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 1z4v_1_A DATA FIRST_RESID 118 DATA SEQUENCE INDNRYINGI NQFYFSIAEG RNLTLGPLLN MPSFIPTATT PEGcTRIPSF DATA SEQUENCE SLTKTHWcYT HNVILNGcQX 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 0.000 176.062 176.117 -0.092 0.000 1.063 118 I CA 0.000 61.214 61.300 -0.143 0.000 1.566 118 I CB 0.000 37.943 38.000 -0.094 0.000 1.214 119 N N 4.281 122.945 118.700 -0.060 0.000 2.441 119 N HA 0.028 4.768 4.740 -0.000 0.000 0.251 119 N C -0.709 174.822 175.510 0.035 0.000 1.242 119 N CA 0.171 53.211 53.050 -0.016 0.000 0.898 119 N CB 0.398 38.883 38.487 -0.003 0.000 1.100 119 N HN 0.570 nan 8.380 nan 0.000 0.443 120 D N 0.563 121.026 120.400 0.104 0.000 2.400 120 D HA -0.048 4.592 4.640 -0.000 0.000 0.238 120 D C 0.684 176.976 176.300 -0.013 0.000 1.157 120 D CA -0.208 53.822 54.000 0.049 0.000 0.889 120 D CB 0.691 41.530 40.800 0.064 0.000 1.199 120 D HN 0.271 nan 8.370 nan 0.000 0.436 121 N N 2.118 120.786 118.700 -0.053 0.000 2.334 121 N HA -0.148 4.592 4.740 -0.000 0.000 0.187 121 N C 1.432 176.868 175.510 -0.123 0.000 1.016 121 N CA 0.697 53.711 53.050 -0.061 0.000 0.879 121 N CB -0.085 38.372 38.487 -0.050 0.000 0.965 121 N HN 0.418 nan 8.380 nan 0.000 0.438 122 R N -0.620 119.710 120.500 -0.284 0.000 2.280 122 R HA -0.049 4.291 4.340 -0.000 0.000 0.207 122 R C 0.592 176.574 176.300 -0.530 0.000 1.043 122 R CA 0.807 56.621 56.100 -0.476 0.000 1.006 122 R CB 0.047 29.896 30.300 -0.752 0.000 0.885 122 R HN 0.431 nan 8.270 nan 0.000 0.467 123 Y N -1.008 119.312 120.300 0.033 0.000 2.452 123 Y HA 0.128 4.678 4.550 -0.000 0.000 0.262 123 Y C 1.899 177.822 175.900 0.038 0.000 1.089 123 Y CA -0.667 57.461 58.100 0.046 0.000 1.262 123 Y CB -0.326 38.107 38.460 -0.044 0.000 1.236 123 Y HN -0.103 nan 8.280 nan 0.000 0.512 124 I N -0.927 119.724 120.570 0.135 0.000 2.399 124 I HA -0.285 3.885 4.170 -0.000 0.000 0.254 124 I C 0.550 176.729 176.117 0.103 0.000 1.146 124 I CA 2.172 63.528 61.300 0.093 0.000 1.412 124 I CB -0.412 37.617 38.000 0.049 0.000 1.076 124 I HN 0.150 nan 8.210 nan 0.000 0.432 125 N N 0.633 119.400 118.700 0.110 0.000 2.235 125 N HA 0.226 4.966 4.740 -0.000 0.000 0.209 125 N C 1.029 176.645 175.510 0.177 0.000 1.122 125 N CA 0.326 53.447 53.050 0.119 0.000 0.845 125 N CB 0.843 39.381 38.487 0.085 0.000 1.004 125 N HN 0.504 nan 8.380 nan 0.000 0.499 126 G N 0.344 109.288 108.800 0.240 0.000 3.993 126 G HA2 0.344 4.304 3.960 -0.000 0.000 0.294 126 G HA3 0.344 4.304 3.960 -0.000 0.000 0.294 126 G C -0.138 175.055 174.900 0.489 0.000 1.043 126 G CA -0.131 45.180 45.100 0.352 0.000 0.839 126 G HN 0.078 nan 8.290 nan 0.000 0.516 127 I N 0.181 120.968 120.570 0.362 0.000 2.493 127 I HA 0.289 4.459 4.170 -0.000 0.000 0.298 127 I C -0.447 175.836 176.117 0.276 0.000 0.998 127 I CA -1.027 60.486 61.300 0.355 0.000 1.137 127 I CB 1.761 39.882 38.000 0.200 0.000 1.310 127 I HN -0.064 nan 8.210 nan 0.000 0.445 128 N N 4.506 123.407 118.700 0.335 0.000 2.671 128 N HA -0.199 4.541 4.740 -0.000 0.000 0.261 128 N C -1.030 174.441 175.510 -0.066 0.000 1.053 128 N CA 0.828 53.956 53.050 0.131 0.000 0.732 128 N CB -0.716 37.796 38.487 0.041 0.000 0.887 128 N HN 0.630 nan 8.380 nan 0.000 0.546 129 Q N -0.963 118.733 119.800 -0.174 0.000 2.565 129 Q HA 0.535 4.875 4.340 -0.000 0.000 0.294 129 Q C -0.894 174.742 176.000 -0.606 0.000 1.005 129 Q CA -0.753 54.841 55.803 -0.348 0.000 0.771 129 Q CB 0.948 29.575 28.738 -0.186 0.000 1.486 129 Q HN 0.121 nan 8.270 nan 0.000 0.422 130 F N 1.432 121.248 119.950 -0.223 0.000 2.421 130 F HA 0.225 4.752 4.527 0.000 0.000 0.358 130 F C 0.328 175.980 175.800 -0.246 0.000 1.115 130 F CA -0.139 57.722 58.000 -0.232 0.000 1.160 130 F CB 0.290 39.189 39.000 -0.169 0.000 1.123 130 F HN 0.557 nan 8.300 nan 0.000 0.508 131 Y N 1.474 121.885 120.300 0.184 0.000 2.475 131 Y HA 0.154 4.704 4.550 0.000 0.000 0.289 131 Y C 0.266 175.891 175.900 -0.457 0.000 1.121 131 Y CA 0.110 58.094 58.100 -0.194 0.000 1.257 131 Y CB -0.259 37.952 38.460 -0.414 0.000 1.026 131 Y HN 0.223 nan 8.280 nan 0.000 0.555 132 F N -1.017 119.098 119.950 0.275 0.000 2.577 132 F HA 0.458 4.985 4.527 -0.000 0.000 0.318 132 F C 0.465 176.317 175.800 0.087 0.000 1.065 132 F CA -1.893 56.203 58.000 0.160 0.000 0.929 132 F CB 1.119 40.198 39.000 0.131 0.000 1.237 132 F HN -0.341 nan 8.300 nan 0.000 0.468 133 S N 1.688 117.549 115.700 0.269 0.000 2.645 133 S HA 0.324 4.794 4.470 -0.000 0.000 0.266 133 S C 1.175 175.828 174.600 0.089 0.000 1.258 133 S CA -0.748 57.528 58.200 0.127 0.000 0.990 133 S CB 0.633 63.894 63.200 0.101 0.000 0.967 133 S HN 0.470 nan 8.310 nan 0.000 0.556 134 I N 1.154 121.737 120.570 0.021 0.000 2.163 134 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 134 I C 2.890 179.006 176.117 -0.002 0.000 1.085 134 I CA 1.968 63.262 61.300 -0.010 0.000 1.347 134 I CB -2.377 35.602 38.000 -0.034 0.000 1.044 134 I HN 0.868 nan 8.210 nan 0.000 0.408 135 A N 0.738 123.564 122.820 0.009 0.000 1.908 135 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 135 A C 2.235 179.817 177.584 -0.004 0.000 1.181 135 A CA 1.752 53.791 52.037 0.003 0.000 0.627 135 A CB -0.684 18.324 19.000 0.013 0.000 0.818 135 A HN 0.528 nan 8.150 nan 0.000 0.445 136 E N -0.713 119.503 120.200 0.026 0.000 2.150 136 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 136 E C 2.048 178.573 176.600 -0.124 0.000 0.985 136 E CA 0.565 56.959 56.400 -0.010 0.000 0.814 136 E CB -0.376 29.399 29.700 0.124 0.000 0.752 136 E HN 0.619 nan 8.360 nan 0.000 0.466 137 G N 1.437 110.197 108.800 -0.067 0.000 2.462 137 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 137 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 137 G C 1.511 176.334 174.900 -0.128 0.000 1.121 137 G CA 0.377 45.411 45.100 -0.110 0.000 0.758 137 G HN 0.131 nan 8.290 nan 0.000 0.559 138 R N -0.070 120.372 120.500 -0.096 0.000 2.189 138 R HA 0.034 4.374 4.340 -0.000 0.000 0.218 138 R C 0.619 176.859 176.300 -0.101 0.000 1.074 138 R CA 0.713 56.761 56.100 -0.087 0.000 0.991 138 R CB 0.045 30.308 30.300 -0.062 0.000 0.883 138 R HN 0.188 nan 8.270 nan 0.000 0.457 139 N N 0.535 119.160 118.700 -0.125 0.000 2.389 139 N HA 0.159 4.899 4.740 -0.000 0.000 0.260 139 N C -0.782 174.622 175.510 -0.176 0.000 1.191 139 N CA 0.099 53.074 53.050 -0.125 0.000 0.885 139 N CB 0.710 39.139 38.487 -0.096 0.000 1.162 139 N HN 0.073 nan 8.380 nan 0.000 0.512 140 L N -0.002 121.094 121.223 -0.210 0.000 2.307 140 L HA 0.477 4.817 4.340 -0.000 0.000 0.282 140 L C 0.640 177.417 176.870 -0.155 0.000 1.051 140 L CA -0.215 54.475 54.840 -0.251 0.000 0.804 140 L CB 1.820 43.677 42.059 -0.337 0.000 1.197 140 L HN -0.098 nan 8.230 nan 0.000 0.431 141 T N 2.947 117.420 114.554 -0.134 0.000 2.896 141 T HA 0.583 4.933 4.350 -0.000 0.000 0.297 141 T C -0.717 173.936 174.700 -0.079 0.000 1.108 141 T CA -0.560 61.485 62.100 -0.091 0.000 1.004 141 T CB 1.186 70.008 68.868 -0.076 0.000 1.159 141 T HN 0.331 nan 8.240 nan 0.000 0.499 142 L N 3.092 124.276 121.223 -0.064 0.000 2.326 142 L HA 0.597 4.937 4.340 -0.000 0.000 0.278 142 L C 1.366 178.200 176.870 -0.061 0.000 1.092 142 L CA -0.606 54.197 54.840 -0.061 0.000 0.810 142 L CB 0.859 42.872 42.059 -0.078 0.000 1.153 142 L HN 0.819 nan 8.230 nan 0.000 0.439 143 G N 2.755 111.520 108.800 -0.059 0.000 2.537 143 G HA2 0.519 4.479 3.960 -0.000 0.000 0.297 143 G HA3 0.519 4.479 3.960 -0.000 0.000 0.297 143 G C -2.606 172.266 174.900 -0.046 0.000 1.310 143 G CA -1.108 43.961 45.100 -0.052 0.000 1.027 143 G HN 0.319 nan 8.290 nan 0.000 0.505 144 P HA 0.206 nan 4.420 nan 0.000 0.272 144 P C -0.107 177.172 177.300 -0.035 0.000 1.240 144 P CA -0.283 62.800 63.100 -0.029 0.000 0.791 144 P CB 0.643 32.334 31.700 -0.014 0.000 0.978 145 L N 1.334 122.545 121.223 -0.019 0.000 2.397 145 L HA 0.222 4.562 4.340 -0.000 0.000 0.271 145 L C 0.336 177.177 176.870 -0.047 0.000 1.148 145 L CA -0.110 54.730 54.840 -0.000 0.000 0.825 145 L CB -0.125 41.976 42.059 0.070 0.000 1.117 145 L HN 0.134 nan 8.230 nan 0.000 0.456 146 L N 2.577 123.720 121.223 -0.134 0.000 2.334 146 L HA 0.398 4.738 4.340 -0.000 0.000 0.273 146 L C -0.266 176.466 176.870 -0.229 0.000 1.013 146 L CA -0.669 53.955 54.840 -0.361 0.000 0.816 146 L CB 1.735 43.249 42.059 -0.908 0.000 1.278 146 L HN 0.498 nan 8.230 nan 0.000 0.431 147 N N 3.645 122.282 118.700 -0.105 0.000 2.426 147 N HA 0.545 5.285 4.740 -0.000 0.000 0.257 147 N C -0.908 174.747 175.510 0.242 0.000 1.002 147 N CA -0.408 52.684 53.050 0.070 0.000 0.942 147 N CB 0.671 39.221 38.487 0.104 0.000 1.112 147 N HN 0.555 nan 8.380 nan 0.000 0.499 148 M N 1.371 121.089 119.600 0.196 0.000 2.619 148 M HA 0.710 5.190 4.480 -0.000 0.000 0.297 148 M C -2.672 173.739 176.300 0.184 0.000 1.229 148 M CA -2.060 53.418 55.300 0.297 0.000 0.860 148 M CB 1.690 34.533 32.600 0.405 0.000 1.741 148 M HN 0.139 nan 8.290 nan 0.000 0.462 149 P HA 0.165 nan 4.420 nan 0.000 0.271 149 P C -0.651 176.762 177.300 0.189 0.000 1.233 149 P CA 0.006 63.210 63.100 0.174 0.000 0.764 149 P CB 0.894 32.715 31.700 0.201 0.000 0.825 150 S N 2.569 118.274 115.700 0.008 0.000 2.549 150 S HA 0.105 4.575 4.470 -0.000 0.000 0.286 150 S C 0.699 175.239 174.600 -0.100 0.000 1.314 150 S CA -0.483 57.615 58.200 -0.170 0.000 1.062 150 S CB -0.222 62.787 63.200 -0.318 0.000 0.865 150 S HN 0.410 nan 8.310 nan 0.000 0.498 151 F N 3.416 123.242 119.950 -0.207 0.000 2.727 151 F HA 0.527 5.054 4.527 -0.000 0.000 0.302 151 F C -0.006 175.655 175.800 -0.232 0.000 1.097 151 F CA -0.746 57.172 58.000 -0.136 0.000 1.330 151 F CB -0.100 38.789 39.000 -0.184 0.000 1.084 151 F HN 0.265 nan 8.300 nan 0.000 0.578 152 I N 4.977 125.064 120.570 -0.806 0.000 2.330 152 I HA 0.287 4.457 4.170 -0.000 0.000 0.289 152 I C -2.067 173.819 176.117 -0.385 0.000 1.001 152 I CA -2.250 58.629 61.300 -0.702 0.000 1.193 152 I CB 1.157 38.605 38.000 -0.920 0.000 1.345 152 I HN -0.123 nan 8.210 nan 0.000 0.461 153 P HA 0.079 nan 4.420 nan 0.000 0.268 153 P C -0.246 176.944 177.300 -0.184 0.000 1.205 153 P CA -0.002 62.892 63.100 -0.345 0.000 0.771 153 P CB 0.948 32.233 31.700 -0.691 0.000 0.858 154 T N 1.174 115.632 114.554 -0.159 0.000 2.927 154 T HA 0.523 4.873 4.350 -0.000 0.000 0.281 154 T C 0.225 174.870 174.700 -0.092 0.000 0.998 154 T CA -0.192 61.840 62.100 -0.114 0.000 1.019 154 T CB 0.905 69.711 68.868 -0.103 0.000 1.061 154 T HN 0.532 nan 8.240 nan 0.000 0.518 155 A N 0.923 123.703 122.820 -0.067 0.000 2.304 155 A HA 0.516 4.836 4.320 -0.000 0.000 0.271 155 A C 1.200 178.760 177.584 -0.040 0.000 1.091 155 A CA -0.283 51.727 52.037 -0.044 0.000 0.812 155 A CB 0.114 19.099 19.000 -0.025 0.000 1.056 155 A HN 0.915 nan 8.150 nan 0.000 0.489 156 T N -2.301 112.236 114.554 -0.028 0.000 3.132 156 T HA 0.360 4.710 4.350 -0.000 0.000 0.274 156 T C 0.315 175.007 174.700 -0.013 0.000 1.011 156 T CA 0.494 62.580 62.100 -0.023 0.000 0.899 156 T CB -0.787 68.068 68.868 -0.023 0.000 1.089 156 T HN 1.095 nan 8.240 nan 0.000 0.543 157 T N -1.720 112.829 114.554 -0.009 0.000 2.906 157 T HA 0.573 4.923 4.350 -0.000 0.000 0.295 157 T C -2.619 172.076 174.700 -0.008 0.000 1.075 157 T CA -1.823 60.275 62.100 -0.004 0.000 1.005 157 T CB 2.102 70.973 68.868 0.005 0.000 1.136 157 T HN -0.345 nan 8.240 nan 0.000 0.498 158 P HA -0.065 nan 4.420 nan 0.000 0.218 158 P C 1.412 178.703 177.300 -0.015 0.000 1.149 158 P CA 0.808 63.898 63.100 -0.016 0.000 0.817 158 P CB 0.188 31.879 31.700 -0.015 0.000 0.785 159 E N -0.137 120.061 120.200 -0.003 0.000 2.447 159 E HA 0.051 4.401 4.350 -0.000 0.000 0.195 159 E C 1.020 177.631 176.600 0.018 0.000 1.028 159 E CA 0.133 56.536 56.400 0.005 0.000 0.876 159 E CB -0.910 28.797 29.700 0.011 0.000 0.885 159 E HN -0.018 nan 8.360 nan 0.000 0.500 160 G N 1.558 110.368 108.800 0.017 0.000 2.321 160 G HA2 0.071 4.031 3.960 -0.000 0.000 0.237 160 G HA3 0.071 4.031 3.960 -0.000 0.000 0.237 160 G C -0.555 174.366 174.900 0.036 0.000 1.282 160 G CA 0.142 45.258 45.100 0.027 0.000 0.886 160 G HN 0.316 nan 8.290 nan 0.000 0.528 161 c N 3.362 121.991 118.600 0.047 0.000 2.340 161 c HA 0.801 5.371 4.570 -0.000 0.000 0.323 161 c C 0.457 174.547 174.090 0.001 0.000 1.260 161 c CA -0.337 56.030 56.329 0.063 0.000 1.464 161 c CB 0.024 42.584 42.510 0.083 0.000 2.156 161 c HN 0.967 nan 8.230 nan 0.000 0.476 162 T N 4.501 119.018 114.554 -0.061 0.000 2.791 162 T HA 0.735 5.085 4.350 -0.000 0.000 0.288 162 T C -0.500 174.008 174.700 -0.320 0.000 0.999 162 T CA -0.594 61.338 62.100 -0.279 0.000 0.952 162 T CB 0.910 69.484 68.868 -0.489 0.000 0.938 162 T HN 0.887 nan 8.240 nan 0.000 0.444 163 R N 1.949 122.259 120.500 -0.317 0.000 2.795 163 R HA 0.529 4.869 4.340 -0.000 0.000 0.268 163 R C -0.778 175.387 176.300 -0.226 0.000 1.041 163 R CA -1.250 54.639 56.100 -0.350 0.000 0.927 163 R CB 1.163 31.205 30.300 -0.430 0.000 1.235 163 R HN 0.572 nan 8.270 nan 0.000 0.463 164 I N 0.145 120.559 120.570 -0.261 0.000 6.963 164 I HA -0.143 4.027 4.170 -0.000 0.000 0.126 164 I C -2.319 173.761 176.117 -0.062 0.000 1.830 164 I CA -0.105 61.127 61.300 -0.113 0.000 2.046 164 I CB -2.242 35.731 38.000 -0.044 0.000 3.568 164 I HN 0.496 nan 8.210 nan 0.000 0.172 165 P HA 0.392 nan 4.420 nan 0.000 0.276 165 P C -0.160 176.909 177.300 -0.385 0.000 1.244 165 P CA -0.185 62.802 63.100 -0.188 0.000 0.801 165 P CB 2.186 33.863 31.700 -0.038 0.000 1.006 166 S N 0.985 116.497 115.700 -0.314 0.000 2.575 166 S HA 0.661 5.131 4.470 -0.000 0.000 0.278 166 S C -1.900 172.754 174.600 0.090 0.000 1.139 166 S CA -0.489 57.645 58.200 -0.110 0.000 0.954 166 S CB 0.225 63.424 63.200 -0.002 0.000 1.054 166 S HN 0.348 nan 8.310 nan 0.000 0.483 167 F N 3.483 123.489 119.950 0.092 0.000 2.561 167 F HA 0.708 5.235 4.527 -0.000 0.000 0.313 167 F C -0.645 175.283 175.800 0.213 0.000 1.126 167 F CA -0.274 57.862 58.000 0.228 0.000 0.918 167 F CB 2.038 41.214 39.000 0.293 0.000 1.199 167 F HN 0.467 nan 8.300 nan 0.000 0.444 168 S N 6.678 122.098 115.700 -0.467 0.000 2.561 168 S HA 0.784 5.254 4.470 -0.000 0.000 0.303 168 S C -2.114 172.140 174.600 -0.577 0.000 1.110 168 S CA -0.531 57.459 58.200 -0.350 0.000 1.034 168 S CB 1.156 64.281 63.200 -0.125 0.000 1.010 168 S HN 0.756 nan 8.310 nan 0.000 0.482 169 L N 4.698 125.692 121.223 -0.381 0.000 2.381 169 L HA 0.800 5.140 4.340 -0.000 0.000 0.274 169 L C -0.241 176.555 176.870 -0.123 0.000 0.988 169 L CA 0.333 55.017 54.840 -0.261 0.000 0.824 169 L CB 1.917 43.897 42.059 -0.131 0.000 1.263 169 L HN 0.718 nan 8.230 nan 0.000 0.410 170 T N 2.335 116.784 114.554 -0.174 0.000 2.858 170 T HA 0.281 4.631 4.350 -0.000 0.000 0.285 170 T C 0.769 175.420 174.700 -0.083 0.000 1.052 170 T CA -0.354 61.678 62.100 -0.113 0.000 1.009 170 T CB 1.868 70.635 68.868 -0.169 0.000 1.241 170 T HN 0.726 nan 8.240 nan 0.000 0.542 171 K N 0.072 120.460 120.400 -0.020 0.000 2.059 171 K HA -0.178 4.142 4.320 -0.000 0.000 0.212 171 K C 1.957 178.552 176.600 -0.008 0.000 1.050 171 K CA 2.614 58.908 56.287 0.011 0.000 0.927 171 K CB -0.450 32.072 32.500 0.037 0.000 0.714 171 K HN 0.714 nan 8.250 nan 0.000 0.447 172 T N -1.763 112.783 114.554 -0.015 0.000 3.009 172 T HA -0.025 4.325 4.350 -0.000 0.000 0.258 172 T C 0.841 175.565 174.700 0.040 0.000 1.063 172 T CA 0.595 62.712 62.100 0.028 0.000 1.139 172 T CB -0.245 68.685 68.868 0.103 0.000 0.890 172 T HN 0.523 nan 8.240 nan 0.000 0.471 173 H N -1.378 117.592 119.070 -0.167 0.000 2.863 173 H HA 0.393 4.949 4.556 0.000 0.000 0.274 173 H C -1.650 173.584 175.328 -0.157 0.000 1.457 173 H CA -1.529 54.367 56.048 -0.253 0.000 1.151 173 H CB -0.275 29.253 29.762 -0.390 0.000 1.844 173 H HN 0.495 nan 8.280 nan 0.000 0.562 174 W N 0.196 121.375 121.300 -0.202 0.000 2.864 174 W HA 0.692 5.352 4.660 -0.000 0.000 0.343 174 W C -1.685 174.772 176.519 -0.102 0.000 1.109 174 W CA -1.143 56.020 57.345 -0.303 0.000 1.192 174 W CB 1.252 30.570 29.460 -0.236 0.000 1.426 174 W HN 0.518 nan 8.180 nan 0.000 0.529 175 c N 2.461 121.184 118.600 0.206 0.000 2.563 175 c HA 0.695 5.265 4.570 -0.000 0.000 0.314 175 c C -0.979 173.415 174.090 0.506 0.000 1.199 175 c CA -0.314 56.184 56.329 0.282 0.000 1.564 175 c CB 0.930 43.496 42.510 0.093 0.000 2.173 175 c HN 0.638 nan 8.230 nan 0.000 0.485 176 Y N 0.874 121.489 120.300 0.524 0.000 2.524 176 Y HA 0.753 5.303 4.550 -0.000 0.000 0.347 176 Y C -0.243 175.857 175.900 0.334 0.000 1.005 176 Y CA -0.100 58.337 58.100 0.561 0.000 1.025 176 Y CB 2.101 41.045 38.460 0.806 0.000 1.275 176 Y HN 0.700 nan 8.280 nan 0.000 0.460 177 T N 4.985 119.032 114.554 -0.845 0.000 2.886 177 T HA 0.503 4.853 4.350 -0.000 0.000 0.330 177 T C -2.095 172.264 174.700 -0.569 0.000 1.488 177 T CA -0.491 61.305 62.100 -0.507 0.000 1.054 177 T CB 0.787 69.549 68.868 -0.177 0.000 1.348 177 T HN 0.993 nan 8.240 nan 0.000 0.489 178 H N 1.748 120.740 119.070 -0.131 0.000 3.014 178 H HA 0.492 5.048 4.556 -0.000 0.000 0.337 178 H C -1.343 174.021 175.328 0.059 0.000 1.320 178 H CA -1.042 54.973 56.048 -0.056 0.000 1.128 178 H CB 1.270 31.041 29.762 0.014 0.000 1.862 178 H HN 0.524 nan 8.280 nan 0.000 0.536 179 N N 1.345 120.186 118.700 0.234 0.000 2.499 179 N HA 0.250 4.990 4.740 -0.000 0.000 0.281 179 N C -1.133 174.474 175.510 0.162 0.000 1.098 179 N CA -0.286 52.857 53.050 0.154 0.000 0.979 179 N CB 1.753 40.257 38.487 0.028 0.000 1.121 179 N HN 0.344 nan 8.380 nan 0.000 0.466 180 V N 5.077 125.111 119.914 0.201 0.000 2.487 180 V HA 0.496 4.616 4.120 -0.000 0.000 0.298 180 V C -0.004 176.159 176.094 0.115 0.000 1.028 180 V CA -0.647 61.765 62.300 0.186 0.000 0.860 180 V CB 1.398 33.441 31.823 0.366 0.000 0.991 180 V HN 0.525 nan 8.190 nan 0.000 0.427 181 I N 4.919 125.534 120.570 0.074 0.000 2.436 181 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 181 I C 0.956 177.111 176.117 0.063 0.000 1.010 181 I CA -0.547 60.786 61.300 0.057 0.000 1.098 181 I CB 2.222 40.245 38.000 0.038 0.000 1.266 181 I HN 0.514 nan 8.210 nan 0.000 0.434 182 L N 4.231 125.492 121.223 0.064 0.000 2.046 182 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 182 L C 0.117 177.014 176.870 0.045 0.000 1.077 182 L CA 1.563 56.438 54.840 0.060 0.000 0.747 182 L CB -0.489 41.605 42.059 0.058 0.000 0.896 182 L HN 0.664 nan 8.230 nan 0.000 0.432 183 N N -0.274 118.450 118.700 0.041 0.000 2.531 183 N HA 0.519 5.259 4.740 -0.000 0.000 0.268 183 N C -0.103 175.431 175.510 0.040 0.000 1.023 183 N CA 0.266 53.337 53.050 0.036 0.000 0.896 183 N CB 1.685 40.191 38.487 0.031 0.000 1.233 183 N HN 0.250 nan 8.380 nan 0.000 0.512 184 G N 0.327 109.152 108.800 0.043 0.000 2.860 184 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.553 184 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.553 184 G C 0.125 175.066 174.900 0.068 0.000 1.439 184 G CA -0.616 44.516 45.100 0.054 0.000 0.879 184 G HN 0.665 nan 8.290 nan 0.000 0.545 185 c N 1.090 119.743 118.600 0.090 0.000 2.435 185 c HA 0.542 5.112 4.570 -0.000 0.000 0.326 185 c C 0.799 174.932 174.090 0.072 0.000 1.328 185 c CA 0.348 56.731 56.329 0.089 0.000 1.741 185 c CB -1.299 41.297 42.510 0.143 0.000 1.998 185 c HN 0.784 nan 8.230 nan 0.000 0.585 192 N N 0.354 119.014 118.700 -0.067 0.000 2.380 192 N HA 0.644 5.384 4.740 -0.000 0.000 0.290 192 N C -1.528 173.947 175.510 -0.058 0.000 1.236 192 N CA -0.483 52.447 53.050 -0.200 0.000 0.780 192 N CB 1.802 39.986 38.487 -0.505 0.000 1.438 192 N HN 0.751 nan 8.380 nan 0.000 0.491 193 Q N 0.718 120.464 119.800 -0.090 0.000 2.310 193 Q HA 0.429 4.769 4.340 -0.000 0.000 0.270 193 Q C -1.761 174.354 176.000 0.191 0.000 1.025 193 Q CA -0.550 55.294 55.803 0.069 0.000 0.772 193 Q CB 0.972 29.698 28.738 -0.019 0.000 1.253 193 Q HN 0.504 nan 8.270 nan 0.000 0.450 194 F N 4.501 124.569 119.950 0.196 0.000 2.410 194 F HA 0.672 5.199 4.527 -0.000 0.000 0.348 194 F C -1.125 174.691 175.800 0.027 0.000 1.106 194 F CA -0.370 57.739 58.000 0.182 0.000 1.163 194 F CB 0.732 39.733 39.000 0.001 0.000 1.129 194 F HN 0.360 nan 8.300 nan 0.000 0.516 195 V N 4.859 124.355 119.914 -0.695 0.000 2.735 195 V HA 0.600 4.720 4.120 -0.000 0.000 0.310 195 V C -0.693 175.031 176.094 -0.616 0.000 1.061 195 V CA -0.672 61.364 62.300 -0.441 0.000 0.913 195 V CB 1.784 33.479 31.823 -0.214 0.000 1.005 195 V HN 0.831 nan 8.190 nan 0.000 0.428 196 S N 4.400 120.040 115.700 -0.100 0.000 2.546 196 S HA 0.911 5.381 4.470 -0.000 0.000 0.274 196 S C -0.976 173.730 174.600 0.177 0.000 1.121 196 S CA -0.671 57.601 58.200 0.120 0.000 0.887 196 S CB 1.584 65.162 63.200 0.630 0.000 1.094 196 S HN 0.847 nan 8.310 nan 0.000 0.474 197 M N 2.162 121.679 119.600 -0.139 0.000 2.470 197 M HA 0.924 5.404 4.480 -0.000 0.000 0.285 197 M C -0.326 175.359 176.300 -1.025 0.000 1.213 197 M CA -0.619 54.343 55.300 -0.563 0.000 0.901 197 M CB 1.552 34.013 32.600 -0.233 0.000 1.718 197 M HN 0.791 nan 8.290 nan 0.000 0.469 198 G N 1.704 109.422 108.800 -1.804 0.000 2.494 198 G HA2 0.654 4.614 3.960 -0.000 0.000 0.308 198 G HA3 0.654 4.614 3.960 -0.000 0.000 0.308 198 G C -1.798 172.364 174.900 -1.230 0.000 1.263 198 G CA -0.562 43.761 45.100 -1.295 0.000 0.840 198 G HN 1.242 nan 8.290 nan 0.000 0.479 199 I N -2.391 117.866 120.570 -0.521 0.000 3.294 199 I HA 0.827 4.997 4.170 -0.000 0.000 0.311 199 I C -1.054 174.994 176.117 -0.115 0.000 1.111 199 I CA -1.615 59.533 61.300 -0.253 0.000 0.976 199 I CB 2.287 40.164 38.000 -0.205 0.000 1.260 199 I HN 0.416 nan 8.210 nan 0.000 0.474 200 I N 1.536 121.941 120.570 -0.275 0.000 2.441 200 I HA 0.462 4.632 4.170 -0.000 0.000 0.295 200 I C -0.683 175.334 176.117 -0.166 0.000 0.994 200 I CA -0.292 60.665 61.300 -0.571 0.000 1.144 200 I CB 1.856 39.158 38.000 -1.163 0.000 1.314 200 I HN 0.753 nan 8.210 nan 0.000 0.445 201 E N 7.103 127.281 120.200 -0.037 0.000 2.356 201 E HA 0.547 4.897 4.350 -0.000 0.000 0.275 201 E C -2.993 173.786 176.600 0.300 0.000 0.904 201 E CA -2.158 54.383 56.400 0.235 0.000 0.757 201 E CB 2.620 32.417 29.700 0.163 0.000 1.232 201 E HN 0.154 nan 8.360 nan 0.000 0.442 202 P HA 0.047 nan 4.420 nan 0.000 0.275 202 P C -0.211 177.133 177.300 0.073 0.000 1.228 202 P CA -0.051 63.153 63.100 0.173 0.000 0.786 202 P CB 1.210 32.950 31.700 0.068 0.000 0.927 203 T N -2.279 112.256 114.554 -0.032 0.000 2.923 203 T HA 0.230 4.580 4.350 -0.000 0.000 0.281 203 T C 1.536 176.139 174.700 -0.161 0.000 0.995 203 T CA -0.161 61.854 62.100 -0.141 0.000 0.985 203 T CB 0.322 68.995 68.868 -0.324 0.000 1.114 203 T HN 0.385 nan 8.240 nan 0.000 0.548 204 S N -0.012 115.595 115.700 -0.156 0.000 2.469 204 S HA -0.028 4.442 4.470 -0.000 0.000 0.238 204 S C 2.035 176.558 174.600 -0.128 0.000 0.998 204 S CA 0.493 58.626 58.200 -0.111 0.000 0.957 204 S CB -0.961 62.187 63.200 -0.086 0.000 0.764 204 S HN 1.021 nan 8.310 nan 0.000 0.514 205 A N 0.483 123.153 122.820 -0.249 0.000 2.208 205 A HA 0.571 4.891 4.320 -0.000 0.000 0.209 205 A C 1.875 179.382 177.584 -0.128 0.000 1.161 205 A CA 0.724 52.630 52.037 -0.219 0.000 0.782 205 A CB -0.964 17.798 19.000 -0.396 0.000 0.816 205 A HN 1.457 nan 8.150 nan 0.000 0.477 206 G N -1.047 107.667 108.800 -0.143 0.000 2.279 206 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.223 206 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.223 206 G C 0.206 175.170 174.900 0.107 0.000 1.015 206 G CA 0.159 45.278 45.100 0.031 0.000 0.621 206 G HN 1.090 nan 8.290 nan 0.000 0.506 207 F N 0.941 120.937 119.950 0.076 0.000 2.380 207 F HA 0.831 5.358 4.527 0.000 0.000 0.321 207 F C -2.108 173.650 175.800 -0.069 0.000 1.103 207 F CA -3.279 54.653 58.000 -0.113 0.000 1.067 207 F CB -0.243 38.723 39.000 -0.057 0.000 1.265 207 F HN -0.040 nan 8.300 nan 0.000 0.517 208 P HA 0.111 nan 4.420 nan 0.000 0.270 208 P C -1.258 176.238 177.300 0.327 0.000 1.223 208 P CA 0.108 63.281 63.100 0.120 0.000 0.785 208 P CB 0.347 32.023 31.700 -0.039 0.000 0.923 209 F N 2.643 122.620 119.950 0.046 0.000 2.579 209 F HA 0.484 5.011 4.527 0.000 0.000 0.325 209 F C -1.715 174.114 175.800 0.049 0.000 1.162 209 F CA -1.677 56.406 58.000 0.138 0.000 0.946 209 F CB 0.510 39.564 39.000 0.091 0.000 1.211 209 F HN 0.044 nan 8.300 nan 0.000 0.447 210 F N 5.984 125.664 119.950 -0.450 0.000 2.439 210 F HA 0.369 4.896 4.527 -0.000 0.000 0.356 210 F C 0.871 176.204 175.800 -0.778 0.000 1.161 210 F CA -0.185 57.463 58.000 -0.586 0.000 1.151 210 F CB 0.355 38.772 39.000 -0.972 0.000 1.222 210 F HN 0.425 nan 8.300 nan 0.000 0.558 211 R N 2.430 122.506 120.500 -0.706 0.000 2.248 211 R HA 0.224 4.564 4.340 -0.000 0.000 0.328 211 R C -0.367 175.938 176.300 0.009 0.000 1.067 211 R CA -0.178 55.579 56.100 -0.572 0.000 0.924 211 R CB 0.391 30.480 30.300 -0.353 0.000 1.013 211 R HN 0.503 nan 8.270 nan 0.000 0.454 212 T N 6.106 120.763 114.554 0.171 0.000 2.814 212 T HA 0.155 4.505 4.350 -0.000 0.000 0.297 212 T C 1.170 175.909 174.700 0.066 0.000 0.956 212 T CA -0.156 62.059 62.100 0.193 0.000 1.123 212 T CB 0.761 69.833 68.868 0.340 0.000 0.902 212 T HN 0.570 nan 8.240 nan 0.000 0.528 213 L N 2.256 123.459 121.223 -0.033 0.000 2.731 213 L HA 0.424 4.764 4.340 -0.000 0.000 0.240 213 L C 0.786 177.685 176.870 0.047 0.000 1.120 213 L CA 0.151 55.019 54.840 0.047 0.000 0.913 213 L CB 0.285 42.408 42.059 0.107 0.000 1.213 213 L HN 0.491 nan 8.230 nan 0.000 0.515 214 K N -0.346 120.056 120.400 0.003 0.000 2.572 214 K HA 0.391 4.711 4.320 -0.000 0.000 0.263 214 K C -1.456 175.129 176.600 -0.025 0.000 0.932 214 K CA -0.287 55.981 56.287 -0.031 0.000 0.838 214 K CB 2.662 35.115 32.500 -0.078 0.000 1.366 214 K HN -0.307 nan 8.250 nan 0.000 0.425 215 T N 2.858 117.393 114.554 -0.032 0.000 2.900 215 T HA 0.719 5.069 4.350 -0.000 0.000 0.295 215 T C -1.600 173.022 174.700 -0.130 0.000 1.044 215 T CA -0.545 61.502 62.100 -0.087 0.000 0.995 215 T CB 0.955 69.871 68.868 0.079 0.000 1.072 215 T HN 0.375 nan 8.240 nan 0.000 0.473 216 L N 2.441 123.510 121.223 -0.257 0.000 2.466 216 L HA 0.575 4.915 4.340 -0.000 0.000 0.258 216 L C -1.649 175.183 176.870 -0.064 0.000 0.973 216 L CA -0.851 53.914 54.840 -0.125 0.000 0.826 216 L CB 1.988 43.973 42.059 -0.123 0.000 1.372 216 L HN 0.616 nan 8.230 nan 0.000 0.409 217 Y N 2.961 123.210 120.300 -0.085 0.000 2.445 217 Y HA 0.534 5.084 4.550 -0.000 0.000 0.332 217 Y C -1.066 174.832 175.900 -0.003 0.000 1.037 217 Y CA -1.096 57.004 58.100 0.000 0.000 1.296 217 Y CB 1.046 39.566 38.460 0.100 0.000 1.099 217 Y HN 0.416 nan 8.280 nan 0.000 0.496 218 L N 5.070 126.212 121.223 -0.134 0.000 2.515 218 L HA 0.256 4.596 4.340 -0.000 0.000 0.281 218 L C 0.368 177.032 176.870 -0.344 0.000 1.131 218 L CA 0.084 54.813 54.840 -0.184 0.000 0.905 218 L CB 0.157 42.140 42.059 -0.127 0.000 1.246 218 L HN 0.556 nan 8.230 nan 0.000 0.463 219 S N 2.710 118.224 115.700 -0.311 0.000 2.745 219 S HA 0.403 4.873 4.470 -0.000 0.000 0.283 219 S C -0.312 174.198 174.600 -0.150 0.000 1.170 219 S CA -0.698 57.313 58.200 -0.315 0.000 1.119 219 S CB 0.428 63.385 63.200 -0.406 0.000 1.035 219 S HN 0.743 nan 8.310 nan 0.000 0.483 220 D N 2.166 122.494 120.400 -0.120 0.000 2.682 220 D HA 0.217 4.857 4.640 -0.000 0.000 0.291 220 D C 1.044 177.307 176.300 -0.062 0.000 1.585 220 D CA 0.392 54.347 54.000 -0.075 0.000 0.845 220 D CB -0.378 40.383 40.800 -0.065 0.000 1.323 220 D HN 0.869 nan 8.370 nan 0.000 0.438 221 G N -0.202 108.557 108.800 -0.069 0.000 2.241 221 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 221 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 221 G C 0.123 174.987 174.900 -0.060 0.000 0.998 221 G CA 0.106 45.173 45.100 -0.054 0.000 0.621 221 G HN 0.468 nan 8.290 nan 0.000 0.519 222 V N 1.831 121.702 119.914 -0.072 0.000 2.427 222 V HA 0.358 4.478 4.120 -0.000 0.000 0.268 222 V C 0.733 176.765 176.094 -0.103 0.000 1.046 222 V CA -0.257 61.997 62.300 -0.078 0.000 0.970 222 V CB 1.305 33.083 31.823 -0.075 0.000 1.001 222 V HN 0.353 nan 8.190 nan 0.000 0.476 223 N N 5.180 123.813 118.700 -0.111 0.000 2.971 223 N HA 0.072 4.812 4.740 -0.000 0.000 0.294 223 N C 0.310 175.683 175.510 -0.228 0.000 1.210 223 N CA 0.079 53.042 53.050 -0.144 0.000 1.157 223 N CB -0.279 38.134 38.487 -0.124 0.000 1.450 223 N HN 0.521 nan 8.380 nan 0.000 0.527 224 R N 2.021 122.397 120.500 -0.206 0.000 2.370 224 R HA 0.174 4.514 4.340 -0.000 0.000 0.309 224 R C 0.055 176.179 176.300 -0.293 0.000 1.059 224 R CA 0.097 56.047 56.100 -0.251 0.000 0.981 224 R CB 0.562 30.763 30.300 -0.165 0.000 0.972 224 R HN 0.183 nan 8.270 nan 0.000 0.437 225 K N 0.387 120.495 120.400 -0.487 0.000 2.395 225 K HA 0.200 4.520 4.320 -0.000 0.000 0.245 225 K C 0.193 176.676 176.600 -0.195 0.000 1.017 225 K CA -0.904 55.145 56.287 -0.396 0.000 0.852 225 K CB 1.865 34.022 32.500 -0.572 0.000 1.311 225 K HN 0.476 nan 8.250 nan 0.000 0.452 226 S N 0.070 115.791 115.700 0.034 0.000 3.521 226 S HA -0.187 4.283 4.470 -0.000 0.000 0.362 226 S C 0.017 174.656 174.600 0.066 0.000 1.044 226 S CA 0.270 58.580 58.200 0.184 0.000 1.091 226 S CB -1.565 61.907 63.200 0.452 0.000 0.908 226 S HN 0.531 nan 8.310 nan 0.000 0.473 227 c N 2.075 120.663 118.600 -0.021 0.000 2.662 227 c HA 0.534 5.104 4.570 -0.000 0.000 0.420 227 c C 1.117 175.198 174.090 -0.014 0.000 1.314 227 c CA -0.420 55.862 56.329 -0.077 0.000 1.963 227 c CB 0.612 43.076 42.510 -0.078 0.000 2.686 227 c HN 0.658 nan 8.230 nan 0.000 0.609 228 S N 1.941 117.626 115.700 -0.024 0.000 2.503 228 S HA 0.717 5.187 4.470 -0.000 0.000 0.301 228 S C -0.580 174.137 174.600 0.195 0.000 1.087 228 S CA -0.357 57.932 58.200 0.148 0.000 1.042 228 S CB 1.120 64.505 63.200 0.308 0.000 1.043 228 S HN 0.670 nan 8.310 nan 0.000 0.489 229 I N 1.829 122.558 120.570 0.265 0.000 2.846 229 I HA 0.714 4.884 4.170 -0.000 0.000 0.307 229 I C -0.660 175.651 176.117 0.323 0.000 1.053 229 I CA -0.182 61.286 61.300 0.281 0.000 1.050 229 I CB 2.047 40.121 38.000 0.124 0.000 1.239 229 I HN 0.622 nan 8.210 nan 0.000 0.439 230 S N 3.138 119.008 115.700 0.282 0.000 2.536 230 S HA 0.453 4.923 4.470 -0.000 0.000 0.271 230 S C -0.717 173.903 174.600 0.034 0.000 1.134 230 S CA -0.403 57.859 58.200 0.105 0.000 0.897 230 S CB 1.810 64.986 63.200 -0.041 0.000 1.094 230 S HN 0.666 nan 8.310 nan 0.000 0.473 231 T N 2.998 117.521 114.554 -0.052 0.000 2.918 231 T HA 0.543 4.893 4.350 -0.000 0.000 0.302 231 T C -0.135 174.503 174.700 -0.104 0.000 1.045 231 T CA 0.139 62.162 62.100 -0.128 0.000 1.114 231 T CB 0.365 69.051 68.868 -0.303 0.000 0.965 231 T HN 1.073 nan 8.240 nan 0.000 0.540 232 V N 2.038 121.887 119.914 -0.108 0.000 3.159 232 V HA 0.679 4.799 4.120 -0.000 0.000 0.308 232 V C -3.054 172.929 176.094 -0.185 0.000 1.190 232 V CA -3.143 58.981 62.300 -0.293 0.000 1.037 232 V CB 1.556 33.228 31.823 -0.252 0.000 1.060 232 V HN 0.502 nan 8.190 nan 0.000 0.437 233 P HA 0.326 nan 4.420 nan 0.000 0.262 233 P C 0.918 178.215 177.300 -0.004 0.000 1.199 233 P CA 2.062 65.089 63.100 -0.122 0.000 0.763 233 P CB 0.545 32.150 31.700 -0.157 0.000 0.790 234 G N 2.132 110.932 108.800 -0.000 0.000 2.148 234 G HA2 0.001 3.961 3.960 -0.000 0.000 0.254 234 G HA3 0.001 3.961 3.960 -0.000 0.000 0.254 234 G C 0.440 175.374 174.900 0.057 0.000 0.981 234 G CA -0.049 45.062 45.100 0.018 0.000 0.670 234 G HN 0.970 nan 8.290 nan 0.000 0.528 235 G N -2.240 106.542 108.800 -0.031 0.000 2.441 235 G HA2 0.520 4.480 3.960 -0.000 0.000 0.225 235 G HA3 0.520 4.480 3.960 -0.000 0.000 0.225 235 G C -1.029 173.901 174.900 0.049 0.000 1.200 235 G CA 0.415 45.483 45.100 -0.053 0.000 0.947 235 G HN 1.239 nan 8.290 nan 0.000 0.484 236 c N -0.015 118.545 118.600 -0.067 0.000 2.698 236 c HA 0.851 5.421 4.570 -0.000 0.000 0.309 236 c C -0.046 174.002 174.090 -0.069 0.000 1.186 236 c CA -0.449 55.867 56.329 -0.020 0.000 1.474 236 c CB 1.077 43.592 42.510 0.007 0.000 2.020 236 c HN 0.854 nan 8.230 nan 0.000 0.474 237 M N 4.025 123.645 119.600 0.033 0.000 2.253 237 M HA 0.667 5.147 4.480 -0.000 0.000 0.314 237 M C -1.193 175.242 176.300 0.226 0.000 1.019 237 M CA -0.312 55.048 55.300 0.100 0.000 0.932 237 M CB 1.336 34.051 32.600 0.191 0.000 1.606 237 M HN 0.928 nan 8.290 nan 0.000 0.430 238 M N 4.815 124.471 119.600 0.093 0.000 2.465 238 M HA 0.448 4.928 4.480 -0.000 0.000 0.316 238 M C -2.247 173.993 176.300 -0.100 0.000 1.121 238 M CA -0.683 54.633 55.300 0.026 0.000 0.934 238 M CB 1.916 34.512 32.600 -0.008 0.000 1.692 238 M HN 0.744 nan 8.290 nan 0.000 0.444 239 Y N 4.764 124.772 120.300 -0.487 0.000 2.350 239 Y HA 0.695 5.245 4.550 -0.000 0.000 0.338 239 Y C -1.678 174.063 175.900 -0.265 0.000 0.961 239 Y CA -1.292 56.482 58.100 -0.542 0.000 1.100 239 Y CB 1.008 38.766 38.460 -1.170 0.000 1.179 239 Y HN 0.878 nan 8.280 nan 0.000 0.454 240 c N 5.857 124.321 118.600 -0.227 0.000 3.213 240 c HA 0.758 5.328 4.570 -0.000 0.000 0.319 240 c C -0.742 173.269 174.090 -0.131 0.000 1.386 240 c CA -1.051 55.115 56.329 -0.271 0.000 1.494 240 c CB 1.289 43.698 42.510 -0.169 0.000 1.905 240 c HN 0.830 nan 8.230 nan 0.000 0.456 241 F N -0.777 119.040 119.950 -0.221 0.000 2.593 241 F HA 0.869 5.396 4.527 0.000 0.000 0.320 241 F C -0.986 174.763 175.800 -0.085 0.000 1.060 241 F CA -1.074 56.847 58.000 -0.131 0.000 0.940 241 F CB 0.792 39.701 39.000 -0.152 0.000 1.268 241 F HN 0.260 nan 8.300 nan 0.000 0.475 242 V N 2.780 122.637 119.914 -0.094 0.000 2.348 242 V HA 0.320 4.440 4.120 -0.000 0.000 0.270 242 V C 0.084 176.071 176.094 -0.179 0.000 1.037 242 V CA -0.452 61.717 62.300 -0.219 0.000 0.872 242 V CB 0.614 32.396 31.823 -0.068 0.000 1.002 242 V HN 0.904 nan 8.190 nan 0.000 0.464 243 S N 3.490 118.949 115.700 -0.402 0.000 2.537 243 S HA 0.428 4.898 4.470 -0.000 0.000 0.275 243 S C 0.920 175.503 174.600 -0.029 0.000 1.272 243 S CA 0.210 58.336 58.200 -0.123 0.000 1.050 243 S CB 0.918 63.992 63.200 -0.210 0.000 0.961 243 S HN 1.016 nan 8.310 nan 0.000 0.496 244 T N 0.944 115.527 114.554 0.049 0.000 3.192 244 T HA 0.315 4.665 4.350 -0.000 0.000 0.295 244 T C -0.199 174.530 174.700 0.048 0.000 0.947 244 T CA -0.479 61.640 62.100 0.032 0.000 0.916 244 T CB -0.297 68.588 68.868 0.030 0.000 1.169 244 T HN 0.792 nan 8.240 nan 0.000 0.540 245 Q N -0.427 119.418 119.800 0.074 0.000 2.702 245 Q HA 0.536 4.876 4.340 -0.000 0.000 0.289 245 Q C -3.405 172.659 176.000 0.106 0.000 0.923 245 Q CA -2.022 53.827 55.803 0.076 0.000 0.787 245 Q CB 0.035 28.814 28.738 0.068 0.000 1.476 245 Q HN -0.078 nan 8.270 nan 0.000 0.402 246 P HA -0.090 nan 4.420 nan 0.000 0.266 246 P C 0.221 177.620 177.300 0.164 0.000 1.193 246 P CA 0.341 63.523 63.100 0.138 0.000 0.770 246 P CB 0.564 32.340 31.700 0.127 0.000 0.836 247 E N 3.228 123.548 120.200 0.201 0.000 2.086 247 E HA -0.326 4.024 4.350 -0.000 0.000 0.200 247 E C 1.864 178.563 176.600 0.165 0.000 1.012 247 E CA 1.278 57.795 56.400 0.194 0.000 0.812 247 E CB -0.080 29.765 29.700 0.243 0.000 0.743 247 E HN 0.282 nan 8.360 nan 0.000 0.453 248 R N 0.150 120.780 120.500 0.215 0.000 2.105 248 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 248 R C 1.583 178.070 176.300 0.311 0.000 1.135 248 R CA 1.957 58.205 56.100 0.248 0.000 0.967 248 R CB -0.111 30.366 30.300 0.296 0.000 0.861 248 R HN 0.241 nan 8.270 nan 0.000 0.442 249 D N 0.576 121.099 120.400 0.206 0.000 2.178 249 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 249 D C 1.356 177.763 176.300 0.179 0.000 0.980 249 D CA 1.079 55.187 54.000 0.180 0.000 0.842 249 D CB -0.337 40.518 40.800 0.092 0.000 0.948 249 D HN 0.253 nan 8.370 nan 0.000 0.472 250 D N -0.361 120.103 120.400 0.106 0.000 2.149 250 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 250 D C 1.881 178.106 176.300 -0.125 0.000 0.990 250 D CA 0.819 54.794 54.000 -0.042 0.000 0.839 250 D CB -0.258 40.434 40.800 -0.180 0.000 0.948 250 D HN 0.350 nan 8.370 nan 0.000 0.460 251 Y N -0.530 119.714 120.300 -0.094 0.000 2.314 251 Y HA -0.078 4.472 4.550 -0.000 0.000 0.293 251 Y C 2.172 177.987 175.900 -0.142 0.000 1.129 251 Y CA 0.575 58.588 58.100 -0.145 0.000 1.201 251 Y CB -0.455 37.859 38.460 -0.243 0.000 0.999 251 Y HN -0.064 nan 8.280 nan 0.000 0.541 252 F N -0.075 119.934 119.950 0.098 0.000 2.206 252 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 252 F C 1.547 177.358 175.800 0.019 0.000 1.090 252 F CA 0.514 58.545 58.000 0.052 0.000 1.323 252 F CB -0.668 38.346 39.000 0.023 0.000 1.028 252 F HN -0.204 nan 8.300 nan 0.000 0.492 253 S N 0.718 116.521 115.700 0.172 0.000 2.549 253 S HA 0.362 4.832 4.470 -0.000 0.000 0.283 253 S C 1.044 175.665 174.600 0.036 0.000 1.320 253 S CA -0.272 57.980 58.200 0.087 0.000 1.058 253 S CB 1.496 64.732 63.200 0.059 0.000 0.882 253 S HN 0.267 nan 8.310 nan 0.000 0.498 254 A N 2.544 125.381 122.820 0.029 0.000 2.119 254 A HA 0.459 4.779 4.320 -0.000 0.000 0.217 254 A C 1.261 178.850 177.584 0.009 0.000 1.153 254 A CA 0.628 52.672 52.037 0.010 0.000 0.692 254 A CB -0.757 18.248 19.000 0.008 0.000 0.799 254 A HN 1.320 nan 8.150 nan 0.000 0.458 255 A N 1.274 124.100 122.820 0.011 0.000 2.301 255 A HA 0.601 4.921 4.320 -0.000 0.000 0.298 255 A C -2.408 175.173 177.584 -0.004 0.000 1.185 255 A CA -1.689 50.354 52.037 0.010 0.000 0.830 255 A CB 0.309 19.317 19.000 0.013 0.000 1.112 255 A HN 0.262 nan 8.150 nan 0.000 0.508 256 P HA 0.402 nan 4.420 nan 0.000 0.279 256 P C -2.721 174.568 177.300 -0.018 0.000 1.252 256 P CA -1.375 61.706 63.100 -0.033 0.000 0.811 256 P CB 0.140 31.831 31.700 -0.015 0.000 1.035 257 P HA 0.168 nan 4.420 nan 0.000 0.272 257 P C -0.085 177.260 177.300 0.075 0.000 1.240 257 P CA -0.186 62.953 63.100 0.065 0.000 0.791 257 P CB 0.316 32.119 31.700 0.172 0.000 0.978 258 E N 1.179 121.435 120.200 0.093 0.000 2.392 258 E HA 0.004 4.354 4.350 -0.000 0.000 0.264 258 E C -0.555 176.109 176.600 0.107 0.000 1.024 258 E CA -0.240 56.202 56.400 0.069 0.000 0.903 258 E CB 0.296 30.023 29.700 0.044 0.000 0.963 258 E HN 0.228 nan 8.360 nan 0.000 0.432 259 Q N 3.494 123.348 119.800 0.090 0.000 2.312 259 Q HA 0.458 4.798 4.340 -0.000 0.000 0.263 259 Q C -0.671 175.397 176.000 0.113 0.000 0.995 259 Q CA -0.423 55.470 55.803 0.150 0.000 0.853 259 Q CB 2.012 30.837 28.738 0.144 0.000 1.300 259 Q HN 0.514 nan 8.270 nan 0.000 0.448 260 R N 1.540 122.131 120.500 0.150 0.000 2.673 260 R HA 0.638 4.978 4.340 -0.000 0.000 0.281 260 R C -0.558 175.805 176.300 0.106 0.000 0.991 260 R CA -0.948 55.200 56.100 0.080 0.000 0.896 260 R CB 1.852 32.166 30.300 0.024 0.000 1.201 260 R HN 0.621 nan 8.270 nan 0.000 0.457 261 I N 0.388 120.974 120.570 0.027 0.000 2.466 261 I HA 0.497 4.667 4.170 -0.000 0.000 0.289 261 I C -1.296 174.812 176.117 -0.015 0.000 1.026 261 I CA -0.571 60.728 61.300 -0.002 0.000 1.078 261 I CB 1.390 39.360 38.000 -0.050 0.000 1.249 261 I HN 0.434 nan 8.210 nan 0.000 0.429 262 I N 7.814 128.370 120.570 -0.025 0.000 2.378 262 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 262 I C -0.334 175.743 176.117 -0.067 0.000 0.992 262 I CA -0.293 60.981 61.300 -0.043 0.000 1.154 262 I CB 1.537 39.507 38.000 -0.050 0.000 1.315 262 I HN 0.486 nan 8.210 nan 0.000 0.448 263 I N 6.653 127.157 120.570 -0.110 0.000 2.354 263 I HA 0.451 4.621 4.170 -0.000 0.000 0.292 263 I C -0.526 175.403 176.117 -0.312 0.000 0.989 263 I CA -0.457 60.694 61.300 -0.247 0.000 1.188 263 I CB 1.143 38.949 38.000 -0.324 0.000 1.342 263 I HN 0.420 nan 8.210 nan 0.000 0.457 264 M N 6.686 126.082 119.600 -0.342 0.000 2.046 264 M HA 0.403 4.883 4.480 -0.000 0.000 0.309 264 M C -1.239 174.890 176.300 -0.285 0.000 0.935 264 M CA -0.493 54.665 55.300 -0.238 0.000 0.915 264 M CB 1.171 33.692 32.600 -0.131 0.000 1.474 264 M HN 0.309 nan 8.290 nan 0.000 0.415 265 Y N 0.429 120.708 120.300 -0.035 0.000 2.301 265 Y HA 0.064 4.614 4.550 -0.000 0.000 0.325 265 Y C 0.979 176.861 175.900 -0.029 0.000 1.203 265 Y CA -0.128 57.953 58.100 -0.032 0.000 1.255 265 Y CB 0.408 38.846 38.460 -0.037 0.000 1.232 265 Y HN 0.552 nan 8.280 nan 0.000 0.501 266 Y N 2.527 122.831 120.300 0.007 0.000 2.384 266 Y HA -0.237 4.313 4.550 -0.000 0.000 0.289 266 Y C 1.535 177.403 175.900 -0.053 0.000 1.152 266 Y CA 1.641 59.686 58.100 -0.093 0.000 1.258 266 Y CB -0.291 38.062 38.460 -0.179 0.000 0.979 266 Y HN 0.730 nan 8.280 nan 0.000 0.549 267 N N -0.793 117.887 118.700 -0.034 0.000 2.362 267 N HA -0.023 4.717 4.740 -0.000 0.000 0.204 267 N C 0.009 175.457 175.510 -0.103 0.000 1.166 267 N CA 1.017 53.997 53.050 -0.116 0.000 0.831 267 N CB -0.472 37.980 38.487 -0.057 0.000 1.008 267 N HN 0.276 nan 8.380 nan 0.000 0.472 268 D N -2.425 117.918 120.400 -0.095 0.000 2.946 268 D HA -0.160 4.480 4.640 -0.000 0.000 0.202 268 D C -0.974 175.322 176.300 -0.007 0.000 1.068 268 D CA 1.399 55.359 54.000 -0.068 0.000 1.011 268 D CB -1.592 39.148 40.800 -0.099 0.000 1.105 268 D HN 0.378 nan 8.370 nan 0.000 0.425 269 T N 0.479 115.065 114.554 0.054 0.000 2.884 269 T HA 0.540 4.890 4.350 -0.000 0.000 0.298 269 T C 0.618 175.396 174.700 0.128 0.000 0.998 269 T CA 0.051 62.204 62.100 0.088 0.000 1.124 269 T CB 0.878 69.814 68.868 0.114 0.000 0.931 269 T HN 0.086 nan 8.240 nan 0.000 0.531 270 I N 2.942 123.552 120.570 0.067 0.000 2.466 270 I HA 0.455 4.625 4.170 -0.000 0.000 0.289 270 I C -0.852 175.283 176.117 0.030 0.000 1.026 270 I CA -1.024 60.291 61.300 0.025 0.000 1.078 270 I CB 2.160 40.153 38.000 -0.013 0.000 1.249 270 I HN 0.251 nan 8.210 nan 0.000 0.429 271 V N 5.272 125.197 119.914 0.019 0.000 2.409 271 V HA 0.341 4.461 4.120 -0.000 0.000 0.290 271 V C -0.329 175.760 176.094 -0.008 0.000 1.017 271 V CA -0.575 61.738 62.300 0.022 0.000 0.841 271 V CB 1.709 33.570 31.823 0.064 0.000 1.003 271 V HN 0.760 nan 8.190 nan 0.000 0.426 272 E N 5.128 125.321 120.200 -0.011 0.000 2.191 272 E HA 0.681 5.031 4.350 -0.000 0.000 0.274 272 E C -0.922 175.671 176.600 -0.012 0.000 0.948 272 E CA -0.860 55.529 56.400 -0.018 0.000 0.802 272 E CB 1.261 30.946 29.700 -0.025 0.000 1.137 272 E HN 0.491 nan 8.360 nan 0.000 0.397 273 R N 3.692 124.185 120.500 -0.011 0.000 2.673 273 R HA 0.449 4.789 4.340 -0.000 0.000 0.281 273 R C -0.697 175.599 176.300 -0.007 0.000 0.991 273 R CA -0.801 55.294 56.100 -0.009 0.000 0.896 273 R CB 1.344 31.638 30.300 -0.010 0.000 1.201 273 R HN 0.649 nan 8.270 nan 0.000 0.457 274 I N 4.730 125.297 120.570 -0.005 0.000 2.325 274 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 274 I C 0.861 176.974 176.117 -0.006 0.000 1.019 274 I CA -0.455 60.845 61.300 0.000 0.000 1.302 274 I CB 0.705 38.705 38.000 0.001 0.000 1.401 274 I HN 0.451 nan 8.210 nan 0.000 0.485 275 I N 4.258 124.823 120.570 -0.009 0.000 2.607 275 I HA 0.526 4.696 4.170 -0.000 0.000 0.305 275 I C -0.547 175.555 176.117 -0.025 0.000 0.995 275 I CA -0.660 60.625 61.300 -0.026 0.000 1.148 275 I CB 1.761 39.726 38.000 -0.059 0.000 1.323 275 I HN 0.443 nan 8.210 nan 0.000 0.461 276 N N 5.006 123.690 118.700 -0.027 0.000 2.750 276 N HA 0.337 5.077 4.740 -0.000 0.000 0.253 276 N C -2.735 172.757 175.510 -0.030 0.000 1.408 276 N CA -0.805 52.230 53.050 -0.024 0.000 0.780 276 N CB 1.465 39.945 38.487 -0.011 0.000 1.191 276 N HN 0.535 nan 8.380 nan 0.000 0.511 277 P HA 0.287 nan 4.420 nan 0.000 0.271 277 P C -2.650 174.631 177.300 -0.032 0.000 1.218 277 P CA -0.951 62.120 63.100 -0.048 0.000 0.780 277 P CB 0.283 31.930 31.700 -0.089 0.000 0.901 278 P HA 0.125 nan 4.420 nan 0.000 0.272 278 P C 0.903 178.214 177.300 0.018 0.000 1.230 278 P CA 0.811 63.914 63.100 0.006 0.000 0.788 278 P CB -0.014 31.692 31.700 0.010 0.000 0.949 279 G N -0.083 108.746 108.800 0.049 0.000 2.153 279 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 279 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 279 G C 0.607 175.616 174.900 0.181 0.000 0.994 279 G CA 0.290 45.453 45.100 0.105 0.000 0.698 279 G HN 0.397 nan 8.290 nan 0.000 0.521 280 V N -0.455 119.522 119.914 0.104 0.000 2.743 280 V HA 0.363 4.483 4.120 -0.000 0.000 0.237 280 V C 1.439 177.624 176.094 0.151 0.000 1.113 280 V CA 0.854 63.220 62.300 0.110 0.000 1.141 280 V CB -0.156 31.624 31.823 -0.072 0.000 0.873 280 V HN 0.417 nan 8.190 nan 0.000 0.486 281 L N 2.010 123.280 121.223 0.078 0.000 2.513 281 L HA 0.178 4.518 4.340 -0.000 0.000 0.272 281 L C 0.580 177.494 176.870 0.072 0.000 1.187 281 L CA 0.720 55.598 54.840 0.063 0.000 0.895 281 L CB -0.699 41.380 42.059 0.035 0.000 1.147 281 L HN 0.449 nan 8.230 nan 0.000 0.483 282 D N 2.161 122.598 120.400 0.063 0.000 3.077 282 D HA -0.196 4.444 4.640 -0.000 0.000 0.212 282 D C 0.745 177.076 176.300 0.052 0.000 1.125 282 D CA 1.119 55.145 54.000 0.043 0.000 0.970 282 D CB -1.156 39.660 40.800 0.026 0.000 1.110 282 D HN 0.423 nan 8.370 nan 0.000 0.419 283 V N -2.096 117.883 119.914 0.108 0.000 3.029 283 V HA 0.134 4.254 4.120 -0.000 0.000 0.230 283 V C 0.220 176.337 176.094 0.038 0.000 1.254 283 V CA 0.313 62.667 62.300 0.089 0.000 1.276 283 V CB 0.341 32.281 31.823 0.193 0.000 1.080 283 V HN 0.062 nan 8.190 nan 0.000 0.495 284 W N 0.178 121.472 121.300 -0.009 0.000 2.349 284 W HA 0.688 5.348 4.660 0.000 0.000 0.309 284 W C 1.027 177.498 176.519 -0.081 0.000 1.083 284 W CA 0.110 57.434 57.345 -0.036 0.000 1.224 284 W CB 1.207 30.633 29.460 -0.056 0.000 1.256 284 W HN 0.132 nan 8.180 nan 0.000 0.461 285 A N 2.375 125.233 122.820 0.064 0.000 1.968 285 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 285 A C 0.724 178.232 177.584 -0.127 0.000 1.169 285 A CA 1.305 53.321 52.037 -0.034 0.000 0.638 285 A CB -0.336 18.621 19.000 -0.070 0.000 0.812 285 A HN 0.475 nan 8.150 nan 0.000 0.446 286 T N -1.966 112.475 114.554 -0.188 0.000 2.883 286 T HA 0.591 4.941 4.350 -0.000 0.000 0.301 286 T C -1.389 173.191 174.700 -0.200 0.000 1.158 286 T CA -0.506 61.378 62.100 -0.360 0.000 1.007 286 T CB 1.759 70.124 68.868 -0.838 0.000 1.186 286 T HN 0.427 nan 8.240 nan 0.000 0.499 287 L N 1.912 122.918 121.223 -0.362 0.000 2.543 287 L HA 0.737 5.077 4.340 -0.000 0.000 0.265 287 L C -2.040 174.525 176.870 -0.509 0.000 0.945 287 L CA -0.396 54.228 54.840 -0.361 0.000 0.869 287 L CB 2.015 43.860 42.059 -0.356 0.000 1.294 287 L HN 0.689 nan 8.230 nan 0.000 0.405 288 N N 4.178 122.582 118.700 -0.493 0.000 2.284 288 N HA 0.691 5.431 4.740 -0.000 0.000 0.289 288 N C -2.900 172.547 175.510 -0.105 0.000 1.179 288 N CA -1.720 51.062 53.050 -0.446 0.000 0.774 288 N CB 2.368 40.520 38.487 -0.558 0.000 1.548 288 N HN 0.291 nan 8.380 nan 0.000 0.473 289 P HA 0.210 nan 4.420 nan 0.000 0.277 289 P C 0.664 178.138 177.300 0.290 0.000 1.240 289 P CA -0.250 62.803 63.100 -0.079 0.000 0.798 289 P CB 0.663 32.061 31.700 -0.503 0.000 0.979 290 G N 0.388 109.419 108.800 0.384 0.000 2.679 290 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.212 290 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.212 290 G C 0.797 175.883 174.900 0.309 0.000 1.137 290 G CA 1.105 46.433 45.100 0.380 0.000 0.787 290 G HN 0.721 nan 8.290 nan 0.000 0.534 291 T N -4.083 110.630 114.554 0.265 0.000 10.376 291 T HA -0.220 4.130 4.350 -0.000 0.000 0.366 291 T C 1.398 176.251 174.700 0.255 0.000 1.790 291 T CA 1.648 63.869 62.100 0.202 0.000 2.837 291 T CB -1.882 67.087 68.868 0.170 0.000 2.485 291 T HN 1.505 nan 8.240 nan 0.000 0.947 292 G N 1.861 110.869 108.800 0.345 0.000 2.606 292 G HA2 0.475 4.435 3.960 -0.000 0.000 0.252 292 G HA3 0.475 4.435 3.960 -0.000 0.000 0.252 292 G C 0.278 175.390 174.900 0.353 0.000 1.206 292 G CA 0.226 45.586 45.100 0.433 0.000 0.861 292 G HN 1.711 nan 8.290 nan 0.000 0.561 293 S N -0.188 115.685 115.700 0.289 0.000 2.566 293 S HA 0.474 4.944 4.470 -0.000 0.000 0.280 293 S C 0.789 175.503 174.600 0.190 0.000 1.343 293 S CA 0.040 58.370 58.200 0.215 0.000 1.036 293 S CB 1.081 64.352 63.200 0.118 0.000 0.866 293 S HN 1.071 nan 8.310 nan 0.000 0.526 294 G N 0.083 108.985 108.800 0.169 0.000 2.557 294 G HA2 0.673 4.633 3.960 -0.000 0.000 0.302 294 G HA3 0.673 4.633 3.960 -0.000 0.000 0.302 294 G C -0.384 174.446 174.900 -0.117 0.000 1.311 294 G CA -0.416 44.636 45.100 -0.080 0.000 1.030 294 G HN 1.741 nan 8.290 nan 0.000 0.509 295 V N -3.189 116.629 119.914 -0.160 0.000 3.049 295 V HA 0.652 4.772 4.120 -0.000 0.000 0.309 295 V C -1.452 174.676 176.094 0.056 0.000 1.148 295 V CA -1.408 60.879 62.300 -0.021 0.000 0.990 295 V CB 1.620 33.460 31.823 0.028 0.000 1.039 295 V HN 0.746 nan 8.190 nan 0.000 0.430 296 Y N 3.858 124.158 120.300 -0.000 0.000 2.383 296 Y HA 0.710 5.260 4.550 0.000 0.000 0.344 296 Y C -1.206 174.801 175.900 0.178 0.000 0.986 296 Y CA -1.306 56.828 58.100 0.057 0.000 1.175 296 Y CB 1.112 39.587 38.460 0.025 0.000 1.152 296 Y HN 0.834 nan 8.280 nan 0.000 0.511 297 Y N 6.859 126.990 120.300 -0.282 0.000 2.329 297 Y HA 0.391 4.941 4.550 -0.000 0.000 0.328 297 Y C -0.231 175.546 175.900 -0.204 0.000 0.992 297 Y CA -1.542 56.433 58.100 -0.209 0.000 1.151 297 Y CB 0.763 39.212 38.460 -0.017 0.000 1.150 297 Y HN 0.687 nan 8.280 nan 0.000 0.450 298 L N 6.551 127.353 121.223 -0.701 0.000 3.742 298 L HA -0.353 3.987 4.340 -0.000 0.000 0.431 298 L C 1.137 177.881 176.870 -0.209 0.000 1.220 298 L CA 1.310 55.824 54.840 -0.543 0.000 0.863 298 L CB -1.554 40.051 42.059 -0.756 0.000 1.751 298 L HN 1.199 nan 8.230 nan 0.000 0.922 299 G N -2.975 105.576 108.800 -0.414 0.000 2.199 299 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 299 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 299 G C -0.248 174.655 174.900 0.006 0.000 0.982 299 G CA 0.217 45.250 45.100 -0.110 0.000 0.632 299 G HN 0.360 nan 8.290 nan 0.000 0.529 300 W N -0.477 120.781 121.300 -0.070 0.000 2.706 300 W HA 0.681 5.341 4.660 0.000 0.000 0.346 300 W C -0.026 176.561 176.519 0.113 0.000 1.071 300 W CA -0.944 56.455 57.345 0.091 0.000 1.206 300 W CB 1.784 31.322 29.460 0.130 0.000 1.413 300 W HN 0.149 nan 8.180 nan 0.000 0.542 301 V N 4.430 124.534 119.914 0.317 0.000 2.370 301 V HA 0.398 4.518 4.120 -0.000 0.000 0.279 301 V C -0.138 175.930 176.094 -0.044 0.000 1.029 301 V CA -0.921 61.443 62.300 0.106 0.000 0.870 301 V CB 0.467 32.312 31.823 0.036 0.000 0.984 301 V HN 0.314 nan 8.190 nan 0.000 0.451 302 L N 5.564 126.684 121.223 -0.170 0.000 2.307 302 L HA 0.651 4.991 4.340 -0.000 0.000 0.284 302 L C -0.896 175.772 176.870 -0.337 0.000 1.023 302 L CA -0.174 54.579 54.840 -0.145 0.000 0.810 302 L CB 1.206 43.232 42.059 -0.055 0.000 1.231 302 L HN 0.431 nan 8.230 nan 0.000 0.423 303 F N 2.954 122.980 119.950 0.127 0.000 2.546 303 F HA 0.551 5.078 4.527 -0.000 0.000 0.320 303 F C -2.150 173.780 175.800 0.216 0.000 1.076 303 F CA -2.362 55.763 58.000 0.208 0.000 0.928 303 F CB 1.892 41.088 39.000 0.325 0.000 1.189 303 F HN 0.262 nan 8.300 nan 0.000 0.465 304 P HA 0.411 nan 4.420 nan 0.000 0.279 304 P C -0.968 176.603 177.300 0.451 0.000 1.239 304 P CA -0.024 63.345 63.100 0.449 0.000 0.789 304 P CB 1.606 33.656 31.700 0.584 0.000 0.933 305 I N 0.530 121.332 120.570 0.387 0.000 3.174 305 I HA 0.805 4.975 4.170 -0.000 0.000 0.313 305 I C -1.347 175.066 176.117 0.494 0.000 1.155 305 I CA -1.494 60.031 61.300 0.375 0.000 0.977 305 I CB 2.397 40.499 38.000 0.170 0.000 1.248 305 I HN 0.387 nan 8.210 nan 0.000 0.453 306 Y N 0.782 121.207 120.300 0.209 0.000 2.677 306 Y HA 0.934 5.484 4.550 -0.000 0.000 0.334 306 Y C -0.571 175.537 175.900 0.347 0.000 1.196 306 Y CA -0.455 57.844 58.100 0.332 0.000 1.059 306 Y CB 0.881 39.527 38.460 0.310 0.000 1.315 306 Y HN 1.163 nan 8.280 nan 0.000 0.455 307 G N -0.487 108.528 108.800 0.358 0.000 2.335 307 G HA2 0.520 4.480 3.960 -0.000 0.000 0.291 307 G HA3 0.520 4.480 3.960 -0.000 0.000 0.291 307 G C -1.397 173.703 174.900 0.334 0.000 1.261 307 G CA -0.261 44.952 45.100 0.188 0.000 0.871 307 G HN 1.434 nan 8.290 nan 0.000 0.491 308 G N -0.861 108.034 108.800 0.158 0.000 2.470 308 G HA2 0.657 4.617 3.960 -0.000 0.000 0.320 308 G HA3 0.657 4.617 3.960 -0.000 0.000 0.320 308 G C -0.828 174.044 174.900 -0.047 0.000 1.245 308 G CA -0.345 44.859 45.100 0.173 0.000 0.935 308 G HN 0.956 nan 8.290 nan 0.000 0.476 309 V N 3.421 123.251 119.914 -0.141 0.000 2.539 309 V HA 0.357 4.477 4.120 -0.000 0.000 0.292 309 V C 0.474 176.612 176.094 0.074 0.000 1.045 309 V CA -0.651 61.504 62.300 -0.242 0.000 0.945 309 V CB 1.636 33.227 31.823 -0.387 0.000 0.993 309 V HN 0.610 nan 8.190 nan 0.000 0.464 310 I N 3.817 124.388 120.570 0.002 0.000 2.529 310 I HA 0.192 4.362 4.170 -0.000 0.000 0.284 310 I C 0.775 176.789 176.117 -0.170 0.000 1.082 310 I CA -0.065 61.212 61.300 -0.039 0.000 1.406 310 I CB 0.509 38.465 38.000 -0.073 0.000 1.405 310 I HN 0.611 nan 8.210 nan 0.000 0.548 311 K N 4.881 124.929 120.400 -0.587 0.000 2.489 311 K HA 0.090 4.410 4.320 -0.000 0.000 0.278 311 K C 0.993 177.031 176.600 -0.937 0.000 1.000 311 K CA 1.025 56.344 56.287 -1.614 0.000 1.012 311 K CB 0.294 31.929 32.500 -1.441 0.000 0.903 311 K HN 0.941 nan 8.250 nan 0.000 0.485 312 G N 2.301 110.483 108.800 -1.030 0.000 2.195 312 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.246 312 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.246 312 G C 0.204 175.005 174.900 -0.165 0.000 0.984 312 G CA 0.467 45.318 45.100 -0.415 0.000 0.633 312 G HN 0.870 nan 8.290 nan 0.000 0.525 313 T N -1.163 113.331 114.554 -0.100 0.000 2.828 313 T HA 0.638 4.988 4.350 -0.000 0.000 0.290 313 T C 1.586 176.335 174.700 0.082 0.000 1.019 313 T CA 0.718 62.822 62.100 0.006 0.000 1.031 313 T CB 1.554 70.432 68.868 0.017 0.000 1.001 313 T HN 0.292 nan 8.240 nan 0.000 0.531 314 S N 0.400 116.136 115.700 0.059 0.000 2.359 314 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 314 S C 1.867 176.516 174.600 0.081 0.000 1.035 314 S CA 1.088 59.327 58.200 0.065 0.000 1.018 314 S CB -0.682 62.543 63.200 0.042 0.000 0.876 314 S HN 0.640 nan 8.310 nan 0.000 0.448 315 L N 1.958 123.221 121.223 0.067 0.000 2.012 315 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 315 L C 2.058 178.974 176.870 0.077 0.000 1.073 315 L CA 1.821 56.682 54.840 0.037 0.000 0.748 315 L CB -1.060 40.981 42.059 -0.030 0.000 0.891 315 L HN 0.566 nan 8.230 nan 0.000 0.431 316 W N 0.808 122.067 121.300 -0.068 0.000 2.335 316 W HA -0.274 4.386 4.660 -0.000 0.000 0.311 316 W C 2.206 178.732 176.519 0.012 0.000 1.213 316 W CA 2.019 59.354 57.345 -0.017 0.000 1.274 316 W CB -0.650 28.811 29.460 0.002 0.000 1.148 316 W HN 0.360 nan 8.180 nan 0.000 0.498 317 N N 0.736 119.668 118.700 0.386 0.000 2.120 317 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 317 N C 1.208 176.772 175.510 0.090 0.000 1.024 317 N CA 1.629 54.830 53.050 0.252 0.000 0.852 317 N CB -1.127 37.469 38.487 0.181 0.000 1.003 317 N HN 0.237 nan 8.380 nan 0.000 0.424 318 N N 0.768 119.500 118.700 0.053 0.000 2.453 318 N HA -0.110 4.630 4.740 -0.000 0.000 0.183 318 N C 1.314 176.798 175.510 -0.043 0.000 1.041 318 N CA 0.595 53.646 53.050 0.003 0.000 0.900 318 N CB 0.042 38.527 38.487 -0.003 0.000 0.961 318 N HN 0.338 nan 8.380 nan 0.000 0.443 319 Q N 0.326 120.080 119.800 -0.077 0.000 2.352 319 Q HA 0.327 4.667 4.340 -0.000 0.000 0.212 319 Q C -0.138 175.754 176.000 -0.179 0.000 0.888 319 Q CA -0.206 55.501 55.803 -0.159 0.000 0.934 319 Q CB 0.318 28.924 28.738 -0.219 0.000 1.093 319 Q HN 0.236 nan 8.270 nan 0.000 0.523 320 A N 1.289 124.033 122.820 -0.127 0.000 2.567 320 A HA -0.001 4.319 4.320 -0.000 0.000 0.240 320 A C 0.420 177.986 177.584 -0.030 0.000 1.053 320 A CA 0.847 52.836 52.037 -0.080 0.000 0.755 320 A CB -0.344 18.658 19.000 0.003 0.000 0.978 320 A HN 0.684 nan 8.150 nan 0.000 0.507 321 N N -0.536 118.170 118.700 0.010 0.000 2.909 321 N HA -0.148 4.592 4.740 -0.000 0.000 0.242 321 N C -0.238 175.328 175.510 0.094 0.000 0.975 321 N CA 1.506 54.594 53.050 0.064 0.000 0.921 321 N CB -0.682 37.840 38.487 0.058 0.000 1.112 321 N HN 0.832 nan 8.380 nan 0.000 0.581 322 K N 0.170 120.549 120.400 -0.035 0.000 2.098 322 K HA 0.440 4.760 4.320 -0.000 0.000 0.261 322 K C -0.456 176.067 176.600 -0.129 0.000 0.987 322 K CA -0.175 56.038 56.287 -0.123 0.000 0.916 322 K CB 0.908 33.269 32.500 -0.232 0.000 1.039 322 K HN 0.256 nan 8.250 nan 0.000 0.455 323 Y N -1.143 119.087 120.300 -0.115 0.000 2.702 323 Y HA 0.576 5.126 4.550 -0.000 0.000 0.336 323 Y C -1.958 174.108 175.900 0.278 0.000 1.203 323 Y CA -1.594 56.540 58.100 0.057 0.000 1.072 323 Y CB 0.821 39.386 38.460 0.176 0.000 1.327 323 Y HN 0.444 nan 8.280 nan 0.000 0.456 324 F N 3.174 123.333 119.950 0.349 0.000 2.547 324 F HA 0.802 5.329 4.527 -0.000 0.000 0.316 324 F C -1.749 174.273 175.800 0.370 0.000 1.121 324 F CA -1.898 56.225 58.000 0.205 0.000 0.911 324 F CB 1.459 40.559 39.000 0.166 0.000 1.179 324 F HN 0.554 nan 8.300 nan 0.000 0.443 325 I N 7.313 127.577 120.570 -0.510 0.000 2.439 325 I HA 0.314 4.484 4.170 -0.000 0.000 0.283 325 I C -2.370 173.219 176.117 -0.880 0.000 1.023 325 I CA -2.026 59.056 61.300 -0.365 0.000 1.100 325 I CB 1.863 39.838 38.000 -0.042 0.000 1.238 325 I HN 0.422 nan 8.210 nan 0.000 0.445 326 P HA -0.033 nan 4.420 nan 0.000 0.264 326 P C 0.581 177.579 177.300 -0.503 0.000 1.183 326 P CA 0.160 62.788 63.100 -0.787 0.000 0.763 326 P CB 0.606 31.702 31.700 -1.006 0.000 0.807 327 Q N 2.559 122.187 119.800 -0.287 0.000 2.217 327 Q HA -0.214 4.126 4.340 -0.000 0.000 0.209 327 Q C 1.076 176.995 176.000 -0.136 0.000 0.988 327 Q CA 1.689 57.402 55.803 -0.150 0.000 0.878 327 Q CB -0.176 28.536 28.738 -0.044 0.000 0.909 327 Q HN 0.509 nan 8.270 nan 0.000 0.424 328 M N -0.943 118.562 119.600 -0.159 0.000 2.453 328 M HA 0.017 4.497 4.480 -0.000 0.000 0.239 328 M C 1.171 177.399 176.300 -0.119 0.000 1.151 328 M CA -0.259 54.995 55.300 -0.077 0.000 0.989 328 M CB 0.875 33.500 32.600 0.042 0.000 1.548 328 M HN 0.024 nan 8.290 nan 0.000 0.479 329 V N 0.084 119.814 119.914 -0.306 0.000 2.379 329 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 329 V C 2.564 178.608 176.094 -0.083 0.000 1.044 329 V CA 1.943 64.078 62.300 -0.276 0.000 1.036 329 V CB -0.838 30.773 31.823 -0.354 0.000 0.664 329 V HN 0.554 nan 8.190 nan 0.000 0.453 330 A N 0.648 123.414 122.820 -0.091 0.000 1.881 330 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 330 A C 2.370 179.942 177.584 -0.020 0.000 1.215 330 A CA 2.688 54.693 52.037 -0.053 0.000 0.648 330 A CB -1.101 17.868 19.000 -0.051 0.000 0.832 330 A HN 0.651 nan 8.150 nan 0.000 0.455 331 A N -1.513 121.303 122.820 -0.007 0.000 2.178 331 A HA 0.165 4.485 4.320 -0.000 0.000 0.218 331 A C 1.900 179.504 177.584 0.034 0.000 1.157 331 A CA 1.446 53.490 52.037 0.012 0.000 0.689 331 A CB -0.398 18.611 19.000 0.015 0.000 0.787 331 A HN 0.506 nan 8.150 nan 0.000 0.465 332 L N -2.176 119.081 121.223 0.057 0.000 2.672 332 L HA 0.173 4.513 4.340 -0.000 0.000 0.236 332 L C 0.798 177.722 176.870 0.089 0.000 1.092 332 L CA -0.360 54.537 54.840 0.095 0.000 0.887 332 L CB 0.464 42.632 42.059 0.183 0.000 1.168 332 L HN 0.388 nan 8.230 nan 0.000 0.502 333 C N 0.378 119.713 119.300 0.059 0.000 2.388 333 C HA 0.277 4.737 4.460 -0.000 0.000 0.362 333 C C 2.073 177.064 174.990 0.002 0.000 1.266 333 C CA -0.082 58.956 59.018 0.034 0.000 2.028 333 C CB 0.968 28.703 27.740 -0.007 0.000 2.440 333 C HN 0.514 nan 8.230 nan 0.000 0.547 334 S N 3.727 119.427 115.700 -0.001 0.000 2.496 334 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 334 S C 0.520 175.103 174.600 -0.029 0.000 0.996 334 S CA 0.204 58.397 58.200 -0.011 0.000 0.927 334 S CB -0.213 62.984 63.200 -0.005 0.000 0.774 334 S HN 0.915 nan 8.310 nan 0.000 0.524 335 Q N 2.299 122.071 119.800 -0.047 0.000 2.368 335 Q HA 0.309 4.649 4.340 -0.000 0.000 0.237 335 Q C -0.238 175.722 176.000 -0.066 0.000 0.987 335 Q CA -0.511 55.253 55.803 -0.064 0.000 0.896 335 Q CB 0.273 28.953 28.738 -0.097 0.000 1.241 335 Q HN 0.664 nan 8.270 nan 0.000 0.485 336 N N -0.048 118.613 118.700 -0.065 0.000 2.445 336 N HA -0.047 4.693 4.740 -0.000 0.000 0.264 336 N C 0.444 175.907 175.510 -0.078 0.000 1.227 336 N CA -0.341 52.673 53.050 -0.060 0.000 0.963 336 N CB 0.608 39.066 38.487 -0.049 0.000 1.188 336 N HN 0.444 nan 8.380 nan 0.000 0.491 337 Q N 0.619 120.378 119.800 -0.068 0.000 2.077 337 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 337 Q C 1.831 177.772 176.000 -0.098 0.000 0.989 337 Q CA 2.613 58.371 55.803 -0.076 0.000 0.853 337 Q CB -0.930 27.779 28.738 -0.049 0.000 0.907 337 Q HN 0.826 nan 8.270 nan 0.000 0.418 338 A N -1.292 121.478 122.820 -0.083 0.000 1.933 338 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 338 A C 2.255 179.767 177.584 -0.119 0.000 1.175 338 A CA 1.919 53.900 52.037 -0.093 0.000 0.628 338 A CB -0.768 18.193 19.000 -0.065 0.000 0.814 338 A HN 0.460 nan 8.150 nan 0.000 0.444 339 T N -0.120 114.367 114.554 -0.113 0.000 2.857 339 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 339 T C 2.060 176.654 174.700 -0.177 0.000 1.048 339 T CA 1.483 63.508 62.100 -0.124 0.000 1.139 339 T CB -0.192 68.616 68.868 -0.101 0.000 0.874 339 T HN 0.609 nan 8.240 nan 0.000 0.455 340 Q N 0.434 120.115 119.800 -0.199 0.000 2.050 340 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 340 Q C 2.567 178.372 176.000 -0.325 0.000 0.980 340 Q CA 1.189 56.825 55.803 -0.278 0.000 0.840 340 Q CB -0.482 28.110 28.738 -0.245 0.000 0.898 340 Q HN 0.325 nan 8.270 nan 0.000 0.424 341 V N 1.292 121.007 119.914 -0.331 0.000 2.332 341 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 341 V C 2.392 178.207 176.094 -0.465 0.000 1.055 341 V CA 2.286 64.251 62.300 -0.559 0.000 1.038 341 V CB -0.703 30.826 31.823 -0.488 0.000 0.651 341 V HN 0.446 nan 8.190 nan 0.000 0.450 342 Q N -0.019 119.618 119.800 -0.272 0.000 2.050 342 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 342 Q C 2.136 178.061 176.000 -0.125 0.000 0.980 342 Q CA 1.948 57.650 55.803 -0.168 0.000 0.840 342 Q CB -0.123 28.546 28.738 -0.115 0.000 0.898 342 Q HN 0.654 nan 8.270 nan 0.000 0.424 343 N N 0.374 118.976 118.700 -0.164 0.000 2.188 343 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 343 N C 1.651 177.088 175.510 -0.122 0.000 1.018 343 N CA 1.226 54.190 53.050 -0.144 0.000 0.858 343 N CB -0.349 38.001 38.487 -0.229 0.000 0.989 343 N HN 0.358 nan 8.380 nan 0.000 0.426 344 A N 1.847 124.556 122.820 -0.185 0.000 1.902 344 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 344 A C 2.126 179.906 177.584 0.326 0.000 1.181 344 A CA 1.356 53.416 52.037 0.039 0.000 0.623 344 A CB -0.379 18.675 19.000 0.091 0.000 0.818 344 A HN 0.250 nan 8.150 nan 0.000 0.443 345 K N 0.373 120.883 120.400 0.183 0.000 2.103 345 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 345 K C 2.219 179.070 176.600 0.418 0.000 1.048 345 K CA 1.634 58.102 56.287 0.302 0.000 0.930 345 K CB -0.224 32.356 32.500 0.134 0.000 0.716 345 K HN 0.671 nan 8.250 nan 0.000 0.444 346 S N 0.496 116.384 115.700 0.313 0.000 2.522 346 S HA -0.061 4.409 4.470 -0.000 0.000 0.227 346 S C 1.857 176.733 174.600 0.460 0.000 0.986 346 S CA 0.883 59.308 58.200 0.375 0.000 0.929 346 S CB -0.114 63.213 63.200 0.211 0.000 0.769 346 S HN 0.261 nan 8.310 nan 0.000 0.529 347 S N 0.053 115.987 115.700 0.389 0.000 2.555 347 S HA 0.043 4.513 4.470 -0.000 0.000 0.230 347 S C 0.910 175.600 174.600 0.150 0.000 0.978 347 S CA 0.017 58.409 58.200 0.321 0.000 0.934 347 S CB -0.861 62.464 63.200 0.208 0.000 0.766 347 S HN 0.638 nan 8.310 nan 0.000 0.533 348 Y N 0.389 120.761 120.300 0.119 0.000 2.457 348 Y HA 0.409 4.959 4.550 -0.000 0.000 0.263 348 Y C -0.280 175.393 175.900 -0.379 0.000 1.164 348 Y CA -0.890 57.101 58.100 -0.181 0.000 1.274 348 Y CB -0.157 38.029 38.460 -0.456 0.000 1.097 348 Y HN 0.265 nan 8.280 nan 0.000 0.523 349 Y N -1.006 119.483 120.300 0.314 0.000 2.361 349 Y HA 0.486 5.036 4.550 -0.000 0.000 0.337 349 Y C -0.049 175.846 175.900 -0.008 0.000 0.965 349 Y CA -1.442 56.755 58.100 0.161 0.000 1.091 349 Y CB 1.978 40.483 38.460 0.075 0.000 1.182 349 Y HN -0.301 nan 8.280 nan 0.000 0.450 350 S N 1.142 116.936 115.700 0.157 0.000 2.530 350 S HA 0.282 4.752 4.470 -0.000 0.000 0.322 350 S C 0.789 175.369 174.600 -0.034 0.000 1.085 350 S CA -0.187 57.942 58.200 -0.118 0.000 1.096 350 S CB 0.622 63.978 63.200 0.261 0.000 0.988 350 S HN 0.789 nan 8.310 nan 0.000 0.466 351 S N 5.314 120.931 115.700 -0.139 0.000 2.436 351 S HA -0.053 4.417 4.470 -0.000 0.000 0.228 351 S C 1.575 176.253 174.600 0.130 0.000 1.014 351 S CA -0.119 58.086 58.200 0.007 0.000 0.950 351 S CB -0.526 62.675 63.200 0.001 0.000 0.784 351 S HN 0.916 nan 8.310 nan 0.000 0.504 352 W N 1.337 122.617 121.300 -0.033 0.000 2.388 352 W HA 0.117 4.777 4.660 -0.000 0.000 0.294 352 W C -0.572 176.098 176.519 0.252 0.000 1.212 352 W CA 0.361 57.750 57.345 0.073 0.000 1.271 352 W CB -0.004 29.412 29.460 -0.074 0.000 1.126 352 W HN 0.208 nan 8.180 nan 0.000 0.535 353 F N 1.745 121.712 119.950 0.028 0.000 2.508 353 F HA 0.347 4.874 4.527 -0.000 0.000 0.329 353 F C 1.377 176.978 175.800 -0.333 0.000 1.198 353 F CA -0.550 57.320 58.000 -0.215 0.000 1.268 353 F CB -0.348 38.366 39.000 -0.477 0.000 1.584 353 F HN 0.106 nan 8.300 nan 0.000 0.570 354 G N 2.171 110.486 108.800 -0.807 0.000 2.296 354 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.282 354 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.282 354 G C 0.696 175.338 174.900 -0.431 0.000 1.014 354 G CA 0.677 44.961 45.100 -1.360 0.000 0.812 354 G HN 0.768 nan 8.290 nan 0.000 0.508 355 N N -1.873 116.739 118.700 -0.146 0.000 2.740 355 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 355 N C 0.647 176.270 175.510 0.189 0.000 1.062 355 N CA 1.170 54.245 53.050 0.041 0.000 0.704 355 N CB -0.138 38.352 38.487 0.005 0.000 0.968 355 N HN 0.609 nan 8.380 nan 0.000 0.547 356 R N 0.478 121.123 120.500 0.241 0.000 2.643 356 R HA 0.427 4.767 4.340 -0.000 0.000 0.272 356 R C 0.410 176.967 176.300 0.427 0.000 0.995 356 R CA -0.754 55.559 56.100 0.356 0.000 1.032 356 R CB 0.643 31.127 30.300 0.307 0.000 1.126 356 R HN 0.278 nan 8.270 nan 0.000 0.505 357 M N 2.961 122.799 119.600 0.396 0.000 2.105 357 M HA 0.211 4.691 4.480 -0.000 0.000 0.350 357 M C -0.550 175.809 176.300 0.097 0.000 1.308 357 M CA -0.433 54.910 55.300 0.072 0.000 1.108 357 M CB 0.387 32.889 32.600 -0.164 0.000 1.622 357 M HN 0.275 nan 8.290 nan 0.000 0.468 358 I N 4.939 125.610 120.570 0.169 0.000 2.406 358 I HA 0.132 4.302 4.170 -0.000 0.000 0.293 358 I C -0.008 176.243 176.117 0.224 0.000 1.101 358 I CA 0.229 61.695 61.300 0.277 0.000 1.334 358 I CB -0.240 37.965 38.000 0.340 0.000 1.421 358 I HN 0.713 nan 8.210 nan 0.000 0.513 359 Q N 4.563 124.493 119.800 0.216 0.000 2.309 359 Q HA 0.505 4.845 4.340 -0.000 0.000 0.264 359 Q C -0.852 175.414 176.000 0.443 0.000 1.008 359 Q CA -0.280 55.655 55.803 0.219 0.000 0.853 359 Q CB 1.921 30.611 28.738 -0.080 0.000 1.314 359 Q HN 0.633 nan 8.270 nan 0.000 0.448 360 S N 0.901 116.847 115.700 0.411 0.000 2.593 360 S HA 0.994 5.464 4.470 -0.000 0.000 0.297 360 S C -0.652 174.238 174.600 0.483 0.000 1.112 360 S CA 0.107 58.591 58.200 0.474 0.000 1.043 360 S CB 1.452 64.886 63.200 0.389 0.000 1.054 360 S HN 0.830 nan 8.310 nan 0.000 0.516 361 G N 0.844 109.879 108.800 0.392 0.000 2.490 361 G HA2 0.575 4.535 3.960 -0.000 0.000 0.308 361 G HA3 0.575 4.535 3.960 -0.000 0.000 0.308 361 G C -2.027 172.816 174.900 -0.095 0.000 1.286 361 G CA -0.602 44.527 45.100 0.049 0.000 0.825 361 G HN 0.629 nan 8.290 nan 0.000 0.479 362 I N 0.114 120.524 120.570 -0.268 0.000 2.582 362 I HA 0.452 4.622 4.170 -0.000 0.000 0.292 362 I C -1.250 174.799 176.117 -0.113 0.000 1.066 362 I CA -0.820 60.377 61.300 -0.171 0.000 1.053 362 I CB 2.373 40.181 38.000 -0.319 0.000 1.241 362 I HN 0.399 nan 8.210 nan 0.000 0.421 363 L N 6.372 127.600 121.223 0.009 0.000 2.280 363 L HA 0.745 5.085 4.340 -0.000 0.000 0.287 363 L C -0.261 176.643 176.870 0.057 0.000 1.023 363 L CA -0.032 54.799 54.840 -0.014 0.000 0.819 363 L CB 1.227 43.256 42.059 -0.050 0.000 1.212 363 L HN 0.658 nan 8.230 nan 0.000 0.420 364 A N 4.974 127.814 122.820 0.033 0.000 2.271 364 A HA 0.665 4.985 4.320 -0.000 0.000 0.317 364 A C -0.789 177.022 177.584 0.379 0.000 1.245 364 A CA -0.421 51.715 52.037 0.166 0.000 0.857 364 A CB 0.438 19.417 19.000 -0.035 0.000 1.175 364 A HN 0.767 nan 8.150 nan 0.000 0.512 365 c N 5.023 123.865 118.600 0.403 0.000 2.369 365 c HA 0.648 5.218 4.570 -0.000 0.000 0.322 365 c C -2.337 171.761 174.090 0.014 0.000 1.258 365 c CA -1.092 55.377 56.329 0.233 0.000 1.487 365 c CB 1.651 44.253 42.510 0.153 0.000 2.165 365 c HN 0.745 nan 8.230 nan 0.000 0.483 366 P HA 0.086 nan 4.420 nan 0.000 0.275 366 P C -0.611 176.485 177.300 -0.341 0.000 1.227 366 P CA -0.266 62.287 63.100 -0.912 0.000 0.781 366 P CB 0.797 31.850 31.700 -1.079 0.000 0.906 367 L N 5.060 126.148 121.223 -0.226 0.000 2.536 367 L HA 0.141 4.481 4.340 -0.000 0.000 0.282 367 L C 0.301 177.133 176.870 -0.064 0.000 1.174 367 L CA 0.694 55.500 54.840 -0.057 0.000 0.989 367 L CB -1.260 40.825 42.059 0.042 0.000 1.311 367 L HN 0.350 nan 8.230 nan 0.000 0.455 368 R N 2.756 123.227 120.500 -0.050 0.000 2.836 368 R HA 0.371 4.711 4.340 -0.000 0.000 0.269 368 R C 0.060 176.367 176.300 0.012 0.000 1.010 368 R CA -0.661 55.421 56.100 -0.030 0.000 0.930 368 R CB 1.362 31.621 30.300 -0.067 0.000 1.218 368 R HN 0.444 nan 8.270 nan 0.000 0.473 369 Q N 0.586 120.402 119.800 0.027 0.000 2.282 369 Q HA 0.012 4.352 4.340 -0.000 0.000 0.206 369 Q C -0.333 175.678 176.000 0.018 0.000 0.878 369 Q CA 0.392 56.224 55.803 0.048 0.000 0.944 369 Q CB 0.619 29.401 28.738 0.073 0.000 1.100 369 Q HN 0.510 nan 8.270 nan 0.000 0.509 370 D N -0.294 120.105 120.400 -0.001 0.000 2.696 370 D HA 0.083 4.723 4.640 -0.000 0.000 0.269 370 D C -0.104 176.187 176.300 -0.015 0.000 1.319 370 D CA -0.291 53.705 54.000 -0.007 0.000 0.826 370 D CB -0.152 40.642 40.800 -0.010 0.000 1.086 370 D HN 0.090 nan 8.370 nan 0.000 0.481 371 L N 1.202 122.414 121.223 -0.018 0.000 2.559 371 L HA 0.055 4.395 4.340 -0.000 0.000 0.282 371 L C 1.671 178.529 176.870 -0.019 0.000 1.232 371 L CA 0.797 55.622 54.840 -0.025 0.000 0.885 371 L CB 0.614 42.656 42.059 -0.028 0.000 1.131 371 L HN 0.240 nan 8.230 nan 0.000 0.498 372 T N -2.309 112.234 114.554 -0.018 0.000 3.464 372 T HA 0.073 4.423 4.350 -0.000 0.000 0.222 372 T C 0.718 175.409 174.700 -0.014 0.000 0.982 372 T CA 0.180 62.272 62.100 -0.014 0.000 1.132 372 T CB 0.154 69.017 68.868 -0.009 0.000 1.226 372 T HN 0.567 nan 8.240 nan 0.000 0.346 373 N N 0.900 119.595 118.700 -0.008 0.000 2.377 373 N HA 0.291 5.031 4.740 -0.000 0.000 0.259 373 N C 0.030 175.546 175.510 0.010 0.000 1.332 373 N CA -0.215 52.832 53.050 -0.004 0.000 0.877 373 N CB 0.551 39.038 38.487 -0.000 0.000 1.299 373 N HN 0.438 nan 8.380 nan 0.000 0.501 374 E N -0.099 120.107 120.200 0.011 0.000 2.400 374 E HA 0.202 4.552 4.350 -0.000 0.000 0.195 374 E C -0.076 176.583 176.600 0.097 0.000 1.012 374 E CA 0.127 56.552 56.400 0.042 0.000 0.875 374 E CB 0.191 29.889 29.700 -0.004 0.000 0.859 374 E HN 0.339 nan 8.360 nan 0.000 0.498 375 c N 1.365 119.997 118.600 0.054 0.000 2.652 375 c HA 0.273 4.843 4.570 -0.000 0.000 0.412 375 c C 0.309 174.432 174.090 0.055 0.000 1.294 375 c CA -0.616 55.762 56.329 0.082 0.000 2.127 375 c CB -0.567 41.929 42.510 -0.022 0.000 2.691 375 c HN 0.301 nan 8.230 nan 0.000 0.615 376 L N 3.000 124.260 121.223 0.062 0.000 2.341 376 L HA 0.510 4.850 4.340 -0.000 0.000 0.278 376 L C -0.417 176.397 176.870 -0.094 0.000 1.005 376 L CA -0.511 54.313 54.840 -0.027 0.000 0.818 376 L CB 1.234 43.255 42.059 -0.063 0.000 1.259 376 L HN 0.352 nan 8.230 nan 0.000 0.418 377 V N 5.104 124.951 119.914 -0.112 0.000 2.385 377 V HA 0.278 4.398 4.120 -0.000 0.000 0.269 377 V C 0.092 176.120 176.094 -0.110 0.000 1.043 377 V CA -0.127 62.084 62.300 -0.148 0.000 0.906 377 V CB 1.137 32.836 31.823 -0.206 0.000 0.995 377 V HN 0.485 nan 8.190 nan 0.000 0.467 378 L N 8.938 130.063 121.223 -0.162 0.000 2.324 378 L HA 0.452 4.792 4.340 -0.000 0.000 0.274 378 L C -2.254 174.470 176.870 -0.243 0.000 1.012 378 L CA -1.549 53.162 54.840 -0.216 0.000 0.859 378 L CB 1.987 43.848 42.059 -0.330 0.000 1.224 378 L HN 0.430 nan 8.230 nan 0.000 0.429 379 P HA 0.190 nan 4.420 nan 0.000 0.278 379 P C -0.728 176.458 177.300 -0.190 0.000 1.238 379 P CA -0.343 62.746 63.100 -0.019 0.000 0.794 379 P CB 0.973 32.772 31.700 0.164 0.000 0.955 380 F N 0.280 120.180 119.950 -0.083 0.000 2.382 380 F HA 0.176 4.703 4.527 -0.000 0.000 0.331 380 F C 1.743 177.458 175.800 -0.142 0.000 1.121 380 F CA 0.291 58.188 58.000 -0.171 0.000 1.183 380 F CB 0.667 39.519 39.000 -0.248 0.000 1.207 380 F HN 0.194 nan 8.300 nan 0.000 0.555 381 S N 1.895 117.618 115.700 0.039 0.000 2.531 381 S HA 0.071 4.541 4.470 -0.000 0.000 0.279 381 S C 0.941 175.490 174.600 -0.084 0.000 1.305 381 S CA -0.754 57.413 58.200 -0.054 0.000 1.058 381 S CB 0.126 63.275 63.200 -0.085 0.000 0.899 381 S HN 0.572 nan 8.310 nan 0.000 0.493 382 N N 3.619 122.230 118.700 -0.147 0.000 2.609 382 N HA -0.001 4.739 4.740 -0.000 0.000 0.190 382 N C 0.312 175.698 175.510 -0.206 0.000 1.157 382 N CA 0.368 53.279 53.050 -0.233 0.000 0.918 382 N CB -0.016 38.107 38.487 -0.606 0.000 0.978 382 N HN 0.601 nan 8.380 nan 0.000 0.448 383 D N -0.042 120.254 120.400 -0.173 0.000 2.350 383 D HA 0.060 4.700 4.640 -0.000 0.000 0.213 383 D C 0.895 177.134 176.300 -0.102 0.000 1.031 383 D CA 0.488 54.395 54.000 -0.154 0.000 0.861 383 D CB 0.458 41.156 40.800 -0.171 0.000 0.926 383 D HN 0.436 nan 8.370 nan 0.000 0.520 384 Q N -0.640 118.999 119.800 -0.269 0.000 2.157 384 Q HA 0.237 4.577 4.340 -0.000 0.000 0.235 384 Q C -0.122 175.264 176.000 -1.022 0.000 0.803 384 Q CA 0.044 55.456 55.803 -0.651 0.000 0.967 384 Q CB 2.602 31.101 28.738 -0.398 0.000 1.150 384 Q HN -0.096 nan 8.270 nan 0.000 0.482 385 V N 0.965 120.569 119.914 -0.517 0.000 3.114 385 V HA 0.380 4.500 4.120 -0.000 0.000 0.308 385 V C -0.420 175.791 176.094 0.196 0.000 1.168 385 V CA -0.856 61.243 62.300 -0.334 0.000 1.015 385 V CB 2.581 34.098 31.823 -0.510 0.000 1.050 385 V HN 0.124 nan 8.190 nan 0.000 0.433 386 L N 1.880 123.242 121.223 0.232 0.000 2.543 386 L HA 0.458 4.798 4.340 -0.000 0.000 0.231 386 L C 0.698 177.576 176.870 0.013 0.000 1.194 386 L CA -0.455 54.474 54.840 0.148 0.000 0.823 386 L CB 0.403 42.452 42.059 -0.017 0.000 1.374 386 L HN 0.647 nan 8.230 nan 0.000 0.507 387 M N 0.845 120.235 119.600 -0.350 0.000 2.248 387 M HA 0.036 4.516 4.480 -0.000 0.000 0.343 387 M C 0.568 176.879 176.300 0.019 0.000 1.243 387 M CA 0.226 55.368 55.300 -0.263 0.000 1.025 387 M CB 0.410 32.829 32.600 -0.302 0.000 1.759 387 M HN 0.615 nan 8.290 nan 0.000 0.452 388 G N 3.621 112.524 108.800 0.172 0.000 2.368 388 G HA2 0.405 4.365 3.960 -0.000 0.000 0.233 388 G HA3 0.405 4.365 3.960 -0.000 0.000 0.233 388 G C -0.569 174.479 174.900 0.248 0.000 1.267 388 G CA 0.086 45.357 45.100 0.284 0.000 0.873 388 G HN 1.129 nan 8.290 nan 0.000 0.539 389 A N 1.757 124.657 122.820 0.134 0.000 2.536 389 A HA 0.685 5.005 4.320 -0.000 0.000 0.293 389 A C -0.193 177.027 177.584 -0.608 0.000 1.119 389 A CA -0.747 51.154 52.037 -0.226 0.000 0.654 389 A CB 0.543 19.443 19.000 -0.167 0.000 1.291 389 A HN 0.682 nan 8.150 nan 0.000 0.439 390 E N -0.742 119.006 120.200 -0.754 0.000 2.425 390 E HA 0.413 4.763 4.350 -0.000 0.000 0.258 390 E C 0.422 176.976 176.600 -0.077 0.000 1.151 390 E CA 0.915 57.071 56.400 -0.407 0.000 0.958 390 E CB 0.595 30.261 29.700 -0.057 0.000 0.968 390 E HN 1.041 nan 8.360 nan 0.000 0.451 391 G N 0.054 108.973 108.800 0.199 0.000 2.548 391 G HA2 0.514 4.474 3.960 -0.000 0.000 0.301 391 G HA3 0.514 4.474 3.960 -0.000 0.000 0.301 391 G C -1.591 173.578 174.900 0.448 0.000 1.349 391 G CA -0.782 44.423 45.100 0.175 0.000 0.792 391 G HN 0.426 nan 8.290 nan 0.000 0.481 392 R N -0.884 119.851 120.500 0.392 0.000 2.643 392 R HA 0.663 5.003 4.340 -0.000 0.000 0.269 392 R C -1.670 174.846 176.300 0.359 0.000 1.037 392 R CA -0.739 55.577 56.100 0.359 0.000 0.894 392 R CB 1.674 32.126 30.300 0.253 0.000 1.238 392 R HN 0.460 nan 8.270 nan 0.000 0.459 393 L N 3.479 124.821 121.223 0.199 0.000 2.334 393 L HA 0.606 4.946 4.340 -0.000 0.000 0.276 393 L C -1.200 175.669 176.870 -0.001 0.000 1.014 393 L CA -0.847 54.145 54.840 0.253 0.000 0.815 393 L CB 1.574 43.760 42.059 0.211 0.000 1.268 393 L HN 0.618 nan 8.230 nan 0.000 0.428 394 Y N 1.546 121.935 120.300 0.148 0.000 2.634 394 Y HA 0.656 5.206 4.550 -0.000 0.000 0.340 394 Y C -0.366 175.465 175.900 -0.115 0.000 1.058 394 Y CA -0.975 57.090 58.100 -0.057 0.000 1.081 394 Y CB 2.107 40.413 38.460 -0.257 0.000 1.295 394 Y HN 0.383 nan 8.280 nan 0.000 0.487 395 M N 1.648 121.156 119.600 -0.154 0.000 2.204 395 M HA 0.465 4.945 4.480 -0.000 0.000 0.293 395 M C -2.291 173.727 176.300 -0.471 0.000 0.994 395 M CA -0.617 54.603 55.300 -0.133 0.000 0.925 395 M CB 0.953 33.543 32.600 -0.016 0.000 1.577 395 M HN 0.520 nan 8.290 nan 0.000 0.439 396 Y N 4.241 124.419 120.300 -0.203 0.000 2.447 396 Y HA 0.627 5.177 4.550 -0.000 0.000 0.325 396 Y C 0.942 176.692 175.900 -0.250 0.000 0.976 396 Y CA 0.111 57.876 58.100 -0.558 0.000 1.280 396 Y CB 1.081 38.737 38.460 -1.340 0.000 1.104 396 Y HN 0.969 nan 8.280 nan 0.000 0.486 397 G N 2.371 111.148 108.800 -0.039 0.000 2.561 397 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.289 397 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.289 397 G C 0.504 175.471 174.900 0.112 0.000 1.169 397 G CA 0.527 45.664 45.100 0.062 0.000 0.980 397 G HN 0.519 nan 8.290 nan 0.000 0.550 398 D N 1.278 121.772 120.400 0.157 0.000 2.349 398 D HA 0.298 4.938 4.640 -0.000 0.000 0.214 398 D C 0.818 177.273 176.300 0.259 0.000 1.063 398 D CA 0.794 54.913 54.000 0.198 0.000 0.847 398 D CB 0.354 41.249 40.800 0.159 0.000 0.933 398 D HN 0.269 nan 8.370 nan 0.000 0.513 399 S N 0.348 116.201 115.700 0.255 0.000 2.508 399 S HA 0.371 4.841 4.470 -0.000 0.000 0.284 399 S C 0.213 174.987 174.600 0.289 0.000 1.192 399 S CA -0.648 57.726 58.200 0.290 0.000 1.070 399 S CB 2.540 66.015 63.200 0.460 0.000 1.004 399 S HN -0.144 nan 8.310 nan 0.000 0.493 400 V N 3.803 123.799 119.914 0.137 0.000 2.481 400 V HA 0.434 4.554 4.120 -0.000 0.000 0.286 400 V C -1.008 175.239 176.094 0.255 0.000 1.042 400 V CA -0.390 61.974 62.300 0.106 0.000 0.928 400 V CB 0.553 32.268 31.823 -0.181 0.000 0.986 400 V HN 0.777 nan 8.190 nan 0.000 0.462 401 Y N 3.101 123.555 120.300 0.257 0.000 2.570 401 Y HA 0.632 5.182 4.550 0.000 0.000 0.345 401 Y C -0.710 175.489 175.900 0.498 0.000 1.014 401 Y CA -0.932 57.380 58.100 0.352 0.000 1.063 401 Y CB 2.086 40.762 38.460 0.360 0.000 1.272 401 Y HN 0.614 nan 8.280 nan 0.000 0.477 402 Y N 2.659 123.217 120.300 0.430 0.000 2.442 402 Y HA 0.466 5.016 4.550 -0.000 0.000 0.344 402 Y C -1.916 174.259 175.900 0.458 0.000 0.976 402 Y CA -1.770 56.577 58.100 0.411 0.000 1.040 402 Y CB 1.091 39.676 38.460 0.207 0.000 1.228 402 Y HN 0.553 nan 8.280 nan 0.000 0.451 403 Y N 5.948 126.175 120.300 -0.122 0.000 2.341 403 Y HA 0.519 5.069 4.550 0.000 0.000 0.337 403 Y C -1.044 174.387 175.900 -0.782 0.000 1.014 403 Y CA -0.677 57.264 58.100 -0.266 0.000 1.111 403 Y CB 1.326 39.798 38.460 0.019 0.000 1.194 403 Y HN 0.723 nan 8.280 nan 0.000 0.462 404 Q N 7.040 125.989 119.800 -1.418 0.000 2.333 404 Q HA 0.333 4.673 4.340 -0.000 0.000 0.268 404 Q C -0.744 174.498 176.000 -1.264 0.000 1.007 404 Q CA -1.087 54.013 55.803 -1.172 0.000 0.810 404 Q CB 1.091 29.550 28.738 -0.465 0.000 1.264 404 Q HN 0.926 nan 8.270 nan 0.000 0.452 405 R N 2.316 122.214 120.500 -1.003 0.000 2.640 405 R HA 0.073 4.413 4.340 -0.000 0.000 0.270 405 R C -0.867 175.206 176.300 -0.377 0.000 1.024 405 R CA 0.398 56.137 56.100 -0.602 0.000 1.085 405 R CB 0.553 30.672 30.300 -0.302 0.000 0.963 405 R HN 0.506 nan 8.270 nan 0.000 0.426 406 S N 3.648 119.185 115.700 -0.272 0.000 2.955 406 S HA 0.072 4.542 4.470 -0.000 0.000 0.294 406 S C 0.096 174.593 174.600 -0.172 0.000 1.198 406 S CA -0.444 57.622 58.200 -0.224 0.000 1.008 406 S CB 0.272 63.334 63.200 -0.231 0.000 1.279 406 S HN 0.633 nan 8.310 nan 0.000 0.508 407 N N 1.355 119.960 118.700 -0.160 0.000 2.230 407 N HA 0.191 4.931 4.740 -0.000 0.000 0.202 407 N C 0.610 176.021 175.510 -0.165 0.000 1.119 407 N CA 0.028 53.009 53.050 -0.115 0.000 0.851 407 N CB 0.491 38.946 38.487 -0.054 0.000 0.990 407 N HN 0.427 nan 8.380 nan 0.000 0.497 408 S N -1.449 114.123 115.700 -0.212 0.000 2.702 408 S HA 0.256 4.726 4.470 -0.000 0.000 0.272 408 S C 0.991 175.493 174.600 -0.162 0.000 1.068 408 S CA -0.692 57.359 58.200 -0.248 0.000 0.964 408 S CB -0.204 62.810 63.200 -0.310 0.000 1.307 408 S HN 0.359 nan 8.310 nan 0.000 0.567 409 W N 0.370 121.608 121.300 -0.104 0.000 2.418 409 W HA 0.106 4.766 4.660 0.000 0.000 0.292 409 W C 0.875 177.454 176.519 0.100 0.000 1.213 409 W CA -0.307 57.026 57.345 -0.020 0.000 1.283 409 W CB -0.937 28.521 29.460 -0.004 0.000 1.119 409 W HN 0.477 nan 8.180 nan 0.000 0.542 410 W N 6.614 127.434 121.300 -0.800 0.000 2.437 410 W HA 0.113 4.773 4.660 0.000 0.000 0.312 410 W C -1.639 174.671 176.519 -0.348 0.000 1.242 410 W CA -1.926 55.038 57.345 -0.636 0.000 1.340 410 W CB 0.882 29.680 29.460 -1.103 0.000 1.327 410 W HN -0.216 nan 8.180 nan 0.000 0.476 411 P HA -0.011 nan 4.420 nan 0.000 0.255 411 P C 0.191 177.118 177.300 -0.623 0.000 1.301 411 P CA 0.500 63.301 63.100 -0.498 0.000 0.817 411 P CB 0.266 31.764 31.700 -0.338 0.000 1.259 412 M N -0.306 118.674 119.600 -1.033 0.000 2.478 412 M HA 0.251 4.731 4.480 -0.000 0.000 0.327 412 M C 0.517 176.604 176.300 -0.356 0.000 1.187 412 M CA -0.563 54.317 55.300 -0.700 0.000 1.022 412 M CB 0.177 32.293 32.600 -0.807 0.000 1.629 412 M HN -0.316 nan 8.290 nan 0.000 0.461 413 T N 3.561 117.980 114.554 -0.224 0.000 2.822 413 T HA 0.091 4.441 4.350 -0.000 0.000 0.288 413 T C 0.267 174.851 174.700 -0.193 0.000 0.991 413 T CA 0.278 62.282 62.100 -0.160 0.000 1.176 413 T CB -0.226 68.489 68.868 -0.255 0.000 0.951 413 T HN 0.319 nan 8.240 nan 0.000 0.526 414 M N 5.049 124.529 119.600 -0.200 0.000 2.066 414 M HA 0.416 4.896 4.480 -0.000 0.000 0.340 414 M C -0.614 175.436 176.300 -0.417 0.000 1.053 414 M CA -0.328 54.760 55.300 -0.353 0.000 0.983 414 M CB 0.617 33.029 32.600 -0.314 0.000 1.520 414 M HN 0.455 nan 8.290 nan 0.000 0.428 415 L N 4.337 125.271 121.223 -0.482 0.000 2.365 415 L HA 0.650 4.990 4.340 -0.000 0.000 0.273 415 L C -1.413 175.267 176.870 -0.316 0.000 1.000 415 L CA -0.840 53.857 54.840 -0.239 0.000 0.819 415 L CB 1.926 43.899 42.059 -0.144 0.000 1.284 415 L HN 0.502 nan 8.230 nan 0.000 0.418 416 Y N 0.554 120.902 120.300 0.080 0.000 2.492 416 Y HA 0.391 4.941 4.550 -0.000 0.000 0.346 416 Y C -0.298 175.476 175.900 -0.210 0.000 0.997 416 Y CA -1.068 57.028 58.100 -0.008 0.000 1.025 416 Y CB 1.887 40.288 38.460 -0.098 0.000 1.263 416 Y HN 0.393 nan 8.280 nan 0.000 0.454 417 K N 2.193 122.429 120.400 -0.273 0.000 2.258 417 K HA 0.622 4.942 4.320 -0.000 0.000 0.284 417 K C -1.408 174.992 176.600 -0.334 0.000 1.051 417 K CA -0.359 55.431 56.287 -0.828 0.000 0.923 417 K CB 0.656 32.771 32.500 -0.641 0.000 1.046 417 K HN 0.577 nan 8.250 nan 0.000 0.474 418 V N 3.856 123.629 119.914 -0.235 0.000 2.427 418 V HA 0.230 4.350 4.120 -0.000 0.000 0.286 418 V C -0.231 175.797 176.094 -0.111 0.000 1.034 418 V CA -0.689 61.559 62.300 -0.086 0.000 0.893 418 V CB 1.666 33.500 31.823 0.017 0.000 0.982 418 V HN 0.831 nan 8.190 nan 0.000 0.452 419 T N 6.512 121.006 114.554 -0.100 0.000 2.756 419 T HA 0.605 4.955 4.350 -0.000 0.000 0.290 419 T C -0.192 174.454 174.700 -0.090 0.000 0.985 419 T CA -0.067 61.986 62.100 -0.079 0.000 0.955 419 T CB 0.474 69.296 68.868 -0.076 0.000 0.930 419 T HN 0.386 nan 8.240 nan 0.000 0.451 420 I N 3.068 123.603 120.570 -0.059 0.000 2.336 420 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 420 I C 0.416 176.540 176.117 0.011 0.000 0.991 420 I CA -0.650 60.596 61.300 -0.091 0.000 1.227 420 I CB 1.566 39.505 38.000 -0.102 0.000 1.366 420 I HN 0.449 nan 8.210 nan 0.000 0.466 421 T N 6.114 120.601 114.554 -0.113 0.000 2.795 421 T HA 0.507 4.857 4.350 -0.000 0.000 0.282 421 T C -0.543 174.070 174.700 -0.146 0.000 0.980 421 T CA -0.242 61.836 62.100 -0.036 0.000 1.012 421 T CB 0.540 69.366 68.868 -0.071 0.000 0.936 421 T HN 0.097 nan 8.240 nan 0.000 0.457 422 F N 1.778 121.665 119.950 -0.104 0.000 2.436 422 F HA 0.457 4.984 4.527 -0.000 0.000 0.340 422 F C 0.906 176.652 175.800 -0.090 0.000 1.113 422 F CA -0.733 57.190 58.000 -0.128 0.000 1.022 422 F CB 1.815 40.743 39.000 -0.121 0.000 1.128 422 F HN 0.348 nan 8.300 nan 0.000 0.466 423 T N 3.191 117.770 114.554 0.043 0.000 2.864 423 T HA 0.268 4.618 4.350 -0.000 0.000 0.310 423 T C -0.307 174.421 174.700 0.046 0.000 1.040 423 T CA -0.871 61.245 62.100 0.027 0.000 0.977 423 T CB 0.029 68.884 68.868 -0.023 0.000 0.976 423 T HN 0.725 nan 8.240 nan 0.000 0.459 424 N N 2.190 120.930 118.700 0.067 0.000 2.783 424 N HA -0.206 4.534 4.740 -0.000 0.000 0.247 424 N C 0.981 176.563 175.510 0.119 0.000 1.089 424 N CA 0.384 53.477 53.050 0.072 0.000 0.690 424 N CB -1.020 37.498 38.487 0.053 0.000 0.991 424 N HN 1.127 nan 8.380 nan 0.000 0.552 425 G N -0.657 108.241 108.800 0.163 0.000 2.168 425 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.263 425 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.263 425 G C -0.202 174.933 174.900 0.392 0.000 0.977 425 G CA 0.766 46.016 45.100 0.250 0.000 0.659 425 G HN 0.516 nan 8.290 nan 0.000 0.533 426 Q N -0.164 119.760 119.800 0.207 0.000 2.356 426 Q HA 0.395 4.735 4.340 -0.000 0.000 0.270 426 Q C -2.841 172.819 176.000 -0.567 0.000 1.058 426 Q CA -2.165 53.556 55.803 -0.138 0.000 0.802 426 Q CB 2.692 31.408 28.738 -0.037 0.000 1.303 426 Q HN 0.067 nan 8.270 nan 0.000 0.444 427 P HA -0.078 nan 4.420 nan 0.000 0.263 427 P C 0.071 176.980 177.300 -0.652 0.000 1.195 427 P CA 0.646 62.978 63.100 -1.280 0.000 0.762 427 P CB 0.658 31.636 31.700 -1.203 0.000 0.799 428 S N 2.593 118.000 115.700 -0.488 0.000 2.554 428 S HA 0.577 5.047 4.470 -0.000 0.000 0.227 428 S C 0.470 174.922 174.600 -0.247 0.000 1.050 428 S CA 0.145 58.173 58.200 -0.287 0.000 0.927 428 S CB 0.339 63.428 63.200 -0.186 0.000 0.859 428 S HN 0.535 nan 8.310 nan 0.000 0.494 429 A N 1.214 123.865 122.820 -0.281 0.000 2.599 429 A HA 0.700 5.020 4.320 -0.000 0.000 0.294 429 A C -1.316 176.108 177.584 -0.268 0.000 1.055 429 A CA -0.980 50.913 52.037 -0.240 0.000 0.683 429 A CB 0.708 19.608 19.000 -0.166 0.000 1.278 429 A HN 0.859 nan 8.150 nan 0.000 0.412 430 I N -1.397 119.002 120.570 -0.285 0.000 2.689 430 I HA 0.900 5.070 4.170 -0.000 0.000 0.299 430 I C -0.448 175.557 176.117 -0.187 0.000 1.059 430 I CA -0.675 60.450 61.300 -0.293 0.000 1.055 430 I CB 2.252 39.947 38.000 -0.508 0.000 1.243 430 I HN 0.554 nan 8.210 nan 0.000 0.425 431 S N 3.313 118.948 115.700 -0.109 0.000 2.538 431 S HA 0.881 5.351 4.470 -0.000 0.000 0.288 431 S C -0.845 173.734 174.600 -0.035 0.000 1.108 431 S CA -0.363 57.798 58.200 -0.066 0.000 0.971 431 S CB 1.696 64.840 63.200 -0.092 0.000 1.041 431 S HN 1.057 nan 8.310 nan 0.000 0.483 432 A N 3.370 126.152 122.820 -0.064 0.000 2.355 432 A HA 0.740 5.060 4.320 -0.000 0.000 0.317 432 A C -0.739 176.760 177.584 -0.142 0.000 1.094 432 A CA -0.638 51.317 52.037 -0.136 0.000 0.764 432 A CB 1.417 20.165 19.000 -0.420 0.000 1.230 432 A HN 0.781 nan 8.150 nan 0.000 0.448 433 Q N 2.418 122.155 119.800 -0.106 0.000 2.339 433 Q HA 0.244 4.584 4.340 -0.000 0.000 0.268 433 Q C -0.739 175.311 176.000 0.084 0.000 1.027 433 Q CA -0.477 55.245 55.803 -0.135 0.000 0.759 433 Q CB 0.892 29.344 28.738 -0.476 0.000 1.244 433 Q HN 0.900 nan 8.270 nan 0.000 0.464 434 N N 2.760 121.567 118.700 0.179 0.000 2.518 434 N HA 0.100 4.840 4.740 -0.000 0.000 0.266 434 N C -0.864 174.798 175.510 0.254 0.000 1.196 434 N CA -0.124 52.987 53.050 0.101 0.000 0.947 434 N CB 0.933 39.498 38.487 0.131 0.000 1.098 434 N HN 0.355 nan 8.380 nan 0.000 0.450 435 V N 6.017 125.993 119.914 0.102 0.000 2.339 435 V HA 0.216 4.336 4.120 -0.000 0.000 0.261 435 V C -1.834 174.251 176.094 -0.015 0.000 1.058 435 V CA -1.404 60.916 62.300 0.034 0.000 0.897 435 V CB 0.688 32.460 31.823 -0.085 0.000 1.052 435 V HN 0.672 nan 8.190 nan 0.000 0.480 436 P HA 0.115 nan 4.420 nan 0.000 0.261 436 P C -0.083 177.247 177.300 0.050 0.000 1.203 436 P CA 0.608 63.732 63.100 0.040 0.000 0.767 436 P CB 0.597 32.325 31.700 0.047 0.000 0.785 437 T N 0.140 114.752 114.554 0.097 0.000 2.787 437 T HA 0.472 4.822 4.350 -0.000 0.000 0.297 437 T C -0.072 174.776 174.700 0.247 0.000 1.221 437 T CA -0.607 61.578 62.100 0.142 0.000 1.006 437 T CB 1.905 70.854 68.868 0.134 0.000 1.328 437 T HN 0.452 nan 8.240 nan 0.000 0.509 438 Q N -0.226 119.686 119.800 0.187 0.000 2.013 438 Q HA 0.359 4.699 4.340 -0.000 0.000 0.233 438 Q C -0.679 175.316 176.000 -0.008 0.000 0.834 438 Q CA -0.768 55.140 55.803 0.175 0.000 1.040 438 Q CB 0.616 29.475 28.738 0.201 0.000 1.248 438 Q HN 0.371 nan 8.270 nan 0.000 0.425 439 Q N 0.734 120.543 119.800 0.015 0.000 2.345 439 Q HA 0.503 4.843 4.340 -0.000 0.000 0.268 439 Q C -0.560 175.374 176.000 -0.110 0.000 1.054 439 Q CA -0.742 55.027 55.803 -0.056 0.000 0.835 439 Q CB 2.407 31.136 28.738 -0.014 0.000 1.339 439 Q HN 0.257 nan 8.270 nan 0.000 0.447 440 V N 2.655 122.357 119.914 -0.353 0.000 3.765 440 V HA -0.151 3.969 4.120 -0.000 0.000 0.447 440 V C -2.252 173.628 176.094 -0.356 0.000 0.680 440 V CA 0.046 62.002 62.300 -0.572 0.000 1.894 440 V CB -0.808 30.679 31.823 -0.559 0.000 2.321 440 V HN 0.673 nan 8.190 nan 0.000 0.492 441 P HA 0.629 nan 4.420 nan 0.000 0.284 441 P C -0.990 176.281 177.300 -0.047 0.000 1.287 441 P CA -0.552 62.420 63.100 -0.213 0.000 0.824 441 P CB 1.615 33.203 31.700 -0.187 0.000 1.180 442 R N 0.252 120.719 120.500 -0.055 0.000 2.795 442 R HA 0.524 4.864 4.340 -0.000 0.000 0.275 442 R C -3.006 173.297 176.300 0.005 0.000 0.981 442 R CA -2.479 53.635 56.100 0.024 0.000 0.917 442 R CB 0.958 31.262 30.300 0.006 0.000 1.202 442 R HN 0.259 nan 8.270 nan 0.000 0.469 443 P HA 0.255 nan 4.420 nan 0.000 0.271 443 P C -0.454 176.853 177.300 0.011 0.000 1.216 443 P CA 0.107 63.220 63.100 0.021 0.000 0.776 443 P CB 1.127 32.850 31.700 0.037 0.000 0.881 444 G N 0.519 109.318 108.800 -0.002 0.000 2.694 444 G HA2 0.490 4.450 3.960 -0.000 0.000 0.290 444 G HA3 0.490 4.450 3.960 -0.000 0.000 0.290 444 G C -1.362 173.532 174.900 -0.009 0.000 1.386 444 G CA -0.431 44.663 45.100 -0.010 0.000 0.872 444 G HN 0.487 nan 8.290 nan 0.000 0.475 445 T N -0.800 113.744 114.554 -0.018 0.000 2.928 445 T HA 0.562 4.912 4.350 -0.000 0.000 0.284 445 T C 1.375 176.061 174.700 -0.023 0.000 1.008 445 T CA 1.666 63.753 62.100 -0.021 0.000 1.057 445 T CB 0.484 69.332 68.868 -0.033 0.000 1.018 445 T HN 2.207 nan 8.240 nan 0.000 0.493 446 G N 4.006 112.795 108.800 -0.018 0.000 2.629 446 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.313 446 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.313 446 G C 0.436 175.334 174.900 -0.003 0.000 1.217 446 G CA 0.613 45.706 45.100 -0.012 0.000 0.994 446 G HN 0.769 nan 8.290 nan 0.000 0.549 447 D N 0.660 121.062 120.400 0.003 0.000 2.325 447 D HA 0.210 4.850 4.640 -0.000 0.000 0.234 447 D C 0.865 177.181 176.300 0.027 0.000 1.122 447 D CA 0.873 54.882 54.000 0.016 0.000 0.850 447 D CB -0.297 40.515 40.800 0.020 0.000 0.921 447 D HN 0.403 nan 8.370 nan 0.000 0.513 448 c N 1.239 119.846 118.600 0.012 0.000 2.751 448 c HA 0.236 4.806 4.570 -0.000 0.000 0.248 448 c C 1.328 175.412 174.090 -0.009 0.000 1.710 448 c CA -0.973 55.364 56.329 0.013 0.000 1.676 448 c CB -1.288 41.215 42.510 -0.013 0.000 3.106 448 c HN 0.174 nan 8.230 nan 0.000 0.502 449 S N 1.233 116.929 115.700 -0.007 0.000 2.632 449 S HA 0.614 5.084 4.470 -0.000 0.000 0.267 449 S C 1.385 175.962 174.600 -0.037 0.000 1.193 449 S CA 0.364 58.553 58.200 -0.018 0.000 1.003 449 S CB 0.644 63.838 63.200 -0.010 0.000 1.073 449 S HN 0.540 nan 8.310 nan 0.000 0.553 450 A N 0.359 123.154 122.820 -0.041 0.000 2.125 450 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 450 A C 2.139 179.675 177.584 -0.081 0.000 1.156 450 A CA 1.696 53.690 52.037 -0.071 0.000 0.671 450 A CB -1.606 17.371 19.000 -0.038 0.000 0.794 450 A HN 1.101 nan 8.150 nan 0.000 0.459 451 T N -2.762 111.767 114.554 -0.042 0.000 3.107 451 T HA 0.090 4.440 4.350 -0.000 0.000 0.249 451 T C 0.624 175.323 174.700 -0.001 0.000 1.096 451 T CA 0.155 62.239 62.100 -0.026 0.000 1.012 451 T CB -0.571 68.292 68.868 -0.009 0.000 0.977 451 T HN 0.336 nan 8.240 nan 0.000 0.527 452 N N 1.207 119.912 118.700 0.008 0.000 2.482 452 N HA 0.217 4.957 4.740 -0.000 0.000 0.260 452 N C 0.844 176.444 175.510 0.150 0.000 1.236 452 N CA -0.304 52.791 53.050 0.076 0.000 0.938 452 N CB 0.516 39.062 38.487 0.098 0.000 1.128 452 N HN 0.024 nan 8.380 nan 0.000 0.448 453 R N 1.108 121.756 120.500 0.248 0.000 2.504 453 R HA 0.221 4.561 4.340 -0.000 0.000 0.341 453 R C -0.753 175.787 176.300 0.400 0.000 0.905 453 R CA -0.147 56.213 56.100 0.434 0.000 1.133 453 R CB -0.671 29.816 30.300 0.312 0.000 1.704 453 R HN 0.453 nan 8.270 nan 0.000 0.503 454 C N 2.821 122.252 119.300 0.218 0.000 2.355 454 C HA 0.522 4.982 4.460 -0.000 0.000 0.332 454 C C -2.234 172.593 174.990 -0.271 0.000 1.255 454 C CA -1.798 57.200 59.018 -0.034 0.000 1.792 454 C CB 1.939 29.646 27.740 -0.055 0.000 2.300 454 C HN 0.048 nan 8.230 nan 0.000 0.515 455 P HA 0.438 nan 4.420 nan 0.000 0.267 455 P C 0.200 177.086 177.300 -0.691 0.000 1.200 455 P CA 1.119 63.242 63.100 -1.629 0.000 0.772 455 P CB 0.470 31.293 31.700 -1.461 0.000 0.855 456 G N 0.951 109.432 108.800 -0.531 0.000 2.316 456 G HA2 0.285 4.245 3.960 -0.000 0.000 0.296 456 G HA3 0.285 4.245 3.960 -0.000 0.000 0.296 456 G C -1.996 172.943 174.900 0.065 0.000 1.399 456 G CA -0.774 44.255 45.100 -0.118 0.000 0.833 456 G HN 0.355 nan 8.290 nan 0.000 0.565 457 F N 0.620 120.596 119.950 0.043 0.000 2.427 457 F HA 0.652 5.179 4.527 -0.000 0.000 0.352 457 F C 0.296 176.142 175.800 0.076 0.000 1.100 457 F CA -0.233 57.817 58.000 0.083 0.000 1.191 457 F CB 0.568 39.613 39.000 0.074 0.000 1.128 457 F HN 0.522 nan 8.300 nan 0.000 0.533 458 c N 5.915 123.936 118.600 -0.964 0.000 2.994 458 c HA 0.633 5.203 4.570 -0.000 0.000 0.305 458 c C -0.822 172.767 174.090 -0.834 0.000 1.251 458 c CA -1.043 54.920 56.329 -0.610 0.000 1.478 458 c CB 1.536 43.917 42.510 -0.215 0.000 1.922 458 c HN 0.809 nan 8.230 nan 0.000 0.472 459 L N 2.741 123.707 121.223 -0.427 0.000 2.472 459 L HA 0.607 4.947 4.340 -0.000 0.000 0.256 459 L C -0.316 176.464 176.870 -0.149 0.000 1.560 459 L CA 0.691 55.365 54.840 -0.275 0.000 0.805 459 L CB 0.608 42.544 42.059 -0.205 0.000 1.017 459 L HN 0.890 nan 8.230 nan 0.000 0.519 460 T N 0.054 114.541 114.554 -0.112 0.000 2.885 460 T HA 0.852 5.202 4.350 -0.000 0.000 0.322 460 T C -0.551 174.129 174.700 -0.033 0.000 1.387 460 T CA 0.197 62.267 62.100 -0.050 0.000 1.041 460 T CB 1.497 70.330 68.868 -0.058 0.000 1.287 460 T HN 0.998 nan 8.240 nan 0.000 0.491 461 G N 0.890 109.697 108.800 0.012 0.000 2.350 461 G HA2 0.472 4.432 3.960 -0.000 0.000 0.282 461 G HA3 0.472 4.432 3.960 -0.000 0.000 0.282 461 G C -1.740 173.207 174.900 0.078 0.000 1.314 461 G CA 0.142 45.251 45.100 0.015 0.000 0.915 461 G HN 1.632 nan 8.290 nan 0.000 0.499 462 V N -1.821 118.136 119.914 0.071 0.000 3.147 462 V HA 0.696 4.816 4.120 -0.000 0.000 0.306 462 V C -0.921 175.188 176.094 0.024 0.000 1.209 462 V CA -1.162 61.219 62.300 0.135 0.000 1.023 462 V CB 1.653 33.598 31.823 0.203 0.000 1.059 462 V HN 1.392 nan 8.190 nan 0.000 0.435 463 Y N 1.736 121.835 120.300 -0.334 0.000 2.335 463 Y HA 0.678 5.228 4.550 0.000 0.000 0.331 463 Y C 0.277 176.083 175.900 -0.156 0.000 1.094 463 Y CA 0.054 57.904 58.100 -0.417 0.000 1.253 463 Y CB 1.038 38.811 38.460 -1.144 0.000 1.203 463 Y HN 1.082 nan 8.280 nan 0.000 0.508 464 A N 5.811 128.429 122.820 -0.336 0.000 2.893 464 A HA 0.290 4.610 4.320 -0.000 0.000 0.298 464 A C -1.139 176.050 177.584 -0.659 0.000 1.227 464 A CA -0.719 51.205 52.037 -0.188 0.000 0.845 464 A CB -0.449 18.590 19.000 0.065 0.000 1.430 464 A HN 0.825 nan 8.150 nan 0.000 0.493 465 D N 1.478 121.215 120.400 -1.104 0.000 2.384 465 D HA 0.691 5.331 4.640 -0.000 0.000 0.244 465 D C 0.268 176.276 176.300 -0.486 0.000 1.251 465 D CA 0.273 53.341 54.000 -1.554 0.000 0.961 465 D CB 0.998 41.182 40.800 -1.027 0.000 1.116 465 D HN 0.918 nan 8.370 nan 0.000 0.484 466 A N -0.779 121.868 122.820 -0.288 0.000 2.549 466 A HA 0.460 4.780 4.320 -0.000 0.000 0.297 466 A C -1.771 175.864 177.584 0.084 0.000 1.061 466 A CA -0.980 51.078 52.037 0.035 0.000 0.690 466 A CB 1.315 20.335 19.000 0.033 0.000 1.287 466 A HN 0.593 nan 8.150 nan 0.000 0.402 467 W N 4.169 125.507 121.300 0.063 0.000 2.433 467 W HA 0.558 5.218 4.660 0.000 0.000 0.315 467 W C -1.753 174.848 176.519 0.136 0.000 1.087 467 W CA -0.751 56.651 57.345 0.095 0.000 1.205 467 W CB 1.184 30.752 29.460 0.180 0.000 1.288 467 W HN 0.593 nan 8.180 nan 0.000 0.504 468 L N 7.459 128.493 121.223 -0.314 0.000 2.325 468 L HA 0.081 4.421 4.340 -0.000 0.000 0.284 468 L C 1.236 178.144 176.870 0.064 0.000 1.089 468 L CA -0.167 54.561 54.840 -0.187 0.000 0.836 468 L CB 0.860 42.581 42.059 -0.564 0.000 1.184 468 L HN 0.463 nan 8.230 nan 0.000 0.444 469 L N 2.088 123.515 121.223 0.341 0.000 2.554 469 L HA 0.101 4.441 4.340 -0.000 0.000 0.226 469 L C 0.660 177.769 176.870 0.399 0.000 1.137 469 L CA 0.606 55.760 54.840 0.522 0.000 0.863 469 L CB -0.071 42.313 42.059 0.543 0.000 0.985 469 L HN 0.582 nan 8.230 nan 0.000 0.451 470 T N -0.868 113.789 114.554 0.171 0.000 2.906 470 T HA 0.231 4.581 4.350 -0.000 0.000 0.295 470 T C -0.636 173.762 174.700 -0.503 0.000 1.061 470 T CA -0.588 61.495 62.100 -0.029 0.000 1.000 470 T CB 2.058 70.910 68.868 -0.027 0.000 1.103 470 T HN -0.142 nan 8.240 nan 0.000 0.486 471 N N 2.649 120.837 118.700 -0.853 0.000 2.411 471 N HA 0.262 5.002 4.740 -0.000 0.000 0.259 471 N C -1.912 173.133 175.510 -0.774 0.000 1.103 471 N CA -1.978 50.136 53.050 -1.560 0.000 0.954 471 N CB 1.547 39.334 38.487 -1.166 0.000 1.085 471 N HN 0.191 nan 8.380 nan 0.000 0.485 472 P HA -0.001 nan 4.420 nan 0.000 0.222 472 P C 0.589 177.611 177.300 -0.464 0.000 1.147 472 P CA 0.947 63.673 63.100 -0.622 0.000 0.790 472 P CB 0.398 31.586 31.700 -0.854 0.000 0.780 473 S N -1.439 114.159 115.700 -0.170 0.000 2.562 473 S HA 0.014 4.484 4.470 -0.000 0.000 0.221 473 S C 1.743 176.335 174.600 -0.014 0.000 0.975 473 S CA 0.509 58.764 58.200 0.092 0.000 0.918 473 S CB -0.615 62.706 63.200 0.201 0.000 0.772 473 S HN 0.126 nan 8.310 nan 0.000 0.531 474 S N 1.787 117.412 115.700 -0.126 0.000 2.555 474 S HA 0.001 4.471 4.470 -0.000 0.000 0.230 474 S C 1.051 175.615 174.600 -0.061 0.000 0.978 474 S CA 0.457 58.602 58.200 -0.091 0.000 0.934 474 S CB -0.113 63.007 63.200 -0.133 0.000 0.766 474 S HN 0.771 nan 8.310 nan 0.000 0.533 475 T N -0.416 114.097 114.554 -0.070 0.000 2.859 475 T HA 0.399 4.749 4.350 -0.000 0.000 0.281 475 T C 1.288 175.986 174.700 -0.003 0.000 1.005 475 T CA -0.235 61.838 62.100 -0.046 0.000 1.025 475 T CB 1.719 70.540 68.868 -0.078 0.000 0.977 475 T HN 0.066 nan 8.240 nan 0.000 0.458 476 S N 2.408 118.111 115.700 0.006 0.000 2.380 476 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 476 S C 0.949 175.575 174.600 0.044 0.000 1.043 476 S CA 0.976 59.191 58.200 0.024 0.000 1.038 476 S CB -0.923 62.286 63.200 0.016 0.000 0.872 476 S HN 0.826 nan 8.310 nan 0.000 0.456 477 T N 2.946 117.523 114.554 0.038 0.000 2.770 477 T HA 0.437 4.787 4.350 -0.000 0.000 0.297 477 T C -0.546 174.205 174.700 0.085 0.000 0.997 477 T CA -0.693 61.448 62.100 0.068 0.000 0.949 477 T CB 0.277 69.172 68.868 0.045 0.000 0.941 477 T HN 0.309 nan 8.240 nan 0.000 0.457 478 F N 3.355 123.301 119.950 -0.005 0.000 2.500 478 F HA 0.214 4.741 4.527 -0.000 0.000 0.409 478 F C 1.453 177.250 175.800 -0.005 0.000 0.982 478 F CA 1.521 59.517 58.000 -0.007 0.000 1.163 478 F CB -0.079 38.922 39.000 0.002 0.000 0.942 478 F HN 0.894 nan 8.300 nan 0.000 0.535 479 G N 3.476 111.835 108.800 -0.736 0.000 2.187 479 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.261 479 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.261 479 G C 1.209 175.981 174.900 -0.213 0.000 1.000 479 G CA 1.071 45.843 45.100 -0.547 0.000 0.718 479 G HN 1.360 nan 8.290 nan 0.000 0.519 480 S N -0.992 114.629 115.700 -0.133 0.000 2.400 480 S HA -0.007 4.463 4.470 -0.000 0.000 0.232 480 S C 0.871 175.434 174.600 -0.062 0.000 1.025 480 S CA 1.732 59.895 58.200 -0.062 0.000 0.993 480 S CB 0.215 63.393 63.200 -0.036 0.000 0.808 480 S HN 0.787 nan 8.310 nan 0.000 0.478 481 E N 0.433 120.579 120.200 -0.090 0.000 2.580 481 E HA 0.609 4.959 4.350 -0.000 0.000 0.248 481 E C -1.302 175.241 176.600 -0.094 0.000 1.018 481 E CA -0.397 55.959 56.400 -0.072 0.000 0.775 481 E CB 1.295 30.958 29.700 -0.061 0.000 1.378 481 E HN 0.502 nan 8.360 nan 0.000 0.401 482 A N 2.687 125.468 122.820 -0.066 0.000 2.350 482 A HA 0.753 5.073 4.320 -0.000 0.000 0.324 482 A C -0.449 177.158 177.584 0.038 0.000 1.118 482 A CA -0.526 51.483 52.037 -0.048 0.000 0.783 482 A CB 1.825 20.787 19.000 -0.063 0.000 1.236 482 A HN 0.395 nan 8.150 nan 0.000 0.457 483 T N 2.144 116.721 114.554 0.038 0.000 2.841 483 T HA 0.709 5.059 4.350 -0.000 0.000 0.283 483 T C -0.794 173.992 174.700 0.144 0.000 1.000 483 T CA -0.073 62.024 62.100 -0.004 0.000 0.977 483 T CB 0.533 69.387 68.868 -0.023 0.000 0.979 483 T HN 0.732 nan 8.240 nan 0.000 0.446 484 F N -0.827 119.166 119.950 0.073 0.000 2.685 484 F HA 0.892 5.419 4.527 -0.000 0.000 0.315 484 F C -0.474 175.405 175.800 0.132 0.000 1.126 484 F CA -1.087 56.979 58.000 0.110 0.000 0.950 484 F CB 1.605 40.647 39.000 0.070 0.000 1.360 484 F HN 0.503 nan 8.300 nan 0.000 0.469 485 T N -0.355 114.379 114.554 0.300 0.000 2.903 485 T HA 0.839 5.189 4.350 -0.000 0.000 0.299 485 T C -0.548 174.107 174.700 -0.075 0.000 1.093 485 T CA 0.095 62.168 62.100 -0.045 0.000 1.002 485 T CB 1.482 70.394 68.868 0.074 0.000 1.127 485 T HN 1.706 nan 8.240 nan 0.000 0.488 486 G N 1.485 109.980 108.800 -0.508 0.000 2.364 486 G HA2 0.530 4.490 3.960 -0.000 0.000 0.286 486 G HA3 0.530 4.490 3.960 -0.000 0.000 0.286 486 G C -1.095 173.794 174.900 -0.018 0.000 1.241 486 G CA 0.017 45.087 45.100 -0.050 0.000 0.887 486 G HN 1.332 nan 8.290 nan 0.000 0.484 487 S N -1.167 114.740 115.700 0.345 0.000 2.600 487 S HA 0.903 5.373 4.470 -0.000 0.000 0.300 487 S C -0.968 173.990 174.600 0.597 0.000 1.087 487 S CA -0.506 57.944 58.200 0.418 0.000 0.965 487 S CB 2.112 65.476 63.200 0.275 0.000 1.089 487 S HN 2.157 nan 8.310 nan 0.000 0.496 488 Y N -0.899 119.571 120.300 0.282 0.000 2.592 488 Y HA 0.622 5.172 4.550 -0.000 0.000 0.334 488 Y C -2.128 173.838 175.900 0.110 0.000 1.136 488 Y CA -1.676 56.528 58.100 0.172 0.000 1.042 488 Y CB 0.589 39.101 38.460 0.087 0.000 1.325 488 Y HN 0.680 nan 8.280 nan 0.000 0.457 489 L N 3.842 125.023 121.223 -0.069 0.000 2.295 489 L HA 0.284 4.624 4.340 -0.000 0.000 0.288 489 L C 0.096 176.791 176.870 -0.291 0.000 1.079 489 L CA -0.356 54.384 54.840 -0.165 0.000 0.830 489 L CB 0.269 42.334 42.059 0.010 0.000 1.200 489 L HN 0.619 nan 8.230 nan 0.000 0.438 490 N N 2.723 121.096 118.700 -0.545 0.000 2.549 490 N HA 0.149 4.889 4.740 -0.000 0.000 0.267 490 N C -0.639 174.800 175.510 -0.119 0.000 1.182 490 N CA 0.413 53.239 53.050 -0.373 0.000 1.019 490 N CB 0.225 38.454 38.487 -0.431 0.000 1.380 490 N HN 0.629 nan 8.380 nan 0.000 0.505 491 T N -0.158 114.373 114.554 -0.039 0.000 2.770 491 T HA 0.490 4.840 4.350 -0.000 0.000 0.323 491 T C 0.433 175.134 174.700 0.002 0.000 1.683 491 T CA -0.021 62.068 62.100 -0.017 0.000 1.024 491 T CB 0.574 69.428 68.868 -0.022 0.000 1.557 491 T HN 0.218 nan 8.240 nan 0.000 0.494 492 A N 0.523 123.343 122.820 -0.001 0.000 1.898 492 A HA 0.167 4.487 4.320 -0.000 0.000 0.214 492 A C 1.886 179.470 177.584 -0.000 0.000 1.183 492 A CA 2.246 54.282 52.037 -0.002 0.000 0.622 492 A CB -0.581 18.416 19.000 -0.005 0.000 0.824 492 A HN 1.050 nan 8.150 nan 0.000 0.444 493 T N -4.181 110.375 114.554 0.003 0.000 2.986 493 T HA 0.291 4.641 4.350 -0.000 0.000 0.264 493 T C 0.503 175.214 174.700 0.018 0.000 0.964 493 T CA -0.243 61.861 62.100 0.007 0.000 0.895 493 T CB 0.023 68.893 68.868 0.003 0.000 1.163 493 T HN 0.372 nan 8.240 nan 0.000 0.517 494 Q N 1.020 120.831 119.800 0.017 0.000 2.214 494 Q HA 0.506 4.846 4.340 -0.000 0.000 0.251 494 Q C -0.468 175.556 176.000 0.040 0.000 0.936 494 Q CA -0.785 55.034 55.803 0.027 0.000 0.894 494 Q CB 1.748 30.496 28.738 0.016 0.000 1.252 494 Q HN 0.189 nan 8.270 nan 0.000 0.448 495 R N 1.852 122.390 120.500 0.064 0.000 3.266 495 R HA 0.295 4.635 4.340 -0.000 0.000 0.224 495 R C -0.840 175.504 176.300 0.073 0.000 1.525 495 R CA 0.031 56.185 56.100 0.091 0.000 1.364 495 R CB -0.319 30.065 30.300 0.140 0.000 1.276 495 R HN 0.379 nan 8.270 nan 0.000 0.660 496 I N 0.571 121.162 120.570 0.035 0.000 3.095 496 I HA 0.202 4.372 4.170 -0.000 0.000 0.310 496 I C -0.770 175.330 176.117 -0.029 0.000 1.196 496 I CA -0.671 60.636 61.300 0.012 0.000 0.985 496 I CB 1.952 39.952 38.000 -0.001 0.000 1.250 496 I HN 0.405 nan 8.210 nan 0.000 0.446 497 N N 1.889 120.568 118.700 -0.035 0.000 2.726 497 N HA -0.105 4.635 4.740 -0.000 0.000 0.253 497 N C -2.523 172.918 175.510 -0.116 0.000 1.059 497 N CA 0.157 53.159 53.050 -0.079 0.000 0.701 497 N CB -1.466 36.952 38.487 -0.114 0.000 0.899 497 N HN 0.299 nan 8.380 nan 0.000 0.548 498 P HA 0.057 nan 4.420 nan 0.000 0.264 498 P C -0.444 176.798 177.300 -0.095 0.000 1.193 498 P CA 0.637 63.718 63.100 -0.032 0.000 0.763 498 P CB 0.716 32.466 31.700 0.083 0.000 0.810 499 T N 4.316 118.776 114.554 -0.157 0.000 2.937 499 T HA 0.403 4.753 4.350 -0.000 0.000 0.297 499 T C 0.186 174.936 174.700 0.084 0.000 0.991 499 T CA -0.465 61.571 62.100 -0.107 0.000 0.990 499 T CB 0.837 69.566 68.868 -0.233 0.000 0.991 499 T HN 0.286 nan 8.240 nan 0.000 0.440 500 M N 3.690 123.253 119.600 -0.062 0.000 2.249 500 M HA 0.595 5.075 4.480 -0.000 0.000 0.351 500 M C -0.606 175.700 176.300 0.011 0.000 1.180 500 M CA -0.411 54.772 55.300 -0.195 0.000 1.127 500 M CB 0.643 32.819 32.600 -0.706 0.000 1.546 500 M HN 0.820 nan 8.290 nan 0.000 0.461 501 Y N 0.329 120.632 120.300 0.005 0.000 2.725 501 Y HA 0.844 5.394 4.550 0.000 0.000 0.333 501 Y C -1.862 174.050 175.900 0.021 0.000 1.242 501 Y CA -1.599 56.510 58.100 0.015 0.000 1.059 501 Y CB 1.217 39.700 38.460 0.037 0.000 1.306 501 Y HN 0.562 nan 8.280 nan 0.000 0.454 502 I N 1.836 122.480 120.570 0.124 0.000 2.582 502 I HA 0.849 5.019 4.170 -0.000 0.000 0.292 502 I C -0.745 175.394 176.117 0.036 0.000 1.066 502 I CA -1.063 60.241 61.300 0.007 0.000 1.053 502 I CB 2.042 40.014 38.000 -0.047 0.000 1.241 502 I HN 0.975 nan 8.210 nan 0.000 0.421 503 A N 4.383 127.060 122.820 -0.238 0.000 2.594 503 A HA 0.820 5.140 4.320 -0.000 0.000 0.291 503 A C -1.393 175.775 177.584 -0.693 0.000 1.105 503 A CA -0.675 51.080 52.037 -0.470 0.000 0.694 503 A CB 1.935 20.585 19.000 -0.583 0.000 1.291 503 A HN 0.771 nan 8.150 nan 0.000 0.410 504 N N -0.528 117.927 118.700 -0.408 0.000 2.906 504 N HA 0.287 5.027 4.740 -0.000 0.000 0.327 504 N C 0.051 175.517 175.510 -0.075 0.000 1.344 504 N CA -0.496 52.419 53.050 -0.225 0.000 0.823 504 N CB -0.194 38.221 38.487 -0.120 0.000 1.351 504 N HN 0.422 nan 8.380 nan 0.000 0.604 505 N N -1.738 116.992 118.700 0.049 0.000 2.334 505 N HA -0.140 4.600 4.740 -0.000 0.000 0.187 505 N C 0.655 176.205 175.510 0.066 0.000 1.016 505 N CA 2.114 55.231 53.050 0.111 0.000 0.879 505 N CB -0.283 38.242 38.487 0.064 0.000 0.965 505 N HN 0.856 nan 8.380 nan 0.000 0.438 506 T N -5.405 109.151 114.554 0.004 0.000 2.969 506 T HA 0.254 4.604 4.350 -0.000 0.000 0.258 506 T C 0.267 174.936 174.700 -0.053 0.000 0.962 506 T CA -0.354 61.740 62.100 -0.010 0.000 0.903 506 T CB 0.609 69.473 68.868 -0.006 0.000 1.177 506 T HN -0.052 nan 8.240 nan 0.000 0.511 507 Q N 0.121 119.869 119.800 -0.087 0.000 2.456 507 Q HA 0.593 4.933 4.340 -0.000 0.000 0.284 507 Q C -1.493 174.409 176.000 -0.164 0.000 1.061 507 Q CA -0.886 54.850 55.803 -0.113 0.000 0.799 507 Q CB 2.875 31.563 28.738 -0.083 0.000 1.445 507 Q HN 0.304 nan 8.270 nan 0.000 0.411 508 I N 3.308 123.779 120.570 -0.166 0.000 2.312 508 I HA 0.136 4.306 4.170 -0.000 0.000 0.291 508 I C 1.106 177.164 176.117 -0.098 0.000 1.031 508 I CA 0.056 61.257 61.300 -0.166 0.000 1.293 508 I CB 0.542 38.436 38.000 -0.176 0.000 1.403 508 I HN 0.656 nan 8.210 nan 0.000 0.484 509 I N 1.963 122.478 120.570 -0.091 0.000 3.883 509 I HA 0.299 4.469 4.170 -0.000 0.000 0.326 509 I C 0.466 176.552 176.117 -0.053 0.000 1.283 509 I CA 0.221 61.477 61.300 -0.074 0.000 1.161 509 I CB 0.398 38.344 38.000 -0.090 0.000 1.012 509 I HN 0.466 nan 8.210 nan 0.000 0.421 510 S N 0.600 116.284 115.700 -0.027 0.000 2.583 510 S HA 0.573 5.043 4.470 -0.000 0.000 0.294 510 S C -0.782 173.837 174.600 0.031 0.000 1.121 510 S CA 0.017 58.208 58.200 -0.015 0.000 0.910 510 S CB 1.302 64.480 63.200 -0.037 0.000 1.102 510 S HN 0.612 nan 8.310 nan 0.000 0.451 511 S N 3.444 119.158 115.700 0.024 0.000 2.567 511 S HA 0.737 5.207 4.470 -0.000 0.000 0.270 511 S C -1.686 172.917 174.600 0.005 0.000 1.152 511 S CA -0.675 57.561 58.200 0.060 0.000 0.835 511 S CB 1.910 65.189 63.200 0.133 0.000 1.115 511 S HN 0.863 nan 8.310 nan 0.000 0.459 512 Q N 1.145 120.935 119.800 -0.017 0.000 2.296 512 Q HA 0.302 4.642 4.340 -0.000 0.000 0.254 512 Q C -1.435 174.522 176.000 -0.071 0.000 0.936 512 Q CA -0.214 55.556 55.803 -0.055 0.000 0.834 512 Q CB 1.916 30.603 28.738 -0.084 0.000 1.340 512 Q HN 0.845 nan 8.270 nan 0.000 0.428 513 Q N 3.029 122.790 119.800 -0.065 0.000 2.373 513 Q HA 0.258 4.598 4.340 -0.000 0.000 0.255 513 Q C -1.367 174.588 176.000 -0.074 0.000 0.980 513 Q CA -0.145 55.611 55.803 -0.078 0.000 0.882 513 Q CB 0.686 29.370 28.738 -0.089 0.000 1.249 513 Q HN 0.559 nan 8.270 nan 0.000 0.438 514 F N 3.404 123.232 119.950 -0.204 0.000 2.443 514 F HA 0.587 5.114 4.527 -0.000 0.000 0.335 514 F C 0.426 176.156 175.800 -0.116 0.000 1.104 514 F CA 0.939 58.811 58.000 -0.214 0.000 1.013 514 F CB 0.919 39.698 39.000 -0.368 0.000 1.136 514 F HN 0.810 nan 8.300 nan 0.000 0.470 515 G N 3.230 111.341 108.800 -1.148 0.000 2.741 515 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.222 515 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.222 515 G C -0.890 173.802 174.900 -0.348 0.000 1.364 515 G CA -0.511 44.134 45.100 -0.758 0.000 0.866 515 G HN 1.381 nan 8.290 nan 0.000 0.555 516 S N -0.707 114.854 115.700 -0.232 0.000 2.616 516 S HA 0.729 5.199 4.470 -0.000 0.000 0.277 516 S C 0.547 175.083 174.600 -0.107 0.000 1.234 516 S CA 0.268 58.380 58.200 -0.148 0.000 1.028 516 S CB 1.747 64.877 63.200 -0.117 0.000 0.988 516 S HN 1.628 nan 8.310 nan 0.000 0.522 517 S N 1.127 116.775 115.700 -0.086 0.000 2.573 517 S HA 0.410 4.880 4.470 -0.000 0.000 0.297 517 S C 1.510 176.078 174.600 -0.054 0.000 1.280 517 S CA 0.753 58.913 58.200 -0.066 0.000 1.061 517 S CB -0.132 63.034 63.200 -0.056 0.000 0.812 517 S HN 1.726 nan 8.310 nan 0.000 0.500 518 G N 1.827 110.601 108.800 -0.043 0.000 2.232 518 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.226 518 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.226 518 G C 0.073 174.959 174.900 -0.024 0.000 0.996 518 G CA 0.154 45.236 45.100 -0.031 0.000 0.626 518 G HN 0.754 nan 8.290 nan 0.000 0.509 519 Q N 2.313 122.096 119.800 -0.028 0.000 2.264 519 Q HA 0.381 4.721 4.340 -0.000 0.000 0.296 519 Q C 0.410 176.425 176.000 0.025 0.000 1.103 519 Q CA 0.588 56.389 55.803 -0.005 0.000 0.967 519 Q CB -0.023 28.714 28.738 -0.002 0.000 1.090 519 Q HN 0.583 nan 8.270 nan 0.000 0.379 520 E N 1.918 122.131 120.200 0.022 0.000 2.366 520 E HA 0.517 4.867 4.350 -0.000 0.000 0.266 520 E C -0.916 175.751 176.600 0.111 0.000 1.051 520 E CA 0.181 56.608 56.400 0.045 0.000 0.884 520 E CB 0.945 30.641 29.700 -0.007 0.000 1.006 520 E HN 0.762 nan 8.360 nan 0.000 0.417 521 A N 1.111 124.039 122.820 0.179 0.000 2.557 521 A HA 0.814 5.134 4.320 -0.000 0.000 0.292 521 A C -1.103 176.670 177.584 0.314 0.000 1.139 521 A CA 0.147 52.345 52.037 0.268 0.000 0.665 521 A CB 1.256 20.380 19.000 0.207 0.000 1.285 521 A HN 0.638 nan 8.150 nan 0.000 0.433 522 A N -1.201 121.797 122.820 0.295 0.000 2.497 522 A HA 0.713 5.033 4.320 -0.000 0.000 0.186 522 A C -0.836 176.983 177.584 0.392 0.000 1.242 522 A CA -0.150 52.042 52.037 0.258 0.000 1.625 522 A CB -0.394 18.600 19.000 -0.011 0.000 2.054 522 A HN 0.934 nan 8.150 nan 0.000 0.753 523 Y N 0.486 120.867 120.300 0.134 0.000 2.426 523 Y HA 0.467 5.017 4.550 0.000 0.000 0.344 523 Y C 0.998 177.074 175.900 0.294 0.000 1.256 523 Y CA -0.408 57.841 58.100 0.249 0.000 1.451 523 Y CB 0.045 38.629 38.460 0.207 0.000 1.342 523 Y HN 0.654 nan 8.280 nan 0.000 0.600 524 G N 1.638 110.767 108.800 0.549 0.000 2.739 524 G HA2 0.356 4.316 3.960 -0.000 0.000 0.291 524 G HA3 0.356 4.316 3.960 -0.000 0.000 0.291 524 G C -1.680 173.494 174.900 0.457 0.000 1.478 524 G CA -0.601 44.764 45.100 0.442 0.000 1.062 524 G HN 0.700 nan 8.290 nan 0.000 0.532 525 H N 1.688 120.942 119.070 0.307 0.000 2.511 525 H HA 0.455 5.011 4.556 0.000 0.000 0.328 525 H C -0.541 174.908 175.328 0.202 0.000 1.044 525 H CA -0.315 55.920 56.048 0.311 0.000 1.212 525 H CB 2.239 32.173 29.762 0.286 0.000 1.428 525 H HN 0.367 nan 8.280 nan 0.000 0.483 526 T N 3.009 117.725 114.554 0.269 0.000 2.823 526 T HA 0.345 4.695 4.350 -0.000 0.000 0.279 526 T C -0.023 174.797 174.700 0.200 0.000 0.998 526 T CA -0.508 61.639 62.100 0.079 0.000 0.994 526 T CB 1.585 70.449 68.868 -0.007 0.000 0.960 526 T HN 0.502 nan 8.240 nan 0.000 0.448 527 T N 2.062 116.599 114.554 -0.028 0.000 2.971 527 T HA 0.502 4.852 4.350 -0.000 0.000 0.304 527 T C -0.665 173.737 174.700 -0.498 0.000 1.038 527 T CA -0.491 61.550 62.100 -0.098 0.000 1.007 527 T CB 0.703 69.743 68.868 0.287 0.000 1.055 527 T HN 0.713 nan 8.240 nan 0.000 0.451 528 c N 3.364 121.176 118.600 -1.313 0.000 2.529 528 c HA 0.997 5.567 4.570 -0.000 0.000 0.329 528 c C -0.782 173.081 174.090 -0.379 0.000 1.194 528 c CA -1.003 54.787 56.329 -0.899 0.000 1.779 528 c CB 0.106 42.041 42.510 -0.959 0.000 2.322 528 c HN 0.956 nan 8.230 nan 0.000 0.500 529 F N -0.616 119.167 119.950 -0.278 0.000 2.713 529 F HA 0.741 5.268 4.527 -0.000 0.000 0.311 529 F C -0.916 174.669 175.800 -0.359 0.000 1.141 529 F CA -1.180 56.735 58.000 -0.141 0.000 0.939 529 F CB 1.130 40.137 39.000 0.011 0.000 1.325 529 F HN 0.595 nan 8.300 nan 0.000 0.453 530 R N 1.328 121.724 120.500 -0.172 0.000 2.589 530 R HA 0.384 4.724 4.340 -0.000 0.000 0.293 530 R C -1.622 174.848 176.300 0.282 0.000 0.963 530 R CA -0.592 55.421 56.100 -0.145 0.000 0.905 530 R CB 1.523 31.634 30.300 -0.314 0.000 1.144 530 R HN 0.864 nan 8.270 nan 0.000 0.459 531 D N 2.755 123.339 120.400 0.305 0.000 2.347 531 D HA 0.017 4.657 4.640 -0.000 0.000 0.235 531 D C 0.644 177.002 176.300 0.097 0.000 1.149 531 D CA -0.287 53.875 54.000 0.270 0.000 0.850 531 D CB 1.762 42.782 40.800 0.367 0.000 1.061 531 D HN 0.655 nan 8.370 nan 0.000 0.487 532 T N 0.358 114.939 114.554 0.044 0.000 3.160 532 T HA 0.123 4.473 4.350 -0.000 0.000 0.257 532 T C 1.547 176.251 174.700 0.007 0.000 1.147 532 T CA 0.440 62.560 62.100 0.034 0.000 1.064 532 T CB 0.138 69.032 68.868 0.043 0.000 0.949 532 T HN 0.342 nan 8.240 nan 0.000 0.526 533 G N 1.979 110.767 108.800 -0.020 0.000 2.471 533 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.211 533 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.211 533 G C 1.783 176.694 174.900 0.018 0.000 1.194 533 G CA 0.573 45.662 45.100 -0.019 0.000 0.816 533 G HN 0.642 nan 8.290 nan 0.000 0.545 534 S N -0.450 115.278 115.700 0.046 0.000 2.528 534 S HA 0.195 4.665 4.470 -0.000 0.000 0.219 534 S C 0.991 175.629 174.600 0.063 0.000 0.985 534 S CA 0.634 58.876 58.200 0.070 0.000 0.914 534 S CB 0.310 63.583 63.200 0.121 0.000 0.776 534 S HN 0.837 nan 8.310 nan 0.000 0.526 535 V N 1.791 121.738 119.914 0.056 0.000 5.658 535 V HA -0.211 3.909 4.120 -0.000 0.000 0.312 535 V C -0.174 175.933 176.094 0.021 0.000 0.480 535 V CA 1.616 63.939 62.300 0.038 0.000 0.684 535 V CB -2.646 29.201 31.823 0.040 0.000 0.426 535 V HN 0.838 nan 8.190 nan 0.000 1.241 536 M N -1.826 117.783 119.600 0.014 0.000 2.602 536 M HA 0.872 5.352 4.480 -0.000 0.000 0.312 536 M C -0.666 175.509 176.300 -0.207 0.000 1.181 536 M CA -0.961 54.284 55.300 -0.092 0.000 0.910 536 M CB 2.337 34.839 32.600 -0.164 0.000 1.723 536 M HN -0.122 nan 8.290 nan 0.000 0.459 537 V N 2.249 121.982 119.914 -0.301 0.000 2.439 537 V HA 0.428 4.548 4.120 -0.000 0.000 0.282 537 V C -1.153 174.601 176.094 -0.568 0.000 1.039 537 V CA -0.296 61.754 62.300 -0.416 0.000 0.913 537 V CB 0.926 32.580 31.823 -0.282 0.000 0.983 537 V HN 0.667 nan 8.190 nan 0.000 0.460 538 Y N 2.275 122.239 120.300 -0.560 0.000 2.468 538 Y HA 0.647 5.197 4.550 0.000 0.000 0.342 538 Y C 0.174 175.665 175.900 -0.682 0.000 1.021 538 Y CA -0.547 57.218 58.100 -0.558 0.000 1.079 538 Y CB 1.997 40.059 38.460 -0.663 0.000 1.226 538 Y HN 0.558 nan 8.280 nan 0.000 0.460 539 c N 3.837 122.291 118.600 -0.243 0.000 2.563 539 c HA 0.595 5.165 4.570 -0.000 0.000 0.314 539 c C -0.349 173.583 174.090 -0.263 0.000 1.199 539 c CA -1.171 54.940 56.329 -0.364 0.000 1.564 539 c CB 1.055 43.295 42.510 -0.450 0.000 2.173 539 c HN 0.811 nan 8.230 nan 0.000 0.485 540 I N 2.562 122.950 120.570 -0.304 0.000 2.354 540 I HA 0.500 4.670 4.170 -0.000 0.000 0.292 540 I C -1.512 174.399 176.117 -0.344 0.000 0.989 540 I CA -0.338 60.845 61.300 -0.195 0.000 1.188 540 I CB 0.765 38.639 38.000 -0.209 0.000 1.342 540 I HN 0.690 nan 8.210 nan 0.000 0.457 541 Y N 7.540 127.842 120.300 0.005 0.000 2.478 541 Y HA 0.443 4.993 4.550 -0.000 0.000 0.329 541 Y C 0.029 175.970 175.900 0.069 0.000 0.967 541 Y CA -0.744 57.396 58.100 0.066 0.000 1.255 541 Y CB 0.825 39.329 38.460 0.073 0.000 1.103 541 Y HN 0.359 nan 8.280 nan 0.000 0.497 542 I N 5.713 126.360 120.570 0.128 0.000 2.322 542 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 542 I C -0.305 175.921 176.117 0.181 0.000 1.060 542 I CA 0.122 61.446 61.300 0.041 0.000 1.309 542 I CB 0.203 38.189 38.000 -0.024 0.000 1.415 542 I HN 0.476 nan 8.210 nan 0.000 0.492 543 I N 6.332 126.998 120.570 0.159 0.000 2.465 543 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 543 I C 0.009 176.212 176.117 0.144 0.000 1.014 543 I CA -0.702 60.727 61.300 0.215 0.000 1.093 543 I CB 1.785 39.958 38.000 0.288 0.000 1.267 543 I HN 0.498 nan 8.210 nan 0.000 0.431 544 E N 6.895 127.190 120.200 0.158 0.000 2.104 544 E HA 0.319 4.669 4.350 -0.000 0.000 0.278 544 E C -0.978 175.805 176.600 0.305 0.000 1.127 544 E CA -0.144 56.334 56.400 0.129 0.000 0.897 544 E CB 0.802 30.448 29.700 -0.089 0.000 1.043 544 E HN 0.380 nan 8.360 nan 0.000 0.410 545 L N 2.335 123.727 121.223 0.283 0.000 2.317 545 L HA 0.232 4.572 4.340 -0.000 0.000 0.281 545 L C 0.470 177.443 176.870 0.172 0.000 1.024 545 L CA -0.682 54.310 54.840 0.253 0.000 0.810 545 L CB 1.810 43.982 42.059 0.189 0.000 1.240 545 L HN 0.396 nan 8.230 nan 0.000 0.427 546 S N 1.978 117.686 115.700 0.012 0.000 2.510 546 S HA 0.278 4.748 4.470 -0.000 0.000 0.279 546 S C 0.007 174.525 174.600 -0.137 0.000 1.284 546 S CA -0.650 57.369 58.200 -0.303 0.000 1.059 546 S CB 0.317 63.342 63.200 -0.293 0.000 0.901 546 S HN 0.654 nan 8.310 nan 0.000 0.491 547 S N 3.269 118.870 115.700 -0.164 0.000 2.532 547 S HA 0.524 4.994 4.470 -0.000 0.000 0.301 547 S C 0.737 175.283 174.600 -0.090 0.000 1.083 547 S CA -0.235 57.918 58.200 -0.078 0.000 1.025 547 S CB 1.687 64.857 63.200 -0.049 0.000 1.056 547 S HN 0.820 nan 8.310 nan 0.000 0.494 548 S N 1.372 117.038 115.700 -0.056 0.000 2.503 548 S HA 0.121 4.591 4.470 -0.000 0.000 0.215 548 S C 1.143 175.719 174.600 -0.040 0.000 1.003 548 S CA -0.143 58.026 58.200 -0.052 0.000 0.910 548 S CB -0.446 62.731 63.200 -0.039 0.000 0.790 548 S HN 0.527 nan 8.310 nan 0.000 0.514 549 L N 0.822 122.024 121.223 -0.034 0.000 2.228 549 L HA 0.484 4.824 4.340 -0.000 0.000 0.196 549 L C 0.034 176.886 176.870 -0.030 0.000 1.162 549 L CA 1.077 55.901 54.840 -0.027 0.000 0.801 549 L CB -0.259 41.787 42.059 -0.021 0.000 0.983 549 L HN 0.255 nan 8.230 nan 0.000 0.471 550 L N 0.638 121.842 121.223 -0.032 0.000 2.296 550 L HA 0.558 4.898 4.340 -0.000 0.000 0.286 550 L C 0.194 177.043 176.870 -0.035 0.000 1.023 550 L CA 0.261 55.082 54.840 -0.032 0.000 0.812 550 L CB -0.099 41.941 42.059 -0.032 0.000 1.223 550 L HN 0.556 nan 8.230 nan 0.000 0.421 551 G N 3.567 112.349 108.800 -0.029 0.000 2.819 551 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.682 551 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.682 551 G C 0.512 175.384 174.900 -0.047 0.000 1.481 551 G CA -0.346 44.741 45.100 -0.022 0.000 0.904 551 G HN 0.606 nan 8.290 nan 0.000 0.563 552 Q N -0.706 119.078 119.800 -0.028 0.000 2.046 552 Q HA 0.068 4.408 4.340 -0.000 0.000 0.200 552 Q C 0.848 176.643 176.000 -0.341 0.000 0.975 552 Q CA 1.549 57.271 55.803 -0.134 0.000 0.836 552 Q CB 0.133 28.887 28.738 0.027 0.000 0.896 552 Q HN 0.510 nan 8.270 nan 0.000 0.428 553 F N -0.655 119.262 119.950 -0.056 0.000 2.593 553 F HA 0.393 4.920 4.527 -0.000 0.000 0.320 553 F C -0.014 175.733 175.800 -0.088 0.000 1.060 553 F CA -0.948 57.015 58.000 -0.063 0.000 0.940 553 F CB 1.794 40.746 39.000 -0.080 0.000 1.268 553 F HN -0.241 nan 8.300 nan 0.000 0.475 554 Q N 2.573 122.442 119.800 0.115 0.000 2.320 554 Q HA 0.514 4.854 4.340 -0.000 0.000 0.268 554 Q C -1.402 174.583 176.000 -0.025 0.000 1.023 554 Q CA -0.410 55.389 55.803 -0.006 0.000 0.744 554 Q CB 1.363 30.076 28.738 -0.042 0.000 1.246 554 Q HN 0.652 nan 8.270 nan 0.000 0.462 555 I N 4.360 124.877 120.570 -0.088 0.000 2.379 555 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 555 I C -0.466 175.497 176.117 -0.256 0.000 1.063 555 I CA -0.482 60.749 61.300 -0.116 0.000 1.351 555 I CB 0.990 38.943 38.000 -0.079 0.000 1.410 555 I HN 0.315 nan 8.210 nan 0.000 0.505 556 V N 9.146 128.870 119.914 -0.315 0.000 2.459 556 V HA 0.344 4.464 4.120 -0.000 0.000 0.295 556 V C -2.108 173.615 176.094 -0.618 0.000 1.029 556 V CA -1.529 60.421 62.300 -0.583 0.000 0.874 556 V CB 1.825 33.102 31.823 -0.910 0.000 0.985 556 V HN 0.585 nan 8.190 nan 0.000 0.438 557 P HA 0.318 nan 4.420 nan 0.000 0.234 557 P C -0.613 176.427 177.300 -0.433 0.000 1.799 557 P CA -0.384 62.353 63.100 -0.606 0.000 1.118 557 P CB -0.022 31.105 31.700 -0.955 0.000 1.827 558 F N 2.961 122.795 119.950 -0.193 0.000 2.506 558 F HA 0.260 4.787 4.527 0.000 0.000 0.351 558 F C 1.282 177.075 175.800 -0.011 0.000 1.136 558 F CA 0.241 58.168 58.000 -0.121 0.000 1.298 558 F CB 0.635 39.562 39.000 -0.123 0.000 1.145 558 F HN 0.196 nan 8.300 nan 0.000 0.593 559 I N 3.840 124.523 120.570 0.190 0.000 2.656 559 I HA 0.602 4.772 4.170 -0.000 0.000 0.292 559 I C -0.972 175.223 176.117 0.130 0.000 1.144 559 I CA -0.568 60.826 61.300 0.157 0.000 1.038 559 I CB 1.648 39.702 38.000 0.090 0.000 1.244 559 I HN 0.849 nan 8.210 nan 0.000 0.420 560 R N 4.814 125.419 120.500 0.176 0.000 2.829 560 R HA 0.458 4.798 4.340 -0.000 0.000 0.267 560 R C -1.811 174.527 176.300 0.064 0.000 1.051 560 R CA -0.971 55.187 56.100 0.098 0.000 0.927 560 R CB 1.253 31.579 30.300 0.043 0.000 1.292 560 R HN 0.597 nan 8.270 nan 0.000 0.445 561 Q N 0.914 120.669 119.800 -0.076 0.000 2.257 561 Q HA 0.471 4.811 4.340 -0.000 0.000 0.262 561 Q C -1.363 174.550 176.000 -0.145 0.000 0.997 561 Q CA -0.969 54.666 55.803 -0.281 0.000 0.873 561 Q CB 2.326 30.832 28.738 -0.388 0.000 1.312 561 Q HN 0.442 nan 8.270 nan 0.000 0.450 562 V N 3.619 123.449 119.914 -0.140 0.000 2.294 562 V HA 0.232 4.352 4.120 -0.000 0.000 0.272 562 V C -0.427 175.633 176.094 -0.057 0.000 1.027 562 V CA -0.416 61.855 62.300 -0.048 0.000 0.823 562 V CB 1.060 32.915 31.823 0.054 0.000 1.030 562 V HN 0.835 nan 8.190 nan 0.000 0.457 563 T N 6.270 120.769 114.554 -0.092 0.000 2.832 563 T HA 0.389 4.739 4.350 -0.000 0.000 0.296 563 T C -0.076 174.541 174.700 -0.139 0.000 0.968 563 T CA -0.187 61.861 62.100 -0.086 0.000 1.107 563 T CB 1.155 69.979 68.868 -0.072 0.000 0.916 563 T HN 0.412 nan 8.240 nan 0.000 0.517 564 L N 3.629 124.788 121.223 -0.106 0.000 2.261 564 L HA 0.566 4.906 4.340 -0.000 0.000 0.289 564 L C 0.164 176.986 176.870 -0.081 0.000 1.059 564 L CA 0.354 55.101 54.840 -0.156 0.000 0.816 564 L CB 0.267 42.299 42.059 -0.044 0.000 1.191 564 L HN 0.880 nan 8.230 nan 0.000 0.431 565 S N 0.000 115.642 115.700 -0.097 0.000 2.498 565 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 565 S CA 0.000 58.163 58.200 -0.062 0.000 1.107 565 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 565 S HN 0.000 nan 8.310 nan 0.000 0.517