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 1v0f_1_A DATA FIRST_RESID 245 DATA SEQUENCE SAKGDGVTDD TAALTSALND TPVGQKINGN GKTYKVTSLP DISRFINTRF DATA SEQUENCE VYERIPGQPL YYASEEFVQG ELFKITDTPY YNAWPQDKAF VYENVIYAPY DATA SEQUENCE MGSDRHGVSR 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 0.000 174.661 174.600 0.101 0.000 1.055 245 S CA 0.000 58.244 58.200 0.074 0.000 1.107 245 S CB 0.000 63.241 63.200 0.068 0.000 0.593 246 A N 1.726 124.635 122.820 0.148 0.000 2.477 246 A HA 0.564 4.883 4.320 -0.000 0.000 0.246 246 A C 1.067 178.773 177.584 0.204 0.000 1.078 246 A CA -0.384 51.788 52.037 0.226 0.000 0.770 246 A CB 0.149 19.365 19.000 0.360 0.000 1.011 246 A HN 0.743 nan 8.150 nan 0.000 0.494 247 K N 1.987 122.472 120.400 0.142 0.000 2.076 247 K HA 0.061 4.381 4.320 -0.000 0.000 0.204 247 K C 1.334 177.895 176.600 -0.065 0.000 1.051 247 K CA 0.999 57.313 56.287 0.046 0.000 0.949 247 K CB -0.698 31.815 32.500 0.022 0.000 0.726 247 K HN 1.662 nan 8.250 nan 0.000 0.443 248 G N 3.777 112.445 108.800 -0.220 0.000 2.366 248 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.299 248 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.299 248 G C -0.045 174.609 174.900 -0.410 0.000 1.020 248 G CA 0.875 45.489 45.100 -0.810 0.000 1.026 248 G HN 0.470 nan 8.290 nan 0.000 0.512 249 D N -1.708 118.567 120.400 -0.209 0.000 2.398 249 D HA 0.365 5.004 4.640 -0.000 0.000 0.210 249 D C 1.821 178.076 176.300 -0.075 0.000 1.094 249 D CA 0.478 54.410 54.000 -0.114 0.000 0.839 249 D CB -0.345 40.420 40.800 -0.058 0.000 0.963 249 D HN 1.429 nan 8.370 nan 0.000 0.506 250 G N 0.066 108.817 108.800 -0.081 0.000 2.162 250 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 250 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 250 G C 0.932 175.843 174.900 0.018 0.000 0.976 250 G CA 0.982 46.079 45.100 -0.005 0.000 0.655 250 G HN 0.691 nan 8.290 nan 0.000 0.533 251 V N -3.556 116.361 119.914 0.006 0.000 3.159 251 V HA 0.348 4.468 4.120 -0.000 0.000 0.234 251 V C 1.288 177.392 176.094 0.018 0.000 1.313 251 V CA 1.080 63.388 62.300 0.013 0.000 1.271 251 V CB -0.288 31.541 31.823 0.009 0.000 1.053 251 V HN 0.243 nan 8.190 nan 0.000 0.476 252 T N 3.047 117.611 114.554 0.016 0.000 2.834 252 T HA 0.205 4.555 4.350 -0.000 0.000 0.298 252 T C -0.253 174.475 174.700 0.047 0.000 0.966 252 T CA 0.413 62.530 62.100 0.027 0.000 1.141 252 T CB 0.647 69.530 68.868 0.025 0.000 0.905 252 T HN 0.500 nan 8.240 nan 0.000 0.535 253 D N 2.377 122.805 120.400 0.046 0.000 2.389 253 D HA 0.006 4.646 4.640 -0.000 0.000 0.263 253 D C 0.380 176.724 176.300 0.073 0.000 1.255 253 D CA -0.049 53.985 54.000 0.056 0.000 0.914 253 D CB 0.426 41.250 40.800 0.040 0.000 1.116 253 D HN 0.331 nan 8.370 nan 0.000 0.502 254 D N 2.426 122.890 120.400 0.108 0.000 2.349 254 D HA -0.009 4.630 4.640 -0.000 0.000 0.214 254 D C 1.510 177.867 176.300 0.096 0.000 1.063 254 D CA 0.189 54.272 54.000 0.138 0.000 0.847 254 D CB 0.416 41.374 40.800 0.263 0.000 0.933 254 D HN 0.417 nan 8.370 nan 0.000 0.513 255 T N 0.913 115.500 114.554 0.055 0.000 2.565 255 T HA -0.285 4.065 4.350 -0.000 0.000 0.265 255 T C 2.011 176.718 174.700 0.012 0.000 1.082 255 T CA 2.207 64.311 62.100 0.007 0.000 1.173 255 T CB -0.260 68.601 68.868 -0.011 0.000 0.864 255 T HN 0.255 nan 8.240 nan 0.000 0.425 256 A N 1.361 124.193 122.820 0.021 0.000 1.877 256 A HA 0.150 4.470 4.320 -0.000 0.000 0.216 256 A C 2.699 180.302 177.584 0.032 0.000 1.186 256 A CA 2.110 54.158 52.037 0.019 0.000 0.620 256 A CB -1.273 17.738 19.000 0.018 0.000 0.822 256 A HN 0.567 nan 8.150 nan 0.000 0.443 257 A N -0.515 122.335 122.820 0.051 0.000 1.892 257 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 257 A C 2.032 179.657 177.584 0.069 0.000 1.188 257 A CA 1.918 53.993 52.037 0.064 0.000 0.631 257 A CB -0.597 18.457 19.000 0.090 0.000 0.822 257 A HN 0.401 nan 8.150 nan 0.000 0.447 258 L N -0.045 121.225 121.223 0.079 0.000 2.056 258 L HA -0.107 4.232 4.340 -0.000 0.000 0.207 258 L C 2.724 179.647 176.870 0.089 0.000 1.078 258 L CA 2.436 57.341 54.840 0.107 0.000 0.749 258 L CB -1.760 40.352 42.059 0.089 0.000 0.901 258 L HN 0.453 nan 8.230 nan 0.000 0.433 259 T N -1.495 113.083 114.554 0.039 0.000 2.708 259 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 259 T C 2.124 176.835 174.700 0.018 0.000 1.037 259 T CA 1.596 63.707 62.100 0.017 0.000 1.146 259 T CB -0.346 68.517 68.868 -0.009 0.000 0.865 259 T HN 0.403 nan 8.240 nan 0.000 0.435 260 S N 1.676 117.388 115.700 0.020 0.000 2.359 260 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 260 S C 2.424 177.031 174.600 0.012 0.000 1.035 260 S CA 1.529 59.737 58.200 0.014 0.000 1.018 260 S CB -0.697 62.514 63.200 0.017 0.000 0.876 260 S HN 0.515 nan 8.310 nan 0.000 0.448 261 A N 1.658 124.492 122.820 0.024 0.000 1.865 261 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 261 A C 2.356 179.926 177.584 -0.022 0.000 1.191 261 A CA 1.786 53.828 52.037 0.007 0.000 0.623 261 A CB -1.085 17.929 19.000 0.025 0.000 0.826 261 A HN 0.601 nan 8.150 nan 0.000 0.444 262 L N -0.536 120.683 121.223 -0.007 0.000 2.042 262 L HA -0.254 4.085 4.340 -0.000 0.000 0.210 262 L C 2.296 179.144 176.870 -0.036 0.000 1.076 262 L CA 1.904 56.721 54.840 -0.038 0.000 0.749 262 L CB -0.663 41.398 42.059 0.004 0.000 0.893 262 L HN 0.501 nan 8.230 nan 0.000 0.432 263 N N -0.633 118.055 118.700 -0.020 0.000 2.309 263 N HA -0.160 4.580 4.740 -0.000 0.000 0.182 263 N C 0.804 176.300 175.510 -0.023 0.000 1.018 263 N CA 0.807 53.845 53.050 -0.021 0.000 0.876 263 N CB 0.072 38.550 38.487 -0.014 0.000 0.972 263 N HN 0.304 nan 8.380 nan 0.000 0.434 264 D N -0.422 119.964 120.400 -0.023 0.000 2.350 264 D HA -0.003 4.637 4.640 -0.000 0.000 0.213 264 D C 0.584 176.865 176.300 -0.031 0.000 1.031 264 D CA 0.566 54.553 54.000 -0.022 0.000 0.861 264 D CB 0.231 41.023 40.800 -0.014 0.000 0.926 264 D HN 0.264 nan 8.370 nan 0.000 0.520 265 T N -1.652 112.874 114.554 -0.046 0.000 2.912 265 T HA 0.633 4.983 4.350 -0.000 0.000 0.288 265 T C -2.861 171.804 174.700 -0.057 0.000 1.030 265 T CA -2.080 59.986 62.100 -0.057 0.000 1.020 265 T CB 2.355 71.173 68.868 -0.083 0.000 1.056 265 T HN -0.339 nan 8.240 nan 0.000 0.480 266 P HA 0.169 nan 4.420 nan 0.000 0.271 266 P C 1.521 178.787 177.300 -0.058 0.000 1.218 266 P CA -0.665 62.408 63.100 -0.046 0.000 0.780 266 P CB 0.543 32.221 31.700 -0.037 0.000 0.901 267 V N 0.584 120.468 119.914 -0.050 0.000 2.568 267 V HA -0.129 3.991 4.120 -0.000 0.000 0.253 267 V C 1.900 177.962 176.094 -0.053 0.000 1.072 267 V CA 2.160 64.428 62.300 -0.053 0.000 1.084 267 V CB -1.887 29.913 31.823 -0.038 0.000 0.676 267 V HN 0.656 nan 8.190 nan 0.000 0.469 268 G N -0.333 108.440 108.800 -0.045 0.000 2.572 268 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.216 268 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.216 268 G C 0.844 175.714 174.900 -0.048 0.000 1.133 268 G CA 0.375 45.452 45.100 -0.039 0.000 0.791 268 G HN 0.630 nan 8.290 nan 0.000 0.538 269 Q N 1.638 121.399 119.800 -0.065 0.000 2.271 269 Q HA 0.162 4.502 4.340 -0.000 0.000 0.273 269 Q C -0.066 175.871 176.000 -0.106 0.000 1.051 269 Q CA 0.018 55.775 55.803 -0.076 0.000 0.901 269 Q CB 0.418 29.106 28.738 -0.083 0.000 1.174 269 Q HN 0.089 nan 8.270 nan 0.000 0.385 270 K N 5.658 126.009 120.400 -0.081 0.000 2.315 270 K HA 0.159 4.479 4.320 -0.000 0.000 0.291 270 K C -0.404 176.122 176.600 -0.124 0.000 1.074 270 K CA -0.141 56.094 56.287 -0.087 0.000 0.936 270 K CB 0.058 32.541 32.500 -0.028 0.000 1.049 270 K HN 0.645 nan 8.250 nan 0.000 0.471 271 I N 2.835 123.249 120.570 -0.260 0.000 2.505 271 I HA -0.063 4.106 4.170 -0.000 0.000 0.287 271 I C 0.803 176.863 176.117 -0.095 0.000 1.104 271 I CA -0.131 61.002 61.300 -0.279 0.000 1.387 271 I CB 0.011 37.638 38.000 -0.623 0.000 1.404 271 I HN 0.398 nan 8.210 nan 0.000 0.528 272 N N 5.409 124.105 118.700 -0.006 0.000 2.406 272 N HA 0.163 4.903 4.740 -0.000 0.000 0.251 272 N C 0.796 176.382 175.510 0.127 0.000 1.069 272 N CA -0.025 53.069 53.050 0.073 0.000 0.947 272 N CB 1.705 40.224 38.487 0.055 0.000 1.111 272 N HN 0.768 nan 8.380 nan 0.000 0.497 273 G N 2.214 111.127 108.800 0.188 0.000 3.088 273 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.212 273 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.212 273 G C 0.353 175.431 174.900 0.298 0.000 1.173 273 G CA -0.336 44.915 45.100 0.252 0.000 0.779 273 G HN 0.791 nan 8.290 nan 0.000 0.540 274 N N -0.238 118.579 118.700 0.195 0.000 2.721 274 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 274 N C 1.458 177.054 175.510 0.145 0.000 1.072 274 N CA 1.398 54.535 53.050 0.144 0.000 0.710 274 N CB -1.429 37.129 38.487 0.119 0.000 0.993 274 N HN 1.003 nan 8.380 nan 0.000 0.547 275 G N -1.154 107.768 108.800 0.203 0.000 2.155 275 G HA2 -0.374 3.585 3.960 -0.000 0.000 0.257 275 G HA3 -0.374 3.585 3.960 -0.000 0.000 0.257 275 G C 0.172 175.241 174.900 0.282 0.000 0.983 275 G CA 1.122 46.360 45.100 0.231 0.000 0.676 275 G HN 0.578 nan 8.290 nan 0.000 0.528 276 K N -0.151 120.372 120.400 0.206 0.000 2.109 276 K HA 0.596 4.916 4.320 -0.000 0.000 0.243 276 K C -0.121 176.433 176.600 -0.076 0.000 1.006 276 K CA -0.284 56.002 56.287 -0.001 0.000 0.917 276 K CB 0.946 33.319 32.500 -0.211 0.000 1.081 276 K HN 0.060 nan 8.250 nan 0.000 0.468 277 T N 1.653 116.060 114.554 -0.246 0.000 2.779 277 T HA 0.359 4.709 4.350 -0.000 0.000 0.280 277 T C -1.216 173.294 174.700 -0.318 0.000 0.987 277 T CA -0.515 61.483 62.100 -0.170 0.000 0.966 277 T CB 0.184 69.044 68.868 -0.013 0.000 0.933 277 T HN 0.268 nan 8.240 nan 0.000 0.442 278 Y N 2.098 122.341 120.300 -0.094 0.000 2.328 278 Y HA 0.405 4.954 4.550 -0.000 0.000 0.336 278 Y C 0.601 176.562 175.900 0.101 0.000 0.960 278 Y CA -1.074 57.031 58.100 0.008 0.000 1.134 278 Y CB 1.211 39.673 38.460 0.003 0.000 1.166 278 Y HN 0.308 nan 8.280 nan 0.000 0.464 279 K N 4.196 124.701 120.400 0.174 0.000 2.322 279 K HA 0.474 4.793 4.320 -0.000 0.000 0.283 279 K C -0.776 175.915 176.600 0.152 0.000 1.042 279 K CA -0.058 56.308 56.287 0.132 0.000 0.958 279 K CB 0.541 33.085 32.500 0.072 0.000 0.984 279 K HN 0.647 nan 8.250 nan 0.000 0.473 280 V N 0.192 120.188 119.914 0.136 0.000 3.130 280 V HA 0.411 4.531 4.120 -0.000 0.000 0.310 280 V C 0.670 176.838 176.094 0.123 0.000 1.158 280 V CA -0.556 61.788 62.300 0.072 0.000 1.029 280 V CB 1.433 33.212 31.823 -0.072 0.000 1.057 280 V HN 0.820 nan 8.190 nan 0.000 0.436 281 T N -2.053 112.541 114.554 0.067 0.000 3.044 281 T HA 0.368 4.718 4.350 -0.000 0.000 0.250 281 T C 0.554 175.333 174.700 0.132 0.000 1.081 281 T CA 0.480 62.655 62.100 0.124 0.000 1.040 281 T CB -0.122 68.778 68.868 0.054 0.000 0.962 281 T HN 0.900 nan 8.240 nan 0.000 0.506 282 S N 0.414 116.025 115.700 -0.148 0.000 2.537 282 S HA 0.522 4.992 4.470 -0.000 0.000 0.270 282 S C -0.910 173.255 174.600 -0.726 0.000 1.142 282 S CA -0.999 56.912 58.200 -0.481 0.000 0.870 282 S CB 1.517 64.561 63.200 -0.261 0.000 1.112 282 S HN 0.299 nan 8.310 nan 0.000 0.466 283 L N 3.758 124.346 121.223 -1.058 0.000 2.462 283 L HA 0.264 4.603 4.340 -0.000 0.000 0.272 283 L C -1.374 175.107 176.870 -0.648 0.000 1.166 283 L CA -1.007 53.276 54.840 -0.928 0.000 0.880 283 L CB -0.125 41.356 42.059 -0.963 0.000 1.142 283 L HN 0.487 nan 8.230 nan 0.000 0.473 284 P HA 0.049 nan 4.420 nan 0.000 0.307 284 P C -0.772 176.325 177.300 -0.337 0.000 1.306 284 P CA -0.537 62.293 63.100 -0.450 0.000 0.742 284 P CB 0.494 31.904 31.700 -0.484 0.000 1.349 285 D N -0.079 120.246 120.400 -0.125 0.000 2.455 285 D HA 0.062 4.702 4.640 -0.000 0.000 0.234 285 D C 1.376 177.735 176.300 0.098 0.000 1.224 285 D CA -0.018 53.967 54.000 -0.027 0.000 0.999 285 D CB -0.778 40.034 40.800 0.020 0.000 1.072 285 D HN 0.166 nan 8.370 nan 0.000 0.514 286 I N 1.477 122.033 120.570 -0.024 0.000 2.335 286 I HA -0.314 3.856 4.170 -0.000 0.000 0.251 286 I C 2.249 178.516 176.117 0.250 0.000 1.129 286 I CA 1.022 62.386 61.300 0.106 0.000 1.402 286 I CB -0.362 37.648 38.000 0.016 0.000 1.069 286 I HN 0.331 nan 8.210 nan 0.000 0.424 287 S N 0.750 116.534 115.700 0.141 0.000 2.507 287 S HA -0.100 4.370 4.470 -0.000 0.000 0.235 287 S C 1.905 176.575 174.600 0.117 0.000 0.988 287 S CA 0.576 58.843 58.200 0.113 0.000 0.944 287 S CB -0.331 62.897 63.200 0.048 0.000 0.762 287 S HN 0.463 nan 8.310 nan 0.000 0.526 288 R N -0.571 120.023 120.500 0.157 0.000 2.317 288 R HA 0.332 4.672 4.340 -0.000 0.000 0.208 288 R C -0.770 175.432 176.300 -0.164 0.000 0.914 288 R CA 0.016 56.102 56.100 -0.022 0.000 1.060 288 R CB 0.117 30.348 30.300 -0.116 0.000 1.015 288 R HN 0.389 nan 8.270 nan 0.000 0.498 289 F N 1.003 120.991 119.950 0.063 0.000 2.458 289 F HA 0.426 4.953 4.527 -0.000 0.000 0.330 289 F C 0.520 176.361 175.800 0.068 0.000 1.082 289 F CA -1.479 56.562 58.000 0.067 0.000 0.995 289 F CB 1.056 40.123 39.000 0.111 0.000 1.170 289 F HN -0.180 nan 8.300 nan 0.000 0.478 290 I N -0.559 120.139 120.570 0.213 0.000 2.797 290 I HA 0.591 4.761 4.170 -0.000 0.000 0.307 290 I C 0.035 176.277 176.117 0.209 0.000 1.033 290 I CA -1.166 60.242 61.300 0.181 0.000 1.071 290 I CB 1.753 39.818 38.000 0.108 0.000 1.255 290 I HN 0.620 nan 8.210 nan 0.000 0.445 291 N N 1.750 120.587 118.700 0.229 0.000 2.725 291 N HA -0.163 4.577 4.740 -0.000 0.000 0.251 291 N C -1.197 174.527 175.510 0.356 0.000 1.031 291 N CA 1.210 54.424 53.050 0.274 0.000 0.720 291 N CB -0.844 37.739 38.487 0.160 0.000 0.930 291 N HN 0.961 nan 8.380 nan 0.000 0.543 292 T N 0.562 115.296 114.554 0.301 0.000 2.916 292 T HA 0.451 4.801 4.350 -0.000 0.000 0.298 292 T C -0.231 174.200 174.700 -0.448 0.000 1.031 292 T CA -0.706 61.373 62.100 -0.034 0.000 0.993 292 T CB 2.179 70.906 68.868 -0.234 0.000 1.045 292 T HN 0.299 nan 8.240 nan 0.000 0.454 293 R N 1.639 121.742 120.500 -0.662 0.000 2.637 293 R HA 0.706 5.046 4.340 -0.000 0.000 0.291 293 R C -1.537 174.423 176.300 -0.567 0.000 0.963 293 R CA -0.693 54.930 56.100 -0.795 0.000 0.901 293 R CB 0.930 30.594 30.300 -1.061 0.000 1.160 293 R HN 0.474 nan 8.270 nan 0.000 0.457 294 F N 2.852 122.788 119.950 -0.023 0.000 2.495 294 F HA 0.365 4.892 4.527 -0.000 0.000 0.327 294 F C -0.192 175.660 175.800 0.087 0.000 1.103 294 F CA -0.886 57.138 58.000 0.040 0.000 0.949 294 F CB 2.024 40.994 39.000 -0.049 0.000 1.142 294 F HN 0.075 nan 8.300 nan 0.000 0.457 295 V N 2.558 122.573 119.914 0.169 0.000 2.394 295 V HA 0.474 4.594 4.120 -0.000 0.000 0.282 295 V C -1.111 175.047 176.094 0.106 0.000 1.031 295 V CA -1.085 61.146 62.300 -0.115 0.000 0.881 295 V CB 0.993 32.688 31.823 -0.215 0.000 0.982 295 V HN 0.773 nan 8.190 nan 0.000 0.451 296 Y N 2.128 122.408 120.300 -0.035 0.000 2.479 296 Y HA 0.506 5.056 4.550 -0.000 0.000 0.338 296 Y C -0.304 175.599 175.900 0.005 0.000 1.055 296 Y CA -0.651 57.442 58.100 -0.011 0.000 1.023 296 Y CB 2.233 40.642 38.460 -0.084 0.000 1.287 296 Y HN 0.725 nan 8.280 nan 0.000 0.447 297 E N 6.320 126.133 120.200 -0.644 0.000 2.261 297 E HA 0.213 4.563 4.350 -0.000 0.000 0.239 297 E C 0.660 176.719 176.600 -0.903 0.000 0.991 297 E CA -0.367 55.683 56.400 -0.582 0.000 0.847 297 E CB 0.910 30.437 29.700 -0.287 0.000 1.223 297 E HN 0.699 nan 8.360 nan 0.000 0.446 298 R N 2.098 121.979 120.500 -1.031 0.000 2.094 298 R HA -0.089 4.251 4.340 -0.000 0.000 0.239 298 R C 0.557 176.696 176.300 -0.269 0.000 1.137 298 R CA 1.113 56.856 56.100 -0.595 0.000 0.943 298 R CB 0.271 30.466 30.300 -0.176 0.000 0.850 298 R HN 0.342 nan 8.270 nan 0.000 0.433 299 I N 2.502 122.944 120.570 -0.213 0.000 2.321 299 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 299 I C -2.256 173.759 176.117 -0.170 0.000 0.998 299 I CA -3.250 57.964 61.300 -0.143 0.000 1.227 299 I CB 1.001 38.936 38.000 -0.107 0.000 1.368 299 I HN -0.051 nan 8.210 nan 0.000 0.466 300 P HA 0.160 nan 4.420 nan 0.000 0.265 300 P C 0.917 178.147 177.300 -0.117 0.000 1.193 300 P CA 0.659 63.688 63.100 -0.118 0.000 0.765 300 P CB 0.626 32.280 31.700 -0.076 0.000 0.823 301 G N 2.205 110.937 108.800 -0.114 0.000 2.199 301 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 301 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 301 G C 0.018 174.794 174.900 -0.207 0.000 0.982 301 G CA -0.259 44.780 45.100 -0.102 0.000 0.632 301 G HN 0.597 nan 8.290 nan 0.000 0.529 302 Q N 1.232 120.870 119.800 -0.271 0.000 2.700 302 Q HA 0.316 4.655 4.340 -0.000 0.000 0.249 302 Q C -2.674 173.207 176.000 -0.198 0.000 1.033 302 Q CA -1.799 53.780 55.803 -0.374 0.000 0.804 302 Q CB 2.375 30.836 28.738 -0.461 0.000 1.164 302 Q HN 0.354 nan 8.270 nan 0.000 0.500 303 P HA 0.087 nan 4.420 nan 0.000 0.271 303 P C -0.672 176.561 177.300 -0.111 0.000 1.220 303 P CA 0.241 63.252 63.100 -0.150 0.000 0.768 303 P CB 1.127 32.747 31.700 -0.133 0.000 0.848 304 L N 3.408 124.543 121.223 -0.147 0.000 2.309 304 L HA 0.521 4.861 4.340 -0.000 0.000 0.261 304 L C -0.315 176.384 176.870 -0.284 0.000 1.021 304 L CA -1.155 53.626 54.840 -0.099 0.000 0.823 304 L CB 1.510 43.533 42.059 -0.060 0.000 1.366 304 L HN 0.296 nan 8.230 nan 0.000 0.423 305 Y N -0.213 119.959 120.300 -0.214 0.000 2.468 305 Y HA 0.554 5.104 4.550 -0.000 0.000 0.342 305 Y C -1.065 174.567 175.900 -0.446 0.000 1.021 305 Y CA -0.604 57.401 58.100 -0.159 0.000 1.079 305 Y CB 1.733 40.122 38.460 -0.118 0.000 1.226 305 Y HN 0.210 nan 8.280 nan 0.000 0.460 306 Y N 0.725 121.111 120.300 0.145 0.000 2.346 306 Y HA 0.667 5.217 4.550 -0.000 0.000 0.332 306 Y C -0.280 175.629 175.900 0.015 0.000 0.985 306 Y CA -1.278 56.875 58.100 0.088 0.000 1.112 306 Y CB 1.706 40.236 38.460 0.117 0.000 1.170 306 Y HN 0.680 nan 8.280 nan 0.000 0.447 307 A N 2.370 125.249 122.820 0.098 0.000 2.274 307 A HA 0.604 4.924 4.320 -0.000 0.000 0.309 307 A C 0.283 177.952 177.584 0.142 0.000 1.226 307 A CA -0.511 51.539 52.037 0.023 0.000 0.853 307 A CB 0.260 19.349 19.000 0.150 0.000 1.146 307 A HN 0.761 nan 8.150 nan 0.000 0.518 308 S N 2.508 118.287 115.700 0.132 0.000 2.634 308 S HA 0.274 4.744 4.470 -0.000 0.000 0.261 308 S C 0.097 174.833 174.600 0.226 0.000 1.271 308 S CA -0.533 57.792 58.200 0.208 0.000 0.985 308 S CB 0.305 63.646 63.200 0.235 0.000 0.968 308 S HN 0.665 nan 8.310 nan 0.000 0.568 309 E N 1.090 121.409 120.200 0.198 0.000 2.452 309 E HA 0.036 4.386 4.350 -0.000 0.000 0.261 309 E C 0.602 177.312 176.600 0.183 0.000 0.987 309 E CA 0.679 57.182 56.400 0.172 0.000 0.926 309 E CB 0.012 29.787 29.700 0.125 0.000 0.934 309 E HN 0.825 nan 8.360 nan 0.000 0.452 310 E N 0.271 120.571 120.200 0.167 0.000 4.028 310 E HA -0.304 4.046 4.350 -0.000 0.000 0.343 310 E C 0.721 177.413 176.600 0.154 0.000 0.700 310 E CA 0.630 57.109 56.400 0.133 0.000 1.288 310 E CB -1.501 28.258 29.700 0.098 0.000 1.677 310 E HN 0.529 nan 8.360 nan 0.000 0.424 311 F N 1.393 121.395 119.950 0.087 0.000 2.102 311 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 311 F C 1.324 177.173 175.800 0.081 0.000 1.105 311 F CA 1.603 59.650 58.000 0.078 0.000 1.239 311 F CB 0.336 39.383 39.000 0.079 0.000 0.991 311 F HN 0.000 nan 8.300 nan 0.000 0.474 312 V N 0.104 120.105 119.914 0.146 0.000 2.732 312 V HA 0.401 4.521 4.120 -0.000 0.000 0.310 312 V C -0.512 175.627 176.094 0.074 0.000 1.053 312 V CA -0.824 61.502 62.300 0.043 0.000 0.957 312 V CB 1.623 33.531 31.823 0.142 0.000 1.018 312 V HN 0.178 nan 8.190 nan 0.000 0.452 313 Q N 2.894 122.717 119.800 0.038 0.000 2.402 313 Q HA 0.620 4.960 4.340 -0.000 0.000 0.238 313 Q C 0.125 176.189 176.000 0.106 0.000 1.126 313 Q CA 0.421 56.262 55.803 0.064 0.000 0.904 313 Q CB 0.889 29.652 28.738 0.042 0.000 1.357 313 Q HN 1.131 nan 8.270 nan 0.000 0.491 314 G N 1.769 110.628 108.800 0.098 0.000 2.677 314 G HA2 0.523 4.483 3.960 -0.000 0.000 0.291 314 G HA3 0.523 4.483 3.960 -0.000 0.000 0.291 314 G C -1.796 172.976 174.900 -0.214 0.000 1.435 314 G CA -0.440 44.657 45.100 -0.005 0.000 0.826 314 G HN 0.399 nan 8.290 nan 0.000 0.491 315 E N -0.285 119.545 120.200 -0.616 0.000 2.352 315 E HA 0.448 4.798 4.350 -0.000 0.000 0.280 315 E C -1.786 174.476 176.600 -0.564 0.000 0.930 315 E CA -0.789 55.337 56.400 -0.456 0.000 0.765 315 E CB 2.578 32.113 29.700 -0.275 0.000 1.219 315 E HN 0.430 nan 8.360 nan 0.000 0.434 316 L N 4.439 125.485 121.223 -0.294 0.000 2.292 316 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 316 L C -1.554 175.236 176.870 -0.133 0.000 1.065 316 L CA 0.211 55.049 54.840 -0.003 0.000 0.806 316 L CB 0.397 42.578 42.059 0.204 0.000 1.175 316 L HN 0.471 nan 8.230 nan 0.000 0.431 317 F N 3.528 123.510 119.950 0.053 0.000 2.492 317 F HA 0.490 5.017 4.527 -0.000 0.000 0.327 317 F C 0.036 175.799 175.800 -0.062 0.000 1.079 317 F CA -0.757 57.250 58.000 0.012 0.000 0.967 317 F CB 1.574 40.602 39.000 0.047 0.000 1.169 317 F HN 0.346 nan 8.300 nan 0.000 0.472 318 K N 3.448 123.836 120.400 -0.019 0.000 2.211 318 K HA 0.466 4.786 4.320 -0.000 0.000 0.275 318 K C 0.233 176.582 176.600 -0.419 0.000 1.024 318 K CA -0.325 55.679 56.287 -0.472 0.000 0.887 318 K CB 0.730 32.942 32.500 -0.480 0.000 1.084 318 K HN 0.801 nan 8.250 nan 0.000 0.463 319 I N 0.102 120.274 120.570 -0.664 0.000 4.288 319 I HA 0.198 4.367 4.170 -0.000 0.000 0.331 319 I C -0.002 175.781 176.117 -0.557 0.000 1.322 319 I CA -0.378 60.462 61.300 -0.767 0.000 1.149 319 I CB 0.886 37.930 38.000 -1.593 0.000 1.112 319 I HN 0.517 nan 8.210 nan 0.000 0.403 320 T N -2.007 112.225 114.554 -0.537 0.000 2.916 320 T HA 0.579 4.928 4.350 -0.000 0.000 0.292 320 T C -1.025 173.497 174.700 -0.296 0.000 1.055 320 T CA -0.445 61.443 62.100 -0.353 0.000 1.009 320 T CB 2.598 71.242 68.868 -0.372 0.000 1.118 320 T HN 0.113 nan 8.240 nan 0.000 0.497 321 D N 0.642 120.951 120.400 -0.151 0.000 2.752 321 D HA 0.333 4.973 4.640 -0.000 0.000 0.242 321 D C -1.247 175.048 176.300 -0.008 0.000 1.295 321 D CA -0.031 53.911 54.000 -0.097 0.000 0.846 321 D CB 0.814 41.562 40.800 -0.087 0.000 1.454 321 D HN 0.654 nan 8.370 nan 0.000 0.535 322 T N 1.554 116.124 114.554 0.027 0.000 2.909 322 T HA 0.422 4.772 4.350 -0.000 0.000 0.299 322 T C -2.007 172.747 174.700 0.089 0.000 1.073 322 T CA -1.378 60.795 62.100 0.122 0.000 0.999 322 T CB 2.426 71.435 68.868 0.234 0.000 1.098 322 T HN -0.100 nan 8.240 nan 0.000 0.477 323 P HA 0.054 nan 4.420 nan 0.000 0.226 323 P C -0.154 177.071 177.300 -0.126 0.000 1.153 323 P CA 0.576 63.612 63.100 -0.106 0.000 0.777 323 P CB -0.052 31.505 31.700 -0.238 0.000 0.794 324 Y N -1.727 118.630 120.300 0.096 0.000 2.385 324 Y HA 0.024 4.574 4.550 -0.000 0.000 0.346 324 Y C 0.974 177.014 175.900 0.234 0.000 1.270 324 Y CA -0.382 57.831 58.100 0.189 0.000 1.472 324 Y CB -0.128 38.485 38.460 0.254 0.000 1.354 324 Y HN -0.101 nan 8.280 nan 0.000 0.611 325 Y N 3.060 123.553 120.300 0.321 0.000 2.624 325 Y HA 0.132 4.682 4.550 -0.000 0.000 0.354 325 Y C -0.669 175.352 175.900 0.201 0.000 1.051 325 Y CA -0.871 57.321 58.100 0.154 0.000 1.377 325 Y CB -0.751 37.695 38.460 -0.023 0.000 1.168 325 Y HN 0.466 nan 8.280 nan 0.000 0.525 326 N N 4.860 123.702 118.700 0.237 0.000 2.457 326 N HA 0.706 5.446 4.740 -0.000 0.000 0.250 326 N C -0.946 174.539 175.510 -0.042 0.000 0.982 326 N CA -0.319 52.853 53.050 0.203 0.000 0.941 326 N CB 1.033 39.528 38.487 0.012 0.000 1.120 326 N HN 0.644 nan 8.380 nan 0.000 0.505 327 A N 1.520 124.345 122.820 0.009 0.000 2.493 327 A HA 0.507 4.827 4.320 -0.000 0.000 0.300 327 A C -1.400 176.139 177.584 -0.074 0.000 1.152 327 A CA -0.760 51.012 52.037 -0.441 0.000 0.643 327 A CB 0.675 18.921 19.000 -1.257 0.000 1.316 327 A HN 0.714 nan 8.150 nan 0.000 0.469 328 W N -2.486 118.893 121.300 0.132 0.000 5.721 328 W HA -0.117 4.542 4.660 -0.000 0.000 0.406 328 W C -2.243 174.361 176.519 0.141 0.000 1.576 328 W CA 0.213 57.632 57.345 0.123 0.000 0.977 328 W CB -2.328 27.170 29.460 0.063 0.000 2.771 328 W HN 0.556 nan 8.180 nan 0.000 1.435 329 P HA -0.194 nan 4.420 nan 0.000 0.219 329 P C 1.103 178.532 177.300 0.216 0.000 1.146 329 P CA 1.972 65.202 63.100 0.217 0.000 0.808 329 P CB 0.108 31.877 31.700 0.115 0.000 0.779 330 Q N 0.849 120.800 119.800 0.252 0.000 2.308 330 Q HA -0.031 4.309 4.340 -0.000 0.000 0.313 330 Q C -0.355 175.689 176.000 0.074 0.000 1.075 330 Q CA 0.357 56.292 55.803 0.222 0.000 0.995 330 Q CB -0.298 28.683 28.738 0.405 0.000 1.107 330 Q HN -0.022 nan 8.270 nan 0.000 0.380 331 D N 2.718 123.048 120.400 -0.117 0.000 2.412 331 D HA 0.213 4.853 4.640 -0.000 0.000 0.276 331 D C -0.530 175.803 176.300 0.054 0.000 1.196 331 D CA -0.539 53.439 54.000 -0.036 0.000 0.905 331 D CB 0.546 41.238 40.800 -0.179 0.000 1.081 331 D HN 0.642 nan 8.370 nan 0.000 0.502 332 K N 0.645 121.120 120.400 0.125 0.000 2.440 332 K HA 0.371 4.691 4.320 -0.000 0.000 0.207 332 K C 0.634 177.389 176.600 0.258 0.000 1.112 332 K CA -0.423 55.966 56.287 0.170 0.000 1.036 332 K CB 1.334 33.938 32.500 0.175 0.000 0.935 332 K HN 0.280 nan 8.250 nan 0.000 0.564 333 A N 1.805 124.743 122.820 0.197 0.000 2.425 333 A HA 0.493 4.813 4.320 -0.000 0.000 0.242 333 A C -0.164 177.546 177.584 0.210 0.000 1.077 333 A CA 0.110 52.222 52.037 0.125 0.000 0.781 333 A CB -0.253 18.807 19.000 0.099 0.000 1.020 333 A HN 0.299 nan 8.150 nan 0.000 0.494 334 F N -0.695 119.301 119.950 0.076 0.000 2.741 334 F HA 0.582 5.109 4.527 -0.000 0.000 0.311 334 F C -0.903 174.952 175.800 0.091 0.000 1.149 334 F CA -1.143 56.888 58.000 0.050 0.000 0.930 334 F CB 1.075 40.042 39.000 -0.055 0.000 1.312 334 F HN 0.729 nan 8.300 nan 0.000 0.450 335 V N 1.542 121.623 119.914 0.279 0.000 2.628 335 V HA 0.786 4.906 4.120 -0.000 0.000 0.306 335 V C -2.269 174.074 176.094 0.414 0.000 1.045 335 V CA -0.667 61.769 62.300 0.227 0.000 0.905 335 V CB 1.706 33.581 31.823 0.086 0.000 0.997 335 V HN 1.070 nan 8.190 nan 0.000 0.436 336 Y N 3.797 124.240 120.300 0.237 0.000 2.386 336 Y HA 0.467 5.017 4.550 -0.000 0.000 0.334 336 Y C 0.264 176.238 175.900 0.124 0.000 1.002 336 Y CA -0.642 57.561 58.100 0.172 0.000 1.068 336 Y CB 1.665 40.207 38.460 0.137 0.000 1.203 336 Y HN 0.956 nan 8.280 nan 0.000 0.443 337 E N 4.991 124.909 120.200 -0.470 0.000 2.149 337 E HA -0.400 3.950 4.350 -0.000 0.000 0.191 337 E C 0.064 176.589 176.600 -0.125 0.000 1.384 337 E CA 1.480 57.676 56.400 -0.340 0.000 0.698 337 E CB -1.237 28.204 29.700 -0.433 0.000 1.086 337 E HN 0.983 nan 8.360 nan 0.000 0.338 338 N N -2.841 115.811 118.700 -0.080 0.000 2.972 338 N HA -0.209 4.531 4.740 -0.000 0.000 0.225 338 N C -0.271 175.169 175.510 -0.117 0.000 0.883 338 N CA 1.241 54.246 53.050 -0.075 0.000 1.010 338 N CB -0.482 37.961 38.487 -0.073 0.000 1.052 338 N HN 0.202 nan 8.380 nan 0.000 0.598 339 V N 1.746 121.606 119.914 -0.090 0.000 2.465 339 V HA 0.402 4.522 4.120 -0.000 0.000 0.279 339 V C 0.536 176.485 176.094 -0.241 0.000 1.045 339 V CA -0.394 61.771 62.300 -0.226 0.000 0.938 339 V CB 1.310 32.987 31.823 -0.245 0.000 0.986 339 V HN 0.099 nan 8.190 nan 0.000 0.467 340 I N 5.280 125.579 120.570 -0.451 0.000 2.342 340 I HA 0.331 4.501 4.170 -0.000 0.000 0.291 340 I C -0.794 175.015 176.117 -0.512 0.000 1.010 340 I CA -0.191 60.861 61.300 -0.412 0.000 1.308 340 I CB 0.577 38.260 38.000 -0.529 0.000 1.400 340 I HN 0.471 nan 8.210 nan 0.000 0.488 341 Y N 4.654 124.593 120.300 -0.601 0.000 2.341 341 Y HA 0.608 5.158 4.550 -0.000 0.000 0.337 341 Y C 0.346 176.003 175.900 -0.405 0.000 1.014 341 Y CA -0.910 56.745 58.100 -0.742 0.000 1.111 341 Y CB 1.866 39.369 38.460 -1.595 0.000 1.194 341 Y HN 0.569 nan 8.280 nan 0.000 0.462 342 A N 6.114 128.929 122.820 -0.008 0.000 2.802 342 A HA 0.581 4.901 4.320 -0.000 0.000 0.344 342 A C -2.919 174.842 177.584 0.294 0.000 1.215 342 A CA -1.741 50.340 52.037 0.073 0.000 0.821 342 A CB -0.134 18.817 19.000 -0.080 0.000 1.099 342 A HN 0.397 nan 8.150 nan 0.000 0.479 343 P HA 0.532 nan 4.420 nan 0.000 0.274 343 P C -0.667 176.905 177.300 0.454 0.000 1.237 343 P CA 0.108 63.490 63.100 0.471 0.000 0.793 343 P CB 0.382 32.340 31.700 0.429 0.000 0.977 344 Y N -2.278 118.122 120.300 0.167 0.000 2.930 344 Y HA 0.657 5.206 4.550 -0.000 0.000 0.336 344 Y C -1.561 174.422 175.900 0.140 0.000 1.416 344 Y CA -1.401 56.790 58.100 0.152 0.000 1.091 344 Y CB 0.736 39.273 38.460 0.129 0.000 1.631 344 Y HN 0.052 nan 8.280 nan 0.000 0.436 345 M N 1.710 121.484 119.600 0.290 0.000 2.243 345 M HA 0.575 5.055 4.480 -0.000 0.000 0.324 345 M C -0.354 176.152 176.300 0.343 0.000 1.031 345 M CA -0.696 54.670 55.300 0.111 0.000 0.949 345 M CB 2.235 34.871 32.600 0.059 0.000 1.615 345 M HN 0.888 nan 8.290 nan 0.000 0.430 346 G N 1.746 110.584 108.800 0.063 0.000 2.415 346 G HA2 0.600 4.560 3.960 -0.000 0.000 0.317 346 G HA3 0.600 4.560 3.960 -0.000 0.000 0.317 346 G C -0.382 174.522 174.900 0.007 0.000 1.152 346 G CA -0.305 44.915 45.100 0.201 0.000 0.956 346 G HN 0.767 nan 8.290 nan 0.000 0.458 347 S N 0.701 116.535 115.700 0.223 0.000 3.081 347 S HA 0.628 5.098 4.470 -0.000 0.000 0.316 347 S C 0.259 175.023 174.600 0.273 0.000 1.089 347 S CA 0.010 58.286 58.200 0.126 0.000 0.897 347 S CB 1.895 65.107 63.200 0.019 0.000 1.358 347 S HN 0.424 nan 8.310 nan 0.000 0.678 348 D N -0.719 119.744 120.400 0.104 0.000 2.469 348 D HA 0.250 4.889 4.640 -0.000 0.000 0.213 348 D C 0.532 176.673 176.300 -0.265 0.000 1.135 348 D CA -0.265 53.703 54.000 -0.054 0.000 0.834 348 D CB 0.096 40.954 40.800 0.098 0.000 1.009 348 D HN 0.768 nan 8.370 nan 0.000 0.507 349 R N -1.605 118.771 120.500 -0.206 0.000 2.855 349 R HA 0.238 4.578 4.340 -0.000 0.000 0.274 349 R C -1.448 174.677 176.300 -0.291 0.000 0.997 349 R CA -0.757 55.184 56.100 -0.265 0.000 0.856 349 R CB -0.180 30.067 30.300 -0.089 0.000 1.378 349 R HN -0.177 nan 8.270 nan 0.000 0.462 350 H N -0.185 118.721 119.070 -0.274 0.000 3.513 350 H HA 0.477 5.032 4.556 -0.000 0.000 0.253 350 H C 0.247 175.453 175.328 -0.202 0.000 1.514 350 H CA 1.786 57.749 56.048 -0.142 0.000 1.565 350 H CB 0.178 29.942 29.762 0.003 0.000 1.776 350 H HN 0.836 nan 8.280 nan 0.000 0.562 351 G N -0.334 108.303 108.800 -0.272 0.000 2.320 351 G HA2 0.124 4.084 3.960 -0.000 0.000 0.297 351 G HA3 0.124 4.084 3.960 -0.000 0.000 0.297 351 G C 0.229 174.996 174.900 -0.222 0.000 1.344 351 G CA -0.263 44.707 45.100 -0.217 0.000 0.851 351 G HN 0.427 nan 8.290 nan 0.000 0.567 352 V N -1.890 117.922 119.914 -0.170 0.000 3.649 352 V HA 0.417 4.537 4.120 -0.000 0.000 0.275 352 V C 1.424 177.485 176.094 -0.054 0.000 1.281 352 V CA 1.009 63.232 62.300 -0.129 0.000 1.143 352 V CB 0.016 31.761 31.823 -0.131 0.000 0.892 352 V HN 1.293 nan 8.190 nan 0.000 0.441 353 S N 1.529 117.212 115.700 -0.028 0.000 2.575 353 S HA 0.182 4.652 4.470 -0.000 0.000 0.295 353 S C 1.112 175.751 174.600 0.064 0.000 1.267 353 S CA 0.425 58.670 58.200 0.075 0.000 1.074 353 S CB -0.486 62.729 63.200 0.026 0.000 0.829 353 S HN 0.716 nan 8.310 nan 0.000 0.497 354 R N -0.085 120.479 120.500 0.107 0.000 3.946 354 R HA -0.178 4.162 4.340 -0.000 0.000 0.329 354 R C -0.197 175.907 176.300 -0.326 0.000 1.209 354 R CA 0.738 56.782 56.100 -0.093 0.000 0.909 354 R CB -1.727 28.648 30.300 0.125 0.000 1.355 354 R HN 0.557 nan 8.270 nan 0.000 0.539 355 L N 1.788 122.795 121.223 -0.361 0.000 2.331 355 L HA 0.299 4.639 4.340 -0.000 0.000 0.278 355 L C -0.077 176.360 176.870 -0.722 0.000 1.106 355 L CA 0.233 54.828 54.840 -0.407 0.000 0.824 355 L CB 0.631 42.551 42.059 -0.231 0.000 1.142 355 L HN 0.063 nan 8.230 nan 0.000 0.443 356 H N 4.309 123.075 119.070 -0.507 0.000 2.529 356 H HA 0.358 4.913 4.556 -0.000 0.000 0.348 356 H C -0.632 174.464 175.328 -0.386 0.000 1.079 356 H CA -0.770 54.943 56.048 -0.560 0.000 1.198 356 H CB 2.138 31.227 29.762 -1.122 0.000 1.521 356 H HN 0.436 nan 8.280 nan 0.000 0.514 357 V N 3.444 123.242 119.914 -0.195 0.000 2.529 357 V HA 0.095 4.215 4.120 -0.000 0.000 0.292 357 V C 0.428 176.380 176.094 -0.237 0.000 1.028 357 V CA 0.451 62.612 62.300 -0.231 0.000 1.074 357 V CB 0.528 32.200 31.823 -0.251 0.000 0.958 357 V HN 0.756 nan 8.190 nan 0.000 0.481 358 S N 3.496 118.970 115.700 -0.376 0.000 2.661 358 S HA 0.863 5.333 4.470 -0.000 0.000 0.285 358 S C -1.255 173.211 174.600 -0.223 0.000 1.138 358 S CA -0.723 57.248 58.200 -0.383 0.000 0.855 358 S CB 2.215 65.037 63.200 -0.630 0.000 1.136 358 S HN 0.874 nan 8.310 nan 0.000 0.484 359 W N 0.107 121.415 121.300 0.013 0.000 3.075 359 W HA 0.780 5.440 4.660 -0.000 0.000 0.334 359 W C -1.696 174.980 176.519 0.261 0.000 1.243 359 W CA -1.451 56.020 57.345 0.210 0.000 1.170 359 W CB -0.348 29.223 29.460 0.186 0.000 1.452 359 W HN 0.624 nan 8.180 nan 0.000 0.572 360 V N -0.199 120.028 119.914 0.521 0.000 2.864 360 V HA 0.844 4.964 4.120 -0.000 0.000 0.314 360 V C -0.539 175.643 176.094 0.146 0.000 1.073 360 V CA -1.662 60.815 62.300 0.294 0.000 0.956 360 V CB 1.596 33.538 31.823 0.198 0.000 1.023 360 V HN 0.654 nan 8.190 nan 0.000 0.435 361 K N 1.400 121.806 120.400 0.011 0.000 2.443 361 K HA 0.764 5.083 4.320 -0.000 0.000 0.251 361 K C -0.890 175.462 176.600 -0.413 0.000 0.972 361 K CA -0.613 55.464 56.287 -0.349 0.000 0.833 361 K CB 2.214 34.200 32.500 -0.856 0.000 1.317 361 K HN 0.709 nan 8.250 nan 0.000 0.441 362 S N -0.184 114.976 115.700 -0.901 0.000 2.473 362 S HA 0.467 4.937 4.470 -0.000 0.000 0.307 362 S C 0.380 174.544 174.600 -0.727 0.000 1.094 362 S CA -0.584 56.912 58.200 -1.173 0.000 1.070 362 S CB 1.051 63.007 63.200 -2.073 0.000 1.019 362 S HN 0.790 nan 8.310 nan 0.000 0.480 363 G N 2.010 110.496 108.800 -0.524 0.000 3.189 363 G HA2 0.175 4.135 3.960 -0.000 0.000 0.225 363 G HA3 0.175 4.135 3.960 -0.000 0.000 0.225 363 G C 0.034 174.769 174.900 -0.276 0.000 1.159 363 G CA -0.034 44.859 45.100 -0.345 0.000 0.763 363 G HN 0.794 nan 8.290 nan 0.000 0.549 364 D N -0.991 119.201 120.400 -0.346 0.000 2.865 364 D HA 0.139 4.779 4.640 -0.000 0.000 0.347 364 D C -0.154 175.969 176.300 -0.295 0.000 1.498 364 D CA -0.699 53.167 54.000 -0.223 0.000 0.787 364 D CB -0.347 40.413 40.800 -0.068 0.000 1.190 364 D HN -0.049 nan 8.370 nan 0.000 0.445 365 D N 0.147 120.337 120.400 -0.350 0.000 2.870 365 D HA -0.108 4.532 4.640 -0.000 0.000 0.228 365 D C 1.349 177.440 176.300 -0.348 0.000 1.147 365 D CA 1.690 55.519 54.000 -0.285 0.000 0.757 365 D CB -1.493 39.227 40.800 -0.134 0.000 1.091 365 D HN 0.778 nan 8.370 nan 0.000 0.429 366 G N -0.727 107.682 108.800 -0.652 0.000 2.176 366 G HA2 -0.395 3.564 3.960 -0.000 0.000 0.232 366 G HA3 -0.395 3.564 3.960 -0.000 0.000 0.232 366 G C 0.945 175.297 174.900 -0.914 0.000 0.986 366 G CA 0.578 45.236 45.100 -0.736 0.000 0.643 366 G HN 0.464 nan 8.290 nan 0.000 0.522 367 Q N -0.510 118.862 119.800 -0.713 0.000 2.167 367 Q HA 0.071 4.411 4.340 -0.000 0.000 0.202 367 Q C 0.736 176.591 176.000 -0.241 0.000 0.970 367 Q CA 1.564 57.069 55.803 -0.496 0.000 0.855 367 Q CB 0.173 28.619 28.738 -0.486 0.000 0.911 367 Q HN 0.435 nan 8.270 nan 0.000 0.438 368 T N -0.688 113.623 114.554 -0.405 0.000 2.956 368 T HA 0.425 4.775 4.350 -0.000 0.000 0.312 368 T C -2.023 172.369 174.700 -0.513 0.000 1.151 368 T CA -0.606 61.366 62.100 -0.213 0.000 1.024 368 T CB 0.924 69.786 68.868 -0.010 0.000 1.140 368 T HN 0.113 nan 8.240 nan 0.000 0.473 369 W N 1.519 122.716 121.300 -0.172 0.000 2.902 369 W HA 0.643 5.303 4.660 0.000 0.000 0.346 369 W C 0.429 176.864 176.519 -0.140 0.000 1.139 369 W CA -0.745 56.492 57.345 -0.180 0.000 1.139 369 W CB 1.161 30.507 29.460 -0.190 0.000 1.439 369 W HN 0.683 nan 8.180 nan 0.000 0.558 370 S N -0.485 115.280 115.700 0.108 0.000 2.669 370 S HA 0.508 4.978 4.470 -0.000 0.000 0.270 370 S C -0.044 174.599 174.600 0.071 0.000 1.225 370 S CA -0.653 57.569 58.200 0.037 0.000 0.991 370 S CB 0.738 63.931 63.200 -0.013 0.000 0.987 370 S HN 0.340 nan 8.310 nan 0.000 0.552 371 T N 3.777 118.354 114.554 0.039 0.000 2.902 371 T HA 0.265 4.615 4.350 -0.000 0.000 0.301 371 T C -2.334 172.409 174.700 0.071 0.000 1.012 371 T CA -0.349 61.771 62.100 0.033 0.000 1.151 371 T CB -0.251 68.610 68.868 -0.011 0.000 0.946 371 T HN 0.522 nan 8.240 nan 0.000 0.542 372 P HA 0.076 nan 4.420 nan 0.000 0.263 372 P C -0.291 177.028 177.300 0.032 0.000 1.175 372 P CA 0.121 63.318 63.100 0.162 0.000 0.761 372 P CB 0.428 32.253 31.700 0.208 0.000 0.794 373 E N 2.539 122.803 120.200 0.105 0.000 2.210 373 E HA 0.254 4.603 4.350 -0.000 0.000 0.266 373 E C -1.118 175.474 176.600 -0.014 0.000 0.883 373 E CA -0.808 55.590 56.400 -0.003 0.000 0.761 373 E CB 0.668 30.458 29.700 0.150 0.000 1.156 373 E HN 0.248 nan 8.360 nan 0.000 0.412 374 W N 5.785 127.004 121.300 -0.136 0.000 2.311 374 W HA 0.237 4.896 4.660 -0.000 0.000 0.310 374 W C 0.535 176.967 176.519 -0.144 0.000 1.274 374 W CA -0.670 56.556 57.345 -0.198 0.000 1.215 374 W CB 0.413 29.686 29.460 -0.312 0.000 1.227 374 W HN 0.718 nan 8.180 nan 0.000 0.523 375 L N 2.248 123.487 121.223 0.027 0.000 2.354 375 L HA 0.030 4.370 4.340 -0.000 0.000 0.212 375 L C 1.362 178.333 176.870 0.169 0.000 1.091 375 L CA 0.934 55.790 54.840 0.028 0.000 0.828 375 L CB -0.350 41.595 42.059 -0.190 0.000 0.973 375 L HN 0.324 nan 8.230 nan 0.000 0.461 376 T N -4.011 110.589 114.554 0.076 0.000 2.908 376 T HA 0.402 4.752 4.350 -0.000 0.000 0.290 376 T C -0.526 174.304 174.700 0.216 0.000 1.034 376 T CA -0.977 61.170 62.100 0.079 0.000 1.010 376 T CB 2.377 71.158 68.868 -0.146 0.000 1.068 376 T HN -0.189 nan 8.240 nan 0.000 0.481 377 D N 0.979 121.532 120.400 0.255 0.000 2.387 377 D HA 0.356 4.996 4.640 -0.000 0.000 0.251 377 D C 0.494 176.892 176.300 0.163 0.000 1.141 377 D CA -0.466 53.678 54.000 0.241 0.000 0.987 377 D CB 1.030 41.951 40.800 0.201 0.000 1.116 377 D HN 0.510 nan 8.370 nan 0.000 0.491 378 L N 1.176 122.380 121.223 -0.032 0.000 2.485 378 L HA -0.001 4.339 4.340 -0.000 0.000 0.275 378 L C 1.289 178.122 176.870 -0.062 0.000 1.207 378 L CA 0.043 54.743 54.840 -0.233 0.000 0.855 378 L CB 0.170 41.908 42.059 -0.535 0.000 1.114 378 L HN 0.328 nan 8.230 nan 0.000 0.485 379 H N 4.675 123.572 119.070 -0.288 0.000 2.948 379 H HA -0.007 4.549 4.556 -0.000 0.000 0.351 379 H C -1.705 173.571 175.328 -0.086 0.000 1.079 379 H CA -1.038 54.788 56.048 -0.370 0.000 1.407 379 H CB 1.410 30.822 29.762 -0.583 0.000 1.373 379 H HN 0.367 nan 8.280 nan 0.000 0.605 380 P HA -0.135 nan 4.420 nan 0.000 0.216 380 P C 0.411 177.806 177.300 0.159 0.000 1.150 380 P CA 1.426 64.530 63.100 0.007 0.000 0.843 380 P CB 0.303 31.956 31.700 -0.079 0.000 0.787 381 D N -3.028 117.608 120.400 0.395 0.000 2.342 381 D HA 0.022 4.662 4.640 -0.000 0.000 0.221 381 D C 0.239 176.594 176.300 0.091 0.000 1.101 381 D CA -0.284 53.842 54.000 0.209 0.000 0.837 381 D CB -0.731 40.156 40.800 0.144 0.000 0.938 381 D HN 0.182 nan 8.370 nan 0.000 0.508 382 Y N 2.699 123.002 120.300 0.005 0.000 2.702 382 Y HA 0.043 4.593 4.550 -0.000 0.000 0.336 382 Y C -1.241 174.636 175.900 -0.038 0.000 1.235 382 Y CA -0.871 57.192 58.100 -0.061 0.000 1.492 382 Y CB 0.873 39.297 38.460 -0.060 0.000 1.308 382 Y HN -0.038 nan 8.280 nan 0.000 0.589 383 P HA 0.135 nan 4.420 nan 0.000 0.254 383 P C 0.344 177.296 177.300 -0.580 0.000 1.620 383 P CA 0.173 62.629 63.100 -1.072 0.000 1.050 383 P CB 0.365 31.540 31.700 -0.876 0.000 1.539 384 T N -0.539 113.817 114.554 -0.331 0.000 2.812 384 T HA 0.041 4.391 4.350 -0.000 0.000 0.264 384 T C 1.108 175.637 174.700 -0.284 0.000 1.042 384 T CA 1.166 63.114 62.100 -0.253 0.000 1.140 384 T CB -0.116 68.650 68.868 -0.170 0.000 0.870 384 T HN 0.159 nan 8.240 nan 0.000 0.445 385 V N -1.362 118.351 119.914 -0.335 0.000 3.159 385 V HA 0.717 4.837 4.120 -0.000 0.000 0.308 385 V C -1.218 174.655 176.094 -0.368 0.000 1.190 385 V CA -1.282 60.783 62.300 -0.392 0.000 1.037 385 V CB 2.334 33.822 31.823 -0.559 0.000 1.060 385 V HN 0.280 nan 8.190 nan 0.000 0.437 386 N N -0.612 117.889 118.700 -0.331 0.000 2.823 386 N HA 0.514 5.254 4.740 -0.000 0.000 0.251 386 N C -1.707 173.653 175.510 -0.250 0.000 1.392 386 N CA -0.642 52.251 53.050 -0.262 0.000 0.864 386 N CB 2.115 40.584 38.487 -0.029 0.000 1.481 386 N HN 0.710 nan 8.380 nan 0.000 0.508 387 Y N 0.779 121.054 120.300 -0.041 0.000 2.296 387 Y HA 0.285 4.835 4.550 -0.000 0.000 0.343 387 Y C 0.663 176.509 175.900 -0.090 0.000 1.292 387 Y CA 0.305 58.341 58.100 -0.106 0.000 1.490 387 Y CB 0.272 38.609 38.460 -0.205 0.000 1.359 387 Y HN 0.336 nan 8.280 nan 0.000 0.599 388 H N -0.390 118.647 119.070 -0.054 0.000 3.094 388 H HA 0.392 4.947 4.556 -0.000 0.000 0.335 388 H C -1.925 173.307 175.328 -0.160 0.000 1.254 388 H CA -0.836 55.125 56.048 -0.144 0.000 1.240 388 H CB 1.797 31.470 29.762 -0.148 0.000 1.936 388 H HN 0.822 nan 8.280 nan 0.000 0.536 389 C N 6.047 125.042 119.300 -0.508 0.000 2.871 389 C HA 0.447 4.907 4.460 -0.000 0.000 0.378 389 C C -0.077 174.740 174.990 -0.289 0.000 1.052 389 C CA -0.367 58.462 59.018 -0.315 0.000 1.250 389 C CB 0.436 28.012 27.740 -0.272 0.000 1.689 389 C HN 0.956 nan 8.230 nan 0.000 0.506 390 M N 3.389 122.918 119.600 -0.119 0.000 2.414 390 M HA 0.251 4.731 4.480 -0.000 0.000 0.357 390 M C 0.198 176.502 176.300 0.005 0.000 1.059 390 M CA 0.305 55.593 55.300 -0.021 0.000 0.959 390 M CB 0.760 33.424 32.600 0.106 0.000 1.522 390 M HN 0.622 nan 8.290 nan 0.000 0.551 391 S N 1.668 117.389 115.700 0.036 0.000 2.779 391 S HA 0.759 5.228 4.470 -0.000 0.000 0.293 391 S C -1.095 173.542 174.600 0.061 0.000 1.150 391 S CA -0.517 57.748 58.200 0.107 0.000 1.057 391 S CB 1.033 64.353 63.200 0.201 0.000 1.021 391 S HN 0.402 nan 8.310 nan 0.000 0.485 392 M N 4.853 124.446 119.600 -0.011 0.000 2.413 392 M HA 0.724 5.203 4.480 -0.000 0.000 0.287 392 M C -0.809 175.048 176.300 -0.739 0.000 1.186 392 M CA -0.066 55.084 55.300 -0.250 0.000 0.927 392 M CB 1.716 34.296 32.600 -0.033 0.000 1.715 392 M HN 0.804 nan 8.290 nan 0.000 0.478 393 G N 1.661 109.537 108.800 -1.540 0.000 2.488 393 G HA2 0.598 4.558 3.960 -0.000 0.000 0.301 393 G HA3 0.598 4.558 3.960 -0.000 0.000 0.301 393 G C -2.323 171.708 174.900 -1.447 0.000 1.339 393 G CA -0.599 43.347 45.100 -1.924 0.000 0.803 393 G HN 0.650 nan 8.290 nan 0.000 0.482 394 V N -0.375 119.011 119.914 -0.880 0.000 2.495 394 V HA 0.617 4.737 4.120 -0.000 0.000 0.298 394 V C -0.589 175.548 176.094 0.073 0.000 1.031 394 V CA -0.639 61.404 62.300 -0.428 0.000 0.871 394 V CB 1.305 32.821 31.823 -0.512 0.000 0.988 394 V HN 1.015 nan 8.190 nan 0.000 0.432 395 C N 6.528 126.004 119.300 0.293 0.000 2.432 395 C HA 0.686 5.146 4.460 -0.000 0.000 0.334 395 C C 0.609 175.917 174.990 0.530 0.000 1.155 395 C CA -0.784 58.502 59.018 0.447 0.000 1.335 395 C CB 0.106 28.163 27.740 0.529 0.000 1.964 395 C HN 1.049 nan 8.230 nan 0.000 0.444 396 R N 4.571 125.275 120.500 0.340 0.000 3.251 396 R HA -0.211 4.129 4.340 -0.000 0.000 0.249 396 R C 0.466 176.898 176.300 0.220 0.000 0.949 396 R CA 1.531 57.758 56.100 0.212 0.000 0.645 396 R CB -2.075 28.223 30.300 -0.003 0.000 1.065 396 R HN 1.104 nan 8.270 nan 0.000 0.452 397 N N -1.854 116.958 118.700 0.188 0.000 2.800 397 N HA -0.239 4.501 4.740 -0.000 0.000 0.250 397 N C -0.817 174.655 175.510 -0.063 0.000 1.078 397 N CA 1.720 54.823 53.050 0.089 0.000 0.804 397 N CB -0.503 38.079 38.487 0.159 0.000 1.135 397 N HN 0.638 nan 8.380 nan 0.000 0.565 398 R N 0.158 120.656 120.500 -0.004 0.000 2.637 398 R HA 0.546 4.885 4.340 -0.000 0.000 0.291 398 R C -0.639 175.479 176.300 -0.303 0.000 0.963 398 R CA -1.072 54.904 56.100 -0.207 0.000 0.901 398 R CB 1.670 31.767 30.300 -0.339 0.000 1.160 398 R HN 0.019 nan 8.270 nan 0.000 0.457 399 L N 2.411 123.404 121.223 -0.383 0.000 2.380 399 L HA 0.361 4.701 4.340 -0.000 0.000 0.273 399 L C -1.262 175.369 176.870 -0.399 0.000 1.138 399 L CA 0.522 55.137 54.840 -0.375 0.000 0.832 399 L CB 0.249 42.212 42.059 -0.161 0.000 1.124 399 L HN 0.409 nan 8.230 nan 0.000 0.454 400 F N 3.923 123.670 119.950 -0.338 0.000 2.520 400 F HA 0.777 5.304 4.527 -0.000 0.000 0.322 400 F C 0.087 175.720 175.800 -0.278 0.000 1.103 400 F CA -0.374 57.477 58.000 -0.247 0.000 0.926 400 F CB 2.036 40.788 39.000 -0.415 0.000 1.154 400 F HN 0.580 nan 8.300 nan 0.000 0.453 401 A N 3.350 126.207 122.820 0.062 0.000 2.455 401 A HA 0.714 5.034 4.320 -0.000 0.000 0.300 401 A C -1.434 176.108 177.584 -0.070 0.000 1.040 401 A CA -0.707 51.297 52.037 -0.055 0.000 0.697 401 A CB 1.459 20.378 19.000 -0.135 0.000 1.265 401 A HN 0.718 nan 8.150 nan 0.000 0.407 402 M N 4.056 123.620 119.600 -0.059 0.000 2.151 402 M HA 0.396 4.876 4.480 -0.000 0.000 0.349 402 M C -1.168 175.000 176.300 -0.221 0.000 1.284 402 M CA -0.514 54.745 55.300 -0.069 0.000 1.173 402 M CB -0.332 32.304 32.600 0.061 0.000 1.469 402 M HN 0.469 nan 8.290 nan 0.000 0.439 403 I N 5.011 125.306 120.570 -0.457 0.000 2.301 403 I HA 0.213 4.383 4.170 -0.000 0.000 0.292 403 I C 0.172 176.097 176.117 -0.320 0.000 1.046 403 I CA -0.003 60.881 61.300 -0.693 0.000 1.282 403 I CB 0.001 36.949 38.000 -1.753 0.000 1.409 403 I HN 0.679 nan 8.210 nan 0.000 0.484 404 E N 4.053 124.180 120.200 -0.122 0.000 2.248 404 E HA 0.416 4.766 4.350 -0.000 0.000 0.272 404 E C -0.397 176.266 176.600 0.104 0.000 1.008 404 E CA -0.578 55.833 56.400 0.018 0.000 0.856 404 E CB 1.335 31.075 29.700 0.067 0.000 1.120 404 E HN 0.404 nan 8.360 nan 0.000 0.397 405 T N 2.809 117.414 114.554 0.085 0.000 2.767 405 T HA 0.430 4.780 4.350 -0.000 0.000 0.284 405 T C -0.347 174.300 174.700 -0.089 0.000 0.973 405 T CA -0.716 61.391 62.100 0.012 0.000 0.996 405 T CB 0.508 69.377 68.868 0.001 0.000 0.927 405 T HN 0.307 nan 8.240 nan 0.000 0.456 406 R N 1.061 121.468 120.500 -0.156 0.000 2.744 406 R HA 0.598 4.938 4.340 -0.000 0.000 0.279 406 R C -0.085 176.089 176.300 -0.209 0.000 0.977 406 R CA -1.116 54.870 56.100 -0.188 0.000 0.906 406 R CB 1.111 31.259 30.300 -0.252 0.000 1.197 406 R HN 0.684 nan 8.270 nan 0.000 0.463 407 T N -0.460 113.983 114.554 -0.185 0.000 2.930 407 T HA 0.095 4.445 4.350 -0.000 0.000 0.306 407 T C 1.228 175.821 174.700 -0.178 0.000 1.045 407 T CA -0.538 61.453 62.100 -0.181 0.000 1.134 407 T CB 0.623 69.405 68.868 -0.143 0.000 0.961 407 T HN 0.403 nan 8.240 nan 0.000 0.545 408 L N 2.974 124.082 121.223 -0.192 0.000 2.083 408 L HA 0.068 4.408 4.340 -0.000 0.000 0.209 408 L C 2.940 179.730 176.870 -0.134 0.000 1.083 408 L CA 2.144 56.880 54.840 -0.174 0.000 0.752 408 L CB -1.190 40.733 42.059 -0.226 0.000 0.899 408 L HN 0.990 nan 8.230 nan 0.000 0.433 409 A N -0.893 121.851 122.820 -0.126 0.000 1.883 409 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 409 A C 2.164 179.702 177.584 -0.077 0.000 1.186 409 A CA 2.057 54.038 52.037 -0.093 0.000 0.624 409 A CB -0.213 18.737 19.000 -0.084 0.000 0.822 409 A HN 0.411 nan 8.150 nan 0.000 0.444 410 K N -2.715 117.633 120.400 -0.086 0.000 2.517 410 K HA 0.119 4.439 4.320 -0.000 0.000 0.210 410 K C 0.088 176.634 176.600 -0.091 0.000 1.166 410 K CA 0.213 56.457 56.287 -0.072 0.000 1.030 410 K CB 0.731 33.196 32.500 -0.059 0.000 0.974 410 K HN 0.315 nan 8.250 nan 0.000 0.585 411 N N 1.251 119.876 118.700 -0.126 0.000 2.725 411 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 411 N C -1.035 174.376 175.510 -0.167 0.000 1.103 411 N CA 0.828 53.774 53.050 -0.173 0.000 0.707 411 N CB -1.041 37.338 38.487 -0.180 0.000 1.043 411 N HN 0.347 nan 8.380 nan 0.000 0.553 412 A N 0.252 122.993 122.820 -0.131 0.000 2.363 412 A HA 0.496 4.816 4.320 -0.000 0.000 0.270 412 A C 0.466 177.981 177.584 -0.115 0.000 1.121 412 A CA -0.506 51.468 52.037 -0.106 0.000 0.800 412 A CB 0.547 19.500 19.000 -0.079 0.000 1.052 412 A HN 0.437 nan 8.150 nan 0.000 0.493 413 L N 2.650 123.815 121.223 -0.097 0.000 2.416 413 L HA 0.370 4.710 4.340 -0.000 0.000 0.272 413 L C 0.966 177.802 176.870 -0.057 0.000 1.161 413 L CA 1.371 56.163 54.840 -0.080 0.000 0.845 413 L CB 0.850 42.878 42.059 -0.051 0.000 1.119 413 L HN 0.728 nan 8.230 nan 0.000 0.464 414 T N 3.821 118.344 114.554 -0.052 0.000 2.980 414 T HA 0.252 4.602 4.350 -0.000 0.000 0.252 414 T C 0.019 174.714 174.700 -0.008 0.000 0.962 414 T CA -0.011 62.064 62.100 -0.041 0.000 0.932 414 T CB -0.092 68.730 68.868 -0.076 0.000 1.188 414 T HN 0.716 nan 8.240 nan 0.000 0.500 415 N N -0.027 118.679 118.700 0.010 0.000 2.516 415 N HA 0.262 5.001 4.740 -0.000 0.000 0.268 415 N C -1.924 173.615 175.510 0.048 0.000 1.096 415 N CA -0.353 52.723 53.050 0.043 0.000 0.954 415 N CB 1.613 40.150 38.487 0.084 0.000 1.676 415 N HN 0.099 nan 8.380 nan 0.000 0.490 416 C N 2.006 121.333 119.300 0.044 0.000 2.379 416 C HA 0.929 5.388 4.460 -0.000 0.000 0.323 416 C C 0.207 175.236 174.990 0.064 0.000 1.262 416 C CA -0.366 58.674 59.018 0.037 0.000 1.581 416 C CB 0.185 27.930 27.740 0.009 0.000 2.221 416 C HN 0.707 nan 8.230 nan 0.000 0.497 417 A N 2.559 125.417 122.820 0.062 0.000 2.414 417 A HA 0.781 5.101 4.320 -0.000 0.000 0.306 417 A C -1.249 176.413 177.584 0.130 0.000 1.054 417 A CA -0.460 51.666 52.037 0.147 0.000 0.724 417 A CB 0.947 20.130 19.000 0.305 0.000 1.267 417 A HN 0.867 nan 8.150 nan 0.000 0.418 418 L N 2.426 123.772 121.223 0.204 0.000 2.260 418 L HA 0.661 5.001 4.340 -0.000 0.000 0.289 418 L C -1.450 175.639 176.870 0.364 0.000 1.057 418 L CA -0.099 54.867 54.840 0.210 0.000 0.811 418 L CB 0.034 42.197 42.059 0.175 0.000 1.184 418 L HN 0.636 nan 8.230 nan 0.000 0.429 419 W N 3.894 125.142 121.300 -0.086 0.000 2.520 419 W HA 0.526 5.186 4.660 -0.000 0.000 0.323 419 W C -0.458 176.072 176.519 0.017 0.000 1.062 419 W CA -1.166 56.108 57.345 -0.119 0.000 1.215 419 W CB 1.266 30.399 29.460 -0.544 0.000 1.340 419 W HN 0.671 nan 8.180 nan 0.000 0.516 420 D N 0.564 121.107 120.400 0.239 0.000 2.581 420 D HA 0.809 5.448 4.640 -0.000 0.000 0.232 420 D C -1.038 175.197 176.300 -0.108 0.000 1.143 420 D CA -1.072 52.846 54.000 -0.137 0.000 0.881 420 D CB 2.137 42.327 40.800 -1.018 0.000 1.500 420 D HN 0.294 nan 8.370 nan 0.000 0.458 421 R N -0.079 120.206 120.500 -0.359 0.000 2.629 421 R HA 0.444 4.784 4.340 -0.000 0.000 0.266 421 R C -2.892 173.176 176.300 -0.385 0.000 1.051 421 R CA -2.008 53.783 56.100 -0.514 0.000 0.895 421 R CB 2.305 31.941 30.300 -1.107 0.000 1.246 421 R HN 0.402 nan 8.270 nan 0.000 0.459 422 P HA 0.137 nan 4.420 nan 0.000 0.275 422 P C -0.645 176.604 177.300 -0.084 0.000 1.228 422 P CA -0.207 62.764 63.100 -0.215 0.000 0.786 422 P CB 0.707 32.292 31.700 -0.192 0.000 0.927 423 M N 1.050 120.579 119.600 -0.117 0.000 2.274 423 M HA 0.171 4.651 4.480 -0.000 0.000 0.344 423 M C 0.583 176.910 176.300 0.045 0.000 1.161 423 M CA -0.022 55.209 55.300 -0.115 0.000 1.126 423 M CB 0.198 32.453 32.600 -0.576 0.000 1.522 423 M HN 0.265 nan 8.290 nan 0.000 0.461 424 S N 3.663 119.431 115.700 0.114 0.000 2.533 424 S HA 0.406 4.875 4.470 -0.000 0.000 0.282 424 S C -0.013 174.692 174.600 0.176 0.000 1.304 424 S CA -0.390 57.895 58.200 0.141 0.000 1.063 424 S CB 0.250 63.546 63.200 0.160 0.000 0.881 424 S HN 0.538 nan 8.310 nan 0.000 0.493 425 R N 1.316 121.890 120.500 0.123 0.000 2.739 425 R HA 0.624 4.964 4.340 -0.000 0.000 0.271 425 R C -1.421 174.883 176.300 0.007 0.000 1.010 425 R CA -0.786 55.364 56.100 0.084 0.000 0.897 425 R CB 1.396 31.753 30.300 0.096 0.000 1.236 425 R HN 0.420 nan 8.270 nan 0.000 0.466 426 S N 1.524 117.191 115.700 -0.054 0.000 2.449 426 S HA 0.521 4.991 4.470 -0.000 0.000 0.310 426 S C -0.668 173.722 174.600 -0.351 0.000 1.096 426 S CA -0.811 57.286 58.200 -0.172 0.000 1.095 426 S CB 0.665 63.786 63.200 -0.133 0.000 1.007 426 S HN 0.289 nan 8.310 nan 0.000 0.474 427 L N 4.476 125.456 121.223 -0.405 0.000 2.322 427 L HA 0.539 4.879 4.340 -0.000 0.000 0.281 427 L C -0.441 176.055 176.870 -0.624 0.000 1.014 427 L CA -0.833 53.739 54.840 -0.446 0.000 0.815 427 L CB 1.021 42.916 42.059 -0.273 0.000 1.247 427 L HN 0.593 nan 8.230 nan 0.000 0.421 428 H N 5.132 124.133 119.070 -0.115 0.000 2.673 428 H HA 0.523 5.079 4.556 -0.000 0.000 0.293 428 H C -0.547 174.608 175.328 -0.288 0.000 1.065 428 H CA -0.362 55.599 56.048 -0.145 0.000 1.236 428 H CB 1.277 31.056 29.762 0.029 0.000 1.389 428 H HN 0.411 nan 8.280 nan 0.000 0.481 429 L N 1.453 122.372 121.223 -0.507 0.000 2.271 429 L HA 0.582 4.922 4.340 -0.000 0.000 0.265 429 L C 0.248 176.922 176.870 -0.328 0.000 1.013 429 L CA -0.830 53.721 54.840 -0.483 0.000 0.820 429 L CB 1.917 43.530 42.059 -0.743 0.000 1.352 429 L HN 0.350 nan 8.230 nan 0.000 0.443 430 T N 0.597 115.135 114.554 -0.027 0.000 2.965 430 T HA 0.602 4.952 4.350 -0.000 0.000 0.306 430 T C 0.039 174.901 174.700 0.269 0.000 0.991 430 T CA -0.058 62.130 62.100 0.147 0.000 1.001 430 T CB 1.328 70.243 68.868 0.078 0.000 0.984 430 T HN 1.105 nan 8.240 nan 0.000 0.446 431 G N 1.884 110.925 108.800 0.402 0.000 2.752 431 G HA2 0.241 4.201 3.960 -0.000 0.000 0.234 431 G HA3 0.241 4.201 3.960 -0.000 0.000 0.234 431 G C 0.739 175.874 174.900 0.392 0.000 1.367 431 G CA 0.411 45.677 45.100 0.276 0.000 0.879 431 G HN 1.971 nan 8.290 nan 0.000 0.563 432 G N -2.185 106.726 108.800 0.186 0.000 2.238 432 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.217 432 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.217 432 G C 0.426 175.357 174.900 0.052 0.000 0.996 432 G CA 0.573 45.793 45.100 0.200 0.000 0.632 432 G HN 1.552 nan 8.290 nan 0.000 0.503 433 I N 2.675 123.174 120.570 -0.119 0.000 2.331 433 I HA 0.540 4.710 4.170 -0.000 0.000 0.292 433 I C 0.587 176.587 176.117 -0.195 0.000 0.998 433 I CA 0.001 61.142 61.300 -0.266 0.000 1.267 433 I CB 1.693 39.359 38.000 -0.558 0.000 1.386 433 I HN 0.270 nan 8.210 nan 0.000 0.476 434 T N 2.887 117.345 114.554 -0.160 0.000 2.893 434 T HA 0.507 4.857 4.350 -0.000 0.000 0.291 434 T C -0.750 173.880 174.700 -0.117 0.000 1.028 434 T CA -0.942 61.086 62.100 -0.121 0.000 0.995 434 T CB 2.285 71.108 68.868 -0.076 0.000 1.051 434 T HN 0.608 nan 8.240 nan 0.000 0.470 435 K N 2.017 122.357 120.400 -0.100 0.000 2.640 435 K HA 0.633 4.953 4.320 -0.000 0.000 0.245 435 K C -0.148 176.421 176.600 -0.052 0.000 0.962 435 K CA -0.717 55.523 56.287 -0.079 0.000 0.896 435 K CB 1.373 33.810 32.500 -0.105 0.000 1.147 435 K HN 0.966 nan 8.250 nan 0.000 0.445 436 A N 2.612 125.415 122.820 -0.029 0.000 2.425 436 A HA 0.514 4.834 4.320 -0.000 0.000 0.242 436 A C 0.091 177.665 177.584 -0.018 0.000 1.077 436 A CA -0.050 51.976 52.037 -0.019 0.000 0.781 436 A CB 0.396 19.393 19.000 -0.005 0.000 1.020 436 A HN 0.818 nan 8.150 nan 0.000 0.494 437 A N 1.847 124.656 122.820 -0.018 0.000 2.407 437 A HA 0.480 4.800 4.320 -0.000 0.000 0.248 437 A C 0.733 178.311 177.584 -0.010 0.000 1.082 437 A CA 0.050 52.076 52.037 -0.019 0.000 0.785 437 A CB -0.236 18.753 19.000 -0.019 0.000 1.020 437 A HN 1.351 nan 8.150 nan 0.000 0.489 438 N N -0.837 117.855 118.700 -0.014 0.000 2.776 438 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 438 N C -0.392 175.118 175.510 0.001 0.000 1.111 438 N CA 1.632 54.677 53.050 -0.009 0.000 0.711 438 N CB -1.733 36.750 38.487 -0.006 0.000 1.065 438 N HN 1.063 nan 8.380 nan 0.000 0.556 439 Q N -2.344 117.456 119.800 -0.000 0.000 2.633 439 Q HA 0.526 4.866 4.340 -0.000 0.000 0.289 439 Q C -0.187 175.799 176.000 -0.022 0.000 0.940 439 Q CA -0.871 54.942 55.803 0.017 0.000 0.785 439 Q CB 0.652 29.436 28.738 0.078 0.000 1.467 439 Q HN 0.035 nan 8.270 nan 0.000 0.401 440 R N -0.232 120.214 120.500 -0.090 0.000 2.362 440 R HA 0.267 4.607 4.340 -0.000 0.000 0.227 440 R C -0.355 175.782 176.300 -0.272 0.000 0.905 440 R CA 0.010 55.981 56.100 -0.214 0.000 1.067 440 R CB 0.280 30.399 30.300 -0.302 0.000 1.078 440 R HN 0.489 nan 8.270 nan 0.000 0.516 441 Y N 0.895 121.167 120.300 -0.046 0.000 2.309 441 Y HA 0.378 4.927 4.550 -0.000 0.000 0.327 441 Y C 0.590 176.439 175.900 -0.084 0.000 1.172 441 Y CA -0.717 57.353 58.100 -0.051 0.000 1.280 441 Y CB 1.030 39.473 38.460 -0.028 0.000 1.234 441 Y HN -0.015 nan 8.280 nan 0.000 0.512 442 A N 1.509 124.349 122.820 0.034 0.000 2.365 442 A HA 0.642 4.962 4.320 -0.000 0.000 0.318 442 A C -0.381 177.150 177.584 -0.088 0.000 1.091 442 A CA -0.669 51.319 52.037 -0.082 0.000 0.763 442 A CB 0.922 19.797 19.000 -0.207 0.000 1.248 442 A HN 0.674 nan 8.150 nan 0.000 0.442 443 T N 0.920 115.404 114.554 -0.117 0.000 2.824 443 T HA 0.628 4.978 4.350 -0.000 0.000 0.280 443 T C -0.383 174.177 174.700 -0.234 0.000 0.995 443 T CA -0.577 61.434 62.100 -0.149 0.000 1.009 443 T CB 0.277 69.103 68.868 -0.070 0.000 0.955 443 T HN 0.430 nan 8.240 nan 0.000 0.452 444 I N 4.792 125.110 120.570 -0.420 0.000 2.339 444 I HA 0.269 4.438 4.170 -0.000 0.000 0.290 444 I C 0.389 176.360 176.117 -0.245 0.000 0.994 444 I CA -0.783 60.258 61.300 -0.430 0.000 1.191 444 I CB 0.945 38.436 38.000 -0.849 0.000 1.343 444 I HN 0.845 nan 8.210 nan 0.000 0.458 445 H N 6.911 125.950 119.070 -0.053 0.000 2.761 445 H HA 0.473 5.029 4.556 -0.000 0.000 0.284 445 H C -1.594 173.825 175.328 0.151 0.000 1.105 445 H CA -0.250 55.831 56.048 0.056 0.000 1.352 445 H CB 1.088 30.891 29.762 0.068 0.000 1.423 445 H HN 0.364 nan 8.280 nan 0.000 0.464 446 V N 8.530 128.370 119.914 -0.123 0.000 2.419 446 V HA 0.198 4.318 4.120 -0.000 0.000 0.287 446 V C -2.293 173.775 176.094 -0.044 0.000 1.017 446 V CA -1.797 60.508 62.300 0.009 0.000 0.844 446 V CB 1.457 33.445 31.823 0.275 0.000 1.011 446 V HN 0.744 nan 8.190 nan 0.000 0.429 447 P HA 0.070 nan 4.420 nan 0.000 0.261 447 P C 0.028 177.300 177.300 -0.046 0.000 1.183 447 P CA 0.598 63.630 63.100 -0.114 0.000 0.761 447 P CB 0.150 31.826 31.700 -0.039 0.000 0.785 448 D N 1.376 121.710 120.400 -0.111 0.000 2.686 448 D HA -0.209 4.431 4.640 -0.000 0.000 0.235 448 D C 1.275 177.479 176.300 -0.159 0.000 1.160 448 D CA 0.800 54.688 54.000 -0.188 0.000 0.645 448 D CB -1.231 39.506 40.800 -0.106 0.000 1.039 448 D HN 0.707 nan 8.370 nan 0.000 0.423 449 H N -0.817 118.245 119.070 -0.012 0.000 2.421 449 H HA 0.012 4.568 4.556 -0.000 0.000 0.298 449 H C 1.769 177.068 175.328 -0.049 0.000 1.087 449 H CA 1.314 57.370 56.048 0.013 0.000 1.330 449 H CB -0.192 29.637 29.762 0.112 0.000 1.388 449 H HN 0.396 nan 8.280 nan 0.000 0.526 450 G N 1.331 109.967 108.800 -0.273 0.000 2.225 450 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 450 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 450 G C -0.002 174.832 174.900 -0.110 0.000 1.024 450 G CA 0.577 45.602 45.100 -0.124 0.000 0.784 450 G HN 0.406 nan 8.290 nan 0.000 0.507 451 L N -0.996 120.320 121.223 0.155 0.000 2.360 451 L HA 0.842 5.182 4.340 -0.000 0.000 0.271 451 L C 0.337 177.162 176.870 -0.075 0.000 1.057 451 L CA -1.221 53.541 54.840 -0.129 0.000 0.803 451 L CB 0.901 42.773 42.059 -0.312 0.000 1.207 451 L HN -0.037 nan 8.230 nan 0.000 0.445 452 F N -0.398 119.563 119.950 0.019 0.000 2.618 452 F HA 0.447 4.973 4.527 -0.000 0.000 0.332 452 F C 0.172 175.957 175.800 -0.025 0.000 1.061 452 F CA -1.374 56.644 58.000 0.030 0.000 0.974 452 F CB 1.203 40.219 39.000 0.026 0.000 1.310 452 F HN -0.071 nan 8.300 nan 0.000 0.491 453 V N 1.710 121.761 119.914 0.228 0.000 2.644 453 V HA 0.285 4.405 4.120 -0.000 0.000 0.305 453 V C 0.985 177.131 176.094 0.087 0.000 1.053 453 V CA 1.604 63.974 62.300 0.116 0.000 1.186 453 V CB -0.116 31.758 31.823 0.086 0.000 0.895 453 V HN 1.081 nan 8.190 nan 0.000 0.490 454 G N 3.548 112.382 108.800 0.055 0.000 2.176 454 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.253 454 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.253 454 G C -0.058 174.856 174.900 0.024 0.000 0.979 454 G CA 0.087 45.210 45.100 0.039 0.000 0.641 454 G HN 0.687 nan 8.290 nan 0.000 0.530 455 D N -0.307 120.093 120.400 0.000 0.000 2.339 455 D HA 0.472 5.112 4.640 -0.000 0.000 0.245 455 D C 0.384 176.686 176.300 0.004 0.000 1.115 455 D CA -0.428 53.558 54.000 -0.024 0.000 0.917 455 D CB 0.565 41.310 40.800 -0.091 0.000 1.192 455 D HN 0.126 nan 8.370 nan 0.000 0.428 456 F N 1.895 121.783 119.950 -0.104 0.000 2.495 456 F HA 0.276 4.803 4.527 -0.000 0.000 0.365 456 F C -0.085 175.659 175.800 -0.093 0.000 1.090 456 F CA -0.201 57.756 58.000 -0.072 0.000 1.235 456 F CB 0.461 39.423 39.000 -0.063 0.000 1.119 456 F HN 0.040 nan 8.300 nan 0.000 0.562 457 V N 4.494 124.045 119.914 -0.606 0.000 2.686 457 V HA 0.463 4.583 4.120 -0.000 0.000 0.306 457 V C -1.162 174.457 176.094 -0.792 0.000 1.065 457 V CA -1.000 60.994 62.300 -0.510 0.000 0.894 457 V CB 1.441 33.118 31.823 -0.244 0.000 1.004 457 V HN 0.871 nan 8.190 nan 0.000 0.424 458 N N 2.968 121.310 118.700 -0.597 0.000 2.314 458 N HA 0.619 5.359 4.740 -0.000 0.000 0.304 458 N C -2.000 173.267 175.510 -0.404 0.000 1.073 458 N CA -0.390 52.444 53.050 -0.360 0.000 0.822 458 N CB 2.325 40.808 38.487 -0.006 0.000 1.280 458 N HN 0.615 nan 8.380 nan 0.000 0.489 459 F N 0.482 120.503 119.950 0.118 0.000 2.520 459 F HA 0.434 4.961 4.527 -0.000 0.000 0.322 459 F C 0.461 176.387 175.800 0.212 0.000 1.103 459 F CA -0.538 57.592 58.000 0.218 0.000 0.926 459 F CB 2.235 41.315 39.000 0.132 0.000 1.154 459 F HN 0.241 nan 8.300 nan 0.000 0.453 460 S N 2.071 118.065 115.700 0.489 0.000 2.536 460 S HA 0.341 4.811 4.470 -0.000 0.000 0.287 460 S C -0.285 174.570 174.600 0.425 0.000 1.101 460 S CA -0.914 57.520 58.200 0.390 0.000 0.950 460 S CB 1.096 64.529 63.200 0.387 0.000 1.056 460 S HN 0.765 nan 8.310 nan 0.000 0.481 461 N N 0.990 119.861 118.700 0.286 0.000 2.693 461 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 461 N C 1.194 176.826 175.510 0.205 0.000 1.119 461 N CA 1.062 54.251 53.050 0.231 0.000 0.717 461 N CB -1.607 37.039 38.487 0.264 0.000 1.071 461 N HN 0.739 nan 8.380 nan 0.000 0.555 462 S N -0.214 115.560 115.700 0.123 0.000 2.399 462 S HA 0.075 4.545 4.470 -0.000 0.000 0.231 462 S C 1.503 175.972 174.600 -0.219 0.000 1.022 462 S CA 1.845 59.944 58.200 -0.168 0.000 0.983 462 S CB -0.156 62.848 63.200 -0.326 0.000 0.803 462 S HN 1.422 nan 8.310 nan 0.000 0.480 463 A N -0.905 121.853 122.820 -0.104 0.000 2.899 463 A HA -0.101 4.219 4.320 -0.000 0.000 0.257 463 A C 0.299 177.798 177.584 -0.142 0.000 1.335 463 A CA 0.834 52.815 52.037 -0.092 0.000 0.924 463 A CB -2.357 16.607 19.000 -0.060 0.000 1.105 463 A HN 1.005 nan 8.150 nan 0.000 0.765 464 V N 1.743 121.537 119.914 -0.201 0.000 2.376 464 V HA 0.419 4.538 4.120 -0.000 0.000 0.287 464 V C 0.746 176.730 176.094 -0.184 0.000 1.015 464 V CA 0.064 62.238 62.300 -0.209 0.000 0.834 464 V CB 1.563 33.211 31.823 -0.292 0.000 1.001 464 V HN 0.523 nan 8.190 nan 0.000 0.428 465 T N 4.027 118.501 114.554 -0.133 0.000 2.891 465 T HA 0.332 4.682 4.350 -0.000 0.000 0.296 465 T C 1.389 176.009 174.700 -0.133 0.000 1.025 465 T CA 1.177 63.211 62.100 -0.110 0.000 1.149 465 T CB 0.485 69.303 68.868 -0.084 0.000 1.007 465 T HN 1.441 nan 8.240 nan 0.000 0.528 466 G N 1.998 110.727 108.800 -0.118 0.000 2.299 466 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.237 466 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.237 466 G C 0.285 175.081 174.900 -0.174 0.000 1.027 466 G CA -0.091 44.933 45.100 -0.128 0.000 0.619 466 G HN 0.813 nan 8.290 nan 0.000 0.513 467 V N 1.846 121.605 119.914 -0.259 0.000 2.299 467 V HA 0.677 4.797 4.120 -0.000 0.000 0.255 467 V C 0.351 176.284 176.094 -0.269 0.000 1.100 467 V CA 0.697 62.730 62.300 -0.446 0.000 0.938 467 V CB 0.764 32.166 31.823 -0.701 0.000 1.139 467 V HN 0.749 nan 8.190 nan 0.000 0.490 468 S N 3.350 119.010 115.700 -0.067 0.000 2.548 468 S HA 0.698 5.168 4.470 -0.000 0.000 0.278 468 S C 0.002 174.694 174.600 0.152 0.000 1.150 468 S CA 0.543 58.795 58.200 0.086 0.000 0.907 468 S CB 1.370 64.585 63.200 0.024 0.000 1.108 468 S HN 1.723 nan 8.310 nan 0.000 0.459 469 G N 3.947 112.863 108.800 0.193 0.000 2.562 469 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.250 469 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.250 469 G C -1.200 173.763 174.900 0.105 0.000 1.269 469 G CA 0.137 45.320 45.100 0.139 0.000 0.919 469 G HN 0.790 nan 8.290 nan 0.000 0.574 470 D N 1.559 121.990 120.400 0.052 0.000 2.371 470 D HA 0.578 5.218 4.640 -0.000 0.000 0.256 470 D C 0.934 177.165 176.300 -0.114 0.000 1.193 470 D CA 0.790 54.736 54.000 -0.091 0.000 0.881 470 D CB 0.637 41.494 40.800 0.095 0.000 1.143 470 D HN 0.524 nan 8.370 nan 0.000 0.473 471 M N 0.448 119.890 119.600 -0.262 0.000 2.779 471 M HA 0.402 4.882 4.480 -0.000 0.000 0.277 471 M C -0.084 176.109 176.300 -0.178 0.000 1.284 471 M CA -0.925 54.322 55.300 -0.088 0.000 0.801 471 M CB 2.389 35.065 32.600 0.127 0.000 1.712 471 M HN 0.231 nan 8.290 nan 0.000 0.453 472 T N -1.481 113.057 114.554 -0.028 0.000 2.908 472 T HA 0.670 5.020 4.350 -0.000 0.000 0.290 472 T C -0.467 174.273 174.700 0.067 0.000 1.034 472 T CA -0.856 61.237 62.100 -0.011 0.000 1.010 472 T CB 1.395 70.276 68.868 0.022 0.000 1.068 472 T HN 0.383 nan 8.240 nan 0.000 0.481 473 V N 2.603 122.530 119.914 0.022 0.000 2.485 473 V HA 0.402 4.522 4.120 -0.000 0.000 0.287 473 V C 1.473 177.640 176.094 0.122 0.000 1.022 473 V CA 0.510 62.846 62.300 0.060 0.000 1.067 473 V CB -0.014 31.699 31.823 -0.183 0.000 0.967 473 V HN 1.208 nan 8.190 nan 0.000 0.479 474 A N 4.527 127.469 122.820 0.203 0.000 1.924 474 A HA 0.282 4.601 4.320 -0.000 0.000 0.211 474 A C 1.106 178.786 177.584 0.160 0.000 1.198 474 A CA 1.131 53.288 52.037 0.200 0.000 0.657 474 A CB 0.142 19.331 19.000 0.315 0.000 0.852 474 A HN 0.884 nan 8.150 nan 0.000 0.454 475 T N -3.243 111.409 114.554 0.163 0.000 2.864 475 T HA 0.534 4.883 4.350 -0.000 0.000 0.299 475 T C -0.958 173.850 174.700 0.181 0.000 1.166 475 T CA -0.035 62.134 62.100 0.115 0.000 1.007 475 T CB 1.263 70.141 68.868 0.017 0.000 1.219 475 T HN 1.159 nan 8.240 nan 0.000 0.506 476 V N 1.326 121.349 119.914 0.181 0.000 2.409 476 V HA 0.604 4.723 4.120 -0.000 0.000 0.291 476 V C 0.633 176.849 176.094 0.202 0.000 1.020 476 V CA -0.705 61.750 62.300 0.258 0.000 0.848 476 V CB 0.543 32.575 31.823 0.348 0.000 0.990 476 V HN 0.991 nan 8.190 nan 0.000 0.430 477 I N 3.451 124.141 120.570 0.201 0.000 2.235 477 I HA 0.130 4.300 4.170 -0.000 0.000 0.241 477 I C 0.830 177.036 176.117 0.148 0.000 1.085 477 I CA 1.566 62.948 61.300 0.137 0.000 1.378 477 I CB 0.082 38.147 38.000 0.110 0.000 1.076 477 I HN 1.002 nan 8.210 nan 0.000 0.415 478 D N -1.405 119.115 120.400 0.200 0.000 2.838 478 D HA 0.051 4.691 4.640 -0.000 0.000 0.334 478 D C 0.310 176.718 176.300 0.181 0.000 1.315 478 D CA -0.723 53.374 54.000 0.162 0.000 0.917 478 D CB 0.264 41.131 40.800 0.112 0.000 1.435 478 D HN -0.002 nan 8.370 nan 0.000 0.517 479 K N -0.927 119.503 120.400 0.050 0.000 2.360 479 K HA -0.084 4.235 4.320 -0.000 0.000 0.201 479 K C -0.117 176.372 176.600 -0.184 0.000 1.046 479 K CA 1.428 57.632 56.287 -0.137 0.000 0.945 479 K CB -0.207 32.197 32.500 -0.159 0.000 0.750 479 K HN 0.217 nan 8.250 nan 0.000 0.464 480 D N -0.138 120.296 120.400 0.057 0.000 2.441 480 D HA 0.093 4.733 4.640 -0.000 0.000 0.210 480 D C -0.608 175.810 176.300 0.197 0.000 1.102 480 D CA 0.087 54.131 54.000 0.073 0.000 0.840 480 D CB 0.298 41.100 40.800 0.003 0.000 0.990 480 D HN 0.281 nan 8.370 nan 0.000 0.505 481 N N -0.044 118.865 118.700 0.348 0.000 2.264 481 N HA 0.536 5.276 4.740 -0.000 0.000 0.288 481 N C -1.029 174.656 175.510 0.291 0.000 1.094 481 N CA -0.839 52.346 53.050 0.226 0.000 0.817 481 N CB 2.175 40.759 38.487 0.161 0.000 1.604 481 N HN -0.076 nan 8.380 nan 0.000 0.473 482 F N -1.939 118.014 119.950 0.005 0.000 2.715 482 F HA 0.838 5.365 4.527 0.000 0.000 0.318 482 F C -0.957 174.853 175.800 0.017 0.000 1.141 482 F CA -0.973 57.010 58.000 -0.028 0.000 0.950 482 F CB 1.219 40.097 39.000 -0.203 0.000 1.374 482 F HN 0.366 nan 8.300 nan 0.000 0.477 483 T N 0.155 114.866 114.554 0.261 0.000 2.908 483 T HA 0.742 5.092 4.350 -0.000 0.000 0.290 483 T C -0.806 174.083 174.700 0.316 0.000 1.034 483 T CA -0.530 61.665 62.100 0.158 0.000 1.010 483 T CB 1.452 70.406 68.868 0.143 0.000 1.068 483 T HN 1.442 nan 8.240 nan 0.000 0.481 484 V N 0.491 120.521 119.914 0.194 0.000 2.715 484 V HA 0.797 4.917 4.120 -0.000 0.000 0.310 484 V C -0.451 175.704 176.094 0.102 0.000 1.054 484 V CA -1.301 61.108 62.300 0.181 0.000 0.928 484 V CB 1.348 33.244 31.823 0.122 0.000 1.007 484 V HN 0.940 nan 8.190 nan 0.000 0.437 485 L N 5.165 126.414 121.223 0.044 0.000 2.282 485 L HA 0.578 4.918 4.340 -0.000 0.000 0.287 485 L C 0.809 177.565 176.870 -0.190 0.000 1.075 485 L CA 0.594 55.310 54.840 -0.206 0.000 0.839 485 L CB 0.513 42.425 42.059 -0.245 0.000 1.219 485 L HN 1.151 nan 8.230 nan 0.000 0.434 486 T N 2.466 116.893 114.554 -0.212 0.000 2.726 486 T HA 0.389 4.739 4.350 -0.000 0.000 0.294 486 T C -1.832 172.775 174.700 -0.156 0.000 1.013 486 T CA -0.851 61.151 62.100 -0.164 0.000 0.996 486 T CB 0.559 69.331 68.868 -0.160 0.000 1.016 486 T HN 0.566 nan 8.240 nan 0.000 0.529 487 P HA 0.239 nan 4.420 nan 0.000 0.267 487 P C -0.288 176.960 177.300 -0.087 0.000 1.289 487 P CA -0.188 62.857 63.100 -0.092 0.000 0.866 487 P CB 0.070 31.732 31.700 -0.063 0.000 1.309 488 N N -0.023 118.619 118.700 -0.096 0.000 2.329 488 N HA 0.233 4.973 4.740 -0.000 0.000 0.282 488 N C -1.253 174.206 175.510 -0.084 0.000 1.198 488 N CA -0.740 52.263 53.050 -0.079 0.000 0.790 488 N CB 1.872 40.320 38.487 -0.064 0.000 1.579 488 N HN -0.088 nan 8.380 nan 0.000 0.475 489 Q N 0.366 120.126 119.800 -0.067 0.000 2.345 489 Q HA 0.490 4.830 4.340 -0.000 0.000 0.268 489 Q C -1.252 174.719 176.000 -0.048 0.000 1.054 489 Q CA -0.679 55.089 55.803 -0.059 0.000 0.835 489 Q CB 2.434 31.142 28.738 -0.050 0.000 1.339 489 Q HN 0.608 nan 8.270 nan 0.000 0.447 490 Q N 0.218 119.991 119.800 -0.045 0.000 2.445 490 Q HA 0.357 4.697 4.340 -0.000 0.000 0.281 490 Q C -0.095 175.886 176.000 -0.031 0.000 1.101 490 Q CA -0.452 55.328 55.803 -0.039 0.000 0.833 490 Q CB 2.318 31.030 28.738 -0.044 0.000 1.416 490 Q HN 0.876 nan 8.270 nan 0.000 0.451 491 T N -2.940 111.598 114.554 -0.027 0.000 3.206 491 T HA 0.231 4.581 4.350 -0.000 0.000 0.253 491 T C 0.000 174.687 174.700 -0.022 0.000 1.042 491 T CA 0.017 62.104 62.100 -0.022 0.000 0.931 491 T CB -0.103 68.754 68.868 -0.018 0.000 1.029 491 T HN 0.418 nan 8.240 nan 0.000 0.564 492 S N -0.013 115.671 115.700 -0.027 0.000 2.540 492 S HA 0.507 4.977 4.470 -0.000 0.000 0.275 492 S C -1.546 173.034 174.600 -0.034 0.000 1.123 492 S CA -0.922 57.262 58.200 -0.027 0.000 0.907 492 S CB 1.562 64.746 63.200 -0.027 0.000 1.081 492 S HN 0.098 nan 8.310 nan 0.000 0.476 493 D N 2.228 122.609 120.400 -0.032 0.000 2.450 493 D HA 0.286 4.926 4.640 -0.000 0.000 0.247 493 D C -0.070 176.201 176.300 -0.048 0.000 1.162 493 D CA 0.488 54.465 54.000 -0.038 0.000 0.879 493 D CB 0.261 41.041 40.800 -0.033 0.000 1.163 493 D HN 0.510 nan 8.370 nan 0.000 0.472 494 L N 2.833 124.019 121.223 -0.062 0.000 2.360 494 L HA 0.417 4.757 4.340 -0.000 0.000 0.271 494 L C 0.601 177.420 176.870 -0.085 0.000 1.057 494 L CA -0.528 54.266 54.840 -0.077 0.000 0.803 494 L CB 0.809 42.809 42.059 -0.098 0.000 1.207 494 L HN 0.271 nan 8.230 nan 0.000 0.445 495 N N 1.253 119.901 118.700 -0.087 0.000 2.932 495 N HA -0.001 4.739 4.740 -0.000 0.000 0.242 495 N C -0.365 175.094 175.510 -0.084 0.000 1.351 495 N CA -0.426 52.573 53.050 -0.085 0.000 0.785 495 N CB 0.521 38.972 38.487 -0.059 0.000 1.501 495 N HN 0.615 nan 8.380 nan 0.000 0.584 496 N N 1.705 120.332 118.700 -0.122 0.000 2.617 496 N HA -0.023 4.717 4.740 -0.000 0.000 0.198 496 N C 0.230 175.719 175.510 -0.036 0.000 1.317 496 N CA 0.005 52.988 53.050 -0.112 0.000 0.892 496 N CB -0.359 37.987 38.487 -0.236 0.000 1.041 496 N HN 0.493 nan 8.380 nan 0.000 0.450 497 A N -0.506 122.304 122.820 -0.018 0.000 2.587 497 A HA 0.403 4.722 4.320 -0.000 0.000 0.233 497 A C 1.622 179.225 177.584 0.032 0.000 1.049 497 A CA 0.626 52.674 52.037 0.018 0.000 0.754 497 A CB -0.808 18.193 19.000 0.002 0.000 0.977 497 A HN 1.057 nan 8.150 nan 0.000 0.509 498 G N 0.450 109.283 108.800 0.055 0.000 2.205 498 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.261 498 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.261 498 G C 0.315 175.255 174.900 0.068 0.000 0.980 498 G CA 0.961 46.091 45.100 0.050 0.000 0.632 498 G HN 1.051 nan 8.290 nan 0.000 0.533 499 K N 1.475 121.932 120.400 0.096 0.000 2.159 499 K HA 0.535 4.854 4.320 -0.000 0.000 0.266 499 K C -0.126 176.607 176.600 0.221 0.000 0.975 499 K CA -0.963 55.396 56.287 0.121 0.000 0.865 499 K CB 0.425 32.975 32.500 0.083 0.000 1.087 499 K HN 0.129 nan 8.250 nan 0.000 0.446 500 N N 5.029 123.817 118.700 0.147 0.000 2.444 500 N HA 0.252 4.992 4.740 -0.000 0.000 0.271 500 N C -0.615 174.958 175.510 0.105 0.000 1.069 500 N CA -0.179 52.919 53.050 0.080 0.000 0.965 500 N CB 0.499 38.986 38.487 -0.001 0.000 1.092 500 N HN 0.598 nan 8.380 nan 0.000 0.476 501 W N 1.278 122.444 121.300 -0.224 0.000 3.179 501 W HA 0.488 5.148 4.660 -0.001 0.000 0.372 501 W C -1.400 174.839 176.519 -0.467 0.000 1.137 501 W CA -0.631 56.547 57.345 -0.278 0.000 1.100 501 W CB 0.377 29.819 29.460 -0.031 0.000 1.503 501 W HN 0.373 nan 8.180 nan 0.000 0.601 502 H N 0.465 119.650 119.070 0.191 0.000 2.865 502 H HA 0.613 5.169 4.556 -0.000 0.000 0.362 502 H C -0.644 174.686 175.328 0.005 0.000 1.114 502 H CA -0.704 55.303 56.048 -0.068 0.000 1.208 502 H CB 2.987 32.801 29.762 0.086 0.000 1.727 502 H HN 0.216 nan 8.280 nan 0.000 0.534 503 M N 1.374 120.891 119.600 -0.137 0.000 2.591 503 M HA 0.536 5.016 4.480 -0.000 0.000 0.306 503 M C -0.154 176.069 176.300 -0.128 0.000 1.190 503 M CA -0.130 55.091 55.300 -0.132 0.000 0.889 503 M CB 2.126 34.639 32.600 -0.144 0.000 1.728 503 M HN 0.990 nan 8.290 nan 0.000 0.458 504 G N 0.780 109.537 108.800 -0.072 0.000 2.507 504 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.205 504 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.205 504 G C -0.240 174.685 174.900 0.043 0.000 0.996 504 G CA 0.071 45.127 45.100 -0.073 0.000 0.776 504 G HN 0.865 nan 8.290 nan 0.000 0.532 505 T N -1.813 112.793 114.554 0.087 0.000 2.948 505 T HA 0.803 5.153 4.350 -0.000 0.000 0.285 505 T C -0.204 174.599 174.700 0.171 0.000 1.019 505 T CA -0.053 62.142 62.100 0.160 0.000 1.013 505 T CB 2.354 71.260 68.868 0.064 0.000 1.117 505 T HN 1.393 nan 8.240 nan 0.000 0.533 506 S N 0.228 116.003 115.700 0.125 0.000 2.649 506 S HA 0.352 4.822 4.470 -0.000 0.000 0.274 506 S C 0.003 174.581 174.600 -0.036 0.000 1.176 506 S CA -0.832 57.360 58.200 -0.012 0.000 0.988 506 S CB 0.871 63.859 63.200 -0.353 0.000 1.071 506 S HN 0.747 nan 8.310 nan 0.000 0.478 507 F N 4.546 124.396 119.950 -0.168 0.000 2.134 507 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 507 F C 2.077 177.599 175.800 -0.463 0.000 1.097 507 F CA 1.912 59.696 58.000 -0.359 0.000 1.264 507 F CB 0.019 38.783 39.000 -0.394 0.000 1.001 507 F HN 0.825 nan 8.300 nan 0.000 0.479 508 H N -0.766 118.255 119.070 -0.082 0.000 2.512 508 H HA 0.076 4.632 4.556 -0.000 0.000 0.279 508 H C 1.272 176.443 175.328 -0.260 0.000 0.999 508 H CA 0.721 56.672 56.048 -0.162 0.000 1.283 508 H CB 0.137 29.886 29.762 -0.020 0.000 1.421 508 H HN 0.175 nan 8.280 nan 0.000 0.554 509 K N 1.043 121.313 120.400 -0.217 0.000 2.374 509 K HA 0.209 4.529 4.320 -0.000 0.000 0.196 509 K C 0.281 176.796 176.600 -0.142 0.000 1.023 509 K CA 0.025 56.174 56.287 -0.230 0.000 1.103 509 K CB 0.875 33.070 32.500 -0.508 0.000 0.848 509 K HN -0.037 nan 8.250 nan 0.000 0.528 510 S N 2.707 118.266 115.700 -0.234 0.000 2.509 510 S HA 0.413 4.883 4.470 -0.000 0.000 0.297 510 S C -2.493 171.898 174.600 -0.348 0.000 1.118 510 S CA -1.219 56.849 58.200 -0.220 0.000 1.074 510 S CB 2.040 65.096 63.200 -0.240 0.000 1.038 510 S HN 0.051 nan 8.310 nan 0.000 0.498 511 P HA 0.178 nan 4.420 nan 0.000 0.277 511 P C -0.947 176.180 177.300 -0.287 0.000 1.240 511 P CA -0.605 62.356 63.100 -0.230 0.000 0.798 511 P CB 0.475 32.109 31.700 -0.110 0.000 0.979 512 W N 1.586 122.680 121.300 -0.344 0.000 2.170 512 W HA 0.191 4.851 4.660 0.000 0.000 0.342 512 W C 1.492 177.831 176.519 -0.301 0.000 1.294 512 W CA -0.061 57.059 57.345 -0.375 0.000 1.246 512 W CB 0.270 29.403 29.460 -0.545 0.000 1.156 512 W HN 0.257 nan 8.180 nan 0.000 0.572 513 R N 3.375 123.905 120.500 0.051 0.000 2.221 513 R HA 0.234 4.574 4.340 -0.000 0.000 0.327 513 R C -0.753 175.511 176.300 -0.060 0.000 1.033 513 R CA -0.429 55.675 56.100 0.008 0.000 0.887 513 R CB 0.288 30.648 30.300 0.099 0.000 1.057 513 R HN 0.417 nan 8.270 nan 0.000 0.455 514 K N 3.167 123.460 120.400 -0.178 0.000 2.358 514 K HA 0.264 4.584 4.320 -0.000 0.000 0.260 514 K C -1.087 175.482 176.600 -0.052 0.000 0.956 514 K CA -0.607 55.533 56.287 -0.245 0.000 0.834 514 K CB 2.313 34.470 32.500 -0.573 0.000 1.102 514 K HN 0.424 nan 8.250 nan 0.000 0.431 515 T N 1.794 116.389 114.554 0.069 0.000 2.809 515 T HA 0.077 4.426 4.350 -0.000 0.000 0.296 515 T C -0.803 173.971 174.700 0.123 0.000 1.015 515 T CA -0.650 61.503 62.100 0.089 0.000 0.954 515 T CB 0.764 69.710 68.868 0.129 0.000 0.950 515 T HN 0.413 nan 8.240 nan 0.000 0.450 516 D N 2.838 123.294 120.400 0.092 0.000 2.343 516 D HA 0.154 4.794 4.640 -0.000 0.000 0.255 516 D C 0.603 176.960 176.300 0.096 0.000 1.187 516 D CA -0.409 53.652 54.000 0.101 0.000 0.875 516 D CB 0.764 41.611 40.800 0.078 0.000 1.136 516 D HN 0.429 nan 8.370 nan 0.000 0.469 517 L N 3.177 124.459 121.223 0.098 0.000 2.640 517 L HA 0.324 4.664 4.340 -0.000 0.000 0.230 517 L C 1.512 178.418 176.870 0.059 0.000 1.123 517 L CA -0.000 54.895 54.840 0.092 0.000 0.900 517 L CB -0.532 41.569 42.059 0.070 0.000 1.146 517 L HN 0.696 nan 8.230 nan 0.000 0.484 518 G N 1.280 110.113 108.800 0.054 0.000 2.645 518 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.246 518 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.246 518 G C -0.577 174.339 174.900 0.026 0.000 1.322 518 G CA -0.278 44.845 45.100 0.039 0.000 0.898 518 G HN 0.046 nan 8.290 nan 0.000 0.573 519 L N 1.275 122.509 121.223 0.018 0.000 2.356 519 L HA 0.523 4.863 4.340 -0.000 0.000 0.282 519 L C 0.999 177.871 176.870 0.005 0.000 1.132 519 L CA -0.605 54.241 54.840 0.011 0.000 0.923 519 L CB -0.656 41.408 42.059 0.008 0.000 1.278 519 L HN 0.424 nan 8.230 nan 0.000 0.436 520 I N 7.655 128.217 120.570 -0.014 0.000 2.828 520 I HA -0.004 4.165 4.170 -0.000 0.000 0.292 520 I C -1.505 174.614 176.117 0.005 0.000 1.206 520 I CA -1.020 60.255 61.300 -0.041 0.000 1.420 520 I CB -0.048 37.843 38.000 -0.181 0.000 1.368 520 I HN 0.493 nan 8.210 nan 0.000 0.556 521 P HA -0.050 nan 4.420 nan 0.000 0.269 521 P C 0.272 177.620 177.300 0.081 0.000 1.209 521 P CA 0.067 63.192 63.100 0.042 0.000 0.776 521 P CB 1.070 32.792 31.700 0.037 0.000 0.876 522 S N -0.389 115.365 115.700 0.091 0.000 3.749 522 S HA -0.079 4.390 4.470 -0.000 0.000 0.348 522 S C -0.320 174.405 174.600 0.207 0.000 1.045 522 S CA 0.513 58.796 58.200 0.138 0.000 1.051 522 S CB -1.367 61.930 63.200 0.163 0.000 0.898 522 S HN 0.351 nan 8.310 nan 0.000 0.472 523 V N 1.102 121.109 119.914 0.155 0.000 2.638 523 V HA 0.471 4.591 4.120 -0.000 0.000 0.306 523 V C 1.019 177.147 176.094 0.058 0.000 1.052 523 V CA -0.177 62.237 62.300 0.191 0.000 0.885 523 V CB 2.055 34.009 31.823 0.219 0.000 0.999 523 V HN 0.420 nan 8.190 nan 0.000 0.424 524 T N 2.393 116.914 114.554 -0.054 0.000 2.988 524 T HA 0.241 4.591 4.350 -0.000 0.000 0.240 524 T C 0.216 174.847 174.700 -0.114 0.000 1.014 524 T CA 0.556 62.564 62.100 -0.152 0.000 1.155 524 T CB 0.243 68.908 68.868 -0.338 0.000 0.872 524 T HN 0.683 nan 8.240 nan 0.000 0.440 525 E N 0.568 120.690 120.200 -0.130 0.000 2.321 525 E HA 0.490 4.840 4.350 -0.000 0.000 0.278 525 E C -1.683 175.047 176.600 0.216 0.000 0.902 525 E CA -0.466 55.980 56.400 0.077 0.000 0.758 525 E CB 3.093 32.895 29.700 0.171 0.000 1.213 525 E HN -0.070 nan 8.360 nan 0.000 0.426 526 V N 2.505 122.584 119.914 0.274 0.000 2.407 526 V HA 0.323 4.443 4.120 -0.000 0.000 0.278 526 V C -0.526 175.786 176.094 0.363 0.000 1.037 526 V CA -0.345 62.161 62.300 0.343 0.000 0.900 526 V CB 0.885 32.905 31.823 0.329 0.000 0.983 526 V HN 0.664 nan 8.190 nan 0.000 0.459 527 H N 3.216 122.442 119.070 0.259 0.000 2.856 527 H HA 0.621 5.177 4.556 -0.000 0.000 0.355 527 H C -0.423 175.055 175.328 0.250 0.000 1.079 527 H CA 0.576 56.769 56.048 0.242 0.000 1.240 527 H CB 1.613 31.527 29.762 0.253 0.000 1.701 527 H HN 0.875 nan 8.280 nan 0.000 0.527 528 S N 2.755 118.412 115.700 -0.071 0.000 3.661 528 S HA -0.156 4.314 4.470 -0.000 0.000 0.772 528 S C -1.558 173.206 174.600 0.273 0.000 1.194 528 S CA 0.224 58.469 58.200 0.075 0.000 1.148 528 S CB -0.596 62.717 63.200 0.189 0.000 0.564 528 S HN 0.728 nan 8.310 nan 0.000 0.482 529 F N 1.933 121.939 119.950 0.093 0.000 2.588 529 F HA 0.656 5.183 4.527 -0.000 0.000 0.318 529 F C -0.437 175.428 175.800 0.109 0.000 1.155 529 F CA 0.430 58.481 58.000 0.085 0.000 0.967 529 F CB 1.482 40.476 39.000 -0.010 0.000 1.236 529 F HN 0.932 nan 8.300 nan 0.000 0.455 530 A N 4.149 126.869 122.820 -0.167 0.000 2.363 530 A HA 0.560 4.880 4.320 -0.000 0.000 0.296 530 A C -0.575 176.931 177.584 -0.130 0.000 1.237 530 A CA -0.586 51.447 52.037 -0.008 0.000 0.773 530 A CB 0.501 19.560 19.000 0.099 0.000 1.153 530 A HN 0.644 nan 8.150 nan 0.000 0.473 531 T N 3.710 118.299 114.554 0.059 0.000 2.867 531 T HA 0.139 4.489 4.350 -0.000 0.000 0.297 531 T C 1.351 176.085 174.700 0.057 0.000 0.989 531 T CA 0.044 62.219 62.100 0.125 0.000 1.159 531 T CB 0.177 69.203 68.868 0.263 0.000 0.928 531 T HN 0.437 nan 8.240 nan 0.000 0.538 532 I N 2.184 122.733 120.570 -0.035 0.000 2.512 532 I HA 0.172 4.342 4.170 -0.000 0.000 0.247 532 I C 1.096 177.204 176.117 -0.014 0.000 1.094 532 I CA 0.949 62.068 61.300 -0.303 0.000 1.427 532 I CB -0.648 37.109 38.000 -0.405 0.000 1.149 532 I HN 0.752 nan 8.210 nan 0.000 0.438 533 D N -2.200 118.249 120.400 0.081 0.000 3.376 533 D HA 0.010 4.650 4.640 -0.000 0.000 0.344 533 D C 0.290 176.673 176.300 0.138 0.000 1.428 533 D CA -0.524 53.550 54.000 0.122 0.000 0.949 533 D CB 0.074 40.936 40.800 0.102 0.000 1.451 533 D HN -0.247 nan 8.370 nan 0.000 0.578 534 N N -1.257 117.506 118.700 0.105 0.000 2.512 534 N HA 0.026 4.766 4.740 -0.000 0.000 0.183 534 N C 0.253 175.804 175.510 0.067 0.000 1.073 534 N CA 0.868 53.960 53.050 0.070 0.000 0.911 534 N CB -0.071 38.428 38.487 0.021 0.000 0.964 534 N HN 0.300 nan 8.380 nan 0.000 0.447 535 N N -1.466 117.310 118.700 0.127 0.000 2.332 535 N HA 0.226 4.966 4.740 -0.000 0.000 0.190 535 N C 0.531 176.174 175.510 0.222 0.000 1.117 535 N CA 0.551 53.710 53.050 0.181 0.000 0.883 535 N CB 1.286 39.834 38.487 0.102 0.000 1.089 535 N HN 0.174 nan 8.380 nan 0.000 0.480 536 G N -0.040 108.845 108.800 0.141 0.000 2.561 536 G HA2 0.549 4.509 3.960 -0.000 0.000 0.310 536 G HA3 0.549 4.509 3.960 -0.000 0.000 0.310 536 G C -1.922 173.013 174.900 0.059 0.000 1.292 536 G CA -0.687 44.384 45.100 -0.048 0.000 0.811 536 G HN 0.077 nan 8.290 nan 0.000 0.482 537 F N -2.458 117.471 119.950 -0.035 0.000 2.817 537 F HA 0.905 5.432 4.527 -0.000 0.000 0.317 537 F C -0.430 175.363 175.800 -0.011 0.000 1.168 537 F CA -1.365 56.514 58.000 -0.202 0.000 0.911 537 F CB 1.223 39.822 39.000 -0.668 0.000 1.337 537 F HN 1.114 nan 8.300 nan 0.000 0.464 538 A N 1.693 124.597 122.820 0.140 0.000 2.374 538 A HA 0.900 5.220 4.320 -0.000 0.000 0.317 538 A C -1.243 176.448 177.584 0.177 0.000 1.094 538 A CA -0.872 51.309 52.037 0.241 0.000 0.765 538 A CB 1.515 20.610 19.000 0.157 0.000 1.268 538 A HN 0.802 nan 8.150 nan 0.000 0.438 539 M N 1.567 121.373 119.600 0.343 0.000 2.465 539 M HA 0.503 4.982 4.480 -0.000 0.000 0.316 539 M C 0.577 177.065 176.300 0.314 0.000 1.121 539 M CA -0.410 55.084 55.300 0.322 0.000 0.934 539 M CB 2.353 35.205 32.600 0.420 0.000 1.692 539 M HN 0.854 nan 8.290 nan 0.000 0.444 540 G N 1.246 110.226 108.800 0.301 0.000 2.562 540 G HA2 0.572 4.532 3.960 -0.000 0.000 0.275 540 G HA3 0.572 4.532 3.960 -0.000 0.000 0.275 540 G C -1.552 173.525 174.900 0.294 0.000 1.196 540 G CA -0.085 45.180 45.100 0.275 0.000 0.908 540 G HN 0.798 nan 8.290 nan 0.000 0.524 541 Y N -1.201 119.092 120.300 -0.011 0.000 2.656 541 Y HA 0.693 5.243 4.550 -0.000 0.000 0.334 541 Y C -0.881 175.065 175.900 0.077 0.000 1.179 541 Y CA -1.495 56.597 58.100 -0.013 0.000 1.050 541 Y CB 0.916 39.190 38.460 -0.310 0.000 1.308 541 Y HN 1.062 nan 8.280 nan 0.000 0.456 542 H N -0.061 118.909 119.070 -0.166 0.000 3.008 542 H HA 0.634 5.190 4.556 -0.000 0.000 0.354 542 H C -1.809 173.531 175.328 0.019 0.000 1.252 542 H CA -1.064 54.811 56.048 -0.289 0.000 1.117 542 H CB 2.200 31.853 29.762 -0.182 0.000 1.857 542 H HN 0.752 nan 8.280 nan 0.000 0.547 543 Q N 1.321 121.102 119.800 -0.032 0.000 2.310 543 Q HA 0.426 4.766 4.340 -0.000 0.000 0.270 543 Q C -0.695 175.357 176.000 0.088 0.000 1.025 543 Q CA -0.326 55.474 55.803 -0.004 0.000 0.772 543 Q CB 1.815 30.625 28.738 0.120 0.000 1.253 543 Q HN 1.123 nan 8.270 nan 0.000 0.450 544 G N 3.290 112.136 108.800 0.078 0.000 4.008 544 G HA2 0.075 4.035 3.960 -0.000 0.000 0.278 544 G HA3 0.075 4.035 3.960 -0.000 0.000 0.278 544 G C 0.261 175.206 174.900 0.075 0.000 1.021 544 G CA -0.114 45.066 45.100 0.134 0.000 0.833 544 G HN 0.609 nan 8.290 nan 0.000 0.454 545 D N 0.311 120.737 120.400 0.043 0.000 2.213 545 D HA 0.041 4.681 4.640 -0.000 0.000 0.205 545 D C 1.252 177.570 176.300 0.030 0.000 0.961 545 D CA 1.258 55.275 54.000 0.029 0.000 0.853 545 D CB 0.936 41.744 40.800 0.012 0.000 0.967 545 D HN 0.378 nan 8.370 nan 0.000 0.496 546 V N -2.759 117.175 119.914 0.034 0.000 3.159 546 V HA 0.767 4.887 4.120 -0.000 0.000 0.308 546 V C -0.793 175.322 176.094 0.035 0.000 1.190 546 V CA -1.375 60.944 62.300 0.030 0.000 1.037 546 V CB 1.645 33.483 31.823 0.026 0.000 1.060 546 V HN 0.002 nan 8.190 nan 0.000 0.437 547 A N 2.879 125.716 122.820 0.028 0.000 2.425 547 A HA 0.804 5.124 4.320 -0.000 0.000 0.249 547 A C -1.856 175.747 177.584 0.032 0.000 1.084 547 A CA -0.790 51.263 52.037 0.028 0.000 0.781 547 A CB -0.597 18.415 19.000 0.020 0.000 1.019 547 A HN 0.947 nan 8.150 nan 0.000 0.490 548 P HA 0.427 nan 4.420 nan 0.000 0.287 548 P C -0.467 176.858 177.300 0.042 0.000 1.270 548 P CA -0.895 62.225 63.100 0.032 0.000 0.844 548 P CB 0.765 32.482 31.700 0.027 0.000 1.068 549 R N 1.045 121.568 120.500 0.037 0.000 2.638 549 R HA 0.100 4.440 4.340 -0.000 0.000 0.268 549 R C 0.181 176.502 176.300 0.034 0.000 1.006 549 R CA 0.636 56.762 56.100 0.044 0.000 1.088 549 R CB 0.220 30.539 30.300 0.032 0.000 0.950 549 R HN 0.523 nan 8.270 nan 0.000 0.419 550 E N 1.346 121.564 120.200 0.031 0.000 2.266 550 E HA 0.411 4.760 4.350 -0.000 0.000 0.268 550 E C -1.332 175.166 176.600 -0.171 0.000 0.879 550 E CA -0.865 55.522 56.400 -0.022 0.000 0.762 550 E CB 2.634 32.383 29.700 0.083 0.000 1.199 550 E HN 0.145 nan 8.360 nan 0.000 0.422 551 V N 1.565 121.326 119.914 -0.256 0.000 2.623 551 V HA 0.767 4.887 4.120 -0.000 0.000 0.304 551 V C 0.165 175.988 176.094 -0.450 0.000 1.054 551 V CA -0.311 61.754 62.300 -0.391 0.000 0.882 551 V CB 1.620 33.306 31.823 -0.228 0.000 1.002 551 V HN 0.916 nan 8.190 nan 0.000 0.424 552 G N 3.760 112.170 108.800 -0.650 0.000 2.562 552 G HA2 0.695 4.655 3.960 -0.000 0.000 0.190 552 G HA3 0.695 4.655 3.960 -0.000 0.000 0.190 552 G C -1.737 173.160 174.900 -0.006 0.000 1.196 552 G CA 0.090 45.059 45.100 -0.219 0.000 0.986 552 G HN 1.218 nan 8.290 nan 0.000 0.512 553 L N -2.852 118.517 121.223 0.245 0.000 2.469 553 L HA 0.932 5.271 4.340 -0.000 0.000 0.256 553 L C -1.801 175.116 176.870 0.079 0.000 1.006 553 L CA -1.096 53.863 54.840 0.199 0.000 0.832 553 L CB 1.752 43.967 42.059 0.260 0.000 1.421 553 L HN 0.352 nan 8.230 nan 0.000 0.410 554 F N 1.666 121.797 119.950 0.302 0.000 2.426 554 F HA 0.502 5.028 4.527 -0.000 0.000 0.348 554 F C -0.637 175.297 175.800 0.224 0.000 1.124 554 F CA -0.582 57.511 58.000 0.156 0.000 1.008 554 F CB 1.430 40.417 39.000 -0.021 0.000 1.139 554 F HN 0.498 nan 8.300 nan 0.000 0.452 555 Y N 4.345 124.745 120.300 0.166 0.000 2.341 555 Y HA 0.483 5.033 4.550 -0.000 0.000 0.340 555 Y C -1.414 174.404 175.900 -0.137 0.000 0.997 555 Y CA -2.069 56.051 58.100 0.033 0.000 1.149 555 Y CB 0.398 38.849 38.460 -0.015 0.000 1.171 555 Y HN 0.442 nan 8.280 nan 0.000 0.494 556 F N 9.519 129.134 119.950 -0.557 0.000 2.303 556 F HA 0.335 4.861 4.527 -0.000 0.000 0.368 556 F C -1.604 173.569 175.800 -1.044 0.000 1.105 556 F CA -1.960 55.574 58.000 -0.776 0.000 1.153 556 F CB 1.033 39.422 39.000 -1.017 0.000 1.362 556 F HN 0.489 nan 8.300 nan 0.000 0.511 557 P HA -0.159 nan 4.420 nan 0.000 0.216 557 P C 0.092 177.212 177.300 -0.300 0.000 1.153 557 P CA 1.426 64.016 63.100 -0.849 0.000 0.848 557 P CB 0.316 31.662 31.700 -0.589 0.000 0.787 558 D N -1.698 118.582 120.400 -0.201 0.000 2.363 558 D HA 0.354 4.994 4.640 -0.000 0.000 0.258 558 D C 0.598 176.913 176.300 0.024 0.000 1.259 558 D CA -0.609 53.379 54.000 -0.020 0.000 0.921 558 D CB 0.459 41.273 40.800 0.023 0.000 1.201 558 D HN -0.138 nan 8.370 nan 0.000 0.524 559 A N 2.475 125.285 122.820 -0.017 0.000 2.119 559 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 559 A C 1.441 179.086 177.584 0.101 0.000 1.153 559 A CA 0.644 52.640 52.037 -0.069 0.000 0.692 559 A CB -0.408 18.295 19.000 -0.494 0.000 0.799 559 A HN 0.473 nan 8.150 nan 0.000 0.458 560 F N 0.115 120.227 119.950 0.269 0.000 2.098 560 F HA -0.051 4.476 4.527 -0.000 0.000 0.294 560 F C 2.215 178.144 175.800 0.215 0.000 1.107 560 F CA 1.904 60.142 58.000 0.397 0.000 1.234 560 F CB -0.559 38.659 39.000 0.363 0.000 1.002 560 F HN 0.226 nan 8.300 nan 0.000 0.472 561 N N -1.367 117.508 118.700 0.291 0.000 2.333 561 N HA -0.020 4.720 4.740 -0.000 0.000 0.178 561 N C -0.150 175.398 175.510 0.062 0.000 1.018 561 N CA 0.923 54.054 53.050 0.135 0.000 0.882 561 N CB 0.112 38.666 38.487 0.112 0.000 0.984 561 N HN -0.043 nan 8.380 nan 0.000 0.434 562 S N 0.527 116.270 115.700 0.072 0.000 2.204 562 S HA 0.203 4.673 4.470 -0.000 0.000 0.147 562 S C -2.196 172.452 174.600 0.081 0.000 1.711 562 S CA -0.886 57.338 58.200 0.040 0.000 1.274 562 S CB 1.348 64.548 63.200 -0.000 0.000 1.257 562 S HN 0.147 nan 8.310 nan 0.000 0.404 563 P HA -0.085 nan 4.420 nan 0.000 0.222 563 P C 1.318 178.808 177.300 0.318 0.000 1.147 563 P CA 0.966 64.194 63.100 0.213 0.000 0.790 563 P CB 0.053 31.865 31.700 0.188 0.000 0.780 564 S N -2.335 113.479 115.700 0.190 0.000 2.575 564 S HA 0.078 4.548 4.470 -0.000 0.000 0.215 564 S C 0.718 175.368 174.600 0.083 0.000 0.966 564 S CA -0.452 57.861 58.200 0.189 0.000 0.911 564 S CB -0.841 62.418 63.200 0.098 0.000 0.780 564 S HN -0.056 nan 8.310 nan 0.000 0.514 565 N N 2.466 121.158 118.700 -0.013 0.000 2.422 565 N HA 0.487 5.226 4.740 -0.000 0.000 0.266 565 N C -0.910 174.359 175.510 -0.401 0.000 1.007 565 N CA -0.356 52.554 53.050 -0.233 0.000 0.941 565 N CB 1.015 39.388 38.487 -0.190 0.000 1.115 565 N HN 0.628 nan 8.380 nan 0.000 0.492 566 Y N -1.404 118.533 120.300 -0.604 0.000 2.625 566 Y HA 0.744 5.294 4.550 -0.000 0.000 0.338 566 Y C -1.199 174.433 175.900 -0.447 0.000 1.123 566 Y CA -1.392 56.203 58.100 -0.842 0.000 1.046 566 Y CB 0.939 38.463 38.460 -1.560 0.000 1.299 566 Y HN 0.118 nan 8.280 nan 0.000 0.464 567 V N 3.405 123.238 119.914 -0.134 0.000 2.588 567 V HA 0.603 4.723 4.120 -0.000 0.000 0.304 567 V C -0.842 175.404 176.094 0.255 0.000 1.042 567 V CA -0.985 61.311 62.300 -0.006 0.000 0.877 567 V CB 1.620 33.443 31.823 0.001 0.000 0.996 567 V HN 0.948 nan 8.190 nan 0.000 0.425 568 R N 6.202 126.873 120.500 0.284 0.000 2.357 568 R HA 0.692 5.031 4.340 -0.000 0.000 0.296 568 R C -0.862 175.604 176.300 0.278 0.000 1.052 568 R CA -0.711 55.627 56.100 0.397 0.000 0.988 568 R CB 1.072 31.627 30.300 0.426 0.000 1.025 568 R HN 0.665 nan 8.270 nan 0.000 0.469 569 R N 2.242 122.924 120.500 0.304 0.000 2.574 569 R HA 0.227 4.566 4.340 -0.000 0.000 0.288 569 R C -0.859 175.642 176.300 0.335 0.000 1.004 569 R CA -0.809 55.461 56.100 0.284 0.000 0.895 569 R CB 2.725 33.169 30.300 0.239 0.000 1.191 569 R HN 0.642 nan 8.270 nan 0.000 0.444 570 Q N 2.465 122.446 119.800 0.303 0.000 2.266 570 Q HA 0.435 4.775 4.340 -0.000 0.000 0.261 570 Q C 0.419 176.523 176.000 0.173 0.000 0.985 570 Q CA -0.849 55.069 55.803 0.192 0.000 0.873 570 Q CB 2.426 31.249 28.738 0.142 0.000 1.306 570 Q HN 0.557 nan 8.270 nan 0.000 0.447 571 I N -1.331 119.116 120.570 -0.206 0.000 3.060 571 I HA 0.279 4.449 4.170 -0.000 0.000 0.285 571 I C -2.226 173.721 176.117 -0.283 0.000 1.190 571 I CA -2.115 58.743 61.300 -0.737 0.000 1.363 571 I CB -0.094 37.274 38.000 -1.054 0.000 1.396 571 I HN 0.320 nan 8.210 nan 0.000 0.607 572 P HA -0.012 nan 4.420 nan 0.000 0.266 572 P C 0.501 177.856 177.300 0.092 0.000 1.195 572 P CA 0.084 63.244 63.100 0.100 0.000 0.768 572 P CB 0.772 32.647 31.700 0.292 0.000 0.838 573 S N 2.294 118.027 115.700 0.056 0.000 2.447 573 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 573 S C 1.489 176.067 174.600 -0.037 0.000 1.006 573 S CA 1.091 59.299 58.200 0.013 0.000 0.957 573 S CB -0.894 62.317 63.200 0.018 0.000 0.773 573 S HN 0.648 nan 8.310 nan 0.000 0.507 574 E N -0.084 120.056 120.200 -0.099 0.000 2.338 574 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 574 E C 0.992 177.357 176.600 -0.391 0.000 1.007 574 E CA 0.861 57.101 56.400 -0.266 0.000 0.849 574 E CB -0.533 28.945 29.700 -0.371 0.000 0.774 574 E HN 0.767 nan 8.360 nan 0.000 0.506 575 Y N 1.039 121.332 120.300 -0.012 0.000 2.457 575 Y HA 0.232 4.782 4.550 -0.000 0.000 0.263 575 Y C 1.531 177.405 175.900 -0.044 0.000 1.164 575 Y CA 0.112 58.210 58.100 -0.002 0.000 1.274 575 Y CB 0.417 38.932 38.460 0.091 0.000 1.097 575 Y HN 0.071 nan 8.280 nan 0.000 0.523 576 E N 0.641 120.861 120.200 0.034 0.000 2.158 576 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 576 E C -1.741 174.854 176.600 -0.009 0.000 0.982 576 E CA -0.199 56.196 56.400 -0.007 0.000 0.823 576 E CB -1.105 28.581 29.700 -0.023 0.000 0.766 576 E HN 0.243 nan 8.360 nan 0.000 0.468 577 P HA -0.053 nan 4.420 nan 0.000 0.266 577 P C -0.510 176.782 177.300 -0.013 0.000 1.195 577 P CA 0.706 63.796 63.100 -0.016 0.000 0.768 577 P CB 0.311 31.992 31.700 -0.032 0.000 0.838 578 D N -1.541 118.853 120.400 -0.010 0.000 2.945 578 D HA -0.180 4.460 4.640 -0.000 0.000 0.225 578 D C 0.058 176.346 176.300 -0.020 0.000 1.158 578 D CA 1.494 55.486 54.000 -0.013 0.000 0.805 578 D CB -1.572 39.213 40.800 -0.025 0.000 1.098 578 D HN 0.584 nan 8.370 nan 0.000 0.426 579 A N -0.167 122.634 122.820 -0.033 0.000 2.413 579 A HA 0.839 5.159 4.320 -0.000 0.000 0.307 579 A C 0.255 177.735 177.584 -0.175 0.000 1.087 579 A CA 0.377 52.373 52.037 -0.067 0.000 0.750 579 A CB 2.304 21.285 19.000 -0.032 0.000 1.296 579 A HN 0.494 nan 8.150 nan 0.000 0.423 580 S N 0.034 115.561 115.700 -0.289 0.000 2.661 580 S HA 0.548 5.018 4.470 -0.000 0.000 0.268 580 S C -0.874 173.417 174.600 -0.516 0.000 1.162 580 S CA -0.252 57.516 58.200 -0.719 0.000 0.817 580 S CB 0.213 62.888 63.200 -0.874 0.000 1.141 580 S HN 1.087 nan 8.310 nan 0.000 0.477 581 E N 0.878 120.703 120.200 -0.626 0.000 2.202 581 E HA -0.132 4.218 4.350 -0.000 0.000 0.169 581 E C -2.374 173.964 176.600 -0.437 0.000 1.536 581 E CA 0.609 56.624 56.400 -0.642 0.000 0.664 581 E CB -1.490 27.781 29.700 -0.715 0.000 1.064 581 E HN 0.529 nan 8.360 nan 0.000 0.327 582 P HA 0.031 nan 4.420 nan 0.000 0.276 582 P C -0.085 177.457 177.300 0.403 0.000 1.230 582 P CA -0.302 62.880 63.100 0.137 0.000 0.776 582 P CB 0.843 32.605 31.700 0.103 0.000 0.888 583 C N 5.030 124.603 119.300 0.454 0.000 2.347 583 C HA 0.587 5.046 4.460 -0.000 0.000 0.353 583 C C 0.963 176.259 174.990 0.511 0.000 1.273 583 C CA -0.304 59.009 59.018 0.492 0.000 1.861 583 C CB -1.083 26.953 27.740 0.494 0.000 2.420 583 C HN 0.472 nan 8.230 nan 0.000 0.542 584 I N 0.876 121.679 120.570 0.389 0.000 2.569 584 I HA 0.870 5.040 4.170 -0.000 0.000 0.296 584 I C -0.667 175.633 176.117 0.305 0.000 1.028 584 I CA -0.655 60.903 61.300 0.429 0.000 1.082 584 I CB 1.605 39.822 38.000 0.363 0.000 1.264 584 I HN 0.394 nan 8.210 nan 0.000 0.429 585 K N 3.374 124.050 120.400 0.459 0.000 2.508 585 K HA 0.537 4.857 4.320 -0.000 0.000 0.260 585 K C -2.098 174.776 176.600 0.458 0.000 0.949 585 K CA -0.674 55.802 56.287 0.316 0.000 0.834 585 K CB 2.353 34.946 32.500 0.155 0.000 1.365 585 K HN 0.603 nan 8.250 nan 0.000 0.437 586 Y N 2.110 122.398 120.300 -0.019 0.000 2.331 586 Y HA 0.511 5.061 4.550 -0.000 0.000 0.334 586 Y C -1.792 173.982 175.900 -0.210 0.000 0.960 586 Y CA -0.489 57.606 58.100 -0.007 0.000 1.130 586 Y CB 0.974 39.420 38.460 -0.022 0.000 1.164 586 Y HN 0.550 nan 8.280 nan 0.000 0.458 587 Y N 4.280 124.529 120.300 -0.085 0.000 2.354 587 Y HA 0.228 4.778 4.550 -0.000 0.000 0.330 587 Y C -0.419 175.362 175.900 -0.198 0.000 1.011 587 Y CA -1.506 56.587 58.100 -0.011 0.000 1.099 587 Y CB 1.530 40.134 38.460 0.240 0.000 1.179 587 Y HN 0.645 nan 8.280 nan 0.000 0.442 588 D N 2.873 123.247 120.400 -0.044 0.000 2.704 588 D HA -0.205 4.434 4.640 -0.000 0.000 0.232 588 D C 1.254 177.427 176.300 -0.210 0.000 1.183 588 D CA 1.895 55.852 54.000 -0.073 0.000 0.647 588 D CB -0.985 39.834 40.800 0.032 0.000 1.013 588 D HN 1.164 nan 8.370 nan 0.000 0.415 589 G N -2.090 106.412 108.800 -0.497 0.000 2.162 589 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 589 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 589 G C 0.278 174.943 174.900 -0.392 0.000 0.976 589 G CA 0.287 45.167 45.100 -0.366 0.000 0.655 589 G HN 0.654 nan 8.290 nan 0.000 0.533 590 V N 0.646 120.223 119.914 -0.561 0.000 2.448 590 V HA 0.713 4.832 4.120 -0.000 0.000 0.295 590 V C 0.192 176.043 176.094 -0.404 0.000 1.025 590 V CA -0.870 61.166 62.300 -0.441 0.000 0.859 590 V CB 1.869 33.394 31.823 -0.496 0.000 0.988 590 V HN 0.438 nan 8.190 nan 0.000 0.431 591 L N 5.854 126.981 121.223 -0.160 0.000 2.272 591 L HA 0.587 4.927 4.340 -0.000 0.000 0.289 591 L C -1.068 175.839 176.870 0.061 0.000 1.032 591 L CA 0.129 55.047 54.840 0.129 0.000 0.810 591 L CB 0.581 42.778 42.059 0.231 0.000 1.205 591 L HN 0.567 nan 8.230 nan 0.000 0.422 592 Y N 5.387 125.985 120.300 0.498 0.000 2.361 592 Y HA 0.625 5.175 4.550 -0.000 0.000 0.332 592 Y C -0.286 175.991 175.900 0.628 0.000 1.101 592 Y CA -0.565 57.862 58.100 0.545 0.000 1.137 592 Y CB 1.578 40.331 38.460 0.489 0.000 1.207 592 Y HN 0.497 nan 8.280 nan 0.000 0.463 593 L N 4.851 126.470 121.223 0.660 0.000 2.470 593 L HA 0.677 5.017 4.340 -0.000 0.000 0.268 593 L C -1.743 175.375 176.870 0.412 0.000 0.964 593 L CA -0.413 54.737 54.840 0.517 0.000 0.839 593 L CB 1.258 43.512 42.059 0.325 0.000 1.276 593 L HN 0.636 nan 8.230 nan 0.000 0.403 594 I N 3.493 124.316 120.570 0.423 0.000 2.498 594 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 594 I C 0.097 176.380 176.117 0.277 0.000 1.032 594 I CA -0.561 60.943 61.300 0.340 0.000 1.073 594 I CB 2.413 40.630 38.000 0.362 0.000 1.251 594 I HN 0.600 nan 8.210 nan 0.000 0.426 595 T N 2.639 117.316 114.554 0.205 0.000 2.934 595 T HA 0.417 4.767 4.350 -0.000 0.000 0.283 595 T C -0.051 174.690 174.700 0.068 0.000 1.005 595 T CA -0.841 61.322 62.100 0.104 0.000 1.041 595 T CB 2.066 70.982 68.868 0.079 0.000 1.042 595 T HN 0.539 nan 8.240 nan 0.000 0.505 596 R N 0.662 121.156 120.500 -0.011 0.000 2.308 596 R HA 0.458 4.798 4.340 -0.000 0.000 0.305 596 R C 0.396 176.675 176.300 -0.034 0.000 1.053 596 R CA -0.371 55.710 56.100 -0.031 0.000 0.957 596 R CB 0.507 30.769 30.300 -0.063 0.000 1.022 596 R HN 0.952 nan 8.270 nan 0.000 0.461 597 G N 1.091 109.876 108.800 -0.025 0.000 2.372 597 G HA2 0.103 4.063 3.960 -0.000 0.000 0.283 597 G HA3 0.103 4.063 3.960 -0.000 0.000 0.283 597 G C 0.982 175.907 174.900 0.042 0.000 1.177 597 G CA -0.407 44.687 45.100 -0.010 0.000 0.842 597 G HN 0.746 nan 8.290 nan 0.000 0.503 598 T N -0.717 113.860 114.554 0.038 0.000 3.081 598 T HA 0.226 4.576 4.350 -0.000 0.000 0.255 598 T C 0.947 175.732 174.700 0.142 0.000 1.113 598 T CA 0.193 62.361 62.100 0.113 0.000 1.082 598 T CB 0.176 69.079 68.868 0.058 0.000 0.939 598 T HN 0.432 nan 8.240 nan 0.000 0.506 599 R N -0.629 119.853 120.500 -0.030 0.000 2.548 599 R HA 0.496 4.835 4.340 -0.000 0.000 0.280 599 R C 0.995 176.973 176.300 -0.536 0.000 1.061 599 R CA -0.509 55.484 56.100 -0.177 0.000 0.915 599 R CB 1.586 31.823 30.300 -0.105 0.000 1.210 599 R HN 0.140 nan 8.270 nan 0.000 0.442 600 G N 1.017 109.256 108.800 -0.934 0.000 2.509 600 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 600 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 600 G C 0.491 175.078 174.900 -0.523 0.000 1.124 600 G CA 0.656 44.999 45.100 -1.262 0.000 0.776 600 G HN 0.696 nan 8.290 nan 0.000 0.547 601 D N -0.741 119.468 120.400 -0.318 0.000 2.525 601 D HA 0.174 4.814 4.640 -0.000 0.000 0.229 601 D C 0.608 176.824 176.300 -0.139 0.000 1.202 601 D CA -0.326 53.564 54.000 -0.182 0.000 0.828 601 D CB 0.436 41.163 40.800 -0.121 0.000 1.008 601 D HN 0.007 nan 8.370 nan 0.000 0.493 602 R N -0.040 120.364 120.500 -0.160 0.000 2.774 602 R HA 0.330 4.670 4.340 -0.000 0.000 0.272 602 R C -0.627 175.609 176.300 -0.108 0.000 1.000 602 R CA -1.195 54.839 56.100 -0.110 0.000 0.906 602 R CB 1.090 31.337 30.300 -0.088 0.000 1.227 602 R HN -0.011 nan 8.270 nan 0.000 0.468 603 L N 1.827 123.004 121.223 -0.076 0.000 2.678 603 L HA 0.020 4.360 4.340 -0.000 0.000 0.285 603 L C 1.328 178.174 176.870 -0.041 0.000 1.233 603 L CA 1.124 55.932 54.840 -0.054 0.000 0.920 603 L CB -0.406 41.625 42.059 -0.047 0.000 1.176 603 L HN 0.889 nan 8.230 nan 0.000 0.495 604 G N 2.386 111.169 108.800 -0.029 0.000 3.134 604 G HA2 0.279 4.239 3.960 -0.000 0.000 0.158 604 G HA3 0.279 4.239 3.960 -0.000 0.000 0.158 604 G C -0.286 174.644 174.900 0.050 0.000 1.334 604 G CA -0.394 44.694 45.100 -0.020 0.000 1.001 604 G HN 0.552 nan 8.290 nan 0.000 0.600 605 S N 0.236 115.967 115.700 0.051 0.000 2.563 605 S HA 0.383 4.853 4.470 -0.000 0.000 0.294 605 S C 0.436 175.222 174.600 0.311 0.000 1.279 605 S CA 0.206 58.498 58.200 0.152 0.000 1.069 605 S CB 0.403 63.642 63.200 0.066 0.000 0.828 605 S HN 0.907 nan 8.310 nan 0.000 0.497 606 S N 3.282 119.106 115.700 0.207 0.000 2.599 606 S HA 0.746 5.216 4.470 -0.000 0.000 0.294 606 S C -0.911 173.566 174.600 -0.205 0.000 1.094 606 S CA -1.013 57.139 58.200 -0.081 0.000 0.931 606 S CB 1.241 64.330 63.200 -0.185 0.000 1.093 606 S HN 0.601 nan 8.310 nan 0.000 0.488 607 L N 2.146 122.974 121.223 -0.658 0.000 2.346 607 L HA 0.638 4.978 4.340 -0.000 0.000 0.276 607 L C -1.262 175.199 176.870 -0.682 0.000 1.006 607 L CA -0.496 54.050 54.840 -0.490 0.000 0.817 607 L CB 1.455 43.126 42.059 -0.646 0.000 1.272 607 L HN 0.898 nan 8.230 nan 0.000 0.421 608 H N 3.734 122.875 119.070 0.118 0.000 2.930 608 H HA 0.496 5.052 4.556 -0.000 0.000 0.371 608 H C -1.171 174.496 175.328 0.565 0.000 1.169 608 H CA -0.908 55.297 56.048 0.261 0.000 1.157 608 H CB 2.322 31.939 29.762 -0.242 0.000 1.789 608 H HN 0.580 nan 8.280 nan 0.000 0.547 609 R N 0.278 121.157 120.500 0.632 0.000 2.795 609 R HA 0.733 5.073 4.340 -0.000 0.000 0.275 609 R C -1.059 175.296 176.300 0.091 0.000 0.981 609 R CA -1.026 55.201 56.100 0.213 0.000 0.917 609 R CB 2.247 32.376 30.300 -0.286 0.000 1.202 609 R HN 0.445 nan 8.270 nan 0.000 0.469 610 S N 0.039 115.608 115.700 -0.218 0.000 2.540 610 S HA 0.413 4.883 4.470 -0.000 0.000 0.275 610 S C -0.296 174.107 174.600 -0.328 0.000 1.123 610 S CA -0.932 57.008 58.200 -0.434 0.000 0.907 610 S CB 1.594 64.210 63.200 -0.974 0.000 1.081 610 S HN 0.773 nan 8.310 nan 0.000 0.476 611 R N 1.217 121.552 120.500 -0.275 0.000 2.393 611 R HA 0.182 4.522 4.340 -0.000 0.000 0.244 611 R C -0.618 175.585 176.300 -0.161 0.000 0.920 611 R CA 0.348 56.334 56.100 -0.190 0.000 1.076 611 R CB 0.073 30.279 30.300 -0.157 0.000 1.119 611 R HN 0.668 nan 8.270 nan 0.000 0.524 612 D N -0.544 119.718 120.400 -0.230 0.000 2.819 612 D HA 0.125 4.764 4.640 -0.000 0.000 0.326 612 D C 0.134 176.270 176.300 -0.274 0.000 1.408 612 D CA -0.546 53.331 54.000 -0.206 0.000 0.811 612 D CB -0.350 40.344 40.800 -0.178 0.000 1.148 612 D HN 0.036 nan 8.370 nan 0.000 0.457 613 I N 0.567 120.956 120.570 -0.302 0.000 6.679 613 I HA -0.269 3.901 4.170 -0.000 0.000 0.126 613 I C 1.282 177.193 176.117 -0.343 0.000 1.811 613 I CA 0.766 61.851 61.300 -0.358 0.000 2.117 613 I CB -1.453 36.189 38.000 -0.596 0.000 3.492 613 I HN 0.565 nan 8.210 nan 0.000 0.193 614 G N 0.095 108.537 108.800 -0.597 0.000 2.176 614 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.232 614 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.232 614 G C 0.521 175.147 174.900 -0.456 0.000 0.986 614 G CA 0.423 45.103 45.100 -0.700 0.000 0.643 614 G HN 0.550 nan 8.290 nan 0.000 0.522 615 Q N 0.007 119.589 119.800 -0.364 0.000 2.046 615 Q HA 0.111 4.451 4.340 -0.000 0.000 0.200 615 Q C 1.485 177.363 176.000 -0.204 0.000 0.975 615 Q CA 1.646 57.336 55.803 -0.187 0.000 0.836 615 Q CB 0.018 28.679 28.738 -0.127 0.000 0.896 615 Q HN 0.777 nan 8.270 nan 0.000 0.428 616 T N -3.017 111.322 114.554 -0.359 0.000 2.907 616 T HA 0.576 4.926 4.350 -0.000 0.000 0.292 616 T C -1.367 173.079 174.700 -0.422 0.000 1.043 616 T CA -0.862 61.098 62.100 -0.234 0.000 1.003 616 T CB 1.379 70.174 68.868 -0.122 0.000 1.084 616 T HN 0.211 nan 8.240 nan 0.000 0.483 617 W N 0.120 121.429 121.300 0.016 0.000 3.032 617 W HA 0.598 5.258 4.660 -0.000 0.000 0.335 617 W C -0.440 176.101 176.519 0.036 0.000 1.154 617 W CA -0.733 56.633 57.345 0.034 0.000 1.204 617 W CB 2.081 31.588 29.460 0.079 0.000 1.416 617 W HN 0.942 nan 8.180 nan 0.000 0.521 618 E N 1.546 121.924 120.200 0.296 0.000 2.183 618 E HA 0.722 5.072 4.350 -0.000 0.000 0.271 618 E C -0.848 175.977 176.600 0.375 0.000 0.919 618 E CA -0.308 56.217 56.400 0.208 0.000 0.781 618 E CB 1.333 30.990 29.700 -0.071 0.000 1.140 618 E HN 0.297 nan 8.360 nan 0.000 0.402 619 S N 3.552 119.437 115.700 0.308 0.000 2.632 619 S HA 0.720 5.190 4.470 -0.000 0.000 0.289 619 S C -1.248 173.277 174.600 -0.125 0.000 1.115 619 S CA -0.948 57.229 58.200 -0.039 0.000 0.889 619 S CB 1.381 64.369 63.200 -0.353 0.000 1.116 619 S HN 0.616 nan 8.310 nan 0.000 0.486 620 L N 0.919 121.807 121.223 -0.559 0.000 2.611 620 L HA 0.648 4.988 4.340 -0.000 0.000 0.260 620 L C -1.625 174.892 176.870 -0.588 0.000 0.924 620 L CA -0.641 53.879 54.840 -0.534 0.000 0.901 620 L CB 1.762 43.305 42.059 -0.860 0.000 1.369 620 L HN 0.650 nan 8.230 nan 0.000 0.415 621 R N 3.120 123.426 120.500 -0.324 0.000 2.254 621 R HA 0.529 4.869 4.340 -0.000 0.000 0.318 621 R C -1.140 174.983 176.300 -0.294 0.000 1.031 621 R CA -0.168 55.807 56.100 -0.208 0.000 0.905 621 R CB 0.751 31.038 30.300 -0.022 0.000 1.050 621 R HN 0.519 nan 8.270 nan 0.000 0.456 622 F N 6.397 126.278 119.950 -0.114 0.000 2.529 622 F HA 0.187 4.714 4.527 -0.000 0.000 0.365 622 F C -1.199 174.552 175.800 -0.083 0.000 1.102 622 F CA -1.236 56.722 58.000 -0.069 0.000 1.271 622 F CB 0.515 39.538 39.000 0.037 0.000 1.120 622 F HN 0.438 nan 8.300 nan 0.000 0.579 623 P HA -0.029 nan 4.420 nan 0.000 0.269 623 P C -0.651 176.583 177.300 -0.111 0.000 1.209 623 P CA 0.290 63.274 63.100 -0.193 0.000 0.776 623 P CB 0.373 31.869 31.700 -0.341 0.000 0.876 624 H N 0.046 119.124 119.070 0.013 0.000 2.931 624 H HA -0.143 4.413 4.556 -0.000 0.000 0.290 624 H C -0.143 175.124 175.328 -0.103 0.000 1.264 624 H CA 0.598 56.626 56.048 -0.034 0.000 1.140 624 H CB -2.707 27.051 29.762 -0.007 0.000 1.343 624 H HN 0.723 nan 8.280 nan 0.000 0.403 625 N N -1.333 117.348 118.700 -0.032 0.000 2.686 625 N HA -0.169 4.571 4.740 -0.000 0.000 0.261 625 N C -0.044 175.383 175.510 -0.138 0.000 1.001 625 N CA 0.427 53.413 53.050 -0.108 0.000 0.764 625 N CB -0.494 37.881 38.487 -0.187 0.000 0.898 625 N HN 0.162 nan 8.380 nan 0.000 0.544 626 V N 1.828 121.616 119.914 -0.209 0.000 2.617 626 V HA 0.020 4.140 4.120 -0.000 0.000 0.304 626 V C 0.880 176.781 176.094 -0.322 0.000 1.040 626 V CA 0.479 62.473 62.300 -0.509 0.000 1.149 626 V CB 0.092 31.521 31.823 -0.656 0.000 0.914 626 V HN 0.503 nan 8.190 nan 0.000 0.487 627 H N 2.544 121.238 119.070 -0.627 0.000 3.017 627 H HA 0.418 4.974 4.556 -0.000 0.000 0.346 627 H C 0.283 175.445 175.328 -0.278 0.000 1.286 627 H CA -0.490 55.313 56.048 -0.409 0.000 1.120 627 H CB 0.906 30.386 29.762 -0.470 0.000 1.860 627 H HN 0.752 nan 8.280 nan 0.000 0.542 628 H N -1.632 117.365 119.070 -0.122 0.000 3.898 628 H HA -0.170 4.386 4.556 -0.000 0.000 0.171 628 H C -0.219 175.075 175.328 -0.057 0.000 0.920 628 H CA 1.396 57.388 56.048 -0.093 0.000 1.238 628 H CB -0.720 28.957 29.762 -0.142 0.000 0.997 628 H HN 0.833 nan 8.280 nan 0.000 0.380 629 T N 0.996 115.556 114.554 0.011 0.000 2.863 629 T HA 0.436 4.786 4.350 -0.000 0.000 0.285 629 T C 0.355 175.100 174.700 0.074 0.000 1.009 629 T CA 0.034 62.175 62.100 0.068 0.000 0.989 629 T CB 1.579 70.483 68.868 0.060 0.000 1.004 629 T HN 0.332 nan 8.240 nan 0.000 0.455 630 T N 2.305 116.963 114.554 0.174 0.000 2.849 630 T HA 0.587 4.937 4.350 -0.000 0.000 0.284 630 T C 0.179 175.020 174.700 0.236 0.000 1.004 630 T CA -0.817 61.405 62.100 0.204 0.000 1.021 630 T CB 0.450 69.508 68.868 0.315 0.000 1.013 630 T HN 0.503 nan 8.240 nan 0.000 0.527 631 L N 2.146 123.531 121.223 0.271 0.000 2.556 631 L HA 0.347 4.687 4.340 -0.000 0.000 0.243 631 L C -2.278 174.870 176.870 0.463 0.000 1.331 631 L CA -2.121 52.902 54.840 0.305 0.000 0.927 631 L CB 1.123 43.304 42.059 0.204 0.000 1.219 631 L HN 0.508 nan 8.230 nan 0.000 0.490 632 P HA 0.224 nan 4.420 nan 0.000 0.272 632 P C -0.880 176.732 177.300 0.520 0.000 1.223 632 P CA 0.171 63.531 63.100 0.432 0.000 0.784 632 P CB 0.889 32.823 31.700 0.390 0.000 0.923 633 F N -1.326 118.834 119.950 0.351 0.000 2.713 633 F HA 0.807 5.334 4.527 -0.000 0.000 0.311 633 F C -1.867 174.139 175.800 0.343 0.000 1.141 633 F CA -1.436 56.766 58.000 0.336 0.000 0.939 633 F CB 0.752 39.911 39.000 0.264 0.000 1.325 633 F HN 0.493 nan 8.300 nan 0.000 0.453 634 A N 1.488 124.612 122.820 0.506 0.000 2.430 634 A HA 0.763 5.083 4.320 -0.000 0.000 0.300 634 A C -1.585 176.159 177.584 0.267 0.000 1.124 634 A CA -1.104 51.176 52.037 0.406 0.000 0.766 634 A CB 1.925 21.118 19.000 0.322 0.000 1.328 634 A HN 0.913 nan 8.150 nan 0.000 0.424 635 K N 0.939 121.228 120.400 -0.186 0.000 2.240 635 K HA 0.613 4.933 4.320 -0.000 0.000 0.271 635 K C -1.682 174.720 176.600 -0.330 0.000 1.018 635 K CA -0.275 55.733 56.287 -0.464 0.000 0.874 635 K CB 1.171 33.040 32.500 -1.052 0.000 1.098 635 K HN 0.411 nan 8.250 nan 0.000 0.458 636 V N 4.705 124.531 119.914 -0.147 0.000 2.443 636 V HA 0.456 4.576 4.120 -0.000 0.000 0.293 636 V C 0.748 176.801 176.094 -0.068 0.000 1.021 636 V CA -0.040 62.217 62.300 -0.072 0.000 0.848 636 V CB 0.644 32.465 31.823 -0.003 0.000 0.998 636 V HN 1.164 nan 8.190 nan 0.000 0.424 637 G N 4.698 113.463 108.800 -0.058 0.000 2.611 637 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.301 637 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.301 637 G C 0.425 175.290 174.900 -0.059 0.000 1.233 637 G CA 0.699 45.773 45.100 -0.043 0.000 0.993 637 G HN 0.647 nan 8.290 nan 0.000 0.553 638 D N 1.899 122.273 120.400 -0.044 0.000 2.349 638 D HA 0.170 4.810 4.640 -0.000 0.000 0.224 638 D C 0.110 176.375 176.300 -0.058 0.000 1.029 638 D CA 0.644 54.622 54.000 -0.037 0.000 0.879 638 D CB 0.061 40.849 40.800 -0.020 0.000 0.906 638 D HN 0.301 nan 8.370 nan 0.000 0.528 639 D N 0.491 120.843 120.400 -0.081 0.000 2.192 639 D HA 0.225 4.865 4.640 -0.000 0.000 0.246 639 D C -0.161 176.065 176.300 -0.124 0.000 1.042 639 D CA -0.584 53.361 54.000 -0.092 0.000 0.847 639 D CB 1.911 42.669 40.800 -0.070 0.000 1.186 639 D HN -0.186 nan 8.370 nan 0.000 0.461 640 L N 2.757 123.890 121.223 -0.151 0.000 2.281 640 L HA 0.362 4.702 4.340 -0.000 0.000 0.285 640 L C 0.026 176.863 176.870 -0.054 0.000 1.074 640 L CA -0.137 54.616 54.840 -0.144 0.000 0.817 640 L CB 0.465 42.350 42.059 -0.290 0.000 1.168 640 L HN 0.291 nan 8.230 nan 0.000 0.434 641 I N 5.794 126.412 120.570 0.081 0.000 2.330 641 I HA 0.406 4.576 4.170 -0.000 0.000 0.289 641 I C 0.171 176.433 176.117 0.242 0.000 1.001 641 I CA -0.347 61.023 61.300 0.117 0.000 1.193 641 I CB 0.944 39.065 38.000 0.201 0.000 1.345 641 I HN 0.595 nan 8.210 nan 0.000 0.461 642 M N 4.437 124.095 119.600 0.096 0.000 2.602 642 M HA 0.665 5.145 4.480 -0.000 0.000 0.312 642 M C -1.967 174.357 176.300 0.041 0.000 1.181 642 M CA -0.467 54.980 55.300 0.246 0.000 0.910 642 M CB 2.700 35.442 32.600 0.236 0.000 1.723 642 M HN 0.216 nan 8.290 nan 0.000 0.459 643 F N -0.039 119.929 119.950 0.029 0.000 2.563 643 F HA 0.910 5.437 4.527 -0.000 0.000 0.316 643 F C 0.360 176.013 175.800 -0.244 0.000 1.076 643 F CA -0.293 57.513 58.000 -0.324 0.000 0.921 643 F CB 2.674 40.946 39.000 -1.213 0.000 1.209 643 F HN 0.880 nan 8.300 nan 0.000 0.462 644 G N 0.090 108.891 108.800 0.001 0.000 2.704 644 G HA2 0.588 4.548 3.960 -0.000 0.000 0.293 644 G HA3 0.588 4.548 3.960 -0.000 0.000 0.293 644 G C -1.918 173.141 174.900 0.265 0.000 1.421 644 G CA -0.864 44.364 45.100 0.213 0.000 0.870 644 G HN 0.541 nan 8.290 nan 0.000 0.492 645 S N 0.217 116.154 115.700 0.395 0.000 2.619 645 S HA 0.397 4.867 4.470 -0.000 0.000 0.280 645 S C -0.223 174.607 174.600 0.383 0.000 1.150 645 S CA -0.865 57.531 58.200 0.327 0.000 0.978 645 S CB 1.575 64.957 63.200 0.303 0.000 1.041 645 S HN 0.900 nan 8.310 nan 0.000 0.485 646 E N 2.747 123.203 120.200 0.425 0.000 2.415 646 E HA 0.181 4.530 4.350 -0.000 0.000 0.262 646 E C 0.348 177.046 176.600 0.164 0.000 1.038 646 E CA -0.575 56.007 56.400 0.303 0.000 0.921 646 E CB 0.591 30.486 29.700 0.325 0.000 0.950 646 E HN 0.315 nan 8.360 nan 0.000 0.438 647 R N 1.113 121.670 120.500 0.095 0.000 2.161 647 R HA 0.192 4.532 4.340 -0.000 0.000 0.213 647 R C 0.284 176.535 176.300 -0.081 0.000 1.055 647 R CA 0.915 57.040 56.100 0.041 0.000 0.996 647 R CB -0.278 30.033 30.300 0.017 0.000 0.901 647 R HN 0.627 nan 8.270 nan 0.000 0.456 648 A N 0.511 123.248 122.820 -0.137 0.000 2.594 648 A HA 0.380 4.700 4.320 -0.000 0.000 0.291 648 A C -1.095 176.455 177.584 -0.056 0.000 1.105 648 A CA -0.720 51.159 52.037 -0.263 0.000 0.694 648 A CB 1.409 20.021 19.000 -0.647 0.000 1.291 648 A HN 0.099 nan 8.150 nan 0.000 0.410 649 E N 0.416 120.617 120.200 0.001 0.000 2.414 649 E HA 0.180 4.530 4.350 -0.000 0.000 0.263 649 E C -0.078 176.570 176.600 0.081 0.000 1.000 649 E CA 0.758 57.206 56.400 0.080 0.000 0.914 649 E CB -0.146 29.630 29.700 0.127 0.000 0.948 649 E HN 0.646 nan 8.360 nan 0.000 0.444 650 N N 2.701 121.474 118.700 0.122 0.000 2.776 650 N HA -0.191 4.548 4.740 -0.000 0.000 0.249 650 N C -0.292 175.286 175.510 0.113 0.000 1.111 650 N CA 0.753 53.878 53.050 0.126 0.000 0.711 650 N CB -0.465 38.082 38.487 0.099 0.000 1.065 650 N HN 0.610 nan 8.380 nan 0.000 0.556 651 E N -0.992 119.280 120.200 0.119 0.000 2.473 651 E HA -0.008 4.342 4.350 -0.000 0.000 0.204 651 E C 1.200 177.821 176.600 0.035 0.000 0.994 651 E CA -0.353 56.097 56.400 0.083 0.000 0.945 651 E CB 0.131 29.864 29.700 0.055 0.000 0.990 651 E HN 0.436 nan 8.360 nan 0.000 0.493 652 W N 2.688 123.921 121.300 -0.113 0.000 2.355 652 W HA -0.120 4.540 4.660 -0.000 0.000 0.309 652 W C 0.208 176.639 176.519 -0.145 0.000 1.206 652 W CA 1.276 58.480 57.345 -0.236 0.000 1.284 652 W CB 0.188 29.521 29.460 -0.211 0.000 1.145 652 W HN -0.056 nan 8.180 nan 0.000 0.502 653 E N 0.162 120.449 120.200 0.145 0.000 2.392 653 E HA 0.278 4.628 4.350 -0.000 0.000 0.256 653 E C 0.102 176.718 176.600 0.026 0.000 1.145 653 E CA 0.078 56.510 56.400 0.055 0.000 0.929 653 E CB 0.461 30.182 29.700 0.036 0.000 0.998 653 E HN 0.063 nan 8.360 nan 0.000 0.442 654 A N 1.136 123.936 122.820 -0.034 0.000 2.488 654 A HA 0.440 4.760 4.320 -0.000 0.000 0.249 654 A C 1.264 178.801 177.584 -0.078 0.000 1.083 654 A CA 0.462 52.453 52.037 -0.076 0.000 0.768 654 A CB -0.725 18.269 19.000 -0.010 0.000 1.017 654 A HN 0.840 nan 8.150 nan 0.000 0.496 655 G N 0.904 109.629 108.800 -0.126 0.000 2.179 655 G HA2 0.109 4.069 3.960 -0.000 0.000 0.260 655 G HA3 0.109 4.069 3.960 -0.000 0.000 0.260 655 G C 0.597 175.466 174.900 -0.052 0.000 0.977 655 G CA 0.410 45.456 45.100 -0.089 0.000 0.641 655 G HN 2.223 nan 8.290 nan 0.000 0.533 656 A N 1.664 124.469 122.820 -0.025 0.000 2.451 656 A HA 0.617 4.937 4.320 -0.000 0.000 0.266 656 A C -1.013 176.590 177.584 0.032 0.000 1.119 656 A CA -0.426 51.625 52.037 0.024 0.000 0.786 656 A CB 0.188 19.230 19.000 0.069 0.000 1.061 656 A HN 0.289 nan 8.150 nan 0.000 0.503 657 P HA 0.149 nan 4.420 nan 0.000 0.271 657 P C -0.660 176.684 177.300 0.072 0.000 1.218 657 P CA -0.379 62.747 63.100 0.044 0.000 0.780 657 P CB 0.502 32.225 31.700 0.037 0.000 0.901 658 D N 1.255 121.713 120.400 0.097 0.000 2.478 658 D HA 0.011 4.651 4.640 -0.000 0.000 0.234 658 D C 0.088 176.415 176.300 0.044 0.000 1.154 658 D CA 1.121 55.175 54.000 0.089 0.000 0.874 658 D CB 0.147 41.006 40.800 0.099 0.000 1.198 658 D HN 0.328 nan 8.370 nan 0.000 0.455 659 D N 1.429 121.825 120.400 -0.006 0.000 2.429 659 D HA 0.123 4.763 4.640 -0.000 0.000 0.255 659 D C -0.520 175.747 176.300 -0.056 0.000 1.257 659 D CA -0.557 53.447 54.000 0.006 0.000 0.890 659 D CB 0.293 41.105 40.800 0.020 0.000 1.267 659 D HN 0.065 nan 8.370 nan 0.000 0.521 660 R N 0.914 121.396 120.500 -0.030 0.000 2.810 660 R HA 0.425 4.765 4.340 -0.000 0.000 0.245 660 R C 0.361 176.760 176.300 0.164 0.000 1.168 660 R CA -0.677 55.371 56.100 -0.087 0.000 1.096 660 R CB 0.092 30.173 30.300 -0.365 0.000 1.259 660 R HN 0.485 nan 8.270 nan 0.000 0.518 661 Y N -1.474 119.025 120.300 0.332 0.000 4.841 661 Y HA -0.351 4.199 4.550 -0.000 0.000 0.242 661 Y C 0.084 176.090 175.900 0.177 0.000 1.002 661 Y CA 1.355 59.579 58.100 0.208 0.000 2.011 661 Y CB -1.338 37.200 38.460 0.129 0.000 1.554 661 Y HN 0.527 nan 8.280 nan 0.000 0.618 662 K N -0.109 120.502 120.400 0.351 0.000 2.501 662 K HA 0.879 5.199 4.320 -0.000 0.000 0.252 662 K C -0.432 176.331 176.600 0.271 0.000 0.934 662 K CA -0.529 55.907 56.287 0.248 0.000 0.797 662 K CB 2.148 34.764 32.500 0.192 0.000 1.270 662 K HN 0.131 nan 8.250 nan 0.000 0.431 663 A N 1.939 124.857 122.820 0.164 0.000 2.567 663 A HA 0.333 4.653 4.320 -0.000 0.000 0.240 663 A C 0.129 177.852 177.584 0.231 0.000 1.053 663 A CA 0.707 52.839 52.037 0.157 0.000 0.755 663 A CB -0.473 18.607 19.000 0.132 0.000 0.978 663 A HN 0.966 nan 8.150 nan 0.000 0.507 664 S N 1.369 117.209 115.700 0.234 0.000 2.752 664 S HA 0.679 5.149 4.470 -0.000 0.000 0.284 664 S C -1.113 173.514 174.600 0.045 0.000 1.189 664 S CA -0.633 57.708 58.200 0.234 0.000 0.835 664 S CB 0.748 64.079 63.200 0.218 0.000 1.192 664 S HN 0.569 nan 8.310 nan 0.000 0.506 665 Y N 1.998 122.351 120.300 0.088 0.000 2.863 665 Y HA 0.439 4.989 4.550 -0.000 0.000 0.348 665 Y C -2.428 173.488 175.900 0.026 0.000 1.028 665 Y CA -1.959 56.164 58.100 0.040 0.000 1.213 665 Y CB 1.438 39.912 38.460 0.024 0.000 1.120 665 Y HN 0.445 nan 8.280 nan 0.000 0.598 666 P HA 0.096 nan 4.420 nan 0.000 0.271 666 P C -0.533 176.785 177.300 0.030 0.000 1.216 666 P CA -0.151 62.993 63.100 0.074 0.000 0.776 666 P CB 1.098 32.834 31.700 0.061 0.000 0.881 667 R N 1.298 121.782 120.500 -0.027 0.000 2.441 667 R HA 0.450 4.790 4.340 -0.000 0.000 0.284 667 R C 0.358 176.407 176.300 -0.419 0.000 1.070 667 R CA -0.189 55.739 56.100 -0.286 0.000 1.047 667 R CB 0.411 30.410 30.300 -0.502 0.000 1.016 667 R HN 0.403 nan 8.270 nan 0.000 0.477 668 T N 3.350 117.593 114.554 -0.519 0.000 2.823 668 T HA 0.514 4.864 4.350 -0.000 0.000 0.279 668 T C -0.821 173.443 174.700 -0.727 0.000 0.998 668 T CA -0.376 61.468 62.100 -0.426 0.000 0.994 668 T CB 0.500 69.268 68.868 -0.167 0.000 0.960 668 T HN 0.251 nan 8.240 nan 0.000 0.448 669 F N 2.151 121.878 119.950 -0.371 0.000 2.579 669 F HA 0.683 5.210 4.527 -0.000 0.000 0.324 669 F C -0.340 175.346 175.800 -0.190 0.000 1.058 669 F CA -1.267 56.527 58.000 -0.343 0.000 0.944 669 F CB 1.450 40.091 39.000 -0.599 0.000 1.245 669 F HN 0.587 nan 8.300 nan 0.000 0.477 670 Y N 0.561 120.747 120.300 -0.191 0.000 2.602 670 Y HA 0.940 5.490 4.550 -0.000 0.000 0.342 670 Y C -1.441 174.326 175.900 -0.221 0.000 1.029 670 Y CA -2.129 55.686 58.100 -0.475 0.000 1.080 670 Y CB 1.351 39.057 38.460 -1.257 0.000 1.284 670 Y HN 0.821 nan 8.280 nan 0.000 0.485 671 A N 2.682 125.101 122.820 -0.669 0.000 2.549 671 A HA 0.790 5.110 4.320 -0.000 0.000 0.297 671 A C -1.428 175.790 177.584 -0.611 0.000 1.061 671 A CA -1.217 50.281 52.037 -0.899 0.000 0.690 671 A CB 1.641 19.839 19.000 -1.335 0.000 1.287 671 A HN 0.829 nan 8.150 nan 0.000 0.402 672 R N 0.246 120.422 120.500 -0.541 0.000 2.460 672 R HA 0.678 5.018 4.340 -0.000 0.000 0.303 672 R C -1.462 174.653 176.300 -0.309 0.000 0.968 672 R CA -0.521 55.391 56.100 -0.313 0.000 0.889 672 R CB 1.783 31.947 30.300 -0.228 0.000 1.123 672 R HN 0.636 nan 8.270 nan 0.000 0.455 673 L N 2.725 123.809 121.223 -0.231 0.000 2.438 673 L HA 0.355 4.695 4.340 -0.000 0.000 0.270 673 L C -1.014 175.767 176.870 -0.148 0.000 0.972 673 L CA -0.693 54.017 54.840 -0.216 0.000 0.831 673 L CB 1.871 43.786 42.059 -0.240 0.000 1.273 673 L HN 0.550 nan 8.230 nan 0.000 0.405 674 N N 3.629 122.261 118.700 -0.112 0.000 2.430 674 N HA 0.068 4.808 4.740 -0.000 0.000 0.265 674 N C 1.000 176.531 175.510 0.034 0.000 1.100 674 N CA 0.066 53.087 53.050 -0.049 0.000 0.961 674 N CB 1.915 40.373 38.487 -0.048 0.000 1.075 674 N HN 0.643 nan 8.380 nan 0.000 0.478 675 V N 2.106 122.071 119.914 0.085 0.000 2.626 675 V HA -0.135 3.985 4.120 -0.000 0.000 0.252 675 V C 1.455 177.694 176.094 0.242 0.000 1.067 675 V CA 1.569 64.025 62.300 0.261 0.000 1.081 675 V CB -0.765 31.191 31.823 0.221 0.000 0.686 675 V HN 0.583 nan 8.190 nan 0.000 0.468 676 N N 1.615 120.387 118.700 0.119 0.000 2.188 676 N HA -0.097 4.642 4.740 -0.000 0.000 0.184 676 N C 1.588 177.164 175.510 0.109 0.000 1.018 676 N CA 1.502 54.603 53.050 0.084 0.000 0.858 676 N CB -0.296 38.214 38.487 0.037 0.000 0.989 676 N HN 0.545 nan 8.380 nan 0.000 0.426 677 N N 0.162 118.919 118.700 0.095 0.000 2.409 677 N HA -0.145 4.595 4.740 -0.000 0.000 0.179 677 N C -0.106 175.488 175.510 0.141 0.000 1.032 677 N CA 0.240 53.333 53.050 0.072 0.000 0.898 677 N CB -0.218 38.269 38.487 0.001 0.000 0.971 677 N HN 0.366 nan 8.380 nan 0.000 0.441 678 W N 2.310 123.566 121.300 -0.073 0.000 7.512 678 W HA -0.244 4.416 4.660 -0.000 0.000 0.420 678 W C -0.750 175.701 176.519 -0.113 0.000 1.669 678 W CA 0.469 57.761 57.345 -0.088 0.000 1.211 678 W CB -1.148 28.278 29.460 -0.057 0.000 2.898 678 W HN 0.041 nan 8.180 nan 0.000 1.644 679 N N 1.075 119.606 118.700 -0.281 0.000 2.478 679 N HA 0.416 5.156 4.740 -0.000 0.000 0.291 679 N C 0.098 175.407 175.510 -0.336 0.000 1.090 679 N CA 0.491 53.366 53.050 -0.292 0.000 0.911 679 N CB 1.646 40.048 38.487 -0.143 0.000 1.546 679 N HN 0.019 nan 8.380 nan 0.000 0.500 680 A N 2.420 124.999 122.820 -0.401 0.000 2.308 680 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 680 A C 1.058 178.523 177.584 -0.199 0.000 1.216 680 A CA 0.237 52.063 52.037 -0.350 0.000 0.864 680 A CB 0.102 18.776 19.000 -0.544 0.000 0.902 680 A HN 0.637 nan 8.150 nan 0.000 0.499 681 D N 0.978 121.272 120.400 -0.175 0.000 2.190 681 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 681 D C 0.279 176.536 176.300 -0.073 0.000 0.992 681 D CA 1.279 55.209 54.000 -0.117 0.000 0.854 681 D CB 0.008 40.749 40.800 -0.099 0.000 0.936 681 D HN 0.368 nan 8.370 nan 0.000 0.462 682 D N -0.146 120.201 120.400 -0.089 0.000 2.501 682 D HA 0.126 4.766 4.640 -0.000 0.000 0.226 682 D C 0.608 176.836 176.300 -0.120 0.000 1.198 682 D CA -0.368 53.592 54.000 -0.066 0.000 0.830 682 D CB 0.522 41.281 40.800 -0.069 0.000 1.014 682 D HN 0.235 nan 8.370 nan 0.000 0.496 683 I N 1.645 122.118 120.570 -0.162 0.000 2.775 683 I HA -0.110 4.060 4.170 -0.000 0.000 0.290 683 I C 0.059 175.973 176.117 -0.338 0.000 1.203 683 I CA 0.469 61.574 61.300 -0.326 0.000 1.433 683 I CB 0.482 38.233 38.000 -0.414 0.000 1.354 683 I HN -0.121 nan 8.210 nan 0.000 0.579 684 E N 7.262 127.166 120.200 -0.492 0.000 2.073 684 E HA 0.156 4.506 4.350 -0.000 0.000 0.269 684 E C -1.682 174.619 176.600 -0.499 0.000 0.917 684 E CA -0.427 55.676 56.400 -0.496 0.000 0.757 684 E CB 0.625 29.792 29.700 -0.889 0.000 1.111 684 E HN 0.486 nan 8.360 nan 0.000 0.410 685 W N 2.684 123.902 121.300 -0.137 0.000 2.388 685 W HA 0.247 4.907 4.660 -0.000 0.000 0.308 685 W C -0.290 176.177 176.519 -0.088 0.000 1.263 685 W CA -0.659 56.553 57.345 -0.223 0.000 1.286 685 W CB 0.899 30.127 29.460 -0.386 0.000 1.294 685 W HN 0.215 nan 8.180 nan 0.000 0.493 686 V N 4.578 124.524 119.914 0.053 0.000 2.328 686 V HA 0.076 4.195 4.120 -0.000 0.000 0.278 686 V C 0.121 176.218 176.094 0.005 0.000 1.021 686 V CA -1.118 61.191 62.300 0.015 0.000 0.838 686 V CB 0.851 32.612 31.823 -0.103 0.000 0.999 686 V HN 0.427 nan 8.190 nan 0.000 0.447 687 N N 4.659 123.219 118.700 -0.233 0.000 2.416 687 N HA 0.172 4.912 4.740 -0.000 0.000 0.265 687 N C 0.636 176.003 175.510 -0.237 0.000 1.195 687 N CA -0.011 52.691 53.050 -0.580 0.000 0.943 687 N CB 0.631 38.666 38.487 -0.754 0.000 1.115 687 N HN 0.715 nan 8.380 nan 0.000 0.481 688 I N -0.231 120.197 120.570 -0.237 0.000 4.035 688 I HA 0.327 4.497 4.170 -0.000 0.000 0.321 688 I C 0.594 176.676 176.117 -0.059 0.000 1.289 688 I CA -0.229 60.992 61.300 -0.132 0.000 1.236 688 I CB 0.384 38.179 38.000 -0.342 0.000 1.076 688 I HN 0.360 nan 8.210 nan 0.000 0.418 689 T N 0.152 114.647 114.554 -0.099 0.000 2.957 689 T HA 0.345 4.695 4.350 -0.000 0.000 0.336 689 T C -2.080 172.607 174.700 -0.022 0.000 1.462 689 T CA -0.525 61.594 62.100 0.032 0.000 1.073 689 T CB 1.967 70.949 68.868 0.191 0.000 1.319 689 T HN 0.031 nan 8.240 nan 0.000 0.485 690 D N 2.540 122.957 120.400 0.027 0.000 2.256 690 D HA 0.667 5.307 4.640 -0.000 0.000 0.246 690 D C -0.256 176.062 176.300 0.029 0.000 1.042 690 D CA -0.214 53.808 54.000 0.037 0.000 0.841 690 D CB 1.994 42.849 40.800 0.091 0.000 1.223 690 D HN 0.332 nan 8.370 nan 0.000 0.470 691 Q N 0.444 120.235 119.800 -0.015 0.000 2.427 691 Q HA 0.647 4.987 4.340 -0.000 0.000 0.232 691 Q C -0.422 175.444 176.000 -0.224 0.000 1.018 691 Q CA -0.633 55.072 55.803 -0.163 0.000 0.965 691 Q CB 1.477 30.123 28.738 -0.152 0.000 1.232 691 Q HN 0.412 nan 8.270 nan 0.000 0.510 692 I N 0.749 121.100 120.570 -0.365 0.000 2.474 692 I HA 0.310 4.480 4.170 -0.000 0.000 0.294 692 I C -1.187 174.758 176.117 -0.286 0.000 1.005 692 I CA -1.034 59.953 61.300 -0.522 0.000 1.113 692 I CB 1.367 38.901 38.000 -0.777 0.000 1.289 692 I HN 0.515 nan 8.210 nan 0.000 0.436 693 Y N 5.839 125.949 120.300 -0.317 0.000 2.331 693 Y HA 0.196 4.746 4.550 -0.000 0.000 0.338 693 Y C 1.143 176.938 175.900 -0.175 0.000 0.976 693 Y CA -0.176 57.809 58.100 -0.191 0.000 1.137 693 Y CB 1.234 39.635 38.460 -0.098 0.000 1.172 693 Y HN 0.592 nan 8.280 nan 0.000 0.478 694 Q N 4.439 123.835 119.800 -0.673 0.000 2.020 694 Q HA -0.039 4.300 4.340 -0.000 0.000 0.202 694 Q C 1.482 177.172 176.000 -0.518 0.000 0.982 694 Q CA 2.416 57.914 55.803 -0.508 0.000 0.838 694 Q CB -0.377 28.111 28.738 -0.416 0.000 0.899 694 Q HN 1.267 nan 8.270 nan 0.000 0.423 695 G N -1.913 106.314 108.800 -0.956 0.000 2.194 695 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.236 695 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.236 695 G C 0.902 175.756 174.900 -0.076 0.000 0.987 695 G CA 0.720 45.572 45.100 -0.412 0.000 0.635 695 G HN 0.601 nan 8.290 nan 0.000 0.520 696 G N 0.354 109.083 108.800 -0.118 0.000 2.443 696 G HA2 0.375 4.335 3.960 -0.000 0.000 0.219 696 G HA3 0.375 4.335 3.960 -0.000 0.000 0.219 696 G C 0.905 175.932 174.900 0.212 0.000 1.131 696 G CA 1.391 46.516 45.100 0.042 0.000 0.775 696 G HN 1.551 nan 8.290 nan 0.000 0.547 697 I N -4.637 116.000 120.570 0.112 0.000 3.174 697 I HA 0.565 4.734 4.170 -0.000 0.000 0.313 697 I C 1.079 177.224 176.117 0.046 0.000 1.155 697 I CA -1.122 60.303 61.300 0.209 0.000 0.977 697 I CB 1.812 39.858 38.000 0.078 0.000 1.248 697 I HN -0.206 nan 8.210 nan 0.000 0.453 698 V N 2.416 122.302 119.914 -0.047 0.000 2.343 698 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 698 V C 1.083 177.108 176.094 -0.115 0.000 1.051 698 V CA 1.726 63.816 62.300 -0.350 0.000 1.036 698 V CB -0.893 30.756 31.823 -0.290 0.000 0.654 698 V HN 0.907 nan 8.190 nan 0.000 0.451 699 N N 0.265 118.906 118.700 -0.099 0.000 2.415 699 N HA 0.227 4.967 4.740 -0.000 0.000 0.248 699 N C -0.442 175.132 175.510 0.108 0.000 1.271 699 N CA 0.576 53.506 53.050 -0.201 0.000 0.913 699 N CB 0.679 38.731 38.487 -0.725 0.000 1.129 699 N HN 0.306 nan 8.380 nan 0.000 0.444 700 S N -0.906 114.896 115.700 0.171 0.000 2.538 700 S HA 0.565 5.034 4.470 -0.000 0.000 0.288 700 S C 0.679 175.501 174.600 0.370 0.000 1.108 700 S CA -0.838 57.563 58.200 0.334 0.000 0.971 700 S CB 1.202 64.575 63.200 0.288 0.000 1.041 700 S HN 0.649 nan 8.310 nan 0.000 0.483 701 G N 2.156 111.102 108.800 0.244 0.000 2.985 701 G HA2 0.212 4.172 3.960 -0.000 0.000 0.209 701 G HA3 0.212 4.172 3.960 -0.000 0.000 0.209 701 G C 0.563 175.429 174.900 -0.057 0.000 1.165 701 G CA 0.513 45.632 45.100 0.031 0.000 0.776 701 G HN 1.006 nan 8.290 nan 0.000 0.541 702 V N -0.264 119.675 119.914 0.041 0.000 2.686 702 V HA 0.668 4.788 4.120 -0.000 0.000 0.295 702 V C 0.983 177.161 176.094 0.141 0.000 1.055 702 V CA 0.727 63.061 62.300 0.058 0.000 1.050 702 V CB 0.745 32.607 31.823 0.066 0.000 0.984 702 V HN 1.304 nan 8.190 nan 0.000 0.482 703 G N 3.403 112.358 108.800 0.258 0.000 2.509 703 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.256 703 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.256 703 G C 0.524 175.581 174.900 0.262 0.000 1.152 703 G CA 0.659 45.969 45.100 0.349 0.000 0.951 703 G HN 2.529 nan 8.290 nan 0.000 0.559 704 V N -2.249 117.833 119.914 0.280 0.000 5.678 704 V HA 0.144 4.264 4.120 -0.000 0.000 0.205 704 V C 1.155 177.426 176.094 0.294 0.000 0.703 704 V CA 1.936 64.413 62.300 0.295 0.000 0.545 704 V CB -1.952 30.041 31.823 0.285 0.000 0.202 704 V HN 2.516 nan 8.190 nan 0.000 0.481 705 G N 0.285 109.298 108.800 0.354 0.000 2.890 705 G HA2 0.776 4.736 3.960 -0.000 0.000 0.189 705 G HA3 0.776 4.736 3.960 -0.000 0.000 0.189 705 G C -0.315 174.779 174.900 0.322 0.000 1.342 705 G CA -0.251 45.018 45.100 0.282 0.000 1.026 705 G HN 1.496 nan 8.290 nan 0.000 0.579 706 S N -2.593 113.283 115.700 0.294 0.000 2.547 706 S HA 0.590 5.060 4.470 -0.000 0.000 0.270 706 S C -1.645 173.127 174.600 0.287 0.000 1.150 706 S CA -0.435 57.924 58.200 0.266 0.000 0.850 706 S CB 1.836 65.148 63.200 0.186 0.000 1.118 706 S HN 0.653 nan 8.310 nan 0.000 0.461 707 V N 3.178 123.246 119.914 0.257 0.000 2.709 707 V HA 0.811 4.931 4.120 -0.000 0.000 0.308 707 V C -0.433 175.799 176.094 0.229 0.000 1.062 707 V CA -0.505 61.944 62.300 0.248 0.000 0.901 707 V CB 1.679 33.670 31.823 0.282 0.000 1.003 707 V HN 0.917 nan 8.190 nan 0.000 0.425 708 V N 2.615 122.684 119.914 0.257 0.000 3.130 708 V HA 0.855 4.975 4.120 -0.000 0.000 0.310 708 V C -0.966 175.336 176.094 0.348 0.000 1.158 708 V CA -0.819 61.641 62.300 0.266 0.000 1.029 708 V CB 2.187 34.127 31.823 0.194 0.000 1.057 708 V HN 0.477 nan 8.190 nan 0.000 0.436 709 V N 2.123 122.228 119.914 0.319 0.000 2.459 709 V HA 0.611 4.731 4.120 -0.000 0.000 0.295 709 V C -0.146 176.133 176.094 0.308 0.000 1.029 709 V CA -0.509 61.990 62.300 0.333 0.000 0.874 709 V CB 1.622 33.602 31.823 0.262 0.000 0.985 709 V HN 1.019 nan 8.190 nan 0.000 0.438 710 K N 3.853 124.489 120.400 0.393 0.000 2.471 710 K HA 0.369 4.689 4.320 -0.000 0.000 0.252 710 K C -0.382 176.385 176.600 0.279 0.000 0.938 710 K CA -0.440 56.017 56.287 0.284 0.000 0.796 710 K CB 1.385 34.001 32.500 0.193 0.000 1.161 710 K HN 0.847 nan 8.250 nan 0.000 0.425 711 D N 1.744 122.250 120.400 0.177 0.000 3.899 711 D HA -0.326 4.314 4.640 -0.000 0.000 0.146 711 D C 0.499 176.854 176.300 0.092 0.000 0.820 711 D CA 1.935 56.013 54.000 0.130 0.000 1.056 711 D CB -0.647 40.234 40.800 0.136 0.000 0.474 711 D HN 0.881 nan 8.370 nan 0.000 0.457 712 N N 0.807 119.522 118.700 0.024 0.000 2.273 712 N HA 0.046 4.786 4.740 -0.000 0.000 0.231 712 N C -0.713 174.537 175.510 -0.433 0.000 1.134 712 N CA 0.009 52.949 53.050 -0.184 0.000 0.856 712 N CB 0.075 38.403 38.487 -0.264 0.000 1.068 712 N HN 0.385 nan 8.380 nan 0.000 0.510 713 Y N 0.291 120.602 120.300 0.018 0.000 2.499 713 Y HA 0.551 5.101 4.550 -0.000 0.000 0.347 713 Y C -0.244 175.591 175.900 -0.109 0.000 0.987 713 Y CA -1.058 56.962 58.100 -0.132 0.000 1.044 713 Y CB 2.150 40.406 38.460 -0.339 0.000 1.245 713 Y HN -0.111 nan 8.280 nan 0.000 0.461 714 I N 2.517 123.078 120.570 -0.015 0.000 2.493 714 I HA 0.477 4.647 4.170 -0.000 0.000 0.298 714 I C -1.687 174.377 176.117 -0.089 0.000 0.998 714 I CA -0.866 60.493 61.300 0.099 0.000 1.137 714 I CB 1.193 39.329 38.000 0.227 0.000 1.310 714 I HN 0.582 nan 8.210 nan 0.000 0.445 715 Y N 6.414 126.789 120.300 0.126 0.000 2.350 715 Y HA 0.341 4.891 4.550 -0.000 0.000 0.338 715 Y C -1.080 174.826 175.900 0.010 0.000 0.961 715 Y CA -0.673 57.479 58.100 0.087 0.000 1.100 715 Y CB 1.529 40.057 38.460 0.113 0.000 1.179 715 Y HN 0.411 nan 8.280 nan 0.000 0.454 716 Y N 4.541 124.769 120.300 -0.121 0.000 2.402 716 Y HA 0.626 5.175 4.550 -0.000 0.000 0.332 716 Y C -1.340 174.658 175.900 0.162 0.000 0.960 716 Y CA -1.956 55.991 58.100 -0.255 0.000 1.228 716 Y CB 0.745 38.616 38.460 -0.981 0.000 1.120 716 Y HN 0.661 nan 8.280 nan 0.000 0.491 717 M N 8.833 128.424 119.600 -0.015 0.000 2.129 717 M HA 0.483 4.962 4.480 -0.000 0.000 0.348 717 M C -1.225 175.015 176.300 -0.099 0.000 1.116 717 M CA -0.266 55.004 55.300 -0.050 0.000 1.022 717 M CB 0.747 33.307 32.600 -0.068 0.000 1.599 717 M HN 0.589 nan 8.290 nan 0.000 0.449 718 F N -0.206 119.477 119.950 -0.444 0.000 2.741 718 F HA 0.942 5.468 4.527 -0.000 0.000 0.313 718 F C -0.194 175.489 175.800 -0.195 0.000 1.153 718 F CA -1.471 56.296 58.000 -0.389 0.000 0.931 718 F CB 0.747 39.318 39.000 -0.715 0.000 1.335 718 F HN 0.534 nan 8.300 nan 0.000 0.460 719 G N -0.493 108.205 108.800 -0.170 0.000 2.476 719 G HA2 0.583 4.543 3.960 -0.000 0.000 0.286 719 G HA3 0.583 4.543 3.960 -0.000 0.000 0.286 719 G C -0.717 174.039 174.900 -0.241 0.000 1.177 719 G CA -0.491 44.471 45.100 -0.231 0.000 0.870 719 G HN 1.308 nan 8.290 nan 0.000 0.528 720 G N -0.298 108.402 108.800 -0.167 0.000 2.742 720 G HA2 0.580 4.540 3.960 -0.000 0.000 0.296 720 G HA3 0.580 4.540 3.960 -0.000 0.000 0.296 720 G C -0.875 173.950 174.900 -0.124 0.000 1.436 720 G CA -0.646 44.298 45.100 -0.260 0.000 0.928 720 G HN 0.572 nan 8.290 nan 0.000 0.520 721 E N -0.568 119.504 120.200 -0.213 0.000 2.405 721 E HA 0.589 4.939 4.350 -0.000 0.000 0.249 721 E C -0.675 175.750 176.600 -0.292 0.000 1.028 721 E CA -0.691 55.564 56.400 -0.241 0.000 0.897 721 E CB 1.471 31.002 29.700 -0.281 0.000 1.262 721 E HN 0.663 nan 8.360 nan 0.000 0.442 722 D N -1.940 118.256 120.400 -0.339 0.000 2.758 722 D HA 0.186 4.826 4.640 -0.000 0.000 0.279 722 D C 0.274 176.237 176.300 -0.561 0.000 1.111 722 D CA -0.584 53.129 54.000 -0.477 0.000 1.109 722 D CB 0.294 40.860 40.800 -0.391 0.000 1.428 722 D HN 0.331 nan 8.370 nan 0.000 0.586 723 H N -1.090 117.691 119.070 -0.482 0.000 2.543 723 H HA 0.167 4.723 4.556 -0.000 0.000 0.269 723 H C -0.220 174.897 175.328 -0.352 0.000 1.005 723 H CA 0.038 55.844 56.048 -0.403 0.000 1.146 723 H CB -0.326 29.243 29.762 -0.322 0.000 1.353 723 H HN 0.195 nan 8.280 nan 0.000 0.595 724 F N 2.037 121.922 119.950 -0.108 0.000 2.466 724 F HA 0.066 4.593 4.527 -0.000 0.000 0.363 724 F C 1.248 176.816 175.800 -0.387 0.000 1.109 724 F CA -1.041 56.849 58.000 -0.183 0.000 1.161 724 F CB -0.103 38.820 39.000 -0.128 0.000 1.117 724 F HN -0.021 nan 8.300 nan 0.000 0.539 725 N N 6.183 124.611 118.700 -0.454 0.000 2.412 725 N HA -0.008 4.732 4.740 -0.000 0.000 0.258 725 N C -1.455 173.404 175.510 -1.086 0.000 1.236 725 N CA -1.052 51.452 53.050 -0.909 0.000 0.882 725 N CB 1.168 38.754 38.487 -1.501 0.000 1.066 725 N HN 0.213 nan 8.380 nan 0.000 0.465 726 P HA -0.039 nan 4.420 nan 0.000 0.233 726 P C -0.513 176.643 177.300 -0.241 0.000 1.167 726 P CA 0.604 63.470 63.100 -0.390 0.000 0.770 726 P CB -0.131 31.537 31.700 -0.054 0.000 0.837 727 W N -1.679 119.629 121.300 0.013 0.000 4.435 727 W HA -0.185 4.474 4.660 -0.000 0.000 0.351 727 W C 1.194 177.714 176.519 0.002 0.000 1.319 727 W CA 0.186 57.545 57.345 0.023 0.000 0.791 727 W CB -3.202 26.264 29.460 0.011 0.000 2.419 727 W HN -0.087 nan 8.180 nan 0.000 1.406 728 T N -1.189 113.414 114.554 0.081 0.000 2.720 728 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 728 T C 0.497 175.127 174.700 -0.117 0.000 1.037 728 T CA 1.505 63.553 62.100 -0.086 0.000 1.144 728 T CB -0.251 68.439 68.868 -0.297 0.000 0.864 728 T HN 0.214 nan 8.240 nan 0.000 0.444 729 Y N 1.062 121.482 120.300 0.201 0.000 2.676 729 Y HA 0.535 5.085 4.550 -0.000 0.000 0.338 729 Y C 0.981 177.022 175.900 0.235 0.000 1.057 729 Y CA -0.562 57.646 58.100 0.180 0.000 1.314 729 Y CB 0.668 39.222 38.460 0.158 0.000 1.164 729 Y HN 0.322 nan 8.280 nan 0.000 0.509 730 G N 1.803 110.785 108.800 0.304 0.000 2.403 730 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.223 730 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.223 730 G C -0.783 174.194 174.900 0.128 0.000 1.287 730 G CA -0.209 45.023 45.100 0.220 0.000 0.982 730 G HN 0.428 nan 8.290 nan 0.000 0.471 731 D N -0.442 119.992 120.400 0.057 0.000 2.328 731 D HA 0.081 4.720 4.640 -0.000 0.000 0.226 731 D C 0.689 177.033 176.300 0.073 0.000 1.066 731 D CA 0.416 54.429 54.000 0.022 0.000 0.861 731 D CB -0.007 40.752 40.800 -0.068 0.000 0.912 731 D HN 0.400 nan 8.370 nan 0.000 0.521 732 N N 0.254 119.038 118.700 0.139 0.000 2.571 732 N HA 0.004 4.744 4.740 -0.000 0.000 0.298 732 N C 0.765 176.343 175.510 0.114 0.000 1.671 732 N CA 0.114 53.243 53.050 0.131 0.000 0.900 732 N CB 0.506 39.091 38.487 0.164 0.000 1.365 732 N HN 0.097 nan 8.380 nan 0.000 0.493 733 S N -0.815 114.942 115.700 0.094 0.000 2.442 733 S HA -0.109 4.361 4.470 -0.000 0.000 0.236 733 S C 1.909 176.550 174.600 0.069 0.000 1.007 733 S CA 0.861 59.101 58.200 0.068 0.000 0.965 733 S CB -0.069 63.174 63.200 0.071 0.000 0.773 733 S HN 0.368 nan 8.310 nan 0.000 0.504 734 A N 1.509 124.377 122.820 0.079 0.000 2.172 734 A HA 0.163 4.483 4.320 -0.000 0.000 0.216 734 A C 1.199 178.849 177.584 0.109 0.000 1.154 734 A CA 0.855 52.941 52.037 0.082 0.000 0.701 734 A CB -0.695 18.352 19.000 0.079 0.000 0.789 734 A HN 0.602 nan 8.150 nan 0.000 0.465 735 K N -0.504 119.978 120.400 0.136 0.000 3.160 735 K HA -0.169 4.151 4.320 -0.000 0.000 0.280 735 K C -0.541 176.197 176.600 0.229 0.000 1.154 735 K CA 0.729 57.159 56.287 0.238 0.000 0.822 735 K CB -1.639 31.014 32.500 0.256 0.000 1.239 735 K HN 0.581 nan 8.250 nan 0.000 0.489 736 D N 0.580 121.044 120.400 0.108 0.000 2.502 736 D HA -0.010 4.630 4.640 -0.000 0.000 0.249 736 D C -1.364 174.866 176.300 -0.117 0.000 1.188 736 D CA -1.629 52.398 54.000 0.046 0.000 0.890 736 D CB 0.956 41.802 40.800 0.076 0.000 1.140 736 D HN 0.010 nan 8.370 nan 0.000 0.505 737 P HA -0.075 nan 4.420 nan 0.000 0.220 737 P C 0.540 177.426 177.300 -0.690 0.000 1.148 737 P CA 0.875 63.580 63.100 -0.657 0.000 0.803 737 P CB 0.062 31.033 31.700 -1.215 0.000 0.782 738 F N -0.966 118.939 119.950 -0.076 0.000 2.693 738 F HA 0.163 4.689 4.527 -0.000 0.000 0.303 738 F C 1.010 176.795 175.800 -0.025 0.000 1.097 738 F CA -0.155 57.814 58.000 -0.051 0.000 1.330 738 F CB -0.454 38.533 39.000 -0.022 0.000 1.067 738 F HN -0.316 nan 8.300 nan 0.000 0.565 739 K N 0.566 121.006 120.400 0.066 0.000 2.201 739 K HA 0.355 4.675 4.320 -0.000 0.000 0.278 739 K C 0.920 177.540 176.600 0.034 0.000 1.027 739 K CA 0.173 56.494 56.287 0.056 0.000 0.909 739 K CB 1.683 34.217 32.500 0.056 0.000 1.062 739 K HN 0.137 nan 8.250 nan 0.000 0.465 740 S N 2.130 117.857 115.700 0.045 0.000 3.938 740 S HA -0.240 4.230 4.470 -0.000 0.000 0.624 740 S C 0.490 175.080 174.600 -0.017 0.000 2.186 740 S CA 1.573 59.802 58.200 0.047 0.000 4.144 740 S CB -0.948 62.358 63.200 0.176 0.000 0.230 740 S HN 0.827 nan 8.310 nan 0.000 0.755 741 D N 2.979 123.352 120.400 -0.045 0.000 2.328 741 D HA 0.338 4.977 4.640 -0.000 0.000 0.226 741 D C 1.390 177.608 176.300 -0.136 0.000 1.066 741 D CA 1.163 55.081 54.000 -0.136 0.000 0.861 741 D CB -0.469 40.186 40.800 -0.241 0.000 0.912 741 D HN 0.984 nan 8.370 nan 0.000 0.521 742 G N 1.193 109.881 108.800 -0.187 0.000 2.581 742 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.291 742 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.291 742 G C -0.396 174.237 174.900 -0.444 0.000 1.277 742 G CA -0.120 44.764 45.100 -0.360 0.000 0.959 742 G HN 0.483 nan 8.290 nan 0.000 0.554 743 H N 2.031 121.037 119.070 -0.107 0.000 2.489 743 H HA 0.443 4.999 4.556 -0.000 0.000 0.322 743 H C -1.121 174.090 175.328 -0.194 0.000 1.091 743 H CA -1.211 54.756 56.048 -0.134 0.000 1.291 743 H CB 1.800 31.526 29.762 -0.060 0.000 1.436 743 H HN 0.310 nan 8.280 nan 0.000 0.480 744 P HA -0.101 nan 4.420 nan 0.000 0.223 744 P C 0.448 177.608 177.300 -0.234 0.000 1.151 744 P CA 0.578 63.574 63.100 -0.173 0.000 0.787 744 P CB 0.431 31.999 31.700 -0.220 0.000 0.788 745 S N 0.528 115.997 115.700 -0.385 0.000 2.505 745 S HA 0.203 4.673 4.470 -0.000 0.000 0.276 745 S C -0.209 174.233 174.600 -0.263 0.000 1.274 745 S CA -0.272 57.686 58.200 -0.402 0.000 1.053 745 S CB -0.097 62.646 63.200 -0.762 0.000 0.919 745 S HN -0.047 nan 8.310 nan 0.000 0.490 746 D N 2.427 122.696 120.400 -0.219 0.000 2.610 746 D HA 0.360 5.000 4.640 -0.000 0.000 0.271 746 D C -0.788 175.281 176.300 -0.385 0.000 1.174 746 D CA -0.533 53.287 54.000 -0.300 0.000 0.949 746 D CB 1.389 41.990 40.800 -0.332 0.000 1.430 746 D HN 0.414 nan 8.370 nan 0.000 0.467 747 L N 1.082 121.961 121.223 -0.574 0.000 2.357 747 L HA 0.412 4.752 4.340 -0.000 0.000 0.273 747 L C -0.854 175.523 176.870 -0.822 0.000 1.080 747 L CA -0.449 54.027 54.840 -0.606 0.000 0.803 747 L CB 0.430 42.088 42.059 -0.669 0.000 1.174 747 L HN 0.309 nan 8.230 nan 0.000 0.443 748 Y N 0.529 120.401 120.300 -0.713 0.000 2.602 748 Y HA 0.518 5.068 4.550 -0.000 0.000 0.342 748 Y C -0.243 175.373 175.900 -0.472 0.000 1.029 748 Y CA -0.851 56.868 58.100 -0.634 0.000 1.080 748 Y CB 2.016 39.996 38.460 -0.799 0.000 1.284 748 Y HN 0.476 nan 8.280 nan 0.000 0.485 749 C N 2.176 121.491 119.300 0.025 0.000 2.446 749 C HA 0.506 4.966 4.460 -0.000 0.000 0.329 749 C C -1.495 173.753 174.990 0.430 0.000 1.166 749 C CA -0.841 58.294 59.018 0.195 0.000 1.341 749 C CB -0.689 27.077 27.740 0.044 0.000 1.970 749 C HN 0.797 nan 8.230 nan 0.000 0.452 750 Y N 5.014 125.554 120.300 0.400 0.000 2.383 750 Y HA 0.451 5.001 4.550 -0.000 0.000 0.344 750 Y C 0.309 176.317 175.900 0.180 0.000 0.986 750 Y CA 0.224 58.518 58.100 0.322 0.000 1.175 750 Y CB 0.450 39.098 38.460 0.314 0.000 1.152 750 Y HN 0.740 nan 8.280 nan 0.000 0.511 751 K N 7.989 128.312 120.400 -0.128 0.000 2.263 751 K HA 0.401 4.721 4.320 -0.000 0.000 0.272 751 K C -1.244 175.272 176.600 -0.139 0.000 1.033 751 K CA -0.630 55.541 56.287 -0.193 0.000 0.884 751 K CB 0.669 33.057 32.500 -0.187 0.000 1.107 751 K HN 0.839 nan 8.250 nan 0.000 0.460 752 M N 4.417 124.051 119.600 0.056 0.000 2.311 752 M HA 0.282 4.762 4.480 -0.000 0.000 0.325 752 M C -0.900 175.507 176.300 0.177 0.000 1.061 752 M CA -0.820 54.595 55.300 0.192 0.000 0.957 752 M CB 1.365 34.136 32.600 0.284 0.000 1.646 752 M HN 0.525 nan 8.290 nan 0.000 0.434 753 K N 3.079 123.570 120.400 0.151 0.000 2.451 753 K HA 0.109 4.428 4.320 -0.000 0.000 0.280 753 K C -0.089 176.424 176.600 -0.144 0.000 1.020 753 K CA 0.279 56.473 56.287 -0.154 0.000 1.008 753 K CB 0.546 32.981 32.500 -0.108 0.000 0.917 753 K HN 0.710 nan 8.250 nan 0.000 0.478 754 I N 2.077 122.508 120.570 -0.231 0.000 4.655 754 I HA 0.312 4.482 4.170 -0.000 0.000 0.333 754 I C 0.267 176.313 176.117 -0.118 0.000 1.312 754 I CA 0.132 61.365 61.300 -0.111 0.000 1.270 754 I CB 0.911 38.881 38.000 -0.049 0.000 1.318 754 I HN 0.741 nan 8.210 nan 0.000 0.456 755 G N 0.089 108.777 108.800 -0.186 0.000 2.600 755 G HA2 0.556 4.516 3.960 -0.000 0.000 0.293 755 G HA3 0.556 4.516 3.960 -0.000 0.000 0.293 755 G C -3.146 171.657 174.900 -0.162 0.000 1.408 755 G CA -0.866 44.152 45.100 -0.137 0.000 0.782 755 G HN -0.277 nan 8.290 nan 0.000 0.482 756 P HA 0.235 nan 4.420 nan 0.000 0.268 756 P C -1.096 176.154 177.300 -0.082 0.000 1.205 756 P CA -0.030 63.022 63.100 -0.080 0.000 0.771 756 P CB 0.915 32.586 31.700 -0.047 0.000 0.858 757 D N 1.859 122.225 120.400 -0.055 0.000 2.441 757 D HA 0.148 4.788 4.640 -0.000 0.000 0.231 757 D C -0.129 176.177 176.300 0.009 0.000 1.073 757 D CA -0.262 53.730 54.000 -0.014 0.000 0.850 757 D CB -0.098 40.721 40.800 0.032 0.000 1.062 757 D HN 0.189 nan 8.370 nan 0.000 0.524 758 N N 2.161 120.868 118.700 0.012 0.000 2.313 758 N HA 0.110 4.850 4.740 -0.000 0.000 0.207 758 N C 0.144 175.667 175.510 0.022 0.000 1.141 758 N CA 0.015 53.072 53.050 0.013 0.000 0.830 758 N CB 0.674 39.167 38.487 0.009 0.000 1.008 758 N HN 0.069 nan 8.380 nan 0.000 0.481 759 R N 0.136 120.655 120.500 0.033 0.000 2.803 759 R HA 0.433 4.772 4.340 -0.000 0.000 0.276 759 R C -0.364 175.959 176.300 0.040 0.000 0.978 759 R CA -0.874 55.248 56.100 0.036 0.000 0.939 759 R CB 1.963 32.290 30.300 0.044 0.000 1.179 759 R HN -0.092 nan 8.270 nan 0.000 0.472 760 V N 1.217 121.152 119.914 0.034 0.000 3.287 760 V HA -0.074 4.046 4.120 -0.000 0.000 0.306 760 V C 0.859 176.978 176.094 0.042 0.000 1.103 760 V CA 0.407 62.727 62.300 0.034 0.000 1.159 760 V CB 1.506 33.347 31.823 0.029 0.000 1.036 760 V HN 0.772 nan 8.190 nan 0.000 0.487 761 S N 1.475 117.199 115.700 0.041 0.000 2.558 761 S HA 0.062 4.532 4.470 -0.000 0.000 0.293 761 S C 0.906 175.532 174.600 0.043 0.000 1.292 761 S CA -0.100 58.125 58.200 0.041 0.000 1.063 761 S CB 0.011 63.232 63.200 0.034 0.000 0.831 761 S HN 0.621 nan 8.310 nan 0.000 0.499 762 R N 1.801 122.321 120.500 0.034 0.000 2.362 762 R HA 0.287 4.627 4.340 -0.000 0.000 0.227 762 R C -0.453 175.873 176.300 0.043 0.000 0.905 762 R CA -0.104 56.026 56.100 0.051 0.000 1.067 762 R CB 0.117 30.437 30.300 0.034 0.000 1.078 762 R HN 0.515 nan 8.270 nan 0.000 0.516 763 D N 0.812 121.198 120.400 -0.023 0.000 2.414 763 D HA 0.124 4.764 4.640 -0.000 0.000 0.242 763 D C -0.141 176.157 176.300 -0.003 0.000 1.129 763 D CA 0.480 54.403 54.000 -0.128 0.000 0.885 763 D CB 0.512 41.254 40.800 -0.097 0.000 1.198 763 D HN 0.006 nan 8.370 nan 0.000 0.437 764 F N -1.356 118.622 119.950 0.047 0.000 2.629 764 F HA 0.537 5.064 4.527 -0.000 0.000 0.316 764 F C -0.081 175.762 175.800 0.072 0.000 1.081 764 F CA -1.452 56.576 58.000 0.046 0.000 0.954 764 F CB 1.343 40.365 39.000 0.037 0.000 1.337 764 F HN -0.043 nan 8.300 nan 0.000 0.474 765 R N 1.465 122.163 120.500 0.329 0.000 2.297 765 R HA 0.265 4.605 4.340 -0.000 0.000 0.308 765 R C -1.675 174.869 176.300 0.408 0.000 1.029 765 R CA -0.727 55.538 56.100 0.275 0.000 0.929 765 R CB 0.923 31.312 30.300 0.149 0.000 1.046 765 R HN 0.933 nan 8.270 nan 0.000 0.461 766 Y N 2.480 122.955 120.300 0.292 0.000 2.436 766 Y HA 0.252 4.801 4.550 -0.000 0.000 0.343 766 Y C 0.714 176.680 175.900 0.110 0.000 1.008 766 Y CA 0.563 58.806 58.100 0.238 0.000 1.241 766 Y CB 1.189 39.793 38.460 0.240 0.000 1.153 766 Y HN 0.812 nan 8.280 nan 0.000 0.521 767 G N 4.265 112.926 108.800 -0.232 0.000 3.695 767 G HA2 0.440 4.400 3.960 -0.000 0.000 0.277 767 G HA3 0.440 4.400 3.960 -0.000 0.000 0.277 767 G C -0.173 174.565 174.900 -0.269 0.000 1.001 767 G CA 0.248 45.257 45.100 -0.153 0.000 0.837 767 G HN 0.836 nan 8.290 nan 0.000 0.492 768 A N -0.079 122.381 122.820 -0.601 0.000 2.279 768 A HA 0.700 5.019 4.320 -0.000 0.000 0.303 768 A C -0.024 177.447 177.584 -0.187 0.000 1.108 768 A CA -0.361 51.411 52.037 -0.442 0.000 0.830 768 A CB 1.263 19.898 19.000 -0.608 0.000 1.106 768 A HN 0.264 nan 8.150 nan 0.000 0.493 769 V N 2.874 122.737 119.914 -0.085 0.000 2.470 769 V HA 0.192 4.312 4.120 -0.000 0.000 0.276 769 V C -1.977 174.144 176.094 0.044 0.000 1.040 769 V CA -0.764 61.536 62.300 0.001 0.000 1.008 769 V CB 0.607 32.419 31.823 -0.020 0.000 0.990 769 V HN 0.738 nan 8.190 nan 0.000 0.477 770 P HA 0.174 nan 4.420 nan 0.000 0.270 770 P C 0.039 177.364 177.300 0.042 0.000 1.242 770 P CA 0.271 63.467 63.100 0.160 0.000 0.768 770 P CB 0.160 31.944 31.700 0.139 0.000 0.820 771 N N 2.412 121.121 118.700 0.016 0.000 2.466 771 N HA 0.089 4.829 4.740 -0.000 0.000 0.272 771 N C 0.679 176.170 175.510 -0.031 0.000 1.455 771 N CA -0.273 52.738 53.050 -0.064 0.000 0.875 771 N CB 0.281 38.674 38.487 -0.157 0.000 1.372 771 N HN 0.061 nan 8.380 nan 0.000 0.492 772 R N 0.089 120.588 120.500 -0.000 0.000 2.123 772 R HA 0.271 4.611 4.340 -0.000 0.000 0.209 772 R C 1.992 178.283 176.300 -0.015 0.000 1.078 772 R CA 0.595 56.697 56.100 0.004 0.000 1.028 772 R CB -0.878 29.427 30.300 0.008 0.000 0.939 772 R HN 0.156 nan 8.270 nan 0.000 0.463 773 A N 0.975 123.782 122.820 -0.023 0.000 1.855 773 A HA -0.004 4.316 4.320 -0.000 0.000 0.215 773 A C 0.816 178.368 177.584 -0.053 0.000 1.191 773 A CA 1.167 53.178 52.037 -0.042 0.000 0.613 773 A CB 0.040 19.018 19.000 -0.037 0.000 0.829 773 A HN 0.043 nan 8.150 nan 0.000 0.442 774 V N 0.895 120.782 119.914 -0.045 0.000 2.320 774 V HA 0.271 4.391 4.120 -0.000 0.000 0.268 774 V C -2.921 173.136 176.094 -0.063 0.000 1.021 774 V CA -1.646 60.629 62.300 -0.042 0.000 0.813 774 V CB 0.824 32.630 31.823 -0.028 0.000 1.054 774 V HN 0.174 nan 8.190 nan 0.000 0.444 775 P HA 0.148 nan 4.420 nan 0.000 0.265 775 P C -0.407 176.751 177.300 -0.237 0.000 1.222 775 P CA 0.433 63.470 63.100 -0.104 0.000 0.767 775 P CB 0.755 32.550 31.700 0.159 0.000 0.801 776 V N 5.667 125.240 119.914 -0.568 0.000 2.495 776 V HA 0.521 4.641 4.120 -0.000 0.000 0.298 776 V C -0.323 175.247 176.094 -0.873 0.000 1.031 776 V CA -0.318 61.692 62.300 -0.484 0.000 0.871 776 V CB 1.022 32.672 31.823 -0.288 0.000 0.988 776 V HN 0.311 nan 8.190 nan 0.000 0.432 777 F N 3.283 123.199 119.950 -0.056 0.000 2.561 777 F HA 0.571 5.098 4.527 -0.000 0.000 0.313 777 F C -0.402 175.378 175.800 -0.033 0.000 1.126 777 F CA -0.698 57.310 58.000 0.013 0.000 0.918 777 F CB 1.589 40.599 39.000 0.018 0.000 1.199 777 F HN 0.275 nan 8.300 nan 0.000 0.444 778 F N 2.984 123.012 119.950 0.131 0.000 2.471 778 F HA 0.161 4.688 4.527 -0.000 0.000 0.365 778 F C 0.850 176.704 175.800 0.091 0.000 1.095 778 F CA -0.624 57.425 58.000 0.080 0.000 1.174 778 F CB 0.136 39.161 39.000 0.042 0.000 1.105 778 F HN 0.461 nan 8.300 nan 0.000 0.535 779 D N 0.480 120.981 120.400 0.170 0.000 2.384 779 D HA -0.021 4.619 4.640 -0.000 0.000 0.244 779 D C 1.285 177.654 176.300 0.116 0.000 1.251 779 D CA -0.080 53.989 54.000 0.115 0.000 0.961 779 D CB 0.167 41.003 40.800 0.059 0.000 1.116 779 D HN 0.545 nan 8.370 nan 0.000 0.484 780 T N -2.473 112.124 114.554 0.073 0.000 3.025 780 T HA -0.192 4.158 4.350 -0.000 0.000 0.270 780 T C 1.244 175.978 174.700 0.057 0.000 1.126 780 T CA 1.190 63.325 62.100 0.058 0.000 1.105 780 T CB -0.468 68.420 68.868 0.035 0.000 0.884 780 T HN 0.457 nan 8.240 nan 0.000 0.522 781 N N 0.750 119.487 118.700 0.062 0.000 2.336 781 N HA 0.240 4.979 4.740 -0.000 0.000 0.189 781 N C 1.378 176.938 175.510 0.084 0.000 1.113 781 N CA 0.702 53.785 53.050 0.055 0.000 0.858 781 N CB -0.278 38.232 38.487 0.037 0.000 0.970 781 N HN 0.557 nan 8.380 nan 0.000 0.471 782 G N -0.648 108.236 108.800 0.138 0.000 2.143 782 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.249 782 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.249 782 G C -0.378 174.697 174.900 0.292 0.000 0.981 782 G CA 0.492 45.729 45.100 0.229 0.000 0.665 782 G HN 0.200 nan 8.290 nan 0.000 0.528 783 V N 0.649 120.642 119.914 0.132 0.000 2.435 783 V HA 0.489 4.609 4.120 -0.000 0.000 0.290 783 V C 1.110 177.069 176.094 -0.225 0.000 1.030 783 V CA -1.069 61.220 62.300 -0.019 0.000 0.881 783 V CB 1.546 33.358 31.823 -0.018 0.000 0.983 783 V HN 0.389 nan 8.190 nan 0.000 0.445 784 R N 2.405 122.600 120.500 -0.509 0.000 2.504 784 R HA 0.259 4.598 4.340 -0.000 0.000 0.291 784 R C -0.186 175.959 176.300 -0.258 0.000 0.974 784 R CA 0.484 56.204 56.100 -0.633 0.000 1.077 784 R CB 0.113 30.080 30.300 -0.554 0.000 0.926 784 R HN 0.776 nan 8.270 nan 0.000 0.407 785 T N 2.489 116.956 114.554 -0.146 0.000 2.841 785 T HA 0.278 4.628 4.350 -0.000 0.000 0.285 785 T C -0.660 174.090 174.700 0.084 0.000 0.991 785 T CA -0.680 61.416 62.100 -0.007 0.000 0.966 785 T CB 1.740 70.629 68.868 0.036 0.000 0.962 785 T HN 0.152 nan 8.240 nan 0.000 0.438 786 V N 6.164 126.115 119.914 0.062 0.000 2.311 786 V HA 0.278 4.397 4.120 -0.000 0.000 0.275 786 V C -1.516 174.639 176.094 0.101 0.000 1.022 786 V CA -1.338 61.020 62.300 0.097 0.000 0.830 786 V CB 1.060 32.919 31.823 0.060 0.000 1.012 786 V HN 0.755 nan 8.190 nan 0.000 0.452 787 P HA 0.215 nan 4.420 nan 0.000 0.239 787 P C 0.536 177.865 177.300 0.048 0.000 1.188 787 P CA 0.173 63.311 63.100 0.064 0.000 0.794 787 P CB 0.398 32.110 31.700 0.021 0.000 0.937 788 A N 2.228 125.087 122.820 0.065 0.000 2.440 788 A HA 0.419 4.739 4.320 -0.000 0.000 0.251 788 A C -1.897 175.699 177.584 0.019 0.000 1.089 788 A CA -1.007 51.049 52.037 0.032 0.000 0.779 788 A CB -0.793 18.223 19.000 0.026 0.000 1.022 788 A HN 0.075 nan 8.150 nan 0.000 0.492 789 P HA 0.317 nan 4.420 nan 0.000 0.269 789 P C -0.652 176.637 177.300 -0.018 0.000 1.209 789 P CA 0.402 63.503 63.100 0.003 0.000 0.776 789 P CB 0.602 32.298 31.700 -0.006 0.000 0.876 790 M N 1.132 120.729 119.600 -0.005 0.000 2.520 790 M HA 0.298 4.778 4.480 -0.000 0.000 0.283 790 M C -0.533 175.732 176.300 -0.059 0.000 1.237 790 M CA -0.704 54.551 55.300 -0.076 0.000 0.885 790 M CB 2.997 35.535 32.600 -0.105 0.000 1.727 790 M HN 0.186 nan 8.290 nan 0.000 0.468 791 E N 1.911 122.003 120.200 -0.179 0.000 2.158 791 E HA 0.465 4.815 4.350 -0.000 0.000 0.271 791 E C -1.631 174.805 176.600 -0.273 0.000 0.911 791 E CA -0.191 56.144 56.400 -0.109 0.000 0.767 791 E CB 1.669 31.326 29.700 -0.070 0.000 1.120 791 E HN 0.404 nan 8.360 nan 0.000 0.405 792 F N 1.210 121.147 119.950 -0.022 0.000 2.361 792 F HA 0.139 4.666 4.527 -0.000 0.000 0.364 792 F C 1.653 177.445 175.800 -0.013 0.000 1.117 792 F CA -0.402 57.580 58.000 -0.030 0.000 1.071 792 F CB 1.477 40.456 39.000 -0.035 0.000 1.188 792 F HN 0.338 nan 8.300 nan 0.000 0.464 793 T N -0.814 113.803 114.554 0.104 0.000 3.014 793 T HA 0.257 4.607 4.350 -0.000 0.000 0.250 793 T C 1.007 175.759 174.700 0.086 0.000 1.060 793 T CA 0.130 62.289 62.100 0.099 0.000 1.040 793 T CB -0.070 68.860 68.868 0.104 0.000 0.971 793 T HN 0.557 nan 8.240 nan 0.000 0.497 794 G N 1.147 109.984 108.800 0.062 0.000 2.572 794 G HA2 0.439 4.399 3.960 -0.000 0.000 0.261 794 G HA3 0.439 4.399 3.960 -0.000 0.000 0.261 794 G C -0.910 174.020 174.900 0.050 0.000 1.197 794 G CA -0.640 44.479 45.100 0.031 0.000 0.870 794 G HN 0.231 nan 8.290 nan 0.000 0.548 795 D N -0.408 120.014 120.400 0.037 0.000 2.455 795 D HA 0.196 4.836 4.640 -0.000 0.000 0.241 795 D C -0.074 176.230 176.300 0.006 0.000 1.138 795 D CA 0.175 54.191 54.000 0.027 0.000 0.877 795 D CB 1.455 42.272 40.800 0.028 0.000 1.187 795 D HN -0.098 nan 8.370 nan 0.000 0.451 796 L N 1.699 122.913 121.223 -0.015 0.000 2.322 796 L HA 0.507 4.847 4.340 -0.000 0.000 0.281 796 L C 0.579 177.414 176.870 -0.058 0.000 1.014 796 L CA -0.615 54.188 54.840 -0.062 0.000 0.815 796 L CB 1.692 43.680 42.059 -0.117 0.000 1.247 796 L HN 0.386 nan 8.230 nan 0.000 0.421 797 G N 5.193 113.955 108.800 -0.063 0.000 2.370 797 G HA2 0.622 4.582 3.960 -0.000 0.000 0.317 797 G HA3 0.622 4.582 3.960 -0.000 0.000 0.317 797 G C -0.899 173.955 174.900 -0.076 0.000 1.162 797 G CA -0.389 44.678 45.100 -0.056 0.000 0.922 797 G HN 0.456 nan 8.290 nan 0.000 0.454 798 L N 2.165 123.342 121.223 -0.077 0.000 2.330 798 L HA 0.708 5.048 4.340 -0.000 0.000 0.271 798 L C 1.175 178.009 176.870 -0.060 0.000 1.013 798 L CA -1.028 53.763 54.840 -0.083 0.000 0.816 798 L CB 1.957 43.957 42.059 -0.099 0.000 1.287 798 L HN 0.625 nan 8.230 nan 0.000 0.435 799 G N -1.074 107.701 108.800 -0.043 0.000 3.137 799 G HA2 0.058 4.018 3.960 -0.000 0.000 0.163 799 G HA3 0.058 4.018 3.960 -0.000 0.000 0.163 799 G C -0.199 174.697 174.900 -0.007 0.000 1.602 799 G CA -0.249 44.844 45.100 -0.013 0.000 1.067 799 G HN 0.624 nan 8.290 nan 0.000 0.568 800 H N -0.309 118.733 119.070 -0.047 0.000 2.928 800 H HA 0.314 4.870 4.556 -0.000 0.000 0.338 800 H C -0.929 174.371 175.328 -0.048 0.000 1.047 800 H CA 0.386 56.407 56.048 -0.045 0.000 1.435 800 H CB 0.642 30.381 29.762 -0.038 0.000 1.428 800 H HN -0.026 nan 8.280 nan 0.000 0.590 801 V N 5.153 124.845 119.914 -0.369 0.000 2.638 801 V HA 0.184 4.304 4.120 -0.000 0.000 0.306 801 V C -0.221 175.791 176.094 -0.137 0.000 1.052 801 V CA -0.724 61.487 62.300 -0.148 0.000 0.885 801 V CB 2.212 33.947 31.823 -0.147 0.000 0.999 801 V HN 0.857 nan 8.190 nan 0.000 0.424 802 T N 5.837 120.397 114.554 0.011 0.000 2.792 802 T HA 0.558 4.908 4.350 -0.000 0.000 0.280 802 T C -0.376 174.325 174.700 0.001 0.000 0.990 802 T CA -0.370 61.746 62.100 0.026 0.000 0.960 802 T CB 1.081 70.001 68.868 0.086 0.000 0.939 802 T HN 0.310 nan 8.240 nan 0.000 0.439 803 I N 4.099 124.664 120.570 -0.008 0.000 2.301 803 I HA 0.304 4.473 4.170 -0.000 0.000 0.292 803 I C 0.911 177.030 176.117 0.004 0.000 1.046 803 I CA -0.456 60.841 61.300 -0.005 0.000 1.282 803 I CB 0.186 38.181 38.000 -0.009 0.000 1.409 803 I HN 0.432 nan 8.210 nan 0.000 0.484 804 R N 3.768 124.271 120.500 0.006 0.000 2.543 804 R HA 0.606 4.946 4.340 -0.000 0.000 0.268 804 R C 0.089 176.393 176.300 0.007 0.000 1.067 804 R CA -0.775 55.330 56.100 0.008 0.000 1.142 804 R CB 0.974 31.279 30.300 0.008 0.000 1.110 804 R HN 0.684 nan 8.270 nan 0.000 0.549 805 A N 0.954 123.778 122.820 0.007 0.000 2.548 805 A HA 0.068 4.388 4.320 -0.000 0.000 0.247 805 A C 0.861 178.449 177.584 0.005 0.000 1.067 805 A CA 0.564 52.605 52.037 0.006 0.000 0.757 805 A CB -0.037 18.966 19.000 0.005 0.000 0.996 805 A HN 0.878 nan 8.150 nan 0.000 0.504 806 S N 0.483 116.187 115.700 0.006 0.000 2.615 806 S HA 0.201 4.670 4.470 -0.000 0.000 0.277 806 S C 0.284 174.887 174.600 0.006 0.000 1.068 806 S CA 0.502 58.705 58.200 0.006 0.000 1.315 806 S CB 0.145 63.349 63.200 0.007 0.000 1.193 806 S HN 0.701 nan 8.310 nan 0.000 0.656 807 T N 2.095 116.653 114.554 0.006 0.000 2.876 807 T HA 0.697 5.047 4.350 -0.000 0.000 0.289 807 T C -0.481 174.223 174.700 0.006 0.000 1.014 807 T CA 0.206 62.310 62.100 0.007 0.000 0.986 807 T CB 1.461 70.334 68.868 0.008 0.000 1.021 807 T HN 0.786 nan 8.240 nan 0.000 0.458 808 S N 2.670 118.374 115.700 0.006 0.000 3.681 808 S HA -0.205 4.265 4.470 -0.000 0.000 0.473 808 S C 0.612 175.214 174.600 0.004 0.000 0.830 808 S CA 0.609 58.812 58.200 0.005 0.000 1.355 808 S CB -1.903 61.300 63.200 0.006 0.000 0.892 808 S HN 1.468 nan 8.310 nan 0.000 0.649 809 S N 1.673 117.375 115.700 0.004 0.000 3.521 809 S HA -0.236 4.234 4.470 -0.000 0.000 0.362 809 S C 0.495 175.097 174.600 0.002 0.000 1.044 809 S CA 1.048 59.249 58.200 0.003 0.000 1.091 809 S CB -1.699 61.502 63.200 0.002 0.000 0.908 809 S HN 1.391 nan 8.310 nan 0.000 0.473 810 N N -1.419 117.283 118.700 0.003 0.000 2.710 810 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 810 N C 0.465 175.977 175.510 0.003 0.000 1.059 810 N CA 1.116 54.168 53.050 0.003 0.000 0.720 810 N CB -1.472 37.016 38.487 0.002 0.000 0.983 810 N HN 0.763 nan 8.380 nan 0.000 0.544 811 I N -0.598 119.974 120.570 0.004 0.000 2.761 811 I HA -0.121 4.048 4.170 -0.000 0.000 0.261 811 I C 1.169 177.288 176.117 0.004 0.000 1.198 811 I CA 0.780 62.082 61.300 0.004 0.000 1.482 811 I CB 0.243 38.245 38.000 0.003 0.000 1.100 811 I HN 0.282 nan 8.210 nan 0.000 0.445 812 R N -0.266 120.237 120.500 0.005 0.000 2.808 812 R HA 0.495 4.835 4.340 -0.000 0.000 0.272 812 R C -0.750 175.554 176.300 0.007 0.000 0.995 812 R CA -0.698 55.406 56.100 0.006 0.000 0.917 812 R CB 1.239 31.543 30.300 0.007 0.000 1.217 812 R HN -0.038 nan 8.270 nan 0.000 0.471 813 S N 0.173 115.878 115.700 0.008 0.000 2.585 813 S HA 0.382 4.852 4.470 -0.000 0.000 0.277 813 S C -0.454 174.151 174.600 0.009 0.000 1.241 813 S CA -0.791 57.413 58.200 0.008 0.000 1.041 813 S CB 1.465 64.669 63.200 0.007 0.000 0.987 813 S HN 0.742 nan 8.310 nan 0.000 0.512 814 E N 1.013 121.218 120.200 0.009 0.000 2.290 814 E HA 0.559 4.909 4.350 -0.000 0.000 0.274 814 E C -1.998 174.608 176.600 0.011 0.000 0.889 814 E CA -0.767 55.639 56.400 0.011 0.000 0.760 814 E CB 1.826 31.533 29.700 0.011 0.000 1.206 814 E HN 0.526 nan 8.360 nan 0.000 0.419 815 V N 4.827 124.749 119.914 0.012 0.000 2.531 815 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 815 V C -0.953 175.151 176.094 0.017 0.000 1.034 815 V CA -0.813 61.495 62.300 0.013 0.000 0.865 815 V CB 1.474 33.303 31.823 0.010 0.000 0.995 815 V HN 0.602 nan 8.190 nan 0.000 0.424 816 L N 5.662 126.897 121.223 0.019 0.000 2.329 816 L HA 0.636 4.976 4.340 -0.000 0.000 0.279 816 L C -0.096 176.789 176.870 0.024 0.000 1.014 816 L CA -0.310 54.544 54.840 0.022 0.000 0.814 816 L CB 1.751 43.824 42.059 0.022 0.000 1.257 816 L HN 0.559 nan 8.230 nan 0.000 0.424 817 M N 3.043 122.660 119.600 0.028 0.000 2.205 817 M HA 0.405 4.885 4.480 -0.000 0.000 0.344 817 M C 0.111 176.428 176.300 0.029 0.000 1.085 817 M CA -0.393 54.925 55.300 0.029 0.000 1.001 817 M CB 1.804 34.426 32.600 0.037 0.000 1.626 817 M HN 0.565 nan 8.290 nan 0.000 0.442 818 E N 1.086 121.298 120.200 0.020 0.000 3.262 818 E HA 0.753 5.103 4.350 -0.000 0.000 0.257 818 E C 0.388 176.990 176.600 0.003 0.000 1.195 818 E CA -0.288 56.124 56.400 0.019 0.000 1.160 818 E CB 0.952 30.665 29.700 0.021 0.000 1.416 818 E HN 0.859 nan 8.360 nan 0.000 0.630 819 G N 0.733 109.535 108.800 0.003 0.000 2.741 819 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.222 819 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.222 819 G C 0.490 175.398 174.900 0.013 0.000 1.364 819 G CA 0.343 45.433 45.100 -0.017 0.000 0.866 819 G HN 0.666 nan 8.290 nan 0.000 0.555 820 E N -1.078 119.136 120.200 0.023 0.000 2.072 820 E HA 0.077 4.427 4.350 -0.000 0.000 0.190 820 E C 0.920 177.651 176.600 0.218 0.000 0.982 820 E CA 1.640 58.114 56.400 0.124 0.000 0.803 820 E CB 0.005 29.817 29.700 0.187 0.000 0.755 820 E HN 0.870 nan 8.360 nan 0.000 0.453 821 Y N -2.563 117.771 120.300 0.056 0.000 2.615 821 Y HA 0.694 5.243 4.550 -0.000 0.000 0.341 821 Y C -0.256 175.698 175.900 0.091 0.000 1.089 821 Y CA -1.025 57.116 58.100 0.070 0.000 1.049 821 Y CB 0.930 39.433 38.460 0.072 0.000 1.296 821 Y HN -0.131 nan 8.280 nan 0.000 0.470 822 G N 0.859 109.761 108.800 0.171 0.000 2.417 822 G HA2 0.569 4.529 3.960 -0.000 0.000 0.334 822 G HA3 0.569 4.529 3.960 -0.000 0.000 0.334 822 G C -2.387 172.695 174.900 0.304 0.000 1.150 822 G CA -0.858 44.308 45.100 0.110 0.000 0.923 822 G HN 0.820 nan 8.290 nan 0.000 0.485 823 F N 1.628 121.619 119.950 0.068 0.000 2.562 823 F HA 0.661 5.187 4.527 -0.000 0.000 0.319 823 F C -1.002 174.850 175.800 0.088 0.000 1.154 823 F CA -1.087 56.992 58.000 0.132 0.000 0.931 823 F CB 1.568 40.665 39.000 0.161 0.000 1.198 823 F HN 0.257 nan 8.300 nan 0.000 0.444 824 I N 6.362 126.604 120.570 -0.546 0.000 2.382 824 I HA 0.575 4.745 4.170 -0.000 0.000 0.285 824 I C 0.225 175.862 176.117 -0.801 0.000 1.007 824 I CA -0.315 60.693 61.300 -0.487 0.000 1.142 824 I CB 1.197 39.127 38.000 -0.117 0.000 1.289 824 I HN 0.770 nan 8.210 nan 0.000 0.453 825 G N 4.490 112.781 108.800 -0.849 0.000 3.105 825 G HA2 0.688 4.648 3.960 -0.000 0.000 0.277 825 G HA3 0.688 4.648 3.960 -0.000 0.000 0.277 825 G C -1.512 173.281 174.900 -0.178 0.000 1.375 825 G CA -0.534 44.233 45.100 -0.556 0.000 0.962 825 G HN 0.354 nan 8.290 nan 0.000 0.541 826 K N 0.272 120.647 120.400 -0.041 0.000 2.545 826 K HA 0.519 4.839 4.320 -0.000 0.000 0.252 826 K C 0.345 176.954 176.600 0.015 0.000 0.948 826 K CA -0.389 55.876 56.287 -0.037 0.000 0.827 826 K CB 1.302 33.766 32.500 -0.059 0.000 1.128 826 K HN 0.764 nan 8.250 nan 0.000 0.429 827 S N 3.796 119.500 115.700 0.006 0.000 2.580 827 S HA 0.241 4.711 4.470 -0.000 0.000 0.266 827 S C 0.551 175.158 174.600 0.012 0.000 1.354 827 S CA -0.532 57.681 58.200 0.021 0.000 1.008 827 S CB 0.094 63.299 63.200 0.009 0.000 0.898 827 S HN 0.566 nan 8.310 nan 0.000 0.555 828 I N 2.631 123.212 120.570 0.019 0.000 2.452 828 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 828 I C -1.975 174.143 176.117 0.001 0.000 1.079 828 I CA -1.926 59.381 61.300 0.011 0.000 1.387 828 I CB 0.215 38.225 38.000 0.017 0.000 1.404 828 I HN 0.506 nan 8.210 nan 0.000 0.522 829 P HA 0.034 nan 4.420 nan 0.000 0.266 829 P C 0.560 177.856 177.300 -0.007 0.000 1.195 829 P CA 0.039 63.131 63.100 -0.013 0.000 0.768 829 P CB 0.626 32.314 31.700 -0.020 0.000 0.838 830 T N 0.180 114.730 114.554 -0.008 0.000 2.770 830 T HA -0.084 4.266 4.350 -0.000 0.000 0.263 830 T C 1.011 175.708 174.700 -0.005 0.000 1.039 830 T CA 1.437 63.534 62.100 -0.005 0.000 1.142 830 T CB -0.315 68.549 68.868 -0.006 0.000 0.868 830 T HN 0.436 nan 8.240 nan 0.000 0.435 831 D N 0.586 120.981 120.400 -0.008 0.000 2.259 831 D HA 0.061 4.700 4.640 -0.000 0.000 0.216 831 D C 1.075 177.372 176.300 -0.006 0.000 0.961 831 D CA 0.696 54.692 54.000 -0.007 0.000 0.878 831 D CB -0.005 40.790 40.800 -0.008 0.000 1.009 831 D HN 0.332 nan 8.370 nan 0.000 0.490 832 N N 0.600 119.294 118.700 -0.009 0.000 2.765 832 N HA 0.104 4.843 4.740 -0.000 0.000 0.277 832 N C -2.092 173.414 175.510 -0.007 0.000 1.750 832 N CA -1.344 51.701 53.050 -0.007 0.000 0.827 832 N CB 1.433 39.913 38.487 -0.010 0.000 1.200 832 N HN -0.186 nan 8.380 nan 0.000 0.494 833 P HA -0.116 nan 4.420 nan 0.000 0.223 833 P C 1.042 178.345 177.300 0.006 0.000 1.144 833 P CA 0.748 63.848 63.100 0.000 0.000 0.783 833 P CB 0.237 31.941 31.700 0.006 0.000 0.771 834 A N 0.145 122.971 122.820 0.009 0.000 2.172 834 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 834 A C 2.316 179.912 177.584 0.020 0.000 1.154 834 A CA 1.441 53.490 52.037 0.020 0.000 0.701 834 A CB -1.407 17.605 19.000 0.020 0.000 0.789 834 A HN 0.330 nan 8.150 nan 0.000 0.465 835 G N -1.201 107.596 108.800 -0.004 0.000 3.088 835 G HA2 0.145 4.105 3.960 -0.000 0.000 0.217 835 G HA3 0.145 4.105 3.960 -0.000 0.000 0.217 835 G C 0.627 175.482 174.900 -0.075 0.000 1.159 835 G CA 0.218 45.299 45.100 -0.032 0.000 0.760 835 G HN 0.617 nan 8.290 nan 0.000 0.550 836 Q N 1.337 121.108 119.800 -0.048 0.000 2.320 836 Q HA 0.129 4.468 4.340 -0.000 0.000 0.311 836 Q C 0.320 176.247 176.000 -0.123 0.000 1.083 836 Q CA 0.377 56.142 55.803 -0.063 0.000 1.001 836 Q CB 0.134 28.861 28.738 -0.018 0.000 1.074 836 Q HN 0.599 nan 8.270 nan 0.000 0.379 837 R N 2.885 123.282 120.500 -0.172 0.000 2.828 837 R HA 0.423 4.763 4.340 -0.000 0.000 0.280 837 R C -1.784 174.370 176.300 -0.243 0.000 1.020 837 R CA -0.859 55.087 56.100 -0.257 0.000 0.855 837 R CB 0.589 30.563 30.300 -0.543 0.000 1.278 837 R HN 0.521 nan 8.270 nan 0.000 0.495 838 I N 1.904 122.316 120.570 -0.263 0.000 2.509 838 I HA 0.435 4.605 4.170 -0.000 0.000 0.293 838 I C -0.274 175.584 176.117 -0.431 0.000 1.020 838 I CA -1.201 59.868 61.300 -0.385 0.000 1.088 838 I CB 2.182 39.863 38.000 -0.531 0.000 1.267 838 I HN 0.424 nan 8.210 nan 0.000 0.430 839 I N 5.733 126.043 120.570 -0.432 0.000 2.321 839 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 839 I C -0.821 175.036 176.117 -0.434 0.000 0.998 839 I CA -0.327 60.790 61.300 -0.305 0.000 1.227 839 I CB 0.711 38.603 38.000 -0.179 0.000 1.368 839 I HN 0.290 nan 8.210 nan 0.000 0.466 840 F N 5.702 125.626 119.950 -0.043 0.000 2.408 840 F HA 0.471 4.998 4.527 -0.000 0.000 0.344 840 F C 0.296 176.089 175.800 -0.011 0.000 1.112 840 F CA -0.480 57.504 58.000 -0.028 0.000 1.096 840 F CB 1.323 40.313 39.000 -0.018 0.000 1.129 840 F HN 0.379 nan 8.300 nan 0.000 0.486 841 C N 2.229 121.608 119.300 0.132 0.000 2.686 841 C HA 0.645 5.104 4.460 -0.000 0.000 0.318 841 C C 1.130 176.160 174.990 0.067 0.000 1.160 841 C CA -0.404 58.662 59.018 0.081 0.000 1.396 841 C CB 0.800 28.560 27.740 0.032 0.000 1.924 841 C HN 1.021 nan 8.230 nan 0.000 0.471 842 G N 2.764 111.599 108.800 0.057 0.000 2.920 842 G HA2 0.453 4.413 3.960 -0.000 0.000 0.208 842 G HA3 0.453 4.413 3.960 -0.000 0.000 0.208 842 G C 0.593 175.509 174.900 0.026 0.000 1.159 842 G CA 0.790 45.914 45.100 0.039 0.000 0.784 842 G HN 1.227 nan 8.290 nan 0.000 0.535 843 G N -0.433 108.382 108.800 0.025 0.000 3.105 843 G HA2 0.471 4.431 3.960 -0.000 0.000 0.277 843 G HA3 0.471 4.431 3.960 -0.000 0.000 0.277 843 G C 0.470 175.379 174.900 0.015 0.000 1.375 843 G CA 0.128 45.239 45.100 0.017 0.000 0.962 843 G HN 0.164 nan 8.290 nan 0.000 0.541 844 E N -1.389 118.819 120.200 0.012 0.000 2.442 844 E HA 0.312 4.661 4.350 -0.000 0.000 0.195 844 E C 0.890 177.496 176.600 0.011 0.000 1.030 844 E CA 0.324 56.732 56.400 0.013 0.000 0.869 844 E CB 0.371 30.078 29.700 0.013 0.000 0.857 844 E HN 0.540 nan 8.360 nan 0.000 0.505 845 G N 0.172 108.976 108.800 0.007 0.000 2.733 845 G HA2 0.275 4.235 3.960 -0.000 0.000 0.288 845 G HA3 0.275 4.235 3.960 -0.000 0.000 0.288 845 G C 0.513 175.411 174.900 -0.003 0.000 1.373 845 G CA 0.001 45.103 45.100 0.003 0.000 0.895 845 G HN 0.038 nan 8.290 nan 0.000 0.479 846 T N -2.423 112.125 114.554 -0.010 0.000 2.995 846 T HA 0.050 4.400 4.350 -0.000 0.000 0.269 846 T C 1.531 176.227 174.700 -0.006 0.000 1.091 846 T CA 1.126 63.215 62.100 -0.018 0.000 1.128 846 T CB -0.099 68.752 68.868 -0.028 0.000 0.891 846 T HN 0.635 nan 8.240 nan 0.000 0.492 847 S N 1.901 117.602 115.700 0.002 0.000 2.510 847 S HA 0.226 4.696 4.470 -0.000 0.000 0.279 847 S C 1.558 176.168 174.600 0.017 0.000 1.284 847 S CA -0.109 58.097 58.200 0.010 0.000 1.059 847 S CB 0.507 63.713 63.200 0.010 0.000 0.901 847 S HN 0.569 nan 8.310 nan 0.000 0.491 848 S N 3.692 119.408 115.700 0.026 0.000 2.500 848 S HA -0.103 4.367 4.470 -0.000 0.000 0.239 848 S C 1.661 176.279 174.600 0.029 0.000 0.989 848 S CA 1.336 59.557 58.200 0.036 0.000 0.951 848 S CB -0.798 62.433 63.200 0.051 0.000 0.759 848 S HN 0.770 nan 8.310 nan 0.000 0.523 849 T N 2.670 117.238 114.554 0.022 0.000 2.803 849 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 849 T C 2.091 176.799 174.700 0.014 0.000 1.052 849 T CA 1.919 64.030 62.100 0.017 0.000 1.136 849 T CB -0.741 68.135 68.868 0.014 0.000 0.864 849 T HN 0.908 nan 8.240 nan 0.000 0.467 850 T N -1.732 112.830 114.554 0.015 0.000 3.081 850 T HA 0.475 4.825 4.350 -0.000 0.000 0.255 850 T C 0.840 175.549 174.700 0.014 0.000 1.113 850 T CA 0.475 62.583 62.100 0.012 0.000 1.082 850 T CB 0.311 69.185 68.868 0.011 0.000 0.939 850 T HN 0.479 nan 8.240 nan 0.000 0.506 851 G N 0.095 108.906 108.800 0.019 0.000 2.325 851 G HA2 0.514 4.474 3.960 -0.000 0.000 0.297 851 G HA3 0.514 4.474 3.960 -0.000 0.000 0.297 851 G C -0.917 174.001 174.900 0.031 0.000 1.448 851 G CA -0.591 44.521 45.100 0.020 0.000 0.838 851 G HN 0.524 nan 8.290 nan 0.000 0.579 852 A N -0.267 122.571 122.820 0.029 0.000 2.561 852 A HA 0.543 4.863 4.320 -0.000 0.000 0.234 852 A C 0.425 178.057 177.584 0.081 0.000 1.055 852 A CA 0.720 52.785 52.037 0.047 0.000 0.756 852 A CB 0.089 19.106 19.000 0.028 0.000 0.986 852 A HN 0.703 nan 8.150 nan 0.000 0.505 853 Q N 0.301 120.171 119.800 0.117 0.000 2.389 853 Q HA 0.662 5.002 4.340 -0.000 0.000 0.277 853 Q C -1.535 174.567 176.000 0.170 0.000 1.082 853 Q CA -0.468 55.415 55.803 0.132 0.000 0.810 853 Q CB 2.529 31.327 28.738 0.100 0.000 1.374 853 Q HN 0.695 nan 8.270 nan 0.000 0.422 854 I N 1.017 121.698 120.570 0.184 0.000 2.465 854 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 854 I C -0.677 175.556 176.117 0.193 0.000 1.014 854 I CA -0.392 60.988 61.300 0.133 0.000 1.093 854 I CB 2.361 40.413 38.000 0.087 0.000 1.267 854 I HN 0.456 nan 8.210 nan 0.000 0.431 855 T N 7.074 121.689 114.554 0.102 0.000 2.791 855 T HA 0.528 4.877 4.350 -0.000 0.000 0.288 855 T C -0.263 174.523 174.700 0.144 0.000 0.999 855 T CA -0.476 61.679 62.100 0.091 0.000 0.952 855 T CB 0.618 69.530 68.868 0.073 0.000 0.938 855 T HN 0.249 nan 8.240 nan 0.000 0.444 856 L N 4.076 125.378 121.223 0.132 0.000 2.264 856 L HA 0.467 4.807 4.340 -0.000 0.000 0.289 856 L C -0.514 176.414 176.870 0.096 0.000 1.044 856 L CA -0.956 53.981 54.840 0.162 0.000 0.807 856 L CB 0.337 42.509 42.059 0.188 0.000 1.192 856 L HN 0.621 nan 8.230 nan 0.000 0.425 857 Y N 1.256 121.553 120.300 -0.004 0.000 2.304 857 Y HA 0.385 4.934 4.550 -0.000 0.000 0.328 857 Y C 1.245 177.150 175.900 0.009 0.000 1.123 857 Y CA -0.413 57.684 58.100 -0.005 0.000 1.218 857 Y CB 1.564 40.018 38.460 -0.010 0.000 1.207 857 Y HN 0.667 nan 8.280 nan 0.000 0.495 858 G N 0.721 109.580 108.800 0.099 0.000 2.634 858 G HA2 0.297 4.257 3.960 -0.000 0.000 0.255 858 G HA3 0.297 4.257 3.960 -0.000 0.000 0.255 858 G C 0.808 175.762 174.900 0.091 0.000 1.205 858 G CA -0.065 45.083 45.100 0.079 0.000 0.884 858 G HN 0.881 nan 8.290 nan 0.000 0.549 859 A N 0.521 123.383 122.820 0.070 0.000 1.972 859 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 859 A C 2.084 179.698 177.584 0.050 0.000 1.169 859 A CA 1.767 53.838 52.037 0.057 0.000 0.635 859 A CB -0.407 18.619 19.000 0.045 0.000 0.810 859 A HN 0.670 nan 8.150 nan 0.000 0.446 860 N N 0.219 118.947 118.700 0.047 0.000 2.494 860 N HA -0.036 4.704 4.740 -0.000 0.000 0.182 860 N C 0.620 176.157 175.510 0.045 0.000 1.076 860 N CA 0.033 53.105 53.050 0.038 0.000 0.908 860 N CB -0.110 38.394 38.487 0.028 0.000 0.967 860 N HN 0.452 nan 8.380 nan 0.000 0.449 861 N N 0.571 119.313 118.700 0.069 0.000 2.479 861 N HA -0.016 4.724 4.740 -0.000 0.000 0.257 861 N C 0.711 176.276 175.510 0.090 0.000 1.232 861 N CA 0.424 53.534 53.050 0.099 0.000 0.920 861 N CB 0.798 39.402 38.487 0.196 0.000 1.105 861 N HN -0.001 nan 8.380 nan 0.000 0.444 862 T N 1.171 115.774 114.554 0.083 0.000 2.620 862 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 862 T C -0.015 174.715 174.700 0.049 0.000 1.044 862 T CA 1.312 63.448 62.100 0.059 0.000 1.161 862 T CB -0.208 68.695 68.868 0.058 0.000 0.862 862 T HN 0.540 nan 8.240 nan 0.000 0.438 863 D N 2.357 122.799 120.400 0.070 0.000 2.558 863 D HA 0.217 4.857 4.640 -0.000 0.000 0.221 863 D C -0.277 176.026 176.300 0.005 0.000 1.143 863 D CA 0.094 54.080 54.000 -0.023 0.000 1.010 863 D CB 0.256 40.947 40.800 -0.181 0.000 1.068 863 D HN 0.121 nan 8.370 nan 0.000 0.511 864 S N 1.501 117.212 115.700 0.018 0.000 2.546 864 S HA -0.056 4.414 4.470 -0.000 0.000 0.290 864 S C 0.985 175.603 174.600 0.029 0.000 1.262 864 S CA 0.008 58.232 58.200 0.040 0.000 1.083 864 S CB 0.050 63.265 63.200 0.024 0.000 0.859 864 S HN 0.472 nan 8.310 nan 0.000 0.495 865 R N 0.614 121.158 120.500 0.074 0.000 3.758 865 R HA -0.192 4.147 4.340 -0.000 0.000 0.299 865 R C 0.273 176.588 176.300 0.025 0.000 1.182 865 R CA 0.961 57.100 56.100 0.066 0.000 0.809 865 R CB -1.582 28.740 30.300 0.037 0.000 1.249 865 R HN 0.763 nan 8.270 nan 0.000 0.497 866 R N 1.499 121.972 120.500 -0.045 0.000 2.594 866 R HA 0.368 4.707 4.340 -0.000 0.000 0.272 866 R C -0.161 176.075 176.300 -0.107 0.000 1.074 866 R CA -0.015 55.957 56.100 -0.213 0.000 1.105 866 R CB 0.580 30.527 30.300 -0.587 0.000 1.008 866 R HN 0.169 nan 8.270 nan 0.000 0.472 867 I N 3.969 124.472 120.570 -0.111 0.000 2.465 867 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 867 I C -0.790 175.204 176.117 -0.205 0.000 1.014 867 I CA -1.184 60.031 61.300 -0.142 0.000 1.093 867 I CB 2.227 40.070 38.000 -0.261 0.000 1.267 867 I HN 0.350 nan 8.210 nan 0.000 0.431 868 V N 6.827 126.649 119.914 -0.152 0.000 2.409 868 V HA 0.353 4.472 4.120 -0.000 0.000 0.291 868 V C -1.013 175.018 176.094 -0.105 0.000 1.020 868 V CA -0.567 61.702 62.300 -0.052 0.000 0.848 868 V CB 1.302 33.178 31.823 0.089 0.000 0.990 868 V HN 0.426 nan 8.190 nan 0.000 0.430 869 Y N 3.460 123.813 120.300 0.087 0.000 2.331 869 Y HA 0.450 5.000 4.550 -0.000 0.000 0.338 869 Y C 0.470 176.489 175.900 0.199 0.000 0.976 869 Y CA -0.384 57.785 58.100 0.113 0.000 1.137 869 Y CB 1.045 39.510 38.460 0.008 0.000 1.172 869 Y HN 0.624 nan 8.280 nan 0.000 0.478 870 N N 2.547 121.493 118.700 0.410 0.000 2.531 870 N HA 0.639 5.379 4.740 -0.000 0.000 0.268 870 N C -0.785 174.874 175.510 0.249 0.000 1.023 870 N CA -0.281 52.971 53.050 0.338 0.000 0.896 870 N CB 0.852 39.455 38.487 0.194 0.000 1.233 870 N HN 0.910 nan 8.380 nan 0.000 0.512 871 G N 1.154 110.031 108.800 0.128 0.000 2.708 871 G HA2 0.163 4.123 3.960 -0.000 0.000 0.289 871 G HA3 0.163 4.123 3.960 -0.000 0.000 0.289 871 G C -0.448 174.328 174.900 -0.207 0.000 1.416 871 G CA -0.385 44.630 45.100 -0.142 0.000 0.829 871 G HN 0.447 nan 8.290 nan 0.000 0.480 872 D N -0.198 120.106 120.400 -0.160 0.000 2.348 872 D HA 0.136 4.776 4.640 -0.000 0.000 0.211 872 D C 0.278 176.485 176.300 -0.153 0.000 0.998 872 D CA 0.907 54.840 54.000 -0.111 0.000 0.873 872 D CB 0.679 41.446 40.800 -0.056 0.000 0.925 872 D HN 0.537 nan 8.370 nan 0.000 0.524 873 E N -0.075 119.964 120.200 -0.268 0.000 2.304 873 E HA 0.252 4.602 4.350 -0.000 0.000 0.277 873 E C -0.823 175.538 176.600 -0.398 0.000 0.898 873 E CA -0.635 55.627 56.400 -0.230 0.000 0.764 873 E CB 1.930 31.558 29.700 -0.120 0.000 1.216 873 E HN 0.061 nan 8.360 nan 0.000 0.419 874 H N 3.051 122.115 119.070 -0.010 0.000 2.673 874 H HA 0.345 4.901 4.556 -0.000 0.000 0.293 874 H C -0.729 174.532 175.328 -0.112 0.000 1.065 874 H CA -0.417 55.586 56.048 -0.074 0.000 1.236 874 H CB 0.605 30.392 29.762 0.041 0.000 1.389 874 H HN 0.308 nan 8.280 nan 0.000 0.481 875 L N 4.095 125.214 121.223 -0.174 0.000 2.319 875 L HA 0.348 4.688 4.340 -0.000 0.000 0.281 875 L C -0.515 176.174 176.870 -0.301 0.000 1.005 875 L CA -0.649 54.112 54.840 -0.132 0.000 0.828 875 L CB 1.087 43.093 42.059 -0.088 0.000 1.227 875 L HN 0.335 nan 8.230 nan 0.000 0.415 876 F N 2.326 122.275 119.950 -0.002 0.000 2.350 876 F HA 0.343 4.870 4.527 -0.000 0.000 0.365 876 F C 0.583 176.376 175.800 -0.012 0.000 1.122 876 F CA -0.121 57.872 58.000 -0.012 0.000 1.139 876 F CB 1.217 40.200 39.000 -0.029 0.000 1.220 876 F HN 0.493 nan 8.300 nan 0.000 0.499 877 Q N 1.651 121.500 119.800 0.082 0.000 2.245 877 Q HA 0.366 4.706 4.340 -0.000 0.000 0.256 877 Q C 0.585 176.623 176.000 0.063 0.000 0.942 877 Q CA -0.023 55.810 55.803 0.049 0.000 0.896 877 Q CB 1.420 30.160 28.738 0.003 0.000 1.272 877 Q HN 0.867 nan 8.270 nan 0.000 0.442 878 S N -0.555 115.172 115.700 0.044 0.000 2.361 878 S HA -0.258 4.211 4.470 -0.000 0.000 0.247 878 S C -0.354 174.266 174.600 0.034 0.000 1.218 878 S CA 1.106 59.326 58.200 0.033 0.000 1.502 878 S CB -1.337 61.879 63.200 0.027 0.000 1.893 878 S HN 0.934 nan 8.310 nan 0.000 0.610 879 A N 0.447 123.296 122.820 0.048 0.000 2.594 879 A HA 0.642 4.962 4.320 -0.000 0.000 0.291 879 A C -1.333 176.265 177.584 0.023 0.000 1.105 879 A CA -0.688 51.367 52.037 0.030 0.000 0.694 879 A CB 0.844 19.860 19.000 0.028 0.000 1.291 879 A HN 0.088 nan 8.150 nan 0.000 0.410 880 D N 0.309 120.705 120.400 -0.007 0.000 2.400 880 D HA 0.312 4.952 4.640 -0.000 0.000 0.238 880 D C -0.117 176.138 176.300 -0.075 0.000 1.157 880 D CA 0.258 54.236 54.000 -0.036 0.000 0.889 880 D CB 0.916 41.691 40.800 -0.043 0.000 1.199 880 D HN 0.154 nan 8.370 nan 0.000 0.436 881 V N 2.688 122.518 119.914 -0.139 0.000 2.368 881 V HA 0.175 4.295 4.120 -0.000 0.000 0.266 881 V C 0.467 176.453 176.094 -0.179 0.000 1.045 881 V CA -0.017 62.127 62.300 -0.259 0.000 0.899 881 V CB 0.068 31.640 31.823 -0.418 0.000 1.006 881 V HN 0.310 nan 8.190 nan 0.000 0.470 882 K N 5.237 125.553 120.400 -0.141 0.000 2.477 882 K HA 0.634 4.954 4.320 -0.000 0.000 0.255 882 K C -2.622 173.944 176.600 -0.056 0.000 0.952 882 K CA -1.673 54.561 56.287 -0.088 0.000 0.826 882 K CB 2.210 34.666 32.500 -0.073 0.000 1.331 882 K HN 0.424 nan 8.250 nan 0.000 0.437 883 P HA 0.067 nan 4.420 nan 0.000 0.279 883 P C 0.100 177.431 177.300 0.052 0.000 1.239 883 P CA -0.299 62.815 63.100 0.022 0.000 0.789 883 P CB 0.522 32.233 31.700 0.018 0.000 0.933 884 Y N 2.977 123.268 120.300 -0.015 0.000 2.114 884 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 884 Y C 0.668 176.564 175.900 -0.008 0.000 1.165 884 Y CA 1.815 59.910 58.100 -0.008 0.000 1.148 884 Y CB 0.001 38.462 38.460 0.001 0.000 0.972 884 Y HN 0.474 nan 8.280 nan 0.000 0.504 885 N N -0.615 118.196 118.700 0.186 0.000 2.518 885 N HA 0.187 4.927 4.740 -0.000 0.000 0.284 885 N C -1.717 173.816 175.510 0.038 0.000 1.230 885 N CA -0.699 52.414 53.050 0.106 0.000 0.941 885 N CB 0.825 39.401 38.487 0.149 0.000 1.219 885 N HN -0.044 nan 8.380 nan 0.000 0.560 886 D N 0.263 120.676 120.400 0.021 0.000 2.317 886 D HA 0.248 4.887 4.640 -0.000 0.000 0.234 886 D C -0.665 175.641 176.300 0.010 0.000 1.112 886 D CA -0.006 53.997 54.000 0.004 0.000 0.840 886 D CB 0.082 40.878 40.800 -0.007 0.000 1.078 886 D HN 0.445 nan 8.370 nan 0.000 0.486 887 N N 3.058 121.762 118.700 0.007 0.000 2.756 887 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 887 N C -0.317 175.201 175.510 0.013 0.000 1.062 887 N CA 0.685 53.740 53.050 0.007 0.000 0.696 887 N CB -0.965 37.524 38.487 0.003 0.000 0.946 887 N HN 0.292 nan 8.380 nan 0.000 0.548 888 V N -1.603 118.322 119.914 0.019 0.000 3.058 888 V HA 0.210 4.330 4.120 -0.000 0.000 0.233 888 V C 1.052 177.159 176.094 0.022 0.000 1.255 888 V CA 1.563 63.877 62.300 0.024 0.000 1.267 888 V CB 0.790 32.636 31.823 0.038 0.000 1.049 888 V HN 0.590 nan 8.190 nan 0.000 0.486 889 T N -1.107 113.462 114.554 0.025 0.000 2.942 889 T HA 0.865 5.215 4.350 -0.000 0.000 0.289 889 T C -0.407 174.305 174.700 0.020 0.000 1.044 889 T CA -0.078 62.036 62.100 0.023 0.000 1.023 889 T CB 2.363 71.248 68.868 0.029 0.000 1.123 889 T HN 0.395 nan 8.240 nan 0.000 0.512 890 A N 1.025 123.859 122.820 0.023 0.000 2.309 890 A HA 0.814 5.134 4.320 -0.000 0.000 0.317 890 A C -0.627 176.987 177.584 0.049 0.000 1.134 890 A CA -1.127 50.928 52.037 0.029 0.000 0.866 890 A CB 0.803 19.819 19.000 0.027 0.000 1.329 890 A HN 0.879 nan 8.150 nan 0.000 0.477 891 L N 1.561 122.826 121.223 0.070 0.000 2.265 891 L HA 0.554 4.894 4.340 -0.000 0.000 0.288 891 L C 1.003 177.988 176.870 0.193 0.000 1.058 891 L CA 0.839 55.772 54.840 0.155 0.000 0.809 891 L CB 0.608 42.742 42.059 0.126 0.000 1.179 891 L HN 1.348 nan 8.230 nan 0.000 0.429 892 G N 2.708 111.613 108.800 0.175 0.000 2.741 892 G HA2 0.137 4.097 3.960 -0.000 0.000 0.222 892 G HA3 0.137 4.097 3.960 -0.000 0.000 0.222 892 G C -0.258 174.626 174.900 -0.027 0.000 1.364 892 G CA -0.456 44.632 45.100 -0.020 0.000 0.866 892 G HN 1.083 nan 8.290 nan 0.000 0.555 893 G N -2.484 106.280 108.800 -0.061 0.000 2.608 893 G HA2 0.756 4.716 3.960 -0.000 0.000 0.291 893 G HA3 0.756 4.716 3.960 -0.000 0.000 0.291 893 G C -1.997 172.878 174.900 -0.042 0.000 1.425 893 G CA 0.374 45.450 45.100 -0.039 0.000 0.787 893 G HN 0.620 nan 8.290 nan 0.000 0.484 894 P HA 0.032 nan 4.420 nan 0.000 0.219 894 P C 1.506 178.786 177.300 -0.034 0.000 1.146 894 P CA 1.299 64.384 63.100 -0.025 0.000 0.808 894 P CB 0.440 32.129 31.700 -0.018 0.000 0.779 895 S N -1.886 113.789 115.700 -0.043 0.000 2.539 895 S HA 0.151 4.620 4.470 -0.000 0.000 0.221 895 S C 0.293 174.851 174.600 -0.069 0.000 0.987 895 S CA -0.138 58.034 58.200 -0.046 0.000 0.929 895 S CB -0.527 62.650 63.200 -0.039 0.000 0.832 895 S HN 0.137 nan 8.310 nan 0.000 0.492 896 N N 1.878 120.520 118.700 -0.098 0.000 2.733 896 N HA 0.221 4.961 4.740 -0.000 0.000 0.271 896 N C -1.062 174.310 175.510 -0.230 0.000 1.720 896 N CA -0.351 52.601 53.050 -0.165 0.000 0.803 896 N CB 0.823 39.202 38.487 -0.180 0.000 1.208 896 N HN 0.111 nan 8.380 nan 0.000 0.498 897 R N 0.458 120.861 120.500 -0.162 0.000 2.390 897 R HA 0.311 4.651 4.340 -0.000 0.000 0.291 897 R C -0.394 175.798 176.300 -0.179 0.000 1.070 897 R CA -0.331 55.695 56.100 -0.125 0.000 1.014 897 R CB 0.757 31.036 30.300 -0.034 0.000 1.007 897 R HN 0.178 nan 8.270 nan 0.000 0.466 898 F N 0.745 120.696 119.950 0.003 0.000 2.429 898 F HA -0.024 4.503 4.527 -0.000 0.000 0.348 898 F C 2.239 178.041 175.800 0.003 0.000 1.109 898 F CA 0.140 58.146 58.000 0.010 0.000 1.232 898 F CB 1.019 40.024 39.000 0.009 0.000 1.157 898 F HN 0.655 nan 8.300 nan 0.000 0.564 899 T N -1.980 112.704 114.554 0.217 0.000 2.803 899 T HA -0.073 4.277 4.350 -0.000 0.000 0.269 899 T C 0.717 175.452 174.700 0.059 0.000 1.052 899 T CA 1.565 63.731 62.100 0.110 0.000 1.136 899 T CB -0.184 68.743 68.868 0.099 0.000 0.864 899 T HN 0.700 nan 8.240 nan 0.000 0.467 900 T N -0.778 113.811 114.554 0.058 0.000 2.663 900 T HA 0.539 4.889 4.350 -0.000 0.000 0.305 900 T C -2.364 172.282 174.700 -0.089 0.000 1.660 900 T CA -0.303 61.757 62.100 -0.067 0.000 0.976 900 T CB 0.927 69.663 68.868 -0.220 0.000 1.705 900 T HN 0.711 nan 8.240 nan 0.000 0.494 901 A N 1.610 124.335 122.820 -0.159 0.000 2.343 901 A HA 0.725 5.045 4.320 -0.000 0.000 0.308 901 A C -1.656 175.826 177.584 -0.169 0.000 1.092 901 A CA -0.474 51.485 52.037 -0.131 0.000 0.751 901 A CB 0.614 19.552 19.000 -0.103 0.000 1.203 901 A HN 0.717 nan 8.150 nan 0.000 0.452 902 Y N 3.005 123.277 120.300 -0.046 0.000 2.556 902 Y HA 0.452 5.002 4.550 -0.000 0.000 0.352 902 Y C 0.153 176.032 175.900 -0.035 0.000 1.006 902 Y CA 0.340 58.422 58.100 -0.030 0.000 1.277 902 Y CB 0.398 38.844 38.460 -0.022 0.000 1.136 902 Y HN 0.488 nan 8.280 nan 0.000 0.523 903 L N 1.082 122.350 121.223 0.075 0.000 2.323 903 L HA 0.578 4.918 4.340 -0.000 0.000 0.265 903 L C 1.190 178.082 176.870 0.037 0.000 1.012 903 L CA -0.827 54.033 54.840 0.035 0.000 0.820 903 L CB 1.976 44.033 42.059 -0.003 0.000 1.334 903 L HN 0.664 nan 8.230 nan 0.000 0.427 904 G N -0.028 108.786 108.800 0.023 0.000 2.939 904 G HA2 0.215 4.174 3.960 -0.000 0.000 0.210 904 G HA3 0.215 4.174 3.960 -0.000 0.000 0.210 904 G C 0.205 175.110 174.900 0.009 0.000 1.160 904 G CA 0.455 45.566 45.100 0.018 0.000 0.770 904 G HN 0.596 nan 8.290 nan 0.000 0.543 905 S N -0.845 114.857 115.700 0.003 0.000 2.587 905 S HA 0.337 4.807 4.470 -0.000 0.000 0.269 905 S C -1.157 173.439 174.600 -0.008 0.000 1.154 905 S CA -1.122 57.077 58.200 -0.002 0.000 0.824 905 S CB 1.117 64.315 63.200 -0.003 0.000 1.118 905 S HN 0.031 nan 8.310 nan 0.000 0.462 906 N N 1.786 120.480 118.700 -0.010 0.000 2.441 906 N HA 0.276 5.016 4.740 -0.000 0.000 0.251 906 N C -2.506 172.996 175.510 -0.015 0.000 1.242 906 N CA -0.488 52.554 53.050 -0.013 0.000 0.898 906 N CB -0.467 38.013 38.487 -0.012 0.000 1.100 906 N HN 0.441 nan 8.380 nan 0.000 0.443 907 P HA 0.060 nan 4.420 nan 0.000 0.265 907 P C -0.201 177.090 177.300 -0.015 0.000 1.187 907 P CA 0.315 63.404 63.100 -0.019 0.000 0.766 907 P CB 0.441 32.130 31.700 -0.020 0.000 0.820 908 I N 2.777 123.337 120.570 -0.016 0.000 2.282 908 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 908 I C 0.350 176.459 176.117 -0.013 0.000 1.090 908 I CA -0.661 60.631 61.300 -0.014 0.000 1.231 908 I CB 0.658 38.649 38.000 -0.014 0.000 1.434 908 I HN 0.086 nan 8.210 nan 0.000 0.487 909 V N 4.853 124.760 119.914 -0.011 0.000 2.407 909 V HA 0.659 4.779 4.120 -0.000 0.000 0.278 909 V C -0.180 175.908 176.094 -0.008 0.000 1.037 909 V CA 0.534 62.828 62.300 -0.010 0.000 0.900 909 V CB 1.543 33.361 31.823 -0.008 0.000 0.983 909 V HN 0.718 nan 8.190 nan 0.000 0.459 910 T N 0.000 114.549 114.554 -0.008 0.000 3.816 910 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 910 T CB 0.000 68.862 68.868 -0.009 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658