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 3gvk_1_C DATA FIRST_RESID 245 DATA SEQUENCE SAKGDGVTDD TAALTSALND TPVGQKINGN GKTYKVTSLP DISRFINTRF DATA SEQUENCE VYERIPGQPL YYASEEFVQG ELFKITDTPY YNAWPQDKAF VYENVIYAPY DATA SEQUENCE MGSDRAGVSR LHVSWVKSGD DGQTWSTPEW LTDLHPDYPT VNYHCMSMGV DATA SEQUENCE CRNRLFAMIE TRTLAKNALT NCALWDRPMS RSLHLTGGIT KAANQRYATI DATA SEQUENCE HVPDHGLFVG DFVNFSNSAV TGVSGDMTVA TVIDKDNFTV LTPNQQTSDL DATA SEQUENCE NNAGKNWHMG TSFHKSPWRK TDLGLIPSVT EVHSFATIDN NGFAMGYHQG DATA SEQUENCE DVAPREVGLF YFPDAFNSPS NYVRRQIPSE YEPDASEPCI KYYDGVLYLI DATA SEQUENCE TRGTRGDRLG SSLHRSRDIG QTWESLRFPH NVHHTTLPFA KVGDDLIMFG DATA SEQUENCE SERAENEWEA GAPDDRYKAS YPRTFYARLN VNNWNADDIE WVNITDQIYQ DATA SEQUENCE GGIVNSGVGV GSVVVKDNYI YYMFGGEDHF NPWTYGDNSA KDPFKSDGHP DATA SEQUENCE SDLYCYKMKI GPDNRVSRDF RYGAVPNRAV PVFFDTNGVR TVPAPMEFTG DATA SEQUENCE DLGLGHVTIR ASTSSNIRSE VLMEGEYGFI GKSIPTDNPA GQRIIFCGGE DATA SEQUENCE GTSSTTGAQI TLYGANNTDS RRIVYNGDEH LFQSADVKPY NDNVTALGGP DATA SEQUENCE SNRFTTAYLG SNPIVT 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 245 S HA 0.000 nan 4.470 nan 0.000 0.327 245 S C 0.000 174.656 174.600 0.093 0.000 1.055 245 S CA 0.000 58.240 58.200 0.068 0.000 1.107 245 S CB 0.000 63.234 63.200 0.057 0.000 0.593 246 A N 3.465 126.367 122.820 0.137 0.000 2.440 246 A HA 0.541 4.863 4.320 0.003 0.000 0.251 246 A C 0.755 178.451 177.584 0.187 0.000 1.089 246 A CA 0.011 52.173 52.037 0.208 0.000 0.779 246 A CB 0.292 19.495 19.000 0.338 0.000 1.022 246 A HN 0.796 nan 8.150 nan 0.000 0.492 247 K N 1.646 122.122 120.400 0.127 0.000 2.186 247 K HA 0.227 4.549 4.320 0.003 0.000 0.202 247 K C 1.230 177.799 176.600 -0.052 0.000 1.052 247 K CA 1.115 57.428 56.287 0.043 0.000 0.965 247 K CB -0.084 32.430 32.500 0.023 0.000 0.746 247 K HN 1.537 nan 8.250 nan 0.000 0.457 248 G N 2.448 111.145 108.800 -0.171 0.000 2.338 248 G HA2 -0.251 3.711 3.960 0.003 0.000 0.296 248 G HA3 -0.251 3.711 3.960 0.003 0.000 0.296 248 G C -0.129 174.557 174.900 -0.357 0.000 1.040 248 G CA 0.757 45.467 45.100 -0.650 0.000 1.004 248 G HN 0.488 nan 8.290 nan 0.000 0.509 249 D N -1.811 118.475 120.400 -0.191 0.000 2.433 249 D HA 0.375 5.017 4.640 0.003 0.000 0.211 249 D C 1.797 178.056 176.300 -0.068 0.000 1.114 249 D CA 0.547 54.484 54.000 -0.104 0.000 0.837 249 D CB -0.292 40.476 40.800 -0.054 0.000 0.984 249 D HN 1.468 nan 8.370 nan 0.000 0.505 250 G N 0.137 108.894 108.800 -0.073 0.000 2.148 250 G HA2 -0.295 3.667 3.960 0.003 0.000 0.254 250 G HA3 -0.295 3.667 3.960 0.003 0.000 0.254 250 G C 0.893 175.801 174.900 0.013 0.000 0.981 250 G CA 1.040 46.135 45.100 -0.007 0.000 0.670 250 G HN 0.872 nan 8.290 nan 0.000 0.528 251 V N -4.563 115.353 119.914 0.004 0.000 3.177 251 V HA 0.396 4.517 4.120 0.003 0.000 0.220 251 V C 1.217 177.321 176.094 0.016 0.000 1.395 251 V CA 1.105 63.412 62.300 0.011 0.000 1.317 251 V CB -0.224 31.605 31.823 0.009 0.000 1.148 251 V HN 0.281 nan 8.190 nan 0.000 0.499 252 T N 3.229 117.792 114.554 0.015 0.000 2.888 252 T HA 0.206 4.558 4.350 0.003 0.000 0.301 252 T C -0.299 174.428 174.700 0.045 0.000 1.001 252 T CA 0.596 62.712 62.100 0.026 0.000 1.147 252 T CB 0.557 69.440 68.868 0.025 0.000 0.931 252 T HN 0.531 nan 8.240 nan 0.000 0.541 253 D N 2.223 122.649 120.400 0.044 0.000 2.363 253 D HA 0.031 4.673 4.640 0.003 0.000 0.263 253 D C 0.232 176.575 176.300 0.071 0.000 1.258 253 D CA -0.178 53.855 54.000 0.055 0.000 0.907 253 D CB 0.458 41.281 40.800 0.039 0.000 1.107 253 D HN 0.338 nan 8.370 nan 0.000 0.495 254 D N 2.566 123.029 120.400 0.104 0.000 2.402 254 D HA 0.017 4.659 4.640 0.003 0.000 0.216 254 D C 1.351 177.709 176.300 0.096 0.000 1.128 254 D CA 0.132 54.211 54.000 0.132 0.000 0.833 254 D CB 0.528 41.477 40.800 0.249 0.000 0.971 254 D HN 0.395 nan 8.370 nan 0.000 0.503 255 T N 0.544 115.132 114.554 0.057 0.000 2.652 255 T HA -0.198 4.153 4.350 0.003 0.000 0.267 255 T C 2.092 176.801 174.700 0.016 0.000 1.039 255 T CA 1.687 63.795 62.100 0.014 0.000 1.153 255 T CB -0.063 68.797 68.868 -0.013 0.000 0.863 255 T HN 0.237 nan 8.240 nan 0.000 0.428 256 A N 1.538 124.371 122.820 0.022 0.000 1.877 256 A HA 0.139 4.461 4.320 0.003 0.000 0.216 256 A C 2.689 180.291 177.584 0.030 0.000 1.186 256 A CA 1.969 54.017 52.037 0.019 0.000 0.620 256 A CB -1.230 17.780 19.000 0.018 0.000 0.822 256 A HN 0.528 nan 8.150 nan 0.000 0.443 257 A N -0.486 122.363 122.820 0.047 0.000 1.933 257 A HA -0.040 4.282 4.320 0.003 0.000 0.218 257 A C 2.139 179.760 177.584 0.062 0.000 1.175 257 A CA 1.557 53.629 52.037 0.058 0.000 0.628 257 A CB -0.545 18.503 19.000 0.080 0.000 0.814 257 A HN 0.478 nan 8.150 nan 0.000 0.444 258 L N -0.918 120.349 121.223 0.074 0.000 2.240 258 L HA -0.080 4.262 4.340 0.003 0.000 0.211 258 L C 2.610 179.535 176.870 0.092 0.000 1.106 258 L CA 1.329 56.232 54.840 0.105 0.000 0.793 258 L CB -0.555 41.581 42.059 0.129 0.000 0.927 258 L HN 0.340 nan 8.230 nan 0.000 0.446 259 T N -1.475 113.106 114.554 0.045 0.000 2.777 259 T HA -0.189 4.163 4.350 0.003 0.000 0.266 259 T C 2.122 176.827 174.700 0.008 0.000 1.040 259 T CA 1.686 63.796 62.100 0.017 0.000 1.141 259 T CB -0.129 68.737 68.868 -0.004 0.000 0.868 259 T HN 0.250 nan 8.240 nan 0.000 0.444 260 S N 0.977 116.684 115.700 0.012 0.000 2.382 260 S HA -0.032 4.440 4.470 0.003 0.000 0.228 260 S C 2.376 176.976 174.600 0.000 0.000 1.027 260 S CA 1.195 59.398 58.200 0.005 0.000 0.991 260 S CB -0.525 62.682 63.200 0.011 0.000 0.823 260 S HN 0.500 nan 8.310 nan 0.000 0.469 261 A N 1.427 124.253 122.820 0.010 0.000 1.883 261 A HA 0.019 4.340 4.320 0.003 0.000 0.217 261 A C 2.223 179.779 177.584 -0.046 0.000 1.186 261 A CA 1.505 53.539 52.037 -0.005 0.000 0.624 261 A CB -0.836 18.176 19.000 0.021 0.000 0.822 261 A HN 0.575 nan 8.150 nan 0.000 0.444 262 L N -0.345 120.848 121.223 -0.050 0.000 2.093 262 L HA -0.168 4.174 4.340 0.003 0.000 0.208 262 L C 2.155 178.984 176.870 -0.069 0.000 1.085 262 L CA 1.001 55.784 54.840 -0.095 0.000 0.755 262 L CB -0.523 41.489 42.059 -0.079 0.000 0.904 262 L HN 0.373 nan 8.230 nan 0.000 0.435 263 N N -0.095 118.580 118.700 -0.042 0.000 2.244 263 N HA -0.160 4.582 4.740 0.003 0.000 0.183 263 N C 1.189 176.679 175.510 -0.034 0.000 1.016 263 N CA 1.159 54.188 53.050 -0.035 0.000 0.866 263 N CB -0.243 38.229 38.487 -0.024 0.000 0.980 263 N HN 0.303 nan 8.380 nan 0.000 0.430 264 D N -0.262 120.118 120.400 -0.033 0.000 2.347 264 D HA 0.020 4.662 4.640 0.003 0.000 0.213 264 D C 0.026 176.302 176.300 -0.039 0.000 0.985 264 D CA 0.540 54.523 54.000 -0.029 0.000 0.879 264 D CB 0.009 40.797 40.800 -0.021 0.000 0.919 264 D HN 0.054 nan 8.370 nan 0.000 0.526 265 T N 2.518 117.038 114.554 -0.057 0.000 2.806 265 T HA 0.325 4.677 4.350 0.003 0.000 0.290 265 T C -2.380 172.281 174.700 -0.065 0.000 0.966 265 T CA -1.456 60.601 62.100 -0.071 0.000 1.060 265 T CB 1.801 70.601 68.868 -0.114 0.000 0.927 265 T HN -0.145 nan 8.240 nan 0.000 0.485 266 P HA 0.012 nan 4.420 nan 0.000 0.264 266 P C -0.403 176.866 177.300 -0.053 0.000 1.179 266 P CA -0.296 62.776 63.100 -0.046 0.000 0.763 266 P CB 0.251 31.928 31.700 -0.039 0.000 0.806 267 V N 3.147 123.034 119.914 -0.044 0.000 2.442 267 V HA 0.189 4.311 4.120 0.003 0.000 0.272 267 V C 1.620 177.688 176.094 -0.044 0.000 0.989 267 V CA 1.608 63.882 62.300 -0.044 0.000 1.123 267 V CB -1.068 30.734 31.823 -0.035 0.000 1.008 267 V HN 1.053 nan 8.190 nan 0.000 0.469 268 G N 3.568 112.335 108.800 -0.055 0.000 2.131 268 G HA2 -0.222 3.740 3.960 0.003 0.000 0.223 268 G HA3 -0.222 3.740 3.960 0.003 0.000 0.223 268 G C -0.034 174.833 174.900 -0.055 0.000 0.990 268 G CA 0.184 45.254 45.100 -0.050 0.000 0.671 268 G HN 0.862 nan 8.290 nan 0.000 0.521 269 Q N 0.623 120.381 119.800 -0.069 0.000 2.230 269 Q HA 0.657 4.999 4.340 0.003 0.000 0.248 269 Q C 0.033 175.968 176.000 -0.108 0.000 0.915 269 Q CA -0.576 55.184 55.803 -0.072 0.000 0.900 269 Q CB 0.715 29.415 28.738 -0.065 0.000 1.229 269 Q HN 0.069 nan 8.270 nan 0.000 0.439 270 K N 3.748 124.091 120.400 -0.093 0.000 2.156 270 K HA 0.392 4.713 4.320 0.003 0.000 0.271 270 K C -0.527 175.989 176.600 -0.141 0.000 0.995 270 K CA -0.374 55.841 56.287 -0.119 0.000 0.890 270 K CB 1.027 33.496 32.500 -0.050 0.000 1.073 270 K HN 0.710 nan 8.250 nan 0.000 0.454 271 I N 2.520 122.937 120.570 -0.255 0.000 2.342 271 I HA 0.054 4.225 4.170 0.003 0.000 0.291 271 I C 0.602 176.709 176.117 -0.017 0.000 1.010 271 I CA -0.531 60.648 61.300 -0.201 0.000 1.308 271 I CB 0.703 38.449 38.000 -0.423 0.000 1.400 271 I HN 0.352 nan 8.210 nan 0.000 0.488 272 N N 5.050 123.771 118.700 0.034 0.000 2.414 272 N HA 0.171 4.912 4.740 0.003 0.000 0.256 272 N C 0.756 176.349 175.510 0.139 0.000 1.029 272 N CA -0.062 53.045 53.050 0.094 0.000 0.948 272 N CB 1.830 40.358 38.487 0.069 0.000 1.102 272 N HN 0.794 nan 8.380 nan 0.000 0.496 273 G N 2.266 111.182 108.800 0.192 0.000 2.920 273 G HA2 -0.117 3.845 3.960 0.003 0.000 0.208 273 G HA3 -0.117 3.845 3.960 0.003 0.000 0.208 273 G C 0.487 175.573 174.900 0.309 0.000 1.159 273 G CA -0.262 44.998 45.100 0.266 0.000 0.784 273 G HN 0.803 nan 8.290 nan 0.000 0.535 274 N N -0.578 118.242 118.700 0.200 0.000 2.714 274 N HA -0.218 4.523 4.740 0.003 0.000 0.250 274 N C 1.520 177.111 175.510 0.135 0.000 1.117 274 N CA 1.575 54.710 53.050 0.142 0.000 0.719 274 N CB -1.391 37.167 38.487 0.119 0.000 1.081 274 N HN 1.015 nan 8.380 nan 0.000 0.557 275 G N -1.171 107.751 108.800 0.203 0.000 2.184 275 G HA2 -0.368 3.594 3.960 0.003 0.000 0.264 275 G HA3 -0.368 3.594 3.960 0.003 0.000 0.264 275 G C 0.175 175.271 174.900 0.327 0.000 0.975 275 G CA 1.007 46.240 45.100 0.221 0.000 0.642 275 G HN 0.541 nan 8.290 nan 0.000 0.536 276 K N 0.359 120.882 120.400 0.205 0.000 2.107 276 K HA 0.540 4.862 4.320 0.003 0.000 0.251 276 K C -0.001 176.523 176.600 -0.127 0.000 1.012 276 K CA 0.008 56.275 56.287 -0.034 0.000 0.920 276 K CB 0.684 33.009 32.500 -0.290 0.000 1.033 276 K HN 0.093 nan 8.250 nan 0.000 0.478 277 T N 1.716 116.104 114.554 -0.275 0.000 2.794 277 T HA 0.350 4.701 4.350 0.003 0.000 0.280 277 T C -1.036 173.437 174.700 -0.378 0.000 0.987 277 T CA -0.510 61.459 62.100 -0.219 0.000 0.993 277 T CB 0.194 69.043 68.868 -0.032 0.000 0.939 277 T HN 0.271 nan 8.240 nan 0.000 0.449 278 Y N 1.605 121.835 120.300 -0.117 0.000 2.328 278 Y HA 0.411 4.963 4.550 0.003 0.000 0.336 278 Y C 0.566 176.500 175.900 0.056 0.000 0.960 278 Y CA -1.099 56.985 58.100 -0.027 0.000 1.134 278 Y CB 1.347 39.782 38.460 -0.041 0.000 1.166 278 Y HN 0.361 nan 8.280 nan 0.000 0.464 279 K N 4.054 124.549 120.400 0.158 0.000 2.322 279 K HA 0.481 4.803 4.320 0.003 0.000 0.283 279 K C -0.863 175.818 176.600 0.135 0.000 1.042 279 K CA -0.201 56.157 56.287 0.118 0.000 0.958 279 K CB 0.506 33.044 32.500 0.063 0.000 0.984 279 K HN 0.639 nan 8.250 nan 0.000 0.473 280 V N 0.485 120.468 119.914 0.115 0.000 2.962 280 V HA 0.365 4.487 4.120 0.003 0.000 0.313 280 V C 0.619 176.760 176.094 0.078 0.000 1.099 280 V CA -0.605 61.721 62.300 0.042 0.000 0.971 280 V CB 1.460 33.223 31.823 -0.100 0.000 1.028 280 V HN 0.841 nan 8.190 nan 0.000 0.430 281 T N -1.416 113.156 114.554 0.029 0.000 3.065 281 T HA 0.328 4.679 4.350 0.003 0.000 0.252 281 T C 0.650 175.376 174.700 0.044 0.000 1.099 281 T CA 0.490 62.644 62.100 0.089 0.000 1.063 281 T CB -0.078 68.815 68.868 0.041 0.000 0.948 281 T HN 0.796 nan 8.240 nan 0.000 0.506 282 S N 0.218 115.782 115.700 -0.228 0.000 2.533 282 S HA 0.530 5.002 4.470 0.003 0.000 0.271 282 S C -0.909 173.248 174.600 -0.740 0.000 1.143 282 S CA -0.908 56.981 58.200 -0.518 0.000 0.891 282 S CB 1.581 64.610 63.200 -0.285 0.000 1.105 282 S HN 0.323 nan 8.310 nan 0.000 0.468 283 L N 4.253 124.860 121.223 -1.028 0.000 2.410 283 L HA 0.296 4.637 4.340 0.003 0.000 0.273 283 L C -1.475 175.000 176.870 -0.659 0.000 1.144 283 L CA -1.056 53.226 54.840 -0.931 0.000 0.863 283 L CB 0.008 41.504 42.059 -0.939 0.000 1.140 283 L HN 0.465 nan 8.230 nan 0.000 0.463 284 P HA 0.073 nan 4.420 nan 0.000 0.302 284 P C -0.834 176.304 177.300 -0.270 0.000 1.307 284 P CA -0.581 62.279 63.100 -0.401 0.000 0.754 284 P CB 0.486 31.992 31.700 -0.325 0.000 1.298 285 D N -0.169 120.195 120.400 -0.060 0.000 2.429 285 D HA 0.036 4.677 4.640 0.003 0.000 0.253 285 D C 1.246 177.637 176.300 0.153 0.000 1.294 285 D CA 0.093 54.094 54.000 0.001 0.000 1.063 285 D CB -0.815 39.985 40.800 0.001 0.000 1.096 285 D HN 0.165 nan 8.370 nan 0.000 0.516 286 I N 1.713 122.317 120.570 0.057 0.000 2.361 286 I HA -0.294 3.877 4.170 0.003 0.000 0.251 286 I C 2.319 178.606 176.117 0.283 0.000 1.133 286 I CA 1.019 62.438 61.300 0.197 0.000 1.413 286 I CB -0.247 37.792 38.000 0.065 0.000 1.073 286 I HN 0.353 nan 8.210 nan 0.000 0.424 287 S N 0.805 116.589 115.700 0.141 0.000 2.469 287 S HA -0.114 4.358 4.470 0.003 0.000 0.238 287 S C 1.843 176.493 174.600 0.083 0.000 0.998 287 S CA 0.648 58.906 58.200 0.097 0.000 0.957 287 S CB -0.360 62.861 63.200 0.034 0.000 0.764 287 S HN 0.459 nan 8.310 nan 0.000 0.514 288 R N -0.253 120.291 120.500 0.073 0.000 2.388 288 R HA 0.370 4.712 4.340 0.003 0.000 0.247 288 R C -0.973 175.165 176.300 -0.270 0.000 0.931 288 R CA -0.103 55.931 56.100 -0.110 0.000 1.082 288 R CB 0.083 30.257 30.300 -0.210 0.000 1.135 288 R HN 0.394 nan 8.270 nan 0.000 0.525 289 F N 0.873 120.858 119.950 0.057 0.000 2.522 289 F HA 0.476 5.005 4.527 0.003 0.000 0.324 289 F C 0.309 176.146 175.800 0.061 0.000 1.077 289 F CA -1.369 56.668 58.000 0.062 0.000 0.944 289 F CB 1.434 40.504 39.000 0.117 0.000 1.175 289 F HN -0.180 nan 8.300 nan 0.000 0.468 290 I N -0.568 120.138 120.570 0.226 0.000 2.785 290 I HA 0.597 4.769 4.170 0.003 0.000 0.302 290 I C 0.012 176.252 176.117 0.205 0.000 1.069 290 I CA -1.173 60.237 61.300 0.182 0.000 1.045 290 I CB 1.800 39.868 38.000 0.113 0.000 1.236 290 I HN 0.633 nan 8.210 nan 0.000 0.429 291 N N 1.632 120.468 118.700 0.226 0.000 2.727 291 N HA -0.168 4.574 4.740 0.003 0.000 0.249 291 N C -1.115 174.630 175.510 0.393 0.000 1.048 291 N CA 1.289 54.511 53.050 0.286 0.000 0.714 291 N CB -0.818 37.767 38.487 0.163 0.000 0.959 291 N HN 0.956 nan 8.380 nan 0.000 0.544 292 T N 0.408 115.133 114.554 0.285 0.000 2.886 292 T HA 0.473 4.825 4.350 0.003 0.000 0.292 292 T C -0.153 174.205 174.700 -0.570 0.000 1.012 292 T CA -0.730 61.323 62.100 -0.078 0.000 0.982 292 T CB 2.262 70.945 68.868 -0.310 0.000 1.018 292 T HN 0.302 nan 8.240 nan 0.000 0.451 293 R N 1.751 121.756 120.500 -0.824 0.000 2.599 293 R HA 0.663 5.005 4.340 0.003 0.000 0.295 293 R C -1.562 174.367 176.300 -0.619 0.000 0.963 293 R CA -0.684 54.875 56.100 -0.902 0.000 0.883 293 R CB 0.881 30.466 30.300 -1.193 0.000 1.171 293 R HN 0.472 nan 8.270 nan 0.000 0.450 294 F N 2.775 122.676 119.950 -0.080 0.000 2.443 294 F HA 0.422 4.951 4.527 0.003 0.000 0.335 294 F C -0.012 175.818 175.800 0.050 0.000 1.104 294 F CA -0.807 57.185 58.000 -0.014 0.000 1.013 294 F CB 1.954 40.893 39.000 -0.102 0.000 1.136 294 F HN 0.096 nan 8.300 nan 0.000 0.470 295 V N 5.209 125.213 119.914 0.150 0.000 2.398 295 V HA 0.575 4.697 4.120 0.003 0.000 0.286 295 V C -1.868 174.274 176.094 0.080 0.000 1.026 295 V CA -0.527 61.705 62.300 -0.113 0.000 0.868 295 V CB 1.286 32.874 31.823 -0.391 0.000 0.982 295 V HN 0.663 nan 8.190 nan 0.000 0.443 296 Y N 4.455 124.718 120.300 -0.061 0.000 2.479 296 Y HA 0.528 5.080 4.550 0.003 0.000 0.338 296 Y C -0.585 175.308 175.900 -0.012 0.000 1.055 296 Y CA -1.044 57.035 58.100 -0.036 0.000 1.023 296 Y CB 2.101 40.499 38.460 -0.102 0.000 1.287 296 Y HN 0.709 nan 8.280 nan 0.000 0.447 297 E N 6.126 125.986 120.200 -0.567 0.000 2.167 297 E HA 0.247 4.599 4.350 0.003 0.000 0.247 297 E C 0.689 176.757 176.600 -0.886 0.000 0.961 297 E CA -0.428 55.632 56.400 -0.567 0.000 0.797 297 E CB 1.016 30.552 29.700 -0.274 0.000 1.182 297 E HN 0.720 nan 8.360 nan 0.000 0.437 298 R N 2.610 122.493 120.500 -1.028 0.000 2.091 298 R HA -0.071 4.270 4.340 0.003 0.000 0.238 298 R C 0.462 176.609 176.300 -0.255 0.000 1.136 298 R CA 1.070 56.805 56.100 -0.608 0.000 0.959 298 R CB 0.324 30.494 30.300 -0.217 0.000 0.856 298 R HN 0.342 nan 8.270 nan 0.000 0.437 299 I N 2.397 122.840 120.570 -0.212 0.000 2.378 299 I HA 0.332 4.504 4.170 0.003 0.000 0.291 299 I C -2.322 173.702 176.117 -0.154 0.000 0.992 299 I CA -3.387 57.833 61.300 -0.134 0.000 1.154 299 I CB 1.160 39.106 38.000 -0.089 0.000 1.315 299 I HN -0.093 nan 8.210 nan 0.000 0.448 300 P HA 0.143 nan 4.420 nan 0.000 0.262 300 P C 0.907 178.152 177.300 -0.093 0.000 1.182 300 P CA 0.764 63.806 63.100 -0.097 0.000 0.761 300 P CB 0.554 32.219 31.700 -0.058 0.000 0.795 301 G N 2.311 111.055 108.800 -0.092 0.000 2.176 301 G HA2 -0.255 3.707 3.960 0.003 0.000 0.253 301 G HA3 -0.255 3.707 3.960 0.003 0.000 0.253 301 G C 0.037 174.832 174.900 -0.175 0.000 0.979 301 G CA -0.286 44.772 45.100 -0.069 0.000 0.641 301 G HN 0.601 nan 8.290 nan 0.000 0.530 302 Q N 0.985 120.625 119.800 -0.266 0.000 2.907 302 Q HA 0.285 4.627 4.340 0.003 0.000 0.262 302 Q C -2.712 173.137 176.000 -0.252 0.000 0.997 302 Q CA -1.753 53.788 55.803 -0.437 0.000 0.797 302 Q CB 2.324 30.788 28.738 -0.457 0.000 1.228 302 Q HN 0.347 nan 8.270 nan 0.000 0.466 303 P HA 0.095 nan 4.420 nan 0.000 0.271 303 P C -0.633 176.577 177.300 -0.150 0.000 1.220 303 P CA 0.265 63.258 63.100 -0.179 0.000 0.768 303 P CB 1.028 32.633 31.700 -0.160 0.000 0.848 304 L N 3.649 124.770 121.223 -0.169 0.000 2.323 304 L HA 0.511 4.852 4.340 0.003 0.000 0.265 304 L C -0.167 176.550 176.870 -0.254 0.000 1.012 304 L CA -1.183 53.584 54.840 -0.121 0.000 0.820 304 L CB 1.515 43.508 42.059 -0.109 0.000 1.334 304 L HN 0.314 nan 8.230 nan 0.000 0.427 305 Y N -0.062 120.129 120.300 -0.182 0.000 2.446 305 Y HA 0.535 5.087 4.550 0.003 0.000 0.338 305 Y C -1.050 174.633 175.900 -0.362 0.000 1.055 305 Y CA -0.548 57.479 58.100 -0.121 0.000 1.101 305 Y CB 1.661 40.049 38.460 -0.121 0.000 1.221 305 Y HN 0.244 nan 8.280 nan 0.000 0.460 306 Y N 0.913 121.296 120.300 0.139 0.000 2.331 306 Y HA 0.635 5.187 4.550 0.003 0.000 0.326 306 Y C -0.259 175.653 175.900 0.020 0.000 1.020 306 Y CA -1.223 56.929 58.100 0.086 0.000 1.136 306 Y CB 1.628 40.156 38.460 0.112 0.000 1.157 306 Y HN 0.681 nan 8.280 nan 0.000 0.444 307 A N 2.371 125.248 122.820 0.096 0.000 2.301 307 A HA 0.611 4.933 4.320 0.003 0.000 0.298 307 A C 0.301 177.960 177.584 0.124 0.000 1.185 307 A CA -0.475 51.576 52.037 0.022 0.000 0.830 307 A CB 0.305 19.388 19.000 0.138 0.000 1.112 307 A HN 0.749 nan 8.150 nan 0.000 0.508 308 S N 2.438 118.201 115.700 0.105 0.000 2.634 308 S HA 0.308 4.780 4.470 0.003 0.000 0.261 308 S C 0.094 174.818 174.600 0.205 0.000 1.271 308 S CA -0.577 57.735 58.200 0.186 0.000 0.985 308 S CB 0.357 63.686 63.200 0.215 0.000 0.968 308 S HN 0.677 nan 8.310 nan 0.000 0.568 309 E N 0.866 121.177 120.200 0.185 0.000 2.442 309 E HA 0.044 4.395 4.350 0.003 0.000 0.262 309 E C 0.602 177.308 176.600 0.176 0.000 1.004 309 E CA 0.626 57.124 56.400 0.164 0.000 0.928 309 E CB 0.179 29.950 29.700 0.119 0.000 0.937 309 E HN 0.845 nan 8.360 nan 0.000 0.446 310 E N 0.072 120.368 120.200 0.158 0.000 4.071 310 E HA -0.313 4.039 4.350 0.003 0.000 0.355 310 E C 0.843 177.529 176.600 0.145 0.000 0.653 310 E CA 0.846 57.323 56.400 0.127 0.000 1.298 310 E CB -1.409 28.349 29.700 0.096 0.000 1.712 310 E HN 0.557 nan 8.360 nan 0.000 0.416 311 F N 1.599 121.595 119.950 0.077 0.000 2.134 311 F HA -0.080 4.449 4.527 0.003 0.000 0.299 311 F C 1.240 177.083 175.800 0.072 0.000 1.097 311 F CA 1.502 59.543 58.000 0.067 0.000 1.264 311 F CB 0.398 39.436 39.000 0.063 0.000 1.001 311 F HN -0.047 nan 8.300 nan 0.000 0.479 312 V N -0.548 119.468 119.914 0.170 0.000 2.630 312 V HA 0.396 4.518 4.120 0.003 0.000 0.305 312 V C -0.444 175.695 176.094 0.076 0.000 1.046 312 V CA -0.967 61.376 62.300 0.072 0.000 0.934 312 V CB 1.427 33.350 31.823 0.166 0.000 1.003 312 V HN 0.109 nan 8.190 nan 0.000 0.451 313 Q N 2.403 122.218 119.800 0.024 0.000 2.452 313 Q HA 0.603 4.945 4.340 0.003 0.000 0.230 313 Q C 0.271 176.311 176.000 0.067 0.000 1.180 313 Q CA 0.375 56.201 55.803 0.038 0.000 0.914 313 Q CB 0.905 29.648 28.738 0.007 0.000 1.408 313 Q HN 1.141 nan 8.270 nan 0.000 0.520 314 G N 1.724 110.564 108.800 0.066 0.000 2.623 314 G HA2 0.517 4.478 3.960 0.003 0.000 0.290 314 G HA3 0.517 4.478 3.960 0.003 0.000 0.290 314 G C -1.801 172.970 174.900 -0.215 0.000 1.437 314 G CA -0.453 44.606 45.100 -0.068 0.000 0.798 314 G HN 0.393 nan 8.290 nan 0.000 0.488 315 E N -0.733 119.104 120.200 -0.604 0.000 2.363 315 E HA 0.457 4.809 4.350 0.003 0.000 0.281 315 E C -1.858 174.435 176.600 -0.510 0.000 0.953 315 E CA -0.773 55.373 56.400 -0.423 0.000 0.778 315 E CB 2.598 32.124 29.700 -0.291 0.000 1.220 315 E HN 0.460 nan 8.360 nan 0.000 0.431 316 L N 3.902 124.997 121.223 -0.214 0.000 2.334 316 L HA 0.591 4.932 4.340 0.003 0.000 0.277 316 L C -1.566 175.221 176.870 -0.138 0.000 1.075 316 L CA 0.138 55.015 54.840 0.061 0.000 0.804 316 L CB 0.590 42.797 42.059 0.245 0.000 1.174 316 L HN 0.485 nan 8.230 nan 0.000 0.438 317 F N 3.289 123.291 119.950 0.086 0.000 2.532 317 F HA 0.482 5.011 4.527 0.003 0.000 0.321 317 F C -0.039 175.748 175.800 -0.021 0.000 1.089 317 F CA -0.781 57.239 58.000 0.033 0.000 0.926 317 F CB 1.670 40.696 39.000 0.044 0.000 1.168 317 F HN 0.327 nan 8.300 nan 0.000 0.459 318 K N 3.554 123.978 120.400 0.040 0.000 2.227 318 K HA 0.450 4.772 4.320 0.003 0.000 0.280 318 K C 0.413 176.776 176.600 -0.396 0.000 1.041 318 K CA -0.249 55.807 56.287 -0.384 0.000 0.905 318 K CB 0.737 33.022 32.500 -0.358 0.000 1.068 318 K HN 0.829 nan 8.250 nan 0.000 0.470 319 I N 0.001 120.176 120.570 -0.657 0.000 4.456 319 I HA 0.170 4.342 4.170 0.003 0.000 0.329 319 I C 0.082 175.879 176.117 -0.533 0.000 1.313 319 I CA -0.368 60.489 61.300 -0.739 0.000 1.205 319 I CB 0.986 38.098 38.000 -1.481 0.000 1.179 319 I HN 0.460 nan 8.210 nan 0.000 0.419 320 T N -1.810 112.425 114.554 -0.533 0.000 2.907 320 T HA 0.573 4.925 4.350 0.003 0.000 0.292 320 T C -1.002 173.516 174.700 -0.303 0.000 1.043 320 T CA -0.439 61.445 62.100 -0.361 0.000 1.003 320 T CB 2.525 71.147 68.868 -0.410 0.000 1.084 320 T HN 0.127 nan 8.240 nan 0.000 0.483 321 D N 0.964 121.269 120.400 -0.159 0.000 2.668 321 D HA 0.330 4.972 4.640 0.003 0.000 0.247 321 D C -1.115 175.175 176.300 -0.016 0.000 1.268 321 D CA -0.066 53.872 54.000 -0.103 0.000 0.842 321 D CB 0.728 41.475 40.800 -0.088 0.000 1.399 321 D HN 0.643 nan 8.370 nan 0.000 0.530 322 T N 1.544 116.108 114.554 0.016 0.000 2.893 322 T HA 0.427 4.779 4.350 0.003 0.000 0.291 322 T C -1.980 172.772 174.700 0.087 0.000 1.028 322 T CA -1.445 60.725 62.100 0.116 0.000 0.995 322 T CB 2.335 71.346 68.868 0.238 0.000 1.051 322 T HN -0.080 nan 8.240 nan 0.000 0.470 323 P HA 0.062 nan 4.420 nan 0.000 0.233 323 P C -0.180 177.038 177.300 -0.136 0.000 1.167 323 P CA 0.517 63.541 63.100 -0.128 0.000 0.770 323 P CB -0.059 31.473 31.700 -0.280 0.000 0.837 324 Y N -1.310 119.037 120.300 0.077 0.000 2.330 324 Y HA 0.055 4.608 4.550 0.004 0.000 0.341 324 Y C 0.924 176.961 175.900 0.228 0.000 1.278 324 Y CA -0.312 57.901 58.100 0.188 0.000 1.453 324 Y CB -0.222 38.392 38.460 0.256 0.000 1.342 324 Y HN -0.096 nan 8.280 nan 0.000 0.590 325 Y N 2.849 123.314 120.300 0.275 0.000 2.640 325 Y HA 0.117 4.668 4.550 0.002 0.000 0.355 325 Y C -0.575 175.419 175.900 0.156 0.000 1.088 325 Y CA -0.361 57.802 58.100 0.104 0.000 1.443 325 Y CB -0.594 37.835 38.460 -0.052 0.000 1.224 325 Y HN 0.543 nan 8.280 nan 0.000 0.516 326 N N 5.115 123.940 118.700 0.209 0.000 2.485 326 N HA 0.652 5.394 4.740 0.003 0.000 0.243 326 N C -0.923 174.540 175.510 -0.079 0.000 0.987 326 N CA -0.323 52.828 53.050 0.168 0.000 0.940 326 N CB 1.276 39.745 38.487 -0.030 0.000 1.122 326 N HN 0.601 nan 8.380 nan 0.000 0.509 327 A N 1.388 124.185 122.820 -0.038 0.000 2.524 327 A HA 0.563 4.885 4.320 0.003 0.000 0.303 327 A C -1.337 176.240 177.584 -0.011 0.000 1.195 327 A CA -0.760 51.026 52.037 -0.419 0.000 0.651 327 A CB 0.707 18.981 19.000 -1.210 0.000 1.323 327 A HN 0.685 nan 8.150 nan 0.000 0.479 328 W N -2.450 118.973 121.300 0.204 0.000 5.820 328 W HA -0.107 4.554 4.660 0.002 0.000 0.415 328 W C -2.314 174.323 176.519 0.197 0.000 1.627 328 W CA 0.196 57.658 57.345 0.195 0.000 0.991 328 W CB -2.213 27.343 29.460 0.160 0.000 2.842 328 W HN 0.534 nan 8.180 nan 0.000 1.416 329 P HA -0.173 nan 4.420 nan 0.000 0.222 329 P C 1.099 178.562 177.300 0.271 0.000 1.147 329 P CA 1.690 64.952 63.100 0.271 0.000 0.790 329 P CB 0.143 31.944 31.700 0.168 0.000 0.780 330 Q N 0.962 120.956 119.800 0.323 0.000 2.308 330 Q HA -0.046 4.296 4.340 0.003 0.000 0.313 330 Q C -0.431 175.668 176.000 0.164 0.000 1.075 330 Q CA 0.375 56.371 55.803 0.322 0.000 0.995 330 Q CB -0.279 28.787 28.738 0.546 0.000 1.107 330 Q HN -0.040 nan 8.270 nan 0.000 0.380 331 D N 2.648 122.999 120.400 -0.082 0.000 2.432 331 D HA 0.225 4.866 4.640 0.003 0.000 0.265 331 D C -0.526 175.816 176.300 0.069 0.000 1.160 331 D CA -0.538 53.451 54.000 -0.018 0.000 0.911 331 D CB 0.608 41.290 40.800 -0.198 0.000 1.052 331 D HN 0.640 nan 8.370 nan 0.000 0.508 332 K N 0.822 121.314 120.400 0.152 0.000 2.440 332 K HA 0.363 4.685 4.320 0.003 0.000 0.207 332 K C 0.557 177.328 176.600 0.285 0.000 1.112 332 K CA -0.401 56.002 56.287 0.193 0.000 1.036 332 K CB 1.264 33.885 32.500 0.201 0.000 0.935 332 K HN 0.304 nan 8.250 nan 0.000 0.564 333 A N 1.832 124.793 122.820 0.235 0.000 2.445 333 A HA 0.448 4.770 4.320 0.003 0.000 0.242 333 A C -0.161 177.584 177.584 0.268 0.000 1.075 333 A CA 0.158 52.305 52.037 0.183 0.000 0.777 333 A CB -0.324 18.761 19.000 0.141 0.000 1.013 333 A HN 0.293 nan 8.150 nan 0.000 0.493 334 F N -0.820 119.179 119.950 0.083 0.000 2.713 334 F HA 0.653 5.182 4.527 0.003 0.000 0.311 334 F C -1.173 174.690 175.800 0.105 0.000 1.141 334 F CA -1.334 56.700 58.000 0.057 0.000 0.939 334 F CB 1.141 40.116 39.000 -0.042 0.000 1.325 334 F HN 0.311 nan 8.300 nan 0.000 0.453 335 V N 2.167 122.249 119.914 0.281 0.000 2.417 335 V HA 0.438 4.559 4.120 0.003 0.000 0.291 335 V C -1.608 174.713 176.094 0.379 0.000 1.024 335 V CA -0.652 61.769 62.300 0.201 0.000 0.861 335 V CB 1.345 33.225 31.823 0.094 0.000 0.985 335 V HN 0.783 nan 8.190 nan 0.000 0.436 336 Y N 2.680 123.124 120.300 0.240 0.000 2.346 336 Y HA 0.400 4.952 4.550 0.003 0.000 0.332 336 Y C 0.488 176.464 175.900 0.126 0.000 0.985 336 Y CA -0.827 57.390 58.100 0.195 0.000 1.112 336 Y CB 1.375 39.950 38.460 0.191 0.000 1.170 336 Y HN 0.867 nan 8.280 nan 0.000 0.447 337 E N 5.200 125.142 120.200 -0.430 0.000 2.197 337 E HA -0.401 3.950 4.350 0.003 0.000 0.184 337 E C 0.009 176.533 176.600 -0.127 0.000 1.439 337 E CA 1.275 57.479 56.400 -0.326 0.000 0.688 337 E CB -1.064 28.368 29.700 -0.447 0.000 1.090 337 E HN 0.989 nan 8.360 nan 0.000 0.341 338 N N -2.946 115.696 118.700 -0.097 0.000 2.965 338 N HA -0.193 4.549 4.740 0.003 0.000 0.232 338 N C -0.615 174.803 175.510 -0.153 0.000 0.913 338 N CA 0.963 53.953 53.050 -0.100 0.000 0.981 338 N CB -0.465 37.968 38.487 -0.091 0.000 1.077 338 N HN 0.156 nan 8.380 nan 0.000 0.589 339 V N 1.702 121.531 119.914 -0.141 0.000 2.435 339 V HA 0.466 4.588 4.120 0.003 0.000 0.290 339 V C 0.388 176.267 176.094 -0.359 0.000 1.030 339 V CA -0.598 61.513 62.300 -0.315 0.000 0.881 339 V CB 1.657 33.247 31.823 -0.387 0.000 0.983 339 V HN 0.101 nan 8.190 nan 0.000 0.445 340 I N 5.056 125.290 120.570 -0.559 0.000 2.325 340 I HA 0.348 4.519 4.170 0.003 0.000 0.291 340 I C -0.918 174.822 176.117 -0.628 0.000 1.019 340 I CA -0.268 60.726 61.300 -0.511 0.000 1.302 340 I CB 0.603 38.237 38.000 -0.610 0.000 1.401 340 I HN 0.510 nan 8.210 nan 0.000 0.485 341 Y N 4.609 124.542 120.300 -0.612 0.000 2.331 341 Y HA 0.562 5.114 4.550 0.003 0.000 0.338 341 Y C 0.379 176.053 175.900 -0.377 0.000 0.992 341 Y CA -0.770 56.875 58.100 -0.758 0.000 1.121 341 Y CB 1.843 39.322 38.460 -1.635 0.000 1.184 341 Y HN 0.600 nan 8.280 nan 0.000 0.469 342 A N 6.279 129.115 122.820 0.027 0.000 2.786 342 A HA 0.548 4.869 4.320 0.003 0.000 0.346 342 A C -2.921 174.857 177.584 0.323 0.000 1.265 342 A CA -1.760 50.352 52.037 0.126 0.000 0.858 342 A CB -0.233 18.764 19.000 -0.004 0.000 1.118 342 A HN 0.368 nan 8.150 nan 0.000 0.482 343 P HA 0.537 nan 4.420 nan 0.000 0.277 343 P C -0.709 176.854 177.300 0.439 0.000 1.240 343 P CA 0.083 63.464 63.100 0.469 0.000 0.798 343 P CB 0.453 32.423 31.700 0.450 0.000 0.979 344 Y N -1.794 118.628 120.300 0.204 0.000 2.914 344 Y HA 0.699 5.250 4.550 0.003 0.000 0.327 344 Y C -1.568 174.444 175.900 0.186 0.000 1.440 344 Y CA -1.388 56.825 58.100 0.189 0.000 1.086 344 Y CB 0.834 39.384 38.460 0.152 0.000 1.544 344 Y HN 0.066 nan 8.280 nan 0.000 0.442 345 M N 1.633 121.451 119.600 0.365 0.000 2.253 345 M HA 0.560 5.042 4.480 0.003 0.000 0.314 345 M C -0.524 176.040 176.300 0.440 0.000 1.019 345 M CA -0.775 54.655 55.300 0.216 0.000 0.932 345 M CB 2.357 35.070 32.600 0.189 0.000 1.606 345 M HN 0.929 nan 8.290 nan 0.000 0.430 346 G N 1.750 110.652 108.800 0.170 0.000 2.415 346 G HA2 0.604 4.565 3.960 0.003 0.000 0.317 346 G HA3 0.604 4.565 3.960 0.003 0.000 0.317 346 G C -0.319 174.643 174.900 0.104 0.000 1.152 346 G CA -0.276 44.984 45.100 0.265 0.000 0.956 346 G HN 0.771 nan 8.290 nan 0.000 0.458 347 S N 0.754 116.641 115.700 0.312 0.000 3.081 347 S HA 0.644 5.116 4.470 0.003 0.000 0.316 347 S C 0.244 175.023 174.600 0.299 0.000 1.089 347 S CA 0.065 58.396 58.200 0.218 0.000 0.897 347 S CB 1.900 65.164 63.200 0.107 0.000 1.358 347 S HN 0.421 nan 8.310 nan 0.000 0.678 348 D N -0.740 119.716 120.400 0.093 0.000 2.500 348 D HA 0.246 4.888 4.640 0.003 0.000 0.217 348 D C 0.495 176.600 176.300 -0.325 0.000 1.159 348 D CA -0.256 53.668 54.000 -0.127 0.000 0.828 348 D CB 0.107 40.970 40.800 0.106 0.000 1.039 348 D HN 0.783 nan 8.370 nan 0.000 0.512 349 R N -1.620 118.726 120.500 -0.257 0.000 2.764 349 R HA 0.639 4.980 4.340 0.003 0.000 0.276 349 R C -1.449 174.583 176.300 -0.447 0.000 1.021 349 R CA -0.843 55.052 56.100 -0.342 0.000 0.870 349 R CB 0.222 30.443 30.300 -0.133 0.000 1.293 349 R HN -0.152 nan 8.270 nan 0.000 0.469 350 A N 0.707 123.337 122.820 -0.317 0.000 2.981 350 A HA 0.550 4.872 4.320 0.003 0.000 0.280 350 A C 0.346 177.810 177.584 -0.200 0.000 1.797 350 A CA 0.845 52.801 52.037 -0.134 0.000 1.456 350 A CB -1.188 17.845 19.000 0.055 0.000 1.057 350 A HN 1.061 nan 8.150 nan 0.000 0.602 351 G N -1.195 107.429 108.800 -0.292 0.000 2.321 351 G HA2 0.409 4.371 3.960 0.003 0.000 0.296 351 G HA3 0.409 4.371 3.960 0.003 0.000 0.296 351 G C 0.146 174.914 174.900 -0.219 0.000 1.287 351 G CA 0.165 45.123 45.100 -0.237 0.000 0.846 351 G HN 1.193 nan 8.290 nan 0.000 0.508 352 V N -1.234 118.583 119.914 -0.162 0.000 3.621 352 V HA 0.400 4.522 4.120 0.003 0.000 0.285 352 V C 1.047 177.120 176.094 -0.035 0.000 1.346 352 V CA 0.809 63.042 62.300 -0.112 0.000 1.104 352 V CB -0.330 31.422 31.823 -0.119 0.000 0.913 352 V HN 1.246 nan 8.190 nan 0.000 0.432 353 S N 0.902 116.588 115.700 -0.023 0.000 2.549 353 S HA 0.430 4.901 4.470 0.003 0.000 0.283 353 S C 0.781 175.450 174.600 0.115 0.000 1.320 353 S CA -0.016 58.235 58.200 0.085 0.000 1.058 353 S CB 0.471 63.693 63.200 0.036 0.000 0.882 353 S HN 0.646 nan 8.310 nan 0.000 0.498 354 R N -1.092 119.524 120.500 0.193 0.000 3.946 354 R HA -0.186 4.156 4.340 0.003 0.000 0.329 354 R C -0.245 175.952 176.300 -0.171 0.000 1.209 354 R CA 0.764 56.883 56.100 0.031 0.000 0.909 354 R CB -1.958 28.475 30.300 0.223 0.000 1.355 354 R HN 0.762 nan 8.270 nan 0.000 0.539 355 L N 1.336 122.426 121.223 -0.221 0.000 2.331 355 L HA 0.209 4.551 4.340 0.003 0.000 0.278 355 L C -0.065 176.458 176.870 -0.579 0.000 1.106 355 L CA -0.160 54.514 54.840 -0.277 0.000 0.824 355 L CB 0.501 42.472 42.059 -0.147 0.000 1.142 355 L HN 0.053 nan 8.230 nan 0.000 0.443 356 H N 2.778 121.589 119.070 -0.431 0.000 2.547 356 H HA 0.343 4.900 4.556 0.003 0.000 0.342 356 H C -0.638 174.490 175.328 -0.334 0.000 1.048 356 H CA -0.705 55.044 56.048 -0.498 0.000 1.204 356 H CB 1.805 30.944 29.762 -1.038 0.000 1.493 356 H HN 0.327 nan 8.280 nan 0.000 0.511 357 V N 3.651 123.472 119.914 -0.156 0.000 2.529 357 V HA 0.125 4.247 4.120 0.003 0.000 0.292 357 V C 0.141 176.118 176.094 -0.194 0.000 1.028 357 V CA 0.496 62.685 62.300 -0.185 0.000 1.074 357 V CB 0.242 31.943 31.823 -0.203 0.000 0.958 357 V HN 0.814 nan 8.190 nan 0.000 0.481 358 S N 3.753 119.244 115.700 -0.348 0.000 2.667 358 S HA 0.863 5.335 4.470 0.003 0.000 0.292 358 S C -1.158 173.295 174.600 -0.246 0.000 1.126 358 S CA -0.698 57.275 58.200 -0.378 0.000 0.881 358 S CB 2.183 65.012 63.200 -0.619 0.000 1.132 358 S HN 0.876 nan 8.310 nan 0.000 0.492 359 W N 0.349 121.635 121.300 -0.024 0.000 3.167 359 W HA 0.763 5.425 4.660 0.003 0.000 0.324 359 W C -1.517 175.159 176.519 0.261 0.000 1.230 359 W CA -1.532 55.920 57.345 0.179 0.000 1.184 359 W CB -0.358 29.208 29.460 0.176 0.000 1.414 359 W HN 0.611 nan 8.180 nan 0.000 0.551 360 V N 0.088 120.341 119.914 0.565 0.000 2.919 360 V HA 0.832 4.953 4.120 0.003 0.000 0.316 360 V C -0.477 175.704 176.094 0.145 0.000 1.077 360 V CA -1.575 60.921 62.300 0.326 0.000 0.977 360 V CB 1.614 33.585 31.823 0.246 0.000 1.039 360 V HN 0.636 nan 8.190 nan 0.000 0.441 361 K N 1.289 121.685 120.400 -0.006 0.000 2.435 361 K HA 0.724 5.046 4.320 0.003 0.000 0.251 361 K C -0.987 175.314 176.600 -0.498 0.000 0.954 361 K CA -0.563 55.482 56.287 -0.402 0.000 0.820 361 K CB 2.196 34.209 32.500 -0.811 0.000 1.292 361 K HN 0.736 nan 8.250 nan 0.000 0.436 362 S N -0.046 115.062 115.700 -0.987 0.000 2.478 362 S HA 0.474 4.946 4.470 0.003 0.000 0.312 362 S C 0.277 174.412 174.600 -0.774 0.000 1.094 362 S CA -0.588 56.888 58.200 -1.206 0.000 1.081 362 S CB 1.029 62.958 63.200 -2.118 0.000 1.007 362 S HN 0.795 nan 8.310 nan 0.000 0.475 363 G N 2.142 110.614 108.800 -0.547 0.000 3.337 363 G HA2 0.200 4.162 3.960 0.003 0.000 0.246 363 G HA3 0.200 4.162 3.960 0.003 0.000 0.246 363 G C -0.066 174.661 174.900 -0.287 0.000 1.131 363 G CA -0.203 44.676 45.100 -0.368 0.000 0.773 363 G HN 0.777 nan 8.290 nan 0.000 0.544 364 D N -0.988 119.203 120.400 -0.348 0.000 2.837 364 D HA 0.143 4.785 4.640 0.003 0.000 0.340 364 D C -0.162 175.960 176.300 -0.297 0.000 1.451 364 D CA -0.764 53.102 54.000 -0.223 0.000 0.798 364 D CB -0.312 40.455 40.800 -0.054 0.000 1.169 364 D HN -0.055 nan 8.370 nan 0.000 0.449 365 D N 0.323 120.505 120.400 -0.363 0.000 2.772 365 D HA -0.113 4.529 4.640 0.003 0.000 0.233 365 D C 1.348 177.431 176.300 -0.361 0.000 1.143 365 D CA 1.703 55.509 54.000 -0.323 0.000 0.700 365 D CB -1.456 39.235 40.800 -0.183 0.000 1.076 365 D HN 0.789 nan 8.370 nan 0.000 0.430 366 G N -0.812 107.608 108.800 -0.634 0.000 2.176 366 G HA2 -0.391 3.571 3.960 0.003 0.000 0.232 366 G HA3 -0.391 3.571 3.960 0.003 0.000 0.232 366 G C 0.956 175.380 174.900 -0.794 0.000 0.986 366 G CA 0.613 45.327 45.100 -0.643 0.000 0.643 366 G HN 0.469 nan 8.290 nan 0.000 0.522 367 Q N -0.059 119.353 119.800 -0.647 0.000 2.083 367 Q HA 0.093 4.435 4.340 0.003 0.000 0.198 367 Q C 1.470 177.348 176.000 -0.203 0.000 0.969 367 Q CA 1.653 57.176 55.803 -0.466 0.000 0.838 367 Q CB 0.058 28.487 28.738 -0.515 0.000 0.900 367 Q HN 0.828 nan 8.270 nan 0.000 0.436 368 T N -3.034 111.352 114.554 -0.280 0.000 2.896 368 T HA 0.533 4.885 4.350 0.003 0.000 0.297 368 T C -1.529 172.915 174.700 -0.427 0.000 1.108 368 T CA -0.904 61.121 62.100 -0.125 0.000 1.004 368 T CB 1.387 70.262 68.868 0.012 0.000 1.159 368 T HN 0.157 nan 8.240 nan 0.000 0.499 369 W N 0.797 121.994 121.300 -0.170 0.000 2.962 369 W HA 0.664 5.326 4.660 0.003 0.000 0.341 369 W C 0.447 176.884 176.519 -0.138 0.000 1.155 369 W CA -0.726 56.513 57.345 -0.177 0.000 1.165 369 W CB 1.853 31.200 29.460 -0.188 0.000 1.435 369 W HN 1.002 nan 8.180 nan 0.000 0.546 370 S N -0.458 115.294 115.700 0.087 0.000 2.645 370 S HA 0.482 4.953 4.470 0.003 0.000 0.266 370 S C 0.034 174.675 174.600 0.069 0.000 1.258 370 S CA -0.644 57.575 58.200 0.031 0.000 0.990 370 S CB 0.558 63.746 63.200 -0.020 0.000 0.967 370 S HN 0.347 nan 8.310 nan 0.000 0.556 371 T N 3.560 118.138 114.554 0.040 0.000 2.888 371 T HA 0.281 4.633 4.350 0.003 0.000 0.301 371 T C -2.345 172.400 174.700 0.075 0.000 1.001 371 T CA -0.394 61.727 62.100 0.035 0.000 1.147 371 T CB -0.200 68.663 68.868 -0.009 0.000 0.931 371 T HN 0.505 nan 8.240 nan 0.000 0.541 372 P HA 0.113 nan 4.420 nan 0.000 0.265 372 P C -0.270 177.051 177.300 0.034 0.000 1.193 372 P CA -0.001 63.200 63.100 0.169 0.000 0.765 372 P CB 0.466 32.302 31.700 0.226 0.000 0.823 373 E N 2.688 122.954 120.200 0.111 0.000 2.171 373 E HA 0.211 4.563 4.350 0.003 0.000 0.271 373 E C -0.962 175.634 176.600 -0.006 0.000 0.916 373 E CA -0.772 55.623 56.400 -0.007 0.000 0.774 373 E CB 0.647 30.412 29.700 0.108 0.000 1.128 373 E HN 0.280 nan 8.360 nan 0.000 0.403 374 W N 5.741 126.956 121.300 -0.141 0.000 2.345 374 W HA 0.195 4.856 4.660 0.002 0.000 0.308 374 W C 0.644 177.087 176.519 -0.127 0.000 1.273 374 W CA -0.570 56.667 57.345 -0.180 0.000 1.243 374 W CB 0.354 29.657 29.460 -0.262 0.000 1.260 374 W HN 0.692 nan 8.180 nan 0.000 0.509 375 L N 2.292 123.549 121.223 0.056 0.000 2.354 375 L HA 0.048 4.390 4.340 0.003 0.000 0.212 375 L C 1.236 178.219 176.870 0.189 0.000 1.091 375 L CA 0.809 55.689 54.840 0.067 0.000 0.828 375 L CB -0.378 41.608 42.059 -0.121 0.000 0.973 375 L HN 0.300 nan 8.230 nan 0.000 0.461 376 T N -3.947 110.659 114.554 0.087 0.000 2.887 376 T HA 0.414 4.766 4.350 0.003 0.000 0.288 376 T C -0.538 174.273 174.700 0.185 0.000 1.021 376 T CA -0.948 61.182 62.100 0.051 0.000 1.000 376 T CB 2.517 71.263 68.868 -0.204 0.000 1.034 376 T HN -0.178 nan 8.240 nan 0.000 0.467 377 D N 0.952 121.475 120.400 0.205 0.000 2.423 377 D HA 0.334 4.976 4.640 0.003 0.000 0.255 377 D C 0.475 176.830 176.300 0.092 0.000 1.174 377 D CA -0.505 53.612 54.000 0.195 0.000 1.008 377 D CB 1.002 41.908 40.800 0.176 0.000 1.101 377 D HN 0.505 nan 8.370 nan 0.000 0.516 378 L N 1.372 122.527 121.223 -0.114 0.000 2.490 378 L HA -0.018 4.324 4.340 0.003 0.000 0.274 378 L C 1.268 178.127 176.870 -0.018 0.000 1.201 378 L CA 0.081 54.776 54.840 -0.241 0.000 0.869 378 L CB 0.094 41.842 42.059 -0.520 0.000 1.123 378 L HN 0.335 nan 8.230 nan 0.000 0.484 379 H N 5.593 124.531 119.070 -0.219 0.000 3.038 379 H HA -0.028 4.530 4.556 0.003 0.000 0.338 379 H C -1.692 173.598 175.328 -0.062 0.000 1.041 379 H CA -0.901 54.950 56.048 -0.328 0.000 1.394 379 H CB 1.304 30.691 29.762 -0.626 0.000 1.357 379 H HN 0.376 nan 8.280 nan 0.000 0.600 380 P HA -0.123 nan 4.420 nan 0.000 0.218 380 P C 0.293 177.683 177.300 0.149 0.000 1.146 380 P CA 1.381 64.478 63.100 -0.004 0.000 0.813 380 P CB 0.300 31.945 31.700 -0.092 0.000 0.778 381 D N -2.886 117.746 120.400 0.387 0.000 2.388 381 D HA 0.029 4.670 4.640 0.003 0.000 0.221 381 D C 0.186 176.541 176.300 0.092 0.000 1.133 381 D CA -0.343 53.781 54.000 0.207 0.000 0.831 381 D CB -0.653 40.231 40.800 0.141 0.000 0.962 381 D HN 0.204 nan 8.370 nan 0.000 0.502 382 Y N 2.847 123.153 120.300 0.010 0.000 2.712 382 Y HA 0.062 4.614 4.550 0.002 0.000 0.333 382 Y C -1.210 174.669 175.900 -0.035 0.000 1.225 382 Y CA -0.844 57.222 58.100 -0.056 0.000 1.499 382 Y CB 0.917 39.342 38.460 -0.057 0.000 1.288 382 Y HN -0.053 nan 8.280 nan 0.000 0.575 383 P HA 0.146 nan 4.420 nan 0.000 0.259 383 P C 0.420 177.398 177.300 -0.535 0.000 1.530 383 P CA 0.200 62.737 63.100 -0.939 0.000 1.022 383 P CB 0.464 31.732 31.700 -0.720 0.000 1.514 384 T N -0.574 113.786 114.554 -0.324 0.000 2.809 384 T HA 0.046 4.397 4.350 0.003 0.000 0.260 384 T C 1.093 175.618 174.700 -0.291 0.000 1.039 384 T CA 1.146 63.096 62.100 -0.250 0.000 1.141 384 T CB -0.124 68.642 68.868 -0.170 0.000 0.869 384 T HN 0.111 nan 8.240 nan 0.000 0.437 385 V N -0.692 119.016 119.914 -0.344 0.000 3.141 385 V HA 0.901 5.023 4.120 0.003 0.000 0.312 385 V C -1.026 174.837 176.094 -0.384 0.000 1.157 385 V CA -1.248 60.809 62.300 -0.405 0.000 1.041 385 V CB 2.179 33.673 31.823 -0.548 0.000 1.071 385 V HN 0.138 nan 8.190 nan 0.000 0.441 386 N N -1.228 117.262 118.700 -0.350 0.000 2.934 386 N HA 0.543 5.285 4.740 0.003 0.000 0.253 386 N C -1.581 173.753 175.510 -0.294 0.000 1.466 386 N CA -0.597 52.291 53.050 -0.271 0.000 0.858 386 N CB 1.453 39.934 38.487 -0.009 0.000 1.459 386 N HN 0.719 nan 8.380 nan 0.000 0.532 387 Y N 0.469 120.735 120.300 -0.055 0.000 2.281 387 Y HA 0.383 4.935 4.550 0.003 0.000 0.337 387 Y C 0.647 176.493 175.900 -0.090 0.000 1.304 387 Y CA 0.292 58.321 58.100 -0.119 0.000 1.465 387 Y CB 0.455 38.781 38.460 -0.223 0.000 1.350 387 Y HN 0.328 nan 8.280 nan 0.000 0.575 388 H N -0.086 118.956 119.070 -0.047 0.000 3.112 388 H HA 0.396 4.953 4.556 0.003 0.000 0.347 388 H C -1.925 173.323 175.328 -0.133 0.000 1.188 388 H CA -0.785 55.189 56.048 -0.122 0.000 1.240 388 H CB 1.829 31.508 29.762 -0.138 0.000 1.920 388 H HN 0.815 nan 8.280 nan 0.000 0.535 389 C N 6.600 125.611 119.300 -0.482 0.000 2.752 389 C HA 0.445 4.907 4.460 0.003 0.000 0.360 389 C C 0.069 174.908 174.990 -0.252 0.000 1.081 389 C CA -0.381 58.467 59.018 -0.284 0.000 1.272 389 C CB 0.373 27.973 27.740 -0.233 0.000 1.754 389 C HN 0.953 nan 8.230 nan 0.000 0.483 390 M N 3.409 122.961 119.600 -0.080 0.000 2.414 390 M HA 0.239 4.721 4.480 0.003 0.000 0.357 390 M C 0.223 176.550 176.300 0.045 0.000 1.059 390 M CA 0.287 55.610 55.300 0.038 0.000 0.959 390 M CB 0.741 33.464 32.600 0.205 0.000 1.522 390 M HN 0.614 nan 8.290 nan 0.000 0.551 391 S N 1.685 117.422 115.700 0.062 0.000 2.733 391 S HA 0.780 5.252 4.470 0.003 0.000 0.294 391 S C -1.102 173.553 174.600 0.092 0.000 1.149 391 S CA -0.492 57.781 58.200 0.122 0.000 1.034 391 S CB 1.268 64.586 63.200 0.196 0.000 1.015 391 S HN 0.400 nan 8.310 nan 0.000 0.486 392 M N 4.666 124.292 119.600 0.043 0.000 2.414 392 M HA 0.649 5.131 4.480 0.003 0.000 0.287 392 M C -0.886 175.016 176.300 -0.664 0.000 1.181 392 M CA -0.100 55.086 55.300 -0.191 0.000 0.933 392 M CB 1.663 34.264 32.600 0.003 0.000 1.732 392 M HN 0.857 nan 8.290 nan 0.000 0.486 393 G N 1.725 109.670 108.800 -1.425 0.000 2.489 393 G HA2 0.614 4.576 3.960 0.003 0.000 0.305 393 G HA3 0.614 4.576 3.960 0.003 0.000 0.305 393 G C -2.315 171.730 174.900 -1.426 0.000 1.311 393 G CA -0.561 43.421 45.100 -1.864 0.000 0.813 393 G HN 0.626 nan 8.290 nan 0.000 0.480 394 V N -0.467 118.909 119.914 -0.896 0.000 2.540 394 V HA 0.641 4.763 4.120 0.003 0.000 0.302 394 V C -0.614 175.530 176.094 0.084 0.000 1.035 394 V CA -0.660 61.403 62.300 -0.394 0.000 0.873 394 V CB 1.323 32.897 31.823 -0.416 0.000 0.992 394 V HN 1.023 nan 8.190 nan 0.000 0.428 395 C N 6.250 125.742 119.300 0.320 0.000 2.446 395 C HA 0.621 5.083 4.460 0.003 0.000 0.329 395 C C 0.668 176.009 174.990 0.586 0.000 1.166 395 C CA -0.720 58.584 59.018 0.477 0.000 1.341 395 C CB 0.454 28.517 27.740 0.538 0.000 1.970 395 C HN 1.026 nan 8.230 nan 0.000 0.452 396 R N 4.302 125.047 120.500 0.408 0.000 3.158 396 R HA -0.217 4.125 4.340 0.003 0.000 0.244 396 R C 0.598 177.073 176.300 0.293 0.000 0.900 396 R CA 1.471 57.744 56.100 0.288 0.000 0.618 396 R CB -1.744 28.598 30.300 0.069 0.000 1.061 396 R HN 1.121 nan 8.270 nan 0.000 0.471 397 N N -1.699 117.145 118.700 0.241 0.000 2.828 397 N HA -0.223 4.519 4.740 0.003 0.000 0.248 397 N C -0.745 174.752 175.510 -0.023 0.000 1.044 397 N CA 1.580 54.716 53.050 0.143 0.000 0.851 397 N CB -0.442 38.148 38.487 0.172 0.000 1.136 397 N HN 0.563 nan 8.380 nan 0.000 0.572 398 R N 0.360 120.874 120.500 0.023 0.000 2.599 398 R HA 0.482 4.824 4.340 0.003 0.000 0.295 398 R C -0.772 175.368 176.300 -0.266 0.000 0.963 398 R CA -1.036 54.959 56.100 -0.175 0.000 0.883 398 R CB 1.695 31.819 30.300 -0.293 0.000 1.171 398 R HN 0.019 nan 8.270 nan 0.000 0.450 399 L N 3.070 124.086 121.223 -0.346 0.000 2.410 399 L HA 0.325 4.667 4.340 0.003 0.000 0.273 399 L C -1.273 175.381 176.870 -0.361 0.000 1.152 399 L CA 0.681 55.319 54.840 -0.336 0.000 0.855 399 L CB 0.120 42.112 42.059 -0.111 0.000 1.129 399 L HN 0.409 nan 8.230 nan 0.000 0.463 400 F N 4.130 123.897 119.950 -0.306 0.000 2.532 400 F HA 0.796 5.325 4.527 0.003 0.000 0.321 400 F C 0.174 175.835 175.800 -0.231 0.000 1.089 400 F CA -0.274 57.595 58.000 -0.218 0.000 0.926 400 F CB 2.019 40.787 39.000 -0.387 0.000 1.168 400 F HN 0.627 nan 8.300 nan 0.000 0.459 401 A N 3.091 125.968 122.820 0.094 0.000 2.517 401 A HA 0.690 5.012 4.320 0.003 0.000 0.297 401 A C -1.519 176.043 177.584 -0.036 0.000 1.050 401 A CA -0.706 51.329 52.037 -0.003 0.000 0.694 401 A CB 1.458 20.428 19.000 -0.050 0.000 1.277 401 A HN 0.697 nan 8.150 nan 0.000 0.400 402 M N 3.840 123.419 119.600 -0.035 0.000 2.319 402 M HA 0.389 4.870 4.480 0.003 0.000 0.343 402 M C -1.106 175.076 176.300 -0.195 0.000 1.364 402 M CA -0.576 54.689 55.300 -0.059 0.000 1.292 402 M CB -0.420 32.215 32.600 0.058 0.000 1.432 402 M HN 0.467 nan 8.290 nan 0.000 0.448 403 I N 4.824 125.140 120.570 -0.424 0.000 2.301 403 I HA 0.221 4.393 4.170 0.003 0.000 0.292 403 I C 0.210 176.134 176.117 -0.321 0.000 1.046 403 I CA -0.048 60.864 61.300 -0.646 0.000 1.282 403 I CB 0.081 37.086 38.000 -1.658 0.000 1.409 403 I HN 0.659 nan 8.210 nan 0.000 0.484 404 E N 4.074 124.200 120.200 -0.123 0.000 2.248 404 E HA 0.435 4.787 4.350 0.003 0.000 0.272 404 E C -0.447 176.188 176.600 0.060 0.000 1.008 404 E CA -0.539 55.861 56.400 0.001 0.000 0.856 404 E CB 1.401 31.137 29.700 0.060 0.000 1.120 404 E HN 0.411 nan 8.360 nan 0.000 0.397 405 T N 2.774 117.342 114.554 0.023 0.000 2.779 405 T HA 0.446 4.798 4.350 0.003 0.000 0.280 405 T C -0.351 174.268 174.700 -0.134 0.000 0.987 405 T CA -0.714 61.349 62.100 -0.062 0.000 0.966 405 T CB 0.619 69.446 68.868 -0.068 0.000 0.933 405 T HN 0.273 nan 8.240 nan 0.000 0.442 406 R N 1.147 121.534 120.500 -0.189 0.000 2.795 406 R HA 0.604 4.946 4.340 0.003 0.000 0.275 406 R C -0.023 176.142 176.300 -0.225 0.000 0.981 406 R CA -1.036 54.942 56.100 -0.203 0.000 0.917 406 R CB 1.499 31.651 30.300 -0.246 0.000 1.202 406 R HN 0.710 nan 8.270 nan 0.000 0.469 407 T N -0.525 113.910 114.554 -0.198 0.000 2.907 407 T HA 0.135 4.487 4.350 0.003 0.000 0.298 407 T C 1.245 175.832 174.700 -0.189 0.000 1.017 407 T CA -0.583 61.401 62.100 -0.193 0.000 1.118 407 T CB 0.703 69.480 68.868 -0.153 0.000 0.948 407 T HN 0.349 nan 8.240 nan 0.000 0.531 408 L N 2.837 123.937 121.223 -0.205 0.000 2.056 408 L HA 0.097 4.439 4.340 0.003 0.000 0.207 408 L C 2.949 179.732 176.870 -0.144 0.000 1.078 408 L CA 2.124 56.850 54.840 -0.189 0.000 0.749 408 L CB -1.173 40.740 42.059 -0.243 0.000 0.901 408 L HN 0.979 nan 8.230 nan 0.000 0.433 409 A N -1.164 121.577 122.820 -0.131 0.000 1.902 409 A HA -0.146 4.176 4.320 0.003 0.000 0.217 409 A C 2.068 179.603 177.584 -0.082 0.000 1.181 409 A CA 1.647 53.626 52.037 -0.096 0.000 0.623 409 A CB -0.118 18.831 19.000 -0.086 0.000 0.818 409 A HN 0.278 nan 8.150 nan 0.000 0.443 410 K N -2.463 117.880 120.400 -0.095 0.000 2.481 410 K HA 0.107 4.429 4.320 0.003 0.000 0.210 410 K C 0.087 176.626 176.600 -0.103 0.000 1.161 410 K CA 0.384 56.621 56.287 -0.082 0.000 1.023 410 K CB 0.337 32.795 32.500 -0.070 0.000 0.971 410 K HN 0.402 nan 8.250 nan 0.000 0.577 411 N N 1.374 119.993 118.700 -0.136 0.000 2.725 411 N HA -0.195 4.546 4.740 0.003 0.000 0.249 411 N C -0.840 174.566 175.510 -0.173 0.000 1.103 411 N CA 0.804 53.746 53.050 -0.180 0.000 0.707 411 N CB -0.990 37.381 38.487 -0.193 0.000 1.043 411 N HN 0.330 nan 8.380 nan 0.000 0.553 412 A N 0.210 122.946 122.820 -0.141 0.000 2.366 412 A HA 0.508 4.830 4.320 0.003 0.000 0.272 412 A C 0.309 177.817 177.584 -0.127 0.000 1.135 412 A CA -0.503 51.464 52.037 -0.117 0.000 0.804 412 A CB 0.533 19.479 19.000 -0.089 0.000 1.064 412 A HN 0.436 nan 8.150 nan 0.000 0.499 413 L N 3.626 124.782 121.223 -0.112 0.000 2.462 413 L HA 0.314 4.656 4.340 0.003 0.000 0.272 413 L C 1.396 178.223 176.870 -0.071 0.000 1.166 413 L CA 1.701 56.483 54.840 -0.097 0.000 0.880 413 L CB 0.655 42.671 42.059 -0.072 0.000 1.142 413 L HN 0.853 nan 8.230 nan 0.000 0.473 414 T N 0.595 115.106 114.554 -0.073 0.000 2.955 414 T HA 0.318 4.669 4.350 0.003 0.000 0.251 414 T C 0.490 175.174 174.700 -0.026 0.000 1.002 414 T CA 0.076 62.142 62.100 -0.056 0.000 0.970 414 T CB -0.161 68.657 68.868 -0.083 0.000 1.091 414 T HN 0.538 nan 8.240 nan 0.000 0.495 415 N N -0.999 117.693 118.700 -0.014 0.000 2.504 415 N HA 0.528 5.270 4.740 0.003 0.000 0.268 415 N C -2.151 173.375 175.510 0.027 0.000 1.184 415 N CA -0.559 52.504 53.050 0.022 0.000 0.875 415 N CB 1.978 40.499 38.487 0.057 0.000 1.630 415 N HN 0.256 nan 8.380 nan 0.000 0.486 416 C N 2.006 121.327 119.300 0.034 0.000 2.408 416 C HA 0.974 5.436 4.460 0.003 0.000 0.321 416 C C -0.387 174.634 174.990 0.052 0.000 1.245 416 C CA -0.411 58.623 59.018 0.026 0.000 1.523 416 C CB 0.256 28.002 27.740 0.011 0.000 2.178 416 C HN 0.773 nan 8.230 nan 0.000 0.488 417 A N 2.648 125.489 122.820 0.035 0.000 2.422 417 A HA 0.765 5.087 4.320 0.003 0.000 0.302 417 A C -1.259 176.387 177.584 0.103 0.000 1.041 417 A CA -0.454 51.656 52.037 0.123 0.000 0.708 417 A CB 0.919 20.085 19.000 0.276 0.000 1.257 417 A HN 0.841 nan 8.150 nan 0.000 0.414 418 L N 2.397 123.736 121.223 0.194 0.000 2.278 418 L HA 0.624 4.966 4.340 0.003 0.000 0.287 418 L C -1.430 175.663 176.870 0.371 0.000 1.072 418 L CA 0.011 54.973 54.840 0.204 0.000 0.819 418 L CB -0.033 42.129 42.059 0.171 0.000 1.176 418 L HN 0.630 nan 8.230 nan 0.000 0.435 419 W N 4.068 125.330 121.300 -0.064 0.000 2.529 419 W HA 0.496 5.157 4.660 0.003 0.000 0.321 419 W C -0.562 175.989 176.519 0.054 0.000 1.047 419 W CA -1.184 56.105 57.345 -0.094 0.000 1.216 419 W CB 1.399 30.552 29.460 -0.512 0.000 1.357 419 W HN 0.663 nan 8.180 nan 0.000 0.489 420 D N 0.834 121.394 120.400 0.265 0.000 2.581 420 D HA 0.795 5.436 4.640 0.003 0.000 0.232 420 D C -1.163 175.087 176.300 -0.083 0.000 1.143 420 D CA -1.093 52.839 54.000 -0.113 0.000 0.881 420 D CB 2.254 42.514 40.800 -0.901 0.000 1.500 420 D HN 0.300 nan 8.370 nan 0.000 0.458 421 R N 0.425 120.735 120.500 -0.318 0.000 2.561 421 R HA 0.394 4.736 4.340 0.003 0.000 0.266 421 R C -2.957 173.146 176.300 -0.328 0.000 1.091 421 R CA -1.849 53.976 56.100 -0.458 0.000 0.927 421 R CB 2.027 31.712 30.300 -1.024 0.000 1.240 421 R HN 0.389 nan 8.270 nan 0.000 0.449 422 P HA 0.096 nan 4.420 nan 0.000 0.271 422 P C -0.560 176.712 177.300 -0.046 0.000 1.216 422 P CA -0.187 62.805 63.100 -0.180 0.000 0.776 422 P CB 0.695 32.295 31.700 -0.166 0.000 0.881 423 M N 1.158 120.700 119.600 -0.096 0.000 2.250 423 M HA 0.152 4.633 4.480 0.003 0.000 0.344 423 M C 0.673 176.998 176.300 0.041 0.000 1.150 423 M CA 0.071 55.304 55.300 -0.111 0.000 1.147 423 M CB 0.010 32.246 32.600 -0.605 0.000 1.498 423 M HN 0.267 nan 8.290 nan 0.000 0.461 424 S N 3.014 118.778 115.700 0.106 0.000 2.531 424 S HA 0.391 4.863 4.470 0.003 0.000 0.279 424 S C 0.117 174.818 174.600 0.169 0.000 1.305 424 S CA -0.325 57.953 58.200 0.131 0.000 1.058 424 S CB 0.584 63.858 63.200 0.123 0.000 0.899 424 S HN 0.457 nan 8.310 nan 0.000 0.493 425 R N 1.177 121.750 120.500 0.122 0.000 2.740 425 R HA 0.494 4.836 4.340 0.003 0.000 0.273 425 R C -1.228 175.082 176.300 0.018 0.000 0.998 425 R CA -0.544 55.608 56.100 0.087 0.000 0.900 425 R CB 2.094 32.447 30.300 0.088 0.000 1.223 425 R HN 0.511 nan 8.270 nan 0.000 0.466 426 S N 2.371 118.044 115.700 -0.045 0.000 2.498 426 S HA 0.539 5.011 4.470 0.003 0.000 0.317 426 S C -0.782 173.612 174.600 -0.343 0.000 1.090 426 S CA -0.662 57.465 58.200 -0.121 0.000 1.089 426 S CB 0.829 63.997 63.200 -0.052 0.000 0.997 426 S HN 0.278 nan 8.310 nan 0.000 0.470 427 L N 3.692 124.686 121.223 -0.382 0.000 2.346 427 L HA 0.550 4.891 4.340 0.003 0.000 0.276 427 L C -0.909 175.604 176.870 -0.594 0.000 1.006 427 L CA -0.864 53.675 54.840 -0.502 0.000 0.817 427 L CB 1.539 43.414 42.059 -0.308 0.000 1.272 427 L HN 0.720 nan 8.230 nan 0.000 0.421 428 H N 3.565 122.541 119.070 -0.157 0.000 2.638 428 H HA 0.602 5.160 4.556 0.003 0.000 0.303 428 H C -0.762 174.367 175.328 -0.333 0.000 1.034 428 H CA -0.475 55.441 56.048 -0.221 0.000 1.225 428 H CB 0.975 30.692 29.762 -0.076 0.000 1.394 428 H HN 0.321 nan 8.280 nan 0.000 0.477 429 L N 1.938 122.840 121.223 -0.536 0.000 2.301 429 L HA 0.626 4.967 4.340 0.003 0.000 0.264 429 L C -0.140 176.492 176.870 -0.396 0.000 1.016 429 L CA -0.899 53.608 54.840 -0.556 0.000 0.821 429 L CB 2.353 43.871 42.059 -0.902 0.000 1.346 429 L HN 0.500 nan 8.230 nan 0.000 0.429 430 T N 0.699 115.208 114.554 -0.075 0.000 2.809 430 T HA 0.608 4.960 4.350 0.003 0.000 0.284 430 T C 0.170 175.045 174.700 0.292 0.000 0.992 430 T CA 0.100 62.277 62.100 0.129 0.000 0.957 430 T CB 1.501 70.414 68.868 0.074 0.000 0.942 430 T HN 1.048 nan 8.240 nan 0.000 0.439 431 G N 2.087 111.145 108.800 0.429 0.000 2.692 431 G HA2 0.203 4.165 3.960 0.003 0.000 0.248 431 G HA3 0.203 4.165 3.960 0.003 0.000 0.248 431 G C 0.787 175.933 174.900 0.409 0.000 1.340 431 G CA 0.333 45.620 45.100 0.311 0.000 0.896 431 G HN 2.001 nan 8.290 nan 0.000 0.570 432 G N -2.213 106.704 108.800 0.195 0.000 2.176 432 G HA2 -0.085 3.877 3.960 0.003 0.000 0.232 432 G HA3 -0.085 3.877 3.960 0.003 0.000 0.232 432 G C 0.319 175.254 174.900 0.058 0.000 0.986 432 G CA 0.716 45.939 45.100 0.206 0.000 0.643 432 G HN 1.561 nan 8.290 nan 0.000 0.522 433 I N 2.184 122.685 120.570 -0.115 0.000 2.404 433 I HA 0.586 4.758 4.170 0.003 0.000 0.293 433 I C 0.389 176.392 176.117 -0.191 0.000 0.992 433 I CA -0.290 60.856 61.300 -0.256 0.000 1.149 433 I CB 2.030 39.712 38.000 -0.530 0.000 1.315 433 I HN 0.235 nan 8.210 nan 0.000 0.446 434 T N 2.334 116.791 114.554 -0.162 0.000 2.900 434 T HA 0.563 4.915 4.350 0.003 0.000 0.295 434 T C -0.770 173.859 174.700 -0.117 0.000 1.044 434 T CA -0.983 61.045 62.100 -0.120 0.000 0.995 434 T CB 2.472 71.292 68.868 -0.080 0.000 1.072 434 T HN 0.626 nan 8.240 nan 0.000 0.473 435 K N 1.497 121.839 120.400 -0.097 0.000 2.652 435 K HA 0.615 4.937 4.320 0.003 0.000 0.249 435 K C -0.519 176.049 176.600 -0.054 0.000 0.986 435 K CA -0.671 55.568 56.287 -0.080 0.000 0.867 435 K CB 1.552 33.987 32.500 -0.109 0.000 1.201 435 K HN 0.984 nan 8.250 nan 0.000 0.450 436 A N 2.788 125.590 122.820 -0.030 0.000 2.462 436 A HA 0.526 4.848 4.320 0.003 0.000 0.243 436 A C 0.278 177.850 177.584 -0.020 0.000 1.076 436 A CA 0.077 52.102 52.037 -0.020 0.000 0.773 436 A CB 0.370 19.366 19.000 -0.006 0.000 1.010 436 A HN 0.860 nan 8.150 nan 0.000 0.493 437 A N 2.153 124.961 122.820 -0.021 0.000 2.555 437 A HA 0.341 4.662 4.320 0.003 0.000 0.233 437 A C 0.838 178.413 177.584 -0.014 0.000 1.060 437 A CA 0.607 52.632 52.037 -0.021 0.000 0.759 437 A CB -0.753 18.236 19.000 -0.019 0.000 0.995 437 A HN 1.445 nan 8.150 nan 0.000 0.506 438 N N -1.425 117.264 118.700 -0.018 0.000 2.714 438 N HA -0.243 4.499 4.740 0.003 0.000 0.250 438 N C -0.391 175.116 175.510 -0.006 0.000 1.117 438 N CA 1.307 54.349 53.050 -0.014 0.000 0.719 438 N CB -1.348 37.134 38.487 -0.009 0.000 1.081 438 N HN 1.004 nan 8.380 nan 0.000 0.557 439 Q N -1.996 117.799 119.800 -0.008 0.000 2.590 439 Q HA 0.532 4.874 4.340 0.003 0.000 0.295 439 Q C -0.218 175.760 176.000 -0.037 0.000 0.973 439 Q CA -1.013 54.794 55.803 0.008 0.000 0.768 439 Q CB 0.994 29.774 28.738 0.070 0.000 1.479 439 Q HN 0.066 nan 8.270 nan 0.000 0.419 440 R N -0.660 119.778 120.500 -0.103 0.000 2.308 440 R HA 0.269 4.611 4.340 0.003 0.000 0.202 440 R C -0.314 175.793 176.300 -0.322 0.000 0.898 440 R CA 0.086 56.035 56.100 -0.252 0.000 1.046 440 R CB 0.396 30.483 30.300 -0.354 0.000 1.026 440 R HN 0.511 nan 8.270 nan 0.000 0.512 441 Y N 0.523 120.790 120.300 -0.055 0.000 2.301 441 Y HA 0.450 5.001 4.550 0.003 0.000 0.325 441 Y C 0.459 176.303 175.900 -0.093 0.000 1.203 441 Y CA -0.839 57.223 58.100 -0.063 0.000 1.255 441 Y CB 1.099 39.535 38.460 -0.039 0.000 1.232 441 Y HN -0.054 nan 8.280 nan 0.000 0.501 442 A N 1.286 124.122 122.820 0.027 0.000 2.401 442 A HA 0.730 5.052 4.320 0.003 0.000 0.310 442 A C -0.739 176.786 177.584 -0.099 0.000 1.075 442 A CA -0.772 51.214 52.037 -0.086 0.000 0.746 442 A CB 0.901 19.776 19.000 -0.210 0.000 1.277 442 A HN 0.648 nan 8.150 nan 0.000 0.425 443 T N 3.103 117.583 114.554 -0.125 0.000 2.795 443 T HA 0.515 4.867 4.350 0.003 0.000 0.282 443 T C -0.245 174.314 174.700 -0.235 0.000 0.980 443 T CA -0.098 61.913 62.100 -0.148 0.000 1.012 443 T CB 0.366 69.186 68.868 -0.080 0.000 0.936 443 T HN 0.390 nan 8.240 nan 0.000 0.457 444 I N 3.400 123.730 120.570 -0.400 0.000 2.382 444 I HA 0.226 4.397 4.170 0.003 0.000 0.286 444 I C -0.024 175.906 176.117 -0.310 0.000 1.002 444 I CA -0.793 60.232 61.300 -0.459 0.000 1.135 444 I CB 0.850 38.317 38.000 -0.889 0.000 1.288 444 I HN 0.734 nan 8.210 nan 0.000 0.448 445 H N 6.362 125.379 119.070 -0.087 0.000 2.761 445 H HA 0.568 5.126 4.556 0.003 0.000 0.284 445 H C -1.269 174.155 175.328 0.159 0.000 1.105 445 H CA -0.138 55.935 56.048 0.042 0.000 1.352 445 H CB 0.752 30.552 29.762 0.063 0.000 1.423 445 H HN 0.313 nan 8.280 nan 0.000 0.464 446 V N 8.515 128.359 119.914 -0.117 0.000 2.462 446 V HA 0.249 4.371 4.120 0.003 0.000 0.288 446 V C -2.313 173.765 176.094 -0.028 0.000 1.020 446 V CA -1.845 60.460 62.300 0.008 0.000 0.857 446 V CB 1.464 33.454 31.823 0.278 0.000 1.013 446 V HN 0.805 nan 8.190 nan 0.000 0.431 447 P HA 0.094 nan 4.420 nan 0.000 0.262 447 P C 0.055 177.324 177.300 -0.051 0.000 1.182 447 P CA 0.557 63.587 63.100 -0.116 0.000 0.761 447 P CB 0.193 31.855 31.700 -0.063 0.000 0.795 448 D N 1.274 121.604 120.400 -0.116 0.000 2.686 448 D HA -0.211 4.431 4.640 0.003 0.000 0.235 448 D C 0.977 177.181 176.300 -0.160 0.000 1.160 448 D CA 1.042 54.928 54.000 -0.190 0.000 0.645 448 D CB -1.338 39.398 40.800 -0.106 0.000 1.039 448 D HN 0.708 nan 8.370 nan 0.000 0.423 449 H N -1.343 117.729 119.070 0.004 0.000 2.422 449 H HA 0.095 4.652 4.556 0.003 0.000 0.298 449 H C 1.904 177.211 175.328 -0.036 0.000 1.098 449 H CA 1.621 57.683 56.048 0.024 0.000 1.315 449 H CB -0.302 29.533 29.762 0.122 0.000 1.382 449 H HN 0.346 nan 8.280 nan 0.000 0.523 450 G N 0.201 108.878 108.800 -0.205 0.000 2.179 450 G HA2 -0.291 3.671 3.960 0.003 0.000 0.257 450 G HA3 -0.291 3.671 3.960 0.003 0.000 0.257 450 G C -0.133 174.687 174.900 -0.134 0.000 1.010 450 G CA 0.497 45.564 45.100 -0.055 0.000 0.736 450 G HN 0.469 nan 8.290 nan 0.000 0.513 451 L N -0.843 120.422 121.223 0.069 0.000 2.344 451 L HA 0.842 5.183 4.340 0.003 0.000 0.272 451 L C 0.286 177.040 176.870 -0.194 0.000 1.035 451 L CA -1.237 53.480 54.840 -0.205 0.000 0.807 451 L CB 0.982 42.849 42.059 -0.319 0.000 1.237 451 L HN -0.026 nan 8.230 nan 0.000 0.442 452 F N -0.254 119.713 119.950 0.029 0.000 2.575 452 F HA 0.444 4.973 4.527 0.003 0.000 0.330 452 F C 0.198 175.985 175.800 -0.023 0.000 1.056 452 F CA -1.283 56.738 58.000 0.036 0.000 0.964 452 F CB 1.103 40.123 39.000 0.034 0.000 1.258 452 F HN -0.069 nan 8.300 nan 0.000 0.484 453 V N 1.810 121.860 119.914 0.227 0.000 2.584 453 V HA 0.278 4.400 4.120 0.003 0.000 0.303 453 V C 0.986 177.130 176.094 0.083 0.000 1.035 453 V CA 1.802 64.171 62.300 0.115 0.000 1.172 453 V CB -0.091 31.788 31.823 0.094 0.000 0.896 453 V HN 1.090 nan 8.190 nan 0.000 0.486 454 G N 3.766 112.595 108.800 0.048 0.000 2.234 454 G HA2 -0.190 3.772 3.960 0.003 0.000 0.235 454 G HA3 -0.190 3.772 3.960 0.003 0.000 0.235 454 G C -0.003 174.906 174.900 0.014 0.000 0.997 454 G CA 0.035 45.153 45.100 0.031 0.000 0.623 454 G HN 0.668 nan 8.290 nan 0.000 0.514 455 D N 0.123 120.519 120.400 -0.006 0.000 2.382 455 D HA 0.413 5.055 4.640 0.003 0.000 0.240 455 D C 0.414 176.710 176.300 -0.007 0.000 1.146 455 D CA -0.250 53.731 54.000 -0.031 0.000 0.897 455 D CB 0.461 41.204 40.800 -0.096 0.000 1.197 455 D HN 0.169 nan 8.370 nan 0.000 0.432 456 F N 1.937 121.820 119.950 -0.111 0.000 2.495 456 F HA 0.267 4.796 4.527 0.003 0.000 0.365 456 F C -0.079 175.662 175.800 -0.097 0.000 1.090 456 F CA -0.266 57.688 58.000 -0.077 0.000 1.235 456 F CB 0.481 39.440 39.000 -0.069 0.000 1.119 456 F HN 0.045 nan 8.300 nan 0.000 0.562 457 V N 3.293 122.771 119.914 -0.727 0.000 2.668 457 V HA 0.464 4.586 4.120 0.003 0.000 0.304 457 V C -1.222 174.332 176.094 -0.900 0.000 1.071 457 V CA -1.033 60.887 62.300 -0.633 0.000 0.894 457 V CB 1.354 32.982 31.823 -0.325 0.000 1.008 457 V HN 0.838 nan 8.190 nan 0.000 0.425 458 N N 2.965 121.242 118.700 -0.706 0.000 2.362 458 N HA 0.769 5.510 4.740 0.003 0.000 0.298 458 N C -1.511 173.762 175.510 -0.396 0.000 1.048 458 N CA -0.468 52.347 53.050 -0.391 0.000 0.858 458 N CB 1.466 39.953 38.487 0.000 0.000 1.218 458 N HN 0.631 nan 8.380 nan 0.000 0.488 459 F N 1.072 121.080 119.950 0.096 0.000 2.532 459 F HA 0.558 5.087 4.527 0.003 0.000 0.321 459 F C 0.378 176.294 175.800 0.193 0.000 1.089 459 F CA -0.762 57.355 58.000 0.195 0.000 0.926 459 F CB 2.230 41.300 39.000 0.117 0.000 1.168 459 F HN 0.303 nan 8.300 nan 0.000 0.459 460 S N 2.263 118.243 115.700 0.467 0.000 2.547 460 S HA 0.365 4.837 4.470 0.003 0.000 0.281 460 S C -0.447 174.413 174.600 0.433 0.000 1.118 460 S CA -0.734 57.691 58.200 0.375 0.000 0.947 460 S CB 0.542 63.926 63.200 0.305 0.000 1.053 460 S HN 0.776 nan 8.310 nan 0.000 0.482 461 N N 1.938 120.814 118.700 0.292 0.000 2.735 461 N HA -0.177 4.564 4.740 0.003 0.000 0.248 461 N C 1.014 176.650 175.510 0.210 0.000 1.083 461 N CA 1.024 54.218 53.050 0.239 0.000 0.703 461 N CB -1.622 37.036 38.487 0.284 0.000 1.005 461 N HN 0.772 nan 8.380 nan 0.000 0.550 462 S N -0.504 115.271 115.700 0.125 0.000 2.423 462 S HA 0.151 4.623 4.470 0.003 0.000 0.231 462 S C 1.487 175.980 174.600 -0.178 0.000 1.014 462 S CA 1.320 59.452 58.200 -0.114 0.000 0.965 462 S CB -0.001 63.033 63.200 -0.277 0.000 0.785 462 S HN 1.277 nan 8.310 nan 0.000 0.495 463 A N -0.788 121.987 122.820 -0.076 0.000 2.861 463 A HA -0.110 4.212 4.320 0.003 0.000 0.261 463 A C 0.308 177.818 177.584 -0.123 0.000 1.351 463 A CA 0.899 52.891 52.037 -0.074 0.000 0.904 463 A CB -2.383 16.589 19.000 -0.047 0.000 1.076 463 A HN 1.052 nan 8.150 nan 0.000 0.729 464 V N 1.597 121.405 119.914 -0.176 0.000 2.380 464 V HA 0.379 4.501 4.120 0.003 0.000 0.286 464 V C 0.638 176.628 176.094 -0.173 0.000 1.015 464 V CA 0.016 62.200 62.300 -0.193 0.000 0.834 464 V CB 1.331 32.987 31.823 -0.278 0.000 1.009 464 V HN 0.486 nan 8.190 nan 0.000 0.428 465 T N 3.855 118.334 114.554 -0.125 0.000 2.866 465 T HA 0.346 4.698 4.350 0.003 0.000 0.293 465 T C 1.381 176.005 174.700 -0.126 0.000 1.005 465 T CA 1.342 63.380 62.100 -0.103 0.000 1.162 465 T CB 0.472 69.293 68.868 -0.077 0.000 0.968 465 T HN 1.424 nan 8.240 nan 0.000 0.530 466 G N 2.222 110.953 108.800 -0.115 0.000 2.258 466 G HA2 -0.261 3.700 3.960 0.003 0.000 0.233 466 G HA3 -0.261 3.700 3.960 0.003 0.000 0.233 466 G C 0.264 175.059 174.900 -0.174 0.000 1.006 466 G CA -0.179 44.845 45.100 -0.127 0.000 0.620 466 G HN 0.797 nan 8.290 nan 0.000 0.511 467 V N 1.973 121.736 119.914 -0.252 0.000 2.313 467 V HA 0.655 4.777 4.120 0.003 0.000 0.252 467 V C 0.409 176.355 176.094 -0.247 0.000 1.112 467 V CA 0.705 62.745 62.300 -0.434 0.000 0.984 467 V CB 0.635 32.062 31.823 -0.659 0.000 1.157 467 V HN 0.908 nan 8.190 nan 0.000 0.493 468 S N 3.647 119.305 115.700 -0.069 0.000 2.563 468 S HA 0.685 5.157 4.470 0.003 0.000 0.279 468 S C -0.015 174.674 174.600 0.148 0.000 1.155 468 S CA 0.581 58.833 58.200 0.086 0.000 0.928 468 S CB 1.337 64.552 63.200 0.026 0.000 1.107 468 S HN 1.835 nan 8.310 nan 0.000 0.462 469 G N 3.925 112.840 108.800 0.191 0.000 2.569 469 G HA2 -0.176 3.785 3.960 0.003 0.000 0.259 469 G HA3 -0.176 3.785 3.960 0.003 0.000 0.259 469 G C -1.125 173.843 174.900 0.114 0.000 1.263 469 G CA 0.219 45.405 45.100 0.143 0.000 0.928 469 G HN 0.847 nan 8.290 nan 0.000 0.572 470 D N 1.583 122.028 120.400 0.076 0.000 2.371 470 D HA 0.556 5.198 4.640 0.003 0.000 0.256 470 D C 0.962 177.225 176.300 -0.062 0.000 1.193 470 D CA 0.812 54.793 54.000 -0.031 0.000 0.881 470 D CB 0.579 41.494 40.800 0.192 0.000 1.143 470 D HN 0.516 nan 8.370 nan 0.000 0.473 471 M N 0.542 120.016 119.600 -0.210 0.000 2.744 471 M HA 0.444 4.926 4.480 0.003 0.000 0.283 471 M C -0.105 176.119 176.300 -0.126 0.000 1.275 471 M CA -0.891 54.379 55.300 -0.049 0.000 0.796 471 M CB 2.390 35.085 32.600 0.157 0.000 1.739 471 M HN 0.247 nan 8.290 nan 0.000 0.454 472 T N -1.649 112.905 114.554 0.000 0.000 2.906 472 T HA 0.649 5.001 4.350 0.003 0.000 0.295 472 T C -0.606 174.133 174.700 0.064 0.000 1.075 472 T CA -0.866 61.235 62.100 0.001 0.000 1.005 472 T CB 1.414 70.297 68.868 0.025 0.000 1.136 472 T HN 0.372 nan 8.240 nan 0.000 0.498 473 V N 2.506 122.427 119.914 0.012 0.000 2.485 473 V HA 0.416 4.538 4.120 0.003 0.000 0.287 473 V C 1.523 177.681 176.094 0.106 0.000 1.022 473 V CA 0.496 62.823 62.300 0.046 0.000 1.067 473 V CB 0.003 31.735 31.823 -0.151 0.000 0.967 473 V HN 1.209 nan 8.190 nan 0.000 0.479 474 A N 4.631 127.555 122.820 0.174 0.000 1.887 474 A HA 0.226 4.548 4.320 0.003 0.000 0.212 474 A C 1.145 178.806 177.584 0.127 0.000 1.198 474 A CA 1.227 53.361 52.037 0.161 0.000 0.628 474 A CB 0.075 19.216 19.000 0.234 0.000 0.847 474 A HN 0.878 nan 8.150 nan 0.000 0.449 475 T N -3.826 110.814 114.554 0.143 0.000 2.883 475 T HA 0.583 4.935 4.350 0.003 0.000 0.301 475 T C -1.158 173.649 174.700 0.178 0.000 1.158 475 T CA -0.637 61.533 62.100 0.116 0.000 1.007 475 T CB 1.607 70.504 68.868 0.049 0.000 1.186 475 T HN 0.245 nan 8.240 nan 0.000 0.499 476 V N 3.304 123.325 119.914 0.178 0.000 2.398 476 V HA 0.416 4.537 4.120 0.003 0.000 0.286 476 V C 1.016 177.226 176.094 0.194 0.000 1.026 476 V CA -0.681 61.764 62.300 0.242 0.000 0.868 476 V CB 0.944 32.947 31.823 0.299 0.000 0.982 476 V HN 0.945 nan 8.190 nan 0.000 0.443 477 I N 2.790 123.483 120.570 0.204 0.000 2.270 477 I HA 0.069 4.241 4.170 0.003 0.000 0.239 477 I C 0.727 176.938 176.117 0.156 0.000 1.080 477 I CA 1.140 62.528 61.300 0.146 0.000 1.383 477 I CB 0.270 38.342 38.000 0.120 0.000 1.097 477 I HN 0.901 nan 8.210 nan 0.000 0.420 478 D N -1.432 119.093 120.400 0.208 0.000 2.838 478 D HA 0.056 4.698 4.640 0.003 0.000 0.334 478 D C 0.314 176.735 176.300 0.202 0.000 1.315 478 D CA -0.726 53.378 54.000 0.173 0.000 0.917 478 D CB 0.225 41.098 40.800 0.121 0.000 1.435 478 D HN 0.002 nan 8.370 nan 0.000 0.517 479 K N -0.975 119.462 120.400 0.062 0.000 2.360 479 K HA -0.070 4.252 4.320 0.003 0.000 0.201 479 K C -0.215 176.253 176.600 -0.220 0.000 1.046 479 K CA 1.350 57.555 56.287 -0.137 0.000 0.945 479 K CB -0.203 32.197 32.500 -0.167 0.000 0.750 479 K HN 0.242 nan 8.250 nan 0.000 0.464 480 D N -0.058 120.381 120.400 0.065 0.000 2.469 480 D HA 0.132 4.774 4.640 0.003 0.000 0.213 480 D C -0.487 175.971 176.300 0.263 0.000 1.135 480 D CA -0.019 54.045 54.000 0.108 0.000 0.834 480 D CB 0.381 41.205 40.800 0.041 0.000 1.009 480 D HN 0.179 nan 8.370 nan 0.000 0.507 481 N N 0.652 119.591 118.700 0.399 0.000 2.336 481 N HA 0.331 5.073 4.740 0.003 0.000 0.290 481 N C -1.068 174.606 175.510 0.273 0.000 1.058 481 N CA -0.447 52.750 53.050 0.244 0.000 0.865 481 N CB 2.458 41.058 38.487 0.189 0.000 1.581 481 N HN -0.073 nan 8.380 nan 0.000 0.480 482 F N -1.113 118.836 119.950 -0.001 0.000 2.692 482 F HA 0.766 5.295 4.527 0.003 0.000 0.320 482 F C -0.060 175.747 175.800 0.011 0.000 1.123 482 F CA -0.888 57.092 58.000 -0.035 0.000 0.961 482 F CB 1.229 40.110 39.000 -0.199 0.000 1.383 482 F HN 0.262 nan 8.300 nan 0.000 0.483 483 T N -0.217 114.469 114.554 0.221 0.000 2.942 483 T HA 0.804 5.156 4.350 0.003 0.000 0.289 483 T C -0.796 174.064 174.700 0.265 0.000 1.044 483 T CA -0.379 61.795 62.100 0.124 0.000 1.023 483 T CB 1.557 70.479 68.868 0.090 0.000 1.123 483 T HN 1.533 nan 8.240 nan 0.000 0.512 484 V N -0.137 119.879 119.914 0.170 0.000 2.914 484 V HA 0.832 4.954 4.120 0.003 0.000 0.314 484 V C -0.790 175.380 176.094 0.127 0.000 1.084 484 V CA -1.355 61.044 62.300 0.164 0.000 0.963 484 V CB 1.480 33.356 31.823 0.088 0.000 1.025 484 V HN 1.011 nan 8.190 nan 0.000 0.432 485 L N 3.937 125.202 121.223 0.070 0.000 2.265 485 L HA 0.724 5.065 4.340 0.003 0.000 0.288 485 L C 0.588 177.356 176.870 -0.170 0.000 1.058 485 L CA 0.655 55.401 54.840 -0.157 0.000 0.809 485 L CB 1.142 43.110 42.059 -0.151 0.000 1.179 485 L HN 1.175 nan 8.230 nan 0.000 0.429 486 T N 2.127 116.542 114.554 -0.233 0.000 2.902 486 T HA 0.555 4.906 4.350 0.003 0.000 0.280 486 T C -1.969 172.630 174.700 -0.168 0.000 0.992 486 T CA -1.665 60.328 62.100 -0.179 0.000 1.015 486 T CB 1.298 70.059 68.868 -0.179 0.000 1.044 486 T HN 0.547 nan 8.240 nan 0.000 0.520 487 P HA 0.170 nan 4.420 nan 0.000 0.245 487 P C -0.485 176.759 177.300 -0.093 0.000 1.212 487 P CA 0.128 63.171 63.100 -0.095 0.000 0.774 487 P CB -0.180 31.483 31.700 -0.063 0.000 0.999 488 N N -0.881 117.756 118.700 -0.105 0.000 2.853 488 N HA 0.407 5.149 4.740 0.003 0.000 0.258 488 N C -1.239 174.215 175.510 -0.094 0.000 1.444 488 N CA -0.965 52.033 53.050 -0.087 0.000 0.837 488 N CB 0.963 39.409 38.487 -0.068 0.000 1.489 488 N HN -0.128 nan 8.380 nan 0.000 0.529 489 Q N -1.195 118.561 119.800 -0.072 0.000 2.416 489 Q HA 0.645 4.987 4.340 0.003 0.000 0.281 489 Q C -1.582 174.388 176.000 -0.050 0.000 1.067 489 Q CA -0.931 54.834 55.803 -0.064 0.000 0.809 489 Q CB 1.967 30.671 28.738 -0.057 0.000 1.418 489 Q HN 0.569 nan 8.270 nan 0.000 0.411 490 Q N 0.230 120.002 119.800 -0.047 0.000 2.433 490 Q HA 0.380 4.721 4.340 0.003 0.000 0.279 490 Q C 0.079 176.059 176.000 -0.032 0.000 1.105 490 Q CA -0.286 55.494 55.803 -0.040 0.000 0.815 490 Q CB 2.236 30.947 28.738 -0.045 0.000 1.403 490 Q HN 0.876 nan 8.270 nan 0.000 0.435 491 T N -3.269 111.269 114.554 -0.027 0.000 3.148 491 T HA 0.152 4.504 4.350 0.003 0.000 0.253 491 T C 0.442 175.129 174.700 -0.022 0.000 1.134 491 T CA 0.354 62.441 62.100 -0.022 0.000 1.051 491 T CB -0.072 68.785 68.868 -0.018 0.000 0.959 491 T HN 0.450 nan 8.240 nan 0.000 0.525 492 S N 0.365 116.049 115.700 -0.026 0.000 2.568 492 S HA 0.571 5.043 4.470 0.003 0.000 0.293 492 S C -1.272 173.310 174.600 -0.032 0.000 1.089 492 S CA -1.072 57.113 58.200 -0.026 0.000 0.945 492 S CB 1.583 64.768 63.200 -0.025 0.000 1.077 492 S HN 0.075 nan 8.310 nan 0.000 0.485 493 D N 1.105 121.487 120.400 -0.030 0.000 2.443 493 D HA 0.356 4.997 4.640 0.003 0.000 0.239 493 D C -0.424 175.849 176.300 -0.045 0.000 1.136 493 D CA 0.402 54.380 54.000 -0.036 0.000 0.879 493 D CB 0.353 41.134 40.800 -0.031 0.000 1.195 493 D HN 0.463 nan 8.370 nan 0.000 0.443 494 L N 2.462 123.651 121.223 -0.058 0.000 2.362 494 L HA 0.462 4.804 4.340 0.003 0.000 0.271 494 L C 0.037 176.858 176.870 -0.082 0.000 1.002 494 L CA -0.789 54.008 54.840 -0.071 0.000 0.818 494 L CB 1.800 43.806 42.059 -0.088 0.000 1.298 494 L HN 0.245 nan 8.230 nan 0.000 0.420 495 N N 1.401 120.052 118.700 -0.081 0.000 2.367 495 N HA 0.210 4.951 4.740 0.003 0.000 0.278 495 N C -1.149 174.310 175.510 -0.085 0.000 1.117 495 N CA -0.442 52.558 53.050 -0.084 0.000 0.867 495 N CB 2.025 40.478 38.487 -0.057 0.000 1.649 495 N HN 0.668 nan 8.380 nan 0.000 0.479 496 N N 1.214 119.853 118.700 -0.103 0.000 2.328 496 N HA 0.190 4.932 4.740 0.003 0.000 0.247 496 N C -0.360 175.145 175.510 -0.008 0.000 1.165 496 N CA -0.381 52.619 53.050 -0.082 0.000 0.873 496 N CB 0.125 38.505 38.487 -0.179 0.000 1.125 496 N HN 0.511 nan 8.380 nan 0.000 0.513 497 A N 0.026 122.844 122.820 -0.002 0.000 2.584 497 A HA 0.439 4.761 4.320 0.003 0.000 0.239 497 A C 1.608 179.216 177.584 0.041 0.000 1.043 497 A CA 0.674 52.726 52.037 0.026 0.000 0.756 497 A CB -0.872 18.132 19.000 0.006 0.000 0.963 497 A HN 1.103 nan 8.150 nan 0.000 0.511 498 G N 1.810 110.649 108.800 0.064 0.000 2.184 498 G HA2 -0.257 3.705 3.960 0.003 0.000 0.264 498 G HA3 -0.257 3.705 3.960 0.003 0.000 0.264 498 G C 0.177 175.121 174.900 0.073 0.000 0.975 498 G CA 0.964 46.100 45.100 0.060 0.000 0.642 498 G HN 0.913 nan 8.290 nan 0.000 0.536 499 K N 0.458 120.921 120.400 0.104 0.000 2.182 499 K HA 0.463 4.785 4.320 0.003 0.000 0.262 499 K C -0.546 176.183 176.600 0.214 0.000 0.957 499 K CA -0.987 55.372 56.287 0.121 0.000 0.842 499 K CB 0.892 33.445 32.500 0.088 0.000 1.099 499 K HN 0.071 nan 8.250 nan 0.000 0.438 500 N N 3.101 121.889 118.700 0.147 0.000 2.472 500 N HA 0.311 5.053 4.740 0.003 0.000 0.277 500 N C -0.736 174.857 175.510 0.138 0.000 1.081 500 N CA -0.298 52.809 53.050 0.095 0.000 0.973 500 N CB 0.639 39.123 38.487 -0.005 0.000 1.105 500 N HN 0.589 nan 8.380 nan 0.000 0.470 501 W N 0.863 122.054 121.300 -0.182 0.000 3.018 501 W HA 0.453 5.115 4.660 0.003 0.000 0.382 501 W C -1.211 175.091 176.519 -0.362 0.000 1.161 501 W CA -0.521 56.687 57.345 -0.228 0.000 1.144 501 W CB 0.588 30.044 29.460 -0.007 0.000 1.499 501 W HN 0.294 nan 8.180 nan 0.000 0.596 502 H N 1.167 120.419 119.070 0.304 0.000 2.717 502 H HA 0.679 5.237 4.556 0.003 0.000 0.366 502 H C -0.894 174.516 175.328 0.137 0.000 1.132 502 H CA -0.831 55.264 56.048 0.078 0.000 1.180 502 H CB 3.017 32.872 29.762 0.156 0.000 1.678 502 H HN 0.311 nan 8.280 nan 0.000 0.537 503 M N 0.478 120.077 119.600 -0.001 0.000 2.531 503 M HA 0.460 4.942 4.480 0.003 0.000 0.286 503 M C -0.500 175.753 176.300 -0.078 0.000 1.232 503 M CA -0.191 55.071 55.300 -0.065 0.000 0.877 503 M CB 2.517 35.063 32.600 -0.090 0.000 1.726 503 M HN 0.914 nan 8.290 nan 0.000 0.463 504 G N 1.212 109.987 108.800 -0.041 0.000 2.207 504 G HA2 -0.070 3.891 3.960 0.003 0.000 0.193 504 G HA3 -0.070 3.891 3.960 0.003 0.000 0.193 504 G C -0.455 174.467 174.900 0.037 0.000 1.050 504 G CA -0.011 45.066 45.100 -0.038 0.000 0.780 504 G HN 0.918 nan 8.290 nan 0.000 0.504 505 T N -2.031 112.582 114.554 0.097 0.000 2.952 505 T HA 0.806 5.157 4.350 0.003 0.000 0.286 505 T C -0.195 174.627 174.700 0.204 0.000 1.024 505 T CA -0.186 62.012 62.100 0.165 0.000 1.029 505 T CB 2.426 71.335 68.868 0.068 0.000 1.094 505 T HN 1.164 nan 8.240 nan 0.000 0.515 506 S N 0.822 116.630 115.700 0.180 0.000 2.720 506 S HA 0.380 4.852 4.470 0.003 0.000 0.278 506 S C 0.028 174.625 174.600 -0.004 0.000 1.172 506 S CA -0.844 57.363 58.200 0.012 0.000 1.019 506 S CB 0.728 63.711 63.200 -0.362 0.000 1.049 506 S HN 0.724 nan 8.310 nan 0.000 0.483 507 F N 4.767 124.653 119.950 -0.106 0.000 2.075 507 F HA -0.052 4.477 4.527 0.003 0.000 0.297 507 F C 2.156 177.837 175.800 -0.198 0.000 1.113 507 F CA 2.716 60.614 58.000 -0.169 0.000 1.218 507 F CB -0.497 38.448 39.000 -0.092 0.000 0.984 507 F HN 0.982 nan 8.300 nan 0.000 0.472 508 H N 0.286 119.345 119.070 -0.018 0.000 2.352 508 H HA -0.129 4.428 4.556 0.003 0.000 0.299 508 H C 1.855 177.029 175.328 -0.257 0.000 1.097 508 H CA 2.183 58.155 56.048 -0.127 0.000 1.311 508 H CB -0.114 29.618 29.762 -0.050 0.000 1.377 508 H HN 0.048 nan 8.280 nan 0.000 0.504 509 K N 0.477 120.651 120.400 -0.375 0.000 2.418 509 K HA 0.132 4.454 4.320 0.003 0.000 0.195 509 K C 0.139 176.574 176.600 -0.275 0.000 1.035 509 K CA 0.231 56.266 56.287 -0.421 0.000 1.003 509 K CB 0.536 32.664 32.500 -0.619 0.000 0.793 509 K HN 0.182 nan 8.250 nan 0.000 0.494 510 S N 2.353 117.870 115.700 -0.304 0.000 2.565 510 S HA 0.371 4.843 4.470 0.003 0.000 0.290 510 S C -2.383 171.974 174.600 -0.405 0.000 1.150 510 S CA -1.266 56.777 58.200 -0.262 0.000 1.058 510 S CB 1.916 64.982 63.200 -0.223 0.000 1.032 510 S HN 0.051 nan 8.310 nan 0.000 0.510 511 P HA 0.222 nan 4.420 nan 0.000 0.276 511 P C -1.033 176.045 177.300 -0.370 0.000 1.252 511 P CA -0.731 62.184 63.100 -0.309 0.000 0.802 511 P CB 0.486 32.087 31.700 -0.166 0.000 1.035 512 W N 0.803 121.877 121.300 -0.376 0.000 2.181 512 W HA 0.255 4.917 4.660 0.003 0.000 0.335 512 W C 1.441 177.763 176.519 -0.329 0.000 1.310 512 W CA -0.109 56.994 57.345 -0.403 0.000 1.226 512 W CB 0.289 29.384 29.460 -0.609 0.000 1.155 512 W HN 0.251 nan 8.180 nan 0.000 0.565 513 R N 3.450 123.967 120.500 0.029 0.000 2.221 513 R HA 0.266 4.608 4.340 0.003 0.000 0.327 513 R C -0.767 175.485 176.300 -0.080 0.000 1.033 513 R CA -0.452 55.635 56.100 -0.022 0.000 0.887 513 R CB 0.347 30.673 30.300 0.043 0.000 1.057 513 R HN 0.432 nan 8.270 nan 0.000 0.455 514 K N 3.111 123.399 120.400 -0.186 0.000 2.394 514 K HA 0.257 4.579 4.320 0.003 0.000 0.260 514 K C -1.149 175.431 176.600 -0.033 0.000 0.967 514 K CA -0.591 55.552 56.287 -0.239 0.000 0.855 514 K CB 2.332 34.490 32.500 -0.570 0.000 1.101 514 K HN 0.460 nan 8.250 nan 0.000 0.433 515 T N 1.819 116.429 114.554 0.094 0.000 2.821 515 T HA 0.066 4.417 4.350 0.003 0.000 0.307 515 T C -0.729 174.057 174.700 0.143 0.000 1.034 515 T CA -0.651 61.512 62.100 0.104 0.000 0.953 515 T CB 0.649 69.594 68.868 0.128 0.000 0.968 515 T HN 0.396 nan 8.240 nan 0.000 0.462 516 D N 3.005 123.471 120.400 0.111 0.000 2.371 516 D HA 0.093 4.735 4.640 0.003 0.000 0.256 516 D C 0.674 177.038 176.300 0.106 0.000 1.193 516 D CA -0.268 53.801 54.000 0.115 0.000 0.881 516 D CB 0.691 41.543 40.800 0.087 0.000 1.143 516 D HN 0.458 nan 8.370 nan 0.000 0.473 517 L N 3.211 124.500 121.223 0.110 0.000 2.640 517 L HA 0.298 4.640 4.340 0.003 0.000 0.230 517 L C 1.597 178.511 176.870 0.073 0.000 1.123 517 L CA -0.013 54.892 54.840 0.110 0.000 0.900 517 L CB -0.554 41.570 42.059 0.108 0.000 1.146 517 L HN 0.663 nan 8.230 nan 0.000 0.484 518 G N 1.330 110.168 108.800 0.063 0.000 2.601 518 G HA2 -0.341 3.621 3.960 0.003 0.000 0.261 518 G HA3 -0.341 3.621 3.960 0.003 0.000 0.261 518 G C -0.557 174.362 174.900 0.032 0.000 1.289 518 G CA -0.192 44.934 45.100 0.044 0.000 0.920 518 G HN 0.075 nan 8.290 nan 0.000 0.571 519 L N 1.058 122.293 121.223 0.020 0.000 2.363 519 L HA 0.568 4.910 4.340 0.003 0.000 0.286 519 L C 0.819 177.697 176.870 0.012 0.000 1.106 519 L CA -0.315 54.532 54.840 0.012 0.000 0.859 519 L CB -0.116 41.946 42.059 0.005 0.000 1.223 519 L HN 0.415 nan 8.230 nan 0.000 0.446 520 I N 7.981 128.556 120.570 0.009 0.000 2.533 520 I HA 0.152 4.324 4.170 0.003 0.000 0.284 520 I C -1.572 174.557 176.117 0.020 0.000 1.109 520 I CA -1.615 59.687 61.300 0.003 0.000 1.412 520 I CB 0.260 38.226 38.000 -0.057 0.000 1.396 520 I HN 0.525 nan 8.210 nan 0.000 0.543 521 P HA -0.002 nan 4.420 nan 0.000 0.268 521 P C -0.144 177.194 177.300 0.063 0.000 1.204 521 P CA 0.147 63.266 63.100 0.032 0.000 0.768 521 P CB 0.681 32.394 31.700 0.022 0.000 0.842 522 S N -0.749 114.992 115.700 0.069 0.000 3.608 522 S HA -0.072 4.400 4.470 0.003 0.000 0.382 522 S C -0.008 174.684 174.600 0.153 0.000 0.945 522 S CA 0.456 58.719 58.200 0.104 0.000 1.256 522 S CB -1.699 61.575 63.200 0.123 0.000 0.913 522 S HN 0.443 nan 8.310 nan 0.000 0.518 523 V N 0.684 120.667 119.914 0.116 0.000 2.686 523 V HA 0.448 4.570 4.120 0.003 0.000 0.306 523 V C 0.932 177.045 176.094 0.032 0.000 1.065 523 V CA -0.539 61.846 62.300 0.141 0.000 0.894 523 V CB 2.254 34.183 31.823 0.177 0.000 1.004 523 V HN 0.517 nan 8.190 nan 0.000 0.424 524 T N 2.246 116.753 114.554 -0.078 0.000 3.045 524 T HA 0.258 4.610 4.350 0.003 0.000 0.239 524 T C 0.272 174.872 174.700 -0.167 0.000 1.008 524 T CA 0.490 62.485 62.100 -0.176 0.000 1.143 524 T CB 0.344 69.031 68.868 -0.302 0.000 0.894 524 T HN 0.669 nan 8.240 nan 0.000 0.451 525 E N 0.433 120.506 120.200 -0.212 0.000 2.343 525 E HA 0.522 4.874 4.350 0.003 0.000 0.278 525 E C -1.699 175.001 176.600 0.167 0.000 0.910 525 E CA -0.516 55.895 56.400 0.018 0.000 0.757 525 E CB 3.145 32.916 29.700 0.119 0.000 1.218 525 E HN -0.083 nan 8.360 nan 0.000 0.435 526 V N 3.054 123.114 119.914 0.243 0.000 2.427 526 V HA 0.358 4.480 4.120 0.003 0.000 0.286 526 V C -0.294 176.007 176.094 0.345 0.000 1.034 526 V CA -0.439 62.047 62.300 0.309 0.000 0.893 526 V CB 1.224 33.223 31.823 0.294 0.000 0.982 526 V HN 0.601 nan 8.190 nan 0.000 0.452 527 H N 3.758 122.972 119.070 0.241 0.000 3.026 527 H HA 0.460 5.018 4.556 0.003 0.000 0.352 527 H C -0.527 174.951 175.328 0.251 0.000 1.090 527 H CA 0.674 56.865 56.048 0.239 0.000 1.268 527 H CB 2.041 31.953 29.762 0.251 0.000 1.816 527 H HN 0.846 nan 8.280 nan 0.000 0.518 528 S N 2.948 118.559 115.700 -0.148 0.000 3.461 528 S HA -0.138 4.334 4.470 0.003 0.000 0.820 528 S C -1.472 173.273 174.600 0.242 0.000 1.142 528 S CA 0.260 58.477 58.200 0.029 0.000 1.078 528 S CB -0.569 62.712 63.200 0.135 0.000 0.674 528 S HN 0.618 nan 8.310 nan 0.000 0.333 529 F N 2.024 122.026 119.950 0.085 0.000 2.588 529 F HA 0.673 5.202 4.527 0.003 0.000 0.314 529 F C -0.474 175.394 175.800 0.113 0.000 1.134 529 F CA 0.415 58.466 58.000 0.086 0.000 0.961 529 F CB 1.666 40.660 39.000 -0.011 0.000 1.239 529 F HN 0.978 nan 8.300 nan 0.000 0.448 530 A N 3.836 126.626 122.820 -0.050 0.000 2.411 530 A HA 0.566 4.888 4.320 0.003 0.000 0.285 530 A C -0.775 176.808 177.584 -0.001 0.000 1.129 530 A CA -0.598 51.498 52.037 0.099 0.000 0.736 530 A CB 0.756 19.847 19.000 0.151 0.000 1.186 530 A HN 0.635 nan 8.150 nan 0.000 0.445 531 T N 3.656 118.337 114.554 0.212 0.000 2.853 531 T HA 0.179 4.531 4.350 0.003 0.000 0.298 531 T C 1.304 176.093 174.700 0.150 0.000 0.978 531 T CA 0.029 62.279 62.100 0.251 0.000 1.152 531 T CB 0.241 69.316 68.868 0.345 0.000 0.914 531 T HN 0.451 nan 8.240 nan 0.000 0.539 532 I N 2.046 122.654 120.570 0.063 0.000 2.685 532 I HA 0.167 4.338 4.170 0.003 0.000 0.251 532 I C 1.046 177.203 176.117 0.066 0.000 1.102 532 I CA 0.922 62.119 61.300 -0.172 0.000 1.442 532 I CB -0.486 37.343 38.000 -0.286 0.000 1.194 532 I HN 0.737 nan 8.210 nan 0.000 0.448 533 D N -2.085 118.393 120.400 0.130 0.000 3.309 533 D HA 0.022 4.664 4.640 0.003 0.000 0.335 533 D C 0.330 176.725 176.300 0.157 0.000 1.393 533 D CA -0.511 53.580 54.000 0.151 0.000 0.963 533 D CB 0.117 40.992 40.800 0.125 0.000 1.431 533 D HN -0.224 nan 8.370 nan 0.000 0.583 534 N N -1.369 117.399 118.700 0.114 0.000 2.512 534 N HA 0.030 4.772 4.740 0.003 0.000 0.183 534 N C 0.301 175.846 175.510 0.058 0.000 1.073 534 N CA 0.838 53.932 53.050 0.075 0.000 0.911 534 N CB -0.009 38.489 38.487 0.019 0.000 0.964 534 N HN 0.272 nan 8.380 nan 0.000 0.447 535 N N -1.414 117.354 118.700 0.114 0.000 2.332 535 N HA 0.234 4.976 4.740 0.003 0.000 0.190 535 N C 0.376 176.009 175.510 0.205 0.000 1.117 535 N CA 0.546 53.684 53.050 0.148 0.000 0.883 535 N CB 1.291 39.826 38.487 0.081 0.000 1.089 535 N HN 0.186 nan 8.380 nan 0.000 0.480 536 G N -0.088 108.792 108.800 0.133 0.000 2.554 536 G HA2 0.548 4.510 3.960 0.003 0.000 0.306 536 G HA3 0.548 4.510 3.960 0.003 0.000 0.306 536 G C -1.934 172.990 174.900 0.040 0.000 1.320 536 G CA -0.704 44.347 45.100 -0.080 0.000 0.800 536 G HN 0.059 nan 8.290 nan 0.000 0.481 537 F N -2.308 117.638 119.950 -0.007 0.000 2.741 537 F HA 0.908 5.437 4.527 0.003 0.000 0.313 537 F C -0.289 175.520 175.800 0.015 0.000 1.153 537 F CA -1.417 56.489 58.000 -0.156 0.000 0.931 537 F CB 1.206 39.840 39.000 -0.610 0.000 1.335 537 F HN 1.023 nan 8.300 nan 0.000 0.460 538 A N 1.848 124.769 122.820 0.169 0.000 2.337 538 A HA 0.914 5.236 4.320 0.003 0.000 0.331 538 A C -1.103 176.584 177.584 0.172 0.000 1.137 538 A CA -0.905 51.291 52.037 0.265 0.000 0.807 538 A CB 1.438 20.549 19.000 0.185 0.000 1.250 538 A HN 0.818 nan 8.150 nan 0.000 0.468 539 M N 1.379 121.183 119.600 0.339 0.000 2.464 539 M HA 0.468 4.950 4.480 0.003 0.000 0.308 539 M C 0.507 176.984 176.300 0.295 0.000 1.127 539 M CA -0.440 55.040 55.300 0.300 0.000 0.913 539 M CB 2.340 35.182 32.600 0.404 0.000 1.689 539 M HN 0.871 nan 8.290 nan 0.000 0.445 540 G N 1.512 110.475 108.800 0.272 0.000 2.539 540 G HA2 0.521 4.483 3.960 0.003 0.000 0.258 540 G HA3 0.521 4.483 3.960 0.003 0.000 0.258 540 G C -1.517 173.532 174.900 0.249 0.000 1.202 540 G CA -0.055 45.193 45.100 0.246 0.000 0.851 540 G HN 0.804 nan 8.290 nan 0.000 0.556 541 Y N -0.095 120.188 120.300 -0.030 0.000 2.624 541 Y HA 0.714 5.266 4.550 0.003 0.000 0.334 541 Y C -0.912 175.010 175.900 0.036 0.000 1.155 541 Y CA -1.409 56.654 58.100 -0.062 0.000 1.046 541 Y CB 1.483 39.699 38.460 -0.406 0.000 1.316 541 Y HN 0.909 nan 8.280 nan 0.000 0.457 542 H N 1.708 120.715 119.070 -0.104 0.000 3.016 542 H HA 0.440 4.998 4.556 0.003 0.000 0.362 542 H C -1.980 173.400 175.328 0.088 0.000 1.233 542 H CA -0.930 54.992 56.048 -0.211 0.000 1.124 542 H CB 2.451 32.121 29.762 -0.152 0.000 1.850 542 H HN 0.810 nan 8.280 nan 0.000 0.549 543 Q N 1.468 121.305 119.800 0.062 0.000 2.339 543 Q HA 0.374 4.716 4.340 0.003 0.000 0.268 543 Q C -0.728 175.359 176.000 0.144 0.000 1.027 543 Q CA -0.497 55.349 55.803 0.072 0.000 0.759 543 Q CB 1.421 30.258 28.738 0.165 0.000 1.244 543 Q HN 1.031 nan 8.270 nan 0.000 0.464 544 G N 3.393 112.278 108.800 0.141 0.000 4.379 544 G HA2 0.134 4.096 3.960 0.003 0.000 0.290 544 G HA3 0.134 4.096 3.960 0.003 0.000 0.290 544 G C 0.075 175.028 174.900 0.089 0.000 1.065 544 G CA -0.209 44.990 45.100 0.166 0.000 0.833 544 G HN 0.555 nan 8.290 nan 0.000 0.512 545 D N -0.052 120.382 120.400 0.056 0.000 2.379 545 D HA 0.097 4.739 4.640 0.003 0.000 0.218 545 D C 1.238 177.557 176.300 0.031 0.000 1.006 545 D CA 0.856 54.877 54.000 0.035 0.000 0.893 545 D CB 1.462 42.273 40.800 0.018 0.000 1.019 545 D HN 0.349 nan 8.370 nan 0.000 0.503 546 V N -2.040 117.896 119.914 0.037 0.000 3.130 546 V HA 0.843 4.965 4.120 0.003 0.000 0.310 546 V C -0.749 175.367 176.094 0.035 0.000 1.158 546 V CA -1.361 60.958 62.300 0.031 0.000 1.029 546 V CB 1.666 33.505 31.823 0.028 0.000 1.057 546 V HN -0.004 nan 8.190 nan 0.000 0.436 547 A N 2.734 125.571 122.820 0.027 0.000 2.327 547 A HA 0.863 5.185 4.320 0.003 0.000 0.283 547 A C -1.749 175.852 177.584 0.028 0.000 1.127 547 A CA -1.151 50.901 52.037 0.025 0.000 0.810 547 A CB -0.314 18.696 19.000 0.016 0.000 1.066 547 A HN 0.948 nan 8.150 nan 0.000 0.492 548 P HA 0.360 nan 4.420 nan 0.000 0.281 548 P C -0.442 176.882 177.300 0.040 0.000 1.249 548 P CA -0.724 62.393 63.100 0.028 0.000 0.810 548 P CB 0.715 32.430 31.700 0.025 0.000 1.008 549 R N 1.326 121.846 120.500 0.033 0.000 2.590 549 R HA 0.131 4.473 4.340 0.003 0.000 0.274 549 R C -0.128 176.193 176.300 0.035 0.000 1.061 549 R CA 0.136 56.261 56.100 0.043 0.000 1.081 549 R CB 0.326 30.644 30.300 0.030 0.000 0.984 549 R HN 0.471 nan 8.270 nan 0.000 0.448 550 E N 2.465 122.694 120.200 0.048 0.000 2.199 550 E HA 0.380 4.732 4.350 0.003 0.000 0.269 550 E C -1.322 175.187 176.600 -0.152 0.000 0.899 550 E CA -0.948 55.454 56.400 0.004 0.000 0.772 550 E CB 2.455 32.241 29.700 0.143 0.000 1.155 550 E HN 0.241 nan 8.360 nan 0.000 0.408 551 V N 1.718 121.468 119.914 -0.274 0.000 2.686 551 V HA 0.800 4.922 4.120 0.003 0.000 0.306 551 V C 0.258 176.036 176.094 -0.526 0.000 1.065 551 V CA -0.397 61.646 62.300 -0.427 0.000 0.894 551 V CB 1.599 33.268 31.823 -0.257 0.000 1.004 551 V HN 0.919 nan 8.190 nan 0.000 0.424 552 G N 3.556 111.916 108.800 -0.733 0.000 2.435 552 G HA2 0.639 4.601 3.960 0.003 0.000 0.228 552 G HA3 0.639 4.601 3.960 0.003 0.000 0.228 552 G C -1.862 172.973 174.900 -0.109 0.000 1.198 552 G CA 0.055 44.959 45.100 -0.327 0.000 0.948 552 G HN 1.233 nan 8.290 nan 0.000 0.487 553 L N -2.842 118.505 121.223 0.207 0.000 2.415 553 L HA 0.939 5.281 4.340 0.003 0.000 0.256 553 L C -1.631 175.335 176.870 0.160 0.000 1.010 553 L CA -1.101 53.869 54.840 0.217 0.000 0.826 553 L CB 1.763 43.986 42.059 0.273 0.000 1.405 553 L HN 0.349 nan 8.230 nan 0.000 0.410 554 F N 1.639 121.795 119.950 0.344 0.000 2.426 554 F HA 0.499 5.027 4.527 0.003 0.000 0.348 554 F C -0.578 175.370 175.800 0.247 0.000 1.124 554 F CA -0.606 57.512 58.000 0.197 0.000 1.008 554 F CB 1.379 40.396 39.000 0.029 0.000 1.139 554 F HN 0.495 nan 8.300 nan 0.000 0.452 555 Y N 4.285 124.695 120.300 0.183 0.000 2.335 555 Y HA 0.506 5.058 4.550 0.003 0.000 0.339 555 Y C -1.451 174.377 175.900 -0.119 0.000 0.987 555 Y CA -2.100 56.032 58.100 0.054 0.000 1.140 555 Y CB 0.506 38.968 38.460 0.002 0.000 1.173 555 Y HN 0.439 nan 8.280 nan 0.000 0.486 556 F N 9.359 128.978 119.950 -0.551 0.000 2.303 556 F HA 0.344 4.873 4.527 0.003 0.000 0.368 556 F C -1.663 173.535 175.800 -1.003 0.000 1.105 556 F CA -1.975 55.582 58.000 -0.739 0.000 1.153 556 F CB 1.071 39.499 39.000 -0.954 0.000 1.362 556 F HN 0.491 nan 8.300 nan 0.000 0.511 557 P HA -0.123 nan 4.420 nan 0.000 0.219 557 P C 0.041 177.167 177.300 -0.291 0.000 1.150 557 P CA 1.296 63.911 63.100 -0.809 0.000 0.814 557 P CB 0.356 31.719 31.700 -0.562 0.000 0.787 558 D N -1.407 118.878 120.400 -0.192 0.000 2.429 558 D HA 0.325 4.967 4.640 0.003 0.000 0.255 558 D C 0.643 176.968 176.300 0.042 0.000 1.257 558 D CA -0.582 53.412 54.000 -0.010 0.000 0.890 558 D CB 0.282 41.094 40.800 0.020 0.000 1.267 558 D HN -0.153 nan 8.370 nan 0.000 0.521 559 A N 1.987 124.803 122.820 -0.006 0.000 2.168 559 A HA 0.006 4.328 4.320 0.003 0.000 0.215 559 A C 1.403 179.058 177.584 0.118 0.000 1.152 559 A CA 0.719 52.721 52.037 -0.059 0.000 0.716 559 A CB -0.446 18.247 19.000 -0.512 0.000 0.794 559 A HN 0.481 nan 8.150 nan 0.000 0.465 560 F N -0.204 119.889 119.950 0.238 0.000 2.147 560 F HA -0.010 4.519 4.527 0.003 0.000 0.291 560 F C 2.214 178.132 175.800 0.196 0.000 1.093 560 F CA 1.675 59.892 58.000 0.362 0.000 1.263 560 F CB -0.371 38.841 39.000 0.354 0.000 1.036 560 F HN 0.198 nan 8.300 nan 0.000 0.481 561 N N -1.138 117.746 118.700 0.307 0.000 2.300 561 N HA -0.031 4.711 4.740 0.003 0.000 0.179 561 N C -0.073 175.484 175.510 0.079 0.000 1.016 561 N CA 0.911 54.052 53.050 0.151 0.000 0.876 561 N CB 0.100 38.659 38.487 0.120 0.000 0.979 561 N HN -0.058 nan 8.380 nan 0.000 0.432 562 S N 0.687 116.437 115.700 0.084 0.000 2.112 562 S HA 0.207 4.679 4.470 0.003 0.000 0.151 562 S C -2.093 172.563 174.600 0.094 0.000 1.723 562 S CA -0.945 57.285 58.200 0.051 0.000 1.263 562 S CB 1.261 64.466 63.200 0.008 0.000 1.194 562 S HN 0.168 nan 8.310 nan 0.000 0.419 563 P HA -0.094 nan 4.420 nan 0.000 0.222 563 P C 1.300 178.786 177.300 0.309 0.000 1.147 563 P CA 0.961 64.188 63.100 0.211 0.000 0.790 563 P CB -0.026 31.776 31.700 0.170 0.000 0.780 564 S N -2.058 113.758 115.700 0.194 0.000 2.558 564 S HA 0.016 4.487 4.470 0.003 0.000 0.217 564 S C 0.809 175.476 174.600 0.111 0.000 0.975 564 S CA -0.309 58.007 58.200 0.193 0.000 0.912 564 S CB -1.001 62.254 63.200 0.091 0.000 0.776 564 S HN 0.052 nan 8.310 nan 0.000 0.526 565 N N 1.174 119.889 118.700 0.025 0.000 2.425 565 N HA 0.481 5.223 4.740 0.003 0.000 0.268 565 N C -1.050 174.241 175.510 -0.365 0.000 0.991 565 N CA -0.783 52.144 53.050 -0.205 0.000 0.931 565 N CB 0.685 39.065 38.487 -0.177 0.000 1.130 565 N HN 0.480 nan 8.380 nan 0.000 0.493 566 Y N 0.256 120.178 120.300 -0.630 0.000 2.562 566 Y HA 0.689 5.241 4.550 0.003 0.000 0.345 566 Y C -1.439 174.183 175.900 -0.463 0.000 1.045 566 Y CA -1.381 56.182 58.100 -0.895 0.000 1.028 566 Y CB 0.819 38.270 38.460 -1.682 0.000 1.297 566 Y HN 0.038 nan 8.280 nan 0.000 0.463 567 V N 3.013 122.836 119.914 -0.152 0.000 2.384 567 V HA 0.466 4.587 4.120 0.003 0.000 0.287 567 V C -0.078 176.160 176.094 0.241 0.000 1.020 567 V CA -0.854 61.447 62.300 0.002 0.000 0.850 567 V CB 1.159 33.016 31.823 0.057 0.000 0.987 567 V HN 0.846 nan 8.190 nan 0.000 0.436 568 R N 5.324 125.980 120.500 0.260 0.000 2.267 568 R HA 0.416 4.758 4.340 0.003 0.000 0.319 568 R C -0.597 175.877 176.300 0.289 0.000 1.067 568 R CA -0.393 55.946 56.100 0.399 0.000 0.936 568 R CB 0.434 30.952 30.300 0.363 0.000 1.006 568 R HN 0.653 nan 8.270 nan 0.000 0.452 569 R N 4.064 124.762 120.500 0.329 0.000 2.621 569 R HA 0.251 4.593 4.340 0.003 0.000 0.292 569 R C -0.797 175.711 176.300 0.347 0.000 0.969 569 R CA -0.864 55.421 56.100 0.309 0.000 0.887 569 R CB 2.388 32.861 30.300 0.289 0.000 1.180 569 R HN 0.678 nan 8.270 nan 0.000 0.450 570 Q N 1.890 121.872 119.800 0.303 0.000 2.301 570 Q HA 0.490 4.832 4.340 0.003 0.000 0.267 570 Q C 0.363 176.429 176.000 0.111 0.000 1.035 570 Q CA -0.866 55.037 55.803 0.165 0.000 0.856 570 Q CB 2.567 31.381 28.738 0.127 0.000 1.337 570 Q HN 0.575 nan 8.270 nan 0.000 0.450 571 I N -1.669 118.722 120.570 -0.297 0.000 2.945 571 I HA 0.402 4.574 4.170 0.003 0.000 0.292 571 I C -2.259 173.679 176.117 -0.298 0.000 1.093 571 I CA -2.388 58.435 61.300 -0.794 0.000 1.336 571 I CB 0.085 37.349 38.000 -1.227 0.000 1.435 571 I HN 0.307 nan 8.210 nan 0.000 0.593 572 P HA -0.026 nan 4.420 nan 0.000 0.264 572 P C 0.590 177.943 177.300 0.090 0.000 1.183 572 P CA 0.198 63.356 63.100 0.096 0.000 0.763 572 P CB 0.657 32.520 31.700 0.272 0.000 0.807 573 S N 1.965 117.702 115.700 0.061 0.000 2.419 573 S HA -0.237 4.235 4.470 0.003 0.000 0.235 573 S C 1.703 176.291 174.600 -0.020 0.000 1.019 573 S CA 1.137 59.348 58.200 0.019 0.000 0.982 573 S CB -0.836 62.376 63.200 0.019 0.000 0.789 573 S HN 0.588 nan 8.310 nan 0.000 0.490 574 E N 0.326 120.494 120.200 -0.054 0.000 2.160 574 E HA -0.185 4.167 4.350 0.003 0.000 0.195 574 E C 0.824 177.211 176.600 -0.355 0.000 0.991 574 E CA 1.230 57.481 56.400 -0.248 0.000 0.810 574 E CB -0.138 29.318 29.700 -0.406 0.000 0.742 574 E HN 0.838 nan 8.360 nan 0.000 0.466 575 Y N -0.234 120.052 120.300 -0.023 0.000 2.458 575 Y HA 0.181 4.733 4.550 0.003 0.000 0.256 575 Y C 1.627 177.487 175.900 -0.067 0.000 1.159 575 Y CA 0.007 58.097 58.100 -0.016 0.000 1.261 575 Y CB 0.527 39.046 38.460 0.098 0.000 1.119 575 Y HN 0.035 nan 8.280 nan 0.000 0.524 576 E N 0.412 120.624 120.200 0.019 0.000 2.170 576 E HA -0.006 4.346 4.350 0.003 0.000 0.191 576 E C -1.798 174.787 176.600 -0.026 0.000 0.981 576 E CA -0.250 56.134 56.400 -0.027 0.000 0.830 576 E CB -0.838 28.839 29.700 -0.038 0.000 0.775 576 E HN 0.248 nan 8.360 nan 0.000 0.470 577 P HA -0.020 nan 4.420 nan 0.000 0.268 577 P C -0.829 176.453 177.300 -0.031 0.000 1.205 577 P CA 0.561 63.643 63.100 -0.030 0.000 0.771 577 P CB 0.359 32.034 31.700 -0.042 0.000 0.858 578 D N -1.125 119.258 120.400 -0.028 0.000 2.837 578 D HA -0.174 4.468 4.640 0.003 0.000 0.230 578 D C -0.179 176.096 176.300 -0.041 0.000 1.152 578 D CA 1.273 55.254 54.000 -0.033 0.000 0.736 578 D CB -1.449 39.326 40.800 -0.042 0.000 1.084 578 D HN 0.518 nan 8.370 nan 0.000 0.429 579 A N -0.091 122.695 122.820 -0.057 0.000 2.475 579 A HA 0.800 5.122 4.320 0.003 0.000 0.301 579 A C 0.096 177.563 177.584 -0.195 0.000 1.059 579 A CA 0.285 52.270 52.037 -0.086 0.000 0.710 579 A CB 2.369 21.341 19.000 -0.047 0.000 1.288 579 A HN 0.444 nan 8.150 nan 0.000 0.408 580 S N 0.398 115.927 115.700 -0.285 0.000 2.688 580 S HA 0.631 5.102 4.470 0.003 0.000 0.275 580 S C -0.701 173.660 174.600 -0.397 0.000 1.175 580 S CA -0.216 57.594 58.200 -0.649 0.000 0.818 580 S CB 0.497 63.107 63.200 -0.984 0.000 1.157 580 S HN 1.052 nan 8.310 nan 0.000 0.482 581 E N 1.063 121.032 120.200 -0.386 0.000 2.246 581 E HA -0.122 4.230 4.350 0.003 0.000 0.173 581 E C -2.387 174.095 176.600 -0.197 0.000 1.532 581 E CA 0.571 56.749 56.400 -0.370 0.000 0.672 581 E CB -1.385 27.938 29.700 -0.629 0.000 1.078 581 E HN 0.539 nan 8.360 nan 0.000 0.338 582 P HA 0.027 nan 4.420 nan 0.000 0.276 582 P C -0.047 177.527 177.300 0.456 0.000 1.230 582 P CA -0.273 62.951 63.100 0.206 0.000 0.776 582 P CB 0.841 32.609 31.700 0.114 0.000 0.888 583 C N 5.142 124.735 119.300 0.488 0.000 2.369 583 C HA 0.590 5.052 4.460 0.003 0.000 0.358 583 C C 0.947 176.285 174.990 0.581 0.000 1.274 583 C CA -0.167 59.177 59.018 0.544 0.000 1.935 583 C CB -1.104 27.000 27.740 0.607 0.000 2.431 583 C HN 0.493 nan 8.230 nan 0.000 0.545 584 I N 1.352 122.188 120.570 0.443 0.000 2.582 584 I HA 0.770 4.942 4.170 0.003 0.000 0.292 584 I C -0.825 175.491 176.117 0.330 0.000 1.066 584 I CA -0.524 61.058 61.300 0.469 0.000 1.053 584 I CB 1.611 39.840 38.000 0.382 0.000 1.241 584 I HN 0.303 nan 8.210 nan 0.000 0.421 585 K N 3.845 124.516 120.400 0.452 0.000 2.512 585 K HA 0.464 4.786 4.320 0.003 0.000 0.263 585 K C -2.050 174.837 176.600 0.479 0.000 0.966 585 K CA -0.839 55.624 56.287 0.293 0.000 0.851 585 K CB 2.808 35.345 32.500 0.062 0.000 1.395 585 K HN 0.730 nan 8.250 nan 0.000 0.440 586 Y N 1.231 121.545 120.300 0.022 0.000 2.326 586 Y HA 0.456 5.008 4.550 0.003 0.000 0.329 586 Y C -1.717 174.109 175.900 -0.123 0.000 0.973 586 Y CA -0.730 57.412 58.100 0.070 0.000 1.162 586 Y CB 1.010 39.488 38.460 0.030 0.000 1.147 586 Y HN 0.488 nan 8.280 nan 0.000 0.456 587 Y N 4.263 124.541 120.300 -0.036 0.000 2.354 587 Y HA 0.262 4.814 4.550 0.003 0.000 0.330 587 Y C -0.323 175.471 175.900 -0.177 0.000 1.011 587 Y CA -1.504 56.585 58.100 -0.019 0.000 1.099 587 Y CB 1.520 40.092 38.460 0.186 0.000 1.179 587 Y HN 0.654 nan 8.280 nan 0.000 0.442 588 D N 2.985 123.350 120.400 -0.059 0.000 2.697 588 D HA -0.195 4.447 4.640 0.003 0.000 0.235 588 D C 1.243 177.441 176.300 -0.170 0.000 1.167 588 D CA 1.821 55.786 54.000 -0.059 0.000 0.656 588 D CB -0.892 39.938 40.800 0.050 0.000 1.025 588 D HN 1.169 nan 8.370 nan 0.000 0.419 589 G N -1.975 106.574 108.800 -0.419 0.000 2.184 589 G HA2 -0.303 3.659 3.960 0.003 0.000 0.264 589 G HA3 -0.303 3.659 3.960 0.003 0.000 0.264 589 G C 0.320 175.063 174.900 -0.261 0.000 0.975 589 G CA 0.371 45.302 45.100 -0.281 0.000 0.642 589 G HN 0.641 nan 8.290 nan 0.000 0.536 590 V N 0.901 120.584 119.914 -0.386 0.000 2.448 590 V HA 0.667 4.789 4.120 0.003 0.000 0.295 590 V C 0.358 176.362 176.094 -0.149 0.000 1.025 590 V CA -0.806 61.336 62.300 -0.263 0.000 0.859 590 V CB 1.984 33.612 31.823 -0.326 0.000 0.988 590 V HN 0.357 nan 8.190 nan 0.000 0.431 591 L N 5.590 126.817 121.223 0.007 0.000 2.264 591 L HA 0.566 4.908 4.340 0.003 0.000 0.289 591 L C -1.235 175.735 176.870 0.168 0.000 1.044 591 L CA -0.255 54.742 54.840 0.262 0.000 0.807 591 L CB 0.647 42.849 42.059 0.237 0.000 1.192 591 L HN 0.586 nan 8.230 nan 0.000 0.425 592 Y N 5.220 125.842 120.300 0.537 0.000 2.387 592 Y HA 0.595 5.147 4.550 0.003 0.000 0.336 592 Y C -0.296 175.977 175.900 0.621 0.000 1.067 592 Y CA -0.543 57.896 58.100 0.566 0.000 1.114 592 Y CB 1.789 40.588 38.460 0.566 0.000 1.208 592 Y HN 0.435 nan 8.280 nan 0.000 0.458 593 L N 4.918 126.507 121.223 0.609 0.000 2.438 593 L HA 0.678 5.020 4.340 0.003 0.000 0.270 593 L C -1.722 175.341 176.870 0.322 0.000 0.972 593 L CA -0.432 54.682 54.840 0.456 0.000 0.831 593 L CB 1.306 43.514 42.059 0.249 0.000 1.273 593 L HN 0.620 nan 8.230 nan 0.000 0.405 594 I N 3.537 124.307 120.570 0.334 0.000 2.466 594 I HA 0.385 4.557 4.170 0.003 0.000 0.289 594 I C 0.183 176.453 176.117 0.256 0.000 1.026 594 I CA -0.563 60.896 61.300 0.264 0.000 1.078 594 I CB 2.292 40.449 38.000 0.261 0.000 1.249 594 I HN 0.592 nan 8.210 nan 0.000 0.429 595 T N 2.644 117.313 114.554 0.191 0.000 2.918 595 T HA 0.439 4.791 4.350 0.003 0.000 0.283 595 T C -0.123 174.637 174.700 0.099 0.000 1.001 595 T CA -0.784 61.383 62.100 0.110 0.000 1.041 595 T CB 1.892 70.798 68.868 0.063 0.000 1.028 595 T HN 0.655 nan 8.240 nan 0.000 0.511 596 R N 0.423 120.935 120.500 0.020 0.000 2.368 596 R HA 0.560 4.902 4.340 0.003 0.000 0.302 596 R C 0.303 176.586 176.300 -0.029 0.000 1.002 596 R CA -0.617 55.478 56.100 -0.007 0.000 0.929 596 R CB 0.642 30.917 30.300 -0.041 0.000 1.073 596 R HN 0.929 nan 8.270 nan 0.000 0.464 597 G N 0.951 109.736 108.800 -0.025 0.000 2.372 597 G HA2 0.132 4.094 3.960 0.003 0.000 0.283 597 G HA3 0.132 4.094 3.960 0.003 0.000 0.283 597 G C 0.943 175.854 174.900 0.018 0.000 1.177 597 G CA -0.352 44.737 45.100 -0.018 0.000 0.842 597 G HN 0.809 nan 8.290 nan 0.000 0.503 598 T N -0.966 113.592 114.554 0.006 0.000 2.985 598 T HA 0.091 4.443 4.350 0.003 0.000 0.266 598 T C 0.927 175.682 174.700 0.093 0.000 1.076 598 T CA 0.436 62.572 62.100 0.060 0.000 1.135 598 T CB -0.120 68.758 68.868 0.016 0.000 0.890 598 T HN 0.765 nan 8.240 nan 0.000 0.480 599 R N -1.011 119.454 120.500 -0.059 0.000 2.680 599 R HA 0.605 4.947 4.340 0.003 0.000 0.269 599 R C 0.830 176.802 176.300 -0.547 0.000 1.026 599 R CA -0.684 55.279 56.100 -0.228 0.000 0.889 599 R CB 0.818 31.052 30.300 -0.111 0.000 1.241 599 R HN -0.036 nan 8.270 nan 0.000 0.463 600 G N 0.393 108.584 108.800 -1.015 0.000 2.650 600 G HA2 -0.169 3.793 3.960 0.003 0.000 0.214 600 G HA3 -0.169 3.793 3.960 0.003 0.000 0.214 600 G C 0.455 175.063 174.900 -0.486 0.000 1.136 600 G CA 0.680 45.046 45.100 -1.224 0.000 0.789 600 G HN 0.803 nan 8.290 nan 0.000 0.536 601 D N -0.653 119.557 120.400 -0.318 0.000 2.340 601 D HA 0.108 4.749 4.640 0.003 0.000 0.217 601 D C 0.908 177.125 176.300 -0.139 0.000 1.081 601 D CA -0.180 53.713 54.000 -0.179 0.000 0.842 601 D CB 0.368 41.093 40.800 -0.126 0.000 0.934 601 D HN 0.175 nan 8.370 nan 0.000 0.511 602 R N -0.094 120.311 120.500 -0.158 0.000 2.808 602 R HA 0.468 4.810 4.340 0.003 0.000 0.272 602 R C -0.326 175.910 176.300 -0.106 0.000 0.995 602 R CA -1.023 55.010 56.100 -0.112 0.000 0.917 602 R CB 2.040 32.285 30.300 -0.092 0.000 1.217 602 R HN -0.042 nan 8.270 nan 0.000 0.471 603 L N 1.709 122.884 121.223 -0.081 0.000 2.578 603 L HA 0.006 4.348 4.340 0.003 0.000 0.279 603 L C 1.102 177.945 176.870 -0.045 0.000 1.227 603 L CA 0.399 55.201 54.840 -0.064 0.000 0.900 603 L CB -0.098 41.921 42.059 -0.067 0.000 1.144 603 L HN 0.853 nan 8.230 nan 0.000 0.496 604 G N 1.839 110.624 108.800 -0.025 0.000 3.194 604 G HA2 0.242 4.204 3.960 0.003 0.000 0.160 604 G HA3 0.242 4.204 3.960 0.003 0.000 0.160 604 G C -0.375 174.556 174.900 0.052 0.000 1.267 604 G CA -0.473 44.621 45.100 -0.010 0.000 0.962 604 G HN 0.538 nan 8.290 nan 0.000 0.612 605 S N 0.282 116.030 115.700 0.080 0.000 2.642 605 S HA 0.343 4.815 4.470 0.003 0.000 0.308 605 S C 0.415 175.143 174.600 0.214 0.000 1.255 605 S CA 0.451 58.768 58.200 0.196 0.000 1.057 605 S CB 0.117 63.478 63.200 0.268 0.000 0.785 605 S HN 0.967 nan 8.310 nan 0.000 0.500 606 S N 2.531 118.272 115.700 0.067 0.000 2.599 606 S HA 0.773 5.245 4.470 0.003 0.000 0.287 606 S C -1.038 173.292 174.600 -0.451 0.000 1.105 606 S CA -1.067 56.957 58.200 -0.293 0.000 0.899 606 S CB 1.495 64.604 63.200 -0.151 0.000 1.100 606 S HN 0.508 nan 8.310 nan 0.000 0.482 607 L N 1.346 122.027 121.223 -0.903 0.000 2.346 607 L HA 0.796 5.137 4.340 0.003 0.000 0.274 607 L C -1.582 174.822 176.870 -0.777 0.000 1.007 607 L CA -0.073 54.374 54.840 -0.655 0.000 0.818 607 L CB 1.312 42.946 42.059 -0.709 0.000 1.284 607 L HN 0.959 nan 8.230 nan 0.000 0.424 608 H N 2.731 121.825 119.070 0.041 0.000 2.806 608 H HA 0.763 5.320 4.556 0.003 0.000 0.367 608 H C -0.994 174.641 175.328 0.512 0.000 1.136 608 H CA -0.789 55.387 56.048 0.214 0.000 1.178 608 H CB 1.537 31.162 29.762 -0.227 0.000 1.718 608 H HN 0.654 nan 8.280 nan 0.000 0.540 609 R N 0.667 121.511 120.500 0.574 0.000 2.750 609 R HA 0.855 5.197 4.340 0.003 0.000 0.281 609 R C -1.261 175.062 176.300 0.039 0.000 0.972 609 R CA -0.998 55.200 56.100 0.164 0.000 0.912 609 R CB 2.243 32.352 30.300 -0.317 0.000 1.187 609 R HN 0.479 nan 8.270 nan 0.000 0.464 610 S N 0.310 115.868 115.700 -0.237 0.000 2.548 610 S HA 0.392 4.864 4.470 0.003 0.000 0.276 610 S C -0.208 174.198 174.600 -0.324 0.000 1.129 610 S CA -0.898 57.026 58.200 -0.460 0.000 0.931 610 S CB 1.631 64.202 63.200 -1.049 0.000 1.068 610 S HN 0.796 nan 8.310 nan 0.000 0.480 611 R N 1.540 121.873 120.500 -0.278 0.000 2.362 611 R HA 0.186 4.527 4.340 0.003 0.000 0.227 611 R C -0.602 175.606 176.300 -0.154 0.000 0.905 611 R CA 0.262 56.255 56.100 -0.179 0.000 1.067 611 R CB 0.103 30.310 30.300 -0.154 0.000 1.078 611 R HN 0.657 nan 8.270 nan 0.000 0.516 612 D N -0.305 119.958 120.400 -0.228 0.000 2.819 612 D HA 0.108 4.750 4.640 0.003 0.000 0.326 612 D C 0.164 176.303 176.300 -0.268 0.000 1.408 612 D CA -0.621 53.256 54.000 -0.204 0.000 0.811 612 D CB -0.515 40.179 40.800 -0.177 0.000 1.148 612 D HN 0.102 nan 8.370 nan 0.000 0.457 613 I N 0.090 120.478 120.570 -0.303 0.000 6.532 613 I HA -0.251 3.921 4.170 0.003 0.000 0.126 613 I C 1.269 177.180 176.117 -0.344 0.000 1.811 613 I CA 0.729 61.804 61.300 -0.375 0.000 2.115 613 I CB -1.697 35.945 38.000 -0.595 0.000 3.474 613 I HN 0.525 nan 8.210 nan 0.000 0.192 614 G N -0.183 108.268 108.800 -0.581 0.000 2.159 614 G HA2 -0.257 3.705 3.960 0.003 0.000 0.227 614 G HA3 -0.257 3.705 3.960 0.003 0.000 0.227 614 G C 0.527 175.178 174.900 -0.416 0.000 0.986 614 G CA 0.395 45.090 45.100 -0.675 0.000 0.651 614 G HN 0.571 nan 8.290 nan 0.000 0.523 615 Q N -0.091 119.495 119.800 -0.357 0.000 2.083 615 Q HA 0.115 4.456 4.340 0.003 0.000 0.198 615 Q C 1.487 177.364 176.000 -0.204 0.000 0.969 615 Q CA 1.589 57.287 55.803 -0.176 0.000 0.838 615 Q CB 0.062 28.726 28.738 -0.123 0.000 0.900 615 Q HN 0.784 nan 8.270 nan 0.000 0.436 616 T N -2.786 111.539 114.554 -0.381 0.000 2.907 616 T HA 0.566 4.918 4.350 0.003 0.000 0.292 616 T C -1.414 173.004 174.700 -0.469 0.000 1.043 616 T CA -0.860 61.085 62.100 -0.258 0.000 1.003 616 T CB 1.347 70.137 68.868 -0.130 0.000 1.084 616 T HN 0.192 nan 8.240 nan 0.000 0.483 617 W N 0.014 121.315 121.300 0.001 0.000 3.032 617 W HA 0.568 5.230 4.660 0.003 0.000 0.335 617 W C -0.400 176.120 176.519 0.002 0.000 1.154 617 W CA -0.769 56.583 57.345 0.011 0.000 1.204 617 W CB 1.834 31.332 29.460 0.063 0.000 1.416 617 W HN 0.699 nan 8.180 nan 0.000 0.521 618 E N 1.408 121.739 120.200 0.218 0.000 2.179 618 E HA 0.672 5.024 4.350 0.003 0.000 0.275 618 E C -0.730 176.053 176.600 0.304 0.000 0.945 618 E CA -0.588 55.881 56.400 0.115 0.000 0.792 618 E CB 1.981 31.538 29.700 -0.238 0.000 1.125 618 E HN 0.237 nan 8.360 nan 0.000 0.397 619 S N 1.622 117.489 115.700 0.278 0.000 2.599 619 S HA 0.701 5.173 4.470 0.003 0.000 0.287 619 S C -1.246 173.303 174.600 -0.085 0.000 1.105 619 S CA -0.873 57.288 58.200 -0.066 0.000 0.899 619 S CB 1.221 64.140 63.200 -0.469 0.000 1.100 619 S HN 0.438 nan 8.310 nan 0.000 0.482 620 L N -0.868 120.033 121.223 -0.537 0.000 2.518 620 L HA 0.742 5.084 4.340 0.003 0.000 0.257 620 L C -0.909 175.596 176.870 -0.608 0.000 0.980 620 L CA -0.835 53.704 54.840 -0.502 0.000 0.837 620 L CB 1.715 43.345 42.059 -0.714 0.000 1.410 620 L HN 0.625 nan 8.230 nan 0.000 0.410 621 R N 1.268 121.572 120.500 -0.327 0.000 2.460 621 R HA 0.656 4.997 4.340 0.003 0.000 0.303 621 R C -1.212 174.901 176.300 -0.312 0.000 0.968 621 R CA -0.706 55.228 56.100 -0.277 0.000 0.889 621 R CB 0.900 31.206 30.300 0.010 0.000 1.123 621 R HN 0.640 nan 8.270 nan 0.000 0.455 622 F N 4.606 124.504 119.950 -0.087 0.000 2.529 622 F HA 0.224 4.753 4.527 0.003 0.000 0.365 622 F C -1.480 174.288 175.800 -0.054 0.000 1.102 622 F CA -1.773 56.202 58.000 -0.042 0.000 1.271 622 F CB 0.074 39.118 39.000 0.073 0.000 1.120 622 F HN 0.382 nan 8.300 nan 0.000 0.579 623 P HA 0.082 nan 4.420 nan 0.000 0.272 623 P C -0.573 176.677 177.300 -0.085 0.000 1.230 623 P CA 0.160 63.163 63.100 -0.162 0.000 0.788 623 P CB 0.262 31.759 31.700 -0.339 0.000 0.949 624 H N 0.017 119.105 119.070 0.029 0.000 2.886 624 H HA -0.144 4.413 4.556 0.003 0.000 0.294 624 H C -0.204 175.081 175.328 -0.071 0.000 1.246 624 H CA 0.548 56.587 56.048 -0.014 0.000 1.142 624 H CB -2.576 27.191 29.762 0.008 0.000 1.358 624 H HN 0.572 nan 8.280 nan 0.000 0.406 625 N N -1.950 116.746 118.700 -0.007 0.000 2.714 625 N HA -0.155 4.587 4.740 0.003 0.000 0.253 625 N C -0.027 175.430 175.510 -0.089 0.000 1.024 625 N CA 0.944 53.954 53.050 -0.066 0.000 0.726 625 N CB -1.408 37.005 38.487 -0.124 0.000 0.908 625 N HN 0.322 nan 8.380 nan 0.000 0.542 626 V N 2.210 122.023 119.914 -0.168 0.000 2.509 626 V HA 0.010 4.132 4.120 0.003 0.000 0.297 626 V C 1.035 176.936 176.094 -0.322 0.000 1.014 626 V CA 0.434 62.449 62.300 -0.474 0.000 1.127 626 V CB 0.105 31.614 31.823 -0.523 0.000 0.925 626 V HN 0.571 nan 8.190 nan 0.000 0.480 627 H N 2.782 121.488 119.070 -0.607 0.000 3.008 627 H HA 0.434 4.991 4.556 0.003 0.000 0.354 627 H C 0.398 175.531 175.328 -0.325 0.000 1.252 627 H CA -0.449 55.344 56.048 -0.425 0.000 1.117 627 H CB 0.998 30.470 29.762 -0.483 0.000 1.857 627 H HN 0.728 nan 8.280 nan 0.000 0.547 628 H N -1.609 117.383 119.070 -0.130 0.000 3.906 628 H HA -0.177 4.381 4.556 0.003 0.000 0.179 628 H C -0.201 175.081 175.328 -0.076 0.000 0.941 628 H CA 1.418 57.405 56.048 -0.102 0.000 1.232 628 H CB -0.763 28.924 29.762 -0.126 0.000 1.037 628 H HN 0.811 nan 8.280 nan 0.000 0.362 629 T N 1.096 115.641 114.554 -0.016 0.000 2.841 629 T HA 0.412 4.764 4.350 0.003 0.000 0.283 629 T C 0.346 175.086 174.700 0.066 0.000 1.000 629 T CA -0.018 62.111 62.100 0.048 0.000 0.977 629 T CB 1.407 70.300 68.868 0.043 0.000 0.979 629 T HN 0.327 nan 8.240 nan 0.000 0.446 630 T N 2.721 117.375 114.554 0.168 0.000 2.868 630 T HA 0.514 4.866 4.350 0.003 0.000 0.292 630 T C 0.307 175.164 174.700 0.261 0.000 1.028 630 T CA -0.729 61.502 62.100 0.217 0.000 1.059 630 T CB 0.343 69.407 68.868 0.326 0.000 0.991 630 T HN 0.514 nan 8.240 nan 0.000 0.531 631 L N 2.305 123.714 121.223 0.310 0.000 2.581 631 L HA 0.333 4.675 4.340 0.003 0.000 0.241 631 L C -2.248 174.921 176.870 0.498 0.000 1.265 631 L CA -2.138 52.910 54.840 0.347 0.000 0.954 631 L CB 0.983 43.212 42.059 0.283 0.000 1.269 631 L HN 0.501 nan 8.230 nan 0.000 0.475 632 P HA 0.159 nan 4.420 nan 0.000 0.269 632 P C -0.846 176.795 177.300 0.568 0.000 1.209 632 P CA 0.259 63.662 63.100 0.505 0.000 0.776 632 P CB 0.764 32.734 31.700 0.450 0.000 0.876 633 F N -0.704 119.460 119.950 0.356 0.000 2.711 633 F HA 0.839 5.368 4.527 0.003 0.000 0.313 633 F C -1.828 174.173 175.800 0.334 0.000 1.141 633 F CA -1.395 56.801 58.000 0.326 0.000 0.941 633 F CB 0.926 40.076 39.000 0.250 0.000 1.349 633 F HN 0.503 nan 8.300 nan 0.000 0.464 634 A N 1.473 124.519 122.820 0.376 0.000 2.527 634 A HA 0.720 5.042 4.320 0.003 0.000 0.293 634 A C -1.720 175.961 177.584 0.162 0.000 1.117 634 A CA -1.098 51.107 52.037 0.281 0.000 0.723 634 A CB 1.976 21.143 19.000 0.278 0.000 1.313 634 A HN 0.910 nan 8.150 nan 0.000 0.411 635 K N 1.003 121.215 120.400 -0.314 0.000 2.240 635 K HA 0.608 4.930 4.320 0.003 0.000 0.271 635 K C -1.623 174.762 176.600 -0.358 0.000 1.018 635 K CA -0.270 55.690 56.287 -0.545 0.000 0.874 635 K CB 1.090 32.912 32.500 -1.131 0.000 1.098 635 K HN 0.416 nan 8.250 nan 0.000 0.458 636 V N 4.769 124.585 119.914 -0.162 0.000 2.409 636 V HA 0.419 4.541 4.120 0.003 0.000 0.290 636 V C 0.765 176.815 176.094 -0.073 0.000 1.017 636 V CA 0.018 62.270 62.300 -0.079 0.000 0.841 636 V CB 0.575 32.388 31.823 -0.017 0.000 1.003 636 V HN 1.178 nan 8.190 nan 0.000 0.426 637 G N 4.936 113.700 108.800 -0.060 0.000 2.622 637 G HA2 -0.282 3.680 3.960 0.003 0.000 0.307 637 G HA3 -0.282 3.680 3.960 0.003 0.000 0.307 637 G C 0.397 175.266 174.900 -0.052 0.000 1.226 637 G CA 0.711 45.785 45.100 -0.042 0.000 0.997 637 G HN 0.628 nan 8.290 nan 0.000 0.551 638 D N 1.972 122.350 120.400 -0.037 0.000 2.339 638 D HA 0.224 4.866 4.640 0.003 0.000 0.217 638 D C 0.108 176.385 176.300 -0.039 0.000 1.050 638 D CA 0.540 54.526 54.000 -0.024 0.000 0.856 638 D CB 0.091 40.888 40.800 -0.006 0.000 0.922 638 D HN 0.318 nan 8.370 nan 0.000 0.518 639 D N 0.321 120.681 120.400 -0.065 0.000 2.168 639 D HA 0.279 4.921 4.640 0.003 0.000 0.246 639 D C 0.314 176.551 176.300 -0.105 0.000 1.050 639 D CA -0.419 53.535 54.000 -0.077 0.000 0.857 639 D CB 1.941 42.702 40.800 -0.065 0.000 1.169 639 D HN -0.065 nan 8.370 nan 0.000 0.453 640 L N 2.462 123.615 121.223 -0.115 0.000 2.305 640 L HA 0.407 4.749 4.340 0.003 0.000 0.281 640 L C 0.155 177.006 176.870 -0.031 0.000 1.085 640 L CA -0.455 54.334 54.840 -0.084 0.000 0.813 640 L CB 0.599 42.553 42.059 -0.174 0.000 1.157 640 L HN 0.190 nan 8.230 nan 0.000 0.436 641 I N 5.164 125.782 120.570 0.079 0.000 2.355 641 I HA 0.346 4.518 4.170 0.003 0.000 0.288 641 I C 0.067 176.285 176.117 0.170 0.000 0.999 641 I CA -0.291 61.054 61.300 0.075 0.000 1.163 641 I CB 1.304 39.376 38.000 0.121 0.000 1.316 641 I HN 0.607 nan 8.210 nan 0.000 0.454 642 M N 4.390 124.000 119.600 0.017 0.000 2.535 642 M HA 0.663 5.145 4.480 0.003 0.000 0.314 642 M C -1.775 174.492 176.300 -0.054 0.000 1.153 642 M CA -0.452 54.942 55.300 0.157 0.000 0.924 642 M CB 2.332 35.031 32.600 0.164 0.000 1.710 642 M HN 0.204 nan 8.290 nan 0.000 0.451 643 F N 0.210 120.182 119.950 0.037 0.000 2.546 643 F HA 0.896 5.425 4.527 0.003 0.000 0.320 643 F C 0.446 176.118 175.800 -0.213 0.000 1.076 643 F CA -0.440 57.379 58.000 -0.301 0.000 0.928 643 F CB 2.653 40.941 39.000 -1.187 0.000 1.189 643 F HN 0.861 nan 8.300 nan 0.000 0.465 644 G N 0.260 109.084 108.800 0.041 0.000 2.704 644 G HA2 0.607 4.569 3.960 0.003 0.000 0.293 644 G HA3 0.607 4.569 3.960 0.003 0.000 0.293 644 G C -1.909 173.162 174.900 0.285 0.000 1.421 644 G CA -0.864 44.368 45.100 0.221 0.000 0.870 644 G HN 0.548 nan 8.290 nan 0.000 0.492 645 S N 0.085 116.030 115.700 0.407 0.000 2.571 645 S HA 0.437 4.909 4.470 0.003 0.000 0.284 645 S C -0.306 174.533 174.600 0.399 0.000 1.128 645 S CA -0.915 57.503 58.200 0.363 0.000 0.970 645 S CB 1.766 65.166 63.200 0.334 0.000 1.039 645 S HN 0.912 nan 8.310 nan 0.000 0.485 646 E N 2.469 122.927 120.200 0.430 0.000 2.398 646 E HA 0.242 4.594 4.350 0.003 0.000 0.263 646 E C 0.272 176.970 176.600 0.164 0.000 1.046 646 E CA -0.698 55.884 56.400 0.304 0.000 0.908 646 E CB 0.612 30.515 29.700 0.338 0.000 0.963 646 E HN 0.323 nan 8.360 nan 0.000 0.431 647 R N 1.129 121.679 120.500 0.085 0.000 2.161 647 R HA 0.198 4.540 4.340 0.003 0.000 0.213 647 R C 0.285 176.504 176.300 -0.136 0.000 1.055 647 R CA 0.894 56.995 56.100 0.003 0.000 0.996 647 R CB -0.274 30.002 30.300 -0.040 0.000 0.901 647 R HN 0.627 nan 8.270 nan 0.000 0.456 648 A N 0.510 123.238 122.820 -0.154 0.000 2.594 648 A HA 0.371 4.693 4.320 0.003 0.000 0.291 648 A C -1.096 176.477 177.584 -0.018 0.000 1.105 648 A CA -0.714 51.185 52.037 -0.229 0.000 0.694 648 A CB 1.374 20.020 19.000 -0.591 0.000 1.291 648 A HN 0.101 nan 8.150 nan 0.000 0.410 649 E N 0.928 121.155 120.200 0.045 0.000 2.452 649 E HA 0.145 4.497 4.350 0.003 0.000 0.261 649 E C -0.286 176.380 176.600 0.111 0.000 0.987 649 E CA 0.518 56.983 56.400 0.109 0.000 0.926 649 E CB 0.042 29.830 29.700 0.146 0.000 0.934 649 E HN 0.542 nan 8.360 nan 0.000 0.452 650 N N 3.277 122.065 118.700 0.146 0.000 2.776 650 N HA -0.182 4.560 4.740 0.003 0.000 0.249 650 N C -0.503 175.091 175.510 0.139 0.000 1.111 650 N CA 1.307 54.446 53.050 0.149 0.000 0.711 650 N CB -1.042 37.517 38.487 0.120 0.000 1.065 650 N HN 0.666 nan 8.380 nan 0.000 0.556 651 E N -1.615 118.674 120.200 0.148 0.000 2.476 651 E HA 0.045 4.397 4.350 0.003 0.000 0.199 651 E C 1.347 177.986 176.600 0.065 0.000 1.021 651 E CA -0.406 56.068 56.400 0.122 0.000 0.907 651 E CB 0.249 30.012 29.700 0.106 0.000 0.974 651 E HN 0.443 nan 8.360 nan 0.000 0.489 652 W N 2.638 123.881 121.300 -0.095 0.000 2.355 652 W HA -0.099 4.563 4.660 0.003 0.000 0.309 652 W C 0.092 176.512 176.519 -0.166 0.000 1.206 652 W CA 1.149 58.349 57.345 -0.241 0.000 1.284 652 W CB 0.175 29.497 29.460 -0.229 0.000 1.145 652 W HN -0.071 nan 8.180 nan 0.000 0.502 653 E N 0.484 120.773 120.200 0.148 0.000 2.404 653 E HA 0.240 4.591 4.350 0.003 0.000 0.261 653 E C 0.241 176.870 176.600 0.049 0.000 1.074 653 E CA 0.123 56.563 56.400 0.068 0.000 0.917 653 E CB 0.573 30.302 29.700 0.048 0.000 0.965 653 E HN 0.091 nan 8.360 nan 0.000 0.433 654 A N 2.013 124.833 122.820 0.000 0.000 2.546 654 A HA 0.390 4.712 4.320 0.003 0.000 0.243 654 A C 1.413 178.965 177.584 -0.054 0.000 1.063 654 A CA 0.579 52.590 52.037 -0.042 0.000 0.757 654 A CB -0.714 18.294 19.000 0.013 0.000 0.991 654 A HN 0.903 nan 8.150 nan 0.000 0.503 655 G N 0.867 109.600 108.800 -0.112 0.000 2.184 655 G HA2 0.100 4.062 3.960 0.003 0.000 0.264 655 G HA3 0.100 4.062 3.960 0.003 0.000 0.264 655 G C 0.613 175.486 174.900 -0.045 0.000 0.975 655 G CA 0.544 45.596 45.100 -0.080 0.000 0.642 655 G HN 2.269 nan 8.290 nan 0.000 0.536 656 A N 1.724 124.534 122.820 -0.016 0.000 2.454 656 A HA 0.636 4.958 4.320 0.003 0.000 0.260 656 A C -0.821 176.786 177.584 0.039 0.000 1.106 656 A CA -0.369 51.687 52.037 0.033 0.000 0.780 656 A CB 0.320 19.368 19.000 0.079 0.000 1.044 656 A HN 0.330 nan 8.150 nan 0.000 0.498 657 P HA 0.199 nan 4.420 nan 0.000 0.274 657 P C -0.832 176.522 177.300 0.090 0.000 1.237 657 P CA -0.436 62.696 63.100 0.053 0.000 0.793 657 P CB 0.547 32.274 31.700 0.046 0.000 0.977 658 D N 0.718 121.184 120.400 0.110 0.000 2.455 658 D HA 0.084 4.726 4.640 0.003 0.000 0.241 658 D C -0.043 176.300 176.300 0.072 0.000 1.138 658 D CA 0.963 55.030 54.000 0.111 0.000 0.877 658 D CB -0.026 40.843 40.800 0.114 0.000 1.187 658 D HN 0.240 nan 8.370 nan 0.000 0.451 659 D N 2.427 122.848 120.400 0.034 0.000 2.432 659 D HA 0.165 4.807 4.640 0.003 0.000 0.265 659 D C -0.426 175.878 176.300 0.007 0.000 1.160 659 D CA -0.571 53.457 54.000 0.047 0.000 0.911 659 D CB 0.248 41.083 40.800 0.058 0.000 1.052 659 D HN 0.094 nan 8.370 nan 0.000 0.508 660 R N 1.385 121.925 120.500 0.067 0.000 2.943 660 R HA 0.351 4.693 4.340 0.003 0.000 0.246 660 R C 0.081 176.557 176.300 0.293 0.000 1.201 660 R CA -0.759 55.390 56.100 0.082 0.000 1.056 660 R CB 0.184 30.426 30.300 -0.097 0.000 1.243 660 R HN 0.357 nan 8.270 nan 0.000 0.498 661 Y N -1.297 119.199 120.300 0.327 0.000 4.668 661 Y HA -0.327 4.225 4.550 0.003 0.000 0.234 661 Y C 0.017 176.004 175.900 0.145 0.000 1.056 661 Y CA 1.486 59.700 58.100 0.191 0.000 2.025 661 Y CB -1.694 36.837 38.460 0.119 0.000 1.613 661 Y HN 0.603 nan 8.280 nan 0.000 0.653 662 K N -0.893 119.687 120.400 0.301 0.000 2.542 662 K HA 0.889 5.211 4.320 0.003 0.000 0.259 662 K C -0.565 176.136 176.600 0.169 0.000 0.932 662 K CA -0.567 55.834 56.287 0.190 0.000 0.820 662 K CB 1.930 34.535 32.500 0.174 0.000 1.345 662 K HN 0.155 nan 8.250 nan 0.000 0.432 663 A N 1.705 124.562 122.820 0.061 0.000 2.511 663 A HA 0.448 4.770 4.320 0.003 0.000 0.242 663 A C 0.005 177.648 177.584 0.098 0.000 1.069 663 A CA 0.546 52.597 52.037 0.024 0.000 0.763 663 A CB -0.315 18.707 19.000 0.037 0.000 1.001 663 A HN 0.976 nan 8.150 nan 0.000 0.498 664 S N 0.961 116.700 115.700 0.065 0.000 2.688 664 S HA 0.661 5.133 4.470 0.003 0.000 0.275 664 S C -1.260 173.259 174.600 -0.137 0.000 1.175 664 S CA -0.645 57.604 58.200 0.081 0.000 0.818 664 S CB 0.703 64.013 63.200 0.183 0.000 1.157 664 S HN 0.549 nan 8.310 nan 0.000 0.482 665 Y N 1.745 122.098 120.300 0.088 0.000 2.919 665 Y HA 0.445 4.997 4.550 0.003 0.000 0.341 665 Y C -2.480 173.440 175.900 0.034 0.000 1.045 665 Y CA -2.039 56.086 58.100 0.041 0.000 1.218 665 Y CB 1.193 39.667 38.460 0.023 0.000 1.137 665 Y HN 0.426 nan 8.280 nan 0.000 0.577 666 P HA 0.067 nan 4.420 nan 0.000 0.268 666 P C -0.446 176.879 177.300 0.042 0.000 1.204 666 P CA -0.047 63.108 63.100 0.091 0.000 0.768 666 P CB 0.919 32.666 31.700 0.078 0.000 0.842 667 R N 1.299 121.785 120.500 -0.023 0.000 2.357 667 R HA 0.418 4.760 4.340 0.003 0.000 0.296 667 R C 0.314 176.364 176.300 -0.417 0.000 1.052 667 R CA -0.176 55.743 56.100 -0.301 0.000 0.988 667 R CB 0.369 30.348 30.300 -0.536 0.000 1.025 667 R HN 0.387 nan 8.270 nan 0.000 0.469 668 T N 3.728 118.003 114.554 -0.464 0.000 2.794 668 T HA 0.473 4.825 4.350 0.003 0.000 0.280 668 T C -0.708 173.609 174.700 -0.638 0.000 0.987 668 T CA -0.300 61.585 62.100 -0.358 0.000 0.993 668 T CB 0.437 69.236 68.868 -0.115 0.000 0.939 668 T HN 0.235 nan 8.240 nan 0.000 0.449 669 F N 2.080 121.828 119.950 -0.337 0.000 2.579 669 F HA 0.677 5.205 4.527 0.003 0.000 0.324 669 F C -0.218 175.500 175.800 -0.137 0.000 1.058 669 F CA -1.236 56.568 58.000 -0.327 0.000 0.944 669 F CB 1.456 40.069 39.000 -0.645 0.000 1.245 669 F HN 0.623 nan 8.300 nan 0.000 0.477 670 Y N 0.315 120.556 120.300 -0.099 0.000 2.576 670 Y HA 0.931 5.483 4.550 0.003 0.000 0.346 670 Y C -1.469 174.270 175.900 -0.268 0.000 1.018 670 Y CA -1.508 56.355 58.100 -0.395 0.000 1.050 670 Y CB 1.648 39.494 38.460 -1.024 0.000 1.280 670 Y HN 0.820 nan 8.280 nan 0.000 0.474 671 A N 2.965 125.359 122.820 -0.711 0.000 2.572 671 A HA 0.796 5.117 4.320 0.003 0.000 0.295 671 A C -1.517 175.692 177.584 -0.626 0.000 1.072 671 A CA -1.273 50.178 52.037 -0.977 0.000 0.691 671 A CB 1.713 19.793 19.000 -1.532 0.000 1.291 671 A HN 0.862 nan 8.150 nan 0.000 0.404 672 R N 0.004 120.181 120.500 -0.538 0.000 2.532 672 R HA 0.720 5.061 4.340 0.003 0.000 0.295 672 R C -1.312 174.800 176.300 -0.313 0.000 0.968 672 R CA -0.544 55.371 56.100 -0.308 0.000 0.916 672 R CB 1.920 32.098 30.300 -0.203 0.000 1.124 672 R HN 0.612 nan 8.270 nan 0.000 0.463 673 L N 2.274 123.366 121.223 -0.218 0.000 2.441 673 L HA 0.344 4.686 4.340 0.003 0.000 0.270 673 L C -0.960 175.843 176.870 -0.111 0.000 0.973 673 L CA -0.667 54.063 54.840 -0.184 0.000 0.842 673 L CB 1.735 43.685 42.059 -0.181 0.000 1.239 673 L HN 0.579 nan 8.230 nan 0.000 0.406 674 N N 3.456 122.107 118.700 -0.083 0.000 2.452 674 N HA 0.035 4.777 4.740 0.003 0.000 0.266 674 N C 1.048 176.597 175.510 0.064 0.000 1.175 674 N CA 0.165 53.202 53.050 -0.022 0.000 0.945 674 N CB 1.803 40.276 38.487 -0.025 0.000 1.063 674 N HN 0.652 nan 8.380 nan 0.000 0.472 675 V N 1.995 121.981 119.914 0.121 0.000 2.667 675 V HA -0.113 4.009 4.120 0.003 0.000 0.252 675 V C 1.457 177.716 176.094 0.274 0.000 1.065 675 V CA 1.442 63.924 62.300 0.304 0.000 1.083 675 V CB -0.671 31.331 31.823 0.297 0.000 0.692 675 V HN 0.572 nan 8.190 nan 0.000 0.468 676 N N 1.613 120.400 118.700 0.145 0.000 2.142 676 N HA -0.113 4.629 4.740 0.003 0.000 0.186 676 N C 1.619 177.203 175.510 0.124 0.000 1.023 676 N CA 1.556 54.667 53.050 0.101 0.000 0.852 676 N CB -0.335 38.183 38.487 0.053 0.000 0.998 676 N HN 0.488 nan 8.380 nan 0.000 0.424 677 N N 0.196 118.966 118.700 0.117 0.000 2.331 677 N HA -0.141 4.601 4.740 0.003 0.000 0.180 677 N C -0.158 175.457 175.510 0.176 0.000 1.019 677 N CA 0.256 53.365 53.050 0.099 0.000 0.881 677 N CB -0.270 38.237 38.487 0.033 0.000 0.972 677 N HN 0.354 nan 8.380 nan 0.000 0.435 678 W N 2.167 123.446 121.300 -0.034 0.000 7.193 678 W HA -0.262 4.400 4.660 0.003 0.000 0.423 678 W C -0.832 175.650 176.519 -0.062 0.000 1.702 678 W CA 0.434 57.752 57.345 -0.044 0.000 1.167 678 W CB -1.189 28.253 29.460 -0.029 0.000 2.934 678 W HN 0.039 nan 8.180 nan 0.000 1.576 679 N N 1.535 120.115 118.700 -0.200 0.000 2.578 679 N HA 0.412 5.154 4.740 0.003 0.000 0.282 679 N C -0.007 175.374 175.510 -0.215 0.000 1.119 679 N CA 0.443 53.375 53.050 -0.197 0.000 0.948 679 N CB 1.401 39.844 38.487 -0.074 0.000 1.546 679 N HN 0.071 nan 8.380 nan 0.000 0.525 680 A N 2.327 124.998 122.820 -0.248 0.000 2.348 680 A HA 0.154 4.476 4.320 0.003 0.000 0.224 680 A C 1.054 178.590 177.584 -0.080 0.000 1.227 680 A CA 0.108 52.051 52.037 -0.156 0.000 0.885 680 A CB 0.103 19.016 19.000 -0.144 0.000 0.933 680 A HN 0.611 nan 8.150 nan 0.000 0.506 681 D N 1.258 121.604 120.400 -0.089 0.000 2.149 681 D HA -0.142 4.500 4.640 0.003 0.000 0.194 681 D C 0.105 176.392 176.300 -0.023 0.000 1.001 681 D CA 1.451 55.418 54.000 -0.055 0.000 0.849 681 D CB -0.024 40.746 40.800 -0.049 0.000 0.939 681 D HN 0.380 nan 8.370 nan 0.000 0.449 682 D N -0.119 120.257 120.400 -0.041 0.000 2.643 682 D HA 0.150 4.792 4.640 0.003 0.000 0.244 682 D C 0.513 176.760 176.300 -0.089 0.000 1.257 682 D CA -0.368 53.615 54.000 -0.029 0.000 0.831 682 D CB 0.083 40.864 40.800 -0.031 0.000 1.043 682 D HN 0.245 nan 8.370 nan 0.000 0.488 683 I N 1.162 121.659 120.570 -0.123 0.000 2.710 683 I HA -0.082 4.089 4.170 0.003 0.000 0.286 683 I C -0.037 175.869 176.117 -0.351 0.000 1.181 683 I CA 0.392 61.514 61.300 -0.297 0.000 1.430 683 I CB 0.535 38.317 38.000 -0.365 0.000 1.367 683 I HN -0.121 nan 8.210 nan 0.000 0.577 684 E N 7.069 126.936 120.200 -0.554 0.000 2.101 684 E HA 0.165 4.517 4.350 0.003 0.000 0.260 684 E C -1.701 174.513 176.600 -0.643 0.000 0.897 684 E CA -0.417 55.618 56.400 -0.609 0.000 0.744 684 E CB 0.709 29.801 29.700 -1.013 0.000 1.140 684 E HN 0.492 nan 8.360 nan 0.000 0.419 685 W N 2.934 124.095 121.300 -0.232 0.000 2.388 685 W HA 0.229 4.891 4.660 0.003 0.000 0.308 685 W C -0.269 176.150 176.519 -0.166 0.000 1.263 685 W CA -0.593 56.563 57.345 -0.315 0.000 1.286 685 W CB 0.721 29.873 29.460 -0.513 0.000 1.294 685 W HN 0.195 nan 8.180 nan 0.000 0.493 686 V N 4.622 124.502 119.914 -0.057 0.000 2.347 686 V HA 0.077 4.199 4.120 0.003 0.000 0.280 686 V C 0.124 176.205 176.094 -0.022 0.000 1.021 686 V CA -1.095 61.168 62.300 -0.060 0.000 0.847 686 V CB 0.920 32.614 31.823 -0.215 0.000 0.990 686 V HN 0.410 nan 8.190 nan 0.000 0.444 687 N N 4.672 123.240 118.700 -0.221 0.000 2.416 687 N HA 0.199 4.941 4.740 0.003 0.000 0.265 687 N C 0.628 175.998 175.510 -0.233 0.000 1.195 687 N CA -0.057 52.657 53.050 -0.560 0.000 0.943 687 N CB 0.615 38.627 38.487 -0.792 0.000 1.115 687 N HN 0.720 nan 8.380 nan 0.000 0.481 688 I N -0.417 120.017 120.570 -0.227 0.000 4.139 688 I HA 0.345 4.517 4.170 0.003 0.000 0.320 688 I C 0.519 176.574 176.117 -0.102 0.000 1.290 688 I CA -0.211 61.010 61.300 -0.132 0.000 1.253 688 I CB 0.464 38.299 38.000 -0.274 0.000 1.122 688 I HN 0.348 nan 8.210 nan 0.000 0.421 689 T N 0.340 114.814 114.554 -0.135 0.000 2.885 689 T HA 0.384 4.736 4.350 0.003 0.000 0.322 689 T C -2.041 172.631 174.700 -0.046 0.000 1.387 689 T CA -0.492 61.602 62.100 -0.010 0.000 1.041 689 T CB 2.067 71.012 68.868 0.128 0.000 1.287 689 T HN 0.062 nan 8.240 nan 0.000 0.491 690 D N 2.450 122.852 120.400 0.003 0.000 2.248 690 D HA 0.665 5.307 4.640 0.003 0.000 0.246 690 D C -0.297 176.021 176.300 0.030 0.000 1.027 690 D CA -0.272 53.739 54.000 0.020 0.000 0.853 690 D CB 2.004 42.838 40.800 0.057 0.000 1.243 690 D HN 0.335 nan 8.370 nan 0.000 0.462 691 Q N 0.324 120.132 119.800 0.015 0.000 2.427 691 Q HA 0.657 4.999 4.340 0.003 0.000 0.232 691 Q C -0.483 175.449 176.000 -0.114 0.000 1.018 691 Q CA -0.624 55.115 55.803 -0.106 0.000 0.965 691 Q CB 1.566 30.236 28.738 -0.113 0.000 1.232 691 Q HN 0.406 nan 8.270 nan 0.000 0.510 692 I N 0.896 121.309 120.570 -0.262 0.000 2.404 692 I HA 0.279 4.451 4.170 0.003 0.000 0.293 692 I C -1.238 174.727 176.117 -0.252 0.000 0.992 692 I CA -0.972 60.077 61.300 -0.418 0.000 1.149 692 I CB 1.210 38.810 38.000 -0.667 0.000 1.315 692 I HN 0.496 nan 8.210 nan 0.000 0.446 693 Y N 6.118 126.231 120.300 -0.312 0.000 2.335 693 Y HA 0.209 4.761 4.550 0.004 0.000 0.339 693 Y C 1.027 176.800 175.900 -0.212 0.000 0.987 693 Y CA -0.122 57.852 58.100 -0.209 0.000 1.140 693 Y CB 1.182 39.572 38.460 -0.116 0.000 1.173 693 Y HN 0.589 nan 8.280 nan 0.000 0.486 694 Q N 4.444 123.795 119.800 -0.748 0.000 2.020 694 Q HA 0.033 4.374 4.340 0.003 0.000 0.198 694 Q C 1.371 176.983 176.000 -0.646 0.000 0.974 694 Q CA 2.076 57.529 55.803 -0.584 0.000 0.829 694 Q CB -0.300 28.172 28.738 -0.442 0.000 0.894 694 Q HN 1.253 nan 8.270 nan 0.000 0.433 695 G N -1.562 106.596 108.800 -1.071 0.000 2.176 695 G HA2 -0.248 3.714 3.960 0.003 0.000 0.232 695 G HA3 -0.248 3.714 3.960 0.003 0.000 0.232 695 G C 0.852 175.650 174.900 -0.170 0.000 0.986 695 G CA 0.683 45.408 45.100 -0.624 0.000 0.643 695 G HN 0.590 nan 8.290 nan 0.000 0.522 696 G N 0.252 108.949 108.800 -0.172 0.000 2.443 696 G HA2 0.363 4.325 3.960 0.003 0.000 0.219 696 G HA3 0.363 4.325 3.960 0.003 0.000 0.219 696 G C 0.935 175.955 174.900 0.200 0.000 1.131 696 G CA 1.340 46.450 45.100 0.016 0.000 0.775 696 G HN 1.536 nan 8.290 nan 0.000 0.547 697 I N -4.397 116.220 120.570 0.078 0.000 3.145 697 I HA 0.570 4.742 4.170 0.003 0.000 0.313 697 I C 1.074 177.132 176.117 -0.099 0.000 1.122 697 I CA -1.103 60.287 61.300 0.150 0.000 0.987 697 I CB 1.910 39.986 38.000 0.126 0.000 1.236 697 I HN -0.211 nan 8.210 nan 0.000 0.453 698 V N 2.050 121.824 119.914 -0.233 0.000 2.515 698 V HA -0.067 4.055 4.120 0.003 0.000 0.250 698 V C 1.214 177.293 176.094 -0.025 0.000 1.058 698 V CA 1.410 63.481 62.300 -0.382 0.000 1.064 698 V CB -0.768 30.897 31.823 -0.264 0.000 0.675 698 V HN 0.787 nan 8.190 nan 0.000 0.461 699 N N 0.802 119.555 118.700 0.088 0.000 2.482 699 N HA 0.117 4.859 4.740 0.003 0.000 0.260 699 N C -0.389 175.288 175.510 0.278 0.000 1.236 699 N CA 0.472 53.621 53.050 0.166 0.000 0.938 699 N CB 1.250 39.863 38.487 0.211 0.000 1.128 699 N HN 0.323 nan 8.380 nan 0.000 0.448 700 S N -0.800 115.040 115.700 0.234 0.000 2.532 700 S HA 0.507 4.979 4.470 0.003 0.000 0.299 700 S C 0.760 175.455 174.600 0.159 0.000 1.105 700 S CA -0.745 57.599 58.200 0.240 0.000 1.018 700 S CB 1.224 64.495 63.200 0.118 0.000 1.021 700 S HN 0.608 nan 8.310 nan 0.000 0.483 701 G N 2.496 111.325 108.800 0.050 0.000 2.880 701 G HA2 0.170 4.132 3.960 0.003 0.000 0.209 701 G HA3 0.170 4.132 3.960 0.003 0.000 0.209 701 G C 0.224 175.052 174.900 -0.121 0.000 1.157 701 G CA 0.053 45.080 45.100 -0.121 0.000 0.779 701 G HN 0.667 nan 8.290 nan 0.000 0.539 702 V N 1.239 121.144 119.914 -0.016 0.000 2.599 702 V HA 0.453 4.575 4.120 0.003 0.000 0.300 702 V C 1.413 177.585 176.094 0.131 0.000 1.034 702 V CA 0.976 63.299 62.300 0.039 0.000 1.115 702 V CB -0.077 31.790 31.823 0.073 0.000 0.934 702 V HN 0.806 nan 8.190 nan 0.000 0.485 703 G N 3.842 112.795 108.800 0.255 0.000 2.554 703 G HA2 -0.066 3.896 3.960 0.003 0.000 0.253 703 G HA3 -0.066 3.896 3.960 0.003 0.000 0.253 703 G C 0.456 175.538 174.900 0.302 0.000 1.172 703 G CA 0.164 45.499 45.100 0.392 0.000 0.950 703 G HN 2.212 nan 8.290 nan 0.000 0.557 704 V N -1.984 118.120 119.914 0.317 0.000 5.176 704 V HA 0.068 4.190 4.120 0.003 0.000 0.252 704 V C 1.293 177.605 176.094 0.364 0.000 0.665 704 V CA 2.058 64.563 62.300 0.341 0.000 0.654 704 V CB -2.028 30.001 31.823 0.343 0.000 0.440 704 V HN 2.516 nan 8.190 nan 0.000 0.806 705 G N -0.546 108.497 108.800 0.405 0.000 2.630 705 G HA2 0.682 4.644 3.960 0.003 0.000 0.223 705 G HA3 0.682 4.644 3.960 0.003 0.000 0.223 705 G C -0.138 174.985 174.900 0.371 0.000 1.434 705 G CA -0.129 45.161 45.100 0.316 0.000 1.057 705 G HN 1.583 nan 8.290 nan 0.000 0.570 706 S N -2.685 113.212 115.700 0.329 0.000 2.547 706 S HA 0.550 5.022 4.470 0.003 0.000 0.270 706 S C -1.615 173.178 174.600 0.323 0.000 1.150 706 S CA -0.482 57.903 58.200 0.309 0.000 0.850 706 S CB 1.802 65.138 63.200 0.227 0.000 1.118 706 S HN 0.615 nan 8.310 nan 0.000 0.461 707 V N 3.488 123.580 119.914 0.296 0.000 2.588 707 V HA 0.805 4.927 4.120 0.003 0.000 0.304 707 V C -0.453 175.790 176.094 0.247 0.000 1.042 707 V CA -0.501 61.968 62.300 0.283 0.000 0.877 707 V CB 1.628 33.648 31.823 0.328 0.000 0.996 707 V HN 0.915 nan 8.190 nan 0.000 0.425 708 V N 2.791 122.867 119.914 0.270 0.000 3.007 708 V HA 0.836 4.957 4.120 0.003 0.000 0.311 708 V C -0.908 175.395 176.094 0.347 0.000 1.120 708 V CA -0.807 61.652 62.300 0.265 0.000 0.980 708 V CB 2.114 34.048 31.823 0.185 0.000 1.033 708 V HN 0.462 nan 8.190 nan 0.000 0.429 709 V N 2.754 122.853 119.914 0.308 0.000 2.459 709 V HA 0.602 4.724 4.120 0.003 0.000 0.295 709 V C -0.094 176.170 176.094 0.284 0.000 1.029 709 V CA -0.460 62.035 62.300 0.324 0.000 0.874 709 V CB 1.569 33.546 31.823 0.256 0.000 0.985 709 V HN 1.041 nan 8.190 nan 0.000 0.438 710 K N 4.231 124.844 120.400 0.356 0.000 2.463 710 K HA 0.406 4.728 4.320 0.003 0.000 0.255 710 K C -0.401 176.362 176.600 0.272 0.000 0.942 710 K CA -0.444 55.988 56.287 0.242 0.000 0.814 710 K CB 1.202 33.773 32.500 0.118 0.000 1.122 710 K HN 0.832 nan 8.250 nan 0.000 0.425 711 D N 2.089 122.597 120.400 0.179 0.000 3.608 711 D HA -0.287 4.355 4.640 0.003 0.000 0.152 711 D C -0.031 176.346 176.300 0.128 0.000 0.971 711 D CA 1.118 55.208 54.000 0.150 0.000 1.072 711 D CB -0.412 40.488 40.800 0.166 0.000 0.507 711 D HN 0.662 nan 8.370 nan 0.000 0.520 712 N N 0.558 119.308 118.700 0.084 0.000 2.376 712 N HA 0.185 4.927 4.740 0.003 0.000 0.249 712 N C -1.016 174.287 175.510 -0.345 0.000 1.140 712 N CA 0.183 53.166 53.050 -0.111 0.000 0.870 712 N CB -0.076 38.302 38.487 -0.183 0.000 1.124 712 N HN 0.251 nan 8.380 nan 0.000 0.505 713 Y N -0.279 120.045 120.300 0.039 0.000 2.462 713 Y HA 0.486 5.038 4.550 0.003 0.000 0.346 713 Y C -0.074 175.794 175.900 -0.053 0.000 0.976 713 Y CA -0.878 57.173 58.100 -0.081 0.000 1.044 713 Y CB 2.114 40.445 38.460 -0.215 0.000 1.230 713 Y HN -0.121 nan 8.280 nan 0.000 0.455 714 I N 2.770 123.348 120.570 0.014 0.000 2.525 714 I HA 0.475 4.647 4.170 0.003 0.000 0.301 714 I C -1.650 174.402 176.117 -0.107 0.000 0.992 714 I CA -0.843 60.524 61.300 0.112 0.000 1.162 714 I CB 1.142 39.283 38.000 0.234 0.000 1.332 714 I HN 0.581 nan 8.210 nan 0.000 0.458 715 Y N 6.373 126.751 120.300 0.129 0.000 2.338 715 Y HA 0.322 4.874 4.550 0.003 0.000 0.333 715 Y C -1.124 174.784 175.900 0.014 0.000 0.968 715 Y CA -0.629 57.523 58.100 0.086 0.000 1.123 715 Y CB 1.472 40.002 38.460 0.117 0.000 1.165 715 Y HN 0.399 nan 8.280 nan 0.000 0.452 716 Y N 4.745 124.951 120.300 -0.157 0.000 2.417 716 Y HA 0.609 5.161 4.550 0.003 0.000 0.336 716 Y C -1.150 174.833 175.900 0.138 0.000 0.961 716 Y CA -1.904 56.027 58.100 -0.282 0.000 1.215 716 Y CB 0.713 38.562 38.460 -1.018 0.000 1.120 716 Y HN 0.652 nan 8.280 nan 0.000 0.499 717 M N 8.799 128.392 119.600 -0.011 0.000 2.113 717 M HA 0.468 4.950 4.480 0.003 0.000 0.352 717 M C -1.222 175.023 176.300 -0.092 0.000 1.170 717 M CA -0.275 54.999 55.300 -0.043 0.000 1.053 717 M CB 0.702 33.275 32.600 -0.046 0.000 1.601 717 M HN 0.613 nan 8.290 nan 0.000 0.459 718 F N -0.083 119.606 119.950 -0.436 0.000 2.741 718 F HA 0.908 5.437 4.527 0.003 0.000 0.313 718 F C -0.277 175.418 175.800 -0.175 0.000 1.153 718 F CA -1.461 56.315 58.000 -0.374 0.000 0.931 718 F CB 0.702 39.272 39.000 -0.716 0.000 1.335 718 F HN 0.524 nan 8.300 nan 0.000 0.460 719 G N -0.371 108.325 108.800 -0.173 0.000 2.507 719 G HA2 0.573 4.535 3.960 0.003 0.000 0.271 719 G HA3 0.573 4.535 3.960 0.003 0.000 0.271 719 G C -0.666 174.082 174.900 -0.255 0.000 1.189 719 G CA -0.420 44.539 45.100 -0.235 0.000 0.859 719 G HN 1.303 nan 8.290 nan 0.000 0.542 720 G N -0.165 108.543 108.800 -0.153 0.000 2.720 720 G HA2 0.587 4.549 3.960 0.003 0.000 0.295 720 G HA3 0.587 4.549 3.960 0.003 0.000 0.295 720 G C -0.911 173.926 174.900 -0.104 0.000 1.437 720 G CA -0.624 44.348 45.100 -0.212 0.000 0.886 720 G HN 0.574 nan 8.290 nan 0.000 0.509 721 E N -0.791 119.296 120.200 -0.189 0.000 2.518 721 E HA 0.595 4.947 4.350 0.003 0.000 0.248 721 E C -0.661 175.779 176.600 -0.267 0.000 1.028 721 E CA -0.666 55.600 56.400 -0.222 0.000 0.922 721 E CB 1.420 30.959 29.700 -0.268 0.000 1.299 721 E HN 0.657 nan 8.360 nan 0.000 0.457 722 D N -1.910 118.299 120.400 -0.317 0.000 2.732 722 D HA 0.179 4.820 4.640 0.003 0.000 0.292 722 D C 0.206 176.188 176.300 -0.530 0.000 1.135 722 D CA -0.542 53.192 54.000 -0.443 0.000 1.071 722 D CB 0.221 40.819 40.800 -0.336 0.000 1.457 722 D HN 0.335 nan 8.370 nan 0.000 0.547 723 H N -1.102 117.688 119.070 -0.467 0.000 2.533 723 H HA 0.186 4.743 4.556 0.003 0.000 0.271 723 H C -0.263 174.852 175.328 -0.354 0.000 1.000 723 H CA 0.035 55.837 56.048 -0.410 0.000 1.149 723 H CB -0.293 29.255 29.762 -0.357 0.000 1.375 723 H HN 0.185 nan 8.280 nan 0.000 0.582 724 F N 1.884 121.763 119.950 -0.117 0.000 2.438 724 F HA 0.098 4.628 4.527 0.004 0.000 0.360 724 F C 1.215 176.784 175.800 -0.386 0.000 1.118 724 F CA -0.998 56.888 58.000 -0.190 0.000 1.164 724 F CB 0.051 38.969 39.000 -0.137 0.000 1.131 724 F HN -0.029 nan 8.300 nan 0.000 0.527 725 N N 5.948 124.369 118.700 -0.464 0.000 2.492 725 N HA 0.039 4.781 4.740 0.003 0.000 0.262 725 N C -1.590 173.294 175.510 -1.043 0.000 1.202 725 N CA -1.043 51.462 53.050 -0.910 0.000 0.926 725 N CB 1.322 38.823 38.487 -1.644 0.000 1.078 725 N HN 0.222 nan 8.380 nan 0.000 0.454 726 P HA 0.003 nan 4.420 nan 0.000 0.245 726 P C -0.546 176.610 177.300 -0.239 0.000 1.212 726 P CA 0.353 63.216 63.100 -0.396 0.000 0.774 726 P CB -0.215 31.424 31.700 -0.101 0.000 0.999 727 W N -1.111 120.189 121.300 0.001 0.000 5.538 727 W HA -0.196 4.469 4.660 0.008 0.000 0.377 727 W C 1.111 177.621 176.519 -0.015 0.000 1.406 727 W CA 0.204 57.557 57.345 0.012 0.000 0.940 727 W CB -3.139 26.322 29.460 0.003 0.000 2.536 727 W HN -0.063 nan 8.180 nan 0.000 1.504 728 T N -1.294 113.295 114.554 0.058 0.000 2.684 728 T HA -0.224 4.128 4.350 0.003 0.000 0.267 728 T C 0.447 175.024 174.700 -0.205 0.000 1.036 728 T CA 1.463 63.487 62.100 -0.127 0.000 1.148 728 T CB -0.265 68.418 68.868 -0.308 0.000 0.863 728 T HN 0.075 nan 8.240 nan 0.000 0.436 729 Y N 1.369 121.789 120.300 0.201 0.000 2.594 729 Y HA 0.572 5.123 4.550 0.002 0.000 0.342 729 Y C 0.961 177.005 175.900 0.239 0.000 1.010 729 Y CA -0.426 57.786 58.100 0.188 0.000 1.270 729 Y CB 0.383 38.946 38.460 0.171 0.000 1.125 729 Y HN 0.327 nan 8.280 nan 0.000 0.513 730 G N 2.051 111.026 108.800 0.291 0.000 2.347 730 G HA2 -0.104 3.858 3.960 0.003 0.000 0.224 730 G HA3 -0.104 3.858 3.960 0.003 0.000 0.224 730 G C -0.523 174.454 174.900 0.127 0.000 1.318 730 G CA -0.191 45.035 45.100 0.209 0.000 1.016 730 G HN 0.419 nan 8.290 nan 0.000 0.469 731 D N -0.366 120.072 120.400 0.063 0.000 2.349 731 D HA 0.164 4.806 4.640 0.003 0.000 0.224 731 D C 0.773 177.117 176.300 0.073 0.000 1.029 731 D CA 0.430 54.446 54.000 0.026 0.000 0.879 731 D CB 0.252 41.014 40.800 -0.063 0.000 0.906 731 D HN 0.242 nan 8.370 nan 0.000 0.528 732 N N 0.033 118.812 118.700 0.132 0.000 2.642 732 N HA 0.037 4.779 4.740 0.003 0.000 0.308 732 N C 0.655 176.220 175.510 0.092 0.000 1.914 732 N CA 0.218 53.336 53.050 0.114 0.000 0.893 732 N CB 0.505 39.072 38.487 0.135 0.000 1.322 732 N HN 0.059 nan 8.380 nan 0.000 0.490 733 S N -1.164 114.579 115.700 0.073 0.000 2.419 733 S HA -0.099 4.373 4.470 0.003 0.000 0.233 733 S C 1.885 176.516 174.600 0.051 0.000 1.016 733 S CA 0.883 59.108 58.200 0.042 0.000 0.974 733 S CB -0.134 63.096 63.200 0.050 0.000 0.786 733 S HN 0.300 nan 8.310 nan 0.000 0.492 734 A N 1.582 124.442 122.820 0.066 0.000 2.172 734 A HA 0.138 4.460 4.320 0.003 0.000 0.216 734 A C 1.214 178.859 177.584 0.101 0.000 1.154 734 A CA 0.942 53.024 52.037 0.075 0.000 0.701 734 A CB -0.690 18.355 19.000 0.075 0.000 0.789 734 A HN 0.587 nan 8.150 nan 0.000 0.465 735 K N -0.635 119.837 120.400 0.120 0.000 3.230 735 K HA -0.173 4.149 4.320 0.003 0.000 0.285 735 K C -0.545 176.185 176.600 0.217 0.000 1.196 735 K CA 0.723 57.138 56.287 0.214 0.000 0.838 735 K CB -1.593 31.054 32.500 0.246 0.000 1.262 735 K HN 0.615 nan 8.250 nan 0.000 0.492 736 D N 0.769 121.229 120.400 0.099 0.000 2.389 736 D HA 0.021 4.663 4.640 0.003 0.000 0.263 736 D C -1.388 174.840 176.300 -0.120 0.000 1.255 736 D CA -1.844 52.187 54.000 0.050 0.000 0.914 736 D CB 1.017 41.866 40.800 0.082 0.000 1.116 736 D HN -0.014 nan 8.370 nan 0.000 0.502 737 P HA -0.069 nan 4.420 nan 0.000 0.222 737 P C 0.558 177.426 177.300 -0.720 0.000 1.147 737 P CA 0.852 63.552 63.100 -0.665 0.000 0.790 737 P CB 0.019 31.016 31.700 -1.171 0.000 0.780 738 F N -1.223 118.670 119.950 -0.095 0.000 2.765 738 F HA 0.146 4.674 4.527 0.001 0.000 0.302 738 F C 1.099 176.875 175.800 -0.040 0.000 1.111 738 F CA 0.059 58.019 58.000 -0.066 0.000 1.359 738 F CB -0.384 38.596 39.000 -0.034 0.000 1.097 738 F HN -0.323 nan 8.300 nan 0.000 0.577 739 K N 0.669 121.095 120.400 0.043 0.000 2.172 739 K HA 0.390 4.712 4.320 0.003 0.000 0.276 739 K C 0.950 177.553 176.600 0.005 0.000 1.013 739 K CA 0.076 56.386 56.287 0.037 0.000 0.913 739 K CB 1.422 33.946 32.500 0.040 0.000 1.055 739 K HN 0.082 nan 8.250 nan 0.000 0.461 740 S N 1.579 117.294 115.700 0.024 0.000 3.927 740 S HA -0.234 4.238 4.470 0.003 0.000 0.618 740 S C 0.593 175.157 174.600 -0.060 0.000 2.201 740 S CA 1.478 59.690 58.200 0.020 0.000 4.160 740 S CB -0.733 62.559 63.200 0.155 0.000 0.266 740 S HN 0.803 nan 8.310 nan 0.000 0.760 741 D N 3.154 123.490 120.400 -0.107 0.000 2.328 741 D HA 0.364 5.005 4.640 0.003 0.000 0.226 741 D C 1.315 177.499 176.300 -0.193 0.000 1.066 741 D CA 1.025 54.896 54.000 -0.215 0.000 0.861 741 D CB -0.326 40.237 40.800 -0.395 0.000 0.912 741 D HN 0.798 nan 8.370 nan 0.000 0.521 742 G N 1.305 109.965 108.800 -0.234 0.000 2.594 742 G HA2 -0.275 3.687 3.960 0.003 0.000 0.297 742 G HA3 -0.275 3.687 3.960 0.003 0.000 0.297 742 G C -0.164 174.453 174.900 -0.473 0.000 1.273 742 G CA -0.210 44.646 45.100 -0.406 0.000 0.974 742 G HN 0.402 nan 8.290 nan 0.000 0.552 743 H N 2.024 121.016 119.070 -0.129 0.000 2.467 743 H HA 0.358 4.916 4.556 0.003 0.000 0.326 743 H C -1.254 173.957 175.328 -0.196 0.000 1.094 743 H CA -1.094 54.865 56.048 -0.148 0.000 1.253 743 H CB 1.874 31.592 29.762 -0.072 0.000 1.439 743 H HN 0.304 nan 8.280 nan 0.000 0.479 744 P HA -0.085 nan 4.420 nan 0.000 0.229 744 P C 0.802 177.967 177.300 -0.225 0.000 1.160 744 P CA 0.411 63.414 63.100 -0.161 0.000 0.777 744 P CB 0.461 32.036 31.700 -0.208 0.000 0.814 745 S N 0.665 116.137 115.700 -0.380 0.000 2.516 745 S HA 0.157 4.628 4.470 0.003 0.000 0.282 745 S C -0.116 174.329 174.600 -0.259 0.000 1.286 745 S CA 0.042 58.000 58.200 -0.405 0.000 1.066 745 S CB -0.296 62.462 63.200 -0.737 0.000 0.884 745 S HN -0.014 nan 8.310 nan 0.000 0.491 746 D N 2.283 122.543 120.400 -0.234 0.000 2.596 746 D HA 0.357 4.999 4.640 0.003 0.000 0.262 746 D C -0.808 175.242 176.300 -0.416 0.000 1.210 746 D CA -0.503 53.308 54.000 -0.316 0.000 0.873 746 D CB 1.333 41.932 40.800 -0.335 0.000 1.408 746 D HN 0.397 nan 8.370 nan 0.000 0.441 747 L N 1.043 121.904 121.223 -0.602 0.000 2.357 747 L HA 0.456 4.798 4.340 0.003 0.000 0.273 747 L C -0.752 175.583 176.870 -0.892 0.000 1.080 747 L CA -0.506 53.955 54.840 -0.633 0.000 0.803 747 L CB 0.554 42.222 42.059 -0.651 0.000 1.174 747 L HN 0.327 nan 8.230 nan 0.000 0.443 748 Y N 0.366 120.264 120.300 -0.670 0.000 2.605 748 Y HA 0.518 5.069 4.550 0.003 0.000 0.343 748 Y C -0.320 175.325 175.900 -0.426 0.000 1.036 748 Y CA -0.657 57.083 58.100 -0.600 0.000 1.065 748 Y CB 2.169 40.153 38.460 -0.794 0.000 1.288 748 Y HN 0.476 nan 8.280 nan 0.000 0.481 749 C N 2.161 121.488 119.300 0.045 0.000 2.505 749 C HA 0.465 4.927 4.460 0.003 0.000 0.342 749 C C -1.526 173.728 174.990 0.441 0.000 1.121 749 C CA -0.813 58.326 59.018 0.201 0.000 1.306 749 C CB -0.752 27.004 27.740 0.027 0.000 1.897 749 C HN 0.790 nan 8.230 nan 0.000 0.446 750 Y N 5.198 125.724 120.300 0.377 0.000 2.383 750 Y HA 0.425 4.976 4.550 0.003 0.000 0.344 750 Y C 0.385 176.376 175.900 0.151 0.000 0.986 750 Y CA 0.326 58.602 58.100 0.293 0.000 1.175 750 Y CB 0.431 39.047 38.460 0.261 0.000 1.152 750 Y HN 0.724 nan 8.280 nan 0.000 0.511 751 K N 8.267 128.556 120.400 -0.186 0.000 2.263 751 K HA 0.396 4.718 4.320 0.003 0.000 0.272 751 K C -1.261 175.184 176.600 -0.259 0.000 1.033 751 K CA -0.641 55.478 56.287 -0.279 0.000 0.884 751 K CB 0.633 33.007 32.500 -0.211 0.000 1.107 751 K HN 0.852 nan 8.250 nan 0.000 0.460 752 M N 4.660 124.222 119.600 -0.063 0.000 2.321 752 M HA 0.269 4.751 4.480 0.003 0.000 0.315 752 M C -1.126 175.217 176.300 0.072 0.000 1.052 752 M CA -0.769 54.584 55.300 0.089 0.000 0.936 752 M CB 1.548 34.297 32.600 0.248 0.000 1.639 752 M HN 0.542 nan 8.290 nan 0.000 0.433 753 K N 4.158 124.572 120.400 0.022 0.000 2.368 753 K HA 0.222 4.543 4.320 0.003 0.000 0.282 753 K C 0.058 176.530 176.600 -0.212 0.000 1.035 753 K CA 0.082 56.193 56.287 -0.293 0.000 0.973 753 K CB 0.366 32.704 32.500 -0.270 0.000 0.957 753 K HN 0.745 nan 8.250 nan 0.000 0.474 754 I N 0.355 120.769 120.570 -0.260 0.000 4.225 754 I HA 0.450 4.621 4.170 0.003 0.000 0.327 754 I C 0.179 176.216 176.117 -0.134 0.000 1.422 754 I CA -0.472 60.747 61.300 -0.134 0.000 1.150 754 I CB 1.250 39.220 38.000 -0.051 0.000 1.192 754 I HN 0.553 nan 8.210 nan 0.000 0.440 755 G N 0.141 108.823 108.800 -0.198 0.000 2.506 755 G HA2 0.575 4.536 3.960 0.003 0.000 0.292 755 G HA3 0.575 4.536 3.960 0.003 0.000 0.292 755 G C -3.428 171.371 174.900 -0.168 0.000 1.425 755 G CA -1.227 43.787 45.100 -0.143 0.000 0.788 755 G HN -0.203 nan 8.290 nan 0.000 0.490 756 P HA 0.199 nan 4.420 nan 0.000 0.269 756 P C -1.006 176.248 177.300 -0.078 0.000 1.209 756 P CA 0.057 63.108 63.100 -0.082 0.000 0.776 756 P CB 0.809 32.481 31.700 -0.046 0.000 0.876 757 D N 2.064 122.434 120.400 -0.050 0.000 2.460 757 D HA 0.134 4.776 4.640 0.003 0.000 0.232 757 D C -0.111 176.201 176.300 0.020 0.000 1.079 757 D CA -0.239 53.764 54.000 0.006 0.000 0.864 757 D CB -0.246 40.590 40.800 0.060 0.000 1.048 757 D HN 0.191 nan 8.370 nan 0.000 0.523 758 N N 2.208 120.920 118.700 0.021 0.000 2.362 758 N HA 0.100 4.842 4.740 0.003 0.000 0.204 758 N C 0.156 175.682 175.510 0.025 0.000 1.166 758 N CA 0.028 53.088 53.050 0.018 0.000 0.831 758 N CB 0.656 39.151 38.487 0.012 0.000 1.008 758 N HN 0.086 nan 8.380 nan 0.000 0.472 759 R N 0.142 120.664 120.500 0.037 0.000 2.832 759 R HA 0.438 4.780 4.340 0.003 0.000 0.271 759 R C -0.409 175.915 176.300 0.039 0.000 0.996 759 R CA -0.901 55.222 56.100 0.038 0.000 0.977 759 R CB 1.877 32.204 30.300 0.044 0.000 1.168 759 R HN -0.102 nan 8.270 nan 0.000 0.482 760 V N 1.365 121.299 119.914 0.033 0.000 2.999 760 V HA -0.059 4.063 4.120 0.003 0.000 0.307 760 V C 0.879 176.997 176.094 0.040 0.000 1.084 760 V CA 0.288 62.607 62.300 0.033 0.000 1.155 760 V CB 1.473 33.313 31.823 0.027 0.000 0.975 760 V HN 0.780 nan 8.190 nan 0.000 0.490 761 S N 2.318 118.042 115.700 0.040 0.000 2.568 761 S HA 0.124 4.596 4.470 0.003 0.000 0.282 761 S C 0.912 175.536 174.600 0.041 0.000 1.338 761 S CA -0.207 58.017 58.200 0.040 0.000 1.045 761 S CB 0.237 63.458 63.200 0.035 0.000 0.873 761 S HN 0.640 nan 8.310 nan 0.000 0.516 762 R N 1.575 122.093 120.500 0.031 0.000 2.334 762 R HA 0.293 4.635 4.340 0.003 0.000 0.216 762 R C -0.466 175.870 176.300 0.059 0.000 0.905 762 R CA -0.057 56.073 56.100 0.050 0.000 1.064 762 R CB -0.036 30.280 30.300 0.027 0.000 1.046 762 R HN 0.548 nan 8.270 nan 0.000 0.508 763 D N 0.942 121.340 120.400 -0.003 0.000 2.455 763 D HA 0.078 4.720 4.640 0.003 0.000 0.241 763 D C -0.220 176.098 176.300 0.029 0.000 1.138 763 D CA 0.655 54.604 54.000 -0.085 0.000 0.877 763 D CB 0.402 41.166 40.800 -0.060 0.000 1.187 763 D HN -0.001 nan 8.370 nan 0.000 0.451 764 F N -1.016 118.963 119.950 0.048 0.000 2.613 764 F HA 0.543 5.071 4.527 0.003 0.000 0.314 764 F C -0.215 175.632 175.800 0.077 0.000 1.075 764 F CA -1.585 56.444 58.000 0.048 0.000 0.945 764 F CB 1.183 40.204 39.000 0.035 0.000 1.310 764 F HN 0.044 nan 8.300 nan 0.000 0.467 765 R N 1.708 122.411 120.500 0.337 0.000 2.254 765 R HA 0.300 4.642 4.340 0.003 0.000 0.318 765 R C -1.653 174.895 176.300 0.412 0.000 1.031 765 R CA -0.617 55.651 56.100 0.280 0.000 0.905 765 R CB 0.585 30.977 30.300 0.154 0.000 1.050 765 R HN 0.893 nan 8.270 nan 0.000 0.456 766 Y N 3.567 124.048 120.300 0.303 0.000 2.531 766 Y HA 0.274 4.826 4.550 0.003 0.000 0.347 766 Y C 0.677 176.650 175.900 0.122 0.000 1.024 766 Y CA 0.563 58.817 58.100 0.258 0.000 1.306 766 Y CB 1.203 39.819 38.460 0.260 0.000 1.149 766 Y HN 0.854 nan 8.280 nan 0.000 0.527 767 G N 4.292 112.965 108.800 -0.211 0.000 3.441 767 G HA2 0.401 4.363 3.960 0.003 0.000 0.263 767 G HA3 0.401 4.363 3.960 0.003 0.000 0.263 767 G C 0.015 174.762 174.900 -0.255 0.000 1.014 767 G CA 0.265 45.280 45.100 -0.142 0.000 0.833 767 G HN 0.835 nan 8.290 nan 0.000 0.514 768 A N 0.046 122.515 122.820 -0.584 0.000 2.304 768 A HA 0.642 4.964 4.320 0.003 0.000 0.271 768 A C 0.154 177.633 177.584 -0.175 0.000 1.091 768 A CA -0.299 51.483 52.037 -0.425 0.000 0.812 768 A CB 1.029 19.686 19.000 -0.571 0.000 1.056 768 A HN 0.259 nan 8.150 nan 0.000 0.489 769 V N 2.998 122.868 119.914 -0.072 0.000 2.479 769 V HA 0.147 4.269 4.120 0.003 0.000 0.281 769 V C -1.945 174.186 176.094 0.061 0.000 1.031 769 V CA -0.641 61.667 62.300 0.013 0.000 1.038 769 V CB 0.476 32.291 31.823 -0.012 0.000 0.981 769 V HN 0.731 nan 8.190 nan 0.000 0.478 770 P HA 0.158 nan 4.420 nan 0.000 0.264 770 P C -0.065 177.262 177.300 0.044 0.000 1.229 770 P CA 0.247 63.445 63.100 0.165 0.000 0.780 770 P CB 0.210 31.992 31.700 0.137 0.000 0.808 771 N N 2.462 121.173 118.700 0.018 0.000 2.451 771 N HA 0.105 4.846 4.740 0.003 0.000 0.271 771 N C 0.756 176.246 175.510 -0.034 0.000 1.410 771 N CA -0.086 52.925 53.050 -0.065 0.000 0.884 771 N CB 0.230 38.625 38.487 -0.153 0.000 1.332 771 N HN 0.034 nan 8.380 nan 0.000 0.498 772 R N -0.454 120.046 120.500 -0.001 0.000 2.142 772 R HA 0.363 4.705 4.340 0.003 0.000 0.204 772 R C 1.719 178.010 176.300 -0.015 0.000 1.059 772 R CA 0.811 56.913 56.100 0.003 0.000 1.055 772 R CB -0.902 29.404 30.300 0.010 0.000 0.976 772 R HN 0.165 nan 8.270 nan 0.000 0.483 773 A N 1.120 123.927 122.820 -0.022 0.000 1.855 773 A HA -0.010 4.311 4.320 0.003 0.000 0.215 773 A C 0.885 178.437 177.584 -0.054 0.000 1.191 773 A CA 1.178 53.190 52.037 -0.041 0.000 0.613 773 A CB -0.021 18.959 19.000 -0.034 0.000 0.829 773 A HN 0.045 nan 8.150 nan 0.000 0.442 774 V N 1.117 121.004 119.914 -0.045 0.000 2.320 774 V HA 0.276 4.397 4.120 0.003 0.000 0.268 774 V C -2.894 173.162 176.094 -0.063 0.000 1.021 774 V CA -1.573 60.702 62.300 -0.042 0.000 0.813 774 V CB 0.886 32.694 31.823 -0.026 0.000 1.054 774 V HN 0.189 nan 8.190 nan 0.000 0.444 775 P HA 0.185 nan 4.420 nan 0.000 0.265 775 P C -0.451 176.713 177.300 -0.225 0.000 1.222 775 P CA 0.333 63.364 63.100 -0.115 0.000 0.767 775 P CB 0.828 32.601 31.700 0.122 0.000 0.801 776 V N 5.617 125.214 119.914 -0.528 0.000 2.495 776 V HA 0.505 4.627 4.120 0.003 0.000 0.298 776 V C -0.345 175.253 176.094 -0.827 0.000 1.031 776 V CA -0.341 61.688 62.300 -0.452 0.000 0.871 776 V CB 1.004 32.659 31.823 -0.280 0.000 0.988 776 V HN 0.314 nan 8.190 nan 0.000 0.432 777 F N 3.306 123.229 119.950 -0.046 0.000 2.547 777 F HA 0.553 5.081 4.527 0.003 0.000 0.316 777 F C -0.271 175.515 175.800 -0.024 0.000 1.121 777 F CA -0.709 57.301 58.000 0.017 0.000 0.911 777 F CB 1.495 40.509 39.000 0.023 0.000 1.179 777 F HN 0.287 nan 8.300 nan 0.000 0.443 778 F N 3.140 123.166 119.950 0.127 0.000 2.502 778 F HA 0.111 4.640 4.527 0.003 0.000 0.371 778 F C 0.921 176.777 175.800 0.093 0.000 1.083 778 F CA -0.471 57.577 58.000 0.080 0.000 1.174 778 F CB 0.093 39.119 39.000 0.044 0.000 1.096 778 F HN 0.495 nan 8.300 nan 0.000 0.545 779 D N 0.347 120.850 120.400 0.172 0.000 2.393 779 D HA -0.011 4.631 4.640 0.003 0.000 0.246 779 D C 1.341 177.714 176.300 0.122 0.000 1.275 779 D CA -0.057 54.016 54.000 0.122 0.000 0.979 779 D CB 0.037 40.876 40.800 0.065 0.000 1.101 779 D HN 0.508 nan 8.370 nan 0.000 0.505 780 T N -3.391 111.209 114.554 0.076 0.000 3.025 780 T HA -0.181 4.171 4.350 0.003 0.000 0.270 780 T C 1.201 175.936 174.700 0.058 0.000 1.126 780 T CA 1.060 63.196 62.100 0.060 0.000 1.105 780 T CB -0.575 68.314 68.868 0.036 0.000 0.884 780 T HN 0.605 nan 8.240 nan 0.000 0.522 781 N N 0.643 119.380 118.700 0.062 0.000 2.280 781 N HA 0.140 4.882 4.740 0.003 0.000 0.192 781 N C 1.257 176.817 175.510 0.082 0.000 1.109 781 N CA 0.545 53.628 53.050 0.055 0.000 0.855 781 N CB -0.076 38.433 38.487 0.038 0.000 0.974 781 N HN 0.614 nan 8.380 nan 0.000 0.482 782 G N 0.700 109.581 108.800 0.136 0.000 2.136 782 G HA2 -0.214 3.748 3.960 0.003 0.000 0.242 782 G HA3 -0.214 3.748 3.960 0.003 0.000 0.242 782 G C -0.309 174.745 174.900 0.257 0.000 0.989 782 G CA 0.204 45.442 45.100 0.231 0.000 0.682 782 G HN 0.176 nan 8.290 nan 0.000 0.522 783 V N 0.626 120.606 119.914 0.110 0.000 2.459 783 V HA 0.496 4.618 4.120 0.003 0.000 0.295 783 V C 1.058 177.030 176.094 -0.204 0.000 1.029 783 V CA -1.095 61.187 62.300 -0.029 0.000 0.874 783 V CB 1.561 33.375 31.823 -0.015 0.000 0.985 783 V HN 0.401 nan 8.190 nan 0.000 0.438 784 R N 2.366 122.602 120.500 -0.440 0.000 2.502 784 R HA 0.302 4.644 4.340 0.003 0.000 0.292 784 R C -0.191 175.980 176.300 -0.215 0.000 0.998 784 R CA 0.392 56.172 56.100 -0.533 0.000 1.056 784 R CB 0.133 30.128 30.300 -0.508 0.000 0.939 784 R HN 0.737 nan 8.270 nan 0.000 0.411 785 T N 2.408 116.890 114.554 -0.120 0.000 2.841 785 T HA 0.300 4.651 4.350 0.003 0.000 0.285 785 T C -0.680 174.069 174.700 0.082 0.000 0.991 785 T CA -0.660 61.444 62.100 0.006 0.000 0.966 785 T CB 1.787 70.689 68.868 0.055 0.000 0.962 785 T HN 0.159 nan 8.240 nan 0.000 0.438 786 V N 6.177 126.132 119.914 0.068 0.000 2.313 786 V HA 0.294 4.415 4.120 0.003 0.000 0.278 786 V C -1.584 174.574 176.094 0.106 0.000 1.017 786 V CA -1.367 60.992 62.300 0.100 0.000 0.823 786 V CB 1.199 33.060 31.823 0.064 0.000 1.010 786 V HN 0.751 nan 8.190 nan 0.000 0.443 787 P HA 0.232 nan 4.420 nan 0.000 0.245 787 P C 0.496 177.829 177.300 0.054 0.000 1.203 787 P CA 0.180 63.323 63.100 0.072 0.000 0.792 787 P CB 0.444 32.162 31.700 0.030 0.000 0.997 788 A N 2.114 124.976 122.820 0.070 0.000 2.371 788 A HA 0.467 4.789 4.320 0.003 0.000 0.257 788 A C -2.133 175.464 177.584 0.021 0.000 1.089 788 A CA -1.219 50.840 52.037 0.036 0.000 0.794 788 A CB -0.642 18.377 19.000 0.031 0.000 1.029 788 A HN 0.030 nan 8.150 nan 0.000 0.488 789 P HA 0.280 nan 4.420 nan 0.000 0.271 789 P C -0.846 176.440 177.300 -0.024 0.000 1.216 789 P CA 0.293 63.394 63.100 0.001 0.000 0.771 789 P CB 0.677 32.374 31.700 -0.006 0.000 0.864 790 M N 1.770 121.361 119.600 -0.014 0.000 2.518 790 M HA 0.362 4.844 4.480 0.003 0.000 0.300 790 M C -0.190 176.061 176.300 -0.082 0.000 1.175 790 M CA -0.563 54.681 55.300 -0.093 0.000 0.890 790 M CB 2.659 35.221 32.600 -0.064 0.000 1.710 790 M HN 0.248 nan 8.290 nan 0.000 0.453 791 E N 2.215 122.289 120.200 -0.211 0.000 2.191 791 E HA 0.517 4.868 4.350 0.003 0.000 0.263 791 E C -1.608 174.819 176.600 -0.289 0.000 0.881 791 E CA -0.241 56.084 56.400 -0.127 0.000 0.757 791 E CB 1.909 31.561 29.700 -0.080 0.000 1.147 791 E HN 0.422 nan 8.360 nan 0.000 0.414 792 F N 1.202 121.139 119.950 -0.022 0.000 2.361 792 F HA 0.154 4.683 4.527 0.003 0.000 0.364 792 F C 1.614 177.405 175.800 -0.016 0.000 1.117 792 F CA -0.412 57.569 58.000 -0.032 0.000 1.071 792 F CB 1.552 40.531 39.000 -0.036 0.000 1.188 792 F HN 0.330 nan 8.300 nan 0.000 0.464 793 T N -0.901 113.716 114.554 0.104 0.000 3.014 793 T HA 0.270 4.622 4.350 0.003 0.000 0.250 793 T C 1.025 175.770 174.700 0.074 0.000 1.060 793 T CA 0.143 62.296 62.100 0.089 0.000 1.040 793 T CB -0.072 68.852 68.868 0.093 0.000 0.971 793 T HN 0.560 nan 8.240 nan 0.000 0.497 794 G N 1.053 109.884 108.800 0.051 0.000 2.599 794 G HA2 0.416 4.378 3.960 0.003 0.000 0.264 794 G HA3 0.416 4.378 3.960 0.003 0.000 0.264 794 G C -0.914 174.011 174.900 0.042 0.000 1.200 794 G CA -0.614 44.499 45.100 0.022 0.000 0.896 794 G HN 0.221 nan 8.290 nan 0.000 0.536 795 D N -0.408 120.010 120.400 0.030 0.000 2.450 795 D HA 0.227 4.868 4.640 0.003 0.000 0.247 795 D C -0.097 176.205 176.300 0.003 0.000 1.162 795 D CA 0.309 54.322 54.000 0.023 0.000 0.879 795 D CB 1.336 42.151 40.800 0.025 0.000 1.163 795 D HN -0.098 nan 8.370 nan 0.000 0.472 796 L N 1.841 123.056 121.223 -0.013 0.000 2.329 796 L HA 0.547 4.888 4.340 0.003 0.000 0.279 796 L C 0.713 177.551 176.870 -0.053 0.000 1.014 796 L CA -0.556 54.251 54.840 -0.055 0.000 0.814 796 L CB 2.014 44.011 42.059 -0.104 0.000 1.257 796 L HN 0.367 nan 8.230 nan 0.000 0.424 797 G N 4.403 113.166 108.800 -0.061 0.000 2.417 797 G HA2 0.671 4.633 3.960 0.003 0.000 0.320 797 G HA3 0.671 4.633 3.960 0.003 0.000 0.320 797 G C -1.113 173.743 174.900 -0.075 0.000 1.204 797 G CA -0.385 44.682 45.100 -0.055 0.000 0.923 797 G HN 0.431 nan 8.290 nan 0.000 0.466 798 L N 1.973 123.151 121.223 -0.074 0.000 2.333 798 L HA 0.713 5.055 4.340 0.003 0.000 0.269 798 L C 1.127 177.961 176.870 -0.060 0.000 1.010 798 L CA -1.033 53.758 54.840 -0.082 0.000 0.818 798 L CB 2.107 44.106 42.059 -0.099 0.000 1.306 798 L HN 0.649 nan 8.230 nan 0.000 0.430 799 G N -1.042 107.731 108.800 -0.045 0.000 3.137 799 G HA2 0.056 4.017 3.960 0.003 0.000 0.163 799 G HA3 0.056 4.017 3.960 0.003 0.000 0.163 799 G C -0.233 174.662 174.900 -0.008 0.000 1.602 799 G CA -0.251 44.840 45.100 -0.015 0.000 1.067 799 G HN 0.633 nan 8.290 nan 0.000 0.568 800 H N -0.194 118.848 119.070 -0.047 0.000 2.964 800 H HA 0.291 4.849 4.556 0.003 0.000 0.328 800 H C -0.870 174.430 175.328 -0.046 0.000 1.030 800 H CA 0.292 56.313 56.048 -0.045 0.000 1.445 800 H CB 0.533 30.272 29.762 -0.038 0.000 1.449 800 H HN -0.033 nan 8.280 nan 0.000 0.581 801 V N 5.432 125.091 119.914 -0.425 0.000 2.540 801 V HA 0.210 4.332 4.120 0.003 0.000 0.302 801 V C -0.039 175.927 176.094 -0.213 0.000 1.035 801 V CA -0.693 61.481 62.300 -0.210 0.000 0.873 801 V CB 2.110 33.832 31.823 -0.169 0.000 0.992 801 V HN 0.847 nan 8.190 nan 0.000 0.428 802 T N 5.757 120.289 114.554 -0.036 0.000 2.812 802 T HA 0.565 4.917 4.350 0.003 0.000 0.282 802 T C -0.428 174.267 174.700 -0.010 0.000 0.990 802 T CA -0.343 61.758 62.100 0.001 0.000 0.960 802 T CB 1.150 70.064 68.868 0.076 0.000 0.948 802 T HN 0.332 nan 8.240 nan 0.000 0.438 803 I N 4.078 124.639 120.570 -0.014 0.000 2.297 803 I HA 0.315 4.487 4.170 0.003 0.000 0.291 803 I C 0.768 176.887 176.117 0.003 0.000 1.033 803 I CA -0.705 60.591 61.300 -0.008 0.000 1.253 803 I CB 0.288 38.282 38.000 -0.010 0.000 1.396 803 I HN 0.396 nan 8.210 nan 0.000 0.476 804 R N 3.807 124.311 120.500 0.006 0.000 2.615 804 R HA 0.461 4.802 4.340 0.003 0.000 0.270 804 R C 0.161 176.466 176.300 0.007 0.000 1.081 804 R CA -0.542 55.563 56.100 0.008 0.000 1.154 804 R CB 0.691 30.996 30.300 0.009 0.000 1.063 804 R HN 0.681 nan 8.270 nan 0.000 0.519 805 A N 0.981 123.805 122.820 0.007 0.000 2.520 805 A HA 0.140 4.462 4.320 0.003 0.000 0.245 805 A C 0.949 178.537 177.584 0.006 0.000 1.072 805 A CA 0.546 52.586 52.037 0.006 0.000 0.761 805 A CB 0.025 19.029 19.000 0.006 0.000 1.004 805 A HN 0.872 nan 8.150 nan 0.000 0.499 806 S N 0.591 116.295 115.700 0.006 0.000 2.590 806 S HA 0.200 4.672 4.470 0.003 0.000 0.281 806 S C 0.391 174.995 174.600 0.007 0.000 1.068 806 S CA 0.566 58.770 58.200 0.007 0.000 1.193 806 S CB 0.199 63.404 63.200 0.009 0.000 1.040 806 S HN 0.673 nan 8.310 nan 0.000 0.544 807 T N 2.081 116.639 114.554 0.007 0.000 2.876 807 T HA 0.695 5.047 4.350 0.003 0.000 0.289 807 T C -0.576 174.128 174.700 0.007 0.000 1.014 807 T CA 0.241 62.346 62.100 0.008 0.000 0.986 807 T CB 1.470 70.344 68.868 0.009 0.000 1.021 807 T HN 0.664 nan 8.240 nan 0.000 0.458 808 S N 2.614 118.318 115.700 0.007 0.000 3.681 808 S HA -0.202 4.270 4.470 0.003 0.000 0.473 808 S C 0.651 175.254 174.600 0.005 0.000 0.830 808 S CA 0.643 58.846 58.200 0.006 0.000 1.355 808 S CB -1.756 61.448 63.200 0.006 0.000 0.892 808 S HN 1.382 nan 8.310 nan 0.000 0.649 809 S N 1.698 117.401 115.700 0.004 0.000 3.581 809 S HA -0.235 4.237 4.470 0.003 0.000 0.354 809 S C 0.532 175.133 174.600 0.003 0.000 1.059 809 S CA 1.053 59.255 58.200 0.003 0.000 1.060 809 S CB -1.589 61.612 63.200 0.003 0.000 0.908 809 S HN 1.241 nan 8.310 nan 0.000 0.475 810 N N -1.528 117.174 118.700 0.003 0.000 2.693 810 N HA -0.234 4.508 4.740 0.003 0.000 0.249 810 N C 0.563 176.075 175.510 0.004 0.000 1.119 810 N CA 1.117 54.169 53.050 0.003 0.000 0.717 810 N CB -1.489 37.000 38.487 0.002 0.000 1.071 810 N HN 0.776 nan 8.380 nan 0.000 0.555 811 I N -0.289 120.283 120.570 0.004 0.000 2.394 811 I HA -0.153 4.019 4.170 0.003 0.000 0.251 811 I C 1.185 177.305 176.117 0.004 0.000 1.136 811 I CA 1.029 62.331 61.300 0.004 0.000 1.425 811 I CB 0.241 38.243 38.000 0.003 0.000 1.079 811 I HN 0.278 nan 8.210 nan 0.000 0.425 812 R N -0.144 120.359 120.500 0.005 0.000 2.837 812 R HA 0.497 4.839 4.340 0.003 0.000 0.271 812 R C -0.669 175.636 176.300 0.007 0.000 0.993 812 R CA -0.623 55.481 56.100 0.006 0.000 0.931 812 R CB 1.246 31.550 30.300 0.006 0.000 1.206 812 R HN 0.008 nan 8.270 nan 0.000 0.474 813 S N 0.116 115.820 115.700 0.007 0.000 2.616 813 S HA 0.373 4.845 4.470 0.003 0.000 0.277 813 S C -0.412 174.193 174.600 0.008 0.000 1.234 813 S CA -0.745 57.460 58.200 0.007 0.000 1.028 813 S CB 1.389 64.593 63.200 0.007 0.000 0.988 813 S HN 0.757 nan 8.310 nan 0.000 0.522 814 E N 0.745 120.950 120.200 0.009 0.000 2.304 814 E HA 0.541 4.893 4.350 0.003 0.000 0.277 814 E C -2.047 174.560 176.600 0.011 0.000 0.898 814 E CA -0.807 55.600 56.400 0.011 0.000 0.764 814 E CB 1.835 31.542 29.700 0.012 0.000 1.216 814 E HN 0.539 nan 8.360 nan 0.000 0.419 815 V N 5.442 125.364 119.914 0.012 0.000 2.531 815 V HA 0.443 4.565 4.120 0.003 0.000 0.301 815 V C -0.392 175.712 176.094 0.017 0.000 1.034 815 V CA -0.673 61.635 62.300 0.013 0.000 0.865 815 V CB 1.397 33.226 31.823 0.011 0.000 0.995 815 V HN 0.649 nan 8.190 nan 0.000 0.424 816 L N 5.335 126.569 121.223 0.019 0.000 2.329 816 L HA 0.653 4.995 4.340 0.003 0.000 0.279 816 L C -0.333 176.552 176.870 0.024 0.000 1.014 816 L CA -0.481 54.373 54.840 0.022 0.000 0.814 816 L CB 1.932 44.004 42.059 0.023 0.000 1.257 816 L HN 0.482 nan 8.230 nan 0.000 0.424 817 M N 2.502 122.119 119.600 0.028 0.000 2.268 817 M HA 0.422 4.904 4.480 0.003 0.000 0.344 817 M C -0.357 175.960 176.300 0.027 0.000 1.106 817 M CA -0.441 54.876 55.300 0.028 0.000 1.010 817 M CB 2.167 34.789 32.600 0.036 0.000 1.649 817 M HN 0.590 nan 8.290 nan 0.000 0.443 818 E N 0.974 121.185 120.200 0.019 0.000 2.961 818 E HA 0.772 5.124 4.350 0.003 0.000 0.254 818 E C 0.291 176.889 176.600 -0.004 0.000 1.192 818 E CA -0.397 56.012 56.400 0.015 0.000 1.069 818 E CB 1.065 30.775 29.700 0.018 0.000 1.338 818 E HN 0.870 nan 8.360 nan 0.000 0.596 819 G N 0.658 109.454 108.800 -0.006 0.000 2.760 819 G HA2 -0.315 3.647 3.960 0.003 0.000 0.246 819 G HA3 -0.315 3.647 3.960 0.003 0.000 0.246 819 G C 0.476 175.378 174.900 0.004 0.000 1.359 819 G CA 0.256 45.339 45.100 -0.029 0.000 0.861 819 G HN 0.670 nan 8.290 nan 0.000 0.541 820 E N -1.001 119.209 120.200 0.016 0.000 2.077 820 E HA -0.013 4.339 4.350 0.003 0.000 0.193 820 E C 0.980 177.701 176.600 0.202 0.000 0.989 820 E CA 1.735 58.204 56.400 0.114 0.000 0.800 820 E CB -0.038 29.769 29.700 0.178 0.000 0.746 820 E HN 0.793 nan 8.360 nan 0.000 0.452 821 Y N -2.585 117.745 120.300 0.051 0.000 2.581 821 Y HA 0.700 5.252 4.550 0.002 0.000 0.345 821 Y C -0.137 175.816 175.900 0.087 0.000 1.036 821 Y CA -1.077 57.062 58.100 0.065 0.000 1.042 821 Y CB 1.155 39.655 38.460 0.067 0.000 1.289 821 Y HN -0.134 nan 8.280 nan 0.000 0.471 822 G N 1.192 110.105 108.800 0.188 0.000 2.410 822 G HA2 0.529 4.491 3.960 0.003 0.000 0.330 822 G HA3 0.529 4.491 3.960 0.003 0.000 0.330 822 G C -2.354 172.734 174.900 0.313 0.000 1.142 822 G CA -0.652 44.528 45.100 0.133 0.000 0.902 822 G HN 0.673 nan 8.290 nan 0.000 0.491 823 F N 1.998 121.995 119.950 0.078 0.000 2.536 823 F HA 0.639 5.167 4.527 0.002 0.000 0.322 823 F C -0.845 175.008 175.800 0.087 0.000 1.144 823 F CA -1.441 56.636 58.000 0.129 0.000 0.924 823 F CB 1.516 40.610 39.000 0.157 0.000 1.181 823 F HN 0.265 nan 8.300 nan 0.000 0.438 824 I N 6.295 126.562 120.570 -0.505 0.000 2.382 824 I HA 0.627 4.799 4.170 0.003 0.000 0.285 824 I C 0.261 175.915 176.117 -0.772 0.000 1.007 824 I CA -0.450 60.570 61.300 -0.467 0.000 1.142 824 I CB 1.241 39.174 38.000 -0.112 0.000 1.289 824 I HN 0.757 nan 8.210 nan 0.000 0.453 825 G N 4.435 112.756 108.800 -0.798 0.000 3.015 825 G HA2 0.682 4.644 3.960 0.003 0.000 0.281 825 G HA3 0.682 4.644 3.960 0.003 0.000 0.281 825 G C -1.583 173.206 174.900 -0.186 0.000 1.386 825 G CA -0.550 44.224 45.100 -0.543 0.000 0.959 825 G HN 0.367 nan 8.290 nan 0.000 0.522 826 K N 0.341 120.704 120.400 -0.062 0.000 2.507 826 K HA 0.529 4.851 4.320 0.003 0.000 0.252 826 K C 0.372 176.977 176.600 0.008 0.000 0.943 826 K CA -0.428 55.832 56.287 -0.045 0.000 0.808 826 K CB 1.298 33.761 32.500 -0.062 0.000 1.142 826 K HN 0.744 nan 8.250 nan 0.000 0.426 827 S N 3.856 119.558 115.700 0.002 0.000 2.576 827 S HA 0.231 4.703 4.470 0.003 0.000 0.272 827 S C 0.570 175.177 174.600 0.011 0.000 1.352 827 S CA -0.570 57.641 58.200 0.019 0.000 1.021 827 S CB 0.030 63.235 63.200 0.008 0.000 0.887 827 S HN 0.555 nan 8.310 nan 0.000 0.542 828 I N 2.912 123.494 120.570 0.020 0.000 2.587 828 I HA 0.172 4.344 4.170 0.003 0.000 0.284 828 I C -1.931 174.188 176.117 0.003 0.000 1.134 828 I CA -1.609 59.700 61.300 0.014 0.000 1.410 828 I CB -0.212 37.800 38.000 0.019 0.000 1.392 828 I HN 0.498 nan 8.210 nan 0.000 0.545 829 P HA 0.090 nan 4.420 nan 0.000 0.269 829 P C 0.500 177.798 177.300 -0.004 0.000 1.215 829 P CA -0.146 62.948 63.100 -0.010 0.000 0.780 829 P CB 0.663 32.353 31.700 -0.016 0.000 0.898 830 T N -0.542 114.008 114.554 -0.006 0.000 2.770 830 T HA -0.072 4.280 4.350 0.003 0.000 0.258 830 T C 0.983 175.681 174.700 -0.003 0.000 1.039 830 T CA 1.318 63.416 62.100 -0.003 0.000 1.143 830 T CB -0.414 68.452 68.868 -0.004 0.000 0.866 830 T HN 0.427 nan 8.240 nan 0.000 0.428 831 D N 0.804 121.201 120.400 -0.006 0.000 2.216 831 D HA 0.061 4.703 4.640 0.003 0.000 0.208 831 D C 0.845 177.143 176.300 -0.004 0.000 0.960 831 D CA 0.771 54.768 54.000 -0.005 0.000 0.861 831 D CB -0.081 40.715 40.800 -0.006 0.000 0.985 831 D HN 0.224 nan 8.370 nan 0.000 0.493 832 N N 0.560 119.257 118.700 -0.006 0.000 2.790 832 N HA 0.129 4.871 4.740 0.003 0.000 0.256 832 N C -2.127 173.381 175.510 -0.003 0.000 1.409 832 N CA -1.588 51.460 53.050 -0.004 0.000 0.799 832 N CB 1.404 39.887 38.487 -0.006 0.000 1.170 832 N HN -0.236 nan 8.380 nan 0.000 0.507 833 P HA -0.096 nan 4.420 nan 0.000 0.219 833 P C 0.847 178.154 177.300 0.011 0.000 1.146 833 P CA 0.732 63.835 63.100 0.005 0.000 0.808 833 P CB 0.207 31.913 31.700 0.009 0.000 0.779 834 A N -0.094 122.735 122.820 0.015 0.000 2.248 834 A HA 0.125 4.447 4.320 0.003 0.000 0.210 834 A C 2.167 179.770 177.584 0.032 0.000 1.174 834 A CA 1.297 53.350 52.037 0.026 0.000 0.750 834 A CB -1.373 17.642 19.000 0.025 0.000 0.780 834 A HN 0.332 nan 8.150 nan 0.000 0.478 835 G N -1.523 107.283 108.800 0.010 0.000 3.159 835 G HA2 0.163 4.125 3.960 0.003 0.000 0.232 835 G HA3 0.163 4.125 3.960 0.003 0.000 0.232 835 G C 0.545 175.416 174.900 -0.049 0.000 1.116 835 G CA -0.048 45.046 45.100 -0.010 0.000 0.767 835 G HN 0.550 nan 8.290 nan 0.000 0.547 836 Q N 1.484 121.267 119.800 -0.029 0.000 2.339 836 Q HA 0.120 4.462 4.340 0.003 0.000 0.308 836 Q C 0.303 176.243 176.000 -0.100 0.000 1.097 836 Q CA 0.491 56.266 55.803 -0.047 0.000 1.007 836 Q CB 0.111 28.845 28.738 -0.008 0.000 1.051 836 Q HN 0.618 nan 8.270 nan 0.000 0.381 837 R N 2.917 123.319 120.500 -0.163 0.000 2.765 837 R HA 0.484 4.826 4.340 0.003 0.000 0.277 837 R C -1.663 174.486 176.300 -0.252 0.000 1.028 837 R CA -0.876 55.067 56.100 -0.262 0.000 0.860 837 R CB 0.730 30.701 30.300 -0.547 0.000 1.270 837 R HN 0.464 nan 8.270 nan 0.000 0.484 838 I N 1.992 122.396 120.570 -0.277 0.000 2.466 838 I HA 0.414 4.586 4.170 0.003 0.000 0.289 838 I C -0.334 175.509 176.117 -0.457 0.000 1.026 838 I CA -1.110 59.948 61.300 -0.403 0.000 1.078 838 I CB 2.170 39.861 38.000 -0.514 0.000 1.249 838 I HN 0.423 nan 8.210 nan 0.000 0.429 839 I N 5.945 126.242 120.570 -0.456 0.000 2.315 839 I HA 0.306 4.478 4.170 0.003 0.000 0.291 839 I C -0.815 175.044 176.117 -0.429 0.000 1.006 839 I CA -0.284 60.828 61.300 -0.314 0.000 1.265 839 I CB 0.606 38.492 38.000 -0.189 0.000 1.387 839 I HN 0.299 nan 8.210 nan 0.000 0.475 840 F N 5.574 125.492 119.950 -0.053 0.000 2.420 840 F HA 0.495 5.024 4.527 0.003 0.000 0.342 840 F C 0.218 176.006 175.800 -0.019 0.000 1.113 840 F CA -0.558 57.421 58.000 -0.036 0.000 1.059 840 F CB 1.445 40.428 39.000 -0.028 0.000 1.128 840 F HN 0.382 nan 8.300 nan 0.000 0.475 841 C N 2.112 121.492 119.300 0.134 0.000 2.609 841 C HA 0.642 5.104 4.460 0.003 0.000 0.313 841 C C 1.229 176.257 174.990 0.064 0.000 1.175 841 C CA -0.402 58.662 59.018 0.077 0.000 1.434 841 C CB 0.803 28.561 27.740 0.030 0.000 2.005 841 C HN 1.033 nan 8.230 nan 0.000 0.471 842 G N 2.768 111.598 108.800 0.050 0.000 2.920 842 G HA2 0.431 4.393 3.960 0.003 0.000 0.208 842 G HA3 0.431 4.393 3.960 0.003 0.000 0.208 842 G C 0.605 175.518 174.900 0.022 0.000 1.159 842 G CA 0.801 45.920 45.100 0.033 0.000 0.784 842 G HN 1.159 nan 8.290 nan 0.000 0.535 843 G N -0.412 108.400 108.800 0.021 0.000 3.042 843 G HA2 0.474 4.436 3.960 0.003 0.000 0.278 843 G HA3 0.474 4.436 3.960 0.003 0.000 0.278 843 G C 0.539 175.447 174.900 0.013 0.000 1.371 843 G CA 0.098 45.206 45.100 0.014 0.000 1.009 843 G HN 0.206 nan 8.290 nan 0.000 0.523 844 E N -1.507 118.699 120.200 0.010 0.000 2.285 844 E HA 0.264 4.616 4.350 0.003 0.000 0.194 844 E C 1.038 177.644 176.600 0.010 0.000 0.997 844 E CA 0.506 56.913 56.400 0.011 0.000 0.845 844 E CB 0.235 29.942 29.700 0.011 0.000 0.782 844 E HN 0.529 nan 8.360 nan 0.000 0.491 845 G N 0.031 108.834 108.800 0.005 0.000 2.630 845 G HA2 0.301 4.263 3.960 0.003 0.000 0.296 845 G HA3 0.301 4.263 3.960 0.003 0.000 0.296 845 G C 0.551 175.448 174.900 -0.005 0.000 1.285 845 G CA -0.072 45.029 45.100 0.001 0.000 0.958 845 G HN 0.054 nan 8.290 nan 0.000 0.479 846 T N -2.309 112.238 114.554 -0.012 0.000 2.962 846 T HA 0.004 4.356 4.350 0.003 0.000 0.270 846 T C 1.569 176.263 174.700 -0.010 0.000 1.088 846 T CA 1.133 63.220 62.100 -0.021 0.000 1.127 846 T CB -0.154 68.696 68.868 -0.031 0.000 0.883 846 T HN 0.594 nan 8.240 nan 0.000 0.493 847 S N 1.916 117.615 115.700 -0.002 0.000 2.533 847 S HA 0.194 4.666 4.470 0.003 0.000 0.282 847 S C 1.536 176.142 174.600 0.011 0.000 1.304 847 S CA -0.049 58.154 58.200 0.005 0.000 1.063 847 S CB 0.473 63.676 63.200 0.005 0.000 0.881 847 S HN 0.603 nan 8.310 nan 0.000 0.493 848 S N 3.080 118.791 115.700 0.018 0.000 2.547 848 S HA -0.100 4.372 4.470 0.003 0.000 0.235 848 S C 1.765 176.378 174.600 0.021 0.000 0.980 848 S CA 1.006 59.221 58.200 0.026 0.000 0.941 848 S CB -0.996 62.228 63.200 0.040 0.000 0.763 848 S HN 0.945 nan 8.310 nan 0.000 0.532 849 T N 0.048 114.612 114.554 0.016 0.000 2.962 849 T HA -0.117 4.235 4.350 0.003 0.000 0.270 849 T C 1.915 176.621 174.700 0.010 0.000 1.088 849 T CA 1.559 63.666 62.100 0.012 0.000 1.127 849 T CB -1.240 67.634 68.868 0.010 0.000 0.883 849 T HN 0.665 nan 8.240 nan 0.000 0.493 850 T N -1.682 112.878 114.554 0.010 0.000 3.067 850 T HA 0.493 4.844 4.350 0.003 0.000 0.261 850 T C 0.982 175.688 174.700 0.009 0.000 1.110 850 T CA 0.339 62.444 62.100 0.008 0.000 1.113 850 T CB -0.207 68.665 68.868 0.008 0.000 0.917 850 T HN 0.837 nan 8.240 nan 0.000 0.499 851 G N -0.033 108.774 108.800 0.013 0.000 2.328 851 G HA2 0.527 4.489 3.960 0.003 0.000 0.295 851 G HA3 0.527 4.489 3.960 0.003 0.000 0.295 851 G C -1.067 173.846 174.900 0.020 0.000 1.413 851 G CA -0.600 44.508 45.100 0.013 0.000 0.817 851 G HN 0.500 nan 8.290 nan 0.000 0.546 852 A N -0.325 122.506 122.820 0.018 0.000 2.498 852 A HA 0.594 4.916 4.320 0.003 0.000 0.239 852 A C 0.359 177.980 177.584 0.062 0.000 1.068 852 A CA 0.558 52.613 52.037 0.029 0.000 0.766 852 A CB 0.205 19.211 19.000 0.010 0.000 1.003 852 A HN 0.659 nan 8.150 nan 0.000 0.497 853 Q N 0.401 120.256 119.800 0.091 0.000 2.397 853 Q HA 0.664 5.006 4.340 0.003 0.000 0.275 853 Q C -1.431 174.657 176.000 0.147 0.000 1.090 853 Q CA -0.434 55.436 55.803 0.111 0.000 0.809 853 Q CB 2.553 31.341 28.738 0.084 0.000 1.362 853 Q HN 0.715 nan 8.270 nan 0.000 0.431 854 I N 1.270 121.936 120.570 0.161 0.000 2.466 854 I HA 0.375 4.547 4.170 0.003 0.000 0.289 854 I C -0.763 175.453 176.117 0.166 0.000 1.026 854 I CA -0.512 60.858 61.300 0.117 0.000 1.078 854 I CB 2.351 40.401 38.000 0.083 0.000 1.249 854 I HN 0.471 nan 8.210 nan 0.000 0.429 855 T N 7.032 121.631 114.554 0.075 0.000 2.786 855 T HA 0.544 4.896 4.350 0.003 0.000 0.283 855 T C -0.295 174.465 174.700 0.101 0.000 0.992 855 T CA -0.480 61.655 62.100 0.059 0.000 0.954 855 T CB 1.047 69.915 68.868 -0.001 0.000 0.934 855 T HN 0.264 nan 8.240 nan 0.000 0.440 856 L N 3.944 125.221 121.223 0.089 0.000 2.272 856 L HA 0.482 4.824 4.340 0.003 0.000 0.289 856 L C -0.694 176.214 176.870 0.063 0.000 1.032 856 L CA -0.984 53.936 54.840 0.134 0.000 0.810 856 L CB 0.570 42.731 42.059 0.170 0.000 1.205 856 L HN 0.646 nan 8.230 nan 0.000 0.422 857 Y N 1.242 121.540 120.300 -0.003 0.000 2.308 857 Y HA 0.413 4.965 4.550 0.003 0.000 0.329 857 Y C 1.206 177.111 175.900 0.009 0.000 1.111 857 Y CA -0.518 57.580 58.100 -0.004 0.000 1.179 857 Y CB 1.600 40.055 38.460 -0.009 0.000 1.201 857 Y HN 0.651 nan 8.280 nan 0.000 0.483 858 G N 0.649 109.516 108.800 0.111 0.000 2.634 858 G HA2 0.305 4.267 3.960 0.003 0.000 0.255 858 G HA3 0.305 4.267 3.960 0.003 0.000 0.255 858 G C 0.770 175.726 174.900 0.094 0.000 1.205 858 G CA -0.070 45.081 45.100 0.084 0.000 0.884 858 G HN 0.866 nan 8.290 nan 0.000 0.549 859 A N 0.170 123.032 122.820 0.071 0.000 2.015 859 A HA -0.062 4.260 4.320 0.003 0.000 0.219 859 A C 2.069 179.683 177.584 0.049 0.000 1.163 859 A CA 1.235 53.306 52.037 0.056 0.000 0.646 859 A CB -0.258 18.769 19.000 0.045 0.000 0.806 859 A HN 0.652 nan 8.150 nan 0.000 0.448 860 N N 0.477 119.205 118.700 0.048 0.000 2.457 860 N HA -0.073 4.669 4.740 0.003 0.000 0.180 860 N C 0.395 175.933 175.510 0.047 0.000 1.050 860 N CA 0.061 53.134 53.050 0.039 0.000 0.906 860 N CB -0.214 38.291 38.487 0.030 0.000 0.968 860 N HN 0.472 nan 8.380 nan 0.000 0.445 861 N N 1.548 120.290 118.700 0.070 0.000 2.441 861 N HA -0.029 4.713 4.740 0.003 0.000 0.251 861 N C 0.834 176.393 175.510 0.082 0.000 1.242 861 N CA 0.402 53.511 53.050 0.100 0.000 0.898 861 N CB 1.065 39.673 38.487 0.202 0.000 1.100 861 N HN -0.028 nan 8.380 nan 0.000 0.443 862 T N 1.146 115.745 114.554 0.075 0.000 2.653 862 T HA -0.178 4.174 4.350 0.003 0.000 0.268 862 T C -0.109 174.610 174.700 0.031 0.000 1.035 862 T CA 1.325 63.453 62.100 0.047 0.000 1.154 862 T CB -0.195 68.700 68.868 0.044 0.000 0.862 862 T HN 0.552 nan 8.240 nan 0.000 0.441 863 D N 2.052 122.475 120.400 0.039 0.000 2.522 863 D HA 0.293 4.935 4.640 0.003 0.000 0.218 863 D C -0.365 175.920 176.300 -0.025 0.000 1.149 863 D CA -0.020 53.948 54.000 -0.052 0.000 0.981 863 D CB 0.320 40.992 40.800 -0.213 0.000 1.041 863 D HN 0.104 nan 8.370 nan 0.000 0.518 864 S N 1.775 117.476 115.700 0.003 0.000 2.515 864 S HA 0.003 4.475 4.470 0.003 0.000 0.285 864 S C 0.940 175.553 174.600 0.022 0.000 1.265 864 S CA -0.179 58.040 58.200 0.033 0.000 1.079 864 S CB 0.042 63.257 63.200 0.024 0.000 0.877 864 S HN 0.487 nan 8.310 nan 0.000 0.493 865 R N 0.701 121.242 120.500 0.068 0.000 3.875 865 R HA -0.184 4.158 4.340 0.003 0.000 0.321 865 R C 0.272 176.588 176.300 0.027 0.000 1.196 865 R CA 0.891 57.029 56.100 0.065 0.000 0.868 865 R CB -1.687 28.636 30.300 0.039 0.000 1.333 865 R HN 0.764 nan 8.270 nan 0.000 0.522 866 R N 1.529 122.000 120.500 -0.048 0.000 2.643 866 R HA 0.292 4.634 4.340 0.003 0.000 0.270 866 R C -0.136 176.129 176.300 -0.059 0.000 1.061 866 R CA 0.284 56.256 56.100 -0.214 0.000 1.107 866 R CB 0.485 30.376 30.300 -0.681 0.000 0.999 866 R HN 0.190 nan 8.270 nan 0.000 0.460 867 I N 4.193 124.717 120.570 -0.077 0.000 2.466 867 I HA 0.253 4.425 4.170 0.003 0.000 0.289 867 I C -0.851 175.158 176.117 -0.179 0.000 1.026 867 I CA -1.105 60.131 61.300 -0.107 0.000 1.078 867 I CB 2.192 40.051 38.000 -0.235 0.000 1.249 867 I HN 0.311 nan 8.210 nan 0.000 0.429 868 V N 6.777 126.624 119.914 -0.111 0.000 2.384 868 V HA 0.357 4.478 4.120 0.003 0.000 0.287 868 V C -0.951 175.080 176.094 -0.104 0.000 1.020 868 V CA -0.593 61.690 62.300 -0.029 0.000 0.850 868 V CB 1.165 33.055 31.823 0.113 0.000 0.987 868 V HN 0.423 nan 8.190 nan 0.000 0.436 869 Y N 3.435 123.810 120.300 0.126 0.000 2.342 869 Y HA 0.535 5.087 4.550 0.004 0.000 0.338 869 Y C 0.415 176.484 175.900 0.281 0.000 0.965 869 Y CA -0.584 57.621 58.100 0.174 0.000 1.159 869 Y CB 1.229 39.735 38.460 0.077 0.000 1.157 869 Y HN 0.602 nan 8.280 nan 0.000 0.486 870 N N 2.444 121.387 118.700 0.404 0.000 2.617 870 N HA 0.523 5.265 4.740 0.003 0.000 0.263 870 N C -0.843 174.759 175.510 0.153 0.000 1.074 870 N CA -0.229 52.994 53.050 0.289 0.000 0.841 870 N CB 1.061 39.653 38.487 0.175 0.000 1.221 870 N HN 0.874 nan 8.380 nan 0.000 0.529 871 G N 0.600 109.391 108.800 -0.014 0.000 2.680 871 G HA2 0.258 4.220 3.960 0.003 0.000 0.290 871 G HA3 0.258 4.220 3.960 0.003 0.000 0.290 871 G C -0.342 174.418 174.900 -0.233 0.000 1.355 871 G CA -0.523 44.458 45.100 -0.198 0.000 0.903 871 G HN 0.331 nan 8.290 nan 0.000 0.474 872 D N -0.306 120.001 120.400 -0.155 0.000 2.349 872 D HA 0.141 4.783 4.640 0.003 0.000 0.215 872 D C 0.319 176.545 176.300 -0.123 0.000 1.016 872 D CA 0.872 54.813 54.000 -0.099 0.000 0.870 872 D CB 0.700 41.470 40.800 -0.050 0.000 0.917 872 D HN 0.488 nan 8.370 nan 0.000 0.524 873 E N -0.312 119.757 120.200 -0.219 0.000 2.321 873 E HA 0.234 4.585 4.350 0.003 0.000 0.278 873 E C -0.889 175.515 176.600 -0.326 0.000 0.902 873 E CA -0.623 55.670 56.400 -0.179 0.000 0.758 873 E CB 2.050 31.690 29.700 -0.100 0.000 1.213 873 E HN 0.047 nan 8.360 nan 0.000 0.426 874 H N 2.910 121.983 119.070 0.006 0.000 2.792 874 H HA 0.337 4.895 4.556 0.003 0.000 0.298 874 H C -0.822 174.469 175.328 -0.061 0.000 1.042 874 H CA -0.373 55.651 56.048 -0.042 0.000 1.300 874 H CB 0.621 30.426 29.762 0.071 0.000 1.431 874 H HN 0.290 nan 8.280 nan 0.000 0.496 875 L N 4.325 125.488 121.223 -0.099 0.000 2.294 875 L HA 0.321 4.663 4.340 0.003 0.000 0.283 875 L C -0.491 176.256 176.870 -0.205 0.000 1.015 875 L CA -0.633 54.166 54.840 -0.069 0.000 0.831 875 L CB 0.815 42.842 42.059 -0.055 0.000 1.217 875 L HN 0.343 nan 8.230 nan 0.000 0.420 876 F N 2.429 122.383 119.950 0.006 0.000 2.350 876 F HA 0.334 4.863 4.527 0.003 0.000 0.365 876 F C 0.602 176.398 175.800 -0.007 0.000 1.122 876 F CA -0.130 57.866 58.000 -0.006 0.000 1.139 876 F CB 1.082 40.067 39.000 -0.024 0.000 1.220 876 F HN 0.480 nan 8.300 nan 0.000 0.499 877 Q N 1.589 121.448 119.800 0.098 0.000 2.235 877 Q HA 0.388 4.730 4.340 0.003 0.000 0.256 877 Q C 0.584 176.623 176.000 0.066 0.000 0.951 877 Q CA -0.133 55.705 55.803 0.059 0.000 0.890 877 Q CB 1.468 30.214 28.738 0.014 0.000 1.279 877 Q HN 0.822 nan 8.270 nan 0.000 0.444 878 S N -0.609 115.119 115.700 0.047 0.000 2.524 878 S HA -0.246 4.226 4.470 0.003 0.000 0.254 878 S C -0.472 174.150 174.600 0.038 0.000 1.258 878 S CA 1.070 59.292 58.200 0.036 0.000 1.448 878 S CB -1.411 61.807 63.200 0.030 0.000 1.806 878 S HN 0.965 nan 8.310 nan 0.000 0.630 879 A N 0.410 123.262 122.820 0.052 0.000 2.606 879 A HA 0.608 4.930 4.320 0.003 0.000 0.293 879 A C -1.297 176.304 177.584 0.028 0.000 1.082 879 A CA -0.708 51.352 52.037 0.037 0.000 0.685 879 A CB 0.854 19.878 19.000 0.041 0.000 1.284 879 A HN 0.080 nan 8.150 nan 0.000 0.408 880 D N 0.531 120.929 120.400 -0.003 0.000 2.478 880 D HA 0.241 4.883 4.640 0.003 0.000 0.234 880 D C 0.051 176.309 176.300 -0.071 0.000 1.154 880 D CA 0.470 54.449 54.000 -0.035 0.000 0.874 880 D CB 0.708 41.484 40.800 -0.041 0.000 1.198 880 D HN 0.184 nan 8.370 nan 0.000 0.455 881 V N 3.185 123.012 119.914 -0.145 0.000 2.353 881 V HA 0.137 4.259 4.120 0.003 0.000 0.264 881 V C 0.626 176.612 176.094 -0.180 0.000 1.049 881 V CA -0.029 62.110 62.300 -0.267 0.000 0.896 881 V CB 0.145 31.679 31.823 -0.483 0.000 1.025 881 V HN 0.286 nan 8.190 nan 0.000 0.475 882 K N 5.403 125.726 120.400 -0.128 0.000 2.328 882 K HA 0.647 4.969 4.320 0.003 0.000 0.246 882 K C -2.387 174.186 176.600 -0.045 0.000 0.955 882 K CA -1.621 54.620 56.287 -0.077 0.000 0.817 882 K CB 2.062 34.528 32.500 -0.056 0.000 1.208 882 K HN 0.476 nan 8.250 nan 0.000 0.432 883 P HA 0.045 nan 4.420 nan 0.000 0.277 883 P C -0.073 177.264 177.300 0.063 0.000 1.240 883 P CA -0.276 62.842 63.100 0.029 0.000 0.798 883 P CB 0.563 32.276 31.700 0.022 0.000 0.979 884 Y N 2.365 122.658 120.300 -0.012 0.000 2.200 884 Y HA -0.140 4.413 4.550 0.004 0.000 0.290 884 Y C 0.634 176.531 175.900 -0.006 0.000 1.137 884 Y CA 1.378 59.475 58.100 -0.005 0.000 1.163 884 Y CB 0.075 38.537 38.460 0.004 0.000 0.988 884 Y HN 0.438 nan 8.280 nan 0.000 0.518 885 N N -0.221 118.577 118.700 0.163 0.000 2.483 885 N HA 0.164 4.905 4.740 0.003 0.000 0.285 885 N C -1.716 173.808 175.510 0.023 0.000 1.210 885 N CA -0.705 52.393 53.050 0.080 0.000 0.931 885 N CB 0.855 39.423 38.487 0.135 0.000 1.220 885 N HN -0.021 nan 8.380 nan 0.000 0.542 886 D N 0.269 120.672 120.400 0.006 0.000 2.274 886 D HA 0.236 4.878 4.640 0.003 0.000 0.239 886 D C -0.617 175.685 176.300 0.005 0.000 1.104 886 D CA -0.026 53.971 54.000 -0.005 0.000 0.840 886 D CB 0.141 40.931 40.800 -0.016 0.000 1.100 886 D HN 0.466 nan 8.370 nan 0.000 0.477 887 N N 2.929 121.632 118.700 0.004 0.000 2.758 887 N HA -0.165 4.577 4.740 0.003 0.000 0.248 887 N C -0.222 175.295 175.510 0.012 0.000 1.076 887 N CA 0.919 53.972 53.050 0.005 0.000 0.696 887 N CB -0.976 37.512 38.487 0.001 0.000 0.979 887 N HN 0.256 nan 8.380 nan 0.000 0.550 888 V N -2.092 117.833 119.914 0.019 0.000 3.137 888 V HA 0.209 4.331 4.120 0.003 0.000 0.236 888 V C 1.085 177.193 176.094 0.023 0.000 1.260 888 V CA 1.384 63.699 62.300 0.024 0.000 1.244 888 V CB 0.735 32.580 31.823 0.036 0.000 1.016 888 V HN 0.578 nan 8.190 nan 0.000 0.477 889 T N -0.822 113.748 114.554 0.026 0.000 2.932 889 T HA 0.860 5.212 4.350 0.003 0.000 0.289 889 T C -0.416 174.298 174.700 0.023 0.000 1.039 889 T CA -0.126 61.989 62.100 0.026 0.000 1.024 889 T CB 2.421 71.309 68.868 0.033 0.000 1.090 889 T HN 0.384 nan 8.240 nan 0.000 0.496 890 A N 1.428 124.263 122.820 0.026 0.000 2.322 890 A HA 0.796 5.118 4.320 0.003 0.000 0.327 890 A C -0.517 177.101 177.584 0.056 0.000 1.134 890 A CA -1.119 50.938 52.037 0.033 0.000 0.831 890 A CB 0.804 19.822 19.000 0.030 0.000 1.288 890 A HN 0.893 nan 8.150 nan 0.000 0.472 891 L N 1.928 123.199 121.223 0.079 0.000 2.260 891 L HA 0.545 4.887 4.340 0.003 0.000 0.289 891 L C 1.061 178.066 176.870 0.224 0.000 1.057 891 L CA 0.760 55.705 54.840 0.176 0.000 0.811 891 L CB 0.446 42.581 42.059 0.127 0.000 1.184 891 L HN 1.327 nan 8.230 nan 0.000 0.429 892 G N 2.795 111.714 108.800 0.197 0.000 2.698 892 G HA2 0.119 4.081 3.960 0.003 0.000 0.233 892 G HA3 0.119 4.081 3.960 0.003 0.000 0.233 892 G C -0.198 174.689 174.900 -0.022 0.000 1.352 892 G CA -0.435 44.650 45.100 -0.025 0.000 0.879 892 G HN 1.096 nan 8.290 nan 0.000 0.567 893 G N -2.634 106.132 108.800 -0.056 0.000 2.559 893 G HA2 0.734 4.696 3.960 0.003 0.000 0.291 893 G HA3 0.734 4.696 3.960 0.003 0.000 0.291 893 G C -2.042 172.836 174.900 -0.037 0.000 1.424 893 G CA 0.401 45.481 45.100 -0.034 0.000 0.786 893 G HN 0.599 nan 8.290 nan 0.000 0.485 894 P HA 0.005 nan 4.420 nan 0.000 0.218 894 P C 1.449 178.732 177.300 -0.029 0.000 1.148 894 P CA 1.419 64.506 63.100 -0.020 0.000 0.822 894 P CB 0.348 32.040 31.700 -0.014 0.000 0.784 895 S N -1.943 113.734 115.700 -0.038 0.000 2.539 895 S HA 0.170 4.642 4.470 0.003 0.000 0.221 895 S C 0.534 175.095 174.600 -0.064 0.000 0.987 895 S CA -0.162 58.013 58.200 -0.042 0.000 0.929 895 S CB -0.284 62.896 63.200 -0.034 0.000 0.832 895 S HN 0.185 nan 8.310 nan 0.000 0.492 896 N N 2.064 120.709 118.700 -0.091 0.000 2.703 896 N HA 0.200 4.941 4.740 0.003 0.000 0.283 896 N C -1.085 174.292 175.510 -0.222 0.000 1.851 896 N CA -0.148 52.809 53.050 -0.155 0.000 0.826 896 N CB 1.031 39.419 38.487 -0.165 0.000 1.239 896 N HN 0.151 nan 8.380 nan 0.000 0.495 897 R N 0.287 120.694 120.500 -0.154 0.000 2.390 897 R HA 0.323 4.665 4.340 0.003 0.000 0.291 897 R C -0.197 176.008 176.300 -0.159 0.000 1.070 897 R CA -0.208 55.825 56.100 -0.112 0.000 1.014 897 R CB 0.812 31.096 30.300 -0.027 0.000 1.007 897 R HN 0.090 nan 8.270 nan 0.000 0.466 898 F N 0.634 120.590 119.950 0.009 0.000 2.429 898 F HA 0.011 4.540 4.527 0.003 0.000 0.348 898 F C 2.097 177.906 175.800 0.015 0.000 1.109 898 F CA 0.034 58.045 58.000 0.019 0.000 1.232 898 F CB 1.039 40.049 39.000 0.017 0.000 1.157 898 F HN 0.643 nan 8.300 nan 0.000 0.564 899 T N -2.067 112.623 114.554 0.227 0.000 2.720 899 T HA -0.066 4.286 4.350 0.003 0.000 0.268 899 T C 0.801 175.549 174.700 0.080 0.000 1.037 899 T CA 1.650 63.826 62.100 0.126 0.000 1.144 899 T CB -0.251 68.692 68.868 0.124 0.000 0.864 899 T HN 0.671 nan 8.240 nan 0.000 0.444 900 T N -0.709 113.892 114.554 0.079 0.000 2.654 900 T HA 0.554 4.905 4.350 0.003 0.000 0.303 900 T C -2.339 172.321 174.700 -0.066 0.000 1.656 900 T CA -0.298 61.776 62.100 -0.044 0.000 0.971 900 T CB 0.973 69.724 68.868 -0.196 0.000 1.811 900 T HN 0.703 nan 8.240 nan 0.000 0.483 901 A N 1.361 124.087 122.820 -0.156 0.000 2.343 901 A HA 0.742 5.064 4.320 0.003 0.000 0.308 901 A C -1.778 175.701 177.584 -0.175 0.000 1.092 901 A CA -0.464 51.498 52.037 -0.126 0.000 0.751 901 A CB 0.664 19.598 19.000 -0.111 0.000 1.203 901 A HN 0.700 nan 8.150 nan 0.000 0.452 902 Y N 2.596 122.865 120.300 -0.053 0.000 2.425 902 Y HA 0.535 5.087 4.550 0.003 0.000 0.347 902 Y C 0.116 175.992 175.900 -0.039 0.000 0.976 902 Y CA 0.164 58.244 58.100 -0.034 0.000 1.190 902 Y CB 0.808 39.254 38.460 -0.023 0.000 1.136 902 Y HN 0.508 nan 8.280 nan 0.000 0.517 903 L N 1.190 122.453 121.223 0.067 0.000 2.333 903 L HA 0.573 4.914 4.340 0.003 0.000 0.263 903 L C 1.083 177.970 176.870 0.029 0.000 1.014 903 L CA -0.855 54.002 54.840 0.028 0.000 0.820 903 L CB 2.163 44.215 42.059 -0.011 0.000 1.352 903 L HN 0.717 nan 8.230 nan 0.000 0.421 904 G N -0.177 108.633 108.800 0.017 0.000 3.042 904 G HA2 0.224 4.186 3.960 0.003 0.000 0.212 904 G HA3 0.224 4.186 3.960 0.003 0.000 0.212 904 G C 0.248 175.150 174.900 0.004 0.000 1.166 904 G CA 0.653 45.761 45.100 0.014 0.000 0.767 904 G HN 0.601 nan 8.290 nan 0.000 0.546 905 S N -1.100 114.598 115.700 -0.002 0.000 2.611 905 S HA 0.382 4.854 4.470 0.003 0.000 0.268 905 S C -1.175 173.417 174.600 -0.013 0.000 1.156 905 S CA -1.048 57.148 58.200 -0.007 0.000 0.817 905 S CB 1.176 64.372 63.200 -0.008 0.000 1.122 905 S HN -0.054 nan 8.310 nan 0.000 0.466 906 N N 1.938 120.629 118.700 -0.014 0.000 2.416 906 N HA 0.385 5.127 4.740 0.003 0.000 0.246 906 N C -2.499 172.999 175.510 -0.020 0.000 1.260 906 N CA -0.753 52.286 53.050 -0.018 0.000 0.897 906 N CB -0.523 37.955 38.487 -0.016 0.000 1.110 906 N HN 0.491 nan 8.380 nan 0.000 0.439 907 P HA 0.118 nan 4.420 nan 0.000 0.267 907 P C -0.265 177.024 177.300 -0.019 0.000 1.200 907 P CA 0.222 63.308 63.100 -0.023 0.000 0.772 907 P CB 0.486 32.172 31.700 -0.024 0.000 0.855 908 I N 2.216 122.774 120.570 -0.019 0.000 2.291 908 I HA 0.154 4.326 4.170 0.003 0.000 0.290 908 I C -0.340 175.767 176.117 -0.016 0.000 1.050 908 I CA -0.518 60.772 61.300 -0.017 0.000 1.245 908 I CB 0.786 38.776 38.000 -0.017 0.000 1.405 908 I HN -0.045 nan 8.210 nan 0.000 0.478 909 V N 5.920 125.826 119.914 -0.013 0.000 2.357 909 V HA 0.512 4.633 4.120 0.003 0.000 0.284 909 V C 0.339 176.427 176.094 -0.010 0.000 1.018 909 V CA -0.307 61.986 62.300 -0.012 0.000 0.841 909 V CB 1.415 33.231 31.823 -0.011 0.000 0.991 909 V HN 0.879 nan 8.190 nan 0.000 0.437 910 T N 0.000 114.548 114.554 -0.010 0.000 3.816 910 T HA 0.000 4.352 4.350 0.003 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 910 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658