nan 8.300 nan 0.000 0.505 299 G N 3.441 111.100 108.800 -1.903 0.000 2.644 299 G HA2 0.279 4.239 3.960 -0.000 0.000 0.307 299 G HA3 0.279 4.239 3.960 -0.000 0.000 0.307 299 G C -0.766 173.017 174.900 -1.863 0.000 1.250 299 G CA -0.249 43.711 45.100 -1.901 0.000 0.996 299 G HN 0.759 nan 8.290 nan 0.000 0.489 300 H N -0.476 117.839 119.070 -1.259 0.000 2.570 300 H HA 0.389 4.945 4.556 -0.000 0.000 0.268 300 H C 1.882 177.061 175.328 -0.248 0.000 1.175 300 H CA 1.774 57.425 56.048 -0.662 0.000 1.686 300 H CB 0.638 30.143 29.762 -0.428 0.000 1.456 300 H HN 1.151 nan 8.280 nan 0.000 0.592 301 A N 0.214 123.145 122.820 0.185 0.000 3.526 301 A HA -0.224 4.096 4.320 -0.000 0.000 0.254 301 A C 0.567 178.308 177.584 0.262 0.000 1.109 301 A CA 1.161 53.315 52.037 0.195 0.000 1.395 301 A CB -2.983 16.104 19.000 0.144 0.000 1.057 301 A HN 0.773 nan 8.150 nan 0.000 0.901 302 H N -0.236 118.980 119.070 0.244 0.000 2.652 302 H HA 0.470 5.026 4.556 -0.000 0.000 0.298 302 H C 0.188 175.439 175.328 -0.128 0.000 1.076 302 H CA -0.494 55.559 56.048 0.008 0.000 1.360 302 H CB 0.560 30.309 29.762 -0.021 0.000 1.421 302 H HN 0.449 nan 8.280 nan 0.000 0.464 303 L N 6.681 127.855 121.223 -0.081 0.000 2.650 303 L HA 0.240 4.580 4.340 -0.000 0.000 0.239 303 L C 0.220 176.871 176.870 -0.365 0.000 1.412 303 L CA 0.733 55.461 54.840 -0.187 0.000 1.219 303 L CB -0.841 41.194 42.059 -0.041 0.000 1.534 303 L HN 0.872 nan 8.230 nan 0.000 0.430 304 G N -1.007 107.330 108.800 -0.772 0.000 2.500 304 G HA2 0.387 4.347 3.960 -0.000 0.000 0.299 304 G HA3 0.387 4.347 3.960 -0.000 0.000 0.299 304 G C -1.195 173.455 174.900 -0.418 0.000 1.242 304 G CA -0.027 44.713 45.100 -0.600 0.000 0.859 304 G HN 0.057 nan 8.290 nan 0.000 0.481 305 T N -0.792 113.696 114.554 -0.111 0.000 2.937 305 T HA 0.697 5.047 4.350 -0.000 0.000 0.297 305 T C 0.247 174.986 174.700 0.064 0.000 0.991 305 T CA 1.449 63.597 62.100 0.081 0.000 0.990 305 T CB 0.464 69.492 68.868 0.268 0.000 0.991 305 T HN 2.601 nan 8.240 nan 0.000 0.440 306 G N 3.927 112.813 108.800 0.143 0.000 2.728 306 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.294 306 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.294 306 G C -0.513 174.406 174.900 0.031 0.000 1.342 306 G CA -0.308 44.834 45.100 0.071 0.000 0.866 306 G HN 0.945 nan 8.290 nan 0.000 0.534 307 D N 1.100 121.477 120.400 -0.038 0.000 2.581 307 D HA 0.086 4.726 4.640 -0.000 0.000 0.238 307 D C -0.575 175.515 176.300 -0.349 0.000 1.145 307 D CA -0.089 53.843 54.000 -0.114 0.000 0.866 307 D CB 0.949 41.750 40.800 0.002 0.000 1.151 307 D HN 0.203 nan 8.370 nan 0.000 0.500 308 P HA -0.026 nan 4.420 nan 0.000 0.258 308 P C -0.320 176.384 177.300 -0.994 0.000 1.403 308 P CA 0.425 62.855 63.100 -1.117 0.000 0.826 308 P CB -0.451 30.186 31.700 -1.771 0.000 1.414 309 Y N -1.702 118.540 120.300 -0.097 0.000 2.610 309 Y HA 0.175 4.725 4.550 -0.000 0.000 0.254 309 Y C 1.326 177.255 175.900 0.048 0.000 1.110 309 Y CA -0.207 57.893 58.100 0.000 0.000 1.238 309 Y CB 0.504 38.975 38.460 0.018 0.000 1.322 309 Y HN -0.037 nan 8.280 nan 0.000 0.547 310 T N 0.605 115.087 114.554 -0.120 0.000 3.532 310 T HA 0.285 4.635 4.350 -0.000 0.000 0.241 310 T C -3.073 171.157 174.700 -0.783 0.000 1.238 310 T CA -2.281 59.437 62.100 -0.637 0.000 1.405 310 T CB 0.209 68.843 68.868 -0.390 0.000 0.971 310 T HN -0.151 nan 8.240 nan 0.000 0.640 311 P HA 0.327 nan 4.420 nan 0.000 0.267 311 P C 1.129 178.308 177.300 -0.201 0.000 1.328 311 P CA 0.848 63.763 63.100 -0.309 0.000 0.990 311 P CB 0.186 31.820 31.700 -0.108 0.000 1.168 312 G N 3.753 112.409 108.800 -0.239 0.000 2.308 312 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.221 312 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.221 312 G C -0.186 174.788 174.900 0.124 0.000 1.032 312 G CA 0.053 45.184 45.100 0.052 0.000 0.623 312 G HN 0.565 nan 8.290 nan 0.000 0.506 313 F N 0.505 120.445 119.950 -0.017 0.000 2.508 313 F HA 0.867 5.394 4.527 0.000 0.000 0.325 313 F C -2.652 173.087 175.800 -0.102 0.000 1.090 313 F CA -3.395 54.574 58.000 -0.053 0.000 0.945 313 F CB 1.140 40.107 39.000 -0.054 0.000 1.156 313 F HN -0.052 nan 8.300 nan 0.000 0.463 314 P HA 0.122 nan 4.420 nan 0.000 0.270 314 P C -0.537 176.565 177.300 -0.331 0.000 1.227 314 P CA -0.127 62.856 63.100 -0.196 0.000 0.788 314 P CB 0.789 32.408 31.700 -0.135 0.000 0.926 315 S N 0.376 115.937 115.700 -0.232 0.000 2.707 315 S HA 0.612 5.082 4.470 -0.000 0.000 0.276 315 S C -0.237 174.196 174.600 -0.279 0.000 1.179 315 S CA -0.104 58.043 58.200 -0.089 0.000 0.992 315 S CB 0.261 63.550 63.200 0.149 0.000 1.030 315 S HN 0.269 nan 8.310 nan 0.000 0.554 316 F N -0.060 120.033 119.950 0.239 0.000 3.162 316 F HA 0.484 5.011 4.527 0.000 0.000 0.171 316 F C 1.015 176.909 175.800 0.157 0.000 1.616 316 F CA -1.124 56.986 58.000 0.183 0.000 0.939 316 F CB -0.271 38.808 39.000 0.131 0.000 1.924 316 F HN 0.505 nan 8.300 nan 0.000 0.267 317 N N -1.057 117.841 118.700 0.331 0.000 2.538 317 N HA 0.082 4.822 4.740 -0.000 0.000 0.292 317 N C 0.484 176.118 175.510 0.206 0.000 1.262 317 N CA -0.420 52.691 53.050 0.103 0.000 0.976 317 N CB 0.812 39.302 38.487 0.006 0.000 1.161 317 N HN 0.438 nan 8.380 nan 0.000 0.598 318 H N 0.037 119.140 119.070 0.054 0.000 2.451 318 H HA -0.021 4.535 4.556 -0.000 0.000 0.294 318 H C 1.680 177.020 175.328 0.020 0.000 1.028 318 H CA 1.792 57.873 56.048 0.054 0.000 1.349 318 H CB -0.224 29.556 29.762 0.031 0.000 1.444 318 H HN 0.718 nan 8.280 nan 0.000 0.538 319 T N -1.289 113.417 114.554 0.254 0.000 2.778 319 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 319 T C 1.146 175.896 174.700 0.083 0.000 1.050 319 T CA 1.094 63.285 62.100 0.151 0.000 1.137 319 T CB -0.068 68.831 68.868 0.051 0.000 0.860 319 T HN 0.382 nan 8.240 nan 0.000 0.468 320 Q N -0.543 119.298 119.800 0.067 0.000 2.312 320 Q HA 0.442 4.782 4.340 -0.000 0.000 0.263 320 Q C -1.197 174.855 176.000 0.087 0.000 0.995 320 Q CA -1.154 54.660 55.803 0.018 0.000 0.853 320 Q CB 0.633 29.343 28.738 -0.047 0.000 1.300 320 Q HN 0.306 nan 8.270 nan 0.000 0.448 321 F N 4.807 124.663 119.950 -0.156 0.000 2.457 321 F HA -0.139 4.388 4.527 -0.000 0.000 0.290 321 F C -2.259 173.490 175.800 -0.086 0.000 1.058 321 F CA 0.471 58.409 58.000 -0.105 0.000 1.051 321 F CB 0.184 39.125 39.000 -0.097 0.000 1.331 321 F HN 0.535 nan 8.300 nan 0.000 0.814 322 P HA 0.311 nan 4.420 nan 0.000 0.279 322 P C -2.251 174.736 177.300 -0.523 0.000 1.819 322 P CA -0.904 61.883 63.100 -0.521 0.000 1.258 322 P CB 0.387 31.720 31.700 -0.612 0.000 1.656 323 P HA -0.010 nan 4.420 nan 0.000 0.267 323 P C 1.442 178.470 177.300 -0.453 0.000 1.195 323 P CA 0.505 63.354 63.100 -0.418 0.000 0.773 323 P CB 0.577 32.047 31.700 -0.383 0.000 0.837 324 S N 1.165 116.696 115.700 -0.283 0.000 2.325 324 S HA -0.028 4.442 4.470 -0.000 0.000 0.213 324 S C 0.943 175.424 174.600 -0.198 0.000 1.031 324 S CA 1.026 59.081 58.200 -0.241 0.000 0.984 324 S CB -0.112 63.034 63.200 -0.090 0.000 0.939 324 S HN 0.664 nan 8.310 nan 0.000 0.438 325 R N -1.711 118.834 120.500 0.076 0.000 4.463 325 R HA 0.242 4.582 4.340 -0.000 0.000 0.244 325 R C 0.214 176.644 176.300 0.216 0.000 0.918 325 R CA 0.515 56.855 56.100 0.399 0.000 0.668 325 R CB -0.811 29.729 30.300 0.401 0.000 1.969 325 R HN 0.375 nan 8.270 nan 0.000 0.368 326 S N -0.775 115.025 115.700 0.166 0.000 3.011 326 S HA -0.146 4.324 4.470 -0.000 0.000 0.278 326 S C 0.017 174.665 174.600 0.080 0.000 1.300 326 S CA 1.435 59.695 58.200 0.101 0.000 1.248 326 S CB -1.275 61.975 63.200 0.083 0.000 1.517 326 S HN 0.589 nan 8.310 nan 0.000 0.685 327 S N 1.144 116.893 115.700 0.082 0.000 3.811 327 S HA 0.462 4.932 4.470 -0.000 0.000 0.205 327 S C 1.210 175.823 174.600 0.021 0.000 1.445 327 S CA 0.411 58.646 58.200 0.058 0.000 1.097 327 S CB 0.019 63.269 63.200 0.084 0.000 1.350 327 S HN 1.423 nan 8.310 nan 0.000 0.471 328 G N 0.680 109.509 108.800 0.049 0.000 2.135 328 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.183 328 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.183 328 G C -0.402 174.563 174.900 0.108 0.000 1.004 328 G CA -0.686 44.463 45.100 0.082 0.000 0.677 328 G HN 0.472 nan 8.290 nan 0.000 0.512 329 L N -0.519 120.740 121.223 0.061 0.000 2.334 329 L HA 0.624 4.964 4.340 -0.000 0.000 0.276 329 L C -0.359 176.568 176.870 0.094 0.000 1.014 329 L CA -1.976 52.907 54.840 0.072 0.000 0.815 329 L CB 1.298 43.380 42.059 0.039 0.000 1.268 329 L HN -0.111 nan 8.230 nan 0.000 0.428 330 P HA -0.339 nan 4.420 nan 0.000 0.217 330 P C 0.529 177.879 177.300 0.082 0.000 0.937 330 P CA 2.210 65.367 63.100 0.096 0.000 1.028 330 P CB -0.010 31.757 31.700 0.111 0.000 0.735 331 N N -4.941 113.811 118.700 0.087 0.000 2.967 331 N HA -0.126 4.614 4.740 -0.000 0.000 0.241 331 N C -1.179 174.371 175.510 0.066 0.000 0.983 331 N CA 0.621 53.715 53.050 0.074 0.000 0.918 331 N CB -1.282 37.244 38.487 0.064 0.000 1.109 331 N HN 0.041 nan 8.380 nan 0.000 0.567 332 I N 0.801 121.413 120.570 0.071 0.000 2.610 332 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 332 I C -2.328 173.830 176.117 0.069 0.000 1.163 332 I CA -1.884 59.455 61.300 0.064 0.000 1.044 332 I CB 1.823 39.859 38.000 0.060 0.000 1.251 332 I HN -0.098 nan 8.210 nan 0.000 0.424 333 P HA 0.086 nan 4.420 nan 0.000 0.264 333 P C -0.676 176.662 177.300 0.065 0.000 1.193 333 P CA 0.160 63.298 63.100 0.064 0.000 0.763 333 P CB 1.088 32.820 31.700 0.055 0.000 0.810 334 V N 4.202 124.155 119.914 0.065 0.000 2.483 334 V HA 0.372 4.492 4.120 -0.000 0.000 0.297 334 V C -0.067 176.050 176.094 0.039 0.000 1.027 334 V CA -0.386 61.952 62.300 0.062 0.000 0.855 334 V CB 1.567 33.434 31.823 0.074 0.000 0.995 334 V HN 0.486 nan 8.190 nan 0.000 0.424 335 Q N 2.371 122.191 119.800 0.033 0.000 2.323 335 Q HA 0.499 4.839 4.340 -0.000 0.000 0.271 335 Q C -0.487 175.490 176.000 -0.039 0.000 1.048 335 Q CA -0.167 55.635 55.803 -0.002 0.000 0.792 335 Q CB 2.160 30.907 28.738 0.015 0.000 1.280 335 Q HN 0.789 nan 8.270 nan 0.000 0.441 336 T N 3.512 117.970 114.554 -0.160 0.000 2.884 336 T HA 0.595 4.945 4.350 -0.000 0.000 0.298 336 T C -0.606 173.968 174.700 -0.209 0.000 0.998 336 T CA -0.080 61.809 62.100 -0.352 0.000 1.124 336 T CB 0.049 68.400 68.868 -0.861 0.000 0.931 336 T HN 0.489 nan 8.240 nan 0.000 0.531 337 I N 3.197 123.720 120.570 -0.077 0.000 2.608 337 I HA 0.380 4.550 4.170 -0.000 0.000 0.295 337 I C 0.137 176.368 176.117 0.189 0.000 1.049 337 I CA -0.322 61.010 61.300 0.053 0.000 1.063 337 I CB 2.170 40.214 38.000 0.072 0.000 1.248 337 I HN 0.606 nan 8.210 nan 0.000 0.424 338 S N 4.536 120.324 115.700 0.148 0.000 2.576 338 S HA 0.222 4.692 4.470 -0.000 0.000 0.276 338 S C 1.521 176.197 174.600 0.127 0.000 1.339 338 S CA -0.094 58.220 58.200 0.191 0.000 1.039 338 S CB 0.525 63.809 63.200 0.140 0.000 0.902 338 S HN 0.676 nan 8.310 nan 0.000 0.516 339 R N 3.358 123.946 120.500 0.147 0.000 2.113 339 R HA -0.200 4.140 4.340 -0.000 0.000 0.244 339 R C 2.244 178.527 176.300 -0.029 0.000 1.142 339 R CA 2.111 58.247 56.100 0.060 0.000 0.953 339 R CB -0.958 29.412 30.300 0.116 0.000 0.860 339 R HN 0.810 nan 8.270 nan 0.000 0.438 340 A N 0.577 123.408 122.820 0.019 0.000 1.873 340 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 340 A C 2.425 179.984 177.584 -0.041 0.000 1.193 340 A CA 2.176 54.214 52.037 0.001 0.000 0.629 340 A CB -1.135 17.884 19.000 0.032 0.000 0.826 340 A HN 0.605 nan 8.150 nan 0.000 0.447 341 A N -0.425 122.376 122.820 -0.032 0.000 1.902 341 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 341 A C 2.532 179.990 177.584 -0.209 0.000 1.181 341 A CA 2.293 54.293 52.037 -0.061 0.000 0.623 341 A CB -1.089 17.900 19.000 -0.018 0.000 0.818 341 A HN 1.180 nan 8.150 nan 0.000 0.443 342 A N -0.158 122.464 122.820 -0.329 0.000 1.883 342 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 342 A C 1.913 179.009 177.584 -0.814 0.000 1.186 342 A CA 1.782 53.356 52.037 -0.772 0.000 0.624 342 A CB -0.546 17.811 19.000 -1.073 0.000 0.822 342 A HN 0.510 nan 8.150 nan 0.000 0.444 343 E N 0.276 120.263 120.200 -0.355 0.000 2.068 343 E HA -0.274 4.076 4.350 -0.000 0.000 0.207 343 E C 1.944 178.480 176.600 -0.108 0.000 1.032 343 E CA 1.960 58.297 56.400 -0.105 0.000 0.839 343 E CB -0.499 29.181 29.700 -0.032 0.000 0.758 343 E HN 0.670 nan 8.360 nan 0.000 0.457 344 K N 0.380 120.711 120.400 -0.116 0.000 2.074 344 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 344 K C 2.245 178.790 176.600 -0.092 0.000 1.048 344 K CA 0.863 57.111 56.287 -0.065 0.000 0.926 344 K CB -0.191 32.296 32.500 -0.022 0.000 0.713 344 K HN 0.021 nan 8.250 nan 0.000 0.444 345 L N 0.064 121.153 121.223 -0.224 0.000 1.989 345 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 345 L C 2.230 179.038 176.870 -0.103 0.000 1.071 345 L CA 1.906 56.613 54.840 -0.222 0.000 0.749 345 L CB -1.114 40.705 42.059 -0.400 0.000 0.890 345 L HN 0.235 nan 8.230 nan 0.000 0.431 346 F N -0.079 119.826 119.950 -0.076 0.000 2.202 346 F HA -0.188 4.339 4.527 -0.000 0.000 0.301 346 F C 2.481 178.261 175.800 -0.033 0.000 1.082 346 F CA 0.530 58.489 58.000 -0.067 0.000 1.313 346 F CB -0.738 38.198 39.000 -0.107 0.000 1.024 346 F HN 0.215 nan 8.300 nan 0.000 0.495 347 G N -0.074 108.805 108.800 0.133 0.000 2.462 347 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 347 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 347 G C 0.822 175.760 174.900 0.064 0.000 1.121 347 G CA 0.672 45.819 45.100 0.078 0.000 0.758 347 G HN 0.415 nan 8.290 nan 0.000 0.559 348 N N 0.232 118.969 118.700 0.061 0.000 2.546 348 N HA 0.364 5.104 4.740 -0.000 0.000 0.286 348 N C -0.715 174.838 175.510 0.072 0.000 1.259 348 N CA -0.122 52.961 53.050 0.054 0.000 0.939 348 N CB 0.369 38.879 38.487 0.039 0.000 1.243 348 N HN 0.239 nan 8.380 nan 0.000 0.511 349 M N -0.151 119.505 119.600 0.092 0.000 2.326 349 M HA 0.188 4.668 4.480 -0.000 0.000 0.292 349 M C 0.782 177.129 176.300 0.078 0.000 1.081 349 M CA -0.465 54.897 55.300 0.104 0.000 0.919 349 M CB 3.047 35.746 32.600 0.165 0.000 1.634 349 M HN 0.010 nan 8.290 nan 0.000 0.451 350 E N 2.259 122.499 120.200 0.067 0.000 2.033 350 E HA 0.066 4.416 4.350 -0.000 0.000 0.189 350 E C 1.013 177.636 176.600 0.039 0.000 0.979 350 E CA 0.645 57.074 56.400 0.047 0.000 0.802 350 E CB 0.192 29.918 29.700 0.045 0.000 0.763 350 E HN 0.920 nan 8.360 nan 0.000 0.449 351 G N 0.597 109.429 108.800 0.053 0.000 2.825 351 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.241 351 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.241 351 G C -0.663 174.241 174.900 0.006 0.000 1.239 351 G CA 0.117 45.240 45.100 0.039 0.000 0.859 351 G HN 0.283 nan 8.290 nan 0.000 0.598 352 D N -1.451 118.931 120.400 -0.029 0.000 2.629 352 D HA 0.285 4.925 4.640 -0.000 0.000 0.250 352 D C -0.233 176.001 176.300 -0.111 0.000 1.126 352 D CA -0.566 53.394 54.000 -0.068 0.000 0.852 352 D CB 1.260 42.014 40.800 -0.075 0.000 1.335 352 D HN 0.396 nan 8.370 nan 0.000 0.518 353 c N 5.087 123.615 118.600 -0.121 0.000 2.590 353 c HA 0.240 4.810 4.570 -0.000 0.000 0.411 353 c C -1.763 172.168 174.090 -0.266 0.000 1.420 353 c CA -0.733 55.503 56.329 -0.156 0.000 1.643 353 c CB -0.585 41.869 42.510 -0.093 0.000 2.528 353 c HN 0.554 nan 8.230 nan 0.000 0.606 354 P HA 0.130 nan 4.420 nan 0.000 0.272 354 P C 0.343 177.407 177.300 -0.393 0.000 1.240 354 P CA 0.032 62.790 63.100 -0.571 0.000 0.791 354 P CB 0.595 31.680 31.700 -1.024 0.000 0.978 355 S N -0.403 115.131 115.700 -0.277 0.000 2.501 355 S HA -0.090 4.380 4.470 -0.000 0.000 0.220 355 S C 1.519 176.059 174.600 -0.100 0.000 0.997 355 S CA 0.456 58.570 58.200 -0.142 0.000 0.919 355 S CB -0.729 62.407 63.200 -0.108 0.000 0.778 355 S HN 0.444 nan 8.310 nan 0.000 0.523 356 D N 0.799 121.087 120.400 -0.187 0.000 2.116 356 D HA -0.137 4.503 4.640 -0.000 0.000 0.193 356 D C -0.046 176.370 176.300 0.194 0.000 0.998 356 D CA 0.696 54.664 54.000 -0.054 0.000 0.836 356 D CB -0.144 40.537 40.800 -0.199 0.000 0.951 356 D HN 0.567 nan 8.370 nan 0.000 0.449 357 W N 1.770 122.939 121.300 -0.218 0.000 2.591 357 W HA 0.056 4.716 4.660 -0.000 0.000 0.330 357 W C 0.633 177.038 176.519 -0.190 0.000 1.435 357 W CA -1.048 56.132 57.345 -0.276 0.000 1.350 357 W CB 0.157 29.446 29.460 -0.285 0.000 1.434 357 W HN -0.171 nan 8.180 nan 0.000 0.553 358 K N 3.349 123.787 120.400 0.063 0.000 2.360 358 K HA 0.054 4.374 4.320 -0.000 0.000 0.225 358 K C 0.360 176.959 176.600 -0.001 0.000 1.246 358 K CA 0.270 56.576 56.287 0.031 0.000 1.198 358 K CB -0.223 32.304 32.500 0.045 0.000 1.348 358 K HN 0.327 nan 8.250 nan 0.000 0.232 359 T N -0.823 113.744 114.554 0.022 0.000 2.572 359 T HA 0.330 4.680 4.350 -0.000 0.000 0.244 359 T C -0.917 173.800 174.700 0.029 0.000 0.860 359 T CA -0.736 61.377 62.100 0.021 0.000 1.125 359 T CB 1.106 70.003 68.868 0.049 0.000 1.491 359 T HN 0.165 nan 8.240 nan 0.000 0.532 360 D N -0.005 120.417 120.400 0.036 0.000 2.661 360 D HA 0.470 5.110 4.640 -0.000 0.000 0.228 360 D C -0.263 176.041 176.300 0.006 0.000 1.210 360 D CA -0.263 53.749 54.000 0.020 0.000 0.826 360 D CB 1.831 42.648 40.800 0.028 0.000 1.542 360 D HN 0.621 nan 8.370 nan 0.000 0.447 361 S N 0.648 116.339 115.700 -0.014 0.000 2.545 361 S HA 0.048 4.518 4.470 -0.000 0.000 0.268 361 S C 0.649 175.223 174.600 -0.043 0.000 1.369 361 S CA 1.221 59.400 58.200 -0.035 0.000 1.001 361 S CB 0.208 63.392 63.200 -0.026 0.000 0.838 361 S HN 0.773 nan 8.310 nan 0.000 0.520 362 T N -1.861 112.650 114.554 -0.072 0.000 8.460 362 T HA -0.210 4.140 4.350 -0.000 0.000 0.312 362 T C 0.618 175.181 174.700 -0.228 0.000 2.053 362 T CA 0.678 62.734 62.100 -0.072 0.000 3.457 362 T CB -2.472 66.397 68.868 0.001 0.000 1.500 362 T HN 1.718 nan 8.240 nan 0.000 0.559 363 c N 4.563 122.866 118.600 -0.494 0.000 2.520 363 c HA 0.899 5.469 4.570 -0.000 0.000 0.376 363 c C 1.072 174.812 174.090 -0.583 0.000 1.268 363 c CA -1.056 54.549 56.329 -1.206 0.000 2.414 363 c CB 0.576 42.138 42.510 -1.579 0.000 2.521 363 c HN 0.504 nan 8.230 nan 0.000 0.618 364 R N 1.471 121.665 120.500 -0.511 0.000 2.917 364 R HA 0.557 4.897 4.340 -0.000 0.000 0.220 364 R C 0.237 176.567 176.300 0.051 0.000 1.485 364 R CA -0.804 55.239 56.100 -0.096 0.000 1.037 364 R CB 0.153 30.486 30.300 0.055 0.000 1.929 364 R HN 0.707 nan 8.270 nan 0.000 0.526 365 M N -0.741 118.937 119.600 0.130 0.000 2.532 365 M HA 0.250 4.730 4.480 -0.000 0.000 0.244 365 M C -0.520 175.916 176.300 0.228 0.000 1.390 365 M CA 0.579 56.007 55.300 0.214 0.000 1.132 365 M CB 1.032 33.711 32.600 0.132 0.000 1.466 365 M HN 0.182 nan 8.290 nan 0.000 0.550 366 V N 0.026 120.042 119.914 0.171 0.000 2.971 366 V HA 0.474 4.593 4.120 -0.000 0.000 0.309 366 V C -0.189 175.984 176.094 0.133 0.000 1.130 366 V CA -1.212 61.181 62.300 0.154 0.000 0.964 366 V CB 1.787 33.684 31.823 0.124 0.000 1.029 366 V HN 0.422 nan 8.190 nan 0.000 0.427 367 T N 0.398 115.025 114.554 0.121 0.000 2.900 367 T HA 0.248 4.598 4.350 -0.000 0.000 0.307 367 T C 0.436 175.182 174.700 0.077 0.000 1.065 367 T CA -0.079 62.079 62.100 0.098 0.000 1.105 367 T CB 0.641 69.557 68.868 0.079 0.000 0.979 367 T HN 1.064 nan 8.240 nan 0.000 0.544 368 S N 1.649 117.388 115.700 0.066 0.000 2.498 368 S HA 0.068 4.538 4.470 -0.000 0.000 0.281 368 S C 1.221 175.850 174.600 0.047 0.000 1.265 368 S CA -0.689 57.542 58.200 0.053 0.000 1.071 368 S CB 0.820 64.047 63.200 0.045 0.000 0.894 368 S HN 0.834 nan 8.310 nan 0.000 0.491 369 E N 3.726 123.953 120.200 0.045 0.000 2.172 369 E HA -0.340 4.010 4.350 -0.000 0.000 0.213 369 E C 2.034 178.655 176.600 0.035 0.000 1.051 369 E CA 2.335 58.759 56.400 0.040 0.000 0.860 369 E CB -0.829 28.894 29.700 0.037 0.000 0.755 369 E HN 0.971 nan 8.360 nan 0.000 0.462 370 S N 0.244 115.964 115.700 0.032 0.000 2.421 370 S HA -0.265 4.205 4.470 -0.000 0.000 0.239 370 S C 0.699 175.316 174.600 0.028 0.000 1.054 370 S CA 1.843 60.059 58.200 0.028 0.000 1.035 370 S CB -0.395 62.821 63.200 0.027 0.000 0.840 370 S HN 0.327 nan 8.310 nan 0.000 0.475 371 K N 0.143 120.562 120.400 0.031 0.000 2.607 371 K HA 0.626 4.946 4.320 -0.000 0.000 0.287 371 K C -1.180 175.440 176.600 0.034 0.000 0.996 371 K CA -0.674 55.631 56.287 0.030 0.000 0.876 371 K CB 0.305 32.822 32.500 0.028 0.000 1.496 371 K HN 0.358 nan 8.250 nan 0.000 0.415 372 N N -1.100 117.619 118.700 0.031 0.000 3.002 372 N HA 0.730 5.470 4.740 -0.000 0.000 0.331 372 N C -1.327 174.200 175.510 0.029 0.000 1.384 372 N CA -0.969 52.101 53.050 0.034 0.000 0.780 372 N CB 1.324 39.832 38.487 0.034 0.000 1.492 372 N HN 0.458 nan 8.380 nan 0.000 0.608 373 V N -1.519 118.413 119.914 0.030 0.000 2.823 373 V HA 0.580 4.700 4.120 -0.000 0.000 0.312 373 V C -1.273 174.834 176.094 0.022 0.000 1.072 373 V CA -0.854 61.459 62.300 0.022 0.000 0.937 373 V CB 1.708 33.543 31.823 0.021 0.000 1.013 373 V HN 0.815 nan 8.190 nan 0.000 0.430 374 K N 4.633 125.041 120.400 0.014 0.000 2.376 374 K HA 0.620 4.940 4.320 -0.000 0.000 0.257 374 K C -1.700 174.907 176.600 0.012 0.000 0.939 374 K CA -0.732 55.563 56.287 0.014 0.000 0.809 374 K CB 1.704 34.209 32.500 0.009 0.000 1.121 374 K HN 0.617 nan 8.250 nan 0.000 0.425 375 L N 3.570 124.804 121.223 0.019 0.000 2.282 375 L HA 0.454 4.794 4.340 -0.000 0.000 0.288 375 L C -0.906 175.976 176.870 0.020 0.000 1.033 375 L CA 0.320 55.172 54.840 0.021 0.000 0.807 375 L CB 1.739 43.817 42.059 0.031 0.000 1.209 375 L HN 0.657 nan 8.230 nan 0.000 0.423 376 T N 5.676 120.239 114.554 0.016 0.000 2.930 376 T HA 0.587 4.937 4.350 -0.000 0.000 0.313 376 T C -1.227 173.485 174.700 0.020 0.000 1.019 376 T CA -0.415 61.694 62.100 0.016 0.000 1.004 376 T CB 0.257 69.129 68.868 0.007 0.000 0.987 376 T HN 0.600 nan 8.240 nan 0.000 0.456 377 V N 3.344 123.276 119.914 0.029 0.000 2.378 377 V HA 0.859 4.979 4.120 -0.000 0.000 0.288 377 V C -0.020 176.096 176.094 0.036 0.000 1.016 377 V CA -0.844 61.479 62.300 0.038 0.000 0.840 377 V CB 1.269 33.125 31.823 0.054 0.000 0.994 377 V HN 0.877 nan 8.190 nan 0.000 0.431 378 S N 3.903 119.618 115.700 0.025 0.000 2.516 378 S HA 0.592 5.062 4.470 -0.000 0.000 0.268 378 S C -0.520 174.086 174.600 0.009 0.000 1.251 378 S CA -0.704 57.507 58.200 0.018 0.000 1.153 378 S CB 0.113 63.316 63.200 0.006 0.000 1.009 378 S HN 0.787 nan 8.310 nan 0.000 0.479 379 N N 1.446 120.163 118.700 0.028 0.000 2.362 379 N HA 0.706 5.446 4.740 -0.000 0.000 0.299 379 N C -0.731 174.796 175.510 0.029 0.000 1.170 379 N CA -0.556 52.507 53.050 0.020 0.000 0.825 379 N CB 2.193 40.730 38.487 0.085 0.000 1.299 379 N HN 0.633 nan 8.380 nan 0.000 0.502 380 V N -1.457 118.466 119.914 0.015 0.000 2.962 380 V HA 0.596 4.716 4.120 -0.000 0.000 0.313 380 V C -0.108 176.008 176.094 0.036 0.000 1.099 380 V CA -1.039 61.276 62.300 0.025 0.000 0.971 380 V CB 1.569 33.396 31.823 0.006 0.000 1.028 380 V HN 0.420 nan 8.190 nan 0.000 0.430 381 L N 2.482 123.735 121.223 0.050 0.000 2.417 381 L HA 0.563 4.903 4.340 -0.000 0.000 0.268 381 L C 0.245 177.145 176.870 0.050 0.000 1.158 381 L CA -0.141 54.736 54.840 0.062 0.000 0.819 381 L CB 0.985 43.093 42.059 0.082 0.000 1.112 381 L HN 0.862 nan 8.230 nan 0.000 0.458 382 K N 3.038 123.467 120.400 0.047 0.000 2.716 382 K HA 0.154 4.474 4.320 -0.000 0.000 0.249 382 K C -0.805 175.831 176.600 0.061 0.000 1.004 382 K CA -0.542 55.770 56.287 0.042 0.000 0.968 382 K CB 1.301 33.811 32.500 0.016 0.000 1.214 382 K HN 0.601 nan 8.250 nan 0.000 0.476 383 E N 6.109 126.377 120.200 0.113 0.000 2.415 383 E HA 0.041 4.391 4.350 -0.000 0.000 0.260 383 E C -0.138 176.551 176.600 0.148 0.000 1.016 383 E CA -0.070 56.434 56.400 0.172 0.000 0.924 383 E CB 0.348 30.196 29.700 0.246 0.000 0.961 383 E HN 0.545 nan 8.360 nan 0.000 0.459 384 I N 0.767 121.400 120.570 0.106 0.000 3.067 384 I HA 0.517 4.687 4.170 -0.000 0.000 0.312 384 I C -0.630 175.451 176.117 -0.059 0.000 1.073 384 I CA -1.264 60.055 61.300 0.033 0.000 1.016 384 I CB 1.835 39.815 38.000 -0.034 0.000 1.227 384 I HN 0.255 nan 8.210 nan 0.000 0.456 385 K N 3.438 123.728 120.400 -0.183 0.000 2.404 385 K HA 0.542 4.862 4.320 -0.000 0.000 0.257 385 K C -0.880 175.581 176.600 -0.232 0.000 1.026 385 K CA -0.569 55.433 56.287 -0.475 0.000 0.951 385 K CB 0.792 32.940 32.500 -0.587 0.000 1.203 385 K HN 0.570 nan 8.250 nan 0.000 0.446 386 I N 3.652 124.140 120.570 -0.137 0.000 2.696 386 I HA 0.070 4.240 4.170 -0.000 0.000 0.284 386 I C -0.143 175.989 176.117 0.025 0.000 1.129 386 I CA -0.480 60.822 61.300 0.003 0.000 1.410 386 I CB 0.537 38.598 38.000 0.101 0.000 1.399 386 I HN 0.386 nan 8.210 nan 0.000 0.579 387 L N 6.581 127.833 121.223 0.048 0.000 2.442 387 L HA 0.403 4.743 4.340 -0.000 0.000 0.261 387 L C -0.721 176.173 176.870 0.040 0.000 1.000 387 L CA -0.221 54.644 54.840 0.042 0.000 0.882 387 L CB 0.484 42.541 42.059 -0.002 0.000 1.207 387 L HN 0.460 nan 8.230 nan 0.000 0.443 388 N N 5.484 124.246 118.700 0.103 0.000 2.488 388 N HA 0.393 5.133 4.740 -0.000 0.000 0.274 388 N C -0.718 174.681 175.510 -0.185 0.000 1.111 388 N CA -0.239 52.784 53.050 -0.045 0.000 0.974 388 N CB 1.866 40.429 38.487 0.127 0.000 1.089 388 N HN 0.351 nan 8.380 nan 0.000 0.465 389 I N 3.243 123.552 120.570 -0.435 0.000 2.362 389 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 389 I C 0.160 175.899 176.117 -0.629 0.000 0.994 389 I CA -0.437 60.639 61.300 -0.373 0.000 1.158 389 I CB 0.205 38.041 38.000 -0.272 0.000 1.315 389 I HN 0.286 nan 8.210 nan 0.000 0.451 390 F N 2.789 122.335 119.950 -0.673 0.000 2.476 390 F HA 0.847 5.374 4.527 -0.000 0.000 0.358 390 F C 0.901 176.313 175.800 -0.647 0.000 1.091 390 F CA -0.549 56.897 58.000 -0.923 0.000 1.131 390 F CB 1.199 39.037 39.000 -1.938 0.000 1.653 390 F HN 0.478 nan 8.300 nan 0.000 0.518 391 G N 0.286 108.803 108.800 -0.472 0.000 2.026 391 G HA2 0.459 4.419 3.960 -0.000 0.000 0.208 391 G HA3 0.459 4.419 3.960 -0.000 0.000 0.208 391 G C -1.829 173.085 174.900 0.022 0.000 1.640 391 G CA -0.413 44.560 45.100 -0.212 0.000 0.946 391 G HN 0.857 nan 8.290 nan 0.000 0.709 392 V N 0.342 120.419 119.914 0.272 0.000 3.177 392 V HA 0.913 5.033 4.120 -0.000 0.000 0.319 392 V C 0.163 176.413 176.094 0.260 0.000 1.125 392 V CA -1.468 61.026 62.300 0.323 0.000 1.029 392 V CB 2.100 34.218 31.823 0.491 0.000 1.119 392 V HN 0.759 nan 8.190 nan 0.000 0.452 393 I N 1.152 121.857 120.570 0.224 0.000 2.623 393 I HA 0.361 4.531 4.170 -0.000 0.000 0.275 393 I C -0.250 175.925 176.117 0.098 0.000 1.108 393 I CA -0.769 60.634 61.300 0.171 0.000 1.120 393 I CB 1.202 39.325 38.000 0.206 0.000 1.249 393 I HN 0.664 nan 8.210 nan 0.000 0.500 394 K N 3.117 123.560 120.400 0.071 0.000 2.578 394 K HA 0.032 4.352 4.320 -0.000 0.000 0.279 394 K C 0.657 177.232 176.600 -0.042 0.000 0.983 394 K CA 0.558 56.834 56.287 -0.019 0.000 1.078 394 K CB 0.373 32.839 32.500 -0.057 0.000 0.852 394 K HN 0.647 nan 8.250 nan 0.000 0.490 395 G N 1.603 110.368 108.800 -0.059 0.000 2.563 395 G HA2 0.291 4.251 3.960 -0.000 0.000 0.283 395 G HA3 0.291 4.251 3.960 -0.000 0.000 0.283 395 G C -0.105 174.856 174.900 0.100 0.000 1.309 395 G CA -0.494 44.657 45.100 0.084 0.000 1.022 395 G HN 0.545 nan 8.290 nan 0.000 0.501 396 F N -1.755 118.153 119.950 -0.071 0.000 2.727 396 F HA 0.246 4.773 4.527 -0.000 0.000 0.302 396 F C 1.884 177.661 175.800 -0.038 0.000 1.107 396 F CA -0.011 57.960 58.000 -0.048 0.000 1.277 396 F CB 0.691 39.667 39.000 -0.040 0.000 1.079 396 F HN 0.168 nan 8.300 nan 0.000 0.594 397 V N -1.700 118.294 119.914 0.133 0.000 3.251 397 V HA 0.136 4.256 4.120 -0.000 0.000 0.239 397 V C 0.446 176.535 176.094 -0.009 0.000 1.332 397 V CA 0.245 62.579 62.300 0.057 0.000 1.224 397 V CB 0.554 32.412 31.823 0.058 0.000 1.004 397 V HN 0.005 nan 8.190 nan 0.000 0.464 398 E N 0.384 120.570 120.200 -0.024 0.000 3.582 398 E HA 0.209 4.559 4.350 -0.000 0.000 0.217 398 E C -2.072 174.451 176.600 -0.128 0.000 1.092 398 E CA -1.429 54.904 56.400 -0.112 0.000 1.365 398 E CB 1.080 30.732 29.700 -0.080 0.000 1.278 398 E HN 0.397 nan 8.360 nan 0.000 0.439 399 P HA -0.203 nan 4.420 nan 0.000 0.219 399 P C 0.340 177.474 177.300 -0.277 0.000 1.145 399 P CA 1.265 64.265 63.100 -0.167 0.000 0.813 399 P CB 0.182 31.812 31.700 -0.116 0.000 0.771 400 D N -2.772 117.513 120.400 -0.192 0.000 2.388 400 D HA 0.052 4.692 4.640 -0.000 0.000 0.221 400 D C 0.041 176.419 176.300 0.129 0.000 1.133 400 D CA 0.213 54.191 54.000 -0.036 0.000 0.831 400 D CB -0.254 40.566 40.800 0.033 0.000 0.962 400 D HN 0.377 nan 8.370 nan 0.000 0.502 401 H N -0.020 118.996 119.070 -0.090 0.000 2.638 401 H HA 0.220 4.776 4.556 -0.000 0.000 0.317 401 H C -0.573 174.801 175.328 0.078 0.000 1.006 401 H CA -0.628 55.530 56.048 0.183 0.000 1.222 401 H CB 0.818 30.724 29.762 0.239 0.000 1.419 401 H HN -0.109 nan 8.280 nan 0.000 0.489 402 Y N 1.386 121.827 120.300 0.235 0.000 2.519 402 Y HA 0.366 4.916 4.550 -0.000 0.000 0.324 402 Y C 0.192 175.819 175.900 -0.456 0.000 1.214 402 Y CA -1.049 57.050 58.100 -0.001 0.000 1.260 402 Y CB 1.192 39.688 38.460 0.060 0.000 1.311 402 Y HN 0.244 nan 8.280 nan 0.000 0.505 403 V N 2.097 121.858 119.914 -0.255 0.000 2.320 403 V HA 0.201 4.321 4.120 -0.000 0.000 0.268 403 V C -0.725 175.247 176.094 -0.202 0.000 1.021 403 V CA -0.947 61.077 62.300 -0.460 0.000 0.813 403 V CB 0.577 32.155 31.823 -0.408 0.000 1.054 403 V HN 0.528 nan 8.190 nan 0.000 0.444 404 V N 4.769 124.675 119.914 -0.014 0.000 2.458 404 V HA 0.089 4.209 4.120 -0.000 0.000 0.287 404 V C 0.349 176.395 176.094 -0.078 0.000 1.009 404 V CA 0.210 62.586 62.300 0.125 0.000 1.091 404 V CB 1.147 33.280 31.823 0.516 0.000 0.960 404 V HN 0.568 nan 8.190 nan 0.000 0.476 405 V N 5.740 125.528 119.914 -0.210 0.000 2.293 405 V HA 0.645 4.765 4.120 -0.000 0.000 0.275 405 V C 0.760 176.758 176.094 -0.160 0.000 1.021 405 V CA -0.107 62.013 62.300 -0.300 0.000 0.815 405 V CB 1.057 32.665 31.823 -0.359 0.000 1.025 405 V HN 0.940 nan 8.190 nan 0.000 0.448 406 G N 3.078 111.808 108.800 -0.117 0.000 2.521 406 G HA2 0.849 4.809 3.960 -0.000 0.000 0.323 406 G HA3 0.849 4.809 3.960 -0.000 0.000 0.323 406 G C -0.659 174.278 174.900 0.063 0.000 1.211 406 G CA -0.370 44.823 45.100 0.155 0.000 0.979 406 G HN 1.242 nan 8.290 nan 0.000 0.490 407 A N -0.095 122.771 122.820 0.077 0.000 2.508 407 A HA 0.511 4.831 4.320 -0.000 0.000 0.297 407 A C -0.413 177.234 177.584 0.106 0.000 1.036 407 A CA -0.521 51.555 52.037 0.066 0.000 0.957 407 A CB 0.729 19.710 19.000 -0.033 0.000 1.428 407 A HN 0.898 nan 8.150 nan 0.000 0.393 408 Q N 1.996 121.920 119.800 0.205 0.000 2.304 408 Q HA 0.160 4.500 4.340 -0.000 0.000 0.301 408 Q C 0.734 176.788 176.000 0.091 0.000 1.063 408 Q CA 0.752 56.675 55.803 0.199 0.000 0.947 408 Q CB 0.486 29.333 28.738 0.181 0.000 1.201 408 Q HN 0.760 nan 8.270 nan 0.000 0.389 409 R N 2.852 123.398 120.500 0.077 0.000 2.344 409 R HA 0.053 4.393 4.340 -0.000 0.000 0.209 409 R C -0.242 176.087 176.300 0.048 0.000 0.886 409 R CA 0.445 56.556 56.100 0.018 0.000 1.040 409 R CB 0.466 30.737 30.300 -0.048 0.000 1.114 409 R HN 0.884 nan 8.270 nan 0.000 0.547 410 D N 0.044 120.505 120.400 0.101 0.000 2.432 410 D HA 0.499 5.139 4.640 -0.000 0.000 0.258 410 D C -0.791 175.590 176.300 0.136 0.000 1.146 410 D CA -0.456 53.615 54.000 0.119 0.000 1.015 410 D CB 1.878 42.777 40.800 0.165 0.000 1.107 410 D HN 0.127 nan 8.370 nan 0.000 0.529 411 A N -0.897 122.007 122.820 0.140 0.000 2.590 411 A HA 0.274 4.594 4.320 -0.000 0.000 0.294 411 A C -0.744 176.930 177.584 0.149 0.000 1.046 411 A CA -0.816 51.315 52.037 0.158 0.000 0.684 411 A CB 0.228 19.312 19.000 0.139 0.000 1.279 411 A HN 0.703 nan 8.150 nan 0.000 0.415 412 W N 2.023 123.279 121.300 -0.073 0.000 2.418 412 W HA 0.310 4.970 4.660 0.000 0.000 0.319 412 W C 1.470 177.957 176.519 -0.054 0.000 1.183 412 W CA 2.818 60.040 57.345 -0.205 0.000 1.327 412 W CB -0.504 28.729 29.460 -0.379 0.000 1.163 412 W HN 0.989 nan 8.180 nan 0.000 0.479 413 G N 0.000 108.899 108.800 0.165 0.000 2.624 413 G HA2 0.081 4.041 3.960 -0.000 0.000 0.217 413 G HA3 0.081 4.041 3.960 -0.000 0.000 0.217 413 G C -1.777 173.135 174.900 0.021 0.000 1.506 413 G CA 0.270 45.359 45.100 -0.019 0.000 1.072 413 G HN 0.092 nan 8.290 nan 0.000 0.568 414 P HA 0.055 nan 4.420 nan 0.000 0.236 414 P C 1.141 178.506 177.300 0.107 0.000 1.177 414 P CA 1.041 64.183 63.100 0.070 0.000 0.773 414 P CB 0.042 31.789 31.700 0.078 0.000 0.878 415 G N 1.281 110.166 108.800 0.142 0.000 2.385 415 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.284 415 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.284 415 G C 1.140 176.108 174.900 0.114 0.000 0.899 415 G CA 0.380 45.568 45.100 0.146 0.000 1.204 415 G HN 0.493 nan 8.290 nan 0.000 0.486 416 A N -0.211 122.688 122.820 0.131 0.000 1.972 416 A HA 0.279 4.599 4.320 -0.000 0.000 0.219 416 A C 2.678 180.300 177.584 0.064 0.000 1.169 416 A CA 2.211 54.325 52.037 0.128 0.000 0.635 416 A CB -0.374 18.742 19.000 0.194 0.000 0.810 416 A HN 1.719 nan 8.150 nan 0.000 0.446 417 A N -0.139 122.681 122.820 -0.000 0.000 1.862 417 A HA 0.080 4.400 4.320 -0.000 0.000 0.211 417 A C 2.012 179.562 177.584 -0.058 0.000 1.220 417 A CA 1.644 53.603 52.037 -0.129 0.000 0.616 417 A CB -0.485 18.238 19.000 -0.462 0.000 0.878 417 A HN 0.433 nan 8.150 nan 0.000 0.453 418 K N -0.342 120.056 120.400 -0.004 0.000 2.127 418 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 418 K C 1.806 178.439 176.600 0.055 0.000 1.047 418 K CA 2.239 58.555 56.287 0.048 0.000 0.927 418 K CB -0.159 32.410 32.500 0.116 0.000 0.716 418 K HN 0.410 nan 8.250 nan 0.000 0.450 419 S N -2.485 113.249 115.700 0.056 0.000 2.691 419 S HA 0.236 4.706 4.470 -0.000 0.000 0.258 419 S C 1.497 176.114 174.600 0.028 0.000 1.078 419 S CA 0.132 58.362 58.200 0.050 0.000 1.000 419 S CB -0.009 63.232 63.200 0.068 0.000 0.942 419 S HN 0.478 nan 8.310 nan 0.000 0.521 420 G N 2.187 111.010 108.800 0.039 0.000 2.575 420 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.215 420 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.215 420 G C 1.397 176.310 174.900 0.022 0.000 1.262 420 G CA 1.439 46.563 45.100 0.039 0.000 0.807 420 G HN 0.402 nan 8.290 nan 0.000 0.567 421 V N 2.007 121.939 119.914 0.029 0.000 2.277 421 V HA -0.223 3.897 4.120 -0.000 0.000 0.253 421 V C 3.090 179.167 176.094 -0.028 0.000 1.067 421 V CA 2.316 64.622 62.300 0.011 0.000 1.047 421 V CB -1.471 30.361 31.823 0.015 0.000 0.649 421 V HN 0.511 nan 8.190 nan 0.000 0.447 422 G N -0.394 108.393 108.800 -0.023 0.000 2.604 422 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 422 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 422 G C 1.637 176.507 174.900 -0.051 0.000 1.265 422 G CA 1.591 46.669 45.100 -0.037 0.000 0.804 422 G HN 0.446 nan 8.290 nan 0.000 0.579 423 T N 1.749 116.276 114.554 -0.046 0.000 2.778 423 T HA -0.075 4.275 4.350 -0.000 0.000 0.269 423 T C 2.697 177.353 174.700 -0.074 0.000 1.050 423 T CA 1.661 63.718 62.100 -0.070 0.000 1.137 423 T CB -0.399 68.419 68.868 -0.084 0.000 0.860 423 T HN 0.433 nan 8.240 nan 0.000 0.468 424 A N 1.161 123.944 122.820 -0.062 0.000 1.877 424 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 424 A C 2.295 179.786 177.584 -0.156 0.000 1.186 424 A CA 1.276 53.273 52.037 -0.066 0.000 0.620 424 A CB -0.782 18.196 19.000 -0.036 0.000 0.822 424 A HN 0.487 nan 8.150 nan 0.000 0.443 425 L N -0.860 120.239 121.223 -0.207 0.000 2.027 425 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 425 L C 2.608 179.397 176.870 -0.135 0.000 1.074 425 L CA 1.077 55.742 54.840 -0.291 0.000 0.745 425 L CB -0.566 41.373 42.059 -0.202 0.000 0.898 425 L HN 0.448 nan 8.230 nan 0.000 0.433 426 L N -0.115 121.073 121.223 -0.059 0.000 1.997 426 L HA -0.312 4.028 4.340 -0.000 0.000 0.216 426 L C 2.582 179.457 176.870 0.009 0.000 1.074 426 L CA 1.741 56.596 54.840 0.025 0.000 0.763 426 L CB -0.169 41.902 42.059 0.020 0.000 0.890 426 L HN 0.244 nan 8.230 nan 0.000 0.434 427 L N -0.583 120.633 121.223 -0.012 0.000 1.961 427 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 427 L C 2.742 179.530 176.870 -0.136 0.000 1.072 427 L CA 1.270 56.129 54.840 0.030 0.000 0.749 427 L CB -0.685 41.393 42.059 0.031 0.000 0.889 427 L HN 0.153 nan 8.230 nan 0.000 0.432 428 K N -0.142 120.206 120.400 -0.086 0.000 2.160 428 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 428 K C 2.006 178.547 176.600 -0.097 0.000 1.047 428 K CA 1.258 57.511 56.287 -0.058 0.000 0.930 428 K CB -0.637 31.905 32.500 0.069 0.000 0.720 428 K HN 0.123 nan 8.250 nan 0.000 0.450 429 L N 0.564 121.741 121.223 -0.076 0.000 2.156 429 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 429 L C 2.064 178.978 176.870 0.074 0.000 1.095 429 L CA 1.496 56.398 54.840 0.103 0.000 0.770 429 L CB -0.754 41.428 42.059 0.204 0.000 0.914 429 L HN 0.108 nan 8.230 nan 0.000 0.439 430 A N -1.352 121.197 122.820 -0.452 0.000 1.930 430 A HA -0.216 4.104 4.320 -0.000 0.000 0.215 430 A C 2.252 179.378 177.584 -0.763 0.000 1.176 430 A CA 1.312 52.635 52.037 -1.191 0.000 0.632 430 A CB -0.527 17.500 19.000 -1.622 0.000 0.819 430 A HN 0.564 nan 8.150 nan 0.000 0.445 431 Q N -0.672 118.546 119.800 -0.970 0.000 2.096 431 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 431 Q C 2.037 177.811 176.000 -0.378 0.000 0.982 431 Q CA 1.951 57.119 55.803 -1.058 0.000 0.850 431 Q CB -0.214 27.948 28.738 -0.961 0.000 0.901 431 Q HN 0.709 nan 8.270 nan 0.000 0.422 432 M N -0.696 118.767 119.600 -0.228 0.000 2.064 432 M HA -0.116 4.364 4.480 -0.000 0.000 0.260 432 M C 1.933 178.156 176.300 -0.128 0.000 1.073 432 M CA 1.465 56.660 55.300 -0.174 0.000 1.124 432 M CB -0.420 32.035 32.600 -0.241 0.000 1.326 432 M HN 0.195 nan 8.290 nan 0.000 0.410 433 F N 1.144 121.141 119.950 0.079 0.000 2.120 433 F HA -0.267 4.260 4.527 0.000 0.000 0.300 433 F C 3.014 178.926 175.800 0.187 0.000 1.095 433 F CA 1.905 60.047 58.000 0.236 0.000 1.249 433 F CB -1.082 38.145 39.000 0.378 0.000 0.995 433 F HN 0.272 nan 8.300 nan 0.000 0.480 434 S N -0.422 115.422 115.700 0.239 0.000 2.359 434 S HA -0.290 4.180 4.470 -0.000 0.000 0.224 434 S C 1.767 176.448 174.600 0.136 0.000 1.035 434 S CA 1.612 59.910 58.200 0.164 0.000 1.018 434 S CB -0.977 62.273 63.200 0.083 0.000 0.876 434 S HN 0.412 nan 8.310 nan 0.000 0.448 435 D N 1.290 121.735 120.400 0.076 0.000 2.092 435 D HA -0.088 4.552 4.640 -0.000 0.000 0.193 435 D C 2.096 178.445 176.300 0.081 0.000 0.994 435 D CA 1.657 55.693 54.000 0.060 0.000 0.828 435 D CB -0.287 40.519 40.800 0.009 0.000 0.963 435 D HN 0.377 nan 8.370 nan 0.000 0.450 436 M N -0.411 119.242 119.600 0.087 0.000 2.144 436 M HA -0.174 4.306 4.480 -0.000 0.000 0.260 436 M C 2.157 178.596 176.300 0.232 0.000 1.067 436 M CA 0.881 56.261 55.300 0.134 0.000 1.095 436 M CB -0.171 32.517 32.600 0.145 0.000 1.365 436 M HN 0.050 nan 8.290 nan 0.000 0.406 437 V N 0.196 120.261 119.914 0.252 0.000 2.358 437 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 437 V C 2.332 178.525 176.094 0.165 0.000 1.047 437 V CA 1.216 63.632 62.300 0.194 0.000 1.035 437 V CB -0.528 31.404 31.823 0.181 0.000 0.658 437 V HN 0.370 nan 8.190 nan 0.000 0.452 438 L N -0.285 121.023 121.223 0.141 0.000 2.049 438 L HA -0.017 4.323 4.340 -0.000 0.000 0.203 438 L C 2.347 179.272 176.870 0.091 0.000 1.074 438 L CA 1.917 56.826 54.840 0.115 0.000 0.749 438 L CB -1.252 40.867 42.059 0.100 0.000 0.907 438 L HN 0.328 nan 8.230 nan 0.000 0.439 439 K N -0.374 120.073 120.400 0.078 0.000 2.067 439 K HA -0.045 4.275 4.320 -0.000 0.000 0.203 439 K C 1.419 178.047 176.600 0.048 0.000 1.048 439 K CA 0.908 57.228 56.287 0.055 0.000 0.954 439 K CB 0.048 32.572 32.500 0.040 0.000 0.737 439 K HN 0.243 nan 8.250 nan 0.000 0.444 440 D N -0.305 120.126 120.400 0.053 0.000 2.355 440 D HA 0.013 4.653 4.640 -0.000 0.000 0.218 440 D C 0.967 177.300 176.300 0.056 0.000 1.004 440 D CA 0.875 54.898 54.000 0.038 0.000 0.880 440 D CB 0.680 41.486 40.800 0.010 0.000 0.911 440 D HN 0.460 nan 8.370 nan 0.000 0.528 441 G N 1.485 110.335 108.800 0.083 0.000 2.143 441 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.249 441 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.249 441 G C 0.119 175.074 174.900 0.091 0.000 0.981 441 G CA -0.226 44.915 45.100 0.068 0.000 0.665 441 G HN 0.318 nan 8.290 nan 0.000 0.528 442 F N 2.158 122.077 119.950 -0.051 0.000 2.541 442 F HA 0.500 5.027 4.527 -0.000 0.000 0.378 442 F C 0.720 176.417 175.800 -0.171 0.000 1.068 442 F CA -0.590 57.370 58.000 -0.066 0.000 1.199 442 F CB 0.484 39.490 39.000 0.010 0.000 1.091 442 F HN 0.248 nan 8.300 nan 0.000 0.555 443 Q N 7.801 127.415 119.800 -0.310 0.000 2.842 443 Q HA 0.271 4.611 4.340 -0.000 0.000 0.323 443 Q C -2.345 173.190 176.000 -0.776 0.000 1.111 443 Q CA -1.995 53.194 55.803 -1.023 0.000 1.047 443 Q CB 0.455 28.558 28.738 -1.058 0.000 1.280 443 Q HN 0.460 nan 8.270 nan 0.000 0.475 444 P HA -0.086 nan 4.420 nan 0.000 0.255 444 P C 0.246 177.512 177.300 -0.057 0.000 1.161 444 P CA 0.701 63.575 63.100 -0.378 0.000 0.768 444 P CB 0.830 32.273 31.700 -0.429 0.000 0.746 445 S N 2.739 118.457 115.700 0.030 0.000 2.447 445 S HA -0.059 4.411 4.470 -0.000 0.000 0.233 445 S C 0.759 175.413 174.600 0.089 0.000 1.006 445 S CA 1.054 59.297 58.200 0.072 0.000 0.957 445 S CB -0.136 63.095 63.200 0.052 0.000 0.773 445 S HN 0.430 nan 8.310 nan 0.000 0.507 446 R N 1.154 121.715 120.500 0.100 0.000 2.686 446 R HA 0.358 4.698 4.340 -0.000 0.000 0.283 446 R C -0.480 175.838 176.300 0.030 0.000 0.978 446 R CA -0.382 55.781 56.100 0.105 0.000 0.897 446 R CB 1.807 32.280 30.300 0.288 0.000 1.192 446 R HN 0.210 nan 8.270 nan 0.000 0.457 447 S N 2.449 118.069 115.700 -0.133 0.000 2.573 447 S HA 0.290 4.760 4.470 -0.000 0.000 0.277 447 S C 0.459 174.987 174.600 -0.120 0.000 1.346 447 S CA -0.353 57.732 58.200 -0.191 0.000 1.034 447 S CB 0.496 63.424 63.200 -0.453 0.000 0.879 447 S HN 0.411 nan 8.310 nan 0.000 0.528 448 I N 1.757 122.288 120.570 -0.064 0.000 2.493 448 I HA 0.519 4.689 4.170 -0.000 0.000 0.298 448 I C -0.329 175.722 176.117 -0.110 0.000 0.998 448 I CA -0.742 60.442 61.300 -0.193 0.000 1.137 448 I CB 1.677 39.451 38.000 -0.376 0.000 1.310 448 I HN 0.670 nan 8.210 nan 0.000 0.445 449 I N 5.905 126.358 120.570 -0.195 0.000 2.517 449 I HA 0.391 4.561 4.170 -0.000 0.000 0.280 449 I C -1.259 174.703 176.117 -0.259 0.000 1.061 449 I CA -0.367 60.915 61.300 -0.031 0.000 1.091 449 I CB 0.606 38.765 38.000 0.266 0.000 1.205 449 I HN 0.313 nan 8.210 nan 0.000 0.459 450 F N 6.356 126.180 119.950 -0.210 0.000 2.389 450 F HA 0.686 5.213 4.527 0.000 0.000 0.337 450 F C 0.752 176.274 175.800 -0.463 0.000 1.112 450 F CA -0.372 57.439 58.000 -0.315 0.000 1.192 450 F CB 1.257 40.011 39.000 -0.410 0.000 1.185 450 F HN 0.484 nan 8.300 nan 0.000 0.552 451 A N 1.400 123.958 122.820 -0.437 0.000 2.437 451 A HA 0.545 4.865 4.320 -0.000 0.000 0.293 451 A C -0.885 175.997 177.584 -1.170 0.000 1.038 451 A CA -0.615 50.729 52.037 -1.156 0.000 0.708 451 A CB 1.380 19.215 19.000 -1.941 0.000 1.251 451 A HN 0.569 nan 8.150 nan 0.000 0.409 452 S N 2.726 117.841 115.700 -0.976 0.000 2.488 452 S HA 0.506 4.976 4.470 -0.000 0.000 0.310 452 S C -0.336 173.872 174.600 -0.653 0.000 1.093 452 S CA -0.460 57.345 58.200 -0.659 0.000 1.129 452 S CB -0.377 62.599 63.200 -0.374 0.000 0.989 452 S HN 0.506 nan 8.310 nan 0.000 0.479 453 W N 2.701 123.909 121.300 -0.154 0.000 1.992 453 W HA 0.537 5.197 4.660 0.000 0.000 0.360 453 W C 1.091 177.595 176.519 -0.024 0.000 1.369 453 W CA -0.412 56.880 57.345 -0.089 0.000 1.403 453 W CB 0.190 29.645 29.460 -0.009 0.000 1.215 453 W HN 0.502 nan 8.180 nan 0.000 0.643 454 S N -0.749 115.122 115.700 0.285 0.000 2.685 454 S HA 0.523 4.993 4.470 -0.000 0.000 0.282 454 S C -0.007 174.727 174.600 0.222 0.000 1.159 454 S CA -0.119 58.197 58.200 0.192 0.000 0.833 454 S CB 1.013 64.284 63.200 0.119 0.000 1.151 454 S HN 1.568 nan 8.310 nan 0.000 0.485 455 A N -0.087 122.862 122.820 0.215 0.000 2.798 455 A HA -0.162 4.158 4.320 -0.000 0.000 0.282 455 A C 1.406 179.214 177.584 0.374 0.000 1.464 455 A CA 1.835 54.033 52.037 0.269 0.000 0.844 455 A CB -2.292 16.786 19.000 0.130 0.000 1.006 455 A HN 1.623 nan 8.150 nan 0.000 0.577 456 G N -1.034 107.961 108.800 0.324 0.000 2.448 456 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.218 456 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.218 456 G C 0.959 176.031 174.900 0.287 0.000 1.135 456 G CA 1.104 46.375 45.100 0.284 0.000 0.784 456 G HN 0.611 nan 8.290 nan 0.000 0.543 457 D N -0.036 120.544 120.400 0.300 0.000 2.378 457 D HA -0.016 4.624 4.640 -0.000 0.000 0.222 457 D C 0.631 176.827 176.300 -0.174 0.000 0.980 457 D CA 0.476 54.547 54.000 0.119 0.000 0.907 457 D CB -0.014 40.867 40.800 0.134 0.000 0.899 457 D HN 0.379 nan 8.370 nan 0.000 0.527 458 F N -0.662 119.338 119.950 0.084 0.000 2.708 458 F HA 0.342 4.869 4.527 -0.000 0.000 0.300 458 F C 1.430 177.322 175.800 0.154 0.000 1.118 458 F CA -0.275 57.659 58.000 -0.110 0.000 1.307 458 F CB 0.834 39.933 39.000 0.165 0.000 0.986 458 F HN -0.126 nan 8.300 nan 0.000 0.522 459 G N -0.473 108.655 108.800 0.547 0.000 2.237 459 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.153 459 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.153 459 G C 0.638 175.697 174.900 0.264 0.000 1.039 459 G CA -0.222 45.198 45.100 0.534 0.000 0.719 459 G HN 0.180 nan 8.290 nan 0.000 0.491 460 S N -2.605 113.230 115.700 0.225 0.000 3.476 460 S HA -0.335 4.135 4.470 -0.000 0.000 0.309 460 S C 2.137 176.790 174.600 0.088 0.000 1.222 460 S CA 1.347 59.621 58.200 0.124 0.000 0.922 460 S CB -1.759 61.474 63.200 0.055 0.000 1.023 460 S HN 1.547 nan 8.310 nan 0.000 0.591 461 V N 0.566 120.574 119.914 0.157 0.000 2.418 461 V HA -0.345 3.775 4.120 -0.000 0.000 0.258 461 V C 2.639 178.758 176.094 0.041 0.000 1.088 461 V CA 2.603 64.962 62.300 0.097 0.000 1.091 461 V CB -1.514 30.397 31.823 0.147 0.000 0.669 461 V HN 0.768 nan 8.190 nan 0.000 0.461 462 G N -0.737 108.131 108.800 0.113 0.000 2.424 462 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.214 462 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.214 462 G C 1.759 176.750 174.900 0.152 0.000 1.202 462 G CA 0.937 46.144 45.100 0.178 0.000 0.793 462 G HN 0.638 nan 8.290 nan 0.000 0.534 463 A N 0.274 123.046 122.820 -0.080 0.000 1.902 463 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 463 A C 2.535 179.914 177.584 -0.343 0.000 1.181 463 A CA 2.513 54.096 52.037 -0.756 0.000 0.623 463 A CB -0.996 17.037 19.000 -1.612 0.000 0.818 463 A HN 0.324 nan 8.150 nan 0.000 0.443 464 T N 0.366 114.791 114.554 -0.215 0.000 2.622 464 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 464 T C 1.658 176.259 174.700 -0.166 0.000 1.047 464 T CA 1.449 63.431 62.100 -0.196 0.000 1.159 464 T CB -0.335 68.437 68.868 -0.160 0.000 0.863 464 T HN 0.495 nan 8.240 nan 0.000 0.422 465 E N -0.074 120.030 120.200 -0.160 0.000 2.333 465 E HA -0.119 4.231 4.350 -0.000 0.000 0.198 465 E C 1.684 178.255 176.600 -0.048 0.000 1.007 465 E CA 0.536 56.808 56.400 -0.213 0.000 0.845 465 E CB -0.208 29.244 29.700 -0.414 0.000 0.766 465 E HN 0.682 nan 8.360 nan 0.000 0.507 466 W N 1.450 122.707 121.300 -0.072 0.000 2.408 466 W HA -0.084 4.576 4.660 0.000 0.000 0.311 466 W C 1.924 178.532 176.519 0.148 0.000 1.190 466 W CA 1.017 58.492 57.345 0.216 0.000 1.321 466 W CB -0.554 29.153 29.460 0.413 0.000 1.143 466 W HN -0.064 nan 8.180 nan 0.000 0.501 467 L N 0.632 121.886 121.223 0.051 0.000 2.013 467 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 467 L C 2.398 179.287 176.870 0.032 0.000 1.073 467 L CA 2.056 56.802 54.840 -0.156 0.000 0.753 467 L CB -1.297 40.651 42.059 -0.184 0.000 0.890 467 L HN 0.041 nan 8.230 nan 0.000 0.432 468 E N 0.116 120.343 120.200 0.046 0.000 2.253 468 E HA -0.248 4.102 4.350 -0.000 0.000 0.202 468 E C 2.137 178.750 176.600 0.021 0.000 1.014 468 E CA 1.038 57.477 56.400 0.065 0.000 0.823 468 E CB -0.291 29.342 29.700 -0.112 0.000 0.736 468 E HN 0.632 nan 8.360 nan 0.000 0.478 469 G N -0.403 108.373 108.800 -0.039 0.000 2.422 469 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 469 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 469 G C 0.445 175.131 174.900 -0.356 0.000 1.140 469 G CA 0.392 45.391 45.100 -0.169 0.000 0.775 469 G HN 0.207 nan 8.290 nan 0.000 0.545 470 Y N -0.005 120.114 120.300 -0.303 0.000 2.631 470 Y HA 0.378 4.928 4.550 0.000 0.000 0.361 470 Y C 1.331 177.077 175.900 -0.257 0.000 0.941 470 Y CA -1.221 56.694 58.100 -0.310 0.000 1.327 470 Y CB 0.596 38.794 38.460 -0.437 0.000 1.299 470 Y HN 0.020 nan 8.280 nan 0.000 0.578 471 L N 0.918 122.092 121.223 -0.080 0.000 2.270 471 L HA -0.231 4.109 4.340 -0.000 0.000 0.217 471 L C 1.428 178.224 176.870 -0.124 0.000 1.107 471 L CA 2.308 57.084 54.840 -0.107 0.000 0.772 471 L CB -0.188 41.847 42.059 -0.040 0.000 0.902 471 L HN 0.391 nan 8.230 nan 0.000 0.439 472 S N -4.089 111.538 115.700 -0.122 0.000 3.073 472 S HA 0.277 4.747 4.470 -0.000 0.000 0.252 472 S C 0.687 175.124 174.600 -0.270 0.000 0.953 472 S CA 0.033 58.154 58.200 -0.132 0.000 1.105 472 S CB -0.238 62.923 63.200 -0.064 0.000 1.070 472 S HN 0.416 nan 8.310 nan 0.000 0.574 473 S N -0.054 115.449 115.700 -0.329 0.000 2.617 473 S HA 0.189 4.659 4.470 -0.000 0.000 0.278 473 S C 1.138 175.453 174.600 -0.476 0.000 1.082 473 S CA 0.210 58.146 58.200 -0.440 0.000 1.228 473 S CB -0.487 62.602 63.200 -0.186 0.000 1.130 473 S HN 0.264 nan 8.310 nan 0.000 0.621 474 L N 4.604 125.623 121.223 -0.340 0.000 2.043 474 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 474 L C 2.605 179.319 176.870 -0.260 0.000 1.075 474 L CA 2.668 57.301 54.840 -0.345 0.000 0.752 474 L CB -1.112 40.741 42.059 -0.342 0.000 0.891 474 L HN 0.696 nan 8.230 nan 0.000 0.432 475 H N -1.497 117.450 119.070 -0.206 0.000 2.489 475 H HA -0.126 4.430 4.556 -0.000 0.000 0.293 475 H C 1.972 177.240 175.328 -0.099 0.000 1.066 475 H CA 1.414 57.381 56.048 -0.135 0.000 1.305 475 H CB -0.553 29.064 29.762 -0.242 0.000 1.386 475 H HN 0.458 nan 8.280 nan 0.000 0.551 476 L N 0.139 121.038 121.223 -0.540 0.000 2.478 476 L HA -0.016 4.324 4.340 -0.000 0.000 0.223 476 L C 2.018 178.885 176.870 -0.004 0.000 1.140 476 L CA 0.774 55.472 54.840 -0.236 0.000 0.842 476 L CB 0.125 41.992 42.059 -0.319 0.000 0.953 476 L HN 0.202 nan 8.230 nan 0.000 0.452 477 K N -0.561 119.832 120.400 -0.011 0.000 2.309 477 K HA 0.303 4.623 4.320 -0.000 0.000 0.210 477 K C 0.634 177.389 176.600 0.257 0.000 1.114 477 K CA 0.297 56.678 56.287 0.157 0.000 0.912 477 K CB 0.249 32.740 32.500 -0.015 0.000 1.198 477 K HN 0.042 nan 8.250 nan 0.000 0.471 478 A N 1.693 124.603 122.820 0.150 0.000 2.276 478 A HA 0.353 4.673 4.320 -0.000 0.000 0.300 478 A C 0.190 177.886 177.584 0.186 0.000 1.235 478 A CA -0.399 51.749 52.037 0.184 0.000 0.867 478 A CB -0.282 18.873 19.000 0.259 0.000 1.137 478 A HN 0.440 nan 8.150 nan 0.000 0.527 479 F N 0.580 120.616 119.950 0.143 0.000 2.695 479 F HA 0.464 4.991 4.527 -0.000 0.000 0.303 479 F C 0.127 176.007 175.800 0.133 0.000 1.091 479 F CA -0.255 57.800 58.000 0.092 0.000 1.300 479 F CB -0.031 38.966 39.000 -0.004 0.000 1.071 479 F HN 0.287 nan 8.300 nan 0.000 0.578 480 T N -0.005 114.525 114.554 -0.040 0.000 3.225 480 T HA 0.210 4.560 4.350 -0.000 0.000 0.356 480 T C -2.483 172.229 174.700 0.020 0.000 1.460 480 T CA -0.490 61.637 62.100 0.046 0.000 1.126 480 T CB 1.395 70.293 68.868 0.050 0.000 1.321 480 T HN 0.135 nan 8.240 nan 0.000 0.478 481 Y N 4.122 124.374 120.300 -0.078 0.000 2.326 481 Y HA 0.728 5.278 4.550 0.000 0.000 0.331 481 Y C -0.852 174.932 175.900 -0.192 0.000 0.962 481 Y CA -1.164 56.791 58.100 -0.240 0.000 1.167 481 Y CB 0.438 38.558 38.460 -0.566 0.000 1.148 481 Y HN 0.616 nan 8.280 nan 0.000 0.463 482 I N 5.419 125.560 120.570 -0.716 0.000 2.797 482 I HA 0.323 4.493 4.170 -0.000 0.000 0.310 482 I C -0.351 175.184 176.117 -0.969 0.000 0.990 482 I CA -0.913 60.062 61.300 -0.541 0.000 1.228 482 I CB 1.454 39.334 38.000 -0.202 0.000 1.406 482 I HN 0.630 nan 8.210 nan 0.000 0.534 483 N N 3.757 122.084 118.700 -0.622 0.000 2.478 483 N HA 0.291 5.031 4.740 -0.000 0.000 0.291 483 N C -0.497 174.751 175.510 -0.436 0.000 1.090 483 N CA -0.399 52.346 53.050 -0.509 0.000 0.911 483 N CB 1.925 40.209 38.487 -0.339 0.000 1.546 483 N HN 0.536 nan 8.380 nan 0.000 0.500 484 L N 0.801 121.851 121.223 -0.289 0.000 2.607 484 L HA 0.233 4.573 4.340 -0.000 0.000 0.228 484 L C 0.145 176.911 176.870 -0.173 0.000 1.123 484 L CA -0.171 54.509 54.840 -0.267 0.000 0.890 484 L CB -0.152 41.827 42.059 -0.133 0.000 1.103 484 L HN 0.369 nan 8.230 nan 0.000 0.468 485 D N 2.147 122.476 120.400 -0.118 0.000 2.506 485 D HA -0.054 4.586 4.640 -0.000 0.000 0.234 485 D C 0.559 176.813 176.300 -0.076 0.000 1.143 485 D CA 0.427 54.395 54.000 -0.052 0.000 0.871 485 D CB 0.471 41.270 40.800 -0.001 0.000 1.190 485 D HN 0.038 nan 8.370 nan 0.000 0.459 486 K N 0.523 120.899 120.400 -0.040 0.000 3.213 486 K HA -0.277 4.043 4.320 -0.000 0.000 0.266 486 K C 0.865 177.452 176.600 -0.022 0.000 0.911 486 K CA 0.347 56.610 56.287 -0.040 0.000 0.684 486 K CB -1.032 31.445 32.500 -0.037 0.000 1.402 486 K HN 0.509 nan 8.250 nan 0.000 0.465 487 A N 0.051 122.872 122.820 0.001 0.000 1.930 487 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 487 A C 0.911 178.646 177.584 0.251 0.000 1.175 487 A CA 1.093 53.199 52.037 0.115 0.000 0.627 487 A CB 0.517 19.617 19.000 0.167 0.000 0.815 487 A HN 0.138 nan 8.150 nan 0.000 0.443 488 V N 0.292 120.299 119.914 0.155 0.000 2.378 488 V HA 0.435 4.555 4.120 -0.000 0.000 0.288 488 V C -0.113 176.019 176.094 0.063 0.000 1.016 488 V CA -0.195 62.201 62.300 0.159 0.000 0.840 488 V CB 1.337 33.220 31.823 0.100 0.000 0.994 488 V HN 0.306 nan 8.190 nan 0.000 0.431 489 L N 3.987 125.274 121.223 0.107 0.000 3.327 489 L HA 0.697 5.037 4.340 -0.000 0.000 0.299 489 L C 0.871 177.843 176.870 0.170 0.000 1.201 489 L CA 0.926 55.812 54.840 0.076 0.000 1.059 489 L CB 0.723 42.819 42.059 0.061 0.000 1.488 489 L HN 0.805 nan 8.230 nan 0.000 0.609 490 G N -1.229 107.670 108.800 0.166 0.000 2.500 490 G HA2 0.455 4.415 3.960 -0.000 0.000 0.299 490 G HA3 0.455 4.415 3.960 -0.000 0.000 0.299 490 G C -0.389 174.602 174.900 0.151 0.000 1.242 490 G CA 0.448 45.639 45.100 0.153 0.000 0.859 490 G HN -0.176 nan 8.290 nan 0.000 0.481 491 T N -2.976 111.683 114.554 0.174 0.000 3.502 491 T HA 0.380 4.730 4.350 -0.000 0.000 0.310 491 T C 1.053 175.967 174.700 0.357 0.000 0.902 491 T CA 0.959 63.200 62.100 0.236 0.000 0.964 491 T CB 0.413 69.385 68.868 0.173 0.000 1.200 491 T HN 0.375 nan 8.240 nan 0.000 0.599 492 S N 1.911 117.776 115.700 0.275 0.000 2.431 492 S HA 0.268 4.738 4.470 -0.000 0.000 0.210 492 S C 0.920 175.695 174.600 0.292 0.000 1.013 492 S CA 0.049 58.399 58.200 0.250 0.000 0.920 492 S CB -0.064 63.220 63.200 0.140 0.000 0.882 492 S HN 0.537 nan 8.310 nan 0.000 0.567 493 N N 0.377 119.211 118.700 0.223 0.000 2.476 493 N HA 0.379 5.119 4.740 -0.000 0.000 0.287 493 N C -1.235 174.420 175.510 0.243 0.000 1.262 493 N CA -0.239 52.928 53.050 0.196 0.000 0.980 493 N CB 0.502 39.053 38.487 0.108 0.000 1.163 493 N HN 0.249 nan 8.380 nan 0.000 0.592 494 F N 0.659 120.584 119.950 -0.042 0.000 2.824 494 F HA 0.244 4.771 4.527 0.000 0.000 0.368 494 F C 0.041 175.768 175.800 -0.121 0.000 1.398 494 F CA -0.728 57.154 58.000 -0.196 0.000 1.142 494 F CB 0.221 39.032 39.000 -0.315 0.000 1.997 494 F HN 0.268 nan 8.300 nan 0.000 0.598 495 K N 2.248 122.461 120.400 -0.313 0.000 2.440 495 K HA 0.507 4.827 4.320 -0.000 0.000 0.270 495 K C -1.279 175.022 176.600 -0.498 0.000 0.980 495 K CA 0.137 56.248 56.287 -0.293 0.000 0.953 495 K CB 0.790 33.181 32.500 -0.181 0.000 0.925 495 K HN 0.308 nan 8.250 nan 0.000 0.497 496 V N 2.408 122.133 119.914 -0.316 0.000 2.752 496 V HA 0.206 4.326 4.120 -0.000 0.000 0.302 496 V C -1.317 174.689 176.094 -0.147 0.000 1.133 496 V CA -0.837 61.308 62.300 -0.259 0.000 0.919 496 V CB 2.208 33.910 31.823 -0.202 0.000 1.026 496 V HN 0.849 nan 8.190 nan 0.000 0.429 497 S N 2.939 118.560 115.700 -0.132 0.000 2.502 497 S HA 0.983 5.453 4.470 -0.000 0.000 0.304 497 S C -0.170 174.357 174.600 -0.122 0.000 1.097 497 S CA -0.101 58.017 58.200 -0.137 0.000 1.045 497 S CB 1.972 65.084 63.200 -0.147 0.000 1.019 497 S HN 1.362 nan 8.310 nan 0.000 0.481 498 A N 1.507 124.230 122.820 -0.161 0.000 2.511 498 A HA 0.802 5.122 4.320 -0.000 0.000 0.293 498 A C -0.661 176.773 177.584 -0.249 0.000 1.098 498 A CA -0.714 51.231 52.037 -0.153 0.000 0.643 498 A CB 0.666 19.615 19.000 -0.086 0.000 1.302 498 A HN 0.711 nan 8.150 nan 0.000 0.446 499 S N 0.898 116.489 115.700 -0.182 0.000 2.545 499 S HA 0.476 4.946 4.470 -0.000 0.000 0.275 499 S C -1.082 173.464 174.600 -0.090 0.000 1.299 499 S CA -0.920 57.176 58.200 -0.174 0.000 1.048 499 S CB 0.723 63.940 63.200 0.028 0.000 0.938 499 S HN 0.463 nan 8.310 nan 0.000 0.496 500 P HA -0.169 nan 4.420 nan 0.000 0.219 500 P C 1.352 178.642 177.300 -0.016 0.000 1.145 500 P CA 1.165 64.190 63.100 -0.125 0.000 0.813 500 P CB -0.048 31.458 31.700 -0.323 0.000 0.771 501 L N -1.633 119.626 121.223 0.061 0.000 2.362 501 L HA -0.060 4.280 4.340 -0.000 0.000 0.219 501 L C 2.169 179.069 176.870 0.050 0.000 1.134 501 L CA 0.965 55.878 54.840 0.123 0.000 0.807 501 L CB -0.486 41.713 42.059 0.235 0.000 0.927 501 L HN -0.004 nan 8.230 nan 0.000 0.447 502 L N -2.418 118.807 121.223 0.004 0.000 2.857 502 L HA 0.015 4.355 4.340 -0.000 0.000 0.249 502 L C 1.801 178.601 176.870 -0.117 0.000 1.172 502 L CA -0.305 54.479 54.840 -0.094 0.000 0.980 502 L CB -0.141 41.825 42.059 -0.154 0.000 1.299 502 L HN 0.070 nan 8.230 nan 0.000 0.535 503 Y N 1.392 121.610 120.300 -0.137 0.000 2.097 503 Y HA -0.310 4.240 4.550 0.000 0.000 0.282 503 Y C 2.446 178.269 175.900 -0.128 0.000 1.152 503 Y CA 2.319 60.343 58.100 -0.127 0.000 1.136 503 Y CB -0.287 38.105 38.460 -0.112 0.000 0.975 503 Y HN 0.081 nan 8.280 nan 0.000 0.498 504 T N 1.024 115.444 114.554 -0.224 0.000 2.962 504 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 504 T C 1.748 176.262 174.700 -0.310 0.000 1.088 504 T CA 1.219 63.144 62.100 -0.292 0.000 1.127 504 T CB -0.455 68.334 68.868 -0.131 0.000 0.883 504 T HN 0.287 nan 8.240 nan 0.000 0.493 505 L N 1.015 122.062 121.223 -0.293 0.000 2.044 505 L HA 0.181 4.521 4.340 -0.000 0.000 0.205 505 L C 2.064 178.763 176.870 -0.284 0.000 1.075 505 L CA 1.396 56.051 54.840 -0.308 0.000 0.747 505 L CB -0.566 41.250 42.059 -0.405 0.000 0.903 505 L HN 0.220 nan 8.230 nan 0.000 0.435 506 I N -0.347 120.026 120.570 -0.328 0.000 2.163 506 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 506 I C 2.496 178.532 176.117 -0.134 0.000 1.085 506 I CA 1.727 62.962 61.300 -0.108 0.000 1.347 506 I CB -0.475 37.459 38.000 -0.109 0.000 1.044 506 I HN 0.455 nan 8.210 nan 0.000 0.408 507 E N 1.503 121.469 120.200 -0.389 0.000 1.997 507 E HA -0.297 4.053 4.350 -0.000 0.000 0.201 507 E C 2.095 178.449 176.600 -0.410 0.000 1.011 507 E CA 1.668 57.768 56.400 -0.500 0.000 0.847 507 E CB 0.036 29.332 29.700 -0.673 0.000 0.787 507 E HN 0.115 nan 8.360 nan 0.000 0.472 508 K N -0.078 120.120 120.400 -0.337 0.000 2.228 508 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 508 K C 1.988 178.522 176.600 -0.110 0.000 1.045 508 K CA 1.708 57.854 56.287 -0.236 0.000 0.931 508 K CB -0.552 31.821 32.500 -0.212 0.000 0.727 508 K HN 0.186 nan 8.250 nan 0.000 0.458 509 T N 0.240 114.773 114.554 -0.035 0.000 2.851 509 T HA 0.033 4.383 4.350 -0.000 0.000 0.262 509 T C 1.497 176.244 174.700 0.078 0.000 1.043 509 T CA 0.928 63.093 62.100 0.109 0.000 1.140 509 T CB -0.054 69.006 68.868 0.321 0.000 0.872 509 T HN 0.163 nan 8.240 nan 0.000 0.446 510 M N 1.129 120.749 119.600 0.033 0.000 2.629 510 M HA -0.015 4.465 4.480 -0.000 0.000 0.257 510 M C 1.776 178.148 176.300 0.119 0.000 1.071 510 M CA 1.163 56.487 55.300 0.039 0.000 1.077 510 M CB -0.301 32.361 32.600 0.105 0.000 1.423 510 M HN 0.273 nan 8.290 nan 0.000 0.508 511 Q N -0.613 119.217 119.800 0.050 0.000 2.319 511 Q HA 0.094 4.434 4.340 -0.000 0.000 0.202 511 Q C 1.112 177.237 176.000 0.209 0.000 0.896 511 Q CA 0.195 56.038 55.803 0.067 0.000 0.942 511 Q CB 0.508 29.177 28.738 -0.115 0.000 1.083 511 Q HN 0.526 nan 8.270 nan 0.000 0.510 512 N N -0.690 118.173 118.700 0.271 0.000 2.332 512 N HA 0.076 4.816 4.740 -0.000 0.000 0.190 512 N C -0.329 175.339 175.510 0.263 0.000 1.117 512 N CA 0.300 53.556 53.050 0.343 0.000 0.883 512 N CB 1.495 40.173 38.487 0.320 0.000 1.089 512 N HN -0.085 nan 8.380 nan 0.000 0.480 513 V N 2.660 122.664 119.914 0.151 0.000 2.407 513 V HA 0.245 4.365 4.120 -0.000 0.000 0.278 513 V C 0.164 176.203 176.094 -0.092 0.000 1.037 513 V CA -0.586 61.703 62.300 -0.019 0.000 0.900 513 V CB 1.626 33.386 31.823 -0.106 0.000 0.983 513 V HN -0.055 nan 8.190 nan 0.000 0.459 514 K N 2.946 123.211 120.400 -0.225 0.000 2.183 514 K HA 0.376 4.696 4.320 -0.000 0.000 0.274 514 K C -0.014 176.533 176.600 -0.090 0.000 1.009 514 K CA -0.697 55.420 56.287 -0.285 0.000 0.888 514 K CB 1.136 33.349 32.500 -0.478 0.000 1.078 514 K HN 0.807 nan 8.250 nan 0.000 0.459 515 H N 4.168 123.171 119.070 -0.111 0.000 3.092 515 H HA -0.070 4.486 4.556 0.000 0.000 0.332 515 H C -1.316 173.949 175.328 -0.104 0.000 1.029 515 H CA -0.749 55.279 56.048 -0.033 0.000 1.376 515 H CB 0.951 30.718 29.762 0.009 0.000 1.329 515 H HN 0.433 nan 8.280 nan 0.000 0.598 516 P HA -0.163 nan 4.420 nan 0.000 0.217 516 P C 1.166 178.501 177.300 0.058 0.000 1.151 516 P CA 1.022 64.126 63.100 0.007 0.000 0.828 516 P CB 0.339 31.922 31.700 -0.195 0.000 0.788 517 V N -0.026 119.992 119.914 0.175 0.000 2.283 517 V HA -0.032 4.088 4.120 -0.000 0.000 0.239 517 V C 1.249 177.231 176.094 -0.188 0.000 1.035 517 V CA 1.629 63.883 62.300 -0.075 0.000 1.018 517 V CB -1.675 30.069 31.823 -0.131 0.000 0.658 517 V HN 0.091 nan 8.190 nan 0.000 0.459 518 T N 1.059 115.364 114.554 -0.415 0.000 2.901 518 T HA 0.301 4.651 4.350 -0.000 0.000 0.301 518 T C 1.190 175.812 174.700 -0.130 0.000 1.012 518 T CA 0.474 62.410 62.100 -0.275 0.000 1.135 518 T CB 1.301 69.964 68.868 -0.342 0.000 0.936 518 T HN 0.498 nan 8.240 nan 0.000 0.539 519 G N 2.313 111.055 108.800 -0.097 0.000 2.679 519 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.212 519 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.212 519 G C 0.531 175.366 174.900 -0.109 0.000 1.137 519 G CA 0.218 45.261 45.100 -0.094 0.000 0.787 519 G HN 0.641 nan 8.290 nan 0.000 0.534 520 Q N -0.668 119.102 119.800 -0.050 0.000 2.317 520 Q HA 0.408 4.748 4.340 -0.000 0.000 0.229 520 Q C -0.622 175.391 176.000 0.021 0.000 0.984 520 Q CA -0.762 55.060 55.803 0.032 0.000 0.911 520 Q CB 0.942 29.735 28.738 0.093 0.000 1.217 520 Q HN 0.234 nan 8.270 nan 0.000 0.501 521 F N 0.478 120.454 119.950 0.043 0.000 2.444 521 F HA -0.007 4.520 4.527 -0.000 0.000 0.331 521 F C 1.438 177.270 175.800 0.052 0.000 1.167 521 F CA -0.041 57.987 58.000 0.047 0.000 1.262 521 F CB 0.220 39.259 39.000 0.065 0.000 1.196 521 F HN 0.461 nan 8.300 nan 0.000 0.583 522 L N 0.713 122.044 121.223 0.181 0.000 2.083 522 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 522 L C 0.536 177.505 176.870 0.164 0.000 1.083 522 L CA 0.844 55.708 54.840 0.039 0.000 0.752 522 L CB -0.428 41.455 42.059 -0.292 0.000 0.899 522 L HN 0.471 nan 8.230 nan 0.000 0.433 523 Y N 2.188 122.535 120.300 0.078 0.000 2.496 523 Y HA 0.023 4.573 4.550 -0.000 0.000 0.334 523 Y C 0.487 176.423 175.900 0.061 0.000 1.080 523 Y CA -0.755 57.381 58.100 0.059 0.000 1.355 523 Y CB -0.010 38.468 38.460 0.029 0.000 1.193 523 Y HN 0.097 nan 8.280 nan 0.000 0.523 524 Q N 5.919 125.473 119.800 -0.410 0.000 2.381 524 Q HA -0.062 4.278 4.340 -0.000 0.000 0.243 524 Q C 0.770 176.389 176.000 -0.634 0.000 1.154 524 Q CA -0.054 55.523 55.803 -0.378 0.000 0.899 524 Q CB 0.348 28.950 28.738 -0.227 0.000 1.396 524 Q HN 0.789 nan 8.270 nan 0.000 0.485 525 D N 0.948 121.119 120.400 -0.382 0.000 2.357 525 D HA -0.124 4.516 4.640 -0.000 0.000 0.216 525 D C 1.255 177.461 176.300 -0.158 0.000 0.973 525 D CA 1.085 54.932 54.000 -0.254 0.000 0.912 525 D CB 0.384 41.132 40.800 -0.087 0.000 0.900 525 D HN 0.494 nan 8.370 nan 0.000 0.501 526 S N -0.476 115.134 115.700 -0.150 0.000 2.603 526 S HA 0.023 4.493 4.470 -0.000 0.000 0.220 526 S C 0.699 175.277 174.600 -0.038 0.000 0.967 526 S CA -0.306 57.855 58.200 -0.064 0.000 0.920 526 S CB 0.272 63.444 63.200 -0.047 0.000 0.773 526 S HN 0.067 nan 8.310 nan 0.000 0.529 527 N N 0.709 119.349 118.700 -0.100 0.000 2.545 527 N HA 0.393 5.133 4.740 -0.000 0.000 0.289 527 N C 0.090 175.662 175.510 0.105 0.000 1.279 527 N CA -0.576 52.449 53.050 -0.041 0.000 0.824 527 N CB 0.810 39.207 38.487 -0.149 0.000 1.395 527 N HN 0.558 nan 8.380 nan 0.000 0.526 528 W N -1.618 119.736 121.300 0.090 0.000 2.592 528 W HA 0.552 5.212 4.660 -0.000 0.000 0.306 528 W C -0.945 175.688 176.519 0.191 0.000 0.991 528 W CA -0.340 57.094 57.345 0.148 0.000 1.430 528 W CB 0.323 29.838 29.460 0.093 0.000 1.017 528 W HN 0.399 nan 8.180 nan 0.000 0.557 529 A N 2.550 124.901 122.820 -0.781 0.000 2.409 529 A HA 0.602 4.922 4.320 -0.000 0.000 0.300 529 A C -0.187 177.239 177.584 -0.263 0.000 1.273 529 A CA -0.297 51.289 52.037 -0.752 0.000 0.774 529 A CB 0.607 18.730 19.000 -1.463 0.000 1.144 529 A HN 0.040 nan 8.150 nan 0.000 0.472 530 S N 1.202 116.950 115.700 0.081 0.000 2.624 530 S HA 0.346 4.816 4.470 -0.000 0.000 0.263 530 S C 0.270 174.930 174.600 0.100 0.000 1.287 530 S CA -0.534 57.758 58.200 0.152 0.000 0.990 530 S CB 0.880 64.256 63.200 0.294 0.000 0.950 530 S HN 0.713 nan 8.310 nan 0.000 0.561 531 K N 1.222 121.663 120.400 0.069 0.000 2.234 531 K HA 0.504 4.824 4.320 -0.000 0.000 0.277 531 K C -1.636 174.988 176.600 0.039 0.000 1.038 531 K CA -0.412 55.889 56.287 0.023 0.000 0.888 531 K CB 0.526 33.020 32.500 -0.009 0.000 1.091 531 K HN 0.370 nan 8.250 nan 0.000 0.467 532 V N 3.755 123.678 119.914 0.016 0.000 2.540 532 V HA 0.270 4.390 4.120 -0.000 0.000 0.302 532 V C -0.417 175.626 176.094 -0.085 0.000 1.035 532 V CA -0.895 61.399 62.300 -0.011 0.000 0.873 532 V CB 1.621 33.473 31.823 0.049 0.000 0.992 532 V HN 0.868 nan 8.190 nan 0.000 0.428 533 E N 2.681 122.813 120.200 -0.113 0.000 2.283 533 E HA 0.460 4.810 4.350 -0.000 0.000 0.271 533 E C -0.532 175.951 176.600 -0.196 0.000 1.031 533 E CA -0.753 55.564 56.400 -0.137 0.000 0.868 533 E CB 1.235 30.859 29.700 -0.127 0.000 1.094 533 E HN 0.546 nan 8.360 nan 0.000 0.401 534 K N 1.997 122.278 120.400 -0.200 0.000 2.237 534 K HA 0.202 4.522 4.320 -0.000 0.000 0.270 534 K C -0.540 175.939 176.600 -0.202 0.000 1.015 534 K CA -0.652 55.479 56.287 -0.260 0.000 0.949 534 K CB 0.553 32.952 32.500 -0.169 0.000 0.976 534 K HN 0.303 nan 8.250 nan 0.000 0.472 535 L N 2.807 123.918 121.223 -0.186 0.000 2.380 535 L HA 0.142 4.482 4.340 -0.000 0.000 0.273 535 L C 0.668 177.440 176.870 -0.164 0.000 1.138 535 L CA 0.242 55.031 54.840 -0.086 0.000 0.832 535 L CB 0.327 42.425 42.059 0.065 0.000 1.124 535 L HN 0.809 nan 8.230 nan 0.000 0.454 536 T N -0.120 114.275 114.554 -0.266 0.000 2.928 536 T HA 0.264 4.614 4.350 -0.000 0.000 0.284 536 T C 1.336 175.587 174.700 -0.750 0.000 1.008 536 T CA -0.897 60.917 62.100 -0.476 0.000 1.057 536 T CB 1.752 70.433 68.868 -0.312 0.000 1.018 536 T HN 0.340 nan 8.240 nan 0.000 0.493 537 L N 1.440 122.062 121.223 -1.002 0.000 2.270 537 L HA -0.110 4.230 4.340 -0.000 0.000 0.217 537 L C 1.347 177.957 176.870 -0.433 0.000 1.107 537 L CA 2.031 56.294 54.840 -0.961 0.000 0.772 537 L CB -1.044 40.631 42.059 -0.640 0.000 0.902 537 L HN 0.925 nan 8.230 nan 0.000 0.439 538 D N -1.894 118.318 120.400 -0.312 0.000 2.722 538 D HA -0.012 4.628 4.640 -0.000 0.000 0.239 538 D C 0.105 176.366 176.300 -0.066 0.000 1.249 538 D CA -0.199 53.709 54.000 -0.154 0.000 0.830 538 D CB -0.387 40.334 40.800 -0.132 0.000 1.025 538 D HN 0.377 nan 8.370 nan 0.000 0.486 539 N N -0.124 118.558 118.700 -0.030 0.000 2.480 539 N HA 0.352 5.092 4.740 -0.000 0.000 0.289 539 N C 0.929 176.518 175.510 0.133 0.000 1.073 539 N CA -0.453 52.621 53.050 0.040 0.000 0.885 539 N CB 1.595 40.087 38.487 0.007 0.000 1.421 539 N HN -0.029 nan 8.380 nan 0.000 0.503 540 A N 3.039 125.936 122.820 0.128 0.000 2.023 540 A HA -0.264 4.056 4.320 -0.000 0.000 0.223 540 A C 2.056 179.777 177.584 0.228 0.000 1.180 540 A CA 2.389 54.508 52.037 0.135 0.000 0.659 540 A CB -0.710 18.362 19.000 0.120 0.000 0.817 540 A HN 0.766 nan 8.150 nan 0.000 0.466 541 A N -1.563 121.428 122.820 0.285 0.000 1.968 541 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 541 A C 1.931 179.680 177.584 0.275 0.000 1.169 541 A CA 1.378 53.621 52.037 0.342 0.000 0.638 541 A CB -0.630 18.500 19.000 0.216 0.000 0.812 541 A HN 0.715 nan 8.150 nan 0.000 0.446 542 F N 1.609 121.596 119.950 0.062 0.000 2.065 542 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 542 F C -0.702 175.151 175.800 0.088 0.000 1.112 542 F CA 2.175 60.174 58.000 -0.003 0.000 1.212 542 F CB -1.313 37.609 39.000 -0.131 0.000 0.975 542 F HN 0.157 nan 8.300 nan 0.000 0.476 543 P HA -0.196 nan 4.420 nan 0.000 0.215 543 P C 1.789 179.140 177.300 0.085 0.000 1.157 543 P CA 1.826 64.971 63.100 0.075 0.000 0.868 543 P CB -0.310 31.453 31.700 0.105 0.000 0.788 544 F N -1.159 118.749 119.950 -0.070 0.000 2.154 544 F HA -0.179 4.348 4.527 0.000 0.000 0.301 544 F C 2.127 177.943 175.800 0.026 0.000 1.087 544 F CA 1.353 59.321 58.000 -0.053 0.000 1.274 544 F CB -0.941 37.950 39.000 -0.182 0.000 1.009 544 F HN -0.112 nan 8.300 nan 0.000 0.485 545 L N -0.623 120.701 121.223 0.168 0.000 2.221 545 L HA 0.281 4.621 4.340 -0.000 0.000 0.202 545 L C 2.117 178.976 176.870 -0.020 0.000 1.074 545 L CA 1.689 56.574 54.840 0.075 0.000 0.795 545 L CB -1.007 41.067 42.059 0.025 0.000 0.960 545 L HN -0.065 nan 8.230 nan 0.000 0.458 546 A N -2.038 120.666 122.820 -0.193 0.000 2.123 546 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 546 A C 1.920 179.634 177.584 0.217 0.000 1.152 546 A CA 1.264 53.221 52.037 -0.133 0.000 0.728 546 A CB -0.566 17.892 19.000 -0.902 0.000 0.814 546 A HN 0.650 nan 8.150 nan 0.000 0.464 547 Y N -1.122 119.213 120.300 0.058 0.000 2.664 547 Y HA 0.204 4.754 4.550 -0.000 0.000 0.278 547 Y C 2.043 177.968 175.900 0.042 0.000 1.130 547 Y CA 1.124 59.257 58.100 0.055 0.000 1.260 547 Y CB 0.313 38.767 38.460 -0.011 0.000 1.369 547 Y HN 0.150 nan 8.280 nan 0.000 0.499 548 S N -0.180 115.503 115.700 -0.028 0.000 2.535 548 S HA 0.229 4.699 4.470 -0.000 0.000 0.214 548 S C 1.241 175.923 174.600 0.137 0.000 0.980 548 S CA 0.580 58.724 58.200 -0.093 0.000 0.907 548 S CB -0.015 63.110 63.200 -0.125 0.000 0.790 548 S HN 0.799 nan 8.310 nan 0.000 0.510 549 G N 2.169 111.082 108.800 0.188 0.000 2.221 549 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.265 549 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.265 549 G C -0.169 174.904 174.900 0.287 0.000 1.041 549 G CA -0.172 45.099 45.100 0.284 0.000 0.807 549 G HN 0.415 nan 8.290 nan 0.000 0.502 550 I N 1.364 122.094 120.570 0.267 0.000 2.354 550 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 550 I C -1.806 174.481 176.117 0.282 0.000 0.989 550 I CA -3.134 58.350 61.300 0.306 0.000 1.188 550 I CB 1.297 39.542 38.000 0.408 0.000 1.342 550 I HN -0.066 nan 8.210 nan 0.000 0.457 551 P HA 0.245 nan 4.420 nan 0.000 0.271 551 P C -0.911 176.494 177.300 0.175 0.000 1.216 551 P CA -0.160 63.064 63.100 0.208 0.000 0.771 551 P CB 1.317 33.148 31.700 0.218 0.000 0.864 552 A N 3.385 126.275 122.820 0.116 0.000 2.455 552 A HA 0.555 4.875 4.320 -0.000 0.000 0.300 552 A C -0.940 176.647 177.584 0.004 0.000 1.040 552 A CA -0.760 51.333 52.037 0.093 0.000 0.697 552 A CB 1.811 20.941 19.000 0.217 0.000 1.265 552 A HN 0.417 nan 8.150 nan 0.000 0.407 553 V N 1.333 121.230 119.914 -0.028 0.000 2.966 553 V HA 0.907 5.027 4.120 -0.000 0.000 0.317 553 V C 0.081 176.140 176.094 -0.059 0.000 1.070 553 V CA 0.269 62.563 62.300 -0.010 0.000 1.008 553 V CB 2.147 34.025 31.823 0.091 0.000 1.070 553 V HN 1.481 nan 8.190 nan 0.000 0.457 554 S N 3.755 119.415 115.700 -0.067 0.000 2.441 554 S HA 0.373 4.843 4.470 -0.000 0.000 0.187 554 S C -0.910 173.546 174.600 -0.241 0.000 0.917 554 S CA -0.706 57.359 58.200 -0.224 0.000 1.078 554 S CB -0.108 62.993 63.200 -0.166 0.000 1.379 554 S HN 0.870 nan 8.310 nan 0.000 0.399 555 F N 1.566 121.426 119.950 -0.150 0.000 2.368 555 F HA 0.903 5.430 4.527 0.000 0.000 0.315 555 F C 0.258 175.869 175.800 -0.315 0.000 1.145 555 F CA -1.369 56.423 58.000 -0.346 0.000 1.095 555 F CB 0.317 39.086 39.000 -0.384 0.000 1.286 555 F HN 0.456 nan 8.300 nan 0.000 0.530 556 C N 2.531 121.728 119.300 -0.172 0.000 2.871 556 C HA 0.439 4.899 4.460 -0.000 0.000 0.378 556 C C -0.712 174.237 174.990 -0.069 0.000 1.052 556 C CA -1.104 57.880 59.018 -0.057 0.000 1.250 556 C CB -0.449 27.230 27.740 -0.101 0.000 1.689 556 C HN 0.830 nan 8.230 nan 0.000 0.506 557 F N 4.657 124.710 119.950 0.173 0.000 2.783 557 F HA 0.236 4.763 4.527 0.000 0.000 0.338 557 F C 1.665 177.525 175.800 0.101 0.000 1.178 557 F CA -0.054 58.063 58.000 0.194 0.000 1.343 557 F CB -0.285 38.802 39.000 0.145 0.000 1.496 557 F HN 0.675 nan 8.300 nan 0.000 0.583 558 C N 0.739 120.134 119.300 0.157 0.000 2.883 558 C HA 0.023 4.483 4.460 -0.000 0.000 0.347 558 C C 0.738 175.798 174.990 0.117 0.000 1.361 558 C CA -0.068 59.010 59.018 0.099 0.000 2.102 558 C CB 0.099 27.847 27.740 0.014 0.000 2.496 558 C HN 0.438 nan 8.230 nan 0.000 0.758 559 E N -0.190 120.055 120.200 0.075 0.000 2.393 559 E HA 0.204 4.554 4.350 -0.000 0.000 0.273 559 E C 0.053 176.665 176.600 0.020 0.000 0.918 559 E CA -0.433 56.004 56.400 0.062 0.000 0.773 559 E CB 1.177 30.911 29.700 0.057 0.000 1.275 559 E HN 0.512 nan 8.360 nan 0.000 0.451 560 D N -0.009 120.399 120.400 0.013 0.000 2.190 560 D HA -0.083 4.557 4.640 -0.000 0.000 0.200 560 D C -0.022 176.255 176.300 -0.038 0.000 0.992 560 D CA 1.483 55.478 54.000 -0.008 0.000 0.854 560 D CB 0.208 41.006 40.800 -0.003 0.000 0.936 560 D HN 0.128 nan 8.370 nan 0.000 0.462 561 T N 0.918 115.441 114.554 -0.051 0.000 2.797 561 T HA 0.315 4.665 4.350 -0.000 0.000 0.279 561 T C -0.855 173.787 174.700 -0.097 0.000 0.991 561 T CA -1.041 60.995 62.100 -0.107 0.000 0.979 561 T CB 1.520 70.306 68.868 -0.136 0.000 0.943 561 T HN 0.009 nan 8.240 nan 0.000 0.444 562 D N 1.077 121.398 120.400 -0.132 0.000 2.414 562 D HA 0.053 4.693 4.640 -0.000 0.000 0.242 562 D C -0.166 176.129 176.300 -0.009 0.000 1.129 562 D CA -0.491 53.480 54.000 -0.049 0.000 0.885 562 D CB 0.204 40.977 40.800 -0.044 0.000 1.198 562 D HN 0.462 nan 8.370 nan 0.000 0.437 563 Y N 2.644 122.912 120.300 -0.054 0.000 2.895 563 Y HA -0.035 4.515 4.550 -0.000 0.000 0.334 563 Y C -1.084 174.823 175.900 0.013 0.000 1.261 563 Y CA -0.802 57.261 58.100 -0.061 0.000 1.560 563 Y CB 0.653 39.104 38.460 -0.015 0.000 1.253 563 Y HN 0.401 nan 8.280 nan 0.000 0.582 564 P HA -0.171 nan 4.420 nan 0.000 0.215 564 P C 0.945 178.423 177.300 0.295 0.000 1.160 564 P CA 1.678 64.876 63.100 0.164 0.000 0.869 564 P CB -0.074 31.620 31.700 -0.011 0.000 0.782 565 Y N -0.709 119.653 120.300 0.103 0.000 2.651 565 Y HA -0.123 4.427 4.550 -0.000 0.000 0.296 565 Y C 2.500 178.626 175.900 0.376 0.000 1.150 565 Y CA -0.924 57.314 58.100 0.230 0.000 1.348 565 Y CB -0.819 37.776 38.460 0.226 0.000 0.983 565 Y HN -0.141 nan 8.280 nan 0.000 0.555 566 L N 0.746 122.330 121.223 0.602 0.000 2.012 566 L HA -0.263 4.077 4.340 -0.000 0.000 0.236 566 L C 2.334 179.410 176.870 0.345 0.000 1.099 566 L CA 2.400 57.495 54.840 0.425 0.000 0.821 566 L CB -1.168 41.094 42.059 0.339 0.000 0.918 566 L HN 0.232 nan 8.230 nan 0.000 0.445 567 G N -2.378 106.608 108.800 0.310 0.000 3.279 567 G HA2 0.177 4.137 3.960 -0.000 0.000 0.230 567 G HA3 0.177 4.137 3.960 -0.000 0.000 0.230 567 G C 0.352 175.516 174.900 0.439 0.000 1.230 567 G CA 0.690 45.986 45.100 0.326 0.000 0.891 567 G HN 0.413 nan 8.290 nan 0.000 0.518 568 T N -1.749 113.086 114.554 0.468 0.000 2.907 568 T HA 0.381 4.731 4.350 -0.000 0.000 0.290 568 T C 1.803 176.777 174.700 0.457 0.000 1.066 568 T CA 0.390 62.818 62.100 0.548 0.000 1.012 568 T CB 1.345 70.469 68.868 0.426 0.000 1.184 568 T HN 0.081 nan 8.240 nan 0.000 0.522 569 T N 0.755 115.544 114.554 0.391 0.000 3.118 569 T HA -0.038 4.312 4.350 -0.000 0.000 0.269 569 T C 1.524 176.288 174.700 0.108 0.000 1.166 569 T CA 1.025 63.217 62.100 0.153 0.000 1.073 569 T CB -0.461 68.433 68.868 0.043 0.000 0.884 569 T HN 0.539 nan 8.240 nan 0.000 0.550 570 M N 0.884 120.563 119.600 0.131 0.000 2.428 570 M HA 0.175 4.655 4.480 -0.000 0.000 0.239 570 M C 0.816 177.200 176.300 0.141 0.000 1.121 570 M CA 0.108 55.400 55.300 -0.013 0.000 1.019 570 M CB 0.237 32.657 32.600 -0.300 0.000 1.485 570 M HN -0.043 nan 8.290 nan 0.000 0.484 571 D N 2.134 122.707 120.400 0.288 0.000 2.924 571 D HA -0.022 4.618 4.640 -0.000 0.000 0.239 571 D C -0.123 176.333 176.300 0.260 0.000 1.198 571 D CA 0.215 54.435 54.000 0.367 0.000 0.958 571 D CB -0.194 40.791 40.800 0.309 0.000 1.169 571 D HN 0.309 nan 8.370 nan 0.000 0.438 572 T N -2.612 112.077 114.554 0.225 0.000 2.904 572 T HA 0.036 4.386 4.350 -0.000 0.000 0.290 572 T C 1.251 176.084 174.700 0.222 0.000 1.018 572 T CA -0.766 61.447 62.100 0.190 0.000 1.075 572 T CB 0.983 69.928 68.868 0.129 0.000 0.986 572 T HN 0.198 nan 8.240 nan 0.000 0.523 573 Y N 1.661 122.030 120.300 0.115 0.000 2.403 573 Y HA -0.002 4.548 4.550 -0.000 0.000 0.291 573 Y C 2.133 178.102 175.900 0.115 0.000 1.143 573 Y CA 1.304 59.469 58.100 0.109 0.000 1.257 573 Y CB -0.217 38.292 38.460 0.082 0.000 0.984 573 Y HN 0.662 nan 8.280 nan 0.000 0.550 574 K N -0.033 120.412 120.400 0.074 0.000 1.974 574 K HA -0.121 4.199 4.320 -0.000 0.000 0.211 574 K C 1.884 178.483 176.600 -0.001 0.000 1.039 574 K CA 1.203 57.490 56.287 -0.000 0.000 0.947 574 K CB -0.242 32.310 32.500 0.088 0.000 0.735 574 K HN 0.136 nan 8.250 nan 0.000 0.441 575 E N 1.300 121.554 120.200 0.091 0.000 2.339 575 E HA -0.211 4.139 4.350 -0.000 0.000 0.201 575 E C 1.870 178.619 176.600 0.250 0.000 1.015 575 E CA 0.760 57.272 56.400 0.186 0.000 0.841 575 E CB -0.190 29.627 29.700 0.195 0.000 0.754 575 E HN 0.161 nan 8.360 nan 0.000 0.508 576 L N 0.458 121.795 121.223 0.191 0.000 1.982 576 L HA -0.001 4.339 4.340 -0.000 0.000 0.206 576 L C 2.300 179.189 176.870 0.032 0.000 1.078 576 L CA 1.302 56.264 54.840 0.203 0.000 0.749 576 L CB -0.597 41.534 42.059 0.120 0.000 0.894 576 L HN 0.063 nan 8.230 nan 0.000 0.436 577 I N -0.530 119.937 120.570 -0.171 0.000 2.657 577 I HA -0.280 3.890 4.170 -0.000 0.000 0.261 577 I C 2.241 178.313 176.117 -0.074 0.000 1.212 577 I CA 1.331 62.519 61.300 -0.188 0.000 1.453 577 I CB -0.098 37.647 38.000 -0.424 0.000 1.092 577 I HN 0.576 nan 8.210 nan 0.000 0.452 578 E N 0.626 120.807 120.200 -0.031 0.000 2.285 578 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 578 E C 1.704 178.319 176.600 0.023 0.000 0.997 578 E CA 0.400 56.806 56.400 0.009 0.000 0.845 578 E CB 0.218 29.941 29.700 0.038 0.000 0.782 578 E HN 0.475 nan 8.360 nan 0.000 0.491 579 R N -0.212 120.309 120.500 0.035 0.000 2.432 579 R HA 0.314 4.654 4.340 -0.000 0.000 0.260 579 R C 0.536 176.856 176.300 0.035 0.000 0.935 579 R CA 0.047 56.161 56.100 0.024 0.000 1.080 579 R CB 0.833 31.126 30.300 -0.012 0.000 1.155 579 R HN 0.082 nan 8.270 nan 0.000 0.531 580 I N 0.029 120.616 120.570 0.028 0.000 2.719 580 I HA 0.156 4.326 4.170 -0.000 0.000 0.319 580 I C -2.311 173.808 176.117 0.003 0.000 1.522 580 I CA -1.695 59.621 61.300 0.027 0.000 0.785 580 I CB 1.202 39.234 38.000 0.054 0.000 2.022 580 I HN -0.140 nan 8.210 nan 0.000 0.579 581 P HA -0.281 nan 4.420 nan 0.000 0.232 581 P C 0.661 177.958 177.300 -0.006 0.000 1.135 581 P CA 1.884 64.981 63.100 -0.007 0.000 0.969 581 P CB -0.012 31.686 31.700 -0.003 0.000 0.777 582 E N -0.431 119.764 120.200 -0.008 0.000 2.349 582 E HA 0.034 4.384 4.350 -0.000 0.000 0.201 582 E C 1.426 178.019 176.600 -0.012 0.000 1.087 582 E CA -0.297 56.094 56.400 -0.013 0.000 1.128 582 E CB -0.873 28.811 29.700 -0.026 0.000 1.188 582 E HN 0.174 nan 8.360 nan 0.000 0.445 583 L N 1.434 122.659 121.223 0.003 0.000 2.151 583 L HA -0.314 4.026 4.340 -0.000 0.000 0.215 583 L C 1.774 178.677 176.870 0.055 0.000 1.084 583 L CA 2.254 57.108 54.840 0.023 0.000 0.764 583 L CB -0.874 41.206 42.059 0.035 0.000 0.891 583 L HN 0.217 nan 8.230 nan 0.000 0.435 584 N N -0.809 117.924 118.700 0.055 0.000 2.039 584 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 584 N C 1.829 177.348 175.510 0.014 0.000 1.044 584 N CA 1.446 54.533 53.050 0.061 0.000 0.847 584 N CB -0.081 38.411 38.487 0.008 0.000 1.030 584 N HN 0.166 nan 8.380 nan 0.000 0.422 585 K N 0.283 120.658 120.400 -0.042 0.000 2.063 585 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 585 K C 2.015 178.549 176.600 -0.110 0.000 1.048 585 K CA 0.855 57.095 56.287 -0.079 0.000 0.928 585 K CB -0.782 31.668 32.500 -0.083 0.000 0.713 585 K HN 0.137 nan 8.250 nan 0.000 0.442 586 V N 1.457 121.281 119.914 -0.151 0.000 2.233 586 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 586 V C 2.522 178.493 176.094 -0.204 0.000 1.050 586 V CA 2.140 64.230 62.300 -0.351 0.000 1.010 586 V CB -1.040 30.601 31.823 -0.304 0.000 0.637 586 V HN 0.311 nan 8.190 nan 0.000 0.444 587 A N 0.380 123.217 122.820 0.028 0.000 1.948 587 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 587 A C 2.416 180.206 177.584 0.344 0.000 1.177 587 A CA 2.280 54.428 52.037 0.185 0.000 0.636 587 A CB -0.682 18.488 19.000 0.284 0.000 0.815 587 A HN 0.451 nan 8.150 nan 0.000 0.449 588 R N 0.163 120.909 120.500 0.410 0.000 2.080 588 R HA -0.153 4.187 4.340 -0.000 0.000 0.236 588 R C 2.265 178.691 176.300 0.210 0.000 1.137 588 R CA 2.017 58.365 56.100 0.414 0.000 0.943 588 R CB -0.985 29.314 30.300 -0.001 0.000 0.846 588 R HN 0.424 nan 8.270 nan 0.000 0.431 589 A N 1.082 123.928 122.820 0.044 0.000 1.859 589 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 589 A C 2.525 180.180 177.584 0.118 0.000 1.198 589 A CA 2.499 54.554 52.037 0.030 0.000 0.629 589 A CB -1.118 17.842 19.000 -0.067 0.000 0.830 589 A HN 0.571 nan 8.150 nan 0.000 0.446 590 A N -0.289 122.700 122.820 0.283 0.000 1.917 590 A HA 0.042 4.362 4.320 -0.000 0.000 0.219 590 A C 2.460 180.104 177.584 0.100 0.000 1.182 590 A CA 2.520 54.705 52.037 0.248 0.000 0.633 590 A CB -1.077 18.230 19.000 0.512 0.000 0.819 590 A HN 1.281 nan 8.150 nan 0.000 0.448 591 A N -0.942 121.960 122.820 0.137 0.000 2.121 591 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 591 A C 1.909 179.556 177.584 0.104 0.000 1.154 591 A CA 1.654 53.757 52.037 0.110 0.000 0.679 591 A CB -0.364 18.684 19.000 0.080 0.000 0.795 591 A HN 0.737 nan 8.150 nan 0.000 0.458 592 E N 0.050 120.275 120.200 0.042 0.000 2.075 592 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 592 E C 1.976 178.520 176.600 -0.094 0.000 0.969 592 E CA 1.262 57.660 56.400 -0.004 0.000 0.815 592 E CB -0.144 29.542 29.700 -0.023 0.000 0.776 592 E HN 0.439 nan 8.360 nan 0.000 0.457 593 V N -0.336 119.402 119.914 -0.294 0.000 2.407 593 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 593 V C 2.333 177.986 176.094 -0.735 0.000 1.055 593 V CA 1.774 63.736 62.300 -0.563 0.000 1.049 593 V CB -1.101 30.181 31.823 -0.901 0.000 0.662 593 V HN 0.326 nan 8.190 nan 0.000 0.455 594 A N 1.315 123.888 122.820 -0.411 0.000 1.902 594 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 594 A C 2.405 180.042 177.584 0.088 0.000 1.181 594 A CA 2.047 54.057 52.037 -0.045 0.000 0.623 594 A CB -1.527 17.637 19.000 0.273 0.000 0.818 594 A HN 0.727 nan 8.150 nan 0.000 0.443 595 G N -1.010 107.897 108.800 0.179 0.000 2.433 595 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 595 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 595 G C 1.617 176.787 174.900 0.451 0.000 1.186 595 G CA 0.958 46.324 45.100 0.443 0.000 0.779 595 G HN 0.602 nan 8.290 nan 0.000 0.543 596 Q N -0.724 119.266 119.800 0.317 0.000 2.096 596 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 596 Q C 2.419 178.723 176.000 0.507 0.000 0.982 596 Q CA 1.054 57.141 55.803 0.472 0.000 0.850 596 Q CB -0.274 28.756 28.738 0.486 0.000 0.901 596 Q HN 0.429 nan 8.270 nan 0.000 0.422 597 F N 0.172 120.238 119.950 0.192 0.000 2.063 597 F HA -0.259 4.268 4.527 0.000 0.000 0.298 597 F C 2.375 178.253 175.800 0.130 0.000 1.109 597 F CA 0.906 58.982 58.000 0.127 0.000 1.212 597 F CB -1.208 37.861 39.000 0.114 0.000 0.973 597 F HN -0.097 nan 8.300 nan 0.000 0.480 598 V N 0.481 120.593 119.914 0.329 0.000 2.261 598 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 598 V C 2.472 178.739 176.094 0.288 0.000 1.047 598 V CA 1.851 64.231 62.300 0.133 0.000 1.015 598 V CB -0.718 30.951 31.823 -0.257 0.000 0.642 598 V HN 0.253 nan 8.190 nan 0.000 0.446 599 I N -0.543 120.305 120.570 0.462 0.000 2.163 599 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 599 I C 2.699 179.102 176.117 0.477 0.000 1.085 599 I CA 1.470 63.094 61.300 0.539 0.000 1.347 599 I CB -0.555 37.739 38.000 0.490 0.000 1.044 599 I HN 0.233 nan 8.210 nan 0.000 0.408 600 K N 1.001 121.621 120.400 0.368 0.000 2.032 600 K HA -0.100 4.220 4.320 -0.000 0.000 0.209 600 K C 1.991 178.687 176.600 0.161 0.000 1.048 600 K CA 1.447 57.838 56.287 0.174 0.000 0.927 600 K CB -0.667 31.834 32.500 0.002 0.000 0.712 600 K HN 0.359 nan 8.250 nan 0.000 0.441 601 L N 1.105 122.450 121.223 0.203 0.000 2.633 601 L HA -0.090 4.250 4.340 -0.000 0.000 0.235 601 L C 1.362 178.410 176.870 0.298 0.000 1.163 601 L CA 0.726 55.716 54.840 0.249 0.000 0.859 601 L CB -0.294 41.985 42.059 0.367 0.000 0.973 601 L HN 0.211 nan 8.230 nan 0.000 0.451 602 T N -4.283 110.442 114.554 0.285 0.000 3.177 602 T HA -0.052 4.298 4.350 -0.000 0.000 0.262 602 T C 1.595 176.458 174.700 0.272 0.000 0.959 602 T CA 0.058 62.324 62.100 0.277 0.000 0.996 602 T CB -0.162 68.889 68.868 0.305 0.000 1.185 602 T HN 0.353 nan 8.240 nan 0.000 0.486 603 H N 2.309 121.556 119.070 0.296 0.000 2.278 603 H HA -0.158 4.398 4.556 0.000 0.000 0.287 603 H C -0.386 175.029 175.328 0.146 0.000 1.107 603 H CA 1.986 58.203 56.048 0.281 0.000 1.192 603 H CB -0.284 29.650 29.762 0.288 0.000 1.346 603 H HN 0.353 nan 8.280 nan 0.000 0.478 604 D N -0.376 119.794 120.400 -0.384 0.000 2.340 604 D HA 0.129 4.769 4.640 -0.000 0.000 0.251 604 D C 1.089 177.295 176.300 -0.156 0.000 1.080 604 D CA 0.190 53.936 54.000 -0.423 0.000 0.971 604 D CB 2.292 42.782 40.800 -0.517 0.000 1.137 604 D HN 0.119 nan 8.370 nan 0.000 0.475 605 V N 0.024 119.870 119.914 -0.113 0.000 2.871 605 V HA -0.066 4.054 4.120 -0.000 0.000 0.256 605 V C -0.167 175.900 176.094 -0.045 0.000 1.082 605 V CA 1.251 63.523 62.300 -0.046 0.000 1.105 605 V CB -0.402 31.415 31.823 -0.010 0.000 0.713 605 V HN 0.456 nan 8.190 nan 0.000 0.473 606 E N 1.768 121.909 120.200 -0.098 0.000 2.229 606 E HA 0.306 4.656 4.350 -0.000 0.000 0.283 606 E C -0.273 176.219 176.600 -0.178 0.000 1.030 606 E CA -0.354 55.965 56.400 -0.134 0.000 0.836 606 E CB 0.894 30.428 29.700 -0.278 0.000 1.068 606 E HN 0.146 nan 8.360 nan 0.000 0.401 607 L N 4.024 125.162 121.223 -0.141 0.000 2.485 607 L HA 0.100 4.440 4.340 -0.000 0.000 0.279 607 L C -0.670 176.092 176.870 -0.181 0.000 1.124 607 L CA 0.164 54.877 54.840 -0.212 0.000 0.888 607 L CB -0.310 41.617 42.059 -0.220 0.000 1.217 607 L HN 0.506 nan 8.230 nan 0.000 0.464 608 N N 7.252 125.847 118.700 -0.175 0.000 2.807 608 N HA 0.249 4.989 4.740 -0.000 0.000 0.259 608 N C -0.617 174.846 175.510 -0.079 0.000 1.149 608 N CA 0.066 53.026 53.050 -0.148 0.000 1.042 608 N CB 0.504 38.895 38.487 -0.160 0.000 1.367 608 N HN 0.560 nan 8.380 nan 0.000 0.516 609 L N 0.721 121.933 121.223 -0.017 0.000 2.365 609 L HA 0.327 4.667 4.340 -0.000 0.000 0.273 609 L C -0.151 176.729 176.870 0.017 0.000 1.000 609 L CA -0.917 53.953 54.840 0.050 0.000 0.819 609 L CB 2.021 44.171 42.059 0.151 0.000 1.284 609 L HN 0.085 nan 8.230 nan 0.000 0.418 610 D N 1.744 122.133 120.400 -0.017 0.000 2.671 610 D HA 0.019 4.659 4.640 -0.000 0.000 0.228 610 D C 0.856 177.139 176.300 -0.028 0.000 1.102 610 D CA 0.111 54.047 54.000 -0.107 0.000 1.044 610 D CB -0.049 40.728 40.800 -0.039 0.000 1.113 610 D HN 0.373 nan 8.370 nan 0.000 0.480 611 Y N -0.596 119.794 120.300 0.151 0.000 2.639 611 Y HA -0.011 4.538 4.550 0.000 0.000 0.297 611 Y C 1.350 177.390 175.900 0.234 0.000 1.151 611 Y CA 0.316 58.562 58.100 0.244 0.000 1.335 611 Y CB -0.580 37.997 38.460 0.196 0.000 0.994 611 Y HN 0.152 nan 8.280 nan 0.000 0.548 612 E N 0.979 121.088 120.200 -0.152 0.000 2.028 612 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 612 E C 1.812 178.425 176.600 0.023 0.000 0.984 612 E CA 0.930 57.286 56.400 -0.073 0.000 0.800 612 E CB -0.199 29.383 29.700 -0.196 0.000 0.758 612 E HN 0.485 nan 8.360 nan 0.000 0.448 613 E N 0.408 120.591 120.200 -0.028 0.000 2.352 613 E HA -0.230 4.120 4.350 -0.000 0.000 0.203 613 E C 1.546 178.060 176.600 -0.143 0.000 1.024 613 E CA 1.128 57.475 56.400 -0.089 0.000 0.842 613 E CB -0.253 29.364 29.700 -0.140 0.000 0.753 613 E HN 0.481 nan 8.360 nan 0.000 0.508 614 Y N 0.706 121.014 120.300 0.013 0.000 2.457 614 Y HA -0.028 4.522 4.550 0.000 0.000 0.292 614 Y C 2.194 178.099 175.900 0.008 0.000 1.125 614 Y CA 0.414 58.459 58.100 -0.090 0.000 1.254 614 Y CB 0.151 38.559 38.460 -0.087 0.000 1.012 614 Y HN 0.029 nan 8.280 nan 0.000 0.555 615 N N -0.488 118.356 118.700 0.240 0.000 2.084 615 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 615 N C 1.921 177.553 175.510 0.204 0.000 1.030 615 N CA 1.669 54.861 53.050 0.237 0.000 0.849 615 N CB -0.357 38.135 38.487 0.009 0.000 1.012 615 N HN 0.206 nan 8.380 nan 0.000 0.423 616 S N 1.386 117.160 115.700 0.122 0.000 2.351 616 S HA -0.119 4.351 4.470 -0.000 0.000 0.220 616 S C 1.841 176.501 174.600 0.099 0.000 1.035 616 S CA 0.942 59.205 58.200 0.104 0.000 1.031 616 S CB -0.344 62.880 63.200 0.040 0.000 0.928 616 S HN 0.316 nan 8.310 nan 0.000 0.433 617 Q N 0.320 120.139 119.800 0.032 0.000 2.217 617 Q HA -0.088 4.252 4.340 -0.000 0.000 0.209 617 Q C 2.140 178.311 176.000 0.284 0.000 0.988 617 Q CA 1.023 56.880 55.803 0.091 0.000 0.878 617 Q CB -0.580 28.044 28.738 -0.190 0.000 0.909 617 Q HN 0.361 nan 8.270 nan 0.000 0.424 618 L N 0.037 121.413 121.223 0.256 0.000 2.131 618 L HA -0.029 4.311 4.340 -0.000 0.000 0.206 618 L C 2.183 179.198 176.870 0.240 0.000 1.087 618 L CA 1.047 56.057 54.840 0.284 0.000 0.767 618 L CB -0.791 41.402 42.059 0.224 0.000 0.917 618 L HN 0.236 nan 8.230 nan 0.000 0.441 619 L N -1.777 119.567 121.223 0.201 0.000 2.056 619 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 619 L C 2.574 179.510 176.870 0.110 0.000 1.078 619 L CA 1.778 56.707 54.840 0.148 0.000 0.749 619 L CB -0.479 41.678 42.059 0.165 0.000 0.901 619 L HN 0.294 nan 8.230 nan 0.000 0.433 620 S N -0.557 115.222 115.700 0.131 0.000 2.374 620 S HA -0.290 4.180 4.470 -0.000 0.000 0.227 620 S C 1.901 176.568 174.600 0.112 0.000 1.037 620 S CA 1.819 60.085 58.200 0.110 0.000 1.024 620 S CB -0.704 62.567 63.200 0.119 0.000 0.861 620 S HN 0.623 nan 8.310 nan 0.000 0.456 621 F N 2.567 122.503 119.950 -0.023 0.000 2.046 621 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 621 F C 2.140 177.897 175.800 -0.072 0.000 1.123 621 F CA 1.902 59.852 58.000 -0.084 0.000 1.199 621 F CB -1.125 37.769 39.000 -0.177 0.000 0.972 621 F HN 0.077 nan 8.300 nan 0.000 0.474 622 V N 1.656 121.397 119.914 -0.288 0.000 2.278 622 V HA -0.377 3.743 4.120 -0.000 0.000 0.251 622 V C 2.717 178.625 176.094 -0.310 0.000 1.062 622 V CA 2.232 64.258 62.300 -0.458 0.000 1.038 622 V CB -0.933 30.705 31.823 -0.308 0.000 0.646 622 V HN 0.299 nan 8.190 nan 0.000 0.447 623 R N 0.141 120.559 120.500 -0.137 0.000 2.096 623 R HA -0.188 4.152 4.340 -0.000 0.000 0.229 623 R C 2.181 178.447 176.300 -0.057 0.000 1.134 623 R CA 1.969 58.034 56.100 -0.059 0.000 0.917 623 R CB -1.455 28.844 30.300 -0.001 0.000 0.832 623 R HN 0.561 nan 8.270 nan 0.000 0.430 624 D N 0.848 121.228 120.400 -0.032 0.000 2.203 624 D HA -0.179 4.461 4.640 -0.000 0.000 0.199 624 D C 1.812 178.162 176.300 0.083 0.000 0.997 624 D CA 0.844 54.868 54.000 0.039 0.000 0.863 624 D CB -0.056 40.787 40.800 0.070 0.000 0.928 624 D HN 0.065 nan 8.370 nan 0.000 0.458 625 L N 0.699 121.839 121.223 -0.138 0.000 2.156 625 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 625 L C 1.552 178.461 176.870 0.066 0.000 1.095 625 L CA 1.335 56.099 54.840 -0.127 0.000 0.770 625 L CB -0.681 41.045 42.059 -0.556 0.000 0.914 625 L HN -0.062 nan 8.230 nan 0.000 0.439 626 N N -0.183 118.512 118.700 -0.008 0.000 2.520 626 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 626 N C 1.397 176.911 175.510 0.007 0.000 1.068 626 N CA 0.597 53.666 53.050 0.033 0.000 0.911 626 N CB -0.088 38.417 38.487 0.030 0.000 0.961 626 N HN 0.609 nan 8.380 nan 0.000 0.446 627 Q N -0.718 119.061 119.800 -0.035 0.000 2.515 627 Q HA -0.041 4.299 4.340 -0.000 0.000 0.212 627 Q C 0.148 175.825 176.000 -0.539 0.000 0.970 627 Q CA 0.693 56.324 55.803 -0.288 0.000 0.941 627 Q CB 0.103 28.599 28.738 -0.404 0.000 0.998 627 Q HN 0.530 nan 8.270 nan 0.000 0.518 628 Y N -1.553 118.711 120.300 -0.060 0.000 2.682 628 Y HA 0.263 4.813 4.550 -0.000 0.000 0.251 628 Y C 1.553 177.420 175.900 -0.055 0.000 1.172 628 Y CA -0.625 57.428 58.100 -0.078 0.000 1.186 628 Y CB 0.233 38.627 38.460 -0.110 0.000 1.216 628 Y HN -0.069 nan 8.280 nan 0.000 0.540 629 R N 0.892 121.434 120.500 0.070 0.000 2.170 629 R HA -0.229 4.111 4.340 -0.000 0.000 0.242 629 R C 2.117 178.440 176.300 0.038 0.000 1.145 629 R CA 1.306 57.445 56.100 0.066 0.000 0.984 629 R CB -0.041 30.287 30.300 0.047 0.000 0.869 629 R HN 0.448 nan 8.270 nan 0.000 0.455 630 A N 0.909 123.731 122.820 0.003 0.000 1.855 630 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 630 A C 1.705 179.282 177.584 -0.011 0.000 1.191 630 A CA 1.701 53.730 52.037 -0.014 0.000 0.613 630 A CB -0.474 18.500 19.000 -0.043 0.000 0.829 630 A HN 0.308 nan 8.150 nan 0.000 0.442 631 D N 0.115 120.502 120.400 -0.022 0.000 2.117 631 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 631 D C 1.917 178.197 176.300 -0.034 0.000 0.987 631 D CA 1.186 55.142 54.000 -0.072 0.000 0.829 631 D CB -0.275 40.434 40.800 -0.152 0.000 0.961 631 D HN 0.299 nan 8.370 nan 0.000 0.460 632 I N 1.183 121.769 120.570 0.027 0.000 2.423 632 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 632 I C 2.286 178.461 176.117 0.097 0.000 1.151 632 I CA 1.040 62.403 61.300 0.104 0.000 1.421 632 I CB -0.700 37.392 38.000 0.154 0.000 1.079 632 I HN -0.047 nan 8.210 nan 0.000 0.431 633 K N 1.073 121.509 120.400 0.059 0.000 2.098 633 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 633 K C 1.889 178.515 176.600 0.043 0.000 1.051 633 K CA 0.850 57.168 56.287 0.052 0.000 0.957 633 K CB -0.010 32.509 32.500 0.032 0.000 0.738 633 K HN 0.348 nan 8.250 nan 0.000 0.447 634 E N 0.124 120.338 120.200 0.024 0.000 2.130 634 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 634 E C 0.461 177.088 176.600 0.045 0.000 0.998 634 E CA 0.875 57.288 56.400 0.021 0.000 0.806 634 E CB -0.015 29.683 29.700 -0.004 0.000 0.738 634 E HN 0.262 nan 8.360 nan 0.000 0.459 635 M N -0.379 119.260 119.600 0.065 0.000 2.274 635 M HA 0.142 4.622 4.480 -0.000 0.000 0.344 635 M C 1.355 177.721 176.300 0.111 0.000 1.161 635 M CA -0.141 55.222 55.300 0.106 0.000 1.126 635 M CB 1.249 33.945 32.600 0.159 0.000 1.522 635 M HN 0.000 nan 8.290 nan 0.000 0.461 636 G N 2.829 111.694 108.800 0.109 0.000 2.564 636 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.216 636 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.216 636 G C 0.621 175.602 174.900 0.136 0.000 1.124 636 G CA 0.011 45.174 45.100 0.106 0.000 0.764 636 G HN 0.590 nan 8.290 nan 0.000 0.550 637 L N 1.085 122.407 121.223 0.165 0.000 2.615 637 L HA -0.030 4.310 4.340 -0.000 0.000 0.284 637 L C 1.837 178.828 176.870 0.201 0.000 1.237 637 L CA 0.045 55.006 54.840 0.201 0.000 0.905 637 L CB 0.733 42.940 42.059 0.248 0.000 1.149 637 L HN 0.178 nan 8.230 nan 0.000 0.499 638 S N 3.301 119.156 115.700 0.258 0.000 2.470 638 S HA -0.003 4.467 4.470 -0.000 0.000 0.222 638 S C 1.376 176.114 174.600 0.229 0.000 1.024 638 S CA 0.246 58.579 58.200 0.222 0.000 0.931 638 S CB -0.140 63.207 63.200 0.244 0.000 0.791 638 S HN 0.634 nan 8.310 nan 0.000 0.513 639 L N 0.973 122.379 121.223 0.305 0.000 4.312 639 L HA -0.299 4.041 4.340 -0.000 0.000 0.427 639 L C 1.160 178.266 176.870 0.393 0.000 1.149 639 L CA 1.561 56.590 54.840 0.313 0.000 0.978 639 L CB -1.072 41.160 42.059 0.288 0.000 1.963 639 L HN 0.504 nan 8.230 nan 0.000 0.970 640 Q N -0.854 119.112 119.800 0.276 0.000 2.163 640 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 640 Q C 1.714 177.804 176.000 0.149 0.000 0.954 640 Q CA 1.983 57.857 55.803 0.119 0.000 0.851 640 Q CB -0.234 28.440 28.738 -0.106 0.000 0.928 640 Q HN 0.689 nan 8.270 nan 0.000 0.459 641 W N 0.159 121.558 121.300 0.165 0.000 2.392 641 W HA -0.141 4.519 4.660 -0.000 0.000 0.279 641 W C 1.736 178.179 176.519 -0.128 0.000 1.225 641 W CA 0.801 58.137 57.345 -0.016 0.000 1.233 641 W CB -0.360 29.043 29.460 -0.095 0.000 1.122 641 W HN 0.338 nan 8.180 nan 0.000 0.561 642 L N -0.184 121.149 121.223 0.184 0.000 2.027 642 L HA -0.196 4.144 4.340 -0.000 0.000 0.206 642 L C 2.173 179.062 176.870 0.031 0.000 1.074 642 L CA 1.939 56.808 54.840 0.047 0.000 0.745 642 L CB -1.458 40.602 42.059 0.002 0.000 0.898 642 L HN -0.134 nan 8.230 nan 0.000 0.433 643 Y N -0.184 120.103 120.300 -0.022 0.000 2.165 643 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 643 Y C 2.784 178.638 175.900 -0.077 0.000 1.155 643 Y CA 1.635 59.714 58.100 -0.035 0.000 1.164 643 Y CB -1.135 37.293 38.460 -0.054 0.000 0.978 643 Y HN 0.206 nan 8.280 nan 0.000 0.513 644 S N -0.000 115.691 115.700 -0.014 0.000 2.359 644 S HA -0.287 4.183 4.470 -0.000 0.000 0.224 644 S C 2.380 176.943 174.600 -0.061 0.000 1.035 644 S CA 1.179 59.261 58.200 -0.197 0.000 1.018 644 S CB -0.871 61.968 63.200 -0.603 0.000 0.876 644 S HN 0.538 nan 8.310 nan 0.000 0.448 645 A N 2.364 125.165 122.820 -0.032 0.000 1.851 645 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 645 A C 2.049 179.718 177.584 0.142 0.000 1.195 645 A CA 2.214 54.274 52.037 0.039 0.000 0.622 645 A CB -0.818 18.176 19.000 -0.010 0.000 0.831 645 A HN 0.461 nan 8.150 nan 0.000 0.444 646 R N 0.010 120.588 120.500 0.130 0.000 2.133 646 R HA -0.125 4.215 4.340 -0.000 0.000 0.247 646 R C 1.923 178.409 176.300 0.310 0.000 1.151 646 R CA 2.474 58.700 56.100 0.209 0.000 0.971 646 R CB -1.138 29.242 30.300 0.134 0.000 0.866 646 R HN 0.401 nan 8.270 nan 0.000 0.447 647 G N -0.612 108.313 108.800 0.209 0.000 2.408 647 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.213 647 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.213 647 G C 0.941 175.971 174.900 0.218 0.000 1.177 647 G CA 0.541 45.760 45.100 0.198 0.000 0.802 647 G HN 0.367 nan 8.290 nan 0.000 0.533 648 D N -0.507 119.984 120.400 0.151 0.000 2.271 648 D HA -0.109 4.531 4.640 -0.000 0.000 0.207 648 D C 1.744 178.152 176.300 0.181 0.000 0.983 648 D CA 0.574 54.652 54.000 0.129 0.000 0.878 648 D CB -0.124 40.733 40.800 0.095 0.000 0.920 648 D HN 0.307 nan 8.370 nan 0.000 0.479 649 F N -0.967 119.058 119.950 0.126 0.000 2.317 649 F HA 0.049 4.576 4.527 -0.000 0.000 0.293 649 F C 1.824 177.731 175.800 0.178 0.000 1.085 649 F CA 0.422 58.498 58.000 0.126 0.000 1.390 649 F CB -0.241 38.850 39.000 0.153 0.000 1.077 649 F HN -0.100 nan 8.300 nan 0.000 0.517 650 F N 1.359 121.456 119.950 0.246 0.000 2.069 650 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 650 F C 2.594 178.409 175.800 0.025 0.000 1.113 650 F CA 1.884 59.984 58.000 0.167 0.000 1.214 650 F CB -0.345 38.762 39.000 0.178 0.000 0.978 650 F HN -0.212 nan 8.300 nan 0.000 0.474 651 R N 0.145 120.834 120.500 0.315 0.000 2.094 651 R HA -0.239 4.101 4.340 -0.000 0.000 0.239 651 R C 2.441 178.749 176.300 0.013 0.000 1.137 651 R CA 1.372 57.574 56.100 0.169 0.000 0.943 651 R CB -1.135 29.228 30.300 0.106 0.000 0.850 651 R HN 0.421 nan 8.270 nan 0.000 0.433 652 A N 0.915 123.677 122.820 -0.096 0.000 1.896 652 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 652 A C 2.343 179.763 177.584 -0.273 0.000 1.206 652 A CA 2.733 54.631 52.037 -0.232 0.000 0.647 652 A CB -1.347 17.419 19.000 -0.390 0.000 0.828 652 A HN 0.623 nan 8.150 nan 0.000 0.455 653 T N -3.417 110.937 114.554 -0.333 0.000 2.867 653 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 653 T C 2.009 176.711 174.700 0.003 0.000 1.057 653 T CA 1.910 63.903 62.100 -0.178 0.000 1.136 653 T CB -0.577 68.220 68.868 -0.117 0.000 0.874 653 T HN 0.463 nan 8.240 nan 0.000 0.466 654 S N 0.797 116.497 115.700 -0.000 0.000 2.402 654 S HA -0.048 4.422 4.470 -0.000 0.000 0.229 654 S C 2.303 176.939 174.600 0.060 0.000 1.021 654 S CA 0.555 58.803 58.200 0.079 0.000 0.974 654 S CB -0.359 62.938 63.200 0.162 0.000 0.800 654 S HN 0.576 nan 8.310 nan 0.000 0.484 655 R N 0.046 120.548 120.500 0.003 0.000 2.055 655 R HA 0.033 4.373 4.340 -0.000 0.000 0.228 655 R C 2.377 178.649 176.300 -0.047 0.000 1.143 655 R CA 1.383 57.469 56.100 -0.023 0.000 0.945 655 R CB -0.893 29.371 30.300 -0.059 0.000 0.841 655 R HN 0.412 nan 8.270 nan 0.000 0.429 656 L N 1.009 122.162 121.223 -0.116 0.000 1.997 656 L HA -0.227 4.113 4.340 -0.000 0.000 0.216 656 L C 2.265 179.174 176.870 0.064 0.000 1.074 656 L CA 2.216 56.944 54.840 -0.188 0.000 0.763 656 L CB -1.118 40.700 42.059 -0.402 0.000 0.890 656 L HN 0.128 nan 8.230 nan 0.000 0.434 657 T N -2.073 112.621 114.554 0.233 0.000 2.946 657 T HA -0.146 4.204 4.350 -0.000 0.000 0.271 657 T C 1.560 176.402 174.700 0.238 0.000 1.104 657 T CA 1.822 64.145 62.100 0.371 0.000 1.114 657 T CB -0.256 68.784 68.868 0.287 0.000 0.867 657 T HN 0.623 nan 8.240 nan 0.000 0.513 658 T N 0.753 115.390 114.554 0.137 0.000 2.904 658 T HA -0.001 4.349 4.350 -0.000 0.000 0.243 658 T C 1.619 176.367 174.700 0.080 0.000 1.024 658 T CA 0.698 62.857 62.100 0.097 0.000 1.158 658 T CB -0.401 68.502 68.868 0.058 0.000 0.867 658 T HN 0.292 nan 8.240 nan 0.000 0.429 659 D N 0.909 121.313 120.400 0.006 0.000 2.170 659 D HA -0.127 4.513 4.640 -0.000 0.000 0.193 659 D C 1.752 178.042 176.300 -0.018 0.000 1.004 659 D CA 1.224 55.191 54.000 -0.056 0.000 0.860 659 D CB -0.426 40.270 40.800 -0.174 0.000 0.931 659 D HN 0.352 nan 8.370 nan 0.000 0.448 660 F N 1.046 121.002 119.950 0.010 0.000 2.046 660 F HA -0.173 4.354 4.527 0.000 0.000 0.297 660 F C 2.729 178.542 175.800 0.021 0.000 1.123 660 F CA 1.378 59.388 58.000 0.017 0.000 1.199 660 F CB -0.554 38.471 39.000 0.042 0.000 0.972 660 F HN 0.032 nan 8.300 nan 0.000 0.474 661 G N -0.147 108.803 108.800 0.250 0.000 2.469 661 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.219 661 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.219 661 G C 1.356 176.317 174.900 0.102 0.000 1.150 661 G CA 1.280 46.464 45.100 0.140 0.000 0.763 661 G HN 0.293 nan 8.290 nan 0.000 0.561 662 N N 1.105 119.857 118.700 0.087 0.000 2.494 662 N HA 0.124 4.864 4.740 -0.000 0.000 0.182 662 N C 1.013 176.557 175.510 0.057 0.000 1.076 662 N CA 0.673 53.758 53.050 0.059 0.000 0.908 662 N CB 0.069 38.580 38.487 0.040 0.000 0.967 662 N HN 0.382 nan 8.380 nan 0.000 0.449 663 A N 1.151 124.016 122.820 0.075 0.000 2.302 663 A HA 0.409 4.729 4.320 -0.000 0.000 0.285 663 A C -0.286 177.351 177.584 0.087 0.000 1.105 663 A CA -0.493 51.587 52.037 0.073 0.000 0.816 663 A CB 0.491 19.531 19.000 0.066 0.000 1.067 663 A HN 0.072 nan 8.150 nan 0.000 0.489 664 E N 0.928 121.173 120.200 0.074 0.000 2.216 664 E HA 0.367 4.717 4.350 -0.000 0.000 0.279 664 E C -0.512 176.132 176.600 0.073 0.000 0.997 664 E CA -0.564 55.877 56.400 0.068 0.000 0.817 664 E CB 0.900 30.632 29.700 0.055 0.000 1.096 664 E HN 0.514 nan 8.360 nan 0.000 0.393 665 K N 1.186 121.626 120.400 0.067 0.000 2.699 665 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 665 K C 0.212 176.843 176.600 0.053 0.000 1.008 665 K CA 0.596 56.919 56.287 0.059 0.000 1.100 665 K CB -0.186 32.340 32.500 0.042 0.000 0.878 665 K HN 0.444 nan 8.250 nan 0.000 0.496 666 T N -0.548 114.039 114.554 0.056 0.000 2.955 666 T HA -0.041 4.309 4.350 -0.000 0.000 0.251 666 T C 0.261 174.997 174.700 0.059 0.000 1.002 666 T CA -0.126 62.005 62.100 0.051 0.000 0.970 666 T CB 0.292 69.187 68.868 0.045 0.000 1.091 666 T HN 0.141 nan 8.240 nan 0.000 0.495 667 D N 2.366 122.808 120.400 0.071 0.000 2.517 667 D HA 0.121 4.761 4.640 -0.000 0.000 0.220 667 D C 1.354 177.724 176.300 0.116 0.000 1.158 667 D CA -0.166 53.890 54.000 0.094 0.000 0.992 667 D CB 0.134 40.996 40.800 0.104 0.000 1.058 667 D HN 0.097 nan 8.370 nan 0.000 0.516 668 R N 2.023 122.583 120.500 0.099 0.000 2.174 668 R HA -0.248 4.092 4.340 -0.000 0.000 0.253 668 R C 1.578 177.938 176.300 0.100 0.000 1.165 668 R CA 1.318 57.468 56.100 0.083 0.000 0.984 668 R CB -0.199 30.144 30.300 0.071 0.000 0.873 668 R HN 0.442 nan 8.270 nan 0.000 0.456 669 F N 0.507 120.454 119.950 -0.006 0.000 2.074 669 F HA -0.187 4.340 4.527 -0.000 0.000 0.293 669 F C 2.191 177.977 175.800 -0.023 0.000 1.116 669 F CA 1.701 59.692 58.000 -0.015 0.000 1.212 669 F CB -0.615 38.375 39.000 -0.017 0.000 0.998 669 F HN -0.116 nan 8.300 nan 0.000 0.471 670 V N -1.137 118.962 119.914 0.309 0.000 2.594 670 V HA -0.245 3.875 4.120 -0.000 0.000 0.253 670 V C 2.150 178.218 176.094 -0.044 0.000 1.069 670 V CA 1.652 64.027 62.300 0.126 0.000 1.082 670 V CB -0.838 31.079 31.823 0.156 0.000 0.680 670 V HN 0.409 nan 8.190 nan 0.000 0.469 671 M N 0.095 119.697 119.600 0.002 0.000 2.156 671 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 671 M C 2.290 178.568 176.300 -0.036 0.000 1.067 671 M CA 1.752 57.064 55.300 0.020 0.000 1.131 671 M CB -1.139 31.507 32.600 0.077 0.000 1.368 671 M HN 0.410 nan 8.290 nan 0.000 0.416 672 K N 0.995 121.343 120.400 -0.087 0.000 2.063 672 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 672 K C 1.943 178.440 176.600 -0.171 0.000 1.048 672 K CA 1.424 57.644 56.287 -0.112 0.000 0.928 672 K CB -0.260 32.141 32.500 -0.165 0.000 0.713 672 K HN 0.274 nan 8.250 nan 0.000 0.442 673 K N 0.603 120.820 120.400 -0.305 0.000 2.209 673 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 673 K C 2.174 178.625 176.600 -0.249 0.000 1.048 673 K CA 0.841 56.941 56.287 -0.313 0.000 0.940 673 K CB 0.062 32.324 32.500 -0.396 0.000 0.729 673 K HN 0.121 nan 8.250 nan 0.000 0.451 674 L N 0.374 121.434 121.223 -0.272 0.000 2.071 674 L HA -0.099 4.241 4.340 -0.000 0.000 0.201 674 L C 2.078 178.816 176.870 -0.220 0.000 1.076 674 L CA 0.632 55.216 54.840 -0.427 0.000 0.755 674 L CB -0.713 40.828 42.059 -0.863 0.000 0.915 674 L HN 0.154 nan 8.230 nan 0.000 0.445 675 N N 0.454 119.151 118.700 -0.005 0.000 2.184 675 N HA -0.224 4.516 4.740 -0.000 0.000 0.190 675 N C 1.369 176.890 175.510 0.018 0.000 1.011 675 N CA 1.546 54.660 53.050 0.107 0.000 0.867 675 N CB -0.361 38.185 38.487 0.098 0.000 0.993 675 N HN 0.365 nan 8.380 nan 0.000 0.433 676 D N 0.671 121.068 120.400 -0.004 0.000 2.144 676 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 676 D C 1.998 178.281 176.300 -0.027 0.000 0.984 676 D CA 0.656 54.658 54.000 0.004 0.000 0.834 676 D CB 0.025 40.824 40.800 -0.002 0.000 0.955 676 D HN 0.323 nan 8.370 nan 0.000 0.465 677 R N 0.593 121.037 120.500 -0.092 0.000 2.081 677 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 677 R C 2.480 178.724 176.300 -0.093 0.000 1.131 677 R CA 0.621 56.646 56.100 -0.125 0.000 0.960 677 R CB -0.734 29.428 30.300 -0.230 0.000 0.856 677 R HN 0.125 nan 8.270 nan 0.000 0.436 678 V N 1.620 121.492 119.914 -0.071 0.000 2.332 678 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 678 V C 2.407 178.549 176.094 0.080 0.000 1.055 678 V CA 1.748 64.055 62.300 0.012 0.000 1.038 678 V CB -0.444 31.470 31.823 0.151 0.000 0.651 678 V HN 0.303 nan 8.190 nan 0.000 0.450 679 M N -0.863 118.766 119.600 0.048 0.000 2.539 679 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 679 M C 2.201 178.577 176.300 0.127 0.000 1.069 679 M CA 1.452 56.795 55.300 0.071 0.000 1.081 679 M CB -0.110 32.472 32.600 -0.029 0.000 1.412 679 M HN 0.259 nan 8.290 nan 0.000 0.482 680 R N -1.502 119.070 120.500 0.121 0.000 2.140 680 R HA 0.024 4.364 4.340 -0.000 0.000 0.213 680 R C 1.955 178.383 176.300 0.214 0.000 1.059 680 R CA 0.715 56.928 56.100 0.189 0.000 1.000 680 R CB -0.349 30.104 30.300 0.255 0.000 0.910 680 R HN 0.208 nan 8.270 nan 0.000 0.455 681 V N 1.951 121.960 119.914 0.159 0.000 2.226 681 V HA -0.364 3.756 4.120 -0.000 0.000 0.254 681 V C 2.307 178.502 176.094 0.167 0.000 1.065 681 V CA 2.468 64.869 62.300 0.169 0.000 1.039 681 V CB -0.565 31.407 31.823 0.249 0.000 0.653 681 V HN 0.323 nan 8.190 nan 0.000 0.450 682 E N -0.750 119.584 120.200 0.223 0.000 2.031 682 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 682 E C 2.084 178.824 176.600 0.234 0.000 0.994 682 E CA 1.869 58.435 56.400 0.277 0.000 0.800 682 E CB -0.575 29.317 29.700 0.320 0.000 0.752 682 E HN 0.672 nan 8.360 nan 0.000 0.447 683 Y N 0.657 120.948 120.300 -0.015 0.000 2.165 683 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 683 Y C 2.028 177.754 175.900 -0.289 0.000 1.155 683 Y CA 2.288 60.255 58.100 -0.222 0.000 1.164 683 Y CB -0.403 37.654 38.460 -0.670 0.000 0.978 683 Y HN 0.268 nan 8.280 nan 0.000 0.513 684 H N -1.055 117.814 119.070 -0.335 0.000 2.568 684 H HA -0.081 4.475 4.556 -0.000 0.000 0.281 684 H C 0.677 175.651 175.328 -0.590 0.000 1.028 684 H CA 1.010 56.769 56.048 -0.482 0.000 1.199 684 H CB -0.604 28.947 29.762 -0.351 0.000 1.352 684 H HN 0.423 nan 8.280 nan 0.000 0.605 685 F N 0.272 120.026 119.950 -0.327 0.000 2.639 685 F HA 0.182 4.709 4.527 -0.000 0.000 0.300 685 F C 0.485 175.975 175.800 -0.516 0.000 1.109 685 F CA -0.127 57.607 58.000 -0.442 0.000 1.335 685 F CB 0.489 39.086 39.000 -0.673 0.000 1.014 685 F HN -0.090 nan 8.300 nan 0.000 0.537 686 L N 0.357 121.393 121.223 -0.311 0.000 2.257 686 L HA 0.226 4.566 4.340 -0.000 0.000 0.290 686 L C 0.803 177.561 176.870 -0.187 0.000 1.044 686 L CA -0.692 54.005 54.840 -0.238 0.000 0.810 686 L CB 1.233 43.072 42.059 -0.367 0.000 1.193 686 L HN -0.094 nan 8.230 nan 0.000 0.425 687 S N 5.962 121.643 115.700 -0.032 0.000 2.887 687 S HA 0.037 4.507 4.470 -0.000 0.000 0.337 687 S C -1.320 173.243 174.600 -0.063 0.000 1.209 687 S CA -0.866 57.357 58.200 0.038 0.000 1.186 687 S CB 0.245 63.535 63.200 0.150 0.000 0.925 687 S HN 0.451 nan 8.310 nan 0.000 0.522 688 P HA 0.113 nan 4.420 nan 0.000 0.253 688 P C -0.531 176.447 177.300 -0.537 0.000 1.508 688 P CA 0.204 63.092 63.100 -0.353 0.000 0.883 688 P CB -0.362 31.088 31.700 -0.417 0.000 1.519 689 Y N -0.520 119.743 120.300 -0.062 0.000 2.588 689 Y HA 0.168 4.718 4.550 -0.000 0.000 0.247 689 Y C 1.042 176.899 175.900 -0.071 0.000 1.157 689 Y CA -0.515 57.554 58.100 -0.051 0.000 1.215 689 Y CB 0.862 39.306 38.460 -0.026 0.000 1.245 689 Y HN -0.185 nan 8.280 nan 0.000 0.534 690 V N -2.403 117.498 119.914 -0.022 0.000 2.656 690 V HA 0.602 4.722 4.120 -0.000 0.000 0.307 690 V C -0.029 176.003 176.094 -0.103 0.000 1.051 690 V CA -1.200 61.044 62.300 -0.094 0.000 0.893 690 V CB 1.767 33.426 31.823 -0.272 0.000 0.999 690 V HN -0.003 nan 8.190 nan 0.000 0.426 691 S N 4.276 119.937 115.700 -0.065 0.000 2.528 691 S HA 0.432 4.902 4.470 -0.000 0.000 0.277 691 S C -1.318 173.267 174.600 -0.025 0.000 1.297 691 S CA -0.891 57.286 58.200 -0.038 0.000 1.052 691 S CB 1.239 64.434 63.200 -0.009 0.000 0.917 691 S HN 0.764 nan 8.310 nan 0.000 0.492 692 P HA -0.127 nan 4.420 nan 0.000 0.217 692 P C 1.322 178.668 177.300 0.077 0.000 1.148 692 P CA 0.946 64.087 63.100 0.067 0.000 0.828 692 P CB 0.141 31.918 31.700 0.127 0.000 0.783 693 K N -0.309 120.153 120.400 0.103 0.000 2.147 693 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 693 K C 1.518 178.173 176.600 0.091 0.000 1.049 693 K CA 1.288 57.669 56.287 0.157 0.000 0.936 693 K CB 0.036 32.649 32.500 0.188 0.000 0.722 693 K HN 0.079 nan 8.250 nan 0.000 0.446 694 E N -0.147 120.079 120.200 0.043 0.000 2.079 694 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 694 E C 0.222 176.820 176.600 -0.004 0.000 0.961 694 E CA 0.527 56.942 56.400 0.025 0.000 0.823 694 E CB 0.380 30.089 29.700 0.016 0.000 0.789 694 E HN -0.050 nan 8.360 nan 0.000 0.459 695 S N 2.784 118.460 115.700 -0.041 0.000 2.399 695 S HA 0.195 4.665 4.470 -0.000 0.000 0.215 695 S C -1.955 172.589 174.600 -0.095 0.000 1.456 695 S CA -1.035 57.133 58.200 -0.053 0.000 1.199 695 S CB 1.825 64.976 63.200 -0.081 0.000 1.063 695 S HN 0.013 nan 8.310 nan 0.000 0.476 696 P HA -0.120 nan 4.420 nan 0.000 0.217 696 P C 0.076 177.308 177.300 -0.113 0.000 1.148 696 P CA 1.051 64.026 63.100 -0.209 0.000 0.828 696 P CB -0.106 31.224 31.700 -0.616 0.000 0.783 697 F N 0.417 120.492 119.950 0.208 0.000 2.541 697 F HA 0.324 4.851 4.527 0.000 0.000 0.351 697 F C 1.848 177.866 175.800 0.363 0.000 1.209 697 F CA -0.756 57.377 58.000 0.223 0.000 1.277 697 F CB 0.080 39.217 39.000 0.229 0.000 1.632 697 F HN -0.288 nan 8.300 nan 0.000 0.619 698 R N -0.835 119.871 120.500 0.344 0.000 2.235 698 R HA -0.097 4.243 4.340 -0.000 0.000 0.213 698 R C 0.351 176.861 176.300 0.350 0.000 1.059 698 R CA 0.185 56.441 56.100 0.259 0.000 0.997 698 R CB -0.334 29.958 30.300 -0.013 0.000 0.884 698 R HN 0.432 nan 8.270 nan 0.000 0.462 699 H N 1.266 120.464 119.070 0.213 0.000 3.217 699 H HA -0.052 4.504 4.556 0.000 0.000 0.272 699 H C 1.569 176.939 175.328 0.070 0.000 0.929 699 H CA -0.099 56.029 56.048 0.134 0.000 1.425 699 H CB 0.697 30.552 29.762 0.156 0.000 1.505 699 H HN -0.036 nan 8.280 nan 0.000 0.542 700 V N 2.754 122.575 119.914 -0.155 0.000 2.453 700 V HA -0.294 3.826 4.120 -0.000 0.000 0.252 700 V C 1.641 177.501 176.094 -0.390 0.000 1.068 700 V CA 1.714 63.870 62.300 -0.240 0.000 1.070 700 V CB -0.925 30.739 31.823 -0.266 0.000 0.664 700 V HN 0.537 nan 8.190 nan 0.000 0.461 701 F N -0.381 119.248 119.950 -0.536 0.000 2.220 701 F HA 0.242 4.769 4.527 0.000 0.000 0.290 701 F C 1.929 177.359 175.800 -0.617 0.000 1.080 701 F CA 1.174 58.662 58.000 -0.854 0.000 1.318 701 F CB -0.350 37.694 39.000 -1.594 0.000 1.063 701 F HN 0.201 nan 8.300 nan 0.000 0.498 702 W N -0.480 121.136 121.300 0.526 0.000 3.008 702 W HA 0.419 5.079 4.660 0.000 0.000 0.355 702 W C 1.577 178.242 176.519 0.244 0.000 1.095 702 W CA -0.076 57.421 57.345 0.254 0.000 1.738 702 W CB -0.720 28.801 29.460 0.102 0.000 1.091 702 W HN -0.095 nan 8.180 nan 0.000 0.574 703 G N 1.165 110.193 108.800 0.381 0.000 2.441 703 G HA2 0.342 4.302 3.960 -0.000 0.000 0.258 703 G HA3 0.342 4.302 3.960 -0.000 0.000 0.258 703 G C -0.309 174.766 174.900 0.291 0.000 1.487 703 G CA 0.060 45.380 45.100 0.366 0.000 1.058 703 G HN -0.026 nan 8.290 nan 0.000 0.552 704 S N -1.497 114.390 115.700 0.311 0.000 2.626 704 S HA 0.693 5.163 4.470 -0.000 0.000 0.275 704 S C -0.064 174.680 174.600 0.240 0.000 1.175 704 S CA 0.107 58.440 58.200 0.222 0.000 0.982 704 S CB 1.517 64.906 63.200 0.315 0.000 1.093 704 S HN 1.911 nan 8.310 nan 0.000 0.472 705 G N 1.258 110.091 108.800 0.054 0.000 2.368 705 G HA2 0.251 4.211 3.960 -0.000 0.000 0.302 705 G HA3 0.251 4.211 3.960 -0.000 0.000 0.302 705 G C 0.406 175.310 174.900 0.007 0.000 1.329 705 G CA -0.008 45.188 45.100 0.160 0.000 0.935 705 G HN 1.020 nan 8.290 nan 0.000 0.590 706 S N -0.497 115.288 115.700 0.142 0.000 2.481 706 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 706 S C 1.796 176.413 174.600 0.029 0.000 0.996 706 S CA 1.804 60.041 58.200 0.061 0.000 0.942 706 S CB -0.533 62.712 63.200 0.074 0.000 0.768 706 S HN 1.151 nan 8.310 nan 0.000 0.520 707 H N 0.519 119.587 119.070 -0.003 0.000 2.529 707 H HA 0.140 4.696 4.556 -0.000 0.000 0.277 707 H C 0.237 175.523 175.328 -0.070 0.000 0.999 707 H CA 0.759 56.790 56.048 -0.027 0.000 1.256 707 H CB -1.562 28.203 29.762 0.006 0.000 1.402 707 H HN 0.194 nan 8.280 nan 0.000 0.566 708 T N 2.539 116.728 114.554 -0.607 0.000 2.933 708 T HA -0.025 4.325 4.350 -0.000 0.000 0.306 708 T C 1.493 175.990 174.700 -0.339 0.000 1.045 708 T CA -0.174 61.654 62.100 -0.453 0.000 1.143 708 T CB 0.694 69.365 68.868 -0.329 0.000 1.003 708 T HN 0.084 nan 8.240 nan 0.000 0.540 709 L N 6.401 127.348 121.223 -0.460 0.000 2.005 709 L HA 0.078 4.418 4.340 -0.000 0.000 0.207 709 L C -0.646 176.023 176.870 -0.334 0.000 1.072 709 L CA 1.717 56.194 54.840 -0.605 0.000 0.744 709 L CB -1.410 39.970 42.059 -1.131 0.000 0.895 709 L HN 0.512 nan 8.230 nan 0.000 0.433 710 P HA -0.176 nan 4.420 nan 0.000 0.216 710 P C 1.507 178.776 177.300 -0.051 0.000 1.150 710 P CA 1.889 64.930 63.100 -0.097 0.000 0.843 710 P CB -0.113 31.546 31.700 -0.068 0.000 0.787 711 A N -0.739 122.032 122.820 -0.082 0.000 1.978 711 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 711 A C 2.169 179.757 177.584 0.006 0.000 1.170 711 A CA 1.339 53.351 52.037 -0.041 0.000 0.636 711 A CB -1.650 17.308 19.000 -0.071 0.000 0.810 711 A HN 0.201 nan 8.150 nan 0.000 0.448 712 L N -0.458 120.771 121.223 0.009 0.000 1.976 712 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 712 L C 2.457 179.416 176.870 0.148 0.000 1.071 712 L CA 1.716 56.621 54.840 0.109 0.000 0.746 712 L CB -0.329 41.794 42.059 0.106 0.000 0.890 712 L HN 0.430 nan 8.230 nan 0.000 0.432 713 L N -0.190 121.082 121.223 0.081 0.000 2.012 713 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 713 L C 2.595 179.408 176.870 -0.094 0.000 1.073 713 L CA 1.489 56.282 54.840 -0.079 0.000 0.748 713 L CB -0.770 41.260 42.059 -0.047 0.000 0.891 713 L HN 0.328 nan 8.230 nan 0.000 0.431 714 E N 0.482 120.674 120.200 -0.013 0.000 2.233 714 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 714 E C 1.759 178.377 176.600 0.029 0.000 1.004 714 E CA 1.447 57.850 56.400 0.005 0.000 0.819 714 E CB -0.146 29.562 29.700 0.014 0.000 0.738 714 E HN 0.401 nan 8.360 nan 0.000 0.478 715 N N -1.076 117.666 118.700 0.070 0.000 2.305 715 N HA -0.051 4.689 4.740 -0.000 0.000 0.179 715 N C 1.496 177.123 175.510 0.194 0.000 1.019 715 N CA 0.552 53.695 53.050 0.154 0.000 0.869 715 N CB -0.248 38.356 38.487 0.196 0.000 1.000 715 N HN 0.185 nan 8.380 nan 0.000 0.431 716 L N 1.464 122.700 121.223 0.021 0.000 2.083 716 L HA -0.021 4.319 4.340 -0.000 0.000 0.209 716 L C 1.837 178.491 176.870 -0.361 0.000 1.083 716 L CA 1.614 56.253 54.840 -0.334 0.000 0.752 716 L CB -0.459 41.257 42.059 -0.572 0.000 0.899 716 L HN 0.109 nan 8.230 nan 0.000 0.433 717 K N -0.656 119.604 120.400 -0.233 0.000 2.113 717 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 717 K C 1.923 178.508 176.600 -0.025 0.000 1.047 717 K CA 1.681 57.950 56.287 -0.031 0.000 0.928 717 K CB -0.437 32.084 32.500 0.035 0.000 0.716 717 K HN 0.383 nan 8.250 nan 0.000 0.446 718 L N 0.561 121.772 121.223 -0.019 0.000 2.353 718 L HA -0.120 4.220 4.340 -0.000 0.000 0.220 718 L C 2.417 179.244 176.870 -0.072 0.000 1.133 718 L CA 0.416 55.267 54.840 0.018 0.000 0.798 718 L CB -0.442 41.691 42.059 0.124 0.000 0.922 718 L HN 0.100 nan 8.230 nan 0.000 0.445 719 R N 1.510 121.803 120.500 -0.346 0.000 2.096 719 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 719 R C 2.113 178.258 176.300 -0.258 0.000 1.139 719 R CA 1.727 57.461 56.100 -0.610 0.000 0.952 719 R CB -0.297 29.411 30.300 -0.987 0.000 0.854 719 R HN 0.252 nan 8.270 nan 0.000 0.436 720 K N 0.080 120.384 120.400 -0.160 0.000 2.152 720 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 720 K C 2.021 178.593 176.600 -0.047 0.000 1.048 720 K CA 1.615 57.852 56.287 -0.083 0.000 0.933 720 K CB -0.130 32.344 32.500 -0.044 0.000 0.721 720 K HN 0.378 nan 8.250 nan 0.000 0.447 721 Q N 0.937 120.720 119.800 -0.029 0.000 2.576 721 Q HA -0.165 4.176 4.340 -0.000 0.000 0.218 721 Q C 0.229 176.231 176.000 0.003 0.000 0.983 721 Q CA 0.894 56.696 55.803 -0.002 0.000 0.920 721 Q CB -0.550 28.198 28.738 0.017 0.000 0.973 721 Q HN 0.490 nan 8.270 nan 0.000 0.528 722 N N -0.534 118.160 118.700 -0.010 0.000 2.707 722 N HA -0.356 4.384 4.740 -0.000 0.000 0.245 722 N C -0.347 175.179 175.510 0.026 0.000 1.103 722 N CA 1.899 54.950 53.050 0.002 0.000 0.882 722 N CB -2.055 36.431 38.487 -0.000 0.000 1.160 722 N HN 0.666 nan 8.380 nan 0.000 0.587 723 N N -2.150 116.572 118.700 0.037 0.000 2.431 723 N HA 0.418 5.158 4.740 -0.000 0.000 0.289 723 N C 1.370 176.924 175.510 0.073 0.000 1.277 723 N CA -0.545 52.533 53.050 0.047 0.000 0.972 723 N CB 0.298 38.810 38.487 0.042 0.000 1.143 723 N HN 0.130 nan 8.380 nan 0.000 0.578 724 G N -1.720 107.119 108.800 0.065 0.000 2.880 724 G HA2 0.054 4.014 3.960 -0.000 0.000 0.209 724 G HA3 0.054 4.014 3.960 -0.000 0.000 0.209 724 G C 1.378 176.327 174.900 0.081 0.000 1.157 724 G CA 0.329 45.472 45.100 0.071 0.000 0.779 724 G HN 0.711 nan 8.290 nan 0.000 0.539 725 A N 0.528 123.400 122.820 0.086 0.000 2.042 725 A HA -0.050 4.270 4.320 -0.000 0.000 0.222 725 A C 0.999 178.660 177.584 0.129 0.000 1.167 725 A CA 0.476 52.566 52.037 0.087 0.000 0.649 725 A CB -0.462 18.587 19.000 0.081 0.000 0.809 725 A HN 0.434 nan 8.150 nan 0.000 0.457 726 F N 1.242 121.188 119.950 -0.006 0.000 2.421 726 F HA 0.424 4.951 4.527 -0.000 0.000 0.358 726 F C 0.039 175.841 175.800 0.002 0.000 1.115 726 F CA -1.753 56.237 58.000 -0.016 0.000 1.160 726 F CB 0.338 39.310 39.000 -0.046 0.000 1.123 726 F HN 0.109 nan 8.300 nan 0.000 0.508 727 N N 5.653 124.025 118.700 -0.546 0.000 2.437 727 N HA 0.026 4.766 4.740 -0.000 0.000 0.243 727 N C 0.824 175.804 175.510 -0.884 0.000 1.041 727 N CA 0.147 52.906 53.050 -0.487 0.000 0.940 727 N CB 0.715 39.061 38.487 -0.234 0.000 1.133 727 N HN 0.956 nan 8.380 nan 0.000 0.506 728 E N 2.179 121.920 120.200 -0.765 0.000 2.047 728 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 728 E C 0.708 177.211 176.600 -0.161 0.000 0.987 728 E CA 1.394 57.477 56.400 -0.529 0.000 0.799 728 E CB 0.248 29.904 29.700 -0.074 0.000 0.752 728 E HN 0.617 nan 8.360 nan 0.000 0.449 729 T N 1.851 116.334 114.554 -0.118 0.000 2.759 729 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 729 T C 1.758 176.424 174.700 -0.056 0.000 1.042 729 T CA 1.208 63.277 62.100 -0.053 0.000 1.140 729 T CB -0.301 68.539 68.868 -0.046 0.000 0.864 729 T HN 0.139 nan 8.240 nan 0.000 0.455 730 L N 0.800 121.968 121.223 -0.092 0.000 1.994 730 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 730 L C 2.012 178.869 176.870 -0.020 0.000 1.071 730 L CA 1.648 56.451 54.840 -0.062 0.000 0.745 730 L CB -1.144 40.870 42.059 -0.076 0.000 0.892 730 L HN 0.224 nan 8.230 nan 0.000 0.431 731 F N 0.622 120.473 119.950 -0.165 0.000 2.025 731 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 731 F C 2.656 178.450 175.800 -0.009 0.000 1.132 731 F CA 1.948 59.921 58.000 -0.045 0.000 1.191 731 F CB -0.554 38.484 39.000 0.064 0.000 0.963 731 F HN 0.057 nan 8.300 nan 0.000 0.481 732 R N 0.583 121.095 120.500 0.020 0.000 2.189 732 R HA -0.282 4.058 4.340 -0.000 0.000 0.252 732 R C 1.930 178.115 176.300 -0.191 0.000 1.134 732 R CA 2.091 58.143 56.100 -0.081 0.000 0.954 732 R CB -1.436 28.877 30.300 0.022 0.000 0.890 732 R HN 0.453 nan 8.270 nan 0.000 0.443 733 N N 0.743 119.359 118.700 -0.140 0.000 2.062 733 N HA -0.134 4.606 4.740 -0.000 0.000 0.191 733 N C 1.919 177.316 175.510 -0.189 0.000 1.042 733 N CA 1.091 54.057 53.050 -0.141 0.000 0.845 733 N CB -0.459 37.971 38.487 -0.094 0.000 1.024 733 N HN 0.354 nan 8.380 nan 0.000 0.424 734 Q N 0.973 120.660 119.800 -0.187 0.000 2.065 734 Q HA -0.218 4.122 4.340 -0.000 0.000 0.213 734 Q C 2.236 178.077 176.000 -0.265 0.000 1.012 734 Q CA 1.640 57.329 55.803 -0.190 0.000 0.876 734 Q CB -0.443 28.205 28.738 -0.149 0.000 0.954 734 Q HN 0.365 nan 8.270 nan 0.000 0.413 735 L N -0.025 120.925 121.223 -0.455 0.000 1.976 735 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 735 L C 2.364 179.078 176.870 -0.260 0.000 1.071 735 L CA 1.565 56.164 54.840 -0.401 0.000 0.746 735 L CB -0.584 41.093 42.059 -0.635 0.000 0.890 735 L HN 0.291 nan 8.230 nan 0.000 0.432 736 A N 0.214 122.885 122.820 -0.248 0.000 1.881 736 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 736 A C 2.162 179.657 177.584 -0.148 0.000 1.215 736 A CA 2.542 54.469 52.037 -0.184 0.000 0.648 736 A CB -1.202 17.722 19.000 -0.128 0.000 0.832 736 A HN 0.555 nan 8.150 nan 0.000 0.455 737 L N -1.247 119.871 121.223 -0.176 0.000 2.005 737 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 737 L C 3.094 179.873 176.870 -0.153 0.000 1.072 737 L CA 1.039 55.728 54.840 -0.250 0.000 0.744 737 L CB -0.723 41.119 42.059 -0.361 0.000 0.895 737 L HN 0.446 nan 8.230 nan 0.000 0.433 738 A N -0.413 122.318 122.820 -0.148 0.000 2.093 738 A HA -0.242 4.078 4.320 -0.000 0.000 0.222 738 A C 2.289 179.795 177.584 -0.129 0.000 1.162 738 A CA 2.446 54.396 52.037 -0.144 0.000 0.655 738 A CB -0.904 17.979 19.000 -0.194 0.000 0.805 738 A HN 0.475 nan 8.150 nan 0.000 0.461 739 T N -1.769 112.683 114.554 -0.169 0.000 2.735 739 T HA -0.144 4.206 4.350 -0.000 0.000 0.256 739 T C 1.467 176.032 174.700 -0.225 0.000 1.042 739 T CA 1.276 63.232 62.100 -0.239 0.000 1.147 739 T CB -0.393 68.222 68.868 -0.421 0.000 0.865 739 T HN 0.748 nan 8.240 nan 0.000 0.421 740 W N 1.737 123.012 121.300 -0.042 0.000 2.387 740 W HA -0.117 4.543 4.660 -0.000 0.000 0.272 740 W C 2.602 179.171 176.519 0.084 0.000 1.224 740 W CA 0.673 58.027 57.345 0.014 0.000 1.210 740 W CB -0.859 28.579 29.460 -0.037 0.000 1.125 740 W HN 0.245 nan 8.180 nan 0.000 0.572 741 T N 0.845 115.537 114.554 0.231 0.000 2.701 741 T HA -0.196 4.154 4.350 -0.000 0.000 0.263 741 T C 1.697 176.425 174.700 0.048 0.000 1.040 741 T CA 1.549 63.756 62.100 0.178 0.000 1.147 741 T CB -0.470 68.457 68.868 0.099 0.000 0.865 741 T HN 0.067 nan 8.240 nan 0.000 0.426 742 I N 0.896 121.478 120.570 0.021 0.000 2.179 742 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 742 I C 2.997 179.131 176.117 0.028 0.000 1.088 742 I CA 1.104 62.405 61.300 0.001 0.000 1.357 742 I CB -0.445 37.571 38.000 0.027 0.000 1.051 742 I HN 0.158 nan 8.210 nan 0.000 0.409 743 Q N 1.168 121.011 119.800 0.071 0.000 2.014 743 Q HA -0.207 4.133 4.340 -0.000 0.000 0.207 743 Q C 2.273 178.367 176.000 0.158 0.000 0.993 743 Q CA 2.380 58.266 55.803 0.138 0.000 0.850 743 Q CB -1.042 27.820 28.738 0.207 0.000 0.916 743 Q HN 0.569 nan 8.270 nan 0.000 0.417 744 G N 0.311 109.214 108.800 0.171 0.000 2.476 744 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 744 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 744 G C 1.548 176.408 174.900 -0.067 0.000 1.164 744 G CA 1.860 47.008 45.100 0.080 0.000 0.768 744 G HN 0.545 nan 8.290 nan 0.000 0.560 745 A N 0.976 123.715 122.820 -0.135 0.000 1.986 745 A HA 0.134 4.454 4.320 -0.000 0.000 0.220 745 A C 2.771 180.336 177.584 -0.030 0.000 1.171 745 A CA 2.515 54.385 52.037 -0.280 0.000 0.640 745 A CB -0.685 17.877 19.000 -0.730 0.000 0.811 745 A HN 0.848 nan 8.150 nan 0.000 0.451 746 A N 0.322 123.228 122.820 0.144 0.000 1.840 746 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 746 A C 1.818 179.380 177.584 -0.037 0.000 1.198 746 A CA 1.473 53.594 52.037 0.141 0.000 0.608 746 A CB -0.651 18.478 19.000 0.214 0.000 0.839 746 A HN 0.524 nan 8.150 nan 0.000 0.443 747 N N 0.701 119.399 118.700 -0.005 0.000 2.334 747 N HA -0.124 4.616 4.740 -0.000 0.000 0.187 747 N C 1.559 176.989 175.510 -0.134 0.000 1.016 747 N CA 1.438 54.472 53.050 -0.027 0.000 0.879 747 N CB -0.437 38.078 38.487 0.047 0.000 0.965 747 N HN 0.531 nan 8.380 nan 0.000 0.438 748 A N 0.114 122.787 122.820 -0.244 0.000 1.984 748 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 748 A C 1.776 179.160 177.584 -0.332 0.000 1.173 748 A CA 0.184 51.981 52.037 -0.400 0.000 0.673 748 A CB -0.185 18.253 19.000 -0.936 0.000 0.830 748 A HN 0.185 nan 8.150 nan 0.000 0.453 749 L N -0.671 120.379 121.223 -0.288 0.000 2.645 749 L HA 0.259 4.599 4.340 -0.000 0.000 0.235 749 L C 0.685 177.396 176.870 -0.266 0.000 1.150 749 L CA 0.967 55.645 54.840 -0.271 0.000 0.911 749 L CB -0.895 40.974 42.059 -0.317 0.000 1.077 749 L HN 0.547 nan 8.230 nan 0.000 0.438 750 S N -1.573 113.994 115.700 -0.223 0.000 4.146 750 S HA 0.024 4.494 4.470 -0.000 0.000 0.628 750 S C 0.816 175.330 174.600 -0.143 0.000 1.860 750 S CA 0.322 58.406 58.200 -0.194 0.000 4.099 750 S CB -1.711 61.365 63.200 -0.206 0.000 0.215 750 S HN 1.644 nan 8.310 nan 0.000 0.512 751 G N 1.609 110.339 108.800 -0.118 0.000 2.132 751 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.234 751 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.234 751 G C 0.153 175.025 174.900 -0.047 0.000 0.989 751 G CA 1.036 46.100 45.100 -0.058 0.000 0.676 751 G HN 1.668 nan 8.290 nan 0.000 0.522 752 D N -1.992 118.356 120.400 -0.088 0.000 3.041 752 D HA -0.181 4.459 4.640 -0.000 0.000 0.220 752 D C 0.918 177.145 176.300 -0.123 0.000 1.157 752 D CA 1.463 55.410 54.000 -0.089 0.000 0.876 752 D CB -1.699 39.078 40.800 -0.038 0.000 1.107 752 D HN 1.714 nan 8.370 nan 0.000 0.422 753 V N -2.126 117.687 119.914 -0.168 0.000 3.570 753 V HA -0.312 3.808 4.120 -0.000 0.000 0.510 753 V C 0.901 176.955 176.094 -0.067 0.000 0.682 753 V CA 0.781 62.897 62.300 -0.307 0.000 2.063 753 V CB -0.616 30.846 31.823 -0.603 0.000 2.487 753 V HN 0.590 nan 8.190 nan 0.000 0.510 754 W N 0.080 121.374 121.300 -0.009 0.000 5.770 754 W HA -0.185 4.475 4.660 0.000 0.000 0.389 754 W C 0.516 177.043 176.519 0.014 0.000 1.469 754 W CA 0.272 57.620 57.345 0.005 0.000 0.975 754 W CB -1.123 28.340 29.460 0.006 0.000 2.622 754 W HN 0.917 nan 8.180 nan 0.000 1.500 755 D N 1.027 121.567 120.400 0.234 0.000 2.982 755 D HA 0.004 4.644 4.640 -0.000 0.000 0.222 755 D C 0.582 176.972 176.300 0.150 0.000 1.124 755 D CA 0.890 54.978 54.000 0.148 0.000 0.810 755 D CB 0.342 41.211 40.800 0.116 0.000 1.152 755 D HN 0.037 nan 8.370 nan 0.000 0.538 756 I N 2.221 122.863 120.570 0.121 0.000 3.585 756 I HA 0.087 4.257 4.170 -0.000 0.000 0.325 756 I C 0.128 176.297 176.117 0.087 0.000 1.370 756 I CA -0.222 61.138 61.300 0.101 0.000 1.298 756 I CB -0.529 37.523 38.000 0.087 0.000 1.387 756 I HN 0.196 nan 8.210 nan 0.000 0.466 757 D N -0.815 119.643 120.400 0.097 0.000 3.110 757 D HA 0.024 4.664 4.640 -0.000 0.000 0.254 757 D C 1.051 177.428 176.300 0.129 0.000 1.283 757 D CA -0.396 53.661 54.000 0.095 0.000 0.944 757 D CB -0.665 40.178 40.800 0.072 0.000 1.066 757 D HN 0.498 nan 8.370 nan 0.000 0.496 758 N N -0.157 118.609 118.700 0.111 0.000 2.364 758 N HA -0.265 4.475 4.740 -0.000 0.000 0.183 758 N C 1.352 176.934 175.510 0.121 0.000 1.022 758 N CA 0.339 53.455 53.050 0.110 0.000 0.883 758 N CB 0.137 38.666 38.487 0.071 0.000 0.965 758 N HN 0.183 nan 8.380 nan 0.000 0.438 759 E N 1.177 121.449 120.200 0.120 0.000 1.989 759 E HA -0.092 4.258 4.350 -0.000 0.000 0.214 759 E C 0.309 177.010 176.600 0.168 0.000 0.915 759 E CA 0.075 56.542 56.400 0.112 0.000 1.012 759 E CB -0.683 29.075 29.700 0.097 0.000 0.865 759 E HN 0.209 nan 8.360 nan 0.000 0.577 760 F N 0.000 119.952 119.950 0.003 0.000 2.286 760 F HA 0.000 4.527 4.527 0.000 0.000 0.279 760 F CA 0.000 57.986 58.000 -0.023 0.000 1.383 760 F CB 0.000 38.987 39.000 -0.021 0.000 1.145 760 F HN 0.000 nan 8.300 nan 0.000 0.574