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 1ddi_1_A DATA FIRST_RESID 226 DATA SEQUENCE IHTSPYSKDA PLVASLSVNQ KITGRNSEKD VRHIEIDLGD SGLRYQPGDA DATA SEQUENCE LGVWYQNDPA LVKELVELLW LKGDEPVTVE GKTLPLNEAL QWHFELTVNT DATA SEQUENCE ANIVENYATL TRSETLLPLV GDKAKLQHYA ATTPIVDMVR FSPAQLDAEA DATA SEQUENCE LINLLRPLTP RLYSIASSQA EVENEVHVTV GVVRYDVEGR ARAGGASSFL DATA SEQUENCE ADRVEEEGEV RVFIEHNDNF RLPANPETPV IMIGPGTGIA PFRAFMQQRA DATA SEQUENCE ADEAPGKNWL FFGNPHFTED FLYQVEWQRY VKEGVLTRID LAWSRDQKEK DATA SEQUENCE VYVQDKLREQ GAELWRWIND GAHIYVCGDA NRMAKDVEQA LLEVIAEFGG DATA SEQUENCE MDTEAADEFL SELRVERRYQ RDVY 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 226 I HA 0.000 nan 4.170 nan 0.000 0.288 226 I C 0.000 175.833 176.117 -0.473 0.000 1.063 226 I CA 0.000 61.119 61.300 -0.301 0.000 1.566 226 I CB 0.000 37.806 38.000 -0.323 0.000 1.214 227 H N 0.671 119.738 119.070 -0.003 0.000 2.500 227 H HA 0.178 4.735 4.556 0.001 0.000 0.243 227 H C 1.536 176.874 175.328 0.016 0.000 1.318 227 H CA 0.646 56.700 56.048 0.009 0.000 1.077 227 H CB 0.553 30.320 29.762 0.008 0.000 1.748 227 H HN 0.189 nan 8.280 nan 0.000 0.556 228 T N -1.979 112.619 114.554 0.073 0.000 2.665 228 T HA -0.189 4.161 4.350 0.001 0.000 0.268 228 T C 1.030 175.773 174.700 0.073 0.000 1.035 228 T CA 0.893 63.026 62.100 0.055 0.000 1.151 228 T CB -0.221 68.657 68.868 0.017 0.000 0.862 228 T HN 0.426 nan 8.240 nan 0.000 0.438 229 S N 2.006 117.749 115.700 0.072 0.000 3.030 229 S HA -0.045 4.425 4.470 0.001 0.000 0.855 229 S C -2.406 172.171 174.600 -0.038 0.000 0.973 229 S CA -0.307 57.934 58.200 0.069 0.000 1.342 229 S CB -0.760 62.557 63.200 0.195 0.000 0.961 229 S HN 0.693 nan 8.310 nan 0.000 0.275 230 P HA 0.482 nan 4.420 nan 0.000 0.293 230 P C -0.582 176.476 177.300 -0.403 0.000 1.298 230 P CA -0.082 62.789 63.100 -0.381 0.000 0.757 230 P CB -0.101 31.225 31.700 -0.622 0.000 1.262 231 Y N -3.152 117.196 120.300 0.080 0.000 2.656 231 Y HA -0.046 4.505 4.550 0.001 0.000 0.032 231 Y C 0.405 176.389 175.900 0.140 0.000 1.862 231 Y CA 0.104 58.274 58.100 0.117 0.000 1.309 231 Y CB -2.168 36.385 38.460 0.154 0.000 1.965 231 Y HN 0.719 nan 8.280 nan 0.000 0.275 232 S N 0.600 116.469 115.700 0.282 0.000 2.683 232 S HA 0.468 4.938 4.470 0.001 0.000 0.269 232 S C 0.427 174.957 174.600 -0.116 0.000 1.165 232 S CA -0.772 57.512 58.200 0.139 0.000 0.840 232 S CB 1.829 65.068 63.200 0.065 0.000 1.169 232 S HN 0.655 nan 8.310 nan 0.000 0.490 233 K N 0.489 120.521 120.400 -0.612 0.000 2.044 233 K HA -0.113 4.207 4.320 0.001 0.000 0.210 233 K C -0.198 176.338 176.600 -0.108 0.000 1.049 233 K CA 2.014 57.701 56.287 -1.000 0.000 0.927 233 K CB -0.511 31.411 32.500 -0.963 0.000 0.713 233 K HN 0.620 nan 8.250 nan 0.000 0.443 234 D N -0.579 119.789 120.400 -0.053 0.000 2.329 234 D HA 0.207 4.847 4.640 0.001 0.000 0.246 234 D C -0.222 176.061 176.300 -0.028 0.000 1.111 234 D CA 0.928 54.918 54.000 -0.017 0.000 0.941 234 D CB 1.156 41.947 40.800 -0.015 0.000 1.169 234 D HN 0.386 nan 8.370 nan 0.000 0.441 235 A N 0.737 123.534 122.820 -0.038 0.000 2.610 235 A HA -0.127 4.194 4.320 0.001 0.000 0.299 235 A C -2.223 175.466 177.584 0.175 0.000 1.487 235 A CA -0.083 51.981 52.037 0.045 0.000 0.743 235 A CB -1.760 17.263 19.000 0.037 0.000 1.070 235 A HN 0.360 nan 8.150 nan 0.000 0.439 236 P HA 0.478 nan 4.420 nan 0.000 0.276 236 P C 0.070 177.520 177.300 0.249 0.000 1.244 236 P CA -0.581 62.703 63.100 0.307 0.000 0.801 236 P CB 0.888 32.817 31.700 0.381 0.000 1.006 237 L N 2.593 123.867 121.223 0.086 0.000 2.367 237 L HA 0.154 4.494 4.340 0.001 0.000 0.275 237 L C -0.328 176.528 176.870 -0.024 0.000 1.129 237 L CA -0.213 54.498 54.840 -0.214 0.000 0.839 237 L CB 0.470 42.161 42.059 -0.614 0.000 1.133 237 L HN 0.044 nan 8.230 nan 0.000 0.453 238 V N 7.262 127.179 119.914 0.006 0.000 2.326 238 V HA 0.482 4.603 4.120 0.001 0.000 0.249 238 V C 0.858 176.962 176.094 0.017 0.000 1.114 238 V CA 0.377 62.703 62.300 0.044 0.000 1.028 238 V CB -0.588 31.270 31.823 0.058 0.000 1.170 238 V HN 1.009 nan 8.190 nan 0.000 0.494 239 A N 4.580 127.413 122.820 0.022 0.000 2.420 239 A HA 0.986 5.306 4.320 0.001 0.000 0.291 239 A C 0.264 177.861 177.584 0.023 0.000 1.228 239 A CA -0.113 51.927 52.037 0.006 0.000 0.933 239 A CB 1.427 20.421 19.000 -0.009 0.000 1.428 239 A HN 0.904 nan 8.150 nan 0.000 0.493 240 S N -1.447 114.259 115.700 0.010 0.000 2.564 240 S HA 0.568 5.039 4.470 0.001 0.000 0.274 240 S C -1.133 173.456 174.600 -0.017 0.000 1.124 240 S CA -0.588 57.614 58.200 0.004 0.000 0.869 240 S CB 1.078 64.281 63.200 0.006 0.000 1.105 240 S HN 1.201 nan 8.310 nan 0.000 0.472 241 L N 2.947 124.147 121.223 -0.038 0.000 2.361 241 L HA 0.535 4.875 4.340 0.001 0.000 0.278 241 L C 1.149 177.980 176.870 -0.064 0.000 1.113 241 L CA 0.782 55.580 54.840 -0.069 0.000 0.849 241 L CB 1.084 43.080 42.059 -0.105 0.000 1.155 241 L HN 1.031 nan 8.230 nan 0.000 0.452 242 S N 3.703 119.361 115.700 -0.069 0.000 2.545 242 S HA 0.279 4.749 4.470 0.001 0.000 0.232 242 S C 0.243 174.800 174.600 -0.072 0.000 1.070 242 S CA 0.123 58.291 58.200 -0.054 0.000 0.923 242 S CB 0.372 63.554 63.200 -0.029 0.000 0.806 242 S HN 0.345 nan 8.310 nan 0.000 0.506 243 V N 2.958 122.807 119.914 -0.108 0.000 2.709 243 V HA 0.588 4.709 4.120 0.001 0.000 0.308 243 V C -1.322 174.692 176.094 -0.133 0.000 1.062 243 V CA -0.874 61.365 62.300 -0.102 0.000 0.901 243 V CB 1.832 33.602 31.823 -0.088 0.000 1.003 243 V HN 0.522 nan 8.190 nan 0.000 0.425 244 N N 3.507 122.147 118.700 -0.100 0.000 2.690 244 N HA 0.342 5.082 4.740 0.001 0.000 0.255 244 N C -1.029 174.440 175.510 -0.069 0.000 1.195 244 N CA -0.391 52.594 53.050 -0.109 0.000 0.790 244 N CB 1.500 39.913 38.487 -0.122 0.000 1.216 244 N HN 0.701 nan 8.380 nan 0.000 0.528 245 Q N 1.775 121.554 119.800 -0.035 0.000 2.333 245 Q HA 0.361 4.701 4.340 0.001 0.000 0.268 245 Q C -0.982 175.004 176.000 -0.024 0.000 1.007 245 Q CA -0.664 55.129 55.803 -0.016 0.000 0.810 245 Q CB 1.157 29.909 28.738 0.023 0.000 1.264 245 Q HN 0.387 nan 8.270 nan 0.000 0.452 246 K N 3.776 124.150 120.400 -0.043 0.000 2.416 246 K HA 0.127 4.448 4.320 0.001 0.000 0.283 246 K C -0.115 176.446 176.600 -0.065 0.000 1.037 246 K CA 0.158 56.416 56.287 -0.048 0.000 0.995 246 K CB 0.393 32.867 32.500 -0.043 0.000 0.938 246 K HN 0.791 nan 8.250 nan 0.000 0.475 247 I N 3.074 123.594 120.570 -0.082 0.000 4.082 247 I HA -0.037 4.133 4.170 0.001 0.000 0.337 247 I C -0.052 176.006 176.117 -0.099 0.000 1.352 247 I CA 0.113 61.327 61.300 -0.143 0.000 1.097 247 I CB 0.716 38.566 38.000 -0.251 0.000 1.048 247 I HN 0.694 nan 8.210 nan 0.000 0.393 248 T N -1.489 113.039 114.554 -0.044 0.000 2.875 248 T HA 0.680 5.031 4.350 0.001 0.000 0.284 248 T C 0.677 175.366 174.700 -0.019 0.000 0.995 248 T CA -0.580 61.519 62.100 -0.003 0.000 1.060 248 T CB 1.457 70.347 68.868 0.037 0.000 0.967 248 T HN 0.143 nan 8.240 nan 0.000 0.476 249 G N 1.034 109.823 108.800 -0.018 0.000 2.683 249 G HA2 0.235 4.196 3.960 0.001 0.000 0.260 249 G HA3 0.235 4.196 3.960 0.001 0.000 0.260 249 G C 0.997 175.882 174.900 -0.026 0.000 1.238 249 G CA -0.746 44.332 45.100 -0.036 0.000 0.934 249 G HN 0.989 nan 8.290 nan 0.000 0.534 250 R N -0.887 119.592 120.500 -0.035 0.000 2.235 250 R HA 0.046 4.386 4.340 0.001 0.000 0.213 250 R C 0.719 177.005 176.300 -0.024 0.000 1.059 250 R CA 1.088 57.171 56.100 -0.029 0.000 0.997 250 R CB -0.017 30.263 30.300 -0.033 0.000 0.884 250 R HN 0.355 nan 8.270 nan 0.000 0.462 251 N N 0.838 119.520 118.700 -0.030 0.000 2.205 251 N HA 0.006 4.746 4.740 0.001 0.000 0.201 251 N C -0.171 175.337 175.510 -0.004 0.000 1.128 251 N CA 0.099 53.129 53.050 -0.033 0.000 0.867 251 N CB 0.884 39.327 38.487 -0.073 0.000 0.996 251 N HN 0.155 nan 8.380 nan 0.000 0.503 252 S N 0.700 116.414 115.700 0.024 0.000 2.572 252 S HA 0.000 4.470 4.470 0.001 0.000 0.267 252 S C 1.231 175.878 174.600 0.078 0.000 1.361 252 S CA 0.071 58.320 58.200 0.081 0.000 1.009 252 S CB 0.925 64.171 63.200 0.078 0.000 0.888 252 S HN 0.083 nan 8.310 nan 0.000 0.553 253 E N 1.539 121.805 120.200 0.109 0.000 2.442 253 E HA 0.103 4.454 4.350 0.001 0.000 0.195 253 E C -0.025 176.620 176.600 0.074 0.000 1.030 253 E CA 0.605 57.057 56.400 0.086 0.000 0.869 253 E CB 0.071 29.830 29.700 0.099 0.000 0.857 253 E HN 0.548 nan 8.360 nan 0.000 0.505 254 K N 0.853 121.302 120.400 0.082 0.000 2.123 254 K HA 0.283 4.603 4.320 0.001 0.000 0.248 254 K C -0.372 176.259 176.600 0.052 0.000 0.969 254 K CA -0.698 55.632 56.287 0.072 0.000 0.882 254 K CB 1.074 33.627 32.500 0.089 0.000 1.080 254 K HN -0.281 nan 8.250 nan 0.000 0.441 255 D N 1.865 122.290 120.400 0.040 0.000 2.472 255 D HA 0.210 4.850 4.640 0.001 0.000 0.234 255 D C -1.371 174.940 176.300 0.019 0.000 1.088 255 D CA -0.467 53.544 54.000 0.019 0.000 0.882 255 D CB 0.805 41.609 40.800 0.007 0.000 1.037 255 D HN 0.157 nan 8.370 nan 0.000 0.520 256 V N 4.892 124.815 119.914 0.016 0.000 2.435 256 V HA 0.516 4.637 4.120 0.001 0.000 0.290 256 V C 0.262 176.343 176.094 -0.022 0.000 1.030 256 V CA -0.856 61.452 62.300 0.012 0.000 0.881 256 V CB 1.555 33.403 31.823 0.041 0.000 0.983 256 V HN 0.318 nan 8.190 nan 0.000 0.445 257 R N 1.863 122.342 120.500 -0.034 0.000 2.460 257 R HA 0.398 4.738 4.340 0.001 0.000 0.303 257 R C -0.521 175.769 176.300 -0.017 0.000 0.968 257 R CA -0.914 55.158 56.100 -0.048 0.000 0.889 257 R CB 0.952 31.197 30.300 -0.092 0.000 1.123 257 R HN 0.865 nan 8.270 nan 0.000 0.455 258 H N 3.020 122.037 119.070 -0.088 0.000 2.652 258 H HA 0.317 4.874 4.556 0.001 0.000 0.298 258 H C -0.408 174.871 175.328 -0.082 0.000 1.076 258 H CA -0.177 55.855 56.048 -0.027 0.000 1.360 258 H CB 0.315 30.079 29.762 0.003 0.000 1.421 258 H HN 0.318 nan 8.280 nan 0.000 0.464 259 I N 4.684 124.915 120.570 -0.565 0.000 2.562 259 I HA 0.287 4.458 4.170 0.001 0.000 0.301 259 I C -0.178 175.571 176.117 -0.614 0.000 1.003 259 I CA -0.709 60.311 61.300 -0.467 0.000 1.127 259 I CB 1.814 39.622 38.000 -0.320 0.000 1.304 259 I HN 0.741 nan 8.210 nan 0.000 0.446 260 E N 5.753 125.690 120.200 -0.439 0.000 2.246 260 E HA 0.569 4.919 4.350 0.001 0.000 0.266 260 E C -1.158 175.359 176.600 -0.138 0.000 0.880 260 E CA -0.482 55.703 56.400 -0.358 0.000 0.762 260 E CB 3.013 32.424 29.700 -0.482 0.000 1.180 260 E HN 0.387 nan 8.360 nan 0.000 0.416 261 I N 2.184 122.730 120.570 -0.040 0.000 2.389 261 I HA 0.165 4.336 4.170 0.001 0.000 0.288 261 I C -0.554 175.580 176.117 0.029 0.000 0.999 261 I CA -0.865 60.420 61.300 -0.024 0.000 1.129 261 I CB 1.616 39.590 38.000 -0.043 0.000 1.288 261 I HN 0.477 nan 8.210 nan 0.000 0.444 262 D N 6.266 126.677 120.400 0.019 0.000 2.351 262 D HA 0.212 4.852 4.640 0.001 0.000 0.251 262 D C 0.334 176.648 176.300 0.024 0.000 1.137 262 D CA 0.206 54.226 54.000 0.033 0.000 0.879 262 D CB 1.100 41.913 40.800 0.022 0.000 1.181 262 D HN 0.411 nan 8.370 nan 0.000 0.448 263 L N 3.398 124.642 121.223 0.036 0.000 2.700 263 L HA 0.317 4.657 4.340 0.001 0.000 0.234 263 L C 1.731 178.613 176.870 0.019 0.000 1.156 263 L CA -0.106 54.747 54.840 0.021 0.000 0.946 263 L CB -0.581 41.507 42.059 0.049 0.000 1.216 263 L HN 0.736 nan 8.230 nan 0.000 0.493 264 G N 1.161 109.976 108.800 0.025 0.000 2.661 264 G HA2 -0.430 3.530 3.960 0.001 0.000 0.327 264 G HA3 -0.430 3.530 3.960 0.001 0.000 0.327 264 G C 0.580 175.503 174.900 0.037 0.000 1.320 264 G CA 0.807 45.924 45.100 0.029 0.000 0.997 264 G HN 0.316 nan 8.290 nan 0.000 0.543 265 D N 0.690 121.116 120.400 0.044 0.000 2.317 265 D HA 0.066 4.706 4.640 0.001 0.000 0.211 265 D C 2.796 179.144 176.300 0.080 0.000 0.966 265 D CA 1.535 55.568 54.000 0.056 0.000 0.876 265 D CB -0.353 40.485 40.800 0.063 0.000 0.927 265 D HN 0.515 nan 8.370 nan 0.000 0.519 266 S N -0.612 115.138 115.700 0.084 0.000 2.419 266 S HA -0.093 4.377 4.470 0.001 0.000 0.235 266 S C 1.967 176.687 174.600 0.201 0.000 1.019 266 S CA 1.210 59.499 58.200 0.149 0.000 0.982 266 S CB -0.609 62.600 63.200 0.015 0.000 0.789 266 S HN 0.315 nan 8.310 nan 0.000 0.490 267 G N 0.415 109.294 108.800 0.130 0.000 2.153 267 G HA2 -0.265 3.696 3.960 0.001 0.000 0.252 267 G HA3 -0.265 3.696 3.960 0.001 0.000 0.252 267 G C -0.088 174.907 174.900 0.157 0.000 0.994 267 G CA 0.226 45.403 45.100 0.129 0.000 0.698 267 G HN 0.722 nan 8.290 nan 0.000 0.521 268 L N 1.094 122.410 121.223 0.154 0.000 2.559 268 L HA 0.465 4.805 4.340 0.001 0.000 0.274 268 L C 0.676 177.638 176.870 0.152 0.000 1.205 268 L CA 0.292 55.237 54.840 0.176 0.000 0.907 268 L CB 0.274 42.380 42.059 0.080 0.000 1.153 268 L HN 0.261 nan 8.230 nan 0.000 0.490 269 R N 4.735 125.329 120.500 0.157 0.000 2.803 269 R HA 0.633 4.973 4.340 0.001 0.000 0.276 269 R C -1.314 175.064 176.300 0.130 0.000 0.978 269 R CA -0.620 55.496 56.100 0.027 0.000 0.939 269 R CB 1.907 32.178 30.300 -0.048 0.000 1.179 269 R HN 0.711 nan 8.270 nan 0.000 0.472 270 Y N -2.314 118.007 120.300 0.035 0.000 2.689 270 Y HA 0.504 5.055 4.550 0.001 0.000 0.333 270 Y C -1.217 174.704 175.900 0.036 0.000 1.208 270 Y CA -1.164 56.960 58.100 0.040 0.000 1.055 270 Y CB 1.304 39.751 38.460 -0.022 0.000 1.304 270 Y HN 0.394 nan 8.280 nan 0.000 0.455 271 Q N 1.435 121.393 119.800 0.264 0.000 2.399 271 Q HA 0.533 4.873 4.340 0.001 0.000 0.276 271 Q C -2.882 173.314 176.000 0.326 0.000 1.098 271 Q CA -2.578 53.334 55.803 0.182 0.000 0.827 271 Q CB 2.484 31.303 28.738 0.135 0.000 1.386 271 Q HN 0.393 nan 8.270 nan 0.000 0.443 272 P HA -0.038 nan 4.420 nan 0.000 0.261 272 P C 0.440 178.013 177.300 0.456 0.000 1.183 272 P CA 1.160 64.481 63.100 0.368 0.000 0.761 272 P CB 0.369 32.296 31.700 0.379 0.000 0.785 273 G N 2.133 111.186 108.800 0.421 0.000 2.307 273 G HA2 -0.161 3.799 3.960 0.001 0.000 0.210 273 G HA3 -0.161 3.799 3.960 0.001 0.000 0.210 273 G C 0.144 175.162 174.900 0.196 0.000 1.005 273 G CA -0.330 45.065 45.100 0.492 0.000 0.634 273 G HN 0.479 nan 8.290 nan 0.000 0.496 274 D N 0.992 121.482 120.400 0.150 0.000 2.393 274 D HA 0.662 5.302 4.640 0.001 0.000 0.246 274 D C 0.725 176.969 176.300 -0.094 0.000 1.275 274 D CA 0.996 55.018 54.000 0.037 0.000 0.979 274 D CB 1.107 41.932 40.800 0.042 0.000 1.101 274 D HN 0.906 nan 8.370 nan 0.000 0.505 275 A N 0.020 122.743 122.820 -0.163 0.000 2.454 275 A HA 0.573 4.893 4.320 0.001 0.000 0.302 275 A C -1.392 176.012 177.584 -0.301 0.000 1.079 275 A CA -0.596 51.302 52.037 -0.232 0.000 0.731 275 A CB 1.305 20.160 19.000 -0.241 0.000 1.299 275 A HN 0.366 nan 8.150 nan 0.000 0.413 276 L N 1.660 122.695 121.223 -0.313 0.000 2.272 276 L HA 0.669 5.009 4.340 0.001 0.000 0.289 276 L C 0.580 177.169 176.870 -0.468 0.000 1.032 276 L CA 0.161 54.778 54.840 -0.372 0.000 0.810 276 L CB 1.214 43.109 42.059 -0.273 0.000 1.205 276 L HN 0.796 nan 8.230 nan 0.000 0.422 277 G N 4.796 113.050 108.800 -0.910 0.000 2.339 277 G HA2 0.522 4.482 3.960 0.001 0.000 0.287 277 G HA3 0.522 4.482 3.960 0.001 0.000 0.287 277 G C -1.171 173.287 174.900 -0.737 0.000 1.163 277 G CA -0.309 44.026 45.100 -1.276 0.000 0.872 277 G HN 0.483 nan 8.290 nan 0.000 0.464 278 V N 3.443 123.190 119.914 -0.278 0.000 2.443 278 V HA 0.325 4.445 4.120 0.001 0.000 0.293 278 V C -0.658 175.486 176.094 0.082 0.000 1.021 278 V CA -0.939 61.364 62.300 0.005 0.000 0.848 278 V CB 1.241 33.154 31.823 0.150 0.000 0.998 278 V HN 0.789 nan 8.190 nan 0.000 0.424 279 W N 5.038 126.442 121.300 0.172 0.000 2.170 279 W HA 0.538 5.198 4.660 0.001 0.000 0.336 279 W C 0.013 176.505 176.519 -0.046 0.000 1.283 279 W CA 0.294 57.693 57.345 0.091 0.000 1.224 279 W CB 0.631 30.126 29.460 0.058 0.000 1.132 279 W HN 0.688 nan 8.180 nan 0.000 0.571 280 Y N -0.934 119.254 120.300 -0.187 0.000 2.625 280 Y HA 0.618 5.168 4.550 0.001 0.000 0.338 280 Y C -0.999 174.378 175.900 -0.872 0.000 1.123 280 Y CA -1.782 55.754 58.100 -0.941 0.000 1.046 280 Y CB 1.073 39.162 38.460 -0.618 0.000 1.299 280 Y HN 0.429 nan 8.280 nan 0.000 0.464 281 Q N 1.569 120.579 119.800 -1.316 0.000 2.345 281 Q HA 0.392 4.732 4.340 0.001 0.000 0.268 281 Q C -0.954 174.822 176.000 -0.374 0.000 1.054 281 Q CA -1.295 53.967 55.803 -0.901 0.000 0.835 281 Q CB 1.731 29.911 28.738 -0.931 0.000 1.339 281 Q HN 0.629 nan 8.270 nan 0.000 0.447 282 N N 1.421 119.952 118.700 -0.282 0.000 2.415 282 N HA -0.038 4.702 4.740 0.001 0.000 0.248 282 N C -0.625 174.870 175.510 -0.024 0.000 1.271 282 N CA 0.188 53.220 53.050 -0.029 0.000 0.913 282 N CB 0.488 38.962 38.487 -0.021 0.000 1.129 282 N HN 0.585 nan 8.380 nan 0.000 0.444 283 D N 1.179 121.601 120.400 0.038 0.000 2.472 283 D HA 0.011 4.651 4.640 0.001 0.000 0.248 283 D C -1.529 174.766 176.300 -0.007 0.000 1.174 283 D CA -1.270 52.742 54.000 0.020 0.000 0.883 283 D CB 0.825 41.633 40.800 0.012 0.000 1.149 283 D HN 0.246 nan 8.370 nan 0.000 0.488 284 P HA -0.066 nan 4.420 nan 0.000 0.220 284 P C 0.816 178.114 177.300 -0.002 0.000 1.148 284 P CA 1.026 64.124 63.100 -0.004 0.000 0.803 284 P CB 0.147 31.852 31.700 0.008 0.000 0.782 285 A N -0.372 122.443 122.820 -0.008 0.000 1.968 285 A HA -0.083 4.237 4.320 0.001 0.000 0.217 285 A C 2.175 179.744 177.584 -0.025 0.000 1.169 285 A CA 0.840 52.868 52.037 -0.015 0.000 0.638 285 A CB -1.472 17.515 19.000 -0.021 0.000 0.812 285 A HN 0.143 nan 8.150 nan 0.000 0.446 286 L N -0.183 121.025 121.223 -0.025 0.000 2.072 286 L HA -0.108 4.233 4.340 0.001 0.000 0.205 286 L C 2.408 179.261 176.870 -0.027 0.000 1.079 286 L CA 1.366 56.187 54.840 -0.033 0.000 0.752 286 L CB -0.312 41.731 42.059 -0.027 0.000 0.906 286 L HN 0.262 nan 8.230 nan 0.000 0.436 287 V N 0.428 120.335 119.914 -0.013 0.000 2.287 287 V HA -0.352 3.768 4.120 0.001 0.000 0.248 287 V C 2.575 178.662 176.094 -0.012 0.000 1.053 287 V CA 2.196 64.494 62.300 -0.003 0.000 1.027 287 V CB -0.588 31.244 31.823 0.015 0.000 0.646 287 V HN 0.475 nan 8.190 nan 0.000 0.447 288 K N 0.009 120.403 120.400 -0.010 0.000 2.032 288 K HA -0.284 4.036 4.320 0.001 0.000 0.209 288 K C 2.264 178.845 176.600 -0.032 0.000 1.048 288 K CA 2.184 58.464 56.287 -0.012 0.000 0.927 288 K CB -0.246 32.251 32.500 -0.006 0.000 0.712 288 K HN 0.568 nan 8.250 nan 0.000 0.441 289 E N 0.572 120.746 120.200 -0.043 0.000 2.097 289 E HA -0.237 4.113 4.350 0.001 0.000 0.196 289 E C 2.073 178.617 176.600 -0.093 0.000 1.000 289 E CA 1.211 57.572 56.400 -0.065 0.000 0.804 289 E CB -0.073 29.584 29.700 -0.071 0.000 0.740 289 E HN 0.360 nan 8.360 nan 0.000 0.454 290 L N 0.350 121.522 121.223 -0.086 0.000 2.027 290 L HA -0.146 4.194 4.340 0.001 0.000 0.206 290 L C 2.452 179.251 176.870 -0.119 0.000 1.074 290 L CA 1.109 55.885 54.840 -0.106 0.000 0.745 290 L CB -0.325 41.688 42.059 -0.078 0.000 0.898 290 L HN 0.149 nan 8.230 nan 0.000 0.433 291 V N 0.436 120.304 119.914 -0.077 0.000 2.287 291 V HA -0.308 3.812 4.120 0.001 0.000 0.248 291 V C 2.439 178.476 176.094 -0.096 0.000 1.053 291 V CA 2.037 64.298 62.300 -0.066 0.000 1.027 291 V CB -0.496 31.315 31.823 -0.020 0.000 0.646 291 V HN 0.501 nan 8.190 nan 0.000 0.447 292 E N -0.123 120.024 120.200 -0.087 0.000 2.110 292 E HA -0.191 4.159 4.350 0.001 0.000 0.193 292 E C 2.145 178.608 176.600 -0.228 0.000 0.988 292 E CA 1.182 57.529 56.400 -0.089 0.000 0.804 292 E CB -0.212 29.467 29.700 -0.036 0.000 0.745 292 E HN 0.518 nan 8.360 nan 0.000 0.458 293 L N 0.372 121.416 121.223 -0.299 0.000 2.275 293 L HA -0.134 4.206 4.340 0.001 0.000 0.215 293 L C 1.714 178.014 176.870 -0.951 0.000 1.119 293 L CA 0.254 54.811 54.840 -0.471 0.000 0.790 293 L CB 0.001 41.873 42.059 -0.311 0.000 0.919 293 L HN 0.127 nan 8.230 nan 0.000 0.443 294 L N -1.138 119.670 121.223 -0.692 0.000 2.607 294 L HA 0.091 4.431 4.340 0.001 0.000 0.228 294 L C 0.009 176.559 176.870 -0.533 0.000 1.123 294 L CA 0.179 54.588 54.840 -0.718 0.000 0.890 294 L CB -0.709 41.186 42.059 -0.274 0.000 1.103 294 L HN 0.346 nan 8.230 nan 0.000 0.468 295 W N -0.998 120.316 121.300 0.024 0.000 5.121 295 W HA -0.273 4.388 4.660 0.000 0.000 0.372 295 W C 0.078 176.608 176.519 0.018 0.000 1.394 295 W CA -0.062 57.295 57.345 0.020 0.000 0.885 295 W CB -2.244 27.228 29.460 0.019 0.000 2.520 295 W HN 0.079 nan 8.180 nan 0.000 1.455 296 L N -0.287 120.985 121.223 0.081 0.000 2.585 296 L HA 0.903 5.243 4.340 0.001 0.000 0.260 296 L C 0.980 177.883 176.870 0.056 0.000 1.085 296 L CA -0.188 54.693 54.840 0.068 0.000 0.913 296 L CB -0.051 42.025 42.059 0.028 0.000 1.638 296 L HN -0.158 nan 8.230 nan 0.000 0.531 297 K N -0.737 119.691 120.400 0.045 0.000 2.158 297 K HA 0.732 5.053 4.320 0.001 0.000 0.243 297 K C 0.318 176.939 176.600 0.035 0.000 1.079 297 K CA -0.011 56.298 56.287 0.037 0.000 0.920 297 K CB -0.283 32.239 32.500 0.037 0.000 1.400 297 K HN 0.701 nan 8.250 nan 0.000 0.561 298 G N -1.106 107.718 108.800 0.040 0.000 2.679 298 G HA2 0.271 4.231 3.960 0.001 0.000 0.158 298 G HA3 0.271 4.231 3.960 0.001 0.000 0.158 298 G C 1.363 176.288 174.900 0.040 0.000 1.702 298 G CA 2.548 47.677 45.100 0.047 0.000 1.041 298 G HN 1.884 nan 8.290 nan 0.000 0.507 299 D N -1.145 119.277 120.400 0.036 0.000 4.429 299 D HA -0.282 4.358 4.640 0.001 0.000 0.235 299 D C 1.016 177.333 176.300 0.029 0.000 1.091 299 D CA 2.237 56.255 54.000 0.030 0.000 2.197 299 D CB -1.776 39.042 40.800 0.031 0.000 1.181 299 D HN 0.695 nan 8.370 nan 0.000 0.415 300 E N 2.652 122.870 120.200 0.030 0.000 2.328 300 E HA 0.483 4.833 4.350 0.001 0.000 0.265 300 E C -2.267 174.346 176.600 0.022 0.000 1.057 300 E CA -0.783 55.632 56.400 0.025 0.000 0.916 300 E CB 1.145 30.859 29.700 0.024 0.000 0.993 300 E HN 0.641 nan 8.360 nan 0.000 0.446 301 P HA 0.072 nan 4.420 nan 0.000 0.271 301 P C -0.613 176.692 177.300 0.009 0.000 1.216 301 P CA -0.141 62.966 63.100 0.011 0.000 0.776 301 P CB 0.974 32.678 31.700 0.007 0.000 0.881 302 V N 2.293 122.212 119.914 0.009 0.000 3.188 302 V HA 0.394 4.515 4.120 0.001 0.000 0.305 302 V C -0.652 175.445 176.094 0.006 0.000 1.232 302 V CA -0.479 61.824 62.300 0.006 0.000 1.043 302 V CB 2.841 34.670 31.823 0.010 0.000 1.068 302 V HN 0.455 nan 8.190 nan 0.000 0.439 303 T N 2.647 117.206 114.554 0.009 0.000 2.756 303 T HA 0.612 4.962 4.350 0.001 0.000 0.290 303 T C -0.853 173.867 174.700 0.034 0.000 0.985 303 T CA -0.183 61.921 62.100 0.008 0.000 0.955 303 T CB 0.989 69.861 68.868 0.007 0.000 0.930 303 T HN 0.418 nan 8.240 nan 0.000 0.451 304 V N 3.028 122.939 119.914 -0.004 0.000 2.407 304 V HA 0.619 4.739 4.120 0.001 0.000 0.291 304 V C 0.530 176.591 176.094 -0.054 0.000 1.018 304 V CA -0.595 61.707 62.300 0.003 0.000 0.842 304 V CB 0.709 32.455 31.823 -0.129 0.000 0.996 304 V HN 1.107 nan 8.190 nan 0.000 0.426 305 E N 3.074 123.272 120.200 -0.004 0.000 2.210 305 E HA -0.132 4.218 4.350 0.001 0.000 0.201 305 E C 1.687 178.271 176.600 -0.026 0.000 1.339 305 E CA 1.420 57.811 56.400 -0.015 0.000 0.699 305 E CB -1.798 27.881 29.700 -0.036 0.000 1.126 305 E HN 2.572 nan 8.360 nan 0.000 0.355 306 G N -2.843 105.949 108.800 -0.014 0.000 2.284 306 G HA2 0.104 4.065 3.960 0.001 0.000 0.261 306 G HA3 0.104 4.065 3.960 0.001 0.000 0.261 306 G C 0.870 175.751 174.900 -0.032 0.000 0.997 306 G CA 1.920 47.008 45.100 -0.020 0.000 0.621 306 G HN 2.208 nan 8.290 nan 0.000 0.534 307 K N 0.154 120.523 120.400 -0.052 0.000 2.123 307 K HA 0.827 5.147 4.320 0.001 0.000 0.248 307 K C 0.102 176.669 176.600 -0.055 0.000 0.969 307 K CA 0.389 56.640 56.287 -0.060 0.000 0.882 307 K CB 0.974 33.423 32.500 -0.084 0.000 1.080 307 K HN 0.517 nan 8.250 nan 0.000 0.441 308 T N 2.337 116.865 114.554 -0.045 0.000 2.744 308 T HA 0.607 4.958 4.350 0.001 0.000 0.291 308 T C -0.474 174.205 174.700 -0.036 0.000 0.957 308 T CA -0.165 61.916 62.100 -0.031 0.000 1.002 308 T CB -0.406 68.450 68.868 -0.021 0.000 0.919 308 T HN 0.430 nan 8.240 nan 0.000 0.468 309 L N 5.150 126.358 121.223 -0.025 0.000 2.376 309 L HA 0.563 4.903 4.340 0.001 0.000 0.258 309 L C -2.324 174.555 176.870 0.015 0.000 1.013 309 L CA -2.902 51.930 54.840 -0.015 0.000 0.822 309 L CB 2.622 44.668 42.059 -0.022 0.000 1.388 309 L HN 0.343 nan 8.230 nan 0.000 0.413 310 P HA 0.035 nan 4.420 nan 0.000 0.271 310 P C 0.743 178.085 177.300 0.071 0.000 1.216 310 P CA -0.178 62.949 63.100 0.044 0.000 0.776 310 P CB 1.116 32.844 31.700 0.047 0.000 0.881 311 L N 3.056 124.316 121.223 0.060 0.000 2.043 311 L HA -0.269 4.072 4.340 0.001 0.000 0.212 311 L C 1.727 178.659 176.870 0.104 0.000 1.075 311 L CA 2.623 57.505 54.840 0.070 0.000 0.752 311 L CB -0.592 41.492 42.059 0.041 0.000 0.891 311 L HN 0.446 nan 8.230 nan 0.000 0.432 312 N N -0.821 117.938 118.700 0.099 0.000 2.459 312 N HA -0.246 4.494 4.740 0.001 0.000 0.181 312 N C 1.529 177.153 175.510 0.190 0.000 1.046 312 N CA 1.151 54.271 53.050 0.116 0.000 0.904 312 N CB -0.325 38.212 38.487 0.084 0.000 0.964 312 N HN 0.499 nan 8.380 nan 0.000 0.444 313 E N 0.112 120.449 120.200 0.229 0.000 2.122 313 E HA 0.045 4.395 4.350 0.001 0.000 0.190 313 E C 1.786 178.667 176.600 0.468 0.000 0.977 313 E CA 0.675 57.297 56.400 0.370 0.000 0.820 313 E CB -0.152 29.674 29.700 0.211 0.000 0.770 313 E HN 0.409 nan 8.360 nan 0.000 0.462 314 A N 0.936 123.965 122.820 0.348 0.000 1.930 314 A HA -0.122 4.198 4.320 0.001 0.000 0.217 314 A C 2.030 179.923 177.584 0.515 0.000 1.175 314 A CA 0.883 53.199 52.037 0.464 0.000 0.627 314 A CB -0.384 18.817 19.000 0.335 0.000 0.815 314 A HN 0.290 nan 8.150 nan 0.000 0.443 315 L N -0.441 120.982 121.223 0.334 0.000 2.109 315 L HA -0.104 4.236 4.340 0.001 0.000 0.207 315 L C 2.553 179.514 176.870 0.151 0.000 1.086 315 L CA 2.101 57.092 54.840 0.250 0.000 0.760 315 L CB -1.095 41.045 42.059 0.135 0.000 0.910 315 L HN 0.636 nan 8.230 nan 0.000 0.437 316 Q N -2.028 117.846 119.800 0.124 0.000 2.096 316 Q HA -0.196 4.144 4.340 0.001 0.000 0.197 316 Q C 1.948 177.752 176.000 -0.327 0.000 0.964 316 Q CA 1.691 57.425 55.803 -0.115 0.000 0.838 316 Q CB -0.064 28.569 28.738 -0.175 0.000 0.906 316 Q HN 0.491 nan 8.270 nan 0.000 0.444 317 W N -1.480 119.742 121.300 -0.131 0.000 2.762 317 W HA 0.145 4.805 4.660 0.001 0.000 0.265 317 W C 1.712 177.885 176.519 -0.577 0.000 1.263 317 W CA 0.188 57.291 57.345 -0.404 0.000 1.411 317 W CB 0.372 29.501 29.460 -0.551 0.000 1.065 317 W HN 0.220 nan 8.180 nan 0.000 0.609 318 H N -2.707 116.406 119.070 0.072 0.000 2.705 318 H HA 0.272 4.829 4.556 0.001 0.000 0.269 318 H C -0.556 174.380 175.328 -0.652 0.000 0.998 318 H CA 0.462 56.357 56.048 -0.255 0.000 1.193 318 H CB 0.506 30.087 29.762 -0.303 0.000 1.485 318 H HN -0.019 nan 8.280 nan 0.000 0.521 319 F N 0.810 120.825 119.950 0.107 0.000 2.588 319 F HA 0.233 4.760 4.527 0.001 0.000 0.314 319 F C 0.343 176.168 175.800 0.043 0.000 1.069 319 F CA -1.037 57.012 58.000 0.082 0.000 0.931 319 F CB 2.262 41.312 39.000 0.083 0.000 1.260 319 F HN -0.192 nan 8.300 nan 0.000 0.465 320 E N 1.593 121.930 120.200 0.228 0.000 2.257 320 E HA 0.213 4.563 4.350 0.001 0.000 0.278 320 E C -0.319 176.379 176.600 0.164 0.000 1.049 320 E CA 0.035 56.544 56.400 0.181 0.000 0.876 320 E CB 0.594 30.390 29.700 0.160 0.000 1.035 320 E HN 0.508 nan 8.360 nan 0.000 0.419 321 L N 3.560 124.864 121.223 0.135 0.000 2.781 321 L HA 0.058 4.399 4.340 0.001 0.000 0.245 321 L C 1.641 178.551 176.870 0.066 0.000 1.118 321 L CA 0.748 55.640 54.840 0.086 0.000 0.918 321 L CB 0.354 42.457 42.059 0.072 0.000 1.246 321 L HN 0.661 nan 8.230 nan 0.000 0.526 322 T N -4.370 110.237 114.554 0.088 0.000 3.054 322 T HA 0.308 4.659 4.350 0.001 0.000 0.255 322 T C 0.362 175.105 174.700 0.071 0.000 1.035 322 T CA -0.047 62.097 62.100 0.073 0.000 0.941 322 T CB 0.187 69.095 68.868 0.067 0.000 1.026 322 T HN -0.136 nan 8.240 nan 0.000 0.533 323 V N 2.601 122.554 119.914 0.064 0.000 2.443 323 V HA 0.507 4.628 4.120 0.001 0.000 0.293 323 V C -0.754 175.365 176.094 0.041 0.000 1.021 323 V CA -1.159 61.168 62.300 0.046 0.000 0.848 323 V CB 1.515 33.362 31.823 0.040 0.000 0.998 323 V HN 0.310 nan 8.190 nan 0.000 0.424 324 N N 2.922 121.639 118.700 0.028 0.000 2.509 324 N HA 0.647 5.388 4.740 0.001 0.000 0.287 324 N C -0.181 175.351 175.510 0.037 0.000 1.121 324 N CA -0.052 53.017 53.050 0.032 0.000 0.977 324 N CB 1.990 40.491 38.487 0.024 0.000 1.167 324 N HN 0.865 nan 8.380 nan 0.000 0.476 325 T N -1.604 112.983 114.554 0.054 0.000 2.916 325 T HA 0.666 5.017 4.350 0.001 0.000 0.292 325 T C 1.083 175.828 174.700 0.075 0.000 1.064 325 T CA -0.318 61.815 62.100 0.054 0.000 1.011 325 T CB 1.182 70.080 68.868 0.049 0.000 1.152 325 T HN 0.349 nan 8.240 nan 0.000 0.510 326 A N 1.415 124.277 122.820 0.071 0.000 1.892 326 A HA -0.151 4.169 4.320 0.001 0.000 0.218 326 A C 2.192 179.818 177.584 0.070 0.000 1.188 326 A CA 2.422 54.505 52.037 0.077 0.000 0.631 326 A CB -1.580 17.458 19.000 0.063 0.000 0.822 326 A HN 0.891 nan 8.150 nan 0.000 0.447 327 N N -0.396 118.341 118.700 0.061 0.000 2.166 327 N HA -0.067 4.674 4.740 0.001 0.000 0.186 327 N C 1.453 177.005 175.510 0.070 0.000 1.019 327 N CA 1.636 54.721 53.050 0.058 0.000 0.856 327 N CB -0.322 38.197 38.487 0.052 0.000 0.993 327 N HN 0.533 nan 8.380 nan 0.000 0.426 328 I N -0.782 119.834 120.570 0.077 0.000 2.286 328 I HA -0.169 4.001 4.170 0.001 0.000 0.245 328 I C 1.887 178.074 176.117 0.116 0.000 1.104 328 I CA 0.394 61.747 61.300 0.089 0.000 1.397 328 I CB -0.030 38.013 38.000 0.072 0.000 1.072 328 I HN -0.026 nan 8.210 nan 0.000 0.417 329 V N 0.657 120.638 119.914 0.111 0.000 2.287 329 V HA -0.331 3.790 4.120 0.001 0.000 0.248 329 V C 2.445 178.602 176.094 0.105 0.000 1.053 329 V CA 2.252 64.624 62.300 0.119 0.000 1.027 329 V CB -0.649 31.248 31.823 0.123 0.000 0.646 329 V HN 0.482 nan 8.190 nan 0.000 0.447 330 E N 0.139 120.384 120.200 0.076 0.000 2.072 330 E HA -0.226 4.124 4.350 0.001 0.000 0.191 330 E C 2.113 178.748 176.600 0.059 0.000 0.985 330 E CA 1.336 57.767 56.400 0.051 0.000 0.801 330 E CB -0.061 29.664 29.700 0.041 0.000 0.750 330 E HN 0.572 nan 8.360 nan 0.000 0.452 331 N N -0.173 118.572 118.700 0.074 0.000 2.166 331 N HA -0.185 4.556 4.740 0.001 0.000 0.186 331 N C 1.566 177.127 175.510 0.085 0.000 1.019 331 N CA 1.036 54.126 53.050 0.067 0.000 0.856 331 N CB -0.471 38.058 38.487 0.070 0.000 0.993 331 N HN 0.309 nan 8.380 nan 0.000 0.426 332 Y N 1.365 121.668 120.300 0.006 0.000 2.263 332 Y HA 0.015 4.565 4.550 0.001 0.000 0.292 332 Y C 2.240 178.138 175.900 -0.002 0.000 1.130 332 Y CA 1.284 59.387 58.100 0.004 0.000 1.179 332 Y CB -0.341 38.127 38.460 0.013 0.000 0.998 332 Y HN 0.058 nan 8.280 nan 0.000 0.532 333 A N -0.693 122.195 122.820 0.113 0.000 1.908 333 A HA -0.206 4.114 4.320 0.001 0.000 0.218 333 A C 2.218 179.765 177.584 -0.061 0.000 1.181 333 A CA 2.427 54.470 52.037 0.011 0.000 0.627 333 A CB -1.270 17.743 19.000 0.021 0.000 0.818 333 A HN 0.493 nan 8.150 nan 0.000 0.445 334 T N -0.393 114.136 114.554 -0.041 0.000 2.809 334 T HA -0.036 4.314 4.350 0.001 0.000 0.260 334 T C 1.850 176.509 174.700 -0.069 0.000 1.039 334 T CA 1.219 63.295 62.100 -0.040 0.000 1.141 334 T CB -0.348 68.510 68.868 -0.016 0.000 0.869 334 T HN 0.276 nan 8.240 nan 0.000 0.437 335 L N 1.837 123.007 121.223 -0.088 0.000 2.013 335 L HA -0.126 4.214 4.340 0.001 0.000 0.212 335 L C 2.530 179.304 176.870 -0.160 0.000 1.073 335 L CA 2.292 57.066 54.840 -0.111 0.000 0.753 335 L CB -0.935 41.054 42.059 -0.117 0.000 0.890 335 L HN 0.444 nan 8.230 nan 0.000 0.432 336 T N -4.755 109.636 114.554 -0.271 0.000 3.060 336 T HA 0.115 4.466 4.350 0.001 0.000 0.249 336 T C 1.094 175.710 174.700 -0.140 0.000 1.079 336 T CA 0.148 62.095 62.100 -0.255 0.000 1.013 336 T CB -0.210 68.378 68.868 -0.466 0.000 0.975 336 T HN 0.351 nan 8.240 nan 0.000 0.518 337 R N 0.920 121.352 120.500 -0.113 0.000 3.525 337 R HA -0.124 4.217 4.340 0.001 0.000 0.276 337 R C -0.050 176.225 176.300 -0.042 0.000 1.116 337 R CA 0.516 56.580 56.100 -0.060 0.000 0.745 337 R CB -2.599 27.678 30.300 -0.039 0.000 1.185 337 R HN 0.435 nan 8.270 nan 0.000 0.454 338 S N 0.089 115.759 115.700 -0.050 0.000 2.642 338 S HA -0.116 4.354 4.470 0.001 0.000 0.308 338 S C 1.514 176.121 174.600 0.011 0.000 1.255 338 S CA 0.328 58.532 58.200 0.006 0.000 1.057 338 S CB 0.601 63.831 63.200 0.049 0.000 0.785 338 S HN 0.412 nan 8.310 nan 0.000 0.500 339 E N 2.532 122.748 120.200 0.026 0.000 2.150 339 E HA -0.098 4.253 4.350 0.001 0.000 0.193 339 E C 1.670 178.281 176.600 0.017 0.000 0.985 339 E CA 1.122 57.533 56.400 0.019 0.000 0.814 339 E CB 0.056 29.772 29.700 0.027 0.000 0.752 339 E HN 0.686 nan 8.360 nan 0.000 0.466 340 T N -0.064 114.508 114.554 0.031 0.000 3.035 340 T HA 0.105 4.456 4.350 0.001 0.000 0.259 340 T C 1.466 176.160 174.700 -0.009 0.000 1.078 340 T CA 0.299 62.414 62.100 0.025 0.000 1.132 340 T CB 0.248 69.153 68.868 0.062 0.000 0.900 340 T HN 0.060 nan 8.240 nan 0.000 0.480 341 L N 0.247 121.458 121.223 -0.020 0.000 2.554 341 L HA 0.226 4.566 4.340 0.001 0.000 0.225 341 L C 1.818 178.649 176.870 -0.065 0.000 1.104 341 L CA -0.092 54.692 54.840 -0.093 0.000 0.866 341 L CB -0.076 41.938 42.059 -0.075 0.000 1.047 341 L HN 0.190 nan 8.230 nan 0.000 0.468 342 L N 1.289 122.493 121.223 -0.031 0.000 2.079 342 L HA -0.095 4.245 4.340 0.001 0.000 0.210 342 L C -0.286 176.570 176.870 -0.023 0.000 1.081 342 L CA 2.125 56.951 54.840 -0.023 0.000 0.752 342 L CB -1.591 40.459 42.059 -0.015 0.000 0.896 342 L HN 0.118 nan 8.230 nan 0.000 0.433 343 P HA -0.134 nan 4.420 nan 0.000 0.221 343 P C 1.909 179.196 177.300 -0.022 0.000 1.145 343 P CA 1.200 64.289 63.100 -0.018 0.000 0.795 343 P CB 0.011 31.701 31.700 -0.016 0.000 0.775 344 L N -2.049 119.151 121.223 -0.039 0.000 2.270 344 L HA 0.013 4.354 4.340 0.001 0.000 0.210 344 L C 0.810 177.671 176.870 -0.014 0.000 1.104 344 L CA 0.072 54.893 54.840 -0.031 0.000 0.804 344 L CB -0.675 41.340 42.059 -0.074 0.000 0.937 344 L HN -0.234 nan 8.230 nan 0.000 0.450 345 V N 1.522 121.426 119.914 -0.016 0.000 2.720 345 V HA 0.051 4.171 4.120 0.001 0.000 0.307 345 V C 1.472 177.567 176.094 0.002 0.000 1.071 345 V CA 1.312 63.610 62.300 -0.004 0.000 1.199 345 V CB 0.216 32.036 31.823 -0.005 0.000 0.900 345 V HN 0.673 nan 8.190 nan 0.000 0.494 346 G N 3.441 112.246 108.800 0.009 0.000 2.168 346 G HA2 -0.230 3.730 3.960 0.001 0.000 0.263 346 G HA3 -0.230 3.730 3.960 0.001 0.000 0.263 346 G C 0.109 175.016 174.900 0.011 0.000 0.977 346 G CA 0.338 45.444 45.100 0.010 0.000 0.659 346 G HN 0.842 nan 8.290 nan 0.000 0.533 347 D N 0.003 120.412 120.400 0.014 0.000 2.446 347 D HA 0.342 4.982 4.640 0.001 0.000 0.251 347 D C 1.308 177.626 176.300 0.028 0.000 1.137 347 D CA -0.533 53.477 54.000 0.017 0.000 0.890 347 D CB 0.589 41.397 40.800 0.013 0.000 1.071 347 D HN 0.185 nan 8.370 nan 0.000 0.528 348 K N 2.154 122.572 120.400 0.029 0.000 2.015 348 K HA -0.232 4.088 4.320 0.001 0.000 0.216 348 K C 1.731 178.362 176.600 0.050 0.000 1.052 348 K CA 1.758 58.067 56.287 0.037 0.000 0.937 348 K CB 0.090 32.608 32.500 0.029 0.000 0.719 348 K HN 0.435 nan 8.250 nan 0.000 0.446 349 A N 1.237 124.084 122.820 0.044 0.000 1.902 349 A HA -0.199 4.121 4.320 0.001 0.000 0.217 349 A C 1.920 179.556 177.584 0.087 0.000 1.181 349 A CA 1.785 53.855 52.037 0.055 0.000 0.623 349 A CB -0.347 18.670 19.000 0.030 0.000 0.818 349 A HN 0.318 nan 8.150 nan 0.000 0.443 350 K N -0.514 119.927 120.400 0.069 0.000 2.097 350 K HA 0.011 4.331 4.320 0.001 0.000 0.205 350 K C 1.863 178.566 176.600 0.172 0.000 1.050 350 K CA 1.193 57.541 56.287 0.101 0.000 0.938 350 K CB -0.344 32.189 32.500 0.055 0.000 0.718 350 K HN 0.457 nan 8.250 nan 0.000 0.442 351 L N 1.049 122.344 121.223 0.120 0.000 2.017 351 L HA -0.227 4.114 4.340 0.001 0.000 0.208 351 L C 2.555 179.520 176.870 0.159 0.000 1.073 351 L CA 1.423 56.341 54.840 0.129 0.000 0.745 351 L CB -0.365 41.740 42.059 0.078 0.000 0.894 351 L HN 0.228 nan 8.230 nan 0.000 0.432 352 Q N -1.274 118.602 119.800 0.127 0.000 2.119 352 Q HA -0.237 4.103 4.340 0.001 0.000 0.201 352 Q C 2.234 178.295 176.000 0.102 0.000 0.972 352 Q CA 1.334 57.196 55.803 0.099 0.000 0.847 352 Q CB -0.205 28.580 28.738 0.078 0.000 0.903 352 Q HN 0.526 nan 8.270 nan 0.000 0.433 353 H N -0.352 118.756 119.070 0.065 0.000 2.357 353 H HA -0.168 4.388 4.556 0.001 0.000 0.301 353 H C 1.757 177.125 175.328 0.067 0.000 1.082 353 H CA 1.459 57.537 56.048 0.051 0.000 1.342 353 H CB -0.116 29.676 29.762 0.050 0.000 1.389 353 H HN 0.298 nan 8.280 nan 0.000 0.511 354 Y N 1.070 121.436 120.300 0.111 0.000 2.145 354 Y HA -0.204 4.347 4.550 0.001 0.000 0.286 354 Y C 2.842 178.732 175.900 -0.017 0.000 1.145 354 Y CA 2.177 60.315 58.100 0.064 0.000 1.148 354 Y CB -0.636 37.886 38.460 0.103 0.000 0.981 354 Y HN 0.293 nan 8.280 nan 0.000 0.507 355 A N 0.145 123.043 122.820 0.131 0.000 1.902 355 A HA -0.137 4.183 4.320 0.001 0.000 0.217 355 A C 2.296 179.833 177.584 -0.079 0.000 1.181 355 A CA 1.856 53.922 52.037 0.047 0.000 0.623 355 A CB -1.424 17.621 19.000 0.075 0.000 0.818 355 A HN 0.564 nan 8.150 nan 0.000 0.443 356 A N -2.427 120.318 122.820 -0.126 0.000 2.168 356 A HA 0.132 4.452 4.320 0.001 0.000 0.215 356 A C 1.925 179.355 177.584 -0.257 0.000 1.152 356 A CA 1.864 53.799 52.037 -0.171 0.000 0.716 356 A CB -0.389 18.514 19.000 -0.162 0.000 0.794 356 A HN 0.374 nan 8.150 nan 0.000 0.465 357 T N -1.107 113.260 114.554 -0.310 0.000 3.016 357 T HA 0.188 4.538 4.350 0.001 0.000 0.271 357 T C -0.257 174.295 174.700 -0.247 0.000 0.968 357 T CA 0.632 62.546 62.100 -0.309 0.000 0.891 357 T CB 0.218 68.820 68.868 -0.443 0.000 1.149 357 T HN 0.271 nan 8.240 nan 0.000 0.524 358 T N 3.954 118.340 114.554 -0.279 0.000 2.985 358 T HA 0.454 4.805 4.350 0.001 0.000 0.315 358 T C -2.923 171.711 174.700 -0.110 0.000 1.001 358 T CA -1.161 60.799 62.100 -0.234 0.000 1.016 358 T CB 2.086 70.570 68.868 -0.640 0.000 0.993 358 T HN -0.078 nan 8.240 nan 0.000 0.454 359 P HA 0.316 nan 4.420 nan 0.000 0.272 359 P C 1.040 178.315 177.300 -0.041 0.000 1.240 359 P CA -0.494 62.612 63.100 0.010 0.000 0.791 359 P CB 0.797 32.526 31.700 0.048 0.000 0.978 360 I N 0.813 121.359 120.570 -0.041 0.000 2.091 360 I HA -0.263 3.908 4.170 0.001 0.000 0.239 360 I C 2.428 178.460 176.117 -0.142 0.000 1.061 360 I CA 1.713 62.961 61.300 -0.088 0.000 1.317 360 I CB -0.616 37.348 38.000 -0.059 0.000 1.031 360 I HN 0.150 nan 8.210 nan 0.000 0.401 361 V N 1.132 120.971 119.914 -0.125 0.000 2.282 361 V HA -0.337 3.784 4.120 0.001 0.000 0.249 361 V C 1.978 177.935 176.094 -0.229 0.000 1.057 361 V CA 2.524 64.730 62.300 -0.158 0.000 1.032 361 V CB -0.539 31.206 31.823 -0.130 0.000 0.645 361 V HN 0.445 nan 8.190 nan 0.000 0.447 362 D N -0.839 119.399 120.400 -0.271 0.000 2.224 362 D HA -0.158 4.482 4.640 0.001 0.000 0.205 362 D C 2.009 178.014 176.300 -0.492 0.000 0.965 362 D CA 1.523 55.211 54.000 -0.521 0.000 0.852 362 D CB -0.137 40.369 40.800 -0.490 0.000 0.947 362 D HN 0.543 nan 8.370 nan 0.000 0.494 363 M N 1.164 120.677 119.600 -0.144 0.000 2.108 363 M HA -0.175 4.306 4.480 0.001 0.000 0.261 363 M C 2.260 178.499 176.300 -0.102 0.000 1.066 363 M CA 1.401 56.737 55.300 0.061 0.000 1.107 363 M CB 0.056 32.678 32.600 0.036 0.000 1.356 363 M HN -0.024 nan 8.290 nan 0.000 0.406 364 V N -0.459 119.305 119.914 -0.249 0.000 2.548 364 V HA -0.197 3.923 4.120 0.001 0.000 0.249 364 V C 2.225 178.257 176.094 -0.102 0.000 1.055 364 V CA 2.058 64.248 62.300 -0.184 0.000 1.065 364 V CB -0.786 30.919 31.823 -0.197 0.000 0.681 364 V HN 0.621 nan 8.190 nan 0.000 0.462 365 R N -0.523 119.855 120.500 -0.204 0.000 2.082 365 R HA -0.121 4.220 4.340 0.001 0.000 0.234 365 R C 2.247 178.547 176.300 0.001 0.000 1.136 365 R CA 2.573 58.559 56.100 -0.190 0.000 0.935 365 R CB -0.598 29.460 30.300 -0.402 0.000 0.842 365 R HN 0.619 nan 8.270 nan 0.000 0.430 366 F N -0.001 119.990 119.950 0.068 0.000 2.293 366 F HA -0.049 4.478 4.527 0.001 0.000 0.300 366 F C 0.750 176.626 175.800 0.126 0.000 1.086 366 F CA 0.156 58.218 58.000 0.105 0.000 1.375 366 F CB 0.235 39.319 39.000 0.140 0.000 1.045 366 F HN -0.010 nan 8.300 nan 0.000 0.516 367 S N 0.928 116.805 115.700 0.295 0.000 2.060 367 S HA 0.237 4.707 4.470 0.001 0.000 0.156 367 S C -2.577 172.184 174.600 0.267 0.000 1.690 367 S CA -1.331 57.038 58.200 0.282 0.000 1.238 367 S CB 0.067 63.463 63.200 0.326 0.000 1.150 367 S HN -0.123 nan 8.310 nan 0.000 0.437 368 P HA 0.383 nan 4.420 nan 0.000 0.265 368 P C -0.555 176.924 177.300 0.299 0.000 1.193 368 P CA 0.237 63.500 63.100 0.271 0.000 0.765 368 P CB 0.632 32.554 31.700 0.370 0.000 0.823 369 A N 2.546 125.547 122.820 0.303 0.000 2.594 369 A HA 0.292 4.612 4.320 0.001 0.000 0.296 369 A C -0.845 176.915 177.584 0.294 0.000 1.056 369 A CA -0.728 51.459 52.037 0.250 0.000 0.693 369 A CB 1.054 20.081 19.000 0.045 0.000 1.278 369 A HN 0.502 nan 8.150 nan 0.000 0.408 370 Q N 0.113 120.112 119.800 0.331 0.000 2.314 370 Q HA 0.466 4.806 4.340 0.001 0.000 0.258 370 Q C -1.468 174.603 176.000 0.117 0.000 0.954 370 Q CA -0.089 55.899 55.803 0.309 0.000 0.890 370 Q CB 1.268 30.155 28.738 0.248 0.000 1.210 370 Q HN 0.518 nan 8.270 nan 0.000 0.410 371 L N 2.107 123.384 121.223 0.090 0.000 2.439 371 L HA 0.273 4.613 4.340 0.001 0.000 0.270 371 L C -0.351 176.544 176.870 0.040 0.000 0.972 371 L CA 0.220 55.084 54.840 0.039 0.000 0.836 371 L CB 1.348 43.429 42.059 0.036 0.000 1.255 371 L HN 0.800 nan 8.230 nan 0.000 0.404 372 D N 2.199 122.616 120.400 0.027 0.000 2.362 372 D HA 0.422 5.062 4.640 0.001 0.000 0.238 372 D C 1.187 177.490 176.300 0.006 0.000 1.212 372 D CA 0.422 54.435 54.000 0.022 0.000 0.902 372 D CB 0.740 41.547 40.800 0.012 0.000 1.180 372 D HN 0.920 nan 8.370 nan 0.000 0.445 373 A N -0.451 122.370 122.820 0.002 0.000 1.969 373 A HA 0.260 4.580 4.320 0.001 0.000 0.218 373 A C 2.381 179.941 177.584 -0.040 0.000 1.169 373 A CA 2.476 54.503 52.037 -0.015 0.000 0.635 373 A CB -0.908 18.091 19.000 -0.003 0.000 0.810 373 A HN 1.035 nan 8.150 nan 0.000 0.445 374 E N -0.414 119.767 120.200 -0.030 0.000 2.107 374 E HA 0.164 4.515 4.350 0.001 0.000 0.191 374 E C 2.191 178.758 176.600 -0.054 0.000 0.982 374 E CA 1.552 57.926 56.400 -0.043 0.000 0.809 374 E CB -0.959 28.727 29.700 -0.023 0.000 0.756 374 E HN 0.918 nan 8.360 nan 0.000 0.459 375 A N 0.245 123.044 122.820 -0.035 0.000 1.968 375 A HA 0.157 4.478 4.320 0.001 0.000 0.217 375 A C 2.368 179.929 177.584 -0.039 0.000 1.169 375 A CA 1.221 53.240 52.037 -0.030 0.000 0.638 375 A CB -0.328 18.662 19.000 -0.017 0.000 0.812 375 A HN 0.485 nan 8.150 nan 0.000 0.446 376 L N -0.464 120.732 121.223 -0.044 0.000 2.017 376 L HA -0.147 4.193 4.340 0.001 0.000 0.208 376 L C 2.366 179.145 176.870 -0.152 0.000 1.073 376 L CA 1.765 56.573 54.840 -0.053 0.000 0.745 376 L CB -0.289 41.738 42.059 -0.053 0.000 0.894 376 L HN 0.409 nan 8.230 nan 0.000 0.432 377 I N -0.023 120.402 120.570 -0.242 0.000 2.394 377 I HA -0.325 3.845 4.170 0.001 0.000 0.251 377 I C 2.352 178.202 176.117 -0.445 0.000 1.136 377 I CA 1.196 62.176 61.300 -0.534 0.000 1.425 377 I CB -0.382 37.344 38.000 -0.456 0.000 1.079 377 I HN 0.469 nan 8.210 nan 0.000 0.425 378 N N 1.019 119.601 118.700 -0.196 0.000 2.166 378 N HA -0.201 4.539 4.740 0.001 0.000 0.186 378 N C 1.972 177.455 175.510 -0.046 0.000 1.019 378 N CA 1.044 54.042 53.050 -0.086 0.000 0.856 378 N CB 0.124 38.586 38.487 -0.043 0.000 0.993 378 N HN 0.214 nan 8.380 nan 0.000 0.426 379 L N 0.938 122.132 121.223 -0.049 0.000 2.217 379 L HA 0.117 4.458 4.340 0.001 0.000 0.211 379 L C 0.229 177.109 176.870 0.016 0.000 1.107 379 L CA 0.658 55.502 54.840 0.007 0.000 0.783 379 L CB -0.188 41.892 42.059 0.034 0.000 0.919 379 L HN 0.070 nan 8.230 nan 0.000 0.442 380 L N -0.210 120.988 121.223 -0.042 0.000 2.421 380 L HA 0.283 4.624 4.340 0.001 0.000 0.263 380 L C 0.393 177.393 176.870 0.217 0.000 1.122 380 L CA 0.032 54.908 54.840 0.060 0.000 0.804 380 L CB 0.755 42.793 42.059 -0.035 0.000 1.150 380 L HN 0.072 nan 8.230 nan 0.000 0.457 381 R N 2.270 122.925 120.500 0.258 0.000 2.308 381 R HA 0.323 4.663 4.340 0.001 0.000 0.305 381 R C -2.185 174.303 176.300 0.313 0.000 1.053 381 R CA -1.685 54.567 56.100 0.253 0.000 0.957 381 R CB 0.384 30.773 30.300 0.148 0.000 1.022 381 R HN 0.397 nan 8.270 nan 0.000 0.461 382 P HA -0.166 nan 4.420 nan 0.000 0.266 382 P C -0.505 176.779 177.300 -0.027 0.000 1.180 382 P CA -0.102 62.947 63.100 -0.086 0.000 0.765 382 P CB 0.355 32.025 31.700 -0.050 0.000 0.806 383 L N 3.193 124.355 121.223 -0.102 0.000 2.439 383 L HA 0.462 4.802 4.340 0.001 0.000 0.269 383 L C -0.210 176.672 176.870 0.020 0.000 1.179 383 L CA 0.884 55.699 54.840 -0.041 0.000 0.828 383 L CB -0.164 41.789 42.059 -0.177 0.000 1.106 383 L HN 0.283 nan 8.230 nan 0.000 0.467 384 T N 5.118 119.655 114.554 -0.029 0.000 2.903 384 T HA 0.625 4.976 4.350 0.001 0.000 0.299 384 T C -2.813 171.695 174.700 -0.320 0.000 1.093 384 T CA -0.934 61.035 62.100 -0.219 0.000 1.002 384 T CB 2.133 70.955 68.868 -0.077 0.000 1.127 384 T HN 0.664 nan 8.240 nan 0.000 0.488 385 P HA 0.493 nan 4.420 nan 0.000 0.276 385 P C -0.991 176.154 177.300 -0.260 0.000 1.244 385 P CA -0.674 62.100 63.100 -0.544 0.000 0.801 385 P CB 0.824 31.997 31.700 -0.878 0.000 1.006 386 R N 0.995 121.365 120.500 -0.217 0.000 2.474 386 R HA 0.552 4.892 4.340 0.001 0.000 0.295 386 R C -0.419 175.561 176.300 -0.532 0.000 0.980 386 R CA -0.906 54.973 56.100 -0.368 0.000 0.934 386 R CB 0.177 30.226 30.300 -0.419 0.000 1.101 386 R HN 0.354 nan 8.270 nan 0.000 0.469 387 L N 3.586 124.407 121.223 -0.669 0.000 2.289 387 L HA 0.414 4.755 4.340 0.001 0.000 0.285 387 L C -1.032 175.285 176.870 -0.922 0.000 1.049 387 L CA -0.478 53.989 54.840 -0.622 0.000 0.804 387 L CB 0.662 42.457 42.059 -0.439 0.000 1.195 387 L HN 0.523 nan 8.230 nan 0.000 0.428 388 Y N 1.172 121.271 120.300 -0.336 0.000 2.338 388 Y HA 0.381 4.931 4.550 0.001 0.000 0.333 388 Y C 0.680 176.399 175.900 -0.302 0.000 0.968 388 Y CA -0.748 57.160 58.100 -0.320 0.000 1.123 388 Y CB 1.753 40.064 38.460 -0.248 0.000 1.165 388 Y HN 0.512 nan 8.280 nan 0.000 0.452 389 S N 3.793 119.374 115.700 -0.198 0.000 2.558 389 S HA 0.124 4.594 4.470 0.001 0.000 0.293 389 S C 0.247 174.758 174.600 -0.149 0.000 1.292 389 S CA -0.179 57.899 58.200 -0.203 0.000 1.063 389 S CB 0.023 63.086 63.200 -0.228 0.000 0.831 389 S HN 0.452 nan 8.310 nan 0.000 0.499 390 I N 2.155 122.622 120.570 -0.172 0.000 2.529 390 I HA 0.159 4.329 4.170 0.001 0.000 0.284 390 I C 0.935 176.997 176.117 -0.092 0.000 1.082 390 I CA -0.048 61.143 61.300 -0.182 0.000 1.406 390 I CB 0.917 38.715 38.000 -0.337 0.000 1.405 390 I HN 0.771 nan 8.210 nan 0.000 0.548 391 A N 4.968 127.761 122.820 -0.045 0.000 2.545 391 A HA 0.370 4.690 4.320 0.001 0.000 0.277 391 A C 0.325 177.924 177.584 0.024 0.000 1.301 391 A CA -0.096 51.946 52.037 0.008 0.000 0.935 391 A CB -0.279 18.759 19.000 0.063 0.000 1.093 391 A HN 0.687 nan 8.150 nan 0.000 0.519 392 S N -1.436 114.274 115.700 0.017 0.000 2.661 392 S HA 0.733 5.203 4.470 0.001 0.000 0.285 392 S C -0.430 174.252 174.600 0.137 0.000 1.138 392 S CA -0.409 57.785 58.200 -0.009 0.000 0.855 392 S CB 1.525 64.563 63.200 -0.270 0.000 1.136 392 S HN 0.490 nan 8.310 nan 0.000 0.484 393 S N -0.305 115.448 115.700 0.089 0.000 2.473 393 S HA 0.314 4.785 4.470 0.001 0.000 0.307 393 S C 0.607 175.202 174.600 -0.009 0.000 1.094 393 S CA -0.622 57.632 58.200 0.090 0.000 1.070 393 S CB 1.308 64.538 63.200 0.050 0.000 1.019 393 S HN 0.720 nan 8.310 nan 0.000 0.480 394 Q N 2.884 122.603 119.800 -0.135 0.000 2.291 394 Q HA -0.067 4.273 4.340 0.001 0.000 0.205 394 Q C 2.182 178.118 176.000 -0.108 0.000 0.970 394 Q CA 1.276 56.968 55.803 -0.185 0.000 0.876 394 Q CB -0.242 28.270 28.738 -0.376 0.000 0.935 394 Q HN 0.892 nan 8.270 nan 0.000 0.455 395 A N 0.949 123.720 122.820 -0.082 0.000 1.972 395 A HA -0.230 4.091 4.320 0.001 0.000 0.219 395 A C 1.927 179.494 177.584 -0.029 0.000 1.169 395 A CA 1.739 53.747 52.037 -0.048 0.000 0.635 395 A CB -0.181 18.797 19.000 -0.035 0.000 0.810 395 A HN 0.236 nan 8.150 nan 0.000 0.446 396 E N -0.935 119.250 120.200 -0.024 0.000 2.099 396 E HA 0.129 4.479 4.350 0.001 0.000 0.191 396 E C 0.645 177.229 176.600 -0.028 0.000 0.962 396 E CA 0.524 56.915 56.400 -0.014 0.000 0.826 396 E CB -0.155 29.544 29.700 -0.001 0.000 0.788 396 E HN 0.181 nan 8.360 nan 0.000 0.461 397 V N 0.384 120.262 119.914 -0.060 0.000 3.109 397 V HA 0.232 4.353 4.120 0.001 0.000 0.317 397 V C 0.739 176.816 176.094 -0.029 0.000 1.074 397 V CA -0.115 62.141 62.300 -0.074 0.000 1.033 397 V CB 1.778 33.448 31.823 -0.256 0.000 1.111 397 V HN 0.263 nan 8.190 nan 0.000 0.458 398 E N 0.939 121.142 120.200 0.005 0.000 2.625 398 E HA 0.120 4.470 4.350 0.001 0.000 0.185 398 E C 0.294 176.893 176.600 -0.001 0.000 1.085 398 E CA 0.105 56.497 56.400 -0.013 0.000 1.137 398 E CB 0.096 29.795 29.700 -0.003 0.000 1.687 398 E HN 0.804 nan 8.360 nan 0.000 0.512 399 N N 2.058 120.772 118.700 0.024 0.000 3.052 399 N HA 0.066 4.806 4.740 0.001 0.000 0.302 399 N C -1.000 174.553 175.510 0.072 0.000 1.332 399 N CA 0.302 53.378 53.050 0.043 0.000 1.129 399 N CB 0.191 38.700 38.487 0.037 0.000 1.436 399 N HN 0.151 nan 8.380 nan 0.000 0.536 400 E N -0.447 119.811 120.200 0.097 0.000 2.340 400 E HA 0.455 4.805 4.350 0.001 0.000 0.273 400 E C -0.997 175.703 176.600 0.167 0.000 0.891 400 E CA -1.136 55.342 56.400 0.131 0.000 0.757 400 E CB 2.695 32.500 29.700 0.175 0.000 1.231 400 E HN 0.095 nan 8.360 nan 0.000 0.439 401 V N -0.119 119.881 119.914 0.143 0.000 2.628 401 V HA 0.514 4.634 4.120 0.001 0.000 0.306 401 V C -0.492 175.693 176.094 0.151 0.000 1.045 401 V CA -0.840 61.468 62.300 0.015 0.000 0.905 401 V CB 1.407 33.118 31.823 -0.186 0.000 0.997 401 V HN 0.680 nan 8.190 nan 0.000 0.436 402 H N 1.238 120.225 119.070 -0.137 0.000 2.679 402 H HA 0.886 5.443 4.556 0.001 0.000 0.367 402 H C -1.225 173.994 175.328 -0.181 0.000 1.162 402 H CA -0.958 54.990 56.048 -0.167 0.000 1.181 402 H CB 2.725 32.446 29.762 -0.068 0.000 1.693 402 H HN 0.524 nan 8.280 nan 0.000 0.538 403 V N 1.147 120.999 119.914 -0.103 0.000 3.120 403 V HA 0.197 4.318 4.120 0.001 0.000 0.303 403 V C -0.831 175.230 176.094 -0.055 0.000 1.238 403 V CA -0.596 61.650 62.300 -0.090 0.000 1.008 403 V CB 2.671 34.393 31.823 -0.169 0.000 1.064 403 V HN 0.862 nan 8.190 nan 0.000 0.434 404 T N 3.133 117.712 114.554 0.042 0.000 2.963 404 T HA 0.450 4.800 4.350 0.001 0.000 0.343 404 T C -0.610 174.119 174.700 0.048 0.000 1.146 404 T CA -0.228 61.949 62.100 0.128 0.000 1.016 404 T CB 0.841 69.897 68.868 0.314 0.000 1.046 404 T HN 0.340 nan 8.240 nan 0.000 0.496 405 V N 2.951 122.830 119.914 -0.059 0.000 2.350 405 V HA 0.576 4.697 4.120 0.001 0.000 0.276 405 V C 1.029 177.119 176.094 -0.006 0.000 1.028 405 V CA -0.827 61.407 62.300 -0.111 0.000 0.860 405 V CB 1.403 33.020 31.823 -0.343 0.000 0.990 405 V HN 0.918 nan 8.190 nan 0.000 0.453 406 G N 3.516 112.358 108.800 0.070 0.000 2.358 406 G HA2 0.391 4.351 3.960 0.001 0.000 0.273 406 G HA3 0.391 4.351 3.960 0.001 0.000 0.273 406 G C -0.296 174.633 174.900 0.048 0.000 1.215 406 G CA -0.179 44.965 45.100 0.072 0.000 0.910 406 G HN 0.746 nan 8.290 nan 0.000 0.467 407 V N 5.205 125.134 119.914 0.025 0.000 2.385 407 V HA 0.332 4.452 4.120 0.001 0.000 0.269 407 V C 0.220 176.338 176.094 0.040 0.000 1.043 407 V CA -0.579 61.730 62.300 0.015 0.000 0.906 407 V CB 0.857 32.670 31.823 -0.018 0.000 0.995 407 V HN 0.446 nan 8.190 nan 0.000 0.467 408 V N 9.008 128.955 119.914 0.054 0.000 2.446 408 V HA 0.389 4.510 4.120 0.001 0.000 0.276 408 V C 0.621 176.782 176.094 0.113 0.000 1.030 408 V CA 0.214 62.573 62.300 0.098 0.000 1.033 408 V CB -0.027 31.861 31.823 0.109 0.000 0.993 408 V HN 0.914 nan 8.190 nan 0.000 0.477 409 R N 4.880 125.466 120.500 0.143 0.000 2.621 409 R HA 0.701 5.041 4.340 0.001 0.000 0.284 409 R C -1.391 175.017 176.300 0.181 0.000 0.998 409 R CA -0.680 55.466 56.100 0.078 0.000 0.895 409 R CB 2.516 32.831 30.300 0.024 0.000 1.195 409 R HN 0.789 nan 8.270 nan 0.000 0.450 410 Y N -1.173 119.120 120.300 -0.011 0.000 2.788 410 Y HA 0.505 5.056 4.550 0.001 0.000 0.335 410 Y C -1.878 174.015 175.900 -0.011 0.000 1.287 410 Y CA -1.385 56.709 58.100 -0.010 0.000 1.068 410 Y CB 1.197 39.648 38.460 -0.015 0.000 1.340 410 Y HN 0.556 nan 8.280 nan 0.000 0.449 411 D N -0.128 120.340 120.400 0.114 0.000 2.596 411 D HA 0.530 5.171 4.640 0.001 0.000 0.234 411 D C -1.805 174.557 176.300 0.103 0.000 1.181 411 D CA -0.675 53.327 54.000 0.002 0.000 0.856 411 D CB 2.739 43.533 40.800 -0.010 0.000 1.498 411 D HN 0.538 nan 8.370 nan 0.000 0.446 412 V N 1.518 121.461 119.914 0.048 0.000 2.350 412 V HA 0.210 4.331 4.120 0.001 0.000 0.285 412 V C 0.376 176.520 176.094 0.082 0.000 1.014 412 V CA -0.476 61.884 62.300 0.100 0.000 0.831 412 V CB 0.627 32.508 31.823 0.096 0.000 1.000 412 V HN 0.831 nan 8.190 nan 0.000 0.433 413 E N 3.725 123.987 120.200 0.103 0.000 2.539 413 E HA -0.313 4.037 4.350 0.001 0.000 0.253 413 E C 1.313 177.944 176.600 0.051 0.000 1.145 413 E CA 0.676 57.130 56.400 0.090 0.000 0.738 413 E CB -1.207 28.576 29.700 0.137 0.000 1.308 413 E HN 1.465 nan 8.360 nan 0.000 0.409 414 G N 0.107 108.926 108.800 0.032 0.000 2.253 414 G HA2 -0.376 3.584 3.960 0.001 0.000 0.251 414 G HA3 -0.376 3.584 3.960 0.001 0.000 0.251 414 G C 0.263 175.156 174.900 -0.012 0.000 0.998 414 G CA 0.354 45.461 45.100 0.011 0.000 0.621 414 G HN 0.265 nan 8.290 nan 0.000 0.524 415 R N 1.241 121.727 120.500 -0.023 0.000 2.248 415 R HA 0.593 4.933 4.340 0.001 0.000 0.328 415 R C 0.758 177.000 176.300 -0.097 0.000 1.067 415 R CA 0.249 56.314 56.100 -0.058 0.000 0.924 415 R CB 1.030 31.287 30.300 -0.071 0.000 1.013 415 R HN 0.533 nan 8.270 nan 0.000 0.454 416 A N 4.473 127.231 122.820 -0.104 0.000 2.524 416 A HA 0.118 4.438 4.320 0.001 0.000 0.250 416 A C 0.022 177.465 177.584 -0.235 0.000 1.078 416 A CA 0.055 52.001 52.037 -0.151 0.000 0.761 416 A CB 0.262 19.197 19.000 -0.107 0.000 1.012 416 A HN 0.561 nan 8.150 nan 0.000 0.500 417 R N 0.578 120.826 120.500 -0.419 0.000 2.803 417 R HA 0.858 5.198 4.340 0.001 0.000 0.276 417 R C -0.458 175.500 176.300 -0.570 0.000 0.978 417 R CA -0.132 55.609 56.100 -0.598 0.000 0.939 417 R CB 1.992 31.652 30.300 -1.067 0.000 1.179 417 R HN 1.045 nan 8.270 nan 0.000 0.472 418 A N -0.020 122.602 122.820 -0.330 0.000 2.602 418 A HA 0.697 5.018 4.320 0.001 0.000 0.290 418 A C -0.446 177.128 177.584 -0.017 0.000 1.114 418 A CA -0.390 51.562 52.037 -0.141 0.000 0.683 418 A CB 1.518 20.460 19.000 -0.097 0.000 1.281 418 A HN 0.647 nan 8.150 nan 0.000 0.416 419 G N -0.337 108.483 108.800 0.033 0.000 2.432 419 G HA2 0.432 4.393 3.960 0.001 0.000 0.239 419 G HA3 0.432 4.393 3.960 0.001 0.000 0.239 419 G C 1.040 175.900 174.900 -0.066 0.000 1.291 419 G CA 0.462 45.564 45.100 0.004 0.000 0.863 419 G HN 1.503 nan 8.290 nan 0.000 0.560 420 G N 1.733 110.453 108.800 -0.134 0.000 2.484 420 G HA2 0.013 3.973 3.960 0.001 0.000 0.215 420 G HA3 0.013 3.973 3.960 0.001 0.000 0.215 420 G C 1.986 176.646 174.900 -0.401 0.000 1.219 420 G CA 1.704 46.692 45.100 -0.187 0.000 0.791 420 G HN 0.972 nan 8.290 nan 0.000 0.550 421 A N 0.862 123.187 122.820 -0.825 0.000 1.897 421 A HA 0.041 4.362 4.320 0.001 0.000 0.215 421 A C 2.731 180.265 177.584 -0.083 0.000 1.181 421 A CA 2.507 54.195 52.037 -0.582 0.000 0.620 421 A CB -0.663 18.038 19.000 -0.498 0.000 0.821 421 A HN 0.728 nan 8.150 nan 0.000 0.443 422 S N 0.351 116.010 115.700 -0.068 0.000 2.406 422 S HA -0.137 4.334 4.470 0.001 0.000 0.228 422 S C 2.045 176.618 174.600 -0.045 0.000 1.020 422 S CA 1.565 59.737 58.200 -0.047 0.000 0.965 422 S CB -0.680 62.519 63.200 -0.002 0.000 0.798 422 S HN 0.866 nan 8.310 nan 0.000 0.488 423 S N 0.907 116.595 115.700 -0.020 0.000 2.425 423 S HA 0.060 4.531 4.470 0.001 0.000 0.225 423 S C 1.553 176.169 174.600 0.027 0.000 1.024 423 S CA 0.263 58.456 58.200 -0.012 0.000 0.951 423 S CB -0.911 62.280 63.200 -0.015 0.000 0.796 423 S HN 0.467 nan 8.310 nan 0.000 0.498 424 F N 2.680 122.588 119.950 -0.070 0.000 2.069 424 F HA 0.020 4.548 4.527 0.001 0.000 0.298 424 F C 1.873 177.636 175.800 -0.061 0.000 1.113 424 F CA 1.514 59.492 58.000 -0.036 0.000 1.214 424 F CB -0.478 38.546 39.000 0.041 0.000 0.978 424 F HN 0.165 nan 8.300 nan 0.000 0.474 425 L N -0.264 120.904 121.223 -0.092 0.000 2.093 425 L HA -0.141 4.200 4.340 0.001 0.000 0.208 425 L C 2.713 179.444 176.870 -0.232 0.000 1.085 425 L CA 1.144 55.846 54.840 -0.230 0.000 0.755 425 L CB -1.012 40.939 42.059 -0.180 0.000 0.904 425 L HN 0.283 nan 8.230 nan 0.000 0.435 426 A N -0.956 121.768 122.820 -0.161 0.000 1.970 426 A HA -0.115 4.205 4.320 0.001 0.000 0.216 426 A C 1.549 179.054 177.584 -0.131 0.000 1.170 426 A CA 1.536 53.493 52.037 -0.135 0.000 0.645 426 A CB -0.052 18.890 19.000 -0.096 0.000 0.816 426 A HN 0.373 nan 8.150 nan 0.000 0.447 427 D N -2.120 118.197 120.400 -0.138 0.000 2.480 427 D HA 0.168 4.808 4.640 0.001 0.000 0.243 427 D C 1.076 177.290 176.300 -0.142 0.000 1.120 427 D CA 0.180 54.110 54.000 -0.117 0.000 0.835 427 D CB 0.447 41.201 40.800 -0.076 0.000 1.204 427 D HN 0.359 nan 8.370 nan 0.000 0.513 428 R N 0.224 120.594 120.500 -0.215 0.000 3.287 428 R HA 0.619 4.960 4.340 0.001 0.000 0.221 428 R C 0.613 176.701 176.300 -0.353 0.000 1.684 428 R CA -0.733 55.241 56.100 -0.210 0.000 0.976 428 R CB -0.278 29.965 30.300 -0.095 0.000 2.102 428 R HN -0.201 nan 8.270 nan 0.000 0.541 429 V N 1.401 121.129 119.914 -0.310 0.000 3.488 429 V HA -0.079 4.041 4.120 0.001 0.000 0.202 429 V C 0.083 175.632 176.094 -0.907 0.000 1.086 429 V CA 1.950 64.006 62.300 -0.408 0.000 1.167 429 V CB -2.164 29.642 31.823 -0.028 0.000 0.924 429 V HN 0.610 nan 8.190 nan 0.000 0.515 430 E N 1.997 121.839 120.200 -0.597 0.000 2.210 430 E HA 0.750 5.100 4.350 0.001 0.000 0.266 430 E C 0.011 176.488 176.600 -0.206 0.000 0.883 430 E CA 0.086 56.308 56.400 -0.297 0.000 0.761 430 E CB 0.996 30.562 29.700 -0.224 0.000 1.156 430 E HN 1.961 nan 8.360 nan 0.000 0.412 431 E N 0.715 120.834 120.200 -0.136 0.000 2.410 431 E HA 0.202 4.553 4.350 0.001 0.000 0.255 431 E C 0.380 176.929 176.600 -0.085 0.000 1.194 431 E CA 0.101 56.446 56.400 -0.092 0.000 0.955 431 E CB 0.088 29.751 29.700 -0.062 0.000 0.988 431 E HN 0.739 nan 8.360 nan 0.000 0.461 432 E N 0.091 120.250 120.200 -0.067 0.000 2.641 432 E HA 0.188 4.539 4.350 0.001 0.000 0.258 432 E C 0.138 176.713 176.600 -0.041 0.000 1.122 432 E CA 0.907 57.275 56.400 -0.055 0.000 1.034 432 E CB -1.263 28.410 29.700 -0.046 0.000 1.075 432 E HN 0.783 nan 8.360 nan 0.000 0.443 433 G N 2.397 111.175 108.800 -0.036 0.000 2.358 433 G HA2 -0.034 3.926 3.960 0.001 0.000 0.303 433 G HA3 -0.034 3.926 3.960 0.001 0.000 0.303 433 G C -1.323 173.568 174.900 -0.015 0.000 1.537 433 G CA -1.034 44.046 45.100 -0.032 0.000 0.928 433 G HN 0.262 nan 8.290 nan 0.000 0.656 434 E N -0.626 119.587 120.200 0.022 0.000 2.316 434 E HA 0.492 4.842 4.350 0.001 0.000 0.275 434 E C -0.388 176.286 176.600 0.123 0.000 1.029 434 E CA -0.231 56.211 56.400 0.070 0.000 0.871 434 E CB 1.776 31.544 29.700 0.112 0.000 1.022 434 E HN 0.356 nan 8.360 nan 0.000 0.418 435 V N 4.113 124.107 119.914 0.133 0.000 2.733 435 V HA 0.309 4.430 4.120 0.001 0.000 0.306 435 V C -0.398 175.805 176.094 0.183 0.000 1.084 435 V CA -0.885 61.538 62.300 0.205 0.000 0.905 435 V CB 1.970 33.882 31.823 0.148 0.000 1.010 435 V HN 0.628 nan 8.190 nan 0.000 0.424 436 R N 2.448 123.096 120.500 0.246 0.000 2.216 436 R HA 0.750 5.090 4.340 0.001 0.000 0.332 436 R C -0.879 175.626 176.300 0.343 0.000 1.056 436 R CA -0.146 56.113 56.100 0.264 0.000 0.901 436 R CB 1.532 31.995 30.300 0.272 0.000 1.039 436 R HN 0.514 nan 8.270 nan 0.000 0.456 437 V N 4.470 124.551 119.914 0.278 0.000 3.159 437 V HA 0.657 4.777 4.120 0.001 0.000 0.308 437 V C -1.246 175.020 176.094 0.286 0.000 1.190 437 V CA -0.698 61.716 62.300 0.189 0.000 1.037 437 V CB 2.205 34.061 31.823 0.054 0.000 1.060 437 V HN 0.698 nan 8.190 nan 0.000 0.437 438 F N 1.683 121.681 119.950 0.080 0.000 2.711 438 F HA 0.764 5.291 4.527 0.001 0.000 0.313 438 F C -1.542 174.260 175.800 0.004 0.000 1.141 438 F CA -1.210 56.840 58.000 0.084 0.000 0.941 438 F CB 1.185 40.281 39.000 0.159 0.000 1.349 438 F HN 0.172 nan 8.300 nan 0.000 0.464 439 I N 1.719 122.371 120.570 0.136 0.000 2.392 439 I HA 0.333 4.504 4.170 0.001 0.000 0.295 439 I C -0.559 175.497 176.117 -0.102 0.000 0.985 439 I CA -0.400 60.811 61.300 -0.148 0.000 1.221 439 I CB 1.405 39.264 38.000 -0.235 0.000 1.366 439 I HN 0.722 nan 8.210 nan 0.000 0.467 440 E N 5.246 125.324 120.200 -0.204 0.000 2.070 440 E HA 0.266 4.617 4.350 0.001 0.000 0.261 440 E C -0.743 175.789 176.600 -0.113 0.000 0.926 440 E CA -0.427 55.947 56.400 -0.043 0.000 0.760 440 E CB 0.197 29.868 29.700 -0.048 0.000 1.133 440 E HN 0.388 nan 8.360 nan 0.000 0.420 441 H N 2.725 121.863 119.070 0.113 0.000 2.815 441 H HA 0.252 4.809 4.556 0.001 0.000 0.350 441 H C -0.129 175.259 175.328 0.100 0.000 1.080 441 H CA 0.241 56.355 56.048 0.110 0.000 1.433 441 H CB 0.649 30.480 29.762 0.116 0.000 1.432 441 H HN 0.296 nan 8.280 nan 0.000 0.592 442 N N 1.950 120.784 118.700 0.224 0.000 2.664 442 N HA 0.050 4.791 4.740 0.001 0.000 0.257 442 N C -0.581 175.068 175.510 0.233 0.000 1.108 442 N CA -0.411 52.756 53.050 0.196 0.000 0.822 442 N CB 0.620 39.198 38.487 0.152 0.000 1.199 442 N HN 0.546 nan 8.380 nan 0.000 0.529 443 D N 0.696 121.216 120.400 0.200 0.000 2.348 443 D HA -0.002 4.638 4.640 0.001 0.000 0.216 443 D C 0.134 176.546 176.300 0.186 0.000 0.970 443 D CA 0.577 54.683 54.000 0.178 0.000 0.889 443 D CB 0.362 41.240 40.800 0.131 0.000 0.912 443 D HN 0.455 nan 8.370 nan 0.000 0.524 444 N N 0.008 118.832 118.700 0.206 0.000 2.322 444 N HA 0.012 4.752 4.740 0.001 0.000 0.216 444 N C -0.586 175.126 175.510 0.336 0.000 1.144 444 N CA -0.024 53.153 53.050 0.213 0.000 0.830 444 N CB 0.284 38.871 38.487 0.166 0.000 1.034 444 N HN 0.093 nan 8.380 nan 0.000 0.484 445 F N 1.285 121.370 119.950 0.225 0.000 3.050 445 F HA 0.358 4.885 4.527 0.001 0.000 0.382 445 F C -0.844 175.199 175.800 0.406 0.000 1.246 445 F CA -0.659 57.543 58.000 0.337 0.000 1.217 445 F CB 0.535 39.682 39.000 0.246 0.000 1.795 445 F HN -0.311 nan 8.300 nan 0.000 0.622 446 R N 3.612 124.297 120.500 0.309 0.000 2.698 446 R HA 0.504 4.844 4.340 0.001 0.000 0.275 446 R C -1.019 175.241 176.300 -0.066 0.000 1.001 446 R CA -0.994 55.199 56.100 0.155 0.000 0.896 446 R CB 2.346 32.724 30.300 0.130 0.000 1.218 446 R HN 0.543 nan 8.270 nan 0.000 0.462 447 L N 2.522 123.444 121.223 -0.500 0.000 2.476 447 L HA 0.229 4.570 4.340 0.001 0.000 0.264 447 L C -1.623 175.117 176.870 -0.217 0.000 1.224 447 L CA -1.429 53.053 54.840 -0.596 0.000 0.821 447 L CB 0.194 41.847 42.059 -0.676 0.000 1.101 447 L HN 0.251 nan 8.230 nan 0.000 0.488 448 P HA 0.029 nan 4.420 nan 0.000 0.263 448 P C -0.851 176.357 177.300 -0.153 0.000 1.195 448 P CA -0.162 62.760 63.100 -0.297 0.000 0.762 448 P CB 0.540 31.952 31.700 -0.480 0.000 0.799 449 A N 3.127 125.905 122.820 -0.070 0.000 2.567 449 A HA 0.368 4.689 4.320 0.001 0.000 0.240 449 A C 0.948 178.495 177.584 -0.061 0.000 1.053 449 A CA 0.821 52.827 52.037 -0.051 0.000 0.755 449 A CB -1.560 17.432 19.000 -0.014 0.000 0.978 449 A HN 0.972 nan 8.150 nan 0.000 0.507 450 N N 2.251 120.914 118.700 -0.060 0.000 3.992 450 N HA 0.047 4.787 4.740 0.001 0.000 0.274 450 N C -1.896 173.564 175.510 -0.084 0.000 0.944 450 N CA 0.028 53.042 53.050 -0.061 0.000 0.725 450 N CB -2.188 36.265 38.487 -0.057 0.000 1.396 450 N HN 0.542 nan 8.380 nan 0.000 0.592 451 P HA 0.057 nan 4.420 nan 0.000 0.242 451 P C 0.560 177.823 177.300 -0.061 0.000 1.197 451 P CA 1.179 64.241 63.100 -0.064 0.000 0.765 451 P CB 0.285 31.956 31.700 -0.047 0.000 0.936 452 E N -1.274 118.888 120.200 -0.064 0.000 2.431 452 E HA 0.061 4.411 4.350 0.001 0.000 0.200 452 E C 0.081 176.632 176.600 -0.080 0.000 0.995 452 E CA 0.174 56.534 56.400 -0.067 0.000 0.915 452 E CB 0.104 29.769 29.700 -0.058 0.000 0.930 452 E HN 0.127 nan 8.360 nan 0.000 0.496 453 T N 3.977 118.482 114.554 -0.081 0.000 2.870 453 T HA 0.125 4.475 4.350 0.001 0.000 0.300 453 T C -2.476 172.191 174.700 -0.056 0.000 0.989 453 T CA -1.252 60.804 62.100 -0.073 0.000 1.139 453 T CB 0.799 69.601 68.868 -0.111 0.000 0.920 453 T HN -0.069 nan 8.240 nan 0.000 0.537 454 P HA 0.215 nan 4.420 nan 0.000 0.268 454 P C -0.679 176.771 177.300 0.249 0.000 1.204 454 P CA -0.394 62.714 63.100 0.013 0.000 0.768 454 P CB 0.435 32.044 31.700 -0.151 0.000 0.842 455 V N 3.738 123.879 119.914 0.378 0.000 2.604 455 V HA 0.610 4.731 4.120 0.001 0.000 0.305 455 V C -0.948 175.460 176.094 0.524 0.000 1.043 455 V CA -0.870 61.702 62.300 0.454 0.000 0.888 455 V CB 1.415 33.478 31.823 0.401 0.000 0.995 455 V HN 0.286 nan 8.190 nan 0.000 0.429 456 I N 6.759 127.587 120.570 0.430 0.000 2.362 456 I HA 0.527 4.697 4.170 0.001 0.000 0.289 456 I C -0.112 176.068 176.117 0.106 0.000 0.994 456 I CA -0.322 61.106 61.300 0.214 0.000 1.158 456 I CB 1.767 39.793 38.000 0.043 0.000 1.315 456 I HN 0.544 nan 8.210 nan 0.000 0.451 457 M N 7.561 127.092 119.600 -0.114 0.000 2.190 457 M HA 0.524 5.004 4.480 0.001 0.000 0.312 457 M C -0.982 175.029 176.300 -0.481 0.000 0.990 457 M CA -0.320 54.607 55.300 -0.622 0.000 0.927 457 M CB 2.151 34.150 32.600 -1.001 0.000 1.571 457 M HN 0.396 nan 8.290 nan 0.000 0.427 458 I N 2.673 123.048 120.570 -0.326 0.000 2.428 458 I HA 0.514 4.684 4.170 0.001 0.000 0.279 458 I C 0.253 176.528 176.117 0.264 0.000 1.040 458 I CA -0.416 60.868 61.300 -0.026 0.000 1.171 458 I CB 1.401 39.355 38.000 -0.077 0.000 1.312 458 I HN 0.867 nan 8.210 nan 0.000 0.470 459 G N 7.028 116.045 108.800 0.363 0.000 3.446 459 G HA2 0.459 4.419 3.960 0.001 0.000 0.314 459 G HA3 0.459 4.419 3.960 0.001 0.000 0.314 459 G C -3.078 172.032 174.900 0.350 0.000 1.539 459 G CA -1.039 44.369 45.100 0.514 0.000 0.848 459 G HN 0.181 nan 8.290 nan 0.000 0.488 460 P HA 0.391 nan 4.420 nan 0.000 0.274 460 P C 1.230 178.535 177.300 0.008 0.000 1.237 460 P CA 1.105 64.094 63.100 -0.185 0.000 0.793 460 P CB 1.377 32.947 31.700 -0.217 0.000 0.977 461 G N 1.638 110.407 108.800 -0.052 0.000 2.611 461 G HA2 -0.342 3.618 3.960 0.001 0.000 0.301 461 G HA3 -0.342 3.618 3.960 0.001 0.000 0.301 461 G C 1.065 176.184 174.900 0.366 0.000 1.233 461 G CA 1.201 46.419 45.100 0.197 0.000 0.993 461 G HN 0.696 nan 8.290 nan 0.000 0.553 462 T N -0.994 113.725 114.554 0.275 0.000 3.118 462 T HA 0.302 4.653 4.350 0.001 0.000 0.260 462 T C 2.328 177.200 174.700 0.286 0.000 1.139 462 T CA 1.384 63.659 62.100 0.291 0.000 1.085 462 T CB -0.211 68.809 68.868 0.254 0.000 0.934 462 T HN 1.758 nan 8.240 nan 0.000 0.518 463 G N 1.149 110.101 108.800 0.253 0.000 2.653 463 G HA2 -0.010 3.951 3.960 0.001 0.000 0.212 463 G HA3 -0.010 3.951 3.960 0.001 0.000 0.212 463 G C 1.256 176.265 174.900 0.183 0.000 1.138 463 G CA 0.109 45.316 45.100 0.178 0.000 0.782 463 G HN 0.596 nan 8.290 nan 0.000 0.535 464 I N 0.312 121.087 120.570 0.342 0.000 2.928 464 I HA 0.021 4.192 4.170 0.001 0.000 0.266 464 I C 2.869 179.115 176.117 0.215 0.000 1.234 464 I CA 0.657 62.196 61.300 0.399 0.000 1.483 464 I CB -0.066 38.246 38.000 0.520 0.000 1.097 464 I HN 0.259 nan 8.210 nan 0.000 0.455 465 A N 2.850 125.751 122.820 0.136 0.000 1.873 465 A HA -0.223 4.098 4.320 0.001 0.000 0.219 465 A C -0.105 177.412 177.584 -0.112 0.000 1.269 465 A CA 2.540 54.607 52.037 0.050 0.000 0.671 465 A CB -2.393 16.624 19.000 0.028 0.000 0.842 465 A HN 0.368 nan 8.150 nan 0.000 0.460 466 P HA -0.108 nan 4.420 nan 0.000 0.222 466 P C 0.913 177.933 177.300 -0.466 0.000 1.147 466 P CA 0.997 63.832 63.100 -0.442 0.000 0.790 466 P CB -0.232 31.058 31.700 -0.684 0.000 0.780 467 F N 0.385 120.265 119.950 -0.116 0.000 2.416 467 F HA 0.124 4.651 4.527 0.001 0.000 0.296 467 F C 2.791 178.749 175.800 0.264 0.000 1.099 467 F CA 0.218 58.190 58.000 -0.047 0.000 1.427 467 F CB -1.272 37.724 39.000 -0.007 0.000 1.079 467 F HN -0.139 nan 8.300 nan 0.000 0.536 468 R N 0.847 121.600 120.500 0.422 0.000 2.092 468 R HA -0.075 4.265 4.340 0.001 0.000 0.231 468 R C 2.318 178.698 176.300 0.132 0.000 1.119 468 R CA 1.196 57.438 56.100 0.238 0.000 0.970 468 R CB -0.394 29.873 30.300 -0.054 0.000 0.864 468 R HN 0.176 nan 8.270 nan 0.000 0.440 469 A N 0.539 123.440 122.820 0.135 0.000 1.908 469 A HA -0.170 4.151 4.320 0.001 0.000 0.218 469 A C 1.861 179.638 177.584 0.322 0.000 1.181 469 A CA 1.264 53.418 52.037 0.194 0.000 0.627 469 A CB -0.647 18.475 19.000 0.204 0.000 0.818 469 A HN 0.373 nan 8.150 nan 0.000 0.445 470 F N -1.073 118.943 119.950 0.109 0.000 2.163 470 F HA -0.047 4.480 4.527 0.001 0.000 0.297 470 F C 2.409 178.218 175.800 0.014 0.000 1.094 470 F CA 0.935 58.978 58.000 0.072 0.000 1.290 470 F CB -0.587 38.482 39.000 0.115 0.000 1.017 470 F HN 0.107 nan 8.300 nan 0.000 0.483 471 M N -0.374 119.341 119.600 0.191 0.000 2.200 471 M HA -0.120 4.360 4.480 0.001 0.000 0.265 471 M C 2.056 178.266 176.300 -0.150 0.000 1.066 471 M CA 1.167 56.397 55.300 -0.117 0.000 1.127 471 M CB -1.439 30.919 32.600 -0.404 0.000 1.379 471 M HN 0.224 nan 8.290 nan 0.000 0.420 472 Q N -0.464 119.341 119.800 0.007 0.000 2.124 472 Q HA -0.247 4.093 4.340 0.001 0.000 0.202 472 Q C 2.135 178.166 176.000 0.052 0.000 0.977 472 Q CA 1.571 57.422 55.803 0.080 0.000 0.850 472 Q CB -0.143 28.642 28.738 0.078 0.000 0.901 472 Q HN 0.452 nan 8.270 nan 0.000 0.429 473 Q N 0.870 120.696 119.800 0.044 0.000 2.020 473 Q HA -0.084 4.256 4.340 0.001 0.000 0.198 473 Q C 1.775 177.771 176.000 -0.007 0.000 0.974 473 Q CA 1.505 57.316 55.803 0.014 0.000 0.829 473 Q CB 0.073 28.811 28.738 0.001 0.000 0.894 473 Q HN 0.158 nan 8.270 nan 0.000 0.433 474 R N -0.478 120.013 120.500 -0.015 0.000 2.148 474 R HA 0.028 4.368 4.340 0.001 0.000 0.227 474 R C 2.079 178.382 176.300 0.004 0.000 1.103 474 R CA 0.863 56.950 56.100 -0.021 0.000 0.983 474 R CB -0.227 30.058 30.300 -0.024 0.000 0.874 474 R HN 0.330 nan 8.270 nan 0.000 0.451 475 A N 1.153 123.987 122.820 0.023 0.000 1.874 475 A HA 0.013 4.333 4.320 0.001 0.000 0.214 475 A C 2.349 179.967 177.584 0.055 0.000 1.189 475 A CA 1.260 53.341 52.037 0.074 0.000 0.615 475 A CB -0.472 18.637 19.000 0.182 0.000 0.830 475 A HN 0.327 nan 8.150 nan 0.000 0.443 476 A N 0.059 122.906 122.820 0.045 0.000 1.940 476 A HA -0.182 4.138 4.320 0.001 0.000 0.219 476 A C 1.522 179.112 177.584 0.010 0.000 1.176 476 A CA 1.891 53.943 52.037 0.025 0.000 0.631 476 A CB -0.481 18.527 19.000 0.015 0.000 0.814 476 A HN 0.429 nan 8.150 nan 0.000 0.446 477 D N -0.077 120.324 120.400 0.001 0.000 2.340 477 D HA 0.047 4.688 4.640 0.001 0.000 0.220 477 D C -0.039 176.258 176.300 -0.004 0.000 1.039 477 D CA 0.539 54.534 54.000 -0.008 0.000 0.866 477 D CB -0.057 40.730 40.800 -0.022 0.000 0.913 477 D HN 0.484 nan 8.370 nan 0.000 0.523 478 E N -0.801 119.403 120.200 0.008 0.000 2.586 478 E HA -0.223 4.127 4.350 0.001 0.000 0.259 478 E C 0.093 176.693 176.600 0.000 0.000 1.107 478 E CA 0.690 57.096 56.400 0.010 0.000 0.754 478 E CB -2.326 27.378 29.700 0.007 0.000 1.335 478 E HN 0.346 nan 8.360 nan 0.000 0.411 479 A N 1.371 124.187 122.820 -0.007 0.000 2.511 479 A HA 0.312 4.633 4.320 0.001 0.000 0.242 479 A C -0.515 177.062 177.584 -0.011 0.000 1.069 479 A CA -0.412 51.614 52.037 -0.019 0.000 0.763 479 A CB 0.290 19.271 19.000 -0.033 0.000 1.001 479 A HN -0.002 nan 8.150 nan 0.000 0.498 480 P HA 0.100 nan 4.420 nan 0.000 0.245 480 P C 0.917 178.196 177.300 -0.034 0.000 1.203 480 P CA 0.626 63.713 63.100 -0.021 0.000 0.792 480 P CB -0.113 31.572 31.700 -0.025 0.000 0.997 481 G N 0.844 109.619 108.800 -0.042 0.000 2.568 481 G HA2 0.292 4.252 3.960 0.001 0.000 0.231 481 G HA3 0.292 4.252 3.960 0.001 0.000 0.231 481 G C 0.149 175.028 174.900 -0.035 0.000 1.261 481 G CA -0.009 45.056 45.100 -0.059 0.000 0.855 481 G HN 0.496 nan 8.290 nan 0.000 0.576 482 K N 1.444 121.788 120.400 -0.094 0.000 2.249 482 K HA 0.431 4.751 4.320 0.001 0.000 0.280 482 K C 0.092 176.831 176.600 0.232 0.000 1.033 482 K CA -0.627 55.631 56.287 -0.048 0.000 0.946 482 K CB 0.444 32.679 32.500 -0.441 0.000 1.005 482 K HN 0.685 nan 8.250 nan 0.000 0.469 483 N N 0.906 119.826 118.700 0.366 0.000 2.314 483 N HA 0.392 5.133 4.740 0.001 0.000 0.294 483 N C -1.624 174.174 175.510 0.480 0.000 1.029 483 N CA -0.475 52.822 53.050 0.413 0.000 0.845 483 N CB 1.639 40.269 38.487 0.238 0.000 1.321 483 N HN 0.739 nan 8.380 nan 0.000 0.481 484 W N 3.319 124.731 121.300 0.187 0.000 2.683 484 W HA 0.479 5.139 4.660 0.001 0.000 0.329 484 W C -1.605 174.850 176.519 -0.106 0.000 1.037 484 W CA -1.004 56.299 57.345 -0.071 0.000 1.232 484 W CB 0.842 30.073 29.460 -0.382 0.000 1.390 484 W HN 0.308 nan 8.180 nan 0.000 0.465 485 L N 6.643 127.979 121.223 0.188 0.000 2.296 485 L HA 0.579 4.919 4.340 0.001 0.000 0.286 485 L C -1.483 175.284 176.870 -0.173 0.000 1.023 485 L CA -0.311 54.490 54.840 -0.064 0.000 0.812 485 L CB 0.641 42.559 42.059 -0.235 0.000 1.223 485 L HN 0.184 nan 8.230 nan 0.000 0.421 486 F N 6.079 125.914 119.950 -0.193 0.000 2.385 486 F HA 0.488 5.016 4.527 0.001 0.000 0.360 486 F C -0.335 175.410 175.800 -0.091 0.000 1.122 486 F CA -0.140 57.753 58.000 -0.178 0.000 1.090 486 F CB 1.182 40.017 39.000 -0.275 0.000 1.150 486 F HN 0.378 nan 8.300 nan 0.000 0.472 487 F N 1.783 121.630 119.950 -0.172 0.000 2.603 487 F HA 0.895 5.422 4.527 0.001 0.000 0.317 487 F C -0.367 175.205 175.800 -0.380 0.000 1.066 487 F CA -0.858 57.015 58.000 -0.211 0.000 0.941 487 F CB 2.202 41.056 39.000 -0.243 0.000 1.291 487 F HN 0.493 nan 8.300 nan 0.000 0.472 488 G N 2.676 110.459 108.800 -1.696 0.000 2.673 488 G HA2 0.540 4.500 3.960 0.001 0.000 0.292 488 G HA3 0.540 4.500 3.960 0.001 0.000 0.292 488 G C -2.277 171.944 174.900 -1.132 0.000 1.450 488 G CA -0.714 43.634 45.100 -1.253 0.000 0.837 488 G HN 0.766 nan 8.290 nan 0.000 0.505 489 N N -0.828 117.545 118.700 -0.545 0.000 4.016 489 N HA 0.312 5.052 4.740 0.001 0.000 0.227 489 N C -2.395 173.199 175.510 0.140 0.000 1.337 489 N CA -0.769 52.231 53.050 -0.082 0.000 0.817 489 N CB 1.695 40.293 38.487 0.186 0.000 1.469 489 N HN 0.136 nan 8.380 nan 0.000 0.448 490 P HA -0.007 nan 4.420 nan 0.000 0.213 490 P C -0.488 176.672 177.300 -0.234 0.000 1.170 490 P CA 1.654 64.677 63.100 -0.129 0.000 0.893 490 P CB 0.098 31.668 31.700 -0.216 0.000 0.784 491 H N -2.392 116.814 119.070 0.226 0.000 2.589 491 H HA 0.124 4.681 4.556 0.001 0.000 0.335 491 H C 0.502 175.617 175.328 -0.355 0.000 1.019 491 H CA -0.960 55.107 56.048 0.032 0.000 1.213 491 H CB 1.035 30.789 29.762 -0.012 0.000 1.472 491 H HN -0.075 nan 8.280 nan 0.000 0.508 492 F N 3.185 122.537 119.950 -0.996 0.000 2.115 492 F HA -0.269 4.258 4.527 0.001 0.000 0.300 492 F C 1.915 177.363 175.800 -0.585 0.000 1.092 492 F CA 1.891 58.900 58.000 -1.653 0.000 1.245 492 F CB -0.102 38.185 39.000 -1.188 0.000 0.995 492 F HN 0.434 nan 8.300 nan 0.000 0.481 493 T N -0.761 113.571 114.554 -0.369 0.000 3.100 493 T HA 0.005 4.355 4.350 0.001 0.000 0.253 493 T C 1.391 175.971 174.700 -0.201 0.000 1.118 493 T CA 0.970 62.889 62.100 -0.303 0.000 1.058 493 T CB 0.008 68.822 68.868 -0.089 0.000 0.953 493 T HN 0.280 nan 8.240 nan 0.000 0.515 494 E N 0.087 120.224 120.200 -0.104 0.000 2.467 494 E HA 0.135 4.485 4.350 0.001 0.000 0.213 494 E C 0.289 176.926 176.600 0.062 0.000 0.823 494 E CA 0.298 56.690 56.400 -0.014 0.000 1.233 494 E CB 0.459 30.196 29.700 0.061 0.000 1.233 494 E HN 0.344 nan 8.360 nan 0.000 0.585 495 D N 0.112 120.591 120.400 0.132 0.000 2.538 495 D HA 0.089 4.729 4.640 0.001 0.000 0.231 495 D C -0.335 176.307 176.300 0.570 0.000 1.229 495 D CA -0.277 53.908 54.000 0.309 0.000 0.828 495 D CB 0.066 41.069 40.800 0.340 0.000 1.035 495 D HN 0.045 nan 8.370 nan 0.000 0.495 496 F N 2.713 122.793 119.950 0.215 0.000 2.679 496 F HA 0.173 4.700 4.527 0.001 0.000 0.351 496 F C 0.308 176.187 175.800 0.132 0.000 1.279 496 F CA -0.723 57.484 58.000 0.346 0.000 1.227 496 F CB -0.103 38.938 39.000 0.069 0.000 1.623 496 F HN -0.269 nan 8.300 nan 0.000 0.666 497 L N 5.914 127.368 121.223 0.385 0.000 2.601 497 L HA -0.126 4.215 4.340 0.001 0.000 0.277 497 L C -0.028 176.960 176.870 0.196 0.000 1.219 497 L CA 0.347 55.233 54.840 0.076 0.000 0.915 497 L CB -0.463 41.633 42.059 0.061 0.000 1.160 497 L HN 0.662 nan 8.230 nan 0.000 0.494 498 Y N 0.353 120.651 120.300 -0.004 0.000 4.366 498 Y HA -0.322 4.229 4.550 0.001 0.000 0.236 498 Y C 1.760 177.418 175.900 -0.404 0.000 1.142 498 Y CA 0.895 58.863 58.100 -0.219 0.000 2.024 498 Y CB -1.681 36.610 38.460 -0.281 0.000 1.621 498 Y HN 0.712 nan 8.280 nan 0.000 0.694 499 Q N 1.194 120.814 119.800 -0.301 0.000 2.096 499 Q HA -0.257 4.083 4.340 0.001 0.000 0.208 499 Q C 2.230 177.966 176.000 -0.440 0.000 0.993 499 Q CA 3.018 58.384 55.803 -0.729 0.000 0.862 499 Q CB -0.110 28.061 28.738 -0.945 0.000 0.915 499 Q HN 0.714 nan 8.270 nan 0.000 0.416 500 V N -2.327 117.397 119.914 -0.317 0.000 3.041 500 V HA -0.104 4.016 4.120 0.001 0.000 0.260 500 V C 1.520 177.445 176.094 -0.282 0.000 1.105 500 V CA 1.642 63.797 62.300 -0.242 0.000 1.125 500 V CB -0.432 31.276 31.823 -0.191 0.000 0.730 500 V HN 0.296 nan 8.190 nan 0.000 0.479 501 E N 0.197 120.158 120.200 -0.398 0.000 2.047 501 E HA -0.171 4.179 4.350 0.001 0.000 0.191 501 E C 1.884 178.216 176.600 -0.446 0.000 0.987 501 E CA 1.836 57.893 56.400 -0.571 0.000 0.799 501 E CB -0.316 28.957 29.700 -0.712 0.000 0.752 501 E HN 0.813 nan 8.360 nan 0.000 0.449 502 W N 1.788 123.096 121.300 0.012 0.000 2.363 502 W HA -0.153 4.507 4.660 0.001 0.000 0.296 502 W C 2.439 179.016 176.519 0.097 0.000 1.212 502 W CA 0.579 58.024 57.345 0.167 0.000 1.260 502 W CB -0.238 29.348 29.460 0.209 0.000 1.131 502 W HN 0.087 nan 8.180 nan 0.000 0.530 503 Q N 0.487 120.361 119.800 0.123 0.000 2.050 503 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 503 Q C 2.229 178.248 176.000 0.031 0.000 0.980 503 Q CA 1.610 57.466 55.803 0.087 0.000 0.840 503 Q CB -0.407 28.338 28.738 0.012 0.000 0.898 503 Q HN 0.371 nan 8.270 nan 0.000 0.424 504 R N -0.384 120.056 120.500 -0.100 0.000 2.115 504 R HA -0.117 4.223 4.340 0.001 0.000 0.230 504 R C 1.944 178.201 176.300 -0.072 0.000 1.111 504 R CA 1.198 57.215 56.100 -0.138 0.000 0.976 504 R CB -0.349 29.797 30.300 -0.258 0.000 0.870 504 R HN 0.406 nan 8.270 nan 0.000 0.445 505 Y N 0.581 120.916 120.300 0.057 0.000 2.242 505 Y HA -0.191 4.360 4.550 0.001 0.000 0.291 505 Y C 2.558 178.532 175.900 0.124 0.000 1.137 505 Y CA 0.698 58.861 58.100 0.105 0.000 1.181 505 Y CB -0.032 38.545 38.460 0.194 0.000 0.989 505 Y HN -0.192 nan 8.280 nan 0.000 0.527 506 V N 0.267 120.359 119.914 0.297 0.000 2.358 506 V HA -0.292 3.828 4.120 0.001 0.000 0.246 506 V C 2.269 178.445 176.094 0.136 0.000 1.047 506 V CA 1.926 64.352 62.300 0.209 0.000 1.035 506 V CB -0.469 31.471 31.823 0.196 0.000 0.658 506 V HN 0.302 nan 8.190 nan 0.000 0.452 507 K N 0.029 120.492 120.400 0.106 0.000 2.057 507 K HA -0.194 4.127 4.320 0.001 0.000 0.207 507 K C 1.871 178.509 176.600 0.063 0.000 1.049 507 K CA 1.471 57.797 56.287 0.066 0.000 0.931 507 K CB -0.028 32.493 32.500 0.035 0.000 0.714 507 K HN 0.372 nan 8.250 nan 0.000 0.440 508 E N -0.692 119.555 120.200 0.078 0.000 2.511 508 E HA 0.000 4.351 4.350 0.001 0.000 0.196 508 E C 1.002 177.655 176.600 0.089 0.000 1.066 508 E CA 0.839 57.285 56.400 0.075 0.000 0.871 508 E CB 0.412 30.163 29.700 0.085 0.000 0.863 508 E HN 0.602 nan 8.360 nan 0.000 0.520 509 G N 1.060 109.921 108.800 0.101 0.000 2.143 509 G HA2 -0.327 3.634 3.960 0.001 0.000 0.249 509 G HA3 -0.327 3.634 3.960 0.001 0.000 0.249 509 G C 1.034 175.999 174.900 0.110 0.000 0.981 509 G CA 0.614 45.768 45.100 0.089 0.000 0.665 509 G HN 0.389 nan 8.290 nan 0.000 0.528 510 V N -1.244 118.768 119.914 0.164 0.000 2.685 510 V HA 0.568 4.688 4.120 0.001 0.000 0.244 510 V C 1.230 177.412 176.094 0.145 0.000 1.054 510 V CA 1.377 63.762 62.300 0.142 0.000 1.076 510 V CB 0.156 32.059 31.823 0.134 0.000 0.725 510 V HN 0.748 nan 8.190 nan 0.000 0.467 511 L N 1.885 123.233 121.223 0.208 0.000 2.283 511 L HA 0.440 4.780 4.340 0.001 0.000 0.287 511 L C 1.168 178.137 176.870 0.165 0.000 1.073 511 L CA 0.935 55.903 54.840 0.213 0.000 0.822 511 L CB 0.578 42.831 42.059 0.322 0.000 1.186 511 L HN 0.332 nan 8.230 nan 0.000 0.436 512 T N 4.108 118.754 114.554 0.154 0.000 2.732 512 T HA 0.108 4.458 4.350 0.001 0.000 0.261 512 T C 0.746 175.436 174.700 -0.017 0.000 1.040 512 T CA 1.005 63.169 62.100 0.107 0.000 1.145 512 T CB -0.039 68.959 68.868 0.217 0.000 0.866 512 T HN 0.478 nan 8.240 nan 0.000 0.427 513 R N -0.233 120.193 120.500 -0.125 0.000 2.795 513 R HA 0.763 5.103 4.340 0.001 0.000 0.275 513 R C -1.487 174.716 176.300 -0.162 0.000 0.981 513 R CA -0.703 55.157 56.100 -0.400 0.000 0.917 513 R CB 2.506 31.999 30.300 -1.345 0.000 1.202 513 R HN 0.178 nan 8.270 nan 0.000 0.469 514 I N 1.064 121.566 120.570 -0.114 0.000 2.571 514 I HA 0.332 4.502 4.170 0.001 0.000 0.289 514 I C -1.733 174.320 176.117 -0.108 0.000 1.115 514 I CA -0.468 60.814 61.300 -0.030 0.000 1.045 514 I CB 2.287 40.328 38.000 0.069 0.000 1.238 514 I HN 0.626 nan 8.210 nan 0.000 0.424 515 D N 7.317 127.551 120.400 -0.275 0.000 2.481 515 D HA 0.651 5.291 4.640 0.001 0.000 0.244 515 D C -1.226 174.910 176.300 -0.272 0.000 1.057 515 D CA -0.199 53.615 54.000 -0.309 0.000 0.848 515 D CB 2.416 42.889 40.800 -0.546 0.000 1.388 515 D HN 0.316 nan 8.370 nan 0.000 0.475 516 L N 1.549 122.621 121.223 -0.251 0.000 2.385 516 L HA 0.777 5.117 4.340 0.001 0.000 0.273 516 L C -0.802 175.672 176.870 -0.660 0.000 0.990 516 L CA -1.007 53.544 54.840 -0.483 0.000 0.821 516 L CB 1.977 43.851 42.059 -0.308 0.000 1.279 516 L HN 0.433 nan 8.230 nan 0.000 0.412 517 A N 2.953 125.240 122.820 -0.890 0.000 2.285 517 A HA 0.627 4.947 4.320 0.001 0.000 0.310 517 A C -1.717 175.314 177.584 -0.922 0.000 1.266 517 A CA -0.294 51.319 52.037 -0.707 0.000 0.832 517 A CB 0.269 19.012 19.000 -0.428 0.000 1.163 517 A HN 0.728 nan 8.150 nan 0.000 0.499 518 W N 2.708 123.909 121.300 -0.165 0.000 2.278 518 W HA 0.356 5.016 4.660 0.001 0.000 0.317 518 W C 1.264 177.637 176.519 -0.244 0.000 1.030 518 W CA -0.309 56.940 57.345 -0.160 0.000 1.334 518 W CB 1.580 31.018 29.460 -0.037 0.000 1.215 518 W HN 0.858 nan 8.180 nan 0.000 0.405 519 S N 1.917 117.508 115.700 -0.181 0.000 2.402 519 S HA -0.105 4.365 4.470 0.001 0.000 0.229 519 S C 1.337 175.825 174.600 -0.186 0.000 1.021 519 S CA 0.715 58.699 58.200 -0.361 0.000 0.974 519 S CB -0.001 62.903 63.200 -0.494 0.000 0.800 519 S HN 0.585 nan 8.310 nan 0.000 0.484 520 R N 0.144 120.549 120.500 -0.158 0.000 2.543 520 R HA 0.288 4.628 4.340 0.001 0.000 0.323 520 R C 0.094 176.415 176.300 0.035 0.000 1.002 520 R CA 0.071 56.095 56.100 -0.126 0.000 1.106 520 R CB 0.229 30.354 30.300 -0.291 0.000 1.280 520 R HN 0.278 nan 8.270 nan 0.000 0.549 521 D N 1.234 121.685 120.400 0.086 0.000 2.333 521 D HA -0.009 4.632 4.640 0.001 0.000 0.208 521 D C 0.191 176.558 176.300 0.111 0.000 0.984 521 D CA 1.010 55.121 54.000 0.184 0.000 0.873 521 D CB 0.563 41.471 40.800 0.180 0.000 0.935 521 D HN 0.230 nan 8.370 nan 0.000 0.521 522 Q N -1.230 118.611 119.800 0.067 0.000 3.853 522 Q HA 0.368 4.708 4.340 0.001 0.000 0.220 522 Q C 0.492 176.506 176.000 0.023 0.000 0.826 522 Q CA 0.168 55.996 55.803 0.043 0.000 0.821 522 Q CB 0.716 29.474 28.738 0.033 0.000 1.546 522 Q HN -0.018 nan 8.270 nan 0.000 0.410 523 K N -1.205 119.210 120.400 0.025 0.000 10.669 523 K HA -0.335 3.985 4.320 0.001 0.000 0.523 523 K C 0.494 177.098 176.600 0.006 0.000 0.380 523 K CA 2.236 58.533 56.287 0.017 0.000 1.946 523 K CB -2.309 30.201 32.500 0.016 0.000 0.755 523 K HN 0.964 nan 8.250 nan 0.000 1.190 524 E N 3.073 123.272 120.200 -0.001 0.000 2.324 524 E HA 0.484 4.835 4.350 0.001 0.000 0.271 524 E C 0.152 176.725 176.600 -0.044 0.000 1.028 524 E CA 0.296 56.690 56.400 -0.011 0.000 0.890 524 E CB 0.176 29.870 29.700 -0.010 0.000 1.004 524 E HN 0.613 nan 8.360 nan 0.000 0.431 525 K N 0.987 121.358 120.400 -0.048 0.000 2.379 525 K HA 0.383 4.703 4.320 0.001 0.000 0.284 525 K C -0.626 175.830 176.600 -0.240 0.000 1.044 525 K CA -0.205 55.994 56.287 -0.147 0.000 0.974 525 K CB 1.058 33.563 32.500 0.008 0.000 0.962 525 K HN 0.429 nan 8.250 nan 0.000 0.474 526 V N 4.516 124.148 119.914 -0.471 0.000 2.540 526 V HA 0.420 4.541 4.120 0.001 0.000 0.302 526 V C -0.978 174.684 176.094 -0.720 0.000 1.035 526 V CA -0.991 61.076 62.300 -0.388 0.000 0.873 526 V CB 0.817 32.504 31.823 -0.227 0.000 0.992 526 V HN 0.611 nan 8.190 nan 0.000 0.428 527 Y N 1.165 121.400 120.300 -0.108 0.000 2.634 527 Y HA 0.459 5.009 4.550 0.001 0.000 0.340 527 Y C 1.170 176.984 175.900 -0.144 0.000 1.058 527 Y CA -0.723 57.290 58.100 -0.145 0.000 1.081 527 Y CB 1.880 40.266 38.460 -0.122 0.000 1.295 527 Y HN 0.402 nan 8.280 nan 0.000 0.487 528 V N -1.175 118.751 119.914 0.020 0.000 2.380 528 V HA -0.311 3.810 4.120 0.001 0.000 0.251 528 V C 1.874 177.933 176.094 -0.058 0.000 1.063 528 V CA 2.194 64.475 62.300 -0.031 0.000 1.055 528 V CB -0.721 31.065 31.823 -0.061 0.000 0.657 528 V HN 0.962 nan 8.190 nan 0.000 0.455 529 Q N 0.638 120.409 119.800 -0.048 0.000 2.181 529 Q HA -0.261 4.080 4.340 0.001 0.000 0.205 529 Q C 1.729 177.699 176.000 -0.051 0.000 0.980 529 Q CA 2.216 57.969 55.803 -0.084 0.000 0.862 529 Q CB -1.005 27.690 28.738 -0.072 0.000 0.905 529 Q HN 0.682 nan 8.270 nan 0.000 0.429 530 D N 1.126 121.527 120.400 0.001 0.000 2.144 530 D HA -0.090 4.550 4.640 0.001 0.000 0.200 530 D C 1.774 178.081 176.300 0.012 0.000 0.978 530 D CA 0.936 54.940 54.000 0.007 0.000 0.833 530 D CB 0.096 40.904 40.800 0.013 0.000 0.961 530 D HN 0.235 nan 8.370 nan 0.000 0.470 531 K N 0.643 121.062 120.400 0.031 0.000 2.103 531 K HA 0.018 4.339 4.320 0.001 0.000 0.204 531 K C 2.442 179.133 176.600 0.151 0.000 1.052 531 K CA 0.133 56.500 56.287 0.132 0.000 0.945 531 K CB -0.360 32.274 32.500 0.223 0.000 0.722 531 K HN 0.244 nan 8.250 nan 0.000 0.443 532 L N 0.393 121.545 121.223 -0.118 0.000 2.017 532 L HA -0.164 4.176 4.340 0.001 0.000 0.208 532 L C 2.702 179.497 176.870 -0.124 0.000 1.073 532 L CA 1.331 55.957 54.840 -0.356 0.000 0.745 532 L CB -0.419 41.350 42.059 -0.482 0.000 0.894 532 L HN 0.133 nan 8.230 nan 0.000 0.432 533 R N -0.048 120.418 120.500 -0.058 0.000 2.096 533 R HA -0.237 4.103 4.340 0.001 0.000 0.240 533 R C 2.273 178.613 176.300 0.068 0.000 1.139 533 R CA 1.879 57.990 56.100 0.018 0.000 0.952 533 R CB -0.289 30.024 30.300 0.021 0.000 0.854 533 R HN 0.384 nan 8.270 nan 0.000 0.436 534 E N 0.083 120.319 120.200 0.060 0.000 2.268 534 E HA -0.168 4.182 4.350 0.001 0.000 0.195 534 E C 0.862 177.507 176.600 0.075 0.000 0.995 534 E CA 0.820 57.266 56.400 0.076 0.000 0.836 534 E CB 0.344 30.085 29.700 0.069 0.000 0.763 534 E HN 0.266 nan 8.360 nan 0.000 0.491 535 Q N -0.703 119.146 119.800 0.081 0.000 2.188 535 Q HA 0.124 4.464 4.340 0.001 0.000 0.212 535 Q C 1.437 177.398 176.000 -0.064 0.000 0.846 535 Q CA 0.401 56.269 55.803 0.108 0.000 0.989 535 Q CB 1.203 30.155 28.738 0.357 0.000 1.114 535 Q HN 0.337 nan 8.270 nan 0.000 0.488 536 G N 1.728 110.419 108.800 -0.181 0.000 2.599 536 G HA2 -0.364 3.597 3.960 0.001 0.000 0.219 536 G HA3 -0.364 3.597 3.960 0.001 0.000 0.219 536 G C 1.440 175.819 174.900 -0.869 0.000 1.193 536 G CA 1.468 46.334 45.100 -0.391 0.000 0.778 536 G HN 0.466 nan 8.290 nan 0.000 0.589 537 A N 0.448 122.369 122.820 -1.497 0.000 1.883 537 A HA 0.083 4.404 4.320 0.001 0.000 0.217 537 A C 2.436 179.906 177.584 -0.190 0.000 1.186 537 A CA 2.904 54.362 52.037 -0.965 0.000 0.624 537 A CB -0.999 17.663 19.000 -0.563 0.000 0.822 537 A HN 0.692 nan 8.150 nan 0.000 0.444 538 E N -0.775 119.395 120.200 -0.049 0.000 2.152 538 E HA 0.005 4.356 4.350 0.001 0.000 0.192 538 E C 1.838 178.599 176.600 0.268 0.000 0.983 538 E CA 1.293 57.792 56.400 0.165 0.000 0.818 538 E CB -0.643 29.150 29.700 0.156 0.000 0.758 538 E HN 0.369 nan 8.360 nan 0.000 0.467 539 L N -0.230 121.078 121.223 0.141 0.000 2.046 539 L HA -0.092 4.248 4.340 0.001 0.000 0.208 539 L C 2.321 179.300 176.870 0.181 0.000 1.077 539 L CA 1.685 56.554 54.840 0.049 0.000 0.747 539 L CB -1.143 40.828 42.059 -0.146 0.000 0.896 539 L HN 0.752 nan 8.230 nan 0.000 0.432 540 W N 0.615 121.906 121.300 -0.016 0.000 2.388 540 W HA -0.219 4.441 4.660 0.001 0.000 0.294 540 W C 2.638 179.228 176.519 0.119 0.000 1.212 540 W CA 1.403 58.768 57.345 0.033 0.000 1.271 540 W CB -0.069 29.404 29.460 0.021 0.000 1.126 540 W HN 0.201 nan 8.180 nan 0.000 0.535 541 R N -0.302 120.264 120.500 0.109 0.000 2.075 541 R HA -0.208 4.133 4.340 0.001 0.000 0.232 541 R C 2.070 178.455 176.300 0.141 0.000 1.126 541 R CA 2.269 58.414 56.100 0.075 0.000 0.963 541 R CB -1.094 29.324 30.300 0.197 0.000 0.858 541 R HN 0.039 nan 8.270 nan 0.000 0.435 542 W N 0.996 122.304 121.300 0.014 0.000 2.379 542 W HA -0.007 4.654 4.660 0.001 0.000 0.307 542 W C 1.992 178.490 176.519 -0.035 0.000 1.200 542 W CA 0.671 58.047 57.345 0.050 0.000 1.297 542 W CB -0.595 28.993 29.460 0.213 0.000 1.140 542 W HN 0.042 nan 8.180 nan 0.000 0.507 543 I N 0.389 121.041 120.570 0.136 0.000 2.151 543 I HA -0.411 3.760 4.170 0.001 0.000 0.243 543 I C 2.194 178.214 176.117 -0.161 0.000 1.080 543 I CA 1.644 62.929 61.300 -0.025 0.000 1.339 543 I CB -0.789 37.167 38.000 -0.072 0.000 1.039 543 I HN 0.093 nan 8.210 nan 0.000 0.409 544 N N 0.601 119.077 118.700 -0.374 0.000 2.364 544 N HA -0.154 4.587 4.740 0.001 0.000 0.183 544 N C 0.626 176.048 175.510 -0.147 0.000 1.022 544 N CA 1.002 53.860 53.050 -0.321 0.000 0.883 544 N CB -0.111 38.110 38.487 -0.442 0.000 0.965 544 N HN 0.356 nan 8.380 nan 0.000 0.438 545 D N -0.121 120.216 120.400 -0.105 0.000 2.323 545 D HA 0.095 4.736 4.640 0.001 0.000 0.239 545 D C 1.031 177.299 176.300 -0.053 0.000 1.129 545 D CA 0.167 54.111 54.000 -0.092 0.000 0.865 545 D CB -0.222 40.484 40.800 -0.156 0.000 0.913 545 D HN 0.294 nan 8.370 nan 0.000 0.517 546 G N 0.415 109.201 108.800 -0.023 0.000 2.149 546 G HA2 -0.207 3.754 3.960 0.001 0.000 0.235 546 G HA3 -0.207 3.754 3.960 0.001 0.000 0.235 546 G C 0.541 175.509 174.900 0.113 0.000 1.018 546 G CA 0.044 45.159 45.100 0.025 0.000 0.728 546 G HN 0.582 nan 8.290 nan 0.000 0.508 547 A N 0.232 123.133 122.820 0.134 0.000 2.483 547 A HA 0.566 4.887 4.320 0.001 0.000 0.238 547 A C 0.507 178.256 177.584 0.276 0.000 1.070 547 A CA 0.095 52.282 52.037 0.249 0.000 0.770 547 A CB 0.171 19.382 19.000 0.352 0.000 1.008 547 A HN 0.595 nan 8.150 nan 0.000 0.497 548 H N 0.360 119.486 119.070 0.093 0.000 2.481 548 H HA 0.482 5.039 4.556 0.001 0.000 0.339 548 H C -0.804 174.461 175.328 -0.104 0.000 1.131 548 H CA -0.324 55.688 56.048 -0.060 0.000 1.301 548 H CB 1.268 30.968 29.762 -0.102 0.000 1.476 548 H HN 0.506 nan 8.280 nan 0.000 0.529 549 I N 3.247 123.697 120.570 -0.200 0.000 2.436 549 I HA 0.172 4.342 4.170 0.001 0.000 0.289 549 I C -1.089 174.845 176.117 -0.304 0.000 1.010 549 I CA -0.546 60.693 61.300 -0.103 0.000 1.098 549 I CB 1.050 39.076 38.000 0.043 0.000 1.266 549 I HN 0.434 nan 8.210 nan 0.000 0.434 550 Y N 5.018 125.378 120.300 0.102 0.000 2.364 550 Y HA 0.652 5.202 4.550 0.001 0.000 0.340 550 Y C -0.255 175.795 175.900 0.250 0.000 0.975 550 Y CA -1.014 57.169 58.100 0.138 0.000 1.089 550 Y CB 2.019 40.572 38.460 0.156 0.000 1.192 550 Y HN 0.137 nan 8.280 nan 0.000 0.454 551 V N 2.936 123.150 119.914 0.500 0.000 2.531 551 V HA 0.499 4.619 4.120 0.001 0.000 0.301 551 V C -0.875 175.478 176.094 0.430 0.000 1.034 551 V CA -0.842 61.689 62.300 0.384 0.000 0.865 551 V CB 1.730 33.650 31.823 0.162 0.000 0.995 551 V HN 0.934 nan 8.190 nan 0.000 0.424 552 C N 4.102 123.612 119.300 0.350 0.000 2.535 552 C HA 0.993 5.453 4.460 0.001 0.000 0.319 552 C C 0.490 175.461 174.990 -0.032 0.000 1.171 552 C CA 0.758 59.820 59.018 0.074 0.000 1.394 552 C CB 0.507 28.154 27.740 -0.155 0.000 1.990 552 C HN 1.485 nan 8.230 nan 0.000 0.466 553 G N 4.356 112.984 108.800 -0.286 0.000 2.247 553 G HA2 0.168 4.129 3.960 0.001 0.000 0.229 553 G HA3 0.168 4.129 3.960 0.001 0.000 0.229 553 G C -1.181 173.210 174.900 -0.848 0.000 1.345 553 G CA 0.001 44.827 45.100 -0.458 0.000 1.100 553 G HN 0.956 nan 8.290 nan 0.000 0.473 554 D N 1.162 121.269 120.400 -0.487 0.000 2.412 554 D HA 0.543 5.183 4.640 0.001 0.000 0.257 554 D C 1.316 177.438 176.300 -0.296 0.000 1.217 554 D CA 1.114 54.883 54.000 -0.385 0.000 0.897 554 D CB 1.152 41.829 40.800 -0.204 0.000 1.132 554 D HN 0.940 nan 8.370 nan 0.000 0.493 555 A N 4.599 127.253 122.820 -0.276 0.000 2.016 555 A HA -0.127 4.193 4.320 0.001 0.000 0.217 555 A C 2.048 179.561 177.584 -0.118 0.000 1.162 555 A CA 0.462 52.397 52.037 -0.170 0.000 0.662 555 A CB -0.305 18.619 19.000 -0.127 0.000 0.812 555 A HN 0.711 nan 8.150 nan 0.000 0.450 556 N N -0.521 118.111 118.700 -0.114 0.000 2.084 556 N HA -0.170 4.571 4.740 0.001 0.000 0.190 556 N C 1.967 177.421 175.510 -0.093 0.000 1.030 556 N CA 2.199 55.196 53.050 -0.088 0.000 0.849 556 N CB -0.024 38.414 38.487 -0.081 0.000 1.012 556 N HN 0.616 nan 8.380 nan 0.000 0.423 557 R N 0.105 120.535 120.500 -0.117 0.000 2.428 557 R HA 0.238 4.579 4.340 0.001 0.000 0.193 557 R C 1.800 178.010 176.300 -0.148 0.000 0.852 557 R CA 0.338 56.359 56.100 -0.132 0.000 1.055 557 R CB -0.898 29.312 30.300 -0.151 0.000 1.343 557 R HN 0.049 nan 8.270 nan 0.000 0.655 558 M N 1.491 120.995 119.600 -0.160 0.000 2.067 558 M HA 0.039 4.519 4.480 0.001 0.000 0.260 558 M C 2.369 178.601 176.300 -0.112 0.000 1.069 558 M CA 2.472 57.681 55.300 -0.153 0.000 1.117 558 M CB -0.915 31.596 32.600 -0.149 0.000 1.334 558 M HN 0.416 nan 8.290 nan 0.000 0.407 559 A N 0.595 123.353 122.820 -0.103 0.000 1.892 559 A HA -0.210 4.110 4.320 0.001 0.000 0.218 559 A C 2.427 179.988 177.584 -0.039 0.000 1.188 559 A CA 3.521 55.521 52.037 -0.063 0.000 0.631 559 A CB -1.358 17.600 19.000 -0.070 0.000 0.822 559 A HN 0.641 nan 8.150 nan 0.000 0.447 560 K N -0.293 120.074 120.400 -0.055 0.000 2.025 560 K HA -0.168 4.153 4.320 0.001 0.000 0.207 560 K C 1.648 178.216 176.600 -0.053 0.000 1.049 560 K CA 1.876 58.137 56.287 -0.043 0.000 0.933 560 K CB -1.057 31.413 32.500 -0.049 0.000 0.714 560 K HN 0.582 nan 8.250 nan 0.000 0.438 561 D N 0.265 120.616 120.400 -0.083 0.000 2.219 561 D HA -0.065 4.575 4.640 0.001 0.000 0.205 561 D C 1.891 178.142 176.300 -0.081 0.000 0.970 561 D CA 1.150 55.097 54.000 -0.090 0.000 0.851 561 D CB -0.061 40.662 40.800 -0.129 0.000 0.943 561 D HN 0.198 nan 8.370 nan 0.000 0.488 562 V N 0.920 120.789 119.914 -0.076 0.000 2.453 562 V HA -0.202 3.919 4.120 0.001 0.000 0.247 562 V C 2.466 178.529 176.094 -0.052 0.000 1.048 562 V CA 1.534 63.786 62.300 -0.081 0.000 1.049 562 V CB -0.293 31.490 31.823 -0.066 0.000 0.672 562 V HN 0.147 nan 8.190 nan 0.000 0.457 563 E N 0.141 120.340 120.200 -0.002 0.000 2.023 563 E HA -0.308 4.042 4.350 0.001 0.000 0.196 563 E C 2.408 178.985 176.600 -0.038 0.000 1.003 563 E CA 2.273 58.686 56.400 0.021 0.000 0.809 563 E CB -0.258 29.485 29.700 0.072 0.000 0.755 563 E HN 0.643 nan 8.360 nan 0.000 0.449 564 Q N 0.361 120.137 119.800 -0.040 0.000 2.061 564 Q HA -0.150 4.190 4.340 0.001 0.000 0.204 564 Q C 2.282 178.244 176.000 -0.063 0.000 0.984 564 Q CA 2.282 58.055 55.803 -0.049 0.000 0.846 564 Q CB -1.234 27.475 28.738 -0.048 0.000 0.902 564 Q HN 0.525 nan 8.270 nan 0.000 0.421 565 A N 0.322 123.098 122.820 -0.074 0.000 1.940 565 A HA -0.006 4.315 4.320 0.001 0.000 0.219 565 A C 2.415 179.942 177.584 -0.095 0.000 1.176 565 A CA 1.550 53.537 52.037 -0.084 0.000 0.631 565 A CB -0.390 18.545 19.000 -0.109 0.000 0.814 565 A HN 0.614 nan 8.150 nan 0.000 0.446 566 L N -0.885 120.270 121.223 -0.114 0.000 2.093 566 L HA -0.129 4.212 4.340 0.001 0.000 0.208 566 L C 2.513 179.329 176.870 -0.091 0.000 1.085 566 L CA 0.776 55.541 54.840 -0.125 0.000 0.755 566 L CB -0.472 41.480 42.059 -0.179 0.000 0.904 566 L HN 0.365 nan 8.230 nan 0.000 0.435 567 L N -0.404 120.767 121.223 -0.087 0.000 2.046 567 L HA -0.205 4.135 4.340 0.001 0.000 0.208 567 L C 2.482 179.302 176.870 -0.083 0.000 1.077 567 L CA 1.343 56.139 54.840 -0.074 0.000 0.747 567 L CB -0.354 41.669 42.059 -0.061 0.000 0.896 567 L HN 0.290 nan 8.230 nan 0.000 0.432 568 E N -0.734 119.421 120.200 -0.075 0.000 2.106 568 E HA -0.164 4.187 4.350 0.001 0.000 0.192 568 E C 2.246 178.805 176.600 -0.069 0.000 0.984 568 E CA 0.944 57.295 56.400 -0.081 0.000 0.806 568 E CB 0.028 29.689 29.700 -0.065 0.000 0.750 568 E HN 0.236 nan 8.360 nan 0.000 0.458 569 V N 1.235 121.140 119.914 -0.015 0.000 2.358 569 V HA -0.239 3.882 4.120 0.001 0.000 0.246 569 V C 2.163 178.266 176.094 0.015 0.000 1.047 569 V CA 1.444 63.809 62.300 0.110 0.000 1.035 569 V CB -0.320 31.558 31.823 0.092 0.000 0.658 569 V HN 0.249 nan 8.190 nan 0.000 0.452 570 I N 0.411 120.927 120.570 -0.090 0.000 2.163 570 I HA -0.260 3.910 4.170 0.001 0.000 0.243 570 I C 2.659 178.489 176.117 -0.479 0.000 1.085 570 I CA 1.584 62.709 61.300 -0.292 0.000 1.347 570 I CB -0.639 37.260 38.000 -0.167 0.000 1.044 570 I HN 0.283 nan 8.210 nan 0.000 0.408 571 A N 0.745 123.379 122.820 -0.309 0.000 1.841 571 A HA -0.273 4.048 4.320 0.001 0.000 0.216 571 A C 2.460 179.820 177.584 -0.374 0.000 1.199 571 A CA 2.645 54.506 52.037 -0.293 0.000 0.621 571 A CB -1.307 17.574 19.000 -0.198 0.000 0.835 571 A HN 0.420 nan 8.150 nan 0.000 0.445 572 E N -1.104 118.860 120.200 -0.392 0.000 2.031 572 E HA -0.146 4.204 4.350 0.001 0.000 0.193 572 E C 1.679 177.817 176.600 -0.770 0.000 0.994 572 E CA 1.637 57.694 56.400 -0.571 0.000 0.800 572 E CB -0.907 28.360 29.700 -0.721 0.000 0.752 572 E HN 0.714 nan 8.360 nan 0.000 0.447 573 F N 0.301 119.979 119.950 -0.453 0.000 2.619 573 F HA 0.358 4.885 4.527 0.001 0.000 0.293 573 F C 1.918 176.991 175.800 -1.211 0.000 1.119 573 F CA 0.094 57.745 58.000 -0.583 0.000 1.445 573 F CB 0.057 38.861 39.000 -0.326 0.000 1.119 573 F HN 0.359 nan 8.300 nan 0.000 0.573 574 G N -0.349 107.561 108.800 -1.484 0.000 2.494 574 G HA2 0.439 4.400 3.960 0.001 0.000 0.270 574 G HA3 0.439 4.400 3.960 0.001 0.000 0.270 574 G C -0.190 174.315 174.900 -0.658 0.000 1.423 574 G CA -0.180 43.976 45.100 -1.575 0.000 1.055 574 G HN 0.241 nan 8.290 nan 0.000 0.536 575 G N -2.887 105.688 108.800 -0.374 0.000 2.671 575 G HA2 0.635 4.595 3.960 0.001 0.000 0.318 575 G HA3 0.635 4.595 3.960 0.001 0.000 0.318 575 G C -0.088 174.686 174.900 -0.210 0.000 1.250 575 G CA 0.796 45.746 45.100 -0.250 0.000 1.028 575 G HN 1.519 nan 8.290 nan 0.000 0.501 576 M N 0.049 119.523 119.600 -0.211 0.000 1.630 576 M HA 0.600 5.080 4.480 0.001 0.000 0.257 576 M C 0.950 177.175 176.300 -0.124 0.000 0.943 576 M CA 1.699 56.908 55.300 -0.151 0.000 0.983 576 M CB -0.776 31.725 32.600 -0.166 0.000 1.922 576 M HN 2.199 nan 8.290 nan 0.000 0.709 577 D N -1.024 119.286 120.400 -0.150 0.000 9.888 577 D HA 0.292 4.932 4.640 0.001 0.000 0.356 577 D C 1.632 177.881 176.300 -0.085 0.000 2.948 577 D CA 2.288 56.219 54.000 -0.114 0.000 2.242 577 D CB -1.706 39.039 40.800 -0.092 0.000 1.138 577 D HN 2.462 nan 8.370 nan 0.000 1.101 578 T N -1.417 113.096 114.554 -0.068 0.000 2.527 578 T HA 0.035 4.386 4.350 0.001 0.000 0.258 578 T C 2.534 177.217 174.700 -0.029 0.000 1.175 578 T CA 4.784 66.855 62.100 -0.049 0.000 1.168 578 T CB -1.575 67.267 68.868 -0.043 0.000 0.860 578 T HN 2.184 nan 8.240 nan 0.000 0.429 579 E N 0.679 120.867 120.200 -0.020 0.000 2.150 579 E HA 0.384 4.734 4.350 0.001 0.000 0.193 579 E C 2.528 179.135 176.600 0.012 0.000 0.985 579 E CA 1.754 58.152 56.400 -0.004 0.000 0.814 579 E CB -0.958 28.740 29.700 -0.003 0.000 0.752 579 E HN 1.051 nan 8.360 nan 0.000 0.466 580 A N 0.422 123.246 122.820 0.007 0.000 2.016 580 A HA 0.450 4.771 4.320 0.001 0.000 0.217 580 A C 2.726 180.349 177.584 0.065 0.000 1.162 580 A CA 1.639 53.698 52.037 0.036 0.000 0.662 580 A CB -0.331 18.679 19.000 0.018 0.000 0.812 580 A HN 0.835 nan 8.150 nan 0.000 0.450 581 A N -0.107 122.719 122.820 0.010 0.000 1.898 581 A HA -0.170 4.151 4.320 0.001 0.000 0.216 581 A C 1.953 179.585 177.584 0.079 0.000 1.181 581 A CA 1.728 53.769 52.037 0.007 0.000 0.620 581 A CB -0.519 18.438 19.000 -0.071 0.000 0.819 581 A HN 0.483 nan 8.150 nan 0.000 0.442 582 D N -0.267 120.158 120.400 0.042 0.000 2.092 582 D HA -0.176 4.464 4.640 0.001 0.000 0.193 582 D C 1.859 178.195 176.300 0.059 0.000 0.994 582 D CA 1.664 55.686 54.000 0.037 0.000 0.828 582 D CB -0.148 40.663 40.800 0.017 0.000 0.963 582 D HN 0.622 nan 8.370 nan 0.000 0.450 583 E N -0.809 119.434 120.200 0.072 0.000 2.110 583 E HA -0.149 4.202 4.350 0.001 0.000 0.193 583 E C 2.042 178.694 176.600 0.087 0.000 0.988 583 E CA 0.462 56.901 56.400 0.064 0.000 0.804 583 E CB -0.234 29.503 29.700 0.061 0.000 0.745 583 E HN 0.308 nan 8.360 nan 0.000 0.458 584 F N 0.867 120.819 119.950 0.003 0.000 2.134 584 F HA -0.198 4.330 4.527 0.001 0.000 0.299 584 F C 2.063 177.854 175.800 -0.015 0.000 1.097 584 F CA 0.803 58.814 58.000 0.019 0.000 1.264 584 F CB 0.033 39.072 39.000 0.065 0.000 1.001 584 F HN 0.017 nan 8.300 nan 0.000 0.479 585 L N -0.207 121.109 121.223 0.156 0.000 2.056 585 L HA -0.164 4.177 4.340 0.001 0.000 0.207 585 L C 2.407 179.248 176.870 -0.048 0.000 1.078 585 L CA 1.920 56.745 54.840 -0.025 0.000 0.749 585 L CB -1.008 40.979 42.059 -0.119 0.000 0.901 585 L HN 0.055 nan 8.230 nan 0.000 0.433 586 S N -0.610 115.087 115.700 -0.006 0.000 2.382 586 S HA -0.131 4.339 4.470 0.001 0.000 0.228 586 S C 1.781 176.357 174.600 -0.039 0.000 1.027 586 S CA 1.025 59.230 58.200 0.009 0.000 0.991 586 S CB -0.278 62.931 63.200 0.016 0.000 0.823 586 S HN 0.457 nan 8.310 nan 0.000 0.469 587 E N 0.899 121.035 120.200 -0.108 0.000 2.150 587 E HA 0.004 4.354 4.350 0.001 0.000 0.193 587 E C 1.945 178.430 176.600 -0.191 0.000 0.985 587 E CA 0.416 56.719 56.400 -0.161 0.000 0.814 587 E CB -0.324 29.235 29.700 -0.236 0.000 0.752 587 E HN 0.281 nan 8.360 nan 0.000 0.466 588 L N 1.004 122.091 121.223 -0.226 0.000 2.046 588 L HA -0.129 4.211 4.340 0.001 0.000 0.208 588 L C 2.500 179.327 176.870 -0.072 0.000 1.077 588 L CA 1.544 56.271 54.840 -0.188 0.000 0.747 588 L CB -0.631 41.323 42.059 -0.176 0.000 0.896 588 L HN 0.043 nan 8.230 nan 0.000 0.432 589 R N -0.801 119.715 120.500 0.027 0.000 2.061 589 R HA -0.048 4.292 4.340 0.001 0.000 0.230 589 R C 0.528 176.829 176.300 0.002 0.000 1.140 589 R CA 0.549 56.694 56.100 0.075 0.000 0.940 589 R CB -0.289 30.108 30.300 0.160 0.000 0.839 589 R HN 0.086 nan 8.270 nan 0.000 0.429 590 V N 1.911 121.819 119.914 -0.010 0.000 2.720 590 V HA 0.082 4.202 4.120 0.001 0.000 0.307 590 V C 1.184 177.249 176.094 -0.049 0.000 1.071 590 V CA 1.675 63.961 62.300 -0.024 0.000 1.199 590 V CB 0.609 32.413 31.823 -0.031 0.000 0.900 590 V HN 0.855 nan 8.190 nan 0.000 0.494 591 E N 1.965 122.134 120.200 -0.051 0.000 4.287 591 E HA -0.198 4.152 4.350 0.001 0.000 0.324 591 E C 1.404 177.936 176.600 -0.114 0.000 0.615 591 E CA 1.858 58.207 56.400 -0.085 0.000 1.912 591 E CB -1.911 27.713 29.700 -0.126 0.000 1.832 591 E HN 2.513 nan 8.360 nan 0.000 0.494 592 R N -0.858 119.583 120.500 -0.098 0.000 3.527 592 R HA -0.199 4.141 4.340 0.001 0.000 0.288 592 R C 1.033 177.176 176.300 -0.262 0.000 1.146 592 R CA 2.509 58.550 56.100 -0.098 0.000 0.778 592 R CB -3.201 27.085 30.300 -0.023 0.000 1.289 592 R HN 1.266 nan 8.270 nan 0.000 0.454 593 R N -1.604 118.709 120.500 -0.312 0.000 2.508 593 R HA 0.290 4.630 4.340 0.001 0.000 0.300 593 R C -0.068 176.099 176.300 -0.221 0.000 0.970 593 R CA 0.434 56.223 56.100 -0.519 0.000 1.102 593 R CB 0.715 30.680 30.300 -0.559 0.000 1.246 593 R HN 0.720 nan 8.270 nan 0.000 0.539 594 Y N 1.167 121.303 120.300 -0.273 0.000 2.373 594 Y HA 0.323 4.873 4.550 0.001 0.000 0.327 594 Y C -1.384 174.439 175.900 -0.127 0.000 1.036 594 Y CA -0.722 57.259 58.100 -0.198 0.000 1.265 594 Y CB 1.042 39.434 38.460 -0.113 0.000 1.108 594 Y HN -0.126 nan 8.280 nan 0.000 0.471 595 Q N 6.081 125.691 119.800 -0.316 0.000 2.353 595 Q HA 0.618 4.959 4.340 0.001 0.000 0.268 595 Q C -1.106 174.925 176.000 0.052 0.000 1.045 595 Q CA -1.115 54.599 55.803 -0.147 0.000 0.811 595 Q CB 2.728 31.412 28.738 -0.090 0.000 1.305 595 Q HN 0.688 nan 8.270 nan 0.000 0.447 596 R N 1.109 121.732 120.500 0.204 0.000 2.725 596 R HA 0.413 4.754 4.340 0.001 0.000 0.277 596 R C -1.449 174.992 176.300 0.236 0.000 0.987 596 R CA -0.865 55.382 56.100 0.246 0.000 0.901 596 R CB 1.686 31.942 30.300 -0.074 0.000 1.207 596 R HN 0.476 nan 8.270 nan 0.000 0.463 597 D N 2.031 122.443 120.400 0.019 0.000 2.405 597 D HA 0.210 4.850 4.640 0.001 0.000 0.264 597 D C -1.111 175.135 176.300 -0.090 0.000 1.240 597 D CA -0.353 53.539 54.000 -0.180 0.000 0.893 597 D CB 1.135 41.549 40.800 -0.644 0.000 1.198 597 D HN 0.325 nan 8.370 nan 0.000 0.514 598 V N 0.831 120.704 119.914 -0.067 0.000 2.715 598 V HA 0.944 5.065 4.120 0.001 0.000 0.310 598 V C -0.761 175.248 176.094 -0.142 0.000 1.054 598 V CA -0.658 61.508 62.300 -0.223 0.000 0.928 598 V CB 1.156 32.874 31.823 -0.175 0.000 1.007 598 V HN 0.325 nan 8.190 nan 0.000 0.437 599 Y N 0.000 120.250 120.300 -0.084 0.000 2.660 599 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 599 Y CA 0.000 58.046 58.100 -0.090 0.000 1.940 599 Y CB 0.000 38.385 38.460 -0.124 0.000 1.050 599 Y HN 0.000 nan 8.280 nan 0.000 0.758