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 1z4y_1_A DATA FIRST_RESID 118 DATA SEQUENCE INDNRYINGI NQFYFSIAEG RNLTLGPLLN MPSFIPTATT PEGcTRIPSF DATA SEQUENCE SLTKTHWcYT HNVILNGcXX XXXSNQFVSM 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 0.000 176.054 176.117 -0.106 0.000 1.063 118 I CA 0.000 61.206 61.300 -0.157 0.000 1.566 118 I CB 0.000 37.939 38.000 -0.102 0.000 1.214 119 N N 3.780 122.438 118.700 -0.071 0.000 2.381 119 N HA 0.044 4.784 4.740 0.000 0.000 0.241 119 N C -0.867 174.657 175.510 0.024 0.000 1.279 119 N CA 0.183 53.219 53.050 -0.024 0.000 0.896 119 N CB 0.373 38.861 38.487 0.001 0.000 1.118 119 N HN 0.603 nan 8.380 nan 0.000 0.438 120 D N -0.280 120.175 120.400 0.091 0.000 2.382 120 D HA 0.029 4.669 4.640 0.000 0.000 0.240 120 D C 0.977 177.257 176.300 -0.033 0.000 1.146 120 D CA -0.245 53.773 54.000 0.031 0.000 0.897 120 D CB 0.550 41.377 40.800 0.045 0.000 1.197 120 D HN 0.241 nan 8.370 nan 0.000 0.432 121 N N 1.808 120.468 118.700 -0.067 0.000 2.430 121 N HA -0.134 4.606 4.740 0.000 0.000 0.186 121 N C 1.116 176.543 175.510 -0.138 0.000 1.032 121 N CA 0.622 53.630 53.050 -0.071 0.000 0.893 121 N CB -0.006 38.448 38.487 -0.055 0.000 0.957 121 N HN 0.432 nan 8.380 nan 0.000 0.442 122 R N -0.527 119.785 120.500 -0.313 0.000 2.307 122 R HA -0.025 4.315 4.340 0.000 0.000 0.199 122 R C 0.574 176.533 176.300 -0.569 0.000 1.000 122 R CA 0.704 56.500 56.100 -0.506 0.000 1.023 122 R CB 0.106 29.954 30.300 -0.754 0.000 0.908 122 R HN 0.411 nan 8.270 nan 0.000 0.473 123 Y N -0.980 119.339 120.300 0.032 0.000 2.494 123 Y HA 0.127 4.677 4.550 -0.000 0.000 0.271 123 Y C 1.903 177.825 175.900 0.038 0.000 1.113 123 Y CA -0.732 57.397 58.100 0.047 0.000 1.240 123 Y CB -0.397 38.041 38.460 -0.036 0.000 1.268 123 Y HN -0.119 nan 8.280 nan 0.000 0.510 124 I N -0.944 119.703 120.570 0.129 0.000 2.381 124 I HA -0.270 3.900 4.170 0.000 0.000 0.255 124 I C 0.677 176.856 176.117 0.103 0.000 1.140 124 I CA 1.935 63.290 61.300 0.091 0.000 1.404 124 I CB -0.212 37.817 38.000 0.047 0.000 1.075 124 I HN 0.091 nan 8.210 nan 0.000 0.433 125 N N 1.097 119.863 118.700 0.110 0.000 2.238 125 N HA 0.208 4.948 4.740 0.000 0.000 0.222 125 N C 1.012 176.627 175.510 0.174 0.000 1.133 125 N CA 0.670 53.792 53.050 0.120 0.000 0.854 125 N CB 1.260 39.798 38.487 0.086 0.000 1.041 125 N HN 0.558 nan 8.380 nan 0.000 0.510 126 G N -0.035 108.902 108.800 0.229 0.000 4.100 126 G HA2 0.349 4.309 3.960 0.000 0.000 0.294 126 G HA3 0.349 4.309 3.960 0.000 0.000 0.294 126 G C 0.000 175.159 174.900 0.431 0.000 1.040 126 G CA -0.093 45.190 45.100 0.306 0.000 0.829 126 G HN 0.069 nan 8.290 nan 0.000 0.505 127 I N 0.369 121.157 120.570 0.363 0.000 2.493 127 I HA 0.282 4.452 4.170 0.000 0.000 0.298 127 I C -0.376 175.947 176.117 0.344 0.000 0.998 127 I CA -0.987 60.539 61.300 0.376 0.000 1.137 127 I CB 1.644 39.775 38.000 0.218 0.000 1.310 127 I HN -0.050 nan 8.210 nan 0.000 0.445 128 N N 4.404 123.358 118.700 0.422 0.000 2.696 128 N HA -0.199 4.541 4.740 0.000 0.000 0.256 128 N C -0.877 174.649 175.510 0.026 0.000 1.031 128 N CA 0.817 54.001 53.050 0.223 0.000 0.730 128 N CB -0.766 37.775 38.487 0.090 0.000 0.894 128 N HN 0.641 nan 8.380 nan 0.000 0.544 129 Q N -1.089 118.689 119.800 -0.037 0.000 2.615 129 Q HA 0.574 4.914 4.340 0.000 0.000 0.298 129 Q C -0.860 174.734 176.000 -0.678 0.000 1.023 129 Q CA -0.726 54.900 55.803 -0.296 0.000 0.768 129 Q CB 1.030 29.706 28.738 -0.102 0.000 1.500 129 Q HN 0.130 nan 8.270 nan 0.000 0.441 130 F N 1.377 121.141 119.950 -0.309 0.000 2.404 130 F HA 0.247 4.774 4.527 0.000 0.000 0.358 130 F C 0.197 175.771 175.800 -0.377 0.000 1.120 130 F CA -0.232 57.557 58.000 -0.351 0.000 1.144 130 F CB 0.385 39.247 39.000 -0.230 0.000 1.133 130 F HN 0.555 nan 8.300 nan 0.000 0.495 131 Y N 1.477 121.856 120.300 0.132 0.000 2.490 131 Y HA 0.175 4.725 4.550 0.000 0.000 0.285 131 Y C 0.242 175.805 175.900 -0.562 0.000 1.117 131 Y CA -0.059 57.878 58.100 -0.271 0.000 1.262 131 Y CB -0.304 37.850 38.460 -0.509 0.000 1.043 131 Y HN 0.212 nan 8.280 nan 0.000 0.553 132 F N -0.967 119.128 119.950 0.242 0.000 2.579 132 F HA 0.485 5.012 4.527 -0.000 0.000 0.324 132 F C 0.399 176.241 175.800 0.071 0.000 1.058 132 F CA -1.989 56.097 58.000 0.144 0.000 0.944 132 F CB 1.146 40.220 39.000 0.124 0.000 1.245 132 F HN -0.346 nan 8.300 nan 0.000 0.477 133 S N 1.656 117.512 115.700 0.260 0.000 2.632 133 S HA 0.361 4.832 4.470 0.000 0.000 0.271 133 S C 1.174 175.824 174.600 0.083 0.000 1.260 133 S CA -0.772 57.499 58.200 0.118 0.000 1.010 133 S CB 0.721 63.979 63.200 0.097 0.000 0.965 133 S HN 0.456 nan 8.310 nan 0.000 0.534 134 I N 1.344 121.924 120.570 0.017 0.000 2.145 134 I HA -0.246 3.924 4.170 0.000 0.000 0.244 134 I C 2.847 178.965 176.117 0.001 0.000 1.075 134 I CA 2.129 63.423 61.300 -0.010 0.000 1.332 134 I CB -2.441 35.538 38.000 -0.034 0.000 1.033 134 I HN 0.872 nan 8.210 nan 0.000 0.410 135 A N 0.550 123.376 122.820 0.011 0.000 1.902 135 A HA -0.208 4.112 4.320 0.000 0.000 0.217 135 A C 2.260 179.844 177.584 -0.000 0.000 1.181 135 A CA 1.674 53.714 52.037 0.005 0.000 0.623 135 A CB -0.633 18.375 19.000 0.013 0.000 0.818 135 A HN 0.538 nan 8.150 nan 0.000 0.443 136 E N -0.717 119.500 120.200 0.028 0.000 2.106 136 E HA -0.076 4.274 4.350 0.000 0.000 0.192 136 E C 2.099 178.634 176.600 -0.109 0.000 0.984 136 E CA 0.587 56.984 56.400 -0.006 0.000 0.806 136 E CB -0.379 29.395 29.700 0.123 0.000 0.750 136 E HN 0.612 nan 8.360 nan 0.000 0.458 137 G N 1.450 110.223 108.800 -0.046 0.000 2.450 137 G HA2 -0.294 3.666 3.960 0.000 0.000 0.220 137 G HA3 -0.294 3.666 3.960 0.000 0.000 0.220 137 G C 1.527 176.364 174.900 -0.105 0.000 1.130 137 G CA 0.445 45.496 45.100 -0.081 0.000 0.760 137 G HN 0.125 nan 8.290 nan 0.000 0.557 138 R N -0.106 120.347 120.500 -0.078 0.000 2.189 138 R HA 0.016 4.356 4.340 0.000 0.000 0.223 138 R C 0.695 176.942 176.300 -0.089 0.000 1.092 138 R CA 0.806 56.862 56.100 -0.073 0.000 0.989 138 R CB 0.031 30.301 30.300 -0.051 0.000 0.876 138 R HN 0.205 nan 8.270 nan 0.000 0.457 139 N N 0.410 119.041 118.700 -0.115 0.000 2.389 139 N HA 0.152 4.892 4.740 0.000 0.000 0.260 139 N C -0.858 174.549 175.510 -0.172 0.000 1.191 139 N CA 0.068 53.047 53.050 -0.119 0.000 0.885 139 N CB 0.740 39.171 38.487 -0.093 0.000 1.162 139 N HN 0.049 nan 8.380 nan 0.000 0.512 140 L N -0.105 120.995 121.223 -0.206 0.000 2.325 140 L HA 0.489 4.829 4.340 0.000 0.000 0.279 140 L C 0.702 177.477 176.870 -0.159 0.000 1.054 140 L CA -0.177 54.511 54.840 -0.254 0.000 0.804 140 L CB 1.857 43.706 42.059 -0.350 0.000 1.200 140 L HN -0.125 nan 8.230 nan 0.000 0.436 141 T N 2.741 117.210 114.554 -0.141 0.000 2.896 141 T HA 0.588 4.938 4.350 0.000 0.000 0.297 141 T C -0.881 173.768 174.700 -0.086 0.000 1.108 141 T CA -0.588 61.454 62.100 -0.097 0.000 1.004 141 T CB 1.084 69.903 68.868 -0.082 0.000 1.159 141 T HN 0.338 nan 8.240 nan 0.000 0.499 142 L N 3.003 124.183 121.223 -0.072 0.000 2.292 142 L HA 0.601 4.941 4.340 0.000 0.000 0.284 142 L C 1.359 178.189 176.870 -0.067 0.000 1.065 142 L CA -0.773 54.026 54.840 -0.069 0.000 0.806 142 L CB 0.973 42.980 42.059 -0.086 0.000 1.175 142 L HN 0.824 nan 8.230 nan 0.000 0.431 143 G N 2.771 111.532 108.800 -0.065 0.000 2.557 143 G HA2 0.488 4.448 3.960 0.000 0.000 0.292 143 G HA3 0.488 4.448 3.960 0.000 0.000 0.292 143 G C -2.514 172.356 174.900 -0.050 0.000 1.237 143 G CA -0.980 44.087 45.100 -0.055 0.000 0.978 143 G HN 0.395 nan 8.290 nan 0.000 0.498 144 P HA 0.168 nan 4.420 nan 0.000 0.272 144 P C -0.204 177.073 177.300 -0.040 0.000 1.223 144 P CA -0.305 62.777 63.100 -0.031 0.000 0.784 144 P CB 0.952 32.645 31.700 -0.012 0.000 0.923 145 L N 1.796 123.000 121.223 -0.032 0.000 2.416 145 L HA 0.131 4.471 4.340 0.000 0.000 0.272 145 L C 0.553 177.384 176.870 -0.065 0.000 1.161 145 L CA -0.201 54.625 54.840 -0.024 0.000 0.845 145 L CB -0.213 41.862 42.059 0.026 0.000 1.119 145 L HN 0.226 nan 8.230 nan 0.000 0.464 146 L N 3.005 124.130 121.223 -0.162 0.000 2.334 146 L HA 0.377 4.717 4.340 0.000 0.000 0.275 146 L C -0.044 176.655 176.870 -0.286 0.000 1.036 146 L CA -0.394 54.203 54.840 -0.405 0.000 0.807 146 L CB 1.182 42.654 42.059 -0.978 0.000 1.231 146 L HN 0.451 nan 8.230 nan 0.000 0.438 147 N N 3.473 122.071 118.700 -0.169 0.000 2.439 147 N HA 0.553 5.293 4.740 0.000 0.000 0.249 147 N C -0.852 174.759 175.510 0.169 0.000 1.003 147 N CA -0.443 52.619 53.050 0.020 0.000 0.942 147 N CB 0.604 39.138 38.487 0.079 0.000 1.115 147 N HN 0.621 nan 8.380 nan 0.000 0.505 148 M N 1.517 121.200 119.600 0.140 0.000 2.690 148 M HA 0.739 5.219 4.480 0.000 0.000 0.302 148 M C -2.626 173.768 176.300 0.157 0.000 1.234 148 M CA -1.987 53.465 55.300 0.253 0.000 0.853 148 M CB 1.600 34.411 32.600 0.352 0.000 1.748 148 M HN 0.135 nan 8.290 nan 0.000 0.469 149 P HA 0.179 nan 4.420 nan 0.000 0.271 149 P C -0.863 176.539 177.300 0.170 0.000 1.226 149 P CA -0.070 63.123 63.100 0.156 0.000 0.765 149 P CB 0.994 32.804 31.700 0.184 0.000 0.835 150 S N 2.376 118.075 115.700 -0.001 0.000 2.549 150 S HA 0.169 4.639 4.470 0.000 0.000 0.279 150 S C 0.654 175.190 174.600 -0.107 0.000 1.321 150 S CA -0.572 57.520 58.200 -0.180 0.000 1.054 150 S CB -0.268 62.744 63.200 -0.313 0.000 0.899 150 S HN 0.400 nan 8.310 nan 0.000 0.497 151 F N 3.732 123.579 119.950 -0.171 0.000 2.693 151 F HA 0.528 5.055 4.527 -0.000 0.000 0.303 151 F C -0.061 175.634 175.800 -0.175 0.000 1.097 151 F CA -0.742 57.202 58.000 -0.093 0.000 1.330 151 F CB -0.168 38.760 39.000 -0.121 0.000 1.067 151 F HN 0.277 nan 8.300 nan 0.000 0.565 152 I N 4.917 125.061 120.570 -0.709 0.000 2.328 152 I HA 0.289 4.459 4.170 0.000 0.000 0.287 152 I C -2.078 173.852 176.117 -0.312 0.000 1.012 152 I CA -2.275 58.673 61.300 -0.587 0.000 1.195 152 I CB 1.127 38.638 38.000 -0.816 0.000 1.350 152 I HN -0.126 nan 8.210 nan 0.000 0.464 153 P HA 0.051 nan 4.420 nan 0.000 0.268 153 P C -0.218 176.986 177.300 -0.159 0.000 1.205 153 P CA 0.059 62.972 63.100 -0.312 0.000 0.771 153 P CB 0.869 32.148 31.700 -0.700 0.000 0.858 154 T N 1.365 115.833 114.554 -0.143 0.000 2.934 154 T HA 0.516 4.866 4.350 0.000 0.000 0.283 154 T C 0.241 174.888 174.700 -0.088 0.000 1.005 154 T CA -0.191 61.848 62.100 -0.101 0.000 1.041 154 T CB 0.913 69.726 68.868 -0.093 0.000 1.042 154 T HN 0.523 nan 8.240 nan 0.000 0.505 155 A N 1.064 123.846 122.820 -0.063 0.000 2.332 155 A HA 0.504 4.824 4.320 0.000 0.000 0.258 155 A C 1.203 178.763 177.584 -0.040 0.000 1.087 155 A CA -0.271 51.739 52.037 -0.045 0.000 0.802 155 A CB 0.094 19.078 19.000 -0.026 0.000 1.042 155 A HN 0.916 nan 8.150 nan 0.000 0.489 156 T N -2.221 112.316 114.554 -0.029 0.000 3.132 156 T HA 0.382 4.732 4.350 0.000 0.000 0.274 156 T C 0.256 174.949 174.700 -0.012 0.000 1.011 156 T CA 0.460 62.546 62.100 -0.023 0.000 0.899 156 T CB -0.827 68.027 68.868 -0.023 0.000 1.089 156 T HN 1.132 nan 8.240 nan 0.000 0.543 157 T N -1.846 112.703 114.554 -0.009 0.000 2.896 157 T HA 0.564 4.914 4.350 0.000 0.000 0.297 157 T C -2.669 172.028 174.700 -0.005 0.000 1.108 157 T CA -1.745 60.353 62.100 -0.003 0.000 1.004 157 T CB 2.075 70.946 68.868 0.005 0.000 1.159 157 T HN -0.344 nan 8.240 nan 0.000 0.499 158 P HA -0.061 nan 4.420 nan 0.000 0.218 158 P C 1.299 178.595 177.300 -0.006 0.000 1.149 158 P CA 0.810 63.904 63.100 -0.010 0.000 0.817 158 P CB 0.204 31.898 31.700 -0.010 0.000 0.785 159 E N -0.245 119.957 120.200 0.003 0.000 2.481 159 E HA 0.078 4.428 4.350 0.000 0.000 0.198 159 E C 0.892 177.506 176.600 0.024 0.000 1.027 159 E CA 0.022 56.430 56.400 0.013 0.000 0.900 159 E CB -0.719 28.990 29.700 0.015 0.000 0.993 159 E HN -0.030 nan 8.360 nan 0.000 0.482 160 G N 1.334 110.145 108.800 0.020 0.000 2.432 160 G HA2 0.142 4.102 3.960 0.000 0.000 0.239 160 G HA3 0.142 4.102 3.960 0.000 0.000 0.239 160 G C -0.609 174.312 174.900 0.034 0.000 1.291 160 G CA -0.008 45.107 45.100 0.025 0.000 0.863 160 G HN 0.294 nan 8.290 nan 0.000 0.560 161 c N 3.235 121.857 118.600 0.036 0.000 2.301 161 c HA 0.783 5.353 4.570 0.000 0.000 0.323 161 c C 0.516 174.586 174.090 -0.034 0.000 1.265 161 c CA -0.389 55.966 56.329 0.043 0.000 1.503 161 c CB -0.076 42.469 42.510 0.058 0.000 2.195 161 c HN 0.946 nan 8.230 nan 0.000 0.477 162 T N 4.650 119.149 114.554 -0.093 0.000 2.772 162 T HA 0.717 5.067 4.350 0.000 0.000 0.288 162 T C -0.456 174.045 174.700 -0.332 0.000 0.994 162 T CA -0.553 61.355 62.100 -0.319 0.000 0.951 162 T CB 0.750 69.327 68.868 -0.486 0.000 0.933 162 T HN 0.886 nan 8.240 nan 0.000 0.447 163 R N 2.140 122.438 120.500 -0.336 0.000 2.795 163 R HA 0.525 4.865 4.340 0.000 0.000 0.268 163 R C -0.700 175.476 176.300 -0.207 0.000 1.041 163 R CA -1.246 54.653 56.100 -0.336 0.000 0.927 163 R CB 1.141 31.180 30.300 -0.434 0.000 1.235 163 R HN 0.563 nan 8.270 nan 0.000 0.463 164 I N 0.447 120.888 120.570 -0.215 0.000 7.179 164 I HA -0.148 4.022 4.170 0.000 0.000 0.126 164 I C -2.291 173.818 176.117 -0.015 0.000 1.827 164 I CA -0.023 61.240 61.300 -0.061 0.000 2.067 164 I CB -2.161 35.831 38.000 -0.012 0.000 3.592 164 I HN 0.498 nan 8.210 nan 0.000 0.178 165 P HA 0.414 nan 4.420 nan 0.000 0.278 165 P C -0.232 176.864 177.300 -0.340 0.000 1.258 165 P CA -0.254 62.771 63.100 -0.125 0.000 0.811 165 P CB 2.276 33.999 31.700 0.037 0.000 1.063 166 S N 0.894 116.445 115.700 -0.248 0.000 2.572 166 S HA 0.648 5.118 4.470 0.000 0.000 0.274 166 S C -1.909 172.783 174.600 0.152 0.000 1.150 166 S CA -0.502 57.656 58.200 -0.069 0.000 0.944 166 S CB 0.193 63.409 63.200 0.027 0.000 1.071 166 S HN 0.346 nan 8.310 nan 0.000 0.479 167 F N 3.602 123.625 119.950 0.121 0.000 2.557 167 F HA 0.708 5.235 4.527 -0.000 0.000 0.316 167 F C -0.556 175.369 175.800 0.209 0.000 1.141 167 F CA -0.231 57.912 58.000 0.240 0.000 0.922 167 F CB 2.033 41.200 39.000 0.279 0.000 1.194 167 F HN 0.478 nan 8.300 nan 0.000 0.443 168 S N 6.824 122.256 115.700 -0.446 0.000 2.561 168 S HA 0.784 5.254 4.470 0.000 0.000 0.303 168 S C -1.997 172.275 174.600 -0.546 0.000 1.110 168 S CA -0.541 57.466 58.200 -0.322 0.000 1.034 168 S CB 1.167 64.293 63.200 -0.123 0.000 1.010 168 S HN 0.762 nan 8.310 nan 0.000 0.482 169 L N 4.469 125.500 121.223 -0.321 0.000 2.365 169 L HA 0.859 5.199 4.340 0.000 0.000 0.273 169 L C -0.337 176.470 176.870 -0.104 0.000 1.000 169 L CA 0.324 55.032 54.840 -0.219 0.000 0.819 169 L CB 2.130 44.153 42.059 -0.060 0.000 1.284 169 L HN 0.728 nan 8.230 nan 0.000 0.418 170 T N 2.149 116.610 114.554 -0.155 0.000 2.812 170 T HA 0.261 4.611 4.350 0.000 0.000 0.294 170 T C 0.582 175.244 174.700 -0.063 0.000 1.159 170 T CA -0.324 61.720 62.100 -0.094 0.000 1.008 170 T CB 1.928 70.704 68.868 -0.153 0.000 1.289 170 T HN 0.728 nan 8.240 nan 0.000 0.514 171 K N 0.224 120.625 120.400 0.002 0.000 2.052 171 K HA -0.218 4.102 4.320 0.000 0.000 0.215 171 K C 1.900 178.502 176.600 0.004 0.000 1.053 171 K CA 2.801 59.105 56.287 0.028 0.000 0.934 171 K CB -0.479 32.051 32.500 0.050 0.000 0.717 171 K HN 0.724 nan 8.250 nan 0.000 0.450 172 T N -1.845 112.709 114.554 -0.000 0.000 3.009 172 T HA -0.024 4.326 4.350 0.000 0.000 0.258 172 T C 0.839 175.562 174.700 0.039 0.000 1.063 172 T CA 0.636 62.755 62.100 0.031 0.000 1.139 172 T CB -0.245 68.678 68.868 0.091 0.000 0.890 172 T HN 0.551 nan 8.240 nan 0.000 0.471 173 H N -1.345 117.614 119.070 -0.184 0.000 2.863 173 H HA 0.397 4.953 4.556 0.000 0.000 0.274 173 H C -1.683 173.526 175.328 -0.198 0.000 1.457 173 H CA -1.584 54.293 56.048 -0.286 0.000 1.151 173 H CB -0.250 29.253 29.762 -0.431 0.000 1.844 173 H HN 0.488 nan 8.280 nan 0.000 0.562 174 W N 0.172 121.300 121.300 -0.287 0.000 2.882 174 W HA 0.693 5.353 4.660 -0.000 0.000 0.345 174 W C -1.677 174.703 176.519 -0.232 0.000 1.125 174 W CA -1.148 55.957 57.345 -0.400 0.000 1.167 174 W CB 1.235 30.480 29.460 -0.358 0.000 1.431 174 W HN 0.525 nan 8.180 nan 0.000 0.543 175 c N 2.460 121.107 118.600 0.079 0.000 2.563 175 c HA 0.687 5.257 4.570 0.000 0.000 0.314 175 c C -0.998 173.320 174.090 0.379 0.000 1.199 175 c CA -0.312 56.126 56.329 0.181 0.000 1.564 175 c CB 0.891 43.417 42.510 0.027 0.000 2.173 175 c HN 0.627 nan 8.230 nan 0.000 0.485 176 Y N 0.972 121.522 120.300 0.417 0.000 2.524 176 Y HA 0.754 5.304 4.550 -0.000 0.000 0.347 176 Y C -0.238 175.831 175.900 0.282 0.000 1.005 176 Y CA -0.112 58.274 58.100 0.477 0.000 1.025 176 Y CB 2.085 40.999 38.460 0.756 0.000 1.275 176 Y HN 0.704 nan 8.280 nan 0.000 0.460 177 T N 5.040 119.060 114.554 -0.890 0.000 2.885 177 T HA 0.528 4.878 4.350 0.000 0.000 0.322 177 T C -2.072 172.267 174.700 -0.602 0.000 1.387 177 T CA -0.454 61.299 62.100 -0.579 0.000 1.041 177 T CB 0.808 69.552 68.868 -0.206 0.000 1.287 177 T HN 1.010 nan 8.240 nan 0.000 0.491 178 H N 1.618 120.581 119.070 -0.179 0.000 3.014 178 H HA 0.491 5.047 4.556 -0.000 0.000 0.337 178 H C -1.339 174.017 175.328 0.045 0.000 1.320 178 H CA -1.063 54.940 56.048 -0.075 0.000 1.128 178 H CB 1.211 30.968 29.762 -0.008 0.000 1.862 178 H HN 0.524 nan 8.280 nan 0.000 0.536 179 N N 1.239 120.064 118.700 0.209 0.000 2.518 179 N HA 0.264 5.004 4.740 0.000 0.000 0.283 179 N C -1.147 174.423 175.510 0.100 0.000 1.119 179 N CA -0.301 52.826 53.050 0.128 0.000 0.983 179 N CB 1.775 40.271 38.487 0.016 0.000 1.139 179 N HN 0.334 nan 8.380 nan 0.000 0.465 180 V N 4.981 124.990 119.914 0.159 0.000 2.487 180 V HA 0.494 4.614 4.120 0.000 0.000 0.298 180 V C -0.054 176.096 176.094 0.093 0.000 1.028 180 V CA -0.640 61.746 62.300 0.143 0.000 0.860 180 V CB 1.462 33.482 31.823 0.329 0.000 0.991 180 V HN 0.525 nan 8.190 nan 0.000 0.427 181 I N 4.948 125.549 120.570 0.052 0.000 2.436 181 I HA 0.338 4.508 4.170 0.000 0.000 0.289 181 I C 0.976 177.123 176.117 0.050 0.000 1.010 181 I CA -0.567 60.758 61.300 0.042 0.000 1.098 181 I CB 2.258 40.271 38.000 0.022 0.000 1.266 181 I HN 0.517 nan 8.210 nan 0.000 0.434 182 L N 3.973 125.229 121.223 0.055 0.000 2.046 182 L HA -0.155 4.185 4.340 0.000 0.000 0.208 182 L C 1.233 178.127 176.870 0.040 0.000 1.077 182 L CA 1.408 56.280 54.840 0.053 0.000 0.747 182 L CB -0.665 41.426 42.059 0.054 0.000 0.896 182 L HN 0.857 nan 8.230 nan 0.000 0.432 183 N N -0.032 118.690 118.700 0.036 0.000 2.573 183 N HA 0.503 5.243 4.740 0.000 0.000 0.262 183 N C 0.329 175.861 175.510 0.037 0.000 1.029 183 N CA 0.161 53.230 53.050 0.033 0.000 0.882 183 N CB 0.980 39.484 38.487 0.029 0.000 1.204 183 N HN 0.377 nan 8.380 nan 0.000 0.519 184 G N -0.224 108.601 108.800 0.042 0.000 2.846 184 G HA2 -0.074 3.886 3.960 0.000 0.000 0.660 184 G HA3 -0.074 3.886 3.960 0.000 0.000 0.660 184 G C 0.279 175.215 174.900 0.061 0.000 1.464 184 G CA -0.178 44.955 45.100 0.055 0.000 0.891 184 G HN 1.258 nan 8.290 nan 0.000 0.552 192 N N 0.378 119.044 118.700 -0.056 0.000 2.380 192 N HA 0.643 5.383 4.740 0.000 0.000 0.290 192 N C -1.509 173.984 175.510 -0.028 0.000 1.236 192 N CA -0.494 52.451 53.050 -0.175 0.000 0.780 192 N CB 1.761 39.967 38.487 -0.468 0.000 1.438 192 N HN 0.745 nan 8.380 nan 0.000 0.491 193 Q N 0.767 120.529 119.800 -0.063 0.000 2.327 193 Q HA 0.412 4.752 4.340 0.000 0.000 0.270 193 Q C -1.749 174.380 176.000 0.215 0.000 1.022 193 Q CA -0.524 55.331 55.803 0.087 0.000 0.773 193 Q CB 0.742 29.472 28.738 -0.013 0.000 1.251 193 Q HN 0.494 nan 8.270 nan 0.000 0.457 194 F N 4.633 124.720 119.950 0.229 0.000 2.420 194 F HA 0.617 5.144 4.527 -0.000 0.000 0.352 194 F C -1.079 174.732 175.800 0.019 0.000 1.108 194 F CA -0.378 57.741 58.000 0.200 0.000 1.162 194 F CB 0.636 39.663 39.000 0.044 0.000 1.118 194 F HN 0.346 nan 8.300 nan 0.000 0.510 195 V N 5.190 124.687 119.914 -0.695 0.000 2.680 195 V HA 0.595 4.715 4.120 0.000 0.000 0.309 195 V C -0.522 175.180 176.094 -0.654 0.000 1.052 195 V CA -0.610 61.402 62.300 -0.480 0.000 0.908 195 V CB 1.765 33.449 31.823 -0.233 0.000 1.001 195 V HN 0.838 nan 8.190 nan 0.000 0.431 196 S N 4.224 119.831 115.700 -0.156 0.000 2.595 196 S HA 0.942 5.412 4.470 0.000 0.000 0.281 196 S C -0.990 173.698 174.600 0.146 0.000 1.117 196 S CA -0.677 57.584 58.200 0.101 0.000 0.873 196 S CB 1.642 65.226 63.200 0.641 0.000 1.108 196 S HN 0.868 nan 8.310 nan 0.000 0.477 197 M N 1.658 121.184 119.600 -0.124 0.000 2.471 197 M HA 0.835 5.315 4.480 0.000 0.000 0.284 197 M C -0.491 175.177 176.300 -1.054 0.000 1.203 197 M CA -0.556 54.403 55.300 -0.568 0.000 0.915 197 M CB 1.320 33.773 32.600 -0.245 0.000 1.734 197 M HN 0.828 nan 8.290 nan 0.000 0.485 198 G N 2.022 109.703 108.800 -1.865 0.000 2.435 198 G HA2 0.662 4.622 3.960 0.000 0.000 0.296 198 G HA3 0.662 4.622 3.960 0.000 0.000 0.296 198 G C -1.834 172.276 174.900 -1.317 0.000 1.240 198 G CA -0.446 43.819 45.100 -1.391 0.000 0.872 198 G HN 1.316 nan 8.290 nan 0.000 0.480 199 I N -2.252 117.951 120.570 -0.611 0.000 3.239 199 I HA 0.824 4.994 4.170 0.000 0.000 0.314 199 I C -1.065 174.971 176.117 -0.135 0.000 1.126 199 I CA -1.590 59.531 61.300 -0.299 0.000 0.973 199 I CB 2.317 40.174 38.000 -0.238 0.000 1.252 199 I HN 0.421 nan 8.210 nan 0.000 0.463 200 I N 1.681 122.079 120.570 -0.286 0.000 2.441 200 I HA 0.468 4.638 4.170 0.000 0.000 0.295 200 I C -0.732 175.280 176.117 -0.174 0.000 0.994 200 I CA -0.289 60.657 61.300 -0.590 0.000 1.144 200 I CB 1.852 39.144 38.000 -1.180 0.000 1.314 200 I HN 0.760 nan 8.210 nan 0.000 0.445 201 E N 6.978 127.144 120.200 -0.056 0.000 2.366 201 E HA 0.521 4.871 4.350 0.000 0.000 0.278 201 E C -2.989 173.791 176.600 0.300 0.000 0.923 201 E CA -2.124 54.416 56.400 0.234 0.000 0.761 201 E CB 2.493 32.281 29.700 0.145 0.000 1.231 201 E HN 0.157 nan 8.360 nan 0.000 0.443 202 P HA 0.033 nan 4.420 nan 0.000 0.275 202 P C -0.190 177.166 177.300 0.094 0.000 1.228 202 P CA -0.037 63.177 63.100 0.190 0.000 0.786 202 P CB 1.221 32.973 31.700 0.086 0.000 0.927 203 T N -2.188 112.366 114.554 -0.000 0.000 2.923 203 T HA 0.235 4.585 4.350 0.000 0.000 0.281 203 T C 1.463 176.074 174.700 -0.149 0.000 0.995 203 T CA -0.221 61.817 62.100 -0.103 0.000 0.985 203 T CB 0.268 68.990 68.868 -0.242 0.000 1.114 203 T HN 0.360 nan 8.240 nan 0.000 0.548 204 S N -0.247 115.363 115.700 -0.149 0.000 2.507 204 S HA 0.038 4.508 4.470 0.000 0.000 0.235 204 S C 1.946 176.456 174.600 -0.151 0.000 0.988 204 S CA 0.317 58.447 58.200 -0.117 0.000 0.944 204 S CB -0.847 62.302 63.200 -0.086 0.000 0.762 204 S HN 1.000 nan 8.310 nan 0.000 0.526 205 A N 0.568 123.210 122.820 -0.297 0.000 2.178 205 A HA 0.593 4.913 4.320 0.000 0.000 0.211 205 A C 1.872 179.329 177.584 -0.211 0.000 1.157 205 A CA 0.680 52.527 52.037 -0.316 0.000 0.780 205 A CB -0.815 17.799 19.000 -0.643 0.000 0.828 205 A HN 1.360 nan 8.150 nan 0.000 0.476 206 G N -0.828 107.856 108.800 -0.193 0.000 2.308 206 G HA2 -0.244 3.716 3.960 0.000 0.000 0.221 206 G HA3 -0.244 3.716 3.960 0.000 0.000 0.221 206 G C 0.233 175.177 174.900 0.073 0.000 1.032 206 G CA 0.090 45.191 45.100 0.002 0.000 0.623 206 G HN 1.081 nan 8.290 nan 0.000 0.506 207 F N 1.453 121.451 119.950 0.079 0.000 2.378 207 F HA 0.798 5.325 4.527 0.000 0.000 0.319 207 F C -1.831 173.930 175.800 -0.065 0.000 1.155 207 F CA -3.117 54.819 58.000 -0.108 0.000 1.157 207 F CB -0.500 38.496 39.000 -0.007 0.000 1.252 207 F HN 0.008 nan 8.300 nan 0.000 0.550 208 P HA 0.092 nan 4.420 nan 0.000 0.270 208 P C -1.196 176.318 177.300 0.357 0.000 1.227 208 P CA 0.133 63.313 63.100 0.132 0.000 0.788 208 P CB 0.280 31.973 31.700 -0.013 0.000 0.926 209 F N 1.573 121.558 119.950 0.058 0.000 2.730 209 F HA 0.434 4.961 4.527 0.000 0.000 0.335 209 F C -1.834 174.002 175.800 0.061 0.000 1.212 209 F CA -1.596 56.497 58.000 0.154 0.000 1.016 209 F CB 0.285 39.351 39.000 0.111 0.000 1.290 209 F HN 0.011 nan 8.300 nan 0.000 0.495 210 F N 5.796 125.524 119.950 -0.370 0.000 2.468 210 F HA 0.347 4.874 4.527 -0.000 0.000 0.356 210 F C 0.978 176.375 175.800 -0.671 0.000 1.167 210 F CA -0.059 57.623 58.000 -0.530 0.000 1.135 210 F CB 0.314 38.756 39.000 -0.931 0.000 1.197 210 F HN 0.417 nan 8.300 nan 0.000 0.569 211 R N 2.483 122.597 120.500 -0.644 0.000 2.210 211 R HA 0.221 4.561 4.340 0.000 0.000 0.338 211 R C -0.384 175.914 176.300 -0.004 0.000 1.062 211 R CA -0.203 55.562 56.100 -0.559 0.000 0.902 211 R CB 0.398 30.426 30.300 -0.455 0.000 1.050 211 R HN 0.504 nan 8.270 nan 0.000 0.461 212 T N 6.070 120.724 114.554 0.167 0.000 2.814 212 T HA 0.147 4.497 4.350 0.000 0.000 0.297 212 T C 1.234 175.964 174.700 0.050 0.000 0.956 212 T CA -0.126 62.078 62.100 0.172 0.000 1.123 212 T CB 0.753 69.820 68.868 0.331 0.000 0.902 212 T HN 0.564 nan 8.240 nan 0.000 0.528 213 L N 2.267 123.459 121.223 -0.053 0.000 2.638 213 L HA 0.420 4.760 4.340 0.000 0.000 0.232 213 L C 0.841 177.757 176.870 0.077 0.000 1.099 213 L CA 0.194 55.059 54.840 0.040 0.000 0.883 213 L CB 0.259 42.357 42.059 0.064 0.000 1.136 213 L HN 0.489 nan 8.230 nan 0.000 0.492 214 K N -0.506 119.911 120.400 0.029 0.000 2.578 214 K HA 0.402 4.722 4.320 0.000 0.000 0.269 214 K C -1.452 175.146 176.600 -0.002 0.000 0.941 214 K CA -0.321 55.970 56.287 0.006 0.000 0.847 214 K CB 2.699 35.191 32.500 -0.014 0.000 1.397 214 K HN -0.313 nan 8.250 nan 0.000 0.422 215 T N 2.525 117.073 114.554 -0.011 0.000 2.906 215 T HA 0.731 5.081 4.350 0.000 0.000 0.295 215 T C -1.673 172.964 174.700 -0.105 0.000 1.061 215 T CA -0.552 61.511 62.100 -0.062 0.000 1.000 215 T CB 0.968 69.893 68.868 0.095 0.000 1.103 215 T HN 0.374 nan 8.240 nan 0.000 0.486 216 L N 2.391 123.471 121.223 -0.238 0.000 2.466 216 L HA 0.570 4.910 4.340 0.000 0.000 0.258 216 L C -1.678 175.163 176.870 -0.049 0.000 0.973 216 L CA -0.844 53.929 54.840 -0.112 0.000 0.826 216 L CB 1.940 43.930 42.059 -0.116 0.000 1.372 216 L HN 0.616 nan 8.230 nan 0.000 0.409 217 Y N 2.980 123.241 120.300 -0.065 0.000 2.402 217 Y HA 0.554 5.104 4.550 0.000 0.000 0.325 217 Y C -1.113 174.792 175.900 0.010 0.000 1.009 217 Y CA -1.129 56.984 58.100 0.023 0.000 1.278 217 Y CB 1.144 39.680 38.460 0.126 0.000 1.105 217 Y HN 0.430 nan 8.280 nan 0.000 0.476 218 L N 5.327 126.469 121.223 -0.135 0.000 2.454 218 L HA 0.294 4.634 4.340 0.000 0.000 0.284 218 L C 0.337 176.995 176.870 -0.354 0.000 1.139 218 L CA -0.076 54.652 54.840 -0.187 0.000 0.911 218 L CB 0.243 42.227 42.059 -0.125 0.000 1.262 218 L HN 0.570 nan 8.230 nan 0.000 0.453 219 S N 2.711 118.210 115.700 -0.336 0.000 2.664 219 S HA 0.393 4.863 4.470 0.000 0.000 0.262 219 S C -0.274 174.229 174.600 -0.161 0.000 1.229 219 S CA -0.689 57.307 58.200 -0.340 0.000 1.151 219 S CB 0.406 63.337 63.200 -0.448 0.000 1.054 219 S HN 0.732 nan 8.310 nan 0.000 0.483 220 D N 2.220 122.544 120.400 -0.126 0.000 2.640 220 D HA 0.223 4.863 4.640 0.000 0.000 0.282 220 D C 1.068 177.328 176.300 -0.065 0.000 1.558 220 D CA 0.373 54.326 54.000 -0.078 0.000 0.820 220 D CB -0.323 40.436 40.800 -0.067 0.000 1.243 220 D HN 0.878 nan 8.370 nan 0.000 0.456 221 G N -0.264 108.493 108.800 -0.072 0.000 2.241 221 G HA2 -0.251 3.709 3.960 0.000 0.000 0.244 221 G HA3 -0.251 3.709 3.960 0.000 0.000 0.244 221 G C 0.094 174.955 174.900 -0.064 0.000 0.998 221 G CA 0.124 45.189 45.100 -0.057 0.000 0.621 221 G HN 0.456 nan 8.290 nan 0.000 0.519 222 V N 1.711 121.579 119.914 -0.076 0.000 2.408 222 V HA 0.396 4.516 4.120 0.000 0.000 0.267 222 V C 0.621 176.649 176.094 -0.110 0.000 1.047 222 V CA -0.387 61.862 62.300 -0.084 0.000 0.937 222 V CB 1.365 33.141 31.823 -0.079 0.000 0.999 222 V HN 0.347 nan 8.190 nan 0.000 0.472 223 N N 5.093 123.719 118.700 -0.122 0.000 2.819 223 N HA 0.099 4.839 4.740 0.000 0.000 0.284 223 N C 0.205 175.570 175.510 -0.242 0.000 1.196 223 N CA 0.077 53.032 53.050 -0.157 0.000 1.114 223 N CB -0.214 38.188 38.487 -0.143 0.000 1.437 223 N HN 0.520 nan 8.380 nan 0.000 0.518 224 R N 2.232 122.605 120.500 -0.212 0.000 2.316 224 R HA 0.226 4.566 4.340 0.000 0.000 0.314 224 R C 0.028 176.164 176.300 -0.274 0.000 1.069 224 R CA -0.045 55.906 56.100 -0.249 0.000 0.959 224 R CB 0.613 30.817 30.300 -0.160 0.000 0.987 224 R HN 0.224 nan 8.270 nan 0.000 0.446 225 K N 0.362 120.500 120.400 -0.436 0.000 2.378 225 K HA 0.211 4.531 4.320 0.000 0.000 0.244 225 K C 0.168 176.712 176.600 -0.094 0.000 1.039 225 K CA -0.903 55.200 56.287 -0.308 0.000 0.863 225 K CB 1.828 34.069 32.500 -0.432 0.000 1.326 225 K HN 0.475 nan 8.250 nan 0.000 0.460 226 S N 0.044 115.800 115.700 0.092 0.000 3.521 226 S HA -0.186 4.284 4.470 0.000 0.000 0.362 226 S C -0.030 174.606 174.600 0.059 0.000 1.044 226 S CA 0.267 58.584 58.200 0.194 0.000 1.091 226 S CB -1.590 61.852 63.200 0.403 0.000 0.908 226 S HN 0.526 nan 8.310 nan 0.000 0.473 227 c N 2.156 120.748 118.600 -0.014 0.000 2.637 227 c HA 0.560 5.130 4.570 0.000 0.000 0.418 227 c C 1.109 175.186 174.090 -0.021 0.000 1.319 227 c CA -0.463 55.818 56.329 -0.080 0.000 1.949 227 c CB 0.611 43.076 42.510 -0.076 0.000 2.639 227 c HN 0.655 nan 8.230 nan 0.000 0.594 228 S N 2.015 117.688 115.700 -0.045 0.000 2.501 228 S HA 0.715 5.185 4.470 0.000 0.000 0.301 228 S C -0.567 174.135 174.600 0.169 0.000 1.096 228 S CA -0.358 57.917 58.200 0.126 0.000 1.063 228 S CB 1.099 64.463 63.200 0.273 0.000 1.042 228 S HN 0.673 nan 8.310 nan 0.000 0.494 229 I N 1.856 122.581 120.570 0.258 0.000 2.740 229 I HA 0.687 4.857 4.170 0.000 0.000 0.303 229 I C -0.621 175.688 176.117 0.320 0.000 1.044 229 I CA -0.144 61.319 61.300 0.272 0.000 1.064 229 I CB 2.010 40.078 38.000 0.113 0.000 1.249 229 I HN 0.625 nan 8.210 nan 0.000 0.433 230 S N 3.400 119.267 115.700 0.279 0.000 2.546 230 S HA 0.483 4.953 4.470 0.000 0.000 0.274 230 S C -0.714 173.898 174.600 0.021 0.000 1.121 230 S CA -0.397 57.864 58.200 0.102 0.000 0.887 230 S CB 1.890 65.067 63.200 -0.038 0.000 1.094 230 S HN 0.655 nan 8.310 nan 0.000 0.474 231 T N 2.788 117.303 114.554 -0.064 0.000 2.907 231 T HA 0.569 4.919 4.350 0.000 0.000 0.298 231 T C -0.207 174.424 174.700 -0.115 0.000 1.017 231 T CA 0.075 62.085 62.100 -0.149 0.000 1.118 231 T CB 0.468 69.140 68.868 -0.327 0.000 0.948 231 T HN 1.104 nan 8.240 nan 0.000 0.531 232 V N 2.257 122.099 119.914 -0.121 0.000 3.114 232 V HA 0.697 4.817 4.120 0.000 0.000 0.308 232 V C -3.066 172.906 176.094 -0.203 0.000 1.168 232 V CA -3.116 58.999 62.300 -0.308 0.000 1.015 232 V CB 1.619 33.286 31.823 -0.260 0.000 1.050 232 V HN 0.517 nan 8.190 nan 0.000 0.433 233 P HA 0.314 nan 4.420 nan 0.000 0.260 233 P C 0.941 178.228 177.300 -0.022 0.000 1.185 233 P CA 2.127 65.143 63.100 -0.139 0.000 0.763 233 P CB 0.534 32.130 31.700 -0.173 0.000 0.776 234 G N 2.079 110.861 108.800 -0.029 0.000 2.162 234 G HA2 -0.015 3.945 3.960 0.000 0.000 0.260 234 G HA3 -0.015 3.945 3.960 0.000 0.000 0.260 234 G C 0.455 175.369 174.900 0.023 0.000 0.976 234 G CA -0.004 45.093 45.100 -0.003 0.000 0.655 234 G HN 0.973 nan 8.290 nan 0.000 0.533 235 G N -2.211 106.553 108.800 -0.060 0.000 2.441 235 G HA2 0.522 4.482 3.960 0.000 0.000 0.225 235 G HA3 0.522 4.482 3.960 0.000 0.000 0.225 235 G C -1.027 173.888 174.900 0.024 0.000 1.200 235 G CA 0.441 45.499 45.100 -0.070 0.000 0.947 235 G HN 1.245 nan 8.290 nan 0.000 0.484 236 c N -0.084 118.463 118.600 -0.089 0.000 2.797 236 c HA 0.850 5.420 4.570 0.000 0.000 0.306 236 c C -0.082 173.961 174.090 -0.079 0.000 1.207 236 c CA -0.458 55.846 56.329 -0.041 0.000 1.507 236 c CB 1.122 43.625 42.510 -0.013 0.000 2.028 236 c HN 0.854 nan 8.230 nan 0.000 0.475 237 M N 3.824 123.440 119.600 0.028 0.000 2.243 237 M HA 0.651 5.131 4.480 0.000 0.000 0.324 237 M C -1.169 175.275 176.300 0.241 0.000 1.031 237 M CA -0.291 55.073 55.300 0.106 0.000 0.949 237 M CB 1.279 33.995 32.600 0.193 0.000 1.615 237 M HN 0.920 nan 8.290 nan 0.000 0.430 238 M N 4.580 124.243 119.600 0.106 0.000 2.456 238 M HA 0.448 4.928 4.480 0.000 0.000 0.324 238 M C -2.187 174.059 176.300 -0.090 0.000 1.124 238 M CA -0.682 54.637 55.300 0.032 0.000 0.959 238 M CB 1.863 34.456 32.600 -0.010 0.000 1.692 238 M HN 0.737 nan 8.290 nan 0.000 0.444 239 Y N 4.535 124.539 120.300 -0.494 0.000 2.331 239 Y HA 0.659 5.209 4.550 -0.000 0.000 0.334 239 Y C -1.643 174.093 175.900 -0.272 0.000 0.960 239 Y CA -1.319 56.451 58.100 -0.550 0.000 1.130 239 Y CB 0.942 38.681 38.460 -1.201 0.000 1.164 239 Y HN 0.855 nan 8.280 nan 0.000 0.458 240 c N 5.832 124.299 118.600 -0.222 0.000 3.108 240 c HA 0.773 5.343 4.570 0.000 0.000 0.321 240 c C -0.740 173.271 174.090 -0.131 0.000 1.357 240 c CA -1.036 55.136 56.329 -0.262 0.000 1.562 240 c CB 1.318 43.733 42.510 -0.158 0.000 2.003 240 c HN 0.823 nan 8.230 nan 0.000 0.460 241 F N -0.865 118.944 119.950 -0.234 0.000 2.577 241 F HA 0.842 5.369 4.527 0.000 0.000 0.318 241 F C -1.010 174.732 175.800 -0.097 0.000 1.065 241 F CA -1.038 56.876 58.000 -0.145 0.000 0.929 241 F CB 0.835 39.730 39.000 -0.176 0.000 1.237 241 F HN 0.265 nan 8.300 nan 0.000 0.468 242 V N 2.880 122.692 119.914 -0.170 0.000 2.348 242 V HA 0.306 4.426 4.120 0.000 0.000 0.270 242 V C 0.175 176.096 176.094 -0.288 0.000 1.037 242 V CA -0.441 61.686 62.300 -0.289 0.000 0.872 242 V CB 0.467 32.227 31.823 -0.104 0.000 1.002 242 V HN 0.894 nan 8.190 nan 0.000 0.464 243 S N 3.623 119.003 115.700 -0.532 0.000 2.523 243 S HA 0.404 4.874 4.470 0.000 0.000 0.275 243 S C 0.959 175.511 174.600 -0.081 0.000 1.281 243 S CA 0.195 58.254 58.200 -0.235 0.000 1.050 243 S CB 0.842 63.853 63.200 -0.315 0.000 0.937 243 S HN 1.010 nan 8.310 nan 0.000 0.492 244 T N 1.057 115.619 114.554 0.013 0.000 3.192 244 T HA 0.315 4.665 4.350 0.000 0.000 0.295 244 T C -0.173 174.548 174.700 0.034 0.000 0.947 244 T CA -0.505 61.602 62.100 0.011 0.000 0.916 244 T CB -0.286 68.590 68.868 0.013 0.000 1.169 244 T HN 0.792 nan 8.240 nan 0.000 0.540 245 Q N -0.430 119.406 119.800 0.060 0.000 2.702 245 Q HA 0.537 4.877 4.340 0.000 0.000 0.289 245 Q C -3.398 172.661 176.000 0.099 0.000 0.923 245 Q CA -2.062 53.782 55.803 0.068 0.000 0.787 245 Q CB -0.000 28.776 28.738 0.064 0.000 1.476 245 Q HN -0.088 nan 8.270 nan 0.000 0.402 246 P HA -0.110 nan 4.420 nan 0.000 0.266 246 P C 0.281 177.682 177.300 0.168 0.000 1.186 246 P CA 0.425 63.607 63.100 0.137 0.000 0.767 246 P CB 0.563 32.339 31.700 0.127 0.000 0.820 247 E N 3.207 123.533 120.200 0.209 0.000 2.065 247 E HA -0.338 4.012 4.350 0.000 0.000 0.201 247 E C 1.908 178.632 176.600 0.205 0.000 1.016 247 E CA 1.452 57.975 56.400 0.205 0.000 0.818 247 E CB -0.148 29.703 29.700 0.253 0.000 0.749 247 E HN 0.283 nan 8.360 nan 0.000 0.453 248 R N 0.133 120.805 120.500 0.287 0.000 2.103 248 R HA -0.198 4.142 4.340 0.000 0.000 0.242 248 R C 1.666 178.190 176.300 0.372 0.000 1.142 248 R CA 2.129 58.450 56.100 0.369 0.000 0.960 248 R CB -0.199 30.312 30.300 0.352 0.000 0.858 248 R HN 0.291 nan 8.270 nan 0.000 0.439 249 D N 0.426 120.959 120.400 0.222 0.000 2.178 249 D HA -0.150 4.490 4.640 0.000 0.000 0.201 249 D C 1.353 177.765 176.300 0.186 0.000 0.980 249 D CA 1.082 55.192 54.000 0.182 0.000 0.842 249 D CB -0.352 40.502 40.800 0.090 0.000 0.948 249 D HN 0.265 nan 8.370 nan 0.000 0.472 250 D N -0.514 119.952 120.400 0.110 0.000 2.178 250 D HA -0.141 4.499 4.640 0.000 0.000 0.201 250 D C 1.770 178.000 176.300 -0.117 0.000 0.980 250 D CA 0.745 54.721 54.000 -0.041 0.000 0.842 250 D CB -0.149 40.542 40.800 -0.182 0.000 0.948 250 D HN 0.359 nan 8.370 nan 0.000 0.472 251 Y N -0.756 119.532 120.300 -0.020 0.000 2.337 251 Y HA -0.053 4.497 4.550 -0.000 0.000 0.293 251 Y C 2.059 177.912 175.900 -0.079 0.000 1.123 251 Y CA 0.515 58.575 58.100 -0.067 0.000 1.201 251 Y CB -0.292 38.094 38.460 -0.122 0.000 1.011 251 Y HN -0.080 nan 8.280 nan 0.000 0.545 252 F N -0.174 119.853 119.950 0.129 0.000 2.293 252 F HA -0.050 4.477 4.527 -0.000 0.000 0.297 252 F C 1.467 177.289 175.800 0.036 0.000 1.089 252 F CA 0.362 58.406 58.000 0.074 0.000 1.377 252 F CB -0.523 38.502 39.000 0.042 0.000 1.051 252 F HN -0.206 nan 8.300 nan 0.000 0.511 253 S N 0.710 116.517 115.700 0.178 0.000 2.505 253 S HA 0.429 4.899 4.470 0.000 0.000 0.276 253 S C 1.129 175.755 174.600 0.044 0.000 1.274 253 S CA -0.274 57.983 58.200 0.095 0.000 1.053 253 S CB 1.510 64.751 63.200 0.069 0.000 0.919 253 S HN 0.253 nan 8.310 nan 0.000 0.490 254 A N 3.172 126.014 122.820 0.036 0.000 2.070 254 A HA 0.368 4.688 4.320 0.000 0.000 0.220 254 A C 1.334 178.929 177.584 0.018 0.000 1.159 254 A CA 0.887 52.934 52.037 0.018 0.000 0.656 254 A CB -0.919 18.089 19.000 0.013 0.000 0.800 254 A HN 1.357 nan 8.150 nan 0.000 0.453 255 A N 0.824 123.655 122.820 0.019 0.000 2.327 255 A HA 0.588 4.908 4.320 0.000 0.000 0.283 255 A C -2.415 175.172 177.584 0.006 0.000 1.127 255 A CA -1.605 50.443 52.037 0.017 0.000 0.810 255 A CB 0.302 19.314 19.000 0.019 0.000 1.066 255 A HN 0.275 nan 8.150 nan 0.000 0.492 256 P HA 0.434 nan 4.420 nan 0.000 0.284 256 P C -2.742 174.553 177.300 -0.008 0.000 1.258 256 P CA -1.621 61.466 63.100 -0.022 0.000 0.824 256 P CB 0.366 32.062 31.700 -0.007 0.000 1.038 257 P HA 0.115 nan 4.420 nan 0.000 0.271 257 P C -0.035 177.316 177.300 0.086 0.000 1.244 257 P CA -0.055 63.095 63.100 0.084 0.000 0.793 257 P CB 0.311 32.149 31.700 0.229 0.000 0.984 258 E N 0.935 121.194 120.200 0.099 0.000 2.373 258 E HA 0.037 4.386 4.350 0.000 0.000 0.267 258 E C -0.579 176.086 176.600 0.108 0.000 1.032 258 E CA -0.385 56.057 56.400 0.070 0.000 0.889 258 E CB 0.338 30.061 29.700 0.039 0.000 0.984 258 E HN 0.231 nan 8.360 nan 0.000 0.425 259 Q N 3.215 123.070 119.800 0.092 0.000 2.309 259 Q HA 0.487 4.827 4.340 0.000 0.000 0.264 259 Q C -0.693 175.376 176.000 0.115 0.000 1.008 259 Q CA -0.478 55.417 55.803 0.154 0.000 0.853 259 Q CB 2.093 30.926 28.738 0.157 0.000 1.314 259 Q HN 0.514 nan 8.270 nan 0.000 0.448 260 R N 1.316 121.908 120.500 0.155 0.000 2.673 260 R HA 0.638 4.978 4.340 0.000 0.000 0.281 260 R C -0.613 175.756 176.300 0.116 0.000 0.991 260 R CA -0.888 55.263 56.100 0.084 0.000 0.896 260 R CB 1.819 32.136 30.300 0.027 0.000 1.201 260 R HN 0.645 nan 8.270 nan 0.000 0.457 261 I N 0.071 120.664 120.570 0.039 0.000 2.447 261 I HA 0.504 4.674 4.170 0.000 0.000 0.287 261 I C -1.232 174.886 176.117 0.002 0.000 1.023 261 I CA -0.581 60.730 61.300 0.017 0.000 1.083 261 I CB 1.366 39.354 38.000 -0.019 0.000 1.245 261 I HN 0.423 nan 8.210 nan 0.000 0.434 262 I N 7.656 128.222 120.570 -0.008 0.000 2.354 262 I HA 0.482 4.652 4.170 0.000 0.000 0.292 262 I C -0.286 175.799 176.117 -0.054 0.000 0.989 262 I CA -0.310 60.972 61.300 -0.030 0.000 1.188 262 I CB 1.470 39.446 38.000 -0.041 0.000 1.342 262 I HN 0.492 nan 8.210 nan 0.000 0.457 263 I N 6.636 127.148 120.570 -0.095 0.000 2.354 263 I HA 0.459 4.629 4.170 0.000 0.000 0.292 263 I C -0.520 175.423 176.117 -0.291 0.000 0.989 263 I CA -0.458 60.703 61.300 -0.231 0.000 1.188 263 I CB 1.196 39.014 38.000 -0.304 0.000 1.342 263 I HN 0.424 nan 8.210 nan 0.000 0.457 264 M N 6.576 125.974 119.600 -0.335 0.000 2.085 264 M HA 0.411 4.891 4.480 0.000 0.000 0.309 264 M C -1.258 174.871 176.300 -0.286 0.000 0.947 264 M CA -0.496 54.667 55.300 -0.229 0.000 0.918 264 M CB 1.272 33.797 32.600 -0.125 0.000 1.504 264 M HN 0.308 nan 8.290 nan 0.000 0.420 265 Y N 0.474 120.755 120.300 -0.031 0.000 2.301 265 Y HA 0.071 4.621 4.550 -0.000 0.000 0.325 265 Y C 0.924 176.811 175.900 -0.021 0.000 1.203 265 Y CA -0.102 57.980 58.100 -0.029 0.000 1.255 265 Y CB 0.446 38.882 38.460 -0.039 0.000 1.232 265 Y HN 0.556 nan 8.280 nan 0.000 0.501 266 Y N 2.462 122.770 120.300 0.012 0.000 2.483 266 Y HA -0.196 4.354 4.550 0.000 0.000 0.291 266 Y C 1.456 177.326 175.900 -0.050 0.000 1.143 266 Y CA 1.399 59.447 58.100 -0.087 0.000 1.289 266 Y CB -0.299 38.053 38.460 -0.180 0.000 0.983 266 Y HN 0.716 nan 8.280 nan 0.000 0.556 267 N N -0.749 117.926 118.700 -0.041 0.000 2.362 267 N HA -0.013 4.727 4.740 0.000 0.000 0.204 267 N C -0.126 175.320 175.510 -0.107 0.000 1.166 267 N CA 0.952 53.923 53.050 -0.132 0.000 0.831 267 N CB -0.512 37.928 38.487 -0.078 0.000 1.008 267 N HN 0.228 nan 8.380 nan 0.000 0.472 268 D N -2.148 118.200 120.400 -0.087 0.000 3.041 268 D HA -0.155 4.485 4.640 0.000 0.000 0.220 268 D C -1.026 175.273 176.300 -0.002 0.000 1.157 268 D CA 1.169 55.133 54.000 -0.060 0.000 0.876 268 D CB -1.516 39.225 40.800 -0.099 0.000 1.107 268 D HN 0.362 nan 8.370 nan 0.000 0.422 269 T N 0.218 114.811 114.554 0.066 0.000 2.909 269 T HA 0.647 4.997 4.350 0.000 0.000 0.289 269 T C 0.558 175.334 174.700 0.127 0.000 1.005 269 T CA -0.160 61.996 62.100 0.094 0.000 1.084 269 T CB 1.098 70.038 68.868 0.119 0.000 0.975 269 T HN 0.089 nan 8.240 nan 0.000 0.509 270 I N 2.453 123.067 120.570 0.073 0.000 2.534 270 I HA 0.438 4.608 4.170 0.000 0.000 0.288 270 I C -1.037 175.102 176.117 0.037 0.000 1.077 270 I CA -0.976 60.344 61.300 0.033 0.000 1.051 270 I CB 2.219 40.216 38.000 -0.005 0.000 1.234 270 I HN 0.247 nan 8.210 nan 0.000 0.425 271 V N 5.278 125.209 119.914 0.028 0.000 2.447 271 V HA 0.338 4.458 4.120 0.000 0.000 0.292 271 V C -0.345 175.749 176.094 -0.000 0.000 1.021 271 V CA -0.558 61.760 62.300 0.029 0.000 0.850 271 V CB 1.735 33.602 31.823 0.073 0.000 1.005 271 V HN 0.754 nan 8.190 nan 0.000 0.426 272 E N 5.117 125.314 120.200 -0.005 0.000 2.179 272 E HA 0.661 5.011 4.350 0.000 0.000 0.275 272 E C -0.891 175.706 176.600 -0.006 0.000 0.945 272 E CA -0.855 55.538 56.400 -0.012 0.000 0.792 272 E CB 1.229 30.917 29.700 -0.020 0.000 1.125 272 E HN 0.480 nan 8.360 nan 0.000 0.397 273 R N 3.807 124.304 120.500 -0.005 0.000 2.686 273 R HA 0.455 4.795 4.340 0.000 0.000 0.283 273 R C -0.635 175.664 176.300 -0.002 0.000 0.978 273 R CA -0.819 55.279 56.100 -0.004 0.000 0.897 273 R CB 1.369 31.667 30.300 -0.005 0.000 1.192 273 R HN 0.653 nan 8.270 nan 0.000 0.457 274 I N 5.016 125.585 120.570 -0.002 0.000 2.287 274 I HA 0.248 4.418 4.170 0.000 0.000 0.290 274 I C 0.998 177.114 176.117 -0.002 0.000 1.069 274 I CA -0.437 60.864 61.300 0.003 0.000 1.237 274 I CB 0.385 38.386 38.000 0.002 0.000 1.418 274 I HN 0.438 nan 8.210 nan 0.000 0.481 275 I N 4.366 124.933 120.570 -0.006 0.000 2.764 275 I HA 0.406 4.576 4.170 0.000 0.000 0.294 275 I C -0.127 175.977 176.117 -0.021 0.000 1.045 275 I CA -0.383 60.904 61.300 -0.023 0.000 1.340 275 I CB 0.840 38.808 38.000 -0.053 0.000 1.436 275 I HN 0.457 nan 8.210 nan 0.000 0.567 276 N N 4.326 123.011 118.700 -0.026 0.000 2.725 276 N HA 0.330 5.070 4.740 0.000 0.000 0.248 276 N C -2.723 172.769 175.510 -0.029 0.000 1.402 276 N CA -0.731 52.304 53.050 -0.024 0.000 0.766 276 N CB 1.444 39.924 38.487 -0.010 0.000 1.223 276 N HN 0.537 nan 8.380 nan 0.000 0.515 277 P HA 0.305 nan 4.420 nan 0.000 0.274 277 P C -2.667 174.612 177.300 -0.034 0.000 1.231 277 P CA -0.997 62.073 63.100 -0.050 0.000 0.790 277 P CB 0.297 31.942 31.700 -0.091 0.000 0.951 278 P HA 0.109 nan 4.420 nan 0.000 0.269 278 P C 0.875 178.184 177.300 0.015 0.000 1.215 278 P CA 0.959 64.061 63.100 0.003 0.000 0.780 278 P CB -0.045 31.659 31.700 0.007 0.000 0.898 279 G N 0.510 109.338 108.800 0.047 0.000 2.176 279 G HA2 -0.229 3.731 3.960 0.000 0.000 0.252 279 G HA3 -0.229 3.731 3.960 0.000 0.000 0.252 279 G C 0.553 175.557 174.900 0.174 0.000 1.024 279 G CA 0.256 45.418 45.100 0.103 0.000 0.755 279 G HN 0.400 nan 8.290 nan 0.000 0.507 280 V N -0.674 119.301 119.914 0.102 0.000 2.854 280 V HA 0.365 4.485 4.120 0.000 0.000 0.236 280 V C 1.370 177.555 176.094 0.151 0.000 1.157 280 V CA 0.758 63.120 62.300 0.104 0.000 1.187 280 V CB -0.114 31.654 31.823 -0.091 0.000 0.949 280 V HN 0.426 nan 8.190 nan 0.000 0.488 281 L N 2.104 123.373 121.223 0.078 0.000 2.513 281 L HA 0.188 4.528 4.340 0.000 0.000 0.272 281 L C 0.591 177.507 176.870 0.076 0.000 1.187 281 L CA 0.778 55.656 54.840 0.065 0.000 0.895 281 L CB -0.752 41.329 42.059 0.036 0.000 1.147 281 L HN 0.438 nan 8.230 nan 0.000 0.483 282 D N 2.237 122.678 120.400 0.069 0.000 3.077 282 D HA -0.194 4.446 4.640 0.000 0.000 0.212 282 D C 0.754 177.090 176.300 0.060 0.000 1.125 282 D CA 1.143 55.173 54.000 0.050 0.000 0.970 282 D CB -1.074 39.745 40.800 0.031 0.000 1.110 282 D HN 0.429 nan 8.370 nan 0.000 0.419 283 V N -2.196 117.791 119.914 0.122 0.000 3.058 283 V HA 0.135 4.255 4.120 0.000 0.000 0.233 283 V C 0.213 176.339 176.094 0.053 0.000 1.255 283 V CA 0.312 62.675 62.300 0.105 0.000 1.267 283 V CB 0.400 32.354 31.823 0.218 0.000 1.049 283 V HN 0.061 nan 8.190 nan 0.000 0.486 284 W N 0.105 121.403 121.300 -0.003 0.000 2.376 284 W HA 0.712 5.372 4.660 0.000 0.000 0.312 284 W C 0.978 177.459 176.519 -0.064 0.000 1.060 284 W CA 0.001 57.332 57.345 -0.024 0.000 1.221 284 W CB 1.280 30.713 29.460 -0.046 0.000 1.281 284 W HN 0.087 nan 8.180 nan 0.000 0.456 285 A N 2.311 125.184 122.820 0.089 0.000 2.014 285 A HA 0.123 4.443 4.320 0.000 0.000 0.218 285 A C 0.654 178.179 177.584 -0.100 0.000 1.163 285 A CA 1.248 53.281 52.037 -0.006 0.000 0.652 285 A CB -0.258 18.724 19.000 -0.029 0.000 0.808 285 A HN 0.474 nan 8.150 nan 0.000 0.449 286 T N -1.885 112.586 114.554 -0.138 0.000 2.853 286 T HA 0.564 4.914 4.350 0.000 0.000 0.311 286 T C -1.496 173.090 174.700 -0.190 0.000 1.307 286 T CA -0.483 61.422 62.100 -0.326 0.000 1.019 286 T CB 1.668 70.057 68.868 -0.798 0.000 1.264 286 T HN 0.407 nan 8.240 nan 0.000 0.497 287 L N 1.887 122.895 121.223 -0.359 0.000 2.526 287 L HA 0.771 5.111 4.340 0.000 0.000 0.263 287 L C -1.992 174.545 176.870 -0.555 0.000 0.943 287 L CA -0.347 54.275 54.840 -0.363 0.000 0.859 287 L CB 2.093 43.953 42.059 -0.332 0.000 1.313 287 L HN 0.667 nan 8.230 nan 0.000 0.406 288 N N 4.142 122.499 118.700 -0.571 0.000 2.242 288 N HA 0.700 5.440 4.740 0.000 0.000 0.292 288 N C -2.879 172.503 175.510 -0.214 0.000 1.125 288 N CA -1.647 51.052 53.050 -0.585 0.000 0.783 288 N CB 2.640 40.654 38.487 -0.788 0.000 1.558 288 N HN 0.295 nan 8.380 nan 0.000 0.472 289 P HA 0.226 nan 4.420 nan 0.000 0.276 289 P C 0.597 178.046 177.300 0.249 0.000 1.244 289 P CA -0.294 62.732 63.100 -0.123 0.000 0.801 289 P CB 0.712 32.069 31.700 -0.572 0.000 1.006 290 G N 0.095 109.115 108.800 0.367 0.000 2.744 290 G HA2 -0.061 3.899 3.960 0.000 0.000 0.211 290 G HA3 -0.061 3.899 3.960 0.000 0.000 0.211 290 G C 0.735 175.829 174.900 0.325 0.000 1.143 290 G CA 1.094 46.433 45.100 0.398 0.000 0.788 290 G HN 0.716 nan 8.290 nan 0.000 0.534 291 T N -4.330 110.383 114.554 0.265 0.000 9.545 291 T HA -0.205 4.145 4.350 0.000 0.000 0.344 291 T C 1.306 176.167 174.700 0.269 0.000 1.908 291 T CA 1.571 63.797 62.100 0.210 0.000 3.011 291 T CB -1.876 67.102 68.868 0.182 0.000 2.298 291 T HN 1.478 nan 8.240 nan 0.000 0.992 292 G N 1.737 110.751 108.800 0.357 0.000 2.539 292 G HA2 0.498 4.458 3.960 0.000 0.000 0.258 292 G HA3 0.498 4.458 3.960 0.000 0.000 0.258 292 G C 0.233 175.351 174.900 0.362 0.000 1.202 292 G CA 0.160 45.520 45.100 0.433 0.000 0.851 292 G HN 1.646 nan 8.290 nan 0.000 0.556 293 S N 0.007 115.890 115.700 0.305 0.000 2.563 293 S HA 0.452 4.922 4.470 0.000 0.000 0.284 293 S C 0.836 175.562 174.600 0.210 0.000 1.331 293 S CA 0.048 58.386 58.200 0.231 0.000 1.047 293 S CB 1.043 64.327 63.200 0.140 0.000 0.859 293 S HN 1.049 nan 8.310 nan 0.000 0.514 294 G N 0.370 109.299 108.800 0.215 0.000 2.568 294 G HA2 0.679 4.639 3.960 0.000 0.000 0.293 294 G HA3 0.679 4.639 3.960 0.000 0.000 0.293 294 G C -0.348 174.509 174.900 -0.071 0.000 1.347 294 G CA -0.404 44.704 45.100 0.014 0.000 1.039 294 G HN 1.777 nan 8.290 nan 0.000 0.523 295 V N -3.387 116.447 119.914 -0.133 0.000 3.049 295 V HA 0.641 4.761 4.120 0.000 0.000 0.309 295 V C -1.519 174.607 176.094 0.055 0.000 1.148 295 V CA -1.369 60.924 62.300 -0.012 0.000 0.990 295 V CB 1.615 33.459 31.823 0.034 0.000 1.039 295 V HN 0.759 nan 8.190 nan 0.000 0.430 296 Y N 4.127 124.429 120.300 0.002 0.000 2.404 296 Y HA 0.711 5.261 4.550 0.000 0.000 0.344 296 Y C -1.205 174.800 175.900 0.174 0.000 0.970 296 Y CA -1.140 56.994 58.100 0.056 0.000 1.180 296 Y CB 1.007 39.481 38.460 0.024 0.000 1.138 296 Y HN 0.838 nan 8.280 nan 0.000 0.510 297 Y N 6.536 126.664 120.300 -0.287 0.000 2.361 297 Y HA 0.393 4.943 4.550 -0.000 0.000 0.337 297 Y C -0.072 175.686 175.900 -0.236 0.000 0.965 297 Y CA -1.648 56.325 58.100 -0.212 0.000 1.091 297 Y CB 0.902 39.346 38.460 -0.028 0.000 1.182 297 Y HN 0.658 nan 8.280 nan 0.000 0.450 298 L N 6.675 127.474 121.223 -0.707 0.000 3.941 298 L HA -0.366 3.974 4.340 0.000 0.000 0.455 298 L C 1.156 177.891 176.870 -0.224 0.000 1.179 298 L CA 1.367 55.872 54.840 -0.558 0.000 0.782 298 L CB -1.586 39.996 42.059 -0.794 0.000 1.679 298 L HN 1.198 nan 8.230 nan 0.000 0.871 299 G N -2.831 105.719 108.800 -0.417 0.000 2.199 299 G HA2 -0.295 3.665 3.960 0.000 0.000 0.254 299 G HA3 -0.295 3.665 3.960 0.000 0.000 0.254 299 G C -0.237 174.647 174.900 -0.027 0.000 0.982 299 G CA 0.206 45.222 45.100 -0.140 0.000 0.632 299 G HN 0.383 nan 8.290 nan 0.000 0.529 300 W N -0.582 120.634 121.300 -0.140 0.000 2.719 300 W HA 0.696 5.356 4.660 0.000 0.000 0.352 300 W C -0.064 176.485 176.519 0.050 0.000 1.085 300 W CA -0.973 56.394 57.345 0.036 0.000 1.187 300 W CB 1.719 31.230 29.460 0.086 0.000 1.417 300 W HN 0.155 nan 8.180 nan 0.000 0.557 301 V N 3.994 124.084 119.914 0.294 0.000 2.370 301 V HA 0.410 4.530 4.120 0.000 0.000 0.283 301 V C -0.155 175.885 176.094 -0.090 0.000 1.023 301 V CA -0.940 61.398 62.300 0.063 0.000 0.857 301 V CB 0.534 32.337 31.823 -0.033 0.000 0.985 301 V HN 0.313 nan 8.190 nan 0.000 0.443 302 L N 5.350 126.457 121.223 -0.193 0.000 2.295 302 L HA 0.653 4.993 4.340 0.000 0.000 0.285 302 L C -0.938 175.748 176.870 -0.306 0.000 1.035 302 L CA -0.213 54.534 54.840 -0.156 0.000 0.806 302 L CB 1.281 43.300 42.059 -0.066 0.000 1.214 302 L HN 0.425 nan 8.230 nan 0.000 0.426 303 F N 2.843 122.857 119.950 0.108 0.000 2.551 303 F HA 0.532 5.059 4.527 -0.000 0.000 0.316 303 F C -2.168 173.755 175.800 0.205 0.000 1.089 303 F CA -2.382 55.734 58.000 0.193 0.000 0.915 303 F CB 1.993 41.166 39.000 0.289 0.000 1.186 303 F HN 0.252 nan 8.300 nan 0.000 0.456 304 P HA 0.415 nan 4.420 nan 0.000 0.279 304 P C -0.958 176.605 177.300 0.438 0.000 1.239 304 P CA -0.017 63.350 63.100 0.444 0.000 0.789 304 P CB 1.554 33.595 31.700 0.569 0.000 0.933 305 I N 0.893 121.685 120.570 0.369 0.000 3.174 305 I HA 0.807 4.977 4.170 0.000 0.000 0.313 305 I C -1.314 175.080 176.117 0.462 0.000 1.155 305 I CA -1.491 60.016 61.300 0.346 0.000 0.977 305 I CB 2.414 40.502 38.000 0.147 0.000 1.248 305 I HN 0.387 nan 8.210 nan 0.000 0.453 306 Y N 0.934 121.346 120.300 0.186 0.000 2.713 306 Y HA 0.948 5.498 4.550 -0.000 0.000 0.335 306 Y C -0.523 175.568 175.900 0.319 0.000 1.222 306 Y CA -0.423 57.861 58.100 0.306 0.000 1.061 306 Y CB 0.876 39.502 38.460 0.277 0.000 1.314 306 Y HN 1.157 nan 8.280 nan 0.000 0.453 307 G N -0.597 108.417 108.800 0.356 0.000 2.336 307 G HA2 0.514 4.474 3.960 0.000 0.000 0.286 307 G HA3 0.514 4.474 3.960 0.000 0.000 0.286 307 G C -1.409 173.710 174.900 0.365 0.000 1.269 307 G CA -0.258 44.958 45.100 0.194 0.000 0.873 307 G HN 1.435 nan 8.290 nan 0.000 0.494 308 G N -0.915 108.025 108.800 0.234 0.000 2.470 308 G HA2 0.663 4.623 3.960 0.000 0.000 0.320 308 G HA3 0.663 4.623 3.960 0.000 0.000 0.320 308 G C -0.874 174.026 174.900 -0.001 0.000 1.245 308 G CA -0.362 44.884 45.100 0.242 0.000 0.935 308 G HN 0.998 nan 8.290 nan 0.000 0.476 309 V N 3.384 123.229 119.914 -0.115 0.000 2.532 309 V HA 0.356 4.476 4.120 0.000 0.000 0.295 309 V C 0.474 176.613 176.094 0.074 0.000 1.041 309 V CA -0.657 61.508 62.300 -0.225 0.000 0.926 309 V CB 1.565 33.138 31.823 -0.417 0.000 0.992 309 V HN 0.620 nan 8.190 nan 0.000 0.457 310 I N 3.822 124.391 120.570 -0.002 0.000 2.588 310 I HA 0.177 4.347 4.170 0.000 0.000 0.283 310 I C 0.788 176.791 176.117 -0.189 0.000 1.119 310 I CA -0.004 61.267 61.300 -0.049 0.000 1.419 310 I CB 0.382 38.336 38.000 -0.077 0.000 1.394 310 I HN 0.606 nan 8.210 nan 0.000 0.562 311 K N 4.906 124.942 120.400 -0.607 0.000 2.448 311 K HA 0.143 4.463 4.320 0.000 0.000 0.278 311 K C 0.943 176.991 176.600 -0.921 0.000 1.009 311 K CA 0.958 56.274 56.287 -1.618 0.000 0.995 311 K CB 0.309 31.923 32.500 -1.476 0.000 0.917 311 K HN 0.948 nan 8.250 nan 0.000 0.481 312 G N 2.309 110.526 108.800 -0.971 0.000 2.194 312 G HA2 -0.274 3.686 3.960 0.000 0.000 0.236 312 G HA3 -0.274 3.686 3.960 0.000 0.000 0.236 312 G C 0.179 174.985 174.900 -0.156 0.000 0.987 312 G CA 0.329 45.193 45.100 -0.394 0.000 0.635 312 G HN 0.871 nan 8.290 nan 0.000 0.520 313 T N -1.147 113.351 114.554 -0.092 0.000 2.849 313 T HA 0.653 5.003 4.350 0.000 0.000 0.284 313 T C 1.599 176.352 174.700 0.088 0.000 1.004 313 T CA 0.766 62.873 62.100 0.012 0.000 1.021 313 T CB 1.585 70.465 68.868 0.019 0.000 1.013 313 T HN 0.307 nan 8.240 nan 0.000 0.527 314 S N 0.450 116.188 115.700 0.064 0.000 2.359 314 S HA -0.113 4.357 4.470 0.000 0.000 0.224 314 S C 1.856 176.507 174.600 0.084 0.000 1.035 314 S CA 1.121 59.362 58.200 0.069 0.000 1.018 314 S CB -0.701 62.526 63.200 0.045 0.000 0.876 314 S HN 0.632 nan 8.310 nan 0.000 0.448 315 L N 2.077 123.342 121.223 0.070 0.000 1.989 315 L HA -0.103 4.237 4.340 0.000 0.000 0.211 315 L C 2.087 179.005 176.870 0.079 0.000 1.071 315 L CA 1.858 56.721 54.840 0.038 0.000 0.749 315 L CB -1.122 40.919 42.059 -0.029 0.000 0.890 315 L HN 0.571 nan 8.230 nan 0.000 0.431 316 W N 0.827 122.086 121.300 -0.068 0.000 2.318 316 W HA -0.304 4.356 4.660 -0.000 0.000 0.313 316 W C 2.241 178.770 176.519 0.016 0.000 1.221 316 W CA 2.170 59.506 57.345 -0.016 0.000 1.266 316 W CB -0.674 28.789 29.460 0.005 0.000 1.150 316 W HN 0.374 nan 8.180 nan 0.000 0.496 317 N N 0.644 119.569 118.700 0.375 0.000 2.120 317 N HA -0.187 4.553 4.740 0.000 0.000 0.188 317 N C 1.233 176.793 175.510 0.083 0.000 1.024 317 N CA 1.683 54.877 53.050 0.240 0.000 0.852 317 N CB -1.094 37.502 38.487 0.182 0.000 1.003 317 N HN 0.261 nan 8.380 nan 0.000 0.424 318 N N 0.862 119.592 118.700 0.050 0.000 2.381 318 N HA -0.112 4.628 4.740 0.000 0.000 0.182 318 N C 1.442 176.926 175.510 -0.042 0.000 1.025 318 N CA 0.643 53.695 53.050 0.002 0.000 0.888 318 N CB -0.057 38.429 38.487 -0.002 0.000 0.965 318 N HN 0.291 nan 8.380 nan 0.000 0.438 319 Q N 0.586 120.341 119.800 -0.076 0.000 2.408 319 Q HA 0.295 4.635 4.340 0.000 0.000 0.205 319 Q C -0.135 175.759 176.000 -0.177 0.000 0.919 319 Q CA -0.174 55.537 55.803 -0.155 0.000 0.932 319 Q CB 0.077 28.689 28.738 -0.209 0.000 1.058 319 Q HN 0.262 nan 8.270 nan 0.000 0.517 320 A N 1.312 124.054 122.820 -0.129 0.000 2.567 320 A HA -0.019 4.301 4.320 0.000 0.000 0.240 320 A C 0.471 178.031 177.584 -0.041 0.000 1.053 320 A CA 0.785 52.767 52.037 -0.091 0.000 0.755 320 A CB -0.362 18.629 19.000 -0.016 0.000 0.978 320 A HN 0.665 nan 8.150 nan 0.000 0.507 321 N N -0.470 118.226 118.700 -0.007 0.000 2.909 321 N HA -0.146 4.594 4.740 0.000 0.000 0.242 321 N C -0.286 175.269 175.510 0.076 0.000 0.975 321 N CA 1.511 54.590 53.050 0.047 0.000 0.921 321 N CB -0.645 37.869 38.487 0.044 0.000 1.112 321 N HN 0.833 nan 8.380 nan 0.000 0.581 322 K N 0.217 120.592 120.400 -0.042 0.000 2.098 322 K HA 0.425 4.745 4.320 0.000 0.000 0.261 322 K C -0.388 176.128 176.600 -0.140 0.000 0.987 322 K CA -0.212 56.001 56.287 -0.123 0.000 0.916 322 K CB 0.972 33.337 32.500 -0.225 0.000 1.039 322 K HN 0.252 nan 8.250 nan 0.000 0.455 323 Y N -0.985 119.243 120.300 -0.121 0.000 2.677 323 Y HA 0.608 5.158 4.550 -0.000 0.000 0.334 323 Y C -1.910 174.152 175.900 0.269 0.000 1.196 323 Y CA -1.614 56.516 58.100 0.049 0.000 1.059 323 Y CB 0.930 39.486 38.460 0.159 0.000 1.315 323 Y HN 0.451 nan 8.280 nan 0.000 0.455 324 F N 3.113 123.270 119.950 0.346 0.000 2.561 324 F HA 0.792 5.319 4.527 -0.000 0.000 0.313 324 F C -1.867 174.153 175.800 0.366 0.000 1.126 324 F CA -1.841 56.278 58.000 0.199 0.000 0.918 324 F CB 1.454 40.560 39.000 0.177 0.000 1.199 324 F HN 0.550 nan 8.300 nan 0.000 0.444 325 I N 7.312 127.551 120.570 -0.550 0.000 2.410 325 I HA 0.324 4.494 4.170 0.000 0.000 0.286 325 I C -2.378 173.224 176.117 -0.857 0.000 1.009 325 I CA -2.029 59.033 61.300 -0.395 0.000 1.111 325 I CB 1.842 39.807 38.000 -0.058 0.000 1.262 325 I HN 0.419 nan 8.210 nan 0.000 0.443 326 P HA -0.023 nan 4.420 nan 0.000 0.264 326 P C 0.564 177.588 177.300 -0.460 0.000 1.183 326 P CA 0.122 62.785 63.100 -0.728 0.000 0.763 326 P CB 0.610 31.751 31.700 -0.932 0.000 0.807 327 Q N 2.457 122.103 119.800 -0.256 0.000 2.268 327 Q HA -0.197 4.143 4.340 0.000 0.000 0.210 327 Q C 0.979 176.910 176.000 -0.113 0.000 0.988 327 Q CA 1.585 57.309 55.803 -0.131 0.000 0.883 327 Q CB -0.158 28.558 28.738 -0.035 0.000 0.911 327 Q HN 0.517 nan 8.270 nan 0.000 0.430 328 M N -0.888 118.634 119.600 -0.129 0.000 2.475 328 M HA 0.034 4.514 4.480 0.000 0.000 0.261 328 M C 1.031 177.276 176.300 -0.091 0.000 1.177 328 M CA -0.294 54.978 55.300 -0.047 0.000 0.979 328 M CB 0.924 33.569 32.600 0.076 0.000 1.482 328 M HN 0.017 nan 8.290 nan 0.000 0.484 329 V N 0.084 119.835 119.914 -0.273 0.000 2.346 329 V HA -0.145 3.975 4.120 0.000 0.000 0.244 329 V C 2.562 178.604 176.094 -0.087 0.000 1.037 329 V CA 1.982 64.119 62.300 -0.272 0.000 1.029 329 V CB -0.802 30.813 31.823 -0.348 0.000 0.663 329 V HN 0.559 nan 8.190 nan 0.000 0.454 330 A N 0.623 123.389 122.820 -0.090 0.000 1.869 330 A HA -0.303 4.017 4.320 0.000 0.000 0.218 330 A C 2.414 179.986 177.584 -0.019 0.000 1.203 330 A CA 2.814 54.819 52.037 -0.053 0.000 0.638 330 A CB -1.133 17.837 19.000 -0.050 0.000 0.831 330 A HN 0.639 nan 8.150 nan 0.000 0.450 331 A N -1.191 121.626 122.820 -0.005 0.000 2.024 331 A HA 0.039 4.359 4.320 0.000 0.000 0.220 331 A C 2.021 179.627 177.584 0.036 0.000 1.164 331 A CA 1.609 53.655 52.037 0.014 0.000 0.643 331 A CB -0.441 18.571 19.000 0.021 0.000 0.806 331 A HN 0.515 nan 8.150 nan 0.000 0.451 332 L N -1.948 119.312 121.223 0.061 0.000 2.556 332 L HA 0.147 4.487 4.340 0.000 0.000 0.226 332 L C 0.926 177.851 176.870 0.092 0.000 1.089 332 L CA -0.412 54.488 54.840 0.100 0.000 0.864 332 L CB 0.197 42.370 42.059 0.191 0.000 1.067 332 L HN 0.416 nan 8.230 nan 0.000 0.477 333 C N 0.101 119.436 119.300 0.058 0.000 2.401 333 C HA 0.301 4.761 4.460 0.000 0.000 0.365 333 C C 2.016 177.008 174.990 0.002 0.000 1.250 333 C CA -0.113 58.925 59.018 0.033 0.000 2.131 333 C CB 1.146 28.880 27.740 -0.010 0.000 2.445 333 C HN 0.498 nan 8.230 nan 0.000 0.550 334 S N 3.352 119.050 115.700 -0.003 0.000 2.524 334 S HA 0.086 4.556 4.470 0.000 0.000 0.216 334 S C 0.454 175.035 174.600 -0.031 0.000 0.987 334 S CA 0.041 58.233 58.200 -0.012 0.000 0.909 334 S CB -0.177 63.020 63.200 -0.005 0.000 0.781 334 S HN 0.905 nan 8.310 nan 0.000 0.521 335 Q N 2.327 122.097 119.800 -0.050 0.000 2.382 335 Q HA 0.310 4.650 4.340 0.000 0.000 0.229 335 Q C -0.306 175.652 176.000 -0.071 0.000 1.006 335 Q CA -0.548 55.214 55.803 -0.068 0.000 0.916 335 Q CB 0.283 28.960 28.738 -0.102 0.000 1.235 335 Q HN 0.642 nan 8.270 nan 0.000 0.512 336 N N -0.027 118.631 118.700 -0.070 0.000 2.463 336 N HA -0.039 4.701 4.740 0.000 0.000 0.270 336 N C 0.409 175.868 175.510 -0.085 0.000 1.205 336 N CA -0.356 52.655 53.050 -0.065 0.000 0.974 336 N CB 0.654 39.109 38.487 -0.052 0.000 1.197 336 N HN 0.437 nan 8.380 nan 0.000 0.504 337 Q N 0.806 120.562 119.800 -0.074 0.000 2.173 337 Q HA -0.169 4.171 4.340 0.000 0.000 0.208 337 Q C 1.695 177.632 176.000 -0.105 0.000 0.989 337 Q CA 2.572 58.326 55.803 -0.082 0.000 0.872 337 Q CB -0.847 27.859 28.738 -0.053 0.000 0.909 337 Q HN 0.826 nan 8.270 nan 0.000 0.420 338 A N -1.506 121.259 122.820 -0.091 0.000 1.897 338 A HA -0.112 4.208 4.320 0.000 0.000 0.215 338 A C 2.271 179.778 177.584 -0.128 0.000 1.181 338 A CA 1.746 53.722 52.037 -0.101 0.000 0.620 338 A CB -0.743 18.214 19.000 -0.071 0.000 0.821 338 A HN 0.434 nan 8.150 nan 0.000 0.443 339 T N 0.085 114.568 114.554 -0.118 0.000 2.777 339 T HA -0.148 4.202 4.350 0.000 0.000 0.266 339 T C 2.079 176.670 174.700 -0.180 0.000 1.040 339 T CA 1.676 63.700 62.100 -0.127 0.000 1.141 339 T CB -0.231 68.574 68.868 -0.105 0.000 0.868 339 T HN 0.594 nan 8.240 nan 0.000 0.444 340 Q N 0.258 119.935 119.800 -0.206 0.000 2.050 340 Q HA -0.074 4.266 4.340 0.000 0.000 0.202 340 Q C 2.567 178.362 176.000 -0.341 0.000 0.980 340 Q CA 1.187 56.817 55.803 -0.288 0.000 0.840 340 Q CB -0.407 28.173 28.738 -0.263 0.000 0.898 340 Q HN 0.327 nan 8.270 nan 0.000 0.424 341 V N 1.160 120.864 119.914 -0.350 0.000 2.332 341 V HA -0.324 3.796 4.120 0.000 0.000 0.248 341 V C 2.357 178.163 176.094 -0.479 0.000 1.055 341 V CA 2.232 64.179 62.300 -0.587 0.000 1.038 341 V CB -0.664 30.838 31.823 -0.536 0.000 0.651 341 V HN 0.445 nan 8.190 nan 0.000 0.450 342 Q N -0.007 119.624 119.800 -0.281 0.000 2.084 342 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 342 Q C 2.144 178.068 176.000 -0.126 0.000 0.978 342 Q CA 1.887 57.586 55.803 -0.173 0.000 0.844 342 Q CB -0.114 28.552 28.738 -0.120 0.000 0.898 342 Q HN 0.652 nan 8.270 nan 0.000 0.426 343 N N 0.469 119.071 118.700 -0.164 0.000 2.142 343 N HA -0.117 4.623 4.740 0.000 0.000 0.186 343 N C 1.679 177.123 175.510 -0.110 0.000 1.023 343 N CA 1.300 54.267 53.050 -0.139 0.000 0.852 343 N CB -0.381 37.971 38.487 -0.225 0.000 0.998 343 N HN 0.360 nan 8.380 nan 0.000 0.424 344 A N 1.786 124.496 122.820 -0.183 0.000 1.902 344 A HA -0.146 4.174 4.320 0.000 0.000 0.217 344 A C 2.152 179.943 177.584 0.345 0.000 1.181 344 A CA 1.328 53.391 52.037 0.044 0.000 0.623 344 A CB -0.362 18.686 19.000 0.079 0.000 0.818 344 A HN 0.247 nan 8.150 nan 0.000 0.443 345 K N 0.302 120.816 120.400 0.190 0.000 2.063 345 K HA -0.139 4.181 4.320 0.000 0.000 0.208 345 K C 2.335 179.199 176.600 0.440 0.000 1.048 345 K CA 1.700 58.168 56.287 0.302 0.000 0.928 345 K CB -0.247 32.330 32.500 0.129 0.000 0.713 345 K HN 0.676 nan 8.250 nan 0.000 0.442 346 S N 0.705 116.600 115.700 0.325 0.000 2.453 346 S HA -0.088 4.382 4.470 0.000 0.000 0.231 346 S C 1.928 176.829 174.600 0.502 0.000 1.005 346 S CA 1.151 59.584 58.200 0.389 0.000 0.949 346 S CB -0.247 63.078 63.200 0.207 0.000 0.774 346 S HN 0.282 nan 8.310 nan 0.000 0.510 347 S N 0.147 116.104 115.700 0.429 0.000 2.547 347 S HA -0.004 4.466 4.470 0.000 0.000 0.235 347 S C 1.011 175.731 174.600 0.201 0.000 0.980 347 S CA 0.199 58.615 58.200 0.359 0.000 0.941 347 S CB -0.889 62.450 63.200 0.231 0.000 0.763 347 S HN 0.647 nan 8.310 nan 0.000 0.532 348 Y N 0.355 120.748 120.300 0.154 0.000 2.466 348 Y HA 0.397 4.947 4.550 0.000 0.000 0.272 348 Y C -0.180 175.516 175.900 -0.340 0.000 1.169 348 Y CA -0.915 57.098 58.100 -0.144 0.000 1.285 348 Y CB -0.264 37.955 38.460 -0.402 0.000 1.078 348 Y HN 0.270 nan 8.280 nan 0.000 0.523 349 Y N -0.960 119.545 120.300 0.341 0.000 2.376 349 Y HA 0.482 5.032 4.550 0.000 0.000 0.340 349 Y C 0.031 175.989 175.900 0.098 0.000 0.965 349 Y CA -1.385 56.835 58.100 0.200 0.000 1.078 349 Y CB 1.946 40.461 38.460 0.092 0.000 1.193 349 Y HN -0.298 nan 8.280 nan 0.000 0.452 350 S N 1.131 116.968 115.700 0.229 0.000 2.530 350 S HA 0.280 4.750 4.470 0.000 0.000 0.322 350 S C 0.755 175.352 174.600 -0.006 0.000 1.085 350 S CA -0.212 57.975 58.200 -0.022 0.000 1.096 350 S CB 0.651 64.040 63.200 0.316 0.000 0.988 350 S HN 0.785 nan 8.310 nan 0.000 0.466 351 S N 5.264 120.885 115.700 -0.130 0.000 2.436 351 S HA -0.045 4.425 4.470 0.000 0.000 0.228 351 S C 1.555 176.234 174.600 0.131 0.000 1.014 351 S CA -0.145 58.058 58.200 0.005 0.000 0.950 351 S CB -0.523 62.667 63.200 -0.017 0.000 0.784 351 S HN 0.917 nan 8.310 nan 0.000 0.504 352 W N 1.404 122.665 121.300 -0.065 0.000 2.436 352 W HA 0.142 4.802 4.660 -0.000 0.000 0.284 352 W C -0.636 175.994 176.519 0.186 0.000 1.225 352 W CA 0.292 57.643 57.345 0.010 0.000 1.271 352 W CB 0.011 29.369 29.460 -0.170 0.000 1.114 352 W HN 0.209 nan 8.180 nan 0.000 0.559 353 F N 1.725 121.723 119.950 0.079 0.000 2.508 353 F HA 0.364 4.891 4.527 -0.000 0.000 0.329 353 F C 1.360 176.973 175.800 -0.312 0.000 1.198 353 F CA -0.509 57.402 58.000 -0.148 0.000 1.268 353 F CB -0.232 38.486 39.000 -0.471 0.000 1.584 353 F HN 0.108 nan 8.300 nan 0.000 0.570 354 G N 1.902 110.235 108.800 -0.777 0.000 2.269 354 G HA2 -0.419 3.541 3.960 0.000 0.000 0.277 354 G HA3 -0.419 3.541 3.960 0.000 0.000 0.277 354 G C 0.625 175.250 174.900 -0.459 0.000 1.008 354 G CA 0.548 44.783 45.100 -1.442 0.000 0.774 354 G HN 0.733 nan 8.290 nan 0.000 0.511 355 N N -1.612 116.999 118.700 -0.148 0.000 2.727 355 N HA -0.178 4.562 4.740 0.000 0.000 0.251 355 N C 0.526 176.146 175.510 0.183 0.000 1.040 355 N CA 1.223 54.300 53.050 0.045 0.000 0.712 355 N CB -0.103 38.388 38.487 0.007 0.000 0.912 355 N HN 0.630 nan 8.380 nan 0.000 0.545 356 R N 0.420 121.068 120.500 0.247 0.000 2.787 356 R HA 0.454 4.794 4.340 0.000 0.000 0.271 356 R C 0.253 176.794 176.300 0.403 0.000 0.993 356 R CA -0.817 55.494 56.100 0.352 0.000 0.993 356 R CB 0.810 31.287 30.300 0.294 0.000 1.155 356 R HN 0.293 nan 8.270 nan 0.000 0.486 357 M N 3.012 122.826 119.600 0.356 0.000 2.108 357 M HA 0.223 4.703 4.480 0.000 0.000 0.347 357 M C -0.557 175.775 176.300 0.054 0.000 1.326 357 M CA -0.496 54.807 55.300 0.004 0.000 1.126 357 M CB 0.351 32.819 32.600 -0.220 0.000 1.606 357 M HN 0.284 nan 8.290 nan 0.000 0.462 358 I N 4.843 125.489 120.570 0.128 0.000 2.494 358 I HA 0.108 4.278 4.170 0.000 0.000 0.289 358 I C 0.035 176.266 176.117 0.190 0.000 1.106 358 I CA 0.295 61.736 61.300 0.234 0.000 1.369 358 I CB -0.265 37.909 38.000 0.290 0.000 1.410 358 I HN 0.704 nan 8.210 nan 0.000 0.523 359 Q N 4.595 124.512 119.800 0.195 0.000 2.309 359 Q HA 0.484 4.824 4.340 0.000 0.000 0.264 359 Q C -0.813 175.438 176.000 0.418 0.000 1.008 359 Q CA -0.262 55.663 55.803 0.202 0.000 0.853 359 Q CB 1.876 30.563 28.738 -0.084 0.000 1.314 359 Q HN 0.638 nan 8.270 nan 0.000 0.448 360 S N 1.067 116.997 115.700 0.383 0.000 2.593 360 S HA 0.986 5.456 4.470 0.000 0.000 0.297 360 S C -0.648 174.235 174.600 0.471 0.000 1.112 360 S CA 0.150 58.615 58.200 0.441 0.000 1.043 360 S CB 1.329 64.730 63.200 0.335 0.000 1.054 360 S HN 0.820 nan 8.310 nan 0.000 0.516 361 G N 1.104 110.135 108.800 0.384 0.000 2.489 361 G HA2 0.571 4.531 3.960 0.000 0.000 0.305 361 G HA3 0.571 4.531 3.960 0.000 0.000 0.305 361 G C -2.004 172.833 174.900 -0.105 0.000 1.311 361 G CA -0.612 44.524 45.100 0.061 0.000 0.813 361 G HN 0.637 nan 8.290 nan 0.000 0.480 362 I N 0.113 120.512 120.570 -0.286 0.000 2.545 362 I HA 0.459 4.629 4.170 0.000 0.000 0.292 362 I C -1.203 174.833 176.117 -0.135 0.000 1.040 362 I CA -0.838 60.345 61.300 -0.195 0.000 1.068 362 I CB 2.317 40.112 38.000 -0.342 0.000 1.251 362 I HN 0.390 nan 8.210 nan 0.000 0.424 363 L N 6.371 127.587 121.223 -0.013 0.000 2.287 363 L HA 0.757 5.097 4.340 0.000 0.000 0.287 363 L C -0.337 176.549 176.870 0.026 0.000 1.022 363 L CA -0.060 54.760 54.840 -0.034 0.000 0.814 363 L CB 1.288 43.312 42.059 -0.059 0.000 1.217 363 L HN 0.658 nan 8.230 nan 0.000 0.420 364 A N 5.047 127.867 122.820 0.001 0.000 2.273 364 A HA 0.660 4.980 4.320 0.000 0.000 0.315 364 A C -0.809 176.986 177.584 0.352 0.000 1.256 364 A CA -0.444 51.662 52.037 0.115 0.000 0.851 364 A CB 0.384 19.324 19.000 -0.100 0.000 1.172 364 A HN 0.757 nan 8.150 nan 0.000 0.508 365 c N 4.973 123.797 118.600 0.372 0.000 2.379 365 c HA 0.681 5.251 4.570 0.000 0.000 0.323 365 c C -2.252 171.890 174.090 0.086 0.000 1.262 365 c CA -1.101 55.381 56.329 0.255 0.000 1.581 365 c CB 1.536 44.132 42.510 0.144 0.000 2.221 365 c HN 0.732 nan 8.230 nan 0.000 0.497 366 P HA 0.101 nan 4.420 nan 0.000 0.275 366 P C -0.634 176.468 177.300 -0.329 0.000 1.227 366 P CA -0.300 62.262 63.100 -0.898 0.000 0.781 366 P CB 0.812 31.802 31.700 -1.183 0.000 0.906 367 L N 4.847 125.944 121.223 -0.210 0.000 2.536 367 L HA 0.129 4.469 4.340 0.000 0.000 0.282 367 L C 0.337 177.173 176.870 -0.057 0.000 1.174 367 L CA 0.742 55.556 54.840 -0.043 0.000 0.989 367 L CB -1.296 40.803 42.059 0.066 0.000 1.311 367 L HN 0.343 nan 8.230 nan 0.000 0.455 368 R N 2.562 123.035 120.500 -0.045 0.000 2.836 368 R HA 0.376 4.716 4.340 0.000 0.000 0.269 368 R C 0.150 176.460 176.300 0.016 0.000 1.010 368 R CA -0.643 55.439 56.100 -0.029 0.000 0.930 368 R CB 1.386 31.645 30.300 -0.069 0.000 1.218 368 R HN 0.446 nan 8.270 nan 0.000 0.473 369 Q N 0.531 120.348 119.800 0.029 0.000 2.319 369 Q HA 0.006 4.346 4.340 0.000 0.000 0.202 369 Q C -0.307 175.705 176.000 0.020 0.000 0.896 369 Q CA 0.427 56.261 55.803 0.051 0.000 0.942 369 Q CB 0.606 29.387 28.738 0.072 0.000 1.083 369 Q HN 0.510 nan 8.270 nan 0.000 0.510 370 D N -0.216 120.184 120.400 0.000 0.000 2.696 370 D HA 0.085 4.725 4.640 0.000 0.000 0.269 370 D C -0.107 176.184 176.300 -0.014 0.000 1.319 370 D CA -0.282 53.714 54.000 -0.007 0.000 0.826 370 D CB -0.144 40.649 40.800 -0.011 0.000 1.086 370 D HN 0.092 nan 8.370 nan 0.000 0.481 371 L N 1.093 122.307 121.223 -0.015 0.000 2.525 371 L HA 0.076 4.416 4.340 0.000 0.000 0.278 371 L C 1.638 178.498 176.870 -0.017 0.000 1.218 371 L CA 0.732 55.559 54.840 -0.022 0.000 0.878 371 L CB 0.671 42.717 42.059 -0.022 0.000 1.127 371 L HN 0.236 nan 8.230 nan 0.000 0.492 372 T N -2.360 112.184 114.554 -0.017 0.000 3.464 372 T HA 0.068 4.418 4.350 0.000 0.000 0.222 372 T C 0.702 175.393 174.700 -0.014 0.000 0.982 372 T CA 0.150 62.242 62.100 -0.013 0.000 1.132 372 T CB 0.129 68.992 68.868 -0.009 0.000 1.226 372 T HN 0.566 nan 8.240 nan 0.000 0.346 373 N N 0.977 119.672 118.700 -0.008 0.000 2.451 373 N HA 0.294 5.034 4.740 0.000 0.000 0.271 373 N C 0.024 175.539 175.510 0.009 0.000 1.410 373 N CA -0.209 52.838 53.050 -0.005 0.000 0.884 373 N CB 0.599 39.085 38.487 -0.001 0.000 1.332 373 N HN 0.451 nan 8.380 nan 0.000 0.498 374 E N -0.123 120.084 120.200 0.011 0.000 2.400 374 E HA 0.204 4.554 4.350 0.000 0.000 0.195 374 E C -0.103 176.557 176.600 0.100 0.000 1.012 374 E CA 0.098 56.523 56.400 0.042 0.000 0.875 374 E CB 0.215 29.911 29.700 -0.006 0.000 0.859 374 E HN 0.336 nan 8.360 nan 0.000 0.498 375 c N 1.424 120.058 118.600 0.056 0.000 2.644 375 c HA 0.268 4.838 4.570 0.000 0.000 0.417 375 c C 0.314 174.433 174.090 0.048 0.000 1.304 375 c CA -0.598 55.779 56.329 0.080 0.000 2.035 375 c CB -0.641 41.857 42.510 -0.020 0.000 2.673 375 c HN 0.300 nan 8.230 nan 0.000 0.602 376 L N 3.085 124.337 121.223 0.048 0.000 2.346 376 L HA 0.558 4.898 4.340 0.000 0.000 0.276 376 L C -0.413 176.392 176.870 -0.110 0.000 1.006 376 L CA -0.535 54.281 54.840 -0.041 0.000 0.817 376 L CB 1.296 43.309 42.059 -0.075 0.000 1.272 376 L HN 0.338 nan 8.230 nan 0.000 0.421 377 V N 4.789 124.626 119.914 -0.128 0.000 2.364 377 V HA 0.322 4.442 4.120 0.000 0.000 0.272 377 V C 0.019 176.036 176.094 -0.128 0.000 1.036 377 V CA -0.203 61.995 62.300 -0.170 0.000 0.880 377 V CB 1.300 32.977 31.823 -0.243 0.000 0.991 377 V HN 0.480 nan 8.190 nan 0.000 0.460 378 L N 8.832 129.947 121.223 -0.179 0.000 2.324 378 L HA 0.457 4.797 4.340 0.000 0.000 0.274 378 L C -2.282 174.442 176.870 -0.243 0.000 1.012 378 L CA -1.532 53.174 54.840 -0.224 0.000 0.859 378 L CB 2.042 43.897 42.059 -0.340 0.000 1.224 378 L HN 0.433 nan 8.230 nan 0.000 0.429 379 P HA 0.201 nan 4.420 nan 0.000 0.281 379 P C -0.722 176.478 177.300 -0.167 0.000 1.249 379 P CA -0.375 62.720 63.100 -0.008 0.000 0.810 379 P CB 0.998 32.812 31.700 0.190 0.000 1.008 380 F N 0.242 120.145 119.950 -0.078 0.000 2.382 380 F HA 0.172 4.699 4.527 -0.000 0.000 0.331 380 F C 1.756 177.477 175.800 -0.131 0.000 1.121 380 F CA 0.339 58.241 58.000 -0.162 0.000 1.183 380 F CB 0.633 39.490 39.000 -0.239 0.000 1.207 380 F HN 0.195 nan 8.300 nan 0.000 0.555 381 S N 1.769 117.506 115.700 0.061 0.000 2.549 381 S HA 0.074 4.544 4.470 0.000 0.000 0.279 381 S C 0.923 175.486 174.600 -0.061 0.000 1.321 381 S CA -0.725 57.454 58.200 -0.035 0.000 1.054 381 S CB 0.176 63.337 63.200 -0.066 0.000 0.899 381 S HN 0.577 nan 8.310 nan 0.000 0.497 382 N N 3.381 122.006 118.700 -0.125 0.000 2.571 382 N HA 0.027 4.767 4.740 0.000 0.000 0.189 382 N C 0.294 175.698 175.510 -0.177 0.000 1.154 382 N CA 0.315 53.245 53.050 -0.200 0.000 0.907 382 N CB 0.011 38.168 38.487 -0.550 0.000 0.977 382 N HN 0.584 nan 8.380 nan 0.000 0.449 383 D N -0.070 120.243 120.400 -0.146 0.000 2.350 383 D HA 0.063 4.703 4.640 0.000 0.000 0.213 383 D C 0.968 177.238 176.300 -0.049 0.000 1.031 383 D CA 0.514 54.439 54.000 -0.124 0.000 0.861 383 D CB 0.458 41.168 40.800 -0.151 0.000 0.926 383 D HN 0.421 nan 8.370 nan 0.000 0.520 384 Q N -0.634 119.036 119.800 -0.216 0.000 2.185 384 Q HA 0.228 4.568 4.340 0.000 0.000 0.234 384 Q C -0.071 175.335 176.000 -0.989 0.000 0.819 384 Q CA 0.074 55.534 55.803 -0.571 0.000 0.961 384 Q CB 2.560 31.092 28.738 -0.343 0.000 1.140 384 Q HN -0.085 nan 8.270 nan 0.000 0.492 385 V N 0.987 120.595 119.914 -0.510 0.000 3.007 385 V HA 0.376 4.496 4.120 0.000 0.000 0.311 385 V C -0.363 175.832 176.094 0.167 0.000 1.120 385 V CA -0.844 61.231 62.300 -0.375 0.000 0.980 385 V CB 2.494 33.995 31.823 -0.536 0.000 1.033 385 V HN 0.119 nan 8.190 nan 0.000 0.429 386 L N 1.939 123.283 121.223 0.201 0.000 2.543 386 L HA 0.464 4.804 4.340 0.000 0.000 0.231 386 L C 0.693 177.537 176.870 -0.043 0.000 1.194 386 L CA -0.466 54.448 54.840 0.125 0.000 0.823 386 L CB 0.396 42.441 42.059 -0.023 0.000 1.374 386 L HN 0.638 nan 8.230 nan 0.000 0.507 387 M N 0.828 120.183 119.600 -0.408 0.000 2.235 387 M HA 0.037 4.517 4.480 0.000 0.000 0.336 387 M C 0.573 176.859 176.300 -0.023 0.000 1.146 387 M CA 0.243 55.364 55.300 -0.299 0.000 1.018 387 M CB 0.407 32.809 32.600 -0.330 0.000 1.694 387 M HN 0.618 nan 8.290 nan 0.000 0.451 388 G N 3.488 112.364 108.800 0.128 0.000 2.464 388 G HA2 0.404 4.364 3.960 0.000 0.000 0.231 388 G HA3 0.404 4.364 3.960 0.000 0.000 0.231 388 G C -0.557 174.440 174.900 0.162 0.000 1.267 388 G CA 0.084 45.324 45.100 0.233 0.000 0.863 388 G HN 1.158 nan 8.290 nan 0.000 0.559 389 A N 1.644 124.479 122.820 0.025 0.000 2.511 389 A HA 0.662 4.982 4.320 0.000 0.000 0.293 389 A C -0.231 176.939 177.584 -0.691 0.000 1.098 389 A CA -0.732 51.082 52.037 -0.372 0.000 0.643 389 A CB 0.426 19.287 19.000 -0.232 0.000 1.302 389 A HN 0.686 nan 8.150 nan 0.000 0.446 390 E N -0.722 119.037 120.200 -0.735 0.000 2.428 390 E HA 0.435 4.785 4.350 0.000 0.000 0.257 390 E C 0.419 176.972 176.600 -0.079 0.000 1.197 390 E CA 0.773 56.970 56.400 -0.338 0.000 0.974 390 E CB 0.582 30.270 29.700 -0.020 0.000 0.976 390 E HN 1.131 nan 8.360 nan 0.000 0.463 391 G N -0.124 108.796 108.800 0.201 0.000 2.488 391 G HA2 0.479 4.439 3.960 0.000 0.000 0.301 391 G HA3 0.479 4.439 3.960 0.000 0.000 0.301 391 G C -1.635 173.537 174.900 0.454 0.000 1.339 391 G CA -0.819 44.373 45.100 0.153 0.000 0.803 391 G HN 0.422 nan 8.290 nan 0.000 0.482 392 R N -0.859 119.888 120.500 0.411 0.000 2.707 392 R HA 0.691 5.031 4.340 0.000 0.000 0.272 392 R C -1.608 174.923 176.300 0.385 0.000 1.011 392 R CA -0.777 55.554 56.100 0.385 0.000 0.893 392 R CB 1.694 32.175 30.300 0.301 0.000 1.233 392 R HN 0.463 nan 8.270 nan 0.000 0.464 393 L N 3.462 124.816 121.223 0.219 0.000 2.334 393 L HA 0.585 4.925 4.340 0.000 0.000 0.276 393 L C -1.149 175.725 176.870 0.007 0.000 1.014 393 L CA -0.823 54.178 54.840 0.269 0.000 0.815 393 L CB 1.531 43.720 42.059 0.217 0.000 1.268 393 L HN 0.630 nan 8.230 nan 0.000 0.428 394 Y N 1.683 122.073 120.300 0.151 0.000 2.662 394 Y HA 0.679 5.229 4.550 0.000 0.000 0.335 394 Y C -0.292 175.533 175.900 -0.126 0.000 1.066 394 Y CA -1.017 57.046 58.100 -0.063 0.000 1.116 394 Y CB 1.946 40.239 38.460 -0.277 0.000 1.308 394 Y HN 0.380 nan 8.280 nan 0.000 0.502 395 M N 1.342 120.830 119.600 -0.186 0.000 2.165 395 M HA 0.433 4.913 4.480 0.000 0.000 0.283 395 M C -2.377 173.635 176.300 -0.480 0.000 0.978 395 M CA -0.625 54.584 55.300 -0.151 0.000 0.948 395 M CB 1.007 33.596 32.600 -0.018 0.000 1.599 395 M HN 0.506 nan 8.290 nan 0.000 0.450 396 Y N 4.190 124.380 120.300 -0.184 0.000 2.526 396 Y HA 0.627 5.177 4.550 0.000 0.000 0.328 396 Y C 0.938 176.708 175.900 -0.215 0.000 0.995 396 Y CA 0.094 57.877 58.100 -0.530 0.000 1.304 396 Y CB 1.106 38.801 38.460 -1.275 0.000 1.096 396 Y HN 0.971 nan 8.280 nan 0.000 0.499 397 G N 2.222 111.022 108.800 -0.000 0.000 2.561 397 G HA2 -0.330 3.630 3.960 0.000 0.000 0.289 397 G HA3 -0.330 3.630 3.960 0.000 0.000 0.289 397 G C 0.598 175.578 174.900 0.134 0.000 1.169 397 G CA 0.590 45.743 45.100 0.089 0.000 0.980 397 G HN 0.504 nan 8.290 nan 0.000 0.550 398 D N 1.294 121.798 120.400 0.173 0.000 2.349 398 D HA 0.276 4.916 4.640 0.000 0.000 0.214 398 D C 0.844 177.305 176.300 0.267 0.000 1.063 398 D CA 0.861 54.988 54.000 0.212 0.000 0.847 398 D CB 0.348 41.248 40.800 0.167 0.000 0.933 398 D HN 0.288 nan 8.370 nan 0.000 0.513 399 S N 0.451 116.308 115.700 0.262 0.000 2.508 399 S HA 0.387 4.857 4.470 0.000 0.000 0.284 399 S C 0.227 174.992 174.600 0.275 0.000 1.192 399 S CA -0.689 57.678 58.200 0.279 0.000 1.070 399 S CB 2.645 66.106 63.200 0.435 0.000 1.004 399 S HN -0.149 nan 8.310 nan 0.000 0.493 400 V N 3.443 123.419 119.914 0.104 0.000 2.481 400 V HA 0.438 4.558 4.120 0.000 0.000 0.286 400 V C -1.027 175.202 176.094 0.223 0.000 1.042 400 V CA -0.423 61.925 62.300 0.080 0.000 0.928 400 V CB 0.547 32.242 31.823 -0.213 0.000 0.986 400 V HN 0.785 nan 8.190 nan 0.000 0.462 401 Y N 2.927 123.374 120.300 0.243 0.000 2.570 401 Y HA 0.628 5.178 4.550 0.000 0.000 0.345 401 Y C -0.720 175.478 175.900 0.497 0.000 1.014 401 Y CA -0.896 57.412 58.100 0.347 0.000 1.063 401 Y CB 2.073 40.751 38.460 0.363 0.000 1.272 401 Y HN 0.612 nan 8.280 nan 0.000 0.477 402 Y N 2.646 123.205 120.300 0.431 0.000 2.425 402 Y HA 0.455 5.005 4.550 -0.000 0.000 0.344 402 Y C -1.905 174.273 175.900 0.464 0.000 0.969 402 Y CA -1.804 56.545 58.100 0.416 0.000 1.052 402 Y CB 1.080 39.670 38.460 0.217 0.000 1.215 402 Y HN 0.547 nan 8.280 nan 0.000 0.451 403 Y N 6.128 126.347 120.300 -0.135 0.000 2.331 403 Y HA 0.490 5.040 4.550 0.000 0.000 0.338 403 Y C -1.010 174.433 175.900 -0.761 0.000 0.992 403 Y CA -0.691 57.255 58.100 -0.257 0.000 1.121 403 Y CB 1.203 39.690 38.460 0.046 0.000 1.184 403 Y HN 0.713 nan 8.280 nan 0.000 0.469 404 Q N 7.349 126.349 119.800 -1.335 0.000 2.341 404 Q HA 0.325 4.665 4.340 0.000 0.000 0.268 404 Q C -0.587 174.700 176.000 -1.190 0.000 1.013 404 Q CA -1.033 54.092 55.803 -1.129 0.000 0.798 404 Q CB 0.961 29.423 28.738 -0.459 0.000 1.253 404 Q HN 0.924 nan 8.270 nan 0.000 0.457 405 R N 2.281 122.138 120.500 -1.072 0.000 2.638 405 R HA 0.045 4.385 4.340 0.000 0.000 0.268 405 R C -0.846 175.222 176.300 -0.387 0.000 1.006 405 R CA 0.470 56.182 56.100 -0.647 0.000 1.088 405 R CB 0.522 30.613 30.300 -0.348 0.000 0.950 405 R HN 0.514 nan 8.270 nan 0.000 0.419 406 S N 3.606 119.148 115.700 -0.263 0.000 2.955 406 S HA 0.069 4.539 4.470 0.000 0.000 0.294 406 S C 0.144 174.644 174.600 -0.167 0.000 1.198 406 S CA -0.454 57.618 58.200 -0.213 0.000 1.008 406 S CB 0.316 63.389 63.200 -0.211 0.000 1.279 406 S HN 0.623 nan 8.310 nan 0.000 0.508 407 N N 1.344 119.946 118.700 -0.162 0.000 2.230 407 N HA 0.182 4.922 4.740 0.000 0.000 0.202 407 N C 0.686 176.101 175.510 -0.158 0.000 1.119 407 N CA 0.052 53.033 53.050 -0.116 0.000 0.851 407 N CB 0.447 38.891 38.487 -0.071 0.000 0.990 407 N HN 0.420 nan 8.380 nan 0.000 0.497 408 S N -1.462 114.114 115.700 -0.206 0.000 2.816 408 S HA 0.255 4.725 4.470 0.000 0.000 0.253 408 S C 1.017 175.531 174.600 -0.144 0.000 1.055 408 S CA -0.638 57.419 58.200 -0.238 0.000 1.032 408 S CB -0.247 62.772 63.200 -0.303 0.000 1.270 408 S HN 0.360 nan 8.310 nan 0.000 0.587 409 W N 0.463 121.712 121.300 -0.085 0.000 2.409 409 W HA 0.095 4.755 4.660 0.000 0.000 0.299 409 W C 0.952 177.546 176.519 0.125 0.000 1.203 409 W CA -0.271 57.074 57.345 0.001 0.000 1.298 409 W CB -1.128 28.339 29.460 0.012 0.000 1.127 409 W HN 0.480 nan 8.180 nan 0.000 0.528 410 W N 6.635 127.468 121.300 -0.778 0.000 2.446 410 W HA 0.076 4.736 4.660 0.000 0.000 0.316 410 W C -1.542 174.782 176.519 -0.325 0.000 1.376 410 W CA -1.768 55.211 57.345 -0.612 0.000 1.300 410 W CB 0.812 29.631 29.460 -1.068 0.000 1.351 410 W HN -0.196 nan 8.180 nan 0.000 0.530 411 P HA -0.018 nan 4.420 nan 0.000 0.257 411 P C 0.241 177.187 177.300 -0.590 0.000 1.281 411 P CA 0.532 63.364 63.100 -0.447 0.000 0.826 411 P CB 0.297 31.822 31.700 -0.292 0.000 1.237 412 M N -0.273 118.706 119.600 -1.036 0.000 2.444 412 M HA 0.255 4.735 4.480 0.000 0.000 0.319 412 M C 0.577 176.653 176.300 -0.374 0.000 1.183 412 M CA -0.569 54.300 55.300 -0.719 0.000 1.032 412 M CB -0.077 32.006 32.600 -0.861 0.000 1.569 412 M HN -0.318 nan 8.290 nan 0.000 0.468 413 T N 3.329 117.761 114.554 -0.203 0.000 2.866 413 T HA 0.133 4.483 4.350 0.000 0.000 0.293 413 T C 0.240 174.845 174.700 -0.160 0.000 1.005 413 T CA 0.215 62.248 62.100 -0.110 0.000 1.162 413 T CB -0.116 68.681 68.868 -0.119 0.000 0.968 413 T HN 0.319 nan 8.240 nan 0.000 0.530 414 M N 4.820 124.332 119.600 -0.147 0.000 2.072 414 M HA 0.430 4.910 4.480 0.000 0.000 0.331 414 M C -0.724 175.374 176.300 -0.337 0.000 1.004 414 M CA -0.356 54.772 55.300 -0.287 0.000 0.952 414 M CB 0.810 33.269 32.600 -0.235 0.000 1.511 414 M HN 0.454 nan 8.290 nan 0.000 0.422 415 L N 4.275 125.227 121.223 -0.451 0.000 2.365 415 L HA 0.635 4.975 4.340 0.000 0.000 0.273 415 L C -1.441 175.248 176.870 -0.303 0.000 1.000 415 L CA -0.827 53.880 54.840 -0.221 0.000 0.819 415 L CB 1.985 43.953 42.059 -0.152 0.000 1.284 415 L HN 0.507 nan 8.230 nan 0.000 0.418 416 Y N 0.698 121.046 120.300 0.080 0.000 2.477 416 Y HA 0.388 4.938 4.550 -0.000 0.000 0.347 416 Y C -0.234 175.560 175.900 -0.177 0.000 0.981 416 Y CA -1.069 57.031 58.100 0.000 0.000 1.033 416 Y CB 1.902 40.306 38.460 -0.093 0.000 1.245 416 Y HN 0.382 nan 8.280 nan 0.000 0.455 417 K N 2.450 122.714 120.400 -0.227 0.000 2.262 417 K HA 0.567 4.887 4.320 0.000 0.000 0.282 417 K C -1.388 175.008 176.600 -0.340 0.000 1.066 417 K CA -0.351 55.462 56.287 -0.789 0.000 0.901 417 K CB 0.544 32.661 32.500 -0.638 0.000 1.089 417 K HN 0.582 nan 8.250 nan 0.000 0.476 418 V N 4.100 123.868 119.914 -0.244 0.000 2.432 418 V HA 0.175 4.295 4.120 0.000 0.000 0.275 418 V C -0.024 175.998 176.094 -0.120 0.000 1.043 418 V CA -0.558 61.690 62.300 -0.086 0.000 0.925 418 V CB 1.437 33.270 31.823 0.016 0.000 0.985 418 V HN 0.788 nan 8.190 nan 0.000 0.466 419 T N 6.791 121.284 114.554 -0.103 0.000 2.756 419 T HA 0.599 4.949 4.350 0.000 0.000 0.290 419 T C -0.153 174.495 174.700 -0.087 0.000 0.985 419 T CA -0.068 61.983 62.100 -0.081 0.000 0.955 419 T CB 0.463 69.286 68.868 -0.075 0.000 0.930 419 T HN 0.392 nan 8.240 nan 0.000 0.451 420 I N 2.998 123.538 120.570 -0.050 0.000 2.354 420 I HA 0.310 4.480 4.170 0.000 0.000 0.292 420 I C 0.465 176.602 176.117 0.034 0.000 0.989 420 I CA -0.657 60.599 61.300 -0.074 0.000 1.188 420 I CB 1.623 39.576 38.000 -0.078 0.000 1.342 420 I HN 0.439 nan 8.210 nan 0.000 0.457 421 T N 6.132 120.623 114.554 -0.105 0.000 2.795 421 T HA 0.508 4.858 4.350 0.000 0.000 0.282 421 T C -0.591 174.018 174.700 -0.151 0.000 0.980 421 T CA -0.200 61.881 62.100 -0.032 0.000 1.012 421 T CB 0.473 69.296 68.868 -0.075 0.000 0.936 421 T HN 0.103 nan 8.240 nan 0.000 0.457 422 F N 1.774 121.662 119.950 -0.103 0.000 2.458 422 F HA 0.447 4.974 4.527 -0.000 0.000 0.336 422 F C 0.830 176.580 175.800 -0.084 0.000 1.114 422 F CA -0.768 57.158 58.000 -0.124 0.000 0.987 422 F CB 1.888 40.818 39.000 -0.116 0.000 1.130 422 F HN 0.342 nan 8.300 nan 0.000 0.458 423 T N 3.209 117.790 114.554 0.044 0.000 2.864 423 T HA 0.269 4.619 4.350 0.000 0.000 0.310 423 T C -0.266 174.465 174.700 0.051 0.000 1.040 423 T CA -0.875 61.243 62.100 0.030 0.000 0.977 423 T CB 0.083 68.940 68.868 -0.018 0.000 0.976 423 T HN 0.719 nan 8.240 nan 0.000 0.459 424 N N 2.235 120.977 118.700 0.069 0.000 2.783 424 N HA -0.205 4.535 4.740 0.000 0.000 0.247 424 N C 0.956 176.539 175.510 0.122 0.000 1.089 424 N CA 0.374 53.468 53.050 0.074 0.000 0.690 424 N CB -1.008 37.511 38.487 0.054 0.000 0.991 424 N HN 1.144 nan 8.380 nan 0.000 0.552 425 G N -0.629 108.270 108.800 0.165 0.000 2.155 425 G HA2 -0.353 3.607 3.960 0.000 0.000 0.257 425 G HA3 -0.353 3.607 3.960 0.000 0.000 0.257 425 G C -0.217 174.919 174.900 0.393 0.000 0.983 425 G CA 0.751 46.004 45.100 0.254 0.000 0.676 425 G HN 0.528 nan 8.290 nan 0.000 0.528 426 Q N -0.400 119.532 119.800 0.221 0.000 2.356 426 Q HA 0.375 4.715 4.340 0.000 0.000 0.270 426 Q C -2.863 172.831 176.000 -0.510 0.000 1.058 426 Q CA -2.133 53.621 55.803 -0.082 0.000 0.802 426 Q CB 2.817 31.557 28.738 0.003 0.000 1.303 426 Q HN 0.062 nan 8.270 nan 0.000 0.444 427 P HA -0.072 nan 4.420 nan 0.000 0.263 427 P C 0.121 177.037 177.300 -0.640 0.000 1.195 427 P CA 0.637 62.986 63.100 -1.252 0.000 0.762 427 P CB 0.654 31.621 31.700 -1.221 0.000 0.799 428 S N 2.686 118.098 115.700 -0.479 0.000 2.549 428 S HA 0.575 5.045 4.470 0.000 0.000 0.225 428 S C 0.431 174.884 174.600 -0.245 0.000 1.039 428 S CA 0.178 58.209 58.200 -0.281 0.000 0.942 428 S CB 0.294 63.387 63.200 -0.178 0.000 0.881 428 S HN 0.526 nan 8.310 nan 0.000 0.503 429 A N 1.200 123.850 122.820 -0.284 0.000 2.590 429 A HA 0.638 4.958 4.320 0.000 0.000 0.296 429 A C -1.178 176.246 177.584 -0.266 0.000 1.050 429 A CA -0.954 50.940 52.037 -0.240 0.000 0.697 429 A CB 0.530 19.432 19.000 -0.163 0.000 1.277 429 A HN 0.874 nan 8.150 nan 0.000 0.411 430 I N -1.082 119.314 120.570 -0.290 0.000 2.646 430 I HA 0.910 5.080 4.170 0.000 0.000 0.299 430 I C -0.323 175.683 176.117 -0.184 0.000 1.036 430 I CA -0.672 60.449 61.300 -0.299 0.000 1.074 430 I CB 2.230 39.912 38.000 -0.530 0.000 1.258 430 I HN 0.557 nan 8.210 nan 0.000 0.430 431 S N 3.491 119.129 115.700 -0.103 0.000 2.538 431 S HA 0.866 5.336 4.470 0.000 0.000 0.288 431 S C -0.837 173.755 174.600 -0.013 0.000 1.108 431 S CA -0.381 57.787 58.200 -0.052 0.000 0.971 431 S CB 1.617 64.769 63.200 -0.081 0.000 1.041 431 S HN 1.050 nan 8.310 nan 0.000 0.483 432 A N 3.646 126.450 122.820 -0.025 0.000 2.343 432 A HA 0.714 5.034 4.320 0.000 0.000 0.316 432 A C -0.716 176.809 177.584 -0.098 0.000 1.104 432 A CA -0.628 51.359 52.037 -0.085 0.000 0.768 432 A CB 1.386 20.189 19.000 -0.328 0.000 1.213 432 A HN 0.784 nan 8.150 nan 0.000 0.456 433 Q N 2.511 122.262 119.800 -0.081 0.000 2.341 433 Q HA 0.238 4.578 4.340 0.000 0.000 0.268 433 Q C -0.673 175.377 176.000 0.083 0.000 1.013 433 Q CA -0.492 55.245 55.803 -0.109 0.000 0.798 433 Q CB 0.878 29.358 28.738 -0.430 0.000 1.253 433 Q HN 0.898 nan 8.270 nan 0.000 0.457 434 N N 2.775 121.559 118.700 0.141 0.000 2.518 434 N HA 0.102 4.842 4.740 0.000 0.000 0.266 434 N C -0.898 174.738 175.510 0.210 0.000 1.196 434 N CA -0.150 52.916 53.050 0.026 0.000 0.947 434 N CB 0.956 39.478 38.487 0.060 0.000 1.098 434 N HN 0.348 nan 8.380 nan 0.000 0.450 435 V N 6.040 125.989 119.914 0.058 0.000 2.322 435 V HA 0.213 4.333 4.120 0.000 0.000 0.258 435 V C -1.841 174.218 176.094 -0.059 0.000 1.074 435 V CA -1.410 60.880 62.300 -0.016 0.000 0.909 435 V CB 0.645 32.385 31.823 -0.139 0.000 1.090 435 V HN 0.671 nan 8.190 nan 0.000 0.486 436 P HA 0.101 nan 4.420 nan 0.000 0.261 436 P C -0.068 177.252 177.300 0.034 0.000 1.203 436 P CA 0.623 63.738 63.100 0.025 0.000 0.767 436 P CB 0.546 32.268 31.700 0.038 0.000 0.785 437 T N 0.076 114.682 114.554 0.086 0.000 2.812 437 T HA 0.479 4.829 4.350 0.000 0.000 0.294 437 T C 0.013 174.857 174.700 0.241 0.000 1.159 437 T CA -0.622 61.554 62.100 0.127 0.000 1.008 437 T CB 1.939 70.859 68.868 0.087 0.000 1.289 437 T HN 0.457 nan 8.240 nan 0.000 0.514 438 Q N -0.361 119.544 119.800 0.175 0.000 2.023 438 Q HA 0.348 4.688 4.340 0.000 0.000 0.221 438 Q C -0.651 175.331 176.000 -0.028 0.000 0.806 438 Q CA -0.756 55.136 55.803 0.148 0.000 1.052 438 Q CB 0.596 29.454 28.738 0.201 0.000 1.229 438 Q HN 0.352 nan 8.270 nan 0.000 0.440 439 Q N 0.857 120.664 119.800 0.012 0.000 2.342 439 Q HA 0.502 4.842 4.340 0.000 0.000 0.267 439 Q C -0.580 175.365 176.000 -0.092 0.000 1.038 439 Q CA -0.740 55.035 55.803 -0.047 0.000 0.832 439 Q CB 2.280 31.015 28.738 -0.004 0.000 1.323 439 Q HN 0.249 nan 8.270 nan 0.000 0.448 440 V N 2.892 122.604 119.914 -0.337 0.000 3.765 440 V HA -0.163 3.957 4.120 0.000 0.000 0.447 440 V C -2.405 173.503 176.094 -0.309 0.000 0.680 440 V CA -0.292 61.682 62.300 -0.542 0.000 1.894 440 V CB -0.727 30.744 31.823 -0.586 0.000 2.321 440 V HN 0.650 nan 8.190 nan 0.000 0.492 441 P HA 0.605 nan 4.420 nan 0.000 0.280 441 P C -0.798 176.501 177.300 -0.002 0.000 1.272 441 P CA -0.490 62.513 63.100 -0.161 0.000 0.819 441 P CB 0.872 32.492 31.700 -0.133 0.000 1.122 442 R N 0.641 121.120 120.500 -0.035 0.000 2.686 442 R HA 0.488 4.828 4.340 0.000 0.000 0.283 442 R C -3.144 173.159 176.300 0.006 0.000 0.978 442 R CA -2.487 53.628 56.100 0.025 0.000 0.897 442 R CB 1.140 31.444 30.300 0.006 0.000 1.192 442 R HN 0.192 nan 8.270 nan 0.000 0.457 443 P HA 0.204 nan 4.420 nan 0.000 0.267 443 P C -0.408 176.903 177.300 0.018 0.000 1.209 443 P CA 0.192 63.304 63.100 0.020 0.000 0.763 443 P CB 0.925 32.643 31.700 0.031 0.000 0.816 444 G N 1.793 110.596 108.800 0.004 0.000 3.042 444 G HA2 0.642 4.602 3.960 0.000 0.000 0.278 444 G HA3 0.642 4.602 3.960 0.000 0.000 0.278 444 G C -1.170 173.732 174.900 0.003 0.000 1.371 444 G CA -0.502 44.599 45.100 0.001 0.000 1.009 444 G HN 0.335 nan 8.290 nan 0.000 0.523 445 T N -0.725 113.827 114.554 -0.004 0.000 2.918 445 T HA 0.622 4.972 4.350 0.000 0.000 0.286 445 T C 1.080 175.775 174.700 -0.009 0.000 1.026 445 T CA 0.848 62.944 62.100 -0.007 0.000 1.031 445 T CB 1.116 69.975 68.868 -0.015 0.000 1.046 445 T HN 1.864 nan 8.240 nan 0.000 0.479 446 G N 2.240 111.036 108.800 -0.007 0.000 2.651 446 G HA2 -0.275 3.685 3.960 0.000 0.000 0.315 446 G HA3 -0.275 3.685 3.960 0.000 0.000 0.315 446 G C 0.192 175.097 174.900 0.008 0.000 1.258 446 G CA 0.461 45.559 45.100 -0.002 0.000 1.002 446 G HN 0.760 nan 8.290 nan 0.000 0.551 447 D N 0.824 121.233 120.400 0.015 0.000 2.400 447 D HA 0.261 4.901 4.640 0.000 0.000 0.243 447 D C 0.749 177.075 176.300 0.043 0.000 1.184 447 D CA 0.858 54.874 54.000 0.028 0.000 0.853 447 D CB -0.481 40.338 40.800 0.031 0.000 0.944 447 D HN 0.449 nan 8.370 nan 0.000 0.501 448 c N 0.865 119.482 118.600 0.029 0.000 3.061 448 c HA 0.197 4.767 4.570 0.000 0.000 0.249 448 c C 1.274 175.370 174.090 0.009 0.000 2.060 448 c CA -1.017 55.332 56.329 0.034 0.000 1.649 448 c CB -1.206 41.312 42.510 0.013 0.000 3.268 448 c HN 0.201 nan 8.230 nan 0.000 0.457 449 S N 1.335 117.040 115.700 0.009 0.000 2.625 449 S HA 0.577 5.047 4.470 0.000 0.000 0.262 449 S C 1.377 175.965 174.600 -0.021 0.000 1.223 449 S CA 0.437 58.635 58.200 -0.004 0.000 0.993 449 S CB 0.633 63.833 63.200 -0.000 0.000 1.051 449 S HN 0.626 nan 8.310 nan 0.000 0.562 450 A N 0.240 123.042 122.820 -0.029 0.000 2.172 450 A HA 0.064 4.384 4.320 0.000 0.000 0.216 450 A C 2.073 179.618 177.584 -0.065 0.000 1.154 450 A CA 1.503 53.505 52.037 -0.059 0.000 0.701 450 A CB -1.516 17.464 19.000 -0.034 0.000 0.789 450 A HN 1.089 nan 8.150 nan 0.000 0.465 451 T N -2.959 111.578 114.554 -0.028 0.000 3.086 451 T HA 0.109 4.459 4.350 0.000 0.000 0.250 451 T C 0.594 175.306 174.700 0.020 0.000 1.074 451 T CA 0.069 62.162 62.100 -0.011 0.000 0.988 451 T CB -0.537 68.332 68.868 0.001 0.000 0.988 451 T HN 0.313 nan 8.240 nan 0.000 0.530 452 N N 1.305 120.026 118.700 0.035 0.000 2.508 452 N HA 0.211 4.951 4.740 0.000 0.000 0.264 452 N C 0.837 176.462 175.510 0.192 0.000 1.216 452 N CA -0.268 52.846 53.050 0.105 0.000 0.943 452 N CB 0.512 39.075 38.487 0.126 0.000 1.113 452 N HN 0.018 nan 8.380 nan 0.000 0.447 453 R N 1.178 121.844 120.500 0.277 0.000 2.526 453 R HA 0.229 4.569 4.340 0.000 0.000 0.346 453 R C -0.763 175.778 176.300 0.400 0.000 0.926 453 R CA -0.139 56.237 56.100 0.459 0.000 1.147 453 R CB -0.671 29.824 30.300 0.324 0.000 1.629 453 R HN 0.461 nan 8.270 nan 0.000 0.516 454 C N 2.574 122.015 119.300 0.234 0.000 2.355 454 C HA 0.535 4.995 4.460 0.000 0.000 0.332 454 C C -2.251 172.601 174.990 -0.229 0.000 1.255 454 C CA -1.850 57.156 59.018 -0.020 0.000 1.792 454 C CB 2.038 29.751 27.740 -0.044 0.000 2.300 454 C HN 0.044 nan 8.230 nan 0.000 0.515 455 P HA 0.450 nan 4.420 nan 0.000 0.268 455 P C 0.288 177.215 177.300 -0.622 0.000 1.208 455 P CA 1.125 63.309 63.100 -1.527 0.000 0.777 455 P CB 0.498 31.338 31.700 -1.434 0.000 0.875 456 G N 0.756 109.280 108.800 -0.459 0.000 2.315 456 G HA2 0.293 4.253 3.960 0.000 0.000 0.294 456 G HA3 0.293 4.253 3.960 0.000 0.000 0.294 456 G C -2.114 172.845 174.900 0.099 0.000 1.300 456 G CA -0.725 44.327 45.100 -0.081 0.000 0.843 456 G HN 0.370 nan 8.290 nan 0.000 0.527 457 F N 0.841 120.826 119.950 0.059 0.000 2.405 457 F HA 0.690 5.217 4.527 -0.000 0.000 0.355 457 F C 0.158 176.008 175.800 0.085 0.000 1.121 457 F CA -0.535 57.523 58.000 0.096 0.000 1.112 457 F CB 0.739 39.789 39.000 0.083 0.000 1.126 457 F HN 0.542 nan 8.300 nan 0.000 0.481 458 c N 5.740 123.873 118.600 -0.778 0.000 2.889 458 c HA 0.680 5.250 4.570 0.000 0.000 0.307 458 c C -0.621 173.032 174.090 -0.728 0.000 1.251 458 c CA -0.932 55.098 56.329 -0.499 0.000 1.593 458 c CB 1.635 44.046 42.510 -0.166 0.000 2.104 458 c HN 0.816 nan 8.230 nan 0.000 0.476 459 L N 2.424 123.438 121.223 -0.347 0.000 2.481 459 L HA 0.517 4.857 4.340 0.000 0.000 0.263 459 L C -0.233 176.585 176.870 -0.087 0.000 1.537 459 L CA 0.703 55.420 54.840 -0.206 0.000 0.741 459 L CB 0.443 42.429 42.059 -0.122 0.000 0.974 459 L HN 0.893 nan 8.230 nan 0.000 0.519 460 T N -0.730 113.781 114.554 -0.072 0.000 2.853 460 T HA 0.899 5.249 4.350 0.000 0.000 0.311 460 T C -0.463 174.230 174.700 -0.011 0.000 1.307 460 T CA 0.170 62.259 62.100 -0.019 0.000 1.019 460 T CB 1.727 70.579 68.868 -0.028 0.000 1.264 460 T HN 0.901 nan 8.240 nan 0.000 0.497 461 G N 0.710 109.527 108.800 0.029 0.000 2.350 461 G HA2 0.459 4.419 3.960 0.000 0.000 0.282 461 G HA3 0.459 4.419 3.960 0.000 0.000 0.282 461 G C -1.693 173.260 174.900 0.089 0.000 1.314 461 G CA 0.094 45.211 45.100 0.028 0.000 0.915 461 G HN 1.605 nan 8.290 nan 0.000 0.499 462 V N -1.898 118.062 119.914 0.077 0.000 3.188 462 V HA 0.717 4.838 4.120 0.000 0.000 0.305 462 V C -0.989 175.117 176.094 0.020 0.000 1.232 462 V CA -1.169 61.214 62.300 0.137 0.000 1.043 462 V CB 1.739 33.685 31.823 0.205 0.000 1.068 462 V HN 1.404 nan 8.190 nan 0.000 0.439 463 Y N 1.765 121.868 120.300 -0.327 0.000 2.365 463 Y HA 0.708 5.258 4.550 0.000 0.000 0.340 463 Y C 0.210 176.027 175.900 -0.139 0.000 1.016 463 Y CA -0.197 57.662 58.100 -0.401 0.000 1.196 463 Y CB 0.914 38.710 38.460 -1.106 0.000 1.167 463 Y HN 1.051 nan 8.280 nan 0.000 0.509 464 A N 5.930 128.586 122.820 -0.274 0.000 2.872 464 A HA 0.323 4.643 4.320 0.000 0.000 0.305 464 A C -1.196 176.033 177.584 -0.593 0.000 1.171 464 A CA -0.749 51.200 52.037 -0.147 0.000 0.782 464 A CB -0.299 18.755 19.000 0.091 0.000 1.329 464 A HN 0.834 nan 8.150 nan 0.000 0.432 465 D N 1.507 121.300 120.400 -1.012 0.000 2.377 465 D HA 0.684 5.324 4.640 0.000 0.000 0.245 465 D C 0.208 176.259 176.300 -0.414 0.000 1.196 465 D CA 0.222 53.349 54.000 -1.454 0.000 0.962 465 D CB 1.250 41.466 40.800 -0.973 0.000 1.127 465 D HN 0.740 nan 8.370 nan 0.000 0.471 466 A N 0.048 122.721 122.820 -0.244 0.000 2.475 466 A HA 0.488 4.808 4.320 0.000 0.000 0.301 466 A C -1.706 175.950 177.584 0.120 0.000 1.059 466 A CA -0.981 51.110 52.037 0.090 0.000 0.710 466 A CB 1.313 20.429 19.000 0.193 0.000 1.288 466 A HN 0.618 nan 8.150 nan 0.000 0.408 467 W N 4.202 125.548 121.300 0.076 0.000 2.429 467 W HA 0.541 5.201 4.660 0.000 0.000 0.314 467 W C -1.780 174.817 176.519 0.131 0.000 1.062 467 W CA -0.822 56.583 57.345 0.100 0.000 1.211 467 W CB 1.166 30.732 29.460 0.177 0.000 1.305 467 W HN 0.581 nan 8.180 nan 0.000 0.476 468 L N 7.606 128.645 121.223 -0.307 0.000 2.342 468 L HA 0.063 4.403 4.340 0.000 0.000 0.285 468 L C 1.257 178.143 176.870 0.028 0.000 1.095 468 L CA -0.134 54.584 54.840 -0.204 0.000 0.843 468 L CB 0.738 42.450 42.059 -0.577 0.000 1.201 468 L HN 0.467 nan 8.230 nan 0.000 0.445 469 L N 2.022 123.436 121.223 0.318 0.000 2.492 469 L HA 0.086 4.426 4.340 0.000 0.000 0.223 469 L C 0.750 177.832 176.870 0.354 0.000 1.132 469 L CA 0.645 55.775 54.840 0.482 0.000 0.850 469 L CB -0.038 42.342 42.059 0.535 0.000 0.966 469 L HN 0.575 nan 8.230 nan 0.000 0.454 470 T N -0.767 113.877 114.554 0.149 0.000 2.900 470 T HA 0.229 4.579 4.350 0.000 0.000 0.295 470 T C -0.583 173.804 174.700 -0.522 0.000 1.044 470 T CA -0.593 61.479 62.100 -0.047 0.000 0.995 470 T CB 1.940 70.791 68.868 -0.027 0.000 1.072 470 T HN -0.126 nan 8.240 nan 0.000 0.473 471 N N 2.859 121.034 118.700 -0.875 0.000 2.430 471 N HA 0.242 4.982 4.740 0.000 0.000 0.265 471 N C -1.926 173.119 175.510 -0.775 0.000 1.100 471 N CA -1.857 50.257 53.050 -1.559 0.000 0.961 471 N CB 1.612 39.389 38.487 -1.185 0.000 1.075 471 N HN 0.215 nan 8.380 nan 0.000 0.478 472 P HA 0.039 nan 4.420 nan 0.000 0.223 472 P C 0.587 177.630 177.300 -0.427 0.000 1.151 472 P CA 0.834 63.574 63.100 -0.600 0.000 0.787 472 P CB 0.412 31.621 31.700 -0.820 0.000 0.788 473 S N -1.404 114.212 115.700 -0.141 0.000 2.562 473 S HA 0.022 4.492 4.470 0.000 0.000 0.221 473 S C 1.718 176.311 174.600 -0.012 0.000 0.975 473 S CA 0.516 58.776 58.200 0.099 0.000 0.918 473 S CB -0.602 62.712 63.200 0.189 0.000 0.772 473 S HN 0.124 nan 8.310 nan 0.000 0.531 474 S N 1.676 117.303 115.700 -0.122 0.000 2.522 474 S HA 0.011 4.481 4.470 0.000 0.000 0.227 474 S C 1.094 175.657 174.600 -0.062 0.000 0.986 474 S CA 0.379 58.524 58.200 -0.092 0.000 0.929 474 S CB -0.025 63.094 63.200 -0.135 0.000 0.769 474 S HN 0.767 nan 8.310 nan 0.000 0.529 475 T N -0.229 114.283 114.554 -0.070 0.000 2.902 475 T HA 0.391 4.741 4.350 0.000 0.000 0.283 475 T C 1.317 176.013 174.700 -0.006 0.000 1.009 475 T CA -0.241 61.831 62.100 -0.046 0.000 1.051 475 T CB 1.663 70.487 68.868 -0.073 0.000 0.999 475 T HN 0.073 nan 8.240 nan 0.000 0.474 476 S N 1.917 117.619 115.700 0.003 0.000 2.380 476 S HA -0.097 4.373 4.470 0.000 0.000 0.229 476 S C 0.961 175.586 174.600 0.042 0.000 1.043 476 S CA 0.882 59.095 58.200 0.022 0.000 1.038 476 S CB -0.865 62.344 63.200 0.015 0.000 0.872 476 S HN 0.821 nan 8.310 nan 0.000 0.456 477 T N 2.987 117.562 114.554 0.036 0.000 2.756 477 T HA 0.439 4.789 4.350 0.000 0.000 0.290 477 T C -0.550 174.198 174.700 0.079 0.000 0.985 477 T CA -0.689 61.450 62.100 0.065 0.000 0.955 477 T CB 0.356 69.249 68.868 0.042 0.000 0.930 477 T HN 0.296 nan 8.240 nan 0.000 0.451 478 F N 3.441 123.386 119.950 -0.008 0.000 2.548 478 F HA 0.249 4.776 4.527 -0.000 0.000 0.403 478 F C 1.437 177.230 175.800 -0.013 0.000 1.004 478 F CA 1.290 59.283 58.000 -0.012 0.000 1.177 478 F CB -0.126 38.873 39.000 -0.002 0.000 0.974 478 F HN 0.891 nan 8.300 nan 0.000 0.541 479 G N 3.650 111.989 108.800 -0.769 0.000 2.203 479 G HA2 -0.387 3.573 3.960 0.000 0.000 0.263 479 G HA3 -0.387 3.573 3.960 0.000 0.000 0.263 479 G C 1.117 175.876 174.900 -0.235 0.000 1.012 479 G CA 0.910 45.661 45.100 -0.582 0.000 0.749 479 G HN 1.276 nan 8.290 nan 0.000 0.512 480 S N -1.237 114.375 115.700 -0.147 0.000 2.402 480 S HA 0.065 4.535 4.470 0.000 0.000 0.229 480 S C 0.857 175.417 174.600 -0.066 0.000 1.021 480 S CA 1.508 59.666 58.200 -0.070 0.000 0.974 480 S CB 0.329 63.505 63.200 -0.039 0.000 0.800 480 S HN 0.694 nan 8.310 nan 0.000 0.484 481 E N 0.590 120.735 120.200 -0.092 0.000 2.580 481 E HA 0.610 4.960 4.350 0.000 0.000 0.248 481 E C -1.271 175.276 176.600 -0.089 0.000 1.018 481 E CA -0.390 55.969 56.400 -0.068 0.000 0.775 481 E CB 1.262 30.928 29.700 -0.056 0.000 1.378 481 E HN 0.499 nan 8.360 nan 0.000 0.401 482 A N 2.496 125.281 122.820 -0.057 0.000 2.340 482 A HA 0.759 5.079 4.320 0.000 0.000 0.331 482 A C -0.410 177.227 177.584 0.089 0.000 1.140 482 A CA -0.482 51.534 52.037 -0.034 0.000 0.801 482 A CB 1.762 20.723 19.000 -0.065 0.000 1.234 482 A HN 0.378 nan 8.150 nan 0.000 0.469 483 T N 2.291 116.906 114.554 0.101 0.000 2.841 483 T HA 0.655 5.005 4.350 0.000 0.000 0.285 483 T C -0.901 173.938 174.700 0.232 0.000 0.991 483 T CA -0.082 62.074 62.100 0.093 0.000 0.966 483 T CB 0.439 69.325 68.868 0.029 0.000 0.962 483 T HN 0.668 nan 8.240 nan 0.000 0.438 484 F N -0.467 119.519 119.950 0.060 0.000 2.629 484 F HA 0.921 5.448 4.527 -0.000 0.000 0.316 484 F C -0.272 175.585 175.800 0.095 0.000 1.081 484 F CA -1.189 56.865 58.000 0.090 0.000 0.954 484 F CB 1.480 40.514 39.000 0.058 0.000 1.337 484 F HN 0.458 nan 8.300 nan 0.000 0.474 485 T N -0.460 114.209 114.554 0.192 0.000 2.896 485 T HA 0.850 5.200 4.350 0.000 0.000 0.297 485 T C -0.514 174.094 174.700 -0.152 0.000 1.108 485 T CA 0.095 62.110 62.100 -0.142 0.000 1.004 485 T CB 1.444 70.339 68.868 0.046 0.000 1.159 485 T HN 1.713 nan 8.240 nan 0.000 0.499 486 G N 1.398 109.894 108.800 -0.506 0.000 2.336 486 G HA2 0.494 4.454 3.960 0.000 0.000 0.286 486 G HA3 0.494 4.454 3.960 0.000 0.000 0.286 486 G C -1.118 173.788 174.900 0.009 0.000 1.269 486 G CA 0.018 45.092 45.100 -0.044 0.000 0.873 486 G HN 1.371 nan 8.290 nan 0.000 0.494 487 S N -1.096 114.823 115.700 0.366 0.000 2.599 487 S HA 0.901 5.371 4.470 0.000 0.000 0.294 487 S C -0.952 174.011 174.600 0.606 0.000 1.094 487 S CA -0.476 57.995 58.200 0.451 0.000 0.931 487 S CB 2.171 65.554 63.200 0.305 0.000 1.093 487 S HN 2.180 nan 8.310 nan 0.000 0.488 488 Y N -0.621 119.849 120.300 0.283 0.000 2.609 488 Y HA 0.648 5.198 4.550 0.000 0.000 0.336 488 Y C -2.136 173.827 175.900 0.105 0.000 1.129 488 Y CA -1.827 56.372 58.100 0.165 0.000 1.040 488 Y CB 0.590 39.086 38.460 0.061 0.000 1.310 488 Y HN 0.687 nan 8.280 nan 0.000 0.460 489 L N 3.707 124.861 121.223 -0.115 0.000 2.268 489 L HA 0.296 4.636 4.340 0.000 0.000 0.289 489 L C 0.120 176.752 176.870 -0.397 0.000 1.064 489 L CA -0.405 54.305 54.840 -0.217 0.000 0.824 489 L CB 0.366 42.416 42.059 -0.016 0.000 1.202 489 L HN 0.624 nan 8.230 nan 0.000 0.433 490 N N 2.671 120.998 118.700 -0.622 0.000 2.671 490 N HA 0.133 4.873 4.740 0.000 0.000 0.274 490 N C -0.689 174.718 175.510 -0.172 0.000 1.188 490 N CA 0.400 53.171 53.050 -0.466 0.000 1.065 490 N CB 0.170 38.379 38.487 -0.463 0.000 1.415 490 N HN 0.618 nan 8.380 nan 0.000 0.511 491 T N -0.355 114.144 114.554 -0.092 0.000 2.775 491 T HA 0.492 4.842 4.350 0.000 0.000 0.320 491 T C 0.419 175.109 174.700 -0.018 0.000 1.597 491 T CA -0.062 62.011 62.100 -0.045 0.000 1.022 491 T CB 0.742 69.585 68.868 -0.041 0.000 1.485 491 T HN 0.201 nan 8.240 nan 0.000 0.494 492 A N 0.581 123.394 122.820 -0.011 0.000 1.935 492 A HA 0.183 4.503 4.320 0.000 0.000 0.214 492 A C 1.814 179.397 177.584 -0.002 0.000 1.178 492 A CA 2.056 54.090 52.037 -0.007 0.000 0.640 492 A CB -0.426 18.570 19.000 -0.006 0.000 0.825 492 A HN 1.011 nan 8.150 nan 0.000 0.447 493 T N -4.225 110.330 114.554 0.001 0.000 3.009 493 T HA 0.295 4.645 4.350 0.000 0.000 0.267 493 T C 0.438 175.148 174.700 0.017 0.000 0.942 493 T CA -0.268 61.837 62.100 0.008 0.000 0.883 493 T CB 0.034 68.905 68.868 0.005 0.000 1.192 493 T HN 0.359 nan 8.240 nan 0.000 0.524 494 Q N 0.999 120.807 119.800 0.014 0.000 2.235 494 Q HA 0.512 4.852 4.340 0.000 0.000 0.256 494 Q C -0.438 175.583 176.000 0.034 0.000 0.951 494 Q CA -0.822 54.995 55.803 0.023 0.000 0.890 494 Q CB 1.846 30.590 28.738 0.012 0.000 1.279 494 Q HN 0.171 nan 8.270 nan 0.000 0.444 495 R N 1.836 122.372 120.500 0.059 0.000 3.701 495 R HA 0.278 4.618 4.340 0.000 0.000 0.210 495 R C -0.804 175.536 176.300 0.066 0.000 1.598 495 R CA 0.007 56.159 56.100 0.086 0.000 1.427 495 R CB -0.353 30.029 30.300 0.137 0.000 1.339 495 R HN 0.377 nan 8.270 nan 0.000 0.720 496 I N 0.445 121.030 120.570 0.025 0.000 3.074 496 I HA 0.204 4.374 4.170 0.000 0.000 0.310 496 I C -0.642 175.451 176.117 -0.039 0.000 1.153 496 I CA -0.690 60.611 61.300 0.002 0.000 0.993 496 I CB 1.845 39.839 38.000 -0.010 0.000 1.237 496 I HN 0.392 nan 8.210 nan 0.000 0.443 497 N N 1.947 120.622 118.700 -0.042 0.000 2.708 497 N HA -0.110 4.630 4.740 0.000 0.000 0.255 497 N C -2.487 172.957 175.510 -0.110 0.000 1.046 497 N CA 0.186 53.188 53.050 -0.081 0.000 0.715 497 N CB -1.516 36.901 38.487 -0.116 0.000 0.895 497 N HN 0.314 nan 8.380 nan 0.000 0.545 498 P HA 0.049 nan 4.420 nan 0.000 0.264 498 P C -0.389 176.876 177.300 -0.058 0.000 1.193 498 P CA 0.669 63.760 63.100 -0.015 0.000 0.763 498 P CB 0.707 32.465 31.700 0.098 0.000 0.810 499 T N 4.075 118.574 114.554 -0.092 0.000 2.928 499 T HA 0.421 4.771 4.350 0.000 0.000 0.296 499 T C 0.131 174.918 174.700 0.145 0.000 1.000 499 T CA -0.480 61.605 62.100 -0.024 0.000 0.989 499 T CB 0.969 69.792 68.868 -0.075 0.000 1.005 499 T HN 0.285 nan 8.240 nan 0.000 0.442 500 M N 3.692 123.275 119.600 -0.029 0.000 2.216 500 M HA 0.588 5.068 4.480 0.000 0.000 0.356 500 M C -0.667 175.627 176.300 -0.010 0.000 1.205 500 M CA -0.481 54.706 55.300 -0.189 0.000 1.122 500 M CB 0.646 32.834 32.600 -0.686 0.000 1.571 500 M HN 0.823 nan 8.290 nan 0.000 0.464 501 Y N 0.769 121.043 120.300 -0.043 0.000 2.689 501 Y HA 0.881 5.431 4.550 0.000 0.000 0.333 501 Y C -1.763 174.115 175.900 -0.036 0.000 1.190 501 Y CA -1.570 56.504 58.100 -0.043 0.000 1.063 501 Y CB 1.299 39.722 38.460 -0.060 0.000 1.294 501 Y HN 0.559 nan 8.280 nan 0.000 0.466 502 I N 1.721 122.316 120.570 0.042 0.000 2.619 502 I HA 0.842 5.012 4.170 0.000 0.000 0.292 502 I C -0.866 175.249 176.117 -0.005 0.000 1.100 502 I CA -1.094 60.171 61.300 -0.058 0.000 1.043 502 I CB 2.120 40.079 38.000 -0.069 0.000 1.239 502 I HN 0.974 nan 8.210 nan 0.000 0.420 503 A N 4.150 126.819 122.820 -0.251 0.000 2.606 503 A HA 0.769 5.089 4.320 0.000 0.000 0.293 503 A C -1.348 175.886 177.584 -0.583 0.000 1.082 503 A CA -0.709 51.067 52.037 -0.436 0.000 0.685 503 A CB 1.834 20.491 19.000 -0.572 0.000 1.284 503 A HN 0.771 nan 8.150 nan 0.000 0.408 504 N N -0.100 118.417 118.700 -0.304 0.000 2.823 504 N HA 0.285 5.025 4.740 0.000 0.000 0.324 504 N C 0.177 175.706 175.510 0.032 0.000 1.336 504 N CA -0.274 52.710 53.050 -0.110 0.000 0.861 504 N CB -0.259 38.192 38.487 -0.059 0.000 1.157 504 N HN 0.449 nan 8.380 nan 0.000 0.585 505 N N -1.764 117.003 118.700 0.112 0.000 2.289 505 N HA -0.105 4.635 4.740 0.000 0.000 0.184 505 N C 0.833 176.395 175.510 0.087 0.000 1.016 505 N CA 1.985 55.123 53.050 0.147 0.000 0.872 505 N CB -0.319 38.216 38.487 0.080 0.000 0.973 505 N HN 0.842 nan 8.380 nan 0.000 0.433 506 T N -4.682 109.887 114.554 0.025 0.000 2.959 506 T HA 0.267 4.617 4.350 0.000 0.000 0.254 506 T C 0.357 175.032 174.700 -0.040 0.000 1.003 506 T CA -0.260 61.842 62.100 0.003 0.000 0.950 506 T CB 0.532 69.403 68.868 0.004 0.000 1.090 506 T HN -0.025 nan 8.240 nan 0.000 0.503 507 Q N -0.097 119.660 119.800 -0.072 0.000 2.511 507 Q HA 0.597 4.937 4.340 0.000 0.000 0.289 507 Q C -1.565 174.338 176.000 -0.161 0.000 1.021 507 Q CA -0.908 54.832 55.803 -0.105 0.000 0.785 507 Q CB 2.694 31.386 28.738 -0.076 0.000 1.472 507 Q HN 0.268 nan 8.270 nan 0.000 0.411 508 I N 3.024 123.494 120.570 -0.167 0.000 2.297 508 I HA 0.170 4.340 4.170 0.000 0.000 0.291 508 I C 1.101 177.156 176.117 -0.104 0.000 1.033 508 I CA -0.056 61.138 61.300 -0.176 0.000 1.253 508 I CB 0.664 38.543 38.000 -0.202 0.000 1.396 508 I HN 0.664 nan 8.210 nan 0.000 0.476 509 I N 1.892 122.405 120.570 -0.095 0.000 3.728 509 I HA 0.240 4.410 4.170 0.000 0.000 0.307 509 I C 0.560 176.642 176.117 -0.057 0.000 1.276 509 I CA 0.336 61.592 61.300 -0.075 0.000 1.285 509 I CB 0.359 38.308 38.000 -0.084 0.000 1.038 509 I HN 0.464 nan 8.210 nan 0.000 0.445 510 S N 0.591 116.267 115.700 -0.039 0.000 2.560 510 S HA 0.607 5.077 4.470 0.000 0.000 0.283 510 S C -0.770 173.837 174.600 0.012 0.000 1.141 510 S CA 0.006 58.190 58.200 -0.027 0.000 0.902 510 S CB 1.421 64.592 63.200 -0.047 0.000 1.104 510 S HN 0.588 nan 8.310 nan 0.000 0.454 511 S N 3.391 119.096 115.700 0.008 0.000 2.552 511 S HA 0.693 5.163 4.470 0.000 0.000 0.272 511 S C -1.676 172.923 174.600 -0.001 0.000 1.150 511 S CA -0.716 57.509 58.200 0.043 0.000 0.849 511 S CB 1.843 65.107 63.200 0.107 0.000 1.113 511 S HN 0.839 nan 8.310 nan 0.000 0.458 512 Q N 1.321 121.110 119.800 -0.020 0.000 2.309 512 Q HA 0.306 4.646 4.340 0.000 0.000 0.254 512 Q C -1.297 174.668 176.000 -0.059 0.000 0.938 512 Q CA -0.238 55.534 55.803 -0.052 0.000 0.789 512 Q CB 1.902 30.590 28.738 -0.083 0.000 1.313 512 Q HN 0.848 nan 8.270 nan 0.000 0.438 513 Q N 2.987 122.756 119.800 -0.052 0.000 2.394 513 Q HA 0.234 4.574 4.340 0.000 0.000 0.248 513 Q C -1.372 174.591 176.000 -0.061 0.000 0.992 513 Q CA -0.133 55.633 55.803 -0.062 0.000 0.888 513 Q CB 0.686 29.377 28.738 -0.079 0.000 1.257 513 Q HN 0.567 nan 8.270 nan 0.000 0.462 514 F N 2.984 122.822 119.950 -0.187 0.000 2.436 514 F HA 0.568 5.095 4.527 -0.000 0.000 0.340 514 F C 0.376 176.108 175.800 -0.113 0.000 1.113 514 F CA 0.929 58.807 58.000 -0.202 0.000 1.022 514 F CB 0.931 39.727 39.000 -0.340 0.000 1.128 514 F HN 0.813 nan 8.300 nan 0.000 0.466 515 G N 3.282 111.347 108.800 -1.224 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 -0.742 173.933 174.900 -0.375 0.000 1.381 515 G CA -0.521 44.087 45.100 -0.822 0.000 0.867 515 G HN 1.354 nan 8.290 nan 0.000 0.552 516 S N -0.664 114.884 115.700 -0.253 0.000 2.632 516 S HA 0.701 5.171 4.470 0.000 0.000 0.271 516 S C 0.655 175.182 174.600 -0.121 0.000 1.260 516 S CA 0.264 58.368 58.200 -0.160 0.000 1.010 516 S CB 1.645 64.771 63.200 -0.123 0.000 0.965 516 S HN 1.590 nan 8.310 nan 0.000 0.534 517 S N 0.938 116.582 115.700 -0.094 0.000 2.558 517 S HA 0.448 4.918 4.470 0.000 0.000 0.293 517 S C 1.475 176.039 174.600 -0.060 0.000 1.292 517 S CA 0.619 58.774 58.200 -0.074 0.000 1.063 517 S CB 0.017 63.179 63.200 -0.063 0.000 0.831 517 S HN 1.665 nan 8.310 nan 0.000 0.499 518 G N 1.852 110.622 108.800 -0.050 0.000 2.232 518 G HA2 -0.247 3.713 3.960 0.000 0.000 0.226 518 G HA3 -0.247 3.713 3.960 0.000 0.000 0.226 518 G C 0.066 174.946 174.900 -0.032 0.000 0.996 518 G CA 0.113 45.190 45.100 -0.038 0.000 0.626 518 G HN 0.735 nan 8.290 nan 0.000 0.509 519 Q N 2.195 121.973 119.800 -0.037 0.000 2.239 519 Q HA 0.395 4.735 4.340 0.000 0.000 0.286 519 Q C 0.328 176.335 176.000 0.011 0.000 1.102 519 Q CA 0.601 56.394 55.803 -0.017 0.000 0.936 519 Q CB 0.040 28.768 28.738 -0.017 0.000 1.127 519 Q HN 0.570 nan 8.270 nan 0.000 0.380 520 E N 1.991 122.194 120.200 0.005 0.000 2.331 520 E HA 0.559 4.909 4.350 0.000 0.000 0.272 520 E C -0.971 175.676 176.600 0.078 0.000 1.036 520 E CA 0.010 56.424 56.400 0.024 0.000 0.864 520 E CB 1.079 30.762 29.700 -0.028 0.000 1.035 520 E HN 0.761 nan 8.360 nan 0.000 0.408 521 A N 1.355 124.268 122.820 0.155 0.000 2.529 521 A HA 0.849 5.169 4.320 0.000 0.000 0.296 521 A C -1.022 176.755 177.584 0.321 0.000 1.205 521 A CA 0.171 52.359 52.037 0.252 0.000 0.671 521 A CB 1.324 20.449 19.000 0.208 0.000 1.301 521 A HN 0.644 nan 8.150 nan 0.000 0.450 522 A N -1.333 121.684 122.820 0.328 0.000 2.497 522 A HA 0.698 5.018 4.320 0.000 0.000 0.186 522 A C -0.890 176.950 177.584 0.426 0.000 1.242 522 A CA -0.117 52.096 52.037 0.293 0.000 1.625 522 A CB -0.343 18.687 19.000 0.050 0.000 2.054 522 A HN 0.871 nan 8.150 nan 0.000 0.753 523 Y N 0.530 120.935 120.300 0.176 0.000 2.357 523 Y HA 0.494 5.044 4.550 0.000 0.000 0.340 523 Y C 0.947 177.039 175.900 0.320 0.000 1.260 523 Y CA -0.589 57.674 58.100 0.271 0.000 1.425 523 Y CB 0.200 38.800 38.460 0.232 0.000 1.326 523 Y HN 0.637 nan 8.280 nan 0.000 0.580 524 G N 1.382 110.516 108.800 0.555 0.000 2.739 524 G HA2 0.451 4.411 3.960 0.000 0.000 0.291 524 G HA3 0.451 4.411 3.960 0.000 0.000 0.291 524 G C -1.991 173.182 174.900 0.455 0.000 1.478 524 G CA -0.556 44.817 45.100 0.455 0.000 1.062 524 G HN 0.624 nan 8.290 nan 0.000 0.532 525 H N 0.784 120.045 119.070 0.319 0.000 2.511 525 H HA 0.609 5.165 4.556 0.000 0.000 0.328 525 H C -0.014 175.431 175.328 0.195 0.000 1.044 525 H CA -0.141 56.099 56.048 0.319 0.000 1.212 525 H CB 1.861 31.792 29.762 0.282 0.000 1.428 525 H HN 0.374 nan 8.280 nan 0.000 0.483 526 T N 3.065 117.782 114.554 0.272 0.000 2.855 526 T HA 0.592 4.942 4.350 0.000 0.000 0.281 526 T C -0.296 174.510 174.700 0.177 0.000 1.007 526 T CA -0.661 61.481 62.100 0.070 0.000 1.009 526 T CB 1.227 70.088 68.868 -0.011 0.000 0.983 526 T HN 0.559 nan 8.240 nan 0.000 0.455 527 T N 1.749 116.249 114.554 -0.089 0.000 2.993 527 T HA 0.524 4.874 4.350 0.000 0.000 0.312 527 T C -0.820 173.552 174.700 -0.547 0.000 1.115 527 T CA -0.526 61.467 62.100 -0.178 0.000 1.027 527 T CB 0.752 69.732 68.868 0.186 0.000 1.116 527 T HN 0.750 nan 8.240 nan 0.000 0.464 528 c N 3.089 120.919 118.600 -1.284 0.000 2.707 528 c HA 1.003 5.573 4.570 0.000 0.000 0.313 528 c C -0.874 173.000 174.090 -0.359 0.000 1.209 528 c CA -1.053 54.769 56.329 -0.845 0.000 1.635 528 c CB 0.299 42.288 42.510 -0.868 0.000 2.206 528 c HN 0.958 nan 8.230 nan 0.000 0.485 529 F N -0.796 118.966 119.950 -0.312 0.000 2.711 529 F HA 0.798 5.325 4.527 -0.000 0.000 0.313 529 F C -0.858 174.706 175.800 -0.392 0.000 1.141 529 F CA -1.237 56.629 58.000 -0.223 0.000 0.941 529 F CB 1.156 40.136 39.000 -0.034 0.000 1.349 529 F HN 0.630 nan 8.300 nan 0.000 0.464 530 R N 0.882 121.280 120.500 -0.171 0.000 2.670 530 R HA 0.323 4.663 4.340 0.000 0.000 0.289 530 R C -1.665 174.785 176.300 0.248 0.000 0.965 530 R CA -0.596 55.419 56.100 -0.141 0.000 0.899 530 R CB 1.740 31.846 30.300 -0.323 0.000 1.173 530 R HN 0.874 nan 8.270 nan 0.000 0.456 531 D N 2.971 123.533 120.400 0.269 0.000 2.393 531 D HA 0.019 4.659 4.640 0.000 0.000 0.232 531 D C 0.685 177.040 176.300 0.091 0.000 1.192 531 D CA 0.021 54.168 54.000 0.246 0.000 0.882 531 D CB 1.454 42.462 40.800 0.347 0.000 1.038 531 D HN 0.709 nan 8.370 nan 0.000 0.499 532 T N 0.158 114.736 114.554 0.040 0.000 3.163 532 T HA 0.025 4.375 4.350 0.000 0.000 0.260 532 T C 1.616 176.321 174.700 0.007 0.000 1.156 532 T CA 0.503 62.621 62.100 0.030 0.000 1.072 532 T CB 0.274 69.163 68.868 0.035 0.000 0.937 532 T HN 0.313 nan 8.240 nan 0.000 0.528 533 G N 1.904 110.693 108.800 -0.019 0.000 2.447 533 G HA2 -0.040 3.920 3.960 0.000 0.000 0.211 533 G HA3 -0.040 3.920 3.960 0.000 0.000 0.211 533 G C 1.803 176.716 174.900 0.021 0.000 1.184 533 G CA 0.620 45.710 45.100 -0.017 0.000 0.813 533 G HN 0.656 nan 8.290 nan 0.000 0.540 534 S N -0.575 115.157 115.700 0.052 0.000 2.524 534 S HA 0.214 4.684 4.470 0.000 0.000 0.216 534 S C 0.974 175.617 174.600 0.072 0.000 0.987 534 S CA 0.630 58.875 58.200 0.076 0.000 0.909 534 S CB 0.415 63.691 63.200 0.127 0.000 0.781 534 S HN 0.837 nan 8.310 nan 0.000 0.521 535 V N 1.842 121.797 119.914 0.067 0.000 5.497 535 V HA -0.201 3.919 4.120 0.000 0.000 0.307 535 V C -0.213 175.906 176.094 0.041 0.000 0.438 535 V CA 1.559 63.890 62.300 0.052 0.000 0.707 535 V CB -2.730 29.125 31.823 0.053 0.000 0.502 535 V HN 0.863 nan 8.190 nan 0.000 1.344 536 M N -2.092 117.529 119.600 0.034 0.000 2.530 536 M HA 0.893 5.373 4.480 0.000 0.000 0.307 536 M C -0.708 175.485 176.300 -0.179 0.000 1.161 536 M CA -0.960 54.301 55.300 -0.065 0.000 0.903 536 M CB 2.364 34.881 32.600 -0.138 0.000 1.711 536 M HN -0.134 nan 8.290 nan 0.000 0.451 537 V N 2.289 122.047 119.914 -0.260 0.000 2.509 537 V HA 0.407 4.527 4.120 0.000 0.000 0.284 537 V C -1.183 174.575 176.094 -0.559 0.000 1.047 537 V CA -0.180 61.891 62.300 -0.382 0.000 0.952 537 V CB 0.940 32.621 31.823 -0.236 0.000 0.988 537 V HN 0.689 nan 8.190 nan 0.000 0.469 538 Y N 2.204 122.162 120.300 -0.570 0.000 2.409 538 Y HA 0.599 5.149 4.550 0.000 0.000 0.343 538 Y C 0.142 175.624 175.900 -0.696 0.000 0.973 538 Y CA -0.543 57.225 58.100 -0.553 0.000 1.064 538 Y CB 1.942 40.030 38.460 -0.620 0.000 1.207 538 Y HN 0.553 nan 8.280 nan 0.000 0.452 539 c N 4.303 122.755 118.600 -0.247 0.000 2.507 539 c HA 0.619 5.189 4.570 0.000 0.000 0.319 539 c C -0.211 173.721 174.090 -0.263 0.000 1.208 539 c CA -1.139 54.970 56.329 -0.367 0.000 1.619 539 c CB 1.052 43.291 42.510 -0.452 0.000 2.230 539 c HN 0.825 nan 8.230 nan 0.000 0.492 540 I N 2.517 122.889 120.570 -0.330 0.000 2.378 540 I HA 0.473 4.643 4.170 0.000 0.000 0.291 540 I C -1.530 174.370 176.117 -0.361 0.000 0.992 540 I CA -0.369 60.794 61.300 -0.227 0.000 1.154 540 I CB 0.766 38.601 38.000 -0.274 0.000 1.315 540 I HN 0.693 nan 8.210 nan 0.000 0.448 541 Y N 7.587 127.871 120.300 -0.026 0.000 2.587 541 Y HA 0.435 4.985 4.550 -0.000 0.000 0.328 541 Y C 0.066 176.002 175.900 0.060 0.000 0.980 541 Y CA -0.704 57.423 58.100 0.046 0.000 1.272 541 Y CB 0.757 39.253 38.460 0.060 0.000 1.094 541 Y HN 0.370 nan 8.280 nan 0.000 0.503 542 I N 5.643 126.273 120.570 0.101 0.000 2.347 542 I HA 0.202 4.372 4.170 0.000 0.000 0.294 542 I C -0.267 175.958 176.117 0.181 0.000 1.090 542 I CA 0.238 61.551 61.300 0.021 0.000 1.314 542 I CB 0.078 38.041 38.000 -0.063 0.000 1.423 542 I HN 0.460 nan 8.210 nan 0.000 0.503 543 I N 6.264 126.937 120.570 0.173 0.000 2.474 543 I HA 0.260 4.430 4.170 0.000 0.000 0.294 543 I C 0.024 176.245 176.117 0.174 0.000 1.005 543 I CA -0.735 60.709 61.300 0.240 0.000 1.113 543 I CB 1.777 39.965 38.000 0.314 0.000 1.289 543 I HN 0.485 nan 8.210 nan 0.000 0.436 544 E N 6.609 126.933 120.200 0.208 0.000 2.129 544 E HA 0.360 4.710 4.350 0.000 0.000 0.283 544 E C -1.009 175.799 176.600 0.347 0.000 1.080 544 E CA -0.203 56.322 56.400 0.210 0.000 0.867 544 E CB 0.985 30.723 29.700 0.064 0.000 1.056 544 E HN 0.372 nan 8.360 nan 0.000 0.404 545 L N 2.310 123.705 121.223 0.287 0.000 2.317 545 L HA 0.234 4.574 4.340 0.000 0.000 0.281 545 L C 0.406 177.315 176.870 0.065 0.000 1.024 545 L CA -0.698 54.271 54.840 0.215 0.000 0.810 545 L CB 1.873 44.036 42.059 0.173 0.000 1.240 545 L HN 0.409 nan 8.230 nan 0.000 0.427 546 S N 2.027 117.656 115.700 -0.118 0.000 2.488 546 S HA 0.240 4.710 4.470 0.000 0.000 0.278 546 S C 0.038 174.517 174.600 -0.201 0.000 1.259 546 S CA -0.628 57.309 58.200 -0.439 0.000 1.061 546 S CB 0.318 63.294 63.200 -0.374 0.000 0.910 546 S HN 0.650 nan 8.310 nan 0.000 0.491 547 S N 3.449 119.026 115.700 -0.204 0.000 2.578 547 S HA 0.533 5.003 4.470 0.000 0.000 0.301 547 S C 0.869 175.411 174.600 -0.096 0.000 1.091 547 S CA -0.142 58.000 58.200 -0.096 0.000 1.032 547 S CB 1.672 64.837 63.200 -0.059 0.000 1.064 547 S HN 0.862 nan 8.310 nan 0.000 0.508 548 S N 1.598 117.263 115.700 -0.058 0.000 2.492 548 S HA 0.109 4.579 4.470 0.000 0.000 0.218 548 S C 1.269 175.846 174.600 -0.039 0.000 1.016 548 S CA -0.090 58.080 58.200 -0.051 0.000 0.916 548 S CB -0.504 62.672 63.200 -0.039 0.000 0.791 548 S HN 0.540 nan 8.310 nan 0.000 0.513 549 L N 0.815 122.019 121.223 -0.032 0.000 2.208 549 L HA 0.490 4.830 4.340 0.000 0.000 0.196 549 L C 0.004 176.858 176.870 -0.026 0.000 1.130 549 L CA 1.151 55.975 54.840 -0.025 0.000 0.791 549 L CB -0.251 41.797 42.059 -0.019 0.000 0.969 549 L HN 0.260 nan 8.230 nan 0.000 0.468 550 L N 0.562 121.768 121.223 -0.029 0.000 2.313 550 L HA 0.566 4.906 4.340 0.000 0.000 0.283 550 L C 0.150 177.002 176.870 -0.030 0.000 1.013 550 L CA 0.219 55.042 54.840 -0.028 0.000 0.816 550 L CB 0.021 42.063 42.059 -0.029 0.000 1.236 550 L HN 0.526 nan 8.230 nan 0.000 0.419 551 G N 3.425 112.212 108.800 -0.022 0.000 2.819 551 G HA2 -0.217 3.743 3.960 0.000 0.000 0.682 551 G HA3 -0.217 3.743 3.960 0.000 0.000 0.682 551 G C 0.525 175.410 174.900 -0.025 0.000 1.481 551 G CA -0.362 44.732 45.100 -0.011 0.000 0.904 551 G HN 0.608 nan 8.290 nan 0.000 0.563 552 Q N -0.620 119.187 119.800 0.011 0.000 2.020 552 Q HA 0.035 4.375 4.340 0.000 0.000 0.202 552 Q C 0.889 176.747 176.000 -0.236 0.000 0.982 552 Q CA 1.601 57.376 55.803 -0.047 0.000 0.838 552 Q CB 0.071 28.910 28.738 0.168 0.000 0.899 552 Q HN 0.512 nan 8.270 nan 0.000 0.423 553 F N -0.678 119.242 119.950 -0.050 0.000 2.593 553 F HA 0.395 4.922 4.527 -0.000 0.000 0.320 553 F C 0.045 175.800 175.800 -0.074 0.000 1.060 553 F CA -0.949 57.019 58.000 -0.053 0.000 0.940 553 F CB 1.671 40.631 39.000 -0.067 0.000 1.268 553 F HN -0.214 nan 8.300 nan 0.000 0.475 554 Q N 2.457 122.326 119.800 0.116 0.000 2.320 554 Q HA 0.513 4.853 4.340 0.000 0.000 0.268 554 Q C -1.431 174.564 176.000 -0.009 0.000 1.023 554 Q CA -0.411 55.394 55.803 0.004 0.000 0.744 554 Q CB 1.317 30.030 28.738 -0.041 0.000 1.246 554 Q HN 0.670 nan 8.270 nan 0.000 0.462 555 I N 4.286 124.826 120.570 -0.051 0.000 2.379 555 I HA 0.179 4.349 4.170 0.000 0.000 0.290 555 I C -0.485 175.491 176.117 -0.234 0.000 1.063 555 I CA -0.413 60.843 61.300 -0.074 0.000 1.351 555 I CB 1.019 39.015 38.000 -0.007 0.000 1.410 555 I HN 0.329 nan 8.210 nan 0.000 0.505 556 V N 9.183 128.905 119.914 -0.320 0.000 2.459 556 V HA 0.358 4.478 4.120 0.000 0.000 0.295 556 V C -2.087 173.610 176.094 -0.660 0.000 1.029 556 V CA -1.481 60.449 62.300 -0.617 0.000 0.874 556 V CB 1.832 33.053 31.823 -1.003 0.000 0.985 556 V HN 0.586 nan 8.190 nan 0.000 0.438 557 P HA 0.311 nan 4.420 nan 0.000 0.219 557 P C -0.590 176.441 177.300 -0.449 0.000 1.847 557 P CA -0.414 62.304 63.100 -0.637 0.000 1.110 557 P CB -0.095 31.017 31.700 -0.981 0.000 1.839 558 F N 2.557 122.375 119.950 -0.220 0.000 2.563 558 F HA 0.203 4.730 4.527 0.000 0.000 0.363 558 F C 1.311 177.084 175.800 -0.046 0.000 1.123 558 F CA 0.309 58.220 58.000 -0.149 0.000 1.307 558 F CB 0.566 39.478 39.000 -0.147 0.000 1.115 558 F HN 0.186 nan 8.300 nan 0.000 0.592 559 I N 4.148 124.813 120.570 0.158 0.000 2.619 559 I HA 0.603 4.773 4.170 0.000 0.000 0.292 559 I C -0.994 175.187 176.117 0.106 0.000 1.100 559 I CA -0.654 60.724 61.300 0.130 0.000 1.043 559 I CB 1.650 39.690 38.000 0.066 0.000 1.239 559 I HN 0.843 nan 8.210 nan 0.000 0.420 560 R N 5.029 125.621 120.500 0.154 0.000 2.766 560 R HA 0.451 4.791 4.340 0.000 0.000 0.270 560 R C -1.798 174.530 176.300 0.047 0.000 1.035 560 R CA -0.954 55.191 56.100 0.076 0.000 0.911 560 R CB 1.400 31.712 30.300 0.021 0.000 1.243 560 R HN 0.601 nan 8.270 nan 0.000 0.460 561 Q N 1.027 120.779 119.800 -0.080 0.000 2.226 561 Q HA 0.464 4.804 4.340 0.000 0.000 0.256 561 Q C -1.320 174.591 176.000 -0.148 0.000 0.962 561 Q CA -0.932 54.706 55.803 -0.274 0.000 0.887 561 Q CB 2.179 30.676 28.738 -0.401 0.000 1.282 561 Q HN 0.448 nan 8.270 nan 0.000 0.449 562 V N 3.498 123.325 119.914 -0.145 0.000 2.294 562 V HA 0.242 4.362 4.120 0.000 0.000 0.272 562 V C -0.431 175.623 176.094 -0.066 0.000 1.027 562 V CA -0.460 61.809 62.300 -0.053 0.000 0.823 562 V CB 1.108 32.966 31.823 0.057 0.000 1.030 562 V HN 0.863 nan 8.190 nan 0.000 0.457 563 T N 6.100 120.593 114.554 -0.101 0.000 2.897 563 T HA 0.441 4.791 4.350 0.000 0.000 0.294 563 T C -0.152 174.449 174.700 -0.165 0.000 1.004 563 T CA -0.224 61.817 62.100 -0.099 0.000 1.106 563 T CB 1.329 70.149 68.868 -0.080 0.000 0.949 563 T HN 0.413 nan 8.240 nan 0.000 0.520 564 L N 3.034 124.174 121.223 -0.138 0.000 2.262 564 L HA 0.621 4.961 4.340 0.000 0.000 0.288 564 L C 0.031 176.842 176.870 -0.099 0.000 1.035 564 L CA 0.268 54.994 54.840 -0.190 0.000 0.820 564 L CB 0.563 42.558 42.059 -0.107 0.000 1.204 564 L HN 0.858 nan 8.230 nan 0.000 0.424 565 S N 0.000 115.636 115.700 -0.107 0.000 2.498 565 S HA 0.000 4.470 4.470 0.000 0.000 0.327 565 S CA 0.000 58.160 58.200 -0.067 0.000 1.107 565 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 565 S HN 0.000 nan 8.310 nan 0.000 0.517