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 1z4w_1_A DATA FIRST_RESID 118 DATA SEQUENCE INDNRYINGI NQFYFSIAEG RNLTLGPLLN MPSFIPTATT PEGcTRIPSF DATA SEQUENCE SLTKTHWcYT HNVILNGcQD HVSSNQFVSM GIIEPTSAGF PFFRTLKTLY DATA SEQUENCE LSDGVNRKSc SISTVPGGcM MYcFVSTQPE RDDYFSAAPP EQRIIIMYYN DATA SEQUENCE DTIVERIINP PGVLDVWATL NPGTGSGVYY LGWVLFPIYG GVIKGTSLWN DATA SEQUENCE NQANKYFIPQ MVAALCSQNQ ATQVQNAKSS YYSSWFGNRM IQSGILAcPL DATA SEQUENCE RQDLTNEcLV LPFSNDQVLM GAEGRLYMYG DSVYYYQRSN SWWPMTMLYK DATA SEQUENCE VTITFTNGQP SAISAQNVPT QQVPRPGTGD cSATNRCPGF cLTGVYADAW DATA SEQUENCE LLTNPSSTST FGSEATFTGS YLNTATQRIN PTMYIANNTQ IISSQQFGSS DATA SEQUENCE GQEAAYGHTT cFRDTGSVMV YcIYIIELSS SLLGQFQIVP FIRQVTLS 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 118 I HA 0.000 nan 4.170 nan 0.000 0.288 118 I C 0.000 176.066 176.117 -0.086 0.000 1.063 118 I CA 0.000 61.215 61.300 -0.141 0.000 1.566 118 I CB 0.000 37.943 38.000 -0.096 0.000 1.214 119 N N 3.780 122.450 118.700 -0.050 0.000 2.374 119 N HA 0.041 4.781 4.740 -0.000 0.000 0.241 119 N C -0.829 174.704 175.510 0.039 0.000 1.262 119 N CA 0.221 53.270 53.050 -0.002 0.000 0.880 119 N CB 0.374 38.874 38.487 0.022 0.000 1.105 119 N HN 0.607 nan 8.380 nan 0.000 0.438 120 D N -0.152 120.309 120.400 0.101 0.000 2.378 120 D HA 0.001 4.641 4.640 -0.000 0.000 0.238 120 D C 0.991 177.280 176.300 -0.018 0.000 1.180 120 D CA -0.133 53.892 54.000 0.041 0.000 0.895 120 D CB 0.566 41.395 40.800 0.049 0.000 1.192 120 D HN 0.260 nan 8.370 nan 0.000 0.438 121 N N 1.336 120.001 118.700 -0.057 0.000 2.443 121 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 121 N C 1.160 176.596 175.510 -0.123 0.000 1.037 121 N CA 0.555 53.569 53.050 -0.061 0.000 0.896 121 N CB 0.010 38.468 38.487 -0.048 0.000 0.959 121 N HN 0.389 nan 8.380 nan 0.000 0.442 122 R N -0.564 119.764 120.500 -0.287 0.000 2.280 122 R HA -0.031 4.309 4.340 -0.000 0.000 0.207 122 R C 0.566 176.552 176.300 -0.524 0.000 1.043 122 R CA 0.775 56.591 56.100 -0.473 0.000 1.006 122 R CB 0.087 29.941 30.300 -0.743 0.000 0.885 122 R HN 0.406 nan 8.270 nan 0.000 0.467 123 Y N -0.941 119.384 120.300 0.042 0.000 2.452 123 Y HA 0.131 4.681 4.550 -0.000 0.000 0.262 123 Y C 1.890 177.818 175.900 0.047 0.000 1.089 123 Y CA -0.701 57.433 58.100 0.057 0.000 1.262 123 Y CB -0.348 38.102 38.460 -0.016 0.000 1.236 123 Y HN -0.105 nan 8.280 nan 0.000 0.512 124 I N -1.012 119.642 120.570 0.141 0.000 2.502 124 I HA -0.269 3.901 4.170 -0.000 0.000 0.258 124 I C 0.422 176.603 176.117 0.108 0.000 1.172 124 I CA 2.116 63.475 61.300 0.100 0.000 1.430 124 I CB -0.378 37.655 38.000 0.054 0.000 1.086 124 I HN 0.162 nan 8.210 nan 0.000 0.440 125 N N 0.516 119.285 118.700 0.115 0.000 2.234 125 N HA 0.257 4.997 4.740 -0.000 0.000 0.227 125 N C 0.934 176.549 175.510 0.175 0.000 1.151 125 N CA 0.297 53.420 53.050 0.122 0.000 0.865 125 N CB 1.000 39.539 38.487 0.087 0.000 1.066 125 N HN 0.483 nan 8.380 nan 0.000 0.515 126 G N 0.362 109.300 108.800 0.230 0.000 4.100 126 G HA2 0.344 4.304 3.960 -0.000 0.000 0.294 126 G HA3 0.344 4.304 3.960 -0.000 0.000 0.294 126 G C -0.176 174.984 174.900 0.433 0.000 1.040 126 G CA -0.113 45.173 45.100 0.310 0.000 0.829 126 G HN 0.069 nan 8.290 nan 0.000 0.505 127 I N 0.221 121.013 120.570 0.369 0.000 2.562 127 I HA 0.288 4.458 4.170 -0.000 0.000 0.301 127 I C -0.412 175.914 176.117 0.348 0.000 1.003 127 I CA -1.019 60.510 61.300 0.382 0.000 1.127 127 I CB 1.710 39.842 38.000 0.220 0.000 1.304 127 I HN -0.059 nan 8.210 nan 0.000 0.446 128 N N 4.409 123.360 118.700 0.419 0.000 2.671 128 N HA -0.200 4.540 4.740 -0.000 0.000 0.261 128 N C -0.981 174.535 175.510 0.010 0.000 1.053 128 N CA 0.824 54.000 53.050 0.210 0.000 0.732 128 N CB -0.685 37.855 38.487 0.089 0.000 0.887 128 N HN 0.622 nan 8.380 nan 0.000 0.546 129 Q N -1.018 118.724 119.800 -0.096 0.000 2.648 129 Q HA 0.537 4.877 4.340 -0.000 0.000 0.300 129 Q C -0.959 174.612 176.000 -0.716 0.000 0.954 129 Q CA -0.732 54.858 55.803 -0.354 0.000 0.757 129 Q CB 0.955 29.592 28.738 -0.169 0.000 1.482 129 Q HN 0.136 nan 8.270 nan 0.000 0.437 130 F N 1.484 121.243 119.950 -0.318 0.000 2.404 130 F HA 0.250 4.777 4.527 -0.000 0.000 0.358 130 F C 0.245 175.833 175.800 -0.354 0.000 1.120 130 F CA -0.199 57.601 58.000 -0.334 0.000 1.144 130 F CB 0.333 39.201 39.000 -0.220 0.000 1.133 130 F HN 0.554 nan 8.300 nan 0.000 0.495 131 Y N 1.523 121.916 120.300 0.155 0.000 2.420 131 Y HA 0.143 4.693 4.550 0.000 0.000 0.292 131 Y C 0.313 175.933 175.900 -0.466 0.000 1.119 131 Y CA 0.104 58.067 58.100 -0.228 0.000 1.229 131 Y CB -0.302 37.879 38.460 -0.464 0.000 1.026 131 Y HN 0.206 nan 8.280 nan 0.000 0.554 132 F N -0.932 119.170 119.950 0.252 0.000 2.561 132 F HA 0.461 4.988 4.527 -0.000 0.000 0.321 132 F C 0.473 176.319 175.800 0.076 0.000 1.065 132 F CA -1.948 56.142 58.000 0.150 0.000 0.934 132 F CB 1.122 40.199 39.000 0.129 0.000 1.215 132 F HN -0.336 nan 8.300 nan 0.000 0.471 133 S N 1.875 117.734 115.700 0.266 0.000 2.632 133 S HA 0.323 4.793 4.470 -0.000 0.000 0.267 133 S C 1.175 175.825 174.600 0.084 0.000 1.276 133 S CA -0.740 57.534 58.200 0.123 0.000 0.998 133 S CB 0.614 63.873 63.200 0.099 0.000 0.953 133 S HN 0.469 nan 8.310 nan 0.000 0.547 134 I N 1.204 121.785 120.570 0.019 0.000 2.208 134 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 134 I C 2.837 178.954 176.117 -0.001 0.000 1.097 134 I CA 1.930 63.225 61.300 -0.009 0.000 1.363 134 I CB -2.406 35.574 38.000 -0.033 0.000 1.051 134 I HN 0.862 nan 8.210 nan 0.000 0.413 135 A N 0.731 123.557 122.820 0.010 0.000 1.902 135 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 135 A C 2.251 179.833 177.584 -0.004 0.000 1.181 135 A CA 1.538 53.577 52.037 0.003 0.000 0.623 135 A CB -0.615 18.392 19.000 0.012 0.000 0.818 135 A HN 0.501 nan 8.150 nan 0.000 0.443 136 E N -0.622 119.591 120.200 0.021 0.000 2.106 136 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 136 E C 2.064 178.595 176.600 -0.116 0.000 0.984 136 E CA 0.589 56.977 56.400 -0.019 0.000 0.806 136 E CB -0.404 29.352 29.700 0.092 0.000 0.750 136 E HN 0.612 nan 8.360 nan 0.000 0.458 137 G N 1.523 110.292 108.800 -0.052 0.000 2.485 137 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.221 137 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.221 137 G C 1.513 176.350 174.900 -0.105 0.000 1.115 137 G CA 0.569 45.622 45.100 -0.079 0.000 0.751 137 G HN 0.154 nan 8.290 nan 0.000 0.567 138 R N -0.179 120.271 120.500 -0.084 0.000 2.236 138 R HA 0.058 4.398 4.340 -0.000 0.000 0.208 138 R C 0.561 176.806 176.300 -0.092 0.000 1.036 138 R CA 0.586 56.639 56.100 -0.078 0.000 1.001 138 R CB 0.086 30.353 30.300 -0.055 0.000 0.896 138 R HN 0.178 nan 8.270 nan 0.000 0.464 139 N N 0.600 119.228 118.700 -0.120 0.000 2.458 139 N HA 0.169 4.909 4.740 -0.000 0.000 0.274 139 N C -0.837 174.569 175.510 -0.173 0.000 1.242 139 N CA 0.096 53.073 53.050 -0.121 0.000 0.904 139 N CB 0.744 39.174 38.487 -0.096 0.000 1.206 139 N HN 0.069 nan 8.380 nan 0.000 0.510 140 L N -0.088 121.015 121.223 -0.199 0.000 2.309 140 L HA 0.519 4.859 4.340 -0.000 0.000 0.282 140 L C 0.600 177.383 176.870 -0.145 0.000 1.036 140 L CA -0.278 54.419 54.840 -0.237 0.000 0.806 140 L CB 1.934 43.805 42.059 -0.314 0.000 1.220 140 L HN -0.091 nan 8.230 nan 0.000 0.429 141 T N 2.613 117.092 114.554 -0.126 0.000 2.883 141 T HA 0.549 4.899 4.350 -0.000 0.000 0.301 141 T C -0.585 174.072 174.700 -0.072 0.000 1.158 141 T CA -0.565 61.485 62.100 -0.084 0.000 1.007 141 T CB 1.194 70.019 68.868 -0.072 0.000 1.186 141 T HN 0.332 nan 8.240 nan 0.000 0.499 142 L N 2.330 123.518 121.223 -0.059 0.000 2.436 142 L HA 0.617 4.957 4.340 -0.000 0.000 0.265 142 L C 1.269 178.105 176.870 -0.057 0.000 1.168 142 L CA -0.558 54.248 54.840 -0.058 0.000 0.815 142 L CB 0.663 42.676 42.059 -0.077 0.000 1.109 142 L HN 0.835 nan 8.230 nan 0.000 0.462 143 G N 1.183 109.951 108.800 -0.053 0.000 2.601 143 G HA2 0.638 4.598 3.960 -0.000 0.000 0.317 143 G HA3 0.638 4.598 3.960 -0.000 0.000 0.317 143 G C -2.760 172.114 174.900 -0.044 0.000 1.246 143 G CA -1.235 43.839 45.100 -0.044 0.000 1.012 143 G HN 0.329 nan 8.290 nan 0.000 0.494 144 P HA 0.226 nan 4.420 nan 0.000 0.272 144 P C -0.175 177.101 177.300 -0.040 0.000 1.230 144 P CA -0.366 62.716 63.100 -0.031 0.000 0.788 144 P CB 0.630 32.323 31.700 -0.012 0.000 0.949 145 L N 1.411 122.612 121.223 -0.037 0.000 2.426 145 L HA 0.209 4.549 4.340 -0.000 0.000 0.271 145 L C 0.368 177.197 176.870 -0.070 0.000 1.169 145 L CA -0.053 54.769 54.840 -0.031 0.000 0.836 145 L CB -0.188 41.879 42.059 0.012 0.000 1.112 145 L HN 0.165 nan 8.230 nan 0.000 0.465 146 L N 2.404 123.531 121.223 -0.160 0.000 2.325 146 L HA 0.375 4.715 4.340 -0.000 0.000 0.278 146 L C -0.212 176.490 176.870 -0.280 0.000 1.023 146 L CA -0.655 53.943 54.840 -0.403 0.000 0.811 146 L CB 1.730 43.208 42.059 -0.968 0.000 1.249 146 L HN 0.530 nan 8.230 nan 0.000 0.431 147 N N 4.244 122.856 118.700 -0.147 0.000 2.422 147 N HA 0.528 5.268 4.740 -0.000 0.000 0.264 147 N C -0.883 174.735 175.510 0.180 0.000 1.063 147 N CA -0.299 52.771 53.050 0.034 0.000 0.959 147 N CB 0.647 39.189 38.487 0.092 0.000 1.087 147 N HN 0.550 nan 8.380 nan 0.000 0.483 148 M N 1.367 121.058 119.600 0.151 0.000 2.593 148 M HA 0.665 5.145 4.480 -0.000 0.000 0.290 148 M C -2.738 173.664 176.300 0.171 0.000 1.244 148 M CA -2.015 53.443 55.300 0.264 0.000 0.857 148 M CB 1.795 34.608 32.600 0.356 0.000 1.738 148 M HN 0.143 nan 8.290 nan 0.000 0.461 149 P HA 0.150 nan 4.420 nan 0.000 0.270 149 P C -0.571 176.838 177.300 0.181 0.000 1.242 149 P CA 0.087 63.288 63.100 0.169 0.000 0.768 149 P CB 0.770 32.587 31.700 0.195 0.000 0.820 150 S N 2.795 118.497 115.700 0.003 0.000 2.549 150 S HA 0.073 4.543 4.470 -0.000 0.000 0.286 150 S C 0.667 175.206 174.600 -0.101 0.000 1.314 150 S CA -0.464 57.631 58.200 -0.175 0.000 1.062 150 S CB -0.238 62.773 63.200 -0.315 0.000 0.865 150 S HN 0.409 nan 8.310 nan 0.000 0.498 151 F N 3.552 123.385 119.950 -0.196 0.000 2.641 151 F HA 0.540 5.067 4.527 -0.000 0.000 0.302 151 F C -0.115 175.569 175.800 -0.194 0.000 1.098 151 F CA -0.826 57.104 58.000 -0.116 0.000 1.318 151 F CB -0.132 38.775 39.000 -0.155 0.000 1.035 151 F HN 0.266 nan 8.300 nan 0.000 0.551 152 I N 4.772 124.904 120.570 -0.730 0.000 2.330 152 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 152 I C -2.065 173.855 176.117 -0.328 0.000 1.001 152 I CA -2.303 58.629 61.300 -0.613 0.000 1.193 152 I CB 1.361 38.852 38.000 -0.848 0.000 1.345 152 I HN -0.112 nan 8.210 nan 0.000 0.461 153 P HA 0.086 nan 4.420 nan 0.000 0.269 153 P C -0.306 176.890 177.300 -0.174 0.000 1.209 153 P CA -0.028 62.886 63.100 -0.311 0.000 0.776 153 P CB 0.918 32.217 31.700 -0.667 0.000 0.876 154 T N 1.099 115.559 114.554 -0.156 0.000 2.934 154 T HA 0.529 4.879 4.350 -0.000 0.000 0.283 154 T C 0.182 174.824 174.700 -0.097 0.000 1.005 154 T CA -0.205 61.825 62.100 -0.117 0.000 1.041 154 T CB 0.967 69.774 68.868 -0.103 0.000 1.042 154 T HN 0.527 nan 8.240 nan 0.000 0.505 155 A N 1.014 123.790 122.820 -0.072 0.000 2.332 155 A HA 0.514 4.834 4.320 -0.000 0.000 0.258 155 A C 1.191 178.749 177.584 -0.043 0.000 1.087 155 A CA -0.289 51.719 52.037 -0.049 0.000 0.802 155 A CB 0.103 19.085 19.000 -0.029 0.000 1.042 155 A HN 0.916 nan 8.150 nan 0.000 0.489 156 T N -2.228 112.308 114.554 -0.031 0.000 3.132 156 T HA 0.382 4.731 4.350 -0.000 0.000 0.274 156 T C 0.244 174.935 174.700 -0.015 0.000 1.011 156 T CA 0.462 62.546 62.100 -0.025 0.000 0.899 156 T CB -0.825 68.027 68.868 -0.025 0.000 1.089 156 T HN 1.134 nan 8.240 nan 0.000 0.543 157 T N -1.838 112.709 114.554 -0.011 0.000 2.903 157 T HA 0.557 4.907 4.350 -0.000 0.000 0.299 157 T C -2.683 172.012 174.700 -0.008 0.000 1.093 157 T CA -1.754 60.343 62.100 -0.006 0.000 1.002 157 T CB 2.096 70.966 68.868 0.003 0.000 1.127 157 T HN -0.350 nan 8.240 nan 0.000 0.488 158 P HA -0.079 nan 4.420 nan 0.000 0.218 158 P C 1.341 178.635 177.300 -0.011 0.000 1.149 158 P CA 0.858 63.950 63.100 -0.014 0.000 0.817 158 P CB 0.205 31.897 31.700 -0.014 0.000 0.785 159 E N -0.442 119.757 120.200 -0.001 0.000 2.472 159 E HA 0.076 4.426 4.350 -0.000 0.000 0.196 159 E C 0.999 177.611 176.600 0.019 0.000 1.033 159 E CA 0.076 56.480 56.400 0.007 0.000 0.886 159 E CB -0.792 28.914 29.700 0.010 0.000 0.944 159 E HN -0.022 nan 8.360 nan 0.000 0.492 160 G N 1.373 110.183 108.800 0.017 0.000 2.414 160 G HA2 0.110 4.070 3.960 -0.000 0.000 0.236 160 G HA3 0.110 4.070 3.960 -0.000 0.000 0.236 160 G C -0.630 174.292 174.900 0.036 0.000 1.293 160 G CA 0.097 45.212 45.100 0.025 0.000 0.869 160 G HN 0.301 nan 8.290 nan 0.000 0.556 161 c N 3.114 121.739 118.600 0.043 0.000 2.344 161 c HA 0.755 5.325 4.570 -0.000 0.000 0.326 161 c C 0.427 174.511 174.090 -0.010 0.000 1.201 161 c CA -0.399 55.964 56.329 0.057 0.000 1.410 161 c CB -0.082 42.474 42.510 0.077 0.000 2.070 161 c HN 0.966 nan 8.230 nan 0.000 0.445 162 T N 4.411 118.919 114.554 -0.075 0.000 2.756 162 T HA 0.731 5.081 4.350 -0.000 0.000 0.290 162 T C -0.406 174.094 174.700 -0.333 0.000 0.985 162 T CA -0.553 61.371 62.100 -0.293 0.000 0.955 162 T CB 0.882 69.439 68.868 -0.519 0.000 0.930 162 T HN 0.872 nan 8.240 nan 0.000 0.451 163 R N 1.985 122.291 120.500 -0.324 0.000 2.795 163 R HA 0.513 4.853 4.340 -0.000 0.000 0.268 163 R C -0.707 175.458 176.300 -0.224 0.000 1.041 163 R CA -1.253 54.632 56.100 -0.359 0.000 0.927 163 R CB 1.147 31.179 30.300 -0.446 0.000 1.235 163 R HN 0.578 nan 8.270 nan 0.000 0.463 164 I N 0.441 120.857 120.570 -0.257 0.000 7.356 164 I HA -0.152 4.018 4.170 -0.000 0.000 0.126 164 I C -2.259 173.831 176.117 -0.046 0.000 1.829 164 I CA -0.016 61.222 61.300 -0.104 0.000 2.068 164 I CB -2.153 35.824 38.000 -0.039 0.000 3.620 164 I HN 0.498 nan 8.210 nan 0.000 0.179 165 P HA 0.419 nan 4.420 nan 0.000 0.278 165 P C -0.205 176.891 177.300 -0.341 0.000 1.266 165 P CA -0.267 62.733 63.100 -0.165 0.000 0.807 165 P CB 2.179 33.863 31.700 -0.027 0.000 1.094 166 S N 0.290 115.819 115.700 -0.286 0.000 2.603 166 S HA 0.597 5.067 4.470 -0.000 0.000 0.274 166 S C -1.884 172.794 174.600 0.131 0.000 1.168 166 S CA -0.467 57.684 58.200 -0.080 0.000 0.963 166 S CB 0.047 63.252 63.200 0.008 0.000 1.078 166 S HN 0.347 nan 8.310 nan 0.000 0.477 167 F N 3.369 123.392 119.950 0.122 0.000 2.565 167 F HA 0.778 5.305 4.527 -0.000 0.000 0.313 167 F C -0.521 175.415 175.800 0.226 0.000 1.091 167 F CA -0.311 57.842 58.000 0.256 0.000 0.915 167 F CB 2.171 41.352 39.000 0.302 0.000 1.208 167 F HN 0.451 nan 8.300 nan 0.000 0.453 168 S N 6.203 121.558 115.700 -0.575 0.000 2.677 168 S HA 0.689 5.159 4.470 -0.000 0.000 0.283 168 S C -2.120 172.117 174.600 -0.605 0.000 1.159 168 S CA -0.518 57.438 58.200 -0.406 0.000 1.001 168 S CB 0.988 64.105 63.200 -0.139 0.000 1.032 168 S HN 0.747 nan 8.310 nan 0.000 0.487 169 L N 4.920 125.913 121.223 -0.384 0.000 2.333 169 L HA 0.801 5.141 4.340 -0.000 0.000 0.280 169 L C -0.171 176.640 176.870 -0.099 0.000 1.004 169 L CA 0.396 55.103 54.840 -0.222 0.000 0.820 169 L CB 1.921 43.939 42.059 -0.068 0.000 1.247 169 L HN 0.672 nan 8.230 nan 0.000 0.416 170 T N 2.594 117.056 114.554 -0.152 0.000 2.888 170 T HA 0.259 4.609 4.350 -0.000 0.000 0.288 170 T C 0.789 175.451 174.700 -0.063 0.000 1.063 170 T CA -0.477 61.567 62.100 -0.093 0.000 1.010 170 T CB 1.932 70.705 68.868 -0.159 0.000 1.214 170 T HN 0.718 nan 8.240 nan 0.000 0.533 171 K N 0.177 120.577 120.400 0.000 0.000 2.107 171 K HA -0.203 4.117 4.320 -0.000 0.000 0.211 171 K C 1.930 178.534 176.600 0.007 0.000 1.049 171 K CA 2.651 58.955 56.287 0.028 0.000 0.927 171 K CB -0.396 32.134 32.500 0.050 0.000 0.714 171 K HN 0.726 nan 8.250 nan 0.000 0.452 172 T N -1.938 112.612 114.554 -0.006 0.000 2.976 172 T HA -0.017 4.333 4.350 -0.000 0.000 0.257 172 T C 0.917 175.641 174.700 0.040 0.000 1.051 172 T CA 0.556 62.675 62.100 0.031 0.000 1.141 172 T CB -0.217 68.715 68.868 0.106 0.000 0.881 172 T HN 0.512 nan 8.240 nan 0.000 0.461 173 H N -1.229 117.748 119.070 -0.155 0.000 2.883 173 H HA 0.434 4.990 4.556 -0.000 0.000 0.277 173 H C -1.584 173.655 175.328 -0.148 0.000 1.451 173 H CA -1.499 54.404 56.048 -0.241 0.000 1.157 173 H CB -0.163 29.371 29.762 -0.380 0.000 1.851 173 H HN 0.518 nan 8.280 nan 0.000 0.566 174 W N 0.110 121.288 121.300 -0.205 0.000 2.864 174 W HA 0.681 5.341 4.660 -0.000 0.000 0.343 174 W C -1.714 174.732 176.519 -0.121 0.000 1.109 174 W CA -1.159 56.000 57.345 -0.310 0.000 1.192 174 W CB 1.190 30.507 29.460 -0.239 0.000 1.426 174 W HN 0.504 nan 8.180 nan 0.000 0.529 175 c N 2.573 121.267 118.600 0.157 0.000 2.507 175 c HA 0.706 5.276 4.570 -0.000 0.000 0.319 175 c C -0.960 173.421 174.090 0.484 0.000 1.208 175 c CA -0.299 56.178 56.329 0.248 0.000 1.619 175 c CB 0.892 43.450 42.510 0.079 0.000 2.230 175 c HN 0.637 nan 8.230 nan 0.000 0.492 176 Y N 0.918 121.509 120.300 0.485 0.000 2.534 176 Y HA 0.748 5.298 4.550 -0.000 0.000 0.345 176 Y C -0.261 175.827 175.900 0.315 0.000 1.031 176 Y CA -0.100 58.322 58.100 0.537 0.000 1.022 176 Y CB 2.091 41.040 38.460 0.816 0.000 1.292 176 Y HN 0.707 nan 8.280 nan 0.000 0.459 177 T N 5.031 119.053 114.554 -0.887 0.000 2.886 177 T HA 0.499 4.849 4.350 -0.000 0.000 0.330 177 T C -2.114 172.214 174.700 -0.620 0.000 1.488 177 T CA -0.481 61.276 62.100 -0.573 0.000 1.054 177 T CB 0.769 69.514 68.868 -0.206 0.000 1.348 177 T HN 1.008 nan 8.240 nan 0.000 0.489 178 H N 1.885 120.845 119.070 -0.183 0.000 3.014 178 H HA 0.513 5.069 4.556 -0.000 0.000 0.337 178 H C -1.320 174.027 175.328 0.032 0.000 1.320 178 H CA -1.047 54.946 56.048 -0.091 0.000 1.128 178 H CB 1.307 31.057 29.762 -0.021 0.000 1.862 178 H HN 0.534 nan 8.280 nan 0.000 0.536 179 N N 1.177 120.016 118.700 0.232 0.000 2.498 179 N HA 0.276 5.016 4.740 -0.000 0.000 0.287 179 N C -1.157 174.454 175.510 0.167 0.000 1.097 179 N CA -0.283 52.861 53.050 0.156 0.000 0.973 179 N CB 1.893 40.398 38.487 0.029 0.000 1.153 179 N HN 0.359 nan 8.380 nan 0.000 0.472 180 V N 4.534 124.561 119.914 0.187 0.000 2.540 180 V HA 0.518 4.638 4.120 -0.000 0.000 0.302 180 V C -0.056 176.099 176.094 0.103 0.000 1.035 180 V CA -0.670 61.731 62.300 0.169 0.000 0.873 180 V CB 1.578 33.599 31.823 0.330 0.000 0.992 180 V HN 0.529 nan 8.190 nan 0.000 0.428 181 I N 4.695 125.305 120.570 0.066 0.000 2.436 181 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 181 I C 0.911 177.060 176.117 0.054 0.000 1.010 181 I CA -0.557 60.772 61.300 0.048 0.000 1.098 181 I CB 2.310 40.329 38.000 0.030 0.000 1.266 181 I HN 0.522 nan 8.210 nan 0.000 0.434 182 L N 4.281 125.536 121.223 0.053 0.000 2.046 182 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 182 L C 0.059 176.950 176.870 0.035 0.000 1.077 182 L CA 1.557 56.426 54.840 0.049 0.000 0.747 182 L CB -0.430 41.657 42.059 0.047 0.000 0.896 182 L HN 0.669 nan 8.230 nan 0.000 0.432 183 N N -0.521 118.196 118.700 0.029 0.000 2.504 183 N HA 0.524 5.264 4.740 -0.000 0.000 0.280 183 N C -0.162 175.366 175.510 0.030 0.000 1.052 183 N CA 0.281 53.346 53.050 0.025 0.000 0.887 183 N CB 1.776 40.273 38.487 0.018 0.000 1.323 183 N HN 0.230 nan 8.380 nan 0.000 0.509 184 G N 0.284 109.106 108.800 0.037 0.000 2.860 184 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.553 184 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.553 184 G C 0.093 175.031 174.900 0.063 0.000 1.439 184 G CA -0.567 44.563 45.100 0.050 0.000 0.879 184 G HN 0.672 nan 8.290 nan 0.000 0.545 185 c N 0.919 119.571 118.600 0.086 0.000 2.525 185 c HA 0.535 5.105 4.570 -0.000 0.000 0.313 185 c C 0.735 174.866 174.090 0.070 0.000 1.311 185 c CA 0.202 56.582 56.329 0.085 0.000 1.725 185 c CB -1.206 41.386 42.510 0.136 0.000 1.926 185 c HN 0.719 nan 8.230 nan 0.000 0.595 186 Q N 1.206 121.045 119.800 0.064 0.000 2.433 186 Q HA 0.602 4.942 4.340 -0.000 0.000 0.279 186 Q C -1.128 174.897 176.000 0.041 0.000 1.105 186 Q CA 0.127 55.972 55.803 0.070 0.000 0.815 186 Q CB 1.246 30.034 28.738 0.083 0.000 1.403 186 Q HN 0.305 nan 8.270 nan 0.000 0.435 187 D N 1.017 121.440 120.400 0.038 0.000 3.013 187 D HA -0.070 4.570 4.640 -0.000 0.000 0.115 187 D C -1.362 174.943 176.300 0.010 0.000 0.864 187 D CA -0.116 53.869 54.000 -0.025 0.000 1.750 187 D CB -0.416 40.372 40.800 -0.019 0.000 2.537 187 D HN 0.868 nan 8.370 nan 0.000 0.873 188 H N 2.057 121.145 119.070 0.030 0.000 2.533 188 H HA 0.488 5.044 4.556 0.000 0.000 0.281 188 H C -0.200 175.132 175.328 0.007 0.000 1.238 188 H CA -0.423 55.638 56.048 0.022 0.000 1.024 188 H CB 0.411 30.203 29.762 0.049 0.000 1.604 188 H HN 0.076 nan 8.280 nan 0.000 0.531 189 V N -0.509 119.382 119.914 -0.038 0.000 3.151 189 V HA 0.117 4.237 4.120 -0.000 0.000 0.235 189 V C 0.426 176.504 176.094 -0.027 0.000 1.501 189 V CA 0.303 62.587 62.300 -0.027 0.000 1.211 189 V CB 1.224 32.996 31.823 -0.085 0.000 1.049 189 V HN 0.375 nan 8.190 nan 0.000 0.455 190 S N 0.161 115.838 115.700 -0.037 0.000 2.548 190 S HA 0.755 5.225 4.470 -0.000 0.000 0.276 190 S C -0.914 173.667 174.600 -0.031 0.000 1.129 190 S CA 0.275 58.453 58.200 -0.036 0.000 0.931 190 S CB 1.802 64.984 63.200 -0.031 0.000 1.068 190 S HN 0.753 nan 8.310 nan 0.000 0.480 191 S N 3.563 119.237 115.700 -0.045 0.000 2.578 191 S HA 0.613 5.083 4.470 -0.000 0.000 0.272 191 S C -1.964 172.590 174.600 -0.076 0.000 1.145 191 S CA -0.992 57.186 58.200 -0.036 0.000 0.835 191 S CB 1.180 64.361 63.200 -0.033 0.000 1.104 191 S HN 0.587 nan 8.310 nan 0.000 0.458 192 N N 0.609 119.267 118.700 -0.071 0.000 2.381 192 N HA 0.612 5.352 4.740 -0.000 0.000 0.294 192 N C -1.403 174.072 175.510 -0.058 0.000 1.216 192 N CA -0.519 52.407 53.050 -0.208 0.000 0.803 192 N CB 1.739 39.907 38.487 -0.531 0.000 1.372 192 N HN 0.764 nan 8.380 nan 0.000 0.500 193 Q N 0.597 120.345 119.800 -0.086 0.000 2.310 193 Q HA 0.422 4.762 4.340 -0.000 0.000 0.270 193 Q C -1.817 174.298 176.000 0.192 0.000 1.025 193 Q CA -0.549 55.294 55.803 0.068 0.000 0.772 193 Q CB 1.039 29.762 28.738 -0.024 0.000 1.253 193 Q HN 0.498 nan 8.270 nan 0.000 0.450 194 F N 4.495 124.538 119.950 0.154 0.000 2.410 194 F HA 0.666 5.193 4.527 -0.000 0.000 0.348 194 F C -1.137 174.652 175.800 -0.017 0.000 1.106 194 F CA -0.384 57.692 58.000 0.127 0.000 1.163 194 F CB 0.740 39.699 39.000 -0.068 0.000 1.129 194 F HN 0.371 nan 8.300 nan 0.000 0.516 195 V N 4.946 124.458 119.914 -0.669 0.000 2.735 195 V HA 0.630 4.750 4.120 -0.000 0.000 0.310 195 V C -0.695 175.026 176.094 -0.623 0.000 1.061 195 V CA -0.632 61.405 62.300 -0.439 0.000 0.913 195 V CB 1.835 33.525 31.823 -0.222 0.000 1.005 195 V HN 0.828 nan 8.190 nan 0.000 0.428 196 S N 4.755 120.376 115.700 -0.133 0.000 2.556 196 S HA 0.909 5.379 4.470 -0.000 0.000 0.271 196 S C -1.048 173.635 174.600 0.139 0.000 1.135 196 S CA -0.671 57.574 58.200 0.075 0.000 0.858 196 S CB 1.638 65.169 63.200 0.552 0.000 1.114 196 S HN 0.872 nan 8.310 nan 0.000 0.468 197 M N 2.371 121.872 119.600 -0.165 0.000 2.465 197 M HA 0.905 5.385 4.480 -0.000 0.000 0.284 197 M C -0.310 175.352 176.300 -1.064 0.000 1.212 197 M CA -0.627 54.299 55.300 -0.623 0.000 0.910 197 M CB 1.461 33.898 32.600 -0.271 0.000 1.725 197 M HN 0.854 nan 8.290 nan 0.000 0.477 198 G N 1.699 109.365 108.800 -1.891 0.000 2.500 198 G HA2 0.670 4.630 3.960 -0.000 0.000 0.299 198 G HA3 0.670 4.630 3.960 -0.000 0.000 0.299 198 G C -1.768 172.397 174.900 -1.224 0.000 1.242 198 G CA -0.474 43.845 45.100 -1.302 0.000 0.859 198 G HN 1.263 nan 8.290 nan 0.000 0.481 199 I N -2.458 117.835 120.570 -0.460 0.000 3.322 199 I HA 0.817 4.987 4.170 -0.000 0.000 0.313 199 I C -1.192 174.871 176.117 -0.091 0.000 1.129 199 I CA -1.631 59.551 61.300 -0.197 0.000 0.963 199 I CB 2.292 40.182 38.000 -0.183 0.000 1.273 199 I HN 0.418 nan 8.210 nan 0.000 0.473 200 I N 1.576 121.984 120.570 -0.269 0.000 2.433 200 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 200 I C -0.748 175.290 176.117 -0.131 0.000 1.001 200 I CA -0.296 60.663 61.300 -0.568 0.000 1.119 200 I CB 1.821 39.137 38.000 -1.141 0.000 1.289 200 I HN 0.722 nan 8.210 nan 0.000 0.438 201 E N 7.325 127.514 120.200 -0.019 0.000 2.340 201 E HA 0.571 4.921 4.350 -0.000 0.000 0.273 201 E C -2.963 173.826 176.600 0.315 0.000 0.891 201 E CA -2.228 54.320 56.400 0.246 0.000 0.757 201 E CB 2.563 32.368 29.700 0.175 0.000 1.231 201 E HN 0.164 nan 8.360 nan 0.000 0.439 202 P HA 0.031 nan 4.420 nan 0.000 0.275 202 P C -0.223 177.131 177.300 0.091 0.000 1.228 202 P CA -0.073 63.143 63.100 0.193 0.000 0.786 202 P CB 1.215 32.964 31.700 0.081 0.000 0.927 203 T N -2.514 112.032 114.554 -0.013 0.000 2.923 203 T HA 0.238 4.588 4.350 -0.000 0.000 0.281 203 T C 1.513 176.119 174.700 -0.155 0.000 0.995 203 T CA -0.128 61.900 62.100 -0.120 0.000 0.985 203 T CB 0.296 68.997 68.868 -0.279 0.000 1.114 203 T HN 0.383 nan 8.240 nan 0.000 0.548 204 S N -0.108 115.498 115.700 -0.155 0.000 2.469 204 S HA -0.002 4.468 4.470 -0.000 0.000 0.238 204 S C 2.044 176.557 174.600 -0.145 0.000 0.998 204 S CA 0.471 58.601 58.200 -0.117 0.000 0.957 204 S CB -0.950 62.196 63.200 -0.089 0.000 0.764 204 S HN 1.019 nan 8.310 nan 0.000 0.514 205 A N 0.526 123.177 122.820 -0.282 0.000 2.208 205 A HA 0.572 4.892 4.320 -0.000 0.000 0.209 205 A C 1.883 179.348 177.584 -0.198 0.000 1.161 205 A CA 0.745 52.611 52.037 -0.285 0.000 0.782 205 A CB -0.927 17.750 19.000 -0.538 0.000 0.816 205 A HN 1.442 nan 8.150 nan 0.000 0.477 206 G N -1.073 107.613 108.800 -0.190 0.000 2.279 206 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.223 206 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.223 206 G C 0.200 175.148 174.900 0.080 0.000 1.015 206 G CA 0.123 45.223 45.100 0.000 0.000 0.621 206 G HN 1.080 nan 8.290 nan 0.000 0.506 207 F N 1.030 121.028 119.950 0.079 0.000 2.370 207 F HA 0.824 5.351 4.527 -0.000 0.000 0.319 207 F C -2.130 173.641 175.800 -0.048 0.000 1.129 207 F CA -3.427 54.516 58.000 -0.096 0.000 1.109 207 F CB -0.310 38.654 39.000 -0.060 0.000 1.262 207 F HN -0.042 nan 8.300 nan 0.000 0.534 208 P HA 0.087 nan 4.420 nan 0.000 0.268 208 P C -1.214 176.294 177.300 0.347 0.000 1.208 208 P CA 0.182 63.368 63.100 0.144 0.000 0.777 208 P CB 0.296 31.992 31.700 -0.005 0.000 0.875 209 F N 3.009 122.993 119.950 0.057 0.000 2.562 209 F HA 0.499 5.026 4.527 0.000 0.000 0.319 209 F C -1.726 174.090 175.800 0.028 0.000 1.154 209 F CA -1.713 56.373 58.000 0.143 0.000 0.931 209 F CB 0.622 39.684 39.000 0.104 0.000 1.198 209 F HN 0.048 nan 8.300 nan 0.000 0.444 210 F N 5.987 125.635 119.950 -0.504 0.000 2.405 210 F HA 0.394 4.921 4.527 -0.000 0.000 0.358 210 F C 0.818 176.123 175.800 -0.825 0.000 1.151 210 F CA -0.286 57.321 58.000 -0.656 0.000 1.161 210 F CB 0.432 38.810 39.000 -1.037 0.000 1.245 210 F HN 0.414 nan 8.300 nan 0.000 0.545 211 R N 2.454 122.515 120.500 -0.733 0.000 2.242 211 R HA 0.207 4.547 4.340 -0.000 0.000 0.334 211 R C -0.342 175.979 176.300 0.034 0.000 1.071 211 R CA -0.137 55.633 56.100 -0.550 0.000 0.922 211 R CB 0.336 30.432 30.300 -0.339 0.000 1.023 211 R HN 0.501 nan 8.270 nan 0.000 0.458 212 T N 6.104 120.781 114.554 0.205 0.000 2.834 212 T HA 0.132 4.482 4.350 -0.000 0.000 0.298 212 T C 1.222 175.968 174.700 0.076 0.000 0.966 212 T CA -0.055 62.175 62.100 0.217 0.000 1.141 212 T CB 0.655 69.741 68.868 0.362 0.000 0.905 212 T HN 0.561 nan 8.240 nan 0.000 0.535 213 L N 2.420 123.623 121.223 -0.033 0.000 2.731 213 L HA 0.428 4.768 4.340 -0.000 0.000 0.240 213 L C 0.815 177.709 176.870 0.040 0.000 1.120 213 L CA 0.137 55.006 54.840 0.048 0.000 0.913 213 L CB 0.231 42.361 42.059 0.118 0.000 1.213 213 L HN 0.485 nan 8.230 nan 0.000 0.515 214 K N -0.470 119.926 120.400 -0.008 0.000 2.578 214 K HA 0.415 4.735 4.320 -0.000 0.000 0.269 214 K C -1.470 175.107 176.600 -0.037 0.000 0.941 214 K CA -0.312 55.949 56.287 -0.044 0.000 0.847 214 K CB 2.743 35.187 32.500 -0.094 0.000 1.397 214 K HN -0.306 nan 8.250 nan 0.000 0.422 215 T N 2.445 116.971 114.554 -0.047 0.000 2.903 215 T HA 0.728 5.078 4.350 -0.000 0.000 0.299 215 T C -1.773 172.841 174.700 -0.143 0.000 1.093 215 T CA -0.547 61.491 62.100 -0.104 0.000 1.002 215 T CB 0.965 69.870 68.868 0.060 0.000 1.127 215 T HN 0.362 nan 8.240 nan 0.000 0.488 216 L N 2.660 123.717 121.223 -0.277 0.000 2.472 216 L HA 0.548 4.888 4.340 -0.000 0.000 0.260 216 L C -1.664 175.163 176.870 -0.071 0.000 0.963 216 L CA -0.789 53.968 54.840 -0.138 0.000 0.829 216 L CB 1.993 43.972 42.059 -0.134 0.000 1.348 216 L HN 0.626 nan 8.230 nan 0.000 0.408 217 Y N 3.390 123.640 120.300 -0.083 0.000 2.488 217 Y HA 0.543 5.093 4.550 -0.000 0.000 0.330 217 Y C -0.949 174.949 175.900 -0.003 0.000 1.013 217 Y CA -1.118 56.985 58.100 0.005 0.000 1.304 217 Y CB 1.058 39.582 38.460 0.106 0.000 1.098 217 Y HN 0.429 nan 8.280 nan 0.000 0.498 218 L N 5.144 126.284 121.223 -0.139 0.000 2.454 218 L HA 0.248 4.588 4.340 -0.000 0.000 0.284 218 L C 0.370 177.031 176.870 -0.348 0.000 1.139 218 L CA 0.062 54.788 54.840 -0.189 0.000 0.911 218 L CB 0.087 42.067 42.059 -0.131 0.000 1.262 218 L HN 0.531 nan 8.230 nan 0.000 0.453 219 S N 2.615 118.120 115.700 -0.325 0.000 2.718 219 S HA 0.405 4.875 4.470 -0.000 0.000 0.294 219 S C -0.191 174.316 174.600 -0.155 0.000 1.157 219 S CA -0.677 57.328 58.200 -0.324 0.000 1.121 219 S CB 0.459 63.418 63.200 -0.401 0.000 1.015 219 S HN 0.747 nan 8.310 nan 0.000 0.479 220 D N 2.303 122.630 120.400 -0.122 0.000 2.619 220 D HA 0.201 4.841 4.640 -0.000 0.000 0.300 220 D C 1.022 177.286 176.300 -0.061 0.000 1.502 220 D CA 0.454 54.409 54.000 -0.075 0.000 0.865 220 D CB -0.388 40.372 40.800 -0.065 0.000 1.343 220 D HN 0.871 nan 8.370 nan 0.000 0.447 221 G N -0.111 108.648 108.800 -0.068 0.000 2.232 221 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 221 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 221 G C 0.055 174.923 174.900 -0.054 0.000 0.996 221 G CA 0.048 45.118 45.100 -0.051 0.000 0.626 221 G HN 0.432 nan 8.290 nan 0.000 0.509 222 V N 1.765 121.640 119.914 -0.065 0.000 2.408 222 V HA 0.416 4.536 4.120 -0.000 0.000 0.267 222 V C 0.631 176.670 176.094 -0.093 0.000 1.047 222 V CA -0.220 62.039 62.300 -0.069 0.000 0.937 222 V CB 1.365 33.148 31.823 -0.067 0.000 0.999 222 V HN 0.364 nan 8.190 nan 0.000 0.472 223 N N 5.069 123.712 118.700 -0.096 0.000 2.895 223 N HA 0.103 4.843 4.740 -0.000 0.000 0.277 223 N C 0.243 175.628 175.510 -0.208 0.000 1.185 223 N CA -0.053 52.922 53.050 -0.125 0.000 1.106 223 N CB -0.170 38.262 38.487 -0.092 0.000 1.422 223 N HN 0.530 nan 8.380 nan 0.000 0.521 224 R N 2.142 122.525 120.500 -0.196 0.000 2.370 224 R HA 0.184 4.524 4.340 -0.000 0.000 0.309 224 R C 0.009 176.134 176.300 -0.291 0.000 1.059 224 R CA 0.096 56.048 56.100 -0.246 0.000 0.981 224 R CB 0.545 30.746 30.300 -0.165 0.000 0.972 224 R HN 0.232 nan 8.270 nan 0.000 0.437 225 K N 0.423 120.530 120.400 -0.488 0.000 2.395 225 K HA 0.186 4.506 4.320 -0.000 0.000 0.245 225 K C 0.110 176.570 176.600 -0.233 0.000 1.017 225 K CA -0.862 55.182 56.287 -0.406 0.000 0.852 225 K CB 1.918 34.078 32.500 -0.565 0.000 1.311 225 K HN 0.495 nan 8.250 nan 0.000 0.452 226 S N 0.165 115.862 115.700 -0.005 0.000 3.486 226 S HA -0.189 4.281 4.470 -0.000 0.000 0.371 226 S C 0.013 174.632 174.600 0.032 0.000 1.001 226 S CA 0.237 58.521 58.200 0.140 0.000 1.164 226 S CB -1.600 61.828 63.200 0.381 0.000 0.911 226 S HN 0.528 nan 8.310 nan 0.000 0.472 227 c N 2.042 120.613 118.600 -0.047 0.000 2.644 227 c HA 0.572 5.142 4.570 -0.000 0.000 0.417 227 c C 1.083 175.146 174.090 -0.045 0.000 1.304 227 c CA -0.460 55.805 56.329 -0.107 0.000 2.035 227 c CB 0.796 43.245 42.510 -0.102 0.000 2.673 227 c HN 0.679 nan 8.230 nan 0.000 0.602 228 S N 1.853 117.504 115.700 -0.080 0.000 2.473 228 S HA 0.652 5.122 4.470 -0.000 0.000 0.307 228 S C -0.584 174.089 174.600 0.122 0.000 1.094 228 S CA -0.311 57.940 58.200 0.084 0.000 1.070 228 S CB 0.994 64.319 63.200 0.207 0.000 1.019 228 S HN 0.653 nan 8.310 nan 0.000 0.480 229 I N 2.266 122.970 120.570 0.222 0.000 2.648 229 I HA 0.703 4.873 4.170 -0.000 0.000 0.304 229 I C -0.423 175.899 176.117 0.341 0.000 1.009 229 I CA -0.124 61.329 61.300 0.255 0.000 1.114 229 I CB 1.878 39.946 38.000 0.114 0.000 1.293 229 I HN 0.615 nan 8.210 nan 0.000 0.449 230 S N 3.231 119.113 115.700 0.303 0.000 2.536 230 S HA 0.437 4.907 4.470 -0.000 0.000 0.271 230 S C -0.727 173.900 174.600 0.045 0.000 1.134 230 S CA -0.448 57.836 58.200 0.140 0.000 0.897 230 S CB 1.759 64.971 63.200 0.020 0.000 1.094 230 S HN 0.648 nan 8.310 nan 0.000 0.473 231 T N 3.144 117.675 114.554 -0.039 0.000 2.901 231 T HA 0.535 4.885 4.350 -0.000 0.000 0.301 231 T C -0.098 174.543 174.700 -0.098 0.000 1.012 231 T CA 0.105 62.135 62.100 -0.117 0.000 1.135 231 T CB 0.362 69.059 68.868 -0.284 0.000 0.936 231 T HN 1.067 nan 8.240 nan 0.000 0.539 232 V N 2.315 122.168 119.914 -0.101 0.000 3.078 232 V HA 0.680 4.800 4.120 -0.000 0.000 0.311 232 V C -3.042 172.950 176.094 -0.170 0.000 1.138 232 V CA -3.219 58.914 62.300 -0.278 0.000 1.007 232 V CB 1.663 33.331 31.823 -0.260 0.000 1.045 232 V HN 0.483 nan 8.190 nan 0.000 0.432 233 P HA 0.315 nan 4.420 nan 0.000 0.260 233 P C 0.919 178.215 177.300 -0.007 0.000 1.207 233 P CA 2.049 65.079 63.100 -0.117 0.000 0.780 233 P CB 0.338 31.943 31.700 -0.160 0.000 0.789 234 G N 2.269 111.068 108.800 -0.003 0.000 2.176 234 G HA2 0.004 3.964 3.960 -0.000 0.000 0.253 234 G HA3 0.004 3.964 3.960 -0.000 0.000 0.253 234 G C 0.402 175.321 174.900 0.031 0.000 0.979 234 G CA -0.200 44.907 45.100 0.013 0.000 0.641 234 G HN 0.943 nan 8.290 nan 0.000 0.530 235 G N -2.119 106.649 108.800 -0.053 0.000 2.393 235 G HA2 0.529 4.489 3.960 -0.000 0.000 0.264 235 G HA3 0.529 4.489 3.960 -0.000 0.000 0.264 235 G C -1.030 173.875 174.900 0.009 0.000 1.221 235 G CA 0.416 45.463 45.100 -0.088 0.000 0.912 235 G HN 1.180 nan 8.290 nan 0.000 0.483 236 c N -0.037 118.510 118.600 -0.089 0.000 2.712 236 c HA 0.862 5.432 4.570 -0.000 0.000 0.308 236 c C -0.000 174.045 174.090 -0.075 0.000 1.201 236 c CA -0.446 55.865 56.329 -0.031 0.000 1.554 236 c CB 1.108 43.617 42.510 -0.001 0.000 2.117 236 c HN 0.836 nan 8.230 nan 0.000 0.480 237 M N 3.797 123.415 119.600 0.030 0.000 2.253 237 M HA 0.647 5.127 4.480 -0.000 0.000 0.314 237 M C -1.140 175.306 176.300 0.243 0.000 1.019 237 M CA -0.299 55.064 55.300 0.106 0.000 0.932 237 M CB 1.292 33.999 32.600 0.179 0.000 1.606 237 M HN 0.924 nan 8.290 nan 0.000 0.430 238 M N 4.706 124.373 119.600 0.112 0.000 2.456 238 M HA 0.459 4.939 4.480 -0.000 0.000 0.324 238 M C -2.226 174.021 176.300 -0.089 0.000 1.124 238 M CA -0.663 54.654 55.300 0.027 0.000 0.959 238 M CB 1.878 34.468 32.600 -0.016 0.000 1.692 238 M HN 0.733 nan 8.290 nan 0.000 0.444 239 Y N 4.635 124.627 120.300 -0.512 0.000 2.331 239 Y HA 0.689 5.239 4.550 -0.000 0.000 0.334 239 Y C -1.674 174.054 175.900 -0.286 0.000 0.960 239 Y CA -1.357 56.409 58.100 -0.557 0.000 1.130 239 Y CB 0.999 38.732 38.460 -1.212 0.000 1.164 239 Y HN 0.888 nan 8.280 nan 0.000 0.458 240 c N 5.783 124.243 118.600 -0.235 0.000 3.213 240 c HA 0.757 5.327 4.570 -0.000 0.000 0.319 240 c C -0.836 173.168 174.090 -0.144 0.000 1.386 240 c CA -1.084 55.071 56.329 -0.290 0.000 1.494 240 c CB 1.304 43.703 42.510 -0.185 0.000 1.905 240 c HN 0.815 nan 8.230 nan 0.000 0.456 241 F N -0.747 119.061 119.950 -0.236 0.000 2.563 241 F HA 0.835 5.362 4.527 0.000 0.000 0.316 241 F C -0.923 174.820 175.800 -0.095 0.000 1.076 241 F CA -1.067 56.846 58.000 -0.145 0.000 0.921 241 F CB 0.734 39.627 39.000 -0.178 0.000 1.209 241 F HN 0.283 nan 8.300 nan 0.000 0.462 242 V N 3.096 122.952 119.914 -0.097 0.000 2.408 242 V HA 0.290 4.410 4.120 -0.000 0.000 0.267 242 V C 0.226 176.218 176.094 -0.170 0.000 1.047 242 V CA -0.337 61.840 62.300 -0.205 0.000 0.937 242 V CB 0.536 32.323 31.823 -0.060 0.000 0.999 242 V HN 0.903 nan 8.190 nan 0.000 0.472 243 S N 3.679 119.155 115.700 -0.374 0.000 2.513 243 S HA 0.425 4.895 4.470 -0.000 0.000 0.276 243 S C 0.873 175.476 174.600 0.005 0.000 1.254 243 S CA 0.158 58.289 58.200 -0.114 0.000 1.053 243 S CB 0.929 64.010 63.200 -0.199 0.000 0.958 243 S HN 1.011 nan 8.310 nan 0.000 0.491 244 T N 1.121 115.712 114.554 0.063 0.000 3.192 244 T HA 0.323 4.673 4.350 -0.000 0.000 0.295 244 T C -0.145 174.569 174.700 0.022 0.000 0.947 244 T CA -0.470 61.678 62.100 0.079 0.000 0.916 244 T CB -0.337 68.563 68.868 0.053 0.000 1.169 244 T HN 0.810 nan 8.240 nan 0.000 0.540 245 Q N -0.673 119.040 119.800 -0.144 0.000 2.756 245 Q HA 0.535 4.875 4.340 -0.000 0.000 0.295 245 Q C -3.470 172.279 176.000 -0.419 0.000 0.903 245 Q CA -2.181 53.296 55.803 -0.542 0.000 0.768 245 Q CB 0.238 28.840 28.738 -0.227 0.000 1.472 245 Q HN -0.099 nan 8.270 nan 0.000 0.416 246 P HA -0.087 nan 4.420 nan 0.000 0.266 246 P C 0.182 177.516 177.300 0.057 0.000 1.193 246 P CA 0.326 63.392 63.100 -0.056 0.000 0.770 246 P CB 0.579 32.288 31.700 0.016 0.000 0.836 247 E N 3.281 123.577 120.200 0.159 0.000 2.086 247 E HA -0.330 4.020 4.350 -0.000 0.000 0.200 247 E C 1.879 178.566 176.600 0.145 0.000 1.012 247 E CA 1.368 57.869 56.400 0.168 0.000 0.812 247 E CB -0.117 29.736 29.700 0.254 0.000 0.743 247 E HN 0.257 nan 8.360 nan 0.000 0.453 248 R N 0.136 120.775 120.500 0.232 0.000 2.105 248 R HA -0.181 4.159 4.340 -0.000 0.000 0.239 248 R C 1.630 178.119 176.300 0.315 0.000 1.135 248 R CA 2.033 58.308 56.100 0.292 0.000 0.967 248 R CB -0.127 30.379 30.300 0.345 0.000 0.861 248 R HN 0.266 nan 8.270 nan 0.000 0.442 249 D N 0.492 120.996 120.400 0.173 0.000 2.178 249 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 249 D C 1.337 177.715 176.300 0.129 0.000 0.980 249 D CA 1.026 55.109 54.000 0.138 0.000 0.842 249 D CB -0.350 40.456 40.800 0.010 0.000 0.948 249 D HN 0.265 nan 8.370 nan 0.000 0.472 250 D N -0.284 120.140 120.400 0.039 0.000 2.144 250 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 250 D C 1.866 178.058 176.300 -0.180 0.000 0.984 250 D CA 0.792 54.729 54.000 -0.105 0.000 0.834 250 D CB -0.244 40.408 40.800 -0.246 0.000 0.955 250 D HN 0.352 nan 8.370 nan 0.000 0.465 251 Y N -0.580 119.653 120.300 -0.112 0.000 2.314 251 Y HA -0.083 4.467 4.550 -0.000 0.000 0.293 251 Y C 2.142 177.946 175.900 -0.160 0.000 1.129 251 Y CA 0.616 58.619 58.100 -0.163 0.000 1.201 251 Y CB -0.365 37.934 38.460 -0.267 0.000 0.999 251 Y HN -0.067 nan 8.280 nan 0.000 0.541 252 F N -0.179 119.821 119.950 0.084 0.000 2.234 252 F HA -0.065 4.462 4.527 -0.000 0.000 0.296 252 F C 1.553 177.357 175.800 0.008 0.000 1.089 252 F CA 0.431 58.456 58.000 0.042 0.000 1.343 252 F CB -0.641 38.366 39.000 0.012 0.000 1.040 252 F HN -0.212 nan 8.300 nan 0.000 0.498 253 S N 0.769 116.562 115.700 0.156 0.000 2.549 253 S HA 0.346 4.816 4.470 -0.000 0.000 0.283 253 S C 1.092 175.708 174.600 0.027 0.000 1.320 253 S CA -0.266 57.977 58.200 0.072 0.000 1.058 253 S CB 1.492 64.714 63.200 0.037 0.000 0.882 253 S HN 0.267 nan 8.310 nan 0.000 0.498 254 A N 2.893 125.727 122.820 0.024 0.000 2.014 254 A HA 0.434 4.754 4.320 -0.000 0.000 0.218 254 A C 1.340 178.928 177.584 0.006 0.000 1.163 254 A CA 0.750 52.792 52.037 0.009 0.000 0.652 254 A CB -0.881 18.124 19.000 0.007 0.000 0.808 254 A HN 1.357 nan 8.150 nan 0.000 0.449 255 A N 1.115 123.938 122.820 0.005 0.000 2.331 255 A HA 0.582 4.902 4.320 -0.000 0.000 0.283 255 A C -2.337 175.239 177.584 -0.013 0.000 1.142 255 A CA -1.566 50.473 52.037 0.004 0.000 0.812 255 A CB 0.190 19.194 19.000 0.007 0.000 1.074 255 A HN 0.293 nan 8.150 nan 0.000 0.497 256 P HA 0.419 nan 4.420 nan 0.000 0.279 256 P C -2.711 174.570 177.300 -0.033 0.000 1.252 256 P CA -1.434 61.638 63.100 -0.047 0.000 0.811 256 P CB 0.146 31.829 31.700 -0.028 0.000 1.035 257 P HA 0.181 nan 4.420 nan 0.000 0.273 257 P C -0.119 177.221 177.300 0.066 0.000 1.250 257 P CA -0.235 62.896 63.100 0.052 0.000 0.793 257 P CB 0.306 32.111 31.700 0.175 0.000 1.011 258 E N 0.793 121.048 120.200 0.091 0.000 2.373 258 E HA 0.031 4.381 4.350 -0.000 0.000 0.267 258 E C -0.608 176.056 176.600 0.107 0.000 1.032 258 E CA -0.306 56.135 56.400 0.069 0.000 0.889 258 E CB 0.302 30.029 29.700 0.045 0.000 0.984 258 E HN 0.220 nan 8.360 nan 0.000 0.425 259 Q N 3.444 123.298 119.800 0.091 0.000 2.333 259 Q HA 0.459 4.799 4.340 -0.000 0.000 0.267 259 Q C -0.698 175.374 176.000 0.121 0.000 1.012 259 Q CA -0.464 55.432 55.803 0.154 0.000 0.824 259 Q CB 2.088 30.922 28.738 0.160 0.000 1.290 259 Q HN 0.514 nan 8.270 nan 0.000 0.449 260 R N 1.468 122.058 120.500 0.151 0.000 2.744 260 R HA 0.693 5.033 4.340 -0.000 0.000 0.279 260 R C -0.503 175.870 176.300 0.122 0.000 0.977 260 R CA -0.976 55.177 56.100 0.088 0.000 0.906 260 R CB 1.897 32.215 30.300 0.030 0.000 1.197 260 R HN 0.640 nan 8.270 nan 0.000 0.463 261 I N -0.209 120.392 120.570 0.052 0.000 2.466 261 I HA 0.501 4.671 4.170 -0.000 0.000 0.289 261 I C -1.331 174.792 176.117 0.011 0.000 1.026 261 I CA -0.624 60.698 61.300 0.036 0.000 1.078 261 I CB 1.476 39.481 38.000 0.009 0.000 1.249 261 I HN 0.413 nan 8.210 nan 0.000 0.429 262 I N 7.556 128.124 120.570 -0.003 0.000 2.404 262 I HA 0.503 4.673 4.170 -0.000 0.000 0.293 262 I C -0.340 175.746 176.117 -0.052 0.000 0.992 262 I CA -0.378 60.905 61.300 -0.028 0.000 1.149 262 I CB 1.643 39.617 38.000 -0.042 0.000 1.315 262 I HN 0.487 nan 8.210 nan 0.000 0.446 263 I N 6.401 126.913 120.570 -0.096 0.000 2.378 263 I HA 0.466 4.636 4.170 -0.000 0.000 0.291 263 I C -0.643 175.294 176.117 -0.299 0.000 0.992 263 I CA -0.495 60.666 61.300 -0.232 0.000 1.154 263 I CB 1.254 39.072 38.000 -0.303 0.000 1.315 263 I HN 0.408 nan 8.210 nan 0.000 0.448 264 M N 6.594 125.992 119.600 -0.336 0.000 2.085 264 M HA 0.417 4.897 4.480 -0.000 0.000 0.309 264 M C -1.241 174.881 176.300 -0.297 0.000 0.947 264 M CA -0.500 54.657 55.300 -0.237 0.000 0.918 264 M CB 1.233 33.753 32.600 -0.133 0.000 1.504 264 M HN 0.303 nan 8.290 nan 0.000 0.420 265 Y N 0.396 120.672 120.300 -0.041 0.000 2.307 265 Y HA 0.072 4.622 4.550 -0.000 0.000 0.324 265 Y C 0.973 176.851 175.900 -0.036 0.000 1.238 265 Y CA -0.134 57.943 58.100 -0.038 0.000 1.280 265 Y CB 0.433 38.868 38.460 -0.042 0.000 1.248 265 Y HN 0.562 nan 8.280 nan 0.000 0.508 266 Y N 2.445 122.744 120.300 -0.001 0.000 2.483 266 Y HA -0.219 4.331 4.550 -0.000 0.000 0.291 266 Y C 1.544 177.410 175.900 -0.056 0.000 1.143 266 Y CA 1.552 59.593 58.100 -0.098 0.000 1.289 266 Y CB -0.249 38.102 38.460 -0.182 0.000 0.983 266 Y HN 0.722 nan 8.280 nan 0.000 0.556 267 N N -0.709 117.980 118.700 -0.017 0.000 2.362 267 N HA -0.026 4.714 4.740 -0.000 0.000 0.204 267 N C -0.023 175.432 175.510 -0.093 0.000 1.166 267 N CA 0.995 53.986 53.050 -0.098 0.000 0.831 267 N CB -0.547 37.912 38.487 -0.047 0.000 1.008 267 N HN 0.282 nan 8.380 nan 0.000 0.472 268 D N -2.270 118.075 120.400 -0.091 0.000 3.046 268 D HA -0.164 4.476 4.640 -0.000 0.000 0.210 268 D C -0.977 175.320 176.300 -0.006 0.000 1.124 268 D CA 1.421 55.381 54.000 -0.066 0.000 0.986 268 D CB -1.542 39.199 40.800 -0.098 0.000 1.118 268 D HN 0.372 nan 8.370 nan 0.000 0.416 269 T N 0.485 115.073 114.554 0.057 0.000 2.832 269 T HA 0.529 4.879 4.350 -0.000 0.000 0.296 269 T C 0.597 175.380 174.700 0.138 0.000 0.968 269 T CA 0.004 62.158 62.100 0.090 0.000 1.107 269 T CB 0.806 69.734 68.868 0.100 0.000 0.916 269 T HN 0.080 nan 8.240 nan 0.000 0.517 270 I N 3.196 123.808 120.570 0.070 0.000 2.465 270 I HA 0.475 4.645 4.170 -0.000 0.000 0.291 270 I C -0.768 175.371 176.117 0.037 0.000 1.014 270 I CA -1.012 60.307 61.300 0.032 0.000 1.093 270 I CB 2.112 40.107 38.000 -0.009 0.000 1.267 270 I HN 0.243 nan 8.210 nan 0.000 0.431 271 V N 5.423 125.354 119.914 0.029 0.000 2.447 271 V HA 0.318 4.438 4.120 -0.000 0.000 0.292 271 V C -0.343 175.751 176.094 0.001 0.000 1.021 271 V CA -0.562 61.756 62.300 0.030 0.000 0.850 271 V CB 1.718 33.585 31.823 0.073 0.000 1.005 271 V HN 0.758 nan 8.190 nan 0.000 0.426 272 E N 5.233 125.430 120.200 -0.004 0.000 2.179 272 E HA 0.675 5.025 4.350 -0.000 0.000 0.275 272 E C -0.908 175.690 176.600 -0.003 0.000 0.945 272 E CA -0.856 55.538 56.400 -0.010 0.000 0.792 272 E CB 1.238 30.927 29.700 -0.018 0.000 1.125 272 E HN 0.479 nan 8.360 nan 0.000 0.397 273 R N 3.788 124.288 120.500 -0.001 0.000 2.673 273 R HA 0.446 4.786 4.340 -0.000 0.000 0.281 273 R C -0.689 175.613 176.300 0.004 0.000 0.991 273 R CA -0.803 55.297 56.100 0.001 0.000 0.896 273 R CB 1.353 31.653 30.300 0.000 0.000 1.201 273 R HN 0.652 nan 8.270 nan 0.000 0.457 274 I N 4.838 125.410 120.570 0.003 0.000 2.325 274 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 274 I C 0.900 177.019 176.117 0.004 0.000 1.019 274 I CA -0.437 60.868 61.300 0.008 0.000 1.302 274 I CB 0.639 38.643 38.000 0.007 0.000 1.401 274 I HN 0.450 nan 8.210 nan 0.000 0.485 275 I N 4.421 124.993 120.570 0.003 0.000 2.498 275 I HA 0.500 4.670 4.170 -0.000 0.000 0.301 275 I C -0.440 175.668 176.117 -0.014 0.000 0.984 275 I CA -0.578 60.714 61.300 -0.013 0.000 1.204 275 I CB 1.559 39.536 38.000 -0.039 0.000 1.362 275 I HN 0.450 nan 8.210 nan 0.000 0.471 276 N N 5.453 124.142 118.700 -0.018 0.000 2.791 276 N HA 0.329 5.069 4.740 -0.000 0.000 0.265 276 N C -2.693 172.803 175.510 -0.024 0.000 1.580 276 N CA -0.828 52.211 53.050 -0.018 0.000 0.809 276 N CB 1.300 39.783 38.487 -0.007 0.000 1.178 276 N HN 0.548 nan 8.380 nan 0.000 0.499 277 P HA 0.239 nan 4.420 nan 0.000 0.271 277 P C -2.642 174.640 177.300 -0.030 0.000 1.218 277 P CA -0.831 62.243 63.100 -0.043 0.000 0.780 277 P CB 0.212 31.862 31.700 -0.083 0.000 0.901 278 P HA 0.098 nan 4.420 nan 0.000 0.269 278 P C 0.961 178.269 177.300 0.015 0.000 1.215 278 P CA 0.885 63.988 63.100 0.005 0.000 0.780 278 P CB -0.037 31.669 31.700 0.010 0.000 0.898 279 G N 0.016 108.843 108.800 0.045 0.000 2.153 279 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.252 279 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.252 279 G C 0.620 175.618 174.900 0.163 0.000 0.994 279 G CA 0.302 45.460 45.100 0.098 0.000 0.698 279 G HN 0.398 nan 8.290 nan 0.000 0.521 280 V N -0.414 119.554 119.914 0.088 0.000 2.743 280 V HA 0.360 4.480 4.120 -0.000 0.000 0.237 280 V C 1.469 177.645 176.094 0.137 0.000 1.113 280 V CA 0.850 63.202 62.300 0.087 0.000 1.141 280 V CB -0.200 31.573 31.823 -0.083 0.000 0.873 280 V HN 0.421 nan 8.190 nan 0.000 0.486 281 L N 2.023 123.289 121.223 0.071 0.000 2.513 281 L HA 0.158 4.498 4.340 -0.000 0.000 0.272 281 L C 0.616 177.529 176.870 0.072 0.000 1.187 281 L CA 0.757 55.633 54.840 0.060 0.000 0.895 281 L CB -0.703 41.376 42.059 0.033 0.000 1.147 281 L HN 0.453 nan 8.230 nan 0.000 0.483 282 D N 2.119 122.558 120.400 0.064 0.000 3.077 282 D HA -0.197 4.443 4.640 -0.000 0.000 0.212 282 D C 0.759 177.094 176.300 0.058 0.000 1.125 282 D CA 1.128 55.156 54.000 0.046 0.000 0.970 282 D CB -1.143 39.674 40.800 0.028 0.000 1.110 282 D HN 0.427 nan 8.370 nan 0.000 0.419 283 V N -2.111 117.874 119.914 0.120 0.000 3.029 283 V HA 0.133 4.253 4.120 -0.000 0.000 0.230 283 V C 0.277 176.412 176.094 0.068 0.000 1.254 283 V CA 0.321 62.685 62.300 0.108 0.000 1.276 283 V CB 0.364 32.314 31.823 0.212 0.000 1.080 283 V HN 0.058 nan 8.190 nan 0.000 0.495 284 W N 0.020 121.319 121.300 -0.002 0.000 2.391 284 W HA 0.692 5.352 4.660 0.000 0.000 0.311 284 W C 1.005 177.483 176.519 -0.068 0.000 1.087 284 W CA 0.088 57.419 57.345 -0.023 0.000 1.209 284 W CB 1.314 30.746 29.460 -0.045 0.000 1.273 284 W HN 0.097 nan 8.180 nan 0.000 0.482 285 A N 2.242 125.115 122.820 0.087 0.000 2.014 285 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 285 A C 0.649 178.162 177.584 -0.119 0.000 1.163 285 A CA 1.231 53.256 52.037 -0.020 0.000 0.652 285 A CB -0.276 18.695 19.000 -0.048 0.000 0.808 285 A HN 0.485 nan 8.150 nan 0.000 0.449 286 T N -1.883 112.574 114.554 -0.161 0.000 2.843 286 T HA 0.575 4.925 4.350 -0.000 0.000 0.302 286 T C -1.504 173.077 174.700 -0.199 0.000 1.232 286 T CA -0.485 61.403 62.100 -0.353 0.000 1.009 286 T CB 1.691 70.059 68.868 -0.833 0.000 1.254 286 T HN 0.429 nan 8.240 nan 0.000 0.504 287 L N 1.909 122.902 121.223 -0.383 0.000 2.526 287 L HA 0.738 5.078 4.340 -0.000 0.000 0.263 287 L C -2.052 174.483 176.870 -0.557 0.000 0.943 287 L CA -0.401 54.209 54.840 -0.384 0.000 0.859 287 L CB 2.042 43.877 42.059 -0.374 0.000 1.313 287 L HN 0.666 nan 8.230 nan 0.000 0.406 288 N N 4.298 122.669 118.700 -0.548 0.000 2.242 288 N HA 0.667 5.407 4.740 -0.000 0.000 0.292 288 N C -2.884 172.501 175.510 -0.207 0.000 1.125 288 N CA -1.687 51.042 53.050 -0.534 0.000 0.783 288 N CB 2.465 40.515 38.487 -0.728 0.000 1.558 288 N HN 0.296 nan 8.380 nan 0.000 0.472 289 P HA 0.193 nan 4.420 nan 0.000 0.274 289 P C 0.664 178.107 177.300 0.239 0.000 1.237 289 P CA -0.192 62.817 63.100 -0.151 0.000 0.793 289 P CB 0.650 31.997 31.700 -0.587 0.000 0.977 290 G N -0.086 108.940 108.800 0.376 0.000 2.920 290 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.208 290 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.208 290 G C 0.768 175.879 174.900 0.353 0.000 1.159 290 G CA 0.909 46.279 45.100 0.450 0.000 0.784 290 G HN 0.713 nan 8.290 nan 0.000 0.535 291 T N -3.832 110.884 114.554 0.270 0.000 10.665 291 T HA -0.228 4.122 4.350 -0.000 0.000 0.384 291 T C 1.380 176.230 174.700 0.250 0.000 1.689 291 T CA 1.709 63.931 62.100 0.204 0.000 2.678 291 T CB -1.875 67.106 68.868 0.188 0.000 2.663 291 T HN 1.471 nan 8.240 nan 0.000 0.987 292 G N 1.890 110.888 108.800 0.330 0.000 2.569 292 G HA2 0.473 4.433 3.960 -0.000 0.000 0.249 292 G HA3 0.473 4.433 3.960 -0.000 0.000 0.249 292 G C 0.267 175.379 174.900 0.352 0.000 1.216 292 G CA 0.238 45.580 45.100 0.402 0.000 0.845 292 G HN 1.704 nan 8.290 nan 0.000 0.568 293 S N 0.242 116.122 115.700 0.300 0.000 2.563 293 S HA 0.442 4.912 4.470 -0.000 0.000 0.284 293 S C 0.828 175.569 174.600 0.235 0.000 1.331 293 S CA 0.072 58.415 58.200 0.239 0.000 1.047 293 S CB 1.026 64.312 63.200 0.143 0.000 0.859 293 S HN 1.078 nan 8.310 nan 0.000 0.514 294 G N 0.161 109.117 108.800 0.260 0.000 2.557 294 G HA2 0.686 4.646 3.960 -0.000 0.000 0.302 294 G HA3 0.686 4.646 3.960 -0.000 0.000 0.302 294 G C -0.398 174.484 174.900 -0.030 0.000 1.311 294 G CA -0.424 44.726 45.100 0.083 0.000 1.030 294 G HN 1.791 nan 8.290 nan 0.000 0.509 295 V N -3.208 116.647 119.914 -0.098 0.000 2.971 295 V HA 0.639 4.759 4.120 -0.000 0.000 0.309 295 V C -1.458 174.681 176.094 0.076 0.000 1.130 295 V CA -1.392 60.914 62.300 0.009 0.000 0.964 295 V CB 1.538 33.391 31.823 0.049 0.000 1.029 295 V HN 0.763 nan 8.190 nan 0.000 0.427 296 Y N 4.382 124.687 120.300 0.009 0.000 2.383 296 Y HA 0.706 5.256 4.550 0.000 0.000 0.344 296 Y C -1.181 174.826 175.900 0.179 0.000 0.986 296 Y CA -1.209 56.926 58.100 0.058 0.000 1.175 296 Y CB 1.064 39.539 38.460 0.025 0.000 1.152 296 Y HN 0.847 nan 8.280 nan 0.000 0.511 297 Y N 6.778 126.910 120.300 -0.279 0.000 2.354 297 Y HA 0.383 4.933 4.550 -0.000 0.000 0.330 297 Y C -0.290 175.475 175.900 -0.225 0.000 1.011 297 Y CA -1.627 56.340 58.100 -0.221 0.000 1.099 297 Y CB 0.783 39.230 38.460 -0.021 0.000 1.179 297 Y HN 0.680 nan 8.280 nan 0.000 0.442 298 L N 6.586 127.352 121.223 -0.762 0.000 3.833 298 L HA -0.344 3.996 4.340 -0.000 0.000 0.447 298 L C 1.135 177.862 176.870 -0.238 0.000 1.213 298 L CA 1.323 55.810 54.840 -0.587 0.000 0.801 298 L CB -1.556 40.017 42.059 -0.810 0.000 1.676 298 L HN 1.203 nan 8.230 nan 0.000 0.883 299 G N -2.806 105.739 108.800 -0.425 0.000 2.179 299 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 299 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 299 G C -0.267 174.635 174.900 0.003 0.000 0.977 299 G CA 0.266 45.307 45.100 -0.097 0.000 0.641 299 G HN 0.405 nan 8.290 nan 0.000 0.533 300 W N -0.773 120.491 121.300 -0.059 0.000 2.781 300 W HA 0.676 5.336 4.660 0.000 0.000 0.345 300 W C -0.098 176.492 176.519 0.118 0.000 1.085 300 W CA -0.975 56.425 57.345 0.093 0.000 1.198 300 W CB 1.838 31.375 29.460 0.129 0.000 1.423 300 W HN 0.153 nan 8.180 nan 0.000 0.532 301 V N 4.283 124.384 119.914 0.311 0.000 2.370 301 V HA 0.417 4.537 4.120 -0.000 0.000 0.283 301 V C -0.159 175.877 176.094 -0.096 0.000 1.023 301 V CA -0.915 61.422 62.300 0.062 0.000 0.857 301 V CB 0.545 32.326 31.823 -0.070 0.000 0.985 301 V HN 0.323 nan 8.190 nan 0.000 0.443 302 L N 5.437 126.548 121.223 -0.186 0.000 2.307 302 L HA 0.659 4.999 4.340 -0.000 0.000 0.284 302 L C -0.931 175.755 176.870 -0.305 0.000 1.023 302 L CA -0.205 54.542 54.840 -0.154 0.000 0.810 302 L CB 1.306 43.334 42.059 -0.051 0.000 1.231 302 L HN 0.425 nan 8.230 nan 0.000 0.423 303 F N 2.814 122.836 119.950 0.121 0.000 2.563 303 F HA 0.551 5.078 4.527 -0.000 0.000 0.316 303 F C -2.187 173.743 175.800 0.218 0.000 1.076 303 F CA -2.395 55.727 58.000 0.205 0.000 0.921 303 F CB 1.949 41.132 39.000 0.305 0.000 1.209 303 F HN 0.249 nan 8.300 nan 0.000 0.462 304 P HA 0.432 nan 4.420 nan 0.000 0.279 304 P C -0.966 176.610 177.300 0.459 0.000 1.239 304 P CA -0.041 63.342 63.100 0.471 0.000 0.789 304 P CB 1.618 33.684 31.700 0.609 0.000 0.933 305 I N 0.761 121.564 120.570 0.389 0.000 3.174 305 I HA 0.810 4.980 4.170 -0.000 0.000 0.313 305 I C -1.344 175.057 176.117 0.473 0.000 1.155 305 I CA -1.529 59.985 61.300 0.356 0.000 0.977 305 I CB 2.430 40.523 38.000 0.154 0.000 1.248 305 I HN 0.400 nan 8.210 nan 0.000 0.453 306 Y N 0.751 121.174 120.300 0.205 0.000 2.641 306 Y HA 0.922 5.472 4.550 -0.000 0.000 0.333 306 Y C -0.601 175.506 175.900 0.344 0.000 1.174 306 Y CA -0.337 57.961 58.100 0.329 0.000 1.057 306 Y CB 0.969 39.613 38.460 0.308 0.000 1.322 306 Y HN 1.141 nan 8.280 nan 0.000 0.457 307 G N -0.370 108.714 108.800 0.473 0.000 2.335 307 G HA2 0.515 4.475 3.960 -0.000 0.000 0.291 307 G HA3 0.515 4.475 3.960 -0.000 0.000 0.291 307 G C -1.438 173.716 174.900 0.425 0.000 1.261 307 G CA -0.305 44.975 45.100 0.300 0.000 0.871 307 G HN 1.386 nan 8.290 nan 0.000 0.491 308 G N -0.874 108.082 108.800 0.260 0.000 2.417 308 G HA2 0.634 4.594 3.960 -0.000 0.000 0.320 308 G HA3 0.634 4.594 3.960 -0.000 0.000 0.320 308 G C -0.866 174.037 174.900 0.004 0.000 1.204 308 G CA -0.355 44.893 45.100 0.248 0.000 0.923 308 G HN 0.940 nan 8.290 nan 0.000 0.466 309 V N 3.907 123.758 119.914 -0.106 0.000 2.427 309 V HA 0.300 4.420 4.120 -0.000 0.000 0.286 309 V C 0.590 176.745 176.094 0.102 0.000 1.034 309 V CA -0.636 61.536 62.300 -0.213 0.000 0.893 309 V CB 1.435 33.021 31.823 -0.396 0.000 0.982 309 V HN 0.621 nan 8.190 nan 0.000 0.452 310 I N 4.361 124.938 120.570 0.012 0.000 2.648 310 I HA 0.100 4.270 4.170 -0.000 0.000 0.284 310 I C 0.890 176.902 176.117 -0.174 0.000 1.153 310 I CA 0.167 61.444 61.300 -0.038 0.000 1.426 310 I CB 0.310 38.270 38.000 -0.067 0.000 1.381 310 I HN 0.607 nan 8.210 nan 0.000 0.571 311 K N 5.124 125.169 120.400 -0.591 0.000 2.451 311 K HA 0.147 4.467 4.320 -0.000 0.000 0.280 311 K C 0.925 176.950 176.600 -0.958 0.000 1.020 311 K CA 0.936 56.258 56.287 -1.609 0.000 1.008 311 K CB 0.320 31.940 32.500 -1.468 0.000 0.917 311 K HN 0.941 nan 8.250 nan 0.000 0.478 312 G N 2.403 110.581 108.800 -1.037 0.000 2.213 312 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.226 312 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.226 312 G C 0.196 174.998 174.900 -0.163 0.000 0.992 312 G CA 0.288 45.134 45.100 -0.423 0.000 0.632 312 G HN 0.853 nan 8.290 nan 0.000 0.511 313 T N -0.688 113.807 114.554 -0.099 0.000 2.860 313 T HA 0.611 4.961 4.350 -0.000 0.000 0.299 313 T C 1.614 176.366 174.700 0.086 0.000 1.045 313 T CA 0.800 62.906 62.100 0.009 0.000 1.071 313 T CB 1.538 70.418 68.868 0.020 0.000 0.985 313 T HN 0.346 nan 8.240 nan 0.000 0.537 314 S N 0.647 116.384 115.700 0.063 0.000 2.365 314 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 314 S C 1.868 176.519 174.600 0.085 0.000 1.039 314 S CA 1.210 59.451 58.200 0.068 0.000 1.033 314 S CB -0.711 62.515 63.200 0.045 0.000 0.887 314 S HN 0.657 nan 8.310 nan 0.000 0.447 315 L N 2.012 123.277 121.223 0.071 0.000 1.990 315 L HA -0.114 4.226 4.340 -0.000 0.000 0.213 315 L C 2.078 178.995 176.870 0.077 0.000 1.072 315 L CA 1.874 56.738 54.840 0.040 0.000 0.755 315 L CB -1.067 40.980 42.059 -0.021 0.000 0.889 315 L HN 0.578 nan 8.230 nan 0.000 0.432 316 W N 0.765 122.024 121.300 -0.068 0.000 2.318 316 W HA -0.278 4.382 4.660 -0.000 0.000 0.313 316 W C 2.217 178.741 176.519 0.009 0.000 1.221 316 W CA 2.052 59.384 57.345 -0.020 0.000 1.266 316 W CB -0.632 28.825 29.460 -0.005 0.000 1.150 316 W HN 0.370 nan 8.180 nan 0.000 0.496 317 N N 0.654 119.578 118.700 0.373 0.000 2.142 317 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 317 N C 1.240 176.799 175.510 0.082 0.000 1.023 317 N CA 1.584 54.779 53.050 0.243 0.000 0.852 317 N CB -1.085 37.510 38.487 0.179 0.000 0.998 317 N HN 0.243 nan 8.380 nan 0.000 0.424 318 N N 0.879 119.608 118.700 0.048 0.000 2.381 318 N HA -0.120 4.620 4.740 -0.000 0.000 0.182 318 N C 1.397 176.878 175.510 -0.048 0.000 1.025 318 N CA 0.672 53.721 53.050 -0.001 0.000 0.888 318 N CB -0.019 38.465 38.487 -0.005 0.000 0.965 318 N HN 0.310 nan 8.380 nan 0.000 0.438 319 Q N 0.469 120.218 119.800 -0.084 0.000 2.408 319 Q HA 0.306 4.646 4.340 -0.000 0.000 0.205 319 Q C -0.157 175.727 176.000 -0.193 0.000 0.919 319 Q CA -0.185 55.517 55.803 -0.168 0.000 0.932 319 Q CB 0.189 28.793 28.738 -0.223 0.000 1.058 319 Q HN 0.248 nan 8.270 nan 0.000 0.517 320 A N 1.336 124.073 122.820 -0.139 0.000 2.566 320 A HA 0.014 4.334 4.320 -0.000 0.000 0.245 320 A C 0.431 177.990 177.584 -0.042 0.000 1.056 320 A CA 0.826 52.807 52.037 -0.092 0.000 0.757 320 A CB -0.403 18.594 19.000 -0.005 0.000 0.979 320 A HN 0.678 nan 8.150 nan 0.000 0.508 321 N N -0.337 118.360 118.700 -0.006 0.000 2.948 321 N HA -0.145 4.595 4.740 -0.000 0.000 0.239 321 N C -0.214 175.337 175.510 0.068 0.000 0.954 321 N CA 1.457 54.537 53.050 0.049 0.000 0.941 321 N CB -0.717 37.799 38.487 0.048 0.000 1.101 321 N HN 0.840 nan 8.380 nan 0.000 0.579 322 K N 0.157 120.519 120.400 -0.062 0.000 2.087 322 K HA 0.438 4.758 4.320 -0.000 0.000 0.255 322 K C -0.411 176.096 176.600 -0.156 0.000 0.988 322 K CA -0.120 56.077 56.287 -0.150 0.000 0.915 322 K CB 0.857 33.210 32.500 -0.245 0.000 1.043 322 K HN 0.267 nan 8.250 nan 0.000 0.457 323 Y N -1.246 118.985 120.300 -0.114 0.000 2.702 323 Y HA 0.577 5.127 4.550 -0.000 0.000 0.336 323 Y C -1.994 174.074 175.900 0.281 0.000 1.203 323 Y CA -1.619 56.521 58.100 0.066 0.000 1.072 323 Y CB 0.805 39.368 38.460 0.171 0.000 1.327 323 Y HN 0.462 nan 8.280 nan 0.000 0.456 324 F N 3.056 123.221 119.950 0.358 0.000 2.556 324 F HA 0.821 5.348 4.527 -0.000 0.000 0.314 324 F C -1.810 174.214 175.800 0.373 0.000 1.106 324 F CA -1.828 56.298 58.000 0.209 0.000 0.911 324 F CB 1.531 40.631 39.000 0.166 0.000 1.190 324 F HN 0.549 nan 8.300 nan 0.000 0.448 325 I N 7.009 127.242 120.570 -0.561 0.000 2.439 325 I HA 0.315 4.485 4.170 -0.000 0.000 0.283 325 I C -2.397 173.186 176.117 -0.889 0.000 1.023 325 I CA -2.013 59.052 61.300 -0.392 0.000 1.100 325 I CB 1.858 39.832 38.000 -0.042 0.000 1.238 325 I HN 0.420 nan 8.210 nan 0.000 0.445 326 P HA -0.057 nan 4.420 nan 0.000 0.263 326 P C 0.588 177.586 177.300 -0.503 0.000 1.175 326 P CA 0.241 62.873 63.100 -0.781 0.000 0.761 326 P CB 0.589 31.664 31.700 -1.041 0.000 0.794 327 Q N 2.479 122.107 119.800 -0.287 0.000 2.268 327 Q HA -0.206 4.134 4.340 -0.000 0.000 0.210 327 Q C 1.085 177.006 176.000 -0.132 0.000 0.988 327 Q CA 1.623 57.335 55.803 -0.151 0.000 0.883 327 Q CB -0.154 28.555 28.738 -0.048 0.000 0.911 327 Q HN 0.520 nan 8.270 nan 0.000 0.430 328 M N -1.130 118.378 119.600 -0.153 0.000 2.383 328 M HA 0.020 4.500 4.480 -0.000 0.000 0.247 328 M C 1.228 177.465 176.300 -0.105 0.000 1.117 328 M CA -0.221 55.039 55.300 -0.067 0.000 0.995 328 M CB 0.918 33.549 32.600 0.052 0.000 1.480 328 M HN 0.013 nan 8.290 nan 0.000 0.485 329 V N 0.238 119.968 119.914 -0.307 0.000 2.453 329 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 329 V C 2.575 178.618 176.094 -0.085 0.000 1.048 329 V CA 1.967 64.093 62.300 -0.290 0.000 1.049 329 V CB -0.854 30.732 31.823 -0.396 0.000 0.672 329 V HN 0.543 nan 8.190 nan 0.000 0.457 330 A N 0.613 123.379 122.820 -0.090 0.000 1.859 330 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 330 A C 2.406 179.980 177.584 -0.016 0.000 1.198 330 A CA 2.484 54.490 52.037 -0.051 0.000 0.629 330 A CB -1.070 17.900 19.000 -0.050 0.000 0.830 330 A HN 0.617 nan 8.150 nan 0.000 0.446 331 A N -1.272 121.546 122.820 -0.004 0.000 2.125 331 A HA 0.101 4.421 4.320 -0.000 0.000 0.219 331 A C 1.943 179.549 177.584 0.037 0.000 1.156 331 A CA 1.477 53.523 52.037 0.014 0.000 0.671 331 A CB -0.434 18.576 19.000 0.017 0.000 0.794 331 A HN 0.498 nan 8.150 nan 0.000 0.459 332 L N -1.972 119.289 121.223 0.063 0.000 2.609 332 L HA 0.154 4.494 4.340 -0.000 0.000 0.230 332 L C 0.878 177.806 176.870 0.096 0.000 1.087 332 L CA -0.354 54.547 54.840 0.101 0.000 0.874 332 L CB 0.365 42.538 42.059 0.191 0.000 1.114 332 L HN 0.425 nan 8.230 nan 0.000 0.488 333 C N 0.166 119.506 119.300 0.066 0.000 2.350 333 C HA 0.304 4.764 4.460 -0.000 0.000 0.348 333 C C 2.049 177.043 174.990 0.007 0.000 1.260 333 C CA -0.138 58.905 59.018 0.043 0.000 1.966 333 C CB 1.045 28.791 27.740 0.010 0.000 2.380 333 C HN 0.502 nan 8.230 nan 0.000 0.535 334 S N 3.727 119.429 115.700 0.003 0.000 2.496 334 S HA 0.030 4.500 4.470 -0.000 0.000 0.224 334 S C 0.537 175.122 174.600 -0.026 0.000 0.996 334 S CA 0.207 58.401 58.200 -0.008 0.000 0.927 334 S CB -0.232 62.966 63.200 -0.003 0.000 0.774 334 S HN 0.918 nan 8.310 nan 0.000 0.524 335 Q N 2.300 122.074 119.800 -0.044 0.000 2.417 335 Q HA 0.298 4.638 4.340 -0.000 0.000 0.241 335 Q C -0.247 175.714 176.000 -0.065 0.000 1.008 335 Q CA -0.439 55.327 55.803 -0.063 0.000 0.901 335 Q CB 0.233 28.913 28.738 -0.096 0.000 1.259 335 Q HN 0.675 nan 8.270 nan 0.000 0.489 336 N N -0.146 118.515 118.700 -0.065 0.000 2.463 336 N HA -0.036 4.704 4.740 -0.000 0.000 0.270 336 N C 0.409 175.871 175.510 -0.080 0.000 1.205 336 N CA -0.382 52.631 53.050 -0.061 0.000 0.974 336 N CB 0.620 39.078 38.487 -0.049 0.000 1.197 336 N HN 0.446 nan 8.380 nan 0.000 0.504 337 Q N 0.590 120.349 119.800 -0.069 0.000 2.173 337 Q HA -0.153 4.187 4.340 -0.000 0.000 0.208 337 Q C 1.754 177.693 176.000 -0.100 0.000 0.989 337 Q CA 2.531 58.287 55.803 -0.078 0.000 0.872 337 Q CB -0.836 27.872 28.738 -0.050 0.000 0.909 337 Q HN 0.822 nan 8.270 nan 0.000 0.420 338 A N -1.420 121.348 122.820 -0.086 0.000 1.930 338 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 338 A C 2.253 179.763 177.584 -0.122 0.000 1.175 338 A CA 1.789 53.770 52.037 -0.095 0.000 0.627 338 A CB -0.720 18.240 19.000 -0.066 0.000 0.815 338 A HN 0.444 nan 8.150 nan 0.000 0.443 339 T N -0.127 114.357 114.554 -0.116 0.000 2.812 339 T HA -0.128 4.222 4.350 -0.000 0.000 0.264 339 T C 2.085 176.675 174.700 -0.184 0.000 1.042 339 T CA 1.563 63.587 62.100 -0.127 0.000 1.140 339 T CB -0.213 68.592 68.868 -0.105 0.000 0.870 339 T HN 0.586 nan 8.240 nan 0.000 0.445 340 Q N 0.338 120.014 119.800 -0.207 0.000 2.030 340 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 340 Q C 2.565 178.357 176.000 -0.348 0.000 0.986 340 Q CA 1.318 56.947 55.803 -0.290 0.000 0.843 340 Q CB -0.475 28.111 28.738 -0.252 0.000 0.904 340 Q HN 0.318 nan 8.270 nan 0.000 0.420 341 V N 1.132 120.835 119.914 -0.353 0.000 2.282 341 V HA -0.341 3.779 4.120 -0.000 0.000 0.249 341 V C 2.372 178.171 176.094 -0.491 0.000 1.057 341 V CA 2.308 64.253 62.300 -0.591 0.000 1.032 341 V CB -0.729 30.800 31.823 -0.491 0.000 0.645 341 V HN 0.460 nan 8.190 nan 0.000 0.447 342 Q N -0.065 119.564 119.800 -0.284 0.000 2.050 342 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 342 Q C 2.154 178.071 176.000 -0.137 0.000 0.980 342 Q CA 1.950 57.648 55.803 -0.175 0.000 0.840 342 Q CB -0.124 28.542 28.738 -0.120 0.000 0.898 342 Q HN 0.660 nan 8.270 nan 0.000 0.424 343 N N 0.402 118.995 118.700 -0.179 0.000 2.142 343 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 343 N C 1.695 177.114 175.510 -0.151 0.000 1.023 343 N CA 1.251 54.203 53.050 -0.162 0.000 0.852 343 N CB -0.393 37.944 38.487 -0.250 0.000 0.998 343 N HN 0.354 nan 8.380 nan 0.000 0.424 344 A N 1.919 124.599 122.820 -0.234 0.000 1.908 344 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 344 A C 2.132 179.882 177.584 0.277 0.000 1.181 344 A CA 1.475 53.498 52.037 -0.024 0.000 0.627 344 A CB -0.424 18.577 19.000 0.001 0.000 0.818 344 A HN 0.273 nan 8.150 nan 0.000 0.445 345 K N 0.302 120.787 120.400 0.142 0.000 2.097 345 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 345 K C 2.253 179.080 176.600 0.378 0.000 1.049 345 K CA 1.633 58.084 56.287 0.272 0.000 0.933 345 K CB -0.241 32.332 32.500 0.122 0.000 0.717 345 K HN 0.678 nan 8.250 nan 0.000 0.442 346 S N 0.627 116.498 115.700 0.285 0.000 2.489 346 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 346 S C 1.892 176.747 174.600 0.426 0.000 0.995 346 S CA 0.985 59.396 58.200 0.352 0.000 0.934 346 S CB -0.178 63.140 63.200 0.198 0.000 0.771 346 S HN 0.271 nan 8.310 nan 0.000 0.522 347 S N 0.096 116.018 115.700 0.371 0.000 2.547 347 S HA 0.026 4.496 4.470 -0.000 0.000 0.235 347 S C 0.908 175.613 174.600 0.175 0.000 0.980 347 S CA 0.073 58.474 58.200 0.335 0.000 0.941 347 S CB -0.868 62.464 63.200 0.221 0.000 0.763 347 S HN 0.640 nan 8.310 nan 0.000 0.532 348 Y N 0.427 120.764 120.300 0.063 0.000 2.461 348 Y HA 0.416 4.966 4.550 -0.000 0.000 0.277 348 Y C -0.310 175.335 175.900 -0.425 0.000 1.182 348 Y CA -0.930 57.039 58.100 -0.218 0.000 1.276 348 Y CB -0.228 37.948 38.460 -0.473 0.000 1.087 348 Y HN 0.252 nan 8.280 nan 0.000 0.519 349 Y N -0.951 119.533 120.300 0.306 0.000 2.361 349 Y HA 0.498 5.048 4.550 -0.000 0.000 0.337 349 Y C -0.055 175.825 175.900 -0.032 0.000 0.965 349 Y CA -1.585 56.602 58.100 0.145 0.000 1.091 349 Y CB 2.026 40.521 38.460 0.059 0.000 1.182 349 Y HN -0.289 nan 8.280 nan 0.000 0.450 350 S N 1.070 116.860 115.700 0.150 0.000 2.530 350 S HA 0.303 4.773 4.470 -0.000 0.000 0.322 350 S C 0.733 175.315 174.600 -0.030 0.000 1.085 350 S CA -0.194 57.945 58.200 -0.101 0.000 1.096 350 S CB 0.627 64.005 63.200 0.296 0.000 0.988 350 S HN 0.773 nan 8.310 nan 0.000 0.466 351 S N 5.149 120.772 115.700 -0.130 0.000 2.436 351 S HA -0.044 4.426 4.470 -0.000 0.000 0.228 351 S C 1.534 176.216 174.600 0.138 0.000 1.014 351 S CA -0.149 58.058 58.200 0.011 0.000 0.950 351 S CB -0.475 62.728 63.200 0.005 0.000 0.784 351 S HN 0.912 nan 8.310 nan 0.000 0.504 352 W N 1.266 122.556 121.300 -0.015 0.000 2.436 352 W HA 0.166 4.826 4.660 -0.000 0.000 0.284 352 W C -0.618 176.049 176.519 0.247 0.000 1.225 352 W CA 0.267 57.660 57.345 0.079 0.000 1.271 352 W CB 0.054 29.471 29.460 -0.072 0.000 1.114 352 W HN 0.204 nan 8.180 nan 0.000 0.559 353 F N 1.703 121.663 119.950 0.017 0.000 2.508 353 F HA 0.355 4.882 4.527 -0.000 0.000 0.329 353 F C 1.348 176.919 175.800 -0.382 0.000 1.198 353 F CA -0.592 57.264 58.000 -0.240 0.000 1.268 353 F CB -0.268 38.423 39.000 -0.515 0.000 1.584 353 F HN 0.101 nan 8.300 nan 0.000 0.570 354 G N 2.136 110.399 108.800 -0.894 0.000 2.296 354 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.282 354 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.282 354 G C 0.675 175.317 174.900 -0.430 0.000 1.014 354 G CA 0.632 44.899 45.100 -1.389 0.000 0.812 354 G HN 0.743 nan 8.290 nan 0.000 0.508 355 N N -1.780 116.828 118.700 -0.154 0.000 2.740 355 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 355 N C 0.716 176.334 175.510 0.180 0.000 1.062 355 N CA 1.291 54.362 53.050 0.035 0.000 0.704 355 N CB -0.141 38.349 38.487 0.006 0.000 0.968 355 N HN 0.642 nan 8.380 nan 0.000 0.547 356 R N 0.372 121.014 120.500 0.235 0.000 2.691 356 R HA 0.460 4.800 4.340 -0.000 0.000 0.259 356 R C 0.405 176.970 176.300 0.441 0.000 1.048 356 R CA -0.781 55.536 56.100 0.361 0.000 1.086 356 R CB 0.562 31.048 30.300 0.310 0.000 1.166 356 R HN 0.283 nan 8.270 nan 0.000 0.526 357 M N 2.720 122.566 119.600 0.409 0.000 2.094 357 M HA 0.227 4.707 4.480 -0.000 0.000 0.348 357 M C -0.607 175.756 176.300 0.105 0.000 1.267 357 M CA -0.580 54.781 55.300 0.103 0.000 1.125 357 M CB 0.379 32.895 32.600 -0.140 0.000 1.527 357 M HN 0.261 nan 8.290 nan 0.000 0.447 358 I N 4.685 125.363 120.570 0.179 0.000 2.578 358 I HA 0.089 4.259 4.170 -0.000 0.000 0.286 358 I C 0.051 176.300 176.117 0.221 0.000 1.126 358 I CA 0.376 61.841 61.300 0.276 0.000 1.380 358 I CB -0.380 37.813 38.000 0.322 0.000 1.408 358 I HN 0.705 nan 8.210 nan 0.000 0.532 359 Q N 4.702 124.638 119.800 0.226 0.000 2.342 359 Q HA 0.520 4.860 4.340 -0.000 0.000 0.267 359 Q C -0.911 175.354 176.000 0.442 0.000 1.038 359 Q CA -0.331 55.606 55.803 0.222 0.000 0.832 359 Q CB 1.966 30.659 28.738 -0.075 0.000 1.323 359 Q HN 0.643 nan 8.270 nan 0.000 0.448 360 S N 0.896 116.838 115.700 0.403 0.000 2.593 360 S HA 0.996 5.466 4.470 -0.000 0.000 0.297 360 S C -0.655 174.229 174.600 0.474 0.000 1.112 360 S CA 0.115 58.596 58.200 0.468 0.000 1.043 360 S CB 1.456 64.886 63.200 0.384 0.000 1.054 360 S HN 0.833 nan 8.310 nan 0.000 0.516 361 G N 0.893 109.918 108.800 0.375 0.000 2.490 361 G HA2 0.573 4.533 3.960 -0.000 0.000 0.308 361 G HA3 0.573 4.533 3.960 -0.000 0.000 0.308 361 G C -2.025 172.791 174.900 -0.139 0.000 1.286 361 G CA -0.609 44.491 45.100 -0.001 0.000 0.825 361 G HN 0.628 nan 8.290 nan 0.000 0.479 362 I N 0.067 120.458 120.570 -0.297 0.000 2.647 362 I HA 0.458 4.628 4.170 -0.000 0.000 0.295 362 I C -1.280 174.760 176.117 -0.129 0.000 1.078 362 I CA -0.846 60.339 61.300 -0.192 0.000 1.048 362 I CB 2.383 40.179 38.000 -0.340 0.000 1.239 362 I HN 0.398 nan 8.210 nan 0.000 0.421 363 L N 6.110 127.329 121.223 -0.007 0.000 2.280 363 L HA 0.746 5.086 4.340 -0.000 0.000 0.287 363 L C -0.281 176.603 176.870 0.024 0.000 1.023 363 L CA -0.089 54.734 54.840 -0.028 0.000 0.819 363 L CB 1.226 43.254 42.059 -0.052 0.000 1.212 363 L HN 0.657 nan 8.230 nan 0.000 0.420 364 A N 5.007 127.827 122.820 -0.001 0.000 2.258 364 A HA 0.667 4.987 4.320 -0.000 0.000 0.316 364 A C -0.777 177.021 177.584 0.357 0.000 1.279 364 A CA -0.414 51.691 52.037 0.114 0.000 0.876 364 A CB 0.373 19.295 19.000 -0.130 0.000 1.170 364 A HN 0.767 nan 8.150 nan 0.000 0.520 365 c N 5.017 123.857 118.600 0.401 0.000 2.369 365 c HA 0.657 5.227 4.570 -0.000 0.000 0.322 365 c C -2.361 171.775 174.090 0.077 0.000 1.258 365 c CA -1.087 55.399 56.329 0.261 0.000 1.487 365 c CB 1.692 44.291 42.510 0.147 0.000 2.165 365 c HN 0.743 nan 8.230 nan 0.000 0.483 366 P HA 0.103 nan 4.420 nan 0.000 0.275 366 P C -0.638 176.473 177.300 -0.315 0.000 1.227 366 P CA -0.284 62.311 63.100 -0.843 0.000 0.781 366 P CB 0.829 31.877 31.700 -1.087 0.000 0.906 367 L N 5.240 126.339 121.223 -0.208 0.000 2.623 367 L HA 0.128 4.468 4.340 -0.000 0.000 0.281 367 L C 0.326 177.154 176.870 -0.071 0.000 1.150 367 L CA 0.775 55.576 54.840 -0.065 0.000 0.965 367 L CB -1.248 40.818 42.059 0.011 0.000 1.303 367 L HN 0.373 nan 8.230 nan 0.000 0.467 368 R N 3.059 123.530 120.500 -0.048 0.000 2.739 368 R HA 0.326 4.666 4.340 -0.000 0.000 0.271 368 R C -0.029 176.278 176.300 0.013 0.000 1.010 368 R CA -0.666 55.416 56.100 -0.029 0.000 0.897 368 R CB 1.366 31.627 30.300 -0.065 0.000 1.236 368 R HN 0.461 nan 8.270 nan 0.000 0.466 369 Q N 0.764 120.580 119.800 0.028 0.000 2.319 369 Q HA 0.011 4.351 4.340 -0.000 0.000 0.202 369 Q C -0.311 175.701 176.000 0.020 0.000 0.896 369 Q CA 0.426 56.258 55.803 0.050 0.000 0.942 369 Q CB 0.541 29.321 28.738 0.070 0.000 1.083 369 Q HN 0.503 nan 8.270 nan 0.000 0.510 370 D N -0.407 119.994 120.400 0.001 0.000 2.720 370 D HA 0.084 4.724 4.640 -0.000 0.000 0.285 370 D C -0.138 176.156 176.300 -0.011 0.000 1.359 370 D CA -0.285 53.713 54.000 -0.005 0.000 0.818 370 D CB -0.153 40.642 40.800 -0.009 0.000 1.108 370 D HN 0.089 nan 8.370 nan 0.000 0.474 371 L N 1.212 122.427 121.223 -0.012 0.000 2.525 371 L HA 0.068 4.408 4.340 -0.000 0.000 0.278 371 L C 1.691 178.554 176.870 -0.011 0.000 1.218 371 L CA 0.859 55.690 54.840 -0.017 0.000 0.878 371 L CB 0.679 42.728 42.059 -0.016 0.000 1.127 371 L HN 0.253 nan 8.230 nan 0.000 0.492 372 T N -2.497 112.050 114.554 -0.011 0.000 3.536 372 T HA 0.069 4.419 4.350 -0.000 0.000 0.242 372 T C 0.678 175.373 174.700 -0.008 0.000 0.980 372 T CA 0.183 62.279 62.100 -0.008 0.000 1.132 372 T CB 0.169 69.034 68.868 -0.005 0.000 1.185 372 T HN 0.572 nan 8.240 nan 0.000 0.374 373 N N 0.867 119.564 118.700 -0.003 0.000 2.466 373 N HA 0.287 5.027 4.740 -0.000 0.000 0.272 373 N C -0.009 175.510 175.510 0.015 0.000 1.455 373 N CA -0.201 52.849 53.050 0.001 0.000 0.875 373 N CB 0.585 39.074 38.487 0.003 0.000 1.372 373 N HN 0.431 nan 8.380 nan 0.000 0.492 374 E N -0.029 120.181 120.200 0.017 0.000 2.340 374 E HA 0.205 4.555 4.350 -0.000 0.000 0.194 374 E C -0.006 176.658 176.600 0.107 0.000 0.996 374 E CA 0.157 56.585 56.400 0.047 0.000 0.869 374 E CB 0.182 29.882 29.700 0.000 0.000 0.835 374 E HN 0.343 nan 8.360 nan 0.000 0.493 375 c N 1.406 120.045 118.600 0.066 0.000 2.676 375 c HA 0.222 4.792 4.570 -0.000 0.000 0.416 375 c C 0.335 174.461 174.090 0.059 0.000 1.299 375 c CA -0.511 55.873 56.329 0.093 0.000 2.048 375 c CB -0.631 41.875 42.510 -0.007 0.000 2.713 375 c HN 0.300 nan 8.230 nan 0.000 0.624 376 L N 2.972 124.228 121.223 0.055 0.000 2.362 376 L HA 0.510 4.850 4.340 -0.000 0.000 0.275 376 L C -0.431 176.378 176.870 -0.102 0.000 0.998 376 L CA -0.516 54.302 54.840 -0.036 0.000 0.820 376 L CB 1.216 43.227 42.059 -0.080 0.000 1.270 376 L HN 0.345 nan 8.230 nan 0.000 0.415 377 V N 5.067 124.911 119.914 -0.117 0.000 2.368 377 V HA 0.284 4.404 4.120 -0.000 0.000 0.266 377 V C 0.100 176.124 176.094 -0.117 0.000 1.045 377 V CA -0.125 62.083 62.300 -0.153 0.000 0.899 377 V CB 1.132 32.828 31.823 -0.213 0.000 1.006 377 V HN 0.485 nan 8.190 nan 0.000 0.470 378 L N 8.920 130.041 121.223 -0.171 0.000 2.324 378 L HA 0.459 4.799 4.340 -0.000 0.000 0.274 378 L C -2.296 174.428 176.870 -0.243 0.000 1.012 378 L CA -1.562 53.146 54.840 -0.219 0.000 0.859 378 L CB 2.001 43.859 42.059 -0.335 0.000 1.224 378 L HN 0.423 nan 8.230 nan 0.000 0.429 379 P HA 0.207 nan 4.420 nan 0.000 0.282 379 P C -0.665 176.535 177.300 -0.167 0.000 1.249 379 P CA -0.398 62.690 63.100 -0.021 0.000 0.806 379 P CB 1.004 32.810 31.700 0.176 0.000 0.984 380 F N 0.483 120.383 119.950 -0.084 0.000 2.450 380 F HA 0.140 4.667 4.527 -0.000 0.000 0.339 380 F C 1.785 177.502 175.800 -0.139 0.000 1.146 380 F CA 0.442 58.340 58.000 -0.170 0.000 1.267 380 F CB 0.470 39.323 39.000 -0.246 0.000 1.178 380 F HN 0.200 nan 8.300 nan 0.000 0.585 381 S N 1.819 117.553 115.700 0.056 0.000 2.528 381 S HA 0.092 4.562 4.470 -0.000 0.000 0.277 381 S C 0.847 175.403 174.600 -0.074 0.000 1.297 381 S CA -0.798 57.376 58.200 -0.043 0.000 1.052 381 S CB 0.099 63.254 63.200 -0.076 0.000 0.917 381 S HN 0.556 nan 8.310 nan 0.000 0.492 382 N N 3.763 122.382 118.700 -0.134 0.000 2.567 382 N HA 0.022 4.762 4.740 -0.000 0.000 0.195 382 N C 0.234 175.630 175.510 -0.190 0.000 1.242 382 N CA 0.312 53.237 53.050 -0.208 0.000 0.884 382 N CB 0.021 38.156 38.487 -0.586 0.000 1.007 382 N HN 0.588 nan 8.380 nan 0.000 0.450 383 D N -0.219 120.088 120.400 -0.154 0.000 2.367 383 D HA 0.076 4.716 4.640 -0.000 0.000 0.207 383 D C 1.013 177.268 176.300 -0.075 0.000 1.034 383 D CA 0.495 54.414 54.000 -0.134 0.000 0.861 383 D CB 0.509 41.216 40.800 -0.154 0.000 0.943 383 D HN 0.418 nan 8.370 nan 0.000 0.515 384 Q N -0.567 119.086 119.800 -0.245 0.000 2.211 384 Q HA 0.229 4.569 4.340 -0.000 0.000 0.242 384 Q C 0.002 175.407 176.000 -0.992 0.000 0.825 384 Q CA 0.097 55.539 55.803 -0.602 0.000 0.951 384 Q CB 2.532 31.045 28.738 -0.375 0.000 1.130 384 Q HN -0.088 nan 8.270 nan 0.000 0.496 385 V N 1.098 120.706 119.914 -0.510 0.000 2.962 385 V HA 0.373 4.493 4.120 -0.000 0.000 0.313 385 V C -0.225 175.965 176.094 0.159 0.000 1.099 385 V CA -0.854 61.227 62.300 -0.364 0.000 0.971 385 V CB 2.393 33.901 31.823 -0.526 0.000 1.028 385 V HN 0.122 nan 8.190 nan 0.000 0.430 386 L N 1.848 123.186 121.223 0.192 0.000 2.600 386 L HA 0.448 4.788 4.340 -0.000 0.000 0.221 386 L C 0.691 177.538 176.870 -0.039 0.000 1.197 386 L CA -0.459 54.450 54.840 0.116 0.000 0.838 386 L CB 0.313 42.356 42.059 -0.027 0.000 1.474 386 L HN 0.614 nan 8.230 nan 0.000 0.514 387 M N 0.892 120.249 119.600 -0.405 0.000 2.248 387 M HA 0.056 4.536 4.480 -0.000 0.000 0.343 387 M C 0.536 176.828 176.300 -0.014 0.000 1.243 387 M CA 0.171 55.297 55.300 -0.289 0.000 1.025 387 M CB 0.434 32.844 32.600 -0.316 0.000 1.759 387 M HN 0.608 nan 8.290 nan 0.000 0.452 388 G N 3.738 112.624 108.800 0.143 0.000 2.368 388 G HA2 0.397 4.357 3.960 -0.000 0.000 0.233 388 G HA3 0.397 4.357 3.960 -0.000 0.000 0.233 388 G C -0.565 174.431 174.900 0.160 0.000 1.267 388 G CA 0.111 45.356 45.100 0.242 0.000 0.873 388 G HN 1.095 nan 8.290 nan 0.000 0.539 389 A N 1.953 124.777 122.820 0.007 0.000 2.557 389 A HA 0.710 5.030 4.320 -0.000 0.000 0.292 389 A C -0.140 177.039 177.584 -0.676 0.000 1.139 389 A CA -0.770 51.038 52.037 -0.381 0.000 0.665 389 A CB 0.655 19.510 19.000 -0.241 0.000 1.285 389 A HN 0.682 nan 8.150 nan 0.000 0.433 390 E N -0.729 119.012 120.200 -0.765 0.000 2.425 390 E HA 0.409 4.759 4.350 -0.000 0.000 0.258 390 E C 0.378 176.966 176.600 -0.020 0.000 1.151 390 E CA 0.846 57.058 56.400 -0.313 0.000 0.958 390 E CB 0.564 30.276 29.700 0.020 0.000 0.968 390 E HN 1.021 nan 8.360 nan 0.000 0.451 391 G N 0.063 109.017 108.800 0.257 0.000 2.550 391 G HA2 0.497 4.457 3.960 -0.000 0.000 0.293 391 G HA3 0.497 4.457 3.960 -0.000 0.000 0.293 391 G C -1.603 173.579 174.900 0.469 0.000 1.402 391 G CA -0.786 44.446 45.100 0.219 0.000 0.784 391 G HN 0.401 nan 8.290 nan 0.000 0.482 392 R N -0.694 120.051 120.500 0.409 0.000 2.698 392 R HA 0.695 5.035 4.340 -0.000 0.000 0.275 392 R C -1.547 174.980 176.300 0.378 0.000 1.001 392 R CA -0.771 55.549 56.100 0.367 0.000 0.896 392 R CB 1.789 32.241 30.300 0.254 0.000 1.218 392 R HN 0.442 nan 8.270 nan 0.000 0.462 393 L N 3.632 124.996 121.223 0.235 0.000 2.334 393 L HA 0.576 4.916 4.340 -0.000 0.000 0.276 393 L C -1.230 175.681 176.870 0.068 0.000 1.014 393 L CA -0.830 54.192 54.840 0.303 0.000 0.815 393 L CB 1.539 43.748 42.059 0.250 0.000 1.268 393 L HN 0.624 nan 8.230 nan 0.000 0.428 394 Y N 1.847 122.236 120.300 0.149 0.000 2.633 394 Y HA 0.653 5.203 4.550 -0.000 0.000 0.339 394 Y C -0.289 175.530 175.900 -0.136 0.000 1.045 394 Y CA -1.034 57.023 58.100 -0.072 0.000 1.098 394 Y CB 2.023 40.294 38.460 -0.315 0.000 1.296 394 Y HN 0.388 nan 8.280 nan 0.000 0.494 395 M N 1.680 121.178 119.600 -0.170 0.000 2.151 395 M HA 0.444 4.924 4.480 -0.000 0.000 0.290 395 M C -2.327 173.697 176.300 -0.460 0.000 0.965 395 M CA -0.596 54.615 55.300 -0.149 0.000 0.930 395 M CB 0.807 33.397 32.600 -0.017 0.000 1.560 395 M HN 0.509 nan 8.290 nan 0.000 0.438 396 Y N 4.254 124.424 120.300 -0.217 0.000 2.464 396 Y HA 0.633 5.183 4.550 -0.000 0.000 0.326 396 Y C 1.020 176.765 175.900 -0.259 0.000 0.969 396 Y CA 0.131 57.891 58.100 -0.566 0.000 1.270 396 Y CB 1.092 38.768 38.460 -1.307 0.000 1.103 396 Y HN 0.966 nan 8.280 nan 0.000 0.491 397 G N 2.579 111.354 108.800 -0.041 0.000 2.596 397 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.304 397 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.304 397 G C 0.612 175.577 174.900 0.108 0.000 1.189 397 G CA 0.681 45.816 45.100 0.058 0.000 0.986 397 G HN 0.534 nan 8.290 nan 0.000 0.548 398 D N 1.243 121.734 120.400 0.151 0.000 2.349 398 D HA 0.296 4.936 4.640 -0.000 0.000 0.214 398 D C 0.783 177.226 176.300 0.239 0.000 1.063 398 D CA 0.766 54.882 54.000 0.192 0.000 0.847 398 D CB 0.379 41.274 40.800 0.159 0.000 0.933 398 D HN 0.260 nan 8.370 nan 0.000 0.513 399 S N 0.406 116.250 115.700 0.239 0.000 2.508 399 S HA 0.371 4.841 4.470 -0.000 0.000 0.284 399 S C 0.219 174.988 174.600 0.282 0.000 1.192 399 S CA -0.650 57.715 58.200 0.276 0.000 1.070 399 S CB 2.567 66.033 63.200 0.444 0.000 1.004 399 S HN -0.148 nan 8.310 nan 0.000 0.493 400 V N 3.842 123.834 119.914 0.129 0.000 2.509 400 V HA 0.422 4.542 4.120 -0.000 0.000 0.284 400 V C -0.944 175.308 176.094 0.264 0.000 1.047 400 V CA -0.378 61.983 62.300 0.103 0.000 0.952 400 V CB 0.463 32.176 31.823 -0.183 0.000 0.988 400 V HN 0.769 nan 8.190 nan 0.000 0.469 401 Y N 3.043 123.484 120.300 0.236 0.000 2.598 401 Y HA 0.651 5.201 4.550 -0.000 0.000 0.340 401 Y C -0.677 175.513 175.900 0.483 0.000 1.038 401 Y CA -1.003 57.299 58.100 0.337 0.000 1.100 401 Y CB 2.044 40.712 38.460 0.347 0.000 1.281 401 Y HN 0.608 nan 8.280 nan 0.000 0.488 402 Y N 2.093 122.644 120.300 0.418 0.000 2.442 402 Y HA 0.461 5.011 4.550 -0.000 0.000 0.344 402 Y C -1.972 174.200 175.900 0.453 0.000 0.976 402 Y CA -1.755 56.590 58.100 0.410 0.000 1.040 402 Y CB 1.144 39.734 38.460 0.218 0.000 1.228 402 Y HN 0.541 nan 8.280 nan 0.000 0.451 403 Y N 5.968 126.179 120.300 -0.148 0.000 2.352 403 Y HA 0.519 5.069 4.550 0.000 0.000 0.339 403 Y C -1.066 174.382 175.900 -0.753 0.000 0.992 403 Y CA -0.671 57.274 58.100 -0.258 0.000 1.100 403 Y CB 1.329 39.816 38.460 0.044 0.000 1.192 403 Y HN 0.721 nan 8.280 nan 0.000 0.458 404 Q N 7.066 126.017 119.800 -1.414 0.000 2.333 404 Q HA 0.341 4.681 4.340 -0.000 0.000 0.268 404 Q C -0.751 174.506 176.000 -1.238 0.000 1.007 404 Q CA -1.072 54.040 55.803 -1.151 0.000 0.810 404 Q CB 1.070 29.532 28.738 -0.461 0.000 1.264 404 Q HN 0.913 nan 8.270 nan 0.000 0.452 405 R N 2.371 122.277 120.500 -0.989 0.000 2.585 405 R HA 0.064 4.404 4.340 -0.000 0.000 0.275 405 R C -0.861 175.219 176.300 -0.366 0.000 1.018 405 R CA 0.423 56.178 56.100 -0.574 0.000 1.072 405 R CB 0.521 30.646 30.300 -0.292 0.000 0.953 405 R HN 0.533 nan 8.270 nan 0.000 0.419 406 S N 3.892 119.436 115.700 -0.260 0.000 3.483 406 S HA 0.059 4.529 4.470 -0.000 0.000 0.274 406 S C 0.161 174.658 174.600 -0.171 0.000 1.289 406 S CA -0.422 57.648 58.200 -0.216 0.000 0.938 406 S CB 0.223 63.293 63.200 -0.217 0.000 1.453 406 S HN 0.630 nan 8.310 nan 0.000 0.494 407 N N 1.331 119.931 118.700 -0.166 0.000 2.230 407 N HA 0.166 4.906 4.740 -0.000 0.000 0.202 407 N C 0.635 176.042 175.510 -0.171 0.000 1.119 407 N CA 0.022 52.996 53.050 -0.126 0.000 0.851 407 N CB 0.446 38.883 38.487 -0.083 0.000 0.990 407 N HN 0.434 nan 8.380 nan 0.000 0.497 408 S N -1.472 114.103 115.700 -0.209 0.000 2.702 408 S HA 0.239 4.709 4.470 -0.000 0.000 0.272 408 S C 0.993 175.506 174.600 -0.145 0.000 1.068 408 S CA -0.707 57.354 58.200 -0.232 0.000 0.964 408 S CB -0.236 62.794 63.200 -0.284 0.000 1.307 408 S HN 0.356 nan 8.310 nan 0.000 0.567 409 W N 0.412 121.656 121.300 -0.093 0.000 2.402 409 W HA 0.079 4.739 4.660 0.000 0.000 0.286 409 W C 0.842 177.432 176.519 0.119 0.000 1.221 409 W CA -0.295 57.046 57.345 -0.007 0.000 1.257 409 W CB -0.914 28.549 29.460 0.005 0.000 1.120 409 W HN 0.479 nan 8.180 nan 0.000 0.551 410 W N 6.420 127.236 121.300 -0.806 0.000 2.388 410 W HA 0.123 4.783 4.660 0.000 0.000 0.308 410 W C -1.667 174.648 176.519 -0.341 0.000 1.263 410 W CA -2.023 54.940 57.345 -0.638 0.000 1.286 410 W CB 1.003 29.837 29.460 -1.043 0.000 1.294 410 W HN -0.236 nan 8.180 nan 0.000 0.493 411 P HA 0.007 nan 4.420 nan 0.000 0.257 411 P C 0.150 177.081 177.300 -0.615 0.000 1.325 411 P CA 0.450 63.259 63.100 -0.485 0.000 0.850 411 P CB 0.279 31.783 31.700 -0.326 0.000 1.324 412 M N -0.267 118.711 119.600 -1.036 0.000 2.478 412 M HA 0.252 4.732 4.480 -0.000 0.000 0.327 412 M C 0.516 176.608 176.300 -0.347 0.000 1.187 412 M CA -0.545 54.333 55.300 -0.703 0.000 1.022 412 M CB 0.229 32.330 32.600 -0.833 0.000 1.629 412 M HN -0.311 nan 8.290 nan 0.000 0.461 413 T N 3.681 118.115 114.554 -0.200 0.000 2.800 413 T HA 0.072 4.422 4.350 -0.000 0.000 0.283 413 T C 0.262 174.863 174.700 -0.165 0.000 0.999 413 T CA 0.345 62.373 62.100 -0.120 0.000 1.176 413 T CB -0.194 68.573 68.868 -0.167 0.000 0.973 413 T HN 0.330 nan 8.240 nan 0.000 0.519 414 M N 5.000 124.499 119.600 -0.168 0.000 2.072 414 M HA 0.416 4.896 4.480 -0.000 0.000 0.331 414 M C -0.662 175.416 176.300 -0.369 0.000 1.004 414 M CA -0.321 54.793 55.300 -0.310 0.000 0.952 414 M CB 0.712 33.155 32.600 -0.262 0.000 1.511 414 M HN 0.453 nan 8.290 nan 0.000 0.422 415 L N 4.227 125.179 121.223 -0.452 0.000 2.365 415 L HA 0.649 4.989 4.340 -0.000 0.000 0.273 415 L C -1.393 175.288 176.870 -0.315 0.000 1.000 415 L CA -0.844 53.863 54.840 -0.222 0.000 0.819 415 L CB 1.930 43.908 42.059 -0.135 0.000 1.284 415 L HN 0.495 nan 8.230 nan 0.000 0.418 416 Y N 0.528 120.865 120.300 0.062 0.000 2.524 416 Y HA 0.405 4.955 4.550 -0.000 0.000 0.347 416 Y C -0.278 175.467 175.900 -0.259 0.000 1.005 416 Y CA -1.108 56.974 58.100 -0.030 0.000 1.025 416 Y CB 1.875 40.264 38.460 -0.118 0.000 1.275 416 Y HN 0.387 nan 8.280 nan 0.000 0.460 417 K N 2.156 122.379 120.400 -0.295 0.000 2.248 417 K HA 0.614 4.934 4.320 -0.000 0.000 0.281 417 K C -1.448 174.945 176.600 -0.346 0.000 1.054 417 K CA -0.369 55.419 56.287 -0.831 0.000 0.903 417 K CB 0.622 32.730 32.500 -0.653 0.000 1.077 417 K HN 0.575 nan 8.250 nan 0.000 0.474 418 V N 3.921 123.690 119.914 -0.242 0.000 2.439 418 V HA 0.215 4.335 4.120 -0.000 0.000 0.282 418 V C -0.142 175.882 176.094 -0.116 0.000 1.039 418 V CA -0.627 61.619 62.300 -0.091 0.000 0.913 418 V CB 1.585 33.413 31.823 0.008 0.000 0.983 418 V HN 0.817 nan 8.190 nan 0.000 0.460 419 T N 6.607 121.099 114.554 -0.103 0.000 2.756 419 T HA 0.591 4.941 4.350 -0.000 0.000 0.290 419 T C -0.165 174.480 174.700 -0.092 0.000 0.985 419 T CA -0.058 61.992 62.100 -0.083 0.000 0.955 419 T CB 0.383 69.203 68.868 -0.080 0.000 0.930 419 T HN 0.381 nan 8.240 nan 0.000 0.451 420 I N 2.985 123.515 120.570 -0.067 0.000 2.359 420 I HA 0.326 4.496 4.170 -0.000 0.000 0.294 420 I C 0.439 176.552 176.117 -0.007 0.000 0.987 420 I CA -0.604 60.635 61.300 -0.102 0.000 1.225 420 I CB 1.552 39.487 38.000 -0.109 0.000 1.366 420 I HN 0.438 nan 8.210 nan 0.000 0.466 421 T N 6.062 120.536 114.554 -0.134 0.000 2.771 421 T HA 0.511 4.861 4.350 -0.000 0.000 0.281 421 T C -0.537 174.060 174.700 -0.172 0.000 0.982 421 T CA -0.296 61.771 62.100 -0.055 0.000 0.978 421 T CB 0.512 69.331 68.868 -0.081 0.000 0.930 421 T HN 0.088 nan 8.240 nan 0.000 0.447 422 F N 1.734 121.625 119.950 -0.098 0.000 2.422 422 F HA 0.504 5.031 4.527 -0.000 0.000 0.333 422 F C 0.984 176.736 175.800 -0.080 0.000 1.095 422 F CA -0.728 57.202 58.000 -0.118 0.000 1.038 422 F CB 1.830 40.766 39.000 -0.107 0.000 1.156 422 F HN 0.337 nan 8.300 nan 0.000 0.483 423 T N 2.803 117.393 114.554 0.060 0.000 2.963 423 T HA 0.271 4.621 4.350 -0.000 0.000 0.328 423 T C -0.471 174.264 174.700 0.059 0.000 1.048 423 T CA -0.890 61.233 62.100 0.038 0.000 1.033 423 T CB -0.057 68.801 68.868 -0.016 0.000 1.010 423 T HN 0.730 nan 8.240 nan 0.000 0.469 424 N N 2.016 120.765 118.700 0.081 0.000 2.862 424 N HA -0.195 4.545 4.740 -0.000 0.000 0.246 424 N C 1.001 176.593 175.510 0.138 0.000 1.111 424 N CA 0.405 53.506 53.050 0.084 0.000 0.688 424 N CB -1.046 37.478 38.487 0.062 0.000 1.018 424 N HN 1.096 nan 8.380 nan 0.000 0.556 425 G N -0.637 108.274 108.800 0.185 0.000 2.189 425 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 425 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 425 G C -0.170 175.016 174.900 0.478 0.000 0.975 425 G CA 0.817 46.085 45.100 0.280 0.000 0.644 425 G HN 0.509 nan 8.290 nan 0.000 0.537 426 Q N 0.002 119.972 119.800 0.284 0.000 2.353 426 Q HA 0.402 4.742 4.340 -0.000 0.000 0.268 426 Q C -2.799 172.894 176.000 -0.512 0.000 1.045 426 Q CA -2.160 53.624 55.803 -0.031 0.000 0.811 426 Q CB 2.569 31.327 28.738 0.034 0.000 1.305 426 Q HN 0.071 nan 8.270 nan 0.000 0.447 427 P HA -0.082 nan 4.420 nan 0.000 0.263 427 P C 0.055 176.953 177.300 -0.670 0.000 1.195 427 P CA 0.647 62.954 63.100 -1.322 0.000 0.762 427 P CB 0.657 31.596 31.700 -1.269 0.000 0.799 428 S N 2.516 117.913 115.700 -0.505 0.000 2.589 428 S HA 0.586 5.056 4.470 -0.000 0.000 0.235 428 S C 0.381 174.831 174.600 -0.250 0.000 1.051 428 S CA 0.150 58.173 58.200 -0.294 0.000 0.978 428 S CB 0.335 63.421 63.200 -0.190 0.000 0.929 428 S HN 0.541 nan 8.310 nan 0.000 0.523 429 A N 1.271 123.918 122.820 -0.288 0.000 2.583 429 A HA 0.631 4.951 4.320 -0.000 0.000 0.298 429 A C -1.183 176.243 177.584 -0.263 0.000 1.055 429 A CA -0.951 50.942 52.037 -0.239 0.000 0.714 429 A CB 0.508 19.409 19.000 -0.165 0.000 1.277 429 A HN 0.875 nan 8.150 nan 0.000 0.406 430 I N -0.956 119.444 120.570 -0.283 0.000 2.646 430 I HA 0.907 5.077 4.170 -0.000 0.000 0.299 430 I C -0.293 175.721 176.117 -0.172 0.000 1.036 430 I CA -0.666 60.463 61.300 -0.284 0.000 1.074 430 I CB 2.222 39.926 38.000 -0.493 0.000 1.258 430 I HN 0.537 nan 8.210 nan 0.000 0.430 431 S N 3.539 119.180 115.700 -0.098 0.000 2.521 431 S HA 0.870 5.340 4.470 -0.000 0.000 0.295 431 S C -0.780 173.803 174.600 -0.027 0.000 1.098 431 S CA -0.402 57.764 58.200 -0.057 0.000 0.999 431 S CB 1.633 64.781 63.200 -0.086 0.000 1.034 431 S HN 1.033 nan 8.310 nan 0.000 0.483 432 A N 3.528 126.314 122.820 -0.058 0.000 2.343 432 A HA 0.712 5.032 4.320 -0.000 0.000 0.316 432 A C -0.701 176.806 177.584 -0.128 0.000 1.104 432 A CA -0.632 51.323 52.037 -0.137 0.000 0.768 432 A CB 1.326 20.053 19.000 -0.455 0.000 1.213 432 A HN 0.788 nan 8.150 nan 0.000 0.456 433 Q N 2.576 122.323 119.800 -0.089 0.000 2.341 433 Q HA 0.238 4.578 4.340 -0.000 0.000 0.268 433 Q C -0.763 175.307 176.000 0.116 0.000 1.013 433 Q CA -0.487 55.256 55.803 -0.100 0.000 0.798 433 Q CB 0.880 29.367 28.738 -0.418 0.000 1.253 433 Q HN 0.888 nan 8.270 nan 0.000 0.457 434 N N 2.979 121.786 118.700 0.178 0.000 2.520 434 N HA 0.101 4.841 4.740 -0.000 0.000 0.273 434 N C -0.848 174.787 175.510 0.208 0.000 1.155 434 N CA -0.142 52.940 53.050 0.054 0.000 0.967 434 N CB 0.958 39.477 38.487 0.053 0.000 1.092 434 N HN 0.362 nan 8.380 nan 0.000 0.457 435 V N 6.285 126.224 119.914 0.042 0.000 2.356 435 V HA 0.199 4.319 4.120 -0.000 0.000 0.258 435 V C -1.808 174.240 176.094 -0.077 0.000 1.065 435 V CA -1.356 60.905 62.300 -0.064 0.000 0.935 435 V CB 0.599 32.318 31.823 -0.175 0.000 1.061 435 V HN 0.661 nan 8.190 nan 0.000 0.484 436 P HA 0.133 nan 4.420 nan 0.000 0.264 436 P C -0.071 177.243 177.300 0.023 0.000 1.229 436 P CA 0.539 63.647 63.100 0.012 0.000 0.780 436 P CB 0.606 32.321 31.700 0.026 0.000 0.808 437 T N 0.164 114.762 114.554 0.074 0.000 2.778 437 T HA 0.482 4.832 4.350 -0.000 0.000 0.293 437 T C -0.015 174.819 174.700 0.223 0.000 1.144 437 T CA -0.601 61.570 62.100 0.119 0.000 1.010 437 T CB 1.922 70.851 68.868 0.103 0.000 1.325 437 T HN 0.442 nan 8.240 nan 0.000 0.515 438 Q N -0.273 119.628 119.800 0.169 0.000 2.013 438 Q HA 0.356 4.696 4.340 -0.000 0.000 0.233 438 Q C -0.738 175.251 176.000 -0.019 0.000 0.834 438 Q CA -0.752 55.143 55.803 0.152 0.000 1.040 438 Q CB 0.612 29.463 28.738 0.188 0.000 1.248 438 Q HN 0.363 nan 8.270 nan 0.000 0.425 439 Q N 0.684 120.490 119.800 0.009 0.000 2.377 439 Q HA 0.515 4.855 4.340 -0.000 0.000 0.271 439 Q C -0.576 175.355 176.000 -0.115 0.000 1.077 439 Q CA -0.734 55.031 55.803 -0.064 0.000 0.820 439 Q CB 2.392 31.111 28.738 -0.032 0.000 1.347 439 Q HN 0.271 nan 8.270 nan 0.000 0.444 440 V N 2.498 122.187 119.914 -0.376 0.000 3.765 440 V HA -0.147 3.973 4.120 -0.000 0.000 0.447 440 V C -2.247 173.630 176.094 -0.361 0.000 0.680 440 V CA 0.008 61.940 62.300 -0.613 0.000 1.894 440 V CB -0.893 30.584 31.823 -0.577 0.000 2.321 440 V HN 0.671 nan 8.190 nan 0.000 0.492 441 P HA 0.615 nan 4.420 nan 0.000 0.281 441 P C -0.932 176.350 177.300 -0.030 0.000 1.281 441 P CA -0.488 62.493 63.100 -0.198 0.000 0.811 441 P CB 1.547 33.145 31.700 -0.170 0.000 1.154 442 R N 0.386 120.860 120.500 -0.045 0.000 2.795 442 R HA 0.505 4.845 4.340 -0.000 0.000 0.275 442 R C -3.019 173.288 176.300 0.012 0.000 0.981 442 R CA -2.550 53.570 56.100 0.032 0.000 0.917 442 R CB 0.818 31.129 30.300 0.019 0.000 1.202 442 R HN 0.258 nan 8.270 nan 0.000 0.469 443 P HA 0.214 nan 4.420 nan 0.000 0.268 443 P C -0.397 176.913 177.300 0.016 0.000 1.204 443 P CA 0.188 63.303 63.100 0.025 0.000 0.768 443 P CB 0.984 32.708 31.700 0.040 0.000 0.842 444 G N 0.844 109.645 108.800 0.001 0.000 2.733 444 G HA2 0.513 4.473 3.960 -0.000 0.000 0.288 444 G HA3 0.513 4.473 3.960 -0.000 0.000 0.288 444 G C -1.354 173.542 174.900 -0.007 0.000 1.373 444 G CA -0.448 44.647 45.100 -0.007 0.000 0.895 444 G HN 0.478 nan 8.290 nan 0.000 0.479 445 T N -0.956 113.588 114.554 -0.016 0.000 2.902 445 T HA 0.570 4.920 4.350 -0.000 0.000 0.283 445 T C 1.293 175.980 174.700 -0.022 0.000 1.009 445 T CA 1.611 63.699 62.100 -0.019 0.000 1.051 445 T CB 0.528 69.377 68.868 -0.032 0.000 0.999 445 T HN 2.184 nan 8.240 nan 0.000 0.474 446 G N 4.056 112.847 108.800 -0.016 0.000 2.629 446 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.313 446 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.313 446 G C 0.363 175.263 174.900 -0.001 0.000 1.217 446 G CA 0.587 45.680 45.100 -0.011 0.000 0.994 446 G HN 0.758 nan 8.290 nan 0.000 0.549 447 D N 0.675 121.079 120.400 0.005 0.000 2.325 447 D HA 0.236 4.876 4.640 -0.000 0.000 0.234 447 D C 0.848 177.165 176.300 0.029 0.000 1.122 447 D CA 0.790 54.801 54.000 0.018 0.000 0.850 447 D CB -0.302 40.513 40.800 0.024 0.000 0.921 447 D HN 0.406 nan 8.370 nan 0.000 0.513 448 c N 1.234 119.842 118.600 0.013 0.000 2.778 448 c HA 0.226 4.796 4.570 -0.000 0.000 0.252 448 c C 1.274 175.360 174.090 -0.007 0.000 1.693 448 c CA -0.950 55.387 56.329 0.014 0.000 1.724 448 c CB -1.313 41.189 42.510 -0.013 0.000 3.153 448 c HN 0.179 nan 8.230 nan 0.000 0.493 449 S N 1.099 116.797 115.700 -0.004 0.000 2.661 449 S HA 0.593 5.063 4.470 -0.000 0.000 0.265 449 S C 1.372 175.953 174.600 -0.031 0.000 1.225 449 S CA 0.332 58.524 58.200 -0.014 0.000 0.986 449 S CB 0.795 63.990 63.200 -0.007 0.000 1.008 449 S HN 0.552 nan 8.310 nan 0.000 0.565 450 A N 0.494 123.292 122.820 -0.037 0.000 2.131 450 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 450 A C 2.166 179.705 177.584 -0.075 0.000 1.158 450 A CA 1.890 53.888 52.037 -0.065 0.000 0.665 450 A CB -1.691 17.290 19.000 -0.032 0.000 0.795 450 A HN 1.131 nan 8.150 nan 0.000 0.460 451 T N -2.778 111.753 114.554 -0.038 0.000 3.100 451 T HA 0.073 4.423 4.350 -0.000 0.000 0.253 451 T C 0.694 175.395 174.700 0.002 0.000 1.118 451 T CA 0.233 62.319 62.100 -0.023 0.000 1.058 451 T CB -0.542 68.322 68.868 -0.007 0.000 0.953 451 T HN 0.368 nan 8.240 nan 0.000 0.515 452 N N 1.289 119.997 118.700 0.013 0.000 2.479 452 N HA 0.178 4.918 4.740 -0.000 0.000 0.257 452 N C 0.792 176.393 175.510 0.152 0.000 1.232 452 N CA -0.246 52.852 53.050 0.079 0.000 0.920 452 N CB 0.487 39.034 38.487 0.100 0.000 1.105 452 N HN 0.034 nan 8.380 nan 0.000 0.444 453 R N 1.322 121.971 120.500 0.250 0.000 2.526 453 R HA 0.228 4.568 4.340 -0.000 0.000 0.346 453 R C -0.786 175.769 176.300 0.425 0.000 0.926 453 R CA -0.185 56.179 56.100 0.440 0.000 1.147 453 R CB -0.683 29.812 30.300 0.325 0.000 1.629 453 R HN 0.432 nan 8.270 nan 0.000 0.516 454 C N 2.665 122.119 119.300 0.257 0.000 2.355 454 C HA 0.514 4.974 4.460 -0.000 0.000 0.332 454 C C -2.218 172.648 174.990 -0.206 0.000 1.255 454 C CA -1.723 57.303 59.018 0.014 0.000 1.792 454 C CB 2.052 29.772 27.740 -0.033 0.000 2.300 454 C HN 0.057 nan 8.230 nan 0.000 0.515 455 P HA 0.433 nan 4.420 nan 0.000 0.267 455 P C 0.208 177.096 177.300 -0.687 0.000 1.200 455 P CA 1.132 63.264 63.100 -1.614 0.000 0.772 455 P CB 0.473 31.283 31.700 -1.484 0.000 0.855 456 G N 0.893 109.365 108.800 -0.547 0.000 2.320 456 G HA2 0.265 4.225 3.960 -0.000 0.000 0.297 456 G HA3 0.265 4.225 3.960 -0.000 0.000 0.297 456 G C -2.043 172.903 174.900 0.076 0.000 1.344 456 G CA -0.785 44.242 45.100 -0.121 0.000 0.851 456 G HN 0.358 nan 8.290 nan 0.000 0.567 457 F N 0.716 120.689 119.950 0.039 0.000 2.420 457 F HA 0.676 5.203 4.527 -0.000 0.000 0.352 457 F C 0.282 176.126 175.800 0.074 0.000 1.108 457 F CA -0.386 57.662 58.000 0.079 0.000 1.162 457 F CB 0.636 39.678 39.000 0.070 0.000 1.118 457 F HN 0.535 nan 8.300 nan 0.000 0.510 458 c N 5.804 123.905 118.600 -0.831 0.000 2.994 458 c HA 0.658 5.228 4.570 -0.000 0.000 0.304 458 c C -0.655 172.948 174.090 -0.811 0.000 1.273 458 c CA -0.977 55.013 56.329 -0.565 0.000 1.537 458 c CB 1.613 44.003 42.510 -0.201 0.000 2.001 458 c HN 0.812 nan 8.230 nan 0.000 0.471 459 L N 2.474 123.437 121.223 -0.435 0.000 2.481 459 L HA 0.536 4.876 4.340 -0.000 0.000 0.263 459 L C -0.272 176.503 176.870 -0.158 0.000 1.537 459 L CA 0.707 55.368 54.840 -0.297 0.000 0.741 459 L CB 0.482 42.390 42.059 -0.251 0.000 0.974 459 L HN 0.874 nan 8.230 nan 0.000 0.519 460 T N -0.629 113.853 114.554 -0.120 0.000 2.889 460 T HA 0.881 5.231 4.350 -0.000 0.000 0.315 460 T C -0.470 174.210 174.700 -0.034 0.000 1.291 460 T CA 0.188 62.256 62.100 -0.054 0.000 1.028 460 T CB 1.649 70.483 68.868 -0.057 0.000 1.235 460 T HN 0.859 nan 8.240 nan 0.000 0.491 461 G N 0.930 109.739 108.800 0.014 0.000 2.350 461 G HA2 0.472 4.432 3.960 -0.000 0.000 0.276 461 G HA3 0.472 4.432 3.960 -0.000 0.000 0.276 461 G C -1.737 173.215 174.900 0.086 0.000 1.313 461 G CA 0.132 45.244 45.100 0.020 0.000 0.903 461 G HN 1.627 nan 8.290 nan 0.000 0.490 462 V N -1.931 118.031 119.914 0.079 0.000 3.178 462 V HA 0.678 4.798 4.120 -0.000 0.000 0.302 462 V C -0.940 175.169 176.094 0.024 0.000 1.262 462 V CA -1.151 61.236 62.300 0.146 0.000 1.030 462 V CB 1.597 33.551 31.823 0.219 0.000 1.074 462 V HN 1.420 nan 8.190 nan 0.000 0.438 463 Y N 1.910 121.999 120.300 -0.352 0.000 2.335 463 Y HA 0.666 5.216 4.550 -0.000 0.000 0.331 463 Y C 0.315 176.123 175.900 -0.153 0.000 1.094 463 Y CA 0.110 57.955 58.100 -0.425 0.000 1.253 463 Y CB 1.009 38.779 38.460 -1.149 0.000 1.203 463 Y HN 1.109 nan 8.280 nan 0.000 0.508 464 A N 5.801 128.404 122.820 -0.361 0.000 2.893 464 A HA 0.277 4.597 4.320 -0.000 0.000 0.298 464 A C -1.050 176.136 177.584 -0.663 0.000 1.227 464 A CA -0.693 51.222 52.037 -0.202 0.000 0.845 464 A CB -0.524 18.520 19.000 0.073 0.000 1.430 464 A HN 0.831 nan 8.150 nan 0.000 0.493 465 D N 1.478 121.162 120.400 -1.193 0.000 2.393 465 D HA 0.650 5.290 4.640 -0.000 0.000 0.246 465 D C 0.309 176.333 176.300 -0.460 0.000 1.275 465 D CA 0.365 53.398 54.000 -1.613 0.000 0.979 465 D CB 0.882 41.087 40.800 -0.992 0.000 1.101 465 D HN 0.939 nan 8.370 nan 0.000 0.505 466 A N -0.872 121.813 122.820 -0.225 0.000 2.549 466 A HA 0.477 4.797 4.320 -0.000 0.000 0.297 466 A C -1.785 175.885 177.584 0.144 0.000 1.061 466 A CA -0.987 51.106 52.037 0.093 0.000 0.690 466 A CB 1.355 20.441 19.000 0.143 0.000 1.287 466 A HN 0.596 nan 8.150 nan 0.000 0.402 467 W N 3.759 125.115 121.300 0.094 0.000 2.478 467 W HA 0.583 5.243 4.660 0.000 0.000 0.318 467 W C -1.852 174.759 176.519 0.154 0.000 1.062 467 W CA -0.833 56.583 57.345 0.117 0.000 1.210 467 W CB 1.279 30.855 29.460 0.195 0.000 1.325 467 W HN 0.590 nan 8.180 nan 0.000 0.496 468 L N 7.263 128.333 121.223 -0.255 0.000 2.283 468 L HA 0.103 4.443 4.340 -0.000 0.000 0.287 468 L C 1.239 178.162 176.870 0.087 0.000 1.073 468 L CA -0.184 54.559 54.840 -0.162 0.000 0.822 468 L CB 0.874 42.596 42.059 -0.562 0.000 1.186 468 L HN 0.458 nan 8.230 nan 0.000 0.436 469 L N 1.997 123.432 121.223 0.354 0.000 2.492 469 L HA 0.095 4.435 4.340 -0.000 0.000 0.223 469 L C 0.649 177.742 176.870 0.371 0.000 1.132 469 L CA 0.661 55.805 54.840 0.508 0.000 0.850 469 L CB -0.049 42.329 42.059 0.531 0.000 0.966 469 L HN 0.580 nan 8.230 nan 0.000 0.454 470 T N -0.835 113.814 114.554 0.158 0.000 2.900 470 T HA 0.219 4.569 4.350 -0.000 0.000 0.295 470 T C -0.584 173.798 174.700 -0.529 0.000 1.044 470 T CA -0.607 61.466 62.100 -0.045 0.000 0.995 470 T CB 1.983 70.834 68.868 -0.028 0.000 1.072 470 T HN -0.137 nan 8.240 nan 0.000 0.473 471 N N 2.904 121.055 118.700 -0.916 0.000 2.420 471 N HA 0.221 4.961 4.740 -0.000 0.000 0.262 471 N C -1.908 173.129 175.510 -0.789 0.000 1.144 471 N CA -1.819 50.251 53.050 -1.634 0.000 0.952 471 N CB 1.527 39.295 38.487 -1.199 0.000 1.081 471 N HN 0.212 nan 8.380 nan 0.000 0.480 472 P HA 0.036 nan 4.420 nan 0.000 0.226 472 P C 0.487 177.567 177.300 -0.367 0.000 1.153 472 P CA 0.851 63.614 63.100 -0.562 0.000 0.777 472 P CB 0.431 31.681 31.700 -0.750 0.000 0.794 473 S N -1.589 114.043 115.700 -0.114 0.000 2.558 473 S HA 0.041 4.511 4.470 -0.000 0.000 0.217 473 S C 1.654 176.251 174.600 -0.005 0.000 0.975 473 S CA 0.375 58.642 58.200 0.112 0.000 0.912 473 S CB -0.491 62.829 63.200 0.200 0.000 0.776 473 S HN 0.103 nan 8.310 nan 0.000 0.526 474 S N 1.961 117.591 115.700 -0.118 0.000 2.607 474 S HA 0.019 4.489 4.470 -0.000 0.000 0.224 474 S C 0.961 175.526 174.600 -0.058 0.000 0.969 474 S CA 0.297 58.445 58.200 -0.087 0.000 0.927 474 S CB -0.079 63.043 63.200 -0.129 0.000 0.772 474 S HN 0.750 nan 8.310 nan 0.000 0.533 475 T N -0.562 113.957 114.554 -0.060 0.000 2.859 475 T HA 0.393 4.743 4.350 -0.000 0.000 0.281 475 T C 1.260 175.961 174.700 0.001 0.000 1.005 475 T CA -0.278 61.798 62.100 -0.040 0.000 1.025 475 T CB 1.733 70.559 68.868 -0.069 0.000 0.977 475 T HN 0.053 nan 8.240 nan 0.000 0.458 476 S N 2.201 117.905 115.700 0.007 0.000 2.407 476 S HA -0.105 4.365 4.470 -0.000 0.000 0.235 476 S C 0.884 175.509 174.600 0.042 0.000 1.036 476 S CA 0.904 59.118 58.200 0.023 0.000 1.013 476 S CB -0.839 62.370 63.200 0.015 0.000 0.820 476 S HN 0.833 nan 8.310 nan 0.000 0.476 477 T N 2.758 117.335 114.554 0.037 0.000 2.791 477 T HA 0.449 4.799 4.350 -0.000 0.000 0.288 477 T C -0.611 174.139 174.700 0.083 0.000 0.999 477 T CA -0.706 61.433 62.100 0.065 0.000 0.952 477 T CB 0.554 69.447 68.868 0.041 0.000 0.938 477 T HN 0.288 nan 8.240 nan 0.000 0.444 478 F N 3.344 123.289 119.950 -0.010 0.000 2.537 478 F HA 0.234 4.761 4.527 -0.000 0.000 0.402 478 F C 1.472 177.264 175.800 -0.013 0.000 1.005 478 F CA 1.408 59.401 58.000 -0.012 0.000 1.203 478 F CB -0.129 38.869 39.000 -0.003 0.000 0.955 478 F HN 0.915 nan 8.300 nan 0.000 0.547 479 G N 3.592 111.937 108.800 -0.758 0.000 2.212 479 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.267 479 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.267 479 G C 1.199 175.955 174.900 -0.241 0.000 1.002 479 G CA 1.047 45.799 45.100 -0.580 0.000 0.729 479 G HN 1.346 nan 8.290 nan 0.000 0.517 480 S N -1.190 114.421 115.700 -0.149 0.000 2.400 480 S HA 0.014 4.484 4.470 -0.000 0.000 0.232 480 S C 0.848 175.407 174.600 -0.068 0.000 1.025 480 S CA 1.668 59.824 58.200 -0.072 0.000 0.993 480 S CB 0.275 63.450 63.200 -0.041 0.000 0.808 480 S HN 0.718 nan 8.310 nan 0.000 0.478 481 E N 0.429 120.573 120.200 -0.093 0.000 2.621 481 E HA 0.603 4.953 4.350 -0.000 0.000 0.263 481 E C -1.360 175.186 176.600 -0.090 0.000 1.033 481 E CA -0.346 56.012 56.400 -0.070 0.000 0.778 481 E CB 1.349 31.015 29.700 -0.057 0.000 1.426 481 E HN 0.491 nan 8.360 nan 0.000 0.394 482 A N 2.512 125.297 122.820 -0.058 0.000 2.350 482 A HA 0.752 5.072 4.320 -0.000 0.000 0.324 482 A C -0.393 177.241 177.584 0.083 0.000 1.118 482 A CA -0.491 51.524 52.037 -0.036 0.000 0.783 482 A CB 1.739 20.697 19.000 -0.070 0.000 1.236 482 A HN 0.366 nan 8.150 nan 0.000 0.457 483 T N 2.224 116.830 114.554 0.087 0.000 2.841 483 T HA 0.704 5.054 4.350 -0.000 0.000 0.283 483 T C -0.833 174.003 174.700 0.226 0.000 1.000 483 T CA -0.078 62.065 62.100 0.073 0.000 0.977 483 T CB 0.550 69.431 68.868 0.021 0.000 0.979 483 T HN 0.722 nan 8.240 nan 0.000 0.446 484 F N -0.798 119.199 119.950 0.079 0.000 2.626 484 F HA 0.876 5.403 4.527 -0.000 0.000 0.311 484 F C -0.430 175.447 175.800 0.127 0.000 1.088 484 F CA -1.108 56.961 58.000 0.116 0.000 0.949 484 F CB 1.501 40.548 39.000 0.079 0.000 1.322 484 F HN 0.485 nan 8.300 nan 0.000 0.461 485 T N -0.145 114.559 114.554 0.251 0.000 2.916 485 T HA 0.875 5.225 4.350 -0.000 0.000 0.292 485 T C -0.459 174.189 174.700 -0.087 0.000 1.055 485 T CA 0.092 62.152 62.100 -0.067 0.000 1.009 485 T CB 1.454 70.366 68.868 0.073 0.000 1.118 485 T HN 1.687 nan 8.240 nan 0.000 0.497 486 G N 1.405 109.924 108.800 -0.468 0.000 2.335 486 G HA2 0.508 4.468 3.960 -0.000 0.000 0.291 486 G HA3 0.508 4.468 3.960 -0.000 0.000 0.291 486 G C -1.124 173.759 174.900 -0.030 0.000 1.261 486 G CA -0.021 45.046 45.100 -0.055 0.000 0.871 486 G HN 1.288 nan 8.290 nan 0.000 0.491 487 S N -1.196 114.721 115.700 0.362 0.000 2.599 487 S HA 0.910 5.380 4.470 -0.000 0.000 0.294 487 S C -0.996 173.989 174.600 0.642 0.000 1.094 487 S CA -0.530 57.948 58.200 0.463 0.000 0.931 487 S CB 2.149 65.540 63.200 0.318 0.000 1.093 487 S HN 2.182 nan 8.310 nan 0.000 0.488 488 Y N -1.024 119.459 120.300 0.306 0.000 2.592 488 Y HA 0.608 5.158 4.550 -0.000 0.000 0.334 488 Y C -2.107 173.865 175.900 0.120 0.000 1.136 488 Y CA -1.686 56.526 58.100 0.186 0.000 1.042 488 Y CB 0.502 39.019 38.460 0.095 0.000 1.325 488 Y HN 0.683 nan 8.280 nan 0.000 0.457 489 L N 3.832 125.039 121.223 -0.027 0.000 2.342 489 L HA 0.264 4.604 4.340 -0.000 0.000 0.285 489 L C 0.165 176.865 176.870 -0.284 0.000 1.095 489 L CA -0.261 54.499 54.840 -0.133 0.000 0.843 489 L CB 0.203 42.278 42.059 0.027 0.000 1.201 489 L HN 0.629 nan 8.230 nan 0.000 0.445 490 N N 2.680 121.064 118.700 -0.526 0.000 2.819 490 N HA 0.136 4.876 4.740 -0.000 0.000 0.284 490 N C -0.632 174.791 175.510 -0.146 0.000 1.196 490 N CA 0.346 53.139 53.050 -0.427 0.000 1.114 490 N CB 0.215 38.393 38.487 -0.515 0.000 1.437 490 N HN 0.621 nan 8.380 nan 0.000 0.518 491 T N -0.453 114.063 114.554 -0.062 0.000 2.733 491 T HA 0.535 4.885 4.350 -0.000 0.000 0.312 491 T C 0.399 175.097 174.700 -0.004 0.000 1.590 491 T CA -0.030 62.053 62.100 -0.028 0.000 1.005 491 T CB 0.731 69.582 68.868 -0.027 0.000 1.528 491 T HN 0.193 nan 8.240 nan 0.000 0.496 492 A N 0.354 123.172 122.820 -0.004 0.000 1.935 492 A HA 0.194 4.514 4.320 -0.000 0.000 0.214 492 A C 1.850 179.434 177.584 -0.000 0.000 1.178 492 A CA 2.058 54.093 52.037 -0.003 0.000 0.640 492 A CB -0.474 18.523 19.000 -0.006 0.000 0.825 492 A HN 1.008 nan 8.150 nan 0.000 0.447 493 T N -4.276 110.279 114.554 0.003 0.000 3.009 493 T HA 0.279 4.629 4.350 -0.000 0.000 0.267 493 T C 0.479 175.190 174.700 0.018 0.000 0.942 493 T CA -0.240 61.865 62.100 0.008 0.000 0.883 493 T CB -0.004 68.866 68.868 0.004 0.000 1.192 493 T HN 0.350 nan 8.240 nan 0.000 0.524 494 Q N 1.072 120.883 119.800 0.018 0.000 2.222 494 Q HA 0.503 4.843 4.340 -0.000 0.000 0.252 494 Q C -0.478 175.547 176.000 0.041 0.000 0.926 494 Q CA -0.751 55.069 55.803 0.028 0.000 0.899 494 Q CB 1.764 30.512 28.738 0.016 0.000 1.250 494 Q HN 0.198 nan 8.270 nan 0.000 0.441 495 R N 1.959 122.499 120.500 0.066 0.000 3.268 495 R HA 0.267 4.607 4.340 -0.000 0.000 0.217 495 R C -0.797 175.548 176.300 0.076 0.000 1.568 495 R CA 0.053 56.209 56.100 0.095 0.000 1.322 495 R CB -0.347 30.040 30.300 0.145 0.000 1.280 495 R HN 0.378 nan 8.270 nan 0.000 0.667 496 I N 0.523 121.116 120.570 0.039 0.000 3.095 496 I HA 0.199 4.369 4.170 -0.000 0.000 0.310 496 I C -0.691 175.413 176.117 -0.021 0.000 1.196 496 I CA -0.691 60.618 61.300 0.016 0.000 0.985 496 I CB 1.895 39.895 38.000 0.000 0.000 1.250 496 I HN 0.414 nan 8.210 nan 0.000 0.446 497 N N 1.978 120.662 118.700 -0.027 0.000 2.699 497 N HA -0.105 4.635 4.740 -0.000 0.000 0.257 497 N C -2.498 172.957 175.510 -0.092 0.000 1.077 497 N CA 0.157 53.167 53.050 -0.067 0.000 0.702 497 N CB -1.459 36.964 38.487 -0.106 0.000 0.886 497 N HN 0.309 nan 8.380 nan 0.000 0.549 498 P HA 0.042 nan 4.420 nan 0.000 0.264 498 P C -0.423 176.843 177.300 -0.058 0.000 1.193 498 P CA 0.673 63.776 63.100 0.005 0.000 0.763 498 P CB 0.704 32.474 31.700 0.117 0.000 0.810 499 T N 4.255 118.747 114.554 -0.104 0.000 3.031 499 T HA 0.367 4.717 4.350 -0.000 0.000 0.305 499 T C 0.176 174.948 174.700 0.121 0.000 0.985 499 T CA -0.448 61.609 62.100 -0.070 0.000 1.008 499 T CB 0.664 69.404 68.868 -0.214 0.000 1.005 499 T HN 0.289 nan 8.240 nan 0.000 0.444 500 M N 3.793 123.373 119.600 -0.033 0.000 2.235 500 M HA 0.566 5.046 4.480 -0.000 0.000 0.351 500 M C -0.522 175.794 176.300 0.027 0.000 1.178 500 M CA -0.267 54.936 55.300 -0.162 0.000 1.143 500 M CB 0.516 32.716 32.600 -0.666 0.000 1.530 500 M HN 0.804 nan 8.290 nan 0.000 0.461 501 Y N 0.403 120.710 120.300 0.012 0.000 2.705 501 Y HA 0.841 5.391 4.550 -0.000 0.000 0.332 501 Y C -1.822 174.085 175.900 0.012 0.000 1.221 501 Y CA -1.614 56.493 58.100 0.012 0.000 1.059 501 Y CB 1.212 39.691 38.460 0.032 0.000 1.298 501 Y HN 0.549 nan 8.280 nan 0.000 0.459 502 I N 1.918 122.548 120.570 0.101 0.000 2.533 502 I HA 0.836 5.006 4.170 -0.000 0.000 0.290 502 I C -0.695 175.437 176.117 0.024 0.000 1.056 502 I CA -1.023 60.269 61.300 -0.012 0.000 1.057 502 I CB 1.953 39.927 38.000 -0.043 0.000 1.240 502 I HN 0.964 nan 8.210 nan 0.000 0.423 503 A N 4.627 127.311 122.820 -0.227 0.000 2.569 503 A HA 0.852 5.172 4.320 -0.000 0.000 0.290 503 A C -1.330 175.884 177.584 -0.616 0.000 1.136 503 A CA -0.645 51.124 52.037 -0.445 0.000 0.710 503 A CB 1.982 20.618 19.000 -0.607 0.000 1.303 503 A HN 0.764 nan 8.150 nan 0.000 0.413 504 N N -0.708 117.778 118.700 -0.356 0.000 3.002 504 N HA 0.275 5.015 4.740 -0.000 0.000 0.331 504 N C 0.028 175.532 175.510 -0.009 0.000 1.384 504 N CA -0.475 52.483 53.050 -0.154 0.000 0.780 504 N CB -0.213 38.224 38.487 -0.083 0.000 1.492 504 N HN 0.424 nan 8.380 nan 0.000 0.608 505 N N -1.593 117.157 118.700 0.084 0.000 2.258 505 N HA -0.162 4.578 4.740 -0.000 0.000 0.187 505 N C 0.826 176.379 175.510 0.071 0.000 1.012 505 N CA 2.339 55.460 53.050 0.118 0.000 0.870 505 N CB -0.302 38.221 38.487 0.060 0.000 0.977 505 N HN 0.862 nan 8.380 nan 0.000 0.434 506 T N -5.096 109.466 114.554 0.013 0.000 2.958 506 T HA 0.252 4.602 4.350 -0.000 0.000 0.256 506 T C 0.325 174.997 174.700 -0.046 0.000 0.983 506 T CA -0.317 61.780 62.100 -0.004 0.000 0.924 506 T CB 0.561 69.427 68.868 -0.002 0.000 1.136 506 T HN -0.030 nan 8.240 nan 0.000 0.506 507 Q N 0.015 119.769 119.800 -0.077 0.000 2.456 507 Q HA 0.606 4.946 4.340 -0.000 0.000 0.284 507 Q C -1.473 174.432 176.000 -0.158 0.000 1.061 507 Q CA -0.921 54.819 55.803 -0.105 0.000 0.799 507 Q CB 2.822 31.515 28.738 -0.076 0.000 1.445 507 Q HN 0.292 nan 8.270 nan 0.000 0.411 508 I N 2.973 123.447 120.570 -0.160 0.000 2.325 508 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 508 I C 0.956 177.018 176.117 -0.092 0.000 1.019 508 I CA -0.006 61.197 61.300 -0.162 0.000 1.302 508 I CB 0.732 38.629 38.000 -0.172 0.000 1.401 508 I HN 0.660 nan 8.210 nan 0.000 0.485 509 I N 1.915 122.438 120.570 -0.079 0.000 4.018 509 I HA 0.359 4.529 4.170 -0.000 0.000 0.337 509 I C 0.331 176.421 176.117 -0.044 0.000 1.327 509 I CA 0.137 61.399 61.300 -0.063 0.000 1.100 509 I CB 0.589 38.542 38.000 -0.078 0.000 1.025 509 I HN 0.456 nan 8.210 nan 0.000 0.396 510 S N 0.745 116.434 115.700 -0.018 0.000 2.583 510 S HA 0.589 5.059 4.470 -0.000 0.000 0.294 510 S C -0.852 173.770 174.600 0.036 0.000 1.121 510 S CA 0.060 58.255 58.200 -0.010 0.000 0.910 510 S CB 1.321 64.502 63.200 -0.032 0.000 1.102 510 S HN 0.620 nan 8.310 nan 0.000 0.451 511 S N 3.437 119.153 115.700 0.027 0.000 2.565 511 S HA 0.695 5.165 4.470 -0.000 0.000 0.274 511 S C -1.708 172.895 174.600 0.004 0.000 1.144 511 S CA -0.715 57.522 58.200 0.062 0.000 0.849 511 S CB 1.826 65.108 63.200 0.137 0.000 1.103 511 S HN 0.862 nan 8.310 nan 0.000 0.455 512 Q N 1.252 121.038 119.800 -0.022 0.000 2.275 512 Q HA 0.337 4.677 4.340 -0.000 0.000 0.258 512 Q C -1.340 174.618 176.000 -0.069 0.000 0.960 512 Q CA -0.286 55.482 55.803 -0.058 0.000 0.801 512 Q CB 2.006 30.691 28.738 -0.089 0.000 1.302 512 Q HN 0.844 nan 8.270 nan 0.000 0.433 513 Q N 2.927 122.689 119.800 -0.064 0.000 2.354 513 Q HA 0.291 4.631 4.340 -0.000 0.000 0.244 513 Q C -1.405 174.556 176.000 -0.065 0.000 0.969 513 Q CA -0.229 55.531 55.803 -0.072 0.000 0.885 513 Q CB 0.743 29.429 28.738 -0.086 0.000 1.241 513 Q HN 0.577 nan 8.270 nan 0.000 0.461 514 F N 2.620 122.455 119.950 -0.192 0.000 2.443 514 F HA 0.583 5.110 4.527 -0.000 0.000 0.335 514 F C 0.341 176.072 175.800 -0.115 0.000 1.104 514 F CA 0.875 58.751 58.000 -0.207 0.000 1.013 514 F CB 1.043 39.839 39.000 -0.340 0.000 1.136 514 F HN 0.805 nan 8.300 nan 0.000 0.470 515 G N 3.204 111.285 108.800 -1.198 0.000 2.796 515 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.226 515 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.226 515 G C -0.697 173.986 174.900 -0.361 0.000 1.381 515 G CA -0.494 44.129 45.100 -0.795 0.000 0.867 515 G HN 1.388 nan 8.290 nan 0.000 0.552 516 S N -0.710 114.844 115.700 -0.243 0.000 2.652 516 S HA 0.703 5.173 4.470 -0.000 0.000 0.270 516 S C 0.671 175.204 174.600 -0.113 0.000 1.243 516 S CA 0.280 58.388 58.200 -0.154 0.000 0.999 516 S CB 1.629 64.757 63.200 -0.120 0.000 0.973 516 S HN 1.587 nan 8.310 nan 0.000 0.544 517 S N 0.805 116.452 115.700 -0.089 0.000 2.552 517 S HA 0.454 4.924 4.470 -0.000 0.000 0.289 517 S C 1.462 176.028 174.600 -0.055 0.000 1.304 517 S CA 0.629 58.788 58.200 -0.068 0.000 1.063 517 S CB 0.016 63.181 63.200 -0.059 0.000 0.848 517 S HN 1.680 nan 8.310 nan 0.000 0.499 518 G N 1.886 110.659 108.800 -0.044 0.000 2.232 518 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.226 518 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.226 518 G C 0.068 174.953 174.900 -0.026 0.000 0.996 518 G CA 0.112 45.193 45.100 -0.033 0.000 0.626 518 G HN 0.717 nan 8.290 nan 0.000 0.509 519 Q N 2.249 122.032 119.800 -0.029 0.000 2.239 519 Q HA 0.381 4.721 4.340 -0.000 0.000 0.286 519 Q C 0.447 176.460 176.000 0.022 0.000 1.102 519 Q CA 0.590 56.390 55.803 -0.006 0.000 0.936 519 Q CB -0.025 28.713 28.738 -0.001 0.000 1.127 519 Q HN 0.588 nan 8.270 nan 0.000 0.380 520 E N 1.842 122.050 120.200 0.014 0.000 2.366 520 E HA 0.538 4.888 4.350 -0.000 0.000 0.266 520 E C -0.921 175.733 176.600 0.089 0.000 1.051 520 E CA 0.165 56.583 56.400 0.031 0.000 0.884 520 E CB 0.941 30.626 29.700 -0.025 0.000 1.006 520 E HN 0.759 nan 8.360 nan 0.000 0.417 521 A N 0.967 123.882 122.820 0.159 0.000 2.536 521 A HA 0.781 5.101 4.320 -0.000 0.000 0.293 521 A C -1.159 176.613 177.584 0.314 0.000 1.119 521 A CA 0.120 52.310 52.037 0.255 0.000 0.654 521 A CB 1.162 20.288 19.000 0.211 0.000 1.291 521 A HN 0.634 nan 8.150 nan 0.000 0.439 522 A N -1.021 121.995 122.820 0.326 0.000 2.597 522 A HA 0.731 5.051 4.320 -0.000 0.000 0.191 522 A C -0.770 177.066 177.584 0.421 0.000 1.336 522 A CA -0.153 52.065 52.037 0.301 0.000 1.516 522 A CB -0.396 18.654 19.000 0.083 0.000 1.849 522 A HN 0.974 nan 8.150 nan 0.000 0.640 523 Y N 0.422 120.826 120.300 0.172 0.000 2.426 523 Y HA 0.465 5.015 4.550 -0.000 0.000 0.344 523 Y C 0.998 177.087 175.900 0.316 0.000 1.256 523 Y CA -0.373 57.892 58.100 0.274 0.000 1.451 523 Y CB 0.026 38.627 38.460 0.236 0.000 1.342 523 Y HN 0.661 nan 8.280 nan 0.000 0.600 524 G N 1.434 110.575 108.800 0.568 0.000 2.739 524 G HA2 0.373 4.333 3.960 -0.000 0.000 0.291 524 G HA3 0.373 4.333 3.960 -0.000 0.000 0.291 524 G C -1.757 173.432 174.900 0.481 0.000 1.478 524 G CA -0.631 44.748 45.100 0.464 0.000 1.062 524 G HN 0.706 nan 8.290 nan 0.000 0.532 525 H N 1.676 120.930 119.070 0.306 0.000 2.587 525 H HA 0.436 4.992 4.556 0.000 0.000 0.325 525 H C -0.521 174.923 175.328 0.192 0.000 1.012 525 H CA -0.362 55.870 56.048 0.306 0.000 1.213 525 H CB 2.167 32.095 29.762 0.278 0.000 1.431 525 H HN 0.375 nan 8.280 nan 0.000 0.492 526 T N 2.967 117.677 114.554 0.260 0.000 2.823 526 T HA 0.366 4.716 4.350 -0.000 0.000 0.279 526 T C 0.041 174.844 174.700 0.172 0.000 0.998 526 T CA -0.489 61.645 62.100 0.057 0.000 0.994 526 T CB 1.596 70.445 68.868 -0.031 0.000 0.960 526 T HN 0.505 nan 8.240 nan 0.000 0.448 527 T N 1.889 116.394 114.554 -0.081 0.000 3.032 527 T HA 0.492 4.842 4.350 -0.000 0.000 0.312 527 T C -0.736 173.639 174.700 -0.541 0.000 1.078 527 T CA -0.520 61.470 62.100 -0.183 0.000 1.028 527 T CB 0.705 69.698 68.868 0.209 0.000 1.091 527 T HN 0.730 nan 8.240 nan 0.000 0.457 528 c N 3.324 121.136 118.600 -1.314 0.000 2.614 528 c HA 0.998 5.568 4.570 -0.000 0.000 0.320 528 c C -0.757 173.135 174.090 -0.330 0.000 1.200 528 c CA -1.010 54.827 56.329 -0.819 0.000 1.700 528 c CB 0.127 42.138 42.510 -0.832 0.000 2.275 528 c HN 0.949 nan 8.230 nan 0.000 0.492 529 F N -0.631 119.128 119.950 -0.318 0.000 2.711 529 F HA 0.784 5.311 4.527 -0.000 0.000 0.313 529 F C -0.861 174.703 175.800 -0.394 0.000 1.141 529 F CA -1.236 56.612 58.000 -0.253 0.000 0.941 529 F CB 1.161 40.136 39.000 -0.042 0.000 1.349 529 F HN 0.607 nan 8.300 nan 0.000 0.464 530 R N 1.056 121.435 120.500 -0.202 0.000 2.637 530 R HA 0.299 4.639 4.340 -0.000 0.000 0.291 530 R C -1.564 174.884 176.300 0.246 0.000 0.963 530 R CA -0.590 55.418 56.100 -0.154 0.000 0.901 530 R CB 1.675 31.767 30.300 -0.347 0.000 1.160 530 R HN 0.898 nan 8.270 nan 0.000 0.457 531 D N 3.207 123.769 120.400 0.270 0.000 2.422 531 D HA 0.004 4.644 4.640 -0.000 0.000 0.227 531 D C 0.667 177.023 176.300 0.093 0.000 1.190 531 D CA 0.016 54.169 54.000 0.256 0.000 0.905 531 D CB 1.330 42.345 40.800 0.359 0.000 1.034 531 D HN 0.712 nan 8.370 nan 0.000 0.507 532 T N 0.260 114.842 114.554 0.048 0.000 3.155 532 T HA 0.015 4.365 4.350 -0.000 0.000 0.264 532 T C 1.552 176.257 174.700 0.009 0.000 1.160 532 T CA 0.544 62.664 62.100 0.033 0.000 1.075 532 T CB 0.252 69.144 68.868 0.039 0.000 0.921 532 T HN 0.322 nan 8.240 nan 0.000 0.533 533 G N 1.832 110.623 108.800 -0.015 0.000 2.524 533 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.210 533 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.210 533 G C 1.798 176.711 174.900 0.022 0.000 1.187 533 G CA 0.527 45.619 45.100 -0.013 0.000 0.825 533 G HN 0.641 nan 8.290 nan 0.000 0.558 534 S N -0.397 115.333 115.700 0.050 0.000 2.496 534 S HA 0.172 4.642 4.470 -0.000 0.000 0.224 534 S C 1.063 175.702 174.600 0.065 0.000 0.996 534 S CA 0.675 58.919 58.200 0.073 0.000 0.927 534 S CB 0.293 63.569 63.200 0.127 0.000 0.774 534 S HN 0.832 nan 8.310 nan 0.000 0.524 535 V N 1.669 121.618 119.914 0.059 0.000 5.497 535 V HA -0.214 3.906 4.120 -0.000 0.000 0.307 535 V C -0.105 176.003 176.094 0.024 0.000 0.438 535 V CA 1.602 63.927 62.300 0.042 0.000 0.707 535 V CB -2.633 29.217 31.823 0.045 0.000 0.502 535 V HN 0.810 nan 8.190 nan 0.000 1.344 536 M N -1.688 117.916 119.600 0.007 0.000 2.598 536 M HA 0.854 5.334 4.480 -0.000 0.000 0.317 536 M C -0.537 175.624 176.300 -0.231 0.000 1.179 536 M CA -0.946 54.289 55.300 -0.108 0.000 0.936 536 M CB 2.223 34.698 32.600 -0.209 0.000 1.713 536 M HN -0.106 nan 8.290 nan 0.000 0.460 537 V N 1.935 121.668 119.914 -0.301 0.000 2.427 537 V HA 0.438 4.558 4.120 -0.000 0.000 0.286 537 V C -1.158 174.593 176.094 -0.571 0.000 1.034 537 V CA -0.331 61.728 62.300 -0.400 0.000 0.893 537 V CB 1.076 32.761 31.823 -0.228 0.000 0.982 537 V HN 0.656 nan 8.190 nan 0.000 0.452 538 Y N 2.184 122.151 120.300 -0.555 0.000 2.468 538 Y HA 0.667 5.217 4.550 -0.000 0.000 0.342 538 Y C 0.157 175.656 175.900 -0.669 0.000 1.021 538 Y CA -0.568 57.200 58.100 -0.554 0.000 1.079 538 Y CB 2.026 40.085 38.460 -0.670 0.000 1.226 538 Y HN 0.556 nan 8.280 nan 0.000 0.460 539 c N 3.454 121.932 118.600 -0.203 0.000 2.626 539 c HA 0.605 5.175 4.570 -0.000 0.000 0.310 539 c C -0.441 173.539 174.090 -0.184 0.000 1.191 539 c CA -1.157 54.989 56.329 -0.305 0.000 1.517 539 c CB 1.212 43.485 42.510 -0.395 0.000 2.102 539 c HN 0.810 nan 8.230 nan 0.000 0.479 540 I N 2.432 122.853 120.570 -0.250 0.000 2.378 540 I HA 0.504 4.674 4.170 -0.000 0.000 0.291 540 I C -1.540 174.395 176.117 -0.303 0.000 0.992 540 I CA -0.338 60.865 61.300 -0.162 0.000 1.154 540 I CB 0.753 38.624 38.000 -0.215 0.000 1.315 540 I HN 0.690 nan 8.210 nan 0.000 0.448 541 Y N 7.561 127.857 120.300 -0.008 0.000 2.478 541 Y HA 0.445 4.995 4.550 -0.000 0.000 0.329 541 Y C 0.005 175.933 175.900 0.046 0.000 0.967 541 Y CA -0.751 57.385 58.100 0.060 0.000 1.255 541 Y CB 0.826 39.338 38.460 0.087 0.000 1.103 541 Y HN 0.364 nan 8.280 nan 0.000 0.497 542 I N 5.681 126.312 120.570 0.101 0.000 2.308 542 I HA 0.245 4.415 4.170 -0.000 0.000 0.293 542 I C -0.278 175.932 176.117 0.155 0.000 1.078 542 I CA 0.134 61.434 61.300 -0.001 0.000 1.292 542 I CB 0.168 38.126 38.000 -0.070 0.000 1.423 542 I HN 0.470 nan 8.210 nan 0.000 0.493 543 I N 6.169 126.815 120.570 0.128 0.000 2.474 543 I HA 0.257 4.427 4.170 -0.000 0.000 0.294 543 I C 0.038 176.234 176.117 0.132 0.000 1.005 543 I CA -0.712 60.711 61.300 0.205 0.000 1.113 543 I CB 1.847 40.025 38.000 0.297 0.000 1.289 543 I HN 0.493 nan 8.210 nan 0.000 0.436 544 E N 6.646 126.951 120.200 0.175 0.000 2.070 544 E HA 0.352 4.702 4.350 -0.000 0.000 0.282 544 E C -1.016 175.776 176.600 0.319 0.000 1.104 544 E CA -0.212 56.288 56.400 0.167 0.000 0.876 544 E CB 0.892 30.597 29.700 0.009 0.000 1.055 544 E HN 0.363 nan 8.360 nan 0.000 0.401 545 L N 2.235 123.617 121.223 0.265 0.000 2.309 545 L HA 0.243 4.583 4.340 -0.000 0.000 0.282 545 L C 0.464 177.399 176.870 0.108 0.000 1.036 545 L CA -0.676 54.294 54.840 0.216 0.000 0.806 545 L CB 1.812 43.967 42.059 0.161 0.000 1.220 545 L HN 0.390 nan 8.230 nan 0.000 0.429 546 S N 1.927 117.596 115.700 -0.052 0.000 2.510 546 S HA 0.272 4.742 4.470 -0.000 0.000 0.279 546 S C 0.009 174.514 174.600 -0.158 0.000 1.284 546 S CA -0.686 57.311 58.200 -0.338 0.000 1.059 546 S CB 0.320 63.331 63.200 -0.315 0.000 0.901 546 S HN 0.645 nan 8.310 nan 0.000 0.491 547 S N 3.413 119.008 115.700 -0.175 0.000 2.537 547 S HA 0.509 4.979 4.470 -0.000 0.000 0.301 547 S C 0.812 175.357 174.600 -0.091 0.000 1.092 547 S CA -0.223 57.926 58.200 -0.085 0.000 1.048 547 S CB 1.670 64.837 63.200 -0.056 0.000 1.053 547 S HN 0.830 nan 8.310 nan 0.000 0.501 548 S N 1.642 117.308 115.700 -0.056 0.000 2.492 548 S HA 0.105 4.575 4.470 -0.000 0.000 0.218 548 S C 1.187 175.764 174.600 -0.039 0.000 1.016 548 S CA -0.143 58.027 58.200 -0.051 0.000 0.916 548 S CB -0.482 62.695 63.200 -0.039 0.000 0.791 548 S HN 0.522 nan 8.310 nan 0.000 0.513 549 L N 0.972 122.176 121.223 -0.033 0.000 2.121 549 L HA 0.471 4.811 4.340 -0.000 0.000 0.200 549 L C 0.134 176.987 176.870 -0.029 0.000 1.132 549 L CA 1.144 55.968 54.840 -0.027 0.000 0.782 549 L CB -0.350 41.697 42.059 -0.021 0.000 0.940 549 L HN 0.263 nan 8.230 nan 0.000 0.458 550 L N 0.350 121.554 121.223 -0.031 0.000 2.307 550 L HA 0.551 4.891 4.340 -0.000 0.000 0.284 550 L C 0.288 177.138 176.870 -0.034 0.000 1.023 550 L CA 0.258 55.080 54.840 -0.031 0.000 0.810 550 L CB -0.018 42.022 42.059 -0.032 0.000 1.231 550 L HN 0.569 nan 8.230 nan 0.000 0.423 551 G N 3.385 112.169 108.800 -0.027 0.000 2.880 551 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.617 551 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.617 551 G C 0.467 175.345 174.900 -0.036 0.000 1.493 551 G CA -0.301 44.788 45.100 -0.018 0.000 0.916 551 G HN 0.617 nan 8.290 nan 0.000 0.553 552 Q N -0.845 118.950 119.800 -0.008 0.000 2.083 552 Q HA 0.145 4.485 4.340 -0.000 0.000 0.198 552 Q C 0.781 176.609 176.000 -0.288 0.000 0.969 552 Q CA 1.436 57.183 55.803 -0.093 0.000 0.838 552 Q CB 0.224 29.009 28.738 0.078 0.000 0.900 552 Q HN 0.492 nan 8.270 nan 0.000 0.436 553 F N -0.494 119.422 119.950 -0.058 0.000 2.593 553 F HA 0.394 4.921 4.527 -0.000 0.000 0.320 553 F C -0.062 175.682 175.800 -0.094 0.000 1.060 553 F CA -0.929 57.031 58.000 -0.067 0.000 0.940 553 F CB 1.844 40.794 39.000 -0.083 0.000 1.268 553 F HN -0.255 nan 8.300 nan 0.000 0.475 554 Q N 2.714 122.578 119.800 0.106 0.000 2.320 554 Q HA 0.503 4.843 4.340 -0.000 0.000 0.268 554 Q C -1.389 174.585 176.000 -0.044 0.000 1.023 554 Q CA -0.386 55.406 55.803 -0.017 0.000 0.744 554 Q CB 1.287 29.992 28.738 -0.054 0.000 1.246 554 Q HN 0.650 nan 8.270 nan 0.000 0.462 555 I N 4.238 124.748 120.570 -0.101 0.000 2.363 555 I HA 0.165 4.335 4.170 -0.000 0.000 0.292 555 I C -0.378 175.570 176.117 -0.283 0.000 1.075 555 I CA -0.413 60.808 61.300 -0.132 0.000 1.333 555 I CB 0.885 38.833 38.000 -0.088 0.000 1.415 555 I HN 0.291 nan 8.210 nan 0.000 0.502 556 V N 9.212 128.906 119.914 -0.367 0.000 2.435 556 V HA 0.334 4.454 4.120 -0.000 0.000 0.290 556 V C -2.052 173.623 176.094 -0.699 0.000 1.030 556 V CA -1.512 60.394 62.300 -0.657 0.000 0.881 556 V CB 1.750 32.944 31.823 -1.047 0.000 0.983 556 V HN 0.589 nan 8.190 nan 0.000 0.445 557 P HA 0.305 nan 4.420 nan 0.000 0.234 557 P C -0.662 176.361 177.300 -0.461 0.000 1.799 557 P CA -0.409 62.299 63.100 -0.653 0.000 1.118 557 P CB -0.035 31.077 31.700 -0.980 0.000 1.827 558 F N 2.931 122.755 119.950 -0.211 0.000 2.529 558 F HA 0.231 4.758 4.527 -0.000 0.000 0.365 558 F C 1.262 177.046 175.800 -0.027 0.000 1.102 558 F CA 0.133 58.049 58.000 -0.140 0.000 1.271 558 F CB 0.566 39.480 39.000 -0.143 0.000 1.120 558 F HN 0.205 nan 8.300 nan 0.000 0.579 559 I N 4.805 125.477 120.570 0.170 0.000 2.582 559 I HA 0.648 4.818 4.170 -0.000 0.000 0.292 559 I C -0.996 175.189 176.117 0.113 0.000 1.066 559 I CA -0.630 60.752 61.300 0.138 0.000 1.053 559 I CB 1.576 39.614 38.000 0.063 0.000 1.241 559 I HN 0.838 nan 8.210 nan 0.000 0.421 560 R N 4.984 125.587 120.500 0.171 0.000 2.733 560 R HA 0.407 4.747 4.340 -0.000 0.000 0.272 560 R C -1.866 174.497 176.300 0.104 0.000 1.029 560 R CA -0.961 55.202 56.100 0.104 0.000 0.888 560 R CB 1.262 31.581 30.300 0.033 0.000 1.251 560 R HN 0.628 nan 8.270 nan 0.000 0.464 561 Q N 1.167 120.957 119.800 -0.015 0.000 2.227 561 Q HA 0.427 4.767 4.340 -0.000 0.000 0.245 561 Q C -1.216 174.715 176.000 -0.115 0.000 0.926 561 Q CA -0.878 54.799 55.803 -0.210 0.000 0.895 561 Q CB 1.983 30.519 28.738 -0.338 0.000 1.230 561 Q HN 0.463 nan 8.270 nan 0.000 0.450 562 V N 4.005 123.848 119.914 -0.118 0.000 2.259 562 V HA 0.198 4.318 4.120 -0.000 0.000 0.267 562 V C -0.396 175.669 176.094 -0.047 0.000 1.051 562 V CA -0.474 61.808 62.300 -0.030 0.000 0.830 562 V CB 0.812 32.683 31.823 0.079 0.000 1.080 562 V HN 0.864 nan 8.190 nan 0.000 0.467 563 T N 5.819 120.322 114.554 -0.085 0.000 2.884 563 T HA 0.344 4.694 4.350 -0.000 0.000 0.298 563 T C -0.056 174.556 174.700 -0.146 0.000 0.998 563 T CA -0.092 61.956 62.100 -0.086 0.000 1.124 563 T CB 1.104 69.929 68.868 -0.071 0.000 0.931 563 T HN 0.395 nan 8.240 nan 0.000 0.531 564 L N 3.401 124.551 121.223 -0.122 0.000 2.255 564 L HA 0.582 4.922 4.340 -0.000 0.000 0.289 564 L C 0.099 176.912 176.870 -0.095 0.000 1.046 564 L CA 0.269 55.001 54.840 -0.181 0.000 0.816 564 L CB 0.350 42.350 42.059 -0.099 0.000 1.197 564 L HN 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