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 3gcx_1_A DATA FIRST_RESID 153 DATA SEQUENCE SIPWNLERIT PPRYRADEYQ XXXXGSLVEV YLLDTSIQSD HREIEGRVMV DATA SEQUENCE TDFENVPEEX XXXXXXXASK cDSHGTHLAG VVSGRDAGVA KGASMRSLRV DATA SEQUENCE LNcQGKGTVS GTLIGLEFIR KSQLVQPVGP LVVLLPLAGG YSRVLNAACQ DATA SEQUENCE RLARAGVVLV TAAGNFRDDA cLYSPASAPE VITVGATNAQ DQPVTLGTLG DATA SEQUENCE TNFGRcVDLF APGEDIIGAS SDCSTCFVSQ SGTSQAAAHV AGIAAMMLSA DATA SEQUENCE EPELTLAELR QRLIHFSAKD VINEAWFPED QRVLTPNLVA ALPPSTHXXX DATA SEQUENCE WQLFcRTVWS AHSGPTRMAT AIARcAPDEE LLScSSFSRS GKRRGERMEA DATA SEQUENCE QGGKLVcRAH NAFGGEGVYA IARccLLPQX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXH DATA SEQUENCE APGLEcKVKE HGIPAPQEQV TVAcEEGWTL TGcSALPGTS HVLGAYAVDN DATA SEQUENCE TcVVRSRXXX XXXXXXXXAV TAVAIccRSR 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 153 S HA 0.000 nan 4.470 nan 0.000 0.327 153 S C 0.000 174.580 174.600 -0.034 0.000 1.055 153 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 153 S CB 0.000 63.192 63.200 -0.014 0.000 0.593 154 I N 3.871 124.429 120.570 -0.020 0.000 2.447 154 I HA 0.613 4.782 4.170 -0.000 0.000 0.287 154 I C -2.874 173.234 176.117 -0.016 0.000 1.023 154 I CA -2.157 59.125 61.300 -0.030 0.000 1.083 154 I CB 1.873 39.857 38.000 -0.027 0.000 1.245 154 I HN 0.036 nan 8.210 nan 0.000 0.434 155 P HA -0.045 nan 4.420 nan 0.000 0.265 155 P C 0.592 177.862 177.300 -0.050 0.000 1.187 155 P CA -0.152 62.919 63.100 -0.048 0.000 0.766 155 P CB 0.245 31.866 31.700 -0.132 0.000 0.820 156 W N 4.765 126.058 121.300 -0.011 0.000 2.374 156 W HA -0.183 4.477 4.660 -0.000 0.000 0.288 156 W C 0.948 177.460 176.519 -0.011 0.000 1.218 156 W CA 1.369 58.705 57.345 -0.016 0.000 1.245 156 W CB -1.284 28.165 29.460 -0.019 0.000 1.126 156 W HN 0.346 nan 8.180 nan 0.000 0.545 157 N N 1.796 119.796 118.700 -1.167 0.000 2.331 157 N HA -0.146 4.594 4.740 -0.000 0.000 0.180 157 N C 1.847 177.109 175.510 -0.413 0.000 1.019 157 N CA 1.275 53.601 53.050 -1.207 0.000 0.881 157 N CB -1.068 36.661 38.487 -1.263 0.000 0.972 157 N HN 0.321 nan 8.380 nan 0.000 0.435 158 L N 0.815 121.874 121.223 -0.274 0.000 2.270 158 L HA 0.045 4.385 4.340 -0.000 0.000 0.210 158 L C 2.756 179.537 176.870 -0.147 0.000 1.104 158 L CA 0.697 55.432 54.840 -0.174 0.000 0.804 158 L CB -0.367 41.594 42.059 -0.164 0.000 0.937 158 L HN 0.226 nan 8.230 nan 0.000 0.450 159 E N 1.095 121.233 120.200 -0.103 0.000 2.072 159 E HA -0.281 4.069 4.350 -0.000 0.000 0.191 159 E C 2.234 178.812 176.600 -0.037 0.000 0.985 159 E CA 1.074 57.443 56.400 -0.052 0.000 0.801 159 E CB 0.096 29.805 29.700 0.013 0.000 0.750 159 E HN 0.181 nan 8.360 nan 0.000 0.452 160 R N 1.191 121.684 120.500 -0.013 0.000 2.081 160 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 160 R C 2.422 178.709 176.300 -0.022 0.000 1.131 160 R CA 1.762 57.879 56.100 0.028 0.000 0.960 160 R CB -0.754 29.605 30.300 0.097 0.000 0.856 160 R HN 0.471 nan 8.270 nan 0.000 0.436 161 I N -2.250 118.277 120.570 -0.072 0.000 3.564 161 I HA 0.173 4.343 4.170 -0.000 0.000 0.294 161 I C -0.213 175.815 176.117 -0.148 0.000 1.289 161 I CA 0.351 61.605 61.300 -0.077 0.000 1.325 161 I CB -0.065 37.901 38.000 -0.056 0.000 1.039 161 I HN -0.226 nan 8.210 nan 0.000 0.474 162 T N 5.506 119.948 114.554 -0.187 0.000 2.733 162 T HA 0.398 4.748 4.350 -0.000 0.000 0.294 162 T C -2.241 172.375 174.700 -0.141 0.000 0.956 162 T CA -1.005 60.908 62.100 -0.312 0.000 0.987 162 T CB 0.900 69.540 68.868 -0.380 0.000 0.920 162 T HN 0.160 nan 8.240 nan 0.000 0.470 163 P HA 0.245 nan 4.420 nan 0.000 0.274 163 P C -2.055 175.291 177.300 0.078 0.000 1.256 163 P CA -1.407 61.717 63.100 0.039 0.000 0.795 163 P CB 0.322 32.076 31.700 0.090 0.000 1.038 164 P HA -0.136 nan 4.420 nan 0.000 0.208 164 P C 0.328 177.691 177.300 0.105 0.000 1.189 164 P CA 1.682 64.830 63.100 0.080 0.000 0.931 164 P CB -0.278 31.463 31.700 0.068 0.000 0.783 165 R N -1.150 119.411 120.500 0.103 0.000 4.680 165 R HA 0.188 4.528 4.340 -0.000 0.000 0.222 165 R C -0.324 176.053 176.300 0.129 0.000 1.803 165 R CA -0.452 55.705 56.100 0.095 0.000 1.560 165 R CB -2.060 28.277 30.300 0.061 0.000 1.412 165 R HN 0.205 nan 8.270 nan 0.000 0.815 166 Y N 1.841 122.160 120.300 0.031 0.000 2.425 166 Y HA 0.230 4.780 4.550 0.000 0.000 0.331 166 Y C -0.138 175.795 175.900 0.056 0.000 1.157 166 Y CA -0.873 57.254 58.100 0.045 0.000 1.372 166 Y CB 0.770 39.252 38.460 0.036 0.000 1.253 166 Y HN 0.231 nan 8.280 nan 0.000 0.536 167 R N 5.731 125.898 120.500 -0.554 0.000 2.310 167 R HA 0.425 4.765 4.340 -0.000 0.000 0.316 167 R C 0.409 176.309 176.300 -0.666 0.000 1.004 167 R CA 0.064 55.894 56.100 -0.450 0.000 0.900 167 R CB 1.081 31.244 30.300 -0.227 0.000 1.152 167 R HN 0.877 nan 8.270 nan 0.000 0.513 168 A N 2.464 124.935 122.820 -0.581 0.000 1.969 168 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 168 A C 1.370 178.931 177.584 -0.038 0.000 1.169 168 A CA 1.506 53.361 52.037 -0.305 0.000 0.635 168 A CB -0.053 18.934 19.000 -0.021 0.000 0.810 168 A HN 0.671 nan 8.150 nan 0.000 0.445 169 D N -0.614 119.748 120.400 -0.063 0.000 2.349 169 D HA -0.078 4.562 4.640 -0.000 0.000 0.215 169 D C 1.293 177.573 176.300 -0.033 0.000 1.016 169 D CA 0.740 54.728 54.000 -0.020 0.000 0.870 169 D CB -0.376 40.407 40.800 -0.029 0.000 0.917 169 D HN 0.597 nan 8.370 nan 0.000 0.524 170 E N -0.773 119.371 120.200 -0.094 0.000 2.481 170 E HA -0.054 4.296 4.350 -0.000 0.000 0.195 170 E C -0.415 176.011 176.600 -0.290 0.000 1.047 170 E CA -0.003 56.279 56.400 -0.197 0.000 0.867 170 E CB 0.110 29.631 29.700 -0.297 0.000 0.858 170 E HN 0.279 nan 8.360 nan 0.000 0.513 171 Y N 1.235 121.519 120.300 -0.028 0.000 2.593 171 Y HA 0.257 4.807 4.550 0.000 0.000 0.331 171 Y C 0.234 176.141 175.900 0.012 0.000 0.986 171 Y CA -0.685 57.420 58.100 0.008 0.000 1.262 171 Y CB 0.644 39.117 38.460 0.022 0.000 1.098 171 Y HN -0.107 nan 8.280 nan 0.000 0.506 178 S N 0.773 116.479 115.700 0.011 0.000 2.565 178 S HA 0.719 5.189 4.470 -0.000 0.000 0.276 178 S C 0.024 174.634 174.600 0.016 0.000 1.326 178 S CA -0.397 57.811 58.200 0.014 0.000 1.045 178 S CB 0.946 64.155 63.200 0.016 0.000 0.918 178 S HN 0.659 nan 8.310 nan 0.000 0.505 179 L N 6.289 127.522 121.223 0.017 0.000 2.439 179 L HA 0.524 4.864 4.340 -0.000 0.000 0.270 179 L C -1.269 175.613 176.870 0.019 0.000 0.972 179 L CA -0.663 54.186 54.840 0.015 0.000 0.836 179 L CB 1.743 43.807 42.059 0.009 0.000 1.255 179 L HN 0.501 nan 8.230 nan 0.000 0.404 180 V N 4.283 124.209 119.914 0.020 0.000 2.488 180 V HA 0.269 4.389 4.120 -0.000 0.000 0.277 180 V C 0.159 176.260 176.094 0.012 0.000 1.046 180 V CA -0.351 61.964 62.300 0.024 0.000 0.986 180 V CB 1.350 33.189 31.823 0.027 0.000 0.989 180 V HN 0.739 nan 8.190 nan 0.000 0.475 181 E N 3.470 123.684 120.200 0.024 0.000 2.183 181 E HA 0.597 4.947 4.350 -0.000 0.000 0.271 181 E C -1.277 175.328 176.600 0.009 0.000 0.919 181 E CA -0.451 55.940 56.400 -0.015 0.000 0.781 181 E CB 1.969 31.659 29.700 -0.018 0.000 1.140 181 E HN 0.474 nan 8.360 nan 0.000 0.402 182 V N 4.957 124.838 119.914 -0.054 0.000 2.384 182 V HA 0.292 4.412 4.120 -0.000 0.000 0.287 182 V C -0.904 175.153 176.094 -0.061 0.000 1.020 182 V CA -0.707 61.592 62.300 -0.003 0.000 0.850 182 V CB 0.527 32.341 31.823 -0.014 0.000 0.987 182 V HN 0.655 nan 8.190 nan 0.000 0.436 183 Y N 4.664 124.983 120.300 0.032 0.000 2.327 183 Y HA 0.561 5.111 4.550 -0.001 0.000 0.336 183 Y C -0.046 175.879 175.900 0.042 0.000 1.035 183 Y CA -0.408 57.722 58.100 0.050 0.000 1.165 183 Y CB 1.651 40.154 38.460 0.072 0.000 1.181 183 Y HN 0.544 nan 8.280 nan 0.000 0.494 184 L N 5.366 126.686 121.223 0.161 0.000 2.298 184 L HA 0.513 4.853 4.340 -0.000 0.000 0.284 184 L C -1.633 175.325 176.870 0.147 0.000 1.013 184 L CA -0.631 54.279 54.840 0.117 0.000 0.824 184 L CB 0.777 42.866 42.059 0.050 0.000 1.221 184 L HN 0.498 nan 8.230 nan 0.000 0.418 185 L N 6.044 127.349 121.223 0.136 0.000 2.314 185 L HA 0.536 4.876 4.340 -0.000 0.000 0.275 185 L C -0.255 176.677 176.870 0.104 0.000 1.068 185 L CA 0.301 55.216 54.840 0.124 0.000 0.894 185 L CB 0.686 42.807 42.059 0.102 0.000 1.275 185 L HN 0.794 nan 8.230 nan 0.000 0.432 186 D N -0.545 119.918 120.400 0.105 0.000 4.224 186 D HA 0.411 5.051 4.640 -0.000 0.000 0.305 186 D C 0.117 176.474 176.300 0.094 0.000 1.612 186 D CA 0.218 54.287 54.000 0.114 0.000 0.977 186 D CB 0.867 41.757 40.800 0.149 0.000 1.419 186 D HN 0.334 nan 8.370 nan 0.000 0.661 187 T N -1.496 113.121 114.554 0.105 0.000 2.833 187 T HA 0.571 4.921 4.350 -0.000 0.000 0.292 187 T C 0.430 175.161 174.700 0.053 0.000 1.031 187 T CA -0.568 61.575 62.100 0.072 0.000 0.937 187 T CB 0.525 69.441 68.868 0.081 0.000 1.256 187 T HN 0.205 nan 8.240 nan 0.000 0.551 188 S N 0.002 115.722 115.700 0.034 0.000 2.580 188 S HA 0.356 4.826 4.470 -0.000 0.000 0.261 188 S C 0.009 174.617 174.600 0.014 0.000 1.366 188 S CA -0.586 57.623 58.200 0.016 0.000 0.996 188 S CB -0.282 62.923 63.200 0.009 0.000 0.902 188 S HN 0.721 nan 8.310 nan 0.000 0.566 189 I N 0.620 121.188 120.570 -0.002 0.000 2.656 189 I HA 0.241 4.411 4.170 -0.000 0.000 0.292 189 I C -0.821 175.287 176.117 -0.015 0.000 1.144 189 I CA -0.526 60.767 61.300 -0.013 0.000 1.038 189 I CB 1.811 39.798 38.000 -0.021 0.000 1.244 189 I HN 0.519 nan 8.210 nan 0.000 0.420 190 Q N 4.694 124.485 119.800 -0.014 0.000 2.553 190 Q HA 0.151 4.491 4.340 -0.000 0.000 0.221 190 Q C 0.728 176.731 176.000 0.006 0.000 1.219 190 Q CA -0.056 55.748 55.803 0.001 0.000 0.955 190 Q CB 0.768 29.519 28.738 0.021 0.000 1.399 190 Q HN 0.847 nan 8.270 nan 0.000 0.551 191 S N 1.975 117.671 115.700 -0.007 0.000 2.547 191 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 191 S C 0.276 174.875 174.600 -0.002 0.000 0.980 191 S CA 0.912 59.105 58.200 -0.012 0.000 0.941 191 S CB 0.174 63.360 63.200 -0.024 0.000 0.763 191 S HN 0.549 nan 8.310 nan 0.000 0.532 192 D N 0.323 120.726 120.400 0.005 0.000 2.340 192 D HA 0.126 4.766 4.640 -0.000 0.000 0.217 192 D C 0.296 176.589 176.300 -0.011 0.000 1.081 192 D CA -0.074 53.922 54.000 -0.008 0.000 0.842 192 D CB -0.258 40.529 40.800 -0.022 0.000 0.934 192 D HN 0.488 nan 8.370 nan 0.000 0.511 193 H N 1.467 120.491 119.070 -0.076 0.000 2.928 193 H HA 0.051 4.607 4.556 0.000 0.000 0.338 193 H C 1.487 176.759 175.328 -0.093 0.000 1.047 193 H CA 0.523 56.508 56.048 -0.106 0.000 1.435 193 H CB 0.826 30.501 29.762 -0.145 0.000 1.428 193 H HN -0.006 nan 8.280 nan 0.000 0.590 194 R N 2.900 123.206 120.500 -0.323 0.000 2.170 194 R HA -0.136 4.204 4.340 -0.000 0.000 0.242 194 R C 1.507 177.832 176.300 0.042 0.000 1.145 194 R CA 1.295 57.322 56.100 -0.123 0.000 0.984 194 R CB 0.210 30.412 30.300 -0.163 0.000 0.869 194 R HN 0.681 nan 8.270 nan 0.000 0.455 195 E N 0.225 120.554 120.200 0.215 0.000 2.150 195 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 195 E C 1.751 178.387 176.600 0.060 0.000 0.985 195 E CA 1.590 58.086 56.400 0.159 0.000 0.814 195 E CB 0.143 29.917 29.700 0.124 0.000 0.752 195 E HN 0.643 nan 8.360 nan 0.000 0.466 196 I N -2.935 117.665 120.570 0.051 0.000 4.557 196 I HA 0.263 4.433 4.170 -0.000 0.000 0.333 196 I C 0.624 176.739 176.117 -0.003 0.000 1.332 196 I CA -0.427 60.873 61.300 0.001 0.000 1.240 196 I CB 0.271 38.253 38.000 -0.031 0.000 1.312 196 I HN -0.261 nan 8.210 nan 0.000 0.457 197 E N 2.919 123.123 120.200 0.006 0.000 2.608 197 E HA 0.092 4.441 4.350 -0.000 0.000 0.259 197 E C 1.358 177.950 176.600 -0.014 0.000 0.951 197 E CA 1.504 57.899 56.400 -0.008 0.000 0.945 197 E CB 0.221 29.912 29.700 -0.015 0.000 0.916 197 E HN 0.611 nan 8.360 nan 0.000 0.477 198 G N 4.494 113.284 108.800 -0.018 0.000 2.179 198 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 198 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 198 G C 0.809 175.695 174.900 -0.022 0.000 0.977 198 G CA 0.556 45.645 45.100 -0.019 0.000 0.641 198 G HN 0.644 nan 8.290 nan 0.000 0.533 199 R N -0.840 119.643 120.500 -0.027 0.000 2.565 199 R HA 0.458 4.797 4.340 -0.000 0.000 0.347 199 R C -0.263 176.008 176.300 -0.048 0.000 1.010 199 R CA 0.209 56.289 56.100 -0.034 0.000 1.126 199 R CB 1.401 31.682 30.300 -0.031 0.000 1.331 199 R HN 0.260 nan 8.270 nan 0.000 0.552 200 V N 1.943 121.828 119.914 -0.047 0.000 2.531 200 V HA 0.429 4.549 4.120 -0.000 0.000 0.301 200 V C -0.173 175.888 176.094 -0.055 0.000 1.034 200 V CA -0.814 61.450 62.300 -0.060 0.000 0.865 200 V CB 1.965 33.755 31.823 -0.055 0.000 0.995 200 V HN 0.111 nan 8.190 nan 0.000 0.424 201 M N 4.383 123.943 119.600 -0.068 0.000 2.318 201 M HA 0.604 5.084 4.480 -0.000 0.000 0.347 201 M C -0.683 175.582 176.300 -0.058 0.000 1.175 201 M CA -0.577 54.691 55.300 -0.054 0.000 1.075 201 M CB 1.730 34.305 32.600 -0.043 0.000 1.614 201 M HN 0.360 nan 8.290 nan 0.000 0.456 202 V N 2.214 122.093 119.914 -0.059 0.000 2.513 202 V HA 0.616 4.736 4.120 -0.000 0.000 0.299 202 V C -0.094 175.926 176.094 -0.124 0.000 1.035 202 V CA -0.442 61.811 62.300 -0.078 0.000 0.889 202 V CB 2.091 33.871 31.823 -0.071 0.000 0.988 202 V HN 0.938 nan 8.190 nan 0.000 0.440 203 T N 2.973 117.409 114.554 -0.198 0.000 2.879 203 T HA 0.441 4.791 4.350 -0.000 0.000 0.290 203 T C -1.203 173.157 174.700 -0.568 0.000 0.993 203 T CA -0.613 61.241 62.100 -0.410 0.000 0.975 203 T CB 1.426 69.952 68.868 -0.570 0.000 0.981 203 T HN 0.607 nan 8.240 nan 0.000 0.439 204 D N 1.753 121.804 120.400 -0.582 0.000 2.248 204 D HA 0.518 5.158 4.640 -0.000 0.000 0.246 204 D C -0.765 175.125 176.300 -0.683 0.000 1.027 204 D CA -0.297 53.407 54.000 -0.493 0.000 0.853 204 D CB 1.487 42.151 40.800 -0.226 0.000 1.243 204 D HN 0.328 nan 8.370 nan 0.000 0.462 205 F N 0.436 120.321 119.950 -0.110 0.000 2.469 205 F HA 0.230 4.756 4.527 -0.000 0.000 0.332 205 F C 1.877 177.645 175.800 -0.053 0.000 1.103 205 F CA -0.748 57.197 58.000 -0.092 0.000 0.979 205 F CB 1.385 40.328 39.000 -0.094 0.000 1.137 205 F HN 0.264 nan 8.300 nan 0.000 0.463 206 E N 0.969 121.247 120.200 0.129 0.000 2.448 206 E HA -0.185 4.165 4.350 -0.000 0.000 0.203 206 E C -0.375 176.263 176.600 0.064 0.000 1.046 206 E CA 0.857 57.297 56.400 0.067 0.000 0.871 206 E CB -0.145 29.586 29.700 0.052 0.000 0.790 206 E HN 0.568 nan 8.360 nan 0.000 0.545 207 N N -0.572 118.181 118.700 0.088 0.000 2.480 207 N HA 0.254 4.994 4.740 -0.000 0.000 0.289 207 N C -1.737 173.805 175.510 0.054 0.000 1.073 207 N CA -0.443 52.639 53.050 0.053 0.000 0.885 207 N CB 2.333 40.837 38.487 0.030 0.000 1.421 207 N HN -0.222 nan 8.380 nan 0.000 0.503 208 V N 2.568 122.505 119.914 0.039 0.000 2.733 208 V HA 0.464 4.583 4.120 -0.000 0.000 0.306 208 V C -2.110 173.995 176.094 0.018 0.000 1.084 208 V CA -1.505 60.813 62.300 0.030 0.000 0.905 208 V CB 1.711 33.557 31.823 0.039 0.000 1.010 208 V HN 0.560 nan 8.190 nan 0.000 0.424 209 P HA -0.082 nan 4.420 nan 0.000 0.272 209 P C 0.132 177.436 177.300 0.007 0.000 1.210 209 P CA 0.144 63.248 63.100 0.007 0.000 0.789 209 P CB 0.421 32.123 31.700 0.004 0.000 0.849 210 E N 2.138 122.341 120.200 0.005 0.000 2.765 210 E HA -0.120 4.230 4.350 -0.000 0.000 0.256 210 E C 0.027 176.629 176.600 0.004 0.000 0.935 210 E CA 0.756 57.158 56.400 0.005 0.000 0.954 210 E CB 0.214 29.916 29.700 0.003 0.000 0.908 210 E HN 0.527 nan 8.360 nan 0.000 0.500 221 S N 0.098 115.803 115.700 0.008 0.000 2.383 221 S HA -0.086 4.383 4.470 -0.000 0.000 0.227 221 S C 2.138 176.746 174.600 0.013 0.000 1.026 221 S CA 1.231 59.437 58.200 0.010 0.000 0.981 221 S CB -0.096 63.111 63.200 0.011 0.000 0.818 221 S HN 0.521 nan 8.310 nan 0.000 0.472 222 K N 0.746 121.153 120.400 0.013 0.000 2.057 222 K HA -0.020 4.299 4.320 -0.000 0.000 0.207 222 K C 2.223 178.834 176.600 0.019 0.000 1.049 222 K CA 0.917 57.213 56.287 0.015 0.000 0.931 222 K CB -0.624 31.882 32.500 0.011 0.000 0.714 222 K HN 0.404 nan 8.250 nan 0.000 0.440 223 c N 1.480 120.090 118.600 0.016 0.000 2.422 223 c HA -0.119 4.451 4.570 -0.000 0.000 0.279 223 c C 1.678 175.785 174.090 0.028 0.000 1.305 223 c CA 1.113 57.453 56.329 0.018 0.000 1.757 223 c CB -0.877 41.640 42.510 0.011 0.000 1.962 223 c HN 0.558 nan 8.230 nan 0.000 0.499 224 D N 0.574 120.988 120.400 0.025 0.000 2.369 224 D HA -0.002 4.638 4.640 -0.000 0.000 0.211 224 D C 1.707 178.026 176.300 0.033 0.000 1.077 224 D CA 0.844 54.859 54.000 0.027 0.000 0.842 224 D CB -0.666 40.140 40.800 0.010 0.000 0.947 224 D HN 0.528 nan 8.370 nan 0.000 0.509 225 S N -0.146 115.580 115.700 0.042 0.000 2.370 225 S HA -0.336 4.134 4.470 -0.000 0.000 0.226 225 S C 1.955 176.595 174.600 0.066 0.000 1.033 225 S CA 1.061 59.285 58.200 0.041 0.000 1.011 225 S CB -0.869 62.352 63.200 0.036 0.000 0.852 225 S HN 0.443 nan 8.310 nan 0.000 0.457 226 H N 1.328 120.397 119.070 -0.002 0.000 2.299 226 H HA -0.001 4.554 4.556 -0.000 0.000 0.302 226 H C 2.445 177.790 175.328 0.029 0.000 1.078 226 H CA 1.753 57.803 56.048 0.005 0.000 1.323 226 H CB -0.893 28.866 29.762 -0.004 0.000 1.381 226 H HN 0.553 nan 8.280 nan 0.000 0.498 227 G N -0.278 108.578 108.800 0.093 0.000 2.459 227 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 227 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 227 G C 1.783 176.663 174.900 -0.034 0.000 1.183 227 G CA 1.505 46.623 45.100 0.031 0.000 0.776 227 G HN 0.407 nan 8.290 nan 0.000 0.552 228 T N 0.026 114.557 114.554 -0.038 0.000 2.665 228 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 228 T C 2.020 176.631 174.700 -0.149 0.000 1.035 228 T CA 1.463 63.502 62.100 -0.102 0.000 1.151 228 T CB -0.525 68.274 68.868 -0.114 0.000 0.862 228 T HN 0.426 nan 8.240 nan 0.000 0.438 229 H N 1.118 120.071 119.070 -0.195 0.000 2.319 229 H HA -0.024 4.532 4.556 0.001 0.000 0.299 229 H C 2.295 177.509 175.328 -0.189 0.000 1.092 229 H CA 1.465 57.394 56.048 -0.198 0.000 1.302 229 H CB -0.414 29.245 29.762 -0.172 0.000 1.373 229 H HN 0.300 nan 8.280 nan 0.000 0.497 230 L N 0.125 121.295 121.223 -0.087 0.000 2.083 230 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 230 L C 3.118 179.905 176.870 -0.139 0.000 1.083 230 L CA 0.946 55.717 54.840 -0.114 0.000 0.752 230 L CB -0.565 41.421 42.059 -0.121 0.000 0.899 230 L HN 0.279 nan 8.230 nan 0.000 0.433 231 A N 0.279 123.021 122.820 -0.130 0.000 1.933 231 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 231 A C 2.366 179.856 177.584 -0.157 0.000 1.175 231 A CA 1.770 53.734 52.037 -0.122 0.000 0.628 231 A CB -1.130 17.809 19.000 -0.102 0.000 0.814 231 A HN 0.453 nan 8.150 nan 0.000 0.444 232 G N -0.883 107.784 108.800 -0.221 0.000 2.448 232 G HA2 0.014 3.974 3.960 -0.000 0.000 0.218 232 G HA3 0.014 3.974 3.960 -0.000 0.000 0.218 232 G C 1.402 176.154 174.900 -0.245 0.000 1.135 232 G CA 1.071 46.030 45.100 -0.235 0.000 0.784 232 G HN 0.321 nan 8.290 nan 0.000 0.543 233 V N 0.567 120.302 119.914 -0.299 0.000 2.453 233 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 233 V C 2.925 178.843 176.094 -0.294 0.000 1.048 233 V CA 1.260 63.366 62.300 -0.322 0.000 1.049 233 V CB -0.235 31.410 31.823 -0.296 0.000 0.672 233 V HN 0.238 nan 8.190 nan 0.000 0.457 234 V N 0.921 120.709 119.914 -0.210 0.000 2.244 234 V HA -0.127 3.992 4.120 -0.000 0.000 0.244 234 V C 2.018 178.026 176.094 -0.144 0.000 1.042 234 V CA 2.284 64.486 62.300 -0.163 0.000 1.006 234 V CB -0.349 31.410 31.823 -0.108 0.000 0.641 234 V HN 0.733 nan 8.190 nan 0.000 0.446 235 S N -0.903 114.723 115.700 -0.124 0.000 2.900 235 S HA 0.334 4.804 4.470 -0.000 0.000 0.253 235 S C 0.927 175.480 174.600 -0.077 0.000 1.029 235 S CA 0.176 58.321 58.200 -0.092 0.000 1.096 235 S CB 0.162 63.318 63.200 -0.073 0.000 1.067 235 S HN 0.552 nan 8.310 nan 0.000 0.610 236 G N 1.674 110.420 108.800 -0.091 0.000 2.287 236 G HA2 0.135 4.095 3.960 -0.000 0.000 0.235 236 G HA3 0.135 4.095 3.960 -0.000 0.000 0.235 236 G C 0.642 175.532 174.900 -0.016 0.000 1.258 236 G CA -0.366 44.706 45.100 -0.046 0.000 0.884 236 G HN 0.421 nan 8.290 nan 0.000 0.518 237 R N 1.015 121.529 120.500 0.023 0.000 2.091 237 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 237 R C 1.114 177.426 176.300 0.021 0.000 1.136 237 R CA 2.042 58.156 56.100 0.024 0.000 0.959 237 R CB 0.098 30.424 30.300 0.044 0.000 0.856 237 R HN 0.642 nan 8.270 nan 0.000 0.437 238 D N -1.863 118.566 120.400 0.049 0.000 2.431 238 D HA 0.089 4.729 4.640 -0.000 0.000 0.227 238 D C 0.639 176.917 176.300 -0.036 0.000 1.030 238 D CA 0.880 54.884 54.000 0.007 0.000 0.897 238 D CB 0.627 41.431 40.800 0.005 0.000 1.058 238 D HN 0.262 nan 8.370 nan 0.000 0.500 239 A N 0.490 123.305 122.820 -0.008 0.000 2.538 239 A HA 0.540 4.860 4.320 -0.000 0.000 0.269 239 A C 1.030 178.543 177.584 -0.119 0.000 1.231 239 A CA -0.002 51.997 52.037 -0.063 0.000 0.948 239 A CB 0.334 19.322 19.000 -0.019 0.000 1.110 239 A HN 0.114 nan 8.150 nan 0.000 0.529 240 G N -1.059 107.673 108.800 -0.113 0.000 2.451 240 G HA2 0.439 4.399 3.960 -0.000 0.000 0.303 240 G HA3 0.439 4.399 3.960 -0.000 0.000 0.303 240 G C 0.833 175.624 174.900 -0.182 0.000 1.166 240 G CA 0.038 45.038 45.100 -0.167 0.000 0.884 240 G HN 0.041 nan 8.290 nan 0.000 0.514 241 V N 1.436 121.211 119.914 -0.231 0.000 2.239 241 V HA 0.020 4.139 4.120 -0.000 0.000 0.242 241 V C 2.273 178.275 176.094 -0.154 0.000 1.038 241 V CA 2.010 64.184 62.300 -0.211 0.000 1.002 241 V CB -0.697 30.983 31.823 -0.237 0.000 0.641 241 V HN 0.797 nan 8.190 nan 0.000 0.449 242 A N 0.551 123.291 122.820 -0.132 0.000 3.078 242 A HA 0.272 4.592 4.320 -0.000 0.000 0.279 242 A C 0.337 177.878 177.584 -0.072 0.000 1.594 242 A CA -0.327 51.653 52.037 -0.095 0.000 1.301 242 A CB -0.837 18.117 19.000 -0.077 0.000 1.162 242 A HN 0.481 nan 8.150 nan 0.000 0.585 243 K N 0.693 121.053 120.400 -0.066 0.000 2.440 243 K HA 0.190 4.510 4.320 -0.000 0.000 0.275 243 K C 1.221 177.803 176.600 -0.029 0.000 1.082 243 K CA 1.159 57.419 56.287 -0.046 0.000 1.135 243 K CB 0.034 32.514 32.500 -0.033 0.000 0.864 243 K HN 1.142 nan 8.250 nan 0.000 0.479 244 G N 1.624 110.407 108.800 -0.029 0.000 2.136 244 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.242 244 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.242 244 G C 0.198 175.084 174.900 -0.024 0.000 0.989 244 G CA -0.016 45.071 45.100 -0.021 0.000 0.682 244 G HN 0.834 nan 8.290 nan 0.000 0.522 245 A N 0.119 122.920 122.820 -0.033 0.000 2.407 245 A HA 0.702 5.022 4.320 -0.000 0.000 0.248 245 A C 0.982 178.542 177.584 -0.041 0.000 1.082 245 A CA 0.784 52.802 52.037 -0.032 0.000 0.785 245 A CB 0.433 19.411 19.000 -0.037 0.000 1.020 245 A HN 1.156 nan 8.150 nan 0.000 0.489 246 S N 1.680 117.356 115.700 -0.041 0.000 2.549 246 S HA 0.421 4.891 4.470 -0.000 0.000 0.283 246 S C -0.011 174.537 174.600 -0.087 0.000 1.320 246 S CA 0.290 58.455 58.200 -0.058 0.000 1.058 246 S CB 0.081 63.250 63.200 -0.052 0.000 0.882 246 S HN 0.612 nan 8.310 nan 0.000 0.498 247 M N 2.701 122.236 119.600 -0.108 0.000 2.572 247 M HA 0.470 4.950 4.480 -0.000 0.000 0.299 247 M C -0.575 175.604 176.300 -0.202 0.000 1.205 247 M CA -0.487 54.725 55.300 -0.147 0.000 0.876 247 M CB 2.498 35.037 32.600 -0.102 0.000 1.728 247 M HN 0.447 nan 8.290 nan 0.000 0.458 248 R N 0.775 121.082 120.500 -0.322 0.000 2.476 248 R HA 0.443 4.782 4.340 -0.000 0.000 0.305 248 R C -1.050 175.162 176.300 -0.147 0.000 0.965 248 R CA -0.415 55.489 56.100 -0.325 0.000 0.867 248 R CB 2.272 32.159 30.300 -0.688 0.000 1.176 248 R HN 0.614 nan 8.270 nan 0.000 0.447 249 S N 3.830 119.498 115.700 -0.053 0.000 2.422 249 S HA 0.426 4.896 4.470 -0.000 0.000 0.308 249 S C -0.919 173.707 174.600 0.043 0.000 1.097 249 S CA -0.648 57.558 58.200 0.010 0.000 1.099 249 S CB 0.337 63.528 63.200 -0.014 0.000 0.976 249 S HN 0.284 nan 8.310 nan 0.000 0.471 250 L N 5.551 126.853 121.223 0.132 0.000 2.316 250 L HA 0.502 4.841 4.340 -0.000 0.000 0.280 250 L C 0.441 177.415 176.870 0.174 0.000 1.006 250 L CA -0.105 54.843 54.840 0.180 0.000 0.836 250 L CB 1.300 43.581 42.059 0.369 0.000 1.221 250 L HN 0.645 nan 8.230 nan 0.000 0.418 251 R N 2.817 123.388 120.500 0.119 0.000 2.296 251 R HA 0.347 4.686 4.340 -0.000 0.000 0.323 251 R C 0.405 176.798 176.300 0.155 0.000 1.067 251 R CA 0.054 56.217 56.100 0.105 0.000 0.946 251 R CB 0.653 30.982 30.300 0.047 0.000 0.991 251 R HN 0.559 nan 8.270 nan 0.000 0.448 252 V N 2.626 122.605 119.914 0.109 0.000 3.432 252 V HA 0.320 4.440 4.120 -0.000 0.000 0.298 252 V C -0.082 176.038 176.094 0.045 0.000 1.464 252 V CA -0.287 62.057 62.300 0.074 0.000 1.046 252 V CB 0.084 31.932 31.823 0.042 0.000 0.887 252 V HN 0.476 nan 8.190 nan 0.000 0.441 253 L N 2.976 124.226 121.223 0.045 0.000 2.346 253 L HA 0.584 4.924 4.340 -0.000 0.000 0.276 253 L C 0.232 177.115 176.870 0.021 0.000 1.006 253 L CA -0.644 54.210 54.840 0.024 0.000 0.817 253 L CB 1.947 44.014 42.059 0.014 0.000 1.272 253 L HN 0.389 nan 8.230 nan 0.000 0.421 254 N N 0.348 119.054 118.700 0.010 0.000 2.332 254 N HA 0.039 4.779 4.740 -0.000 0.000 0.282 254 N C 0.786 176.298 175.510 0.004 0.000 1.288 254 N CA -0.438 52.618 53.050 0.009 0.000 0.949 254 N CB -0.000 38.491 38.487 0.007 0.000 1.108 254 N HN 0.581 nan 8.380 nan 0.000 0.542 255 c N -1.077 117.525 118.600 0.004 0.000 2.432 255 c HA 0.003 4.572 4.570 -0.000 0.000 0.282 255 c C 1.858 175.946 174.090 -0.003 0.000 1.388 255 c CA 0.470 56.801 56.329 0.004 0.000 1.777 255 c CB -1.153 41.359 42.510 0.004 0.000 1.882 255 c HN 0.641 nan 8.230 nan 0.000 0.520 256 Q N 0.141 119.936 119.800 -0.010 0.000 2.280 256 Q HA 0.237 4.577 4.340 -0.000 0.000 0.201 256 Q C 1.241 177.215 176.000 -0.042 0.000 0.890 256 Q CA 0.861 56.653 55.803 -0.019 0.000 0.947 256 Q CB -0.327 28.404 28.738 -0.011 0.000 1.081 256 Q HN 0.607 nan 8.270 nan 0.000 0.502 257 G N 1.885 110.655 108.800 -0.050 0.000 2.176 257 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.252 257 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.252 257 G C -0.205 174.657 174.900 -0.063 0.000 1.024 257 G CA 0.596 45.639 45.100 -0.095 0.000 0.755 257 G HN 0.347 nan 8.290 nan 0.000 0.507 258 K N 0.045 120.429 120.400 -0.027 0.000 2.244 258 K HA 0.681 5.001 4.320 -0.000 0.000 0.260 258 K C 0.724 177.323 176.600 -0.002 0.000 0.951 258 K CA -0.014 56.267 56.287 -0.010 0.000 0.826 258 K CB 1.096 33.594 32.500 -0.003 0.000 1.108 258 K HN 0.408 nan 8.250 nan 0.000 0.433 259 G N 0.664 109.465 108.800 0.002 0.000 3.135 259 G HA2 0.550 4.510 3.960 -0.000 0.000 0.278 259 G HA3 0.550 4.510 3.960 -0.000 0.000 0.278 259 G C -1.027 173.873 174.900 0.000 0.000 1.302 259 G CA -0.601 44.501 45.100 0.004 0.000 0.880 259 G HN 0.628 nan 8.290 nan 0.000 0.574 260 T N -3.370 111.180 114.554 -0.007 0.000 2.901 260 T HA 0.505 4.855 4.350 -0.000 0.000 0.293 260 T C 0.898 175.584 174.700 -0.023 0.000 1.084 260 T CA -0.231 61.861 62.100 -0.014 0.000 1.008 260 T CB 1.526 70.384 68.868 -0.017 0.000 1.170 260 T HN 0.365 nan 8.240 nan 0.000 0.509 261 V N 1.615 121.511 119.914 -0.029 0.000 2.295 261 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 261 V C 3.133 179.197 176.094 -0.050 0.000 1.049 261 V CA 2.720 64.995 62.300 -0.041 0.000 1.024 261 V CB -1.118 30.674 31.823 -0.052 0.000 0.648 261 V HN 1.106 nan 8.190 nan 0.000 0.447 262 S N 0.860 116.532 115.700 -0.048 0.000 2.383 262 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 262 S C 2.090 176.648 174.600 -0.071 0.000 1.030 262 S CA 1.610 59.777 58.200 -0.055 0.000 1.002 262 S CB -1.066 62.108 63.200 -0.044 0.000 0.829 262 S HN 0.564 nan 8.310 nan 0.000 0.467 263 G N 1.278 110.041 108.800 -0.061 0.000 2.408 263 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.217 263 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.217 263 G C 1.482 176.319 174.900 -0.103 0.000 1.150 263 G CA 1.334 46.388 45.100 -0.077 0.000 0.776 263 G HN 0.576 nan 8.290 nan 0.000 0.542 264 T N 1.477 115.988 114.554 -0.071 0.000 2.821 264 T HA 0.007 4.357 4.350 -0.000 0.000 0.267 264 T C 2.418 177.063 174.700 -0.092 0.000 1.046 264 T CA 0.698 62.759 62.100 -0.065 0.000 1.139 264 T CB -0.159 68.689 68.868 -0.035 0.000 0.871 264 T HN 0.156 nan 8.240 nan 0.000 0.454 265 L N 0.333 121.500 121.223 -0.093 0.000 2.083 265 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 265 L C 2.420 179.210 176.870 -0.133 0.000 1.083 265 L CA 1.160 55.944 54.840 -0.095 0.000 0.752 265 L CB -0.632 41.380 42.059 -0.079 0.000 0.899 265 L HN 0.259 nan 8.230 nan 0.000 0.433 266 I N -0.194 120.262 120.570 -0.191 0.000 2.286 266 I HA -0.206 3.963 4.170 -0.000 0.000 0.248 266 I C 2.610 178.451 176.117 -0.461 0.000 1.115 266 I CA 1.364 62.482 61.300 -0.303 0.000 1.392 266 I CB -0.791 36.996 38.000 -0.355 0.000 1.065 266 I HN 0.272 nan 8.210 nan 0.000 0.418 267 G N 1.178 109.716 108.800 -0.437 0.000 2.433 267 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 267 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 267 G C 1.674 176.529 174.900 -0.074 0.000 1.186 267 G CA 0.498 45.418 45.100 -0.301 0.000 0.779 267 G HN 0.256 nan 8.290 nan 0.000 0.543 268 L N 0.297 121.472 121.223 -0.080 0.000 2.043 268 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 268 L C 2.785 179.621 176.870 -0.058 0.000 1.075 268 L CA 1.705 56.506 54.840 -0.066 0.000 0.752 268 L CB -0.460 41.560 42.059 -0.064 0.000 0.891 268 L HN 0.356 nan 8.230 nan 0.000 0.432 269 E N 0.110 120.278 120.200 -0.053 0.000 2.085 269 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 269 E C 2.172 178.780 176.600 0.013 0.000 0.994 269 E CA 1.502 57.882 56.400 -0.032 0.000 0.801 269 E CB -0.115 29.562 29.700 -0.037 0.000 0.743 269 E HN 0.424 nan 8.360 nan 0.000 0.453 270 F N 1.085 120.987 119.950 -0.079 0.000 2.186 270 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 270 F C 1.995 177.783 175.800 -0.021 0.000 1.090 270 F CA 1.139 59.154 58.000 0.025 0.000 1.307 270 F CB -0.052 39.070 39.000 0.204 0.000 1.019 270 F HN -0.011 nan 8.300 nan 0.000 0.489 271 I N -0.074 120.485 120.570 -0.018 0.000 2.127 271 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 271 I C 2.564 178.534 176.117 -0.246 0.000 1.075 271 I CA 1.488 62.610 61.300 -0.297 0.000 1.334 271 I CB -0.487 37.257 38.000 -0.427 0.000 1.040 271 I HN 0.038 nan 8.210 nan 0.000 0.405 272 R N 1.684 122.085 120.500 -0.164 0.000 2.103 272 R HA -0.243 4.097 4.340 -0.000 0.000 0.242 272 R C 2.144 178.360 176.300 -0.139 0.000 1.142 272 R CA 1.985 58.009 56.100 -0.127 0.000 0.960 272 R CB -0.497 29.750 30.300 -0.087 0.000 0.858 272 R HN 0.283 nan 8.270 nan 0.000 0.439 273 K N -0.559 119.733 120.400 -0.179 0.000 2.026 273 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 273 K C 1.998 178.456 176.600 -0.236 0.000 1.048 273 K CA 1.920 58.085 56.287 -0.203 0.000 0.929 273 K CB -0.265 32.092 32.500 -0.239 0.000 0.713 273 K HN 0.151 nan 8.250 nan 0.000 0.439 274 S N 0.835 116.328 115.700 -0.345 0.000 2.387 274 S HA -0.253 4.217 4.470 -0.000 0.000 0.230 274 S C 1.928 176.468 174.600 -0.100 0.000 1.035 274 S CA 1.675 59.735 58.200 -0.234 0.000 1.014 274 S CB -0.312 62.790 63.200 -0.164 0.000 0.836 274 S HN 0.457 nan 8.310 nan 0.000 0.466 275 Q N 0.404 120.145 119.800 -0.097 0.000 2.119 275 Q HA -0.037 4.303 4.340 -0.000 0.000 0.201 275 Q C 2.022 177.995 176.000 -0.045 0.000 0.972 275 Q CA 1.048 56.820 55.803 -0.051 0.000 0.847 275 Q CB -0.126 28.574 28.738 -0.062 0.000 0.903 275 Q HN 0.505 nan 8.270 nan 0.000 0.433 276 L N -0.446 120.739 121.223 -0.062 0.000 2.109 276 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 276 L C 2.123 178.968 176.870 -0.042 0.000 1.086 276 L CA 0.539 55.351 54.840 -0.048 0.000 0.760 276 L CB -0.007 42.020 42.059 -0.052 0.000 0.910 276 L HN 0.116 nan 8.230 nan 0.000 0.437 277 V N -2.306 117.575 119.914 -0.055 0.000 2.992 277 V HA 0.031 4.151 4.120 -0.000 0.000 0.250 277 V C 0.854 176.932 176.094 -0.028 0.000 1.090 277 V CA 0.676 62.950 62.300 -0.043 0.000 1.101 277 V CB -0.010 31.779 31.823 -0.057 0.000 0.743 277 V HN 0.363 nan 8.190 nan 0.000 0.468 278 Q N 0.877 120.662 119.800 -0.025 0.000 3.230 278 Q HA 0.271 4.611 4.340 -0.000 0.000 0.303 278 Q C -2.736 173.269 176.000 0.008 0.000 0.884 278 Q CA -1.165 54.635 55.803 -0.004 0.000 0.859 278 Q CB 1.890 30.631 28.738 0.005 0.000 1.432 278 Q HN 0.387 nan 8.270 nan 0.000 0.403 279 P HA 0.073 nan 4.420 nan 0.000 0.280 279 P C 0.828 178.137 177.300 0.015 0.000 1.386 279 P CA -0.059 63.048 63.100 0.011 0.000 0.899 279 P CB 0.782 32.483 31.700 0.002 0.000 1.098 280 V N 1.011 120.939 119.914 0.024 0.000 3.565 280 V HA 0.607 4.727 4.120 -0.000 0.000 0.260 280 V C 0.774 176.881 176.094 0.022 0.000 1.231 280 V CA 0.810 63.122 62.300 0.021 0.000 1.100 280 V CB -0.343 31.493 31.823 0.021 0.000 0.807 280 V HN 0.602 nan 8.190 nan 0.000 0.454 281 G N -0.273 108.544 108.800 0.028 0.000 2.336 281 G HA2 0.397 4.357 3.960 -0.000 0.000 0.286 281 G HA3 0.397 4.357 3.960 -0.000 0.000 0.286 281 G C -3.354 171.567 174.900 0.035 0.000 1.269 281 G CA -0.439 44.677 45.100 0.027 0.000 0.873 281 G HN 0.123 nan 8.290 nan 0.000 0.494 282 P HA 0.457 nan 4.420 nan 0.000 0.266 282 P C -0.766 176.569 177.300 0.058 0.000 1.193 282 P CA -0.009 63.113 63.100 0.037 0.000 0.770 282 P CB 0.716 32.435 31.700 0.031 0.000 0.836 283 L N 3.359 124.621 121.223 0.065 0.000 2.376 283 L HA 0.393 4.733 4.340 -0.000 0.000 0.275 283 L C -1.045 175.884 176.870 0.097 0.000 0.987 283 L CA -0.484 54.422 54.840 0.110 0.000 0.828 283 L CB 2.061 44.184 42.059 0.107 0.000 1.249 283 L HN 0.041 nan 8.230 nan 0.000 0.409 284 V N 5.311 125.302 119.914 0.128 0.000 2.384 284 V HA 0.496 4.616 4.120 -0.000 0.000 0.287 284 V C -0.434 175.752 176.094 0.154 0.000 1.020 284 V CA -0.727 61.633 62.300 0.101 0.000 0.850 284 V CB 1.900 33.763 31.823 0.066 0.000 0.987 284 V HN 0.411 nan 8.190 nan 0.000 0.436 285 V N 6.310 126.290 119.914 0.110 0.000 2.370 285 V HA 0.423 4.543 4.120 -0.000 0.000 0.279 285 V C -0.284 175.863 176.094 0.088 0.000 1.029 285 V CA -0.580 61.794 62.300 0.122 0.000 0.870 285 V CB 1.584 33.436 31.823 0.049 0.000 0.984 285 V HN 0.645 nan 8.190 nan 0.000 0.451 286 L N 6.971 128.255 121.223 0.102 0.000 2.265 286 L HA 0.556 4.895 4.340 -0.000 0.000 0.289 286 L C -0.538 176.376 176.870 0.072 0.000 1.033 286 L CA 0.145 55.026 54.840 0.070 0.000 0.814 286 L CB 0.986 43.078 42.059 0.055 0.000 1.203 286 L HN 0.582 nan 8.230 nan 0.000 0.423 287 L N 8.449 129.707 121.223 0.057 0.000 2.435 287 L HA 0.430 4.770 4.340 -0.000 0.000 0.253 287 L C -1.875 175.031 176.870 0.060 0.000 1.087 287 L CA -1.115 53.760 54.840 0.057 0.000 0.950 287 L CB 1.079 43.163 42.059 0.042 0.000 1.304 287 L HN 0.519 nan 8.230 nan 0.000 0.453 288 P HA 0.171 nan 4.420 nan 0.000 0.220 288 P C -1.009 176.357 177.300 0.110 0.000 1.793 288 P CA -0.125 63.035 63.100 0.100 0.000 0.917 288 P CB -0.064 31.715 31.700 0.132 0.000 1.755 289 L N -2.926 118.341 121.223 0.073 0.000 2.409 289 L HA 1.035 5.375 4.340 -0.000 0.000 0.255 289 L C -1.017 175.895 176.870 0.070 0.000 1.027 289 L CA -1.419 53.457 54.840 0.060 0.000 0.834 289 L CB 1.392 43.481 42.059 0.051 0.000 1.426 289 L HN -0.107 nan 8.230 nan 0.000 0.411 290 A N -0.752 122.126 122.820 0.097 0.000 2.594 290 A HA 1.013 5.333 4.320 -0.000 0.000 0.295 290 A C -0.533 177.149 177.584 0.163 0.000 1.071 290 A CA 0.086 52.209 52.037 0.145 0.000 0.685 290 A CB 1.481 20.592 19.000 0.186 0.000 1.285 290 A HN 1.437 nan 8.150 nan 0.000 0.405 291 G N -0.693 108.207 108.800 0.166 0.000 2.749 291 G HA2 0.699 4.659 3.960 -0.000 0.000 0.300 291 G HA3 0.699 4.659 3.960 -0.000 0.000 0.300 291 G C 0.149 175.131 174.900 0.138 0.000 1.352 291 G CA 0.060 45.233 45.100 0.122 0.000 0.789 291 G HN 1.490 nan 8.290 nan 0.000 0.509 292 G N -1.544 107.262 108.800 0.010 0.000 2.664 292 G HA2 0.388 4.348 3.960 -0.000 0.000 0.242 292 G HA3 0.388 4.348 3.960 -0.000 0.000 0.242 292 G C -0.198 174.684 174.900 -0.030 0.000 1.225 292 G CA -0.196 44.852 45.100 -0.086 0.000 0.849 292 G HN 0.848 nan 8.290 nan 0.000 0.581 293 Y N 0.856 121.067 120.300 -0.148 0.000 2.805 293 Y HA 0.273 4.822 4.550 -0.001 0.000 0.331 293 Y C 0.614 176.482 175.900 -0.053 0.000 1.241 293 Y CA 0.578 58.629 58.100 -0.082 0.000 1.546 293 Y CB 0.455 38.857 38.460 -0.096 0.000 1.248 293 Y HN 0.414 nan 8.280 nan 0.000 0.559 294 S N 6.938 122.194 115.700 -0.740 0.000 2.659 294 S HA 0.316 4.786 4.470 -0.000 0.000 0.312 294 S C 0.807 174.975 174.600 -0.721 0.000 1.114 294 S CA -0.858 57.001 58.200 -0.569 0.000 1.063 294 S CB 1.038 64.079 63.200 -0.264 0.000 0.996 294 S HN 0.993 nan 8.310 nan 0.000 0.478 295 R N 3.541 123.703 120.500 -0.563 0.000 2.083 295 R HA -0.061 4.279 4.340 -0.000 0.000 0.237 295 R C 1.857 178.043 176.300 -0.190 0.000 1.137 295 R CA 2.127 58.036 56.100 -0.319 0.000 0.951 295 R CB -0.616 29.627 30.300 -0.096 0.000 0.851 295 R HN 0.604 nan 8.270 nan 0.000 0.434 296 V N 0.844 120.667 119.914 -0.153 0.000 2.427 296 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 296 V C 2.112 178.145 176.094 -0.101 0.000 1.051 296 V CA 1.597 63.837 62.300 -0.100 0.000 1.048 296 V CB -0.223 31.553 31.823 -0.078 0.000 0.666 296 V HN 0.391 nan 8.190 nan 0.000 0.456 297 L N 0.785 121.931 121.223 -0.128 0.000 2.056 297 L HA -0.135 4.204 4.340 -0.000 0.000 0.207 297 L C 2.163 178.980 176.870 -0.089 0.000 1.078 297 L CA 2.247 57.026 54.840 -0.102 0.000 0.749 297 L CB -1.111 40.887 42.059 -0.103 0.000 0.901 297 L HN 0.417 nan 8.230 nan 0.000 0.433 298 N N -0.799 117.829 118.700 -0.121 0.000 2.188 298 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 298 N C 1.776 177.264 175.510 -0.038 0.000 1.018 298 N CA 1.009 54.018 53.050 -0.068 0.000 0.858 298 N CB -0.100 38.346 38.487 -0.069 0.000 0.989 298 N HN 0.477 nan 8.380 nan 0.000 0.426 299 A N 1.454 124.245 122.820 -0.048 0.000 1.902 299 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 299 A C 2.365 179.931 177.584 -0.030 0.000 1.181 299 A CA 1.674 53.694 52.037 -0.029 0.000 0.623 299 A CB -0.714 18.267 19.000 -0.031 0.000 0.818 299 A HN 0.345 nan 8.150 nan 0.000 0.443 300 A N -0.960 121.835 122.820 -0.041 0.000 1.902 300 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 300 A C 2.301 179.865 177.584 -0.034 0.000 1.181 300 A CA 1.724 53.737 52.037 -0.040 0.000 0.623 300 A CB -1.266 17.705 19.000 -0.049 0.000 0.818 300 A HN 0.611 nan 8.150 nan 0.000 0.443 301 C N -1.133 118.150 119.300 -0.029 0.000 2.446 301 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 301 C C 2.820 177.802 174.990 -0.013 0.000 1.275 301 C CA 1.180 60.187 59.018 -0.019 0.000 1.727 301 C CB -1.254 26.480 27.740 -0.011 0.000 2.010 301 C HN 0.771 nan 8.230 nan 0.000 0.486 302 Q N 0.573 120.367 119.800 -0.009 0.000 2.050 302 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 302 Q C 2.513 178.508 176.000 -0.010 0.000 0.980 302 Q CA 1.436 57.236 55.803 -0.004 0.000 0.840 302 Q CB -0.126 28.613 28.738 0.002 0.000 0.898 302 Q HN 0.550 nan 8.270 nan 0.000 0.424 303 R N 0.115 120.606 120.500 -0.016 0.000 2.081 303 R HA -0.142 4.197 4.340 -0.000 0.000 0.235 303 R C 2.314 178.600 176.300 -0.024 0.000 1.131 303 R CA 0.812 56.901 56.100 -0.019 0.000 0.960 303 R CB -0.768 29.518 30.300 -0.024 0.000 0.856 303 R HN 0.288 nan 8.270 nan 0.000 0.436 304 L N 0.716 121.921 121.223 -0.029 0.000 2.046 304 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 304 L C 2.347 179.201 176.870 -0.026 0.000 1.077 304 L CA 1.847 56.666 54.840 -0.036 0.000 0.747 304 L CB -0.868 41.165 42.059 -0.044 0.000 0.896 304 L HN 0.137 nan 8.230 nan 0.000 0.432 305 A N -1.093 121.716 122.820 -0.017 0.000 1.969 305 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 305 A C 2.246 179.824 177.584 -0.010 0.000 1.169 305 A CA 1.070 53.101 52.037 -0.011 0.000 0.635 305 A CB -0.399 18.599 19.000 -0.004 0.000 0.810 305 A HN 0.312 nan 8.150 nan 0.000 0.445 306 R N -0.063 120.430 120.500 -0.011 0.000 2.120 306 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 306 R C 2.052 178.344 176.300 -0.012 0.000 1.123 306 R CA 1.316 57.410 56.100 -0.010 0.000 0.975 306 R CB -1.318 28.977 30.300 -0.009 0.000 0.866 306 R HN 0.506 nan 8.270 nan 0.000 0.446 307 A N -0.189 122.620 122.820 -0.017 0.000 2.235 307 A HA 0.261 4.581 4.320 -0.000 0.000 0.208 307 A C 1.244 178.818 177.584 -0.017 0.000 1.172 307 A CA 0.938 52.963 52.037 -0.020 0.000 0.786 307 A CB -0.217 18.766 19.000 -0.029 0.000 0.804 307 A HN 0.422 nan 8.150 nan 0.000 0.479 308 G N -1.697 107.094 108.800 -0.014 0.000 2.131 308 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.223 308 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.223 308 G C 0.041 174.937 174.900 -0.007 0.000 0.990 308 G CA 0.035 45.129 45.100 -0.010 0.000 0.671 308 G HN 0.745 nan 8.290 nan 0.000 0.521 309 V N 0.681 120.588 119.914 -0.010 0.000 2.509 309 V HA 0.529 4.649 4.120 -0.000 0.000 0.284 309 V C 0.917 177.012 176.094 0.001 0.000 1.047 309 V CA -0.708 61.588 62.300 -0.006 0.000 0.952 309 V CB 1.888 33.697 31.823 -0.024 0.000 0.988 309 V HN 0.228 nan 8.190 nan 0.000 0.469 310 V N 6.522 126.443 119.914 0.012 0.000 2.385 310 V HA 0.337 4.457 4.120 -0.000 0.000 0.269 310 V C -0.163 175.943 176.094 0.020 0.000 1.043 310 V CA -0.283 62.025 62.300 0.014 0.000 0.906 310 V CB 1.012 32.845 31.823 0.018 0.000 0.995 310 V HN 0.555 nan 8.190 nan 0.000 0.467 311 L N 6.179 127.411 121.223 0.014 0.000 2.307 311 L HA 0.638 4.978 4.340 -0.000 0.000 0.284 311 L C -0.314 176.567 176.870 0.018 0.000 1.023 311 L CA -0.107 54.744 54.840 0.017 0.000 0.810 311 L CB 1.990 44.054 42.059 0.009 0.000 1.231 311 L HN 0.385 nan 8.230 nan 0.000 0.423 312 V N 1.762 121.690 119.914 0.024 0.000 2.531 312 V HA 0.663 4.783 4.120 -0.000 0.000 0.301 312 V C -0.123 175.983 176.094 0.021 0.000 1.034 312 V CA -0.465 61.846 62.300 0.019 0.000 0.865 312 V CB 1.836 33.672 31.823 0.021 0.000 0.995 312 V HN 0.781 nan 8.190 nan 0.000 0.424 313 T N 3.034 117.595 114.554 0.012 0.000 2.916 313 T HA 0.763 5.112 4.350 -0.000 0.000 0.292 313 T C -0.107 174.594 174.700 0.002 0.000 1.055 313 T CA 0.032 62.142 62.100 0.016 0.000 1.009 313 T CB 1.704 70.585 68.868 0.021 0.000 1.118 313 T HN 1.058 nan 8.240 nan 0.000 0.497 314 A N 1.752 124.578 122.820 0.010 0.000 2.462 314 A HA 0.604 4.923 4.320 -0.000 0.000 0.243 314 A C 1.571 179.137 177.584 -0.031 0.000 1.076 314 A CA 0.290 52.321 52.037 -0.010 0.000 0.773 314 A CB -0.169 18.834 19.000 0.006 0.000 1.010 314 A HN 1.175 nan 8.150 nan 0.000 0.493 315 A N 2.015 124.792 122.820 -0.072 0.000 2.015 315 A HA 0.445 4.764 4.320 -0.000 0.000 0.219 315 A C 1.477 178.995 177.584 -0.110 0.000 1.163 315 A CA 1.578 53.559 52.037 -0.094 0.000 0.646 315 A CB -0.880 18.030 19.000 -0.150 0.000 0.806 315 A HN 2.848 nan 8.150 nan 0.000 0.448 316 G N -1.552 107.173 108.800 -0.126 0.000 2.617 316 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.686 316 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.686 316 G C -0.728 173.973 174.900 -0.331 0.000 1.214 316 G CA -0.249 44.728 45.100 -0.204 0.000 0.796 316 G HN 0.217 nan 8.290 nan 0.000 0.654 317 N N 0.202 118.459 118.700 -0.739 0.000 2.453 317 N HA 0.339 5.079 4.740 -0.000 0.000 0.270 317 N C 0.266 175.348 175.510 -0.713 0.000 1.195 317 N CA -0.118 52.554 53.050 -0.629 0.000 0.902 317 N CB -0.056 38.108 38.487 -0.537 0.000 1.186 317 N HN 0.398 nan 8.380 nan 0.000 0.510 318 F N -0.264 119.607 119.950 -0.130 0.000 2.654 318 F HA 0.331 4.853 4.527 -0.007 0.000 0.303 318 F C 1.142 176.935 175.800 -0.012 0.000 1.099 318 F CA -0.605 57.349 58.000 -0.077 0.000 1.270 318 F CB 0.244 39.163 39.000 -0.135 0.000 1.024 318 F HN -0.071 nan 8.300 nan 0.000 0.548 319 R N 1.812 122.393 120.500 0.136 0.000 3.301 319 R HA -0.249 4.090 4.340 -0.000 0.000 0.249 319 R C -0.982 175.349 176.300 0.052 0.000 0.964 319 R CA 0.668 56.902 56.100 0.224 0.000 0.653 319 R CB -1.370 29.089 30.300 0.264 0.000 1.043 319 R HN 0.399 nan 8.270 nan 0.000 0.454 320 D N -1.122 119.075 120.400 -0.339 0.000 2.636 320 D HA 0.191 4.830 4.640 -0.000 0.000 0.275 320 D C -1.350 174.507 176.300 -0.739 0.000 1.130 320 D CA -0.659 53.170 54.000 -0.285 0.000 1.031 320 D CB 1.264 42.164 40.800 0.167 0.000 1.451 320 D HN 0.143 nan 8.370 nan 0.000 0.505 321 D N 0.176 120.464 120.400 -0.188 0.000 2.358 321 D HA 0.273 4.912 4.640 -0.000 0.000 0.258 321 D C 0.677 177.039 176.300 0.103 0.000 1.223 321 D CA -0.063 53.911 54.000 -0.044 0.000 0.886 321 D CB 1.276 42.155 40.800 0.132 0.000 1.120 321 D HN 0.393 nan 8.370 nan 0.000 0.482 322 A N 3.532 126.381 122.820 0.048 0.000 2.076 322 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 322 A C 2.321 180.043 177.584 0.231 0.000 1.160 322 A CA 0.914 53.055 52.037 0.173 0.000 0.653 322 A CB -0.580 18.436 19.000 0.028 0.000 0.801 322 A HN 0.786 nan 8.150 nan 0.000 0.455 323 c N -0.798 117.879 118.600 0.128 0.000 2.430 323 c HA 0.021 4.591 4.570 -0.000 0.000 0.288 323 c C 1.948 176.058 174.090 0.033 0.000 1.448 323 c CA 0.628 57.007 56.329 0.082 0.000 1.784 323 c CB -1.612 40.925 42.510 0.046 0.000 1.776 323 c HN 0.597 nan 8.230 nan 0.000 0.547 324 L N -1.570 119.639 121.223 -0.023 0.000 2.628 324 L HA 0.221 4.561 4.340 -0.000 0.000 0.229 324 L C -0.330 176.258 176.870 -0.470 0.000 1.137 324 L CA 0.269 54.942 54.840 -0.278 0.000 0.909 324 L CB -0.295 41.502 42.059 -0.436 0.000 1.137 324 L HN 0.343 nan 8.230 nan 0.000 0.470 325 Y N -1.653 118.688 120.300 0.069 0.000 2.545 325 Y HA 0.496 5.044 4.550 -0.004 0.000 0.348 325 Y C 0.171 176.115 175.900 0.073 0.000 1.002 325 Y CA -0.818 57.312 58.100 0.050 0.000 1.039 325 Y CB 2.049 40.529 38.460 0.033 0.000 1.271 325 Y HN -0.262 nan 8.280 nan 0.000 0.467 326 S N 2.450 118.261 115.700 0.185 0.000 2.513 326 S HA 0.365 4.835 4.470 -0.000 0.000 0.299 326 S C -2.396 172.253 174.600 0.082 0.000 1.087 326 S CA -1.384 56.867 58.200 0.084 0.000 1.012 326 S CB 1.834 65.008 63.200 -0.044 0.000 1.044 326 S HN 0.444 nan 8.310 nan 0.000 0.485 327 P HA 0.222 nan 4.420 nan 0.000 0.255 327 P C 0.847 178.185 177.300 0.063 0.000 1.301 327 P CA -0.016 63.108 63.100 0.040 0.000 0.817 327 P CB -0.213 31.500 31.700 0.020 0.000 1.259 328 A N 1.363 124.238 122.820 0.092 0.000 1.948 328 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 328 A C 2.250 179.889 177.584 0.091 0.000 1.177 328 A CA 2.416 54.503 52.037 0.083 0.000 0.636 328 A CB -1.433 17.630 19.000 0.104 0.000 0.815 328 A HN 0.401 nan 8.150 nan 0.000 0.449 329 S N -0.570 115.210 115.700 0.133 0.000 2.562 329 S HA 0.459 4.929 4.470 -0.000 0.000 0.221 329 S C 0.931 175.605 174.600 0.123 0.000 0.975 329 S CA 0.309 58.595 58.200 0.144 0.000 0.918 329 S CB -0.550 62.786 63.200 0.226 0.000 0.772 329 S HN 0.931 nan 8.310 nan 0.000 0.531 330 A N 3.213 126.089 122.820 0.094 0.000 2.484 330 A HA 0.476 4.796 4.320 -0.000 0.000 0.268 330 A C -1.161 176.456 177.584 0.055 0.000 1.114 330 A CA -1.378 50.701 52.037 0.070 0.000 0.780 330 A CB 0.050 19.075 19.000 0.040 0.000 1.061 330 A HN 0.247 nan 8.150 nan 0.000 0.505 331 P HA -0.113 nan 4.420 nan 0.000 0.221 331 P C 0.562 177.883 177.300 0.035 0.000 1.145 331 P CA 1.238 64.367 63.100 0.048 0.000 0.795 331 P CB 0.281 32.012 31.700 0.052 0.000 0.775 332 E N -1.025 119.193 120.200 0.029 0.000 2.489 332 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 332 E C 0.707 177.315 176.600 0.014 0.000 1.057 332 E CA -0.010 56.401 56.400 0.019 0.000 0.866 332 E CB -0.256 29.453 29.700 0.014 0.000 0.916 332 E HN 0.191 nan 8.360 nan 0.000 0.500 333 V N -1.262 118.662 119.914 0.017 0.000 2.834 333 V HA 0.434 4.554 4.120 -0.000 0.000 0.313 333 V C 0.153 176.252 176.094 0.009 0.000 1.060 333 V CA -1.074 61.233 62.300 0.013 0.000 0.989 333 V CB 1.429 33.261 31.823 0.015 0.000 1.041 333 V HN -0.047 nan 8.190 nan 0.000 0.459 334 I N 2.808 123.381 120.570 0.005 0.000 2.291 334 I HA 0.289 4.459 4.170 -0.000 0.000 0.292 334 I C 0.338 176.446 176.117 -0.015 0.000 1.064 334 I CA 0.266 61.564 61.300 -0.003 0.000 1.269 334 I CB 1.069 39.070 38.000 0.000 0.000 1.418 334 I HN 0.727 nan 8.210 nan 0.000 0.485 335 T N 6.220 120.755 114.554 -0.032 0.000 2.771 335 T HA 0.410 4.760 4.350 -0.000 0.000 0.291 335 T C -0.043 174.586 174.700 -0.118 0.000 0.954 335 T CA -0.406 61.660 62.100 -0.057 0.000 1.045 335 T CB 1.204 70.043 68.868 -0.048 0.000 0.917 335 T HN 0.166 nan 8.240 nan 0.000 0.484 336 V N 3.178 123.019 119.914 -0.122 0.000 2.409 336 V HA 0.703 4.823 4.120 -0.000 0.000 0.291 336 V C 0.791 176.749 176.094 -0.228 0.000 1.020 336 V CA -0.846 61.354 62.300 -0.168 0.000 0.848 336 V CB 1.647 33.426 31.823 -0.073 0.000 0.990 336 V HN 0.998 nan 8.190 nan 0.000 0.430 337 G N 2.734 111.257 108.800 -0.463 0.000 2.488 337 G HA2 0.701 4.660 3.960 -0.000 0.000 0.318 337 G HA3 0.701 4.660 3.960 -0.000 0.000 0.318 337 G C -0.482 174.439 174.900 0.035 0.000 1.188 337 G CA -0.310 44.555 45.100 -0.391 0.000 0.944 337 G HN 1.086 nan 8.290 nan 0.000 0.495 338 A N 0.291 123.252 122.820 0.234 0.000 2.303 338 A HA 0.790 5.110 4.320 -0.000 0.000 0.320 338 A C 0.325 178.012 177.584 0.172 0.000 1.192 338 A CA -0.390 51.750 52.037 0.172 0.000 0.821 338 A CB 0.887 19.929 19.000 0.070 0.000 1.188 338 A HN 1.110 nan 8.150 nan 0.000 0.492 339 T N 0.291 114.914 114.554 0.115 0.000 2.932 339 T HA 0.636 4.986 4.350 -0.000 0.000 0.289 339 T C -0.019 174.711 174.700 0.050 0.000 1.039 339 T CA -0.906 61.192 62.100 -0.004 0.000 1.024 339 T CB 1.338 70.199 68.868 -0.011 0.000 1.090 339 T HN 0.775 nan 8.240 nan 0.000 0.496 340 N N 0.361 119.018 118.700 -0.072 0.000 2.538 340 N HA 0.532 5.272 4.740 -0.000 0.000 0.292 340 N C 1.414 176.686 175.510 -0.396 0.000 1.262 340 N CA -0.548 52.417 53.050 -0.140 0.000 0.976 340 N CB -0.023 38.341 38.487 -0.206 0.000 1.161 340 N HN 0.695 nan 8.380 nan 0.000 0.598 341 A N -1.311 120.951 122.820 -0.930 0.000 2.125 341 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 341 A C 1.244 178.505 177.584 -0.539 0.000 1.156 341 A CA 1.289 52.537 52.037 -1.315 0.000 0.671 341 A CB -0.685 17.456 19.000 -1.431 0.000 0.794 341 A HN 0.667 nan 8.150 nan 0.000 0.459 342 Q N -0.250 119.334 119.800 -0.360 0.000 2.204 342 Q HA 0.157 4.497 4.340 -0.000 0.000 0.209 342 Q C -0.416 175.482 176.000 -0.170 0.000 0.861 342 Q CA 0.226 55.897 55.803 -0.219 0.000 0.971 342 Q CB 0.284 28.908 28.738 -0.190 0.000 1.095 342 Q HN 0.502 nan 8.270 nan 0.000 0.486 343 D N -0.157 120.150 120.400 -0.155 0.000 2.983 343 D HA -0.160 4.480 4.640 -0.000 0.000 0.225 343 D C -0.522 175.659 176.300 -0.199 0.000 1.174 343 D CA 0.886 54.816 54.000 -0.116 0.000 0.831 343 D CB -0.341 40.416 40.800 -0.071 0.000 1.104 343 D HN 0.265 nan 8.370 nan 0.000 0.421 344 Q N -0.528 119.119 119.800 -0.254 0.000 2.226 344 Q HA 0.485 4.825 4.340 -0.000 0.000 0.256 344 Q C -2.312 173.377 176.000 -0.519 0.000 0.962 344 Q CA -1.957 53.619 55.803 -0.378 0.000 0.887 344 Q CB 0.719 29.265 28.738 -0.319 0.000 1.282 344 Q HN -0.004 nan 8.270 nan 0.000 0.449 345 P HA 0.003 nan 4.420 nan 0.000 0.267 345 P C -0.444 176.286 177.300 -0.950 0.000 1.209 345 P CA -0.056 62.406 63.100 -1.064 0.000 0.763 345 P CB 0.381 30.976 31.700 -1.841 0.000 0.816 346 V N 4.547 124.196 119.914 -0.441 0.000 2.599 346 V HA 0.019 4.139 4.120 -0.000 0.000 0.300 346 V C 0.777 176.852 176.094 -0.031 0.000 1.034 346 V CA 0.721 62.910 62.300 -0.185 0.000 1.115 346 V CB -0.148 31.643 31.823 -0.054 0.000 0.934 346 V HN 0.538 nan 8.190 nan 0.000 0.485 347 T N 7.237 121.848 114.554 0.095 0.000 2.767 347 T HA 0.623 4.973 4.350 -0.000 0.000 0.284 347 T C -0.269 174.502 174.700 0.119 0.000 0.973 347 T CA -0.299 61.944 62.100 0.238 0.000 0.996 347 T CB 0.647 69.676 68.868 0.269 0.000 0.927 347 T HN 0.403 nan 8.240 nan 0.000 0.456 348 L N 3.610 124.900 121.223 0.111 0.000 2.366 348 L HA 0.553 4.893 4.340 -0.000 0.000 0.266 348 L C 1.231 178.128 176.870 0.045 0.000 1.010 348 L CA -0.491 54.379 54.840 0.050 0.000 0.879 348 L CB 0.540 42.605 42.059 0.009 0.000 1.228 348 L HN 0.985 nan 8.230 nan 0.000 0.439 349 G N 2.401 111.225 108.800 0.040 0.000 2.574 349 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.301 349 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.301 349 G C 0.799 175.725 174.900 0.043 0.000 1.166 349 G CA 0.705 45.826 45.100 0.034 0.000 0.971 349 G HN 0.593 nan 8.290 nan 0.000 0.542 350 T N -0.178 114.400 114.554 0.041 0.000 3.060 350 T HA 0.653 5.003 4.350 -0.000 0.000 0.249 350 T C 1.459 176.190 174.700 0.053 0.000 1.079 350 T CA 1.225 63.348 62.100 0.039 0.000 1.013 350 T CB 0.091 68.979 68.868 0.034 0.000 0.975 350 T HN 0.584 nan 8.240 nan 0.000 0.518 351 L N -0.371 120.896 121.223 0.073 0.000 2.818 351 L HA 0.888 5.228 4.340 -0.000 0.000 0.230 351 L C 0.941 177.914 176.870 0.172 0.000 2.013 351 L CA -0.826 54.076 54.840 0.104 0.000 2.420 351 L CB 0.479 42.590 42.059 0.087 0.000 2.612 351 L HN 0.363 nan 8.230 nan 0.000 0.595 352 G N -0.973 107.938 108.800 0.186 0.000 2.351 352 G HA2 0.158 4.118 3.960 -0.000 0.000 0.279 352 G HA3 0.158 4.118 3.960 -0.000 0.000 0.279 352 G C -1.167 173.877 174.900 0.240 0.000 1.297 352 G CA -0.143 45.120 45.100 0.272 0.000 0.886 352 G HN 0.460 nan 8.290 nan 0.000 0.493 353 T N 0.334 115.042 114.554 0.258 0.000 2.903 353 T HA 0.364 4.714 4.350 -0.000 0.000 0.314 353 T C 0.697 175.568 174.700 0.285 0.000 1.078 353 T CA 0.147 62.365 62.100 0.197 0.000 1.114 353 T CB -0.112 68.881 68.868 0.209 0.000 0.987 353 T HN 0.518 nan 8.240 nan 0.000 0.548 354 N N 1.717 120.456 118.700 0.064 0.000 2.408 354 N HA 0.576 5.316 4.740 -0.000 0.000 0.260 354 N C -0.406 175.116 175.510 0.020 0.000 1.242 354 N CA -0.338 52.617 53.050 -0.157 0.000 0.959 354 N CB 0.420 38.774 38.487 -0.222 0.000 1.201 354 N HN 0.634 nan 8.380 nan 0.000 0.511 355 F N -2.849 117.199 119.950 0.163 0.000 2.980 355 F HA 0.864 5.387 4.527 -0.007 0.000 0.335 355 F C 0.532 176.294 175.800 -0.064 0.000 1.210 355 F CA -0.826 57.186 58.000 0.020 0.000 0.986 355 F CB 0.378 39.327 39.000 -0.085 0.000 1.469 355 F HN 0.650 nan 8.300 nan 0.000 0.519 356 G N 0.337 109.248 108.800 0.185 0.000 2.592 356 G HA2 -0.024 3.935 3.960 -0.000 0.000 0.684 356 G HA3 -0.024 3.935 3.960 -0.000 0.000 0.684 356 G C 0.150 175.022 174.900 -0.048 0.000 1.291 356 G CA -0.252 44.892 45.100 0.073 0.000 0.891 356 G HN 1.304 nan 8.290 nan 0.000 0.544 357 R N -1.391 119.073 120.500 -0.061 0.000 2.200 357 R HA -0.026 4.314 4.340 -0.000 0.000 0.234 357 R C 2.088 178.391 176.300 0.005 0.000 1.127 357 R CA 2.241 58.309 56.100 -0.053 0.000 0.989 357 R CB -0.755 29.555 30.300 0.017 0.000 0.869 357 R HN 0.473 nan 8.270 nan 0.000 0.459 358 c N 0.978 119.587 118.600 0.016 0.000 2.562 358 c HA 0.247 4.817 4.570 -0.000 0.000 0.266 358 c C 0.725 174.803 174.090 -0.020 0.000 1.382 358 c CA -0.546 55.796 56.329 0.022 0.000 1.742 358 c CB -0.440 42.099 42.510 0.048 0.000 1.812 358 c HN 0.205 nan 8.230 nan 0.000 0.559 359 V N 2.122 121.997 119.914 -0.065 0.000 2.432 359 V HA 0.127 4.247 4.120 -0.000 0.000 0.275 359 V C 0.680 176.699 176.094 -0.125 0.000 1.043 359 V CA 0.371 62.580 62.300 -0.151 0.000 0.925 359 V CB 1.150 32.805 31.823 -0.281 0.000 0.985 359 V HN 0.415 nan 8.190 nan 0.000 0.466 360 D N 3.732 124.062 120.400 -0.117 0.000 2.162 360 D HA 0.143 4.783 4.640 -0.000 0.000 0.205 360 D C 0.433 176.703 176.300 -0.051 0.000 0.964 360 D CA 1.138 55.105 54.000 -0.055 0.000 0.847 360 D CB 0.723 41.505 40.800 -0.029 0.000 0.988 360 D HN 0.549 nan 8.370 nan 0.000 0.480 361 L N -3.882 117.265 121.223 -0.126 0.000 2.933 361 L HA 0.529 4.868 4.340 -0.000 0.000 0.271 361 L C -1.624 175.110 176.870 -0.227 0.000 1.071 361 L CA -0.995 53.816 54.840 -0.049 0.000 0.938 361 L CB 1.401 43.486 42.059 0.043 0.000 1.534 361 L HN -0.312 nan 8.230 nan 0.000 0.396 362 F N 0.376 120.340 119.950 0.022 0.000 2.575 362 F HA 0.948 5.473 4.527 -0.002 0.000 0.330 362 F C 0.439 176.235 175.800 -0.006 0.000 1.056 362 F CA -0.109 57.898 58.000 0.012 0.000 0.964 362 F CB 2.204 41.218 39.000 0.023 0.000 1.258 362 F HN 0.837 nan 8.300 nan 0.000 0.484 363 A N 1.404 124.314 122.820 0.149 0.000 2.606 363 A HA 0.732 5.052 4.320 -0.000 0.000 0.293 363 A C -3.027 174.503 177.584 -0.090 0.000 1.082 363 A CA -1.965 50.073 52.037 0.002 0.000 0.685 363 A CB 1.271 20.253 19.000 -0.031 0.000 1.284 363 A HN 0.385 nan 8.150 nan 0.000 0.408 364 P HA 0.156 nan 4.420 nan 0.000 0.259 364 P C 0.776 177.899 177.300 -0.295 0.000 1.163 364 P CA 1.513 64.413 63.100 -0.334 0.000 0.760 364 P CB 0.464 31.603 31.700 -0.935 0.000 0.762 365 G N 2.079 110.893 108.800 0.023 0.000 4.750 365 G HA2 0.091 4.051 3.960 -0.000 0.000 0.266 365 G HA3 0.091 4.051 3.960 -0.000 0.000 0.266 365 G C -0.337 174.635 174.900 0.118 0.000 1.000 365 G CA 0.000 45.133 45.100 0.054 0.000 0.776 365 G HN 0.483 nan 8.290 nan 0.000 0.357 366 E N 0.866 121.207 120.200 0.235 0.000 2.293 366 E HA 0.419 4.768 4.350 -0.000 0.000 0.270 366 E C -0.791 176.016 176.600 0.346 0.000 0.879 366 E CA -0.709 55.814 56.400 0.205 0.000 0.756 366 E CB 1.248 31.006 29.700 0.097 0.000 1.208 366 E HN -0.024 nan 8.360 nan 0.000 0.428 367 D N 2.677 123.214 120.400 0.227 0.000 2.735 367 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 367 D C -0.554 175.963 176.300 0.362 0.000 1.175 367 D CA 0.841 55.000 54.000 0.264 0.000 0.683 367 D CB -0.637 40.300 40.800 0.230 0.000 1.008 367 D HN 0.310 nan 8.370 nan 0.000 0.416 368 I N 1.384 122.105 120.570 0.252 0.000 2.297 368 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 368 I C 1.316 177.583 176.117 0.250 0.000 1.033 368 I CA -0.682 60.740 61.300 0.202 0.000 1.253 368 I CB 0.517 38.656 38.000 0.231 0.000 1.396 368 I HN -0.019 nan 8.210 nan 0.000 0.476 369 I N 5.917 126.578 120.570 0.151 0.000 2.533 369 I HA 0.410 4.580 4.170 -0.000 0.000 0.284 369 I C 0.957 177.128 176.117 0.090 0.000 1.109 369 I CA 0.437 61.833 61.300 0.160 0.000 1.412 369 I CB 0.733 38.773 38.000 0.067 0.000 1.396 369 I HN 0.722 nan 8.210 nan 0.000 0.543 370 G N 3.798 112.668 108.800 0.117 0.000 2.687 370 G HA2 0.676 4.636 3.960 -0.000 0.000 0.291 370 G HA3 0.676 4.636 3.960 -0.000 0.000 0.291 370 G C -1.247 173.597 174.900 -0.093 0.000 1.420 370 G CA -0.699 44.236 45.100 -0.274 0.000 0.796 370 G HN 0.766 nan 8.290 nan 0.000 0.485 371 A N -0.158 122.420 122.820 -0.403 0.000 2.498 371 A HA 0.551 4.870 4.320 -0.000 0.000 0.239 371 A C 0.720 178.033 177.584 -0.452 0.000 1.068 371 A CA 0.891 52.456 52.037 -0.786 0.000 0.766 371 A CB 0.367 18.654 19.000 -1.188 0.000 1.003 371 A HN 1.635 nan 8.150 nan 0.000 0.497 372 S N 0.674 116.142 115.700 -0.385 0.000 2.473 372 S HA 0.420 4.890 4.470 -0.000 0.000 0.307 372 S C 0.920 175.489 174.600 -0.052 0.000 1.094 372 S CA -0.030 58.106 58.200 -0.106 0.000 1.070 372 S CB 1.056 64.262 63.200 0.009 0.000 1.019 372 S HN 1.368 nan 8.310 nan 0.000 0.480 373 S N 2.979 118.664 115.700 -0.025 0.000 2.701 373 S HA 0.058 4.528 4.470 -0.000 0.000 0.220 373 S C 0.516 175.134 174.600 0.031 0.000 0.954 373 S CA 0.139 58.349 58.200 0.017 0.000 0.936 373 S CB -0.279 62.921 63.200 -0.000 0.000 0.777 373 S HN 0.719 nan 8.310 nan 0.000 0.518 374 D N 1.587 122.005 120.400 0.030 0.000 2.149 374 D HA 0.066 4.706 4.640 -0.000 0.000 0.201 374 D C 1.122 177.432 176.300 0.018 0.000 0.972 374 D CA 1.056 55.070 54.000 0.024 0.000 0.835 374 D CB 0.076 40.892 40.800 0.027 0.000 0.966 374 D HN 0.722 nan 8.370 nan 0.000 0.476 375 C N -1.849 117.463 119.300 0.020 0.000 3.285 375 C HA 0.545 5.004 4.460 -0.000 0.000 0.325 375 C C 1.796 176.735 174.990 -0.085 0.000 1.304 375 C CA -0.188 58.818 59.018 -0.020 0.000 1.319 375 C CB 1.199 28.925 27.740 -0.023 0.000 1.640 375 C HN 0.142 nan 8.230 nan 0.000 0.477 376 S N 0.492 116.086 115.700 -0.177 0.000 2.442 376 S HA -0.109 4.361 4.470 -0.000 0.000 0.236 376 S C 1.019 175.120 174.600 -0.832 0.000 1.007 376 S CA 1.958 59.904 58.200 -0.423 0.000 0.965 376 S CB -0.863 62.187 63.200 -0.249 0.000 0.773 376 S HN 1.763 nan 8.310 nan 0.000 0.504 377 T N -1.991 112.304 114.554 -0.431 0.000 3.228 377 T HA 0.463 4.812 4.350 -0.000 0.000 0.278 377 T C 0.234 174.872 174.700 -0.103 0.000 1.014 377 T CA -0.570 61.358 62.100 -0.286 0.000 0.904 377 T CB -0.971 67.851 68.868 -0.077 0.000 1.110 377 T HN 0.316 nan 8.240 nan 0.000 0.541 378 C N 1.682 120.909 119.300 -0.123 0.000 2.405 378 C HA 0.795 5.255 4.460 -0.000 0.000 0.365 378 C C -0.419 174.490 174.990 -0.135 0.000 1.233 378 C CA -0.623 58.410 59.018 0.025 0.000 2.230 378 C CB -0.484 27.282 27.740 0.045 0.000 2.443 378 C HN 0.582 nan 8.230 nan 0.000 0.556 379 F N 1.260 121.285 119.950 0.124 0.000 2.588 379 F HA 0.755 5.281 4.527 -0.001 0.000 0.314 379 F C 0.098 175.949 175.800 0.083 0.000 1.069 379 F CA -0.617 57.439 58.000 0.092 0.000 0.931 379 F CB 1.530 40.570 39.000 0.067 0.000 1.260 379 F HN 0.325 nan 8.300 nan 0.000 0.465 380 V N 0.844 120.930 119.914 0.286 0.000 3.147 380 V HA 0.645 4.765 4.120 -0.000 0.000 0.306 380 V C -1.284 174.956 176.094 0.243 0.000 1.209 380 V CA -0.560 61.865 62.300 0.208 0.000 1.023 380 V CB 2.494 34.392 31.823 0.126 0.000 1.059 380 V HN 0.740 nan 8.190 nan 0.000 0.435 381 S N 3.772 119.559 115.700 0.147 0.000 2.442 381 S HA 0.697 5.167 4.470 -0.000 0.000 0.297 381 S C -0.715 173.889 174.600 0.007 0.000 1.131 381 S CA -0.356 57.924 58.200 0.134 0.000 1.092 381 S CB 0.876 64.145 63.200 0.115 0.000 0.998 381 S HN 0.762 nan 8.310 nan 0.000 0.478 382 Q N 2.059 121.820 119.800 -0.066 0.000 2.451 382 Q HA 0.616 4.956 4.340 -0.000 0.000 0.281 382 Q C -1.332 174.636 176.000 -0.053 0.000 1.099 382 Q CA -0.878 54.801 55.803 -0.206 0.000 0.806 382 Q CB 2.510 30.854 28.738 -0.656 0.000 1.419 382 Q HN 0.644 nan 8.270 nan 0.000 0.427 383 S N -0.521 115.156 115.700 -0.038 0.000 2.548 383 S HA 0.972 5.442 4.470 -0.000 0.000 0.286 383 S C -0.764 173.841 174.600 0.007 0.000 1.098 383 S CA -0.344 57.866 58.200 0.016 0.000 0.930 383 S CB 1.971 65.187 63.200 0.027 0.000 1.070 383 S HN 0.886 nan 8.310 nan 0.000 0.480 384 G N 0.440 109.253 108.800 0.021 0.000 2.352 384 G HA2 0.243 4.202 3.960 -0.000 0.000 0.302 384 G HA3 0.243 4.202 3.960 -0.000 0.000 0.302 384 G C 0.300 175.209 174.900 0.014 0.000 1.370 384 G CA -0.000 45.103 45.100 0.006 0.000 0.918 384 G HN 0.746 nan 8.290 nan 0.000 0.610 385 T N -1.684 112.863 114.554 -0.011 0.000 3.035 385 T HA 0.048 4.398 4.350 -0.000 0.000 0.268 385 T C 2.326 177.036 174.700 0.016 0.000 1.109 385 T CA 2.154 64.248 62.100 -0.009 0.000 1.119 385 T CB -0.058 68.781 68.868 -0.050 0.000 0.900 385 T HN 0.483 nan 8.240 nan 0.000 0.503 386 S N 1.945 117.670 115.700 0.043 0.000 2.359 386 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 386 S C 2.373 177.003 174.600 0.051 0.000 1.035 386 S CA 1.265 59.505 58.200 0.066 0.000 1.018 386 S CB -0.298 62.979 63.200 0.127 0.000 0.876 386 S HN 0.618 nan 8.310 nan 0.000 0.448 387 Q N 1.222 121.060 119.800 0.064 0.000 2.119 387 Q HA 0.070 4.410 4.340 -0.000 0.000 0.201 387 Q C 2.355 178.477 176.000 0.204 0.000 0.972 387 Q CA 1.333 57.212 55.803 0.128 0.000 0.847 387 Q CB -0.886 27.945 28.738 0.155 0.000 0.903 387 Q HN 0.563 nan 8.270 nan 0.000 0.433 388 A N 1.723 124.603 122.820 0.101 0.000 1.902 388 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 388 A C 2.437 180.068 177.584 0.079 0.000 1.181 388 A CA 1.941 54.010 52.037 0.053 0.000 0.623 388 A CB -0.747 18.259 19.000 0.011 0.000 0.818 388 A HN 0.393 nan 8.150 nan 0.000 0.443 389 A N -0.155 122.697 122.820 0.052 0.000 1.933 389 A HA 0.173 4.493 4.320 -0.000 0.000 0.218 389 A C 2.476 180.088 177.584 0.046 0.000 1.175 389 A CA 1.990 54.048 52.037 0.036 0.000 0.628 389 A CB -0.947 18.068 19.000 0.025 0.000 0.814 389 A HN 1.049 nan 8.150 nan 0.000 0.444 390 A N -0.844 122.006 122.820 0.051 0.000 1.933 390 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 390 A C 1.919 179.480 177.584 -0.039 0.000 1.175 390 A CA 1.961 53.995 52.037 -0.005 0.000 0.628 390 A CB -0.853 18.125 19.000 -0.038 0.000 0.814 390 A HN 0.655 nan 8.150 nan 0.000 0.444 391 H N -0.857 118.178 119.070 -0.057 0.000 2.290 391 H HA -0.095 4.461 4.556 0.000 0.000 0.298 391 H C 2.086 177.380 175.328 -0.056 0.000 1.087 391 H CA 2.026 58.030 56.048 -0.073 0.000 1.291 391 H CB -0.205 29.509 29.762 -0.081 0.000 1.369 391 H HN 0.230 nan 8.280 nan 0.000 0.492 392 V N 0.368 120.337 119.914 0.091 0.000 2.515 392 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 392 V C 2.483 178.588 176.094 0.019 0.000 1.058 392 V CA 1.419 63.747 62.300 0.046 0.000 1.064 392 V CB -0.903 30.942 31.823 0.036 0.000 0.675 392 V HN 0.572 nan 8.190 nan 0.000 0.461 393 A N 0.604 123.430 122.820 0.009 0.000 1.930 393 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 393 A C 2.404 179.975 177.584 -0.022 0.000 1.175 393 A CA 1.793 53.830 52.037 -0.000 0.000 0.627 393 A CB -1.055 17.947 19.000 0.002 0.000 0.815 393 A HN 0.507 nan 8.150 nan 0.000 0.443 394 G N 0.177 108.945 108.800 -0.053 0.000 2.421 394 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 394 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 394 G C 1.525 176.383 174.900 -0.070 0.000 1.171 394 G CA 1.114 46.163 45.100 -0.085 0.000 0.775 394 G HN 0.469 nan 8.290 nan 0.000 0.543 395 I N 1.470 122.009 120.570 -0.052 0.000 2.163 395 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 395 I C 3.316 179.428 176.117 -0.009 0.000 1.085 395 I CA 1.047 62.323 61.300 -0.041 0.000 1.347 395 I CB -0.260 37.737 38.000 -0.004 0.000 1.044 395 I HN 0.248 nan 8.210 nan 0.000 0.408 396 A N 0.806 123.631 122.820 0.008 0.000 1.883 396 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 396 A C 2.568 180.166 177.584 0.024 0.000 1.186 396 A CA 1.995 54.046 52.037 0.022 0.000 0.624 396 A CB -0.947 18.065 19.000 0.021 0.000 0.822 396 A HN 0.441 nan 8.150 nan 0.000 0.444 397 A N -0.670 122.155 122.820 0.009 0.000 1.908 397 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 397 A C 2.284 179.883 177.584 0.024 0.000 1.181 397 A CA 1.978 54.022 52.037 0.011 0.000 0.627 397 A CB -0.550 18.445 19.000 -0.009 0.000 0.818 397 A HN 0.549 nan 8.150 nan 0.000 0.445 398 M N -1.451 118.150 119.600 0.001 0.000 2.175 398 M HA -0.101 4.378 4.480 -0.000 0.000 0.264 398 M C 2.394 178.797 176.300 0.170 0.000 1.063 398 M CA 1.491 56.798 55.300 0.012 0.000 1.119 398 M CB -0.357 32.133 32.600 -0.183 0.000 1.377 398 M HN 0.439 nan 8.290 nan 0.000 0.415 399 M N -0.192 119.496 119.600 0.147 0.000 2.132 399 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 399 M C 1.990 178.363 176.300 0.122 0.000 1.065 399 M CA 1.496 56.914 55.300 0.196 0.000 1.122 399 M CB -0.374 32.303 32.600 0.129 0.000 1.365 399 M HN 0.277 nan 8.290 nan 0.000 0.411 400 L N -0.888 120.383 121.223 0.081 0.000 2.291 400 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 400 L C 2.453 179.361 176.870 0.064 0.000 1.120 400 L CA 0.540 55.412 54.840 0.054 0.000 0.799 400 L CB -0.374 41.708 42.059 0.038 0.000 0.925 400 L HN 0.222 nan 8.230 nan 0.000 0.446 401 S N -0.085 115.669 115.700 0.090 0.000 2.383 401 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 401 S C 2.172 176.832 174.600 0.101 0.000 1.026 401 S CA 1.186 59.441 58.200 0.091 0.000 0.981 401 S CB -0.102 63.162 63.200 0.105 0.000 0.818 401 S HN 0.507 nan 8.310 nan 0.000 0.472 402 A N 1.111 124.011 122.820 0.133 0.000 1.898 402 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 402 A C 0.769 178.417 177.584 0.107 0.000 1.183 402 A CA 0.643 52.739 52.037 0.098 0.000 0.622 402 A CB 0.027 19.040 19.000 0.021 0.000 0.824 402 A HN 0.499 nan 8.150 nan 0.000 0.444 403 E N -0.217 120.024 120.200 0.068 0.000 2.873 403 E HA 0.178 4.528 4.350 -0.000 0.000 0.232 403 E C -2.326 174.283 176.600 0.016 0.000 1.123 403 E CA -1.856 54.568 56.400 0.040 0.000 0.809 403 E CB 1.361 31.029 29.700 -0.053 0.000 1.366 403 E HN 0.273 nan 8.360 nan 0.000 0.400 404 P HA -0.167 nan 4.420 nan 0.000 0.225 404 P C 0.720 178.020 177.300 0.000 0.000 1.148 404 P CA 0.973 64.082 63.100 0.017 0.000 0.779 404 P CB 0.456 32.168 31.700 0.020 0.000 0.780 405 E N -0.210 119.984 120.200 -0.010 0.000 2.358 405 E HA 0.026 4.376 4.350 -0.000 0.000 0.195 405 E C 0.986 177.559 176.600 -0.045 0.000 1.010 405 E CA 0.002 56.387 56.400 -0.025 0.000 0.856 405 E CB -0.229 29.454 29.700 -0.028 0.000 0.795 405 E HN 0.399 nan 8.360 nan 0.000 0.504 406 L N 2.890 124.080 121.223 -0.056 0.000 2.559 406 L HA -0.032 4.308 4.340 -0.000 0.000 0.274 406 L C 1.046 177.885 176.870 -0.052 0.000 1.205 406 L CA 0.232 55.027 54.840 -0.076 0.000 0.907 406 L CB 0.042 42.058 42.059 -0.072 0.000 1.153 406 L HN 0.073 nan 8.230 nan 0.000 0.490 407 T N 0.353 114.871 114.554 -0.060 0.000 2.874 407 T HA 0.176 4.526 4.350 -0.000 0.000 0.281 407 T C 0.973 175.648 174.700 -0.041 0.000 0.994 407 T CA -0.892 61.183 62.100 -0.041 0.000 1.015 407 T CB 1.476 70.322 68.868 -0.037 0.000 1.028 407 T HN 0.491 nan 8.240 nan 0.000 0.523 408 L N 1.753 122.960 121.223 -0.026 0.000 2.043 408 L HA 0.003 4.343 4.340 -0.000 0.000 0.212 408 L C 2.689 179.542 176.870 -0.030 0.000 1.075 408 L CA 2.571 57.398 54.840 -0.021 0.000 0.752 408 L CB -1.500 40.553 42.059 -0.011 0.000 0.891 408 L HN 0.918 nan 8.230 nan 0.000 0.432 409 A N -0.763 122.039 122.820 -0.030 0.000 1.877 409 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 409 A C 2.180 179.723 177.584 -0.067 0.000 1.186 409 A CA 1.883 53.901 52.037 -0.032 0.000 0.620 409 A CB -0.730 18.260 19.000 -0.018 0.000 0.822 409 A HN 0.642 nan 8.150 nan 0.000 0.443 410 E N -0.638 119.508 120.200 -0.090 0.000 2.077 410 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 410 E C 1.997 178.485 176.600 -0.188 0.000 0.989 410 E CA 1.189 57.491 56.400 -0.163 0.000 0.800 410 E CB -0.247 29.358 29.700 -0.160 0.000 0.746 410 E HN 0.599 nan 8.360 nan 0.000 0.452 411 L N 0.920 122.078 121.223 -0.108 0.000 2.017 411 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 411 L C 2.678 179.514 176.870 -0.058 0.000 1.073 411 L CA 1.355 56.154 54.840 -0.068 0.000 0.745 411 L CB -0.124 41.917 42.059 -0.030 0.000 0.894 411 L HN 0.017 nan 8.230 nan 0.000 0.432 412 R N -0.861 119.608 120.500 -0.051 0.000 2.083 412 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 412 R C 2.258 178.529 176.300 -0.049 0.000 1.137 412 R CA 1.782 57.865 56.100 -0.029 0.000 0.951 412 R CB -0.247 30.044 30.300 -0.014 0.000 0.851 412 R HN 0.479 nan 8.270 nan 0.000 0.434 413 Q N 0.120 119.852 119.800 -0.113 0.000 2.124 413 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 413 Q C 2.220 178.051 176.000 -0.281 0.000 0.977 413 Q CA 1.571 57.271 55.803 -0.171 0.000 0.850 413 Q CB -0.142 28.454 28.738 -0.237 0.000 0.901 413 Q HN 0.378 nan 8.270 nan 0.000 0.429 414 R N 0.256 120.547 120.500 -0.349 0.000 2.066 414 R HA -0.039 4.301 4.340 -0.000 0.000 0.232 414 R C 2.501 178.876 176.300 0.125 0.000 1.131 414 R CA 0.789 56.782 56.100 -0.177 0.000 0.955 414 R CB -0.333 29.959 30.300 -0.014 0.000 0.851 414 R HN 0.161 nan 8.270 nan 0.000 0.432 415 L N 0.350 121.632 121.223 0.099 0.000 2.013 415 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 415 L C 2.302 179.243 176.870 0.119 0.000 1.073 415 L CA 1.488 56.406 54.840 0.131 0.000 0.753 415 L CB -0.425 41.678 42.059 0.074 0.000 0.890 415 L HN 0.235 nan 8.230 nan 0.000 0.432 416 I N -1.289 119.326 120.570 0.075 0.000 2.179 416 I HA -0.343 3.827 4.170 -0.000 0.000 0.242 416 I C 2.602 178.771 176.117 0.087 0.000 1.088 416 I CA 1.430 62.780 61.300 0.082 0.000 1.357 416 I CB -0.401 37.646 38.000 0.079 0.000 1.051 416 I HN 0.300 nan 8.210 nan 0.000 0.409 417 H N 0.840 119.877 119.070 -0.055 0.000 2.321 417 H HA -0.175 4.381 4.556 -0.000 0.000 0.300 417 H C 1.588 176.809 175.328 -0.178 0.000 1.087 417 H CA 1.961 57.917 56.048 -0.153 0.000 1.319 417 H CB -0.105 29.493 29.762 -0.274 0.000 1.379 417 H HN 0.201 nan 8.280 nan 0.000 0.501 418 F N 0.162 120.189 119.950 0.129 0.000 2.797 418 F HA 0.224 4.750 4.527 -0.001 0.000 0.302 418 F C 1.193 177.018 175.800 0.041 0.000 1.130 418 F CA 0.034 58.074 58.000 0.067 0.000 1.387 418 F CB -0.252 38.843 39.000 0.157 0.000 1.107 418 F HN -0.070 nan 8.300 nan 0.000 0.577 419 S N 0.574 116.370 115.700 0.159 0.000 2.579 419 S HA 0.472 4.942 4.470 -0.000 0.000 0.275 419 S C 0.540 175.191 174.600 0.084 0.000 1.345 419 S CA -0.616 57.655 58.200 0.118 0.000 1.031 419 S CB 0.578 63.839 63.200 0.102 0.000 0.892 419 S HN 0.255 nan 8.310 nan 0.000 0.529 420 A N 3.745 126.613 122.820 0.080 0.000 2.440 420 A HA 0.374 4.694 4.320 -0.000 0.000 0.251 420 A C 0.169 177.785 177.584 0.053 0.000 1.089 420 A CA -0.209 51.864 52.037 0.059 0.000 0.779 420 A CB 0.216 19.248 19.000 0.054 0.000 1.022 420 A HN 0.649 nan 8.150 nan 0.000 0.492 421 K N 1.675 122.099 120.400 0.040 0.000 2.203 421 K HA 0.320 4.640 4.320 -0.000 0.000 0.251 421 K C -0.843 175.775 176.600 0.031 0.000 0.944 421 K CA -0.717 55.594 56.287 0.040 0.000 0.829 421 K CB 1.216 33.735 32.500 0.032 0.000 1.125 421 K HN 0.685 nan 8.250 nan 0.000 0.430 422 D N 0.744 121.164 120.400 0.033 0.000 2.751 422 D HA -0.126 4.514 4.640 -0.000 0.000 0.233 422 D C 0.865 177.167 176.300 0.002 0.000 1.149 422 D CA 1.116 55.129 54.000 0.022 0.000 0.682 422 D CB -1.291 39.524 40.800 0.025 0.000 1.068 422 D HN 0.456 nan 8.370 nan 0.000 0.429 423 V N -3.022 116.887 119.914 -0.008 0.000 3.590 423 V HA 0.229 4.349 4.120 -0.000 0.000 0.265 423 V C 1.178 177.230 176.094 -0.069 0.000 1.239 423 V CA 0.027 62.309 62.300 -0.030 0.000 1.117 423 V CB 0.165 31.976 31.823 -0.020 0.000 0.818 423 V HN 0.183 nan 8.190 nan 0.000 0.451 424 I N 2.683 123.202 120.570 -0.085 0.000 2.365 424 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 424 I C 0.250 176.291 176.117 -0.127 0.000 1.004 424 I CA -0.207 60.998 61.300 -0.159 0.000 1.311 424 I CB 0.825 38.694 38.000 -0.219 0.000 1.401 424 I HN 0.066 nan 8.210 nan 0.000 0.491 425 N N 6.292 124.893 118.700 -0.166 0.000 2.406 425 N HA -0.029 4.711 4.740 -0.000 0.000 0.265 425 N C 1.040 176.456 175.510 -0.156 0.000 1.203 425 N CA 0.261 53.236 53.050 -0.124 0.000 0.945 425 N CB 0.616 39.039 38.487 -0.107 0.000 1.165 425 N HN 0.463 nan 8.380 nan 0.000 0.485 426 E N 2.718 122.882 120.200 -0.060 0.000 2.219 426 E HA -0.216 4.134 4.350 -0.000 0.000 0.198 426 E C 1.342 177.922 176.600 -0.034 0.000 0.998 426 E CA 1.129 57.542 56.400 0.022 0.000 0.818 426 E CB -0.183 29.557 29.700 0.068 0.000 0.741 426 E HN 0.728 nan 8.360 nan 0.000 0.477 427 A N 0.649 123.435 122.820 -0.057 0.000 2.084 427 A HA -0.193 4.127 4.320 -0.000 0.000 0.221 427 A C 1.873 179.401 177.584 -0.094 0.000 1.161 427 A CA 1.230 53.233 52.037 -0.058 0.000 0.653 427 A CB -1.025 17.947 19.000 -0.046 0.000 0.802 427 A HN 0.461 nan 8.150 nan 0.000 0.457 428 W N -0.502 120.566 121.300 -0.387 0.000 2.402 428 W HA 0.056 4.725 4.660 0.015 0.000 0.286 428 W C -0.181 176.076 176.519 -0.437 0.000 1.221 428 W CA 0.590 57.663 57.345 -0.454 0.000 1.257 428 W CB -0.042 29.033 29.460 -0.642 0.000 1.120 428 W HN 0.168 nan 8.180 nan 0.000 0.551 429 F N 1.317 121.294 119.950 0.045 0.000 2.370 429 F HA 0.341 4.867 4.527 -0.002 0.000 0.324 429 F C -1.536 174.061 175.800 -0.338 0.000 1.116 429 F CA -3.308 54.535 58.000 -0.262 0.000 1.123 429 F CB -1.005 37.830 39.000 -0.275 0.000 1.238 429 F HN -0.413 nan 8.300 nan 0.000 0.536 430 P HA 0.027 nan 4.420 nan 0.000 0.267 430 P C 0.521 177.751 177.300 -0.117 0.000 1.200 430 P CA -0.008 62.984 63.100 -0.180 0.000 0.772 430 P CB 0.416 32.002 31.700 -0.188 0.000 0.855 431 E N 1.151 121.311 120.200 -0.068 0.000 2.160 431 E HA -0.314 4.036 4.350 -0.000 0.000 0.195 431 E C 0.825 177.396 176.600 -0.048 0.000 0.991 431 E CA 1.238 57.615 56.400 -0.040 0.000 0.810 431 E CB -0.650 29.044 29.700 -0.010 0.000 0.742 431 E HN 0.286 nan 8.360 nan 0.000 0.466 432 D N 0.852 121.225 120.400 -0.045 0.000 2.191 432 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 432 D C 1.762 177.995 176.300 -0.111 0.000 1.003 432 D CA 1.395 55.374 54.000 -0.035 0.000 0.867 432 D CB 0.036 40.824 40.800 -0.020 0.000 0.926 432 D HN 0.302 nan 8.370 nan 0.000 0.450 433 Q N -1.092 118.604 119.800 -0.174 0.000 2.317 433 Q HA 0.180 4.520 4.340 -0.000 0.000 0.220 433 Q C 1.991 177.793 176.000 -0.330 0.000 0.873 433 Q CA -0.133 55.514 55.803 -0.260 0.000 0.936 433 Q CB 0.479 29.028 28.738 -0.316 0.000 1.105 433 Q HN 0.263 nan 8.270 nan 0.000 0.520 434 R N 0.741 121.108 120.500 -0.223 0.000 2.083 434 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 434 R C 2.453 178.567 176.300 -0.310 0.000 1.137 434 R CA 2.014 58.021 56.100 -0.155 0.000 0.951 434 R CB -0.590 29.678 30.300 -0.053 0.000 0.851 434 R HN 0.194 nan 8.270 nan 0.000 0.434 435 V N -0.709 118.906 119.914 -0.497 0.000 2.343 435 V HA -0.186 3.933 4.120 -0.000 0.000 0.247 435 V C 2.076 177.480 176.094 -1.150 0.000 1.051 435 V CA 1.699 63.486 62.300 -0.854 0.000 1.036 435 V CB -0.848 30.244 31.823 -1.219 0.000 0.654 435 V HN 0.223 nan 8.190 nan 0.000 0.451 436 L N 0.196 120.762 121.223 -1.095 0.000 2.217 436 L HA 0.062 4.402 4.340 -0.000 0.000 0.211 436 L C 1.150 177.672 176.870 -0.580 0.000 1.107 436 L CA 0.880 55.092 54.840 -1.048 0.000 0.783 436 L CB -0.959 40.683 42.059 -0.696 0.000 0.919 436 L HN 0.318 nan 8.230 nan 0.000 0.442 437 T N 2.133 116.416 114.554 -0.452 0.000 2.729 437 T HA 0.300 4.650 4.350 -0.000 0.000 0.296 437 T C -2.297 172.310 174.700 -0.155 0.000 0.928 437 T CA -1.107 60.807 62.100 -0.311 0.000 1.045 437 T CB 1.061 69.560 68.868 -0.615 0.000 0.902 437 T HN -0.076 nan 8.240 nan 0.000 0.500 438 P HA 0.179 nan 4.420 nan 0.000 0.276 438 P C -0.002 177.399 177.300 0.169 0.000 1.230 438 P CA -0.535 62.602 63.100 0.061 0.000 0.776 438 P CB 0.416 32.162 31.700 0.078 0.000 0.888 439 N N 3.869 122.639 118.700 0.116 0.000 3.188 439 N HA 0.165 4.905 4.740 -0.000 0.000 0.279 439 N C -1.242 174.337 175.510 0.115 0.000 1.213 439 N CA 0.106 53.221 53.050 0.108 0.000 1.138 439 N CB -0.707 37.822 38.487 0.069 0.000 1.417 439 N HN 0.353 nan 8.380 nan 0.000 0.526 440 L N 1.018 122.353 121.223 0.188 0.000 2.410 440 L HA 0.536 4.876 4.340 -0.000 0.000 0.270 440 L C -0.648 176.347 176.870 0.208 0.000 0.983 440 L CA -1.034 53.905 54.840 0.165 0.000 0.822 440 L CB 2.353 44.502 42.059 0.149 0.000 1.285 440 L HN -0.198 nan 8.230 nan 0.000 0.409 441 V N 2.141 122.137 119.914 0.138 0.000 2.444 441 V HA 0.544 4.664 4.120 -0.000 0.000 0.294 441 V C 0.518 176.673 176.094 0.101 0.000 1.022 441 V CA -0.715 61.664 62.300 0.132 0.000 0.850 441 V CB 1.723 33.601 31.823 0.090 0.000 0.992 441 V HN 0.889 nan 8.190 nan 0.000 0.426 442 A N 4.067 126.943 122.820 0.093 0.000 2.561 442 A HA 0.668 4.988 4.320 -0.000 0.000 0.234 442 A C 0.446 178.068 177.584 0.063 0.000 1.055 442 A CA 0.767 52.852 52.037 0.079 0.000 0.756 442 A CB 0.175 19.214 19.000 0.064 0.000 0.986 442 A HN 1.721 nan 8.150 nan 0.000 0.505 443 A N 1.770 124.638 122.820 0.080 0.000 2.594 443 A HA 0.616 4.936 4.320 -0.000 0.000 0.295 443 A C -0.570 177.050 177.584 0.061 0.000 1.071 443 A CA -0.664 51.404 52.037 0.052 0.000 0.685 443 A CB 0.623 19.665 19.000 0.069 0.000 1.285 443 A HN 0.857 nan 8.150 nan 0.000 0.405 444 L N 1.794 123.007 121.223 -0.016 0.000 2.461 444 L HA 0.292 4.631 4.340 -0.000 0.000 0.272 444 L C -2.003 174.871 176.870 0.006 0.000 1.197 444 L CA -1.444 53.388 54.840 -0.013 0.000 0.836 444 L CB 0.748 42.737 42.059 -0.117 0.000 1.105 444 L HN 0.429 nan 8.230 nan 0.000 0.477 445 P HA 0.061 nan 4.420 nan 0.000 0.271 445 P C -2.006 175.233 177.300 -0.102 0.000 1.216 445 P CA -1.168 61.608 63.100 -0.540 0.000 0.771 445 P CB 0.242 31.506 31.700 -0.727 0.000 0.864 446 P HA -0.116 nan 4.420 nan 0.000 0.216 446 P C -0.064 177.240 177.300 0.007 0.000 1.150 446 P CA 1.501 64.643 63.100 0.070 0.000 0.837 446 P CB 0.340 32.068 31.700 0.047 0.000 0.786 447 S N -1.966 113.675 115.700 -0.098 0.000 2.667 447 S HA 0.395 4.865 4.470 -0.000 0.000 0.292 447 S C 0.932 175.443 174.600 -0.149 0.000 1.126 447 S CA -0.122 58.008 58.200 -0.118 0.000 0.881 447 S CB 1.852 65.014 63.200 -0.064 0.000 1.132 447 S HN 0.182 nan 8.310 nan 0.000 0.492 448 T N -1.475 112.976 114.554 -0.172 0.000 3.018 448 T HA 0.343 4.693 4.350 -0.000 0.000 0.246 448 T C 0.163 174.817 174.700 -0.077 0.000 1.026 448 T CA 0.511 62.507 62.100 -0.173 0.000 1.081 448 T CB -0.229 68.454 68.868 -0.308 0.000 0.970 448 T HN 0.612 nan 8.240 nan 0.000 0.475 454 Q N 1.222 121.056 119.800 0.057 0.000 2.297 454 Q HA 0.485 4.825 4.340 -0.000 0.000 0.268 454 Q C -0.938 174.815 176.000 -0.411 0.000 1.045 454 Q CA -1.073 54.521 55.803 -0.349 0.000 0.861 454 Q CB 2.613 30.913 28.738 -0.730 0.000 1.344 454 Q HN 0.228 nan 8.270 nan 0.000 0.452 455 L N 1.873 122.834 121.223 -0.437 0.000 2.278 455 L HA 0.404 4.744 4.340 -0.000 0.000 0.287 455 L C -1.656 174.937 176.870 -0.463 0.000 1.072 455 L CA 0.379 55.041 54.840 -0.298 0.000 0.819 455 L CB -0.013 41.947 42.059 -0.165 0.000 1.176 455 L HN 0.389 nan 8.230 nan 0.000 0.435 456 F N 3.975 123.902 119.950 -0.037 0.000 2.443 456 F HA 0.616 5.142 4.527 -0.000 0.000 0.335 456 F C 0.197 175.994 175.800 -0.005 0.000 1.104 456 F CA -0.386 57.580 58.000 -0.058 0.000 1.013 456 F CB 1.468 40.430 39.000 -0.062 0.000 1.136 456 F HN 0.372 nan 8.300 nan 0.000 0.470 457 c N 2.562 121.280 118.600 0.197 0.000 2.698 457 c HA 0.797 5.367 4.570 -0.000 0.000 0.309 457 c C -0.564 173.610 174.090 0.140 0.000 1.186 457 c CA -1.125 55.288 56.329 0.140 0.000 1.474 457 c CB 2.165 44.735 42.510 0.101 0.000 2.020 457 c HN 0.956 nan 8.230 nan 0.000 0.474 458 R N 0.499 121.066 120.500 0.112 0.000 2.837 458 R HA 0.798 5.138 4.340 -0.000 0.000 0.271 458 R C -1.296 175.062 176.300 0.096 0.000 0.993 458 R CA -0.274 55.892 56.100 0.109 0.000 0.931 458 R CB 1.210 31.568 30.300 0.096 0.000 1.206 458 R HN 0.548 nan 8.270 nan 0.000 0.474 459 T N 1.746 116.369 114.554 0.116 0.000 2.767 459 T HA 0.319 4.669 4.350 -0.000 0.000 0.288 459 T C -0.508 174.270 174.700 0.131 0.000 0.963 459 T CA -0.487 61.673 62.100 0.101 0.000 1.019 459 T CB 1.216 70.173 68.868 0.148 0.000 0.923 459 T HN 0.323 nan 8.240 nan 0.000 0.468 460 V N 4.313 124.263 119.914 0.061 0.000 2.357 460 V HA 0.359 4.479 4.120 -0.000 0.000 0.284 460 V C -0.732 175.399 176.094 0.061 0.000 1.018 460 V CA -1.127 61.237 62.300 0.106 0.000 0.841 460 V CB 0.851 32.719 31.823 0.074 0.000 0.991 460 V HN 0.831 nan 8.190 nan 0.000 0.437 461 W N 3.458 124.764 121.300 0.010 0.000 2.316 461 W HA 0.530 5.192 4.660 0.003 0.000 0.311 461 W C 1.100 177.672 176.519 0.089 0.000 1.217 461 W CA -0.137 57.224 57.345 0.028 0.000 1.199 461 W CB 1.269 30.691 29.460 -0.063 0.000 1.202 461 W HN 0.712 nan 8.180 nan 0.000 0.528 462 S N 2.368 118.253 115.700 0.308 0.000 2.606 462 S HA 0.648 5.117 4.470 -0.000 0.000 0.257 462 S C 0.298 175.096 174.600 0.329 0.000 1.327 462 S CA -0.726 57.619 58.200 0.241 0.000 0.984 462 S CB 0.636 63.923 63.200 0.146 0.000 0.941 462 S HN 0.676 nan 8.310 nan 0.000 0.576 463 A N 0.604 123.540 122.820 0.194 0.000 2.425 463 A HA 0.306 4.626 4.320 -0.000 0.000 0.249 463 A C 0.258 177.905 177.584 0.106 0.000 1.084 463 A CA -0.279 51.864 52.037 0.176 0.000 0.781 463 A CB -0.708 18.340 19.000 0.081 0.000 1.019 463 A HN 0.989 nan 8.150 nan 0.000 0.490 464 H N 1.652 120.693 119.070 -0.048 0.000 3.115 464 H HA 0.059 4.616 4.556 0.002 0.000 0.324 464 H C 1.669 176.870 175.328 -0.213 0.000 1.007 464 H CA 1.216 57.041 56.048 -0.372 0.000 1.385 464 H CB 0.765 30.366 29.762 -0.268 0.000 1.351 464 H HN 0.729 nan 8.280 nan 0.000 0.592 465 S N 2.970 118.295 115.700 -0.625 0.000 2.402 465 S HA 0.118 4.588 4.470 -0.000 0.000 0.229 465 S C 1.062 175.532 174.600 -0.216 0.000 1.021 465 S CA 0.430 58.422 58.200 -0.346 0.000 0.974 465 S CB -0.407 62.589 63.200 -0.340 0.000 0.800 465 S HN 1.270 nan 8.310 nan 0.000 0.484 466 G N 0.940 109.612 108.800 -0.213 0.000 2.629 466 G HA2 0.042 4.002 3.960 -0.000 0.000 0.686 466 G HA3 0.042 4.002 3.960 -0.000 0.000 0.686 466 G C -2.542 172.340 174.900 -0.031 0.000 1.232 466 G CA -0.449 44.650 45.100 -0.002 0.000 0.803 466 G HN 0.144 nan 8.290 nan 0.000 0.638 467 P HA 0.038 nan 4.420 nan 0.000 0.217 467 P C 1.647 178.929 177.300 -0.029 0.000 1.151 467 P CA 1.742 64.847 63.100 0.008 0.000 0.828 467 P CB -0.266 31.441 31.700 0.011 0.000 0.788 468 T N -0.837 113.702 114.554 -0.024 0.000 2.908 468 T HA 0.025 4.375 4.350 -0.000 0.000 0.325 468 T C 0.544 175.232 174.700 -0.020 0.000 1.092 468 T CA -0.490 61.597 62.100 -0.021 0.000 1.125 468 T CB 0.247 69.109 68.868 -0.010 0.000 1.016 468 T HN -0.028 nan 8.240 nan 0.000 0.550 469 R N 2.598 123.094 120.500 -0.007 0.000 2.590 469 R HA 0.088 4.428 4.340 -0.000 0.000 0.274 469 R C 0.849 177.167 176.300 0.030 0.000 1.061 469 R CA -0.298 55.811 56.100 0.016 0.000 1.081 469 R CB 0.156 30.485 30.300 0.048 0.000 0.984 469 R HN 0.739 nan 8.270 nan 0.000 0.448 470 M N -1.272 118.355 119.600 0.045 0.000 2.762 470 M HA -0.226 4.254 4.480 -0.000 0.000 0.190 470 M C -0.158 176.192 176.300 0.084 0.000 0.586 470 M CA 1.012 56.355 55.300 0.071 0.000 0.620 470 M CB -2.758 29.869 32.600 0.047 0.000 2.269 470 M HN 0.761 nan 8.290 nan 0.000 0.563 471 A N 0.831 123.671 122.820 0.032 0.000 2.425 471 A HA 0.525 4.845 4.320 -0.000 0.000 0.249 471 A C 0.911 178.479 177.584 -0.028 0.000 1.084 471 A CA 0.414 52.449 52.037 -0.003 0.000 0.781 471 A CB 0.271 19.245 19.000 -0.043 0.000 1.019 471 A HN 0.445 nan 8.150 nan 0.000 0.490 472 T N 0.792 115.312 114.554 -0.056 0.000 2.929 472 T HA 0.698 5.048 4.350 -0.000 0.000 0.284 472 T C -0.068 174.533 174.700 -0.166 0.000 1.014 472 T CA 0.123 62.130 62.100 -0.154 0.000 1.051 472 T CB 1.734 70.523 68.868 -0.133 0.000 1.028 472 T HN 1.271 nan 8.240 nan 0.000 0.485 473 A N 1.922 124.617 122.820 -0.208 0.000 2.374 473 A HA 0.799 5.119 4.320 -0.000 0.000 0.305 473 A C -0.957 176.560 177.584 -0.111 0.000 1.053 473 A CA -0.801 51.153 52.037 -0.137 0.000 0.726 473 A CB 0.628 19.549 19.000 -0.132 0.000 1.229 473 A HN 0.810 nan 8.150 nan 0.000 0.431 474 I N 1.675 122.213 120.570 -0.054 0.000 2.466 474 I HA 0.606 4.776 4.170 -0.000 0.000 0.289 474 I C 0.264 176.383 176.117 0.003 0.000 1.026 474 I CA -0.368 60.912 61.300 -0.034 0.000 1.078 474 I CB 2.228 40.210 38.000 -0.029 0.000 1.249 474 I HN 0.714 nan 8.210 nan 0.000 0.429 475 A N 6.725 129.546 122.820 0.003 0.000 2.318 475 A HA 0.890 5.209 4.320 -0.000 0.000 0.317 475 A C -0.473 177.120 177.584 0.015 0.000 1.159 475 A CA -0.635 51.414 52.037 0.020 0.000 0.799 475 A CB 0.854 19.860 19.000 0.010 0.000 1.194 475 A HN 0.771 nan 8.150 nan 0.000 0.479 476 R N 0.928 121.443 120.500 0.026 0.000 2.854 476 R HA 0.643 4.982 4.340 -0.000 0.000 0.271 476 R C -0.852 175.465 176.300 0.029 0.000 0.996 476 R CA -0.612 55.502 56.100 0.023 0.000 0.961 476 R CB 1.558 31.872 30.300 0.024 0.000 1.182 476 R HN 0.702 nan 8.270 nan 0.000 0.479 477 c N 0.792 119.408 118.600 0.025 0.000 2.345 477 c HA 0.625 5.195 4.570 -0.000 0.000 0.369 477 c C 1.036 175.142 174.090 0.027 0.000 1.273 477 c CA -0.623 55.724 56.329 0.029 0.000 2.310 477 c CB 0.872 43.399 42.510 0.027 0.000 2.219 477 c HN 0.874 nan 8.230 nan 0.000 0.587 478 A N 1.781 124.617 122.820 0.027 0.000 2.483 478 A HA 0.322 4.642 4.320 -0.000 0.000 0.238 478 A C -1.180 176.415 177.584 0.018 0.000 1.070 478 A CA -0.480 51.570 52.037 0.021 0.000 0.770 478 A CB -0.541 18.470 19.000 0.018 0.000 1.008 478 A HN 0.751 nan 8.150 nan 0.000 0.497 479 P HA -0.225 nan 4.420 nan 0.000 0.220 479 P C 0.350 177.657 177.300 0.011 0.000 1.155 479 P CA 2.110 65.217 63.100 0.012 0.000 0.880 479 P CB -0.003 31.703 31.700 0.008 0.000 0.790 480 D N -2.469 117.937 120.400 0.010 0.000 2.363 480 D HA 0.054 4.693 4.640 -0.000 0.000 0.214 480 D C 0.408 176.718 176.300 0.016 0.000 1.093 480 D CA 0.020 54.026 54.000 0.010 0.000 0.837 480 D CB -0.461 40.341 40.800 0.004 0.000 0.948 480 D HN 0.226 nan 8.370 nan 0.000 0.507 481 E N 0.323 120.535 120.200 0.020 0.000 2.267 481 E HA 0.315 4.665 4.350 -0.000 0.000 0.258 481 E C -0.133 176.483 176.600 0.028 0.000 1.074 481 E CA -0.736 55.681 56.400 0.028 0.000 0.915 481 E CB 1.131 30.851 29.700 0.032 0.000 1.186 481 E HN -0.006 nan 8.360 nan 0.000 0.439 482 E N 1.311 121.531 120.200 0.033 0.000 2.171 482 E HA 0.180 4.530 4.350 -0.000 0.000 0.271 482 E C -0.998 175.620 176.600 0.030 0.000 0.916 482 E CA -0.832 55.585 56.400 0.029 0.000 0.774 482 E CB 1.753 31.471 29.700 0.030 0.000 1.128 482 E HN 0.195 nan 8.360 nan 0.000 0.403 483 L N 4.968 126.206 121.223 0.024 0.000 2.363 483 L HA 0.106 4.445 4.340 -0.000 0.000 0.286 483 L C 0.654 177.537 176.870 0.022 0.000 1.106 483 L CA 0.387 55.241 54.840 0.022 0.000 0.859 483 L CB -0.192 41.876 42.059 0.016 0.000 1.223 483 L HN 0.613 nan 8.230 nan 0.000 0.446 484 L N 2.471 123.709 121.223 0.026 0.000 2.127 484 L HA 0.117 4.457 4.340 -0.000 0.000 0.203 484 L C 1.043 177.926 176.870 0.022 0.000 1.080 484 L CA 0.908 55.764 54.840 0.027 0.000 0.768 484 L CB -0.343 41.736 42.059 0.034 0.000 0.924 484 L HN 0.811 nan 8.230 nan 0.000 0.444 485 S N -2.204 113.508 115.700 0.019 0.000 2.705 485 S HA 0.531 5.001 4.470 -0.000 0.000 0.280 485 S C -1.145 173.456 174.600 0.003 0.000 1.174 485 S CA -0.907 57.301 58.200 0.013 0.000 0.823 485 S CB 2.281 65.491 63.200 0.016 0.000 1.162 485 S HN 0.138 nan 8.310 nan 0.000 0.487 486 c N 1.688 120.287 118.600 -0.002 0.000 3.006 486 c HA 0.902 5.472 4.570 -0.000 0.000 0.359 486 c C -0.499 173.582 174.090 -0.015 0.000 1.103 486 c CA 0.671 56.992 56.329 -0.014 0.000 1.286 486 c CB 0.535 43.041 42.510 -0.005 0.000 1.694 486 c HN 1.738 nan 8.230 nan 0.000 0.511 487 S N 3.284 118.964 115.700 -0.034 0.000 2.790 487 S HA 0.955 5.425 4.470 -0.000 0.000 0.292 487 S C -0.683 173.901 174.600 -0.025 0.000 1.197 487 S CA 0.111 58.301 58.200 -0.016 0.000 0.851 487 S CB 1.381 64.579 63.200 -0.003 0.000 1.217 487 S HN 2.166 nan 8.310 nan 0.000 0.526 488 S N -0.135 115.583 115.700 0.030 0.000 2.685 488 S HA 0.882 5.351 4.470 -0.000 0.000 0.282 488 S C -1.545 173.194 174.600 0.231 0.000 1.159 488 S CA -0.826 57.423 58.200 0.081 0.000 0.833 488 S CB 1.505 64.751 63.200 0.075 0.000 1.151 488 S HN 1.549 nan 8.310 nan 0.000 0.485 489 F N 0.704 120.738 119.950 0.141 0.000 2.604 489 F HA 0.702 5.228 4.527 -0.001 0.000 0.316 489 F C -0.948 175.055 175.800 0.339 0.000 1.136 489 F CA -0.076 58.083 58.000 0.266 0.000 0.989 489 F CB 1.981 41.190 39.000 0.348 0.000 1.258 489 F HN 0.850 nan 8.300 nan 0.000 0.451 490 S N 5.422 120.848 115.700 -0.457 0.000 2.538 490 S HA 0.485 4.955 4.470 -0.000 0.000 0.288 490 S C 0.664 174.900 174.600 -0.607 0.000 1.108 490 S CA -0.775 57.229 58.200 -0.328 0.000 0.971 490 S CB 1.528 64.664 63.200 -0.106 0.000 1.041 490 S HN 0.857 nan 8.310 nan 0.000 0.483 491 R N 1.894 122.222 120.500 -0.286 0.000 2.115 491 R HA -0.036 4.304 4.340 -0.000 0.000 0.230 491 R C 1.834 178.076 176.300 -0.096 0.000 1.111 491 R CA 1.626 57.642 56.100 -0.139 0.000 0.976 491 R CB -0.401 29.958 30.300 0.098 0.000 0.870 491 R HN 0.739 nan 8.270 nan 0.000 0.445 492 S N -1.145 114.505 115.700 -0.084 0.000 2.548 492 S HA 0.196 4.666 4.470 -0.000 0.000 0.215 492 S C 1.497 176.017 174.600 -0.133 0.000 0.976 492 S CA 0.303 58.450 58.200 -0.089 0.000 0.908 492 S CB 0.877 64.036 63.200 -0.068 0.000 0.781 492 S HN 0.510 nan 8.310 nan 0.000 0.519 493 G N 1.322 110.068 108.800 -0.089 0.000 2.347 493 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.247 493 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.247 493 G C 0.077 175.123 174.900 0.244 0.000 1.037 493 G CA 0.240 45.377 45.100 0.062 0.000 0.622 493 G HN 0.544 nan 8.290 nan 0.000 0.521 494 K N 1.982 122.432 120.400 0.083 0.000 2.250 494 K HA 0.419 4.739 4.320 -0.000 0.000 0.277 494 K C 0.864 177.515 176.600 0.085 0.000 1.091 494 K CA 0.590 56.948 56.287 0.118 0.000 1.046 494 K CB 0.027 32.557 32.500 0.051 0.000 0.982 494 K HN 0.837 nan 8.250 nan 0.000 0.429 495 R N 1.182 121.745 120.500 0.105 0.000 2.764 495 R HA 0.596 4.936 4.340 -0.000 0.000 0.270 495 R C -0.750 175.594 176.300 0.073 0.000 1.014 495 R CA -1.227 54.916 56.100 0.072 0.000 0.904 495 R CB 1.666 31.999 30.300 0.056 0.000 1.236 495 R HN 0.169 nan 8.270 nan 0.000 0.466 496 R N -0.427 120.123 120.500 0.083 0.000 2.764 496 R HA 0.378 4.717 4.340 -0.000 0.000 0.270 496 R C -0.396 175.982 176.300 0.129 0.000 1.014 496 R CA -0.246 55.901 56.100 0.079 0.000 0.904 496 R CB 1.947 32.282 30.300 0.057 0.000 1.236 496 R HN 1.013 nan 8.270 nan 0.000 0.466 497 G N 1.627 110.483 108.800 0.094 0.000 2.341 497 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.292 497 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.292 497 G C 0.124 175.152 174.900 0.214 0.000 1.021 497 G CA 1.092 46.277 45.100 0.141 0.000 0.905 497 G HN 0.625 nan 8.290 nan 0.000 0.508 498 E N 0.291 120.560 120.200 0.114 0.000 2.351 498 E HA 0.384 4.734 4.350 -0.000 0.000 0.266 498 E C 0.904 177.541 176.600 0.061 0.000 1.031 498 E CA -0.089 56.355 56.400 0.073 0.000 0.911 498 E CB 0.230 29.958 29.700 0.046 0.000 0.986 498 E HN 0.775 nan 8.360 nan 0.000 0.446 499 R N 3.353 123.885 120.500 0.054 0.000 2.712 499 R HA 0.343 4.683 4.340 -0.000 0.000 0.272 499 R C -1.298 175.020 176.300 0.030 0.000 1.032 499 R CA -0.973 55.154 56.100 0.046 0.000 0.874 499 R CB 0.844 31.184 30.300 0.066 0.000 1.256 499 R HN 0.454 nan 8.270 nan 0.000 0.468 500 M N 1.260 120.875 119.600 0.025 0.000 2.318 500 M HA 0.325 4.805 4.480 -0.000 0.000 0.347 500 M C -0.900 175.413 176.300 0.022 0.000 1.175 500 M CA -0.096 55.215 55.300 0.018 0.000 1.075 500 M CB 1.586 34.196 32.600 0.015 0.000 1.614 500 M HN 0.745 nan 8.290 nan 0.000 0.456 501 E N 2.583 122.794 120.200 0.018 0.000 2.256 501 E HA 0.537 4.887 4.350 -0.000 0.000 0.268 501 E C -1.552 175.057 176.600 0.016 0.000 0.877 501 E CA -0.700 55.712 56.400 0.020 0.000 0.757 501 E CB 1.802 31.517 29.700 0.024 0.000 1.183 501 E HN 0.785 nan 8.360 nan 0.000 0.418 502 A N 4.841 127.670 122.820 0.015 0.000 2.671 502 A HA 0.123 4.443 4.320 -0.000 0.000 0.306 502 A C -0.087 177.504 177.584 0.013 0.000 1.473 502 A CA -0.122 51.922 52.037 0.013 0.000 1.155 502 A CB -0.037 18.970 19.000 0.012 0.000 1.123 502 A HN 0.612 nan 8.150 nan 0.000 0.545 503 Q N 2.204 122.011 119.800 0.012 0.000 2.465 503 Q HA 0.443 4.783 4.340 -0.000 0.000 0.237 503 Q C 0.785 176.792 176.000 0.010 0.000 1.051 503 Q CA 0.434 56.244 55.803 0.012 0.000 0.874 503 Q CB 0.251 28.995 28.738 0.011 0.000 1.207 503 Q HN 1.356 nan 8.270 nan 0.000 0.508 504 G N 2.758 111.564 108.800 0.010 0.000 2.272 504 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.280 504 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.280 504 G C 0.720 175.625 174.900 0.008 0.000 1.067 504 G CA 0.281 45.386 45.100 0.009 0.000 0.902 504 G HN 1.414 nan 8.290 nan 0.000 0.500 505 G N -0.988 107.817 108.800 0.008 0.000 2.383 505 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.229 505 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.229 505 G C 0.622 175.527 174.900 0.009 0.000 1.089 505 G CA 1.127 46.231 45.100 0.008 0.000 0.640 505 G HN 1.591 nan 8.290 nan 0.000 0.510 506 K N 0.798 121.204 120.400 0.010 0.000 2.118 506 K HA 0.709 5.029 4.320 -0.000 0.000 0.267 506 K C -0.051 176.556 176.600 0.011 0.000 0.991 506 K CA -0.815 55.478 56.287 0.011 0.000 0.916 506 K CB 0.626 33.133 32.500 0.011 0.000 1.041 506 K HN 0.089 nan 8.250 nan 0.000 0.455 507 L N 4.079 125.310 121.223 0.012 0.000 2.326 507 L HA 0.399 4.739 4.340 -0.000 0.000 0.278 507 L C -0.468 176.409 176.870 0.011 0.000 1.092 507 L CA -0.367 54.480 54.840 0.012 0.000 0.810 507 L CB 1.068 43.135 42.059 0.013 0.000 1.153 507 L HN 0.535 nan 8.230 nan 0.000 0.439 508 V N 0.324 120.244 119.914 0.010 0.000 2.960 508 V HA 0.682 4.802 4.120 -0.000 0.000 0.315 508 V C -0.595 175.500 176.094 0.002 0.000 1.087 508 V CA -1.020 61.284 62.300 0.006 0.000 0.982 508 V CB 1.776 33.602 31.823 0.005 0.000 1.039 508 V HN 0.866 nan 8.190 nan 0.000 0.437 509 c N 3.911 122.508 118.600 -0.005 0.000 2.322 509 c HA 0.825 5.395 4.570 -0.000 0.000 0.324 509 c C -0.116 173.957 174.090 -0.028 0.000 1.284 509 c CA -0.310 56.011 56.329 -0.012 0.000 1.606 509 c CB 0.451 42.951 42.510 -0.017 0.000 2.251 509 c HN 1.179 nan 8.230 nan 0.000 0.502 510 R N 4.025 124.503 120.500 -0.035 0.000 2.686 510 R HA 0.798 5.138 4.340 -0.000 0.000 0.286 510 R C -1.105 175.121 176.300 -0.123 0.000 0.969 510 R CA -0.189 55.855 56.100 -0.093 0.000 0.898 510 R CB 1.935 32.186 30.300 -0.082 0.000 1.183 510 R HN 0.934 nan 8.270 nan 0.000 0.456 511 A N 3.030 125.702 122.820 -0.246 0.000 2.556 511 A HA 0.605 4.925 4.320 -0.000 0.000 0.294 511 A C -1.620 175.705 177.584 -0.433 0.000 1.091 511 A CA -0.714 51.199 52.037 -0.206 0.000 0.704 511 A CB 1.553 20.515 19.000 -0.063 0.000 1.300 511 A HN 0.828 nan 8.150 nan 0.000 0.406 512 H N 0.598 119.658 119.070 -0.017 0.000 2.747 512 H HA 0.352 4.908 4.556 -0.000 0.000 0.371 512 H C -0.975 174.334 175.328 -0.031 0.000 1.161 512 H CA -0.828 55.204 56.048 -0.026 0.000 1.167 512 H CB 1.941 31.696 29.762 -0.011 0.000 1.732 512 H HN 0.691 nan 8.280 nan 0.000 0.544 513 N N 0.649 119.389 118.700 0.067 0.000 2.458 513 N HA 0.275 5.015 4.740 -0.000 0.000 0.270 513 N C -0.274 175.267 175.510 0.051 0.000 1.102 513 N CA -0.179 52.880 53.050 0.014 0.000 0.967 513 N CB 0.917 39.378 38.487 -0.042 0.000 1.078 513 N HN 0.713 nan 8.380 nan 0.000 0.471 514 A N 3.383 126.235 122.820 0.052 0.000 2.275 514 A HA 0.220 4.540 4.320 -0.000 0.000 0.282 514 A C 1.088 178.731 177.584 0.098 0.000 1.275 514 A CA -0.404 51.687 52.037 0.089 0.000 0.842 514 A CB -0.337 18.727 19.000 0.106 0.000 1.280 514 A HN 0.805 nan 8.150 nan 0.000 0.508 515 F N -0.024 119.933 119.950 0.012 0.000 2.102 515 F HA -0.001 4.526 4.527 0.001 0.000 0.298 515 F C 1.985 177.788 175.800 0.004 0.000 1.105 515 F CA 2.442 60.446 58.000 0.007 0.000 1.239 515 F CB -0.310 38.694 39.000 0.006 0.000 0.991 515 F HN 0.430 nan 8.300 nan 0.000 0.474 516 G N -0.211 108.465 108.800 -0.206 0.000 3.042 516 G HA2 0.227 4.187 3.960 -0.000 0.000 0.212 516 G HA3 0.227 4.187 3.960 -0.000 0.000 0.212 516 G C 0.774 175.561 174.900 -0.190 0.000 1.166 516 G CA 0.273 45.181 45.100 -0.320 0.000 0.767 516 G HN 0.641 nan 8.290 nan 0.000 0.546 517 G N -0.319 108.409 108.800 -0.120 0.000 2.539 517 G HA2 0.421 4.381 3.960 -0.000 0.000 0.258 517 G HA3 0.421 4.381 3.960 -0.000 0.000 0.258 517 G C 0.366 175.223 174.900 -0.071 0.000 1.202 517 G CA -0.361 44.696 45.100 -0.072 0.000 0.851 517 G HN 0.094 nan 8.290 nan 0.000 0.556 518 E N -0.060 120.125 120.200 -0.024 0.000 2.476 518 E HA 0.278 4.627 4.350 -0.000 0.000 0.196 518 E C 0.988 177.642 176.600 0.090 0.000 1.029 518 E CA 0.626 57.041 56.400 0.025 0.000 0.896 518 E CB 0.710 30.439 29.700 0.048 0.000 1.012 518 E HN 0.904 nan 8.360 nan 0.000 0.475 519 G N 0.210 108.986 108.800 -0.040 0.000 2.334 519 G HA2 0.074 4.034 3.960 -0.000 0.000 0.566 519 G HA3 0.074 4.034 3.960 -0.000 0.000 0.566 519 G C -0.805 173.894 174.900 -0.335 0.000 1.413 519 G CA -0.478 44.434 45.100 -0.315 0.000 0.993 519 G HN 0.187 nan 8.290 nan 0.000 0.642 520 V N -2.036 117.592 119.914 -0.477 0.000 3.102 520 V HA 0.931 5.051 4.120 -0.000 0.000 0.312 520 V C -0.892 174.984 176.094 -0.363 0.000 1.135 520 V CA -1.648 60.505 62.300 -0.245 0.000 1.022 520 V CB 1.840 33.611 31.823 -0.086 0.000 1.056 520 V HN 1.105 nan 8.190 nan 0.000 0.436 521 Y N 0.892 121.264 120.300 0.121 0.000 2.364 521 Y HA 0.818 5.367 4.550 -0.002 0.000 0.340 521 Y C 0.618 176.541 175.900 0.038 0.000 0.975 521 Y CA -0.192 58.005 58.100 0.161 0.000 1.089 521 Y CB 1.982 40.696 38.460 0.423 0.000 1.192 521 Y HN 1.053 nan 8.280 nan 0.000 0.454 522 A N 4.393 127.281 122.820 0.114 0.000 2.327 522 A HA 0.764 5.084 4.320 -0.000 0.000 0.283 522 A C -0.705 176.845 177.584 -0.056 0.000 1.127 522 A CA -0.436 51.607 52.037 0.010 0.000 0.810 522 A CB 0.051 19.036 19.000 -0.025 0.000 1.066 522 A HN 0.759 nan 8.150 nan 0.000 0.492 523 I N 1.691 122.165 120.570 -0.159 0.000 2.447 523 I HA 0.520 4.690 4.170 -0.000 0.000 0.287 523 I C 0.350 176.361 176.117 -0.177 0.000 1.023 523 I CA -0.284 60.821 61.300 -0.324 0.000 1.083 523 I CB 1.963 39.586 38.000 -0.628 0.000 1.245 523 I HN 0.681 nan 8.210 nan 0.000 0.434 524 A N 5.207 127.951 122.820 -0.127 0.000 2.312 524 A HA 0.822 5.141 4.320 -0.000 0.000 0.326 524 A C -0.354 177.208 177.584 -0.037 0.000 1.172 524 A CA -0.582 51.423 52.037 -0.054 0.000 0.821 524 A CB 1.099 20.089 19.000 -0.017 0.000 1.166 524 A HN 0.665 nan 8.150 nan 0.000 0.493 525 R N 1.480 121.975 120.500 -0.009 0.000 2.272 525 R HA 0.489 4.829 4.340 -0.000 0.000 0.323 525 R C -1.629 174.690 176.300 0.032 0.000 1.002 525 R CA -0.151 55.960 56.100 0.018 0.000 0.900 525 R CB -0.110 30.203 30.300 0.022 0.000 1.151 525 R HN 0.688 nan 8.270 nan 0.000 0.507 526 c N 3.860 122.486 118.600 0.044 0.000 2.319 526 c HA 0.678 5.248 4.570 -0.000 0.000 0.335 526 c C -0.226 173.902 174.090 0.064 0.000 1.274 526 c CA -0.581 55.777 56.329 0.047 0.000 1.806 526 c CB 0.085 42.623 42.510 0.045 0.000 2.329 526 c HN 0.808 nan 8.230 nan 0.000 0.524 527 c N 3.151 121.788 118.600 0.062 0.000 2.898 527 c HA 0.683 5.253 4.570 -0.000 0.000 0.304 527 c C -0.602 173.538 174.090 0.084 0.000 1.237 527 c CA -0.755 55.623 56.329 0.081 0.000 1.529 527 c CB 0.938 43.488 42.510 0.068 0.000 2.021 527 c HN 0.796 nan 8.230 nan 0.000 0.474 528 L N 2.466 123.764 121.223 0.124 0.000 2.313 528 L HA 0.556 4.896 4.340 -0.000 0.000 0.283 528 L C -0.493 176.449 176.870 0.120 0.000 1.013 528 L CA -0.325 54.591 54.840 0.126 0.000 0.816 528 L CB 0.923 43.084 42.059 0.170 0.000 1.236 528 L HN 0.506 nan 8.230 nan 0.000 0.419 529 L N 4.437 125.708 121.223 0.079 0.000 2.395 529 L HA 0.284 4.624 4.340 -0.000 0.000 0.269 529 L C -1.112 175.805 176.870 0.079 0.000 1.133 529 L CA -1.634 53.241 54.840 0.058 0.000 0.812 529 L CB 0.344 42.426 42.059 0.038 0.000 1.125 529 L HN 0.401 nan 8.230 nan 0.000 0.452 530 P HA -0.243 nan 4.420 nan 0.000 0.229 530 P C -0.015 177.372 177.300 0.145 0.000 1.147 530 P CA 1.660 64.827 63.100 0.111 0.000 0.949 530 P CB 0.174 31.910 31.700 0.059 0.000 0.786 603 A N 3.869 126.721 122.820 0.054 0.000 2.466 603 A HA 0.418 4.738 4.320 -0.000 0.000 0.238 603 A C -1.460 176.154 177.584 0.050 0.000 1.074 603 A CA -0.540 51.541 52.037 0.074 0.000 0.774 603 A CB -0.065 18.947 19.000 0.020 0.000 1.015 603 A HN 0.321 nan 8.150 nan 0.000 0.498 604 P HA 0.499 nan 4.420 nan 0.000 0.278 604 P C 0.337 177.643 177.300 0.010 0.000 1.258 604 P CA -0.028 63.088 63.100 0.025 0.000 0.811 604 P CB 1.012 32.725 31.700 0.021 0.000 1.063 605 G N -0.136 108.663 108.800 -0.002 0.000 2.641 605 G HA2 0.662 4.622 3.960 -0.000 0.000 0.239 605 G HA3 0.662 4.622 3.960 -0.000 0.000 0.239 605 G C -1.047 173.841 174.900 -0.020 0.000 1.402 605 G CA -0.807 44.289 45.100 -0.006 0.000 1.046 605 G HN 0.454 nan 8.290 nan 0.000 0.565 606 L N -0.371 120.842 121.223 -0.016 0.000 2.371 606 L HA 0.473 4.813 4.340 -0.000 0.000 0.262 606 L C -0.671 176.195 176.870 -0.007 0.000 1.006 606 L CA -0.875 53.949 54.840 -0.028 0.000 0.818 606 L CB 2.562 44.615 42.059 -0.010 0.000 1.354 606 L HN 0.816 nan 8.230 nan 0.000 0.415 607 E N 0.767 120.957 120.200 -0.016 0.000 2.212 607 E HA 0.691 5.040 4.350 -0.000 0.000 0.268 607 E C -1.596 175.118 176.600 0.189 0.000 0.902 607 E CA -0.733 55.708 56.400 0.068 0.000 0.779 607 E CB 2.120 31.866 29.700 0.076 0.000 1.172 607 E HN 0.408 nan 8.360 nan 0.000 0.409 608 c N 2.071 120.804 118.600 0.222 0.000 2.626 608 c HA 0.602 5.172 4.570 -0.000 0.000 0.310 608 c C -0.445 173.754 174.090 0.183 0.000 1.191 608 c CA -0.766 55.721 56.329 0.264 0.000 1.517 608 c CB 1.227 43.825 42.510 0.146 0.000 2.102 608 c HN 0.791 nan 8.230 nan 0.000 0.479 609 K N 0.866 121.327 120.400 0.100 0.000 2.400 609 K HA 0.826 5.145 4.320 -0.000 0.000 0.246 609 K C -1.515 175.050 176.600 -0.058 0.000 0.995 609 K CA -0.662 55.596 56.287 -0.047 0.000 0.840 609 K CB 2.075 34.432 32.500 -0.239 0.000 1.293 609 K HN 0.376 nan 8.250 nan 0.000 0.445 610 V N 2.086 121.962 119.914 -0.063 0.000 2.384 610 V HA 0.326 4.446 4.120 -0.000 0.000 0.287 610 V C -0.609 175.441 176.094 -0.074 0.000 1.020 610 V CA -0.814 61.455 62.300 -0.051 0.000 0.850 610 V CB 1.277 33.085 31.823 -0.025 0.000 0.987 610 V HN 0.595 nan 8.190 nan 0.000 0.436 611 K N 3.788 124.145 120.400 -0.073 0.000 2.221 611 K HA 0.674 4.994 4.320 -0.000 0.000 0.258 611 K C -0.710 175.876 176.600 -0.023 0.000 0.944 611 K CA -0.635 55.614 56.287 -0.065 0.000 0.823 611 K CB 2.368 34.815 32.500 -0.090 0.000 1.113 611 K HN 0.675 nan 8.250 nan 0.000 0.431 612 E N 1.270 121.467 120.200 -0.005 0.000 2.288 612 E HA 0.262 4.612 4.350 -0.000 0.000 0.268 612 E C -1.355 175.287 176.600 0.071 0.000 0.885 612 E CA -0.773 55.638 56.400 0.018 0.000 0.767 612 E CB 2.071 31.767 29.700 -0.007 0.000 1.220 612 E HN 0.419 nan 8.360 nan 0.000 0.427 613 H N 0.895 119.948 119.070 -0.029 0.000 3.018 613 H HA 0.407 4.963 4.556 -0.000 0.000 0.334 613 H C -1.322 173.995 175.328 -0.018 0.000 0.983 613 H CA -0.395 55.639 56.048 -0.024 0.000 1.363 613 H CB 1.547 31.294 29.762 -0.024 0.000 1.668 613 H HN 0.732 nan 8.280 nan 0.000 0.513 614 G N 4.970 113.599 108.800 -0.286 0.000 2.461 614 G HA2 0.547 4.506 3.960 -0.000 0.000 0.323 614 G HA3 0.547 4.506 3.960 -0.000 0.000 0.323 614 G C -0.754 174.026 174.900 -0.200 0.000 1.229 614 G CA -0.583 44.423 45.100 -0.156 0.000 0.941 614 G HN 0.539 nan 8.290 nan 0.000 0.477 615 I N 3.230 123.763 120.570 -0.062 0.000 2.406 615 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 615 I C -1.719 174.387 176.117 -0.017 0.000 0.999 615 I CA -2.141 59.141 61.300 -0.030 0.000 1.124 615 I CB 2.861 40.885 38.000 0.039 0.000 1.289 615 I HN 0.317 nan 8.210 nan 0.000 0.441 616 P HA -0.103 nan 4.420 nan 0.000 0.198 616 P C 0.093 177.394 177.300 0.002 0.000 1.043 616 P CA 0.486 63.579 63.100 -0.012 0.000 0.892 616 P CB 0.085 31.777 31.700 -0.013 0.000 0.701 617 A N 1.252 124.076 122.820 0.006 0.000 2.476 617 A HA 0.278 4.598 4.320 -0.000 0.000 0.275 617 A C -1.885 175.712 177.584 0.021 0.000 1.133 617 A CA -0.738 51.307 52.037 0.014 0.000 0.797 617 A CB -1.327 17.680 19.000 0.013 0.000 1.081 617 A HN 0.197 nan 8.150 nan 0.000 0.510 618 P HA 0.497 nan 4.420 nan 0.000 0.278 618 P C -0.528 176.794 177.300 0.038 0.000 1.266 618 P CA -0.243 62.878 63.100 0.034 0.000 0.807 618 P CB 0.943 32.665 31.700 0.037 0.000 1.094 619 Q N -0.563 119.264 119.800 0.044 0.000 3.353 619 Q HA 0.316 4.656 4.340 -0.000 0.000 0.302 619 Q C 1.235 177.268 176.000 0.055 0.000 0.991 619 Q CA -0.456 55.374 55.803 0.045 0.000 0.827 619 Q CB 0.026 28.790 28.738 0.042 0.000 1.694 619 Q HN 0.332 nan 8.270 nan 0.000 0.458 620 E N -0.083 120.152 120.200 0.059 0.000 2.358 620 E HA -0.044 4.306 4.350 -0.000 0.000 0.195 620 E C -0.299 176.350 176.600 0.081 0.000 1.010 620 E CA 0.510 56.956 56.400 0.076 0.000 0.856 620 E CB 0.461 30.207 29.700 0.077 0.000 0.795 620 E HN 0.194 nan 8.360 nan 0.000 0.504 621 Q N 0.184 120.020 119.800 0.060 0.000 2.284 621 Q HA 0.352 4.691 4.340 -0.000 0.000 0.269 621 Q C -1.957 174.064 176.000 0.035 0.000 1.026 621 Q CA -0.495 55.336 55.803 0.045 0.000 0.831 621 Q CB 2.429 31.191 28.738 0.039 0.000 1.322 621 Q HN -0.095 nan 8.270 nan 0.000 0.419 622 V N 2.520 122.448 119.914 0.024 0.000 2.483 622 V HA 0.642 4.762 4.120 -0.000 0.000 0.297 622 V C -0.299 175.792 176.094 -0.005 0.000 1.027 622 V CA -0.524 61.798 62.300 0.038 0.000 0.855 622 V CB 1.685 33.549 31.823 0.069 0.000 0.995 622 V HN 0.901 nan 8.190 nan 0.000 0.424 623 T N 1.575 116.103 114.554 -0.042 0.000 2.907 623 T HA 0.840 5.190 4.350 -0.000 0.000 0.292 623 T C -1.145 173.466 174.700 -0.149 0.000 1.043 623 T CA -0.890 61.159 62.100 -0.086 0.000 1.003 623 T CB 2.050 70.866 68.868 -0.086 0.000 1.084 623 T HN 0.670 nan 8.240 nan 0.000 0.483 624 V N 0.877 120.734 119.914 -0.096 0.000 2.808 624 V HA 0.847 4.967 4.120 -0.000 0.000 0.308 624 V C -0.857 175.200 176.094 -0.061 0.000 1.099 624 V CA -0.437 61.806 62.300 -0.095 0.000 0.920 624 V CB 1.541 33.353 31.823 -0.018 0.000 1.014 624 V HN 1.542 nan 8.190 nan 0.000 0.425 625 A N 4.950 127.732 122.820 -0.062 0.000 2.356 625 A HA 0.800 5.120 4.320 -0.000 0.000 0.323 625 A C -0.021 177.543 177.584 -0.033 0.000 1.119 625 A CA -0.449 51.569 52.037 -0.032 0.000 0.790 625 A CB 1.306 20.292 19.000 -0.024 0.000 1.273 625 A HN 1.031 nan 8.150 nan 0.000 0.452 626 c N 0.507 119.105 118.600 -0.004 0.000 2.563 626 c HA 0.383 4.953 4.570 -0.000 0.000 0.358 626 c C 1.018 175.113 174.090 0.007 0.000 1.336 626 c CA -0.302 56.020 56.329 -0.011 0.000 2.454 626 c CB -0.328 42.236 42.510 0.091 0.000 2.448 626 c HN 0.921 nan 8.230 nan 0.000 0.670 627 E N 0.174 120.360 120.200 -0.025 0.000 2.342 627 E HA 0.167 4.517 4.350 -0.000 0.000 0.257 627 E C -0.085 176.642 176.600 0.212 0.000 1.150 627 E CA -0.370 56.063 56.400 0.056 0.000 0.926 627 E CB 0.364 30.054 29.700 -0.016 0.000 1.074 627 E HN 0.632 nan 8.360 nan 0.000 0.449 628 E N 0.128 120.432 120.200 0.174 0.000 2.558 628 E HA -0.043 4.307 4.350 -0.000 0.000 0.255 628 E C 0.391 177.116 176.600 0.208 0.000 0.968 628 E CA 0.864 57.360 56.400 0.159 0.000 0.939 628 E CB -0.029 29.736 29.700 0.108 0.000 0.921 628 E HN 0.720 nan 8.360 nan 0.000 0.477 629 G N 3.636 112.514 108.800 0.129 0.000 2.179 629 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 629 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 629 G C -0.585 174.256 174.900 -0.097 0.000 0.977 629 G CA 0.211 45.312 45.100 0.002 0.000 0.641 629 G HN 0.522 nan 8.290 nan 0.000 0.533 630 W N 0.425 121.716 121.300 -0.016 0.000 2.551 630 W HA 0.681 5.341 4.660 -0.001 0.000 0.330 630 W C 0.322 176.832 176.519 -0.015 0.000 1.063 630 W CA -0.386 56.947 57.345 -0.020 0.000 1.222 630 W CB 1.627 31.082 29.460 -0.009 0.000 1.349 630 W HN 0.063 nan 8.180 nan 0.000 0.536 631 T N 3.635 118.301 114.554 0.187 0.000 2.823 631 T HA 0.366 4.716 4.350 -0.000 0.000 0.279 631 T C -0.991 173.793 174.700 0.140 0.000 0.998 631 T CA -0.701 61.467 62.100 0.113 0.000 0.994 631 T CB 1.079 69.953 68.868 0.010 0.000 0.960 631 T HN 0.222 nan 8.240 nan 0.000 0.448 632 L N 4.284 125.576 121.223 0.115 0.000 2.315 632 L HA 0.366 4.706 4.340 -0.000 0.000 0.283 632 L C 1.338 178.257 176.870 0.081 0.000 1.089 632 L CA 0.546 55.443 54.840 0.095 0.000 0.833 632 L CB 0.398 42.504 42.059 0.079 0.000 1.170 632 L HN 0.896 nan 8.230 nan 0.000 0.442 633 T N 0.557 115.155 114.554 0.075 0.000 2.990 633 T HA 0.468 4.818 4.350 -0.000 0.000 0.250 633 T C 0.611 175.339 174.700 0.047 0.000 1.041 633 T CA 0.293 62.430 62.100 0.061 0.000 1.010 633 T CB 0.176 69.082 68.868 0.062 0.000 1.003 633 T HN 0.696 nan 8.240 nan 0.000 0.499 634 G N -0.264 108.561 108.800 0.042 0.000 2.731 634 G HA2 0.512 4.472 3.960 -0.000 0.000 0.298 634 G HA3 0.512 4.472 3.960 -0.000 0.000 0.298 634 G C -1.627 173.285 174.900 0.021 0.000 1.424 634 G CA -0.655 44.462 45.100 0.028 0.000 1.029 634 G HN 0.371 nan 8.290 nan 0.000 0.518 635 c N 2.970 121.578 118.600 0.013 0.000 2.571 635 c HA 0.848 5.418 4.570 -0.000 0.000 0.343 635 c C 0.140 174.230 174.090 -0.001 0.000 1.082 635 c CA -0.244 56.086 56.329 0.003 0.000 1.339 635 c CB -0.354 42.157 42.510 0.000 0.000 1.893 635 c HN 1.111 nan 8.230 nan 0.000 0.445 636 S N 4.218 119.918 115.700 -0.001 0.000 2.709 636 S HA 0.970 5.440 4.470 -0.000 0.000 0.302 636 S C -0.467 174.133 174.600 0.000 0.000 1.127 636 S CA -0.337 57.865 58.200 0.003 0.000 0.905 636 S CB 1.829 65.032 63.200 0.005 0.000 1.151 636 S HN 1.669 nan 8.310 nan 0.000 0.510 637 A N 0.502 123.324 122.820 0.004 0.000 2.384 637 A HA 0.811 5.131 4.320 -0.000 0.000 0.312 637 A C -0.776 176.807 177.584 -0.001 0.000 1.113 637 A CA -0.983 51.056 52.037 0.003 0.000 0.779 637 A CB 0.801 19.806 19.000 0.010 0.000 1.307 637 A HN 0.829 nan 8.150 nan 0.000 0.436 638 L N 2.001 123.222 121.223 -0.003 0.000 2.343 638 L HA 0.356 4.696 4.340 -0.000 0.000 0.275 638 L C -1.002 175.861 176.870 -0.012 0.000 1.056 638 L CA -1.857 52.978 54.840 -0.008 0.000 0.804 638 L CB 1.228 43.282 42.059 -0.008 0.000 1.203 638 L HN 0.650 nan 8.230 nan 0.000 0.440 639 P HA -0.177 nan 4.420 nan 0.000 0.209 639 P C 0.665 177.951 177.300 -0.022 0.000 1.167 639 P CA 1.453 64.535 63.100 -0.029 0.000 0.941 639 P CB -0.084 31.600 31.700 -0.027 0.000 0.787 640 G N -1.547 107.245 108.800 -0.014 0.000 2.796 640 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.226 640 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.226 640 G C 0.597 175.495 174.900 -0.003 0.000 1.381 640 G CA 0.497 45.593 45.100 -0.006 0.000 0.867 640 G HN 0.542 nan 8.290 nan 0.000 0.552 641 T N -2.145 112.412 114.554 0.005 0.000 3.219 641 T HA 0.533 4.883 4.350 -0.000 0.000 0.249 641 T C 0.884 175.598 174.700 0.025 0.000 1.099 641 T CA 1.191 63.298 62.100 0.012 0.000 0.988 641 T CB -0.400 68.475 68.868 0.011 0.000 0.999 641 T HN 2.105 nan 8.240 nan 0.000 0.550 642 S N -0.212 115.505 115.700 0.029 0.000 2.564 642 S HA 0.458 4.927 4.470 -0.000 0.000 0.274 642 S C -1.046 173.595 174.600 0.068 0.000 1.124 642 S CA -1.008 57.227 58.200 0.058 0.000 0.869 642 S CB 1.145 64.381 63.200 0.060 0.000 1.105 642 S HN 0.409 nan 8.310 nan 0.000 0.472 643 H N 0.891 119.974 119.070 0.021 0.000 2.929 643 H HA 0.448 5.004 4.556 0.000 0.000 0.317 643 H C -0.448 174.896 175.328 0.026 0.000 1.031 643 H CA 0.340 56.401 56.048 0.021 0.000 1.466 643 H CB 0.502 30.275 29.762 0.019 0.000 1.482 643 H HN 0.541 nan 8.280 nan 0.000 0.561 644 V N 7.985 127.909 119.914 0.017 0.000 2.432 644 V HA -0.018 4.102 4.120 -0.000 0.000 0.275 644 V C 1.249 177.432 176.094 0.148 0.000 1.043 644 V CA -0.167 62.179 62.300 0.077 0.000 0.925 644 V CB 1.197 33.030 31.823 0.017 0.000 0.985 644 V HN 0.829 nan 8.190 nan 0.000 0.466 645 L N 3.837 125.149 121.223 0.150 0.000 2.072 645 L HA 0.349 4.689 4.340 -0.000 0.000 0.205 645 L C 1.149 178.044 176.870 0.043 0.000 1.079 645 L CA 1.355 56.224 54.840 0.047 0.000 0.752 645 L CB -0.245 41.833 42.059 0.031 0.000 0.906 645 L HN 0.865 nan 8.230 nan 0.000 0.436 646 G N -1.411 107.546 108.800 0.261 0.000 2.328 646 G HA2 0.558 4.518 3.960 -0.000 0.000 0.295 646 G HA3 0.558 4.518 3.960 -0.000 0.000 0.295 646 G C -2.218 172.863 174.900 0.302 0.000 1.413 646 G CA -0.051 45.273 45.100 0.372 0.000 0.817 646 G HN 0.114 nan 8.290 nan 0.000 0.546 647 A N -0.261 122.691 122.820 0.220 0.000 2.381 647 A HA 0.930 5.249 4.320 -0.000 0.000 0.299 647 A C -1.023 176.600 177.584 0.064 0.000 1.049 647 A CA -0.605 51.453 52.037 0.036 0.000 0.715 647 A CB 0.960 19.966 19.000 0.010 0.000 1.222 647 A HN 2.085 nan 8.150 nan 0.000 0.428 648 Y N -0.709 119.603 120.300 0.021 0.000 2.588 648 Y HA 0.835 5.386 4.550 0.000 0.000 0.343 648 Y C -0.098 175.815 175.900 0.021 0.000 1.065 648 Y CA -1.211 56.867 58.100 -0.036 0.000 1.038 648 Y CB 1.225 39.639 38.460 -0.077 0.000 1.297 648 Y HN 0.920 nan 8.280 nan 0.000 0.467 649 A N 1.421 124.363 122.820 0.203 0.000 2.301 649 A HA 0.721 5.041 4.320 -0.000 0.000 0.298 649 A C -1.273 176.463 177.584 0.252 0.000 1.185 649 A CA -0.720 51.410 52.037 0.156 0.000 0.830 649 A CB 0.597 19.660 19.000 0.105 0.000 1.112 649 A HN 0.713 nan 8.150 nan 0.000 0.508 650 V N 3.848 123.881 119.914 0.199 0.000 2.349 650 V HA 0.350 4.470 4.120 -0.000 0.000 0.284 650 V C 0.478 176.649 176.094 0.128 0.000 1.014 650 V CA 0.166 62.583 62.300 0.195 0.000 0.826 650 V CB 0.465 32.412 31.823 0.207 0.000 1.009 650 V HN 1.259 nan 8.190 nan 0.000 0.431 651 D N 4.652 125.127 120.400 0.124 0.000 4.072 651 D HA -0.296 4.344 4.640 -0.000 0.000 0.146 651 D C 0.773 177.135 176.300 0.104 0.000 0.777 651 D CA 2.361 56.425 54.000 0.107 0.000 1.099 651 D CB -0.466 40.381 40.800 0.079 0.000 0.497 651 D HN 0.546 nan 8.370 nan 0.000 0.483 652 N N -0.238 118.514 118.700 0.087 0.000 2.273 652 N HA 0.205 4.945 4.740 -0.000 0.000 0.231 652 N C -0.891 174.653 175.510 0.055 0.000 1.134 652 N CA 0.309 53.408 53.050 0.082 0.000 0.856 652 N CB 0.760 39.303 38.487 0.094 0.000 1.068 652 N HN 0.251 nan 8.380 nan 0.000 0.510 653 T N 0.420 115.004 114.554 0.049 0.000 2.792 653 T HA 0.179 4.529 4.350 -0.000 0.000 0.280 653 T C -0.176 174.531 174.700 0.011 0.000 0.990 653 T CA -0.441 61.671 62.100 0.020 0.000 0.960 653 T CB 1.862 70.738 68.868 0.013 0.000 0.939 653 T HN 0.093 nan 8.240 nan 0.000 0.439 654 c N 4.936 123.527 118.600 -0.015 0.000 2.499 654 c HA 0.631 5.200 4.570 -0.000 0.000 0.386 654 c C 0.017 174.049 174.090 -0.097 0.000 1.293 654 c CA -0.200 56.104 56.329 -0.042 0.000 1.884 654 c CB -1.440 41.053 42.510 -0.029 0.000 2.509 654 c HN 0.709 nan 8.230 nan 0.000 0.566 655 V N 7.386 127.177 119.914 -0.205 0.000 2.448 655 V HA 0.471 4.591 4.120 -0.000 0.000 0.295 655 V C -0.211 175.652 176.094 -0.385 0.000 1.025 655 V CA -0.420 61.688 62.300 -0.320 0.000 0.859 655 V CB 1.637 33.179 31.823 -0.468 0.000 0.988 655 V HN 0.708 nan 8.190 nan 0.000 0.431 656 V N 6.080 125.880 119.914 -0.189 0.000 2.409 656 V HA 0.557 4.677 4.120 -0.000 0.000 0.291 656 V C -0.017 176.071 176.094 -0.011 0.000 1.020 656 V CA -0.759 61.486 62.300 -0.091 0.000 0.848 656 V CB 1.775 33.583 31.823 -0.024 0.000 0.990 656 V HN 0.738 nan 8.190 nan 0.000 0.430 657 R N 3.210 123.759 120.500 0.082 0.000 2.407 657 R HA 0.774 5.114 4.340 -0.000 0.000 0.303 657 R C -0.215 176.194 176.300 0.182 0.000 0.981 657 R CA -0.217 55.999 56.100 0.193 0.000 0.905 657 R CB 1.994 32.549 30.300 0.424 0.000 1.099 657 R HN 0.873 nan 8.270 nan 0.000 0.459 658 S N 1.673 117.461 115.700 0.148 0.000 2.607 658 S HA 0.658 5.128 4.470 -0.000 0.000 0.273 658 S C -0.657 174.010 174.600 0.112 0.000 1.148 658 S CA -1.035 57.242 58.200 0.127 0.000 0.833 658 S CB 3.094 66.352 63.200 0.098 0.000 1.130 658 S HN 0.669 nan 8.310 nan 0.000 0.470 672 V N 2.024 121.943 119.914 0.009 0.000 2.530 672 V HA 0.631 4.751 4.120 -0.000 0.000 0.282 672 V C 0.375 176.477 176.094 0.013 0.000 1.048 672 V CA 0.153 62.462 62.300 0.015 0.000 0.997 672 V CB 1.372 33.213 31.823 0.030 0.000 0.987 672 V HN 0.902 nan 8.190 nan 0.000 0.477 673 T N 4.018 118.578 114.554 0.011 0.000 2.841 673 T HA 0.656 5.006 4.350 -0.000 0.000 0.285 673 T C -0.098 174.613 174.700 0.019 0.000 0.991 673 T CA -0.296 61.811 62.100 0.011 0.000 0.966 673 T CB 1.626 70.491 68.868 -0.005 0.000 0.962 673 T HN 0.917 nan 8.240 nan 0.000 0.438 674 A N 2.874 125.716 122.820 0.036 0.000 2.301 674 A HA 0.715 5.035 4.320 -0.000 0.000 0.298 674 A C -0.297 177.298 177.584 0.018 0.000 1.185 674 A CA -0.526 51.524 52.037 0.021 0.000 0.830 674 A CB 0.416 19.428 19.000 0.020 0.000 1.112 674 A HN 0.688 nan 8.150 nan 0.000 0.508 675 V N 2.160 122.076 119.914 0.004 0.000 2.378 675 V HA 0.645 4.765 4.120 -0.000 0.000 0.288 675 V C 0.375 176.468 176.094 -0.002 0.000 1.016 675 V CA -0.235 62.065 62.300 0.001 0.000 0.840 675 V CB 1.102 32.925 31.823 -0.001 0.000 0.994 675 V HN 1.159 nan 8.190 nan 0.000 0.431 676 A N 5.963 128.779 122.820 -0.005 0.000 2.337 676 A HA 0.914 5.234 4.320 -0.000 0.000 0.329 676 A C -0.730 176.851 177.584 -0.004 0.000 1.146 676 A CA -0.590 51.445 52.037 -0.004 0.000 0.800 676 A CB 0.958 19.951 19.000 -0.010 0.000 1.220 676 A HN 0.782 nan 8.150 nan 0.000 0.472 677 I N 1.853 122.432 120.570 0.014 0.000 2.354 677 I HA 0.250 4.420 4.170 -0.000 0.000 0.286 677 I C -0.711 175.443 176.117 0.060 0.000 1.007 677 I CA -0.276 61.041 61.300 0.029 0.000 1.167 677 I CB 1.161 39.183 38.000 0.036 0.000 1.320 677 I HN 0.515 nan 8.210 nan 0.000 0.458 678 c N 5.227 123.868 118.600 0.068 0.000 2.341 678 c HA 0.671 5.241 4.570 -0.000 0.000 0.338 678 c C 0.245 174.572 174.090 0.396 0.000 1.257 678 c CA -0.560 55.880 56.329 0.184 0.000 1.883 678 c CB 0.205 42.749 42.510 0.056 0.000 2.334 678 c HN 0.798 nan 8.230 nan 0.000 0.524 679 c N 2.555 121.400 118.600 0.408 0.000 2.889 679 c HA 0.956 5.526 4.570 -0.000 0.000 0.307 679 c C -0.203 173.907 174.090 0.033 0.000 1.251 679 c CA -0.804 55.699 56.329 0.290 0.000 1.593 679 c CB 1.755 44.339 42.510 0.123 0.000 2.104 679 c HN 1.080 nan 8.230 nan 0.000 0.476 680 R N 0.002 120.331 120.500 -0.286 0.000 2.764 680 R HA 0.688 5.028 4.340 -0.000 0.000 0.270 680 R C -0.840 175.259 176.300 -0.334 0.000 1.014 680 R CA -0.298 55.517 56.100 -0.475 0.000 0.904 680 R CB 1.165 30.852 30.300 -1.022 0.000 1.236 680 R HN 0.534 nan 8.270 nan 0.000 0.466 681 S N 0.329 115.858 115.700 -0.285 0.000 2.546 681 S HA 0.067 4.537 4.470 -0.000 0.000 0.290 681 S C -0.079 174.406 174.600 -0.191 0.000 1.290 681 S CA -0.211 57.874 58.200 -0.191 0.000 1.069 681 S CB 0.232 63.330 63.200 -0.169 0.000 0.846 681 S HN 0.494 nan 8.310 nan 0.000 0.495 682 R N 0.000 120.428 120.500 -0.120 0.000 2.786 682 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 682 R CA 0.000 56.043 56.100 -0.095 0.000 0.921 682 R CB 0.000 30.264 30.300 -0.060 0.000 0.687 682 R HN 0.000 nan 8.270 nan 0.000 0.535