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 1rtk_1_A DATA FIRST_RESID 243 DATA SEQUENCE SMNIYLVLDG SDSIGASNFT GAKKVLVNLI EKVASYGVKP RYGLVTYATY DATA SEQUENCE PKIWVKVSEA DSSNADWVTK QLNEINYEDH KLKSGTNTKK ALQAVYSMMS DATA SEQUENCE WPXXXXXXGW NRTRHVIILM TDGLHNMGGD PITVIDEIRD LLYIGKDRKN DATA SEQUENCE PREDYLDVYV FGVGPLVNQV NINALASKKD NEQHVcKVKD MEcLEDVFYQ DATA SEQUENCE MIDESQSLSL cGMVWEHRKG TDYHKQPWQA KISVIRXXKG HEScMGAVVS DATA SEQUENCE EYFVLTAAHc FTVDDKEHSI KVSVGGEKRD LEIEVVLFHP NYNINGKKEA DATA SEQUENCE GIPEFYDYDV ALIKLKNKLK YGQTIRPIcL PcTEGTTRAL RLPPTTTcQQ DATA SEQUENCE QKEELLPAQD IKALFVSEEE KKLTRKEVYI KNGDKKGScE RDAQYAPGYD DATA SEQUENCE KVKDISEVVT PRFLcTGGVS PYADPNTcRG DSGGPLIVHK RSRFIQVGVI DATA SEQUENCE SWGVVDVcXX XKRQKQVPAH ARDFHINLFQ VLPWLKEKLQ DEDLGFL 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 243 S HA 0.000 nan 4.470 nan 0.000 0.327 243 S C 0.000 174.535 174.600 -0.108 0.000 1.055 243 S CA 0.000 58.166 58.200 -0.057 0.000 1.107 243 S CB 0.000 63.178 63.200 -0.038 0.000 0.593 244 M N 4.237 123.742 119.600 -0.158 0.000 2.386 244 M HA 0.619 5.099 4.480 0.001 0.000 0.293 244 M C -2.029 174.085 176.300 -0.310 0.000 1.120 244 M CA -0.433 54.732 55.300 -0.225 0.000 0.909 244 M CB 1.722 34.208 32.600 -0.190 0.000 1.661 244 M HN 0.624 nan 8.290 nan 0.000 0.452 245 N N 5.045 123.512 118.700 -0.389 0.000 2.342 245 N HA 0.624 5.364 4.740 0.001 0.000 0.293 245 N C -1.544 173.621 175.510 -0.575 0.000 1.026 245 N CA -0.227 52.514 53.050 -0.514 0.000 0.857 245 N CB 2.070 40.266 38.487 -0.485 0.000 1.256 245 N HN 0.667 nan 8.380 nan 0.000 0.484 246 I N 2.609 122.767 120.570 -0.688 0.000 2.418 246 I HA 0.295 4.466 4.170 0.001 0.000 0.287 246 I C -0.970 174.925 176.117 -0.370 0.000 1.008 246 I CA -0.792 60.253 61.300 -0.425 0.000 1.104 246 I CB 0.901 38.702 38.000 -0.332 0.000 1.264 246 I HN 0.341 nan 8.210 nan 0.000 0.438 247 Y N 6.418 126.778 120.300 0.100 0.000 2.385 247 Y HA 0.481 5.031 4.550 0.001 0.000 0.341 247 Y C -0.140 175.833 175.900 0.123 0.000 0.965 247 Y CA -0.798 57.380 58.100 0.130 0.000 1.180 247 Y CB 0.816 39.340 38.460 0.108 0.000 1.139 247 Y HN 0.317 nan 8.280 nan 0.000 0.502 248 L N 5.055 126.429 121.223 0.251 0.000 2.261 248 L HA 0.514 4.854 4.340 0.001 0.000 0.289 248 L C -0.685 176.291 176.870 0.177 0.000 1.059 248 L CA -0.824 54.116 54.840 0.167 0.000 0.816 248 L CB 0.490 42.618 42.059 0.116 0.000 1.191 248 L HN 0.342 nan 8.230 nan 0.000 0.431 249 V N 4.989 124.996 119.914 0.155 0.000 2.350 249 V HA 0.340 4.461 4.120 0.001 0.000 0.285 249 V C -0.302 175.931 176.094 0.232 0.000 1.014 249 V CA -0.472 61.948 62.300 0.201 0.000 0.831 249 V CB 1.914 33.819 31.823 0.137 0.000 1.000 249 V HN 0.446 nan 8.190 nan 0.000 0.433 250 L N 4.324 125.699 121.223 0.253 0.000 2.305 250 L HA 0.607 4.948 4.340 0.001 0.000 0.284 250 L C -0.109 176.849 176.870 0.146 0.000 1.013 250 L CA -0.096 54.843 54.840 0.165 0.000 0.819 250 L CB 1.412 43.464 42.059 -0.012 0.000 1.227 250 L HN 0.643 nan 8.230 nan 0.000 0.417 251 D N 3.418 123.807 120.400 -0.018 0.000 2.401 251 D HA 0.213 4.854 4.640 0.001 0.000 0.254 251 D C 0.667 176.902 176.300 -0.109 0.000 1.192 251 D CA 0.448 54.132 54.000 -0.526 0.000 0.885 251 D CB 1.448 42.058 40.800 -0.316 0.000 1.147 251 D HN 0.783 nan 8.370 nan 0.000 0.478 252 G N 2.361 111.016 108.800 -0.242 0.000 3.899 252 G HA2 0.129 4.090 3.960 0.001 0.000 0.293 252 G HA3 0.129 4.090 3.960 0.001 0.000 0.293 252 G C 0.551 175.389 174.900 -0.102 0.000 1.054 252 G CA -0.005 45.077 45.100 -0.031 0.000 0.846 252 G HN 0.503 nan 8.290 nan 0.000 0.525 253 S N -0.776 114.859 115.700 -0.108 0.000 2.634 253 S HA 0.169 4.640 4.470 0.001 0.000 0.261 253 S C 0.939 175.575 174.600 0.060 0.000 1.271 253 S CA -0.085 58.082 58.200 -0.055 0.000 0.985 253 S CB 1.508 64.662 63.200 -0.076 0.000 0.968 253 S HN -0.028 nan 8.310 nan 0.000 0.568 254 D N 1.205 121.629 120.400 0.039 0.000 2.149 254 D HA -0.132 4.508 4.640 0.001 0.000 0.194 254 D C 2.216 178.569 176.300 0.088 0.000 1.001 254 D CA 2.095 56.140 54.000 0.076 0.000 0.849 254 D CB -0.633 40.187 40.800 0.033 0.000 0.939 254 D HN 0.730 nan 8.370 nan 0.000 0.449 255 S N -0.453 115.280 115.700 0.054 0.000 2.507 255 S HA -0.070 4.401 4.470 0.001 0.000 0.235 255 S C 1.925 176.550 174.600 0.043 0.000 0.988 255 S CA 0.225 58.450 58.200 0.041 0.000 0.944 255 S CB -0.063 63.153 63.200 0.027 0.000 0.762 255 S HN 0.146 nan 8.310 nan 0.000 0.526 256 I N 1.938 122.548 120.570 0.067 0.000 2.277 256 I HA 0.224 4.394 4.170 0.001 0.000 0.243 256 I C 1.645 177.750 176.117 -0.020 0.000 1.094 256 I CA 1.353 62.684 61.300 0.051 0.000 1.393 256 I CB -2.242 35.829 38.000 0.118 0.000 1.078 256 I HN 0.564 nan 8.210 nan 0.000 0.417 257 G N -0.001 108.765 108.800 -0.056 0.000 2.705 257 G HA2 -0.007 3.953 3.960 0.001 0.000 0.686 257 G HA3 -0.007 3.953 3.960 0.001 0.000 0.686 257 G C 0.719 175.208 174.900 -0.684 0.000 1.285 257 G CA -0.008 44.960 45.100 -0.220 0.000 0.800 257 G HN 0.483 nan 8.290 nan 0.000 0.611 258 A N 0.973 123.358 122.820 -0.725 0.000 1.858 258 A HA 0.126 4.446 4.320 0.001 0.000 0.216 258 A C 2.949 180.352 177.584 -0.300 0.000 1.190 258 A CA 3.373 54.970 52.037 -0.734 0.000 0.617 258 A CB -1.084 17.757 19.000 -0.266 0.000 0.827 258 A HN 2.460 nan 8.150 nan 0.000 0.443 259 S N 0.428 116.025 115.700 -0.172 0.000 2.359 259 S HA -0.241 4.229 4.470 0.001 0.000 0.224 259 S C 1.634 176.185 174.600 -0.082 0.000 1.035 259 S CA 1.648 59.792 58.200 -0.093 0.000 1.018 259 S CB -1.046 62.112 63.200 -0.069 0.000 0.876 259 S HN 0.702 nan 8.310 nan 0.000 0.448 260 N N 0.058 118.705 118.700 -0.088 0.000 2.396 260 N HA 0.061 4.801 4.740 0.001 0.000 0.180 260 N C 1.401 176.882 175.510 -0.049 0.000 1.028 260 N CA 0.932 53.944 53.050 -0.062 0.000 0.893 260 N CB -0.195 38.265 38.487 -0.045 0.000 0.967 260 N HN 0.508 nan 8.380 nan 0.000 0.440 261 F N 1.855 121.668 119.950 -0.228 0.000 2.163 261 F HA -0.077 4.450 4.527 0.001 0.000 0.297 261 F C 2.297 178.023 175.800 -0.123 0.000 1.094 261 F CA 1.088 58.979 58.000 -0.183 0.000 1.290 261 F CB -0.336 38.481 39.000 -0.305 0.000 1.017 261 F HN -0.135 nan 8.300 nan 0.000 0.483 262 T N -0.091 114.460 114.554 -0.006 0.000 2.777 262 T HA -0.088 4.262 4.350 0.001 0.000 0.266 262 T C 2.168 176.783 174.700 -0.143 0.000 1.040 262 T CA 1.353 63.414 62.100 -0.066 0.000 1.141 262 T CB -1.160 67.706 68.868 -0.005 0.000 0.868 262 T HN 0.459 nan 8.240 nan 0.000 0.444 263 G N 1.227 109.958 108.800 -0.114 0.000 2.440 263 G HA2 -0.102 3.859 3.960 0.001 0.000 0.218 263 G HA3 -0.102 3.859 3.960 0.001 0.000 0.218 263 G C 1.829 176.647 174.900 -0.136 0.000 1.154 263 G CA 0.971 46.006 45.100 -0.109 0.000 0.767 263 G HN 0.582 nan 8.290 nan 0.000 0.552 264 A N 0.904 123.619 122.820 -0.175 0.000 1.902 264 A HA -0.035 4.285 4.320 0.001 0.000 0.217 264 A C 2.319 179.777 177.584 -0.211 0.000 1.181 264 A CA 1.969 53.901 52.037 -0.175 0.000 0.623 264 A CB -0.360 18.508 19.000 -0.219 0.000 0.818 264 A HN 0.385 nan 8.150 nan 0.000 0.443 265 K N -0.424 119.784 120.400 -0.320 0.000 2.057 265 K HA -0.143 4.178 4.320 0.001 0.000 0.207 265 K C 2.049 178.539 176.600 -0.182 0.000 1.049 265 K CA 1.240 57.356 56.287 -0.284 0.000 0.931 265 K CB -0.171 32.136 32.500 -0.320 0.000 0.714 265 K HN 0.211 nan 8.250 nan 0.000 0.440 266 K N 1.028 121.335 120.400 -0.156 0.000 2.044 266 K HA -0.136 4.185 4.320 0.001 0.000 0.210 266 K C 2.176 178.710 176.600 -0.110 0.000 1.049 266 K CA 1.085 57.299 56.287 -0.122 0.000 0.927 266 K CB -0.552 31.883 32.500 -0.108 0.000 0.713 266 K HN -0.018 nan 8.250 nan 0.000 0.443 267 V N 1.892 121.745 119.914 -0.101 0.000 2.332 267 V HA -0.253 3.868 4.120 0.001 0.000 0.248 267 V C 2.440 178.506 176.094 -0.047 0.000 1.055 267 V CA 1.572 63.825 62.300 -0.078 0.000 1.038 267 V CB -0.387 31.402 31.823 -0.056 0.000 0.651 267 V HN 0.233 nan 8.190 nan 0.000 0.450 268 L N -0.831 120.362 121.223 -0.051 0.000 2.056 268 L HA -0.119 4.221 4.340 0.001 0.000 0.207 268 L C 2.473 179.285 176.870 -0.097 0.000 1.078 268 L CA 0.952 55.762 54.840 -0.050 0.000 0.749 268 L CB -0.724 41.286 42.059 -0.081 0.000 0.901 268 L HN 0.180 nan 8.230 nan 0.000 0.433 269 V N 0.511 120.351 119.914 -0.122 0.000 2.287 269 V HA -0.317 3.804 4.120 0.001 0.000 0.248 269 V C 2.055 178.083 176.094 -0.109 0.000 1.053 269 V CA 2.301 64.522 62.300 -0.132 0.000 1.027 269 V CB -0.780 30.965 31.823 -0.129 0.000 0.646 269 V HN 0.526 nan 8.190 nan 0.000 0.447 270 N N -0.217 118.424 118.700 -0.100 0.000 2.188 270 N HA -0.172 4.569 4.740 0.001 0.000 0.184 270 N C 1.760 177.215 175.510 -0.092 0.000 1.018 270 N CA 1.095 54.084 53.050 -0.101 0.000 0.858 270 N CB -0.162 38.258 38.487 -0.112 0.000 0.989 270 N HN 0.339 nan 8.380 nan 0.000 0.426 271 L N 1.531 122.720 121.223 -0.057 0.000 2.017 271 L HA -0.077 4.264 4.340 0.001 0.000 0.208 271 L C 1.843 178.736 176.870 0.039 0.000 1.073 271 L CA 1.411 56.253 54.840 0.004 0.000 0.745 271 L CB -0.448 41.648 42.059 0.062 0.000 0.894 271 L HN 0.150 nan 8.230 nan 0.000 0.432 272 I N -0.292 120.269 120.570 -0.015 0.000 2.151 272 I HA -0.315 3.856 4.170 0.001 0.000 0.243 272 I C 2.528 178.653 176.117 0.014 0.000 1.080 272 I CA 1.661 62.941 61.300 -0.033 0.000 1.339 272 I CB -0.417 37.438 38.000 -0.243 0.000 1.039 272 I HN 0.398 nan 8.210 nan 0.000 0.409 273 E N 1.603 121.783 120.200 -0.032 0.000 2.058 273 E HA -0.284 4.067 4.350 0.001 0.000 0.194 273 E C 2.090 178.694 176.600 0.006 0.000 0.997 273 E CA 1.760 58.144 56.400 -0.026 0.000 0.801 273 E CB -0.190 29.471 29.700 -0.066 0.000 0.746 273 E HN 0.294 nan 8.360 nan 0.000 0.450 274 K N -0.471 119.911 120.400 -0.030 0.000 2.097 274 K HA -0.061 4.260 4.320 0.001 0.000 0.205 274 K C 2.019 178.716 176.600 0.161 0.000 1.050 274 K CA 1.182 57.427 56.287 -0.070 0.000 0.938 274 K CB -0.014 32.220 32.500 -0.444 0.000 0.718 274 K HN 0.077 nan 8.250 nan 0.000 0.442 275 V N 1.220 121.281 119.914 0.244 0.000 2.295 275 V HA -0.252 3.868 4.120 0.001 0.000 0.246 275 V C 2.375 178.621 176.094 0.253 0.000 1.049 275 V CA 2.052 64.526 62.300 0.290 0.000 1.024 275 V CB -0.638 31.326 31.823 0.234 0.000 0.648 275 V HN 0.481 nan 8.190 nan 0.000 0.447 276 A N 0.605 123.541 122.820 0.194 0.000 1.933 276 A HA -0.213 4.107 4.320 0.001 0.000 0.218 276 A C 2.538 180.218 177.584 0.161 0.000 1.175 276 A CA 2.190 54.321 52.037 0.156 0.000 0.628 276 A CB -0.775 18.288 19.000 0.105 0.000 0.814 276 A HN 0.702 nan 8.150 nan 0.000 0.444 277 S N -1.756 114.053 115.700 0.181 0.000 2.419 277 S HA -0.165 4.306 4.470 0.001 0.000 0.233 277 S C 1.542 176.267 174.600 0.208 0.000 1.016 277 S CA 1.269 59.568 58.200 0.165 0.000 0.974 277 S CB -0.683 62.612 63.200 0.158 0.000 0.786 277 S HN 0.526 nan 8.310 nan 0.000 0.492 278 Y N 2.144 122.524 120.300 0.134 0.000 2.471 278 Y HA 0.365 4.915 4.550 0.001 0.000 0.286 278 Y C 1.950 177.913 175.900 0.106 0.000 1.188 278 Y CA -0.489 57.703 58.100 0.153 0.000 1.286 278 Y CB -0.399 38.188 38.460 0.212 0.000 1.072 278 Y HN 0.454 nan 8.280 nan 0.000 0.517 279 G N -0.091 108.823 108.800 0.189 0.000 2.148 279 G HA2 -0.274 3.686 3.960 0.001 0.000 0.254 279 G HA3 -0.274 3.686 3.960 0.001 0.000 0.254 279 G C -0.058 174.912 174.900 0.118 0.000 0.981 279 G CA 0.317 45.490 45.100 0.121 0.000 0.670 279 G HN 0.124 nan 8.290 nan 0.000 0.528 280 V N 0.364 120.367 119.914 0.147 0.000 2.498 280 V HA 0.458 4.579 4.120 0.001 0.000 0.279 280 V C 0.665 176.803 176.094 0.072 0.000 1.048 280 V CA -0.001 62.354 62.300 0.092 0.000 0.967 280 V CB 1.642 33.510 31.823 0.075 0.000 0.988 280 V HN 0.255 nan 8.190 nan 0.000 0.473 281 K N 5.968 126.387 120.400 0.032 0.000 2.562 281 K HA 0.389 4.709 4.320 0.001 0.000 0.206 281 K C -2.471 174.103 176.600 -0.044 0.000 1.033 281 K CA -1.213 55.090 56.287 0.027 0.000 1.029 281 K CB 1.369 33.888 32.500 0.032 0.000 1.393 281 K HN 0.550 nan 8.250 nan 0.000 0.539 282 P HA 0.314 nan 4.420 nan 0.000 0.280 282 P C -0.802 176.301 177.300 -0.328 0.000 1.272 282 P CA -0.793 62.134 63.100 -0.288 0.000 0.819 282 P CB 1.229 32.652 31.700 -0.463 0.000 1.122 283 R N 0.466 120.768 120.500 -0.330 0.000 2.349 283 R HA 0.421 4.762 4.340 0.001 0.000 0.299 283 R C -0.580 175.505 176.300 -0.358 0.000 1.027 283 R CA -0.294 55.680 56.100 -0.210 0.000 0.958 283 R CB 0.439 30.654 30.300 -0.140 0.000 1.047 283 R HN 0.488 nan 8.270 nan 0.000 0.468 284 Y N -0.348 119.928 120.300 -0.039 0.000 2.420 284 Y HA 0.472 5.022 4.550 0.001 0.000 0.334 284 Y C 0.879 176.784 175.900 0.008 0.000 1.094 284 Y CA -0.528 57.545 58.100 -0.046 0.000 1.126 284 Y CB 2.301 40.778 38.460 0.029 0.000 1.217 284 Y HN 0.676 nan 8.280 nan 0.000 0.462 285 G N 2.496 111.397 108.800 0.168 0.000 2.470 285 G HA2 0.565 4.526 3.960 0.001 0.000 0.320 285 G HA3 0.565 4.526 3.960 0.001 0.000 0.320 285 G C -2.209 172.863 174.900 0.287 0.000 1.245 285 G CA -0.533 44.718 45.100 0.252 0.000 0.935 285 G HN 0.439 nan 8.290 nan 0.000 0.476 286 L N 3.103 124.504 121.223 0.295 0.000 2.404 286 L HA 0.736 5.077 4.340 0.001 0.000 0.272 286 L C -1.006 176.095 176.870 0.384 0.000 0.980 286 L CA -0.778 54.225 54.840 0.271 0.000 0.836 286 L CB 1.952 44.126 42.059 0.192 0.000 1.238 286 L HN 0.325 nan 8.230 nan 0.000 0.408 287 V N 2.968 123.098 119.914 0.360 0.000 2.709 287 V HA 0.754 4.874 4.120 0.001 0.000 0.308 287 V C -0.070 176.290 176.094 0.443 0.000 1.062 287 V CA -0.349 62.213 62.300 0.437 0.000 0.901 287 V CB 2.261 34.272 31.823 0.313 0.000 1.003 287 V HN 0.837 nan 8.190 nan 0.000 0.425 288 T N 1.169 116.069 114.554 0.577 0.000 2.932 288 T HA 0.907 5.258 4.350 0.001 0.000 0.289 288 T C -0.955 173.915 174.700 0.284 0.000 1.039 288 T CA -0.693 61.658 62.100 0.420 0.000 1.024 288 T CB 2.106 71.292 68.868 0.531 0.000 1.090 288 T HN 1.123 nan 8.240 nan 0.000 0.496 289 Y N -1.066 119.061 120.300 -0.288 0.000 2.624 289 Y HA 0.857 5.408 4.550 0.001 0.000 0.334 289 Y C -0.472 175.255 175.900 -0.288 0.000 1.155 289 Y CA -0.969 56.969 58.100 -0.269 0.000 1.046 289 Y CB 0.898 39.389 38.460 0.052 0.000 1.316 289 Y HN 1.019 nan 8.280 nan 0.000 0.457 290 A N 1.021 123.882 122.820 0.068 0.000 2.588 290 A HA 0.380 4.701 4.320 0.001 0.000 0.172 290 A C 1.008 178.690 177.584 0.163 0.000 1.149 290 A CA 0.318 52.379 52.037 0.040 0.000 1.987 290 A CB -0.362 18.708 19.000 0.116 0.000 2.500 290 A HN 0.785 nan 8.150 nan 0.000 0.982 291 T N -0.095 114.511 114.554 0.087 0.000 2.720 291 T HA 0.061 4.412 4.350 0.001 0.000 0.268 291 T C 0.093 174.603 174.700 -0.317 0.000 1.037 291 T CA 1.912 63.927 62.100 -0.141 0.000 1.144 291 T CB -0.437 68.308 68.868 -0.205 0.000 0.864 291 T HN 0.379 nan 8.240 nan 0.000 0.444 292 Y N -0.387 120.047 120.300 0.223 0.000 2.605 292 Y HA 0.471 5.022 4.550 0.001 0.000 0.343 292 Y C -2.680 173.422 175.900 0.337 0.000 1.036 292 Y CA -3.010 55.209 58.100 0.198 0.000 1.065 292 Y CB 1.660 40.176 38.460 0.094 0.000 1.288 292 Y HN -0.172 nan 8.280 nan 0.000 0.481 293 P HA 0.325 nan 4.420 nan 0.000 0.282 293 P C -1.571 175.938 177.300 0.350 0.000 1.259 293 P CA -0.910 62.440 63.100 0.417 0.000 0.826 293 P CB 1.075 32.924 31.700 0.249 0.000 1.064 294 K N 2.297 122.947 120.400 0.416 0.000 2.507 294 K HA 0.404 4.724 4.320 0.001 0.000 0.252 294 K C -1.015 175.647 176.600 0.103 0.000 0.943 294 K CA -0.567 55.801 56.287 0.134 0.000 0.808 294 K CB 0.779 33.316 32.500 0.062 0.000 1.142 294 K HN 0.295 nan 8.250 nan 0.000 0.426 295 I N 5.185 125.744 120.570 -0.018 0.000 2.312 295 I HA 0.105 4.275 4.170 0.001 0.000 0.291 295 I C 0.183 176.280 176.117 -0.033 0.000 1.031 295 I CA -0.316 61.030 61.300 0.077 0.000 1.293 295 I CB 0.163 38.215 38.000 0.088 0.000 1.403 295 I HN 0.832 nan 8.210 nan 0.000 0.484 296 W N 5.162 126.544 121.300 0.137 0.000 2.683 296 W HA 0.205 4.866 4.660 0.001 0.000 0.267 296 W C 0.292 176.886 176.519 0.125 0.000 1.243 296 W CA 0.280 57.686 57.345 0.102 0.000 1.380 296 W CB 0.141 29.641 29.460 0.067 0.000 1.063 296 W HN 0.157 nan 8.180 nan 0.000 0.599 297 V N 0.936 121.077 119.914 0.379 0.000 2.851 297 V HA 0.324 4.445 4.120 0.001 0.000 0.307 297 V C -0.470 175.805 176.094 0.301 0.000 1.129 297 V CA -1.635 60.884 62.300 0.365 0.000 0.932 297 V CB 2.124 34.172 31.823 0.376 0.000 1.024 297 V HN -0.233 nan 8.190 nan 0.000 0.426 298 K N 1.698 122.256 120.400 0.263 0.000 2.207 298 K HA 0.499 4.819 4.320 0.001 0.000 0.255 298 K C 0.952 177.658 176.600 0.177 0.000 0.941 298 K CA -0.669 55.743 56.287 0.208 0.000 0.825 298 K CB 2.469 35.064 32.500 0.158 0.000 1.119 298 K HN 0.557 nan 8.250 nan 0.000 0.430 299 V N -1.015 118.995 119.914 0.160 0.000 2.594 299 V HA -0.238 3.882 4.120 0.001 0.000 0.253 299 V C 1.830 177.964 176.094 0.067 0.000 1.069 299 V CA 2.061 64.416 62.300 0.091 0.000 1.082 299 V CB -0.778 31.087 31.823 0.071 0.000 0.680 299 V HN 0.843 nan 8.190 nan 0.000 0.469 300 S N -0.438 115.308 115.700 0.076 0.000 2.515 300 S HA 0.001 4.471 4.470 0.001 0.000 0.231 300 S C 0.759 175.373 174.600 0.023 0.000 0.987 300 S CA 0.176 58.403 58.200 0.045 0.000 0.936 300 S CB -0.729 62.498 63.200 0.046 0.000 0.766 300 S HN 0.796 nan 8.310 nan 0.000 0.528 301 E N 0.763 120.982 120.200 0.032 0.000 2.360 301 E HA 0.432 4.783 4.350 0.001 0.000 0.269 301 E C 1.174 177.733 176.600 -0.068 0.000 1.022 301 E CA 0.085 56.473 56.400 -0.019 0.000 0.887 301 E CB 0.969 30.666 29.700 -0.005 0.000 0.990 301 E HN 0.394 nan 8.360 nan 0.000 0.426 302 A N 3.991 126.745 122.820 -0.111 0.000 1.940 302 A HA -0.207 4.114 4.320 0.001 0.000 0.219 302 A C 1.310 178.789 177.584 -0.176 0.000 1.176 302 A CA 1.527 53.492 52.037 -0.119 0.000 0.631 302 A CB -0.146 18.783 19.000 -0.119 0.000 0.814 302 A HN 0.568 nan 8.150 nan 0.000 0.446 303 D N -0.091 120.097 120.400 -0.353 0.000 2.363 303 D HA -0.040 4.600 4.640 0.001 0.000 0.226 303 D C 2.056 178.222 176.300 -0.224 0.000 1.020 303 D CA 1.052 54.729 54.000 -0.538 0.000 0.892 303 D CB -0.181 39.757 40.800 -1.436 0.000 0.900 303 D HN 0.605 nan 8.370 nan 0.000 0.531 304 S N -0.265 115.412 115.700 -0.038 0.000 2.507 304 S HA -0.110 4.360 4.470 0.001 0.000 0.235 304 S C 1.731 176.473 174.600 0.237 0.000 0.988 304 S CA 0.867 59.192 58.200 0.208 0.000 0.944 304 S CB -0.225 63.075 63.200 0.167 0.000 0.762 304 S HN 0.172 nan 8.310 nan 0.000 0.526 305 S N 0.314 116.089 115.700 0.125 0.000 2.557 305 S HA 0.225 4.696 4.470 0.001 0.000 0.223 305 S C 0.123 174.814 174.600 0.153 0.000 0.969 305 S CA -0.643 57.634 58.200 0.128 0.000 0.927 305 S CB -0.862 62.359 63.200 0.036 0.000 0.806 305 S HN 0.625 nan 8.310 nan 0.000 0.489 306 N N 1.040 119.841 118.700 0.169 0.000 2.558 306 N HA 0.518 5.258 4.740 0.001 0.000 0.233 306 N C 1.134 176.776 175.510 0.221 0.000 1.038 306 N CA 0.039 53.187 53.050 0.164 0.000 0.934 306 N CB 0.636 39.199 38.487 0.125 0.000 1.175 306 N HN 0.258 nan 8.380 nan 0.000 0.512 307 A N 3.115 126.034 122.820 0.166 0.000 1.986 307 A HA -0.202 4.119 4.320 0.001 0.000 0.220 307 A C 1.650 179.262 177.584 0.047 0.000 1.171 307 A CA 1.460 53.554 52.037 0.095 0.000 0.640 307 A CB -0.191 18.863 19.000 0.090 0.000 0.811 307 A HN 0.713 nan 8.150 nan 0.000 0.451 308 D N -1.861 118.591 120.400 0.086 0.000 2.123 308 D HA -0.120 4.521 4.640 0.001 0.000 0.200 308 D C 1.550 177.906 176.300 0.093 0.000 0.976 308 D CA 0.993 55.030 54.000 0.062 0.000 0.831 308 D CB -0.390 40.453 40.800 0.071 0.000 0.974 308 D HN 0.733 nan 8.370 nan 0.000 0.469 309 W N 1.547 122.841 121.300 -0.011 0.000 2.355 309 W HA -0.196 4.465 4.660 0.001 0.000 0.309 309 W C 2.115 178.627 176.519 -0.012 0.000 1.206 309 W CA 1.237 58.583 57.345 0.001 0.000 1.284 309 W CB -0.417 29.057 29.460 0.022 0.000 1.145 309 W HN -0.246 nan 8.180 nan 0.000 0.502 310 V N 0.329 120.315 119.914 0.121 0.000 2.287 310 V HA -0.363 3.757 4.120 0.001 0.000 0.248 310 V C 2.221 178.167 176.094 -0.246 0.000 1.053 310 V CA 2.531 64.769 62.300 -0.102 0.000 1.027 310 V CB -1.550 30.234 31.823 -0.066 0.000 0.646 310 V HN 0.212 nan 8.190 nan 0.000 0.447 311 T N -0.473 113.966 114.554 -0.191 0.000 2.759 311 T HA -0.259 4.092 4.350 0.001 0.000 0.269 311 T C 1.941 176.519 174.700 -0.204 0.000 1.042 311 T CA 1.916 63.900 62.100 -0.194 0.000 1.140 311 T CB -0.216 68.569 68.868 -0.138 0.000 0.864 311 T HN 0.510 nan 8.240 nan 0.000 0.455 312 K N 0.509 120.781 120.400 -0.214 0.000 2.057 312 K HA -0.157 4.163 4.320 0.001 0.000 0.207 312 K C 2.407 178.831 176.600 -0.294 0.000 1.049 312 K CA 1.089 57.241 56.287 -0.225 0.000 0.931 312 K CB 0.004 32.374 32.500 -0.218 0.000 0.714 312 K HN 0.151 nan 8.250 nan 0.000 0.440 313 Q N 0.837 120.374 119.800 -0.438 0.000 2.030 313 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 313 Q C 2.190 177.994 176.000 -0.327 0.000 0.986 313 Q CA 1.165 56.728 55.803 -0.400 0.000 0.843 313 Q CB -0.686 27.749 28.738 -0.505 0.000 0.904 313 Q HN 0.306 nan 8.270 nan 0.000 0.420 314 L N 1.500 122.532 121.223 -0.318 0.000 2.042 314 L HA -0.189 4.152 4.340 0.001 0.000 0.210 314 L C 1.599 178.304 176.870 -0.276 0.000 1.076 314 L CA 1.859 56.508 54.840 -0.319 0.000 0.749 314 L CB -0.833 41.066 42.059 -0.266 0.000 0.893 314 L HN 0.252 nan 8.230 nan 0.000 0.432 315 N N -0.888 117.682 118.700 -0.217 0.000 2.223 315 N HA -0.193 4.548 4.740 0.001 0.000 0.185 315 N C 1.444 176.870 175.510 -0.140 0.000 1.016 315 N CA 1.256 54.211 53.050 -0.159 0.000 0.863 315 N CB -0.045 38.364 38.487 -0.130 0.000 0.983 315 N HN 0.536 nan 8.380 nan 0.000 0.429 316 E N 0.447 120.550 120.200 -0.162 0.000 2.358 316 E HA 0.044 4.394 4.350 0.001 0.000 0.195 316 E C 0.114 176.634 176.600 -0.133 0.000 1.010 316 E CA 0.103 56.438 56.400 -0.108 0.000 0.856 316 E CB 0.292 29.952 29.700 -0.068 0.000 0.795 316 E HN 0.358 nan 8.360 nan 0.000 0.504 317 I N 2.398 122.781 120.570 -0.312 0.000 2.587 317 I HA -0.046 4.125 4.170 0.001 0.000 0.284 317 I C 0.175 176.254 176.117 -0.064 0.000 1.134 317 I CA 0.083 61.117 61.300 -0.443 0.000 1.410 317 I CB 0.186 37.710 38.000 -0.792 0.000 1.392 317 I HN -0.009 nan 8.210 nan 0.000 0.545 318 N N 4.289 123.016 118.700 0.044 0.000 2.399 318 N HA 0.114 4.855 4.740 0.001 0.000 0.295 318 N C 0.659 176.217 175.510 0.081 0.000 1.048 318 N CA -0.542 52.574 53.050 0.110 0.000 0.886 318 N CB 0.931 39.469 38.487 0.085 0.000 1.185 318 N HN 0.421 nan 8.380 nan 0.000 0.487 319 Y N 2.552 122.756 120.300 -0.160 0.000 2.069 319 Y HA -0.297 4.254 4.550 0.001 0.000 0.278 319 Y C 2.227 177.937 175.900 -0.317 0.000 1.175 319 Y CA 2.873 60.601 58.100 -0.620 0.000 1.134 319 Y CB -0.699 37.474 38.460 -0.477 0.000 0.965 319 Y HN 0.774 nan 8.280 nan 0.000 0.498 320 E N 0.081 120.169 120.200 -0.188 0.000 2.401 320 E HA -0.171 4.179 4.350 0.001 0.000 0.199 320 E C 1.582 178.116 176.600 -0.110 0.000 1.023 320 E CA 1.372 57.648 56.400 -0.207 0.000 0.859 320 E CB -0.922 28.736 29.700 -0.070 0.000 0.780 320 E HN 0.658 nan 8.360 nan 0.000 0.523 321 D N -0.558 119.839 120.400 -0.005 0.000 2.144 321 D HA -0.042 4.599 4.640 0.001 0.000 0.199 321 D C 0.525 176.872 176.300 0.079 0.000 0.984 321 D CA 1.017 55.084 54.000 0.112 0.000 0.834 321 D CB -0.402 40.606 40.800 0.347 0.000 0.955 321 D HN 0.660 nan 8.370 nan 0.000 0.465 322 H N 1.242 120.304 119.070 -0.013 0.000 2.723 322 H HA 0.111 4.667 4.556 0.001 0.000 0.294 322 H C 0.243 175.507 175.328 -0.106 0.000 1.079 322 H CA -0.366 55.676 56.048 -0.010 0.000 1.411 322 H CB 0.345 30.108 29.762 0.002 0.000 1.439 322 H HN -0.275 nan 8.280 nan 0.000 0.474 323 K N 4.164 124.463 120.400 -0.167 0.000 2.179 323 K HA 0.211 4.532 4.320 0.001 0.000 0.238 323 K C 0.349 176.953 176.600 0.008 0.000 1.033 323 K CA -0.906 55.333 56.287 -0.080 0.000 0.926 323 K CB 0.596 33.046 32.500 -0.082 0.000 1.151 323 K HN 0.782 nan 8.250 nan 0.000 0.492 324 L N 0.428 121.655 121.223 0.007 0.000 3.746 324 L HA -0.273 4.067 4.340 0.001 0.000 0.542 324 L C 0.685 177.576 176.870 0.035 0.000 1.268 324 L CA 0.367 55.227 54.840 0.033 0.000 0.818 324 L CB -1.329 40.778 42.059 0.079 0.000 1.472 324 L HN 0.622 nan 8.230 nan 0.000 0.843 325 K N -0.697 119.699 120.400 -0.006 0.000 2.486 325 K HA 0.030 4.350 4.320 0.001 0.000 0.194 325 K C 1.700 178.294 176.600 -0.010 0.000 1.033 325 K CA 0.857 57.129 56.287 -0.024 0.000 1.004 325 K CB 0.134 32.579 32.500 -0.092 0.000 0.798 325 K HN 0.448 nan 8.250 nan 0.000 0.495 326 S N 0.613 116.310 115.700 -0.005 0.000 2.481 326 S HA -0.017 4.454 4.470 0.001 0.000 0.231 326 S C 0.929 175.528 174.600 -0.002 0.000 0.996 326 S CA 0.480 58.679 58.200 -0.002 0.000 0.942 326 S CB 0.216 63.415 63.200 -0.002 0.000 0.768 326 S HN 0.441 nan 8.310 nan 0.000 0.520 327 G N 0.130 108.928 108.800 -0.004 0.000 2.454 327 G HA2 0.556 4.517 3.960 0.001 0.000 0.329 327 G HA3 0.556 4.517 3.960 0.001 0.000 0.329 327 G C -1.132 173.778 174.900 0.017 0.000 1.177 327 G CA -0.430 44.666 45.100 -0.006 0.000 0.951 327 G HN 0.084 nan 8.290 nan 0.000 0.485 328 T N 0.393 114.976 114.554 0.050 0.000 3.078 328 T HA 0.260 4.610 4.350 0.001 0.000 0.328 328 T C -0.465 174.356 174.700 0.203 0.000 0.987 328 T CA -0.527 61.646 62.100 0.121 0.000 1.049 328 T CB 0.517 69.450 68.868 0.109 0.000 1.011 328 T HN 0.548 nan 8.240 nan 0.000 0.463 329 N N 2.007 120.850 118.700 0.239 0.000 2.936 329 N HA 0.211 4.952 4.740 0.001 0.000 0.243 329 N C 1.238 176.807 175.510 0.099 0.000 1.149 329 N CA -0.295 52.841 53.050 0.145 0.000 0.914 329 N CB 0.563 39.066 38.487 0.028 0.000 1.179 329 N HN 0.299 nan 8.380 nan 0.000 0.502 330 T N 1.024 115.626 114.554 0.081 0.000 2.788 330 T HA -0.183 4.168 4.350 0.001 0.000 0.268 330 T C 1.767 176.302 174.700 -0.274 0.000 1.044 330 T CA 1.038 63.020 62.100 -0.198 0.000 1.139 330 T CB -0.029 68.800 68.868 -0.065 0.000 0.867 330 T HN 0.502 nan 8.240 nan 0.000 0.454 331 K N 1.334 121.614 120.400 -0.201 0.000 2.044 331 K HA -0.181 4.140 4.320 0.001 0.000 0.210 331 K C 2.211 178.726 176.600 -0.142 0.000 1.049 331 K CA 1.475 57.657 56.287 -0.174 0.000 0.927 331 K CB -0.069 32.348 32.500 -0.138 0.000 0.713 331 K HN 0.207 nan 8.250 nan 0.000 0.443 332 K N -0.037 120.302 120.400 -0.103 0.000 2.057 332 K HA -0.125 4.195 4.320 0.001 0.000 0.207 332 K C 2.224 178.772 176.600 -0.087 0.000 1.049 332 K CA 1.167 57.424 56.287 -0.051 0.000 0.931 332 K CB -0.202 32.313 32.500 0.026 0.000 0.714 332 K HN 0.277 nan 8.250 nan 0.000 0.440 333 A N 1.634 124.314 122.820 -0.233 0.000 1.908 333 A HA -0.171 4.150 4.320 0.001 0.000 0.218 333 A C 2.106 179.573 177.584 -0.194 0.000 1.181 333 A CA 1.416 53.260 52.037 -0.322 0.000 0.627 333 A CB -0.703 17.703 19.000 -0.990 0.000 0.818 333 A HN 0.186 nan 8.150 nan 0.000 0.445 334 L N -1.005 120.095 121.223 -0.204 0.000 2.201 334 L HA -0.202 4.138 4.340 0.001 0.000 0.212 334 L C 2.766 179.596 176.870 -0.066 0.000 1.105 334 L CA 1.147 55.908 54.840 -0.132 0.000 0.775 334 L CB -0.551 41.426 42.059 -0.137 0.000 0.913 334 L HN 0.512 nan 8.230 nan 0.000 0.440 335 Q N -0.125 119.643 119.800 -0.055 0.000 2.167 335 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 335 Q C 2.463 178.503 176.000 0.066 0.000 0.970 335 Q CA 1.319 57.124 55.803 0.004 0.000 0.855 335 Q CB -0.156 28.564 28.738 -0.030 0.000 0.911 335 Q HN 0.550 nan 8.270 nan 0.000 0.438 336 A N 0.348 123.188 122.820 0.035 0.000 1.972 336 A HA -0.120 4.200 4.320 0.001 0.000 0.219 336 A C 2.255 179.865 177.584 0.043 0.000 1.169 336 A CA 1.150 53.223 52.037 0.061 0.000 0.635 336 A CB -0.427 18.620 19.000 0.078 0.000 0.810 336 A HN 0.204 nan 8.150 nan 0.000 0.446 337 V N -1.691 118.211 119.914 -0.020 0.000 2.453 337 V HA -0.222 3.898 4.120 0.001 0.000 0.247 337 V C 2.278 178.260 176.094 -0.186 0.000 1.048 337 V CA 1.772 63.970 62.300 -0.169 0.000 1.049 337 V CB -1.005 30.627 31.823 -0.319 0.000 0.672 337 V HN 0.709 nan 8.190 nan 0.000 0.457 338 Y N 1.559 121.751 120.300 -0.180 0.000 2.165 338 Y HA -0.267 4.283 4.550 0.001 0.000 0.286 338 Y C 2.734 178.580 175.900 -0.090 0.000 1.155 338 Y CA 1.942 59.953 58.100 -0.148 0.000 1.164 338 Y CB -0.248 38.145 38.460 -0.111 0.000 0.978 338 Y HN 0.223 nan 8.280 nan 0.000 0.513 339 S N 0.260 115.993 115.700 0.055 0.000 2.383 339 S HA -0.235 4.235 4.470 0.001 0.000 0.229 339 S C 1.926 176.503 174.600 -0.039 0.000 1.030 339 S CA 1.740 59.952 58.200 0.020 0.000 1.002 339 S CB -0.377 62.870 63.200 0.077 0.000 0.829 339 S HN 0.521 nan 8.310 nan 0.000 0.467 340 M N 0.117 119.710 119.600 -0.011 0.000 2.394 340 M HA 0.042 4.522 4.480 0.001 0.000 0.264 340 M C 1.876 178.197 176.300 0.035 0.000 1.073 340 M CA 1.125 56.465 55.300 0.067 0.000 1.111 340 M CB -0.356 32.375 32.600 0.219 0.000 1.401 340 M HN 0.349 nan 8.290 nan 0.000 0.448 341 M N -0.835 118.690 119.600 -0.126 0.000 2.447 341 M HA 0.030 4.510 4.480 0.001 0.000 0.266 341 M C 1.167 177.324 176.300 -0.238 0.000 1.120 341 M CA 0.109 55.305 55.300 -0.173 0.000 1.166 341 M CB 0.005 32.381 32.600 -0.373 0.000 1.349 341 M HN 0.122 nan 8.290 nan 0.000 0.463 342 S N -0.351 115.122 115.700 -0.379 0.000 2.573 342 S HA 0.223 4.693 4.470 0.001 0.000 0.277 342 S C -0.490 174.031 174.600 -0.132 0.000 1.346 342 S CA -0.510 57.501 58.200 -0.316 0.000 1.034 342 S CB -0.114 62.867 63.200 -0.364 0.000 0.879 342 S HN 0.392 nan 8.310 nan 0.000 0.528 343 W N -0.209 121.037 121.300 -0.090 0.000 2.606 343 W HA 0.750 5.410 4.660 0.001 0.000 0.332 343 W C -0.585 175.920 176.519 -0.023 0.000 1.052 343 W CA -1.905 55.414 57.345 -0.043 0.000 1.223 343 W CB -1.021 28.419 29.460 -0.034 0.000 1.383 343 W HN 1.311 nan 8.180 nan 0.000 0.524 352 W N 2.404 123.709 121.300 0.007 0.000 2.379 352 W HA -0.076 4.585 4.660 0.001 0.000 0.307 352 W C 1.885 178.416 176.519 0.021 0.000 1.200 352 W CA 1.514 58.876 57.345 0.027 0.000 1.297 352 W CB -0.588 28.878 29.460 0.010 0.000 1.140 352 W HN 0.692 nan 8.180 nan 0.000 0.507 353 N N 1.668 120.341 118.700 -0.046 0.000 2.651 353 N HA -0.028 4.712 4.740 0.001 0.000 0.193 353 N C 1.300 176.709 175.510 -0.169 0.000 1.149 353 N CA 1.836 54.793 53.050 -0.155 0.000 0.933 353 N CB -1.002 37.380 38.487 -0.175 0.000 0.974 353 N HN 0.559 nan 8.380 nan 0.000 0.448 354 R N 0.058 120.567 120.500 0.014 0.000 2.365 354 R HA 0.158 4.498 4.340 0.001 0.000 0.223 354 R C 0.959 177.394 176.300 0.226 0.000 0.899 354 R CA 0.290 56.476 56.100 0.143 0.000 1.059 354 R CB -0.886 29.463 30.300 0.082 0.000 1.086 354 R HN 0.315 nan 8.270 nan 0.000 0.522 355 T N 1.557 116.214 114.554 0.171 0.000 2.817 355 T HA 0.550 4.900 4.350 0.001 0.000 0.293 355 T C 0.352 175.118 174.700 0.111 0.000 0.964 355 T CA 0.094 62.232 62.100 0.063 0.000 1.085 355 T CB 1.148 69.997 68.868 -0.032 0.000 0.921 355 T HN 0.696 nan 8.240 nan 0.000 0.502 356 R N 1.752 122.215 120.500 -0.061 0.000 2.404 356 R HA 0.557 4.897 4.340 0.001 0.000 0.291 356 R C -0.691 175.467 176.300 -0.238 0.000 1.025 356 R CA -0.590 55.484 56.100 -0.043 0.000 0.991 356 R CB -0.225 29.989 30.300 -0.143 0.000 1.053 356 R HN 0.901 nan 8.270 nan 0.000 0.479 357 H N -0.402 118.748 119.070 0.133 0.000 2.489 357 H HA 0.596 5.152 4.556 0.001 0.000 0.343 357 H C -0.986 174.452 175.328 0.184 0.000 1.086 357 H CA -0.706 55.464 56.048 0.204 0.000 1.198 357 H CB 2.202 32.126 29.762 0.271 0.000 1.490 357 H HN 0.398 nan 8.280 nan 0.000 0.504 358 V N 5.210 125.296 119.914 0.287 0.000 2.443 358 V HA 0.293 4.413 4.120 0.001 0.000 0.293 358 V C -0.147 176.154 176.094 0.345 0.000 1.021 358 V CA -0.555 61.900 62.300 0.259 0.000 0.848 358 V CB 1.212 33.131 31.823 0.161 0.000 0.998 358 V HN 0.675 nan 8.190 nan 0.000 0.424 359 I N 5.763 126.517 120.570 0.307 0.000 2.336 359 I HA 0.489 4.659 4.170 0.001 0.000 0.292 359 I C -0.475 175.745 176.117 0.172 0.000 0.991 359 I CA -0.373 61.083 61.300 0.260 0.000 1.227 359 I CB 1.626 39.702 38.000 0.127 0.000 1.366 359 I HN 0.438 nan 8.210 nan 0.000 0.466 360 I N 7.434 128.062 120.570 0.097 0.000 2.437 360 I HA 0.243 4.414 4.170 0.001 0.000 0.279 360 I C -0.825 175.230 176.117 -0.104 0.000 1.028 360 I CA -0.599 60.639 61.300 -0.103 0.000 1.142 360 I CB 1.658 39.557 38.000 -0.168 0.000 1.266 360 I HN 0.348 nan 8.210 nan 0.000 0.461 361 L N 7.936 129.088 121.223 -0.119 0.000 2.282 361 L HA 0.564 4.905 4.340 0.001 0.000 0.288 361 L C -0.641 176.227 176.870 -0.005 0.000 1.033 361 L CA 0.008 54.841 54.840 -0.011 0.000 0.807 361 L CB 1.163 43.239 42.059 0.027 0.000 1.209 361 L HN 0.486 nan 8.230 nan 0.000 0.423 362 M N 5.685 125.339 119.600 0.090 0.000 2.043 362 M HA 0.458 4.938 4.480 0.001 0.000 0.322 362 M C -0.341 176.052 176.300 0.155 0.000 0.962 362 M CA -0.191 55.189 55.300 0.133 0.000 0.927 362 M CB 1.454 34.123 32.600 0.115 0.000 1.466 362 M HN 0.756 nan 8.290 nan 0.000 0.412 363 T N -0.269 114.379 114.554 0.157 0.000 2.769 363 T HA 0.255 4.605 4.350 0.001 0.000 0.306 363 T C -0.711 174.064 174.700 0.123 0.000 1.400 363 T CA -0.577 61.609 62.100 0.144 0.000 1.007 363 T CB 1.362 70.365 68.868 0.224 0.000 1.392 363 T HN 0.765 nan 8.240 nan 0.000 0.500 364 D N -0.084 120.376 120.400 0.101 0.000 2.339 364 D HA 0.272 4.912 4.640 0.001 0.000 0.217 364 D C 1.490 177.847 176.300 0.095 0.000 1.050 364 D CA 0.824 54.874 54.000 0.084 0.000 0.856 364 D CB -0.392 40.443 40.800 0.058 0.000 0.922 364 D HN 1.212 nan 8.370 nan 0.000 0.518 365 G N 0.557 109.435 108.800 0.131 0.000 2.168 365 G HA2 -0.295 3.666 3.960 0.001 0.000 0.263 365 G HA3 -0.295 3.666 3.960 0.001 0.000 0.263 365 G C 0.348 175.336 174.900 0.147 0.000 0.977 365 G CA 0.365 45.558 45.100 0.155 0.000 0.659 365 G HN 0.444 nan 8.290 nan 0.000 0.533 366 L N 3.170 124.452 121.223 0.099 0.000 2.796 366 L HA 0.258 4.598 4.340 0.001 0.000 0.235 366 L C 1.320 178.197 176.870 0.013 0.000 1.344 366 L CA -0.938 53.912 54.840 0.017 0.000 1.245 366 L CB -0.463 41.600 42.059 0.007 0.000 1.556 366 L HN 0.465 nan 8.230 nan 0.000 0.423 367 H N 0.333 119.444 119.070 0.068 0.000 2.848 367 H HA 0.066 4.623 4.556 0.001 0.000 0.341 367 H C -0.090 175.262 175.328 0.040 0.000 1.060 367 H CA -0.170 55.921 56.048 0.071 0.000 1.444 367 H CB 0.592 30.402 29.762 0.079 0.000 1.446 367 H HN 0.439 nan 8.280 nan 0.000 0.583 368 N N 2.544 121.271 118.700 0.044 0.000 2.194 368 N HA 0.189 4.929 4.740 0.001 0.000 0.231 368 N C -0.597 174.937 175.510 0.040 0.000 1.247 368 N CA -0.341 52.703 53.050 -0.010 0.000 0.884 368 N CB 0.844 39.321 38.487 -0.016 0.000 1.146 368 N HN 0.517 nan 8.380 nan 0.000 0.516 369 M N -0.307 119.355 119.600 0.102 0.000 2.520 369 M HA 0.561 5.041 4.480 0.001 0.000 0.283 369 M C -0.265 176.088 176.300 0.088 0.000 1.237 369 M CA -0.420 54.919 55.300 0.065 0.000 0.885 369 M CB 2.667 35.274 32.600 0.011 0.000 1.727 369 M HN 0.238 nan 8.290 nan 0.000 0.468 370 G N 0.806 109.631 108.800 0.041 0.000 2.829 370 G HA2 0.001 3.961 3.960 0.001 0.000 0.628 370 G HA3 0.001 3.961 3.960 0.001 0.000 0.628 370 G C -0.196 174.728 174.900 0.040 0.000 1.412 370 G CA -0.499 44.614 45.100 0.021 0.000 0.864 370 G HN 1.134 nan 8.290 nan 0.000 0.544 371 G N -0.938 107.862 108.800 0.000 0.000 2.504 371 G HA2 0.475 4.436 3.960 0.001 0.000 0.257 371 G HA3 0.475 4.436 3.960 0.001 0.000 0.257 371 G C -0.210 174.674 174.900 -0.027 0.000 1.451 371 G CA 0.659 45.761 45.100 0.005 0.000 1.059 371 G HN 0.892 nan 8.290 nan 0.000 0.550 372 D N -0.074 120.307 120.400 -0.031 0.000 2.343 372 D HA 0.241 4.882 4.640 0.001 0.000 0.255 372 D C -1.325 174.887 176.300 -0.147 0.000 1.187 372 D CA -1.835 52.122 54.000 -0.072 0.000 0.875 372 D CB 1.585 42.376 40.800 -0.015 0.000 1.136 372 D HN -0.144 nan 8.370 nan 0.000 0.469 373 P HA -0.107 nan 4.420 nan 0.000 0.221 373 P C 1.574 178.791 177.300 -0.138 0.000 1.145 373 P CA 0.413 63.384 63.100 -0.215 0.000 0.795 373 P CB 0.276 31.810 31.700 -0.276 0.000 0.775 374 I N -0.719 119.787 120.570 -0.105 0.000 2.248 374 I HA -0.221 3.950 4.170 0.001 0.000 0.248 374 I C 1.923 177.994 176.117 -0.075 0.000 1.107 374 I CA 1.810 63.066 61.300 -0.073 0.000 1.373 374 I CB -2.018 35.953 38.000 -0.048 0.000 1.055 374 I HN 0.050 nan 8.210 nan 0.000 0.418 375 T N 1.333 115.837 114.554 -0.082 0.000 2.699 375 T HA -0.127 4.223 4.350 0.001 0.000 0.268 375 T C 2.180 176.817 174.700 -0.106 0.000 1.036 375 T CA 1.459 63.507 62.100 -0.086 0.000 1.147 375 T CB -0.320 68.496 68.868 -0.087 0.000 0.862 375 T HN 0.165 nan 8.240 nan 0.000 0.446 376 V N 1.727 121.568 119.914 -0.122 0.000 2.407 376 V HA -0.130 3.990 4.120 0.001 0.000 0.248 376 V C 2.465 178.504 176.094 -0.091 0.000 1.055 376 V CA 1.099 63.316 62.300 -0.138 0.000 1.049 376 V CB -0.609 31.133 31.823 -0.135 0.000 0.662 376 V HN 0.437 nan 8.190 nan 0.000 0.455 377 I N 0.339 120.862 120.570 -0.077 0.000 2.226 377 I HA -0.202 3.969 4.170 0.001 0.000 0.245 377 I C 2.325 178.415 176.117 -0.045 0.000 1.100 377 I CA 1.602 62.868 61.300 -0.057 0.000 1.374 377 I CB -1.323 36.641 38.000 -0.061 0.000 1.057 377 I HN 0.339 nan 8.210 nan 0.000 0.413 378 D N 0.906 121.274 120.400 -0.053 0.000 2.123 378 D HA -0.188 4.452 4.640 0.001 0.000 0.196 378 D C 2.138 178.418 176.300 -0.034 0.000 0.992 378 D CA 1.184 55.157 54.000 -0.044 0.000 0.833 378 D CB -0.103 40.667 40.800 -0.049 0.000 0.954 378 D HN 0.475 nan 8.370 nan 0.000 0.455 379 E N 0.110 120.276 120.200 -0.056 0.000 2.106 379 E HA -0.101 4.249 4.350 0.001 0.000 0.192 379 E C 2.391 179.055 176.600 0.107 0.000 0.984 379 E CA 0.392 56.767 56.400 -0.043 0.000 0.806 379 E CB 0.013 29.568 29.700 -0.241 0.000 0.750 379 E HN 0.341 nan 8.360 nan 0.000 0.458 380 I N 0.860 121.490 120.570 0.101 0.000 2.252 380 I HA -0.257 3.914 4.170 0.001 0.000 0.245 380 I C 2.470 178.593 176.117 0.009 0.000 1.102 380 I CA 1.081 62.440 61.300 0.097 0.000 1.385 380 I CB -0.190 37.821 38.000 0.019 0.000 1.064 380 I HN 0.020 nan 8.210 nan 0.000 0.414 381 R N 0.780 121.279 120.500 -0.003 0.000 2.081 381 R HA -0.163 4.178 4.340 0.001 0.000 0.235 381 R C 2.284 178.579 176.300 -0.008 0.000 1.131 381 R CA 1.816 57.909 56.100 -0.012 0.000 0.960 381 R CB -1.036 29.254 30.300 -0.016 0.000 0.856 381 R HN 0.537 nan 8.270 nan 0.000 0.436 382 D N 1.324 121.727 120.400 0.004 0.000 2.084 382 D HA -0.131 4.510 4.640 0.001 0.000 0.194 382 D C 1.839 178.143 176.300 0.007 0.000 0.990 382 D CA 1.288 55.291 54.000 0.006 0.000 0.826 382 D CB -0.475 40.332 40.800 0.012 0.000 0.971 382 D HN 0.108 nan 8.370 nan 0.000 0.453 383 L N -0.392 120.852 121.223 0.035 0.000 2.081 383 L HA 0.002 4.343 4.340 0.001 0.000 0.212 383 L C 1.941 178.771 176.870 -0.065 0.000 1.080 383 L CA 1.542 56.381 54.840 -0.003 0.000 0.754 383 L CB -0.234 41.815 42.059 -0.016 0.000 0.893 383 L HN 0.402 nan 8.230 nan 0.000 0.433 384 L N -0.863 120.316 121.223 -0.074 0.000 2.653 384 L HA 0.119 4.459 4.340 0.001 0.000 0.231 384 L C 0.789 177.620 176.870 -0.065 0.000 1.153 384 L CA 0.182 54.970 54.840 -0.086 0.000 0.933 384 L CB -1.111 40.889 42.059 -0.099 0.000 1.175 384 L HN 0.347 nan 8.230 nan 0.000 0.473 385 Y N 0.310 120.581 120.300 -0.048 0.000 3.001 385 Y HA -0.225 4.325 4.550 0.001 0.000 0.199 385 Y C 0.051 175.931 175.900 -0.034 0.000 1.320 385 Y CA 0.159 58.233 58.100 -0.043 0.000 0.974 385 Y CB -3.074 35.351 38.460 -0.058 0.000 1.291 385 Y HN 0.290 nan 8.280 nan 0.000 0.465 386 I N 1.173 121.734 120.570 -0.015 0.000 2.404 386 I HA 0.629 4.800 4.170 0.001 0.000 0.293 386 I C 1.187 177.305 176.117 0.001 0.000 0.992 386 I CA -0.235 61.069 61.300 0.006 0.000 1.149 386 I CB 1.981 39.994 38.000 0.023 0.000 1.315 386 I HN 1.362 nan 8.210 nan 0.000 0.446 387 G N 4.626 113.430 108.800 0.006 0.000 2.272 387 G HA2 -0.278 3.682 3.960 0.001 0.000 0.280 387 G HA3 -0.278 3.682 3.960 0.001 0.000 0.280 387 G C 0.404 175.301 174.900 -0.004 0.000 1.067 387 G CA 0.247 45.347 45.100 0.001 0.000 0.902 387 G HN 0.682 nan 8.290 nan 0.000 0.500 388 K N -0.491 119.906 120.400 -0.005 0.000 2.436 388 K HA 0.466 4.786 4.320 0.001 0.000 0.198 388 K C 1.084 177.680 176.600 -0.007 0.000 1.174 388 K CA 1.388 57.670 56.287 -0.008 0.000 0.951 388 K CB 0.838 33.331 32.500 -0.012 0.000 1.040 388 K HN 0.784 nan 8.250 nan 0.000 0.536 389 D N 0.051 120.448 120.400 -0.004 0.000 2.970 389 D HA 0.592 5.233 4.640 0.001 0.000 0.230 389 D C -0.687 175.614 176.300 0.002 0.000 1.276 389 D CA -0.458 53.540 54.000 -0.003 0.000 0.910 389 D CB 0.862 41.658 40.800 -0.006 0.000 1.590 389 D HN 0.258 nan 8.370 nan 0.000 0.551 390 R N -0.455 120.047 120.500 0.003 0.000 2.756 390 R HA 0.718 5.058 4.340 0.001 0.000 0.264 390 R C 1.792 178.098 176.300 0.009 0.000 1.026 390 R CA 1.536 57.641 56.100 0.007 0.000 1.121 390 R CB -1.086 29.217 30.300 0.005 0.000 0.999 390 R HN 2.463 nan 8.270 nan 0.000 0.449 391 K N -0.661 119.747 120.400 0.014 0.000 3.587 391 K HA -0.165 4.155 4.320 0.001 0.000 0.294 391 K C 0.475 177.088 176.600 0.021 0.000 1.279 391 K CA 2.062 58.359 56.287 0.016 0.000 1.004 391 K CB -2.211 30.296 32.500 0.011 0.000 1.276 391 K HN 1.343 nan 8.250 nan 0.000 0.459 392 N N -1.347 117.364 118.700 0.020 0.000 2.581 392 N HA 0.281 5.022 4.740 0.001 0.000 0.274 392 N C -2.551 172.972 175.510 0.021 0.000 1.629 392 N CA -0.388 52.675 53.050 0.021 0.000 0.884 392 N CB 1.164 39.652 38.487 0.001 0.000 1.423 392 N HN 0.231 nan 8.380 nan 0.000 0.507 393 P HA -0.004 nan 4.420 nan 0.000 0.221 393 P C -0.385 176.949 177.300 0.057 0.000 1.150 393 P CA 0.732 63.852 63.100 0.033 0.000 0.800 393 P CB 0.238 31.957 31.700 0.032 0.000 0.787 394 R N -1.133 119.431 120.500 0.107 0.000 3.422 394 R HA -0.172 4.168 4.340 0.001 0.000 0.267 394 R C 0.689 177.134 176.300 0.242 0.000 1.074 394 R CA 0.205 56.444 56.100 0.231 0.000 0.718 394 R CB -1.978 28.366 30.300 0.074 0.000 1.157 394 R HN 0.307 nan 8.270 nan 0.000 0.440 395 E N 0.382 120.665 120.200 0.139 0.000 2.274 395 E HA -0.121 4.230 4.350 0.001 0.000 0.194 395 E C 0.947 177.590 176.600 0.071 0.000 0.996 395 E CA 0.864 57.312 56.400 0.080 0.000 0.840 395 E CB 0.076 29.795 29.700 0.032 0.000 0.772 395 E HN 0.380 nan 8.360 nan 0.000 0.491 396 D N -0.175 120.261 120.400 0.059 0.000 2.310 396 D HA -0.122 4.518 4.640 0.001 0.000 0.212 396 D C 1.023 177.201 176.300 -0.204 0.000 0.965 396 D CA 0.665 54.612 54.000 -0.089 0.000 0.879 396 D CB -0.190 40.495 40.800 -0.193 0.000 0.921 396 D HN 0.300 nan 8.370 nan 0.000 0.510 397 Y N -0.451 119.881 120.300 0.053 0.000 2.490 397 Y HA 0.247 4.798 4.550 0.001 0.000 0.281 397 Y C 0.455 176.436 175.900 0.135 0.000 1.174 397 Y CA -0.152 58.004 58.100 0.093 0.000 1.295 397 Y CB 0.381 38.901 38.460 0.101 0.000 1.062 397 Y HN -0.121 nan 8.280 nan 0.000 0.522 398 L N 0.125 121.448 121.223 0.166 0.000 2.482 398 L HA 0.521 4.862 4.340 0.001 0.000 0.263 398 L C -1.775 175.128 176.870 0.056 0.000 0.957 398 L CA -0.560 54.360 54.840 0.133 0.000 0.836 398 L CB 1.973 44.086 42.059 0.090 0.000 1.324 398 L HN -0.183 nan 8.230 nan 0.000 0.406 399 D N 3.971 124.413 120.400 0.070 0.000 2.863 399 D HA 0.490 5.131 4.640 0.001 0.000 0.245 399 D C -1.327 174.968 176.300 -0.008 0.000 1.211 399 D CA -0.132 53.868 54.000 0.000 0.000 0.888 399 D CB 2.951 43.817 40.800 0.110 0.000 1.483 399 D HN 0.295 nan 8.370 nan 0.000 0.533 400 V N 3.336 123.171 119.914 -0.132 0.000 2.326 400 V HA 0.278 4.399 4.120 0.001 0.000 0.281 400 V C -0.887 175.154 176.094 -0.089 0.000 1.015 400 V CA -0.654 61.607 62.300 -0.065 0.000 0.823 400 V CB 0.367 32.144 31.823 -0.076 0.000 1.009 400 V HN 0.397 nan 8.190 nan 0.000 0.436 401 Y N 3.048 123.377 120.300 0.049 0.000 2.342 401 Y HA 0.662 5.212 4.550 0.001 0.000 0.334 401 Y C 0.151 175.947 175.900 -0.174 0.000 1.067 401 Y CA -0.724 57.359 58.100 -0.028 0.000 1.128 401 Y CB 2.076 40.422 38.460 -0.189 0.000 1.200 401 Y HN 0.362 nan 8.280 nan 0.000 0.464 402 V N 4.951 124.931 119.914 0.111 0.000 2.443 402 V HA 0.335 4.455 4.120 0.001 0.000 0.293 402 V C -0.799 175.473 176.094 0.296 0.000 1.021 402 V CA -1.178 61.171 62.300 0.082 0.000 0.848 402 V CB 1.007 32.899 31.823 0.115 0.000 0.998 402 V HN 0.613 nan 8.190 nan 0.000 0.424 403 F N 2.875 122.897 119.950 0.119 0.000 2.361 403 F HA 0.520 5.048 4.527 0.001 0.000 0.364 403 F C 1.254 177.092 175.800 0.064 0.000 1.120 403 F CA -0.887 57.160 58.000 0.078 0.000 1.102 403 F CB 1.571 40.599 39.000 0.047 0.000 1.183 403 F HN 0.633 nan 8.300 nan 0.000 0.476 404 G N 3.441 112.385 108.800 0.240 0.000 2.334 404 G HA2 0.350 4.310 3.960 0.001 0.000 0.261 404 G HA3 0.350 4.310 3.960 0.001 0.000 0.261 404 G C -0.485 174.478 174.900 0.106 0.000 1.257 404 G CA -0.264 44.923 45.100 0.146 0.000 0.935 404 G HN 0.429 nan 8.290 nan 0.000 0.480 405 V N 3.011 122.981 119.914 0.092 0.000 2.472 405 V HA 0.845 4.965 4.120 0.001 0.000 0.290 405 V C 0.988 177.104 176.094 0.035 0.000 1.037 405 V CA 0.720 63.054 62.300 0.057 0.000 0.908 405 V CB 0.439 32.296 31.823 0.057 0.000 0.985 405 V HN 1.658 nan 8.190 nan 0.000 0.454 406 G N 6.323 115.132 108.800 0.015 0.000 2.796 406 G HA2 -0.096 3.864 3.960 0.001 0.000 0.571 406 G HA3 -0.096 3.864 3.960 0.001 0.000 0.571 406 G C -1.897 173.007 174.900 0.008 0.000 1.370 406 G CA -0.158 44.946 45.100 0.007 0.000 0.856 406 G HN 0.615 nan 8.290 nan 0.000 0.538 407 P HA 0.191 nan 4.420 nan 0.000 0.227 407 P C 0.895 178.200 177.300 0.009 0.000 1.161 407 P CA 0.795 63.897 63.100 0.003 0.000 0.788 407 P CB 0.204 31.903 31.700 -0.002 0.000 0.822 408 L N 0.129 121.359 121.223 0.012 0.000 2.603 408 L HA 0.308 4.648 4.340 0.001 0.000 0.242 408 L C -0.444 176.439 176.870 0.022 0.000 1.169 408 L CA -0.665 54.184 54.840 0.015 0.000 1.029 408 L CB 0.902 42.968 42.059 0.011 0.000 1.361 408 L HN -0.296 nan 8.230 nan 0.000 0.439 409 V N 0.929 120.860 119.914 0.028 0.000 2.539 409 V HA 0.149 4.269 4.120 0.001 0.000 0.292 409 V C 0.318 176.435 176.094 0.038 0.000 1.045 409 V CA -0.547 61.777 62.300 0.040 0.000 0.945 409 V CB 2.099 33.951 31.823 0.049 0.000 0.993 409 V HN 0.619 nan 8.190 nan 0.000 0.464 410 N N 3.507 122.234 118.700 0.045 0.000 2.719 410 N HA 0.103 4.844 4.740 0.001 0.000 0.243 410 N C 1.116 176.658 175.510 0.053 0.000 1.104 410 N CA -0.448 52.626 53.050 0.040 0.000 0.981 410 N CB 0.451 38.959 38.487 0.034 0.000 1.290 410 N HN 0.617 nan 8.380 nan 0.000 0.513 411 Q N 1.324 121.153 119.800 0.048 0.000 2.112 411 Q HA -0.161 4.179 4.340 0.001 0.000 0.206 411 Q C 1.705 177.737 176.000 0.054 0.000 0.987 411 Q CA 1.401 57.235 55.803 0.053 0.000 0.858 411 Q CB -0.049 28.715 28.738 0.044 0.000 0.905 411 Q HN 0.566 nan 8.270 nan 0.000 0.420 412 V N 1.601 121.543 119.914 0.046 0.000 2.295 412 V HA -0.282 3.838 4.120 0.001 0.000 0.246 412 V C 1.886 178.014 176.094 0.057 0.000 1.049 412 V CA 2.043 64.370 62.300 0.045 0.000 1.024 412 V CB -0.720 31.124 31.823 0.035 0.000 0.648 412 V HN 0.444 nan 8.190 nan 0.000 0.447 413 N N -0.159 118.584 118.700 0.071 0.000 2.188 413 N HA -0.094 4.646 4.740 0.001 0.000 0.184 413 N C 1.893 177.458 175.510 0.092 0.000 1.018 413 N CA 1.280 54.391 53.050 0.101 0.000 0.858 413 N CB -0.149 38.427 38.487 0.148 0.000 0.989 413 N HN 0.405 nan 8.380 nan 0.000 0.426 414 I N 1.428 122.053 120.570 0.091 0.000 2.252 414 I HA -0.244 3.927 4.170 0.001 0.000 0.245 414 I C 1.635 177.799 176.117 0.079 0.000 1.102 414 I CA 1.222 62.578 61.300 0.093 0.000 1.385 414 I CB -0.275 37.788 38.000 0.105 0.000 1.064 414 I HN 0.208 nan 8.210 nan 0.000 0.414 415 N N 0.693 119.434 118.700 0.069 0.000 2.142 415 N HA -0.140 4.600 4.740 0.001 0.000 0.186 415 N C 1.993 177.525 175.510 0.036 0.000 1.023 415 N CA 1.053 54.137 53.050 0.057 0.000 0.852 415 N CB -0.161 38.356 38.487 0.050 0.000 0.998 415 N HN 0.304 nan 8.380 nan 0.000 0.424 416 A N 1.233 124.074 122.820 0.034 0.000 1.940 416 A HA -0.113 4.208 4.320 0.001 0.000 0.219 416 A C 2.084 179.668 177.584 0.000 0.000 1.176 416 A CA 1.189 53.237 52.037 0.018 0.000 0.631 416 A CB -0.606 18.411 19.000 0.028 0.000 0.814 416 A HN 0.200 nan 8.150 nan 0.000 0.446 417 L N -0.976 120.250 121.223 0.006 0.000 2.270 417 L HA 0.123 4.463 4.340 0.001 0.000 0.210 417 L C 1.620 178.472 176.870 -0.029 0.000 1.104 417 L CA 0.112 54.942 54.840 -0.016 0.000 0.804 417 L CB -0.438 41.615 42.059 -0.010 0.000 0.937 417 L HN 0.393 nan 8.230 nan 0.000 0.450 418 A N -0.025 122.788 122.820 -0.012 0.000 2.445 418 A HA 0.273 4.593 4.320 0.001 0.000 0.242 418 A C 0.645 178.149 177.584 -0.133 0.000 1.075 418 A CA -0.189 51.827 52.037 -0.035 0.000 0.777 418 A CB 0.196 19.223 19.000 0.045 0.000 1.013 418 A HN 0.183 nan 8.150 nan 0.000 0.493 419 S N 0.466 115.988 115.700 -0.297 0.000 2.569 419 S HA 0.175 4.645 4.470 0.001 0.000 0.274 419 S C 0.094 174.438 174.600 -0.427 0.000 1.353 419 S CA 0.210 58.122 58.200 -0.480 0.000 1.023 419 S CB 0.236 62.876 63.200 -0.933 0.000 0.876 419 S HN 0.523 nan 8.310 nan 0.000 0.540 420 K N 2.239 122.462 120.400 -0.295 0.000 2.579 420 K HA 0.308 4.628 4.320 0.001 0.000 0.225 420 K C -1.033 175.491 176.600 -0.127 0.000 0.992 420 K CA -0.291 55.903 56.287 -0.155 0.000 1.018 420 K CB 1.046 33.497 32.500 -0.082 0.000 1.249 420 K HN 0.378 nan 8.250 nan 0.000 0.489 421 K N 1.719 122.061 120.400 -0.096 0.000 2.345 421 K HA 0.251 4.572 4.320 0.001 0.000 0.255 421 K C -0.985 175.646 176.600 0.051 0.000 0.934 421 K CA -1.102 55.176 56.287 -0.014 0.000 0.801 421 K CB 1.695 34.204 32.500 0.015 0.000 1.137 421 K HN 0.333 nan 8.250 nan 0.000 0.424 422 D N 1.880 122.302 120.400 0.036 0.000 2.472 422 D HA -0.049 4.591 4.640 0.001 0.000 0.237 422 D C 0.323 176.659 176.300 0.059 0.000 1.141 422 D CA 0.846 54.871 54.000 0.042 0.000 0.875 422 D CB 0.173 40.990 40.800 0.029 0.000 1.192 422 D HN 0.660 nan 8.370 nan 0.000 0.450 423 N N 0.032 118.767 118.700 0.058 0.000 2.778 423 N HA -0.223 4.518 4.740 0.001 0.000 0.249 423 N C -0.555 175.005 175.510 0.083 0.000 1.069 423 N CA 0.745 53.832 53.050 0.062 0.000 0.831 423 N CB -0.467 38.050 38.487 0.050 0.000 1.142 423 N HN 0.529 nan 8.380 nan 0.000 0.573 424 E N -0.082 120.184 120.200 0.110 0.000 2.369 424 E HA 0.467 4.817 4.350 0.001 0.000 0.270 424 E C -0.918 175.785 176.600 0.173 0.000 0.909 424 E CA -0.733 55.752 56.400 0.142 0.000 0.775 424 E CB 1.722 31.541 29.700 0.200 0.000 1.270 424 E HN 0.005 nan 8.360 nan 0.000 0.445 425 Q N 0.774 120.661 119.800 0.145 0.000 2.325 425 Q HA 0.291 4.631 4.340 0.001 0.000 0.270 425 Q C -1.220 174.870 176.000 0.150 0.000 1.020 425 Q CA -0.134 55.771 55.803 0.169 0.000 0.785 425 Q CB 0.969 29.789 28.738 0.136 0.000 1.259 425 Q HN 0.588 nan 8.270 nan 0.000 0.452 426 H N 1.410 120.563 119.070 0.139 0.000 2.755 426 H HA 0.432 4.988 4.556 0.001 0.000 0.273 426 H C -0.675 174.813 175.328 0.266 0.000 1.055 426 H CA 0.240 56.364 56.048 0.126 0.000 1.191 426 H CB 1.152 30.787 29.762 -0.211 0.000 1.536 426 H HN 0.254 nan 8.280 nan 0.000 0.529 427 V N 0.759 120.862 119.914 0.316 0.000 2.540 427 V HA 0.389 4.509 4.120 0.001 0.000 0.302 427 V C -0.463 175.780 176.094 0.248 0.000 1.035 427 V CA -0.667 61.801 62.300 0.281 0.000 0.873 427 V CB 1.777 33.710 31.823 0.183 0.000 0.992 427 V HN 0.275 nan 8.190 nan 0.000 0.428 428 c N 3.893 122.660 118.600 0.277 0.000 2.888 428 c HA 0.599 5.169 4.570 0.001 0.000 0.308 428 c C -0.214 173.924 174.090 0.080 0.000 1.213 428 c CA -1.311 55.086 56.329 0.113 0.000 1.461 428 c CB 2.111 44.582 42.510 -0.064 0.000 1.934 428 c HN 0.817 nan 8.230 nan 0.000 0.474 429 K N 1.072 121.482 120.400 0.016 0.000 2.249 429 K HA 0.356 4.676 4.320 0.001 0.000 0.280 429 K C 0.809 177.371 176.600 -0.064 0.000 1.033 429 K CA -0.300 55.992 56.287 0.008 0.000 0.946 429 K CB 0.788 33.289 32.500 0.001 0.000 1.005 429 K HN 0.446 nan 8.250 nan 0.000 0.469 430 V N 3.592 123.476 119.914 -0.049 0.000 2.568 430 V HA -0.285 3.835 4.120 0.001 0.000 0.253 430 V C 1.781 177.802 176.094 -0.121 0.000 1.072 430 V CA 2.199 64.433 62.300 -0.111 0.000 1.084 430 V CB -0.676 31.119 31.823 -0.045 0.000 0.676 430 V HN 0.793 nan 8.190 nan 0.000 0.469 431 K N 0.372 120.723 120.400 -0.081 0.000 2.418 431 K HA -0.044 4.277 4.320 0.001 0.000 0.195 431 K C 0.781 177.330 176.600 -0.085 0.000 1.035 431 K CA 0.764 57.004 56.287 -0.078 0.000 1.003 431 K CB -0.035 32.433 32.500 -0.053 0.000 0.793 431 K HN 0.344 nan 8.250 nan 0.000 0.494 432 D N 1.761 122.107 120.400 -0.091 0.000 2.470 432 D HA 0.082 4.723 4.640 0.001 0.000 0.226 432 D C 0.661 176.888 176.300 -0.121 0.000 1.196 432 D CA -0.058 53.890 54.000 -0.085 0.000 0.979 432 D CB 0.331 41.094 40.800 -0.061 0.000 1.059 432 D HN 0.217 nan 8.370 nan 0.000 0.515 433 M N 1.327 120.855 119.600 -0.120 0.000 2.358 433 M HA -0.146 4.335 4.480 0.001 0.000 0.264 433 M C 1.467 177.683 176.300 -0.140 0.000 1.064 433 M CA 1.129 56.343 55.300 -0.142 0.000 1.093 433 M CB 0.107 32.629 32.600 -0.130 0.000 1.401 433 M HN 0.199 nan 8.290 nan 0.000 0.440 434 E N -0.037 120.096 120.200 -0.111 0.000 2.028 434 E HA -0.182 4.169 4.350 0.001 0.000 0.191 434 E C 2.077 178.638 176.600 -0.065 0.000 0.988 434 E CA 1.331 57.672 56.400 -0.100 0.000 0.799 434 E CB -0.480 29.184 29.700 -0.061 0.000 0.755 434 E HN 0.511 nan 8.360 nan 0.000 0.447 435 c N 0.272 118.838 118.600 -0.056 0.000 2.413 435 c HA -0.114 4.456 4.570 0.001 0.000 0.276 435 c C 2.446 176.492 174.090 -0.073 0.000 1.236 435 c CA 0.742 57.052 56.329 -0.032 0.000 1.735 435 c CB -1.088 41.404 42.510 -0.032 0.000 2.031 435 c HN 0.391 nan 8.230 nan 0.000 0.474 436 L N 0.543 121.659 121.223 -0.179 0.000 2.083 436 L HA -0.160 4.180 4.340 0.001 0.000 0.209 436 L C 2.672 179.460 176.870 -0.137 0.000 1.083 436 L CA 2.236 56.911 54.840 -0.275 0.000 0.752 436 L CB -0.901 40.929 42.059 -0.382 0.000 0.899 436 L HN 0.540 nan 8.230 nan 0.000 0.433 437 E N 0.293 120.434 120.200 -0.098 0.000 2.110 437 E HA -0.245 4.105 4.350 0.001 0.000 0.193 437 E C 1.556 178.274 176.600 0.197 0.000 0.988 437 E CA 1.484 57.867 56.400 -0.028 0.000 0.804 437 E CB 0.123 29.727 29.700 -0.160 0.000 0.745 437 E HN 0.405 nan 8.360 nan 0.000 0.458 438 D N 0.046 120.554 120.400 0.181 0.000 2.144 438 D HA -0.118 4.522 4.640 0.001 0.000 0.200 438 D C 2.045 178.474 176.300 0.215 0.000 0.978 438 D CA 0.788 54.964 54.000 0.293 0.000 0.833 438 D CB -0.125 40.795 40.800 0.201 0.000 0.961 438 D HN 0.104 nan 8.370 nan 0.000 0.470 439 V N 1.067 121.033 119.914 0.088 0.000 2.255 439 V HA -0.275 3.845 4.120 0.001 0.000 0.247 439 V C 2.184 178.224 176.094 -0.090 0.000 1.051 439 V CA 1.535 63.818 62.300 -0.029 0.000 1.018 439 V CB -0.659 31.086 31.823 -0.130 0.000 0.641 439 V HN 0.114 nan 8.190 nan 0.000 0.445 440 F N 0.395 120.215 119.950 -0.218 0.000 2.087 440 F HA -0.292 4.236 4.527 0.001 0.000 0.299 440 F C 2.154 177.717 175.800 -0.395 0.000 1.100 440 F CA 1.976 59.751 58.000 -0.376 0.000 1.226 440 F CB -0.477 38.185 39.000 -0.563 0.000 0.983 440 F HN 0.232 nan 8.300 nan 0.000 0.479 441 Y N 0.110 120.427 120.300 0.028 0.000 2.571 441 Y HA -0.094 4.457 4.550 0.001 0.000 0.294 441 Y C 2.303 178.168 175.900 -0.058 0.000 1.141 441 Y CA 1.036 59.138 58.100 0.003 0.000 1.308 441 Y CB -0.702 37.885 38.460 0.211 0.000 1.002 441 Y HN 0.272 nan 8.280 nan 0.000 0.551 442 Q N -1.145 118.670 119.800 0.025 0.000 2.302 442 Q HA -0.010 4.330 4.340 0.001 0.000 0.202 442 Q C 1.969 177.947 176.000 -0.036 0.000 0.936 442 Q CA 0.678 56.503 55.803 0.037 0.000 0.886 442 Q CB 0.074 28.864 28.738 0.086 0.000 0.986 442 Q HN 0.533 nan 8.270 nan 0.000 0.487 443 M N -0.005 119.487 119.600 -0.180 0.000 2.160 443 M HA 0.003 4.484 4.480 0.001 0.000 0.264 443 M C 0.329 176.442 176.300 -0.312 0.000 1.073 443 M CA 0.782 55.949 55.300 -0.221 0.000 1.142 443 M CB 0.428 32.833 32.600 -0.326 0.000 1.358 443 M HN 0.015 nan 8.290 nan 0.000 0.422 444 I N 0.984 121.218 120.570 -0.561 0.000 2.353 444 I HA 0.126 4.297 4.170 0.001 0.000 0.293 444 I C -0.528 175.451 176.117 -0.229 0.000 0.992 444 I CA -0.792 60.214 61.300 -0.489 0.000 1.268 444 I CB 0.739 38.191 38.000 -0.913 0.000 1.387 444 I HN 0.046 nan 8.210 nan 0.000 0.478 445 D N 5.584 125.933 120.400 -0.085 0.000 2.352 445 D HA 0.056 4.697 4.640 0.001 0.000 0.245 445 D C 1.200 177.578 176.300 0.129 0.000 1.224 445 D CA -0.001 54.012 54.000 0.022 0.000 0.879 445 D CB 0.965 41.774 40.800 0.015 0.000 1.057 445 D HN 0.323 nan 8.370 nan 0.000 0.491 446 E N 2.736 123.056 120.200 0.201 0.000 2.130 446 E HA -0.254 4.096 4.350 0.001 0.000 0.196 446 E C 2.136 178.867 176.600 0.219 0.000 0.998 446 E CA 1.327 57.921 56.400 0.323 0.000 0.806 446 E CB -0.453 29.440 29.700 0.322 0.000 0.738 446 E HN 0.731 nan 8.360 nan 0.000 0.459 447 S N 1.656 117.438 115.700 0.137 0.000 2.374 447 S HA -0.204 4.267 4.470 0.001 0.000 0.227 447 S C 1.914 176.572 174.600 0.098 0.000 1.037 447 S CA 1.240 59.499 58.200 0.097 0.000 1.024 447 S CB -0.290 62.947 63.200 0.062 0.000 0.861 447 S HN 0.042 nan 8.310 nan 0.000 0.456 448 Q N 0.708 120.569 119.800 0.102 0.000 2.500 448 Q HA 0.053 4.393 4.340 0.001 0.000 0.213 448 Q C 0.960 177.025 176.000 0.108 0.000 0.974 448 Q CA 0.724 56.582 55.803 0.091 0.000 0.918 448 Q CB -0.220 28.566 28.738 0.080 0.000 0.980 448 Q HN 0.585 nan 8.270 nan 0.000 0.505 449 S N -0.427 115.355 115.700 0.136 0.000 2.730 449 S HA 0.264 4.735 4.470 0.001 0.000 0.244 449 S C 1.403 176.051 174.600 0.079 0.000 1.022 449 S CA -0.286 57.976 58.200 0.103 0.000 1.014 449 S CB 0.420 63.682 63.200 0.103 0.000 0.963 449 S HN 0.218 nan 8.310 nan 0.000 0.540 450 L N 1.686 122.973 121.223 0.107 0.000 2.141 450 L HA -0.053 4.287 4.340 0.001 0.000 0.209 450 L C 2.352 179.327 176.870 0.175 0.000 1.094 450 L CA 1.323 56.240 54.840 0.130 0.000 0.763 450 L CB -0.443 41.697 42.059 0.136 0.000 0.908 450 L HN 0.420 nan 8.230 nan 0.000 0.437 451 S N -0.932 114.862 115.700 0.156 0.000 2.603 451 S HA 0.091 4.562 4.470 0.001 0.000 0.220 451 S C 0.517 175.177 174.600 0.101 0.000 0.967 451 S CA -0.263 58.051 58.200 0.191 0.000 0.920 451 S CB -0.282 62.997 63.200 0.132 0.000 0.773 451 S HN 0.046 nan 8.310 nan 0.000 0.529 452 L N 3.197 124.446 121.223 0.044 0.000 2.305 452 L HA 0.363 4.704 4.340 0.001 0.000 0.281 452 L C 0.805 177.653 176.870 -0.035 0.000 1.085 452 L CA -0.860 53.982 54.840 0.003 0.000 0.813 452 L CB 0.532 42.586 42.059 -0.009 0.000 1.157 452 L HN 0.526 nan 8.230 nan 0.000 0.436 453 c N 1.019 119.597 118.600 -0.038 0.000 2.595 453 c HA 0.699 5.270 4.570 0.001 0.000 0.384 453 c C 1.412 175.504 174.090 0.002 0.000 1.289 453 c CA -0.326 55.973 56.329 -0.051 0.000 2.372 453 c CB 0.147 42.618 42.510 -0.065 0.000 2.593 453 c HN 1.235 nan 8.230 nan 0.000 0.639 454 G N 2.286 111.109 108.800 0.040 0.000 2.249 454 G HA2 -0.180 3.780 3.960 0.001 0.000 0.273 454 G HA3 -0.180 3.780 3.960 0.001 0.000 0.273 454 G C -0.083 174.986 174.900 0.283 0.000 1.036 454 G CA 0.537 45.727 45.100 0.149 0.000 0.824 454 G HN 0.830 nan 8.290 nan 0.000 0.504 455 M N -0.251 119.462 119.600 0.189 0.000 2.318 455 M HA 0.598 5.078 4.480 0.001 0.000 0.347 455 M C 0.097 176.517 176.300 0.200 0.000 1.175 455 M CA -0.547 54.844 55.300 0.152 0.000 1.075 455 M CB 1.688 34.291 32.600 0.005 0.000 1.614 455 M HN -0.052 nan 8.290 nan 0.000 0.456 456 V N 2.401 122.449 119.914 0.224 0.000 2.709 456 V HA 0.327 4.447 4.120 0.001 0.000 0.308 456 V C -1.430 174.844 176.094 0.301 0.000 1.062 456 V CA -0.821 61.590 62.300 0.185 0.000 0.901 456 V CB 2.431 34.297 31.823 0.072 0.000 1.003 456 V HN 0.944 nan 8.190 nan 0.000 0.425 457 W N 3.821 125.208 121.300 0.145 0.000 2.387 457 W HA 0.427 5.087 4.660 0.001 0.000 0.310 457 W C 0.853 177.468 176.519 0.160 0.000 1.181 457 W CA -0.258 57.222 57.345 0.225 0.000 1.333 457 W CB 0.918 30.478 29.460 0.167 0.000 1.286 457 W HN 0.728 nan 8.180 nan 0.000 0.455 458 E N 2.853 123.013 120.200 -0.067 0.000 2.479 458 E HA -0.074 4.277 4.350 0.001 0.000 0.193 458 E C 0.154 176.548 176.600 -0.344 0.000 1.049 458 E CA -0.179 56.139 56.400 -0.136 0.000 0.870 458 E CB -0.022 29.656 29.700 -0.037 0.000 0.944 458 E HN 0.445 nan 8.360 nan 0.000 0.492 459 H N 1.320 119.816 119.070 -0.956 0.000 3.058 459 H HA -0.092 4.464 4.556 0.001 0.000 0.347 459 H C 1.749 176.765 175.328 -0.520 0.000 1.087 459 H CA 0.783 56.248 56.048 -0.971 0.000 1.375 459 H CB 0.744 29.299 29.762 -2.012 0.000 1.312 459 H HN 0.053 nan 8.280 nan 0.000 0.607 460 R N 2.661 122.809 120.500 -0.587 0.000 2.193 460 R HA -0.120 4.220 4.340 0.001 0.000 0.229 460 R C 1.144 177.432 176.300 -0.019 0.000 1.110 460 R CA 1.755 57.702 56.100 -0.255 0.000 0.988 460 R CB -0.066 30.063 30.300 -0.284 0.000 0.871 460 R HN 0.475 nan 8.270 nan 0.000 0.458 461 K N 1.036 121.575 120.400 0.232 0.000 2.487 461 K HA 0.101 4.422 4.320 0.001 0.000 0.192 461 K C 0.676 177.397 176.600 0.201 0.000 1.027 461 K CA 0.348 56.766 56.287 0.219 0.000 1.054 461 K CB 0.453 33.106 32.500 0.255 0.000 0.824 461 K HN 0.336 nan 8.250 nan 0.000 0.510 462 G N 1.280 110.194 108.800 0.189 0.000 2.491 462 G HA2 0.058 4.019 3.960 0.001 0.000 0.238 462 G HA3 0.058 4.019 3.960 0.001 0.000 0.238 462 G C 0.229 175.270 174.900 0.234 0.000 1.277 462 G CA -0.303 44.933 45.100 0.226 0.000 0.851 462 G HN 0.207 nan 8.290 nan 0.000 0.573 463 T N -0.936 113.884 114.554 0.443 0.000 2.880 463 T HA 0.293 4.643 4.350 0.001 0.000 0.279 463 T C 0.838 175.527 174.700 -0.019 0.000 0.990 463 T CA -0.281 61.929 62.100 0.184 0.000 0.938 463 T CB 1.306 70.310 68.868 0.228 0.000 1.206 463 T HN 0.244 nan 8.240 nan 0.000 0.573 464 D N -0.376 119.841 120.400 -0.305 0.000 2.182 464 D HA -0.046 4.595 4.640 0.001 0.000 0.201 464 D C 1.682 177.695 176.300 -0.478 0.000 0.986 464 D CA 1.502 55.236 54.000 -0.443 0.000 0.847 464 D CB -0.453 39.974 40.800 -0.621 0.000 0.942 464 D HN 0.693 nan 8.370 nan 0.000 0.467 465 Y N -0.167 120.035 120.300 -0.163 0.000 2.352 465 Y HA -0.095 4.455 4.550 0.001 0.000 0.292 465 Y C 2.534 178.241 175.900 -0.322 0.000 1.136 465 Y CA 0.734 58.672 58.100 -0.271 0.000 1.227 465 Y CB -0.203 38.080 38.460 -0.296 0.000 0.991 465 Y HN 0.196 nan 8.280 nan 0.000 0.545 466 H N 0.436 119.506 119.070 0.001 0.000 2.372 466 H HA -0.017 4.539 4.556 0.001 0.000 0.301 466 H C 1.731 177.016 175.328 -0.072 0.000 1.065 466 H CA 1.199 57.270 56.048 0.039 0.000 1.364 466 H CB 0.054 29.951 29.762 0.226 0.000 1.406 466 H HN 0.356 nan 8.280 nan 0.000 0.521 467 K N 0.605 120.984 120.400 -0.035 0.000 2.288 467 K HA -0.079 4.242 4.320 0.001 0.000 0.201 467 K C 0.271 176.570 176.600 -0.502 0.000 1.048 467 K CA 0.783 56.956 56.287 -0.190 0.000 0.956 467 K CB 0.263 32.673 32.500 -0.150 0.000 0.746 467 K HN 0.119 nan 8.250 nan 0.000 0.461 468 Q N -0.854 118.559 119.800 -0.645 0.000 3.230 468 Q HA 0.140 4.481 4.340 0.001 0.000 0.303 468 Q C -2.306 173.017 176.000 -1.127 0.000 0.884 468 Q CA -1.356 53.702 55.803 -1.241 0.000 0.859 468 Q CB 1.421 29.684 28.738 -0.793 0.000 1.432 468 Q HN -0.056 nan 8.270 nan 0.000 0.403 469 P HA -0.165 nan 4.420 nan 0.000 0.219 469 P C 0.437 177.538 177.300 -0.332 0.000 1.146 469 P CA 1.019 63.853 63.100 -0.443 0.000 0.808 469 P CB 0.001 31.567 31.700 -0.224 0.000 0.779 470 W N -1.259 119.996 121.300 -0.074 0.000 3.003 470 W HA 0.293 4.954 4.660 0.001 0.000 0.257 470 W C 0.405 176.916 176.519 -0.013 0.000 1.308 470 W CA -0.328 56.985 57.345 -0.053 0.000 1.529 470 W CB -1.604 27.819 29.460 -0.061 0.000 1.115 470 W HN -0.196 nan 8.180 nan 0.000 0.659 471 Q N 2.268 121.846 119.800 -0.370 0.000 2.300 471 Q HA 0.409 4.749 4.340 0.001 0.000 0.280 471 Q C -0.508 175.507 176.000 0.026 0.000 1.033 471 Q CA 0.674 56.434 55.803 -0.070 0.000 0.903 471 Q CB 0.864 29.470 28.738 -0.220 0.000 1.195 471 Q HN 0.276 nan 8.270 nan 0.000 0.386 472 A N 4.285 127.165 122.820 0.100 0.000 2.356 472 A HA 0.577 4.898 4.320 0.001 0.000 0.310 472 A C -1.125 176.511 177.584 0.086 0.000 1.075 472 A CA -0.772 51.315 52.037 0.084 0.000 0.746 472 A CB 1.154 20.217 19.000 0.106 0.000 1.221 472 A HN 0.640 nan 8.150 nan 0.000 0.443 473 K N 2.621 123.062 120.400 0.068 0.000 2.213 473 K HA 0.666 4.986 4.320 0.001 0.000 0.270 473 K C -1.356 175.283 176.600 0.066 0.000 1.002 473 K CA -0.349 55.978 56.287 0.066 0.000 0.868 473 K CB 0.679 33.214 32.500 0.058 0.000 1.093 473 K HN 0.666 nan 8.250 nan 0.000 0.454 474 I N 2.458 123.070 120.570 0.070 0.000 2.378 474 I HA 0.215 4.385 4.170 0.001 0.000 0.291 474 I C -0.471 175.682 176.117 0.060 0.000 0.992 474 I CA -0.556 60.797 61.300 0.088 0.000 1.154 474 I CB 2.118 40.201 38.000 0.140 0.000 1.315 474 I HN 0.457 nan 8.210 nan 0.000 0.448 475 S N 4.867 120.605 115.700 0.063 0.000 2.473 475 S HA 0.635 5.105 4.470 0.001 0.000 0.307 475 S C -0.506 174.114 174.600 0.034 0.000 1.094 475 S CA -0.637 57.583 58.200 0.034 0.000 1.070 475 S CB 2.060 65.270 63.200 0.017 0.000 1.019 475 S HN 0.300 nan 8.310 nan 0.000 0.480 476 V N 4.209 124.126 119.914 0.006 0.000 2.376 476 V HA 0.430 4.550 4.120 0.001 0.000 0.287 476 V C -0.264 175.764 176.094 -0.109 0.000 1.015 476 V CA -0.628 61.675 62.300 0.006 0.000 0.834 476 V CB 1.275 33.134 31.823 0.060 0.000 1.001 476 V HN 0.893 nan 8.190 nan 0.000 0.428 477 I N 6.162 126.605 120.570 -0.212 0.000 2.325 477 I HA 0.559 4.730 4.170 0.001 0.000 0.291 477 I C 0.169 176.187 176.117 -0.167 0.000 1.019 477 I CA 0.085 61.090 61.300 -0.491 0.000 1.302 477 I CB 0.259 37.981 38.000 -0.463 0.000 1.401 477 I HN 0.666 nan 8.210 nan 0.000 0.485 482 G N 1.271 110.108 108.800 0.062 0.000 2.343 482 G HA2 0.465 4.425 3.960 0.001 0.000 0.254 482 G HA3 0.465 4.425 3.960 0.001 0.000 0.254 482 G C -0.075 174.919 174.900 0.156 0.000 1.277 482 G CA 0.108 45.235 45.100 0.046 0.000 0.909 482 G HN 0.643 nan 8.290 nan 0.000 0.502 483 H N 0.844 119.934 119.070 0.033 0.000 2.790 483 H HA 0.183 4.739 4.556 0.001 0.000 0.358 483 H C 0.100 175.445 175.328 0.028 0.000 1.103 483 H CA -0.073 55.995 56.048 0.032 0.000 1.426 483 H CB 1.313 31.094 29.762 0.031 0.000 1.424 483 H HN 0.585 nan 8.280 nan 0.000 0.599 484 E N 0.986 121.266 120.200 0.134 0.000 2.212 484 E HA 0.336 4.686 4.350 0.001 0.000 0.270 484 E C -1.255 175.362 176.600 0.029 0.000 0.956 484 E CA -0.762 55.671 56.400 0.055 0.000 0.825 484 E CB 1.645 31.343 29.700 -0.003 0.000 1.167 484 E HN 0.410 nan 8.360 nan 0.000 0.400 485 S N 2.479 118.185 115.700 0.011 0.000 2.672 485 S HA 0.612 5.082 4.470 0.001 0.000 0.291 485 S C -1.522 173.067 174.600 -0.019 0.000 1.145 485 S CA -0.572 57.634 58.200 0.010 0.000 1.013 485 S CB 0.414 63.637 63.200 0.039 0.000 1.017 485 S HN 0.624 nan 8.310 nan 0.000 0.487 486 c N 4.890 123.468 118.600 -0.035 0.000 3.080 486 c HA 0.708 5.278 4.570 0.001 0.000 0.307 486 c C -0.592 173.507 174.090 0.015 0.000 1.311 486 c CA -0.828 55.473 56.329 -0.047 0.000 1.533 486 c CB 1.870 44.276 42.510 -0.173 0.000 1.970 486 c HN 0.824 nan 8.230 nan 0.000 0.467 487 M N 1.433 121.057 119.600 0.041 0.000 2.573 487 M HA 0.725 5.205 4.480 0.001 0.000 0.309 487 M C 0.365 176.727 176.300 0.104 0.000 1.202 487 M CA 0.027 55.379 55.300 0.086 0.000 0.975 487 M CB 1.179 33.847 32.600 0.113 0.000 1.600 487 M HN 0.995 nan 8.290 nan 0.000 0.479 488 G N -0.040 108.843 108.800 0.139 0.000 2.649 488 G HA2 0.804 4.764 3.960 0.001 0.000 0.290 488 G HA3 0.804 4.764 3.960 0.001 0.000 0.290 488 G C -2.240 172.782 174.900 0.203 0.000 1.426 488 G CA -0.509 44.687 45.100 0.160 0.000 0.794 488 G HN 0.844 nan 8.290 nan 0.000 0.483 489 A N -0.429 122.513 122.820 0.203 0.000 2.371 489 A HA 0.719 5.039 4.320 0.001 0.000 0.311 489 A C -0.507 177.200 177.584 0.205 0.000 1.068 489 A CA -0.520 51.667 52.037 0.251 0.000 0.744 489 A CB 1.824 20.925 19.000 0.168 0.000 1.239 489 A HN 1.261 nan 8.150 nan 0.000 0.435 490 V N 3.296 123.345 119.914 0.226 0.000 2.479 490 V HA 0.191 4.312 4.120 0.001 0.000 0.281 490 V C 1.291 177.476 176.094 0.152 0.000 1.031 490 V CA 0.769 63.178 62.300 0.181 0.000 1.038 490 V CB 0.960 32.877 31.823 0.156 0.000 0.981 490 V HN 1.088 nan 8.190 nan 0.000 0.478 491 V N 1.730 121.741 119.914 0.160 0.000 3.645 491 V HA 0.436 4.556 4.120 0.001 0.000 0.275 491 V C 0.521 176.708 176.094 0.155 0.000 1.356 491 V CA 0.715 63.085 62.300 0.117 0.000 1.051 491 V CB 0.077 31.957 31.823 0.096 0.000 0.828 491 V HN 0.861 nan 8.190 nan 0.000 0.441 492 S N -1.205 114.646 115.700 0.252 0.000 2.636 492 S HA 0.411 4.882 4.470 0.001 0.000 0.268 492 S C 0.185 174.995 174.600 0.349 0.000 1.159 492 S CA -0.084 58.313 58.200 0.328 0.000 0.815 492 S CB 1.418 64.820 63.200 0.337 0.000 1.130 492 S HN 0.153 nan 8.310 nan 0.000 0.471 493 E N -0.297 120.051 120.200 0.246 0.000 2.204 493 E HA -0.090 4.260 4.350 0.001 0.000 0.195 493 E C 0.578 177.117 176.600 -0.102 0.000 0.990 493 E CA 1.546 57.934 56.400 -0.021 0.000 0.821 493 E CB -0.247 29.266 29.700 -0.313 0.000 0.750 493 E HN 0.661 nan 8.360 nan 0.000 0.477 494 Y N -1.671 118.647 120.300 0.030 0.000 2.462 494 Y HA 0.163 4.714 4.550 0.001 0.000 0.253 494 Y C 0.196 175.860 175.900 -0.393 0.000 1.095 494 Y CA -0.566 57.407 58.100 -0.212 0.000 1.283 494 Y CB 0.801 39.045 38.460 -0.360 0.000 1.138 494 Y HN -0.138 nan 8.280 nan 0.000 0.522 495 F N -0.375 119.681 119.950 0.178 0.000 2.522 495 F HA 0.563 5.090 4.527 0.001 0.000 0.324 495 F C -0.535 175.319 175.800 0.090 0.000 1.077 495 F CA -1.415 56.646 58.000 0.101 0.000 0.944 495 F CB 1.523 40.554 39.000 0.052 0.000 1.175 495 F HN -0.549 nan 8.300 nan 0.000 0.468 496 V N 4.067 124.145 119.914 0.273 0.000 2.444 496 V HA 0.371 4.492 4.120 0.001 0.000 0.294 496 V C -0.842 175.374 176.094 0.204 0.000 1.022 496 V CA -0.729 61.691 62.300 0.200 0.000 0.850 496 V CB 1.759 33.669 31.823 0.145 0.000 0.992 496 V HN 0.548 nan 8.190 nan 0.000 0.426 497 L N 5.088 126.423 121.223 0.186 0.000 2.292 497 L HA 0.838 5.178 4.340 0.001 0.000 0.284 497 L C 0.110 177.092 176.870 0.186 0.000 1.065 497 L CA 1.257 56.209 54.840 0.187 0.000 0.806 497 L CB 1.619 43.775 42.059 0.162 0.000 1.175 497 L HN 0.848 nan 8.230 nan 0.000 0.431 498 T N 2.953 117.628 114.554 0.202 0.000 2.626 498 T HA 0.800 5.150 4.350 0.001 0.000 0.299 498 T C -1.353 173.434 174.700 0.144 0.000 1.181 498 T CA -0.062 62.139 62.100 0.169 0.000 1.053 498 T CB 0.957 69.941 68.868 0.194 0.000 1.566 498 T HN 0.871 nan 8.240 nan 0.000 0.486 499 A N 0.417 123.269 122.820 0.052 0.000 2.310 499 A HA 0.748 5.069 4.320 0.001 0.000 0.299 499 A C 1.401 178.946 177.584 -0.065 0.000 1.147 499 A CA 0.252 52.287 52.037 -0.003 0.000 0.818 499 A CB 0.466 19.427 19.000 -0.064 0.000 1.096 499 A HN 1.154 nan 8.150 nan 0.000 0.495 500 A N 1.235 123.998 122.820 -0.096 0.000 1.902 500 A HA -0.154 4.166 4.320 0.001 0.000 0.217 500 A C 1.779 179.316 177.584 -0.078 0.000 1.181 500 A CA 1.746 53.687 52.037 -0.160 0.000 0.623 500 A CB -1.040 17.528 19.000 -0.720 0.000 0.818 500 A HN 1.117 nan 8.150 nan 0.000 0.443 501 H N -1.464 117.545 119.070 -0.103 0.000 2.560 501 H HA -0.067 4.489 4.556 0.001 0.000 0.283 501 H C 1.552 176.906 175.328 0.044 0.000 1.028 501 H CA 1.252 57.389 56.048 0.149 0.000 1.221 501 H CB -0.758 29.218 29.762 0.358 0.000 1.363 501 H HN 0.422 nan 8.280 nan 0.000 0.594 502 c N 0.530 118.780 118.600 -0.582 0.000 2.456 502 c HA 0.127 4.698 4.570 0.001 0.000 0.279 502 c C 0.552 174.147 174.090 -0.825 0.000 1.427 502 c CA 0.094 55.918 56.329 -0.842 0.000 1.778 502 c CB -1.226 40.544 42.510 -1.233 0.000 1.842 502 c HN 0.372 nan 8.230 nan 0.000 0.531 503 F N -0.999 119.022 119.950 0.119 0.000 2.611 503 F HA 0.558 5.085 4.527 0.001 0.000 0.324 503 F C 0.179 176.189 175.800 0.350 0.000 1.061 503 F CA -0.701 57.426 58.000 0.211 0.000 0.954 503 F CB 0.852 39.954 39.000 0.170 0.000 1.301 503 F HN -0.307 nan 8.300 nan 0.000 0.482 504 T N -0.941 113.899 114.554 0.477 0.000 2.916 504 T HA 0.442 4.792 4.350 0.001 0.000 0.292 504 T C 0.580 175.432 174.700 0.254 0.000 1.064 504 T CA -0.668 61.611 62.100 0.299 0.000 1.011 504 T CB 1.547 70.526 68.868 0.185 0.000 1.152 504 T HN 0.425 nan 8.240 nan 0.000 0.510 505 V N 1.424 121.393 119.914 0.092 0.000 2.867 505 V HA 0.027 4.147 4.120 0.001 0.000 0.260 505 V C 1.665 177.812 176.094 0.087 0.000 1.099 505 V CA 1.380 63.715 62.300 0.059 0.000 1.122 505 V CB -0.649 31.159 31.823 -0.025 0.000 0.708 505 V HN 0.755 nan 8.190 nan 0.000 0.490 506 D N -0.300 120.155 120.400 0.092 0.000 2.340 506 D HA 0.054 4.694 4.640 0.001 0.000 0.220 506 D C 0.289 176.636 176.300 0.079 0.000 1.039 506 D CA 0.326 54.371 54.000 0.075 0.000 0.866 506 D CB -0.009 40.830 40.800 0.065 0.000 0.913 506 D HN 0.457 nan 8.370 nan 0.000 0.523 507 D N 1.503 121.971 120.400 0.114 0.000 2.295 507 D HA 0.091 4.731 4.640 0.001 0.000 0.248 507 D C 0.580 176.893 176.300 0.022 0.000 1.154 507 D CA 0.005 54.056 54.000 0.086 0.000 0.857 507 D CB 1.253 42.160 40.800 0.179 0.000 1.117 507 D HN -0.249 nan 8.370 nan 0.000 0.468 508 K N 2.110 122.457 120.400 -0.089 0.000 2.144 508 K HA 0.094 4.414 4.320 0.001 0.000 0.270 508 K C 1.067 177.529 176.600 -0.231 0.000 1.005 508 K CA -0.424 55.763 56.287 -0.167 0.000 0.932 508 K CB 1.309 33.637 32.500 -0.286 0.000 1.021 508 K HN 0.231 nan 8.250 nan 0.000 0.462 509 E N 1.195 121.335 120.200 -0.100 0.000 2.086 509 E HA -0.249 4.101 4.350 0.001 0.000 0.205 509 E C 1.616 178.177 176.600 -0.065 0.000 1.027 509 E CA 1.913 58.278 56.400 -0.058 0.000 0.830 509 E CB -0.315 29.395 29.700 0.016 0.000 0.751 509 E HN 0.631 nan 8.360 nan 0.000 0.456 510 H N -0.663 118.407 119.070 -0.001 0.000 2.543 510 H HA 0.063 4.619 4.556 0.001 0.000 0.286 510 H C 1.364 176.693 175.328 0.001 0.000 1.037 510 H CA 1.444 57.491 56.048 -0.002 0.000 1.250 510 H CB -0.307 29.455 29.762 -0.000 0.000 1.373 510 H HN 0.222 nan 8.280 nan 0.000 0.580 511 S N 0.339 115.857 115.700 -0.303 0.000 2.575 511 S HA 0.221 4.691 4.470 0.001 0.000 0.215 511 S C 0.732 175.293 174.600 -0.065 0.000 0.966 511 S CA -0.537 57.563 58.200 -0.166 0.000 0.911 511 S CB -0.261 62.811 63.200 -0.213 0.000 0.780 511 S HN 0.270 nan 8.310 nan 0.000 0.514 512 I N 2.422 122.971 120.570 -0.035 0.000 2.355 512 I HA 0.469 4.639 4.170 0.001 0.000 0.288 512 I C -0.527 175.604 176.117 0.023 0.000 0.999 512 I CA -0.649 60.669 61.300 0.030 0.000 1.163 512 I CB 1.298 39.314 38.000 0.026 0.000 1.316 512 I HN -0.082 nan 8.210 nan 0.000 0.454 513 K N 5.732 126.154 120.400 0.036 0.000 2.259 513 K HA 0.701 5.022 4.320 0.001 0.000 0.252 513 K C -0.892 175.733 176.600 0.041 0.000 0.936 513 K CA -0.805 55.498 56.287 0.027 0.000 0.810 513 K CB 3.016 35.526 32.500 0.015 0.000 1.143 513 K HN 0.234 nan 8.250 nan 0.000 0.427 514 V N 0.616 120.547 119.914 0.029 0.000 2.628 514 V HA 0.494 4.614 4.120 0.001 0.000 0.306 514 V C -0.210 175.894 176.094 0.017 0.000 1.045 514 V CA -0.773 61.549 62.300 0.037 0.000 0.905 514 V CB 1.951 33.796 31.823 0.037 0.000 0.997 514 V HN 0.782 nan 8.190 nan 0.000 0.436 515 S N 3.023 118.735 115.700 0.020 0.000 2.532 515 S HA 0.885 5.356 4.470 0.001 0.000 0.299 515 S C -0.910 173.685 174.600 -0.007 0.000 1.105 515 S CA -0.399 57.799 58.200 -0.004 0.000 1.018 515 S CB 1.515 64.713 63.200 -0.003 0.000 1.021 515 S HN 1.238 nan 8.310 nan 0.000 0.483 516 V N 1.230 121.119 119.914 -0.042 0.000 3.159 516 V HA 0.924 5.044 4.120 0.001 0.000 0.308 516 V C 0.869 176.887 176.094 -0.127 0.000 1.190 516 V CA -0.177 62.092 62.300 -0.051 0.000 1.037 516 V CB 0.725 32.535 31.823 -0.022 0.000 1.060 516 V HN 1.695 nan 8.190 nan 0.000 0.437 517 G N 0.277 108.995 108.800 -0.135 0.000 2.212 517 G HA2 0.084 4.044 3.960 0.001 0.000 0.267 517 G HA3 0.084 4.044 3.960 0.001 0.000 0.267 517 G C 1.676 176.275 174.900 -0.501 0.000 1.002 517 G CA 1.276 46.241 45.100 -0.225 0.000 0.729 517 G HN 2.997 nan 8.290 nan 0.000 0.517 518 G N -1.346 106.936 108.800 -0.863 0.000 2.143 518 G HA2 -0.239 3.721 3.960 0.001 0.000 0.248 518 G HA3 -0.239 3.721 3.960 0.001 0.000 0.248 518 G C 0.121 174.633 174.900 -0.646 0.000 0.991 518 G CA 0.893 45.082 45.100 -1.517 0.000 0.689 518 G HN 1.038 nan 8.290 nan 0.000 0.522 519 E N -0.344 119.625 120.200 -0.384 0.000 2.354 519 E HA 0.356 4.707 4.350 0.001 0.000 0.269 519 E C 1.198 177.693 176.600 -0.176 0.000 1.036 519 E CA -0.093 56.170 56.400 -0.228 0.000 0.876 519 E CB 1.124 30.729 29.700 -0.158 0.000 1.009 519 E HN 0.284 nan 8.360 nan 0.000 0.416 520 K N 3.016 123.340 120.400 -0.127 0.000 2.155 520 K HA -0.090 4.231 4.320 0.001 0.000 0.203 520 K C 0.766 177.330 176.600 -0.061 0.000 1.052 520 K CA 0.551 56.788 56.287 -0.085 0.000 0.948 520 K CB 0.188 32.650 32.500 -0.063 0.000 0.728 520 K HN 0.431 nan 8.250 nan 0.000 0.448 521 R N 0.709 121.172 120.500 -0.062 0.000 2.707 521 R HA 0.123 4.463 4.340 0.001 0.000 0.270 521 R C -0.742 175.534 176.300 -0.040 0.000 1.083 521 R CA -0.440 55.633 56.100 -0.044 0.000 1.182 521 R CB 0.451 30.725 30.300 -0.043 0.000 1.084 521 R HN -0.104 nan 8.270 nan 0.000 0.528 522 D N 0.897 121.283 120.400 -0.025 0.000 2.272 522 D HA 0.362 5.002 4.640 0.001 0.000 0.247 522 D C -0.288 176.003 176.300 -0.015 0.000 0.990 522 D CA -0.493 53.497 54.000 -0.016 0.000 0.931 522 D CB 1.618 42.415 40.800 -0.004 0.000 1.195 522 D HN 0.348 nan 8.370 nan 0.000 0.477 523 L N 0.863 122.079 121.223 -0.011 0.000 2.331 523 L HA 0.509 4.849 4.340 0.001 0.000 0.275 523 L C 0.909 177.776 176.870 -0.005 0.000 1.022 523 L CA -0.798 54.035 54.840 -0.012 0.000 0.812 523 L CB 1.201 43.252 42.059 -0.013 0.000 1.257 523 L HN 0.420 nan 8.230 nan 0.000 0.435 524 E N 3.158 123.354 120.200 -0.007 0.000 2.277 524 E HA 0.592 4.942 4.350 0.001 0.000 0.274 524 E C -0.577 176.013 176.600 -0.017 0.000 1.022 524 E CA -0.670 55.727 56.400 -0.004 0.000 0.853 524 E CB 1.793 31.494 29.700 0.002 0.000 1.086 524 E HN 0.608 nan 8.360 nan 0.000 0.397 525 I N -1.904 118.649 120.570 -0.028 0.000 2.607 525 I HA 0.557 4.727 4.170 0.001 0.000 0.305 525 I C 0.923 177.002 176.117 -0.063 0.000 0.995 525 I CA -0.539 60.726 61.300 -0.059 0.000 1.148 525 I CB 2.258 40.205 38.000 -0.089 0.000 1.323 525 I HN 0.771 nan 8.210 nan 0.000 0.461 526 E N 3.439 123.583 120.200 -0.093 0.000 2.075 526 E HA 0.129 4.479 4.350 0.001 0.000 0.190 526 E C -0.089 176.461 176.600 -0.083 0.000 0.969 526 E CA 0.607 56.953 56.400 -0.090 0.000 0.815 526 E CB 0.893 30.511 29.700 -0.137 0.000 0.776 526 E HN 0.573 nan 8.360 nan 0.000 0.457 527 V N -0.117 119.732 119.914 -0.108 0.000 3.279 527 V HA 0.271 4.391 4.120 0.001 0.000 0.281 527 V C -1.811 174.195 176.094 -0.148 0.000 1.601 527 V CA -0.887 61.355 62.300 -0.096 0.000 1.044 527 V CB 2.127 33.921 31.823 -0.048 0.000 1.205 527 V HN -0.074 nan 8.190 nan 0.000 0.464 528 V N 4.953 124.749 119.914 -0.196 0.000 2.398 528 V HA 0.536 4.657 4.120 0.001 0.000 0.286 528 V C -0.274 175.692 176.094 -0.213 0.000 1.026 528 V CA -0.467 61.613 62.300 -0.367 0.000 0.868 528 V CB 1.488 32.842 31.823 -0.781 0.000 0.982 528 V HN 0.644 nan 8.190 nan 0.000 0.443 529 L N 5.862 127.025 121.223 -0.101 0.000 2.283 529 L HA 0.514 4.854 4.340 0.001 0.000 0.281 529 L C -0.607 176.388 176.870 0.208 0.000 1.033 529 L CA -0.159 54.755 54.840 0.124 0.000 0.848 529 L CB 0.520 42.695 42.059 0.193 0.000 1.226 529 L HN 0.448 nan 8.230 nan 0.000 0.429 530 F N 0.555 120.631 119.950 0.209 0.000 2.410 530 F HA 0.183 4.710 4.527 0.001 0.000 0.334 530 F C 1.002 176.852 175.800 0.083 0.000 1.134 530 F CA -0.330 57.765 58.000 0.158 0.000 1.227 530 F CB 0.309 39.399 39.000 0.150 0.000 1.194 530 F HN 0.405 nan 8.300 nan 0.000 0.571 531 H N 4.836 123.814 119.070 -0.152 0.000 2.886 531 H HA 0.065 4.622 4.556 0.001 0.000 0.329 531 H C -1.446 173.751 175.328 -0.218 0.000 1.044 531 H CA -1.209 54.383 56.048 -0.759 0.000 1.456 531 H CB 0.974 30.174 29.762 -0.936 0.000 1.464 531 H HN 0.245 nan 8.280 nan 0.000 0.573 532 P HA -0.179 nan 4.420 nan 0.000 0.218 532 P C 0.213 177.505 177.300 -0.013 0.000 1.146 532 P CA 1.347 64.408 63.100 -0.066 0.000 0.813 532 P CB 0.392 32.023 31.700 -0.116 0.000 0.778 533 N N -1.939 116.785 118.700 0.040 0.000 2.412 533 N HA -0.032 4.708 4.740 0.001 0.000 0.184 533 N C 0.393 175.880 175.510 -0.037 0.000 1.101 533 N CA -0.090 52.856 53.050 -0.172 0.000 0.881 533 N CB -0.793 37.196 38.487 -0.831 0.000 0.969 533 N HN 0.228 nan 8.380 nan 0.000 0.459 534 Y N 1.791 122.080 120.300 -0.019 0.000 2.526 534 Y HA 0.277 4.828 4.550 0.001 0.000 0.330 534 Y C -0.265 175.634 175.900 -0.001 0.000 1.156 534 Y CA -0.328 57.784 58.100 0.019 0.000 1.419 534 Y CB 0.222 38.736 38.460 0.089 0.000 1.250 534 Y HN -0.049 nan 8.280 nan 0.000 0.540 535 N N 6.722 124.961 118.700 -0.768 0.000 3.049 535 N HA 0.038 4.778 4.740 0.001 0.000 0.241 535 N C -0.222 174.967 175.510 -0.536 0.000 1.323 535 N CA -0.359 52.331 53.050 -0.600 0.000 0.824 535 N CB 0.170 38.532 38.487 -0.209 0.000 1.557 535 N HN 0.917 nan 8.380 nan 0.000 0.612 536 I N 1.798 121.941 120.570 -0.711 0.000 2.700 536 I HA -0.058 4.112 4.170 0.001 0.000 0.261 536 I C 0.391 176.386 176.117 -0.204 0.000 1.219 536 I CA 0.939 61.990 61.300 -0.414 0.000 1.463 536 I CB 0.267 38.081 38.000 -0.311 0.000 1.092 536 I HN 0.386 nan 8.210 nan 0.000 0.452 537 N N 0.282 118.879 118.700 -0.172 0.000 2.203 537 N HA 0.116 4.856 4.740 0.001 0.000 0.207 537 N C 1.524 176.969 175.510 -0.109 0.000 1.130 537 N CA 0.596 53.574 53.050 -0.120 0.000 0.861 537 N CB 0.647 39.071 38.487 -0.105 0.000 1.005 537 N HN 0.332 nan 8.380 nan 0.000 0.507 538 G N 0.645 109.398 108.800 -0.079 0.000 2.559 538 G HA2 -0.154 3.806 3.960 0.001 0.000 0.216 538 G HA3 -0.154 3.806 3.960 0.001 0.000 0.216 538 G C 1.228 176.005 174.900 -0.204 0.000 1.126 538 G CA 0.679 45.732 45.100 -0.078 0.000 0.778 538 G HN 0.061 nan 8.290 nan 0.000 0.543 539 K N -0.131 120.079 120.400 -0.317 0.000 2.706 539 K HA 0.192 4.512 4.320 0.001 0.000 0.203 539 K C 1.228 177.642 176.600 -0.309 0.000 1.102 539 K CA -0.229 55.789 56.287 -0.450 0.000 1.058 539 K CB 0.647 32.580 32.500 -0.944 0.000 0.779 539 K HN 0.195 nan 8.250 nan 0.000 0.483 540 K N 1.096 121.374 120.400 -0.204 0.000 2.103 540 K HA -0.184 4.137 4.320 0.001 0.000 0.207 540 K C 1.711 178.224 176.600 -0.145 0.000 1.048 540 K CA 1.348 57.545 56.287 -0.151 0.000 0.930 540 K CB 0.199 32.635 32.500 -0.108 0.000 0.716 540 K HN 0.239 nan 8.250 nan 0.000 0.444 541 E N 0.623 120.737 120.200 -0.144 0.000 2.204 541 E HA -0.143 4.207 4.350 0.001 0.000 0.195 541 E C 1.198 177.714 176.600 -0.140 0.000 0.990 541 E CA 0.821 57.147 56.400 -0.124 0.000 0.821 541 E CB 0.064 29.697 29.700 -0.113 0.000 0.750 541 E HN 0.317 nan 8.360 nan 0.000 0.477 542 A N -0.226 122.481 122.820 -0.188 0.000 2.337 542 A HA 0.335 4.656 4.320 0.001 0.000 0.227 542 A C 1.374 178.833 177.584 -0.209 0.000 1.259 542 A CA 0.639 52.556 52.037 -0.200 0.000 0.870 542 A CB -0.261 18.585 19.000 -0.256 0.000 0.927 542 A HN 0.385 nan 8.150 nan 0.000 0.497 543 G N -0.587 108.104 108.800 -0.182 0.000 2.136 543 G HA2 -0.215 3.745 3.960 0.001 0.000 0.242 543 G HA3 -0.215 3.745 3.960 0.001 0.000 0.242 543 G C 0.017 174.787 174.900 -0.216 0.000 0.989 543 G CA 0.308 45.309 45.100 -0.165 0.000 0.682 543 G HN 0.556 nan 8.290 nan 0.000 0.522 544 I N 0.709 121.121 120.570 -0.264 0.000 2.412 544 I HA 0.222 4.393 4.170 0.001 0.000 0.279 544 I C -1.026 175.015 176.117 -0.127 0.000 1.063 544 I CA -2.439 58.681 61.300 -0.301 0.000 1.193 544 I CB 1.649 39.379 38.000 -0.449 0.000 1.370 544 I HN -0.140 nan 8.210 nan 0.000 0.479 545 P HA -0.172 nan 4.420 nan 0.000 0.214 545 P C -0.362 176.920 177.300 -0.031 0.000 1.163 545 P CA 1.517 64.614 63.100 -0.005 0.000 0.889 545 P CB 0.170 31.896 31.700 0.042 0.000 0.790 546 E N -1.156 119.043 120.200 -0.001 0.000 2.216 546 E HA 0.311 4.662 4.350 0.001 0.000 0.260 546 E C -1.205 175.293 176.600 -0.171 0.000 0.880 546 E CA -0.898 55.405 56.400 -0.161 0.000 0.765 546 E CB 1.307 30.858 29.700 -0.249 0.000 1.174 546 E HN -0.083 nan 8.360 nan 0.000 0.417 547 F N 2.627 122.335 119.950 -0.404 0.000 2.391 547 F HA 0.260 4.787 4.527 0.001 0.000 0.359 547 F C -0.437 175.154 175.800 -0.348 0.000 1.122 547 F CA -1.382 56.442 58.000 -0.294 0.000 1.120 547 F CB 0.323 39.203 39.000 -0.200 0.000 1.142 547 F HN 0.429 nan 8.300 nan 0.000 0.483 548 Y N 1.943 122.170 120.300 -0.120 0.000 2.532 548 Y HA 0.101 4.652 4.550 0.001 0.000 0.283 548 Y C 0.771 176.735 175.900 0.106 0.000 1.181 548 Y CA -0.475 57.663 58.100 0.063 0.000 1.256 548 Y CB -0.412 38.088 38.460 0.065 0.000 1.112 548 Y HN 0.431 nan 8.280 nan 0.000 0.521 549 D N -0.211 119.912 120.400 -0.461 0.000 2.443 549 D HA -0.131 4.509 4.640 0.001 0.000 0.239 549 D C -0.078 176.084 176.300 -0.230 0.000 1.136 549 D CA 0.670 54.325 54.000 -0.576 0.000 0.879 549 D CB 0.242 40.437 40.800 -1.008 0.000 1.195 549 D HN 0.298 nan 8.370 nan 0.000 0.443 550 Y N 0.312 120.390 120.300 -0.371 0.000 3.491 550 Y HA -0.261 4.289 4.550 0.001 0.000 0.215 550 Y C 0.565 176.368 175.900 -0.161 0.000 1.219 550 Y CA 0.592 58.437 58.100 -0.425 0.000 1.485 550 Y CB -1.447 36.629 38.460 -0.641 0.000 1.450 550 Y HN 0.399 nan 8.280 nan 0.000 0.603 551 D N 1.523 121.960 120.400 0.062 0.000 2.767 551 D HA 0.309 4.949 4.640 0.001 0.000 0.231 551 D C -0.175 176.138 176.300 0.022 0.000 1.105 551 D CA 0.385 54.458 54.000 0.122 0.000 1.024 551 D CB -0.499 40.554 40.800 0.421 0.000 1.123 551 D HN 0.204 nan 8.370 nan 0.000 0.470 552 V N -1.580 118.292 119.914 -0.071 0.000 2.962 552 V HA 1.007 5.127 4.120 0.001 0.000 0.313 552 V C -0.498 175.602 176.094 0.010 0.000 1.099 552 V CA -1.218 61.087 62.300 0.009 0.000 0.971 552 V CB 1.592 33.455 31.823 0.066 0.000 1.028 552 V HN 0.196 nan 8.190 nan 0.000 0.430 553 A N 3.007 125.974 122.820 0.246 0.000 2.574 553 A HA 0.862 5.183 4.320 0.001 0.000 0.297 553 A C -1.532 176.273 177.584 0.367 0.000 1.062 553 A CA -0.601 51.612 52.037 0.292 0.000 0.686 553 A CB 1.770 20.756 19.000 -0.023 0.000 1.285 553 A HN 1.007 nan 8.150 nan 0.000 0.403 554 L N 2.310 123.729 121.223 0.327 0.000 2.305 554 L HA 0.519 4.859 4.340 0.001 0.000 0.284 554 L C -0.780 176.182 176.870 0.153 0.000 1.013 554 L CA -0.382 54.582 54.840 0.207 0.000 0.819 554 L CB 1.550 43.619 42.059 0.017 0.000 1.227 554 L HN 0.626 nan 8.230 nan 0.000 0.417 555 I N 4.084 124.730 120.570 0.127 0.000 2.325 555 I HA 0.218 4.389 4.170 0.001 0.000 0.291 555 I C 0.186 176.291 176.117 -0.020 0.000 1.019 555 I CA -0.301 60.990 61.300 -0.016 0.000 1.302 555 I CB 1.180 39.150 38.000 -0.050 0.000 1.401 555 I HN 0.492 nan 8.210 nan 0.000 0.485 556 K N 7.681 127.978 120.400 -0.172 0.000 2.253 556 K HA 0.477 4.798 4.320 0.001 0.000 0.277 556 K C -0.672 175.750 176.600 -0.296 0.000 1.053 556 K CA -0.580 55.387 56.287 -0.532 0.000 0.892 556 K CB 0.782 32.931 32.500 -0.586 0.000 1.102 556 K HN 0.544 nan 8.250 nan 0.000 0.469 557 L N 4.217 125.316 121.223 -0.208 0.000 2.464 557 L HA 0.129 4.470 4.340 0.001 0.000 0.264 557 L C 1.584 178.445 176.870 -0.014 0.000 1.199 557 L CA -0.183 54.621 54.840 -0.061 0.000 0.818 557 L CB 0.594 42.651 42.059 -0.003 0.000 1.102 557 L HN 0.687 nan 8.230 nan 0.000 0.473 558 K N 0.628 121.026 120.400 -0.004 0.000 2.062 558 K HA -0.000 4.320 4.320 0.001 0.000 0.205 558 K C 0.120 176.787 176.600 0.112 0.000 1.051 558 K CA 0.873 57.169 56.287 0.014 0.000 0.941 558 K CB 0.067 32.565 32.500 -0.003 0.000 0.719 558 K HN 0.544 nan 8.250 nan 0.000 0.440 559 N N 1.570 120.316 118.700 0.077 0.000 2.405 559 N HA 0.084 4.825 4.740 0.001 0.000 0.299 559 N C -0.839 174.619 175.510 -0.087 0.000 1.075 559 N CA -0.271 52.798 53.050 0.032 0.000 0.884 559 N CB 1.659 40.131 38.487 -0.025 0.000 1.194 559 N HN -0.028 nan 8.380 nan 0.000 0.491 560 K N 1.818 122.025 120.400 -0.322 0.000 2.368 560 K HA 0.227 4.547 4.320 0.001 0.000 0.282 560 K C -0.208 176.176 176.600 -0.360 0.000 1.035 560 K CA -0.280 55.583 56.287 -0.707 0.000 0.973 560 K CB 0.525 32.517 32.500 -0.846 0.000 0.957 560 K HN 0.418 nan 8.250 nan 0.000 0.474 561 L N 3.575 124.617 121.223 -0.302 0.000 2.439 561 L HA 0.269 4.610 4.340 0.001 0.000 0.261 561 L C -0.231 176.495 176.870 -0.240 0.000 1.153 561 L CA -0.457 54.283 54.840 -0.167 0.000 0.808 561 L CB 0.816 42.859 42.059 -0.027 0.000 1.126 561 L HN 0.515 nan 8.230 nan 0.000 0.460 562 K N 1.124 121.429 120.400 -0.158 0.000 2.345 562 K HA 0.421 4.741 4.320 0.001 0.000 0.255 562 K C -1.239 175.348 176.600 -0.021 0.000 0.934 562 K CA -0.362 55.806 56.287 -0.199 0.000 0.801 562 K CB 1.236 33.656 32.500 -0.134 0.000 1.137 562 K HN 0.220 nan 8.250 nan 0.000 0.424 563 Y N 0.763 121.038 120.300 -0.042 0.000 2.346 563 Y HA 0.455 5.005 4.550 0.001 0.000 0.330 563 Y C 1.288 177.170 175.900 -0.029 0.000 1.178 563 Y CA -0.472 57.613 58.100 -0.026 0.000 1.331 563 Y CB 1.181 39.638 38.460 -0.005 0.000 1.253 563 Y HN 0.708 nan 8.280 nan 0.000 0.529 564 G N 1.250 110.133 108.800 0.138 0.000 2.749 564 G HA2 0.230 4.190 3.960 0.001 0.000 0.300 564 G HA3 0.230 4.190 3.960 0.001 0.000 0.300 564 G C -0.711 174.196 174.900 0.011 0.000 1.352 564 G CA -0.724 44.401 45.100 0.041 0.000 0.789 564 G HN 0.453 nan 8.290 nan 0.000 0.509 565 Q N -0.604 119.175 119.800 -0.034 0.000 2.500 565 Q HA 0.068 4.408 4.340 0.001 0.000 0.213 565 Q C 2.162 178.150 176.000 -0.020 0.000 0.974 565 Q CA 1.804 57.604 55.803 -0.006 0.000 0.918 565 Q CB 0.171 28.810 28.738 -0.165 0.000 0.980 565 Q HN 0.635 nan 8.270 nan 0.000 0.505 566 T N -3.985 110.489 114.554 -0.134 0.000 3.003 566 T HA 0.363 4.714 4.350 0.001 0.000 0.261 566 T C 0.408 175.026 174.700 -0.137 0.000 1.003 566 T CA -0.214 61.751 62.100 -0.226 0.000 0.917 566 T CB 0.416 69.086 68.868 -0.330 0.000 1.084 566 T HN 0.025 nan 8.240 nan 0.000 0.522 567 I N 2.098 122.625 120.570 -0.072 0.000 2.517 567 I HA 0.515 4.685 4.170 0.001 0.000 0.280 567 I C -0.875 175.239 176.117 -0.005 0.000 1.061 567 I CA -0.907 60.379 61.300 -0.023 0.000 1.091 567 I CB 1.481 39.495 38.000 0.023 0.000 1.205 567 I HN 0.031 nan 8.210 nan 0.000 0.459 568 R N 5.979 126.426 120.500 -0.089 0.000 2.740 568 R HA 0.582 4.923 4.340 0.001 0.000 0.273 568 R C -2.992 173.170 176.300 -0.230 0.000 0.998 568 R CA -1.831 54.100 56.100 -0.281 0.000 0.900 568 R CB 2.466 32.680 30.300 -0.143 0.000 1.223 568 R HN 0.184 nan 8.270 nan 0.000 0.466 569 P HA 0.231 nan 4.420 nan 0.000 0.281 569 P C -0.667 176.614 177.300 -0.032 0.000 1.249 569 P CA -0.384 62.608 63.100 -0.180 0.000 0.810 569 P CB 1.359 32.900 31.700 -0.265 0.000 1.008 570 I N 1.749 122.326 120.570 0.012 0.000 2.566 570 I HA 0.213 4.383 4.170 0.001 0.000 0.303 570 I C 0.013 176.067 176.117 -0.105 0.000 0.983 570 I CA -0.736 60.508 61.300 -0.093 0.000 1.235 570 I CB 1.015 38.819 38.000 -0.327 0.000 1.386 570 I HN 0.355 nan 8.210 nan 0.000 0.494 571 c N 6.819 125.351 118.600 -0.114 0.000 2.644 571 c HA 0.316 4.886 4.570 0.001 0.000 0.417 571 c C 0.267 174.274 174.090 -0.138 0.000 1.304 571 c CA -0.489 55.772 56.329 -0.114 0.000 2.035 571 c CB -0.616 41.840 42.510 -0.091 0.000 2.673 571 c HN 0.488 nan 8.230 nan 0.000 0.602 572 L N 4.186 125.308 121.223 -0.169 0.000 2.334 572 L HA 0.421 4.761 4.340 0.001 0.000 0.273 572 L C -2.212 174.517 176.870 -0.237 0.000 1.013 572 L CA -1.802 52.932 54.840 -0.178 0.000 0.816 572 L CB 1.393 43.359 42.059 -0.154 0.000 1.278 572 L HN 0.314 nan 8.230 nan 0.000 0.431 573 P HA -0.010 nan 4.420 nan 0.000 0.266 573 P C -0.234 176.890 177.300 -0.294 0.000 1.195 573 P CA -0.140 62.671 63.100 -0.483 0.000 0.768 573 P CB 0.294 31.269 31.700 -1.209 0.000 0.838 574 c N 0.987 119.484 118.600 -0.171 0.000 4.167 574 c HA -0.105 4.465 4.570 0.001 0.000 0.302 574 c C 0.870 174.913 174.090 -0.077 0.000 1.384 574 c CA 1.190 57.502 56.329 -0.029 0.000 2.041 574 c CB -3.198 39.352 42.510 0.067 0.000 1.303 574 c HN 0.806 nan 8.230 nan 0.000 0.718 575 T N -3.906 110.522 114.554 -0.209 0.000 2.916 575 T HA 0.568 4.918 4.350 0.001 0.000 0.292 575 T C 0.767 175.361 174.700 -0.176 0.000 1.064 575 T CA -0.489 61.407 62.100 -0.340 0.000 1.011 575 T CB 1.520 70.038 68.868 -0.584 0.000 1.152 575 T HN 0.392 nan 8.240 nan 0.000 0.510 576 E N 0.643 120.755 120.200 -0.146 0.000 2.204 576 E HA 0.006 4.357 4.350 0.001 0.000 0.194 576 E C 2.188 178.743 176.600 -0.075 0.000 0.989 576 E CA 0.827 57.181 56.400 -0.077 0.000 0.824 576 E CB -0.447 29.224 29.700 -0.049 0.000 0.756 576 E HN 0.876 nan 8.360 nan 0.000 0.477 577 G N 1.037 109.771 108.800 -0.110 0.000 2.418 577 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 577 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 577 G C 1.653 176.508 174.900 -0.074 0.000 1.158 577 G CA 1.194 46.243 45.100 -0.085 0.000 0.771 577 G HN 0.174 nan 8.290 nan 0.000 0.545 578 T N 0.737 115.233 114.554 -0.097 0.000 2.867 578 T HA -0.060 4.290 4.350 0.001 0.000 0.268 578 T C 2.627 177.303 174.700 -0.040 0.000 1.057 578 T CA 1.607 63.664 62.100 -0.071 0.000 1.136 578 T CB -0.315 68.501 68.868 -0.085 0.000 0.874 578 T HN 0.271 nan 8.240 nan 0.000 0.466 579 T N 1.785 116.317 114.554 -0.036 0.000 2.708 579 T HA -0.046 4.304 4.350 0.001 0.000 0.266 579 T C 2.174 176.868 174.700 -0.011 0.000 1.037 579 T CA 0.953 63.044 62.100 -0.015 0.000 1.146 579 T CB -0.098 68.764 68.868 -0.010 0.000 0.865 579 T HN 0.358 nan 8.240 nan 0.000 0.435 580 R N 0.853 121.344 120.500 -0.014 0.000 2.075 580 R HA 0.108 4.448 4.340 0.001 0.000 0.232 580 R C 2.827 179.125 176.300 -0.004 0.000 1.126 580 R CA 1.127 57.225 56.100 -0.004 0.000 0.963 580 R CB -0.447 29.852 30.300 -0.002 0.000 0.858 580 R HN 0.335 nan 8.270 nan 0.000 0.435 581 A N 1.195 124.007 122.820 -0.014 0.000 1.978 581 A HA -0.113 4.207 4.320 0.001 0.000 0.220 581 A C 2.006 179.576 177.584 -0.024 0.000 1.170 581 A CA 1.186 53.214 52.037 -0.016 0.000 0.636 581 A CB -0.398 18.587 19.000 -0.026 0.000 0.810 581 A HN 0.197 nan 8.150 nan 0.000 0.448 582 L N -2.036 119.173 121.223 -0.023 0.000 2.591 582 L HA 0.100 4.441 4.340 0.001 0.000 0.228 582 L C 0.479 177.341 176.870 -0.015 0.000 1.133 582 L CA 0.061 54.885 54.840 -0.027 0.000 0.880 582 L CB -0.126 41.922 42.059 -0.019 0.000 1.033 582 L HN 0.396 nan 8.230 nan 0.000 0.450 583 R N 0.043 120.541 120.500 -0.003 0.000 3.423 583 R HA -0.139 4.202 4.340 0.001 0.000 0.271 583 R C -0.657 175.649 176.300 0.010 0.000 1.093 583 R CA 0.281 56.386 56.100 0.009 0.000 0.730 583 R CB -2.230 28.078 30.300 0.012 0.000 1.190 583 R HN 0.274 nan 8.270 nan 0.000 0.437 584 L N 1.002 122.229 121.223 0.007 0.000 2.334 584 L HA 0.598 4.938 4.340 0.001 0.000 0.272 584 L C -1.393 175.484 176.870 0.011 0.000 1.020 584 L CA -2.381 52.465 54.840 0.010 0.000 0.812 584 L CB 1.094 43.159 42.059 0.010 0.000 1.264 584 L HN -0.115 nan 8.230 nan 0.000 0.439 585 P HA 0.063 nan 4.420 nan 0.000 0.269 585 P C -2.309 174.998 177.300 0.012 0.000 1.217 585 P CA -1.082 62.026 63.100 0.012 0.000 0.783 585 P CB 0.002 31.709 31.700 0.013 0.000 0.898 586 P HA -0.068 nan 4.420 nan 0.000 0.239 586 P C 0.951 178.259 177.300 0.014 0.000 1.184 586 P CA 1.111 64.218 63.100 0.011 0.000 0.760 586 P CB -0.454 31.252 31.700 0.010 0.000 0.884 587 T N -5.066 109.497 114.554 0.015 0.000 3.086 587 T HA 0.089 4.440 4.350 0.001 0.000 0.250 587 T C 0.722 175.435 174.700 0.022 0.000 1.074 587 T CA -0.154 61.956 62.100 0.018 0.000 0.988 587 T CB -1.081 67.797 68.868 0.016 0.000 0.988 587 T HN -0.086 nan 8.240 nan 0.000 0.530 588 T N 4.054 118.622 114.554 0.022 0.000 2.940 588 T HA 0.359 4.709 4.350 0.001 0.000 0.309 588 T C 0.708 175.430 174.700 0.036 0.000 1.056 588 T CA 0.110 62.226 62.100 0.027 0.000 1.137 588 T CB 0.844 69.727 68.868 0.025 0.000 0.976 588 T HN 0.664 nan 8.240 nan 0.000 0.547 589 T N -1.038 113.543 114.554 0.044 0.000 2.948 589 T HA 0.256 4.606 4.350 0.001 0.000 0.285 589 T C 1.601 176.350 174.700 0.082 0.000 1.019 589 T CA -0.942 61.192 62.100 0.057 0.000 1.013 589 T CB 0.930 69.829 68.868 0.052 0.000 1.117 589 T HN 0.662 nan 8.240 nan 0.000 0.533 590 c N 0.541 119.203 118.600 0.104 0.000 2.413 590 c HA -0.082 4.488 4.570 0.001 0.000 0.276 590 c C 2.800 176.998 174.090 0.179 0.000 1.236 590 c CA 1.841 58.269 56.329 0.165 0.000 1.735 590 c CB -1.445 41.168 42.510 0.172 0.000 2.031 590 c HN 1.084 nan 8.230 nan 0.000 0.474 591 Q N 0.518 120.385 119.800 0.111 0.000 2.135 591 Q HA -0.217 4.123 4.340 0.001 0.000 0.204 591 Q C 2.146 178.170 176.000 0.039 0.000 0.981 591 Q CA 2.068 57.908 55.803 0.062 0.000 0.856 591 Q CB -0.464 28.300 28.738 0.042 0.000 0.902 591 Q HN 0.781 nan 8.270 nan 0.000 0.425 592 Q N -0.691 119.140 119.800 0.051 0.000 2.119 592 Q HA -0.151 4.189 4.340 0.001 0.000 0.201 592 Q C 2.208 178.237 176.000 0.047 0.000 0.972 592 Q CA 1.360 57.185 55.803 0.036 0.000 0.847 592 Q CB -0.026 28.733 28.738 0.035 0.000 0.903 592 Q HN 0.538 nan 8.270 nan 0.000 0.433 593 Q N 0.557 120.416 119.800 0.097 0.000 2.119 593 Q HA -0.161 4.179 4.340 0.001 0.000 0.201 593 Q C 1.967 178.055 176.000 0.147 0.000 0.972 593 Q CA 1.021 56.910 55.803 0.143 0.000 0.847 593 Q CB 0.011 28.875 28.738 0.209 0.000 0.903 593 Q HN 0.188 nan 8.270 nan 0.000 0.433 594 K N 1.174 121.610 120.400 0.059 0.000 2.025 594 K HA -0.184 4.137 4.320 0.001 0.000 0.207 594 K C 1.649 178.111 176.600 -0.231 0.000 1.049 594 K CA 1.394 57.459 56.287 -0.371 0.000 0.933 594 K CB 0.127 32.339 32.500 -0.480 0.000 0.714 594 K HN 0.136 nan 8.250 nan 0.000 0.438 595 E N 0.020 120.155 120.200 -0.108 0.000 2.160 595 E HA -0.229 4.122 4.350 0.001 0.000 0.195 595 E C 1.859 178.428 176.600 -0.052 0.000 0.991 595 E CA 1.349 57.705 56.400 -0.073 0.000 0.810 595 E CB 0.070 29.749 29.700 -0.036 0.000 0.742 595 E HN 0.313 nan 8.360 nan 0.000 0.466 596 E N 0.621 120.803 120.200 -0.029 0.000 2.086 596 E HA -0.055 4.295 4.350 0.001 0.000 0.190 596 E C 1.820 178.410 176.600 -0.016 0.000 0.975 596 E CA 0.753 57.145 56.400 -0.014 0.000 0.813 596 E CB 0.036 29.739 29.700 0.005 0.000 0.768 596 E HN 0.170 nan 8.360 nan 0.000 0.457 597 L N -0.469 120.756 121.223 0.003 0.000 2.127 597 L HA 0.142 4.482 4.340 0.001 0.000 0.203 597 L C 0.679 177.534 176.870 -0.026 0.000 1.080 597 L CA 0.480 55.337 54.840 0.028 0.000 0.768 597 L CB 0.118 42.284 42.059 0.179 0.000 0.924 597 L HN 0.057 nan 8.230 nan 0.000 0.444 598 L N 2.098 123.246 121.223 -0.125 0.000 2.502 598 L HA 0.349 4.689 4.340 0.001 0.000 0.247 598 L C -2.335 174.460 176.870 -0.124 0.000 1.180 598 L CA -1.537 53.219 54.840 -0.140 0.000 0.956 598 L CB 0.786 42.697 42.059 -0.247 0.000 1.282 598 L HN -0.082 nan 8.230 nan 0.000 0.470 599 P HA 0.143 nan 4.420 nan 0.000 0.276 599 P C -0.227 177.056 177.300 -0.028 0.000 1.244 599 P CA -0.514 62.558 63.100 -0.047 0.000 0.801 599 P CB 1.609 33.293 31.700 -0.026 0.000 1.006 600 A N 2.680 125.488 122.820 -0.021 0.000 2.981 600 A HA 0.240 4.560 4.320 0.001 0.000 0.280 600 A C 0.681 178.271 177.584 0.009 0.000 1.797 600 A CA 0.345 52.379 52.037 -0.005 0.000 1.456 600 A CB -1.274 17.724 19.000 -0.004 0.000 1.057 600 A HN 0.639 nan 8.150 nan 0.000 0.602 601 Q N -0.247 119.565 119.800 0.019 0.000 2.944 601 Q HA 0.222 4.563 4.340 0.001 0.000 0.328 601 Q C -1.898 174.139 176.000 0.061 0.000 0.810 601 Q CA -1.133 54.692 55.803 0.036 0.000 0.847 601 Q CB 0.297 29.057 28.738 0.036 0.000 1.408 601 Q HN 0.196 nan 8.270 nan 0.000 0.484 602 D N 1.234 121.689 120.400 0.092 0.000 2.339 602 D HA 0.360 5.000 4.640 0.001 0.000 0.256 602 D C -0.504 175.918 176.300 0.203 0.000 1.214 602 D CA 0.332 54.431 54.000 0.164 0.000 0.877 602 D CB 0.511 41.420 40.800 0.182 0.000 1.111 602 D HN 0.320 nan 8.370 nan 0.000 0.478 603 I N 2.249 122.907 120.570 0.147 0.000 2.321 603 I HA 0.100 4.270 4.170 0.001 0.000 0.291 603 I C 0.619 176.679 176.117 -0.095 0.000 0.998 603 I CA -0.952 60.376 61.300 0.046 0.000 1.227 603 I CB 1.128 39.127 38.000 -0.001 0.000 1.368 603 I HN -0.029 nan 8.210 nan 0.000 0.466 604 K N 5.885 126.164 120.400 -0.202 0.000 2.412 604 K HA 0.521 4.842 4.320 0.001 0.000 0.284 604 K C -0.598 175.799 176.600 -0.337 0.000 1.046 604 K CA 0.199 56.158 56.287 -0.546 0.000 0.999 604 K CB 0.494 32.793 32.500 -0.335 0.000 0.941 604 K HN 0.756 nan 8.250 nan 0.000 0.474 605 A N 3.614 126.213 122.820 -0.369 0.000 2.533 605 A HA 0.821 5.141 4.320 0.001 0.000 0.293 605 A C -1.784 175.713 177.584 -0.144 0.000 1.228 605 A CA -0.760 51.166 52.037 -0.185 0.000 0.689 605 A CB 0.798 19.717 19.000 -0.135 0.000 1.303 605 A HN 0.731 nan 8.150 nan 0.000 0.444 606 L N -2.455 118.740 121.223 -0.048 0.000 2.622 606 L HA 0.996 5.336 4.340 0.001 0.000 0.258 606 L C -0.796 176.137 176.870 0.105 0.000 0.996 606 L CA -0.666 54.161 54.840 -0.020 0.000 0.858 606 L CB 1.371 43.401 42.059 -0.049 0.000 1.449 606 L HN 1.261 nan 8.230 nan 0.000 0.411 607 F N -0.912 119.032 119.950 -0.010 0.000 2.664 607 F HA 0.974 5.502 4.527 0.001 0.000 0.317 607 F C -1.387 174.448 175.800 0.058 0.000 1.108 607 F CA -1.355 56.661 58.000 0.026 0.000 0.957 607 F CB 1.522 40.530 39.000 0.013 0.000 1.365 607 F HN 0.346 nan 8.300 nan 0.000 0.475 608 V N 1.396 121.465 119.914 0.259 0.000 2.513 608 V HA 0.679 4.800 4.120 0.001 0.000 0.299 608 V C -0.701 175.520 176.094 0.212 0.000 1.035 608 V CA -0.525 61.840 62.300 0.108 0.000 0.889 608 V CB 1.421 33.334 31.823 0.149 0.000 0.988 608 V HN 0.912 nan 8.190 nan 0.000 0.440 609 S N 2.950 118.693 115.700 0.072 0.000 2.594 609 S HA 0.400 4.870 4.470 0.001 0.000 0.296 609 S C -0.700 173.930 174.600 0.051 0.000 1.124 609 S CA -0.644 57.638 58.200 0.136 0.000 1.011 609 S CB 1.335 64.651 63.200 0.194 0.000 1.016 609 S HN 0.888 nan 8.310 nan 0.000 0.485 610 E N 3.015 123.249 120.200 0.057 0.000 2.316 610 E HA 0.186 4.537 4.350 0.001 0.000 0.275 610 E C -0.796 175.818 176.600 0.023 0.000 1.029 610 E CA 0.026 56.439 56.400 0.022 0.000 0.871 610 E CB 0.505 30.223 29.700 0.028 0.000 1.022 610 E HN 0.642 nan 8.360 nan 0.000 0.418 611 E N 3.519 123.721 120.200 0.003 0.000 2.518 611 E HA 0.222 4.573 4.350 0.001 0.000 0.240 611 E C -1.007 175.592 176.600 -0.001 0.000 0.996 611 E CA 0.126 56.529 56.400 0.005 0.000 0.768 611 E CB 1.323 31.020 29.700 -0.004 0.000 1.329 611 E HN 0.752 nan 8.360 nan 0.000 0.408 612 E N 1.664 121.869 120.200 0.008 0.000 2.560 612 E HA -0.261 4.089 4.350 0.001 0.000 0.158 612 E C 0.748 177.349 176.600 0.001 0.000 1.709 612 E CA 1.767 58.171 56.400 0.007 0.000 0.653 612 E CB -2.871 26.831 29.700 0.004 0.000 1.090 612 E HN 0.981 nan 8.360 nan 0.000 0.355 613 K N -3.615 116.789 120.400 0.007 0.000 3.443 613 K HA -0.009 4.312 4.320 0.001 0.000 0.323 613 K C 1.652 178.237 176.600 -0.026 0.000 0.757 613 K CA 3.262 59.552 56.287 0.005 0.000 1.417 613 K CB -2.730 29.776 32.500 0.010 0.000 1.338 613 K HN 2.580 nan 8.250 nan 0.000 0.459 614 K N 0.776 121.151 120.400 -0.041 0.000 2.130 614 K HA 0.814 5.134 4.320 0.001 0.000 0.268 614 K C 0.270 176.820 176.600 -0.084 0.000 0.983 614 K CA -0.024 56.215 56.287 -0.079 0.000 0.893 614 K CB 0.929 33.388 32.500 -0.069 0.000 1.066 614 K HN 0.766 nan 8.250 nan 0.000 0.450 615 L N 1.822 122.967 121.223 -0.131 0.000 2.292 615 L HA 0.581 4.921 4.340 0.001 0.000 0.284 615 L C 0.625 177.427 176.870 -0.114 0.000 1.065 615 L CA -0.748 54.022 54.840 -0.118 0.000 0.806 615 L CB 1.932 43.890 42.059 -0.169 0.000 1.175 615 L HN 0.854 nan 8.230 nan 0.000 0.431 616 T N 2.926 117.423 114.554 -0.095 0.000 2.906 616 T HA 0.490 4.841 4.350 0.001 0.000 0.295 616 T C -0.534 174.081 174.700 -0.142 0.000 1.061 616 T CA -0.717 61.318 62.100 -0.109 0.000 1.000 616 T CB 1.371 70.181 68.868 -0.097 0.000 1.103 616 T HN 0.548 nan 8.240 nan 0.000 0.486 617 R N 2.761 123.170 120.500 -0.152 0.000 2.312 617 R HA 0.505 4.846 4.340 0.001 0.000 0.311 617 R C -0.487 175.641 176.300 -0.288 0.000 1.004 617 R CA -0.965 55.017 56.100 -0.196 0.000 0.902 617 R CB 0.868 31.098 30.300 -0.117 0.000 1.073 617 R HN 0.306 nan 8.270 nan 0.000 0.457 618 K N 2.721 122.807 120.400 -0.524 0.000 2.339 618 K HA 0.153 4.474 4.320 0.001 0.000 0.264 618 K C -0.506 175.841 176.600 -0.423 0.000 0.986 618 K CA -0.484 55.451 56.287 -0.587 0.000 0.866 618 K CB 1.897 33.715 32.500 -1.136 0.000 1.103 618 K HN 0.593 nan 8.250 nan 0.000 0.441 619 E N 2.698 122.769 120.200 -0.214 0.000 2.289 619 E HA 0.313 4.664 4.350 0.001 0.000 0.278 619 E C -0.425 176.131 176.600 -0.073 0.000 1.032 619 E CA -0.636 55.672 56.400 -0.154 0.000 0.854 619 E CB 0.836 30.455 29.700 -0.135 0.000 1.046 619 E HN 0.363 nan 8.360 nan 0.000 0.409 620 V N 1.581 121.435 119.914 -0.100 0.000 3.182 620 V HA 0.570 4.691 4.120 0.001 0.000 0.308 620 V C -1.592 174.379 176.094 -0.204 0.000 1.240 620 V CA -0.994 61.316 62.300 0.017 0.000 1.063 620 V CB 1.313 33.223 31.823 0.146 0.000 1.076 620 V HN 0.636 nan 8.190 nan 0.000 0.446 621 Y N 0.444 120.762 120.300 0.030 0.000 2.338 621 Y HA 0.690 5.240 4.550 0.001 0.000 0.333 621 Y C 0.095 176.000 175.900 0.008 0.000 0.968 621 Y CA -0.707 57.407 58.100 0.024 0.000 1.123 621 Y CB 1.874 40.374 38.460 0.066 0.000 1.165 621 Y HN 0.553 nan 8.280 nan 0.000 0.452 622 I N 5.213 125.828 120.570 0.075 0.000 2.396 622 I HA 0.152 4.322 4.170 0.001 0.000 0.289 622 I C -0.223 175.943 176.117 0.081 0.000 1.056 622 I CA -0.718 60.609 61.300 0.045 0.000 1.365 622 I CB 0.504 38.506 38.000 0.002 0.000 1.407 622 I HN 0.341 nan 8.210 nan 0.000 0.509 623 K N 5.643 126.081 120.400 0.063 0.000 2.171 623 K HA 0.101 4.422 4.320 0.001 0.000 0.274 623 K C 0.048 176.681 176.600 0.055 0.000 1.110 623 K CA 0.086 56.410 56.287 0.061 0.000 0.952 623 K CB -0.138 32.386 32.500 0.041 0.000 1.309 623 K HN 0.431 nan 8.250 nan 0.000 0.414 624 N N 0.959 119.690 118.700 0.051 0.000 2.235 624 N HA 0.105 4.845 4.740 0.001 0.000 0.231 624 N C 0.167 175.696 175.510 0.031 0.000 1.177 624 N CA -0.170 52.903 53.050 0.038 0.000 0.874 624 N CB 0.800 39.300 38.487 0.021 0.000 1.097 624 N HN 0.558 nan 8.380 nan 0.000 0.518 625 G N -0.576 108.246 108.800 0.037 0.000 3.119 625 G HA2 0.135 4.095 3.960 0.001 0.000 0.206 625 G HA3 0.135 4.095 3.960 0.001 0.000 0.206 625 G C -0.095 174.823 174.900 0.030 0.000 1.313 625 G CA -0.333 44.785 45.100 0.029 0.000 1.010 625 G HN 0.329 nan 8.290 nan 0.000 0.578 626 D N -0.904 119.511 120.400 0.024 0.000 2.379 626 D HA 0.015 4.655 4.640 0.001 0.000 0.243 626 D C 1.226 177.542 176.300 0.026 0.000 1.088 626 D CA 0.595 54.609 54.000 0.024 0.000 0.925 626 D CB 0.378 41.189 40.800 0.017 0.000 0.888 626 D HN 0.320 nan 8.370 nan 0.000 0.529 627 K N -0.293 120.124 120.400 0.029 0.000 2.355 627 K HA 0.061 4.381 4.320 0.001 0.000 0.198 627 K C 1.648 178.274 176.600 0.043 0.000 1.039 627 K CA -0.211 56.093 56.287 0.030 0.000 1.075 627 K CB 0.366 32.878 32.500 0.021 0.000 0.870 627 K HN 0.044 nan 8.250 nan 0.000 0.540 628 K N 0.967 121.398 120.400 0.050 0.000 1.991 628 K HA -0.147 4.173 4.320 0.001 0.000 0.212 628 K C 1.930 178.582 176.600 0.086 0.000 1.049 628 K CA 1.913 58.240 56.287 0.067 0.000 0.932 628 K CB -0.356 32.185 32.500 0.069 0.000 0.717 628 K HN 0.173 nan 8.250 nan 0.000 0.441 629 G N 0.190 109.037 108.800 0.078 0.000 2.503 629 G HA2 -0.275 3.685 3.960 0.001 0.000 0.221 629 G HA3 -0.275 3.685 3.960 0.001 0.000 0.221 629 G C 1.457 176.415 174.900 0.097 0.000 1.131 629 G CA 1.337 46.489 45.100 0.087 0.000 0.756 629 G HN 0.422 nan 8.290 nan 0.000 0.572 630 S N -0.640 115.109 115.700 0.082 0.000 2.387 630 S HA -0.150 4.320 4.470 0.001 0.000 0.226 630 S C 2.318 176.984 174.600 0.111 0.000 1.026 630 S CA 0.891 59.144 58.200 0.089 0.000 0.972 630 S CB -0.622 62.616 63.200 0.063 0.000 0.814 630 S HN 0.543 nan 8.310 nan 0.000 0.477 631 c N 2.609 121.264 118.600 0.091 0.000 2.432 631 c HA -0.084 4.487 4.570 0.001 0.000 0.277 631 c C 2.587 176.780 174.090 0.172 0.000 1.249 631 c CA 0.953 57.324 56.329 0.070 0.000 1.725 631 c CB -1.302 41.210 42.510 0.003 0.000 2.028 631 c HN 0.598 nan 8.230 nan 0.000 0.477 632 E N 0.021 120.362 120.200 0.235 0.000 2.051 632 E HA -0.200 4.150 4.350 0.001 0.000 0.192 632 E C 2.353 179.133 176.600 0.300 0.000 0.991 632 E CA 1.075 57.696 56.400 0.369 0.000 0.799 632 E CB -0.353 29.508 29.700 0.268 0.000 0.748 632 E HN 0.627 nan 8.360 nan 0.000 0.449 633 R N 0.951 121.577 120.500 0.210 0.000 2.159 633 R HA -0.127 4.213 4.340 0.001 0.000 0.237 633 R C 1.549 177.991 176.300 0.237 0.000 1.131 633 R CA 1.002 57.206 56.100 0.173 0.000 0.982 633 R CB -0.146 30.233 30.300 0.131 0.000 0.868 633 R HN 0.191 nan 8.270 nan 0.000 0.453 634 D N 0.566 121.161 120.400 0.325 0.000 2.351 634 D HA -0.078 4.562 4.640 0.001 0.000 0.216 634 D C 1.512 178.120 176.300 0.513 0.000 0.968 634 D CA 0.759 55.046 54.000 0.478 0.000 0.899 634 D CB 0.083 41.100 40.800 0.361 0.000 0.907 634 D HN 0.248 nan 8.370 nan 0.000 0.514 635 A N 1.259 124.326 122.820 0.411 0.000 2.125 635 A HA -0.209 4.112 4.320 0.001 0.000 0.219 635 A C 2.115 179.888 177.584 0.315 0.000 1.156 635 A CA 1.107 53.387 52.037 0.405 0.000 0.671 635 A CB -0.579 18.582 19.000 0.268 0.000 0.794 635 A HN 0.391 nan 8.150 nan 0.000 0.459 636 Q N -1.667 118.203 119.800 0.117 0.000 2.439 636 Q HA -0.155 4.185 4.340 0.001 0.000 0.211 636 Q C 0.718 176.590 176.000 -0.214 0.000 0.978 636 Q CA 1.509 57.246 55.803 -0.110 0.000 0.897 636 Q CB -0.553 27.985 28.738 -0.332 0.000 0.956 636 Q HN 0.756 nan 8.270 nan 0.000 0.483 637 Y N 0.589 120.976 120.300 0.145 0.000 2.468 637 Y HA 0.452 5.002 4.550 0.001 0.000 0.268 637 Y C 0.883 176.872 175.900 0.148 0.000 1.177 637 Y CA -0.328 57.837 58.100 0.108 0.000 1.265 637 Y CB 0.326 38.806 38.460 0.033 0.000 1.103 637 Y HN 0.173 nan 8.280 nan 0.000 0.522 638 A N 1.122 124.095 122.820 0.255 0.000 2.371 638 A HA 0.400 4.721 4.320 0.001 0.000 0.257 638 A C -2.412 175.183 177.584 0.018 0.000 1.089 638 A CA -1.596 50.513 52.037 0.120 0.000 0.794 638 A CB -0.106 18.897 19.000 0.005 0.000 1.029 638 A HN 0.006 nan 8.150 nan 0.000 0.488 639 P HA 0.215 nan 4.420 nan 0.000 0.261 639 P C 1.010 178.283 177.300 -0.045 0.000 1.183 639 P CA 2.064 65.154 63.100 -0.016 0.000 0.761 639 P CB 0.517 32.206 31.700 -0.019 0.000 0.785 640 G N 2.429 111.254 108.800 0.042 0.000 2.179 640 G HA2 -0.319 3.641 3.960 0.001 0.000 0.260 640 G HA3 -0.319 3.641 3.960 0.001 0.000 0.260 640 G C 0.489 175.553 174.900 0.274 0.000 0.977 640 G CA -0.200 44.961 45.100 0.102 0.000 0.641 640 G HN 0.452 nan 8.290 nan 0.000 0.533 641 Y N 1.679 121.956 120.300 -0.040 0.000 2.458 641 Y HA 0.172 4.722 4.550 0.001 0.000 0.256 641 Y C 2.145 178.005 175.900 -0.067 0.000 1.159 641 Y CA -0.291 57.771 58.100 -0.063 0.000 1.261 641 Y CB 0.039 38.465 38.460 -0.057 0.000 1.119 641 Y HN 0.523 nan 8.280 nan 0.000 0.524 642 D N 0.606 121.060 120.400 0.090 0.000 2.309 642 D HA -0.195 4.445 4.640 0.001 0.000 0.212 642 D C 1.024 177.307 176.300 -0.028 0.000 0.968 642 D CA 0.986 54.991 54.000 0.009 0.000 0.882 642 D CB -0.045 40.763 40.800 0.013 0.000 0.918 642 D HN 0.462 nan 8.370 nan 0.000 0.503 643 K N 0.520 120.901 120.400 -0.031 0.000 2.478 643 K HA 0.237 4.557 4.320 0.001 0.000 0.205 643 K C -0.164 176.380 176.600 -0.093 0.000 1.033 643 K CA -0.440 55.813 56.287 -0.057 0.000 1.091 643 K CB 0.873 33.346 32.500 -0.045 0.000 0.844 643 K HN -0.155 nan 8.250 nan 0.000 0.507 644 V N 2.684 122.522 119.914 -0.126 0.000 2.479 644 V HA 0.070 4.190 4.120 0.001 0.000 0.281 644 V C 1.746 177.757 176.094 -0.138 0.000 1.031 644 V CA 0.711 62.900 62.300 -0.186 0.000 1.038 644 V CB 0.274 31.919 31.823 -0.296 0.000 0.981 644 V HN 0.574 nan 8.190 nan 0.000 0.478 645 K N 4.525 124.849 120.400 -0.126 0.000 1.970 645 K HA -0.161 4.160 4.320 0.001 0.000 0.225 645 K C 0.946 177.494 176.600 -0.087 0.000 1.045 645 K CA 1.921 58.151 56.287 -0.095 0.000 1.002 645 K CB -0.389 32.059 32.500 -0.087 0.000 0.743 645 K HN 0.772 nan 8.250 nan 0.000 0.445 646 D N -0.026 120.321 120.400 -0.089 0.000 2.359 646 D HA 0.200 4.840 4.640 0.001 0.000 0.230 646 D C 0.649 176.902 176.300 -0.079 0.000 1.118 646 D CA -0.678 53.282 54.000 -0.066 0.000 0.844 646 D CB 0.973 41.743 40.800 -0.049 0.000 1.059 646 D HN 0.164 nan 8.370 nan 0.000 0.493 647 I N 3.535 124.068 120.570 -0.063 0.000 2.530 647 I HA -0.219 3.951 4.170 0.001 0.000 0.257 647 I C 2.018 178.122 176.117 -0.021 0.000 1.179 647 I CA 1.377 62.641 61.300 -0.059 0.000 1.440 647 I CB -0.275 37.715 38.000 -0.018 0.000 1.087 647 I HN 0.468 nan 8.210 nan 0.000 0.440 648 S N -1.198 114.506 115.700 0.007 0.000 2.603 648 S HA -0.125 4.346 4.470 0.001 0.000 0.229 648 S C 1.843 176.478 174.600 0.059 0.000 0.972 648 S CA 0.879 59.108 58.200 0.050 0.000 0.935 648 S CB -0.579 62.653 63.200 0.052 0.000 0.769 648 S HN 0.673 nan 8.310 nan 0.000 0.536 649 E N 0.598 120.799 120.200 0.002 0.000 2.250 649 E HA -0.021 4.330 4.350 0.001 0.000 0.192 649 E C 1.912 178.545 176.600 0.056 0.000 0.986 649 E CA 0.919 57.313 56.400 -0.009 0.000 0.849 649 E CB 0.218 29.849 29.700 -0.115 0.000 0.797 649 E HN 0.564 nan 8.360 nan 0.000 0.482 650 V N -1.380 118.537 119.914 0.006 0.000 2.685 650 V HA 0.118 4.239 4.120 0.001 0.000 0.244 650 V C 0.974 177.196 176.094 0.213 0.000 1.054 650 V CA 0.209 62.556 62.300 0.079 0.000 1.076 650 V CB 0.680 32.296 31.823 -0.345 0.000 0.725 650 V HN -0.069 nan 8.190 nan 0.000 0.467 651 V N 4.327 124.313 119.914 0.121 0.000 2.222 651 V HA 0.299 4.419 4.120 0.001 0.000 0.253 651 V C 0.926 177.215 176.094 0.325 0.000 1.210 651 V CA 0.499 62.880 62.300 0.134 0.000 1.079 651 V CB -0.631 31.197 31.823 0.008 0.000 1.265 651 V HN 0.795 nan 8.190 nan 0.000 0.494 652 T N 2.392 117.252 114.554 0.510 0.000 2.726 652 T HA 0.242 4.593 4.350 0.001 0.000 0.294 652 T C -1.511 173.318 174.700 0.215 0.000 1.013 652 T CA -1.533 60.745 62.100 0.297 0.000 0.996 652 T CB 0.909 69.872 68.868 0.159 0.000 1.016 652 T HN 0.309 nan 8.240 nan 0.000 0.529 653 P HA 0.102 nan 4.420 nan 0.000 0.231 653 P C 1.111 178.385 177.300 -0.043 0.000 1.158 653 P CA 0.340 63.470 63.100 0.050 0.000 0.763 653 P CB 0.054 31.777 31.700 0.038 0.000 0.805 654 R N -1.674 118.683 120.500 -0.237 0.000 2.299 654 R HA 0.163 4.504 4.340 0.001 0.000 0.197 654 R C 0.304 176.329 176.300 -0.460 0.000 0.971 654 R CA 0.213 56.030 56.100 -0.471 0.000 1.030 654 R CB -0.720 29.034 30.300 -0.911 0.000 0.932 654 R HN 0.210 nan 8.270 nan 0.000 0.477 655 F N -0.324 119.668 119.950 0.070 0.000 2.425 655 F HA 0.427 4.954 4.527 0.001 0.000 0.331 655 F C 0.366 176.269 175.800 0.172 0.000 1.085 655 F CA -0.964 57.132 58.000 0.161 0.000 1.028 655 F CB 1.055 40.212 39.000 0.263 0.000 1.177 655 F HN -0.293 nan 8.300 nan 0.000 0.487 656 L N 2.117 123.581 121.223 0.402 0.000 2.330 656 L HA 0.561 4.901 4.340 0.001 0.000 0.271 656 L C -0.978 176.032 176.870 0.233 0.000 1.013 656 L CA -0.797 54.199 54.840 0.259 0.000 0.816 656 L CB 2.017 44.194 42.059 0.196 0.000 1.287 656 L HN 0.628 nan 8.230 nan 0.000 0.435 657 c N 1.743 120.387 118.600 0.072 0.000 2.441 657 c HA 0.836 5.406 4.570 0.001 0.000 0.318 657 c C 0.314 174.324 174.090 -0.132 0.000 1.222 657 c CA -0.103 56.098 56.329 -0.213 0.000 1.474 657 c CB 0.825 43.208 42.510 -0.212 0.000 2.125 657 c HN 0.942 nan 8.230 nan 0.000 0.479 658 T N 2.164 116.608 114.554 -0.183 0.000 2.831 658 T HA 0.946 5.296 4.350 0.001 0.000 0.287 658 T C 0.099 174.729 174.700 -0.117 0.000 1.070 658 T CA 0.351 62.420 62.100 -0.050 0.000 1.010 658 T CB 1.081 69.991 68.868 0.071 0.000 1.264 658 T HN 2.484 nan 8.240 nan 0.000 0.532 659 G N -1.437 107.353 108.800 -0.016 0.000 2.712 659 G HA2 0.502 4.462 3.960 0.001 0.000 0.683 659 G HA3 0.502 4.462 3.960 0.001 0.000 0.683 659 G C 0.242 175.128 174.900 -0.024 0.000 1.320 659 G CA 0.141 45.222 45.100 -0.031 0.000 0.847 659 G HN 2.827 nan 8.290 nan 0.000 0.553 660 G N -2.849 105.936 108.800 -0.025 0.000 2.483 660 G HA2 0.399 4.359 3.960 0.001 0.000 0.521 660 G HA3 0.399 4.359 3.960 0.001 0.000 0.521 660 G C 0.772 175.670 174.900 -0.004 0.000 1.278 660 G CA 1.174 46.261 45.100 -0.021 0.000 0.965 660 G HN 2.394 nan 8.290 nan 0.000 0.504 661 V N -3.312 116.592 119.914 -0.017 0.000 3.528 661 V HA 0.703 4.824 4.120 0.001 0.000 0.294 661 V C 0.814 176.871 176.094 -0.063 0.000 1.404 661 V CA 1.353 63.637 62.300 -0.027 0.000 1.065 661 V CB 0.512 32.314 31.823 -0.035 0.000 0.904 661 V HN 1.880 nan 8.190 nan 0.000 0.435 662 S N 1.625 117.288 115.700 -0.062 0.000 2.532 662 S HA 0.638 5.108 4.470 0.001 0.000 0.299 662 S C -1.819 172.723 174.600 -0.097 0.000 1.105 662 S CA -1.020 57.112 58.200 -0.115 0.000 1.018 662 S CB 2.214 65.360 63.200 -0.090 0.000 1.021 662 S HN 0.236 nan 8.310 nan 0.000 0.483 663 P HA 0.108 nan 4.420 nan 0.000 0.233 663 P C -0.654 176.214 177.300 -0.719 0.000 1.167 663 P CA 0.650 63.494 63.100 -0.427 0.000 0.770 663 P CB -0.005 31.433 31.700 -0.435 0.000 0.837 664 Y N -1.008 119.137 120.300 -0.258 0.000 2.638 664 Y HA 0.571 5.121 4.550 0.001 0.000 0.339 664 Y C 0.245 176.114 175.900 -0.052 0.000 1.084 664 Y CA -1.675 56.333 58.100 -0.153 0.000 1.068 664 Y CB 0.772 39.130 38.460 -0.170 0.000 1.294 664 Y HN -0.274 nan 8.280 nan 0.000 0.480 665 A N 1.596 124.503 122.820 0.146 0.000 2.666 665 A HA 0.266 4.586 4.320 0.001 0.000 0.301 665 A C -0.870 176.786 177.584 0.119 0.000 1.470 665 A CA -0.319 51.772 52.037 0.089 0.000 1.159 665 A CB -1.147 17.889 19.000 0.059 0.000 1.116 665 A HN 0.602 nan 8.150 nan 0.000 0.548 666 D N 3.783 124.257 120.400 0.123 0.000 2.389 666 D HA 0.341 4.981 4.640 0.001 0.000 0.247 666 D C -1.797 174.566 176.300 0.106 0.000 1.128 666 D CA -0.657 53.428 54.000 0.141 0.000 0.884 666 D CB 0.864 41.754 40.800 0.149 0.000 1.194 666 D HN 0.380 nan 8.370 nan 0.000 0.441 667 P HA 0.218 nan 4.420 nan 0.000 0.276 667 P C -0.844 176.573 177.300 0.195 0.000 1.252 667 P CA -0.584 62.591 63.100 0.125 0.000 0.802 667 P CB 1.008 32.763 31.700 0.092 0.000 1.035 668 N N -1.000 117.797 118.700 0.160 0.000 2.443 668 N HA 0.382 5.123 4.740 0.001 0.000 0.293 668 N C -0.343 175.258 175.510 0.152 0.000 1.159 668 N CA -0.476 52.638 53.050 0.107 0.000 0.904 668 N CB 0.773 39.263 38.487 0.005 0.000 1.214 668 N HN 0.390 nan 8.380 nan 0.000 0.513 669 T N -1.750 112.751 114.554 -0.088 0.000 2.913 669 T HA 0.407 4.757 4.350 0.001 0.000 0.297 669 T C 0.056 174.729 174.700 -0.044 0.000 1.029 669 T CA -0.571 61.404 62.100 -0.208 0.000 1.104 669 T CB 0.044 68.629 68.868 -0.472 0.000 0.964 669 T HN 0.344 nan 8.240 nan 0.000 0.532 670 c N 2.344 120.961 118.600 0.029 0.000 2.349 670 c HA 0.527 5.098 4.570 0.001 0.000 0.361 670 c C 2.261 176.368 174.090 0.028 0.000 1.189 670 c CA -0.925 55.427 56.329 0.038 0.000 2.155 670 c CB 1.205 43.757 42.510 0.070 0.000 2.336 670 c HN 1.167 nan 8.230 nan 0.000 0.540 671 R N 0.921 121.441 120.500 0.034 0.000 2.103 671 R HA -0.143 4.197 4.340 0.001 0.000 0.242 671 R C 1.996 178.331 176.300 0.059 0.000 1.142 671 R CA 2.210 58.339 56.100 0.050 0.000 0.960 671 R CB -0.767 29.565 30.300 0.053 0.000 0.858 671 R HN 1.007 nan 8.270 nan 0.000 0.439 672 G N 0.091 108.925 108.800 0.056 0.000 2.470 672 G HA2 -0.213 3.748 3.960 0.001 0.000 0.220 672 G HA3 -0.213 3.748 3.960 0.001 0.000 0.220 672 G C 0.705 175.645 174.900 0.066 0.000 1.121 672 G CA 0.891 46.025 45.100 0.057 0.000 0.766 672 G HN 0.398 nan 8.290 nan 0.000 0.553 673 D N 0.401 120.846 120.400 0.075 0.000 2.347 673 D HA 0.053 4.694 4.640 0.001 0.000 0.213 673 D C 1.181 177.520 176.300 0.064 0.000 0.985 673 D CA 0.146 54.202 54.000 0.093 0.000 0.879 673 D CB 0.043 40.910 40.800 0.113 0.000 0.919 673 D HN 0.076 nan 8.370 nan 0.000 0.526 674 S N -0.599 115.133 115.700 0.053 0.000 2.558 674 S HA 0.292 4.763 4.470 0.001 0.000 0.293 674 S C 1.525 176.146 174.600 0.035 0.000 1.292 674 S CA 0.854 59.097 58.200 0.070 0.000 1.063 674 S CB 0.844 64.131 63.200 0.146 0.000 0.831 674 S HN 0.500 nan 8.310 nan 0.000 0.499 675 G N 2.690 111.526 108.800 0.059 0.000 2.258 675 G HA2 -0.189 3.772 3.960 0.001 0.000 0.233 675 G HA3 -0.189 3.772 3.960 0.001 0.000 0.233 675 G C 0.478 175.439 174.900 0.101 0.000 1.006 675 G CA -0.040 45.090 45.100 0.051 0.000 0.620 675 G HN 1.136 nan 8.290 nan 0.000 0.511 676 G N 1.358 110.225 108.800 0.111 0.000 2.636 676 G HA2 0.516 4.476 3.960 0.001 0.000 0.246 676 G HA3 0.516 4.476 3.960 0.001 0.000 0.246 676 G C -1.897 173.089 174.900 0.143 0.000 1.216 676 G CA 0.038 45.229 45.100 0.151 0.000 0.854 676 G HN 0.421 nan 8.290 nan 0.000 0.572 677 P HA 0.249 nan 4.420 nan 0.000 0.288 677 P C -0.902 176.441 177.300 0.071 0.000 1.267 677 P CA -0.648 62.496 63.100 0.072 0.000 0.815 677 P CB 1.936 33.618 31.700 -0.030 0.000 0.989 678 L N 4.917 126.147 121.223 0.012 0.000 2.257 678 L HA 0.424 4.764 4.340 0.001 0.000 0.290 678 L C -0.462 176.382 176.870 -0.044 0.000 1.044 678 L CA -0.416 54.398 54.840 -0.044 0.000 0.810 678 L CB -0.164 41.759 42.059 -0.227 0.000 1.193 678 L HN 0.257 nan 8.230 nan 0.000 0.425 679 I N 5.045 125.602 120.570 -0.022 0.000 2.562 679 I HA 0.476 4.646 4.170 0.001 0.000 0.301 679 I C -0.690 175.412 176.117 -0.025 0.000 1.003 679 I CA -1.064 60.211 61.300 -0.042 0.000 1.127 679 I CB 2.096 40.069 38.000 -0.045 0.000 1.304 679 I HN 0.198 nan 8.210 nan 0.000 0.446 680 V N 3.685 123.580 119.914 -0.032 0.000 2.417 680 V HA 0.225 4.345 4.120 0.001 0.000 0.291 680 V C -0.665 175.397 176.094 -0.054 0.000 1.024 680 V CA -0.597 61.679 62.300 -0.040 0.000 0.861 680 V CB 1.450 33.253 31.823 -0.033 0.000 0.985 680 V HN 0.579 nan 8.190 nan 0.000 0.436 681 H N 5.698 124.631 119.070 -0.228 0.000 2.690 681 H HA 0.549 5.106 4.556 0.001 0.000 0.289 681 H C -0.496 174.641 175.328 -0.317 0.000 1.089 681 H CA -0.249 55.547 56.048 -0.419 0.000 1.299 681 H CB 0.372 29.882 29.762 -0.420 0.000 1.405 681 H HN 0.546 nan 8.280 nan 0.000 0.463 682 K N 4.075 124.212 120.400 -0.437 0.000 2.464 682 K HA 0.328 4.649 4.320 0.001 0.000 0.253 682 K C -0.149 176.246 176.600 -0.342 0.000 0.933 682 K CA -1.104 54.959 56.287 -0.373 0.000 0.801 682 K CB 2.158 34.542 32.500 -0.194 0.000 1.271 682 K HN 0.539 nan 8.250 nan 0.000 0.430 683 R N 0.522 120.842 120.500 -0.299 0.000 3.516 683 R HA -0.175 4.165 4.340 0.001 0.000 0.271 683 R C -0.524 175.656 176.300 -0.200 0.000 1.098 683 R CA 0.980 56.962 56.100 -0.197 0.000 0.732 683 R CB -2.862 27.372 30.300 -0.111 0.000 1.152 683 R HN 1.013 nan 8.270 nan 0.000 0.455 684 S N -2.109 113.378 115.700 -0.354 0.000 3.380 684 S HA -0.222 4.248 4.470 0.001 0.000 0.300 684 S C 0.401 174.971 174.600 -0.050 0.000 1.255 684 S CA 1.755 59.849 58.200 -0.176 0.000 0.963 684 S CB -0.435 62.747 63.200 -0.029 0.000 1.106 684 S HN 0.421 nan 8.310 nan 0.000 0.629 685 R N -0.714 119.672 120.500 -0.190 0.000 2.873 685 R HA 0.723 5.064 4.340 0.001 0.000 0.264 685 R C -0.834 175.312 176.300 -0.256 0.000 1.026 685 R CA -0.539 55.526 56.100 -0.058 0.000 1.002 685 R CB 0.573 30.862 30.300 -0.018 0.000 1.174 685 R HN 0.156 nan 8.270 nan 0.000 0.488 686 F N 1.652 121.620 119.950 0.029 0.000 2.449 686 F HA 0.448 4.976 4.527 0.001 0.000 0.342 686 F C 0.169 175.854 175.800 -0.193 0.000 1.127 686 F CA -0.768 57.176 58.000 -0.094 0.000 0.975 686 F CB 1.226 40.067 39.000 -0.265 0.000 1.146 686 F HN 0.021 nan 8.300 nan 0.000 0.444 687 I N 2.956 123.494 120.570 -0.053 0.000 2.378 687 I HA 0.266 4.436 4.170 0.001 0.000 0.291 687 I C -0.193 175.860 176.117 -0.107 0.000 0.992 687 I CA -0.804 60.445 61.300 -0.085 0.000 1.154 687 I CB 1.570 39.538 38.000 -0.053 0.000 1.315 687 I HN 0.635 nan 8.210 nan 0.000 0.448 688 Q N 4.807 124.522 119.800 -0.142 0.000 2.279 688 Q HA 0.329 4.669 4.340 0.001 0.000 0.256 688 Q C 0.338 176.302 176.000 -0.059 0.000 0.937 688 Q CA -0.301 55.428 55.803 -0.124 0.000 0.933 688 Q CB 1.536 30.188 28.738 -0.144 0.000 1.189 688 Q HN 0.672 nan 8.270 nan 0.000 0.417 689 V N 0.760 120.669 119.914 -0.009 0.000 3.621 689 V HA 0.567 4.688 4.120 0.001 0.000 0.263 689 V C 0.501 176.643 176.094 0.081 0.000 1.272 689 V CA 0.648 62.992 62.300 0.073 0.000 1.080 689 V CB 0.457 32.360 31.823 0.133 0.000 0.816 689 V HN 0.654 nan 8.190 nan 0.000 0.451 690 G N -0.687 108.138 108.800 0.041 0.000 2.649 690 G HA2 0.592 4.553 3.960 0.001 0.000 0.290 690 G HA3 0.592 4.553 3.960 0.001 0.000 0.290 690 G C -1.930 173.022 174.900 0.087 0.000 1.426 690 G CA -0.421 44.725 45.100 0.076 0.000 0.794 690 G HN 0.171 nan 8.290 nan 0.000 0.483 691 V N 1.068 121.067 119.914 0.143 0.000 2.448 691 V HA 0.355 4.476 4.120 0.001 0.000 0.295 691 V C 0.305 176.528 176.094 0.215 0.000 1.025 691 V CA -0.598 61.796 62.300 0.157 0.000 0.859 691 V CB 1.430 33.344 31.823 0.152 0.000 0.988 691 V HN 0.637 nan 8.190 nan 0.000 0.431 692 I N 3.698 124.387 120.570 0.199 0.000 2.742 692 I HA -0.011 4.160 4.170 0.001 0.000 0.287 692 I C 1.240 177.444 176.117 0.145 0.000 1.186 692 I CA 0.883 62.294 61.300 0.185 0.000 1.417 692 I CB 0.731 38.773 38.000 0.070 0.000 1.377 692 I HN 0.785 nan 8.210 nan 0.000 0.556 693 S N 7.519 123.273 115.700 0.091 0.000 2.942 693 S HA 0.282 4.753 4.470 0.001 0.000 0.220 693 S C -0.240 174.404 174.600 0.073 0.000 0.945 693 S CA -0.280 58.055 58.200 0.225 0.000 0.851 693 S CB 0.486 63.959 63.200 0.456 0.000 0.820 693 S HN 0.738 nan 8.310 nan 0.000 0.624 694 W N 0.155 121.266 121.300 -0.315 0.000 3.003 694 W HA 0.723 5.383 4.660 0.001 0.000 0.362 694 W C -0.458 175.905 176.519 -0.260 0.000 1.213 694 W CA -0.667 56.415 57.345 -0.438 0.000 1.157 694 W CB 0.356 29.316 29.460 -0.833 0.000 1.493 694 W HN 0.445 nan 8.180 nan 0.000 0.589 695 G N -0.462 108.346 108.800 0.014 0.000 2.695 695 G HA2 0.485 4.446 3.960 0.001 0.000 0.290 695 G HA3 0.485 4.446 3.960 0.001 0.000 0.290 695 G C -0.842 174.134 174.900 0.127 0.000 1.410 695 G CA -0.450 44.590 45.100 -0.100 0.000 0.844 695 G HN 0.366 nan 8.290 nan 0.000 0.478 696 V N -0.439 119.519 119.914 0.073 0.000 2.426 696 V HA 0.116 4.236 4.120 0.001 0.000 0.242 696 V C 0.876 177.026 176.094 0.094 0.000 1.036 696 V CA 0.752 63.156 62.300 0.174 0.000 1.044 696 V CB 0.051 32.017 31.823 0.239 0.000 0.688 696 V HN 0.389 nan 8.190 nan 0.000 0.462 697 V N 1.439 121.351 119.914 -0.003 0.000 2.417 697 V HA 0.367 4.488 4.120 0.001 0.000 0.291 697 V C -0.601 175.472 176.094 -0.035 0.000 1.024 697 V CA -0.694 61.583 62.300 -0.038 0.000 0.861 697 V CB 1.582 33.305 31.823 -0.167 0.000 0.985 697 V HN 0.359 nan 8.190 nan 0.000 0.436 698 D N 4.215 124.608 120.400 -0.011 0.000 2.383 698 D HA 0.153 4.793 4.640 0.001 0.000 0.245 698 D C 0.582 176.874 176.300 -0.012 0.000 1.263 698 D CA -0.050 53.946 54.000 -0.007 0.000 0.936 698 D CB 1.179 41.983 40.800 0.007 0.000 1.053 698 D HN 0.435 nan 8.370 nan 0.000 0.507 699 V N 1.412 121.317 119.914 -0.016 0.000 3.085 699 V HA 0.363 4.483 4.120 0.001 0.000 0.345 699 V C 0.342 176.438 176.094 0.004 0.000 1.397 699 V CA -0.641 61.652 62.300 -0.012 0.000 1.165 699 V CB -0.841 30.968 31.823 -0.025 0.000 1.153 699 V HN 0.452 nan 8.190 nan 0.000 0.495 705 R N 1.312 121.826 120.500 0.023 0.000 2.643 705 R HA 0.241 4.581 4.340 0.001 0.000 0.270 705 R C 0.498 176.807 176.300 0.015 0.000 1.061 705 R CA 0.040 56.156 56.100 0.026 0.000 1.107 705 R CB 0.722 31.041 30.300 0.031 0.000 0.999 705 R HN 0.704 nan 8.270 nan 0.000 0.460 706 Q N 1.438 121.245 119.800 0.011 0.000 2.368 706 Q HA 0.130 4.470 4.340 0.001 0.000 0.237 706 Q C 1.132 177.133 176.000 0.002 0.000 0.987 706 Q CA 0.348 56.154 55.803 0.004 0.000 0.896 706 Q CB 1.213 29.950 28.738 -0.002 0.000 1.241 706 Q HN 0.687 nan 8.270 nan 0.000 0.485 707 K N 1.303 121.703 120.400 0.000 0.000 1.974 707 K HA -0.169 4.152 4.320 0.001 0.000 0.229 707 K C 0.871 177.469 176.600 -0.003 0.000 1.038 707 K CA 2.343 58.630 56.287 -0.001 0.000 1.034 707 K CB -1.622 30.877 32.500 -0.001 0.000 0.742 707 K HN 0.760 nan 8.250 nan 0.000 0.446 708 Q N -0.232 119.564 119.800 -0.007 0.000 2.337 708 Q HA 0.661 5.001 4.340 0.001 0.000 0.266 708 Q C -0.253 175.735 176.000 -0.021 0.000 1.023 708 Q CA -0.350 55.447 55.803 -0.011 0.000 0.829 708 Q CB 1.140 29.872 28.738 -0.010 0.000 1.306 708 Q HN 1.628 nan 8.270 nan 0.000 0.449 709 V N -0.049 119.847 119.914 -0.030 0.000 2.881 709 V HA 0.953 5.074 4.120 0.001 0.000 0.316 709 V C -2.550 173.497 176.094 -0.078 0.000 1.070 709 V CA -2.082 60.184 62.300 -0.057 0.000 0.976 709 V CB 1.393 33.179 31.823 -0.062 0.000 1.038 709 V HN 0.834 nan 8.190 nan 0.000 0.446 710 P HA 0.360 nan 4.420 nan 0.000 0.270 710 P C 0.557 177.770 177.300 -0.146 0.000 1.223 710 P CA 0.199 63.209 63.100 -0.149 0.000 0.785 710 P CB 0.698 32.212 31.700 -0.311 0.000 0.923 711 A N 0.983 123.771 122.820 -0.052 0.000 2.168 711 A HA -0.131 4.189 4.320 0.001 0.000 0.215 711 A C 1.345 178.919 177.584 -0.017 0.000 1.152 711 A CA 1.323 53.343 52.037 -0.029 0.000 0.716 711 A CB -1.341 17.659 19.000 -0.002 0.000 0.794 711 A HN 0.847 nan 8.150 nan 0.000 0.465 712 H N -3.058 115.954 119.070 -0.098 0.000 2.520 712 H HA 0.651 5.207 4.556 0.001 0.000 0.284 712 H C 0.558 175.857 175.328 -0.048 0.000 1.037 712 H CA 0.192 56.184 56.048 -0.093 0.000 1.168 712 H CB -0.233 29.393 29.762 -0.225 0.000 1.497 712 H HN 0.206 nan 8.280 nan 0.000 0.547 713 A N 2.491 125.111 122.820 -0.333 0.000 2.906 713 A HA 0.203 4.523 4.320 0.001 0.000 0.289 713 A C 0.012 177.500 177.584 -0.161 0.000 1.675 713 A CA -0.647 51.238 52.037 -0.253 0.000 1.372 713 A CB -0.408 18.460 19.000 -0.220 0.000 1.091 713 A HN 0.335 nan 8.150 nan 0.000 0.579 714 R N 1.492 121.903 120.500 -0.147 0.000 2.536 714 R HA 0.508 4.849 4.340 0.001 0.000 0.279 714 R C -1.257 174.761 176.300 -0.469 0.000 1.001 714 R CA -0.585 55.340 56.100 -0.292 0.000 1.027 714 R CB 1.026 31.141 30.300 -0.309 0.000 1.096 714 R HN 0.495 nan 8.270 nan 0.000 0.502 715 D N 1.360 121.357 120.400 -0.673 0.000 2.481 715 D HA 0.407 5.048 4.640 0.001 0.000 0.244 715 D C -0.669 174.856 176.300 -1.291 0.000 1.057 715 D CA -0.270 53.253 54.000 -0.795 0.000 0.848 715 D CB 1.498 41.989 40.800 -0.515 0.000 1.388 715 D HN 0.161 nan 8.370 nan 0.000 0.475 716 F N 1.155 120.391 119.950 -1.190 0.000 2.480 716 F HA 0.400 4.928 4.527 0.001 0.000 0.329 716 F C 0.721 175.968 175.800 -0.922 0.000 1.091 716 F CA -0.567 56.790 58.000 -1.073 0.000 0.972 716 F CB 1.610 39.664 39.000 -1.577 0.000 1.150 716 F HN 0.126 nan 8.300 nan 0.000 0.467 717 H N 2.849 122.027 119.070 0.180 0.000 2.851 717 H HA 0.395 4.951 4.556 0.001 0.000 0.372 717 H C -0.840 174.640 175.328 0.253 0.000 1.158 717 H CA -0.897 55.261 56.048 0.183 0.000 1.159 717 H CB 2.368 32.154 29.762 0.041 0.000 1.757 717 H HN 0.279 nan 8.280 nan 0.000 0.546 718 I N 2.514 123.231 120.570 0.245 0.000 2.452 718 I HA -0.082 4.088 4.170 0.001 0.000 0.287 718 I C 0.921 177.074 176.117 0.059 0.000 1.079 718 I CA -0.141 61.163 61.300 0.007 0.000 1.387 718 I CB -0.097 37.880 38.000 -0.038 0.000 1.404 718 I HN 0.478 nan 8.210 nan 0.000 0.522 719 N N 7.225 125.936 118.700 0.018 0.000 2.399 719 N HA 0.072 4.812 4.740 0.001 0.000 0.259 719 N C 0.990 176.570 175.510 0.117 0.000 1.160 719 N CA -0.028 53.085 53.050 0.105 0.000 0.946 719 N CB 0.757 39.309 38.487 0.108 0.000 1.156 719 N HN 0.506 nan 8.380 nan 0.000 0.489 720 L N 2.875 124.175 121.223 0.129 0.000 2.187 720 L HA -0.174 4.167 4.340 0.001 0.000 0.213 720 L C 1.438 178.352 176.870 0.075 0.000 1.100 720 L CA 1.019 55.911 54.840 0.087 0.000 0.765 720 L CB -0.396 41.671 42.059 0.012 0.000 0.904 720 L HN 0.471 nan 8.230 nan 0.000 0.437 721 F N -0.011 119.985 119.950 0.076 0.000 2.293 721 F HA -0.171 4.356 4.527 0.001 0.000 0.300 721 F C 2.546 178.393 175.800 0.079 0.000 1.086 721 F CA 0.974 59.021 58.000 0.078 0.000 1.375 721 F CB -0.113 38.920 39.000 0.055 0.000 1.045 721 F HN 0.119 nan 8.300 nan 0.000 0.516 722 Q N -0.112 119.823 119.800 0.226 0.000 2.403 722 Q HA 0.057 4.398 4.340 0.001 0.000 0.203 722 Q C 1.452 177.541 176.000 0.148 0.000 0.932 722 Q CA 0.674 56.557 55.803 0.133 0.000 0.945 722 Q CB 0.263 29.011 28.738 0.016 0.000 1.045 722 Q HN 0.446 nan 8.270 nan 0.000 0.511 723 V N -4.057 115.975 119.914 0.197 0.000 3.166 723 V HA 0.199 4.319 4.120 0.001 0.000 0.332 723 V C 1.506 177.802 176.094 0.337 0.000 1.434 723 V CA -0.051 62.450 62.300 0.335 0.000 1.121 723 V CB -0.577 31.468 31.823 0.369 0.000 1.062 723 V HN 0.044 nan 8.190 nan 0.000 0.489 724 L N 0.457 121.804 121.223 0.206 0.000 2.043 724 L HA -0.067 4.274 4.340 0.001 0.000 0.212 724 L C 0.013 176.903 176.870 0.033 0.000 1.075 724 L CA 2.354 57.259 54.840 0.109 0.000 0.752 724 L CB -1.357 40.765 42.059 0.105 0.000 0.891 724 L HN 0.391 nan 8.230 nan 0.000 0.432 725 P HA -0.216 nan 4.420 nan 0.000 0.216 725 P C 1.046 178.361 177.300 0.026 0.000 1.150 725 P CA 1.273 64.396 63.100 0.039 0.000 0.837 725 P CB -0.083 31.672 31.700 0.091 0.000 0.786 726 W N 0.129 121.376 121.300 -0.089 0.000 2.407 726 W HA -0.054 4.606 4.660 0.001 0.000 0.305 726 W C 1.842 178.232 176.519 -0.216 0.000 1.196 726 W CA 1.102 58.344 57.345 -0.171 0.000 1.311 726 W CB -0.970 28.366 29.460 -0.206 0.000 1.135 726 W HN -0.239 nan 8.180 nan 0.000 0.514 727 L N 1.054 122.140 121.223 -0.229 0.000 2.017 727 L HA -0.241 4.099 4.340 0.001 0.000 0.208 727 L C 2.676 179.020 176.870 -0.876 0.000 1.073 727 L CA 2.075 56.569 54.840 -0.576 0.000 0.745 727 L CB -0.987 40.946 42.059 -0.211 0.000 0.894 727 L HN -0.032 nan 8.230 nan 0.000 0.432 728 K N 0.059 119.884 120.400 -0.959 0.000 2.097 728 K HA -0.258 4.062 4.320 0.001 0.000 0.206 728 K C 2.066 178.282 176.600 -0.639 0.000 1.049 728 K CA 1.674 57.245 56.287 -1.194 0.000 0.933 728 K CB 0.106 32.163 32.500 -0.738 0.000 0.717 728 K HN 0.135 nan 8.250 nan 0.000 0.442 729 E N 0.932 120.858 120.200 -0.457 0.000 2.046 729 E HA -0.130 4.221 4.350 0.001 0.000 0.190 729 E C 1.565 177.945 176.600 -0.368 0.000 0.982 729 E CA 1.483 57.693 56.400 -0.317 0.000 0.800 729 E CB 0.088 29.663 29.700 -0.208 0.000 0.756 729 E HN 0.068 nan 8.360 nan 0.000 0.449 730 K N 0.001 120.070 120.400 -0.553 0.000 2.217 730 K HA 0.041 4.361 4.320 0.001 0.000 0.202 730 K C 1.568 177.798 176.600 -0.616 0.000 1.051 730 K CA 0.755 56.680 56.287 -0.603 0.000 0.952 730 K CB -0.018 31.931 32.500 -0.919 0.000 0.736 730 K HN 0.290 nan 8.250 nan 0.000 0.453 731 L N 1.781 122.656 121.223 -0.579 0.000 2.769 731 L HA 0.101 4.441 4.340 0.001 0.000 0.240 731 L C 1.973 178.762 176.870 -0.135 0.000 1.163 731 L CA -0.153 54.455 54.840 -0.388 0.000 0.962 731 L CB -0.081 41.839 42.059 -0.232 0.000 1.258 731 L HN 0.143 nan 8.230 nan 0.000 0.513 732 Q N -0.560 119.135 119.800 -0.174 0.000 2.308 732 Q HA -0.205 4.135 4.340 0.001 0.000 0.209 732 Q C 0.268 176.273 176.000 0.008 0.000 0.985 732 Q CA 1.578 57.340 55.803 -0.067 0.000 0.881 732 Q CB -0.127 28.553 28.738 -0.096 0.000 0.917 732 Q HN 0.373 nan 8.270 nan 0.000 0.443 733 D N 0.263 120.671 120.400 0.014 0.000 2.402 733 D HA 0.037 4.677 4.640 0.001 0.000 0.216 733 D C 0.313 176.676 176.300 0.106 0.000 1.128 733 D CA 0.078 54.112 54.000 0.056 0.000 0.833 733 D CB 0.510 41.340 40.800 0.051 0.000 0.971 733 D HN 0.261 nan 8.370 nan 0.000 0.503 734 E N 0.575 120.846 120.200 0.119 0.000 2.444 734 E HA -0.008 4.343 4.350 0.001 0.000 0.191 734 E C -0.048 176.629 176.600 0.128 0.000 1.041 734 E CA -0.078 56.422 56.400 0.167 0.000 0.883 734 E CB 0.070 29.889 29.700 0.199 0.000 1.024 734 E HN 0.035 nan 8.360 nan 0.000 0.470 735 D N 0.358 120.817 120.400 0.099 0.000 2.697 735 D HA -0.202 4.439 4.640 0.001 0.000 0.238 735 D C 0.140 176.468 176.300 0.047 0.000 1.152 735 D CA 0.321 54.363 54.000 0.070 0.000 0.666 735 D CB -1.173 39.663 40.800 0.060 0.000 1.037 735 D HN 0.255 nan 8.370 nan 0.000 0.423 736 L N -0.450 120.793 121.223 0.032 0.000 2.590 736 L HA 0.298 4.638 4.340 0.001 0.000 0.227 736 L C 1.837 178.598 176.870 -0.182 0.000 1.099 736 L CA 0.295 55.074 54.840 -0.102 0.000 0.872 736 L CB 0.060 41.990 42.059 -0.214 0.000 1.088 736 L HN 0.420 nan 8.230 nan 0.000 0.479 737 G N 1.234 110.006 108.800 -0.046 0.000 2.350 737 G HA2 -0.303 3.657 3.960 0.001 0.000 0.298 737 G HA3 -0.303 3.657 3.960 0.001 0.000 0.298 737 G C -0.052 174.812 174.900 -0.060 0.000 1.037 737 G CA -0.246 44.838 45.100 -0.025 0.000 1.074 737 G HN 0.101 nan 8.290 nan 0.000 0.511 738 F N -0.698 119.236 119.950 -0.026 0.000 2.553 738 F HA 0.394 4.921 4.527 0.001 0.000 0.356 738 F C 1.747 177.539 175.800 -0.014 0.000 1.142 738 F CA -0.188 57.793 58.000 -0.031 0.000 1.322 738 F CB 0.435 39.407 39.000 -0.046 0.000 1.126 738 F HN 0.160 nan 8.300 nan 0.000 0.599 739 L N 0.000 121.321 121.223 0.164 0.000 2.949 739 L HA 0.000 4.340 4.340 0.001 0.000 0.249 739 L CA 0.000 54.904 54.840 0.106 0.000 0.813 739 L CB 0.000 42.107 42.059 0.080 0.000 0.961 739 L HN 0.000 nan 8.230 nan 0.000 0.502