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 1v0e_1_E 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 0.000 174.657 174.600 0.095 0.000 1.055 245 S CA 0.000 58.241 58.200 0.069 0.000 1.107 245 S CB 0.000 63.240 63.200 0.066 0.000 0.593 246 A N 1.822 124.725 122.820 0.138 0.000 2.511 246 A HA 0.452 4.777 4.320 0.010 0.000 0.242 246 A C 1.179 178.878 177.584 0.192 0.000 1.069 246 A CA -0.209 51.955 52.037 0.211 0.000 0.763 246 A CB 0.071 19.277 19.000 0.343 0.000 1.001 246 A HN 0.754 nan 8.150 nan 0.000 0.498 247 K N 2.033 122.514 120.400 0.137 0.000 2.116 247 K HA 0.025 4.351 4.320 0.010 0.000 0.203 247 K C 1.304 177.887 176.600 -0.028 0.000 1.052 247 K CA 0.946 57.265 56.287 0.054 0.000 0.952 247 K CB -0.396 32.122 32.500 0.030 0.000 0.729 247 K HN 1.603 nan 8.250 nan 0.000 0.446 248 G N 4.121 112.844 108.800 -0.129 0.000 2.371 248 G HA2 -0.229 3.737 3.960 0.010 0.000 0.299 248 G HA3 -0.229 3.737 3.960 0.010 0.000 0.299 248 G C -0.002 174.673 174.900 -0.376 0.000 1.014 248 G CA 0.908 45.618 45.100 -0.651 0.000 1.097 248 G HN 0.478 nan 8.290 nan 0.000 0.512 249 D N -1.513 118.764 120.400 -0.204 0.000 2.469 249 D HA 0.354 5.000 4.640 0.010 0.000 0.213 249 D C 1.681 177.935 176.300 -0.077 0.000 1.135 249 D CA 0.384 54.316 54.000 -0.115 0.000 0.834 249 D CB -0.379 40.386 40.800 -0.058 0.000 1.009 249 D HN 1.449 nan 8.370 nan 0.000 0.507 250 G N 0.350 109.097 108.800 -0.089 0.000 2.162 250 G HA2 -0.319 3.647 3.960 0.010 0.000 0.260 250 G HA3 -0.319 3.647 3.960 0.010 0.000 0.260 250 G C 0.917 175.825 174.900 0.012 0.000 0.976 250 G CA 1.343 46.436 45.100 -0.012 0.000 0.655 250 G HN 0.978 nan 8.290 nan 0.000 0.533 251 V N -4.749 115.166 119.914 0.001 0.000 3.161 251 V HA 0.419 4.545 4.120 0.010 0.000 0.228 251 V C 1.156 177.257 176.094 0.012 0.000 1.415 251 V CA 1.163 63.468 62.300 0.008 0.000 1.285 251 V CB -0.046 31.782 31.823 0.008 0.000 1.100 251 V HN 0.272 nan 8.190 nan 0.000 0.478 252 T N 3.176 117.737 114.554 0.012 0.000 2.901 252 T HA 0.260 4.616 4.350 0.010 0.000 0.301 252 T C -0.374 174.350 174.700 0.040 0.000 1.012 252 T CA 0.587 62.700 62.100 0.022 0.000 1.135 252 T CB 0.760 69.640 68.868 0.020 0.000 0.936 252 T HN 0.579 nan 8.240 nan 0.000 0.539 253 D N 1.937 122.361 120.400 0.040 0.000 2.358 253 D HA 0.053 4.699 4.640 0.010 0.000 0.258 253 D C 0.179 176.519 176.300 0.066 0.000 1.223 253 D CA -0.196 53.834 54.000 0.050 0.000 0.886 253 D CB 0.547 41.368 40.800 0.035 0.000 1.120 253 D HN 0.329 nan 8.370 nan 0.000 0.482 254 D N 2.393 122.851 120.400 0.095 0.000 2.431 254 D HA 0.018 4.664 4.640 0.010 0.000 0.213 254 D C 1.409 177.759 176.300 0.083 0.000 1.130 254 D CA 0.151 54.225 54.000 0.123 0.000 0.834 254 D CB 0.539 41.482 40.800 0.240 0.000 0.985 254 D HN 0.403 nan 8.370 nan 0.000 0.504 255 T N 0.642 115.222 114.554 0.043 0.000 2.624 255 T HA -0.235 4.121 4.350 0.010 0.000 0.268 255 T C 2.069 176.771 174.700 0.003 0.000 1.041 255 T CA 1.832 63.931 62.100 -0.003 0.000 1.159 255 T CB -0.130 68.724 68.868 -0.024 0.000 0.863 255 T HN 0.233 nan 8.240 nan 0.000 0.434 256 A N 1.503 124.331 122.820 0.014 0.000 1.883 256 A HA 0.119 4.445 4.320 0.010 0.000 0.217 256 A C 2.694 180.293 177.584 0.024 0.000 1.186 256 A CA 2.050 54.095 52.037 0.013 0.000 0.624 256 A CB -1.235 17.774 19.000 0.014 0.000 0.822 256 A HN 0.545 nan 8.150 nan 0.000 0.444 257 A N -0.761 122.085 122.820 0.042 0.000 1.902 257 A HA -0.011 4.315 4.320 0.010 0.000 0.217 257 A C 1.995 179.612 177.584 0.056 0.000 1.181 257 A CA 1.686 53.755 52.037 0.052 0.000 0.623 257 A CB -0.494 18.552 19.000 0.075 0.000 0.818 257 A HN 0.383 nan 8.150 nan 0.000 0.443 258 L N -0.122 121.140 121.223 0.065 0.000 2.083 258 L HA -0.106 4.239 4.340 0.010 0.000 0.209 258 L C 2.658 179.572 176.870 0.074 0.000 1.083 258 L CA 2.303 57.200 54.840 0.095 0.000 0.752 258 L CB -1.825 40.291 42.059 0.095 0.000 0.899 258 L HN 0.364 nan 8.230 nan 0.000 0.433 259 T N -0.804 113.767 114.554 0.029 0.000 2.746 259 T HA -0.165 4.191 4.350 0.010 0.000 0.267 259 T C 2.111 176.812 174.700 0.003 0.000 1.039 259 T CA 1.660 63.763 62.100 0.005 0.000 1.142 259 T CB -0.151 68.709 68.868 -0.014 0.000 0.866 259 T HN 0.546 nan 8.240 nan 0.000 0.444 260 S N 1.820 117.526 115.700 0.009 0.000 2.355 260 S HA 0.013 4.489 4.470 0.010 0.000 0.222 260 S C 2.460 177.059 174.600 -0.002 0.000 1.031 260 S CA 1.113 59.314 58.200 0.003 0.000 0.993 260 S CB -0.641 62.563 63.200 0.008 0.000 0.859 260 S HN 0.461 nan 8.310 nan 0.000 0.453 261 A N 2.133 124.957 122.820 0.008 0.000 1.892 261 A HA 0.006 4.332 4.320 0.010 0.000 0.218 261 A C 2.395 179.953 177.584 -0.043 0.000 1.188 261 A CA 1.799 53.831 52.037 -0.008 0.000 0.631 261 A CB -1.101 17.905 19.000 0.011 0.000 0.822 261 A HN 0.589 nan 8.150 nan 0.000 0.447 262 L N -0.621 120.579 121.223 -0.040 0.000 2.046 262 L HA -0.234 4.112 4.340 0.010 0.000 0.208 262 L C 2.308 179.141 176.870 -0.061 0.000 1.077 262 L CA 1.833 56.627 54.840 -0.077 0.000 0.747 262 L CB -0.631 41.401 42.059 -0.047 0.000 0.896 262 L HN 0.519 nan 8.230 nan 0.000 0.432 263 N N -0.525 118.152 118.700 -0.038 0.000 2.244 263 N HA -0.155 4.591 4.740 0.010 0.000 0.183 263 N C 0.841 176.332 175.510 -0.033 0.000 1.016 263 N CA 0.900 53.929 53.050 -0.034 0.000 0.866 263 N CB 0.042 38.514 38.487 -0.024 0.000 0.980 263 N HN 0.306 nan 8.380 nan 0.000 0.430 264 D N -0.117 120.264 120.400 -0.032 0.000 2.349 264 D HA -0.013 4.633 4.640 0.010 0.000 0.215 264 D C 0.543 176.821 176.300 -0.037 0.000 1.016 264 D CA 0.667 54.650 54.000 -0.029 0.000 0.870 264 D CB 0.088 40.876 40.800 -0.021 0.000 0.917 264 D HN 0.289 nan 8.370 nan 0.000 0.524 265 T N -1.424 113.099 114.554 -0.053 0.000 2.888 265 T HA 0.598 4.954 4.350 0.010 0.000 0.284 265 T C -2.766 171.896 174.700 -0.063 0.000 1.017 265 T CA -2.113 59.949 62.100 -0.062 0.000 1.022 265 T CB 2.045 70.861 68.868 -0.087 0.000 1.013 265 T HN -0.320 nan 8.240 nan 0.000 0.465 266 P HA 0.107 nan 4.420 nan 0.000 0.267 266 P C 1.467 178.729 177.300 -0.064 0.000 1.200 266 P CA -0.567 62.502 63.100 -0.051 0.000 0.772 266 P CB 0.410 32.085 31.700 -0.042 0.000 0.855 267 V N 0.478 120.357 119.914 -0.057 0.000 2.913 267 V HA -0.048 4.078 4.120 0.010 0.000 0.260 267 V C 1.737 177.794 176.094 -0.063 0.000 1.098 267 V CA 2.014 64.276 62.300 -0.064 0.000 1.121 267 V CB -1.604 30.189 31.823 -0.051 0.000 0.714 267 V HN 0.638 nan 8.190 nan 0.000 0.487 268 G N -0.405 108.364 108.800 -0.052 0.000 2.838 268 G HA2 0.020 3.986 3.960 0.010 0.000 0.210 268 G HA3 0.020 3.986 3.960 0.010 0.000 0.210 268 G C 0.752 175.623 174.900 -0.049 0.000 1.153 268 G CA 0.235 45.309 45.100 -0.043 0.000 0.778 268 G HN 0.593 nan 8.290 nan 0.000 0.539 269 Q N 1.353 121.115 119.800 -0.063 0.000 2.300 269 Q HA 0.194 4.540 4.340 0.010 0.000 0.280 269 Q C -0.275 175.669 176.000 -0.092 0.000 1.033 269 Q CA 0.141 55.903 55.803 -0.069 0.000 0.903 269 Q CB 0.582 29.274 28.738 -0.076 0.000 1.195 269 Q HN -0.126 nan 8.270 nan 0.000 0.386 270 K N 5.061 125.420 120.400 -0.068 0.000 2.267 270 K HA 0.289 4.614 4.320 0.010 0.000 0.282 270 K C -0.528 176.020 176.600 -0.087 0.000 1.078 270 K CA -0.231 56.016 56.287 -0.068 0.000 0.903 270 K CB 0.394 32.884 32.500 -0.017 0.000 1.111 270 K HN 0.686 nan 8.250 nan 0.000 0.475 271 I N 3.018 123.480 120.570 -0.181 0.000 2.379 271 I HA -0.001 4.175 4.170 0.010 0.000 0.290 271 I C 0.791 176.909 176.117 0.001 0.000 1.063 271 I CA -0.344 60.846 61.300 -0.183 0.000 1.351 271 I CB 0.267 37.976 38.000 -0.484 0.000 1.410 271 I HN 0.310 nan 8.210 nan 0.000 0.505 272 N N 5.388 124.114 118.700 0.042 0.000 2.408 272 N HA 0.143 4.889 4.740 0.010 0.000 0.257 272 N C 0.905 176.500 175.510 0.143 0.000 1.064 272 N CA -0.056 53.054 53.050 0.099 0.000 0.952 272 N CB 1.760 40.290 38.487 0.072 0.000 1.093 272 N HN 0.747 nan 8.380 nan 0.000 0.490 273 G N 2.377 111.292 108.800 0.192 0.000 2.848 273 G HA2 -0.141 3.825 3.960 0.010 0.000 0.208 273 G HA3 -0.141 3.825 3.960 0.010 0.000 0.208 273 G C 0.471 175.551 174.900 0.299 0.000 1.152 273 G CA -0.258 44.985 45.100 0.239 0.000 0.789 273 G HN 0.819 nan 8.290 nan 0.000 0.531 274 N N -0.467 118.353 118.700 0.200 0.000 2.708 274 N HA -0.224 4.521 4.740 0.010 0.000 0.249 274 N C 1.497 177.099 175.510 0.154 0.000 1.097 274 N CA 1.527 54.668 53.050 0.152 0.000 0.710 274 N CB -1.397 37.168 38.487 0.130 0.000 1.032 274 N HN 1.002 nan 8.380 nan 0.000 0.551 275 G N -1.167 107.767 108.800 0.222 0.000 2.162 275 G HA2 -0.368 3.598 3.960 0.010 0.000 0.260 275 G HA3 -0.368 3.598 3.960 0.010 0.000 0.260 275 G C 0.152 175.252 174.900 0.334 0.000 0.976 275 G CA 1.034 46.301 45.100 0.278 0.000 0.655 275 G HN 0.551 nan 8.290 nan 0.000 0.533 276 K N 0.153 120.672 120.400 0.198 0.000 2.090 276 K HA 0.558 4.884 4.320 0.010 0.000 0.250 276 K C -0.059 176.422 176.600 -0.198 0.000 1.004 276 K CA -0.184 56.068 56.287 -0.059 0.000 0.919 276 K CB 0.851 33.192 32.500 -0.265 0.000 1.045 276 K HN 0.080 nan 8.250 nan 0.000 0.471 277 T N 1.781 116.134 114.554 -0.336 0.000 2.794 277 T HA 0.332 4.688 4.350 0.010 0.000 0.280 277 T C -1.072 173.361 174.700 -0.445 0.000 0.987 277 T CA -0.476 61.459 62.100 -0.275 0.000 0.993 277 T CB 0.161 68.998 68.868 -0.052 0.000 0.939 277 T HN 0.266 nan 8.240 nan 0.000 0.449 278 Y N 2.175 122.419 120.300 -0.092 0.000 2.345 278 Y HA 0.376 4.931 4.550 0.009 0.000 0.331 278 Y C 0.610 176.562 175.900 0.086 0.000 0.959 278 Y CA -1.072 57.031 58.100 0.005 0.000 1.204 278 Y CB 1.113 39.578 38.460 0.007 0.000 1.135 278 Y HN 0.321 nan 8.280 nan 0.000 0.477 279 K N 4.235 124.723 120.400 0.147 0.000 2.368 279 K HA 0.433 4.759 4.320 0.010 0.000 0.282 279 K C -0.780 175.896 176.600 0.128 0.000 1.035 279 K CA 0.036 56.388 56.287 0.109 0.000 0.973 279 K CB 0.480 33.011 32.500 0.052 0.000 0.957 279 K HN 0.642 nan 8.250 nan 0.000 0.474 280 V N 0.383 120.360 119.914 0.104 0.000 3.078 280 V HA 0.408 4.534 4.120 0.010 0.000 0.311 280 V C 0.603 176.742 176.094 0.074 0.000 1.138 280 V CA -0.446 61.874 62.300 0.034 0.000 1.007 280 V CB 1.515 33.272 31.823 -0.109 0.000 1.045 280 V HN 0.799 nan 8.190 nan 0.000 0.432 281 T N -1.466 113.105 114.554 0.028 0.000 3.060 281 T HA 0.370 4.726 4.350 0.010 0.000 0.249 281 T C 0.571 175.307 174.700 0.060 0.000 1.079 281 T CA 0.572 62.732 62.100 0.100 0.000 1.013 281 T CB -0.389 68.509 68.868 0.049 0.000 0.975 281 T HN 1.604 nan 8.240 nan 0.000 0.518 282 S N 0.472 116.037 115.700 -0.226 0.000 2.535 282 S HA 0.612 5.088 4.470 0.010 0.000 0.272 282 S C -0.919 173.249 174.600 -0.721 0.000 1.149 282 S CA -1.160 56.716 58.200 -0.541 0.000 0.888 282 S CB 1.031 64.062 63.200 -0.282 0.000 1.110 282 S HN 0.264 nan 8.310 nan 0.000 0.463 283 L N 3.058 123.673 121.223 -1.013 0.000 2.455 283 L HA 0.340 4.686 4.340 0.010 0.000 0.272 283 L C -1.440 175.048 176.870 -0.637 0.000 1.174 283 L CA -1.135 53.165 54.840 -0.900 0.000 0.869 283 L CB -0.012 41.498 42.059 -0.915 0.000 1.130 283 L HN 0.599 nan 8.230 nan 0.000 0.474 284 P HA 0.074 nan 4.420 nan 0.000 0.312 284 P C -0.878 176.256 177.300 -0.277 0.000 1.308 284 P CA -0.568 62.288 63.100 -0.406 0.000 0.743 284 P CB 0.441 31.922 31.700 -0.366 0.000 1.364 285 D N -0.157 120.200 120.400 -0.071 0.000 2.398 285 D HA 0.064 4.709 4.640 0.010 0.000 0.250 285 D C 1.234 177.624 176.300 0.151 0.000 1.287 285 D CA 0.076 54.075 54.000 -0.003 0.000 0.992 285 D CB -0.669 40.134 40.800 0.004 0.000 1.071 285 D HN 0.159 nan 8.370 nan 0.000 0.514 286 I N 1.783 122.388 120.570 0.058 0.000 2.361 286 I HA -0.269 3.906 4.170 0.010 0.000 0.251 286 I C 2.337 178.630 176.117 0.293 0.000 1.133 286 I CA 0.857 62.284 61.300 0.211 0.000 1.413 286 I CB -0.159 37.892 38.000 0.086 0.000 1.073 286 I HN 0.347 nan 8.210 nan 0.000 0.424 287 S N 0.907 116.694 115.700 0.145 0.000 2.469 287 S HA -0.132 4.344 4.470 0.010 0.000 0.238 287 S C 1.926 176.578 174.600 0.086 0.000 0.998 287 S CA 0.739 58.998 58.200 0.099 0.000 0.957 287 S CB -0.357 62.863 63.200 0.034 0.000 0.764 287 S HN 0.448 nan 8.310 nan 0.000 0.514 288 R N -0.589 119.960 120.500 0.081 0.000 2.317 288 R HA 0.335 4.681 4.340 0.010 0.000 0.208 288 R C -0.751 175.405 176.300 -0.241 0.000 0.914 288 R CA 0.015 56.047 56.100 -0.114 0.000 1.060 288 R CB 0.089 30.246 30.300 -0.238 0.000 1.015 288 R HN 0.399 nan 8.270 nan 0.000 0.498 289 F N 0.888 120.874 119.950 0.060 0.000 2.458 289 F HA 0.453 4.986 4.527 0.010 0.000 0.330 289 F C 0.453 176.288 175.800 0.059 0.000 1.082 289 F CA -1.419 56.617 58.000 0.060 0.000 0.995 289 F CB 1.186 40.248 39.000 0.103 0.000 1.170 289 F HN -0.191 nan 8.300 nan 0.000 0.478 290 I N -0.667 120.040 120.570 0.227 0.000 2.846 290 I HA 0.597 4.773 4.170 0.010 0.000 0.307 290 I C -0.015 176.224 176.117 0.203 0.000 1.053 290 I CA -1.193 60.216 61.300 0.182 0.000 1.050 290 I CB 1.804 39.872 38.000 0.113 0.000 1.239 290 I HN 0.635 nan 8.210 nan 0.000 0.439 291 N N 1.585 120.418 118.700 0.221 0.000 2.725 291 N HA -0.166 4.580 4.740 0.010 0.000 0.251 291 N C -1.184 174.544 175.510 0.364 0.000 1.031 291 N CA 1.265 54.482 53.050 0.278 0.000 0.720 291 N CB -0.876 37.711 38.487 0.166 0.000 0.930 291 N HN 0.963 nan 8.380 nan 0.000 0.543 292 T N 0.545 115.251 114.554 0.255 0.000 2.912 292 T HA 0.489 4.845 4.350 0.010 0.000 0.299 292 T C -0.298 174.036 174.700 -0.609 0.000 1.052 292 T CA -0.706 61.320 62.100 -0.122 0.000 0.996 292 T CB 2.148 70.805 68.868 -0.351 0.000 1.070 292 T HN 0.320 nan 8.240 nan 0.000 0.465 293 R N 1.645 121.631 120.500 -0.856 0.000 2.599 293 R HA 0.682 5.028 4.340 0.010 0.000 0.295 293 R C -1.548 174.373 176.300 -0.632 0.000 0.963 293 R CA -0.653 54.895 56.100 -0.921 0.000 0.883 293 R CB 0.909 30.495 30.300 -1.190 0.000 1.171 293 R HN 0.466 nan 8.270 nan 0.000 0.450 294 F N 2.924 122.840 119.950 -0.057 0.000 2.450 294 F HA 0.427 4.960 4.527 0.010 0.000 0.332 294 F C -0.108 175.731 175.800 0.066 0.000 1.093 294 F CA -0.866 57.141 58.000 0.011 0.000 1.003 294 F CB 1.890 40.847 39.000 -0.072 0.000 1.151 294 F HN 0.063 nan 8.300 nan 0.000 0.474 295 V N 2.110 122.113 119.914 0.148 0.000 2.483 295 V HA 0.499 4.625 4.120 0.010 0.000 0.295 295 V C -1.219 174.935 176.094 0.100 0.000 1.035 295 V CA -1.176 61.050 62.300 -0.124 0.000 0.896 295 V CB 1.382 32.980 31.823 -0.374 0.000 0.986 295 V HN 0.781 nan 8.190 nan 0.000 0.447 296 Y N 1.784 122.061 120.300 -0.038 0.000 2.442 296 Y HA 0.468 5.024 4.550 0.010 0.000 0.330 296 Y C -0.319 175.585 175.900 0.007 0.000 1.100 296 Y CA -0.626 57.465 58.100 -0.015 0.000 1.034 296 Y CB 2.076 40.487 38.460 -0.083 0.000 1.285 296 Y HN 0.750 nan 8.280 nan 0.000 0.440 297 E N 6.580 126.503 120.200 -0.461 0.000 2.136 297 E HA 0.174 4.530 4.350 0.010 0.000 0.246 297 E C 0.749 176.829 176.600 -0.867 0.000 1.017 297 E CA -0.388 55.705 56.400 -0.512 0.000 0.883 297 E CB 0.895 30.449 29.700 -0.244 0.000 1.199 297 E HN 0.670 nan 8.360 nan 0.000 0.447 298 R N 2.397 122.207 120.500 -1.149 0.000 2.083 298 R HA -0.101 4.245 4.340 0.010 0.000 0.237 298 R C 0.485 176.612 176.300 -0.289 0.000 1.137 298 R CA 1.101 56.770 56.100 -0.719 0.000 0.951 298 R CB 0.286 30.403 30.300 -0.305 0.000 0.851 298 R HN 0.316 nan 8.270 nan 0.000 0.434 299 I N 2.505 122.939 120.570 -0.227 0.000 2.339 299 I HA 0.313 4.489 4.170 0.010 0.000 0.290 299 I C -2.277 173.742 176.117 -0.163 0.000 0.994 299 I CA -3.444 57.769 61.300 -0.145 0.000 1.191 299 I CB 1.041 38.980 38.000 -0.102 0.000 1.343 299 I HN -0.059 nan 8.210 nan 0.000 0.458 300 P HA 0.149 nan 4.420 nan 0.000 0.262 300 P C 0.912 178.151 177.300 -0.101 0.000 1.182 300 P CA 0.769 63.807 63.100 -0.103 0.000 0.761 300 P CB 0.576 32.237 31.700 -0.064 0.000 0.795 301 G N 2.349 111.090 108.800 -0.098 0.000 2.195 301 G HA2 -0.256 3.710 3.960 0.010 0.000 0.246 301 G HA3 -0.256 3.710 3.960 0.010 0.000 0.246 301 G C 0.132 174.920 174.900 -0.187 0.000 0.984 301 G CA -0.289 44.760 45.100 -0.085 0.000 0.633 301 G HN 0.588 nan 8.290 nan 0.000 0.525 302 Q N 1.041 120.692 119.800 -0.249 0.000 2.965 302 Q HA 0.278 4.624 4.340 0.010 0.000 0.288 302 Q C -2.701 173.174 176.000 -0.208 0.000 0.974 302 Q CA -1.695 53.890 55.803 -0.364 0.000 0.849 302 Q CB 2.318 30.812 28.738 -0.406 0.000 1.280 302 Q HN 0.352 nan 8.270 nan 0.000 0.441 303 P HA 0.087 nan 4.420 nan 0.000 0.271 303 P C -0.639 176.587 177.300 -0.124 0.000 1.220 303 P CA 0.276 63.281 63.100 -0.158 0.000 0.768 303 P CB 0.994 32.599 31.700 -0.158 0.000 0.848 304 L N 3.478 124.621 121.223 -0.135 0.000 2.301 304 L HA 0.521 4.867 4.340 0.010 0.000 0.264 304 L C -0.215 176.526 176.870 -0.216 0.000 1.016 304 L CA -1.150 53.633 54.840 -0.093 0.000 0.821 304 L CB 1.342 43.337 42.059 -0.107 0.000 1.346 304 L HN 0.281 nan 8.230 nan 0.000 0.429 305 Y N -0.188 120.008 120.300 -0.174 0.000 2.487 305 Y HA 0.574 5.130 4.550 0.010 0.000 0.337 305 Y C -1.035 174.638 175.900 -0.378 0.000 1.076 305 Y CA -0.644 57.385 58.100 -0.119 0.000 1.115 305 Y CB 1.548 39.944 38.460 -0.107 0.000 1.235 305 Y HN 0.209 nan 8.280 nan 0.000 0.468 306 Y N 0.456 120.859 120.300 0.171 0.000 2.354 306 Y HA 0.646 5.201 4.550 0.008 0.000 0.330 306 Y C -0.340 175.581 175.900 0.035 0.000 1.011 306 Y CA -1.277 56.888 58.100 0.109 0.000 1.099 306 Y CB 1.671 40.218 38.460 0.145 0.000 1.179 306 Y HN 0.690 nan 8.280 nan 0.000 0.442 307 A N 2.349 125.242 122.820 0.121 0.000 2.290 307 A HA 0.612 4.938 4.320 0.010 0.000 0.310 307 A C 0.303 177.967 177.584 0.133 0.000 1.202 307 A CA -0.484 51.581 52.037 0.045 0.000 0.837 307 A CB 0.299 19.402 19.000 0.171 0.000 1.139 307 A HN 0.761 nan 8.150 nan 0.000 0.509 308 S N 2.531 118.287 115.700 0.094 0.000 2.608 308 S HA 0.244 4.720 4.470 0.010 0.000 0.261 308 S C 0.097 174.819 174.600 0.204 0.000 1.314 308 S CA -0.495 57.812 58.200 0.178 0.000 0.992 308 S CB 0.274 63.581 63.200 0.178 0.000 0.935 308 S HN 0.667 nan 8.310 nan 0.000 0.564 309 E N 0.887 121.198 120.200 0.185 0.000 2.442 309 E HA 0.060 4.416 4.350 0.010 0.000 0.262 309 E C 0.635 177.340 176.600 0.175 0.000 1.004 309 E CA 0.549 57.047 56.400 0.163 0.000 0.928 309 E CB 0.061 29.834 29.700 0.121 0.000 0.937 309 E HN 0.838 nan 8.360 nan 0.000 0.446 310 E N -0.007 120.288 120.200 0.158 0.000 3.916 310 E HA -0.302 4.054 4.350 0.010 0.000 0.331 310 E C 0.665 177.357 176.600 0.153 0.000 0.729 310 E CA 0.661 57.138 56.400 0.130 0.000 1.222 310 E CB -1.364 28.395 29.700 0.099 0.000 1.633 310 E HN 0.544 nan 8.360 nan 0.000 0.437 311 F N 1.155 121.148 119.950 0.073 0.000 2.163 311 F HA -0.023 4.511 4.527 0.010 0.000 0.297 311 F C 1.266 177.105 175.800 0.065 0.000 1.094 311 F CA 1.307 59.343 58.000 0.060 0.000 1.290 311 F CB 0.406 39.438 39.000 0.053 0.000 1.017 311 F HN -0.037 nan 8.300 nan 0.000 0.483 312 V N -0.117 119.885 119.914 0.146 0.000 2.612 312 V HA 0.394 4.519 4.120 0.010 0.000 0.301 312 V C -0.404 175.730 176.094 0.066 0.000 1.046 312 V CA -0.850 61.483 62.300 0.055 0.000 0.946 312 V CB 1.420 33.337 31.823 0.156 0.000 1.003 312 V HN 0.167 nan 8.190 nan 0.000 0.459 313 Q N 2.659 122.470 119.800 0.019 0.000 2.402 313 Q HA 0.620 4.966 4.340 0.010 0.000 0.238 313 Q C 0.179 176.224 176.000 0.076 0.000 1.126 313 Q CA 0.361 56.187 55.803 0.039 0.000 0.904 313 Q CB 0.969 29.710 28.738 0.005 0.000 1.357 313 Q HN 1.158 nan 8.270 nan 0.000 0.491 314 G N 1.919 110.768 108.800 0.082 0.000 2.698 314 G HA2 0.497 4.463 3.960 0.010 0.000 0.293 314 G HA3 0.497 4.463 3.960 0.010 0.000 0.293 314 G C -1.826 172.973 174.900 -0.170 0.000 1.437 314 G CA -0.452 44.643 45.100 -0.009 0.000 0.852 314 G HN 0.413 nan 8.290 nan 0.000 0.499 315 E N -0.077 119.804 120.200 -0.531 0.000 2.352 315 E HA 0.501 4.857 4.350 0.010 0.000 0.280 315 E C -1.791 174.484 176.600 -0.541 0.000 0.930 315 E CA -0.787 55.363 56.400 -0.416 0.000 0.765 315 E CB 2.532 32.062 29.700 -0.285 0.000 1.219 315 E HN 0.467 nan 8.360 nan 0.000 0.434 316 L N 4.285 125.338 121.223 -0.283 0.000 2.307 316 L HA 0.596 4.942 4.340 0.010 0.000 0.282 316 L C -1.641 175.122 176.870 -0.180 0.000 1.051 316 L CA 0.098 54.940 54.840 0.002 0.000 0.804 316 L CB 0.582 42.775 42.059 0.222 0.000 1.197 316 L HN 0.515 nan 8.230 nan 0.000 0.431 317 F N 3.428 123.409 119.950 0.051 0.000 2.532 317 F HA 0.486 5.019 4.527 0.010 0.000 0.321 317 F C 0.001 175.763 175.800 -0.063 0.000 1.089 317 F CA -0.748 57.251 58.000 -0.002 0.000 0.926 317 F CB 1.679 40.683 39.000 0.007 0.000 1.168 317 F HN 0.350 nan 8.300 nan 0.000 0.459 318 K N 3.533 123.935 120.400 0.003 0.000 2.201 318 K HA 0.455 4.781 4.320 0.010 0.000 0.278 318 K C 0.435 176.784 176.600 -0.419 0.000 1.027 318 K CA -0.240 55.791 56.287 -0.428 0.000 0.909 318 K CB 0.737 32.981 32.500 -0.426 0.000 1.062 318 K HN 0.824 nan 8.250 nan 0.000 0.465 319 I N -0.156 120.012 120.570 -0.670 0.000 4.456 319 I HA 0.173 4.349 4.170 0.010 0.000 0.329 319 I C 0.056 175.858 176.117 -0.525 0.000 1.313 319 I CA -0.381 60.479 61.300 -0.734 0.000 1.205 319 I CB 0.963 38.077 38.000 -1.476 0.000 1.179 319 I HN 0.489 nan 8.210 nan 0.000 0.419 320 T N -1.817 112.418 114.554 -0.533 0.000 2.916 320 T HA 0.597 4.953 4.350 0.010 0.000 0.292 320 T C -0.976 173.539 174.700 -0.307 0.000 1.055 320 T CA -0.432 61.454 62.100 -0.357 0.000 1.009 320 T CB 2.506 71.132 68.868 -0.402 0.000 1.118 320 T HN 0.134 nan 8.240 nan 0.000 0.497 321 D N 0.603 120.904 120.400 -0.164 0.000 2.752 321 D HA 0.314 4.960 4.640 0.010 0.000 0.242 321 D C -1.128 175.157 176.300 -0.024 0.000 1.295 321 D CA -0.059 53.874 54.000 -0.112 0.000 0.846 321 D CB 0.718 41.458 40.800 -0.100 0.000 1.454 321 D HN 0.635 nan 8.370 nan 0.000 0.535 322 T N 1.518 116.078 114.554 0.010 0.000 2.907 322 T HA 0.443 4.799 4.350 0.010 0.000 0.292 322 T C -1.926 172.821 174.700 0.078 0.000 1.043 322 T CA -1.516 60.647 62.100 0.106 0.000 1.003 322 T CB 2.310 71.313 68.868 0.225 0.000 1.084 322 T HN -0.076 nan 8.240 nan 0.000 0.483 323 P HA 0.054 nan 4.420 nan 0.000 0.226 323 P C -0.144 177.093 177.300 -0.104 0.000 1.153 323 P CA 0.591 63.626 63.100 -0.108 0.000 0.777 323 P CB -0.034 31.512 31.700 -0.257 0.000 0.794 324 Y N -1.788 118.567 120.300 0.092 0.000 2.385 324 Y HA 0.006 4.562 4.550 0.009 0.000 0.346 324 Y C 0.955 176.980 175.900 0.209 0.000 1.270 324 Y CA -0.378 57.830 58.100 0.180 0.000 1.472 324 Y CB -0.097 38.516 38.460 0.255 0.000 1.354 324 Y HN -0.110 nan 8.280 nan 0.000 0.611 325 Y N 3.021 123.481 120.300 0.267 0.000 2.640 325 Y HA 0.114 4.669 4.550 0.008 0.000 0.355 325 Y C -0.612 175.398 175.900 0.183 0.000 1.088 325 Y CA -0.712 57.462 58.100 0.124 0.000 1.443 325 Y CB -0.825 37.611 38.460 -0.040 0.000 1.224 325 Y HN 0.444 nan 8.280 nan 0.000 0.516 326 N N 4.762 123.556 118.700 0.156 0.000 2.439 326 N HA 0.666 5.411 4.740 0.010 0.000 0.249 326 N C -0.785 174.669 175.510 -0.093 0.000 1.003 326 N CA -0.265 52.872 53.050 0.145 0.000 0.942 326 N CB 0.948 39.406 38.487 -0.049 0.000 1.115 326 N HN 0.626 nan 8.380 nan 0.000 0.505 327 A N 1.528 124.346 122.820 -0.003 0.000 2.506 327 A HA 0.519 4.845 4.320 0.010 0.000 0.305 327 A C -1.352 176.235 177.584 0.006 0.000 1.166 327 A CA -0.768 51.027 52.037 -0.403 0.000 0.638 327 A CB 0.659 18.905 19.000 -1.257 0.000 1.336 327 A HN 0.702 nan 8.150 nan 0.000 0.493 328 W N -2.404 118.990 121.300 0.156 0.000 6.199 328 W HA -0.113 4.552 4.660 0.008 0.000 0.416 328 W C -2.273 174.350 176.519 0.173 0.000 1.636 328 W CA 0.220 57.657 57.345 0.153 0.000 1.040 328 W CB -2.215 27.304 29.460 0.099 0.000 2.854 328 W HN 0.538 nan 8.180 nan 0.000 1.467 329 P HA -0.185 nan 4.420 nan 0.000 0.220 329 P C 1.141 178.598 177.300 0.262 0.000 1.148 329 P CA 1.833 65.084 63.100 0.251 0.000 0.803 329 P CB 0.126 31.915 31.700 0.147 0.000 0.782 330 Q N 0.931 120.920 119.800 0.314 0.000 2.304 330 Q HA -0.047 4.299 4.340 0.010 0.000 0.315 330 Q C -0.441 175.662 176.000 0.171 0.000 1.075 330 Q CA 0.329 56.325 55.803 0.322 0.000 0.988 330 Q CB -0.205 28.862 28.738 0.548 0.000 1.146 330 Q HN -0.037 nan 8.270 nan 0.000 0.383 331 D N 2.550 122.900 120.400 -0.083 0.000 2.432 331 D HA 0.222 4.868 4.640 0.010 0.000 0.265 331 D C -0.521 175.816 176.300 0.063 0.000 1.160 331 D CA -0.517 53.469 54.000 -0.023 0.000 0.911 331 D CB 0.551 41.232 40.800 -0.198 0.000 1.052 331 D HN 0.636 nan 8.370 nan 0.000 0.508 332 K N 0.871 121.358 120.400 0.145 0.000 2.481 332 K HA 0.357 4.683 4.320 0.010 0.000 0.210 332 K C 0.506 177.272 176.600 0.277 0.000 1.161 332 K CA -0.419 55.976 56.287 0.180 0.000 1.023 332 K CB 1.301 33.913 32.500 0.187 0.000 0.971 332 K HN 0.300 nan 8.250 nan 0.000 0.577 333 A N 1.788 124.748 122.820 0.233 0.000 2.445 333 A HA 0.474 4.800 4.320 0.010 0.000 0.242 333 A C -0.187 177.562 177.584 0.274 0.000 1.075 333 A CA 0.106 52.255 52.037 0.186 0.000 0.777 333 A CB -0.270 18.815 19.000 0.142 0.000 1.013 333 A HN 0.277 nan 8.150 nan 0.000 0.493 334 F N -0.264 119.731 119.950 0.076 0.000 2.686 334 F HA 0.622 5.155 4.527 0.010 0.000 0.311 334 F C -0.794 175.060 175.800 0.089 0.000 1.128 334 F CA -1.305 56.724 58.000 0.050 0.000 0.946 334 F CB 1.224 40.194 39.000 -0.050 0.000 1.336 334 F HN 0.648 nan 8.300 nan 0.000 0.457 335 V N 1.748 121.808 119.914 0.242 0.000 2.513 335 V HA 0.739 4.865 4.120 0.010 0.000 0.299 335 V C -2.259 174.045 176.094 0.350 0.000 1.035 335 V CA -0.624 61.783 62.300 0.178 0.000 0.889 335 V CB 1.499 33.353 31.823 0.052 0.000 0.988 335 V HN 1.011 nan 8.190 nan 0.000 0.440 336 Y N 4.208 124.622 120.300 0.190 0.000 2.361 336 Y HA 0.445 5.001 4.550 0.010 0.000 0.328 336 Y C 0.328 176.293 175.900 0.108 0.000 1.044 336 Y CA -0.537 57.654 58.100 0.153 0.000 1.085 336 Y CB 1.564 40.098 38.460 0.124 0.000 1.194 336 Y HN 0.950 nan 8.280 nan 0.000 0.438 337 E N 5.002 124.937 120.200 -0.441 0.000 2.199 337 E HA -0.405 3.951 4.350 0.010 0.000 0.208 337 E C -0.016 176.512 176.600 -0.119 0.000 1.310 337 E CA 1.423 57.633 56.400 -0.316 0.000 0.709 337 E CB -1.243 28.226 29.700 -0.386 0.000 1.127 337 E HN 1.009 nan 8.360 nan 0.000 0.354 338 N N -2.814 115.833 118.700 -0.089 0.000 2.965 338 N HA -0.192 4.554 4.740 0.010 0.000 0.232 338 N C -0.477 174.949 175.510 -0.141 0.000 0.913 338 N CA 1.082 54.078 53.050 -0.091 0.000 0.981 338 N CB -0.411 38.025 38.487 -0.084 0.000 1.077 338 N HN 0.168 nan 8.380 nan 0.000 0.589 339 V N 1.703 121.544 119.914 -0.121 0.000 2.427 339 V HA 0.453 4.578 4.120 0.010 0.000 0.286 339 V C 0.432 176.341 176.094 -0.308 0.000 1.034 339 V CA -0.536 61.596 62.300 -0.280 0.000 0.893 339 V CB 1.585 33.218 31.823 -0.317 0.000 0.982 339 V HN 0.090 nan 8.190 nan 0.000 0.452 340 I N 5.067 125.322 120.570 -0.525 0.000 2.342 340 I HA 0.336 4.512 4.170 0.010 0.000 0.291 340 I C -0.952 174.814 176.117 -0.585 0.000 1.010 340 I CA -0.323 60.694 61.300 -0.473 0.000 1.308 340 I CB 0.665 38.312 38.000 -0.588 0.000 1.400 340 I HN 0.489 nan 8.210 nan 0.000 0.488 341 Y N 4.635 124.547 120.300 -0.647 0.000 2.331 341 Y HA 0.557 5.112 4.550 0.010 0.000 0.338 341 Y C 0.388 176.052 175.900 -0.392 0.000 0.992 341 Y CA -0.859 56.769 58.100 -0.787 0.000 1.121 341 Y CB 1.819 39.265 38.460 -1.690 0.000 1.184 341 Y HN 0.577 nan 8.280 nan 0.000 0.469 342 A N 6.420 129.256 122.820 0.026 0.000 2.786 342 A HA 0.578 4.904 4.320 0.010 0.000 0.346 342 A C -2.872 174.909 177.584 0.328 0.000 1.265 342 A CA -1.771 50.343 52.037 0.128 0.000 0.858 342 A CB -0.215 18.782 19.000 -0.005 0.000 1.118 342 A HN 0.392 nan 8.150 nan 0.000 0.482 343 P HA 0.505 nan 4.420 nan 0.000 0.274 343 P C -0.680 176.883 177.300 0.439 0.000 1.237 343 P CA 0.147 63.532 63.100 0.474 0.000 0.793 343 P CB 0.387 32.360 31.700 0.455 0.000 0.977 344 Y N -1.919 118.498 120.300 0.195 0.000 2.914 344 Y HA 0.689 5.244 4.550 0.009 0.000 0.327 344 Y C -1.541 174.459 175.900 0.168 0.000 1.440 344 Y CA -1.384 56.821 58.100 0.176 0.000 1.086 344 Y CB 0.816 39.361 38.460 0.141 0.000 1.544 344 Y HN 0.060 nan 8.280 nan 0.000 0.442 345 M N 1.720 121.532 119.600 0.353 0.000 2.253 345 M HA 0.541 5.027 4.480 0.010 0.000 0.314 345 M C -0.455 176.101 176.300 0.426 0.000 1.019 345 M CA -0.771 54.642 55.300 0.187 0.000 0.932 345 M CB 2.273 34.945 32.600 0.121 0.000 1.606 345 M HN 0.929 nan 8.290 nan 0.000 0.430 346 G N 1.839 110.736 108.800 0.162 0.000 2.377 346 G HA2 0.584 4.550 3.960 0.010 0.000 0.316 346 G HA3 0.584 4.550 3.960 0.010 0.000 0.316 346 G C -0.230 174.723 174.900 0.089 0.000 1.115 346 G CA -0.254 45.005 45.100 0.263 0.000 0.952 346 G HN 0.775 nan 8.290 nan 0.000 0.441 347 S N 0.740 116.617 115.700 0.295 0.000 3.081 347 S HA 0.612 5.088 4.470 0.010 0.000 0.316 347 S C 0.270 175.029 174.600 0.266 0.000 1.089 347 S CA 0.074 58.387 58.200 0.188 0.000 0.897 347 S CB 1.814 65.062 63.200 0.080 0.000 1.358 347 S HN 0.425 nan 8.310 nan 0.000 0.678 348 D N -0.558 119.888 120.400 0.077 0.000 2.469 348 D HA 0.255 4.901 4.640 0.010 0.000 0.213 348 D C 0.516 176.620 176.300 -0.325 0.000 1.135 348 D CA -0.259 53.644 54.000 -0.162 0.000 0.834 348 D CB 0.075 40.903 40.800 0.047 0.000 1.009 348 D HN 0.787 nan 8.370 nan 0.000 0.507 349 R N -1.755 118.597 120.500 -0.247 0.000 2.789 349 R HA 0.231 4.577 4.340 0.010 0.000 0.279 349 R C -1.455 174.681 176.300 -0.274 0.000 1.010 349 R CA -0.778 55.129 56.100 -0.321 0.000 0.855 349 R CB -0.272 29.966 30.300 -0.104 0.000 1.312 349 R HN -0.194 nan 8.270 nan 0.000 0.479 350 H N -0.154 118.744 119.070 -0.286 0.000 3.392 350 H HA 0.478 5.042 4.556 0.013 0.000 0.253 350 H C 0.242 175.463 175.328 -0.177 0.000 1.682 350 H CA 1.681 57.665 56.048 -0.107 0.000 1.535 350 H CB 0.161 29.942 29.762 0.031 0.000 1.823 350 H HN 0.808 nan 8.280 nan 0.000 0.576 351 G N -0.628 108.040 108.800 -0.221 0.000 2.320 351 G HA2 0.181 4.147 3.960 0.010 0.000 0.296 351 G HA3 0.181 4.147 3.960 0.010 0.000 0.296 351 G C 0.068 174.848 174.900 -0.201 0.000 1.306 351 G CA -0.227 44.760 45.100 -0.188 0.000 0.836 351 G HN 0.384 nan 8.290 nan 0.000 0.517 352 V N -1.858 117.967 119.914 -0.148 0.000 3.596 352 V HA 0.464 4.589 4.120 0.010 0.000 0.289 352 V C 1.220 177.299 176.094 -0.026 0.000 1.336 352 V CA 0.822 63.058 62.300 -0.106 0.000 1.137 352 V CB -0.030 31.727 31.823 -0.108 0.000 0.966 352 V HN 1.070 nan 8.190 nan 0.000 0.428 353 S N 1.530 117.225 115.700 -0.008 0.000 2.537 353 S HA 0.263 4.739 4.470 0.010 0.000 0.286 353 S C 1.110 175.775 174.600 0.109 0.000 1.299 353 S CA 0.295 58.552 58.200 0.095 0.000 1.067 353 S CB -0.300 62.931 63.200 0.051 0.000 0.864 353 S HN 0.725 nan 8.310 nan 0.000 0.494 354 R N -0.264 120.343 120.500 0.177 0.000 3.946 354 R HA -0.183 4.162 4.340 0.010 0.000 0.329 354 R C -0.358 175.839 176.300 -0.173 0.000 1.209 354 R CA 0.666 56.782 56.100 0.026 0.000 0.909 354 R CB -1.885 28.547 30.300 0.219 0.000 1.355 354 R HN 0.522 nan 8.270 nan 0.000 0.539 355 L N 1.616 122.693 121.223 -0.245 0.000 2.305 355 L HA 0.343 4.689 4.340 0.010 0.000 0.281 355 L C -0.051 176.462 176.870 -0.594 0.000 1.085 355 L CA -0.061 54.601 54.840 -0.298 0.000 0.813 355 L CB 0.721 42.677 42.059 -0.171 0.000 1.157 355 L HN 0.052 nan 8.230 nan 0.000 0.436 356 H N 4.230 123.014 119.070 -0.477 0.000 2.529 356 H HA 0.376 4.938 4.556 0.010 0.000 0.348 356 H C -0.729 174.377 175.328 -0.370 0.000 1.079 356 H CA -0.809 54.915 56.048 -0.540 0.000 1.198 356 H CB 2.212 31.331 29.762 -1.073 0.000 1.521 356 H HN 0.445 nan 8.280 nan 0.000 0.514 357 V N 3.445 123.238 119.914 -0.203 0.000 2.521 357 V HA 0.072 4.198 4.120 0.010 0.000 0.286 357 V C 0.443 176.406 176.094 -0.220 0.000 1.034 357 V CA 0.366 62.531 62.300 -0.226 0.000 1.045 357 V CB 0.627 32.295 31.823 -0.258 0.000 0.974 357 V HN 0.726 nan 8.190 nan 0.000 0.480 358 S N 3.737 119.219 115.700 -0.364 0.000 2.667 358 S HA 0.861 5.337 4.470 0.010 0.000 0.292 358 S C -1.188 173.256 174.600 -0.260 0.000 1.126 358 S CA -0.652 57.304 58.200 -0.406 0.000 0.881 358 S CB 2.170 64.924 63.200 -0.742 0.000 1.132 358 S HN 0.867 nan 8.310 nan 0.000 0.492 359 W N 0.383 121.666 121.300 -0.028 0.000 3.167 359 W HA 0.747 5.413 4.660 0.009 0.000 0.324 359 W C -1.596 175.091 176.519 0.280 0.000 1.230 359 W CA -1.497 55.963 57.345 0.191 0.000 1.184 359 W CB -0.383 29.190 29.460 0.188 0.000 1.414 359 W HN 0.593 nan 8.180 nan 0.000 0.551 360 V N 0.098 120.366 119.914 0.590 0.000 2.919 360 V HA 0.843 4.969 4.120 0.010 0.000 0.316 360 V C -0.499 175.705 176.094 0.182 0.000 1.077 360 V CA -1.588 60.924 62.300 0.354 0.000 0.977 360 V CB 1.662 33.652 31.823 0.278 0.000 1.039 360 V HN 0.641 nan 8.190 nan 0.000 0.441 361 K N 1.226 121.632 120.400 0.011 0.000 2.435 361 K HA 0.729 5.055 4.320 0.010 0.000 0.251 361 K C -1.019 175.223 176.600 -0.597 0.000 0.954 361 K CA -0.561 55.465 56.287 -0.436 0.000 0.820 361 K CB 2.210 34.199 32.500 -0.851 0.000 1.292 361 K HN 0.765 nan 8.250 nan 0.000 0.436 362 S N -0.149 114.886 115.700 -1.108 0.000 2.502 362 S HA 0.499 4.975 4.470 0.010 0.000 0.304 362 S C 0.273 174.396 174.600 -0.795 0.000 1.097 362 S CA -0.561 56.872 58.200 -1.278 0.000 1.045 362 S CB 1.128 63.022 63.200 -2.177 0.000 1.019 362 S HN 0.791 nan 8.310 nan 0.000 0.481 363 G N 2.004 110.471 108.800 -0.555 0.000 3.233 363 G HA2 0.187 4.152 3.960 0.010 0.000 0.234 363 G HA3 0.187 4.152 3.960 0.010 0.000 0.234 363 G C -0.115 174.614 174.900 -0.284 0.000 1.137 363 G CA -0.208 44.671 45.100 -0.369 0.000 0.763 363 G HN 0.780 nan 8.290 nan 0.000 0.549 364 D N -0.633 119.567 120.400 -0.333 0.000 2.895 364 D HA 0.172 4.818 4.640 0.010 0.000 0.350 364 D C -0.195 175.936 176.300 -0.282 0.000 1.389 364 D CA -0.849 53.028 54.000 -0.206 0.000 0.812 364 D CB -0.151 40.630 40.800 -0.032 0.000 1.164 364 D HN -0.038 nan 8.370 nan 0.000 0.455 365 D N 0.263 120.453 120.400 -0.351 0.000 2.772 365 D HA -0.123 4.523 4.640 0.010 0.000 0.233 365 D C 1.334 177.427 176.300 -0.344 0.000 1.143 365 D CA 1.575 55.391 54.000 -0.307 0.000 0.700 365 D CB -1.460 39.233 40.800 -0.178 0.000 1.076 365 D HN 0.756 nan 8.370 nan 0.000 0.430 366 G N -0.692 107.751 108.800 -0.595 0.000 2.176 366 G HA2 -0.391 3.575 3.960 0.010 0.000 0.232 366 G HA3 -0.391 3.575 3.960 0.010 0.000 0.232 366 G C 0.932 175.378 174.900 -0.757 0.000 0.986 366 G CA 0.583 45.337 45.100 -0.577 0.000 0.643 366 G HN 0.469 nan 8.290 nan 0.000 0.522 367 Q N -0.558 118.866 119.800 -0.627 0.000 2.172 367 Q HA 0.102 4.448 4.340 0.010 0.000 0.200 367 Q C 0.759 176.662 176.000 -0.163 0.000 0.964 367 Q CA 1.529 57.067 55.803 -0.442 0.000 0.855 367 Q CB 0.227 28.677 28.738 -0.480 0.000 0.918 367 Q HN 0.420 nan 8.270 nan 0.000 0.444 368 T N -0.624 113.772 114.554 -0.264 0.000 2.956 368 T HA 0.423 4.779 4.350 0.010 0.000 0.312 368 T C -2.025 172.426 174.700 -0.416 0.000 1.151 368 T CA -0.602 61.440 62.100 -0.097 0.000 1.024 368 T CB 0.932 69.858 68.868 0.097 0.000 1.140 368 T HN 0.102 nan 8.240 nan 0.000 0.473 369 W N 1.725 122.933 121.300 -0.153 0.000 2.882 369 W HA 0.631 5.298 4.660 0.011 0.000 0.345 369 W C 0.499 176.941 176.519 -0.128 0.000 1.125 369 W CA -0.711 56.533 57.345 -0.168 0.000 1.167 369 W CB 1.197 30.548 29.460 -0.183 0.000 1.431 369 W HN 0.697 nan 8.180 nan 0.000 0.543 370 S N -0.386 115.363 115.700 0.082 0.000 2.645 370 S HA 0.483 4.959 4.470 0.010 0.000 0.266 370 S C 0.022 174.666 174.600 0.072 0.000 1.258 370 S CA -0.690 57.528 58.200 0.029 0.000 0.990 370 S CB 0.662 63.851 63.200 -0.019 0.000 0.967 370 S HN 0.348 nan 8.310 nan 0.000 0.556 371 T N 3.668 118.245 114.554 0.039 0.000 2.902 371 T HA 0.247 4.602 4.350 0.010 0.000 0.301 371 T C -2.313 172.430 174.700 0.072 0.000 1.012 371 T CA -0.278 61.840 62.100 0.031 0.000 1.151 371 T CB -0.292 68.566 68.868 -0.017 0.000 0.946 371 T HN 0.508 nan 8.240 nan 0.000 0.542 372 P HA 0.113 nan 4.420 nan 0.000 0.264 372 P C -0.311 177.002 177.300 0.022 0.000 1.183 372 P CA 0.040 63.238 63.100 0.164 0.000 0.763 372 P CB 0.461 32.293 31.700 0.220 0.000 0.807 373 E N 2.597 122.857 120.200 0.100 0.000 2.187 373 E HA 0.220 4.576 4.350 0.010 0.000 0.268 373 E C -1.039 175.553 176.600 -0.013 0.000 0.896 373 E CA -0.768 55.623 56.400 -0.014 0.000 0.766 373 E CB 0.657 30.426 29.700 0.116 0.000 1.142 373 E HN 0.277 nan 8.360 nan 0.000 0.408 374 W N 5.787 127.000 121.300 -0.145 0.000 2.311 374 W HA 0.203 4.869 4.660 0.010 0.000 0.310 374 W C 0.628 177.073 176.519 -0.123 0.000 1.274 374 W CA -0.571 56.669 57.345 -0.174 0.000 1.215 374 W CB 0.405 29.724 29.460 -0.234 0.000 1.227 374 W HN 0.693 nan 8.180 nan 0.000 0.523 375 L N 2.274 123.522 121.223 0.042 0.000 2.354 375 L HA 0.055 4.401 4.340 0.010 0.000 0.212 375 L C 1.256 178.203 176.870 0.129 0.000 1.091 375 L CA 0.736 55.602 54.840 0.042 0.000 0.828 375 L CB -0.434 41.531 42.059 -0.156 0.000 0.973 375 L HN 0.288 nan 8.230 nan 0.000 0.461 376 T N -3.888 110.685 114.554 0.031 0.000 2.908 376 T HA 0.424 4.780 4.350 0.010 0.000 0.290 376 T C -0.534 174.245 174.700 0.131 0.000 1.034 376 T CA -0.931 61.154 62.100 -0.024 0.000 1.010 376 T CB 2.500 71.194 68.868 -0.289 0.000 1.068 376 T HN -0.183 nan 8.240 nan 0.000 0.481 377 D N 0.861 121.348 120.400 0.145 0.000 2.388 377 D HA 0.353 4.999 4.640 0.010 0.000 0.254 377 D C 0.490 176.794 176.300 0.006 0.000 1.111 377 D CA -0.511 53.568 54.000 0.132 0.000 0.993 377 D CB 1.123 42.013 40.800 0.149 0.000 1.118 377 D HN 0.508 nan 8.370 nan 0.000 0.502 378 L N 1.386 122.479 121.223 -0.216 0.000 2.525 378 L HA -0.036 4.310 4.340 0.010 0.000 0.278 378 L C 1.325 178.164 176.870 -0.053 0.000 1.218 378 L CA 0.206 54.861 54.840 -0.307 0.000 0.878 378 L CB 0.086 41.794 42.059 -0.584 0.000 1.127 378 L HN 0.329 nan 8.230 nan 0.000 0.492 379 H N 5.223 124.159 119.070 -0.222 0.000 3.038 379 H HA -0.025 4.537 4.556 0.010 0.000 0.338 379 H C -1.653 173.636 175.328 -0.065 0.000 1.041 379 H CA -0.910 54.952 56.048 -0.310 0.000 1.394 379 H CB 1.329 30.741 29.762 -0.582 0.000 1.357 379 H HN 0.374 nan 8.280 nan 0.000 0.600 380 P HA -0.126 nan 4.420 nan 0.000 0.217 380 P C 0.366 177.746 177.300 0.134 0.000 1.148 380 P CA 1.366 64.452 63.100 -0.022 0.000 0.828 380 P CB 0.308 31.942 31.700 -0.110 0.000 0.783 381 D N -2.954 117.655 120.400 0.349 0.000 2.358 381 D HA 0.023 4.669 4.640 0.010 0.000 0.224 381 D C 0.230 176.589 176.300 0.098 0.000 1.123 381 D CA -0.320 53.797 54.000 0.196 0.000 0.833 381 D CB -0.668 40.216 40.800 0.141 0.000 0.946 381 D HN 0.195 nan 8.370 nan 0.000 0.505 382 Y N 2.887 123.194 120.300 0.012 0.000 2.712 382 Y HA 0.036 4.591 4.550 0.010 0.000 0.333 382 Y C -1.150 174.733 175.900 -0.029 0.000 1.225 382 Y CA -0.863 57.208 58.100 -0.048 0.000 1.499 382 Y CB 0.888 39.317 38.460 -0.052 0.000 1.288 382 Y HN -0.047 nan 8.280 nan 0.000 0.575 383 P HA 0.112 nan 4.420 nan 0.000 0.254 383 P C 0.487 177.464 177.300 -0.538 0.000 1.494 383 P CA 0.287 62.797 63.100 -0.984 0.000 0.961 383 P CB 0.350 31.595 31.700 -0.760 0.000 1.493 384 T N -0.560 113.808 114.554 -0.310 0.000 2.812 384 T HA 0.042 4.397 4.350 0.010 0.000 0.264 384 T C 1.101 175.642 174.700 -0.266 0.000 1.042 384 T CA 1.132 63.091 62.100 -0.235 0.000 1.140 384 T CB -0.149 68.624 68.868 -0.159 0.000 0.870 384 T HN 0.141 nan 8.240 nan 0.000 0.445 385 V N -1.187 118.546 119.914 -0.302 0.000 3.130 385 V HA 0.735 4.861 4.120 0.010 0.000 0.310 385 V C -1.101 174.801 176.094 -0.320 0.000 1.158 385 V CA -1.249 60.833 62.300 -0.362 0.000 1.029 385 V CB 2.297 33.805 31.823 -0.525 0.000 1.057 385 V HN 0.321 nan 8.190 nan 0.000 0.436 386 N N -0.663 117.848 118.700 -0.315 0.000 3.020 386 N HA 0.506 5.251 4.740 0.010 0.000 0.248 386 N C -1.761 173.578 175.510 -0.286 0.000 1.480 386 N CA -0.634 52.272 53.050 -0.241 0.000 0.874 386 N CB 2.121 40.616 38.487 0.013 0.000 1.433 386 N HN 0.705 nan 8.380 nan 0.000 0.530 387 Y N 0.508 120.765 120.300 -0.073 0.000 2.281 387 Y HA 0.363 4.919 4.550 0.010 0.000 0.337 387 Y C 0.541 176.375 175.900 -0.109 0.000 1.304 387 Y CA 0.247 58.266 58.100 -0.135 0.000 1.465 387 Y CB 0.418 38.731 38.460 -0.244 0.000 1.350 387 Y HN 0.341 nan 8.280 nan 0.000 0.575 388 H N -0.349 118.682 119.070 -0.065 0.000 3.121 388 H HA 0.365 4.926 4.556 0.010 0.000 0.337 388 H C -1.975 173.257 175.328 -0.161 0.000 1.198 388 H CA -0.835 55.125 56.048 -0.147 0.000 1.274 388 H CB 1.684 31.353 29.762 -0.154 0.000 1.954 388 H HN 0.821 nan 8.280 nan 0.000 0.531 389 C N 6.434 125.407 119.300 -0.546 0.000 2.752 389 C HA 0.458 4.924 4.460 0.010 0.000 0.360 389 C C -0.006 174.810 174.990 -0.290 0.000 1.081 389 C CA -0.372 58.453 59.018 -0.322 0.000 1.272 389 C CB 0.382 27.957 27.740 -0.275 0.000 1.754 389 C HN 0.947 nan 8.230 nan 0.000 0.483 390 M N 3.429 122.968 119.600 -0.101 0.000 2.414 390 M HA 0.244 4.730 4.480 0.010 0.000 0.357 390 M C 0.232 176.554 176.300 0.036 0.000 1.059 390 M CA 0.289 55.601 55.300 0.020 0.000 0.959 390 M CB 0.742 33.458 32.600 0.193 0.000 1.522 390 M HN 0.626 nan 8.290 nan 0.000 0.551 391 S N 1.567 117.297 115.700 0.049 0.000 2.647 391 S HA 0.802 5.278 4.470 0.010 0.000 0.300 391 S C -1.040 173.584 174.600 0.041 0.000 1.129 391 S CA -0.485 57.779 58.200 0.106 0.000 1.029 391 S CB 1.289 64.612 63.200 0.205 0.000 1.007 391 S HN 0.391 nan 8.310 nan 0.000 0.484 392 M N 4.402 123.982 119.600 -0.035 0.000 2.490 392 M HA 0.646 5.132 4.480 0.010 0.000 0.286 392 M C -0.894 174.979 176.300 -0.712 0.000 1.185 392 M CA -0.102 55.031 55.300 -0.279 0.000 0.912 392 M CB 1.738 34.304 32.600 -0.056 0.000 1.744 392 M HN 0.903 nan 8.290 nan 0.000 0.494 393 G N 1.300 109.299 108.800 -1.335 0.000 2.340 393 G HA2 0.529 4.495 3.960 0.010 0.000 0.299 393 G HA3 0.529 4.495 3.960 0.010 0.000 0.299 393 G C -2.395 171.688 174.900 -1.362 0.000 1.291 393 G CA -0.585 43.548 45.100 -1.613 0.000 0.841 393 G HN 0.657 nan 8.290 nan 0.000 0.500 394 V N -0.404 119.013 119.914 -0.828 0.000 2.540 394 V HA 0.632 4.758 4.120 0.010 0.000 0.302 394 V C -0.523 175.619 176.094 0.080 0.000 1.035 394 V CA -0.654 61.411 62.300 -0.392 0.000 0.873 394 V CB 1.276 32.840 31.823 -0.432 0.000 0.992 394 V HN 1.084 nan 8.190 nan 0.000 0.428 395 C N 6.161 125.640 119.300 0.299 0.000 2.397 395 C HA 0.685 5.151 4.460 0.010 0.000 0.325 395 C C 0.698 176.009 174.990 0.534 0.000 1.201 395 C CA -0.704 58.586 59.018 0.452 0.000 1.377 395 C CB 0.297 28.364 27.740 0.546 0.000 2.038 395 C HN 1.034 nan 8.230 nan 0.000 0.457 396 R N 4.212 124.923 120.500 0.352 0.000 3.251 396 R HA -0.219 4.127 4.340 0.010 0.000 0.249 396 R C 0.553 177.012 176.300 0.265 0.000 0.949 396 R CA 1.381 57.623 56.100 0.237 0.000 0.645 396 R CB -1.861 28.446 30.300 0.011 0.000 1.065 396 R HN 1.097 nan 8.270 nan 0.000 0.452 397 N N -1.866 116.964 118.700 0.216 0.000 2.800 397 N HA -0.233 4.513 4.740 0.010 0.000 0.250 397 N C -0.792 174.688 175.510 -0.050 0.000 1.078 397 N CA 1.542 54.667 53.050 0.124 0.000 0.804 397 N CB -0.424 38.166 38.487 0.171 0.000 1.135 397 N HN 0.537 nan 8.380 nan 0.000 0.565 398 R N 0.373 120.869 120.500 -0.007 0.000 2.599 398 R HA 0.478 4.824 4.340 0.010 0.000 0.295 398 R C -0.794 175.343 176.300 -0.271 0.000 0.963 398 R CA -1.020 54.962 56.100 -0.197 0.000 0.883 398 R CB 1.694 31.812 30.300 -0.303 0.000 1.171 398 R HN 0.027 nan 8.270 nan 0.000 0.450 399 L N 3.267 124.278 121.223 -0.354 0.000 2.360 399 L HA 0.343 4.689 4.340 0.010 0.000 0.276 399 L C -1.285 175.376 176.870 -0.349 0.000 1.121 399 L CA 0.587 55.225 54.840 -0.337 0.000 0.845 399 L CB 0.162 42.155 42.059 -0.110 0.000 1.143 399 L HN 0.406 nan 8.230 nan 0.000 0.452 400 F N 4.253 124.006 119.950 -0.328 0.000 2.495 400 F HA 0.780 5.313 4.527 0.010 0.000 0.327 400 F C 0.209 175.841 175.800 -0.279 0.000 1.103 400 F CA -0.319 57.530 58.000 -0.252 0.000 0.949 400 F CB 1.974 40.717 39.000 -0.428 0.000 1.142 400 F HN 0.610 nan 8.300 nan 0.000 0.457 401 A N 3.314 126.160 122.820 0.044 0.000 2.455 401 A HA 0.708 5.034 4.320 0.010 0.000 0.300 401 A C -1.381 176.159 177.584 -0.072 0.000 1.040 401 A CA -0.745 51.255 52.037 -0.061 0.000 0.697 401 A CB 1.446 20.366 19.000 -0.133 0.000 1.265 401 A HN 0.696 nan 8.150 nan 0.000 0.407 402 M N 3.804 123.367 119.600 -0.062 0.000 2.201 402 M HA 0.369 4.855 4.480 0.010 0.000 0.345 402 M C -1.112 175.060 176.300 -0.213 0.000 1.352 402 M CA -0.607 54.648 55.300 -0.075 0.000 1.218 402 M CB -0.461 32.160 32.600 0.036 0.000 1.512 402 M HN 0.458 nan 8.290 nan 0.000 0.447 403 I N 5.040 125.352 120.570 -0.430 0.000 2.301 403 I HA 0.226 4.402 4.170 0.010 0.000 0.292 403 I C 0.219 176.155 176.117 -0.301 0.000 1.046 403 I CA -0.074 60.834 61.300 -0.653 0.000 1.282 403 I CB 0.076 37.061 38.000 -1.691 0.000 1.409 403 I HN 0.661 nan 8.210 nan 0.000 0.484 404 E N 4.091 124.222 120.200 -0.116 0.000 2.248 404 E HA 0.464 4.820 4.350 0.010 0.000 0.272 404 E C -0.433 176.197 176.600 0.051 0.000 1.008 404 E CA -0.579 55.820 56.400 -0.001 0.000 0.856 404 E CB 1.396 31.126 29.700 0.051 0.000 1.120 404 E HN 0.404 nan 8.360 nan 0.000 0.397 405 T N 2.347 116.901 114.554 0.001 0.000 2.797 405 T HA 0.467 4.823 4.350 0.010 0.000 0.279 405 T C -0.373 174.233 174.700 -0.156 0.000 0.991 405 T CA -0.748 61.291 62.100 -0.102 0.000 0.979 405 T CB 0.724 69.510 68.868 -0.137 0.000 0.943 405 T HN 0.284 nan 8.240 nan 0.000 0.444 406 R N 1.047 121.423 120.500 -0.206 0.000 2.795 406 R HA 0.595 4.941 4.340 0.010 0.000 0.275 406 R C -0.152 176.016 176.300 -0.220 0.000 0.981 406 R CA -1.038 54.936 56.100 -0.210 0.000 0.917 406 R CB 1.514 31.661 30.300 -0.255 0.000 1.202 406 R HN 0.725 nan 8.270 nan 0.000 0.469 407 T N -0.490 113.950 114.554 -0.190 0.000 2.907 407 T HA 0.137 4.493 4.350 0.010 0.000 0.298 407 T C 1.251 175.848 174.700 -0.172 0.000 1.017 407 T CA -0.598 61.394 62.100 -0.180 0.000 1.118 407 T CB 0.695 69.477 68.868 -0.143 0.000 0.948 407 T HN 0.341 nan 8.240 nan 0.000 0.531 408 L N 2.647 123.760 121.223 -0.184 0.000 2.093 408 L HA 0.090 4.435 4.340 0.010 0.000 0.208 408 L C 2.911 179.706 176.870 -0.125 0.000 1.085 408 L CA 2.018 56.759 54.840 -0.165 0.000 0.755 408 L CB -1.205 40.723 42.059 -0.219 0.000 0.904 408 L HN 0.983 nan 8.230 nan 0.000 0.435 409 A N -0.832 121.917 122.820 -0.118 0.000 1.877 409 A HA -0.193 4.132 4.320 0.010 0.000 0.216 409 A C 2.178 179.719 177.584 -0.071 0.000 1.186 409 A CA 1.884 53.870 52.037 -0.085 0.000 0.620 409 A CB -0.183 18.770 19.000 -0.079 0.000 0.822 409 A HN 0.402 nan 8.150 nan 0.000 0.443 410 K N -2.743 117.608 120.400 -0.082 0.000 2.477 410 K HA 0.112 4.438 4.320 0.010 0.000 0.208 410 K C 0.122 176.670 176.600 -0.087 0.000 1.117 410 K CA 0.269 56.515 56.287 -0.069 0.000 1.039 410 K CB 0.704 33.170 32.500 -0.057 0.000 0.937 410 K HN 0.332 nan 8.250 nan 0.000 0.570 411 N N 1.181 119.809 118.700 -0.119 0.000 2.714 411 N HA -0.189 4.557 4.740 0.010 0.000 0.250 411 N C -0.921 174.490 175.510 -0.165 0.000 1.117 411 N CA 0.810 53.762 53.050 -0.164 0.000 0.719 411 N CB -1.003 37.386 38.487 -0.164 0.000 1.081 411 N HN 0.350 nan 8.380 nan 0.000 0.557 412 A N 0.186 122.927 122.820 -0.132 0.000 2.366 412 A HA 0.488 4.814 4.320 0.010 0.000 0.272 412 A C 0.402 177.910 177.584 -0.127 0.000 1.135 412 A CA -0.459 51.511 52.037 -0.112 0.000 0.804 412 A CB 0.486 19.437 19.000 -0.083 0.000 1.064 412 A HN 0.446 nan 8.150 nan 0.000 0.499 413 L N 2.795 123.950 121.223 -0.114 0.000 2.410 413 L HA 0.366 4.712 4.340 0.010 0.000 0.273 413 L C 1.142 177.963 176.870 -0.081 0.000 1.152 413 L CA 1.282 56.059 54.840 -0.105 0.000 0.855 413 L CB 1.001 43.012 42.059 -0.081 0.000 1.129 413 L HN 0.736 nan 8.230 nan 0.000 0.463 414 T N 3.977 118.479 114.554 -0.086 0.000 2.959 414 T HA 0.260 4.616 4.350 0.010 0.000 0.254 414 T C 0.184 174.858 174.700 -0.043 0.000 1.003 414 T CA -0.004 62.053 62.100 -0.072 0.000 0.950 414 T CB -0.251 68.555 68.868 -0.103 0.000 1.090 414 T HN 0.718 nan 8.240 nan 0.000 0.503 415 N N -0.207 118.472 118.700 -0.033 0.000 2.710 415 N HA 0.279 5.025 4.740 0.010 0.000 0.257 415 N C -1.968 173.546 175.510 0.007 0.000 1.140 415 N CA -0.366 52.685 53.050 0.002 0.000 0.953 415 N CB 1.609 40.117 38.487 0.034 0.000 1.664 415 N HN 0.112 nan 8.380 nan 0.000 0.497 416 C N 1.733 121.039 119.300 0.011 0.000 2.455 416 C HA 0.950 5.416 4.460 0.010 0.000 0.320 416 C C 0.026 175.041 174.990 0.041 0.000 1.226 416 C CA -0.438 58.580 59.018 0.001 0.000 1.569 416 C CB 0.341 28.053 27.740 -0.048 0.000 2.200 416 C HN 0.733 nan 8.230 nan 0.000 0.491 417 A N 2.336 125.187 122.820 0.050 0.000 2.449 417 A HA 0.778 5.103 4.320 0.010 0.000 0.302 417 A C -1.340 176.329 177.584 0.142 0.000 1.048 417 A CA -0.439 51.689 52.037 0.152 0.000 0.708 417 A CB 0.958 20.157 19.000 0.331 0.000 1.274 417 A HN 0.842 nan 8.150 nan 0.000 0.410 418 L N 2.298 123.647 121.223 0.209 0.000 2.260 418 L HA 0.654 5.000 4.340 0.010 0.000 0.289 418 L C -1.412 175.679 176.870 0.369 0.000 1.057 418 L CA -0.115 54.853 54.840 0.213 0.000 0.811 418 L CB -0.013 42.154 42.059 0.180 0.000 1.184 418 L HN 0.636 nan 8.230 nan 0.000 0.429 419 W N 3.865 125.110 121.300 -0.092 0.000 2.520 419 W HA 0.526 5.193 4.660 0.011 0.000 0.323 419 W C -0.567 175.945 176.519 -0.011 0.000 1.062 419 W CA -1.093 56.168 57.345 -0.139 0.000 1.215 419 W CB 1.406 30.533 29.460 -0.555 0.000 1.340 419 W HN 0.669 nan 8.180 nan 0.000 0.516 420 D N 0.653 121.195 120.400 0.237 0.000 2.661 420 D HA 0.758 5.404 4.640 0.010 0.000 0.228 420 D C -1.131 175.110 176.300 -0.098 0.000 1.183 420 D CA -1.041 52.903 54.000 -0.095 0.000 0.844 420 D CB 2.058 42.304 40.800 -0.923 0.000 1.555 420 D HN 0.289 nan 8.370 nan 0.000 0.453 421 R N 0.356 120.646 120.500 -0.350 0.000 2.668 421 R HA 0.499 4.845 4.340 0.010 0.000 0.272 421 R C -2.821 173.242 176.300 -0.394 0.000 1.019 421 R CA -2.108 53.660 56.100 -0.552 0.000 0.894 421 R CB 2.286 31.864 30.300 -1.202 0.000 1.228 421 R HN 0.392 nan 8.270 nan 0.000 0.460 422 P HA 0.095 nan 4.420 nan 0.000 0.275 422 P C -0.653 176.585 177.300 -0.104 0.000 1.228 422 P CA -0.190 62.771 63.100 -0.232 0.000 0.786 422 P CB 0.687 32.264 31.700 -0.205 0.000 0.927 423 M N 1.065 120.578 119.600 -0.145 0.000 2.250 423 M HA 0.153 4.639 4.480 0.010 0.000 0.344 423 M C 0.631 176.932 176.300 0.002 0.000 1.150 423 M CA 0.049 55.252 55.300 -0.162 0.000 1.147 423 M CB -0.012 32.211 32.600 -0.629 0.000 1.498 423 M HN 0.266 nan 8.290 nan 0.000 0.461 424 S N 3.765 119.497 115.700 0.054 0.000 2.533 424 S HA 0.420 4.896 4.470 0.010 0.000 0.282 424 S C -0.023 174.666 174.600 0.148 0.000 1.304 424 S CA -0.402 57.855 58.200 0.095 0.000 1.063 424 S CB 0.307 63.569 63.200 0.104 0.000 0.881 424 S HN 0.515 nan 8.310 nan 0.000 0.493 425 R N 1.303 121.867 120.500 0.106 0.000 2.707 425 R HA 0.600 4.946 4.340 0.010 0.000 0.272 425 R C -1.426 174.876 176.300 0.002 0.000 1.011 425 R CA -0.786 55.359 56.100 0.075 0.000 0.893 425 R CB 1.463 31.812 30.300 0.080 0.000 1.233 425 R HN 0.441 nan 8.270 nan 0.000 0.464 426 S N 1.638 117.302 115.700 -0.059 0.000 2.454 426 S HA 0.549 5.025 4.470 0.010 0.000 0.306 426 S C -0.662 173.714 174.600 -0.374 0.000 1.100 426 S CA -0.807 57.284 58.200 -0.181 0.000 1.087 426 S CB 0.818 63.933 63.200 -0.141 0.000 1.019 426 S HN 0.295 nan 8.310 nan 0.000 0.480 427 L N 4.068 125.019 121.223 -0.453 0.000 2.341 427 L HA 0.508 4.854 4.340 0.010 0.000 0.278 427 L C -0.598 175.884 176.870 -0.647 0.000 1.005 427 L CA -0.758 53.795 54.840 -0.478 0.000 0.818 427 L CB 1.282 43.170 42.059 -0.286 0.000 1.259 427 L HN 0.622 nan 8.230 nan 0.000 0.418 428 H N 5.272 124.248 119.070 -0.157 0.000 2.673 428 H HA 0.517 5.079 4.556 0.010 0.000 0.293 428 H C -0.721 174.402 175.328 -0.342 0.000 1.065 428 H CA -0.366 55.562 56.048 -0.200 0.000 1.236 428 H CB 1.225 30.985 29.762 -0.005 0.000 1.389 428 H HN 0.370 nan 8.280 nan 0.000 0.481 429 L N 1.563 122.432 121.223 -0.591 0.000 2.303 429 L HA 0.523 4.869 4.340 0.010 0.000 0.266 429 L C 0.314 176.934 176.870 -0.416 0.000 1.011 429 L CA -0.765 53.738 54.840 -0.560 0.000 0.818 429 L CB 2.147 43.712 42.059 -0.823 0.000 1.326 429 L HN 0.352 nan 8.230 nan 0.000 0.435 430 T N 0.765 115.282 114.554 -0.062 0.000 2.840 430 T HA 0.626 4.982 4.350 0.010 0.000 0.287 430 T C 0.136 174.999 174.700 0.271 0.000 0.991 430 T CA 0.071 62.246 62.100 0.126 0.000 0.964 430 T CB 1.509 70.416 68.868 0.066 0.000 0.954 430 T HN 1.056 nan 8.240 nan 0.000 0.438 431 G N 1.994 111.028 108.800 0.389 0.000 2.697 431 G HA2 0.214 4.180 3.960 0.010 0.000 0.240 431 G HA3 0.214 4.180 3.960 0.010 0.000 0.240 431 G C 0.779 175.899 174.900 0.366 0.000 1.346 431 G CA 0.319 45.580 45.100 0.268 0.000 0.887 431 G HN 1.997 nan 8.290 nan 0.000 0.569 432 G N -2.174 106.722 108.800 0.160 0.000 2.176 432 G HA2 -0.098 3.868 3.960 0.010 0.000 0.232 432 G HA3 -0.098 3.868 3.960 0.010 0.000 0.232 432 G C 0.341 175.271 174.900 0.050 0.000 0.986 432 G CA 0.678 45.880 45.100 0.171 0.000 0.643 432 G HN 1.552 nan 8.290 nan 0.000 0.522 433 I N 2.514 123.007 120.570 -0.128 0.000 2.339 433 I HA 0.531 4.707 4.170 0.010 0.000 0.290 433 I C 0.473 176.478 176.117 -0.188 0.000 0.994 433 I CA -0.241 60.902 61.300 -0.262 0.000 1.191 433 I CB 1.762 39.440 38.000 -0.537 0.000 1.343 433 I HN 0.225 nan 8.210 nan 0.000 0.458 434 T N 2.546 117.008 114.554 -0.153 0.000 2.907 434 T HA 0.549 4.905 4.350 0.010 0.000 0.292 434 T C -0.661 173.970 174.700 -0.115 0.000 1.043 434 T CA -1.018 61.013 62.100 -0.114 0.000 1.003 434 T CB 2.592 71.416 68.868 -0.073 0.000 1.084 434 T HN 0.542 nan 8.240 nan 0.000 0.483 435 K N 1.160 121.503 120.400 -0.095 0.000 2.668 435 K HA 0.609 4.935 4.320 0.010 0.000 0.246 435 K C -0.578 175.991 176.600 -0.052 0.000 0.976 435 K CA -0.654 55.586 56.287 -0.078 0.000 0.902 435 K CB 1.538 33.975 32.500 -0.104 0.000 1.172 435 K HN 0.959 nan 8.250 nan 0.000 0.452 436 A N 2.625 125.427 122.820 -0.030 0.000 2.407 436 A HA 0.549 4.875 4.320 0.010 0.000 0.248 436 A C 0.157 177.730 177.584 -0.019 0.000 1.082 436 A CA -0.076 51.948 52.037 -0.022 0.000 0.785 436 A CB 0.456 19.449 19.000 -0.012 0.000 1.020 436 A HN 0.827 nan 8.150 nan 0.000 0.489 437 A N 2.397 125.206 122.820 -0.020 0.000 2.498 437 A HA 0.405 4.731 4.320 0.010 0.000 0.239 437 A C 0.861 178.439 177.584 -0.011 0.000 1.068 437 A CA 0.363 52.389 52.037 -0.019 0.000 0.766 437 A CB -0.343 18.646 19.000 -0.018 0.000 1.003 437 A HN 1.321 nan 8.150 nan 0.000 0.497 438 N N -0.972 117.720 118.700 -0.012 0.000 2.818 438 N HA -0.171 4.575 4.740 0.010 0.000 0.250 438 N C -0.289 175.223 175.510 0.004 0.000 1.108 438 N CA 1.725 54.771 53.050 -0.007 0.000 0.745 438 N CB -1.544 36.940 38.487 -0.005 0.000 1.104 438 N HN 1.061 nan 8.380 nan 0.000 0.557 439 Q N -1.888 117.917 119.800 0.007 0.000 2.590 439 Q HA 0.606 4.952 4.340 0.010 0.000 0.295 439 Q C 0.050 176.058 176.000 0.014 0.000 0.973 439 Q CA -0.819 55.005 55.803 0.034 0.000 0.768 439 Q CB 0.737 29.518 28.738 0.072 0.000 1.479 439 Q HN 0.021 nan 8.270 nan 0.000 0.419 440 R N -0.724 119.784 120.500 0.013 0.000 2.397 440 R HA 0.296 4.642 4.340 0.010 0.000 0.241 440 R C -0.381 175.796 176.300 -0.206 0.000 0.914 440 R CA -0.023 56.005 56.100 -0.120 0.000 1.071 440 R CB 0.452 30.637 30.300 -0.193 0.000 1.116 440 R HN 0.463 nan 8.270 nan 0.000 0.524 441 Y N 0.779 121.042 120.300 -0.063 0.000 2.301 441 Y HA 0.462 5.018 4.550 0.010 0.000 0.325 441 Y C 0.459 176.298 175.900 -0.103 0.000 1.203 441 Y CA -0.756 57.301 58.100 -0.072 0.000 1.255 441 Y CB 1.263 39.695 38.460 -0.046 0.000 1.232 441 Y HN -0.033 nan 8.280 nan 0.000 0.501 442 A N 1.361 124.186 122.820 0.009 0.000 2.365 442 A HA 0.642 4.968 4.320 0.010 0.000 0.318 442 A C -0.417 177.107 177.584 -0.099 0.000 1.091 442 A CA -0.664 51.315 52.037 -0.096 0.000 0.763 442 A CB 0.890 19.754 19.000 -0.226 0.000 1.248 442 A HN 0.675 nan 8.150 nan 0.000 0.442 443 T N 0.815 115.297 114.554 -0.120 0.000 2.829 443 T HA 0.653 5.009 4.350 0.010 0.000 0.282 443 T C -0.426 174.136 174.700 -0.231 0.000 0.990 443 T CA -0.552 61.454 62.100 -0.157 0.000 1.028 443 T CB 0.317 69.137 68.868 -0.079 0.000 0.951 443 T HN 0.419 nan 8.240 nan 0.000 0.460 444 I N 4.389 124.715 120.570 -0.407 0.000 2.389 444 I HA 0.281 4.457 4.170 0.010 0.000 0.288 444 I C 0.217 176.182 176.117 -0.253 0.000 0.999 444 I CA -0.808 60.257 61.300 -0.392 0.000 1.129 444 I CB 1.251 38.835 38.000 -0.694 0.000 1.288 444 I HN 0.842 nan 8.210 nan 0.000 0.444 445 H N 6.645 125.689 119.070 -0.043 0.000 2.705 445 H HA 0.495 5.057 4.556 0.010 0.000 0.291 445 H C -1.532 173.903 175.328 0.178 0.000 1.085 445 H CA -0.192 55.897 56.048 0.068 0.000 1.357 445 H CB 1.207 31.019 29.762 0.083 0.000 1.419 445 H HN 0.344 nan 8.280 nan 0.000 0.462 446 V N 8.638 128.524 119.914 -0.047 0.000 2.445 446 V HA 0.182 4.308 4.120 0.010 0.000 0.283 446 V C -2.319 173.795 176.094 0.033 0.000 1.014 446 V CA -1.670 60.692 62.300 0.102 0.000 0.852 446 V CB 1.582 33.610 31.823 0.342 0.000 1.021 446 V HN 0.754 nan 8.190 nan 0.000 0.435 447 P HA 0.085 nan 4.420 nan 0.000 0.262 447 P C 0.042 177.331 177.300 -0.019 0.000 1.182 447 P CA 0.509 63.568 63.100 -0.067 0.000 0.761 447 P CB 0.199 31.900 31.700 0.002 0.000 0.795 448 D N 1.537 121.882 120.400 -0.091 0.000 2.704 448 D HA -0.215 4.431 4.640 0.010 0.000 0.232 448 D C 1.261 177.473 176.300 -0.146 0.000 1.183 448 D CA 0.781 54.677 54.000 -0.174 0.000 0.647 448 D CB -0.974 39.766 40.800 -0.101 0.000 1.013 448 D HN 0.709 nan 8.370 nan 0.000 0.415 449 H N -0.811 118.262 119.070 0.006 0.000 2.421 449 H HA 0.006 4.567 4.556 0.010 0.000 0.298 449 H C 1.770 177.080 175.328 -0.030 0.000 1.087 449 H CA 1.281 57.342 56.048 0.021 0.000 1.330 449 H CB -0.161 29.661 29.762 0.100 0.000 1.388 449 H HN 0.404 nan 8.280 nan 0.000 0.526 450 G N 1.313 109.978 108.800 -0.224 0.000 2.179 450 G HA2 -0.280 3.686 3.960 0.010 0.000 0.257 450 G HA3 -0.280 3.686 3.960 0.010 0.000 0.257 450 G C 0.012 174.852 174.900 -0.101 0.000 1.010 450 G CA 0.563 45.653 45.100 -0.015 0.000 0.736 450 G HN 0.404 nan 8.290 nan 0.000 0.513 451 L N -0.800 120.481 121.223 0.097 0.000 2.344 451 L HA 0.809 5.155 4.340 0.010 0.000 0.272 451 L C 0.332 177.122 176.870 -0.133 0.000 1.035 451 L CA -1.200 53.542 54.840 -0.163 0.000 0.807 451 L CB 0.953 42.832 42.059 -0.300 0.000 1.237 451 L HN -0.033 nan 8.230 nan 0.000 0.442 452 F N -0.040 119.922 119.950 0.021 0.000 2.557 452 F HA 0.431 4.964 4.527 0.010 0.000 0.336 452 F C 0.290 176.082 175.800 -0.015 0.000 1.058 452 F CA -1.278 56.741 58.000 0.032 0.000 0.988 452 F CB 1.073 40.081 39.000 0.013 0.000 1.275 452 F HN -0.060 nan 8.300 nan 0.000 0.488 453 V N 1.686 121.746 119.914 0.243 0.000 2.644 453 V HA 0.274 4.400 4.120 0.010 0.000 0.305 453 V C 0.997 177.147 176.094 0.094 0.000 1.053 453 V CA 1.643 64.021 62.300 0.129 0.000 1.186 453 V CB -0.085 31.799 31.823 0.101 0.000 0.895 453 V HN 1.076 nan 8.190 nan 0.000 0.490 454 G N 3.574 112.411 108.800 0.061 0.000 2.199 454 G HA2 -0.193 3.773 3.960 0.010 0.000 0.254 454 G HA3 -0.193 3.773 3.960 0.010 0.000 0.254 454 G C -0.044 174.871 174.900 0.025 0.000 0.982 454 G CA 0.087 45.211 45.100 0.040 0.000 0.632 454 G HN 0.686 nan 8.290 nan 0.000 0.529 455 D N -0.205 120.199 120.400 0.007 0.000 2.372 455 D HA 0.445 5.091 4.640 0.010 0.000 0.243 455 D C 0.434 176.740 176.300 0.010 0.000 1.121 455 D CA -0.406 53.584 54.000 -0.018 0.000 0.898 455 D CB 0.554 41.302 40.800 -0.086 0.000 1.202 455 D HN 0.149 nan 8.370 nan 0.000 0.428 456 F N 2.095 121.989 119.950 -0.093 0.000 2.538 456 F HA 0.247 4.780 4.527 0.010 0.000 0.371 456 F C -0.111 175.648 175.800 -0.068 0.000 1.087 456 F CA -0.193 57.774 58.000 -0.056 0.000 1.250 456 F CB 0.420 39.388 39.000 -0.054 0.000 1.110 456 F HN 0.038 nan 8.300 nan 0.000 0.570 457 V N 4.549 124.074 119.914 -0.649 0.000 2.686 457 V HA 0.453 4.579 4.120 0.010 0.000 0.306 457 V C -1.093 174.562 176.094 -0.732 0.000 1.065 457 V CA -1.034 60.972 62.300 -0.490 0.000 0.894 457 V CB 1.492 33.220 31.823 -0.158 0.000 1.004 457 V HN 0.865 nan 8.190 nan 0.000 0.424 458 N N 2.936 121.333 118.700 -0.505 0.000 2.284 458 N HA 0.608 5.354 4.740 0.010 0.000 0.300 458 N C -1.927 173.425 175.510 -0.263 0.000 1.047 458 N CA -0.355 52.556 53.050 -0.231 0.000 0.821 458 N CB 2.190 40.741 38.487 0.107 0.000 1.337 458 N HN 0.631 nan 8.380 nan 0.000 0.482 459 F N 0.594 120.609 119.950 0.108 0.000 2.508 459 F HA 0.467 5.000 4.527 0.010 0.000 0.325 459 F C 0.270 176.187 175.800 0.196 0.000 1.090 459 F CA -0.521 57.597 58.000 0.197 0.000 0.945 459 F CB 2.184 41.254 39.000 0.116 0.000 1.156 459 F HN 0.243 nan 8.300 nan 0.000 0.463 460 S N 1.769 117.746 115.700 0.462 0.000 2.548 460 S HA 0.311 4.787 4.470 0.010 0.000 0.276 460 S C -0.466 174.387 174.600 0.423 0.000 1.129 460 S CA -1.124 57.300 58.200 0.374 0.000 0.931 460 S CB 1.551 64.950 63.200 0.332 0.000 1.068 460 S HN 0.775 nan 8.310 nan 0.000 0.480 461 N N 0.870 119.745 118.700 0.291 0.000 2.741 461 N HA -0.208 4.538 4.740 0.010 0.000 0.250 461 N C 1.226 176.863 175.510 0.212 0.000 1.115 461 N CA 1.024 54.221 53.050 0.245 0.000 0.724 461 N CB -1.443 37.223 38.487 0.299 0.000 1.090 461 N HN 0.818 nan 8.380 nan 0.000 0.558 462 S N -0.159 115.626 115.700 0.142 0.000 2.419 462 S HA 0.084 4.560 4.470 0.010 0.000 0.233 462 S C 1.476 175.986 174.600 -0.150 0.000 1.016 462 S CA 1.555 59.698 58.200 -0.096 0.000 0.974 462 S CB -0.131 62.931 63.200 -0.230 0.000 0.786 462 S HN 1.305 nan 8.310 nan 0.000 0.492 463 A N -0.786 121.998 122.820 -0.059 0.000 2.816 463 A HA -0.092 4.233 4.320 0.010 0.000 0.270 463 A C 0.268 177.786 177.584 -0.109 0.000 1.413 463 A CA 0.874 52.874 52.037 -0.061 0.000 0.866 463 A CB -2.374 16.606 19.000 -0.034 0.000 1.032 463 A HN 1.039 nan 8.150 nan 0.000 0.642 464 V N 1.146 120.967 119.914 -0.155 0.000 2.409 464 V HA 0.398 4.524 4.120 0.010 0.000 0.290 464 V C 0.645 176.641 176.094 -0.163 0.000 1.017 464 V CA -0.023 62.171 62.300 -0.178 0.000 0.841 464 V CB 1.619 33.285 31.823 -0.261 0.000 1.003 464 V HN 0.507 nan 8.190 nan 0.000 0.426 465 T N 3.919 118.400 114.554 -0.123 0.000 2.866 465 T HA 0.344 4.700 4.350 0.010 0.000 0.293 465 T C 1.354 175.975 174.700 -0.133 0.000 1.005 465 T CA 1.295 63.332 62.100 -0.105 0.000 1.162 465 T CB 0.370 69.190 68.868 -0.081 0.000 0.968 465 T HN 1.494 nan 8.240 nan 0.000 0.530 466 G N 2.295 111.020 108.800 -0.125 0.000 2.217 466 G HA2 -0.254 3.712 3.960 0.010 0.000 0.246 466 G HA3 -0.254 3.712 3.960 0.010 0.000 0.246 466 G C 0.259 175.039 174.900 -0.200 0.000 0.990 466 G CA -0.143 44.872 45.100 -0.142 0.000 0.627 466 G HN 0.775 nan 8.290 nan 0.000 0.522 467 V N 1.704 121.460 119.914 -0.264 0.000 2.284 467 V HA 0.704 4.830 4.120 0.010 0.000 0.260 467 V C 0.338 176.268 176.094 -0.274 0.000 1.084 467 V CA 0.621 62.652 62.300 -0.448 0.000 0.894 467 V CB 0.802 32.248 31.823 -0.627 0.000 1.119 467 V HN 0.770 nan 8.190 nan 0.000 0.484 468 S N 3.272 118.893 115.700 -0.130 0.000 2.560 468 S HA 0.669 5.144 4.470 0.010 0.000 0.283 468 S C -0.081 174.583 174.600 0.106 0.000 1.141 468 S CA 0.574 58.805 58.200 0.052 0.000 0.902 468 S CB 1.279 64.485 63.200 0.011 0.000 1.104 468 S HN 1.794 nan 8.310 nan 0.000 0.454 469 G N 3.886 112.790 108.800 0.175 0.000 2.598 469 G HA2 -0.151 3.815 3.960 0.010 0.000 0.244 469 G HA3 -0.151 3.815 3.960 0.010 0.000 0.244 469 G C -1.263 173.710 174.900 0.122 0.000 1.302 469 G CA 0.088 45.271 45.100 0.138 0.000 0.903 469 G HN 0.808 nan 8.290 nan 0.000 0.575 470 D N 1.390 121.829 120.400 0.066 0.000 2.383 470 D HA 0.580 5.226 4.640 0.010 0.000 0.252 470 D C 0.964 177.205 176.300 -0.098 0.000 1.166 470 D CA 0.771 54.731 54.000 -0.066 0.000 0.879 470 D CB 0.739 41.605 40.800 0.111 0.000 1.164 470 D HN 0.536 nan 8.370 nan 0.000 0.462 471 M N 0.396 119.859 119.600 -0.228 0.000 2.846 471 M HA 0.426 4.912 4.480 0.010 0.000 0.282 471 M C -0.125 176.076 176.300 -0.165 0.000 1.266 471 M CA -0.882 54.367 55.300 -0.085 0.000 0.766 471 M CB 2.356 35.008 32.600 0.086 0.000 1.739 471 M HN 0.260 nan 8.290 nan 0.000 0.442 472 T N -1.624 112.910 114.554 -0.034 0.000 2.906 472 T HA 0.665 5.021 4.350 0.010 0.000 0.295 472 T C -0.562 174.177 174.700 0.065 0.000 1.075 472 T CA -0.873 61.218 62.100 -0.014 0.000 1.005 472 T CB 1.402 70.276 68.868 0.010 0.000 1.136 472 T HN 0.372 nan 8.240 nan 0.000 0.498 473 V N 2.439 122.376 119.914 0.039 0.000 2.529 473 V HA 0.405 4.530 4.120 0.010 0.000 0.292 473 V C 1.514 177.690 176.094 0.138 0.000 1.028 473 V CA 0.561 62.918 62.300 0.095 0.000 1.074 473 V CB 0.129 31.896 31.823 -0.092 0.000 0.958 473 V HN 1.212 nan 8.190 nan 0.000 0.481 474 A N 4.633 127.580 122.820 0.212 0.000 1.887 474 A HA 0.256 4.582 4.320 0.010 0.000 0.212 474 A C 1.050 178.742 177.584 0.180 0.000 1.198 474 A CA 1.194 53.359 52.037 0.214 0.000 0.628 474 A CB 0.106 19.312 19.000 0.343 0.000 0.847 474 A HN 0.896 nan 8.150 nan 0.000 0.449 475 T N -2.663 112.003 114.554 0.187 0.000 2.923 475 T HA 0.520 4.876 4.350 0.010 0.000 0.311 475 T C -0.834 173.984 174.700 0.196 0.000 1.183 475 T CA -0.110 62.076 62.100 0.142 0.000 1.020 475 T CB 1.241 70.147 68.868 0.064 0.000 1.165 475 T HN 0.963 nan 8.240 nan 0.000 0.482 476 V N 1.453 121.487 119.914 0.200 0.000 2.370 476 V HA 0.570 4.696 4.120 0.010 0.000 0.279 476 V C 0.972 177.194 176.094 0.213 0.000 1.029 476 V CA -0.596 61.865 62.300 0.268 0.000 0.870 476 V CB 0.225 32.263 31.823 0.357 0.000 0.984 476 V HN 0.972 nan 8.190 nan 0.000 0.451 477 I N 3.079 123.774 120.570 0.210 0.000 2.277 477 I HA 0.110 4.286 4.170 0.010 0.000 0.243 477 I C 0.888 177.097 176.117 0.154 0.000 1.094 477 I CA 1.542 62.929 61.300 0.144 0.000 1.393 477 I CB 0.058 38.126 38.000 0.113 0.000 1.078 477 I HN 1.019 nan 8.210 nan 0.000 0.417 478 D N -1.604 118.922 120.400 0.210 0.000 2.970 478 D HA 0.041 4.687 4.640 0.010 0.000 0.344 478 D C 0.368 176.788 176.300 0.200 0.000 1.365 478 D CA -0.681 53.421 54.000 0.171 0.000 0.910 478 D CB 0.142 41.011 40.800 0.116 0.000 1.445 478 D HN -0.039 nan 8.370 nan 0.000 0.532 479 K N -0.961 119.470 120.400 0.051 0.000 2.283 479 K HA -0.029 4.297 4.320 0.010 0.000 0.202 479 K C -0.134 176.355 176.600 -0.185 0.000 1.048 479 K CA 1.297 57.493 56.287 -0.151 0.000 0.948 479 K CB -0.190 32.204 32.500 -0.176 0.000 0.742 479 K HN 0.233 nan 8.250 nan 0.000 0.458 480 D N -0.001 120.438 120.400 0.064 0.000 2.433 480 D HA 0.113 4.759 4.640 0.010 0.000 0.211 480 D C -0.684 175.699 176.300 0.139 0.000 1.114 480 D CA 0.039 54.071 54.000 0.053 0.000 0.837 480 D CB 0.342 41.101 40.800 -0.070 0.000 0.984 480 D HN 0.243 nan 8.370 nan 0.000 0.505 481 N N 0.030 118.934 118.700 0.340 0.000 2.324 481 N HA 0.478 5.224 4.740 0.010 0.000 0.285 481 N C -1.212 174.441 175.510 0.238 0.000 1.076 481 N CA -0.801 52.360 53.050 0.185 0.000 0.864 481 N CB 2.152 40.727 38.487 0.146 0.000 1.632 481 N HN -0.098 nan 8.380 nan 0.000 0.478 482 F N -1.706 118.219 119.950 -0.041 0.000 2.685 482 F HA 0.814 5.347 4.527 0.010 0.000 0.315 482 F C -0.616 175.191 175.800 0.011 0.000 1.126 482 F CA -0.990 56.976 58.000 -0.056 0.000 0.950 482 F CB 1.097 39.958 39.000 -0.232 0.000 1.360 482 F HN 0.326 nan 8.300 nan 0.000 0.469 483 T N 0.028 114.705 114.554 0.205 0.000 2.932 483 T HA 0.796 5.152 4.350 0.010 0.000 0.289 483 T C -0.766 174.099 174.700 0.275 0.000 1.039 483 T CA -0.378 61.801 62.100 0.133 0.000 1.024 483 T CB 1.542 70.499 68.868 0.149 0.000 1.090 483 T HN 1.590 nan 8.240 nan 0.000 0.496 484 V N 0.333 120.342 119.914 0.160 0.000 2.769 484 V HA 0.803 4.929 4.120 0.010 0.000 0.312 484 V C -0.721 175.363 176.094 -0.016 0.000 1.061 484 V CA -1.344 61.024 62.300 0.113 0.000 0.931 484 V CB 1.467 33.303 31.823 0.021 0.000 1.010 484 V HN 0.935 nan 8.190 nan 0.000 0.433 485 L N 4.505 125.644 121.223 -0.140 0.000 2.260 485 L HA 0.653 4.999 4.340 0.010 0.000 0.289 485 L C 0.680 177.365 176.870 -0.310 0.000 1.057 485 L CA 0.765 55.324 54.840 -0.469 0.000 0.811 485 L CB 0.842 42.622 42.059 -0.466 0.000 1.184 485 L HN 1.186 nan 8.230 nan 0.000 0.429 486 T N 2.671 117.035 114.554 -0.318 0.000 2.881 486 T HA 0.527 4.882 4.350 0.010 0.000 0.278 486 T C -1.866 172.717 174.700 -0.194 0.000 0.982 486 T CA -1.510 60.455 62.100 -0.225 0.000 0.989 486 T CB 1.134 69.878 68.868 -0.208 0.000 1.058 486 T HN 0.557 nan 8.240 nan 0.000 0.529 487 P HA 0.146 nan 4.420 nan 0.000 0.245 487 P C -0.120 177.123 177.300 -0.095 0.000 1.212 487 P CA 0.223 63.260 63.100 -0.107 0.000 0.774 487 P CB -0.141 31.512 31.700 -0.078 0.000 0.999 488 N N -0.425 118.213 118.700 -0.103 0.000 2.853 488 N HA 0.305 5.051 4.740 0.010 0.000 0.258 488 N C -1.284 174.177 175.510 -0.081 0.000 1.444 488 N CA -0.774 52.228 53.050 -0.080 0.000 0.837 488 N CB 1.616 40.063 38.487 -0.067 0.000 1.489 488 N HN -0.090 nan 8.380 nan 0.000 0.529 489 Q N -0.242 119.522 119.800 -0.060 0.000 2.421 489 Q HA 0.567 4.913 4.340 0.010 0.000 0.280 489 Q C -1.633 174.342 176.000 -0.042 0.000 1.085 489 Q CA -0.831 54.941 55.803 -0.050 0.000 0.807 489 Q CB 2.241 30.957 28.738 -0.037 0.000 1.405 489 Q HN 0.519 nan 8.270 nan 0.000 0.419 490 Q N 0.126 119.902 119.800 -0.040 0.000 2.458 490 Q HA 0.381 4.726 4.340 0.010 0.000 0.282 490 Q C 0.120 176.103 176.000 -0.028 0.000 1.106 490 Q CA -0.272 55.510 55.803 -0.035 0.000 0.814 490 Q CB 2.141 30.854 28.738 -0.041 0.000 1.425 490 Q HN 0.882 nan 8.270 nan 0.000 0.437 491 T N -3.417 111.122 114.554 -0.024 0.000 3.129 491 T HA 0.182 4.537 4.350 0.010 0.000 0.251 491 T C 0.399 175.087 174.700 -0.020 0.000 1.117 491 T CA 0.388 62.476 62.100 -0.019 0.000 1.034 491 T CB -0.045 68.813 68.868 -0.017 0.000 0.968 491 T HN 0.446 nan 8.240 nan 0.000 0.526 492 S N 0.383 116.068 115.700 -0.024 0.000 2.568 492 S HA 0.581 5.057 4.470 0.010 0.000 0.293 492 S C -1.299 173.283 174.600 -0.030 0.000 1.089 492 S CA -1.056 57.129 58.200 -0.024 0.000 0.945 492 S CB 1.649 64.835 63.200 -0.023 0.000 1.077 492 S HN 0.118 nan 8.310 nan 0.000 0.485 493 D N 1.260 121.642 120.400 -0.029 0.000 2.414 493 D HA 0.354 5.000 4.640 0.010 0.000 0.242 493 D C -0.277 175.997 176.300 -0.043 0.000 1.129 493 D CA 0.221 54.200 54.000 -0.035 0.000 0.885 493 D CB 0.496 41.278 40.800 -0.031 0.000 1.198 493 D HN 0.465 nan 8.370 nan 0.000 0.437 494 L N 2.219 123.408 121.223 -0.056 0.000 2.334 494 L HA 0.450 4.795 4.340 0.010 0.000 0.273 494 L C 0.175 176.999 176.870 -0.077 0.000 1.013 494 L CA -0.800 53.998 54.840 -0.069 0.000 0.816 494 L CB 1.433 43.439 42.059 -0.088 0.000 1.278 494 L HN 0.233 nan 8.230 nan 0.000 0.431 495 N N 1.591 120.246 118.700 -0.074 0.000 2.542 495 N HA 0.084 4.830 4.740 0.010 0.000 0.288 495 N C -0.763 174.705 175.510 -0.071 0.000 1.115 495 N CA -0.480 52.526 53.050 -0.074 0.000 0.924 495 N CB 1.213 39.669 38.487 -0.051 0.000 1.526 495 N HN 0.638 nan 8.380 nan 0.000 0.515 496 N N 2.271 120.912 118.700 -0.098 0.000 2.362 496 N HA 0.090 4.836 4.740 0.010 0.000 0.211 496 N C -0.069 175.433 175.510 -0.014 0.000 1.170 496 N CA -0.303 52.698 53.050 -0.082 0.000 0.828 496 N CB -0.190 38.192 38.487 -0.175 0.000 1.034 496 N HN 0.503 nan 8.380 nan 0.000 0.475 497 A N -0.191 122.626 122.820 -0.005 0.000 2.580 497 A HA 0.415 4.741 4.320 0.010 0.000 0.244 497 A C 1.590 179.195 177.584 0.035 0.000 1.045 497 A CA 0.657 52.708 52.037 0.023 0.000 0.761 497 A CB -0.884 18.119 19.000 0.005 0.000 0.962 497 A HN 1.007 nan 8.150 nan 0.000 0.512 498 G N 1.171 110.007 108.800 0.059 0.000 2.241 498 G HA2 -0.223 3.743 3.960 0.010 0.000 0.244 498 G HA3 -0.223 3.743 3.960 0.010 0.000 0.244 498 G C 0.377 175.322 174.900 0.074 0.000 0.998 498 G CA 0.714 45.847 45.100 0.055 0.000 0.621 498 G HN 0.990 nan 8.290 nan 0.000 0.519 499 K N 1.736 122.196 120.400 0.100 0.000 2.201 499 K HA 0.516 4.842 4.320 0.010 0.000 0.278 499 K C -0.091 176.647 176.600 0.229 0.000 1.027 499 K CA -0.797 55.566 56.287 0.128 0.000 0.909 499 K CB 0.341 32.896 32.500 0.092 0.000 1.062 499 K HN 0.166 nan 8.250 nan 0.000 0.465 500 N N 5.121 123.910 118.700 0.148 0.000 2.430 500 N HA 0.234 4.980 4.740 0.010 0.000 0.265 500 N C -0.677 174.877 175.510 0.073 0.000 1.100 500 N CA -0.172 52.918 53.050 0.067 0.000 0.961 500 N CB 0.407 38.897 38.487 0.004 0.000 1.075 500 N HN 0.563 nan 8.380 nan 0.000 0.478 501 W N 1.282 122.428 121.300 -0.258 0.000 3.039 501 W HA 0.502 5.168 4.660 0.010 0.000 0.354 501 W C -1.369 174.825 176.519 -0.542 0.000 1.206 501 W CA -0.656 56.500 57.345 -0.316 0.000 1.134 501 W CB 0.314 29.750 29.460 -0.040 0.000 1.493 501 W HN 0.376 nan 8.180 nan 0.000 0.591 502 H N 0.661 119.859 119.070 0.213 0.000 2.806 502 H HA 0.671 5.233 4.556 0.010 0.000 0.367 502 H C -0.697 174.643 175.328 0.021 0.000 1.136 502 H CA -0.824 55.190 56.048 -0.056 0.000 1.178 502 H CB 2.969 32.778 29.762 0.078 0.000 1.718 502 H HN 0.323 nan 8.280 nan 0.000 0.540 503 M N 1.290 120.819 119.600 -0.118 0.000 2.518 503 M HA 0.527 5.013 4.480 0.010 0.000 0.300 503 M C -0.165 176.058 176.300 -0.127 0.000 1.175 503 M CA -0.015 55.199 55.300 -0.144 0.000 0.890 503 M CB 2.029 34.526 32.600 -0.171 0.000 1.710 503 M HN 0.994 nan 8.290 nan 0.000 0.453 504 G N 0.820 109.583 108.800 -0.062 0.000 2.613 504 G HA2 -0.131 3.835 3.960 0.010 0.000 0.199 504 G HA3 -0.131 3.835 3.960 0.010 0.000 0.199 504 G C -0.162 174.785 174.900 0.078 0.000 0.991 504 G CA 0.098 45.151 45.100 -0.077 0.000 0.756 504 G HN 0.871 nan 8.290 nan 0.000 0.515 505 T N -1.556 113.061 114.554 0.105 0.000 2.945 505 T HA 0.754 5.110 4.350 0.010 0.000 0.286 505 T C -0.339 174.453 174.700 0.152 0.000 1.025 505 T CA 0.058 62.257 62.100 0.165 0.000 1.039 505 T CB 2.324 71.226 68.868 0.056 0.000 1.068 505 T HN 1.102 nan 8.240 nan 0.000 0.497 506 S N 1.261 117.025 115.700 0.107 0.000 2.720 506 S HA 0.365 4.841 4.470 0.010 0.000 0.278 506 S C 0.077 174.616 174.600 -0.102 0.000 1.172 506 S CA -0.852 57.298 58.200 -0.083 0.000 1.019 506 S CB 0.642 63.538 63.200 -0.508 0.000 1.049 506 S HN 0.739 nan 8.310 nan 0.000 0.483 507 F N 5.012 124.792 119.950 -0.283 0.000 2.095 507 F HA -0.097 4.435 4.527 0.010 0.000 0.298 507 F C 2.151 177.623 175.800 -0.547 0.000 1.104 507 F CA 1.982 59.698 58.000 -0.472 0.000 1.232 507 F CB -0.040 38.634 39.000 -0.544 0.000 0.987 507 F HN 0.813 nan 8.300 nan 0.000 0.475 508 H N -0.124 118.907 119.070 -0.065 0.000 2.462 508 H HA 0.024 4.586 4.556 0.010 0.000 0.292 508 H C 1.513 176.688 175.328 -0.254 0.000 1.049 508 H CA 1.099 57.047 56.048 -0.166 0.000 1.334 508 H CB -0.221 29.527 29.762 -0.024 0.000 1.404 508 H HN 0.336 nan 8.280 nan 0.000 0.544 509 K N 1.220 121.499 120.400 -0.202 0.000 2.404 509 K HA 0.158 4.484 4.320 0.010 0.000 0.194 509 K C 0.145 176.673 176.600 -0.119 0.000 1.023 509 K CA 0.003 56.169 56.287 -0.201 0.000 1.094 509 K CB 0.671 32.913 32.500 -0.431 0.000 0.841 509 K HN -0.032 nan 8.250 nan 0.000 0.523 510 S N 2.372 117.937 115.700 -0.225 0.000 2.501 510 S HA 0.363 4.839 4.470 0.010 0.000 0.301 510 S C -2.466 171.915 174.600 -0.364 0.000 1.096 510 S CA -1.315 56.753 58.200 -0.220 0.000 1.063 510 S CB 1.918 64.977 63.200 -0.236 0.000 1.042 510 S HN 0.059 nan 8.310 nan 0.000 0.494 511 P HA 0.144 nan 4.420 nan 0.000 0.274 511 P C -0.980 176.113 177.300 -0.344 0.000 1.231 511 P CA -0.547 62.392 63.100 -0.269 0.000 0.790 511 P CB 0.447 32.068 31.700 -0.131 0.000 0.951 512 W N 1.733 122.819 121.300 -0.357 0.000 2.210 512 W HA 0.196 4.862 4.660 0.010 0.000 0.330 512 W C 1.495 177.814 176.519 -0.334 0.000 1.334 512 W CA -0.136 56.966 57.345 -0.405 0.000 1.227 512 W CB 0.244 29.335 29.460 -0.616 0.000 1.178 512 W HN 0.257 nan 8.180 nan 0.000 0.560 513 R N 3.693 124.203 120.500 0.017 0.000 2.265 513 R HA 0.232 4.578 4.340 0.010 0.000 0.314 513 R C -0.650 175.592 176.300 -0.097 0.000 1.053 513 R CA -0.376 55.706 56.100 -0.031 0.000 0.931 513 R CB 0.362 30.680 30.300 0.031 0.000 1.024 513 R HN 0.425 nan 8.270 nan 0.000 0.457 514 K N 3.017 123.303 120.400 -0.190 0.000 2.394 514 K HA 0.248 4.574 4.320 0.010 0.000 0.260 514 K C -1.124 175.443 176.600 -0.054 0.000 0.967 514 K CA -0.564 55.572 56.287 -0.252 0.000 0.855 514 K CB 2.335 34.515 32.500 -0.534 0.000 1.101 514 K HN 0.446 nan 8.250 nan 0.000 0.433 515 T N 1.929 116.521 114.554 0.063 0.000 2.821 515 T HA 0.063 4.419 4.350 0.010 0.000 0.307 515 T C -0.776 173.998 174.700 0.124 0.000 1.034 515 T CA -0.610 61.542 62.100 0.087 0.000 0.953 515 T CB 0.653 69.592 68.868 0.119 0.000 0.968 515 T HN 0.399 nan 8.240 nan 0.000 0.462 516 D N 3.071 123.528 120.400 0.095 0.000 2.371 516 D HA 0.113 4.759 4.640 0.010 0.000 0.256 516 D C 0.678 177.037 176.300 0.097 0.000 1.193 516 D CA -0.280 53.781 54.000 0.103 0.000 0.881 516 D CB 0.725 41.572 40.800 0.078 0.000 1.143 516 D HN 0.448 nan 8.370 nan 0.000 0.473 517 L N 3.165 124.445 121.223 0.095 0.000 2.640 517 L HA 0.305 4.651 4.340 0.010 0.000 0.230 517 L C 1.576 178.481 176.870 0.058 0.000 1.123 517 L CA 0.025 54.919 54.840 0.091 0.000 0.900 517 L CB -0.503 41.589 42.059 0.055 0.000 1.146 517 L HN 0.674 nan 8.230 nan 0.000 0.484 518 G N 1.298 110.128 108.800 0.050 0.000 2.645 518 G HA2 -0.326 3.640 3.960 0.010 0.000 0.246 518 G HA3 -0.326 3.640 3.960 0.010 0.000 0.246 518 G C -0.623 174.285 174.900 0.014 0.000 1.322 518 G CA -0.309 44.811 45.100 0.033 0.000 0.898 518 G HN 0.033 nan 8.290 nan 0.000 0.573 519 L N 1.051 122.278 121.223 0.007 0.000 2.334 519 L HA 0.561 4.907 4.340 0.010 0.000 0.286 519 L C 0.830 177.697 176.870 -0.005 0.000 1.108 519 L CA -0.448 54.389 54.840 -0.005 0.000 0.875 519 L CB -0.272 41.784 42.059 -0.007 0.000 1.246 519 L HN 0.414 nan 8.230 nan 0.000 0.439 520 I N 8.132 128.685 120.570 -0.029 0.000 2.587 520 I HA 0.099 4.275 4.170 0.010 0.000 0.284 520 I C -1.525 174.593 176.117 0.003 0.000 1.134 520 I CA -1.378 59.899 61.300 -0.037 0.000 1.410 520 I CB 0.175 38.063 38.000 -0.188 0.000 1.392 520 I HN 0.518 nan 8.210 nan 0.000 0.545 521 P HA 0.002 nan 4.420 nan 0.000 0.269 521 P C -0.037 177.303 177.300 0.067 0.000 1.209 521 P CA 0.047 63.172 63.100 0.043 0.000 0.776 521 P CB 0.734 32.460 31.700 0.045 0.000 0.876 522 S N -1.456 114.285 115.700 0.069 0.000 3.631 522 S HA -0.078 4.398 4.470 0.010 0.000 0.366 522 S C -0.001 174.684 174.600 0.140 0.000 0.993 522 S CA 0.582 58.843 58.200 0.101 0.000 1.167 522 S CB -1.695 61.575 63.200 0.117 0.000 0.909 522 S HN 0.430 nan 8.310 nan 0.000 0.478 523 V N 0.302 120.279 119.914 0.104 0.000 2.638 523 V HA 0.451 4.577 4.120 0.010 0.000 0.306 523 V C 0.968 177.085 176.094 0.038 0.000 1.052 523 V CA -0.512 61.868 62.300 0.134 0.000 0.885 523 V CB 2.246 34.148 31.823 0.131 0.000 0.999 523 V HN 0.450 nan 8.190 nan 0.000 0.424 524 T N 2.235 116.757 114.554 -0.054 0.000 3.045 524 T HA 0.256 4.612 4.350 0.010 0.000 0.239 524 T C 0.268 174.882 174.700 -0.145 0.000 1.008 524 T CA 0.520 62.523 62.100 -0.161 0.000 1.143 524 T CB 0.306 68.977 68.868 -0.328 0.000 0.894 524 T HN 0.669 nan 8.240 nan 0.000 0.451 525 E N 0.341 120.445 120.200 -0.159 0.000 2.343 525 E HA 0.515 4.871 4.350 0.010 0.000 0.278 525 E C -1.714 175.018 176.600 0.221 0.000 0.910 525 E CA -0.493 55.937 56.400 0.051 0.000 0.757 525 E CB 3.183 32.959 29.700 0.127 0.000 1.218 525 E HN -0.091 nan 8.360 nan 0.000 0.435 526 V N 2.328 122.410 119.914 0.281 0.000 2.427 526 V HA 0.372 4.498 4.120 0.010 0.000 0.286 526 V C -0.654 175.676 176.094 0.394 0.000 1.034 526 V CA -0.380 62.144 62.300 0.372 0.000 0.893 526 V CB 1.084 33.090 31.823 0.306 0.000 0.982 526 V HN 0.657 nan 8.190 nan 0.000 0.452 527 H N 2.987 122.243 119.070 0.309 0.000 2.954 527 H HA 0.613 5.175 4.556 0.011 0.000 0.361 527 H C -0.445 175.062 175.328 0.298 0.000 1.122 527 H CA 0.646 56.864 56.048 0.283 0.000 1.217 527 H CB 1.684 31.622 29.762 0.293 0.000 1.776 527 H HN 0.871 nan 8.280 nan 0.000 0.533 528 S N 2.572 118.182 115.700 -0.150 0.000 3.661 528 S HA -0.150 4.325 4.470 0.010 0.000 0.772 528 S C -1.452 173.313 174.600 0.276 0.000 1.194 528 S CA 0.321 58.548 58.200 0.044 0.000 1.148 528 S CB -0.614 62.691 63.200 0.175 0.000 0.564 528 S HN 0.768 nan 8.310 nan 0.000 0.482 529 F N 1.656 121.666 119.950 0.100 0.000 2.604 529 F HA 0.650 5.182 4.527 0.009 0.000 0.316 529 F C -0.575 175.297 175.800 0.119 0.000 1.136 529 F CA 0.395 58.453 58.000 0.097 0.000 0.989 529 F CB 1.439 40.433 39.000 -0.009 0.000 1.258 529 F HN 0.933 nan 8.300 nan 0.000 0.451 530 A N 4.048 126.799 122.820 -0.115 0.000 2.340 530 A HA 0.593 4.918 4.320 0.010 0.000 0.297 530 A C -0.696 176.816 177.584 -0.121 0.000 1.195 530 A CA -0.588 51.465 52.037 0.026 0.000 0.769 530 A CB 0.798 19.870 19.000 0.120 0.000 1.163 530 A HN 0.648 nan 8.150 nan 0.000 0.472 531 T N 3.454 118.061 114.554 0.089 0.000 2.888 531 T HA 0.199 4.555 4.350 0.010 0.000 0.301 531 T C 1.209 175.946 174.700 0.061 0.000 1.001 531 T CA 0.033 62.221 62.100 0.146 0.000 1.147 531 T CB 0.254 69.300 68.868 0.297 0.000 0.931 531 T HN 0.445 nan 8.240 nan 0.000 0.541 532 I N 2.007 122.563 120.570 -0.024 0.000 2.947 532 I HA 0.196 4.372 4.170 0.010 0.000 0.263 532 I C 1.005 177.095 176.117 -0.045 0.000 1.130 532 I CA 0.834 61.956 61.300 -0.298 0.000 1.448 532 I CB -0.497 37.293 38.000 -0.349 0.000 1.222 532 I HN 0.745 nan 8.210 nan 0.000 0.453 533 D N -2.205 118.232 120.400 0.061 0.000 3.376 533 D HA 0.024 4.670 4.640 0.010 0.000 0.344 533 D C 0.309 176.675 176.300 0.109 0.000 1.428 533 D CA -0.501 53.559 54.000 0.100 0.000 0.949 533 D CB 0.119 40.968 40.800 0.081 0.000 1.451 533 D HN -0.254 nan 8.370 nan 0.000 0.578 534 N N -1.300 117.444 118.700 0.073 0.000 2.512 534 N HA 0.030 4.776 4.740 0.010 0.000 0.183 534 N C 0.342 175.853 175.510 0.001 0.000 1.073 534 N CA 0.869 53.937 53.050 0.030 0.000 0.911 534 N CB -0.033 38.445 38.487 -0.015 0.000 0.964 534 N HN 0.294 nan 8.380 nan 0.000 0.447 535 N N -1.420 117.313 118.700 0.054 0.000 2.273 535 N HA 0.214 4.960 4.740 0.010 0.000 0.192 535 N C 0.549 176.152 175.510 0.155 0.000 1.132 535 N CA 0.474 53.574 53.050 0.083 0.000 0.887 535 N CB 1.352 39.863 38.487 0.040 0.000 1.048 535 N HN 0.163 nan 8.380 nan 0.000 0.490 536 G N 0.137 108.991 108.800 0.090 0.000 2.561 536 G HA2 0.561 4.527 3.960 0.010 0.000 0.310 536 G HA3 0.561 4.527 3.960 0.010 0.000 0.310 536 G C -1.974 172.925 174.900 -0.002 0.000 1.292 536 G CA -0.703 44.327 45.100 -0.116 0.000 0.811 536 G HN 0.081 nan 8.290 nan 0.000 0.482 537 F N -2.502 117.435 119.950 -0.023 0.000 2.807 537 F HA 0.880 5.413 4.527 0.010 0.000 0.316 537 F C -0.437 175.361 175.800 -0.003 0.000 1.162 537 F CA -1.349 56.531 58.000 -0.201 0.000 0.910 537 F CB 1.079 39.675 39.000 -0.673 0.000 1.314 537 F HN 1.125 nan 8.300 nan 0.000 0.454 538 A N 2.008 124.922 122.820 0.156 0.000 2.356 538 A HA 0.934 5.260 4.320 0.010 0.000 0.323 538 A C -1.173 176.531 177.584 0.200 0.000 1.119 538 A CA -0.926 51.275 52.037 0.274 0.000 0.790 538 A CB 1.546 20.650 19.000 0.173 0.000 1.273 538 A HN 0.816 nan 8.150 nan 0.000 0.452 539 M N 1.595 121.428 119.600 0.389 0.000 2.327 539 M HA 0.447 4.933 4.480 0.010 0.000 0.298 539 M C 0.441 176.998 176.300 0.429 0.000 1.065 539 M CA -0.429 55.103 55.300 0.385 0.000 0.916 539 M CB 2.330 35.215 32.600 0.475 0.000 1.630 539 M HN 0.883 nan 8.290 nan 0.000 0.442 540 G N 1.739 110.771 108.800 0.387 0.000 2.572 540 G HA2 0.518 4.484 3.960 0.010 0.000 0.261 540 G HA3 0.518 4.484 3.960 0.010 0.000 0.261 540 G C -1.440 173.726 174.900 0.444 0.000 1.197 540 G CA -0.003 45.318 45.100 0.369 0.000 0.870 540 G HN 0.788 nan 8.290 nan 0.000 0.548 541 Y N -0.994 119.402 120.300 0.161 0.000 2.638 541 Y HA 0.710 5.266 4.550 0.010 0.000 0.335 541 Y C -0.802 175.197 175.900 0.164 0.000 1.155 541 Y CA -1.522 56.676 58.100 0.163 0.000 1.046 541 Y CB 1.059 39.576 38.460 0.094 0.000 1.303 541 Y HN 1.031 nan 8.280 nan 0.000 0.460 542 H N -0.240 118.835 119.070 0.008 0.000 2.985 542 H HA 0.647 5.208 4.556 0.010 0.000 0.360 542 H C -1.754 173.677 175.328 0.172 0.000 1.221 542 H CA -1.026 54.943 56.048 -0.131 0.000 1.121 542 H CB 2.259 31.964 29.762 -0.095 0.000 1.854 542 H HN 0.724 nan 8.280 nan 0.000 0.551 543 Q N 1.616 121.495 119.800 0.131 0.000 2.303 543 Q HA 0.358 4.704 4.340 0.010 0.000 0.267 543 Q C -0.705 175.410 176.000 0.193 0.000 1.011 543 Q CA -0.227 55.644 55.803 0.114 0.000 0.740 543 Q CB 1.580 30.434 28.738 0.194 0.000 1.250 543 Q HN 1.128 nan 8.270 nan 0.000 0.458 544 G N 3.069 111.998 108.800 0.214 0.000 3.596 544 G HA2 0.062 4.028 3.960 0.010 0.000 0.274 544 G HA3 0.062 4.028 3.960 0.010 0.000 0.274 544 G C 0.339 175.311 174.900 0.120 0.000 1.007 544 G CA -0.086 45.141 45.100 0.213 0.000 0.825 544 G HN 0.516 nan 8.290 nan 0.000 0.508 545 D N 0.387 120.838 120.400 0.085 0.000 2.162 545 D HA 0.034 4.680 4.640 0.010 0.000 0.205 545 D C 1.260 177.587 176.300 0.046 0.000 0.964 545 D CA 1.190 55.223 54.000 0.055 0.000 0.847 545 D CB 0.667 41.487 40.800 0.034 0.000 0.988 545 D HN 0.327 nan 8.370 nan 0.000 0.480 546 V N -2.336 117.607 119.914 0.048 0.000 2.971 546 V HA 0.766 4.892 4.120 0.010 0.000 0.309 546 V C -0.456 175.663 176.094 0.042 0.000 1.130 546 V CA -1.639 60.684 62.300 0.039 0.000 0.964 546 V CB 1.570 33.413 31.823 0.033 0.000 1.029 546 V HN 0.048 nan 8.190 nan 0.000 0.427 547 A N 3.987 126.827 122.820 0.033 0.000 2.511 547 A HA 0.676 5.002 4.320 0.010 0.000 0.242 547 A C -1.486 176.119 177.584 0.034 0.000 1.069 547 A CA -0.570 51.485 52.037 0.031 0.000 0.763 547 A CB -0.609 18.404 19.000 0.021 0.000 1.001 547 A HN 0.928 nan 8.150 nan 0.000 0.498 548 P HA 0.356 nan 4.420 nan 0.000 0.288 548 P C -0.370 176.959 177.300 0.049 0.000 1.267 548 P CA -0.748 62.374 63.100 0.036 0.000 0.815 548 P CB 0.776 32.496 31.700 0.032 0.000 0.989 549 R N 1.830 122.356 120.500 0.043 0.000 2.623 549 R HA 0.108 4.454 4.340 0.010 0.000 0.271 549 R C -0.218 176.110 176.300 0.047 0.000 1.043 549 R CA 0.339 56.472 56.100 0.055 0.000 1.083 549 R CB 0.299 30.623 30.300 0.040 0.000 0.974 549 R HN 0.475 nan 8.270 nan 0.000 0.436 550 E N 2.509 122.747 120.200 0.063 0.000 2.238 550 E HA 0.406 4.762 4.350 0.010 0.000 0.267 550 E C -1.412 175.117 176.600 -0.118 0.000 0.887 550 E CA -1.018 55.393 56.400 0.017 0.000 0.769 550 E CB 2.556 32.344 29.700 0.147 0.000 1.187 550 E HN 0.270 nan 8.360 nan 0.000 0.416 551 V N 1.579 121.343 119.914 -0.249 0.000 2.623 551 V HA 0.799 4.925 4.120 0.010 0.000 0.304 551 V C 0.179 175.964 176.094 -0.515 0.000 1.054 551 V CA -0.436 61.621 62.300 -0.404 0.000 0.882 551 V CB 1.625 33.309 31.823 -0.233 0.000 1.002 551 V HN 0.896 nan 8.190 nan 0.000 0.424 552 G N 3.484 111.828 108.800 -0.759 0.000 2.510 552 G HA2 0.721 4.687 3.960 0.010 0.000 0.277 552 G HA3 0.721 4.687 3.960 0.010 0.000 0.277 552 G C -1.847 172.978 174.900 -0.126 0.000 1.223 552 G CA -0.046 44.839 45.100 -0.359 0.000 0.887 552 G HN 1.163 nan 8.290 nan 0.000 0.485 553 L N -2.914 118.400 121.223 0.152 0.000 2.415 553 L HA 0.933 5.279 4.340 0.010 0.000 0.256 553 L C -1.590 175.323 176.870 0.072 0.000 1.010 553 L CA -1.110 53.859 54.840 0.215 0.000 0.826 553 L CB 1.744 43.969 42.059 0.277 0.000 1.405 553 L HN 0.346 nan 8.230 nan 0.000 0.410 554 F N 1.516 121.680 119.950 0.357 0.000 2.411 554 F HA 0.501 5.034 4.527 0.010 0.000 0.352 554 F C -0.616 175.332 175.800 0.247 0.000 1.123 554 F CA -0.349 57.770 58.000 0.198 0.000 1.044 554 F CB 1.449 40.468 39.000 0.032 0.000 1.135 554 F HN 0.468 nan 8.300 nan 0.000 0.461 555 Y N 4.491 124.891 120.300 0.167 0.000 2.335 555 Y HA 0.488 5.044 4.550 0.010 0.000 0.339 555 Y C -1.465 174.362 175.900 -0.123 0.000 0.987 555 Y CA -2.202 55.930 58.100 0.054 0.000 1.140 555 Y CB 0.474 38.936 38.460 0.004 0.000 1.173 555 Y HN 0.441 nan 8.280 nan 0.000 0.486 556 F N 9.230 128.916 119.950 -0.439 0.000 2.293 556 F HA 0.340 4.873 4.527 0.009 0.000 0.370 556 F C -1.529 173.698 175.800 -0.954 0.000 1.090 556 F CA -1.966 55.625 58.000 -0.682 0.000 1.133 556 F CB 1.050 39.520 39.000 -0.883 0.000 1.360 556 F HN 0.460 nan 8.300 nan 0.000 0.489 557 P HA -0.141 nan 4.420 nan 0.000 0.219 557 P C 0.141 177.268 177.300 -0.289 0.000 1.150 557 P CA 1.339 63.965 63.100 -0.790 0.000 0.814 557 P CB 0.448 31.781 31.700 -0.612 0.000 0.787 558 D N -1.091 119.190 120.400 -0.198 0.000 2.405 558 D HA 0.371 5.017 4.640 0.010 0.000 0.264 558 D C 0.696 177.016 176.300 0.034 0.000 1.240 558 D CA -0.652 53.332 54.000 -0.028 0.000 0.893 558 D CB 0.434 41.238 40.800 0.007 0.000 1.198 558 D HN -0.149 nan 8.370 nan 0.000 0.514 559 A N 2.128 124.949 122.820 0.000 0.000 2.168 559 A HA 0.013 4.339 4.320 0.010 0.000 0.215 559 A C 1.339 179.044 177.584 0.203 0.000 1.152 559 A CA 0.667 52.692 52.037 -0.020 0.000 0.716 559 A CB -0.390 18.337 19.000 -0.454 0.000 0.794 559 A HN 0.465 nan 8.150 nan 0.000 0.465 560 F N -0.203 119.885 119.950 0.230 0.000 2.188 560 F HA 0.041 4.574 4.527 0.010 0.000 0.289 560 F C 2.131 178.045 175.800 0.190 0.000 1.082 560 F CA 1.690 59.905 58.000 0.359 0.000 1.282 560 F CB -0.375 38.827 39.000 0.337 0.000 1.060 560 F HN 0.216 nan 8.300 nan 0.000 0.493 561 N N -1.308 117.569 118.700 0.294 0.000 2.333 561 N HA -0.017 4.729 4.740 0.010 0.000 0.178 561 N C -0.118 175.435 175.510 0.071 0.000 1.018 561 N CA 0.901 54.034 53.050 0.139 0.000 0.882 561 N CB 0.125 38.680 38.487 0.112 0.000 0.984 561 N HN -0.072 nan 8.380 nan 0.000 0.434 562 S N 0.722 116.472 115.700 0.083 0.000 2.128 562 S HA 0.206 4.682 4.470 0.010 0.000 0.157 562 S C -2.186 172.475 174.600 0.102 0.000 1.650 562 S CA -0.905 57.328 58.200 0.056 0.000 1.269 562 S CB 1.291 64.501 63.200 0.016 0.000 1.227 562 S HN 0.167 nan 8.310 nan 0.000 0.405 563 P HA -0.059 nan 4.420 nan 0.000 0.226 563 P C 1.225 178.712 177.300 0.312 0.000 1.153 563 P CA 0.789 64.020 63.100 0.219 0.000 0.777 563 P CB -0.035 31.775 31.700 0.183 0.000 0.794 564 S N -2.382 113.438 115.700 0.200 0.000 2.558 564 S HA 0.082 4.558 4.470 0.010 0.000 0.217 564 S C 0.741 175.421 174.600 0.133 0.000 0.975 564 S CA -0.325 57.993 58.200 0.197 0.000 0.912 564 S CB -0.809 62.448 63.200 0.095 0.000 0.776 564 S HN -0.019 nan 8.310 nan 0.000 0.526 565 N N 2.195 120.934 118.700 0.064 0.000 2.437 565 N HA 0.556 5.301 4.740 0.010 0.000 0.259 565 N C -0.921 174.425 175.510 -0.273 0.000 0.983 565 N CA -0.552 52.413 53.050 -0.143 0.000 0.937 565 N CB 0.983 39.395 38.487 -0.126 0.000 1.122 565 N HN 0.604 nan 8.380 nan 0.000 0.499 566 Y N -1.143 118.866 120.300 -0.485 0.000 2.625 566 Y HA 0.790 5.346 4.550 0.010 0.000 0.338 566 Y C -1.325 174.365 175.900 -0.350 0.000 1.123 566 Y CA -1.374 56.284 58.100 -0.737 0.000 1.046 566 Y CB 0.948 38.543 38.460 -1.441 0.000 1.299 566 Y HN 0.124 nan 8.280 nan 0.000 0.464 567 V N 2.706 122.592 119.914 -0.047 0.000 2.638 567 V HA 0.542 4.668 4.120 0.010 0.000 0.306 567 V C -0.906 175.354 176.094 0.277 0.000 1.052 567 V CA -0.951 61.384 62.300 0.059 0.000 0.885 567 V CB 1.732 33.572 31.823 0.028 0.000 0.999 567 V HN 0.947 nan 8.190 nan 0.000 0.424 568 R N 6.452 127.112 120.500 0.265 0.000 2.265 568 R HA 0.538 4.884 4.340 0.010 0.000 0.314 568 R C -0.842 175.558 176.300 0.166 0.000 1.053 568 R CA -0.535 55.702 56.100 0.228 0.000 0.931 568 R CB 0.594 31.031 30.300 0.228 0.000 1.024 568 R HN 0.671 nan 8.270 nan 0.000 0.457 569 R N 4.177 124.784 120.500 0.178 0.000 2.513 569 R HA 0.227 4.573 4.340 0.010 0.000 0.301 569 R C -0.826 175.625 176.300 0.252 0.000 0.968 569 R CA -0.789 55.439 56.100 0.213 0.000 0.872 569 R CB 2.402 32.829 30.300 0.211 0.000 1.177 569 R HN 0.675 nan 8.270 nan 0.000 0.444 570 Q N 2.082 122.021 119.800 0.232 0.000 2.257 570 Q HA 0.479 4.825 4.340 0.010 0.000 0.262 570 Q C 0.538 176.585 176.000 0.078 0.000 0.997 570 Q CA -0.793 55.078 55.803 0.114 0.000 0.873 570 Q CB 2.359 31.150 28.738 0.087 0.000 1.312 570 Q HN 0.583 nan 8.270 nan 0.000 0.450 571 I N -1.503 118.886 120.570 -0.302 0.000 3.138 571 I HA 0.393 4.569 4.170 0.010 0.000 0.288 571 I C -2.230 173.696 176.117 -0.317 0.000 1.148 571 I CA -2.293 58.542 61.300 -0.775 0.000 1.315 571 I CB 0.029 37.315 38.000 -1.191 0.000 1.426 571 I HN 0.340 nan 8.210 nan 0.000 0.615 572 P HA 0.013 nan 4.420 nan 0.000 0.268 572 P C 0.603 177.951 177.300 0.080 0.000 1.204 572 P CA -0.010 63.125 63.100 0.058 0.000 0.768 572 P CB 0.929 32.762 31.700 0.221 0.000 0.842 573 S N 2.772 118.504 115.700 0.053 0.000 2.400 573 S HA -0.255 4.221 4.470 0.010 0.000 0.232 573 S C 1.601 176.190 174.600 -0.020 0.000 1.025 573 S CA 1.521 59.730 58.200 0.015 0.000 0.993 573 S CB -0.951 62.259 63.200 0.016 0.000 0.808 573 S HN 0.674 nan 8.310 nan 0.000 0.478 574 E N -0.270 119.896 120.200 -0.056 0.000 2.338 574 E HA -0.173 4.183 4.350 0.010 0.000 0.197 574 E C 1.022 177.416 176.600 -0.343 0.000 1.007 574 E CA 0.949 57.211 56.400 -0.229 0.000 0.849 574 E CB -0.433 29.067 29.700 -0.335 0.000 0.774 574 E HN 0.807 nan 8.360 nan 0.000 0.506 575 Y N 0.647 120.927 120.300 -0.034 0.000 2.458 575 Y HA 0.253 4.809 4.550 0.010 0.000 0.256 575 Y C 1.538 177.398 175.900 -0.067 0.000 1.159 575 Y CA -0.001 58.084 58.100 -0.024 0.000 1.261 575 Y CB 0.588 39.072 38.460 0.039 0.000 1.119 575 Y HN 0.067 nan 8.280 nan 0.000 0.524 576 E N 0.401 120.614 120.200 0.022 0.000 2.122 576 E HA 0.001 4.357 4.350 0.010 0.000 0.190 576 E C -1.799 174.791 176.600 -0.017 0.000 0.977 576 E CA -0.256 56.133 56.400 -0.019 0.000 0.820 576 E CB -0.888 28.793 29.700 -0.032 0.000 0.770 576 E HN 0.217 nan 8.360 nan 0.000 0.462 577 P HA -0.042 nan 4.420 nan 0.000 0.265 577 P C -0.834 176.452 177.300 -0.023 0.000 1.193 577 P CA 0.664 63.750 63.100 -0.024 0.000 0.765 577 P CB 0.286 31.962 31.700 -0.039 0.000 0.823 578 D N -0.821 119.567 120.400 -0.020 0.000 2.772 578 D HA -0.187 4.459 4.640 0.010 0.000 0.233 578 D C -0.032 176.250 176.300 -0.030 0.000 1.143 578 D CA 1.335 55.321 54.000 -0.024 0.000 0.700 578 D CB -1.333 39.447 40.800 -0.034 0.000 1.076 578 D HN 0.513 nan 8.370 nan 0.000 0.430 579 A N -0.208 122.586 122.820 -0.043 0.000 2.423 579 A HA 0.849 5.175 4.320 0.010 0.000 0.304 579 A C 0.210 177.691 177.584 -0.171 0.000 1.104 579 A CA 0.338 52.335 52.037 -0.067 0.000 0.757 579 A CB 2.352 21.338 19.000 -0.024 0.000 1.313 579 A HN 0.481 nan 8.150 nan 0.000 0.423 580 S N -0.288 115.261 115.700 -0.251 0.000 2.727 580 S HA 0.565 5.041 4.470 0.010 0.000 0.278 580 S C -0.848 173.547 174.600 -0.342 0.000 1.186 580 S CA -0.204 57.642 58.200 -0.589 0.000 0.836 580 S CB 0.215 62.845 63.200 -0.949 0.000 1.186 580 S HN 1.060 nan 8.310 nan 0.000 0.499 581 E N 1.141 121.148 120.200 -0.320 0.000 2.202 581 E HA -0.128 4.227 4.350 0.010 0.000 0.169 581 E C -2.362 174.116 176.600 -0.203 0.000 1.536 581 E CA 0.614 56.792 56.400 -0.368 0.000 0.664 581 E CB -1.442 27.906 29.700 -0.586 0.000 1.064 581 E HN 0.518 nan 8.360 nan 0.000 0.327 582 P HA 0.014 nan 4.420 nan 0.000 0.271 582 P C -0.047 177.558 177.300 0.509 0.000 1.220 582 P CA -0.236 63.013 63.100 0.247 0.000 0.768 582 P CB 0.807 32.603 31.700 0.161 0.000 0.848 583 C N 5.312 124.927 119.300 0.524 0.000 2.369 583 C HA 0.568 5.034 4.460 0.010 0.000 0.358 583 C C 0.973 176.336 174.990 0.621 0.000 1.274 583 C CA -0.214 59.150 59.018 0.578 0.000 1.935 583 C CB -1.131 26.989 27.740 0.634 0.000 2.431 583 C HN 0.480 nan 8.230 nan 0.000 0.545 584 I N 1.011 121.865 120.570 0.473 0.000 2.545 584 I HA 0.850 5.026 4.170 0.010 0.000 0.292 584 I C -0.719 175.615 176.117 0.363 0.000 1.040 584 I CA -0.658 60.943 61.300 0.502 0.000 1.068 584 I CB 1.588 39.835 38.000 0.412 0.000 1.251 584 I HN 0.370 nan 8.210 nan 0.000 0.424 585 K N 3.485 124.182 120.400 0.495 0.000 2.508 585 K HA 0.546 4.872 4.320 0.010 0.000 0.260 585 K C -2.034 174.860 176.600 0.490 0.000 0.949 585 K CA -0.688 55.796 56.287 0.328 0.000 0.834 585 K CB 2.329 34.918 32.500 0.148 0.000 1.365 585 K HN 0.587 nan 8.250 nan 0.000 0.437 586 Y N 1.932 122.257 120.300 0.041 0.000 2.331 586 Y HA 0.515 5.071 4.550 0.010 0.000 0.334 586 Y C -1.727 174.113 175.900 -0.101 0.000 0.960 586 Y CA -0.545 57.597 58.100 0.070 0.000 1.130 586 Y CB 0.929 39.396 38.460 0.012 0.000 1.164 586 Y HN 0.543 nan 8.280 nan 0.000 0.458 587 Y N 4.145 124.421 120.300 -0.041 0.000 2.396 587 Y HA 0.228 4.784 4.550 0.009 0.000 0.332 587 Y C -0.313 175.484 175.900 -0.172 0.000 1.034 587 Y CA -1.436 56.665 58.100 0.002 0.000 1.057 587 Y CB 1.599 40.188 38.460 0.215 0.000 1.220 587 Y HN 0.655 nan 8.280 nan 0.000 0.440 588 D N 2.796 123.181 120.400 -0.025 0.000 2.701 588 D HA -0.203 4.443 4.640 0.010 0.000 0.235 588 D C 1.235 177.425 176.300 -0.182 0.000 1.155 588 D CA 1.975 55.944 54.000 -0.052 0.000 0.649 588 D CB -1.008 39.820 40.800 0.047 0.000 1.050 588 D HN 1.168 nan 8.370 nan 0.000 0.425 589 G N -2.168 106.347 108.800 -0.476 0.000 2.143 589 G HA2 -0.265 3.701 3.960 0.010 0.000 0.249 589 G HA3 -0.265 3.701 3.960 0.010 0.000 0.249 589 G C 0.238 174.913 174.900 -0.375 0.000 0.981 589 G CA 0.245 45.117 45.100 -0.382 0.000 0.665 589 G HN 0.636 nan 8.290 nan 0.000 0.528 590 V N 0.817 120.435 119.914 -0.493 0.000 2.444 590 V HA 0.683 4.809 4.120 0.010 0.000 0.294 590 V C 0.092 175.991 176.094 -0.326 0.000 1.022 590 V CA -0.935 61.135 62.300 -0.383 0.000 0.850 590 V CB 1.755 33.322 31.823 -0.426 0.000 0.992 590 V HN 0.404 nan 8.190 nan 0.000 0.426 591 L N 6.233 127.380 121.223 -0.127 0.000 2.265 591 L HA 0.563 4.909 4.340 0.010 0.000 0.288 591 L C -1.034 175.887 176.870 0.086 0.000 1.058 591 L CA 0.249 55.190 54.840 0.168 0.000 0.809 591 L CB 0.468 42.630 42.059 0.172 0.000 1.179 591 L HN 0.540 nan 8.230 nan 0.000 0.429 592 Y N 5.340 125.950 120.300 0.516 0.000 2.387 592 Y HA 0.649 5.205 4.550 0.009 0.000 0.336 592 Y C -0.374 175.908 175.900 0.636 0.000 1.067 592 Y CA -0.526 57.912 58.100 0.563 0.000 1.114 592 Y CB 1.776 40.591 38.460 0.590 0.000 1.208 592 Y HN 0.509 nan 8.280 nan 0.000 0.458 593 L N 4.867 126.476 121.223 0.645 0.000 2.438 593 L HA 0.662 5.008 4.340 0.010 0.000 0.270 593 L C -1.703 175.376 176.870 0.349 0.000 0.972 593 L CA -0.396 54.740 54.840 0.494 0.000 0.831 593 L CB 1.201 43.438 42.059 0.297 0.000 1.273 593 L HN 0.621 nan 8.230 nan 0.000 0.405 594 I N 3.582 124.367 120.570 0.358 0.000 2.436 594 I HA 0.402 4.578 4.170 0.010 0.000 0.289 594 I C 0.254 176.539 176.117 0.280 0.000 1.010 594 I CA -0.519 60.950 61.300 0.281 0.000 1.098 594 I CB 2.313 40.458 38.000 0.243 0.000 1.266 594 I HN 0.589 nan 8.210 nan 0.000 0.434 595 T N 2.890 117.576 114.554 0.221 0.000 2.902 595 T HA 0.417 4.773 4.350 0.010 0.000 0.280 595 T C -0.072 174.692 174.700 0.107 0.000 0.992 595 T CA -0.835 61.346 62.100 0.136 0.000 1.015 595 T CB 1.959 70.885 68.868 0.095 0.000 1.044 595 T HN 0.553 nan 8.240 nan 0.000 0.520 596 R N 0.489 121.008 120.500 0.032 0.000 2.312 596 R HA 0.505 4.851 4.340 0.010 0.000 0.311 596 R C 0.274 176.562 176.300 -0.020 0.000 1.004 596 R CA -0.491 55.608 56.100 -0.002 0.000 0.902 596 R CB 0.793 31.078 30.300 -0.024 0.000 1.073 596 R HN 0.955 nan 8.270 nan 0.000 0.457 597 G N 0.880 109.667 108.800 -0.022 0.000 2.395 597 G HA2 0.146 4.112 3.960 0.010 0.000 0.283 597 G HA3 0.146 4.112 3.960 0.010 0.000 0.283 597 G C 0.853 175.766 174.900 0.022 0.000 1.178 597 G CA -0.382 44.709 45.100 -0.015 0.000 0.837 597 G HN 0.738 nan 8.290 nan 0.000 0.518 598 T N -1.120 113.446 114.554 0.019 0.000 3.060 598 T HA 0.286 4.642 4.350 0.010 0.000 0.249 598 T C 0.895 175.649 174.700 0.089 0.000 1.079 598 T CA 0.003 62.158 62.100 0.091 0.000 1.013 598 T CB 0.216 69.109 68.868 0.041 0.000 0.975 598 T HN 0.423 nan 8.240 nan 0.000 0.518 599 R N -0.436 120.021 120.500 -0.072 0.000 2.564 599 R HA 0.531 4.876 4.340 0.010 0.000 0.284 599 R C 1.034 177.009 176.300 -0.541 0.000 1.031 599 R CA -0.591 55.384 56.100 -0.209 0.000 0.904 599 R CB 1.598 31.825 30.300 -0.121 0.000 1.199 599 R HN 0.134 nan 8.270 nan 0.000 0.443 600 G N 1.022 109.233 108.800 -0.982 0.000 2.509 600 G HA2 -0.204 3.762 3.960 0.010 0.000 0.218 600 G HA3 -0.204 3.762 3.960 0.010 0.000 0.218 600 G C 0.556 175.136 174.900 -0.535 0.000 1.124 600 G CA 0.701 45.003 45.100 -1.331 0.000 0.776 600 G HN 0.717 nan 8.290 nan 0.000 0.547 601 D N -0.941 119.259 120.400 -0.333 0.000 2.402 601 D HA 0.121 4.767 4.640 0.010 0.000 0.216 601 D C 0.706 176.920 176.300 -0.143 0.000 1.128 601 D CA -0.266 53.620 54.000 -0.190 0.000 0.833 601 D CB 0.458 41.178 40.800 -0.132 0.000 0.971 601 D HN 0.031 nan 8.370 nan 0.000 0.503 602 R N 0.020 120.424 120.500 -0.161 0.000 2.867 602 R HA 0.373 4.719 4.340 0.010 0.000 0.268 602 R C -0.464 175.770 176.300 -0.109 0.000 1.014 602 R CA -1.244 54.789 56.100 -0.112 0.000 0.946 602 R CB 0.995 31.241 30.300 -0.090 0.000 1.208 602 R HN -0.021 nan 8.270 nan 0.000 0.477 603 L N 1.529 122.703 121.223 -0.081 0.000 2.615 603 L HA 0.085 4.431 4.340 0.010 0.000 0.284 603 L C 1.234 178.079 176.870 -0.043 0.000 1.237 603 L CA 1.100 55.903 54.840 -0.062 0.000 0.905 603 L CB -0.144 41.874 42.059 -0.067 0.000 1.149 603 L HN 0.873 nan 8.230 nan 0.000 0.499 604 G N 1.941 110.729 108.800 -0.019 0.000 3.039 604 G HA2 0.345 4.311 3.960 0.010 0.000 0.159 604 G HA3 0.345 4.311 3.960 0.010 0.000 0.159 604 G C -0.386 174.556 174.900 0.070 0.000 1.284 604 G CA -0.493 44.604 45.100 -0.005 0.000 0.996 604 G HN 0.549 nan 8.290 nan 0.000 0.592 605 S N 0.031 115.780 115.700 0.082 0.000 2.643 605 S HA 0.323 4.798 4.470 0.010 0.000 0.310 605 S C 0.454 175.253 174.600 0.331 0.000 1.253 605 S CA 0.605 58.930 58.200 0.208 0.000 1.047 605 S CB 0.051 63.358 63.200 0.179 0.000 0.767 605 S HN 1.050 nan 8.310 nan 0.000 0.498 606 S N 3.173 118.997 115.700 0.207 0.000 2.569 606 S HA 0.724 5.200 4.470 0.010 0.000 0.280 606 S C -0.939 173.473 174.600 -0.313 0.000 1.111 606 S CA -1.026 57.099 58.200 -0.125 0.000 0.887 606 S CB 1.328 64.510 63.200 -0.030 0.000 1.095 606 S HN 0.619 nan 8.310 nan 0.000 0.476 607 L N 2.408 123.172 121.223 -0.766 0.000 2.334 607 L HA 0.649 4.995 4.340 0.010 0.000 0.276 607 L C -1.219 175.216 176.870 -0.725 0.000 1.014 607 L CA -0.514 53.992 54.840 -0.556 0.000 0.815 607 L CB 1.366 43.019 42.059 -0.677 0.000 1.268 607 L HN 0.885 nan 8.230 nan 0.000 0.428 608 H N 3.745 122.886 119.070 0.118 0.000 2.806 608 H HA 0.509 5.071 4.556 0.009 0.000 0.367 608 H C -1.154 174.483 175.328 0.514 0.000 1.136 608 H CA -0.869 55.319 56.048 0.233 0.000 1.178 608 H CB 2.270 31.884 29.762 -0.246 0.000 1.718 608 H HN 0.578 nan 8.280 nan 0.000 0.540 609 R N 0.229 121.050 120.500 0.534 0.000 2.725 609 R HA 0.715 5.061 4.340 0.010 0.000 0.277 609 R C -1.191 175.098 176.300 -0.018 0.000 0.987 609 R CA -0.989 55.179 56.100 0.113 0.000 0.901 609 R CB 2.162 32.244 30.300 -0.363 0.000 1.207 609 R HN 0.453 nan 8.270 nan 0.000 0.463 610 S N 0.414 115.943 115.700 -0.286 0.000 2.536 610 S HA 0.433 4.909 4.470 0.010 0.000 0.271 610 S C -0.422 173.957 174.600 -0.368 0.000 1.134 610 S CA -0.908 56.996 58.200 -0.494 0.000 0.897 610 S CB 1.518 64.058 63.200 -1.100 0.000 1.094 610 S HN 0.783 nan 8.310 nan 0.000 0.473 611 R N 1.311 121.627 120.500 -0.306 0.000 2.432 611 R HA 0.205 4.551 4.340 0.010 0.000 0.260 611 R C -0.591 175.606 176.300 -0.173 0.000 0.935 611 R CA 0.319 56.296 56.100 -0.206 0.000 1.080 611 R CB 0.170 30.368 30.300 -0.170 0.000 1.155 611 R HN 0.670 nan 8.270 nan 0.000 0.531 612 D N -0.613 119.638 120.400 -0.247 0.000 2.740 612 D HA 0.108 4.754 4.640 0.010 0.000 0.301 612 D C 0.042 176.174 176.300 -0.280 0.000 1.408 612 D CA -0.543 53.328 54.000 -0.214 0.000 0.808 612 D CB -0.354 40.334 40.800 -0.187 0.000 1.128 612 D HN 0.062 nan 8.370 nan 0.000 0.465 613 I N 0.473 120.850 120.570 -0.321 0.000 6.679 613 I HA -0.224 3.952 4.170 0.010 0.000 0.126 613 I C 1.227 177.113 176.117 -0.386 0.000 1.811 613 I CA 0.678 61.741 61.300 -0.395 0.000 2.117 613 I CB -1.620 35.994 38.000 -0.644 0.000 3.492 613 I HN 0.512 nan 8.210 nan 0.000 0.193 614 G N 0.368 108.777 108.800 -0.651 0.000 2.141 614 G HA2 -0.273 3.693 3.960 0.010 0.000 0.242 614 G HA3 -0.273 3.693 3.960 0.010 0.000 0.242 614 G C 0.517 175.148 174.900 -0.448 0.000 0.982 614 G CA 0.477 45.109 45.100 -0.779 0.000 0.662 614 G HN 0.604 nan 8.290 nan 0.000 0.527 615 Q N -0.268 119.292 119.800 -0.400 0.000 2.062 615 Q HA 0.134 4.480 4.340 0.010 0.000 0.196 615 Q C 1.529 177.408 176.000 -0.202 0.000 0.967 615 Q CA 1.538 57.226 55.803 -0.191 0.000 0.832 615 Q CB 0.120 28.779 28.738 -0.131 0.000 0.899 615 Q HN 0.772 nan 8.270 nan 0.000 0.442 616 T N -2.403 111.938 114.554 -0.355 0.000 2.908 616 T HA 0.565 4.921 4.350 0.010 0.000 0.290 616 T C -1.292 173.153 174.700 -0.424 0.000 1.034 616 T CA -0.828 61.136 62.100 -0.227 0.000 1.010 616 T CB 1.311 70.105 68.868 -0.123 0.000 1.068 616 T HN 0.180 nan 8.240 nan 0.000 0.481 617 W N 0.011 121.297 121.300 -0.023 0.000 3.033 617 W HA 0.629 5.296 4.660 0.012 0.000 0.336 617 W C -0.375 176.130 176.519 -0.025 0.000 1.173 617 W CA -0.825 56.508 57.345 -0.021 0.000 1.185 617 W CB 1.789 31.265 29.460 0.026 0.000 1.425 617 W HN 0.962 nan 8.180 nan 0.000 0.536 618 E N 1.179 121.499 120.200 0.201 0.000 2.195 618 E HA 0.734 5.090 4.350 0.010 0.000 0.271 618 E C -0.884 175.874 176.600 0.263 0.000 0.923 618 E CA -0.345 56.117 56.400 0.103 0.000 0.790 618 E CB 1.418 30.997 29.700 -0.202 0.000 1.155 618 E HN 0.313 nan 8.360 nan 0.000 0.402 619 S N 3.114 118.957 115.700 0.240 0.000 2.599 619 S HA 0.656 5.132 4.470 0.010 0.000 0.294 619 S C -1.359 173.194 174.600 -0.078 0.000 1.094 619 S CA -0.817 57.343 58.200 -0.067 0.000 0.931 619 S CB 1.347 64.279 63.200 -0.446 0.000 1.093 619 S HN 0.566 nan 8.310 nan 0.000 0.488 620 L N 1.712 122.647 121.223 -0.480 0.000 2.526 620 L HA 0.668 5.014 4.340 0.010 0.000 0.263 620 L C -1.241 175.302 176.870 -0.545 0.000 0.943 620 L CA -0.632 53.912 54.840 -0.495 0.000 0.859 620 L CB 1.768 43.300 42.059 -0.879 0.000 1.313 620 L HN 0.655 nan 8.230 nan 0.000 0.406 621 R N 3.510 123.838 120.500 -0.286 0.000 2.255 621 R HA 0.526 4.872 4.340 0.010 0.000 0.326 621 R C -1.191 174.939 176.300 -0.283 0.000 0.986 621 R CA -0.335 55.655 56.100 -0.185 0.000 0.847 621 R CB 0.764 31.076 30.300 0.020 0.000 1.111 621 R HN 0.517 nan 8.270 nan 0.000 0.452 622 F N 5.918 125.817 119.950 -0.084 0.000 2.518 622 F HA 0.193 4.725 4.527 0.009 0.000 0.359 622 F C -1.351 174.415 175.800 -0.057 0.000 1.118 622 F CA -1.344 56.629 58.000 -0.045 0.000 1.287 622 F CB 0.289 39.333 39.000 0.074 0.000 1.132 622 F HN 0.426 nan 8.300 nan 0.000 0.587 623 P HA 0.019 nan 4.420 nan 0.000 0.269 623 P C -0.614 176.651 177.300 -0.058 0.000 1.215 623 P CA 0.302 63.313 63.100 -0.148 0.000 0.780 623 P CB 0.266 31.791 31.700 -0.291 0.000 0.898 624 H N 0.223 119.309 119.070 0.026 0.000 2.941 624 H HA -0.161 4.401 4.556 0.010 0.000 0.279 624 H C -0.304 174.977 175.328 -0.078 0.000 1.247 624 H CA 0.724 56.761 56.048 -0.018 0.000 1.129 624 H CB -2.599 27.167 29.762 0.007 0.000 1.313 624 H HN 0.744 nan 8.280 nan 0.000 0.384 625 N N -1.501 117.196 118.700 -0.005 0.000 2.714 625 N HA -0.167 4.579 4.740 0.010 0.000 0.253 625 N C -0.134 175.317 175.510 -0.099 0.000 1.024 625 N CA 0.362 53.368 53.050 -0.073 0.000 0.726 625 N CB -0.632 37.770 38.487 -0.142 0.000 0.908 625 N HN 0.111 nan 8.380 nan 0.000 0.542 626 V N 2.056 121.862 119.914 -0.181 0.000 2.557 626 V HA 0.002 4.128 4.120 0.010 0.000 0.301 626 V C 0.878 176.764 176.094 -0.347 0.000 1.026 626 V CA 0.546 62.545 62.300 -0.502 0.000 1.137 626 V CB 0.024 31.502 31.823 -0.576 0.000 0.917 626 V HN 0.455 nan 8.190 nan 0.000 0.484 627 H N 2.854 121.537 119.070 -0.644 0.000 3.016 627 H HA 0.427 4.988 4.556 0.009 0.000 0.362 627 H C 0.273 175.391 175.328 -0.350 0.000 1.233 627 H CA -0.462 55.314 56.048 -0.455 0.000 1.124 627 H CB 0.997 30.445 29.762 -0.522 0.000 1.850 627 H HN 0.753 nan 8.280 nan 0.000 0.549 628 H N -1.509 117.462 119.070 -0.166 0.000 3.882 628 H HA -0.167 4.393 4.556 0.006 0.000 0.165 628 H C -0.240 175.040 175.328 -0.081 0.000 0.896 628 H CA 1.341 57.319 56.048 -0.117 0.000 1.243 628 H CB -0.733 28.937 29.762 -0.154 0.000 0.958 628 H HN 0.815 nan 8.280 nan 0.000 0.400 629 T N 1.085 115.624 114.554 -0.025 0.000 2.863 629 T HA 0.429 4.785 4.350 0.010 0.000 0.285 629 T C 0.368 175.107 174.700 0.065 0.000 1.009 629 T CA 0.027 62.154 62.100 0.046 0.000 0.989 629 T CB 1.436 70.328 68.868 0.040 0.000 1.004 629 T HN 0.328 nan 8.240 nan 0.000 0.455 630 T N 2.413 117.070 114.554 0.172 0.000 2.849 630 T HA 0.564 4.919 4.350 0.010 0.000 0.284 630 T C 0.255 175.107 174.700 0.254 0.000 1.004 630 T CA -0.783 61.447 62.100 0.218 0.000 1.021 630 T CB 0.422 69.488 68.868 0.330 0.000 1.013 630 T HN 0.498 nan 8.240 nan 0.000 0.527 631 L N 1.928 123.332 121.223 0.302 0.000 2.637 631 L HA 0.334 4.679 4.340 0.010 0.000 0.241 631 L C -2.297 174.881 176.870 0.513 0.000 1.398 631 L CA -2.089 52.949 54.840 0.330 0.000 0.895 631 L CB 1.093 43.284 42.059 0.220 0.000 1.183 631 L HN 0.495 nan 8.230 nan 0.000 0.497 632 P HA 0.203 nan 4.420 nan 0.000 0.269 632 P C -0.834 176.819 177.300 0.587 0.000 1.215 632 P CA 0.236 63.646 63.100 0.516 0.000 0.780 632 P CB 0.841 32.804 31.700 0.438 0.000 0.898 633 F N -1.692 118.479 119.950 0.368 0.000 2.741 633 F HA 0.791 5.324 4.527 0.009 0.000 0.311 633 F C -2.015 173.991 175.800 0.344 0.000 1.149 633 F CA -1.350 56.856 58.000 0.343 0.000 0.930 633 F CB 0.697 39.856 39.000 0.266 0.000 1.312 633 F HN 0.523 nan 8.300 nan 0.000 0.450 634 A N 1.529 124.589 122.820 0.400 0.000 2.515 634 A HA 0.734 5.060 4.320 0.010 0.000 0.296 634 A C -1.723 175.965 177.584 0.173 0.000 1.094 634 A CA -1.096 51.120 52.037 0.298 0.000 0.718 634 A CB 2.027 21.203 19.000 0.294 0.000 1.307 634 A HN 0.908 nan 8.150 nan 0.000 0.408 635 K N 1.151 121.385 120.400 -0.276 0.000 2.240 635 K HA 0.592 4.918 4.320 0.010 0.000 0.271 635 K C -1.600 174.807 176.600 -0.322 0.000 1.018 635 K CA -0.257 55.720 56.287 -0.518 0.000 0.874 635 K CB 1.026 32.841 32.500 -1.143 0.000 1.098 635 K HN 0.413 nan 8.250 nan 0.000 0.458 636 V N 4.794 124.624 119.914 -0.140 0.000 2.376 636 V HA 0.407 4.533 4.120 0.010 0.000 0.287 636 V C 0.774 176.829 176.094 -0.065 0.000 1.015 636 V CA 0.112 62.373 62.300 -0.064 0.000 0.834 636 V CB 0.517 32.338 31.823 -0.002 0.000 1.001 636 V HN 1.186 nan 8.190 nan 0.000 0.428 637 G N 4.990 113.758 108.800 -0.054 0.000 2.591 637 G HA2 -0.270 3.696 3.960 0.010 0.000 0.298 637 G HA3 -0.270 3.696 3.960 0.010 0.000 0.298 637 G C 0.394 175.263 174.900 -0.051 0.000 1.195 637 G CA 0.615 45.692 45.100 -0.039 0.000 0.989 637 G HN 0.610 nan 8.290 nan 0.000 0.551 638 D N 2.022 122.398 120.400 -0.039 0.000 2.339 638 D HA 0.226 4.872 4.640 0.010 0.000 0.217 638 D C 0.050 176.321 176.300 -0.047 0.000 1.050 638 D CA 0.570 54.552 54.000 -0.030 0.000 0.856 638 D CB 0.120 40.912 40.800 -0.013 0.000 0.922 638 D HN 0.317 nan 8.370 nan 0.000 0.518 639 D N 0.424 120.782 120.400 -0.071 0.000 2.192 639 D HA 0.234 4.880 4.640 0.010 0.000 0.246 639 D C -0.124 176.112 176.300 -0.106 0.000 1.042 639 D CA -0.573 53.379 54.000 -0.081 0.000 0.847 639 D CB 1.863 42.623 40.800 -0.066 0.000 1.186 639 D HN -0.202 nan 8.370 nan 0.000 0.461 640 L N 2.408 123.562 121.223 -0.116 0.000 2.290 640 L HA 0.393 4.739 4.340 0.010 0.000 0.284 640 L C 0.083 176.943 176.870 -0.017 0.000 1.078 640 L CA -0.191 54.603 54.840 -0.076 0.000 0.815 640 L CB 0.492 42.451 42.059 -0.167 0.000 1.162 640 L HN 0.315 nan 8.230 nan 0.000 0.435 641 I N 5.389 126.019 120.570 0.099 0.000 2.354 641 I HA 0.391 4.567 4.170 0.010 0.000 0.286 641 I C 0.151 176.386 176.117 0.197 0.000 1.007 641 I CA -0.322 61.034 61.300 0.093 0.000 1.167 641 I CB 0.920 39.005 38.000 0.142 0.000 1.320 641 I HN 0.579 nan 8.210 nan 0.000 0.458 642 M N 4.114 123.744 119.600 0.049 0.000 2.598 642 M HA 0.683 5.168 4.480 0.010 0.000 0.317 642 M C -1.756 174.528 176.300 -0.027 0.000 1.179 642 M CA -0.417 55.002 55.300 0.198 0.000 0.936 642 M CB 2.303 35.022 32.600 0.198 0.000 1.713 642 M HN 0.188 nan 8.290 nan 0.000 0.460 643 F N 0.058 120.031 119.950 0.038 0.000 2.563 643 F HA 0.895 5.427 4.527 0.009 0.000 0.316 643 F C 0.356 176.012 175.800 -0.240 0.000 1.076 643 F CA -0.379 57.434 58.000 -0.313 0.000 0.921 643 F CB 2.619 40.894 39.000 -1.210 0.000 1.209 643 F HN 0.868 nan 8.300 nan 0.000 0.462 644 G N 0.144 108.954 108.800 0.018 0.000 2.692 644 G HA2 0.606 4.572 3.960 0.010 0.000 0.291 644 G HA3 0.606 4.572 3.960 0.010 0.000 0.291 644 G C -1.865 173.192 174.900 0.262 0.000 1.423 644 G CA -0.877 44.350 45.100 0.211 0.000 0.843 644 G HN 0.539 nan 8.290 nan 0.000 0.486 645 S N 0.085 116.025 115.700 0.399 0.000 2.619 645 S HA 0.402 4.878 4.470 0.010 0.000 0.280 645 S C -0.229 174.609 174.600 0.397 0.000 1.150 645 S CA -0.848 57.549 58.200 0.329 0.000 0.978 645 S CB 1.630 65.010 63.200 0.299 0.000 1.041 645 S HN 0.900 nan 8.310 nan 0.000 0.485 646 E N 2.754 123.219 120.200 0.442 0.000 2.404 646 E HA 0.208 4.564 4.350 0.010 0.000 0.261 646 E C 0.312 177.011 176.600 0.166 0.000 1.074 646 E CA -0.597 55.998 56.400 0.325 0.000 0.917 646 E CB 0.588 30.509 29.700 0.369 0.000 0.965 646 E HN 0.327 nan 8.360 nan 0.000 0.433 647 R N 1.046 121.596 120.500 0.083 0.000 2.210 647 R HA 0.227 4.573 4.340 0.010 0.000 0.203 647 R C 0.211 176.432 176.300 -0.131 0.000 1.010 647 R CA 0.811 56.919 56.100 0.014 0.000 1.008 647 R CB -0.120 30.167 30.300 -0.022 0.000 0.923 647 R HN 0.614 nan 8.270 nan 0.000 0.469 648 A N 0.592 123.308 122.820 -0.173 0.000 2.587 648 A HA 0.369 4.694 4.320 0.010 0.000 0.293 648 A C -1.049 176.507 177.584 -0.046 0.000 1.087 648 A CA -0.704 51.166 52.037 -0.278 0.000 0.692 648 A CB 1.469 20.059 19.000 -0.683 0.000 1.291 648 A HN 0.098 nan 8.150 nan 0.000 0.407 649 E N 0.490 120.705 120.200 0.025 0.000 2.414 649 E HA 0.136 4.492 4.350 0.010 0.000 0.263 649 E C -0.092 176.570 176.600 0.104 0.000 1.000 649 E CA 0.774 57.234 56.400 0.101 0.000 0.914 649 E CB -0.114 29.673 29.700 0.145 0.000 0.948 649 E HN 0.661 nan 8.360 nan 0.000 0.444 650 N N 2.668 121.455 118.700 0.144 0.000 2.776 650 N HA -0.198 4.548 4.740 0.010 0.000 0.249 650 N C -0.226 175.363 175.510 0.133 0.000 1.111 650 N CA 0.723 53.861 53.050 0.145 0.000 0.711 650 N CB -0.459 38.098 38.487 0.117 0.000 1.065 650 N HN 0.596 nan 8.380 nan 0.000 0.556 651 E N -0.947 119.339 120.200 0.144 0.000 2.460 651 E HA -0.011 4.345 4.350 0.010 0.000 0.200 651 E C 1.219 177.866 176.600 0.078 0.000 1.011 651 E CA -0.290 56.182 56.400 0.121 0.000 0.912 651 E CB 0.112 29.869 29.700 0.095 0.000 0.953 651 E HN 0.445 nan 8.360 nan 0.000 0.494 652 W N 2.587 123.839 121.300 -0.080 0.000 2.358 652 W HA -0.099 4.566 4.660 0.009 0.000 0.303 652 W C 0.065 176.491 176.519 -0.154 0.000 1.208 652 W CA 1.129 58.344 57.345 -0.217 0.000 1.274 652 W CB 0.232 29.575 29.460 -0.195 0.000 1.138 652 W HN -0.062 nan 8.180 nan 0.000 0.515 653 E N 0.382 120.669 120.200 0.145 0.000 2.390 653 E HA 0.267 4.623 4.350 0.010 0.000 0.261 653 E C 0.246 176.863 176.600 0.029 0.000 1.076 653 E CA 0.069 56.504 56.400 0.057 0.000 0.905 653 E CB 0.626 30.348 29.700 0.036 0.000 0.984 653 E HN 0.070 nan 8.360 nan 0.000 0.427 654 A N 1.770 124.576 122.820 -0.023 0.000 2.540 654 A HA 0.390 4.716 4.320 0.010 0.000 0.239 654 A C 1.408 178.950 177.584 -0.070 0.000 1.061 654 A CA 0.580 52.581 52.037 -0.059 0.000 0.758 654 A CB -0.709 18.297 19.000 0.011 0.000 0.991 654 A HN 0.901 nan 8.150 nan 0.000 0.502 655 G N 0.728 109.455 108.800 -0.122 0.000 2.184 655 G HA2 0.092 4.058 3.960 0.010 0.000 0.264 655 G HA3 0.092 4.058 3.960 0.010 0.000 0.264 655 G C 0.612 175.479 174.900 -0.055 0.000 0.975 655 G CA 0.611 45.658 45.100 -0.088 0.000 0.642 655 G HN 2.272 nan 8.290 nan 0.000 0.536 656 A N 1.624 124.426 122.820 -0.029 0.000 2.409 656 A HA 0.646 4.972 4.320 0.010 0.000 0.267 656 A C -0.979 176.624 177.584 0.032 0.000 1.127 656 A CA -0.498 51.553 52.037 0.024 0.000 0.795 656 A CB 0.380 19.424 19.000 0.073 0.000 1.061 656 A HN 0.307 nan 8.150 nan 0.000 0.502 657 P HA 0.209 nan 4.420 nan 0.000 0.274 657 P C -0.815 176.534 177.300 0.081 0.000 1.231 657 P CA -0.457 62.671 63.100 0.046 0.000 0.790 657 P CB 0.586 32.310 31.700 0.039 0.000 0.951 658 D N 0.936 121.398 120.400 0.103 0.000 2.472 658 D HA 0.061 4.707 4.640 0.010 0.000 0.237 658 D C -0.009 176.325 176.300 0.057 0.000 1.141 658 D CA 1.055 55.112 54.000 0.095 0.000 0.875 658 D CB 0.031 40.883 40.800 0.087 0.000 1.192 658 D HN 0.296 nan 8.370 nan 0.000 0.450 659 D N 1.532 121.940 120.400 0.013 0.000 2.400 659 D HA 0.153 4.799 4.640 0.010 0.000 0.272 659 D C -0.465 175.821 176.300 -0.023 0.000 1.220 659 D CA -0.578 53.440 54.000 0.029 0.000 0.897 659 D CB 0.238 41.063 40.800 0.042 0.000 1.134 659 D HN 0.065 nan 8.370 nan 0.000 0.507 660 R N 1.005 121.512 120.500 0.011 0.000 2.944 660 R HA 0.402 4.748 4.340 0.010 0.000 0.233 660 R C 0.243 176.665 176.300 0.204 0.000 1.346 660 R CA -0.732 55.350 56.100 -0.029 0.000 1.082 660 R CB 0.012 30.130 30.300 -0.303 0.000 1.434 660 R HN 0.437 nan 8.270 nan 0.000 0.510 661 Y N -1.239 119.254 120.300 0.321 0.000 4.490 661 Y HA -0.344 4.211 4.550 0.007 0.000 0.233 661 Y C 0.046 176.042 175.900 0.159 0.000 1.101 661 Y CA 1.328 59.547 58.100 0.198 0.000 2.010 661 Y CB -1.630 36.908 38.460 0.130 0.000 1.622 661 Y HN 0.540 nan 8.280 nan 0.000 0.675 662 K N -0.705 119.882 120.400 0.312 0.000 2.542 662 K HA 0.884 5.210 4.320 0.010 0.000 0.259 662 K C -0.553 176.164 176.600 0.194 0.000 0.932 662 K CA -0.603 55.807 56.287 0.205 0.000 0.820 662 K CB 1.944 34.551 32.500 0.180 0.000 1.345 662 K HN 0.146 nan 8.250 nan 0.000 0.432 663 A N 1.703 124.572 122.820 0.081 0.000 2.540 663 A HA 0.409 4.735 4.320 0.010 0.000 0.239 663 A C 0.076 177.733 177.584 0.121 0.000 1.061 663 A CA 0.648 52.713 52.037 0.048 0.000 0.758 663 A CB -0.354 18.696 19.000 0.084 0.000 0.991 663 A HN 0.980 nan 8.150 nan 0.000 0.502 664 S N 0.937 116.687 115.700 0.083 0.000 2.688 664 S HA 0.647 5.123 4.470 0.010 0.000 0.275 664 S C -1.227 173.280 174.600 -0.154 0.000 1.175 664 S CA -0.637 57.614 58.200 0.085 0.000 0.818 664 S CB 0.674 63.985 63.200 0.186 0.000 1.157 664 S HN 0.561 nan 8.310 nan 0.000 0.482 665 Y N 1.861 122.217 120.300 0.094 0.000 2.915 665 Y HA 0.434 4.989 4.550 0.009 0.000 0.350 665 Y C -2.434 173.486 175.900 0.034 0.000 1.061 665 Y CA -2.062 56.063 58.100 0.043 0.000 1.179 665 Y CB 0.995 39.472 38.460 0.027 0.000 1.180 665 Y HN 0.422 nan 8.280 nan 0.000 0.605 666 P HA 0.018 nan 4.420 nan 0.000 0.265 666 P C -0.414 176.908 177.300 0.035 0.000 1.193 666 P CA 0.095 63.246 63.100 0.085 0.000 0.765 666 P CB 0.896 32.640 31.700 0.073 0.000 0.823 667 R N 1.404 121.881 120.500 -0.039 0.000 2.390 667 R HA 0.432 4.778 4.340 0.010 0.000 0.291 667 R C 0.432 176.469 176.300 -0.440 0.000 1.070 667 R CA -0.191 55.718 56.100 -0.319 0.000 1.014 667 R CB 0.368 30.317 30.300 -0.586 0.000 1.007 667 R HN 0.386 nan 8.270 nan 0.000 0.466 668 T N 3.319 117.573 114.554 -0.499 0.000 2.824 668 T HA 0.509 4.865 4.350 0.010 0.000 0.280 668 T C -0.835 173.461 174.700 -0.674 0.000 0.995 668 T CA -0.324 61.538 62.100 -0.397 0.000 1.009 668 T CB 0.468 69.229 68.868 -0.178 0.000 0.955 668 T HN 0.239 nan 8.240 nan 0.000 0.452 669 F N 2.209 121.942 119.950 -0.361 0.000 2.579 669 F HA 0.667 5.199 4.527 0.008 0.000 0.324 669 F C -0.293 175.421 175.800 -0.142 0.000 1.058 669 F CA -1.196 56.605 58.000 -0.331 0.000 0.944 669 F CB 1.465 40.092 39.000 -0.622 0.000 1.245 669 F HN 0.596 nan 8.300 nan 0.000 0.477 670 Y N 0.600 120.834 120.300 -0.110 0.000 2.633 670 Y HA 0.949 5.505 4.550 0.010 0.000 0.339 670 Y C -1.357 174.390 175.900 -0.254 0.000 1.045 670 Y CA -1.875 55.994 58.100 -0.386 0.000 1.098 670 Y CB 1.364 39.194 38.460 -1.049 0.000 1.296 670 Y HN 0.828 nan 8.280 nan 0.000 0.494 671 A N 2.241 124.618 122.820 -0.739 0.000 2.606 671 A HA 0.834 5.160 4.320 0.010 0.000 0.293 671 A C -1.521 175.689 177.584 -0.623 0.000 1.082 671 A CA -1.293 50.146 52.037 -0.997 0.000 0.685 671 A CB 1.688 19.821 19.000 -1.444 0.000 1.284 671 A HN 0.838 nan 8.150 nan 0.000 0.408 672 R N -0.247 119.930 120.500 -0.539 0.000 2.589 672 R HA 0.719 5.065 4.340 0.010 0.000 0.293 672 R C -1.447 174.670 176.300 -0.305 0.000 0.963 672 R CA -0.533 55.387 56.100 -0.301 0.000 0.905 672 R CB 2.047 32.225 30.300 -0.204 0.000 1.144 672 R HN 0.613 nan 8.270 nan 0.000 0.459 673 L N 2.435 123.527 121.223 -0.218 0.000 2.404 673 L HA 0.360 4.706 4.340 0.010 0.000 0.272 673 L C -0.928 175.862 176.870 -0.133 0.000 0.980 673 L CA -0.676 54.044 54.840 -0.201 0.000 0.836 673 L CB 1.706 43.640 42.059 -0.209 0.000 1.238 673 L HN 0.584 nan 8.230 nan 0.000 0.408 674 N N 3.534 122.170 118.700 -0.107 0.000 2.452 674 N HA 0.022 4.768 4.740 0.010 0.000 0.266 674 N C 1.083 176.615 175.510 0.037 0.000 1.175 674 N CA 0.163 53.188 53.050 -0.043 0.000 0.945 674 N CB 1.771 40.234 38.487 -0.041 0.000 1.063 674 N HN 0.652 nan 8.380 nan 0.000 0.472 675 V N 2.241 122.213 119.914 0.097 0.000 2.515 675 V HA -0.163 3.963 4.120 0.010 0.000 0.250 675 V C 1.500 177.754 176.094 0.268 0.000 1.058 675 V CA 1.607 64.077 62.300 0.284 0.000 1.064 675 V CB -0.723 31.261 31.823 0.268 0.000 0.675 675 V HN 0.584 nan 8.190 nan 0.000 0.461 676 N N 1.581 120.362 118.700 0.136 0.000 2.142 676 N HA -0.133 4.613 4.740 0.010 0.000 0.186 676 N C 1.655 177.236 175.510 0.119 0.000 1.023 676 N CA 1.635 54.744 53.050 0.099 0.000 0.852 676 N CB -0.382 38.134 38.487 0.049 0.000 0.998 676 N HN 0.497 nan 8.380 nan 0.000 0.424 677 N N 0.223 118.982 118.700 0.099 0.000 2.270 677 N HA -0.151 4.595 4.740 0.010 0.000 0.181 677 N C -0.175 175.423 175.510 0.147 0.000 1.016 677 N CA 0.288 53.384 53.050 0.077 0.000 0.870 677 N CB -0.300 38.192 38.487 0.008 0.000 0.979 677 N HN 0.354 nan 8.380 nan 0.000 0.431 678 W N 2.222 123.490 121.300 -0.054 0.000 7.193 678 W HA -0.259 4.407 4.660 0.011 0.000 0.423 678 W C -0.705 175.761 176.519 -0.088 0.000 1.702 678 W CA 0.586 57.892 57.345 -0.066 0.000 1.167 678 W CB -1.237 28.198 29.460 -0.042 0.000 2.934 678 W HN 0.128 nan 8.180 nan 0.000 1.576 679 N N 1.559 120.083 118.700 -0.293 0.000 2.578 679 N HA 0.397 5.143 4.740 0.010 0.000 0.282 679 N C -0.103 175.220 175.510 -0.311 0.000 1.119 679 N CA 0.411 53.287 53.050 -0.290 0.000 0.948 679 N CB 1.456 39.865 38.487 -0.130 0.000 1.546 679 N HN 0.055 nan 8.380 nan 0.000 0.525 680 A N 2.618 125.217 122.820 -0.369 0.000 2.379 680 A HA 0.146 4.472 4.320 0.010 0.000 0.236 680 A C 0.970 178.462 177.584 -0.154 0.000 1.272 680 A CA -0.002 51.868 52.037 -0.278 0.000 0.886 680 A CB 0.052 18.827 19.000 -0.376 0.000 0.962 680 A HN 0.716 nan 8.150 nan 0.000 0.504 681 D N 0.926 121.239 120.400 -0.145 0.000 2.178 681 D HA -0.109 4.536 4.640 0.010 0.000 0.201 681 D C 0.003 176.269 176.300 -0.058 0.000 0.980 681 D CA 1.135 55.077 54.000 -0.095 0.000 0.842 681 D CB 0.041 40.789 40.800 -0.086 0.000 0.948 681 D HN 0.374 nan 8.370 nan 0.000 0.472 682 D N 0.166 120.521 120.400 -0.075 0.000 2.559 682 D HA 0.132 4.778 4.640 0.010 0.000 0.234 682 D C 0.613 176.844 176.300 -0.114 0.000 1.226 682 D CA -0.392 53.573 54.000 -0.058 0.000 0.830 682 D CB 0.268 41.034 40.800 -0.057 0.000 1.028 682 D HN 0.225 nan 8.370 nan 0.000 0.492 683 I N 1.287 121.767 120.570 -0.149 0.000 2.775 683 I HA -0.106 4.070 4.170 0.010 0.000 0.290 683 I C -0.018 175.885 176.117 -0.355 0.000 1.203 683 I CA 0.459 61.571 61.300 -0.313 0.000 1.433 683 I CB 0.506 38.296 38.000 -0.351 0.000 1.354 683 I HN -0.124 nan 8.210 nan 0.000 0.579 684 E N 7.058 126.937 120.200 -0.535 0.000 2.101 684 E HA 0.168 4.524 4.350 0.010 0.000 0.260 684 E C -1.660 174.584 176.600 -0.593 0.000 0.897 684 E CA -0.406 55.669 56.400 -0.542 0.000 0.744 684 E CB 0.656 29.808 29.700 -0.913 0.000 1.140 684 E HN 0.505 nan 8.360 nan 0.000 0.419 685 W N 2.807 123.981 121.300 -0.209 0.000 2.356 685 W HA 0.231 4.898 4.660 0.013 0.000 0.311 685 W C -0.263 176.159 176.519 -0.160 0.000 1.328 685 W CA -0.558 56.597 57.345 -0.316 0.000 1.251 685 W CB 0.750 29.872 29.460 -0.562 0.000 1.280 685 W HN 0.192 nan 8.180 nan 0.000 0.524 686 V N 4.690 124.607 119.914 0.006 0.000 2.334 686 V HA 0.080 4.205 4.120 0.010 0.000 0.281 686 V C 0.016 176.130 176.094 0.033 0.000 1.016 686 V CA -1.123 61.175 62.300 -0.002 0.000 0.832 686 V CB 1.000 32.725 31.823 -0.162 0.000 0.999 686 V HN 0.428 nan 8.190 nan 0.000 0.439 687 N N 4.715 123.307 118.700 -0.180 0.000 2.416 687 N HA 0.213 4.959 4.740 0.010 0.000 0.265 687 N C 0.624 175.997 175.510 -0.228 0.000 1.195 687 N CA -0.073 52.636 53.050 -0.569 0.000 0.943 687 N CB 0.628 38.606 38.487 -0.849 0.000 1.115 687 N HN 0.711 nan 8.380 nan 0.000 0.481 688 I N -0.372 120.065 120.570 -0.221 0.000 4.187 688 I HA 0.357 4.533 4.170 0.010 0.000 0.326 688 I C 0.507 176.573 176.117 -0.084 0.000 1.302 688 I CA -0.257 60.970 61.300 -0.123 0.000 1.196 688 I CB 0.426 38.261 38.000 -0.275 0.000 1.095 688 I HN 0.365 nan 8.210 nan 0.000 0.411 689 T N 0.155 114.638 114.554 -0.119 0.000 2.886 689 T HA 0.369 4.725 4.350 0.010 0.000 0.330 689 T C -2.070 172.605 174.700 -0.042 0.000 1.488 689 T CA -0.499 61.604 62.100 0.005 0.000 1.054 689 T CB 2.052 71.010 68.868 0.149 0.000 1.348 689 T HN 0.058 nan 8.240 nan 0.000 0.489 690 D N 2.238 122.643 120.400 0.008 0.000 2.350 690 D HA 0.690 5.336 4.640 0.010 0.000 0.245 690 D C -0.360 175.963 176.300 0.038 0.000 1.036 690 D CA -0.254 53.760 54.000 0.023 0.000 0.848 690 D CB 2.048 42.884 40.800 0.060 0.000 1.307 690 D HN 0.336 nan 8.370 nan 0.000 0.469 691 Q N 0.284 120.098 119.800 0.023 0.000 2.576 691 Q HA 0.664 5.010 4.340 0.010 0.000 0.249 691 Q C -0.552 175.387 176.000 -0.101 0.000 1.041 691 Q CA -0.644 55.101 55.803 -0.096 0.000 0.928 691 Q CB 1.726 30.415 28.738 -0.082 0.000 1.302 691 Q HN 0.400 nan 8.270 nan 0.000 0.504 692 I N 0.784 121.203 120.570 -0.252 0.000 2.441 692 I HA 0.316 4.491 4.170 0.010 0.000 0.295 692 I C -1.204 174.763 176.117 -0.249 0.000 0.994 692 I CA -0.984 60.067 61.300 -0.415 0.000 1.144 692 I CB 1.338 38.940 38.000 -0.663 0.000 1.314 692 I HN 0.523 nan 8.210 nan 0.000 0.445 693 Y N 5.946 126.053 120.300 -0.322 0.000 2.342 693 Y HA 0.207 4.762 4.550 0.008 0.000 0.338 693 Y C 1.115 176.884 175.900 -0.219 0.000 0.965 693 Y CA -0.234 57.741 58.100 -0.208 0.000 1.159 693 Y CB 1.198 39.588 38.460 -0.117 0.000 1.157 693 Y HN 0.600 nan 8.280 nan 0.000 0.486 694 Q N 4.503 123.869 119.800 -0.724 0.000 2.050 694 Q HA -0.027 4.319 4.340 0.010 0.000 0.202 694 Q C 1.477 177.099 176.000 -0.631 0.000 0.980 694 Q CA 2.269 57.725 55.803 -0.579 0.000 0.840 694 Q CB -0.326 28.156 28.738 -0.427 0.000 0.898 694 Q HN 1.270 nan 8.270 nan 0.000 0.424 695 G N -1.752 106.392 108.800 -1.093 0.000 2.175 695 G HA2 -0.259 3.707 3.960 0.010 0.000 0.244 695 G HA3 -0.259 3.707 3.960 0.010 0.000 0.244 695 G C 0.844 175.644 174.900 -0.168 0.000 0.982 695 G CA 0.710 45.442 45.100 -0.614 0.000 0.641 695 G HN 0.593 nan 8.290 nan 0.000 0.527 696 G N 0.204 108.895 108.800 -0.182 0.000 2.484 696 G HA2 0.394 4.360 3.960 0.010 0.000 0.218 696 G HA3 0.394 4.360 3.960 0.010 0.000 0.218 696 G C 0.856 175.851 174.900 0.159 0.000 1.130 696 G CA 1.292 46.387 45.100 -0.007 0.000 0.784 696 G HN 1.544 nan 8.290 nan 0.000 0.543 697 I N -4.422 116.187 120.570 0.064 0.000 3.074 697 I HA 0.554 4.730 4.170 0.010 0.000 0.310 697 I C 1.099 177.212 176.117 -0.007 0.000 1.153 697 I CA -1.128 60.259 61.300 0.145 0.000 0.993 697 I CB 1.949 39.968 38.000 0.031 0.000 1.237 697 I HN -0.199 nan 8.210 nan 0.000 0.443 698 V N 3.012 122.851 119.914 -0.124 0.000 2.392 698 V HA -0.169 3.956 4.120 0.010 0.000 0.249 698 V C 1.106 177.125 176.094 -0.124 0.000 1.059 698 V CA 1.775 63.832 62.300 -0.405 0.000 1.051 698 V CB -0.875 30.750 31.823 -0.331 0.000 0.658 698 V HN 0.907 nan 8.190 nan 0.000 0.455 699 N N 0.067 118.706 118.700 -0.101 0.000 2.453 699 N HA 0.233 4.979 4.740 0.010 0.000 0.253 699 N C -0.515 175.048 175.510 0.088 0.000 1.252 699 N CA 0.459 53.381 53.050 -0.214 0.000 0.917 699 N CB 0.794 38.894 38.487 -0.645 0.000 1.117 699 N HN 0.279 nan 8.380 nan 0.000 0.442 700 S N -0.751 115.027 115.700 0.130 0.000 2.557 700 S HA 0.519 4.994 4.470 0.010 0.000 0.291 700 S C 0.661 175.482 174.600 0.368 0.000 1.116 700 S CA -0.844 57.545 58.200 0.314 0.000 0.992 700 S CB 1.167 64.484 63.200 0.195 0.000 1.028 700 S HN 0.663 nan 8.310 nan 0.000 0.484 701 G N 2.393 111.341 108.800 0.247 0.000 3.042 701 G HA2 0.183 4.149 3.960 0.010 0.000 0.212 701 G HA3 0.183 4.149 3.960 0.010 0.000 0.212 701 G C 0.552 175.417 174.900 -0.058 0.000 1.166 701 G CA 0.391 45.500 45.100 0.014 0.000 0.767 701 G HN 0.844 nan 8.290 nan 0.000 0.546 702 V N 0.368 120.311 119.914 0.049 0.000 2.715 702 V HA 0.582 4.708 4.120 0.010 0.000 0.299 702 V C 1.093 177.276 176.094 0.148 0.000 1.054 702 V CA 0.971 63.316 62.300 0.074 0.000 1.077 702 V CB 0.605 32.480 31.823 0.087 0.000 0.972 702 V HN 1.278 nan 8.190 nan 0.000 0.484 703 G N 3.745 112.701 108.800 0.259 0.000 2.523 703 G HA2 -0.083 3.882 3.960 0.010 0.000 0.271 703 G HA3 -0.083 3.882 3.960 0.010 0.000 0.271 703 G C 0.559 175.626 174.900 0.278 0.000 1.146 703 G CA 0.675 45.993 45.100 0.364 0.000 0.961 703 G HN 2.506 nan 8.290 nan 0.000 0.549 704 V N -2.239 117.857 119.914 0.303 0.000 5.678 704 V HA 0.153 4.279 4.120 0.010 0.000 0.205 704 V C 1.116 177.412 176.094 0.336 0.000 0.703 704 V CA 1.899 64.393 62.300 0.323 0.000 0.545 704 V CB -1.936 30.078 31.823 0.317 0.000 0.202 704 V HN 2.515 nan 8.190 nan 0.000 0.481 705 G N 0.501 109.543 108.800 0.403 0.000 2.857 705 G HA2 0.779 4.745 3.960 0.010 0.000 0.217 705 G HA3 0.779 4.745 3.960 0.010 0.000 0.217 705 G C -0.334 174.797 174.900 0.384 0.000 1.357 705 G CA -0.276 45.020 45.100 0.327 0.000 1.033 705 G HN 1.579 nan 8.290 nan 0.000 0.571 706 S N -2.387 113.518 115.700 0.342 0.000 2.537 706 S HA 0.588 5.064 4.470 0.010 0.000 0.270 706 S C -1.574 173.218 174.600 0.320 0.000 1.142 706 S CA -0.459 57.926 58.200 0.308 0.000 0.870 706 S CB 1.810 65.146 63.200 0.226 0.000 1.112 706 S HN 0.638 nan 8.310 nan 0.000 0.466 707 V N 3.596 123.682 119.914 0.287 0.000 2.656 707 V HA 0.832 4.958 4.120 0.010 0.000 0.307 707 V C -0.436 175.803 176.094 0.242 0.000 1.051 707 V CA -0.497 61.963 62.300 0.266 0.000 0.893 707 V CB 1.650 33.652 31.823 0.299 0.000 0.999 707 V HN 0.928 nan 8.190 nan 0.000 0.426 708 V N 2.538 122.614 119.914 0.270 0.000 3.078 708 V HA 0.852 4.978 4.120 0.010 0.000 0.311 708 V C -0.983 175.323 176.094 0.353 0.000 1.138 708 V CA -0.795 61.668 62.300 0.271 0.000 1.007 708 V CB 2.082 34.025 31.823 0.199 0.000 1.045 708 V HN 0.475 nan 8.190 nan 0.000 0.432 709 V N 2.202 122.306 119.914 0.317 0.000 2.513 709 V HA 0.651 4.777 4.120 0.010 0.000 0.299 709 V C -0.181 176.096 176.094 0.304 0.000 1.035 709 V CA -0.542 61.960 62.300 0.336 0.000 0.889 709 V CB 1.728 33.710 31.823 0.265 0.000 0.988 709 V HN 1.025 nan 8.190 nan 0.000 0.440 710 K N 3.710 124.335 120.400 0.375 0.000 2.578 710 K HA 0.357 4.683 4.320 0.010 0.000 0.250 710 K C -0.623 176.147 176.600 0.284 0.000 0.955 710 K CA -0.372 56.073 56.287 0.262 0.000 0.825 710 K CB 1.367 33.961 32.500 0.156 0.000 1.151 710 K HN 0.864 nan 8.250 nan 0.000 0.432 711 D N 1.544 122.057 120.400 0.190 0.000 3.771 711 D HA -0.309 4.337 4.640 0.010 0.000 0.145 711 D C 0.456 176.842 176.300 0.143 0.000 0.892 711 D CA 1.835 55.931 54.000 0.161 0.000 1.080 711 D CB -0.634 40.269 40.800 0.171 0.000 0.498 711 D HN 0.876 nan 8.370 nan 0.000 0.499 712 N N 0.960 119.735 118.700 0.125 0.000 2.320 712 N HA 0.052 4.798 4.740 0.010 0.000 0.237 712 N C -0.693 174.617 175.510 -0.333 0.000 1.129 712 N CA 0.093 53.093 53.050 -0.083 0.000 0.854 712 N CB 0.045 38.436 38.487 -0.159 0.000 1.083 712 N HN 0.407 nan 8.380 nan 0.000 0.504 713 Y N 0.195 120.518 120.300 0.040 0.000 2.477 713 Y HA 0.522 5.077 4.550 0.010 0.000 0.347 713 Y C -0.358 175.498 175.900 -0.073 0.000 0.981 713 Y CA -1.020 57.027 58.100 -0.089 0.000 1.033 713 Y CB 2.249 40.559 38.460 -0.249 0.000 1.245 713 Y HN -0.099 nan 8.280 nan 0.000 0.455 714 I N 2.885 123.456 120.570 0.002 0.000 2.460 714 I HA 0.451 4.627 4.170 0.010 0.000 0.298 714 I C -1.639 174.406 176.117 -0.120 0.000 0.989 714 I CA -0.850 60.505 61.300 0.093 0.000 1.173 714 I CB 1.069 39.204 38.000 0.225 0.000 1.338 714 I HN 0.586 nan 8.210 nan 0.000 0.456 715 Y N 6.696 127.078 120.300 0.137 0.000 2.331 715 Y HA 0.319 4.875 4.550 0.010 0.000 0.334 715 Y C -0.988 174.921 175.900 0.015 0.000 0.960 715 Y CA -0.593 57.567 58.100 0.099 0.000 1.130 715 Y CB 1.367 39.903 38.460 0.126 0.000 1.164 715 Y HN 0.404 nan 8.280 nan 0.000 0.458 716 Y N 4.722 124.938 120.300 -0.140 0.000 2.369 716 Y HA 0.621 5.176 4.550 0.009 0.000 0.337 716 Y C -1.279 174.741 175.900 0.199 0.000 0.961 716 Y CA -2.015 55.926 58.100 -0.265 0.000 1.186 716 Y CB 0.720 38.599 38.460 -0.970 0.000 1.139 716 Y HN 0.654 nan 8.280 nan 0.000 0.494 717 M N 8.715 128.329 119.600 0.023 0.000 2.180 717 M HA 0.509 4.995 4.480 0.010 0.000 0.350 717 M C -1.298 174.941 176.300 -0.102 0.000 1.125 717 M CA -0.256 55.017 55.300 -0.045 0.000 1.031 717 M CB 0.867 33.432 32.600 -0.058 0.000 1.623 717 M HN 0.561 nan 8.290 nan 0.000 0.451 718 F N -0.252 119.435 119.950 -0.439 0.000 2.719 718 F HA 0.875 5.407 4.527 0.009 0.000 0.309 718 F C -0.288 175.399 175.800 -0.187 0.000 1.138 718 F CA -1.494 56.274 58.000 -0.386 0.000 0.943 718 F CB 0.629 39.183 39.000 -0.743 0.000 1.304 718 F HN 0.562 nan 8.300 nan 0.000 0.445 719 G N -0.273 108.441 108.800 -0.143 0.000 2.507 719 G HA2 0.581 4.547 3.960 0.010 0.000 0.271 719 G HA3 0.581 4.547 3.960 0.010 0.000 0.271 719 G C -0.631 174.172 174.900 -0.162 0.000 1.189 719 G CA -0.412 44.569 45.100 -0.198 0.000 0.859 719 G HN 1.296 nan 8.290 nan 0.000 0.542 720 G N -0.231 108.523 108.800 -0.078 0.000 2.718 720 G HA2 0.606 4.572 3.960 0.010 0.000 0.295 720 G HA3 0.606 4.572 3.960 0.010 0.000 0.295 720 G C -0.815 174.047 174.900 -0.063 0.000 1.421 720 G CA -0.625 44.383 45.100 -0.153 0.000 0.902 720 G HN 0.569 nan 8.290 nan 0.000 0.501 721 E N -0.739 119.363 120.200 -0.162 0.000 2.518 721 E HA 0.602 4.958 4.350 0.010 0.000 0.248 721 E C -0.767 175.688 176.600 -0.242 0.000 1.028 721 E CA -0.685 55.596 56.400 -0.199 0.000 0.922 721 E CB 1.433 30.985 29.700 -0.246 0.000 1.299 721 E HN 0.644 nan 8.360 nan 0.000 0.457 722 D N -1.921 118.299 120.400 -0.300 0.000 2.744 722 D HA 0.161 4.807 4.640 0.010 0.000 0.304 722 D C 0.193 176.185 176.300 -0.513 0.000 1.179 722 D CA -0.562 53.190 54.000 -0.413 0.000 1.024 722 D CB 0.182 40.803 40.800 -0.299 0.000 1.453 722 D HN 0.331 nan 8.370 nan 0.000 0.529 723 H N -1.036 117.757 119.070 -0.463 0.000 2.547 723 H HA 0.176 4.737 4.556 0.009 0.000 0.266 723 H C -0.224 174.906 175.328 -0.330 0.000 0.988 723 H CA 0.107 55.918 56.048 -0.395 0.000 1.147 723 H CB -0.244 29.316 29.762 -0.337 0.000 1.365 723 H HN 0.187 nan 8.280 nan 0.000 0.589 724 F N 1.921 121.805 119.950 -0.110 0.000 2.438 724 F HA 0.074 4.607 4.527 0.010 0.000 0.360 724 F C 1.229 176.797 175.800 -0.386 0.000 1.118 724 F CA -0.948 56.944 58.000 -0.180 0.000 1.164 724 F CB -0.027 38.897 39.000 -0.127 0.000 1.131 724 F HN -0.035 nan 8.300 nan 0.000 0.527 725 N N 6.211 124.629 118.700 -0.470 0.000 2.454 725 N HA 0.014 4.760 4.740 0.010 0.000 0.260 725 N C -1.482 173.359 175.510 -1.114 0.000 1.218 725 N CA -1.090 51.386 53.050 -0.956 0.000 0.904 725 N CB 1.230 38.690 38.487 -1.712 0.000 1.065 725 N HN 0.222 nan 8.380 nan 0.000 0.462 726 P HA -0.049 nan 4.420 nan 0.000 0.233 726 P C -0.511 176.625 177.300 -0.274 0.000 1.167 726 P CA 0.577 63.417 63.100 -0.433 0.000 0.770 726 P CB -0.150 31.459 31.700 -0.153 0.000 0.837 727 W N -1.666 119.621 121.300 -0.020 0.000 4.435 727 W HA -0.190 4.475 4.660 0.009 0.000 0.351 727 W C 1.161 177.667 176.519 -0.021 0.000 1.319 727 W CA 0.197 57.540 57.345 -0.002 0.000 0.791 727 W CB -3.155 26.301 29.460 -0.006 0.000 2.419 727 W HN -0.079 nan 8.180 nan 0.000 1.406 728 T N -1.309 113.270 114.554 0.042 0.000 2.720 728 T HA -0.221 4.135 4.350 0.010 0.000 0.268 728 T C 0.498 175.124 174.700 -0.124 0.000 1.037 728 T CA 1.469 63.504 62.100 -0.108 0.000 1.144 728 T CB -0.254 68.424 68.868 -0.316 0.000 0.864 728 T HN 0.216 nan 8.240 nan 0.000 0.444 729 Y N 1.276 121.692 120.300 0.193 0.000 2.751 729 Y HA 0.539 5.097 4.550 0.014 0.000 0.333 729 Y C 1.000 177.045 175.900 0.241 0.000 1.122 729 Y CA -0.689 57.519 58.100 0.181 0.000 1.367 729 Y CB 0.535 39.091 38.460 0.160 0.000 1.242 729 Y HN 0.312 nan 8.280 nan 0.000 0.505 730 G N 1.601 110.589 108.800 0.313 0.000 2.398 730 G HA2 -0.112 3.854 3.960 0.010 0.000 0.251 730 G HA3 -0.112 3.854 3.960 0.010 0.000 0.251 730 G C -0.801 174.185 174.900 0.144 0.000 1.277 730 G CA -0.241 44.999 45.100 0.233 0.000 0.927 730 G HN 0.406 nan 8.290 nan 0.000 0.477 731 D N -0.608 119.837 120.400 0.074 0.000 2.328 731 D HA 0.061 4.707 4.640 0.010 0.000 0.226 731 D C 0.671 177.019 176.300 0.080 0.000 1.066 731 D CA 0.413 54.435 54.000 0.037 0.000 0.861 731 D CB -0.045 40.726 40.800 -0.048 0.000 0.912 731 D HN 0.405 nan 8.370 nan 0.000 0.521 732 N N 0.190 118.974 118.700 0.140 0.000 2.599 732 N HA 0.009 4.755 4.740 0.010 0.000 0.309 732 N C 0.815 176.390 175.510 0.108 0.000 1.743 732 N CA 0.130 53.254 53.050 0.123 0.000 0.918 732 N CB 0.492 39.062 38.487 0.138 0.000 1.339 732 N HN 0.090 nan 8.380 nan 0.000 0.493 733 S N -0.736 115.022 115.700 0.096 0.000 2.420 733 S HA -0.180 4.296 4.470 0.010 0.000 0.237 733 S C 1.905 176.550 174.600 0.074 0.000 1.023 733 S CA 1.070 59.314 58.200 0.074 0.000 0.991 733 S CB -0.143 63.109 63.200 0.086 0.000 0.792 733 S HN 0.394 nan 8.310 nan 0.000 0.488 734 A N 1.422 124.292 122.820 0.084 0.000 2.119 734 A HA 0.184 4.510 4.320 0.010 0.000 0.217 734 A C 1.218 178.872 177.584 0.117 0.000 1.153 734 A CA 0.841 52.932 52.037 0.089 0.000 0.692 734 A CB -0.615 18.436 19.000 0.086 0.000 0.799 734 A HN 0.587 nan 8.150 nan 0.000 0.458 735 K N -0.525 119.957 120.400 0.138 0.000 3.230 735 K HA -0.165 4.161 4.320 0.010 0.000 0.285 735 K C -0.559 176.191 176.600 0.249 0.000 1.196 735 K CA 0.714 57.145 56.287 0.240 0.000 0.838 735 K CB -1.609 31.050 32.500 0.265 0.000 1.262 735 K HN 0.610 nan 8.250 nan 0.000 0.492 736 D N 0.871 121.348 120.400 0.128 0.000 2.451 736 D HA 0.013 4.659 4.640 0.010 0.000 0.254 736 D C -1.377 174.881 176.300 -0.071 0.000 1.204 736 D CA -1.741 52.308 54.000 0.081 0.000 0.896 736 D CB 1.024 41.882 40.800 0.097 0.000 1.136 736 D HN -0.011 nan 8.370 nan 0.000 0.499 737 P HA -0.070 nan 4.420 nan 0.000 0.222 737 P C 0.592 177.446 177.300 -0.743 0.000 1.147 737 P CA 0.846 63.570 63.100 -0.626 0.000 0.790 737 P CB 0.015 30.997 31.700 -1.196 0.000 0.780 738 F N -1.248 118.667 119.950 -0.058 0.000 2.765 738 F HA 0.134 4.667 4.527 0.011 0.000 0.302 738 F C 1.019 176.804 175.800 -0.024 0.000 1.111 738 F CA 0.115 58.087 58.000 -0.047 0.000 1.359 738 F CB -0.438 38.548 39.000 -0.023 0.000 1.097 738 F HN -0.317 nan 8.300 nan 0.000 0.577 739 K N 0.498 120.927 120.400 0.048 0.000 2.172 739 K HA 0.354 4.680 4.320 0.010 0.000 0.276 739 K C 0.904 177.513 176.600 0.014 0.000 1.013 739 K CA 0.007 56.320 56.287 0.044 0.000 0.913 739 K CB 1.372 33.901 32.500 0.048 0.000 1.055 739 K HN 0.100 nan 8.250 nan 0.000 0.461 740 S N 1.849 117.567 115.700 0.030 0.000 3.949 740 S HA -0.239 4.236 4.470 0.010 0.000 0.626 740 S C 0.326 174.898 174.600 -0.047 0.000 2.168 740 S CA 1.556 59.775 58.200 0.031 0.000 4.124 740 S CB -1.024 62.280 63.200 0.174 0.000 0.220 740 S HN 0.781 nan 8.310 nan 0.000 0.750 741 D N 2.746 123.093 120.400 -0.089 0.000 2.342 741 D HA 0.367 5.013 4.640 0.010 0.000 0.221 741 D C 1.309 177.500 176.300 -0.183 0.000 1.101 741 D CA 1.135 55.012 54.000 -0.205 0.000 0.837 741 D CB -0.217 40.346 40.800 -0.394 0.000 0.938 741 D HN 0.966 nan 8.370 nan 0.000 0.508 742 G N 1.272 109.943 108.800 -0.214 0.000 2.582 742 G HA2 -0.291 3.675 3.960 0.010 0.000 0.288 742 G HA3 -0.291 3.675 3.960 0.010 0.000 0.288 742 G C -0.396 174.227 174.900 -0.461 0.000 1.247 742 G CA -0.127 44.752 45.100 -0.369 0.000 0.972 742 G HN 0.480 nan 8.290 nan 0.000 0.557 743 H N 2.149 121.154 119.070 -0.107 0.000 2.467 743 H HA 0.466 5.027 4.556 0.009 0.000 0.326 743 H C -1.126 174.096 175.328 -0.177 0.000 1.094 743 H CA -1.172 54.808 56.048 -0.112 0.000 1.253 743 H CB 1.975 31.731 29.762 -0.011 0.000 1.439 743 H HN 0.335 nan 8.280 nan 0.000 0.479 744 P HA -0.073 nan 4.420 nan 0.000 0.229 744 P C 0.436 177.606 177.300 -0.216 0.000 1.160 744 P CA 0.370 63.386 63.100 -0.140 0.000 0.777 744 P CB 0.501 32.097 31.700 -0.173 0.000 0.814 745 S N 0.607 116.071 115.700 -0.394 0.000 2.533 745 S HA 0.166 4.642 4.470 0.010 0.000 0.282 745 S C -0.115 174.314 174.600 -0.284 0.000 1.304 745 S CA 0.020 57.962 58.200 -0.429 0.000 1.063 745 S CB -0.233 62.472 63.200 -0.826 0.000 0.881 745 S HN -0.006 nan 8.310 nan 0.000 0.493 746 D N 2.201 122.458 120.400 -0.238 0.000 2.579 746 D HA 0.380 5.026 4.640 0.010 0.000 0.257 746 D C -0.781 175.267 176.300 -0.419 0.000 1.176 746 D CA -0.486 53.320 54.000 -0.323 0.000 0.914 746 D CB 1.391 41.986 40.800 -0.343 0.000 1.431 746 D HN 0.412 nan 8.370 nan 0.000 0.454 747 L N 1.049 121.913 121.223 -0.599 0.000 2.357 747 L HA 0.443 4.789 4.340 0.010 0.000 0.273 747 L C -0.763 175.576 176.870 -0.886 0.000 1.080 747 L CA -0.541 53.920 54.840 -0.632 0.000 0.803 747 L CB 0.524 42.191 42.059 -0.653 0.000 1.174 747 L HN 0.301 nan 8.230 nan 0.000 0.443 748 Y N 0.439 120.300 120.300 -0.732 0.000 2.602 748 Y HA 0.541 5.097 4.550 0.010 0.000 0.342 748 Y C -0.261 175.287 175.900 -0.586 0.000 1.029 748 Y CA -0.730 56.957 58.100 -0.689 0.000 1.080 748 Y CB 2.093 40.026 38.460 -0.879 0.000 1.284 748 Y HN 0.495 nan 8.280 nan 0.000 0.485 749 C N 2.187 121.442 119.300 -0.076 0.000 2.516 749 C HA 0.491 4.957 4.460 0.010 0.000 0.338 749 C C -1.576 173.659 174.990 0.409 0.000 1.132 749 C CA -0.840 58.253 59.018 0.124 0.000 1.310 749 C CB -0.686 27.023 27.740 -0.053 0.000 1.898 749 C HN 0.791 nan 8.230 nan 0.000 0.452 750 Y N 5.225 125.775 120.300 0.415 0.000 2.383 750 Y HA 0.442 4.998 4.550 0.010 0.000 0.344 750 Y C 0.343 176.360 175.900 0.196 0.000 0.986 750 Y CA 0.249 58.557 58.100 0.347 0.000 1.175 750 Y CB 0.437 39.106 38.460 0.348 0.000 1.152 750 Y HN 0.733 nan 8.280 nan 0.000 0.511 751 K N 8.308 128.610 120.400 -0.163 0.000 2.263 751 K HA 0.390 4.715 4.320 0.010 0.000 0.272 751 K C -1.280 175.216 176.600 -0.174 0.000 1.033 751 K CA -0.657 55.498 56.287 -0.219 0.000 0.884 751 K CB 0.686 33.094 32.500 -0.154 0.000 1.107 751 K HN 0.853 nan 8.250 nan 0.000 0.460 752 M N 4.728 124.333 119.600 0.009 0.000 2.253 752 M HA 0.265 4.750 4.480 0.010 0.000 0.314 752 M C -1.095 175.239 176.300 0.056 0.000 1.019 752 M CA -0.736 54.641 55.300 0.128 0.000 0.932 752 M CB 1.511 34.269 32.600 0.264 0.000 1.606 752 M HN 0.523 nan 8.290 nan 0.000 0.430 753 K N 3.566 123.949 120.400 -0.030 0.000 2.379 753 K HA 0.163 4.489 4.320 0.010 0.000 0.284 753 K C -0.133 176.311 176.600 -0.259 0.000 1.044 753 K CA 0.124 56.172 56.287 -0.397 0.000 0.974 753 K CB 0.619 32.911 32.500 -0.346 0.000 0.962 753 K HN 0.782 nan 8.250 nan 0.000 0.474 754 I N 2.609 122.997 120.570 -0.303 0.000 4.240 754 I HA 0.279 4.455 4.170 0.010 0.000 0.331 754 I C 0.098 176.132 176.117 -0.137 0.000 1.381 754 I CA 0.033 61.243 61.300 -0.149 0.000 1.136 754 I CB 1.214 39.175 38.000 -0.065 0.000 1.137 754 I HN 0.751 nan 8.210 nan 0.000 0.411 755 G N -0.249 108.432 108.800 -0.198 0.000 2.576 755 G HA2 0.474 4.440 3.960 0.010 0.000 0.290 755 G HA3 0.474 4.440 3.960 0.010 0.000 0.290 755 G C -3.161 171.648 174.900 -0.152 0.000 1.442 755 G CA -0.945 44.075 45.100 -0.134 0.000 0.792 755 G HN -0.315 nan 8.290 nan 0.000 0.491 756 P HA 0.186 nan 4.420 nan 0.000 0.268 756 P C -0.972 176.295 177.300 -0.056 0.000 1.205 756 P CA 0.012 63.071 63.100 -0.068 0.000 0.771 756 P CB 0.792 32.469 31.700 -0.038 0.000 0.858 757 D N 2.175 122.556 120.400 -0.032 0.000 2.441 757 D HA 0.130 4.776 4.640 0.010 0.000 0.231 757 D C -0.269 176.047 176.300 0.027 0.000 1.073 757 D CA -0.232 53.780 54.000 0.019 0.000 0.850 757 D CB -0.053 40.787 40.800 0.067 0.000 1.062 757 D HN 0.209 nan 8.370 nan 0.000 0.524 758 N N 2.369 121.085 118.700 0.027 0.000 2.327 758 N HA 0.126 4.872 4.740 0.010 0.000 0.231 758 N C 0.031 175.558 175.510 0.029 0.000 1.130 758 N CA -0.093 52.970 53.050 0.022 0.000 0.845 758 N CB 0.681 39.178 38.487 0.016 0.000 1.073 758 N HN 0.074 nan 8.380 nan 0.000 0.496 759 R N 0.059 120.583 120.500 0.040 0.000 2.803 759 R HA 0.450 4.796 4.340 0.010 0.000 0.276 759 R C -0.376 175.949 176.300 0.041 0.000 0.978 759 R CA -0.923 55.201 56.100 0.039 0.000 0.939 759 R CB 1.937 32.265 30.300 0.046 0.000 1.179 759 R HN -0.075 nan 8.270 nan 0.000 0.472 760 V N 1.341 121.275 119.914 0.034 0.000 3.139 760 V HA -0.071 4.055 4.120 0.010 0.000 0.307 760 V C 0.891 177.010 176.094 0.041 0.000 1.095 760 V CA 0.315 62.636 62.300 0.034 0.000 1.160 760 V CB 1.481 33.320 31.823 0.028 0.000 1.003 760 V HN 0.811 nan 8.190 nan 0.000 0.489 761 S N 1.925 117.649 115.700 0.041 0.000 2.558 761 S HA 0.081 4.557 4.470 0.010 0.000 0.288 761 S C 0.887 175.513 174.600 0.044 0.000 1.318 761 S CA -0.090 58.135 58.200 0.042 0.000 1.056 761 S CB 0.158 63.380 63.200 0.037 0.000 0.853 761 S HN 0.632 nan 8.310 nan 0.000 0.505 762 R N 1.620 122.141 120.500 0.035 0.000 2.334 762 R HA 0.283 4.629 4.340 0.010 0.000 0.212 762 R C -0.428 175.907 176.300 0.060 0.000 0.897 762 R CA -0.047 56.084 56.100 0.052 0.000 1.056 762 R CB 0.085 30.401 30.300 0.027 0.000 1.046 762 R HN 0.567 nan 8.270 nan 0.000 0.513 763 D N 1.121 121.520 120.400 -0.002 0.000 2.455 763 D HA 0.040 4.686 4.640 0.010 0.000 0.241 763 D C -0.172 176.144 176.300 0.027 0.000 1.138 763 D CA 0.601 54.551 54.000 -0.084 0.000 0.877 763 D CB 0.416 41.182 40.800 -0.057 0.000 1.187 763 D HN 0.029 nan 8.370 nan 0.000 0.451 764 F N -0.880 119.101 119.950 0.052 0.000 2.593 764 F HA 0.582 5.115 4.527 0.010 0.000 0.320 764 F C 0.057 175.905 175.800 0.081 0.000 1.060 764 F CA -1.638 56.392 58.000 0.050 0.000 0.940 764 F CB 1.263 40.283 39.000 0.034 0.000 1.268 764 F HN 0.011 nan 8.300 nan 0.000 0.475 765 R N 1.629 122.317 120.500 0.313 0.000 2.308 765 R HA 0.289 4.635 4.340 0.010 0.000 0.305 765 R C -1.662 174.885 176.300 0.411 0.000 1.053 765 R CA -0.551 55.707 56.100 0.264 0.000 0.957 765 R CB 0.570 30.959 30.300 0.149 0.000 1.022 765 R HN 0.853 nan 8.270 nan 0.000 0.461 766 Y N 3.475 123.946 120.300 0.285 0.000 2.486 766 Y HA 0.317 4.874 4.550 0.010 0.000 0.348 766 Y C 0.685 176.657 175.900 0.121 0.000 1.000 766 Y CA 0.452 58.706 58.100 0.257 0.000 1.253 766 Y CB 1.274 39.886 38.460 0.252 0.000 1.140 766 Y HN 0.852 nan 8.280 nan 0.000 0.526 767 G N 4.236 112.939 108.800 -0.162 0.000 3.441 767 G HA2 0.390 4.356 3.960 0.010 0.000 0.263 767 G HA3 0.390 4.356 3.960 0.010 0.000 0.263 767 G C 0.116 174.890 174.900 -0.211 0.000 1.014 767 G CA 0.281 45.320 45.100 -0.102 0.000 0.833 767 G HN 0.837 nan 8.290 nan 0.000 0.514 768 A N 0.024 122.532 122.820 -0.520 0.000 2.287 768 A HA 0.636 4.962 4.320 0.010 0.000 0.273 768 A C 0.140 177.644 177.584 -0.133 0.000 1.091 768 A CA -0.253 51.554 52.037 -0.383 0.000 0.817 768 A CB 0.899 19.562 19.000 -0.561 0.000 1.069 768 A HN 0.261 nan 8.150 nan 0.000 0.492 769 V N 2.582 122.464 119.914 -0.055 0.000 2.508 769 V HA 0.197 4.322 4.120 0.010 0.000 0.281 769 V C -2.001 174.136 176.094 0.072 0.000 1.041 769 V CA -0.792 61.525 62.300 0.028 0.000 1.016 769 V CB 0.605 32.424 31.823 -0.007 0.000 0.984 769 V HN 0.745 nan 8.190 nan 0.000 0.478 770 P HA 0.178 nan 4.420 nan 0.000 0.271 770 P C 0.064 177.391 177.300 0.044 0.000 1.233 770 P CA 0.243 63.444 63.100 0.169 0.000 0.764 770 P CB 0.186 31.967 31.700 0.135 0.000 0.825 771 N N 2.327 121.038 118.700 0.017 0.000 2.466 771 N HA 0.090 4.836 4.740 0.010 0.000 0.272 771 N C 0.671 176.164 175.510 -0.029 0.000 1.455 771 N CA -0.244 52.769 53.050 -0.062 0.000 0.875 771 N CB 0.289 38.688 38.487 -0.147 0.000 1.372 771 N HN 0.077 nan 8.380 nan 0.000 0.492 772 R N 0.143 120.644 120.500 0.001 0.000 2.121 772 R HA 0.282 4.627 4.340 0.010 0.000 0.206 772 R C 2.018 178.309 176.300 -0.015 0.000 1.094 772 R CA 0.637 56.739 56.100 0.005 0.000 1.055 772 R CB -0.894 29.411 30.300 0.009 0.000 0.964 772 R HN 0.139 nan 8.270 nan 0.000 0.473 773 A N 1.000 123.806 122.820 -0.023 0.000 1.858 773 A HA -0.020 4.306 4.320 0.010 0.000 0.216 773 A C 0.861 178.411 177.584 -0.057 0.000 1.190 773 A CA 1.216 53.225 52.037 -0.046 0.000 0.617 773 A CB -0.014 18.962 19.000 -0.040 0.000 0.827 773 A HN 0.051 nan 8.150 nan 0.000 0.443 774 V N 1.229 121.117 119.914 -0.044 0.000 2.380 774 V HA 0.266 4.392 4.120 0.010 0.000 0.268 774 V C -2.882 173.186 176.094 -0.044 0.000 1.008 774 V CA -1.450 60.828 62.300 -0.038 0.000 0.823 774 V CB 1.043 32.851 31.823 -0.025 0.000 1.053 774 V HN 0.192 nan 8.190 nan 0.000 0.446 775 P HA 0.203 nan 4.420 nan 0.000 0.270 775 P C -0.501 176.726 177.300 -0.122 0.000 1.242 775 P CA 0.315 63.389 63.100 -0.045 0.000 0.768 775 P CB 0.851 32.657 31.700 0.177 0.000 0.820 776 V N 5.457 125.104 119.914 -0.444 0.000 2.555 776 V HA 0.532 4.658 4.120 0.010 0.000 0.302 776 V C -0.364 175.221 176.094 -0.849 0.000 1.038 776 V CA -0.365 61.697 62.300 -0.397 0.000 0.887 776 V CB 1.185 32.844 31.823 -0.272 0.000 0.991 776 V HN 0.323 nan 8.190 nan 0.000 0.434 777 F N 2.956 122.868 119.950 -0.062 0.000 2.556 777 F HA 0.575 5.108 4.527 0.010 0.000 0.314 777 F C -0.390 175.385 175.800 -0.042 0.000 1.106 777 F CA -0.681 57.323 58.000 0.007 0.000 0.911 777 F CB 1.603 40.613 39.000 0.018 0.000 1.190 777 F HN 0.276 nan 8.300 nan 0.000 0.448 778 F N 2.887 122.909 119.950 0.121 0.000 2.502 778 F HA 0.144 4.677 4.527 0.010 0.000 0.371 778 F C 0.865 176.723 175.800 0.096 0.000 1.083 778 F CA -0.571 57.477 58.000 0.080 0.000 1.174 778 F CB 0.086 39.110 39.000 0.040 0.000 1.096 778 F HN 0.462 nan 8.300 nan 0.000 0.545 779 D N 0.565 121.072 120.400 0.179 0.000 2.384 779 D HA -0.022 4.624 4.640 0.010 0.000 0.244 779 D C 1.291 177.664 176.300 0.122 0.000 1.251 779 D CA -0.048 54.027 54.000 0.124 0.000 0.961 779 D CB 0.199 41.039 40.800 0.066 0.000 1.116 779 D HN 0.530 nan 8.370 nan 0.000 0.484 780 T N -2.717 111.884 114.554 0.077 0.000 3.051 780 T HA -0.165 4.190 4.350 0.010 0.000 0.269 780 T C 1.201 175.935 174.700 0.057 0.000 1.127 780 T CA 1.086 63.222 62.100 0.061 0.000 1.107 780 T CB -0.481 68.409 68.868 0.037 0.000 0.898 780 T HN 0.464 nan 8.240 nan 0.000 0.517 781 N N 0.874 119.611 118.700 0.061 0.000 2.336 781 N HA 0.233 4.979 4.740 0.010 0.000 0.189 781 N C 1.316 176.875 175.510 0.082 0.000 1.113 781 N CA 0.643 53.726 53.050 0.055 0.000 0.858 781 N CB -0.327 38.182 38.487 0.038 0.000 0.970 781 N HN 0.543 nan 8.380 nan 0.000 0.471 782 G N -0.389 108.491 108.800 0.132 0.000 2.147 782 G HA2 -0.222 3.744 3.960 0.010 0.000 0.244 782 G HA3 -0.222 3.744 3.960 0.010 0.000 0.244 782 G C -0.478 174.580 174.900 0.263 0.000 1.005 782 G CA 0.485 45.719 45.100 0.222 0.000 0.713 782 G HN 0.217 nan 8.290 nan 0.000 0.515 783 V N 0.482 120.472 119.914 0.127 0.000 2.459 783 V HA 0.470 4.596 4.120 0.010 0.000 0.295 783 V C 1.066 177.058 176.094 -0.170 0.000 1.029 783 V CA -1.094 61.204 62.300 -0.003 0.000 0.874 783 V CB 1.604 33.426 31.823 -0.002 0.000 0.985 783 V HN 0.399 nan 8.190 nan 0.000 0.438 784 R N 2.417 122.675 120.500 -0.403 0.000 2.480 784 R HA 0.269 4.615 4.340 0.010 0.000 0.303 784 R C -0.219 175.953 176.300 -0.214 0.000 0.985 784 R CA 0.380 56.161 56.100 -0.531 0.000 1.051 784 R CB 0.117 30.120 30.300 -0.495 0.000 0.935 784 R HN 0.719 nan 8.270 nan 0.000 0.410 785 T N 2.539 117.024 114.554 -0.116 0.000 2.841 785 T HA 0.286 4.642 4.350 0.010 0.000 0.285 785 T C -0.624 174.134 174.700 0.096 0.000 0.991 785 T CA -0.619 61.487 62.100 0.010 0.000 0.966 785 T CB 1.799 70.698 68.868 0.052 0.000 0.962 785 T HN 0.153 nan 8.240 nan 0.000 0.438 786 V N 6.427 126.384 119.914 0.073 0.000 2.313 786 V HA 0.288 4.414 4.120 0.010 0.000 0.278 786 V C -1.489 174.664 176.094 0.098 0.000 1.017 786 V CA -1.350 61.013 62.300 0.105 0.000 0.823 786 V CB 1.251 33.116 31.823 0.070 0.000 1.010 786 V HN 0.758 nan 8.190 nan 0.000 0.443 787 P HA 0.219 nan 4.420 nan 0.000 0.245 787 P C 0.482 177.803 177.300 0.034 0.000 1.203 787 P CA 0.201 63.329 63.100 0.046 0.000 0.792 787 P CB 0.437 32.130 31.700 -0.011 0.000 0.997 788 A N 2.121 124.973 122.820 0.053 0.000 2.388 788 A HA 0.483 4.809 4.320 0.010 0.000 0.257 788 A C -2.020 175.571 177.584 0.011 0.000 1.095 788 A CA -1.128 50.923 52.037 0.023 0.000 0.791 788 A CB -0.714 18.298 19.000 0.020 0.000 1.029 788 A HN 0.049 nan 8.150 nan 0.000 0.489 789 P HA 0.359 nan 4.420 nan 0.000 0.271 789 P C -0.691 176.589 177.300 -0.033 0.000 1.216 789 P CA 0.362 63.458 63.100 -0.008 0.000 0.776 789 P CB 0.642 32.331 31.700 -0.018 0.000 0.881 790 M N 1.291 120.876 119.600 -0.024 0.000 2.531 790 M HA 0.318 4.803 4.480 0.010 0.000 0.286 790 M C -0.569 175.679 176.300 -0.087 0.000 1.232 790 M CA -0.658 54.579 55.300 -0.106 0.000 0.877 790 M CB 3.083 35.600 32.600 -0.138 0.000 1.726 790 M HN 0.198 nan 8.290 nan 0.000 0.463 791 E N 1.870 121.940 120.200 -0.216 0.000 2.199 791 E HA 0.464 4.820 4.350 0.010 0.000 0.265 791 E C -1.709 174.721 176.600 -0.285 0.000 0.882 791 E CA -0.233 56.092 56.400 -0.126 0.000 0.759 791 E CB 2.001 31.649 29.700 -0.086 0.000 1.148 791 E HN 0.414 nan 8.360 nan 0.000 0.412 792 F N 1.219 121.151 119.950 -0.029 0.000 2.375 792 F HA 0.146 4.679 4.527 0.010 0.000 0.361 792 F C 1.607 177.393 175.800 -0.023 0.000 1.117 792 F CA -0.418 57.559 58.000 -0.039 0.000 1.037 792 F CB 1.515 40.491 39.000 -0.040 0.000 1.192 792 F HN 0.336 nan 8.300 nan 0.000 0.452 793 T N -0.914 113.695 114.554 0.091 0.000 3.037 793 T HA 0.256 4.612 4.350 0.010 0.000 0.251 793 T C 1.021 175.762 174.700 0.069 0.000 1.079 793 T CA 0.136 62.286 62.100 0.083 0.000 1.067 793 T CB -0.042 68.879 68.868 0.088 0.000 0.948 793 T HN 0.551 nan 8.240 nan 0.000 0.496 794 G N 1.161 109.987 108.800 0.043 0.000 2.537 794 G HA2 0.434 4.400 3.960 0.010 0.000 0.273 794 G HA3 0.434 4.400 3.960 0.010 0.000 0.273 794 G C -0.909 174.016 174.900 0.042 0.000 1.189 794 G CA -0.665 44.445 45.100 0.017 0.000 0.881 794 G HN 0.227 nan 8.290 nan 0.000 0.535 795 D N -0.412 120.008 120.400 0.034 0.000 2.493 795 D HA 0.178 4.824 4.640 0.010 0.000 0.240 795 D C -0.098 176.206 176.300 0.007 0.000 1.142 795 D CA 0.304 54.319 54.000 0.026 0.000 0.872 795 D CB 1.399 42.216 40.800 0.028 0.000 1.173 795 D HN -0.087 nan 8.370 nan 0.000 0.467 796 L N 1.729 122.946 121.223 -0.011 0.000 2.329 796 L HA 0.540 4.886 4.340 0.010 0.000 0.279 796 L C 0.564 177.403 176.870 -0.051 0.000 1.014 796 L CA -0.581 54.227 54.840 -0.054 0.000 0.814 796 L CB 1.944 43.939 42.059 -0.105 0.000 1.257 796 L HN 0.388 nan 8.230 nan 0.000 0.424 797 G N 4.744 113.509 108.800 -0.057 0.000 2.417 797 G HA2 0.653 4.618 3.960 0.010 0.000 0.320 797 G HA3 0.653 4.618 3.960 0.010 0.000 0.320 797 G C -1.077 173.780 174.900 -0.072 0.000 1.204 797 G CA -0.385 44.684 45.100 -0.051 0.000 0.923 797 G HN 0.456 nan 8.290 nan 0.000 0.466 798 L N 1.847 123.026 121.223 -0.072 0.000 2.319 798 L HA 0.722 5.068 4.340 0.010 0.000 0.267 798 L C 1.164 177.999 176.870 -0.058 0.000 1.011 798 L CA -1.040 53.751 54.840 -0.081 0.000 0.818 798 L CB 2.062 44.062 42.059 -0.099 0.000 1.316 798 L HN 0.647 nan 8.230 nan 0.000 0.432 799 G N -1.305 107.469 108.800 -0.043 0.000 3.286 799 G HA2 0.058 4.024 3.960 0.010 0.000 0.173 799 G HA3 0.058 4.024 3.960 0.010 0.000 0.173 799 G C -0.245 174.651 174.900 -0.007 0.000 1.704 799 G CA -0.203 44.889 45.100 -0.012 0.000 1.041 799 G HN 0.623 nan 8.290 nan 0.000 0.561 800 H N -0.184 118.859 119.070 -0.045 0.000 2.886 800 H HA 0.353 4.915 4.556 0.010 0.000 0.329 800 H C -0.970 174.331 175.328 -0.046 0.000 1.044 800 H CA 0.222 56.244 56.048 -0.044 0.000 1.456 800 H CB 0.706 30.446 29.762 -0.037 0.000 1.464 800 H HN -0.024 nan 8.280 nan 0.000 0.573 801 V N 5.344 124.971 119.914 -0.477 0.000 2.588 801 V HA 0.199 4.325 4.120 0.010 0.000 0.304 801 V C -0.073 175.874 176.094 -0.245 0.000 1.042 801 V CA -0.714 61.447 62.300 -0.232 0.000 0.877 801 V CB 2.094 33.811 31.823 -0.177 0.000 0.996 801 V HN 0.847 nan 8.190 nan 0.000 0.425 802 T N 5.821 120.345 114.554 -0.049 0.000 2.807 802 T HA 0.582 4.938 4.350 0.010 0.000 0.279 802 T C -0.420 174.271 174.700 -0.015 0.000 0.993 802 T CA -0.344 61.753 62.100 -0.006 0.000 0.970 802 T CB 1.168 70.083 68.868 0.078 0.000 0.950 802 T HN 0.331 nan 8.240 nan 0.000 0.441 803 I N 3.922 124.481 120.570 -0.019 0.000 2.306 803 I HA 0.330 4.506 4.170 0.010 0.000 0.288 803 I C 0.849 176.965 176.117 -0.001 0.000 1.036 803 I CA -0.568 60.725 61.300 -0.012 0.000 1.221 803 I CB 0.497 38.489 38.000 -0.015 0.000 1.385 803 I HN 0.438 nan 8.210 nan 0.000 0.472 804 R N 3.492 123.994 120.500 0.003 0.000 2.577 804 R HA 0.568 4.914 4.340 0.010 0.000 0.269 804 R C 0.204 176.507 176.300 0.005 0.000 1.084 804 R CA -0.644 55.460 56.100 0.006 0.000 1.163 804 R CB 0.912 31.216 30.300 0.007 0.000 1.100 804 R HN 0.690 nan 8.270 nan 0.000 0.547 805 A N 0.818 123.640 122.820 0.005 0.000 2.520 805 A HA 0.118 4.443 4.320 0.010 0.000 0.245 805 A C 0.887 178.473 177.584 0.003 0.000 1.072 805 A CA 0.376 52.416 52.037 0.004 0.000 0.761 805 A CB 0.115 19.117 19.000 0.003 0.000 1.004 805 A HN 0.872 nan 8.150 nan 0.000 0.499 806 S N 0.505 116.207 115.700 0.004 0.000 2.612 806 S HA 0.213 4.689 4.470 0.010 0.000 0.278 806 S C 0.333 174.935 174.600 0.003 0.000 1.082 806 S CA 0.542 58.744 58.200 0.003 0.000 1.185 806 S CB 0.232 63.435 63.200 0.005 0.000 1.077 806 S HN 0.681 nan 8.310 nan 0.000 0.585 807 T N 2.034 116.590 114.554 0.004 0.000 2.861 807 T HA 0.689 5.045 4.350 0.010 0.000 0.287 807 T C -0.596 174.107 174.700 0.004 0.000 1.003 807 T CA 0.230 62.333 62.100 0.004 0.000 0.977 807 T CB 1.470 70.341 68.868 0.006 0.000 0.996 807 T HN 0.699 nan 8.240 nan 0.000 0.448 808 S N 2.711 118.413 115.700 0.004 0.000 3.829 808 S HA -0.198 4.277 4.470 0.010 0.000 0.461 808 S C 0.626 175.228 174.600 0.002 0.000 0.849 808 S CA 0.675 58.877 58.200 0.003 0.000 1.323 808 S CB -1.819 61.383 63.200 0.004 0.000 0.872 808 S HN 1.405 nan 8.310 nan 0.000 0.613 809 S N 1.457 117.158 115.700 0.002 0.000 3.581 809 S HA -0.225 4.251 4.470 0.010 0.000 0.354 809 S C 0.495 175.095 174.600 0.001 0.000 1.059 809 S CA 1.048 59.249 58.200 0.001 0.000 1.060 809 S CB -1.608 61.592 63.200 0.001 0.000 0.908 809 S HN 1.281 nan 8.310 nan 0.000 0.475 810 N N -1.512 117.188 118.700 0.001 0.000 2.708 810 N HA -0.232 4.514 4.740 0.010 0.000 0.249 810 N C 0.551 176.062 175.510 0.002 0.000 1.097 810 N CA 1.113 54.163 53.050 0.001 0.000 0.710 810 N CB -1.476 37.011 38.487 0.000 0.000 1.032 810 N HN 0.772 nan 8.380 nan 0.000 0.551 811 I N -0.290 120.281 120.570 0.002 0.000 2.439 811 I HA -0.140 4.036 4.170 0.010 0.000 0.251 811 I C 1.196 177.315 176.117 0.002 0.000 1.139 811 I CA 1.003 62.304 61.300 0.002 0.000 1.438 811 I CB 0.262 38.262 38.000 0.001 0.000 1.085 811 I HN 0.268 nan 8.210 nan 0.000 0.427 812 R N -0.047 120.455 120.500 0.003 0.000 2.854 812 R HA 0.531 4.877 4.340 0.010 0.000 0.271 812 R C -0.639 175.663 176.300 0.004 0.000 0.994 812 R CA -0.648 55.455 56.100 0.004 0.000 0.945 812 R CB 1.235 31.538 30.300 0.004 0.000 1.194 812 R HN 0.007 nan 8.270 nan 0.000 0.476 813 S N -0.021 115.682 115.700 0.005 0.000 2.616 813 S HA 0.399 4.875 4.470 0.010 0.000 0.277 813 S C -0.473 174.130 174.600 0.006 0.000 1.234 813 S CA -0.813 57.390 58.200 0.005 0.000 1.028 813 S CB 1.443 64.645 63.200 0.004 0.000 0.988 813 S HN 0.763 nan 8.310 nan 0.000 0.522 814 E N 0.607 120.810 120.200 0.006 0.000 2.291 814 E HA 0.529 4.885 4.350 0.010 0.000 0.276 814 E C -2.065 174.540 176.600 0.008 0.000 0.896 814 E CA -0.742 55.663 56.400 0.008 0.000 0.774 814 E CB 1.783 31.488 29.700 0.009 0.000 1.227 814 E HN 0.523 nan 8.360 nan 0.000 0.413 815 V N 4.787 124.706 119.914 0.010 0.000 2.487 815 V HA 0.452 4.578 4.120 0.010 0.000 0.298 815 V C -0.893 175.210 176.094 0.015 0.000 1.028 815 V CA -0.801 61.506 62.300 0.011 0.000 0.860 815 V CB 1.429 33.257 31.823 0.009 0.000 0.991 815 V HN 0.601 nan 8.190 nan 0.000 0.427 816 L N 5.628 126.861 121.223 0.017 0.000 2.322 816 L HA 0.643 4.989 4.340 0.010 0.000 0.281 816 L C -0.143 176.741 176.870 0.023 0.000 1.014 816 L CA -0.260 54.593 54.840 0.020 0.000 0.815 816 L CB 1.777 43.848 42.059 0.020 0.000 1.247 816 L HN 0.566 nan 8.230 nan 0.000 0.421 817 M N 3.026 122.642 119.600 0.027 0.000 2.205 817 M HA 0.432 4.918 4.480 0.010 0.000 0.344 817 M C 0.006 176.323 176.300 0.029 0.000 1.085 817 M CA -0.432 54.885 55.300 0.028 0.000 1.001 817 M CB 1.827 34.447 32.600 0.035 0.000 1.626 817 M HN 0.558 nan 8.290 nan 0.000 0.442 818 E N 1.070 121.283 120.200 0.022 0.000 2.961 818 E HA 0.793 5.149 4.350 0.010 0.000 0.254 818 E C 0.269 176.874 176.600 0.008 0.000 1.192 818 E CA -0.555 55.858 56.400 0.021 0.000 1.069 818 E CB 0.980 30.694 29.700 0.022 0.000 1.338 818 E HN 0.858 nan 8.360 nan 0.000 0.596 819 G N 0.616 109.422 108.800 0.009 0.000 2.757 819 G HA2 -0.301 3.665 3.960 0.010 0.000 0.638 819 G HA3 -0.301 3.665 3.960 0.010 0.000 0.638 819 G C 0.468 175.389 174.900 0.035 0.000 1.344 819 G CA 0.200 45.297 45.100 -0.004 0.000 0.855 819 G HN 0.663 nan 8.290 nan 0.000 0.537 820 E N -1.015 119.220 120.200 0.059 0.000 2.058 820 E HA -0.055 4.301 4.350 0.010 0.000 0.194 820 E C 0.948 177.690 176.600 0.237 0.000 0.997 820 E CA 2.030 58.520 56.400 0.149 0.000 0.801 820 E CB -0.065 29.767 29.700 0.220 0.000 0.746 820 E HN 0.877 nan 8.360 nan 0.000 0.450 821 Y N -2.742 117.590 120.300 0.054 0.000 2.588 821 Y HA 0.681 5.237 4.550 0.010 0.000 0.343 821 Y C -0.262 175.691 175.900 0.088 0.000 1.065 821 Y CA -0.991 57.149 58.100 0.068 0.000 1.038 821 Y CB 0.977 39.481 38.460 0.073 0.000 1.297 821 Y HN -0.125 nan 8.280 nan 0.000 0.467 822 G N 0.967 109.875 108.800 0.181 0.000 2.432 822 G HA2 0.582 4.548 3.960 0.010 0.000 0.331 822 G HA3 0.582 4.548 3.960 0.010 0.000 0.331 822 G C -2.407 172.660 174.900 0.278 0.000 1.170 822 G CA -0.869 44.296 45.100 0.110 0.000 0.943 822 G HN 0.795 nan 8.290 nan 0.000 0.483 823 F N 1.532 121.511 119.950 0.049 0.000 2.562 823 F HA 0.636 5.169 4.527 0.010 0.000 0.319 823 F C -0.884 174.961 175.800 0.075 0.000 1.154 823 F CA -1.063 56.999 58.000 0.105 0.000 0.931 823 F CB 1.532 40.597 39.000 0.109 0.000 1.198 823 F HN 0.254 nan 8.300 nan 0.000 0.444 824 I N 6.295 126.552 120.570 -0.522 0.000 2.382 824 I HA 0.618 4.794 4.170 0.010 0.000 0.286 824 I C 0.150 175.811 176.117 -0.761 0.000 1.002 824 I CA -0.507 60.536 61.300 -0.428 0.000 1.135 824 I CB 1.291 39.228 38.000 -0.104 0.000 1.288 824 I HN 0.753 nan 8.210 nan 0.000 0.448 825 G N 4.559 112.945 108.800 -0.690 0.000 3.022 825 G HA2 0.662 4.628 3.960 0.010 0.000 0.284 825 G HA3 0.662 4.628 3.960 0.010 0.000 0.284 825 G C -1.604 173.222 174.900 -0.123 0.000 1.375 825 G CA -0.510 44.313 45.100 -0.462 0.000 0.902 825 G HN 0.366 nan 8.290 nan 0.000 0.538 826 K N 0.497 120.887 120.400 -0.018 0.000 2.545 826 K HA 0.528 4.854 4.320 0.010 0.000 0.252 826 K C 0.384 177.003 176.600 0.032 0.000 0.948 826 K CA -0.409 55.867 56.287 -0.019 0.000 0.827 826 K CB 1.197 33.669 32.500 -0.047 0.000 1.128 826 K HN 0.773 nan 8.250 nan 0.000 0.429 827 S N 3.872 119.586 115.700 0.023 0.000 2.580 827 S HA 0.237 4.713 4.470 0.010 0.000 0.266 827 S C 0.592 175.205 174.600 0.021 0.000 1.354 827 S CA -0.550 57.670 58.200 0.033 0.000 1.008 827 S CB 0.085 63.297 63.200 0.020 0.000 0.898 827 S HN 0.556 nan 8.310 nan 0.000 0.555 828 I N 2.573 123.158 120.570 0.026 0.000 2.517 828 I HA 0.203 4.379 4.170 0.010 0.000 0.285 828 I C -2.018 174.104 176.117 0.007 0.000 1.106 828 I CA -1.853 59.457 61.300 0.018 0.000 1.402 828 I CB 0.010 38.023 38.000 0.022 0.000 1.399 828 I HN 0.483 nan 8.210 nan 0.000 0.535 829 P HA 0.060 nan 4.420 nan 0.000 0.268 829 P C 0.598 177.897 177.300 -0.001 0.000 1.204 829 P CA -0.013 63.083 63.100 -0.006 0.000 0.768 829 P CB 0.636 32.329 31.700 -0.012 0.000 0.842 830 T N 0.054 114.607 114.554 -0.003 0.000 2.812 830 T HA -0.094 4.262 4.350 0.010 0.000 0.264 830 T C 0.929 175.628 174.700 -0.001 0.000 1.042 830 T CA 1.476 63.576 62.100 -0.000 0.000 1.140 830 T CB -0.291 68.576 68.868 -0.001 0.000 0.870 830 T HN 0.431 nan 8.240 nan 0.000 0.445 831 D N 0.401 120.799 120.400 -0.003 0.000 2.338 831 D HA 0.080 4.726 4.640 0.010 0.000 0.224 831 D C 0.945 177.244 176.300 -0.002 0.000 0.967 831 D CA 0.565 54.563 54.000 -0.003 0.000 0.896 831 D CB 0.074 40.871 40.800 -0.005 0.000 1.028 831 D HN 0.329 nan 8.370 nan 0.000 0.493 832 N N 0.695 119.392 118.700 -0.004 0.000 2.791 832 N HA 0.101 4.847 4.740 0.010 0.000 0.265 832 N C -2.127 173.382 175.510 -0.000 0.000 1.580 832 N CA -1.377 51.672 53.050 -0.001 0.000 0.809 832 N CB 1.607 40.092 38.487 -0.004 0.000 1.178 832 N HN -0.207 nan 8.380 nan 0.000 0.499 833 P HA -0.113 nan 4.420 nan 0.000 0.219 833 P C 1.084 178.393 177.300 0.015 0.000 1.146 833 P CA 0.817 63.922 63.100 0.008 0.000 0.808 833 P CB 0.212 31.919 31.700 0.012 0.000 0.779 834 A N 0.009 122.840 122.820 0.017 0.000 2.216 834 A HA 0.071 4.396 4.320 0.010 0.000 0.214 834 A C 2.273 179.877 177.584 0.034 0.000 1.160 834 A CA 1.445 53.499 52.037 0.028 0.000 0.725 834 A CB -1.435 17.580 19.000 0.025 0.000 0.784 834 A HN 0.336 nan 8.150 nan 0.000 0.472 835 G N -1.457 107.351 108.800 0.013 0.000 3.088 835 G HA2 0.132 4.098 3.960 0.010 0.000 0.217 835 G HA3 0.132 4.098 3.960 0.010 0.000 0.217 835 G C 0.615 175.491 174.900 -0.040 0.000 1.159 835 G CA 0.070 45.166 45.100 -0.006 0.000 0.760 835 G HN 0.576 nan 8.290 nan 0.000 0.550 836 Q N 1.426 121.214 119.800 -0.020 0.000 2.339 836 Q HA 0.122 4.468 4.340 0.010 0.000 0.308 836 Q C 0.272 176.222 176.000 -0.084 0.000 1.097 836 Q CA 0.437 56.218 55.803 -0.037 0.000 1.007 836 Q CB 0.087 28.825 28.738 0.000 0.000 1.051 836 Q HN 0.614 nan 8.270 nan 0.000 0.381 837 R N 2.897 123.308 120.500 -0.149 0.000 2.765 837 R HA 0.465 4.811 4.340 0.010 0.000 0.277 837 R C -1.721 174.431 176.300 -0.247 0.000 1.028 837 R CA -0.876 55.075 56.100 -0.248 0.000 0.860 837 R CB 0.688 30.676 30.300 -0.519 0.000 1.270 837 R HN 0.473 nan 8.270 nan 0.000 0.484 838 I N 1.923 122.326 120.570 -0.277 0.000 2.465 838 I HA 0.426 4.602 4.170 0.010 0.000 0.291 838 I C -0.386 175.459 176.117 -0.454 0.000 1.014 838 I CA -1.144 59.914 61.300 -0.403 0.000 1.093 838 I CB 2.196 39.881 38.000 -0.526 0.000 1.267 838 I HN 0.428 nan 8.210 nan 0.000 0.431 839 I N 5.987 126.283 120.570 -0.456 0.000 2.321 839 I HA 0.312 4.488 4.170 0.010 0.000 0.291 839 I C -0.885 174.971 176.117 -0.436 0.000 0.998 839 I CA -0.303 60.807 61.300 -0.316 0.000 1.227 839 I CB 0.717 38.601 38.000 -0.193 0.000 1.368 839 I HN 0.288 nan 8.210 nan 0.000 0.466 840 F N 5.595 125.510 119.950 -0.059 0.000 2.420 840 F HA 0.504 5.037 4.527 0.010 0.000 0.342 840 F C 0.205 175.991 175.800 -0.024 0.000 1.113 840 F CA -0.552 57.423 58.000 -0.041 0.000 1.059 840 F CB 1.455 40.434 39.000 -0.034 0.000 1.128 840 F HN 0.376 nan 8.300 nan 0.000 0.475 841 C N 1.994 121.372 119.300 0.130 0.000 2.609 841 C HA 0.675 5.141 4.460 0.010 0.000 0.313 841 C C 1.137 176.164 174.990 0.062 0.000 1.175 841 C CA -0.387 58.676 59.018 0.074 0.000 1.434 841 C CB 0.884 28.640 27.740 0.026 0.000 2.005 841 C HN 1.025 nan 8.230 nan 0.000 0.471 842 G N 2.567 111.396 108.800 0.048 0.000 2.985 842 G HA2 0.465 4.431 3.960 0.010 0.000 0.209 842 G HA3 0.465 4.431 3.960 0.010 0.000 0.209 842 G C 0.544 175.456 174.900 0.020 0.000 1.165 842 G CA 0.734 45.852 45.100 0.031 0.000 0.776 842 G HN 1.186 nan 8.290 nan 0.000 0.541 843 G N -0.415 108.397 108.800 0.019 0.000 3.042 843 G HA2 0.471 4.437 3.960 0.010 0.000 0.278 843 G HA3 0.471 4.437 3.960 0.010 0.000 0.278 843 G C 0.532 175.439 174.900 0.011 0.000 1.371 843 G CA 0.007 45.115 45.100 0.013 0.000 1.009 843 G HN 0.170 nan 8.290 nan 0.000 0.523 844 E N -1.355 118.850 120.200 0.009 0.000 2.427 844 E HA 0.262 4.618 4.350 0.010 0.000 0.196 844 E C 0.922 177.526 176.600 0.008 0.000 1.028 844 E CA 0.418 56.824 56.400 0.010 0.000 0.864 844 E CB 0.288 29.994 29.700 0.010 0.000 0.813 844 E HN 0.529 nan 8.360 nan 0.000 0.514 845 G N 0.183 108.985 108.800 0.004 0.000 2.680 845 G HA2 0.275 4.241 3.960 0.010 0.000 0.290 845 G HA3 0.275 4.241 3.960 0.010 0.000 0.290 845 G C 0.489 175.385 174.900 -0.008 0.000 1.355 845 G CA -0.054 45.046 45.100 -0.001 0.000 0.903 845 G HN 0.030 nan 8.290 nan 0.000 0.474 846 T N -2.237 112.308 114.554 -0.015 0.000 2.962 846 T HA 0.013 4.369 4.350 0.010 0.000 0.270 846 T C 1.556 176.248 174.700 -0.012 0.000 1.088 846 T CA 1.188 63.273 62.100 -0.024 0.000 1.127 846 T CB -0.120 68.728 68.868 -0.033 0.000 0.883 846 T HN 0.625 nan 8.240 nan 0.000 0.493 847 S N 1.866 117.563 115.700 -0.004 0.000 2.516 847 S HA 0.225 4.701 4.470 0.010 0.000 0.282 847 S C 1.645 176.251 174.600 0.010 0.000 1.286 847 S CA -0.023 58.179 58.200 0.004 0.000 1.066 847 S CB 0.542 63.745 63.200 0.004 0.000 0.884 847 S HN 0.601 nan 8.310 nan 0.000 0.491 848 S N 3.797 119.508 115.700 0.018 0.000 2.440 848 S HA -0.121 4.355 4.470 0.010 0.000 0.238 848 S C 1.809 176.421 174.600 0.020 0.000 1.010 848 S CA 1.631 59.847 58.200 0.026 0.000 0.972 848 S CB -0.959 62.265 63.200 0.040 0.000 0.774 848 S HN 0.777 nan 8.310 nan 0.000 0.501 849 T N 2.524 117.088 114.554 0.016 0.000 2.737 849 T HA -0.139 4.217 4.350 0.010 0.000 0.269 849 T C 2.018 176.723 174.700 0.008 0.000 1.040 849 T CA 2.183 64.290 62.100 0.011 0.000 1.142 849 T CB -0.993 67.881 68.868 0.010 0.000 0.861 849 T HN 0.919 nan 8.240 nan 0.000 0.456 850 T N -1.930 112.629 114.554 0.008 0.000 3.055 850 T HA 0.431 4.787 4.350 0.010 0.000 0.265 850 T C 0.842 175.547 174.700 0.008 0.000 1.111 850 T CA 0.632 62.736 62.100 0.007 0.000 1.118 850 T CB 0.147 69.019 68.868 0.006 0.000 0.909 850 T HN 0.514 nan 8.240 nan 0.000 0.501 851 G N -0.110 108.697 108.800 0.011 0.000 2.338 851 G HA2 0.527 4.492 3.960 0.010 0.000 0.295 851 G HA3 0.527 4.492 3.960 0.010 0.000 0.295 851 G C -1.100 173.811 174.900 0.018 0.000 1.461 851 G CA -0.602 44.505 45.100 0.012 0.000 0.817 851 G HN 0.495 nan 8.290 nan 0.000 0.556 852 A N -0.233 122.596 122.820 0.016 0.000 2.462 852 A HA 0.646 4.972 4.320 0.010 0.000 0.243 852 A C 0.336 177.956 177.584 0.060 0.000 1.076 852 A CA 0.413 52.467 52.037 0.027 0.000 0.773 852 A CB 0.303 19.307 19.000 0.006 0.000 1.010 852 A HN 0.677 nan 8.150 nan 0.000 0.493 853 Q N 0.390 120.243 119.800 0.089 0.000 2.389 853 Q HA 0.664 5.009 4.340 0.010 0.000 0.277 853 Q C -1.463 174.623 176.000 0.144 0.000 1.082 853 Q CA -0.474 55.394 55.803 0.108 0.000 0.810 853 Q CB 2.588 31.374 28.738 0.079 0.000 1.374 853 Q HN 0.703 nan 8.270 nan 0.000 0.422 854 I N 1.295 121.959 120.570 0.157 0.000 2.466 854 I HA 0.347 4.523 4.170 0.010 0.000 0.289 854 I C -0.780 175.431 176.117 0.158 0.000 1.026 854 I CA -0.533 60.834 61.300 0.111 0.000 1.078 854 I CB 2.341 40.387 38.000 0.076 0.000 1.249 854 I HN 0.476 nan 8.210 nan 0.000 0.429 855 T N 7.168 121.763 114.554 0.068 0.000 2.770 855 T HA 0.541 4.897 4.350 0.010 0.000 0.283 855 T C -0.219 174.530 174.700 0.081 0.000 0.988 855 T CA -0.437 61.681 62.100 0.031 0.000 0.957 855 T CB 0.911 69.756 68.868 -0.038 0.000 0.930 855 T HN 0.267 nan 8.240 nan 0.000 0.443 856 L N 4.100 125.365 121.223 0.071 0.000 2.272 856 L HA 0.483 4.829 4.340 0.010 0.000 0.289 856 L C -0.668 176.235 176.870 0.055 0.000 1.032 856 L CA -0.985 53.932 54.840 0.128 0.000 0.810 856 L CB 0.596 42.755 42.059 0.165 0.000 1.205 856 L HN 0.642 nan 8.230 nan 0.000 0.422 857 Y N 1.174 121.471 120.300 -0.005 0.000 2.308 857 Y HA 0.428 4.984 4.550 0.010 0.000 0.329 857 Y C 1.183 177.088 175.900 0.008 0.000 1.111 857 Y CA -0.531 57.566 58.100 -0.005 0.000 1.179 857 Y CB 1.610 40.065 38.460 -0.009 0.000 1.201 857 Y HN 0.648 nan 8.280 nan 0.000 0.483 858 G N 0.578 109.449 108.800 0.119 0.000 2.634 858 G HA2 0.314 4.279 3.960 0.010 0.000 0.255 858 G HA3 0.314 4.279 3.960 0.010 0.000 0.255 858 G C 0.775 175.733 174.900 0.097 0.000 1.205 858 G CA -0.103 45.050 45.100 0.089 0.000 0.884 858 G HN 0.872 nan 8.290 nan 0.000 0.549 859 A N 0.249 123.114 122.820 0.074 0.000 2.070 859 A HA -0.069 4.257 4.320 0.010 0.000 0.220 859 A C 2.014 179.629 177.584 0.051 0.000 1.159 859 A CA 1.610 53.682 52.037 0.059 0.000 0.656 859 A CB -0.339 18.690 19.000 0.048 0.000 0.800 859 A HN 0.670 nan 8.150 nan 0.000 0.453 860 N N 0.010 118.741 118.700 0.052 0.000 2.463 860 N HA -0.016 4.730 4.740 0.010 0.000 0.181 860 N C 0.605 176.144 175.510 0.049 0.000 1.078 860 N CA -0.093 52.982 53.050 0.042 0.000 0.902 860 N CB -0.015 38.492 38.487 0.034 0.000 0.970 860 N HN 0.416 nan 8.380 nan 0.000 0.451 861 N N 0.607 119.352 118.700 0.074 0.000 2.479 861 N HA -0.015 4.731 4.740 0.010 0.000 0.257 861 N C 0.658 176.218 175.510 0.083 0.000 1.232 861 N CA 0.459 53.571 53.050 0.104 0.000 0.920 861 N CB 0.817 39.431 38.487 0.211 0.000 1.105 861 N HN 0.009 nan 8.380 nan 0.000 0.444 862 T N 0.946 115.546 114.554 0.076 0.000 2.685 862 T HA -0.159 4.197 4.350 0.010 0.000 0.268 862 T C -0.098 174.620 174.700 0.029 0.000 1.034 862 T CA 1.273 63.402 62.100 0.048 0.000 1.149 862 T CB -0.114 68.781 68.868 0.046 0.000 0.860 862 T HN 0.528 nan 8.240 nan 0.000 0.449 863 D N 2.141 122.563 120.400 0.036 0.000 2.524 863 D HA 0.240 4.886 4.640 0.010 0.000 0.222 863 D C -0.427 175.851 176.300 -0.037 0.000 1.142 863 D CA 0.040 54.000 54.000 -0.066 0.000 0.973 863 D CB 0.678 41.330 40.800 -0.247 0.000 1.025 863 D HN 0.101 nan 8.370 nan 0.000 0.519 864 S N 1.696 117.394 115.700 -0.003 0.000 2.515 864 S HA -0.025 4.451 4.470 0.010 0.000 0.285 864 S C 0.986 175.597 174.600 0.019 0.000 1.265 864 S CA -0.066 58.152 58.200 0.029 0.000 1.079 864 S CB 0.004 63.217 63.200 0.022 0.000 0.877 864 S HN 0.462 nan 8.310 nan 0.000 0.493 865 R N 0.737 121.276 120.500 0.066 0.000 3.770 865 R HA -0.189 4.157 4.340 0.010 0.000 0.305 865 R C 0.256 176.570 176.300 0.023 0.000 1.184 865 R CA 0.885 57.023 56.100 0.064 0.000 0.823 865 R CB -1.712 28.612 30.300 0.040 0.000 1.285 865 R HN 0.757 nan 8.270 nan 0.000 0.499 866 R N 1.530 121.996 120.500 -0.057 0.000 2.643 866 R HA 0.319 4.665 4.340 0.010 0.000 0.270 866 R C -0.150 176.113 176.300 -0.062 0.000 1.061 866 R CA 0.195 56.163 56.100 -0.220 0.000 1.107 866 R CB 0.516 30.396 30.300 -0.699 0.000 0.999 866 R HN 0.198 nan 8.270 nan 0.000 0.460 867 I N 4.191 124.720 120.570 -0.069 0.000 2.436 867 I HA 0.258 4.434 4.170 0.010 0.000 0.289 867 I C -0.858 175.163 176.117 -0.160 0.000 1.010 867 I CA -1.121 60.121 61.300 -0.095 0.000 1.098 867 I CB 2.197 40.058 38.000 -0.233 0.000 1.266 867 I HN 0.321 nan 8.210 nan 0.000 0.434 868 V N 6.755 126.615 119.914 -0.090 0.000 2.384 868 V HA 0.347 4.473 4.120 0.010 0.000 0.287 868 V C -0.877 175.154 176.094 -0.106 0.000 1.020 868 V CA -0.617 61.676 62.300 -0.012 0.000 0.850 868 V CB 1.157 33.057 31.823 0.128 0.000 0.987 868 V HN 0.418 nan 8.190 nan 0.000 0.436 869 Y N 3.287 123.665 120.300 0.130 0.000 2.341 869 Y HA 0.422 4.978 4.550 0.010 0.000 0.340 869 Y C 0.544 176.615 175.900 0.285 0.000 0.997 869 Y CA -0.315 57.893 58.100 0.180 0.000 1.149 869 Y CB 0.891 39.399 38.460 0.079 0.000 1.171 869 Y HN 0.639 nan 8.280 nan 0.000 0.494 870 N N 2.498 121.439 118.700 0.402 0.000 2.576 870 N HA 0.617 5.363 4.740 0.010 0.000 0.269 870 N C -0.827 174.778 175.510 0.158 0.000 1.058 870 N CA -0.276 52.945 53.050 0.285 0.000 0.860 870 N CB 0.728 39.319 38.487 0.173 0.000 1.249 870 N HN 0.911 nan 8.380 nan 0.000 0.525 871 G N 1.042 109.845 108.800 0.005 0.000 2.684 871 G HA2 0.166 4.131 3.960 0.010 0.000 0.290 871 G HA3 0.166 4.131 3.960 0.010 0.000 0.290 871 G C -0.493 174.269 174.900 -0.228 0.000 1.425 871 G CA -0.387 44.601 45.100 -0.187 0.000 0.822 871 G HN 0.426 nan 8.290 nan 0.000 0.482 872 D N -0.278 120.027 120.400 -0.159 0.000 2.350 872 D HA 0.159 4.805 4.640 0.010 0.000 0.213 872 D C 0.317 176.542 176.300 -0.124 0.000 1.031 872 D CA 0.860 54.799 54.000 -0.101 0.000 0.861 872 D CB 0.790 41.560 40.800 -0.051 0.000 0.926 872 D HN 0.485 nan 8.370 nan 0.000 0.520 873 E N -0.308 119.762 120.200 -0.217 0.000 2.321 873 E HA 0.237 4.593 4.350 0.010 0.000 0.278 873 E C -0.927 175.492 176.600 -0.302 0.000 0.902 873 E CA -0.617 55.680 56.400 -0.171 0.000 0.758 873 E CB 2.110 31.752 29.700 -0.097 0.000 1.213 873 E HN 0.033 nan 8.360 nan 0.000 0.426 874 H N 2.877 121.950 119.070 0.005 0.000 2.792 874 H HA 0.361 4.923 4.556 0.010 0.000 0.298 874 H C -0.904 174.383 175.328 -0.068 0.000 1.042 874 H CA -0.382 55.642 56.048 -0.040 0.000 1.300 874 H CB 0.632 30.438 29.762 0.074 0.000 1.431 874 H HN 0.296 nan 8.280 nan 0.000 0.496 875 L N 4.011 125.168 121.223 -0.111 0.000 2.319 875 L HA 0.357 4.703 4.340 0.010 0.000 0.281 875 L C -0.546 176.181 176.870 -0.239 0.000 1.005 875 L CA -0.699 54.093 54.840 -0.079 0.000 0.828 875 L CB 1.226 43.252 42.059 -0.056 0.000 1.227 875 L HN 0.316 nan 8.230 nan 0.000 0.415 876 F N 2.249 122.200 119.950 0.002 0.000 2.350 876 F HA 0.347 4.880 4.527 0.010 0.000 0.365 876 F C 0.611 176.405 175.800 -0.010 0.000 1.122 876 F CA -0.093 57.902 58.000 -0.010 0.000 1.139 876 F CB 1.109 40.092 39.000 -0.029 0.000 1.220 876 F HN 0.496 nan 8.300 nan 0.000 0.499 877 Q N 1.463 121.307 119.800 0.074 0.000 2.222 877 Q HA 0.374 4.720 4.340 0.010 0.000 0.252 877 Q C 0.604 176.640 176.000 0.060 0.000 0.926 877 Q CA -0.064 55.768 55.803 0.048 0.000 0.899 877 Q CB 1.376 30.117 28.738 0.005 0.000 1.250 877 Q HN 0.840 nan 8.270 nan 0.000 0.441 878 S N -0.618 115.108 115.700 0.044 0.000 2.691 878 S HA -0.240 4.236 4.470 0.010 0.000 0.262 878 S C -0.525 174.097 174.600 0.036 0.000 1.284 878 S CA 0.978 59.198 58.200 0.034 0.000 1.372 878 S CB -1.335 61.882 63.200 0.028 0.000 1.693 878 S HN 0.947 nan 8.310 nan 0.000 0.647 879 A N 0.305 123.155 122.820 0.051 0.000 2.612 879 A HA 0.600 4.926 4.320 0.010 0.000 0.293 879 A C -1.425 176.176 177.584 0.029 0.000 1.075 879 A CA -0.722 51.337 52.037 0.036 0.000 0.680 879 A CB 0.815 19.838 19.000 0.038 0.000 1.279 879 A HN 0.076 nan 8.150 nan 0.000 0.411 880 D N 0.432 120.831 120.400 -0.003 0.000 2.419 880 D HA 0.281 4.927 4.640 0.010 0.000 0.236 880 D C -0.028 176.229 176.300 -0.070 0.000 1.165 880 D CA 0.364 54.344 54.000 -0.034 0.000 0.882 880 D CB 0.914 41.689 40.800 -0.042 0.000 1.201 880 D HN 0.181 nan 8.370 nan 0.000 0.443 881 V N 3.048 122.876 119.914 -0.144 0.000 2.353 881 V HA 0.144 4.269 4.120 0.010 0.000 0.264 881 V C 0.582 176.563 176.094 -0.187 0.000 1.049 881 V CA -0.032 62.106 62.300 -0.269 0.000 0.896 881 V CB 0.195 31.733 31.823 -0.474 0.000 1.025 881 V HN 0.277 nan 8.190 nan 0.000 0.475 882 K N 5.387 125.705 120.400 -0.137 0.000 2.385 882 K HA 0.642 4.968 4.320 0.010 0.000 0.248 882 K C -2.412 174.157 176.600 -0.052 0.000 0.955 882 K CA -1.611 54.625 56.287 -0.085 0.000 0.816 882 K CB 2.272 34.733 32.500 -0.065 0.000 1.250 882 K HN 0.464 nan 8.250 nan 0.000 0.434 883 P HA 0.060 nan 4.420 nan 0.000 0.277 883 P C 0.023 177.355 177.300 0.053 0.000 1.240 883 P CA -0.285 62.830 63.100 0.024 0.000 0.798 883 P CB 0.590 32.301 31.700 0.019 0.000 0.979 884 Y N 2.438 122.731 120.300 -0.012 0.000 2.181 884 Y HA -0.164 4.392 4.550 0.010 0.000 0.288 884 Y C 0.661 176.558 175.900 -0.005 0.000 1.146 884 Y CA 1.507 59.604 58.100 -0.005 0.000 1.164 884 Y CB 0.038 38.500 38.460 0.004 0.000 0.982 884 Y HN 0.444 nan 8.280 nan 0.000 0.515 885 N N -0.237 118.567 118.700 0.174 0.000 2.483 885 N HA 0.165 4.910 4.740 0.010 0.000 0.285 885 N C -1.722 173.806 175.510 0.030 0.000 1.210 885 N CA -0.684 52.423 53.050 0.096 0.000 0.931 885 N CB 0.903 39.479 38.487 0.149 0.000 1.220 885 N HN -0.019 nan 8.380 nan 0.000 0.542 886 D N 0.334 120.741 120.400 0.012 0.000 2.317 886 D HA 0.221 4.867 4.640 0.010 0.000 0.234 886 D C -0.606 175.698 176.300 0.007 0.000 1.112 886 D CA 0.001 54.000 54.000 -0.002 0.000 0.840 886 D CB 0.094 40.886 40.800 -0.013 0.000 1.078 886 D HN 0.477 nan 8.370 nan 0.000 0.486 887 N N 3.034 121.737 118.700 0.005 0.000 2.758 887 N HA -0.168 4.578 4.740 0.010 0.000 0.248 887 N C -0.315 175.202 175.510 0.013 0.000 1.076 887 N CA 0.950 54.004 53.050 0.006 0.000 0.696 887 N CB -0.997 37.492 38.487 0.002 0.000 0.979 887 N HN 0.251 nan 8.380 nan 0.000 0.550 888 V N -2.082 117.844 119.914 0.020 0.000 3.137 888 V HA 0.220 4.346 4.120 0.010 0.000 0.236 888 V C 1.099 177.207 176.094 0.024 0.000 1.260 888 V CA 1.355 63.670 62.300 0.025 0.000 1.244 888 V CB 0.720 32.566 31.823 0.038 0.000 1.016 888 V HN 0.596 nan 8.190 nan 0.000 0.477 889 T N -0.886 113.685 114.554 0.027 0.000 2.932 889 T HA 0.868 5.224 4.350 0.010 0.000 0.289 889 T C -0.424 174.289 174.700 0.023 0.000 1.039 889 T CA -0.109 62.007 62.100 0.026 0.000 1.024 889 T CB 2.470 71.358 68.868 0.034 0.000 1.090 889 T HN 0.395 nan 8.240 nan 0.000 0.496 890 A N 1.249 124.084 122.820 0.027 0.000 2.346 890 A HA 0.812 5.138 4.320 0.010 0.000 0.313 890 A C -0.646 176.972 177.584 0.056 0.000 1.140 890 A CA -1.134 50.922 52.037 0.033 0.000 0.826 890 A CB 0.884 19.902 19.000 0.031 0.000 1.332 890 A HN 0.884 nan 8.150 nan 0.000 0.457 891 L N 1.750 123.022 121.223 0.081 0.000 2.264 891 L HA 0.552 4.898 4.340 0.010 0.000 0.289 891 L C 1.062 178.069 176.870 0.228 0.000 1.044 891 L CA 0.740 55.688 54.840 0.180 0.000 0.807 891 L CB 0.578 42.713 42.059 0.127 0.000 1.192 891 L HN 1.341 nan 8.230 nan 0.000 0.425 892 G N 2.769 111.695 108.800 0.210 0.000 2.697 892 G HA2 0.114 4.080 3.960 0.010 0.000 0.240 892 G HA3 0.114 4.080 3.960 0.010 0.000 0.240 892 G C -0.178 174.710 174.900 -0.021 0.000 1.346 892 G CA -0.419 44.666 45.100 -0.024 0.000 0.887 892 G HN 1.105 nan 8.290 nan 0.000 0.569 893 G N -2.409 106.357 108.800 -0.056 0.000 2.608 893 G HA2 0.805 4.771 3.960 0.010 0.000 0.291 893 G HA3 0.805 4.771 3.960 0.010 0.000 0.291 893 G C -1.567 173.310 174.900 -0.038 0.000 1.425 893 G CA 0.492 45.571 45.100 -0.035 0.000 0.787 893 G HN 0.723 nan 8.290 nan 0.000 0.484 894 P HA -0.053 nan 4.420 nan 0.000 0.217 894 P C 1.414 178.696 177.300 -0.030 0.000 1.148 894 P CA 1.372 64.459 63.100 -0.021 0.000 0.828 894 P CB 0.333 32.024 31.700 -0.015 0.000 0.783 895 S N -1.274 114.403 115.700 -0.039 0.000 2.535 895 S HA 0.105 4.581 4.470 0.010 0.000 0.214 895 S C 0.432 174.993 174.600 -0.064 0.000 0.980 895 S CA -0.048 58.126 58.200 -0.042 0.000 0.907 895 S CB -0.381 62.797 63.200 -0.036 0.000 0.790 895 S HN 0.222 nan 8.310 nan 0.000 0.510 896 N N 1.600 120.245 118.700 -0.091 0.000 2.733 896 N HA 0.260 5.005 4.740 0.010 0.000 0.271 896 N C -0.977 174.402 175.510 -0.219 0.000 1.720 896 N CA -0.302 52.655 53.050 -0.155 0.000 0.803 896 N CB 0.842 39.228 38.487 -0.169 0.000 1.208 896 N HN 0.050 nan 8.380 nan 0.000 0.498 897 R N 0.344 120.754 120.500 -0.151 0.000 2.441 897 R HA 0.369 4.715 4.340 0.010 0.000 0.284 897 R C -0.399 175.809 176.300 -0.152 0.000 1.070 897 R CA -0.332 55.700 56.100 -0.112 0.000 1.047 897 R CB 0.883 31.168 30.300 -0.025 0.000 1.016 897 R HN 0.210 nan 8.270 nan 0.000 0.477 898 F N 0.368 120.324 119.950 0.010 0.000 2.418 898 F HA 0.014 4.547 4.527 0.010 0.000 0.341 898 F C 2.092 177.903 175.800 0.018 0.000 1.120 898 F CA 0.050 58.062 58.000 0.021 0.000 1.232 898 F CB 1.255 40.266 39.000 0.018 0.000 1.175 898 F HN 0.661 nan 8.300 nan 0.000 0.569 899 T N -2.159 112.538 114.554 0.238 0.000 2.777 899 T HA -0.036 4.320 4.350 0.010 0.000 0.266 899 T C 0.729 175.480 174.700 0.085 0.000 1.040 899 T CA 1.451 63.629 62.100 0.131 0.000 1.141 899 T CB -0.101 68.845 68.868 0.130 0.000 0.868 899 T HN 0.658 nan 8.240 nan 0.000 0.444 900 T N -0.558 114.046 114.554 0.083 0.000 2.661 900 T HA 0.579 4.935 4.350 0.010 0.000 0.305 900 T C -2.305 172.362 174.700 -0.055 0.000 1.441 900 T CA -0.298 61.779 62.100 -0.040 0.000 0.999 900 T CB 1.121 69.874 68.868 -0.190 0.000 1.650 900 T HN 0.647 nan 8.240 nan 0.000 0.489 901 A N 1.395 124.125 122.820 -0.150 0.000 2.343 901 A HA 0.735 5.061 4.320 0.010 0.000 0.308 901 A C -1.794 175.681 177.584 -0.182 0.000 1.092 901 A CA -0.459 51.510 52.037 -0.114 0.000 0.751 901 A CB 0.631 19.571 19.000 -0.100 0.000 1.203 901 A HN 0.693 nan 8.150 nan 0.000 0.452 902 Y N 2.604 122.875 120.300 -0.049 0.000 2.425 902 Y HA 0.521 5.077 4.550 0.010 0.000 0.347 902 Y C 0.096 175.974 175.900 -0.038 0.000 0.976 902 Y CA 0.126 58.207 58.100 -0.032 0.000 1.190 902 Y CB 0.750 39.196 38.460 -0.023 0.000 1.136 902 Y HN 0.498 nan 8.280 nan 0.000 0.517 903 L N 1.268 122.529 121.223 0.063 0.000 2.354 903 L HA 0.551 4.897 4.340 0.010 0.000 0.264 903 L C 1.189 178.077 176.870 0.030 0.000 1.008 903 L CA -0.840 54.017 54.840 0.028 0.000 0.819 903 L CB 2.139 44.191 42.059 -0.011 0.000 1.339 903 L HN 0.723 nan 8.230 nan 0.000 0.420 904 G N 0.164 108.976 108.800 0.020 0.000 2.712 904 G HA2 0.100 4.066 3.960 0.010 0.000 0.212 904 G HA3 0.100 4.066 3.960 0.010 0.000 0.212 904 G C 0.381 175.284 174.900 0.005 0.000 1.142 904 G CA 0.774 45.883 45.100 0.015 0.000 0.789 904 G HN 0.617 nan 8.290 nan 0.000 0.535 905 S N -1.020 114.679 115.700 -0.002 0.000 2.615 905 S HA 0.395 4.871 4.470 0.010 0.000 0.269 905 S C -1.036 173.556 174.600 -0.014 0.000 1.161 905 S CA -1.067 57.129 58.200 -0.007 0.000 0.817 905 S CB 1.220 64.416 63.200 -0.007 0.000 1.131 905 S HN -0.010 nan 8.310 nan 0.000 0.467 906 N N 1.809 120.500 118.700 -0.015 0.000 2.374 906 N HA 0.302 5.048 4.740 0.010 0.000 0.241 906 N C -2.535 172.963 175.510 -0.020 0.000 1.262 906 N CA -0.541 52.497 53.050 -0.019 0.000 0.880 906 N CB -0.621 37.856 38.487 -0.017 0.000 1.105 906 N HN 0.497 nan 8.380 nan 0.000 0.438 907 P HA 0.096 nan 4.420 nan 0.000 0.265 907 P C -0.186 177.103 177.300 -0.019 0.000 1.187 907 P CA 0.263 63.349 63.100 -0.023 0.000 0.766 907 P CB 0.429 32.114 31.700 -0.024 0.000 0.820 908 I N 2.940 123.498 120.570 -0.019 0.000 2.281 908 I HA 0.171 4.347 4.170 0.010 0.000 0.293 908 I C 0.402 176.510 176.117 -0.016 0.000 1.085 908 I CA -0.570 60.720 61.300 -0.017 0.000 1.257 908 I CB 0.654 38.644 38.000 -0.017 0.000 1.430 908 I HN 0.093 nan 8.210 nan 0.000 0.489 909 V N 5.130 125.036 119.914 -0.013 0.000 2.483 909 V HA 0.763 4.889 4.120 0.010 0.000 0.295 909 V C -0.401 175.687 176.094 -0.010 0.000 1.035 909 V CA 0.324 62.617 62.300 -0.012 0.000 0.896 909 V CB 1.924 33.741 31.823 -0.011 0.000 0.986 909 V HN 0.767 nan 8.190 nan 0.000 0.447 910 T N 0.000 114.548 114.554 -0.009 0.000 3.816 910 T HA 0.000 4.356 4.350 0.010 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 -0.010 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658