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_D 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 58.242 58.200 0.070 0.000 1.107 245 S CB 0.000 63.239 63.200 0.066 0.000 0.593 246 A N 2.603 125.506 122.820 0.139 0.000 2.450 246 A HA 0.454 4.781 4.320 0.012 0.000 0.255 246 A C 0.984 178.679 177.584 0.186 0.000 1.096 246 A CA 0.023 52.185 52.037 0.210 0.000 0.778 246 A CB 0.196 19.391 19.000 0.325 0.000 1.031 246 A HN 0.683 nan 8.150 nan 0.000 0.494 247 K N 2.347 122.818 120.400 0.118 0.000 2.167 247 K HA 0.029 4.356 4.320 0.012 0.000 0.203 247 K C 1.316 177.863 176.600 -0.088 0.000 1.052 247 K CA 0.933 57.236 56.287 0.028 0.000 0.956 247 K CB -0.477 32.027 32.500 0.006 0.000 0.735 247 K HN 1.585 nan 8.250 nan 0.000 0.451 248 G N 3.941 112.583 108.800 -0.263 0.000 2.366 248 G HA2 -0.240 3.727 3.960 0.012 0.000 0.299 248 G HA3 -0.240 3.727 3.960 0.012 0.000 0.299 248 G C -0.079 174.552 174.900 -0.447 0.000 1.020 248 G CA 0.924 45.502 45.100 -0.870 0.000 1.026 248 G HN 0.478 nan 8.290 nan 0.000 0.512 249 D N -1.813 118.442 120.400 -0.241 0.000 2.431 249 D HA 0.377 5.024 4.640 0.012 0.000 0.213 249 D C 1.747 177.993 176.300 -0.090 0.000 1.130 249 D CA 0.355 54.276 54.000 -0.132 0.000 0.834 249 D CB -0.318 40.439 40.800 -0.073 0.000 0.985 249 D HN 1.387 nan 8.370 nan 0.000 0.504 250 G N 0.226 108.963 108.800 -0.104 0.000 2.189 250 G HA2 -0.334 3.633 3.960 0.012 0.000 0.267 250 G HA3 -0.334 3.633 3.960 0.012 0.000 0.267 250 G C 0.959 175.860 174.900 0.001 0.000 0.975 250 G CA 1.384 46.467 45.100 -0.028 0.000 0.644 250 G HN 1.000 nan 8.290 nan 0.000 0.537 251 V N -4.478 115.431 119.914 -0.008 0.000 3.165 251 V HA 0.427 4.554 4.120 0.012 0.000 0.231 251 V C 1.144 177.244 176.094 0.010 0.000 1.365 251 V CA 1.219 63.521 62.300 0.004 0.000 1.286 251 V CB 0.004 31.828 31.823 0.002 0.000 1.081 251 V HN 0.290 nan 8.190 nan 0.000 0.477 252 T N 3.198 117.756 114.554 0.008 0.000 2.870 252 T HA 0.217 4.574 4.350 0.012 0.000 0.300 252 T C -0.335 174.388 174.700 0.038 0.000 0.989 252 T CA 0.588 62.699 62.100 0.019 0.000 1.139 252 T CB 0.604 69.482 68.868 0.016 0.000 0.920 252 T HN 0.547 nan 8.240 nan 0.000 0.537 253 D N 2.170 122.594 120.400 0.040 0.000 2.363 253 D HA 0.029 4.676 4.640 0.012 0.000 0.263 253 D C 0.294 176.634 176.300 0.067 0.000 1.258 253 D CA -0.151 53.880 54.000 0.052 0.000 0.907 253 D CB 0.504 41.327 40.800 0.038 0.000 1.107 253 D HN 0.345 nan 8.370 nan 0.000 0.495 254 D N 2.340 122.800 120.400 0.099 0.000 2.369 254 D HA 0.005 4.652 4.640 0.012 0.000 0.211 254 D C 1.469 177.829 176.300 0.099 0.000 1.077 254 D CA 0.174 54.252 54.000 0.130 0.000 0.842 254 D CB 0.486 41.431 40.800 0.242 0.000 0.947 254 D HN 0.395 nan 8.370 nan 0.000 0.509 255 T N 0.711 115.301 114.554 0.060 0.000 2.597 255 T HA -0.236 4.121 4.350 0.012 0.000 0.267 255 T C 2.063 176.776 174.700 0.022 0.000 1.053 255 T CA 1.902 64.014 62.100 0.020 0.000 1.165 255 T CB -0.184 68.681 68.868 -0.004 0.000 0.863 255 T HN 0.235 nan 8.240 nan 0.000 0.427 256 A N 1.392 124.228 122.820 0.026 0.000 1.902 256 A HA 0.150 4.477 4.320 0.012 0.000 0.217 256 A C 2.669 180.274 177.584 0.035 0.000 1.181 256 A CA 1.950 54.001 52.037 0.022 0.000 0.623 256 A CB -1.154 17.858 19.000 0.020 0.000 0.818 256 A HN 0.543 nan 8.150 nan 0.000 0.443 257 A N -0.835 122.017 122.820 0.053 0.000 1.933 257 A HA -0.008 4.319 4.320 0.012 0.000 0.218 257 A C 2.003 179.631 177.584 0.073 0.000 1.175 257 A CA 1.709 53.785 52.037 0.065 0.000 0.628 257 A CB -0.448 18.605 19.000 0.088 0.000 0.814 257 A HN 0.392 nan 8.150 nan 0.000 0.444 258 L N -0.463 120.811 121.223 0.085 0.000 2.072 258 L HA -0.066 4.281 4.340 0.012 0.000 0.205 258 L C 2.671 179.592 176.870 0.086 0.000 1.079 258 L CA 2.265 57.173 54.840 0.115 0.000 0.752 258 L CB -1.487 40.647 42.059 0.125 0.000 0.906 258 L HN 0.353 nan 8.230 nan 0.000 0.436 259 T N -1.489 113.090 114.554 0.042 0.000 2.684 259 T HA -0.218 4.139 4.350 0.012 0.000 0.267 259 T C 2.202 176.909 174.700 0.011 0.000 1.036 259 T CA 1.813 63.921 62.100 0.014 0.000 1.148 259 T CB -0.239 68.627 68.868 -0.004 0.000 0.863 259 T HN 0.277 nan 8.240 nan 0.000 0.436 260 S N 0.444 116.155 115.700 0.018 0.000 2.356 260 S HA -0.052 4.425 4.470 0.012 0.000 0.223 260 S C 2.413 177.017 174.600 0.007 0.000 1.032 260 S CA 1.254 59.460 58.200 0.011 0.000 1.005 260 S CB -0.545 62.665 63.200 0.017 0.000 0.867 260 S HN 0.532 nan 8.310 nan 0.000 0.449 261 A N 1.267 124.098 122.820 0.018 0.000 1.883 261 A HA -0.038 4.289 4.320 0.012 0.000 0.217 261 A C 2.174 179.737 177.584 -0.035 0.000 1.186 261 A CA 1.579 53.617 52.037 0.002 0.000 0.624 261 A CB -0.886 18.128 19.000 0.023 0.000 0.822 261 A HN 0.555 nan 8.150 nan 0.000 0.444 262 L N -0.761 120.441 121.223 -0.034 0.000 2.093 262 L HA -0.183 4.164 4.340 0.012 0.000 0.208 262 L C 2.035 178.869 176.870 -0.060 0.000 1.085 262 L CA 1.522 56.317 54.840 -0.076 0.000 0.755 262 L CB -0.453 41.577 42.059 -0.049 0.000 0.904 262 L HN 0.407 nan 8.230 nan 0.000 0.435 263 N N -0.790 117.889 118.700 -0.036 0.000 2.446 263 N HA -0.114 4.633 4.740 0.012 0.000 0.179 263 N C 0.956 176.447 175.510 -0.031 0.000 1.054 263 N CA 0.622 53.653 53.050 -0.033 0.000 0.905 263 N CB 0.080 38.552 38.487 -0.024 0.000 0.973 263 N HN 0.196 nan 8.380 nan 0.000 0.448 264 D N -0.753 119.629 120.400 -0.030 0.000 2.354 264 D HA 0.009 4.656 4.640 0.012 0.000 0.209 264 D C 0.242 176.521 176.300 -0.035 0.000 1.015 264 D CA 0.586 54.570 54.000 -0.027 0.000 0.867 264 D CB 0.057 40.846 40.800 -0.018 0.000 0.933 264 D HN 0.266 nan 8.370 nan 0.000 0.520 265 T N -1.119 113.404 114.554 -0.052 0.000 2.859 265 T HA 0.587 4.944 4.350 0.012 0.000 0.281 265 T C -2.756 171.905 174.700 -0.065 0.000 1.005 265 T CA -2.105 59.958 62.100 -0.062 0.000 1.025 265 T CB 2.082 70.897 68.868 -0.089 0.000 0.977 265 T HN -0.316 nan 8.240 nan 0.000 0.458 266 P HA 0.088 nan 4.420 nan 0.000 0.266 266 P C 1.484 178.744 177.300 -0.065 0.000 1.195 266 P CA -0.549 62.520 63.100 -0.051 0.000 0.768 266 P CB 0.425 32.100 31.700 -0.042 0.000 0.838 267 V N 0.647 120.526 119.914 -0.058 0.000 2.867 267 V HA -0.072 4.056 4.120 0.012 0.000 0.260 267 V C 1.759 177.814 176.094 -0.064 0.000 1.099 267 V CA 2.046 64.307 62.300 -0.065 0.000 1.122 267 V CB -1.641 30.151 31.823 -0.051 0.000 0.708 267 V HN 0.649 nan 8.190 nan 0.000 0.490 268 G N -0.412 108.357 108.800 -0.053 0.000 2.744 268 G HA2 0.012 3.979 3.960 0.012 0.000 0.211 268 G HA3 0.012 3.979 3.960 0.012 0.000 0.211 268 G C 0.766 175.636 174.900 -0.050 0.000 1.146 268 G CA 0.247 45.321 45.100 -0.044 0.000 0.787 268 G HN 0.595 nan 8.290 nan 0.000 0.534 269 Q N 1.635 121.397 119.800 -0.064 0.000 2.300 269 Q HA 0.166 4.513 4.340 0.012 0.000 0.280 269 Q C -0.101 175.844 176.000 -0.092 0.000 1.033 269 Q CA 0.240 56.001 55.803 -0.069 0.000 0.903 269 Q CB 0.425 29.117 28.738 -0.077 0.000 1.195 269 Q HN 0.106 nan 8.270 nan 0.000 0.386 270 K N 5.481 125.842 120.400 -0.065 0.000 2.284 270 K HA 0.247 4.574 4.320 0.012 0.000 0.287 270 K C -0.429 176.125 176.600 -0.076 0.000 1.081 270 K CA -0.267 55.983 56.287 -0.062 0.000 0.910 270 K CB 0.448 32.942 32.500 -0.011 0.000 1.088 270 K HN 0.655 nan 8.250 nan 0.000 0.478 271 I N 3.032 123.504 120.570 -0.163 0.000 2.379 271 I HA -0.016 4.161 4.170 0.012 0.000 0.290 271 I C 0.552 176.676 176.117 0.010 0.000 1.063 271 I CA -0.403 60.799 61.300 -0.164 0.000 1.351 271 I CB 0.172 37.894 38.000 -0.464 0.000 1.410 271 I HN 0.434 nan 8.210 nan 0.000 0.505 272 N N 5.395 124.123 118.700 0.047 0.000 2.408 272 N HA 0.172 4.919 4.740 0.012 0.000 0.257 272 N C 0.797 176.391 175.510 0.140 0.000 1.064 272 N CA -0.123 52.987 53.050 0.101 0.000 0.952 272 N CB 1.765 40.297 38.487 0.074 0.000 1.093 272 N HN 0.738 nan 8.380 nan 0.000 0.490 273 G N 2.264 111.174 108.800 0.184 0.000 2.985 273 G HA2 -0.091 3.876 3.960 0.012 0.000 0.209 273 G HA3 -0.091 3.876 3.960 0.012 0.000 0.209 273 G C 0.338 175.412 174.900 0.290 0.000 1.165 273 G CA -0.322 44.914 45.100 0.227 0.000 0.776 273 G HN 0.804 nan 8.290 nan 0.000 0.541 274 N N -0.433 118.386 118.700 0.198 0.000 2.725 274 N HA -0.214 4.533 4.740 0.012 0.000 0.249 274 N C 1.488 177.091 175.510 0.155 0.000 1.103 274 N CA 1.457 54.597 53.050 0.150 0.000 0.707 274 N CB -1.436 37.128 38.487 0.128 0.000 1.043 274 N HN 1.006 nan 8.380 nan 0.000 0.553 275 G N -1.093 107.842 108.800 0.224 0.000 2.155 275 G HA2 -0.385 3.582 3.960 0.012 0.000 0.257 275 G HA3 -0.385 3.582 3.960 0.012 0.000 0.257 275 G C 0.197 175.307 174.900 0.351 0.000 0.983 275 G CA 1.198 46.470 45.100 0.286 0.000 0.676 275 G HN 0.580 nan 8.290 nan 0.000 0.528 276 K N 0.001 120.535 120.400 0.223 0.000 2.090 276 K HA 0.584 4.911 4.320 0.012 0.000 0.250 276 K C 0.077 176.614 176.600 -0.106 0.000 1.004 276 K CA -0.176 56.110 56.287 -0.001 0.000 0.919 276 K CB 0.813 33.178 32.500 -0.225 0.000 1.045 276 K HN 0.066 nan 8.250 nan 0.000 0.471 277 T N 1.568 115.962 114.554 -0.267 0.000 2.794 277 T HA 0.353 4.710 4.350 0.012 0.000 0.280 277 T C -1.189 173.285 174.700 -0.376 0.000 0.987 277 T CA -0.492 61.479 62.100 -0.216 0.000 0.993 277 T CB 0.212 69.051 68.868 -0.047 0.000 0.939 277 T HN 0.268 nan 8.240 nan 0.000 0.449 278 Y N 2.056 122.277 120.300 -0.132 0.000 2.328 278 Y HA 0.396 4.953 4.550 0.012 0.000 0.333 278 Y C 0.538 176.476 175.900 0.062 0.000 0.958 278 Y CA -1.088 56.991 58.100 -0.035 0.000 1.167 278 Y CB 1.243 39.666 38.460 -0.062 0.000 1.151 278 Y HN 0.276 nan 8.280 nan 0.000 0.470 279 K N 4.216 124.705 120.400 0.149 0.000 2.322 279 K HA 0.488 4.815 4.320 0.012 0.000 0.283 279 K C -0.868 175.815 176.600 0.138 0.000 1.042 279 K CA -0.041 56.317 56.287 0.120 0.000 0.958 279 K CB 0.612 33.149 32.500 0.061 0.000 0.984 279 K HN 0.643 nan 8.250 nan 0.000 0.473 280 V N 0.281 120.269 119.914 0.124 0.000 3.078 280 V HA 0.426 4.553 4.120 0.012 0.000 0.311 280 V C 0.599 176.756 176.094 0.105 0.000 1.138 280 V CA -0.488 61.848 62.300 0.060 0.000 1.007 280 V CB 1.506 33.286 31.823 -0.073 0.000 1.045 280 V HN 0.791 nan 8.190 nan 0.000 0.432 281 T N -1.813 112.775 114.554 0.057 0.000 3.060 281 T HA 0.370 4.727 4.350 0.012 0.000 0.249 281 T C 0.651 175.407 174.700 0.095 0.000 1.079 281 T CA 0.498 62.674 62.100 0.126 0.000 1.013 281 T CB 0.016 68.921 68.868 0.062 0.000 0.975 281 T HN 0.821 nan 8.240 nan 0.000 0.518 282 S N 0.062 115.647 115.700 -0.191 0.000 2.537 282 S HA 0.576 5.053 4.470 0.012 0.000 0.270 282 S C -1.020 173.147 174.600 -0.722 0.000 1.142 282 S CA -0.860 57.051 58.200 -0.482 0.000 0.870 282 S CB 1.356 64.404 63.200 -0.254 0.000 1.112 282 S HN 0.366 nan 8.310 nan 0.000 0.466 283 L N 4.651 125.270 121.223 -1.006 0.000 2.410 283 L HA 0.326 4.673 4.340 0.012 0.000 0.273 283 L C -1.461 175.031 176.870 -0.629 0.000 1.144 283 L CA -1.103 53.190 54.840 -0.910 0.000 0.863 283 L CB 0.170 41.663 42.059 -0.943 0.000 1.140 283 L HN 0.493 nan 8.230 nan 0.000 0.463 284 P HA 0.062 nan 4.420 nan 0.000 0.312 284 P C -0.815 176.313 177.300 -0.286 0.000 1.308 284 P CA -0.550 62.319 63.100 -0.384 0.000 0.743 284 P CB 0.484 31.999 31.700 -0.308 0.000 1.364 285 D N -0.217 120.138 120.400 -0.075 0.000 2.441 285 D HA 0.061 4.708 4.640 0.012 0.000 0.243 285 D C 1.307 177.689 176.300 0.137 0.000 1.257 285 D CA 0.039 54.033 54.000 -0.010 0.000 1.027 285 D CB -0.842 39.957 40.800 -0.003 0.000 1.084 285 D HN 0.161 nan 8.370 nan 0.000 0.514 286 I N 1.567 122.152 120.570 0.024 0.000 2.264 286 I HA -0.332 3.845 4.170 0.012 0.000 0.248 286 I C 2.366 178.653 176.117 0.283 0.000 1.111 286 I CA 1.147 62.541 61.300 0.156 0.000 1.382 286 I CB -0.215 37.803 38.000 0.030 0.000 1.060 286 I HN 0.356 nan 8.210 nan 0.000 0.418 287 S N 0.882 116.666 115.700 0.139 0.000 2.440 287 S HA -0.165 4.312 4.470 0.012 0.000 0.238 287 S C 1.909 176.557 174.600 0.081 0.000 1.010 287 S CA 0.828 59.086 58.200 0.096 0.000 0.972 287 S CB -0.427 62.791 63.200 0.031 0.000 0.774 287 S HN 0.469 nan 8.310 nan 0.000 0.501 288 R N -0.429 120.112 120.500 0.068 0.000 2.310 288 R HA 0.339 4.686 4.340 0.012 0.000 0.202 288 R C -0.749 175.408 176.300 -0.239 0.000 0.933 288 R CA 0.019 56.045 56.100 -0.123 0.000 1.054 288 R CB 0.044 30.192 30.300 -0.252 0.000 0.985 288 R HN 0.401 nan 8.270 nan 0.000 0.489 289 F N 0.809 120.792 119.950 0.056 0.000 2.507 289 F HA 0.480 5.014 4.527 0.012 0.000 0.327 289 F C 0.375 176.216 175.800 0.068 0.000 1.068 289 F CA -1.401 56.638 58.000 0.065 0.000 0.965 289 F CB 1.284 40.359 39.000 0.124 0.000 1.192 289 F HN -0.203 nan 8.300 nan 0.000 0.476 290 I N -0.706 120.013 120.570 0.248 0.000 2.785 290 I HA 0.581 4.758 4.170 0.012 0.000 0.302 290 I C -0.105 176.139 176.117 0.213 0.000 1.069 290 I CA -1.241 60.176 61.300 0.195 0.000 1.045 290 I CB 1.821 39.896 38.000 0.124 0.000 1.236 290 I HN 0.630 nan 8.210 nan 0.000 0.429 291 N N 1.650 120.491 118.700 0.234 0.000 2.727 291 N HA -0.167 4.580 4.740 0.012 0.000 0.249 291 N C -1.139 174.595 175.510 0.374 0.000 1.048 291 N CA 1.289 54.514 53.050 0.292 0.000 0.714 291 N CB -0.800 37.791 38.487 0.173 0.000 0.959 291 N HN 0.965 nan 8.380 nan 0.000 0.544 292 T N 0.450 115.157 114.554 0.255 0.000 2.893 292 T HA 0.517 4.874 4.350 0.012 0.000 0.293 292 T C -0.248 174.092 174.700 -0.600 0.000 1.027 292 T CA -0.731 61.290 62.100 -0.132 0.000 0.988 292 T CB 2.246 70.877 68.868 -0.395 0.000 1.043 292 T HN 0.334 nan 8.240 nan 0.000 0.461 293 R N 1.505 121.488 120.500 -0.863 0.000 2.686 293 R HA 0.698 5.045 4.340 0.012 0.000 0.286 293 R C -1.647 174.258 176.300 -0.659 0.000 0.969 293 R CA -0.665 54.893 56.100 -0.902 0.000 0.898 293 R CB 0.998 30.593 30.300 -1.174 0.000 1.183 293 R HN 0.488 nan 8.270 nan 0.000 0.456 294 F N 2.950 122.869 119.950 -0.052 0.000 2.508 294 F HA 0.420 4.954 4.527 0.012 0.000 0.325 294 F C -0.172 175.669 175.800 0.068 0.000 1.090 294 F CA -0.889 57.118 58.000 0.013 0.000 0.945 294 F CB 2.082 41.039 39.000 -0.071 0.000 1.156 294 F HN 0.111 nan 8.300 nan 0.000 0.463 295 V N 1.303 121.316 119.914 0.165 0.000 2.435 295 V HA 0.588 4.715 4.120 0.012 0.000 0.290 295 V C -1.313 174.849 176.094 0.113 0.000 1.030 295 V CA -1.144 61.106 62.300 -0.083 0.000 0.881 295 V CB 1.393 33.048 31.823 -0.281 0.000 0.983 295 V HN 0.808 nan 8.190 nan 0.000 0.445 296 Y N 1.720 121.994 120.300 -0.045 0.000 2.442 296 Y HA 0.477 5.034 4.550 0.012 0.000 0.330 296 Y C -0.468 175.434 175.900 0.004 0.000 1.100 296 Y CA -0.587 57.503 58.100 -0.017 0.000 1.034 296 Y CB 2.094 40.509 38.460 -0.075 0.000 1.285 296 Y HN 0.788 nan 8.280 nan 0.000 0.440 297 E N 6.660 126.578 120.200 -0.470 0.000 2.079 297 E HA 0.199 4.556 4.350 0.012 0.000 0.252 297 E C 0.629 176.738 176.600 -0.819 0.000 0.992 297 E CA -0.451 55.658 56.400 -0.486 0.000 0.829 297 E CB 1.095 30.648 29.700 -0.245 0.000 1.158 297 E HN 0.687 nan 8.360 nan 0.000 0.435 298 R N 2.339 122.240 120.500 -1.000 0.000 2.083 298 R HA -0.089 4.258 4.340 0.012 0.000 0.237 298 R C 0.515 176.641 176.300 -0.291 0.000 1.137 298 R CA 1.093 56.783 56.100 -0.683 0.000 0.951 298 R CB 0.301 30.444 30.300 -0.261 0.000 0.851 298 R HN 0.359 nan 8.270 nan 0.000 0.434 299 I N 2.259 122.696 120.570 -0.222 0.000 2.339 299 I HA 0.308 4.485 4.170 0.012 0.000 0.290 299 I C -2.296 173.724 176.117 -0.162 0.000 0.994 299 I CA -3.226 57.987 61.300 -0.144 0.000 1.191 299 I CB 1.194 39.132 38.000 -0.104 0.000 1.343 299 I HN -0.089 nan 8.210 nan 0.000 0.458 300 P HA 0.133 nan 4.420 nan 0.000 0.262 300 P C 0.868 178.103 177.300 -0.108 0.000 1.182 300 P CA 0.723 63.759 63.100 -0.106 0.000 0.761 300 P CB 0.537 32.197 31.700 -0.067 0.000 0.795 301 G N 2.315 111.053 108.800 -0.104 0.000 2.176 301 G HA2 -0.260 3.707 3.960 0.012 0.000 0.253 301 G HA3 -0.260 3.707 3.960 0.012 0.000 0.253 301 G C 0.057 174.842 174.900 -0.192 0.000 0.979 301 G CA -0.291 44.755 45.100 -0.091 0.000 0.641 301 G HN 0.602 nan 8.290 nan 0.000 0.530 302 Q N 0.760 120.411 119.800 -0.249 0.000 2.907 302 Q HA 0.267 4.614 4.340 0.012 0.000 0.262 302 Q C -2.706 173.186 176.000 -0.180 0.000 0.997 302 Q CA -1.717 53.877 55.803 -0.349 0.000 0.797 302 Q CB 2.341 30.833 28.738 -0.409 0.000 1.228 302 Q HN 0.348 nan 8.270 nan 0.000 0.466 303 P HA 0.103 nan 4.420 nan 0.000 0.271 303 P C -0.608 176.627 177.300 -0.109 0.000 1.220 303 P CA 0.257 63.270 63.100 -0.144 0.000 0.768 303 P CB 1.021 32.635 31.700 -0.144 0.000 0.848 304 L N 3.294 124.440 121.223 -0.130 0.000 2.283 304 L HA 0.539 4.886 4.340 0.012 0.000 0.259 304 L C -0.312 176.403 176.870 -0.258 0.000 1.027 304 L CA -1.148 53.641 54.840 -0.085 0.000 0.828 304 L CB 1.296 43.315 42.059 -0.067 0.000 1.380 304 L HN 0.273 nan 8.230 nan 0.000 0.425 305 Y N -0.398 119.796 120.300 -0.176 0.000 2.468 305 Y HA 0.581 5.138 4.550 0.012 0.000 0.342 305 Y C -1.088 174.595 175.900 -0.361 0.000 1.021 305 Y CA -0.728 57.307 58.100 -0.107 0.000 1.079 305 Y CB 1.622 40.023 38.460 -0.098 0.000 1.226 305 Y HN 0.200 nan 8.280 nan 0.000 0.460 306 Y N 0.603 121.006 120.300 0.173 0.000 2.354 306 Y HA 0.661 5.219 4.550 0.012 0.000 0.330 306 Y C -0.317 175.624 175.900 0.068 0.000 1.011 306 Y CA -1.279 56.895 58.100 0.124 0.000 1.099 306 Y CB 1.722 40.265 38.460 0.139 0.000 1.179 306 Y HN 0.697 nan 8.280 nan 0.000 0.442 307 A N 2.436 125.340 122.820 0.140 0.000 2.274 307 A HA 0.599 4.926 4.320 0.012 0.000 0.309 307 A C 0.294 177.977 177.584 0.165 0.000 1.226 307 A CA -0.524 51.554 52.037 0.067 0.000 0.853 307 A CB 0.219 19.332 19.000 0.188 0.000 1.146 307 A HN 0.763 nan 8.150 nan 0.000 0.518 308 S N 2.604 118.392 115.700 0.146 0.000 2.617 308 S HA 0.225 4.702 4.470 0.012 0.000 0.259 308 S C 0.166 174.903 174.600 0.229 0.000 1.301 308 S CA -0.510 57.821 58.200 0.218 0.000 0.984 308 S CB 0.268 63.613 63.200 0.241 0.000 0.954 308 S HN 0.682 nan 8.310 nan 0.000 0.572 309 E N 1.125 121.446 120.200 0.202 0.000 2.481 309 E HA -0.020 4.337 4.350 0.012 0.000 0.263 309 E C 0.709 177.421 176.600 0.187 0.000 0.992 309 E CA 0.770 57.274 56.400 0.174 0.000 0.938 309 E CB -0.019 29.760 29.700 0.131 0.000 0.933 309 E HN 0.829 nan 8.360 nan 0.000 0.453 310 E N 0.285 120.585 120.200 0.166 0.000 3.799 310 E HA -0.324 4.033 4.350 0.012 0.000 0.320 310 E C 0.800 177.494 176.600 0.157 0.000 0.760 310 E CA 0.820 57.301 56.400 0.135 0.000 1.153 310 E CB -1.489 28.272 29.700 0.101 0.000 1.589 310 E HN 0.560 nan 8.360 nan 0.000 0.448 311 F N 1.439 121.442 119.950 0.088 0.000 2.113 311 F HA -0.067 4.467 4.527 0.012 0.000 0.297 311 F C 1.359 177.211 175.800 0.086 0.000 1.103 311 F CA 1.504 59.550 58.000 0.077 0.000 1.248 311 F CB 0.343 39.386 39.000 0.071 0.000 0.999 311 F HN -0.004 nan 8.300 nan 0.000 0.475 312 V N 0.220 120.243 119.914 0.181 0.000 2.713 312 V HA 0.372 4.499 4.120 0.012 0.000 0.307 312 V C -0.451 175.694 176.094 0.087 0.000 1.052 312 V CA -0.820 61.525 62.300 0.076 0.000 0.967 312 V CB 1.524 33.448 31.823 0.168 0.000 1.019 312 V HN 0.194 nan 8.190 nan 0.000 0.459 313 Q N 3.150 122.974 119.800 0.039 0.000 2.402 313 Q HA 0.616 4.963 4.340 0.012 0.000 0.238 313 Q C 0.156 176.208 176.000 0.086 0.000 1.126 313 Q CA 0.386 56.222 55.803 0.055 0.000 0.904 313 Q CB 0.919 29.672 28.738 0.026 0.000 1.357 313 Q HN 1.138 nan 8.270 nan 0.000 0.491 314 G N 1.793 110.640 108.800 0.078 0.000 2.646 314 G HA2 0.503 4.470 3.960 0.012 0.000 0.291 314 G HA3 0.503 4.470 3.960 0.012 0.000 0.291 314 G C -1.831 172.937 174.900 -0.220 0.000 1.445 314 G CA -0.463 44.602 45.100 -0.058 0.000 0.814 314 G HN 0.404 nan 8.290 nan 0.000 0.495 315 E N -0.318 119.520 120.200 -0.603 0.000 2.352 315 E HA 0.486 4.843 4.350 0.012 0.000 0.280 315 E C -1.817 174.460 176.600 -0.538 0.000 0.930 315 E CA -0.796 55.338 56.400 -0.443 0.000 0.765 315 E CB 2.545 32.051 29.700 -0.324 0.000 1.219 315 E HN 0.469 nan 8.360 nan 0.000 0.434 316 L N 4.355 125.423 121.223 -0.260 0.000 2.312 316 L HA 0.580 4.927 4.340 0.012 0.000 0.281 316 L C -1.653 175.108 176.870 -0.182 0.000 1.070 316 L CA 0.136 54.991 54.840 0.024 0.000 0.805 316 L CB 0.513 42.711 42.059 0.233 0.000 1.174 316 L HN 0.502 nan 8.230 nan 0.000 0.434 317 F N 3.516 123.504 119.950 0.062 0.000 2.522 317 F HA 0.494 5.028 4.527 0.012 0.000 0.324 317 F C 0.055 175.810 175.800 -0.076 0.000 1.077 317 F CA -0.742 57.258 58.000 0.000 0.000 0.944 317 F CB 1.631 40.636 39.000 0.009 0.000 1.175 317 F HN 0.343 nan 8.300 nan 0.000 0.468 318 K N 3.640 124.036 120.400 -0.007 0.000 2.227 318 K HA 0.441 4.768 4.320 0.012 0.000 0.280 318 K C 0.408 176.745 176.600 -0.439 0.000 1.041 318 K CA -0.252 55.769 56.287 -0.444 0.000 0.905 318 K CB 0.735 32.984 32.500 -0.417 0.000 1.068 318 K HN 0.842 nan 8.250 nan 0.000 0.470 319 I N 0.099 120.253 120.570 -0.694 0.000 4.456 319 I HA 0.159 4.336 4.170 0.012 0.000 0.329 319 I C 0.078 175.863 176.117 -0.553 0.000 1.313 319 I CA -0.333 60.494 61.300 -0.788 0.000 1.205 319 I CB 0.957 37.987 38.000 -1.617 0.000 1.179 319 I HN 0.456 nan 8.210 nan 0.000 0.419 320 T N -1.749 112.478 114.554 -0.546 0.000 2.916 320 T HA 0.568 4.925 4.350 0.012 0.000 0.292 320 T C -1.002 173.518 174.700 -0.300 0.000 1.055 320 T CA -0.438 61.445 62.100 -0.361 0.000 1.009 320 T CB 2.602 71.229 68.868 -0.402 0.000 1.118 320 T HN 0.123 nan 8.240 nan 0.000 0.497 321 D N 0.819 121.126 120.400 -0.155 0.000 2.668 321 D HA 0.352 4.999 4.640 0.012 0.000 0.247 321 D C -1.178 175.115 176.300 -0.013 0.000 1.268 321 D CA -0.045 53.895 54.000 -0.101 0.000 0.842 321 D CB 0.851 41.599 40.800 -0.086 0.000 1.399 321 D HN 0.649 nan 8.370 nan 0.000 0.530 322 T N 1.688 116.255 114.554 0.022 0.000 2.900 322 T HA 0.435 4.792 4.350 0.012 0.000 0.295 322 T C -2.027 172.731 174.700 0.097 0.000 1.044 322 T CA -1.399 60.774 62.100 0.122 0.000 0.995 322 T CB 2.368 71.375 68.868 0.231 0.000 1.072 322 T HN -0.073 nan 8.240 nan 0.000 0.473 323 P HA 0.077 nan 4.420 nan 0.000 0.233 323 P C -0.149 177.087 177.300 -0.107 0.000 1.167 323 P CA 0.470 63.511 63.100 -0.097 0.000 0.770 323 P CB -0.070 31.494 31.700 -0.225 0.000 0.837 324 Y N -1.488 118.874 120.300 0.103 0.000 2.385 324 Y HA 0.038 4.595 4.550 0.012 0.000 0.346 324 Y C 0.968 177.009 175.900 0.236 0.000 1.270 324 Y CA -0.382 57.842 58.100 0.206 0.000 1.472 324 Y CB -0.096 38.527 38.460 0.272 0.000 1.354 324 Y HN -0.119 nan 8.280 nan 0.000 0.611 325 Y N 2.962 123.442 120.300 0.300 0.000 2.640 325 Y HA 0.137 4.694 4.550 0.012 0.000 0.355 325 Y C -0.703 175.309 175.900 0.186 0.000 1.088 325 Y CA -0.850 57.327 58.100 0.128 0.000 1.443 325 Y CB -0.753 37.681 38.460 -0.043 0.000 1.224 325 Y HN 0.459 nan 8.280 nan 0.000 0.516 326 N N 4.842 123.666 118.700 0.205 0.000 2.457 326 N HA 0.693 5.440 4.740 0.012 0.000 0.250 326 N C -0.863 174.613 175.510 -0.057 0.000 0.982 326 N CA -0.305 52.857 53.050 0.186 0.000 0.941 326 N CB 1.090 39.565 38.487 -0.021 0.000 1.120 326 N HN 0.624 nan 8.380 nan 0.000 0.505 327 A N 1.371 124.193 122.820 0.004 0.000 2.524 327 A HA 0.552 4.879 4.320 0.012 0.000 0.303 327 A C -1.335 176.242 177.584 -0.010 0.000 1.195 327 A CA -0.754 51.049 52.037 -0.390 0.000 0.651 327 A CB 0.688 18.997 19.000 -1.151 0.000 1.323 327 A HN 0.689 nan 8.150 nan 0.000 0.479 328 W N -2.498 118.891 121.300 0.148 0.000 5.820 328 W HA -0.111 4.556 4.660 0.011 0.000 0.415 328 W C -2.263 174.355 176.519 0.166 0.000 1.627 328 W CA 0.215 57.645 57.345 0.143 0.000 0.991 328 W CB -2.307 27.201 29.460 0.080 0.000 2.842 328 W HN 0.540 nan 8.180 nan 0.000 1.416 329 P HA -0.186 nan 4.420 nan 0.000 0.219 329 P C 1.171 178.628 177.300 0.261 0.000 1.146 329 P CA 1.875 65.126 63.100 0.252 0.000 0.808 329 P CB 0.128 31.918 31.700 0.150 0.000 0.779 330 Q N 0.885 120.869 119.800 0.308 0.000 2.269 330 Q HA -0.034 4.313 4.340 0.012 0.000 0.300 330 Q C -0.451 175.654 176.000 0.176 0.000 1.070 330 Q CA 0.311 56.299 55.803 0.308 0.000 0.957 330 Q CB -0.153 28.890 28.738 0.509 0.000 1.131 330 Q HN -0.053 nan 8.270 nan 0.000 0.377 331 D N 2.662 123.037 120.400 -0.041 0.000 2.434 331 D HA 0.222 4.869 4.640 0.012 0.000 0.275 331 D C -0.510 175.842 176.300 0.086 0.000 1.172 331 D CA -0.502 53.500 54.000 0.004 0.000 0.916 331 D CB 0.566 41.256 40.800 -0.183 0.000 1.041 331 D HN 0.644 nan 8.370 nan 0.000 0.501 332 K N 0.699 121.196 120.400 0.162 0.000 2.450 332 K HA 0.365 4.692 4.320 0.012 0.000 0.206 332 K C 0.648 177.426 176.600 0.297 0.000 1.148 332 K CA -0.386 56.022 56.287 0.201 0.000 1.014 332 K CB 1.199 33.824 32.500 0.208 0.000 0.966 332 K HN 0.295 nan 8.250 nan 0.000 0.566 333 A N 1.805 124.771 122.820 0.244 0.000 2.425 333 A HA 0.446 4.773 4.320 0.012 0.000 0.242 333 A C -0.149 177.597 177.584 0.269 0.000 1.077 333 A CA 0.194 52.344 52.037 0.188 0.000 0.781 333 A CB -0.287 18.804 19.000 0.152 0.000 1.020 333 A HN 0.296 nan 8.150 nan 0.000 0.494 334 F N -0.733 119.278 119.950 0.103 0.000 2.741 334 F HA 0.603 5.136 4.527 0.011 0.000 0.311 334 F C -1.170 174.701 175.800 0.118 0.000 1.149 334 F CA -1.233 56.812 58.000 0.074 0.000 0.930 334 F CB 1.099 40.083 39.000 -0.028 0.000 1.312 334 F HN 0.562 nan 8.300 nan 0.000 0.450 335 V N 2.436 122.519 119.914 0.282 0.000 2.495 335 V HA 0.708 4.835 4.120 0.012 0.000 0.298 335 V C -2.178 174.163 176.094 0.412 0.000 1.031 335 V CA -0.575 61.850 62.300 0.210 0.000 0.871 335 V CB 1.674 33.556 31.823 0.099 0.000 0.988 335 V HN 0.915 nan 8.190 nan 0.000 0.432 336 Y N 4.694 125.140 120.300 0.244 0.000 2.361 336 Y HA 0.434 4.992 4.550 0.013 0.000 0.328 336 Y C 0.262 176.241 175.900 0.132 0.000 1.044 336 Y CA -0.855 57.361 58.100 0.192 0.000 1.085 336 Y CB 1.509 40.075 38.460 0.176 0.000 1.194 336 Y HN 0.881 nan 8.280 nan 0.000 0.438 337 E N 4.970 124.885 120.200 -0.475 0.000 2.183 337 E HA -0.396 3.961 4.350 0.012 0.000 0.196 337 E C -0.004 176.504 176.600 -0.153 0.000 1.364 337 E CA 1.403 57.581 56.400 -0.371 0.000 0.700 337 E CB -1.168 28.217 29.700 -0.525 0.000 1.106 337 E HN 0.980 nan 8.360 nan 0.000 0.347 338 N N -2.642 115.995 118.700 -0.105 0.000 2.936 338 N HA -0.203 4.544 4.740 0.012 0.000 0.236 338 N C -0.482 174.933 175.510 -0.158 0.000 0.930 338 N CA 1.225 54.214 53.050 -0.102 0.000 0.966 338 N CB -0.390 38.040 38.487 -0.094 0.000 1.090 338 N HN 0.192 nan 8.380 nan 0.000 0.592 339 V N 1.624 121.449 119.914 -0.148 0.000 2.427 339 V HA 0.443 4.570 4.120 0.012 0.000 0.286 339 V C 0.514 176.388 176.094 -0.365 0.000 1.034 339 V CA -0.572 61.531 62.300 -0.329 0.000 0.893 339 V CB 1.549 33.133 31.823 -0.398 0.000 0.982 339 V HN 0.088 nan 8.190 nan 0.000 0.452 340 I N 5.069 125.297 120.570 -0.570 0.000 2.342 340 I HA 0.343 4.520 4.170 0.012 0.000 0.291 340 I C -0.920 174.806 176.117 -0.651 0.000 1.010 340 I CA -0.291 60.700 61.300 -0.516 0.000 1.308 340 I CB 0.606 38.231 38.000 -0.624 0.000 1.400 340 I HN 0.489 nan 8.210 nan 0.000 0.488 341 Y N 4.478 124.392 120.300 -0.643 0.000 2.341 341 Y HA 0.578 5.134 4.550 0.011 0.000 0.337 341 Y C 0.331 176.006 175.900 -0.375 0.000 1.014 341 Y CA -0.862 56.782 58.100 -0.758 0.000 1.111 341 Y CB 1.913 39.403 38.460 -1.615 0.000 1.194 341 Y HN 0.580 nan 8.280 nan 0.000 0.462 342 A N 6.113 128.965 122.820 0.054 0.000 2.786 342 A HA 0.581 4.908 4.320 0.012 0.000 0.346 342 A C -2.916 174.874 177.584 0.343 0.000 1.265 342 A CA -1.771 50.353 52.037 0.145 0.000 0.858 342 A CB -0.188 18.817 19.000 0.008 0.000 1.118 342 A HN 0.384 nan 8.150 nan 0.000 0.482 343 P HA 0.510 nan 4.420 nan 0.000 0.274 343 P C -0.713 176.851 177.300 0.440 0.000 1.231 343 P CA 0.146 63.537 63.100 0.484 0.000 0.790 343 P CB 0.397 32.373 31.700 0.460 0.000 0.951 344 Y N -1.679 118.740 120.300 0.198 0.000 2.914 344 Y HA 0.701 5.258 4.550 0.011 0.000 0.327 344 Y C -1.530 174.472 175.900 0.169 0.000 1.440 344 Y CA -1.405 56.802 58.100 0.179 0.000 1.086 344 Y CB 0.860 39.406 38.460 0.144 0.000 1.544 344 Y HN 0.067 nan 8.280 nan 0.000 0.442 345 M N 1.629 121.433 119.600 0.341 0.000 2.253 345 M HA 0.560 5.047 4.480 0.012 0.000 0.314 345 M C -0.513 176.027 176.300 0.401 0.000 1.019 345 M CA -0.802 54.593 55.300 0.160 0.000 0.932 345 M CB 2.363 35.012 32.600 0.083 0.000 1.606 345 M HN 0.939 nan 8.290 nan 0.000 0.430 346 G N 1.728 110.612 108.800 0.141 0.000 2.415 346 G HA2 0.594 4.561 3.960 0.012 0.000 0.317 346 G HA3 0.594 4.561 3.960 0.012 0.000 0.317 346 G C -0.284 174.672 174.900 0.095 0.000 1.152 346 G CA -0.278 44.977 45.100 0.258 0.000 0.956 346 G HN 0.778 nan 8.290 nan 0.000 0.458 347 S N 0.773 116.658 115.700 0.310 0.000 2.998 347 S HA 0.623 5.100 4.470 0.012 0.000 0.307 347 S C 0.295 175.080 174.600 0.310 0.000 1.063 347 S CA 0.074 58.399 58.200 0.208 0.000 0.895 347 S CB 1.845 65.097 63.200 0.086 0.000 1.362 347 S HN 0.419 nan 8.310 nan 0.000 0.657 348 D N -0.582 119.890 120.400 0.119 0.000 2.469 348 D HA 0.248 4.895 4.640 0.012 0.000 0.213 348 D C 0.488 176.628 176.300 -0.267 0.000 1.135 348 D CA -0.266 53.684 54.000 -0.082 0.000 0.834 348 D CB 0.059 40.928 40.800 0.115 0.000 1.009 348 D HN 0.791 nan 8.370 nan 0.000 0.507 349 R N -1.655 118.726 120.500 -0.198 0.000 2.780 349 R HA 0.225 4.572 4.340 0.012 0.000 0.280 349 R C -1.547 174.616 176.300 -0.228 0.000 1.016 349 R CA -0.756 55.194 56.100 -0.250 0.000 0.854 349 R CB -0.232 30.025 30.300 -0.072 0.000 1.293 349 R HN -0.194 nan 8.270 nan 0.000 0.483 350 H N -0.121 118.799 119.070 -0.250 0.000 3.356 350 H HA 0.484 5.047 4.556 0.012 0.000 0.260 350 H C 0.288 175.517 175.328 -0.165 0.000 1.570 350 H CA 1.739 57.732 56.048 -0.092 0.000 1.547 350 H CB 0.285 30.070 29.762 0.038 0.000 1.774 350 H HN 0.837 nan 8.280 nan 0.000 0.542 351 G N -0.397 108.272 108.800 -0.218 0.000 2.315 351 G HA2 0.153 4.120 3.960 0.012 0.000 0.294 351 G HA3 0.153 4.120 3.960 0.012 0.000 0.294 351 G C 0.051 174.830 174.900 -0.201 0.000 1.300 351 G CA -0.233 44.756 45.100 -0.185 0.000 0.843 351 G HN 0.445 nan 8.290 nan 0.000 0.527 352 V N -1.904 117.921 119.914 -0.149 0.000 3.596 352 V HA 0.490 4.617 4.120 0.012 0.000 0.289 352 V C 1.207 177.283 176.094 -0.030 0.000 1.336 352 V CA 0.870 63.105 62.300 -0.108 0.000 1.137 352 V CB 0.026 31.783 31.823 -0.111 0.000 0.966 352 V HN 1.220 nan 8.190 nan 0.000 0.428 353 S N 1.637 117.328 115.700 -0.015 0.000 2.537 353 S HA 0.280 4.757 4.470 0.012 0.000 0.286 353 S C 1.115 175.782 174.600 0.112 0.000 1.299 353 S CA 0.318 58.565 58.200 0.079 0.000 1.067 353 S CB -0.339 62.881 63.200 0.034 0.000 0.864 353 S HN 0.721 nan 8.310 nan 0.000 0.494 354 R N -0.193 120.425 120.500 0.197 0.000 4.000 354 R HA -0.177 4.170 4.340 0.012 0.000 0.362 354 R C -0.281 175.910 176.300 -0.180 0.000 1.183 354 R CA 0.708 56.833 56.100 0.042 0.000 1.011 354 R CB -1.912 28.520 30.300 0.222 0.000 1.501 354 R HN 0.557 nan 8.270 nan 0.000 0.553 355 L N 2.030 123.110 121.223 -0.240 0.000 2.331 355 L HA 0.301 4.648 4.340 0.012 0.000 0.278 355 L C -0.033 176.477 176.870 -0.601 0.000 1.106 355 L CA 0.150 54.809 54.840 -0.302 0.000 0.824 355 L CB 0.564 42.518 42.059 -0.175 0.000 1.142 355 L HN 0.052 nan 8.230 nan 0.000 0.443 356 H N 4.396 123.185 119.070 -0.467 0.000 2.529 356 H HA 0.355 4.918 4.556 0.012 0.000 0.348 356 H C -0.682 174.432 175.328 -0.356 0.000 1.079 356 H CA -0.825 54.909 56.048 -0.525 0.000 1.198 356 H CB 2.134 31.263 29.762 -1.055 0.000 1.521 356 H HN 0.436 nan 8.280 nan 0.000 0.514 357 V N 3.508 123.317 119.914 -0.176 0.000 2.529 357 V HA 0.069 4.196 4.120 0.012 0.000 0.292 357 V C 0.407 176.383 176.094 -0.197 0.000 1.028 357 V CA 0.457 62.636 62.300 -0.202 0.000 1.074 357 V CB 0.605 32.293 31.823 -0.225 0.000 0.958 357 V HN 0.745 nan 8.190 nan 0.000 0.481 358 S N 3.640 119.141 115.700 -0.332 0.000 2.661 358 S HA 0.852 5.329 4.470 0.012 0.000 0.285 358 S C -1.230 173.231 174.600 -0.232 0.000 1.138 358 S CA -0.701 57.282 58.200 -0.362 0.000 0.855 358 S CB 2.161 64.987 63.200 -0.623 0.000 1.136 358 S HN 0.854 nan 8.310 nan 0.000 0.484 359 W N 0.335 121.634 121.300 -0.002 0.000 3.118 359 W HA 0.786 5.454 4.660 0.012 0.000 0.328 359 W C -1.481 175.209 176.519 0.285 0.000 1.239 359 W CA -1.476 55.986 57.345 0.195 0.000 1.176 359 W CB -0.355 29.226 29.460 0.201 0.000 1.433 359 W HN 0.609 nan 8.180 nan 0.000 0.562 360 V N -0.283 120.001 119.914 0.617 0.000 2.919 360 V HA 0.823 4.950 4.120 0.012 0.000 0.316 360 V C -0.547 175.664 176.094 0.195 0.000 1.077 360 V CA -1.622 60.900 62.300 0.369 0.000 0.977 360 V CB 1.720 33.707 31.823 0.274 0.000 1.039 360 V HN 0.641 nan 8.190 nan 0.000 0.441 361 K N 1.238 121.656 120.400 0.030 0.000 2.435 361 K HA 0.715 5.042 4.320 0.012 0.000 0.251 361 K C -1.044 175.227 176.600 -0.548 0.000 0.954 361 K CA -0.526 55.508 56.287 -0.422 0.000 0.820 361 K CB 2.219 34.252 32.500 -0.779 0.000 1.292 361 K HN 0.816 nan 8.250 nan 0.000 0.436 362 S N -0.061 114.999 115.700 -1.068 0.000 2.502 362 S HA 0.527 5.004 4.470 0.012 0.000 0.304 362 S C 0.235 174.350 174.600 -0.809 0.000 1.097 362 S CA -0.525 56.920 58.200 -1.259 0.000 1.045 362 S CB 1.184 63.061 63.200 -2.204 0.000 1.019 362 S HN 0.787 nan 8.310 nan 0.000 0.481 363 G N 1.960 110.417 108.800 -0.573 0.000 3.393 363 G HA2 0.220 4.187 3.960 0.012 0.000 0.255 363 G HA3 0.220 4.187 3.960 0.012 0.000 0.255 363 G C -0.195 174.529 174.900 -0.294 0.000 1.097 363 G CA -0.239 44.630 45.100 -0.383 0.000 0.780 363 G HN 0.782 nan 8.290 nan 0.000 0.540 364 D N -0.748 119.444 120.400 -0.347 0.000 2.908 364 D HA 0.158 4.805 4.640 0.012 0.000 0.361 364 D C -0.186 175.941 176.300 -0.289 0.000 1.416 364 D CA -0.781 53.090 54.000 -0.214 0.000 0.796 364 D CB -0.253 40.521 40.800 -0.044 0.000 1.185 364 D HN -0.037 nan 8.370 nan 0.000 0.451 365 D N 0.305 120.488 120.400 -0.362 0.000 2.800 365 D HA -0.120 4.527 4.640 0.012 0.000 0.232 365 D C 1.321 177.397 176.300 -0.373 0.000 1.137 365 D CA 1.587 55.392 54.000 -0.325 0.000 0.718 365 D CB -1.474 39.228 40.800 -0.163 0.000 1.084 365 D HN 0.783 nan 8.370 nan 0.000 0.432 366 G N -0.646 107.764 108.800 -0.651 0.000 2.176 366 G HA2 -0.390 3.577 3.960 0.012 0.000 0.232 366 G HA3 -0.390 3.577 3.960 0.012 0.000 0.232 366 G C 0.915 175.349 174.900 -0.777 0.000 0.986 366 G CA 0.583 45.304 45.100 -0.631 0.000 0.643 366 G HN 0.469 nan 8.290 nan 0.000 0.522 367 Q N -0.624 118.787 119.800 -0.648 0.000 2.172 367 Q HA 0.133 4.481 4.340 0.012 0.000 0.200 367 Q C 1.042 176.901 176.000 -0.235 0.000 0.964 367 Q CA 1.552 57.058 55.803 -0.496 0.000 0.855 367 Q CB 0.272 28.709 28.738 -0.502 0.000 0.918 367 Q HN 0.428 nan 8.270 nan 0.000 0.444 368 T N -1.046 113.313 114.554 -0.324 0.000 2.894 368 T HA 0.462 4.819 4.350 0.012 0.000 0.309 368 T C -2.167 172.262 174.700 -0.453 0.000 1.208 368 T CA -0.648 61.367 62.100 -0.142 0.000 1.016 368 T CB 0.902 69.791 68.868 0.035 0.000 1.192 368 T HN 0.134 nan 8.240 nan 0.000 0.491 369 W N 1.577 122.770 121.300 -0.178 0.000 2.962 369 W HA 0.628 5.296 4.660 0.013 0.000 0.341 369 W C 0.382 176.817 176.519 -0.140 0.000 1.155 369 W CA -0.697 56.538 57.345 -0.184 0.000 1.165 369 W CB 1.352 30.695 29.460 -0.196 0.000 1.435 369 W HN 0.743 nan 8.180 nan 0.000 0.546 370 S N -0.432 115.321 115.700 0.089 0.000 2.645 370 S HA 0.486 4.963 4.470 0.012 0.000 0.266 370 S C 0.027 174.672 174.600 0.075 0.000 1.258 370 S CA -0.647 57.573 58.200 0.034 0.000 0.990 370 S CB 0.636 63.830 63.200 -0.011 0.000 0.967 370 S HN 0.345 nan 8.310 nan 0.000 0.556 371 T N 3.617 118.197 114.554 0.043 0.000 2.902 371 T HA 0.258 4.615 4.350 0.012 0.000 0.301 371 T C -2.337 172.409 174.700 0.077 0.000 1.012 371 T CA -0.338 61.783 62.100 0.036 0.000 1.151 371 T CB -0.258 68.603 68.868 -0.011 0.000 0.946 371 T HN 0.502 nan 8.240 nan 0.000 0.542 372 P HA 0.055 nan 4.420 nan 0.000 0.261 372 P C -0.249 177.064 177.300 0.021 0.000 1.173 372 P CA 0.170 63.367 63.100 0.162 0.000 0.760 372 P CB 0.409 32.232 31.700 0.205 0.000 0.783 373 E N 2.844 123.108 120.200 0.106 0.000 2.171 373 E HA 0.211 4.569 4.350 0.012 0.000 0.271 373 E C -0.932 175.647 176.600 -0.035 0.000 0.916 373 E CA -0.789 55.599 56.400 -0.019 0.000 0.774 373 E CB 0.609 30.380 29.700 0.118 0.000 1.128 373 E HN 0.267 nan 8.360 nan 0.000 0.403 374 W N 5.740 126.952 121.300 -0.147 0.000 2.311 374 W HA 0.196 4.863 4.660 0.012 0.000 0.310 374 W C 0.611 177.054 176.519 -0.127 0.000 1.274 374 W CA -0.591 56.641 57.345 -0.188 0.000 1.215 374 W CB 0.372 29.667 29.460 -0.275 0.000 1.227 374 W HN 0.708 nan 8.180 nan 0.000 0.523 375 L N 2.248 123.506 121.223 0.058 0.000 2.354 375 L HA 0.036 4.383 4.340 0.012 0.000 0.212 375 L C 1.299 178.272 176.870 0.172 0.000 1.091 375 L CA 0.840 55.716 54.840 0.060 0.000 0.828 375 L CB -0.393 41.587 42.059 -0.133 0.000 0.973 375 L HN 0.297 nan 8.230 nan 0.000 0.461 376 T N -3.874 110.728 114.554 0.080 0.000 2.912 376 T HA 0.417 4.774 4.350 0.012 0.000 0.288 376 T C -0.512 174.306 174.700 0.197 0.000 1.030 376 T CA -0.953 61.180 62.100 0.054 0.000 1.020 376 T CB 2.449 71.203 68.868 -0.191 0.000 1.056 376 T HN -0.195 nan 8.240 nan 0.000 0.480 377 D N 0.746 121.270 120.400 0.207 0.000 2.387 377 D HA 0.356 5.003 4.640 0.012 0.000 0.251 377 D C 0.475 176.806 176.300 0.053 0.000 1.141 377 D CA -0.538 53.572 54.000 0.185 0.000 0.987 377 D CB 0.984 41.888 40.800 0.174 0.000 1.116 377 D HN 0.499 nan 8.370 nan 0.000 0.491 378 L N 1.355 122.476 121.223 -0.171 0.000 2.485 378 L HA -0.019 4.328 4.340 0.012 0.000 0.275 378 L C 1.259 178.081 176.870 -0.080 0.000 1.207 378 L CA 0.092 54.727 54.840 -0.342 0.000 0.855 378 L CB 0.175 41.859 42.059 -0.625 0.000 1.114 378 L HN 0.338 nan 8.230 nan 0.000 0.485 379 H N 5.316 124.227 119.070 -0.264 0.000 2.948 379 H HA -0.010 4.553 4.556 0.012 0.000 0.351 379 H C -1.725 173.558 175.328 -0.075 0.000 1.079 379 H CA -1.054 54.789 56.048 -0.342 0.000 1.407 379 H CB 1.359 30.748 29.762 -0.622 0.000 1.373 379 H HN 0.364 nan 8.280 nan 0.000 0.605 380 P HA -0.122 nan 4.420 nan 0.000 0.218 380 P C 0.329 177.732 177.300 0.172 0.000 1.146 380 P CA 1.394 64.511 63.100 0.028 0.000 0.813 380 P CB 0.323 31.982 31.700 -0.070 0.000 0.778 381 D N -3.166 117.472 120.400 0.397 0.000 2.368 381 D HA 0.027 4.674 4.640 0.012 0.000 0.218 381 D C 0.238 176.581 176.300 0.071 0.000 1.112 381 D CA -0.357 53.755 54.000 0.187 0.000 0.834 381 D CB -0.528 40.342 40.800 0.117 0.000 0.953 381 D HN 0.191 nan 8.370 nan 0.000 0.505 382 Y N 3.175 123.470 120.300 -0.008 0.000 2.811 382 Y HA 0.016 4.573 4.550 0.012 0.000 0.334 382 Y C -1.241 174.633 175.900 -0.043 0.000 1.247 382 Y CA -0.716 57.343 58.100 -0.070 0.000 1.526 382 Y CB 0.870 39.291 38.460 -0.066 0.000 1.284 382 Y HN -0.055 nan 8.280 nan 0.000 0.586 383 P HA 0.143 nan 4.420 nan 0.000 0.254 383 P C 0.304 177.274 177.300 -0.550 0.000 1.620 383 P CA 0.165 62.651 63.100 -1.022 0.000 1.050 383 P CB 0.435 31.649 31.700 -0.810 0.000 1.539 384 T N -0.664 113.690 114.554 -0.334 0.000 2.851 384 T HA 0.066 4.423 4.350 0.012 0.000 0.262 384 T C 1.080 175.610 174.700 -0.283 0.000 1.043 384 T CA 1.022 62.971 62.100 -0.253 0.000 1.140 384 T CB -0.062 68.701 68.868 -0.176 0.000 0.872 384 T HN 0.132 nan 8.240 nan 0.000 0.446 385 V N -1.078 118.634 119.914 -0.336 0.000 3.130 385 V HA 0.722 4.849 4.120 0.012 0.000 0.310 385 V C -1.150 174.715 176.094 -0.381 0.000 1.158 385 V CA -1.267 60.796 62.300 -0.395 0.000 1.029 385 V CB 2.279 33.787 31.823 -0.525 0.000 1.057 385 V HN 0.308 nan 8.190 nan 0.000 0.436 386 N N -0.658 117.838 118.700 -0.340 0.000 2.927 386 N HA 0.514 5.261 4.740 0.012 0.000 0.248 386 N C -1.777 173.566 175.510 -0.279 0.000 1.443 386 N CA -0.631 52.264 53.050 -0.258 0.000 0.870 386 N CB 2.165 40.653 38.487 0.000 0.000 1.444 386 N HN 0.701 nan 8.380 nan 0.000 0.519 387 Y N 0.659 120.920 120.300 -0.065 0.000 2.281 387 Y HA 0.324 4.881 4.550 0.012 0.000 0.337 387 Y C 0.572 176.410 175.900 -0.104 0.000 1.304 387 Y CA 0.244 58.266 58.100 -0.130 0.000 1.465 387 Y CB 0.384 38.698 38.460 -0.244 0.000 1.350 387 Y HN 0.340 nan 8.280 nan 0.000 0.575 388 H N -0.190 118.844 119.070 -0.061 0.000 3.112 388 H HA 0.406 4.969 4.556 0.012 0.000 0.347 388 H C -1.898 173.335 175.328 -0.157 0.000 1.188 388 H CA -0.813 55.148 56.048 -0.144 0.000 1.240 388 H CB 1.857 31.526 29.762 -0.155 0.000 1.920 388 H HN 0.810 nan 8.280 nan 0.000 0.535 389 C N 6.207 125.225 119.300 -0.470 0.000 2.752 389 C HA 0.454 4.921 4.460 0.012 0.000 0.360 389 C C -0.030 174.813 174.990 -0.245 0.000 1.081 389 C CA -0.374 58.478 59.018 -0.275 0.000 1.272 389 C CB 0.346 27.936 27.740 -0.250 0.000 1.754 389 C HN 0.960 nan 8.230 nan 0.000 0.483 390 M N 3.440 122.998 119.600 -0.069 0.000 2.340 390 M HA 0.240 4.727 4.480 0.012 0.000 0.345 390 M C 0.237 176.572 176.300 0.057 0.000 1.008 390 M CA 0.292 55.616 55.300 0.041 0.000 0.987 390 M CB 0.757 33.478 32.600 0.202 0.000 1.598 390 M HN 0.633 nan 8.290 nan 0.000 0.569 391 S N 1.696 117.436 115.700 0.067 0.000 2.779 391 S HA 0.755 5.232 4.470 0.012 0.000 0.293 391 S C -1.056 173.587 174.600 0.071 0.000 1.150 391 S CA -0.517 57.757 58.200 0.123 0.000 1.057 391 S CB 1.049 64.379 63.200 0.216 0.000 1.021 391 S HN 0.398 nan 8.310 nan 0.000 0.485 392 M N 4.868 124.470 119.600 0.002 0.000 2.413 392 M HA 0.716 5.203 4.480 0.012 0.000 0.287 392 M C -0.758 175.155 176.300 -0.645 0.000 1.186 392 M CA -0.095 55.062 55.300 -0.238 0.000 0.927 392 M CB 1.741 34.324 32.600 -0.028 0.000 1.715 392 M HN 0.836 nan 8.290 nan 0.000 0.478 393 G N 1.634 109.586 108.800 -1.413 0.000 2.489 393 G HA2 0.579 4.546 3.960 0.012 0.000 0.305 393 G HA3 0.579 4.546 3.960 0.012 0.000 0.305 393 G C -2.333 171.708 174.900 -1.431 0.000 1.311 393 G CA -0.567 43.552 45.100 -1.635 0.000 0.813 393 G HN 0.654 nan 8.290 nan 0.000 0.480 394 V N -0.511 118.879 119.914 -0.874 0.000 2.604 394 V HA 0.656 4.783 4.120 0.012 0.000 0.305 394 V C -0.618 175.507 176.094 0.052 0.000 1.043 394 V CA -0.633 61.404 62.300 -0.438 0.000 0.888 394 V CB 1.390 32.910 31.823 -0.505 0.000 0.995 394 V HN 1.067 nan 8.190 nan 0.000 0.429 395 C N 5.957 125.426 119.300 0.282 0.000 2.446 395 C HA 0.668 5.135 4.460 0.012 0.000 0.329 395 C C 0.609 175.927 174.990 0.546 0.000 1.166 395 C CA -0.740 58.550 59.018 0.453 0.000 1.341 395 C CB 0.336 28.406 27.740 0.551 0.000 1.970 395 C HN 1.029 nan 8.230 nan 0.000 0.452 396 R N 4.209 124.914 120.500 0.341 0.000 3.251 396 R HA -0.220 4.127 4.340 0.012 0.000 0.249 396 R C 0.533 176.965 176.300 0.221 0.000 0.949 396 R CA 1.438 57.659 56.100 0.202 0.000 0.645 396 R CB -1.870 28.389 30.300 -0.068 0.000 1.065 396 R HN 1.097 nan 8.270 nan 0.000 0.452 397 N N -1.873 116.933 118.700 0.177 0.000 2.800 397 N HA -0.228 4.519 4.740 0.012 0.000 0.250 397 N C -0.819 174.648 175.510 -0.071 0.000 1.078 397 N CA 1.494 54.585 53.050 0.068 0.000 0.804 397 N CB -0.447 38.124 38.487 0.141 0.000 1.135 397 N HN 0.550 nan 8.380 nan 0.000 0.565 398 R N 0.253 120.744 120.500 -0.014 0.000 2.621 398 R HA 0.508 4.855 4.340 0.012 0.000 0.292 398 R C -0.903 175.221 176.300 -0.294 0.000 0.969 398 R CA -1.012 54.971 56.100 -0.197 0.000 0.887 398 R CB 1.807 31.935 30.300 -0.287 0.000 1.180 398 R HN 0.031 nan 8.270 nan 0.000 0.450 399 L N 2.960 123.957 121.223 -0.377 0.000 2.331 399 L HA 0.384 4.731 4.340 0.012 0.000 0.278 399 L C -1.325 175.323 176.870 -0.371 0.000 1.106 399 L CA 0.511 55.132 54.840 -0.365 0.000 0.824 399 L CB 0.226 42.198 42.059 -0.145 0.000 1.142 399 L HN 0.415 nan 8.230 nan 0.000 0.443 400 F N 4.205 123.944 119.950 -0.352 0.000 2.520 400 F HA 0.785 5.319 4.527 0.011 0.000 0.322 400 F C 0.175 175.801 175.800 -0.290 0.000 1.103 400 F CA -0.366 57.482 58.000 -0.253 0.000 0.926 400 F CB 2.010 40.770 39.000 -0.400 0.000 1.154 400 F HN 0.599 nan 8.300 nan 0.000 0.453 401 A N 3.355 126.204 122.820 0.049 0.000 2.455 401 A HA 0.722 5.049 4.320 0.012 0.000 0.300 401 A C -1.449 176.097 177.584 -0.064 0.000 1.040 401 A CA -0.723 51.283 52.037 -0.051 0.000 0.697 401 A CB 1.490 20.429 19.000 -0.102 0.000 1.265 401 A HN 0.714 nan 8.150 nan 0.000 0.407 402 M N 3.842 123.410 119.600 -0.054 0.000 2.094 402 M HA 0.433 4.920 4.480 0.012 0.000 0.348 402 M C -1.255 174.917 176.300 -0.214 0.000 1.267 402 M CA -0.470 54.789 55.300 -0.069 0.000 1.125 402 M CB -0.216 32.413 32.600 0.048 0.000 1.527 402 M HN 0.465 nan 8.290 nan 0.000 0.447 403 I N 5.040 125.351 120.570 -0.431 0.000 2.307 403 I HA 0.290 4.467 4.170 0.012 0.000 0.289 403 I C 0.065 175.982 176.117 -0.333 0.000 1.021 403 I CA -0.177 60.721 61.300 -0.670 0.000 1.224 403 I CB 0.572 37.553 38.000 -1.698 0.000 1.376 403 I HN 0.697 nan 8.210 nan 0.000 0.470 404 E N 3.868 123.986 120.200 -0.135 0.000 2.248 404 E HA 0.465 4.822 4.350 0.012 0.000 0.272 404 E C -0.502 176.131 176.600 0.056 0.000 1.008 404 E CA -0.509 55.884 56.400 -0.012 0.000 0.856 404 E CB 1.542 31.266 29.700 0.040 0.000 1.120 404 E HN 0.417 nan 8.360 nan 0.000 0.397 405 T N 2.602 117.170 114.554 0.024 0.000 2.797 405 T HA 0.503 4.860 4.350 0.012 0.000 0.279 405 T C -0.432 174.192 174.700 -0.126 0.000 0.991 405 T CA -0.742 61.328 62.100 -0.049 0.000 0.979 405 T CB 0.716 69.560 68.868 -0.039 0.000 0.943 405 T HN 0.293 nan 8.240 nan 0.000 0.444 406 R N 1.021 121.409 120.500 -0.186 0.000 2.771 406 R HA 0.585 4.932 4.340 0.012 0.000 0.274 406 R C -0.220 175.950 176.300 -0.215 0.000 0.987 406 R CA -1.040 54.941 56.100 -0.199 0.000 0.908 406 R CB 1.569 31.720 30.300 -0.248 0.000 1.213 406 R HN 0.731 nan 8.270 nan 0.000 0.468 407 T N -0.557 113.884 114.554 -0.188 0.000 2.907 407 T HA 0.151 4.508 4.350 0.012 0.000 0.298 407 T C 1.224 175.818 174.700 -0.176 0.000 1.017 407 T CA -0.596 61.394 62.100 -0.183 0.000 1.118 407 T CB 0.716 69.496 68.868 -0.145 0.000 0.948 407 T HN 0.345 nan 8.240 nan 0.000 0.531 408 L N 2.560 123.670 121.223 -0.188 0.000 2.093 408 L HA 0.110 4.457 4.340 0.012 0.000 0.208 408 L C 2.923 179.716 176.870 -0.128 0.000 1.085 408 L CA 1.950 56.689 54.840 -0.169 0.000 0.755 408 L CB -1.197 40.732 42.059 -0.217 0.000 0.904 408 L HN 0.983 nan 8.230 nan 0.000 0.435 409 A N -0.745 122.003 122.820 -0.121 0.000 1.877 409 A HA -0.189 4.138 4.320 0.012 0.000 0.216 409 A C 2.115 179.655 177.584 -0.073 0.000 1.186 409 A CA 1.840 53.825 52.037 -0.088 0.000 0.620 409 A CB -0.167 18.785 19.000 -0.082 0.000 0.822 409 A HN 0.403 nan 8.150 nan 0.000 0.443 410 K N -2.662 117.688 120.400 -0.084 0.000 2.517 410 K HA 0.107 4.434 4.320 0.012 0.000 0.210 410 K C -0.006 176.540 176.600 -0.090 0.000 1.166 410 K CA 0.205 56.450 56.287 -0.071 0.000 1.030 410 K CB 0.681 33.146 32.500 -0.059 0.000 0.974 410 K HN 0.328 nan 8.250 nan 0.000 0.585 411 N N 1.441 120.067 118.700 -0.122 0.000 2.714 411 N HA -0.187 4.560 4.740 0.012 0.000 0.250 411 N C -0.869 174.542 175.510 -0.166 0.000 1.117 411 N CA 0.814 53.764 53.050 -0.168 0.000 0.719 411 N CB -0.951 37.432 38.487 -0.173 0.000 1.081 411 N HN 0.388 nan 8.380 nan 0.000 0.557 412 A N 0.180 122.920 122.820 -0.133 0.000 2.366 412 A HA 0.481 4.808 4.320 0.012 0.000 0.272 412 A C 0.427 177.936 177.584 -0.126 0.000 1.135 412 A CA -0.486 51.484 52.037 -0.112 0.000 0.804 412 A CB 0.495 19.445 19.000 -0.084 0.000 1.064 412 A HN 0.422 nan 8.150 nan 0.000 0.499 413 L N 3.017 124.172 121.223 -0.113 0.000 2.462 413 L HA 0.248 4.595 4.340 0.012 0.000 0.272 413 L C 1.061 177.885 176.870 -0.077 0.000 1.166 413 L CA 1.295 56.075 54.840 -0.101 0.000 0.880 413 L CB 0.479 42.492 42.059 -0.077 0.000 1.142 413 L HN 0.773 nan 8.230 nan 0.000 0.473 414 T N 4.206 118.713 114.554 -0.079 0.000 3.018 414 T HA 0.202 4.559 4.350 0.012 0.000 0.246 414 T C 0.304 174.984 174.700 -0.033 0.000 1.026 414 T CA 0.172 62.233 62.100 -0.065 0.000 1.081 414 T CB -0.079 68.730 68.868 -0.099 0.000 0.970 414 T HN 0.695 nan 8.240 nan 0.000 0.475 415 N N -0.249 118.438 118.700 -0.021 0.000 2.636 415 N HA 0.258 5.005 4.740 0.012 0.000 0.261 415 N C -2.030 173.488 175.510 0.014 0.000 1.195 415 N CA -0.387 52.671 53.050 0.013 0.000 0.902 415 N CB 1.716 40.234 38.487 0.051 0.000 1.627 415 N HN 0.090 nan 8.380 nan 0.000 0.491 416 C N 1.676 120.985 119.300 0.016 0.000 2.455 416 C HA 0.945 5.412 4.460 0.012 0.000 0.320 416 C C 0.055 175.071 174.990 0.043 0.000 1.226 416 C CA -0.422 58.600 59.018 0.006 0.000 1.569 416 C CB 0.308 28.030 27.740 -0.030 0.000 2.200 416 C HN 0.730 nan 8.230 nan 0.000 0.491 417 A N 2.354 125.195 122.820 0.034 0.000 2.422 417 A HA 0.768 5.095 4.320 0.012 0.000 0.302 417 A C -1.293 176.358 177.584 0.112 0.000 1.041 417 A CA -0.442 51.673 52.037 0.129 0.000 0.708 417 A CB 0.939 20.110 19.000 0.283 0.000 1.257 417 A HN 0.853 nan 8.150 nan 0.000 0.414 418 L N 2.330 123.672 121.223 0.199 0.000 2.278 418 L HA 0.654 5.001 4.340 0.012 0.000 0.287 418 L C -1.456 175.624 176.870 0.350 0.000 1.072 418 L CA -0.057 54.907 54.840 0.206 0.000 0.819 418 L CB -0.024 42.142 42.059 0.179 0.000 1.176 418 L HN 0.632 nan 8.230 nan 0.000 0.435 419 W N 4.023 125.278 121.300 -0.075 0.000 2.573 419 W HA 0.527 5.193 4.660 0.011 0.000 0.326 419 W C -0.582 175.945 176.519 0.013 0.000 1.049 419 W CA -1.103 56.167 57.345 -0.125 0.000 1.220 419 W CB 1.480 30.619 29.460 -0.535 0.000 1.373 419 W HN 0.683 nan 8.180 nan 0.000 0.507 420 D N 0.688 121.241 120.400 0.255 0.000 2.596 420 D HA 0.778 5.425 4.640 0.012 0.000 0.234 420 D C -1.160 175.091 176.300 -0.082 0.000 1.181 420 D CA -1.076 52.872 54.000 -0.087 0.000 0.856 420 D CB 2.188 42.455 40.800 -0.889 0.000 1.498 420 D HN 0.294 nan 8.370 nan 0.000 0.446 421 R N 0.232 120.530 120.500 -0.336 0.000 2.594 421 R HA 0.424 4.771 4.340 0.012 0.000 0.265 421 R C -2.909 173.161 176.300 -0.383 0.000 1.070 421 R CA -2.017 53.775 56.100 -0.513 0.000 0.909 421 R CB 2.235 31.857 30.300 -1.130 0.000 1.243 421 R HN 0.411 nan 8.270 nan 0.000 0.455 422 P HA 0.086 nan 4.420 nan 0.000 0.271 422 P C -0.591 176.654 177.300 -0.093 0.000 1.216 422 P CA -0.186 62.783 63.100 -0.217 0.000 0.776 422 P CB 0.720 32.305 31.700 -0.191 0.000 0.881 423 M N 1.278 120.805 119.600 -0.123 0.000 2.250 423 M HA 0.146 4.633 4.480 0.012 0.000 0.344 423 M C 0.667 176.995 176.300 0.046 0.000 1.150 423 M CA 0.109 55.340 55.300 -0.114 0.000 1.147 423 M CB 0.071 32.338 32.600 -0.554 0.000 1.498 423 M HN 0.276 nan 8.290 nan 0.000 0.461 424 S N 3.737 119.499 115.700 0.103 0.000 2.531 424 S HA 0.456 4.933 4.470 0.012 0.000 0.279 424 S C -0.059 174.645 174.600 0.174 0.000 1.305 424 S CA -0.434 57.844 58.200 0.131 0.000 1.058 424 S CB 0.398 63.680 63.200 0.136 0.000 0.899 424 S HN 0.500 nan 8.310 nan 0.000 0.493 425 R N 1.301 121.874 120.500 0.121 0.000 2.707 425 R HA 0.525 4.872 4.340 0.012 0.000 0.272 425 R C -1.393 174.913 176.300 0.010 0.000 1.011 425 R CA -0.695 55.454 56.100 0.082 0.000 0.893 425 R CB 1.633 31.984 30.300 0.086 0.000 1.233 425 R HN 0.463 nan 8.270 nan 0.000 0.464 426 S N 2.074 117.746 115.700 -0.047 0.000 2.437 426 S HA 0.519 4.996 4.470 0.012 0.000 0.305 426 S C -0.520 173.865 174.600 -0.358 0.000 1.109 426 S CA -0.796 57.304 58.200 -0.166 0.000 1.099 426 S CB 0.681 63.806 63.200 -0.124 0.000 1.004 426 S HN 0.280 nan 8.310 nan 0.000 0.475 427 L N 4.227 125.195 121.223 -0.425 0.000 2.329 427 L HA 0.524 4.871 4.340 0.012 0.000 0.279 427 L C -0.426 176.042 176.870 -0.670 0.000 1.014 427 L CA -0.803 53.749 54.840 -0.480 0.000 0.814 427 L CB 1.128 43.011 42.059 -0.294 0.000 1.257 427 L HN 0.611 nan 8.230 nan 0.000 0.424 428 H N 5.071 124.032 119.070 -0.182 0.000 2.638 428 H HA 0.531 5.094 4.556 0.011 0.000 0.303 428 H C -0.705 174.397 175.328 -0.377 0.000 1.034 428 H CA -0.387 55.510 56.048 -0.252 0.000 1.225 428 H CB 1.463 31.194 29.762 -0.053 0.000 1.394 428 H HN 0.384 nan 8.280 nan 0.000 0.477 429 L N 1.562 122.414 121.223 -0.619 0.000 2.301 429 L HA 0.505 4.852 4.340 0.012 0.000 0.264 429 L C 0.256 176.859 176.870 -0.444 0.000 1.016 429 L CA -0.755 53.727 54.840 -0.598 0.000 0.821 429 L CB 2.233 43.733 42.059 -0.931 0.000 1.346 429 L HN 0.383 nan 8.230 nan 0.000 0.429 430 T N 0.826 115.320 114.554 -0.099 0.000 2.809 430 T HA 0.619 4.977 4.350 0.012 0.000 0.284 430 T C 0.142 175.000 174.700 0.264 0.000 0.992 430 T CA 0.089 62.248 62.100 0.098 0.000 0.957 430 T CB 1.462 70.362 68.868 0.053 0.000 0.942 430 T HN 1.047 nan 8.240 nan 0.000 0.439 431 G N 2.133 111.178 108.800 0.409 0.000 2.645 431 G HA2 0.210 4.177 3.960 0.012 0.000 0.246 431 G HA3 0.210 4.177 3.960 0.012 0.000 0.246 431 G C 0.776 175.914 174.900 0.396 0.000 1.322 431 G CA 0.331 45.607 45.100 0.292 0.000 0.898 431 G HN 1.995 nan 8.290 nan 0.000 0.573 432 G N -2.119 106.796 108.800 0.191 0.000 2.175 432 G HA2 -0.088 3.879 3.960 0.012 0.000 0.244 432 G HA3 -0.088 3.879 3.960 0.012 0.000 0.244 432 G C 0.299 175.236 174.900 0.061 0.000 0.982 432 G CA 0.740 45.960 45.100 0.201 0.000 0.641 432 G HN 1.571 nan 8.290 nan 0.000 0.527 433 I N 2.358 122.865 120.570 -0.104 0.000 2.362 433 I HA 0.526 4.703 4.170 0.012 0.000 0.289 433 I C 0.378 176.383 176.117 -0.186 0.000 0.994 433 I CA -0.277 60.872 61.300 -0.252 0.000 1.158 433 I CB 1.899 39.581 38.000 -0.530 0.000 1.315 433 I HN 0.230 nan 8.210 nan 0.000 0.451 434 T N 2.505 116.967 114.554 -0.153 0.000 2.893 434 T HA 0.564 4.921 4.350 0.012 0.000 0.291 434 T C -0.721 173.910 174.700 -0.115 0.000 1.028 434 T CA -0.969 61.063 62.100 -0.114 0.000 0.995 434 T CB 2.512 71.335 68.868 -0.075 0.000 1.051 434 T HN 0.600 nan 8.240 nan 0.000 0.470 435 K N 1.571 121.914 120.400 -0.095 0.000 2.637 435 K HA 0.622 4.949 4.320 0.012 0.000 0.248 435 K C -0.590 175.979 176.600 -0.052 0.000 0.971 435 K CA -0.724 55.517 56.287 -0.077 0.000 0.858 435 K CB 1.603 34.040 32.500 -0.104 0.000 1.170 435 K HN 0.955 nan 8.250 nan 0.000 0.443 436 A N 2.889 125.691 122.820 -0.030 0.000 2.425 436 A HA 0.541 4.868 4.320 0.012 0.000 0.249 436 A C 0.227 177.800 177.584 -0.018 0.000 1.084 436 A CA -0.003 52.021 52.037 -0.021 0.000 0.781 436 A CB 0.414 19.408 19.000 -0.010 0.000 1.019 436 A HN 0.877 nan 8.150 nan 0.000 0.490 437 A N 2.646 125.455 122.820 -0.019 0.000 2.561 437 A HA 0.366 4.693 4.320 0.012 0.000 0.234 437 A C 0.925 178.503 177.584 -0.010 0.000 1.055 437 A CA 0.494 52.520 52.037 -0.018 0.000 0.756 437 A CB -0.338 18.652 19.000 -0.017 0.000 0.986 437 A HN 1.380 nan 8.150 nan 0.000 0.505 438 N N -1.161 117.532 118.700 -0.011 0.000 2.829 438 N HA -0.182 4.565 4.740 0.012 0.000 0.250 438 N C -0.237 175.276 175.510 0.005 0.000 1.090 438 N CA 1.775 54.822 53.050 -0.006 0.000 0.781 438 N CB -1.599 36.886 38.487 -0.004 0.000 1.124 438 N HN 1.063 nan 8.380 nan 0.000 0.559 439 Q N -1.909 117.896 119.800 0.009 0.000 2.590 439 Q HA 0.621 4.968 4.340 0.012 0.000 0.295 439 Q C 0.065 176.072 176.000 0.011 0.000 0.973 439 Q CA -0.825 54.999 55.803 0.034 0.000 0.768 439 Q CB 0.715 29.502 28.738 0.082 0.000 1.479 439 Q HN -0.012 nan 8.270 nan 0.000 0.419 440 R N -0.809 119.690 120.500 -0.002 0.000 2.365 440 R HA 0.303 4.650 4.340 0.012 0.000 0.223 440 R C -0.401 175.784 176.300 -0.191 0.000 0.899 440 R CA 0.003 56.025 56.100 -0.130 0.000 1.059 440 R CB 0.482 30.651 30.300 -0.217 0.000 1.086 440 R HN 0.490 nan 8.270 nan 0.000 0.522 441 Y N 0.480 120.747 120.300 -0.056 0.000 2.299 441 Y HA 0.445 5.001 4.550 0.011 0.000 0.326 441 Y C 0.423 176.266 175.900 -0.096 0.000 1.164 441 Y CA -0.844 57.218 58.100 -0.064 0.000 1.234 441 Y CB 1.173 39.609 38.460 -0.039 0.000 1.219 441 Y HN -0.048 nan 8.280 nan 0.000 0.497 442 A N 1.599 124.426 122.820 0.012 0.000 2.342 442 A HA 0.589 4.916 4.320 0.012 0.000 0.323 442 A C -0.321 177.200 177.584 -0.106 0.000 1.125 442 A CA -0.696 51.285 52.037 -0.094 0.000 0.785 442 A CB 0.955 19.824 19.000 -0.219 0.000 1.221 442 A HN 0.659 nan 8.150 nan 0.000 0.463 443 T N 2.042 116.525 114.554 -0.119 0.000 2.837 443 T HA 0.589 4.946 4.350 0.012 0.000 0.285 443 T C -0.468 174.091 174.700 -0.234 0.000 0.984 443 T CA -0.495 61.514 62.100 -0.152 0.000 1.049 443 T CB 0.040 68.861 68.868 -0.078 0.000 0.947 443 T HN 0.383 nan 8.240 nan 0.000 0.472 444 I N 5.275 125.603 120.570 -0.403 0.000 2.382 444 I HA 0.267 4.444 4.170 0.012 0.000 0.286 444 I C 0.248 176.180 176.117 -0.308 0.000 1.002 444 I CA -0.887 60.138 61.300 -0.458 0.000 1.135 444 I CB 1.003 38.459 38.000 -0.908 0.000 1.288 444 I HN 0.821 nan 8.210 nan 0.000 0.448 445 H N 6.826 125.844 119.070 -0.087 0.000 2.705 445 H HA 0.513 5.075 4.556 0.010 0.000 0.291 445 H C -1.545 173.872 175.328 0.148 0.000 1.085 445 H CA -0.191 55.881 56.048 0.040 0.000 1.357 445 H CB 1.177 30.977 29.762 0.063 0.000 1.419 445 H HN 0.334 nan 8.280 nan 0.000 0.462 446 V N 8.519 128.325 119.914 -0.180 0.000 2.498 446 V HA 0.177 4.304 4.120 0.012 0.000 0.283 446 V C -2.362 173.697 176.094 -0.059 0.000 1.015 446 V CA -1.575 60.713 62.300 -0.019 0.000 0.867 446 V CB 1.586 33.574 31.823 0.275 0.000 1.025 446 V HN 0.767 nan 8.190 nan 0.000 0.441 447 P HA 0.129 nan 4.420 nan 0.000 0.264 447 P C 0.016 177.284 177.300 -0.054 0.000 1.193 447 P CA 0.550 63.577 63.100 -0.121 0.000 0.763 447 P CB 0.225 31.889 31.700 -0.059 0.000 0.810 448 D N 1.200 121.527 120.400 -0.121 0.000 2.689 448 D HA -0.203 4.444 4.640 0.012 0.000 0.237 448 D C 1.195 177.396 176.300 -0.165 0.000 1.148 448 D CA 0.790 54.674 54.000 -0.193 0.000 0.656 448 D CB -1.189 39.546 40.800 -0.108 0.000 1.050 448 D HN 0.717 nan 8.370 nan 0.000 0.426 449 H N -0.930 118.131 119.070 -0.014 0.000 2.423 449 H HA 0.061 4.623 4.556 0.011 0.000 0.297 449 H C 1.756 177.054 175.328 -0.050 0.000 1.075 449 H CA 1.264 57.319 56.048 0.012 0.000 1.342 449 H CB -0.082 29.753 29.762 0.121 0.000 1.395 449 H HN 0.377 nan 8.280 nan 0.000 0.530 450 G N 1.282 109.950 108.800 -0.220 0.000 2.179 450 G HA2 -0.271 3.696 3.960 0.012 0.000 0.257 450 G HA3 -0.271 3.696 3.960 0.012 0.000 0.257 450 G C -0.034 174.783 174.900 -0.139 0.000 1.010 450 G CA 0.544 45.597 45.100 -0.077 0.000 0.736 450 G HN 0.398 nan 8.290 nan 0.000 0.513 451 L N -0.966 120.303 121.223 0.077 0.000 2.344 451 L HA 0.857 5.204 4.340 0.012 0.000 0.272 451 L C 0.229 176.989 176.870 -0.184 0.000 1.035 451 L CA -1.266 53.458 54.840 -0.194 0.000 0.807 451 L CB 1.096 42.977 42.059 -0.297 0.000 1.237 451 L HN -0.030 nan 8.230 nan 0.000 0.442 452 F N -0.378 119.589 119.950 0.029 0.000 2.594 452 F HA 0.449 4.984 4.527 0.013 0.000 0.335 452 F C 0.174 175.964 175.800 -0.018 0.000 1.058 452 F CA -1.273 56.749 58.000 0.036 0.000 0.981 452 F CB 1.154 40.169 39.000 0.025 0.000 1.289 452 F HN -0.073 nan 8.300 nan 0.000 0.490 453 V N 1.735 121.789 119.914 0.232 0.000 2.584 453 V HA 0.295 4.422 4.120 0.012 0.000 0.303 453 V C 0.961 177.108 176.094 0.088 0.000 1.035 453 V CA 1.684 64.056 62.300 0.121 0.000 1.172 453 V CB -0.118 31.766 31.823 0.101 0.000 0.896 453 V HN 1.091 nan 8.190 nan 0.000 0.486 454 G N 3.675 112.506 108.800 0.051 0.000 2.213 454 G HA2 -0.180 3.787 3.960 0.012 0.000 0.236 454 G HA3 -0.180 3.787 3.960 0.012 0.000 0.236 454 G C -0.048 174.861 174.900 0.016 0.000 0.991 454 G CA 0.003 45.123 45.100 0.033 0.000 0.629 454 G HN 0.665 nan 8.290 nan 0.000 0.517 455 D N 0.022 120.418 120.400 -0.007 0.000 2.372 455 D HA 0.446 5.093 4.640 0.012 0.000 0.243 455 D C 0.348 176.640 176.300 -0.012 0.000 1.121 455 D CA -0.312 53.667 54.000 -0.034 0.000 0.898 455 D CB 0.585 41.324 40.800 -0.103 0.000 1.202 455 D HN 0.163 nan 8.370 nan 0.000 0.428 456 F N 2.262 122.148 119.950 -0.108 0.000 2.495 456 F HA 0.276 4.810 4.527 0.011 0.000 0.365 456 F C -0.159 175.586 175.800 -0.092 0.000 1.090 456 F CA -0.296 57.662 58.000 -0.071 0.000 1.235 456 F CB 0.450 39.413 39.000 -0.061 0.000 1.119 456 F HN 0.048 nan 8.300 nan 0.000 0.562 457 V N 4.569 124.059 119.914 -0.706 0.000 2.760 457 V HA 0.451 4.578 4.120 0.012 0.000 0.309 457 V C -1.084 174.507 176.094 -0.838 0.000 1.077 457 V CA -1.042 60.898 62.300 -0.599 0.000 0.910 457 V CB 1.454 33.095 31.823 -0.304 0.000 1.008 457 V HN 0.877 nan 8.190 nan 0.000 0.424 458 N N 2.785 121.114 118.700 -0.618 0.000 2.362 458 N HA 0.606 5.353 4.740 0.012 0.000 0.298 458 N C -1.947 173.369 175.510 -0.324 0.000 1.048 458 N CA -0.350 52.517 53.050 -0.304 0.000 0.858 458 N CB 2.054 40.574 38.487 0.054 0.000 1.218 458 N HN 0.630 nan 8.380 nan 0.000 0.488 459 F N 0.549 120.550 119.950 0.085 0.000 2.532 459 F HA 0.428 4.961 4.527 0.009 0.000 0.321 459 F C 0.235 176.144 175.800 0.181 0.000 1.089 459 F CA -0.495 57.611 58.000 0.176 0.000 0.926 459 F CB 2.201 41.252 39.000 0.085 0.000 1.168 459 F HN 0.237 nan 8.300 nan 0.000 0.459 460 S N 2.093 118.062 115.700 0.448 0.000 2.547 460 S HA 0.317 4.794 4.470 0.012 0.000 0.281 460 S C -0.447 174.407 174.600 0.424 0.000 1.118 460 S CA -1.096 57.322 58.200 0.363 0.000 0.947 460 S CB 1.446 64.836 63.200 0.317 0.000 1.053 460 S HN 0.773 nan 8.310 nan 0.000 0.482 461 N N 0.939 119.816 118.700 0.294 0.000 2.725 461 N HA -0.210 4.537 4.740 0.012 0.000 0.249 461 N C 1.212 176.854 175.510 0.219 0.000 1.103 461 N CA 0.924 54.123 53.050 0.249 0.000 0.707 461 N CB -1.421 37.243 38.487 0.295 0.000 1.043 461 N HN 0.787 nan 8.380 nan 0.000 0.553 462 S N -0.085 115.693 115.700 0.129 0.000 2.382 462 S HA 0.060 4.537 4.470 0.012 0.000 0.228 462 S C 1.492 176.002 174.600 -0.151 0.000 1.027 462 S CA 1.555 59.685 58.200 -0.117 0.000 0.991 462 S CB -0.155 62.890 63.200 -0.259 0.000 0.823 462 S HN 1.356 nan 8.310 nan 0.000 0.469 463 A N -0.733 122.050 122.820 -0.061 0.000 2.847 463 A HA -0.080 4.247 4.320 0.012 0.000 0.263 463 A C 0.248 177.766 177.584 -0.110 0.000 1.391 463 A CA 0.806 52.808 52.037 -0.059 0.000 0.866 463 A CB -2.361 16.624 19.000 -0.026 0.000 1.057 463 A HN 1.019 nan 8.150 nan 0.000 0.673 464 V N 1.162 120.979 119.914 -0.161 0.000 2.443 464 V HA 0.429 4.556 4.120 0.012 0.000 0.293 464 V C 0.681 176.676 176.094 -0.165 0.000 1.021 464 V CA -0.023 62.168 62.300 -0.180 0.000 0.848 464 V CB 1.711 33.376 31.823 -0.262 0.000 0.998 464 V HN 0.523 nan 8.190 nan 0.000 0.424 465 T N 3.813 118.293 114.554 -0.123 0.000 2.866 465 T HA 0.341 4.698 4.350 0.012 0.000 0.293 465 T C 1.372 175.994 174.700 -0.131 0.000 1.005 465 T CA 1.200 63.237 62.100 -0.105 0.000 1.162 465 T CB 0.440 69.260 68.868 -0.080 0.000 0.968 465 T HN 1.514 nan 8.240 nan 0.000 0.530 466 G N 2.201 110.929 108.800 -0.120 0.000 2.234 466 G HA2 -0.267 3.700 3.960 0.012 0.000 0.260 466 G HA3 -0.267 3.700 3.960 0.012 0.000 0.260 466 G C 0.294 175.078 174.900 -0.192 0.000 0.987 466 G CA -0.038 44.981 45.100 -0.135 0.000 0.625 466 G HN 0.792 nan 8.290 nan 0.000 0.532 467 V N 1.652 121.408 119.914 -0.262 0.000 2.258 467 V HA 0.687 4.814 4.120 0.012 0.000 0.258 467 V C 0.381 176.312 176.094 -0.272 0.000 1.121 467 V CA 0.591 62.617 62.300 -0.455 0.000 0.942 467 V CB 0.740 32.166 31.823 -0.661 0.000 1.170 467 V HN 0.762 nan 8.190 nan 0.000 0.487 468 S N 3.236 118.870 115.700 -0.110 0.000 2.542 468 S HA 0.740 5.217 4.470 0.012 0.000 0.276 468 S C -0.066 174.603 174.600 0.115 0.000 1.148 468 S CA 0.597 58.830 58.200 0.056 0.000 0.886 468 S CB 1.542 64.749 63.200 0.013 0.000 1.109 468 S HN 1.799 nan 8.310 nan 0.000 0.458 469 G N 3.561 112.461 108.800 0.166 0.000 2.598 469 G HA2 -0.148 3.819 3.960 0.012 0.000 0.244 469 G HA3 -0.148 3.819 3.960 0.012 0.000 0.244 469 G C -1.265 173.704 174.900 0.116 0.000 1.302 469 G CA 0.067 45.245 45.100 0.130 0.000 0.903 469 G HN 0.828 nan 8.290 nan 0.000 0.575 470 D N 1.376 121.821 120.400 0.075 0.000 2.383 470 D HA 0.574 5.221 4.640 0.012 0.000 0.252 470 D C 0.983 177.233 176.300 -0.082 0.000 1.166 470 D CA 0.773 54.749 54.000 -0.041 0.000 0.879 470 D CB 0.678 41.576 40.800 0.163 0.000 1.164 470 D HN 0.531 nan 8.370 nan 0.000 0.462 471 M N 0.438 119.902 119.600 -0.227 0.000 2.846 471 M HA 0.442 4.929 4.480 0.012 0.000 0.282 471 M C -0.091 176.113 176.300 -0.160 0.000 1.266 471 M CA -0.875 54.377 55.300 -0.081 0.000 0.766 471 M CB 2.269 34.929 32.600 0.100 0.000 1.739 471 M HN 0.251 nan 8.290 nan 0.000 0.442 472 T N -1.573 112.962 114.554 -0.033 0.000 2.906 472 T HA 0.655 5.012 4.350 0.012 0.000 0.295 472 T C -0.560 174.165 174.700 0.041 0.000 1.075 472 T CA -0.881 61.205 62.100 -0.023 0.000 1.005 472 T CB 1.403 70.277 68.868 0.009 0.000 1.136 472 T HN 0.365 nan 8.240 nan 0.000 0.498 473 V N 2.354 122.264 119.914 -0.006 0.000 2.529 473 V HA 0.410 4.537 4.120 0.012 0.000 0.292 473 V C 1.491 177.650 176.094 0.109 0.000 1.028 473 V CA 0.496 62.816 62.300 0.033 0.000 1.074 473 V CB 0.103 31.830 31.823 -0.159 0.000 0.958 473 V HN 1.211 nan 8.190 nan 0.000 0.481 474 A N 4.529 127.462 122.820 0.189 0.000 1.911 474 A HA 0.255 4.582 4.320 0.012 0.000 0.212 474 A C 1.103 178.800 177.584 0.188 0.000 1.189 474 A CA 1.163 53.321 52.037 0.200 0.000 0.639 474 A CB 0.119 19.297 19.000 0.298 0.000 0.839 474 A HN 0.892 nan 8.150 nan 0.000 0.449 475 T N -3.578 111.092 114.554 0.194 0.000 2.894 475 T HA 0.521 4.878 4.350 0.012 0.000 0.309 475 T C -1.052 173.764 174.700 0.193 0.000 1.208 475 T CA -0.063 62.123 62.100 0.144 0.000 1.016 475 T CB 1.274 70.178 68.868 0.060 0.000 1.192 475 T HN 1.055 nan 8.240 nan 0.000 0.491 476 V N 3.504 123.532 119.914 0.189 0.000 2.448 476 V HA 0.586 4.713 4.120 0.012 0.000 0.295 476 V C 0.436 176.648 176.094 0.197 0.000 1.025 476 V CA -0.793 61.658 62.300 0.252 0.000 0.859 476 V CB 0.715 32.744 31.823 0.344 0.000 0.988 476 V HN 1.002 nan 8.190 nan 0.000 0.431 477 I N 4.049 124.736 120.570 0.195 0.000 2.296 477 I HA 0.185 4.362 4.170 0.012 0.000 0.242 477 I C 0.733 176.940 176.117 0.149 0.000 1.087 477 I CA 1.308 62.689 61.300 0.135 0.000 1.393 477 I CB 0.097 38.161 38.000 0.107 0.000 1.093 477 I HN 0.969 nan 8.210 nan 0.000 0.421 478 D N -1.269 119.252 120.400 0.201 0.000 2.838 478 D HA 0.054 4.701 4.640 0.012 0.000 0.334 478 D C 0.320 176.736 176.300 0.192 0.000 1.315 478 D CA -0.731 53.370 54.000 0.167 0.000 0.917 478 D CB 0.277 41.146 40.800 0.115 0.000 1.435 478 D HN 0.003 nan 8.370 nan 0.000 0.517 479 K N -1.024 119.409 120.400 0.054 0.000 2.362 479 K HA -0.038 4.289 4.320 0.012 0.000 0.200 479 K C -0.174 176.294 176.600 -0.221 0.000 1.046 479 K CA 1.271 57.469 56.287 -0.148 0.000 0.952 479 K CB -0.169 32.230 32.500 -0.169 0.000 0.753 479 K HN 0.218 nan 8.250 nan 0.000 0.466 480 D N -0.069 120.363 120.400 0.053 0.000 2.433 480 D HA 0.107 4.754 4.640 0.012 0.000 0.211 480 D C -0.720 175.711 176.300 0.217 0.000 1.114 480 D CA 0.057 54.104 54.000 0.079 0.000 0.837 480 D CB 0.373 41.192 40.800 0.031 0.000 0.984 480 D HN 0.243 nan 8.370 nan 0.000 0.505 481 N N -0.033 118.895 118.700 0.380 0.000 2.287 481 N HA 0.470 5.217 4.740 0.012 0.000 0.289 481 N C -1.125 174.538 175.510 0.257 0.000 1.066 481 N CA -0.799 52.385 53.050 0.224 0.000 0.841 481 N CB 2.101 40.686 38.487 0.164 0.000 1.599 481 N HN -0.094 nan 8.380 nan 0.000 0.476 482 F N -1.565 118.373 119.950 -0.021 0.000 2.692 482 F HA 0.861 5.395 4.527 0.012 0.000 0.320 482 F C -0.472 175.333 175.800 0.009 0.000 1.123 482 F CA -0.967 57.004 58.000 -0.049 0.000 0.961 482 F CB 1.174 40.038 39.000 -0.227 0.000 1.383 482 F HN 0.336 nan 8.300 nan 0.000 0.483 483 T N -0.198 114.507 114.554 0.251 0.000 2.924 483 T HA 0.780 5.137 4.350 0.012 0.000 0.291 483 T C -0.785 174.101 174.700 0.309 0.000 1.045 483 T CA -0.424 61.768 62.100 0.153 0.000 1.015 483 T CB 1.506 70.472 68.868 0.163 0.000 1.103 483 T HN 1.461 nan 8.240 nan 0.000 0.496 484 V N -0.008 120.009 119.914 0.172 0.000 2.815 484 V HA 0.837 4.964 4.120 0.012 0.000 0.314 484 V C -0.761 175.348 176.094 0.025 0.000 1.064 484 V CA -1.310 61.069 62.300 0.130 0.000 0.952 484 V CB 1.447 33.295 31.823 0.041 0.000 1.020 484 V HN 0.929 nan 8.190 nan 0.000 0.439 485 L N 4.218 125.398 121.223 -0.071 0.000 2.262 485 L HA 0.661 5.008 4.340 0.012 0.000 0.288 485 L C 0.613 177.335 176.870 -0.246 0.000 1.035 485 L CA 0.498 55.137 54.840 -0.335 0.000 0.820 485 L CB 0.858 42.675 42.059 -0.402 0.000 1.204 485 L HN 1.173 nan 8.230 nan 0.000 0.424 486 T N 2.334 116.736 114.554 -0.254 0.000 2.849 486 T HA 0.465 4.822 4.350 0.012 0.000 0.284 486 T C -1.806 172.792 174.700 -0.170 0.000 1.004 486 T CA -1.415 60.571 62.100 -0.190 0.000 1.021 486 T CB 0.963 69.724 68.868 -0.179 0.000 1.013 486 T HN 0.539 nan 8.240 nan 0.000 0.527 487 P HA 0.125 nan 4.420 nan 0.000 0.233 487 P C 0.038 177.284 177.300 -0.090 0.000 1.167 487 P CA 0.380 63.422 63.100 -0.098 0.000 0.770 487 P CB -0.007 31.651 31.700 -0.071 0.000 0.837 488 N N -0.708 117.934 118.700 -0.096 0.000 2.732 488 N HA 0.277 5.024 4.740 0.012 0.000 0.259 488 N C -1.201 174.263 175.510 -0.076 0.000 1.402 488 N CA -0.803 52.201 53.050 -0.076 0.000 0.829 488 N CB 1.711 40.160 38.487 -0.063 0.000 1.495 488 N HN -0.076 nan 8.380 nan 0.000 0.511 489 Q N -0.255 119.511 119.800 -0.057 0.000 2.451 489 Q HA 0.491 4.838 4.340 0.012 0.000 0.281 489 Q C -1.380 174.596 176.000 -0.040 0.000 1.099 489 Q CA -0.823 54.952 55.803 -0.048 0.000 0.806 489 Q CB 2.618 31.335 28.738 -0.036 0.000 1.419 489 Q HN 0.582 nan 8.270 nan 0.000 0.427 490 Q N 0.041 119.819 119.800 -0.038 0.000 2.416 490 Q HA 0.315 4.662 4.340 0.012 0.000 0.279 490 Q C 0.230 176.214 176.000 -0.026 0.000 1.101 490 Q CA -0.171 55.612 55.803 -0.033 0.000 0.830 490 Q CB 2.372 31.087 28.738 -0.039 0.000 1.402 490 Q HN 0.933 nan 8.270 nan 0.000 0.445 491 T N -3.207 111.333 114.554 -0.023 0.000 3.067 491 T HA 0.030 4.387 4.350 0.012 0.000 0.261 491 T C 0.770 175.458 174.700 -0.019 0.000 1.110 491 T CA 0.463 62.551 62.100 -0.019 0.000 1.113 491 T CB 0.048 68.906 68.868 -0.016 0.000 0.917 491 T HN 0.432 nan 8.240 nan 0.000 0.499 492 S N 0.860 116.546 115.700 -0.023 0.000 2.578 492 S HA 0.553 5.030 4.470 0.012 0.000 0.301 492 S C -1.095 173.487 174.600 -0.029 0.000 1.091 492 S CA -1.080 57.106 58.200 -0.024 0.000 1.032 492 S CB 1.484 64.670 63.200 -0.023 0.000 1.064 492 S HN 0.185 nan 8.310 nan 0.000 0.508 493 D N 1.283 121.666 120.400 -0.028 0.000 2.372 493 D HA 0.389 5.036 4.640 0.012 0.000 0.243 493 D C -0.247 176.028 176.300 -0.042 0.000 1.121 493 D CA 0.074 54.053 54.000 -0.035 0.000 0.898 493 D CB 0.640 41.421 40.800 -0.031 0.000 1.202 493 D HN 0.465 nan 8.370 nan 0.000 0.428 494 L N 1.907 123.097 121.223 -0.055 0.000 2.342 494 L HA 0.474 4.821 4.340 0.012 0.000 0.271 494 L C 0.081 176.906 176.870 -0.075 0.000 1.008 494 L CA -0.872 53.928 54.840 -0.067 0.000 0.818 494 L CB 1.530 43.538 42.059 -0.085 0.000 1.296 494 L HN 0.232 nan 8.230 nan 0.000 0.427 495 N N 1.375 120.032 118.700 -0.073 0.000 2.616 495 N HA 0.068 4.815 4.740 0.012 0.000 0.281 495 N C -0.769 174.701 175.510 -0.066 0.000 1.145 495 N CA -0.510 52.497 53.050 -0.072 0.000 0.919 495 N CB 1.047 39.504 38.487 -0.050 0.000 1.509 495 N HN 0.636 nan 8.380 nan 0.000 0.537 496 N N 2.292 120.937 118.700 -0.092 0.000 2.416 496 N HA 0.089 4.836 4.740 0.012 0.000 0.215 496 N C -0.019 175.488 175.510 -0.004 0.000 1.208 496 N CA -0.260 52.747 53.050 -0.072 0.000 0.834 496 N CB -0.278 38.115 38.487 -0.156 0.000 1.072 496 N HN 0.521 nan 8.380 nan 0.000 0.472 497 A N -0.301 122.520 122.820 0.001 0.000 2.584 497 A HA 0.420 4.747 4.320 0.012 0.000 0.239 497 A C 1.602 179.211 177.584 0.042 0.000 1.043 497 A CA 0.570 52.623 52.037 0.028 0.000 0.756 497 A CB -0.826 18.180 19.000 0.008 0.000 0.963 497 A HN 1.021 nan 8.150 nan 0.000 0.511 498 G N 0.897 109.735 108.800 0.063 0.000 2.205 498 G HA2 -0.243 3.724 3.960 0.012 0.000 0.261 498 G HA3 -0.243 3.724 3.960 0.012 0.000 0.261 498 G C 0.352 175.298 174.900 0.077 0.000 0.980 498 G CA 0.906 46.042 45.100 0.059 0.000 0.632 498 G HN 1.029 nan 8.290 nan 0.000 0.533 499 K N 1.551 122.016 120.400 0.110 0.000 2.172 499 K HA 0.508 4.835 4.320 0.012 0.000 0.276 499 K C 0.046 176.780 176.600 0.222 0.000 1.013 499 K CA -0.816 55.552 56.287 0.136 0.000 0.913 499 K CB 0.346 32.915 32.500 0.115 0.000 1.055 499 K HN 0.156 nan 8.250 nan 0.000 0.461 500 N N 4.910 123.696 118.700 0.144 0.000 2.458 500 N HA 0.259 5.006 4.740 0.012 0.000 0.270 500 N C -0.690 174.882 175.510 0.103 0.000 1.102 500 N CA -0.182 52.906 53.050 0.063 0.000 0.967 500 N CB 0.454 38.933 38.487 -0.014 0.000 1.078 500 N HN 0.580 nan 8.380 nan 0.000 0.471 501 W N 0.974 122.148 121.300 -0.210 0.000 3.039 501 W HA 0.474 5.138 4.660 0.007 0.000 0.354 501 W C -1.454 174.802 176.519 -0.438 0.000 1.206 501 W CA -0.653 56.558 57.345 -0.223 0.000 1.134 501 W CB 0.305 29.765 29.460 -0.001 0.000 1.493 501 W HN 0.375 nan 8.180 nan 0.000 0.591 502 H N 0.904 120.098 119.070 0.207 0.000 2.679 502 H HA 0.657 5.222 4.556 0.014 0.000 0.360 502 H C -0.558 174.802 175.328 0.054 0.000 1.105 502 H CA -0.752 55.271 56.048 -0.041 0.000 1.196 502 H CB 2.862 32.667 29.762 0.071 0.000 1.636 502 H HN 0.291 nan 8.280 nan 0.000 0.531 503 M N 1.463 121.002 119.600 -0.101 0.000 2.530 503 M HA 0.537 5.024 4.480 0.012 0.000 0.307 503 M C -0.180 176.041 176.300 -0.132 0.000 1.161 503 M CA -0.099 55.127 55.300 -0.122 0.000 0.903 503 M CB 1.997 34.522 32.600 -0.125 0.000 1.711 503 M HN 0.975 nan 8.290 nan 0.000 0.451 504 G N 0.858 109.614 108.800 -0.074 0.000 2.507 504 G HA2 -0.118 3.849 3.960 0.012 0.000 0.205 504 G HA3 -0.118 3.849 3.960 0.012 0.000 0.205 504 G C -0.241 174.683 174.900 0.040 0.000 0.996 504 G CA 0.073 45.124 45.100 -0.080 0.000 0.776 504 G HN 0.872 nan 8.290 nan 0.000 0.532 505 T N -1.752 112.858 114.554 0.094 0.000 2.952 505 T HA 0.776 5.133 4.350 0.012 0.000 0.286 505 T C -0.281 174.536 174.700 0.196 0.000 1.024 505 T CA -0.070 62.129 62.100 0.165 0.000 1.029 505 T CB 2.373 71.275 68.868 0.058 0.000 1.094 505 T HN 1.132 nan 8.240 nan 0.000 0.515 506 S N 0.840 116.639 115.700 0.165 0.000 2.720 506 S HA 0.351 4.828 4.470 0.012 0.000 0.278 506 S C 0.086 174.654 174.600 -0.054 0.000 1.172 506 S CA -0.851 57.345 58.200 -0.007 0.000 1.019 506 S CB 0.635 63.610 63.200 -0.374 0.000 1.049 506 S HN 0.740 nan 8.310 nan 0.000 0.483 507 F N 4.989 124.798 119.950 -0.235 0.000 2.095 507 F HA -0.126 4.407 4.527 0.011 0.000 0.298 507 F C 2.161 177.659 175.800 -0.502 0.000 1.104 507 F CA 2.043 59.788 58.000 -0.424 0.000 1.232 507 F CB -0.044 38.658 39.000 -0.497 0.000 0.987 507 F HN 0.815 nan 8.300 nan 0.000 0.475 508 H N -0.256 118.789 119.070 -0.043 0.000 2.428 508 H HA 0.012 4.575 4.556 0.011 0.000 0.296 508 H C 1.557 176.733 175.328 -0.253 0.000 1.062 508 H CA 1.077 57.037 56.048 -0.147 0.000 1.350 508 H CB -0.114 29.639 29.762 -0.015 0.000 1.403 508 H HN 0.240 nan 8.280 nan 0.000 0.533 509 K N 1.187 121.470 120.400 -0.196 0.000 2.404 509 K HA 0.178 4.505 4.320 0.012 0.000 0.194 509 K C 0.311 176.832 176.600 -0.131 0.000 1.023 509 K CA 0.051 56.208 56.287 -0.215 0.000 1.094 509 K CB 0.740 32.952 32.500 -0.480 0.000 0.841 509 K HN -0.007 nan 8.250 nan 0.000 0.523 510 S N 2.565 118.132 115.700 -0.222 0.000 2.509 510 S HA 0.402 4.879 4.470 0.012 0.000 0.297 510 S C -2.453 171.935 174.600 -0.353 0.000 1.118 510 S CA -1.245 56.828 58.200 -0.212 0.000 1.074 510 S CB 2.064 65.136 63.200 -0.214 0.000 1.038 510 S HN 0.054 nan 8.310 nan 0.000 0.498 511 P HA 0.205 nan 4.420 nan 0.000 0.276 511 P C -1.062 176.045 177.300 -0.321 0.000 1.244 511 P CA -0.676 62.267 63.100 -0.261 0.000 0.801 511 P CB 0.491 32.114 31.700 -0.128 0.000 1.006 512 W N 1.356 122.440 121.300 -0.360 0.000 2.210 512 W HA 0.233 4.901 4.660 0.013 0.000 0.330 512 W C 1.478 177.798 176.519 -0.332 0.000 1.334 512 W CA -0.171 56.930 57.345 -0.406 0.000 1.227 512 W CB 0.274 29.362 29.460 -0.620 0.000 1.178 512 W HN 0.256 nan 8.180 nan 0.000 0.560 513 R N 3.795 124.308 120.500 0.020 0.000 2.234 513 R HA 0.214 4.561 4.340 0.012 0.000 0.324 513 R C -0.628 175.620 176.300 -0.088 0.000 1.054 513 R CA -0.303 55.779 56.100 -0.030 0.000 0.912 513 R CB 0.318 30.632 30.300 0.022 0.000 1.030 513 R HN 0.430 nan 8.270 nan 0.000 0.455 514 K N 2.995 123.288 120.400 -0.177 0.000 2.307 514 K HA 0.245 4.572 4.320 0.012 0.000 0.263 514 K C -1.091 175.490 176.600 -0.032 0.000 0.973 514 K CA -0.557 55.604 56.287 -0.210 0.000 0.846 514 K CB 2.315 34.536 32.500 -0.464 0.000 1.100 514 K HN 0.451 nan 8.250 nan 0.000 0.438 515 T N 1.969 116.573 114.554 0.083 0.000 2.893 515 T HA 0.061 4.418 4.350 0.012 0.000 0.324 515 T C -0.775 174.009 174.700 0.139 0.000 1.082 515 T CA -0.632 61.528 62.100 0.100 0.000 0.983 515 T CB 0.519 69.463 68.868 0.127 0.000 1.005 515 T HN 0.391 nan 8.240 nan 0.000 0.475 516 D N 3.032 123.495 120.400 0.105 0.000 2.382 516 D HA 0.082 4.729 4.640 0.012 0.000 0.259 516 D C 0.760 177.122 176.300 0.103 0.000 1.224 516 D CA -0.160 53.905 54.000 0.109 0.000 0.894 516 D CB 0.693 41.541 40.800 0.080 0.000 1.127 516 D HN 0.464 nan 8.370 nan 0.000 0.487 517 L N 3.059 124.347 121.223 0.108 0.000 2.607 517 L HA 0.286 4.633 4.340 0.012 0.000 0.228 517 L C 1.543 178.452 176.870 0.065 0.000 1.123 517 L CA 0.079 54.985 54.840 0.109 0.000 0.890 517 L CB -0.538 41.593 42.059 0.120 0.000 1.103 517 L HN 0.654 nan 8.230 nan 0.000 0.468 518 G N 1.200 110.031 108.800 0.052 0.000 2.698 518 G HA2 -0.301 3.666 3.960 0.012 0.000 0.233 518 G HA3 -0.301 3.666 3.960 0.012 0.000 0.233 518 G C -0.740 174.168 174.900 0.015 0.000 1.352 518 G CA -0.412 44.708 45.100 0.033 0.000 0.879 518 G HN 0.016 nan 8.290 nan 0.000 0.567 519 L N 1.123 122.349 121.223 0.006 0.000 2.385 519 L HA 0.553 4.900 4.340 0.012 0.000 0.285 519 L C 0.945 177.807 176.870 -0.013 0.000 1.125 519 L CA -0.498 54.337 54.840 -0.007 0.000 0.890 519 L CB -0.392 41.662 42.059 -0.007 0.000 1.251 519 L HN 0.433 nan 8.230 nan 0.000 0.445 520 I N 7.485 128.031 120.570 -0.040 0.000 2.668 520 I HA 0.043 4.220 4.170 0.012 0.000 0.285 520 I C -1.616 174.489 176.117 -0.020 0.000 1.168 520 I CA -1.361 59.898 61.300 -0.068 0.000 1.424 520 I CB 0.064 37.918 38.000 -0.243 0.000 1.377 520 I HN 0.508 nan 8.210 nan 0.000 0.560 521 P HA -0.032 nan 4.420 nan 0.000 0.266 521 P C 0.160 177.500 177.300 0.067 0.000 1.195 521 P CA 0.181 63.303 63.100 0.037 0.000 0.768 521 P CB 0.622 32.350 31.700 0.046 0.000 0.838 522 S N -0.083 115.662 115.700 0.076 0.000 3.711 522 S HA -0.082 4.395 4.470 0.012 0.000 0.374 522 S C -0.302 174.404 174.600 0.176 0.000 0.969 522 S CA 0.465 58.736 58.200 0.119 0.000 1.198 522 S CB -1.131 62.154 63.200 0.142 0.000 0.903 522 S HN 0.305 nan 8.310 nan 0.000 0.493 523 V N 1.099 121.087 119.914 0.123 0.000 2.623 523 V HA 0.401 4.529 4.120 0.012 0.000 0.304 523 V C 0.936 177.051 176.094 0.036 0.000 1.054 523 V CA -0.337 62.056 62.300 0.154 0.000 0.882 523 V CB 2.129 34.035 31.823 0.137 0.000 1.002 523 V HN 0.449 nan 8.190 nan 0.000 0.424 524 T N 2.572 117.084 114.554 -0.070 0.000 2.988 524 T HA 0.237 4.594 4.350 0.012 0.000 0.240 524 T C 0.260 174.872 174.700 -0.148 0.000 1.014 524 T CA 0.642 62.639 62.100 -0.173 0.000 1.155 524 T CB 0.248 68.911 68.868 -0.341 0.000 0.872 524 T HN 0.677 nan 8.240 nan 0.000 0.440 525 E N 0.342 120.439 120.200 -0.171 0.000 2.343 525 E HA 0.520 4.877 4.350 0.012 0.000 0.278 525 E C -1.688 175.036 176.600 0.207 0.000 0.910 525 E CA -0.504 55.920 56.400 0.040 0.000 0.757 525 E CB 3.116 32.887 29.700 0.118 0.000 1.218 525 E HN -0.078 nan 8.360 nan 0.000 0.435 526 V N 2.200 122.275 119.914 0.270 0.000 2.427 526 V HA 0.409 4.537 4.120 0.012 0.000 0.286 526 V C -0.676 175.648 176.094 0.383 0.000 1.034 526 V CA -0.424 62.093 62.300 0.362 0.000 0.893 526 V CB 1.144 33.153 31.823 0.311 0.000 0.982 526 V HN 0.690 nan 8.190 nan 0.000 0.452 527 H N 2.758 122.004 119.070 0.293 0.000 3.087 527 H HA 0.569 5.133 4.556 0.012 0.000 0.348 527 H C -0.559 174.940 175.328 0.285 0.000 1.092 527 H CA 0.657 56.867 56.048 0.271 0.000 1.285 527 H CB 1.536 31.465 29.762 0.278 0.000 1.875 527 H HN 0.892 nan 8.280 nan 0.000 0.512 528 S N 2.822 118.443 115.700 -0.132 0.000 3.327 528 S HA -0.135 4.342 4.470 0.012 0.000 0.844 528 S C -1.535 173.218 174.600 0.255 0.000 1.110 528 S CA 0.235 58.459 58.200 0.039 0.000 1.105 528 S CB -0.576 62.707 63.200 0.138 0.000 0.752 528 S HN 0.737 nan 8.310 nan 0.000 0.279 529 F N 2.304 122.306 119.950 0.087 0.000 2.574 529 F HA 0.679 5.213 4.527 0.011 0.000 0.313 529 F C -0.430 175.433 175.800 0.105 0.000 1.130 529 F CA 0.432 58.479 58.000 0.079 0.000 0.936 529 F CB 1.647 40.632 39.000 -0.026 0.000 1.219 529 F HN 0.929 nan 8.300 nan 0.000 0.445 530 A N 3.997 126.734 122.820 -0.137 0.000 2.410 530 A HA 0.559 4.886 4.320 0.012 0.000 0.289 530 A C -0.681 176.839 177.584 -0.106 0.000 1.200 530 A CA -0.586 51.460 52.037 0.015 0.000 0.751 530 A CB 0.576 19.643 19.000 0.112 0.000 1.161 530 A HN 0.645 nan 8.150 nan 0.000 0.459 531 T N 3.692 118.296 114.554 0.085 0.000 2.853 531 T HA 0.162 4.519 4.350 0.012 0.000 0.298 531 T C 1.347 176.086 174.700 0.065 0.000 0.978 531 T CA 0.047 62.238 62.100 0.152 0.000 1.152 531 T CB 0.214 69.249 68.868 0.279 0.000 0.914 531 T HN 0.449 nan 8.240 nan 0.000 0.539 532 I N 2.086 122.643 120.570 -0.022 0.000 2.685 532 I HA 0.167 4.344 4.170 0.012 0.000 0.251 532 I C 1.044 177.135 176.117 -0.045 0.000 1.102 532 I CA 0.905 62.029 61.300 -0.294 0.000 1.442 532 I CB -0.543 37.206 38.000 -0.418 0.000 1.194 532 I HN 0.726 nan 8.210 nan 0.000 0.448 533 D N -2.058 118.378 120.400 0.059 0.000 3.309 533 D HA 0.035 4.682 4.640 0.012 0.000 0.335 533 D C 0.356 176.729 176.300 0.122 0.000 1.393 533 D CA -0.527 53.535 54.000 0.104 0.000 0.963 533 D CB 0.093 40.943 40.800 0.084 0.000 1.431 533 D HN -0.244 nan 8.370 nan 0.000 0.583 534 N N -1.313 117.440 118.700 0.088 0.000 2.512 534 N HA 0.008 4.755 4.740 0.012 0.000 0.183 534 N C 0.312 175.845 175.510 0.037 0.000 1.073 534 N CA 0.875 53.955 53.050 0.049 0.000 0.911 534 N CB -0.050 38.437 38.487 0.001 0.000 0.964 534 N HN 0.283 nan 8.380 nan 0.000 0.447 535 N N -1.349 117.408 118.700 0.094 0.000 2.332 535 N HA 0.224 4.971 4.740 0.012 0.000 0.190 535 N C 0.426 176.052 175.510 0.193 0.000 1.117 535 N CA 0.532 53.664 53.050 0.136 0.000 0.883 535 N CB 1.373 39.904 38.487 0.074 0.000 1.089 535 N HN 0.180 nan 8.380 nan 0.000 0.480 536 G N 0.096 108.973 108.800 0.128 0.000 2.488 536 G HA2 0.516 4.483 3.960 0.012 0.000 0.301 536 G HA3 0.516 4.483 3.960 0.012 0.000 0.301 536 G C -1.959 172.956 174.900 0.026 0.000 1.339 536 G CA -0.734 44.321 45.100 -0.074 0.000 0.803 536 G HN 0.065 nan 8.290 nan 0.000 0.482 537 F N -2.415 117.534 119.950 -0.001 0.000 2.817 537 F HA 0.921 5.454 4.527 0.011 0.000 0.317 537 F C -0.363 175.443 175.800 0.010 0.000 1.168 537 F CA -1.352 56.539 58.000 -0.180 0.000 0.911 537 F CB 1.131 39.734 39.000 -0.662 0.000 1.337 537 F HN 1.175 nan 8.300 nan 0.000 0.464 538 A N 1.542 124.461 122.820 0.164 0.000 2.380 538 A HA 0.923 5.250 4.320 0.012 0.000 0.315 538 A C -1.266 176.443 177.584 0.208 0.000 1.101 538 A CA -0.936 51.265 52.037 0.274 0.000 0.771 538 A CB 1.657 20.759 19.000 0.170 0.000 1.287 538 A HN 0.811 nan 8.150 nan 0.000 0.436 539 M N 1.414 121.242 119.600 0.381 0.000 2.393 539 M HA 0.465 4.952 4.480 0.012 0.000 0.299 539 M C 0.454 176.987 176.300 0.388 0.000 1.103 539 M CA -0.441 55.080 55.300 0.368 0.000 0.910 539 M CB 2.345 35.230 32.600 0.475 0.000 1.659 539 M HN 0.888 nan 8.290 nan 0.000 0.445 540 G N 1.637 110.651 108.800 0.357 0.000 2.572 540 G HA2 0.536 4.503 3.960 0.012 0.000 0.261 540 G HA3 0.536 4.503 3.960 0.012 0.000 0.261 540 G C -1.483 173.667 174.900 0.417 0.000 1.197 540 G CA -0.012 45.295 45.100 0.346 0.000 0.870 540 G HN 0.793 nan 8.290 nan 0.000 0.548 541 Y N -0.890 119.482 120.300 0.120 0.000 2.656 541 Y HA 0.698 5.255 4.550 0.012 0.000 0.334 541 Y C -0.909 175.069 175.900 0.130 0.000 1.179 541 Y CA -1.518 56.655 58.100 0.122 0.000 1.050 541 Y CB 1.037 39.515 38.460 0.031 0.000 1.308 541 Y HN 1.061 nan 8.280 nan 0.000 0.456 542 H N -0.075 118.945 119.070 -0.084 0.000 3.016 542 H HA 0.586 5.149 4.556 0.012 0.000 0.362 542 H C -1.866 173.509 175.328 0.079 0.000 1.233 542 H CA -1.011 54.903 56.048 -0.224 0.000 1.124 542 H CB 2.149 31.824 29.762 -0.146 0.000 1.850 542 H HN 0.767 nan 8.280 nan 0.000 0.549 543 Q N 1.563 121.382 119.800 0.032 0.000 2.333 543 Q HA 0.439 4.787 4.340 0.012 0.000 0.268 543 Q C -0.572 175.519 176.000 0.151 0.000 1.007 543 Q CA -0.248 55.583 55.803 0.046 0.000 0.810 543 Q CB 1.701 30.524 28.738 0.142 0.000 1.264 543 Q HN 1.122 nan 8.270 nan 0.000 0.452 544 G N 3.271 112.158 108.800 0.145 0.000 4.008 544 G HA2 0.067 4.034 3.960 0.012 0.000 0.278 544 G HA3 0.067 4.034 3.960 0.012 0.000 0.278 544 G C 0.221 175.183 174.900 0.103 0.000 1.021 544 G CA -0.125 45.090 45.100 0.192 0.000 0.833 544 G HN 0.579 nan 8.290 nan 0.000 0.454 545 D N 0.371 120.810 120.400 0.063 0.000 2.216 545 D HA 0.054 4.701 4.640 0.012 0.000 0.208 545 D C 1.239 177.560 176.300 0.034 0.000 0.960 545 D CA 1.116 55.139 54.000 0.039 0.000 0.861 545 D CB 1.006 41.818 40.800 0.019 0.000 0.985 545 D HN 0.365 nan 8.370 nan 0.000 0.493 546 V N -2.333 117.604 119.914 0.038 0.000 3.007 546 V HA 0.794 4.921 4.120 0.012 0.000 0.311 546 V C -0.582 175.534 176.094 0.036 0.000 1.120 546 V CA -1.447 60.872 62.300 0.032 0.000 0.980 546 V CB 1.696 33.535 31.823 0.027 0.000 1.033 546 V HN 0.020 nan 8.190 nan 0.000 0.429 547 A N 3.819 126.656 122.820 0.028 0.000 2.371 547 A HA 0.801 5.128 4.320 0.012 0.000 0.257 547 A C -1.557 176.043 177.584 0.028 0.000 1.089 547 A CA -0.917 51.136 52.037 0.026 0.000 0.794 547 A CB -0.475 18.536 19.000 0.017 0.000 1.029 547 A HN 0.969 nan 8.150 nan 0.000 0.488 548 P HA 0.359 nan 4.420 nan 0.000 0.281 548 P C -0.491 176.832 177.300 0.039 0.000 1.249 548 P CA -0.593 62.524 63.100 0.028 0.000 0.810 548 P CB 0.714 32.428 31.700 0.023 0.000 1.008 549 R N 0.934 121.455 120.500 0.034 0.000 2.694 549 R HA 0.189 4.536 4.340 0.012 0.000 0.268 549 R C 0.376 176.694 176.300 0.031 0.000 1.061 549 R CA 0.214 56.340 56.100 0.044 0.000 1.133 549 R CB 0.375 30.694 30.300 0.033 0.000 1.020 549 R HN 0.526 nan 8.270 nan 0.000 0.475 550 E N 0.985 121.204 120.200 0.032 0.000 2.238 550 E HA 0.429 4.786 4.350 0.012 0.000 0.267 550 E C -1.290 175.203 176.600 -0.179 0.000 0.887 550 E CA -0.836 55.550 56.400 -0.023 0.000 0.769 550 E CB 2.554 32.310 29.700 0.094 0.000 1.187 550 E HN 0.130 nan 8.360 nan 0.000 0.416 551 V N 1.324 121.067 119.914 -0.286 0.000 2.733 551 V HA 0.797 4.924 4.120 0.012 0.000 0.306 551 V C 0.188 175.988 176.094 -0.489 0.000 1.084 551 V CA -0.419 61.627 62.300 -0.424 0.000 0.905 551 V CB 1.648 33.325 31.823 -0.244 0.000 1.010 551 V HN 0.931 nan 8.190 nan 0.000 0.424 552 G N 3.439 111.851 108.800 -0.646 0.000 2.474 552 G HA2 0.679 4.646 3.960 0.012 0.000 0.234 552 G HA3 0.679 4.646 3.960 0.012 0.000 0.234 552 G C -1.898 172.966 174.900 -0.061 0.000 1.204 552 G CA 0.082 45.020 45.100 -0.270 0.000 0.939 552 G HN 1.259 nan 8.290 nan 0.000 0.491 553 L N -2.873 118.447 121.223 0.161 0.000 2.479 553 L HA 0.937 5.284 4.340 0.012 0.000 0.255 553 L C -1.623 175.208 176.870 -0.065 0.000 1.026 553 L CA -1.170 53.771 54.840 0.169 0.000 0.842 553 L CB 1.567 43.778 42.059 0.254 0.000 1.444 553 L HN 0.376 nan 8.230 nan 0.000 0.409 554 F N 1.396 121.514 119.950 0.281 0.000 2.444 554 F HA 0.531 5.065 4.527 0.011 0.000 0.342 554 F C -0.656 175.263 175.800 0.198 0.000 1.121 554 F CA -0.401 57.660 58.000 0.102 0.000 0.997 554 F CB 1.534 40.459 39.000 -0.125 0.000 1.130 554 F HN 0.486 nan 8.300 nan 0.000 0.454 555 Y N 4.419 124.795 120.300 0.126 0.000 2.335 555 Y HA 0.491 5.048 4.550 0.011 0.000 0.339 555 Y C -1.487 174.330 175.900 -0.138 0.000 0.987 555 Y CA -2.257 55.859 58.100 0.027 0.000 1.140 555 Y CB 0.446 38.900 38.460 -0.010 0.000 1.173 555 Y HN 0.449 nan 8.280 nan 0.000 0.486 556 F N 9.334 129.020 119.950 -0.440 0.000 2.303 556 F HA 0.350 4.884 4.527 0.012 0.000 0.368 556 F C -1.694 173.549 175.800 -0.929 0.000 1.105 556 F CA -1.974 55.624 58.000 -0.669 0.000 1.153 556 F CB 1.098 39.569 39.000 -0.881 0.000 1.362 556 F HN 0.469 nan 8.300 nan 0.000 0.511 557 P HA -0.128 nan 4.420 nan 0.000 0.219 557 P C 0.084 177.214 177.300 -0.283 0.000 1.150 557 P CA 1.297 63.913 63.100 -0.806 0.000 0.814 557 P CB 0.349 31.663 31.700 -0.644 0.000 0.787 558 D N -1.378 118.903 120.400 -0.197 0.000 2.468 558 D HA 0.331 4.978 4.640 0.012 0.000 0.272 558 D C 0.719 177.035 176.300 0.027 0.000 1.221 558 D CA -0.572 53.414 54.000 -0.024 0.000 0.860 558 D CB 0.321 41.127 40.800 0.011 0.000 1.190 558 D HN -0.153 nan 8.370 nan 0.000 0.509 559 A N 1.969 124.773 122.820 -0.025 0.000 2.121 559 A HA -0.033 4.294 4.320 0.012 0.000 0.218 559 A C 1.448 179.113 177.584 0.135 0.000 1.154 559 A CA 0.764 52.758 52.037 -0.070 0.000 0.679 559 A CB -0.407 18.277 19.000 -0.527 0.000 0.795 559 A HN 0.453 nan 8.150 nan 0.000 0.458 560 F N 0.030 120.134 119.950 0.256 0.000 2.118 560 F HA -0.026 4.509 4.527 0.013 0.000 0.293 560 F C 2.190 178.127 175.800 0.228 0.000 1.102 560 F CA 1.865 60.101 58.000 0.394 0.000 1.247 560 F CB -0.549 38.665 39.000 0.358 0.000 1.017 560 F HN 0.227 nan 8.300 nan 0.000 0.475 561 N N -1.314 117.572 118.700 0.310 0.000 2.333 561 N HA -0.030 4.717 4.740 0.012 0.000 0.178 561 N C -0.056 175.496 175.510 0.070 0.000 1.018 561 N CA 1.013 54.155 53.050 0.152 0.000 0.882 561 N CB 0.082 38.642 38.487 0.121 0.000 0.984 561 N HN -0.049 nan 8.380 nan 0.000 0.434 562 S N 0.452 116.196 115.700 0.072 0.000 2.235 562 S HA 0.195 4.672 4.470 0.012 0.000 0.152 562 S C -2.182 172.459 174.600 0.069 0.000 1.649 562 S CA -0.850 57.370 58.200 0.034 0.000 1.277 562 S CB 1.241 64.439 63.200 -0.004 0.000 1.299 562 S HN 0.178 nan 8.310 nan 0.000 0.388 563 P HA -0.063 nan 4.420 nan 0.000 0.226 563 P C 1.212 178.687 177.300 0.293 0.000 1.153 563 P CA 0.821 64.043 63.100 0.204 0.000 0.777 563 P CB -0.041 31.765 31.700 0.177 0.000 0.794 564 S N -2.330 113.465 115.700 0.159 0.000 2.593 564 S HA 0.078 4.555 4.470 0.012 0.000 0.217 564 S C 0.760 175.350 174.600 -0.016 0.000 0.966 564 S CA -0.376 57.907 58.200 0.137 0.000 0.914 564 S CB -0.835 62.394 63.200 0.049 0.000 0.776 564 S HN -0.025 nan 8.310 nan 0.000 0.523 565 N N 2.421 121.085 118.700 -0.060 0.000 2.426 565 N HA 0.509 5.256 4.740 0.012 0.000 0.257 565 N C -0.856 174.419 175.510 -0.393 0.000 1.002 565 N CA -0.482 52.406 53.050 -0.270 0.000 0.942 565 N CB 0.830 39.201 38.487 -0.194 0.000 1.112 565 N HN 0.641 nan 8.380 nan 0.000 0.499 566 Y N -1.345 118.655 120.300 -0.501 0.000 2.615 566 Y HA 0.777 5.334 4.550 0.011 0.000 0.341 566 Y C -1.126 174.551 175.900 -0.370 0.000 1.089 566 Y CA -1.412 56.242 58.100 -0.743 0.000 1.049 566 Y CB 1.060 38.663 38.460 -1.429 0.000 1.296 566 Y HN 0.115 nan 8.280 nan 0.000 0.470 567 V N 2.734 122.652 119.914 0.007 0.000 2.656 567 V HA 0.553 4.680 4.120 0.012 0.000 0.307 567 V C -0.871 175.409 176.094 0.309 0.000 1.051 567 V CA -0.936 61.438 62.300 0.123 0.000 0.893 567 V CB 1.706 33.564 31.823 0.057 0.000 0.999 567 V HN 0.966 nan 8.190 nan 0.000 0.426 568 R N 6.289 126.984 120.500 0.325 0.000 2.308 568 R HA 0.578 4.925 4.340 0.012 0.000 0.305 568 R C -0.892 175.522 176.300 0.189 0.000 1.053 568 R CA -0.569 55.698 56.100 0.278 0.000 0.957 568 R CB 0.696 31.187 30.300 0.318 0.000 1.022 568 R HN 0.713 nan 8.270 nan 0.000 0.461 569 R N 4.196 124.805 120.500 0.181 0.000 2.514 569 R HA 0.195 4.542 4.340 0.012 0.000 0.296 569 R C -0.933 175.525 176.300 0.264 0.000 1.012 569 R CA -0.773 55.463 56.100 0.227 0.000 0.897 569 R CB 2.316 32.753 30.300 0.229 0.000 1.184 569 R HN 0.699 nan 8.270 nan 0.000 0.440 570 Q N 2.176 122.117 119.800 0.234 0.000 2.214 570 Q HA 0.462 4.809 4.340 0.012 0.000 0.251 570 Q C 0.750 176.794 176.000 0.073 0.000 0.936 570 Q CA -0.729 55.143 55.803 0.115 0.000 0.894 570 Q CB 2.120 30.908 28.738 0.083 0.000 1.252 570 Q HN 0.573 nan 8.270 nan 0.000 0.448 571 I N -1.524 118.868 120.570 -0.296 0.000 3.138 571 I HA 0.343 4.520 4.170 0.012 0.000 0.288 571 I C -2.209 173.741 176.117 -0.279 0.000 1.148 571 I CA -2.312 58.538 61.300 -0.749 0.000 1.315 571 I CB -0.020 37.289 38.000 -1.151 0.000 1.426 571 I HN 0.327 nan 8.210 nan 0.000 0.615 572 P HA 0.006 nan 4.420 nan 0.000 0.265 572 P C 0.511 177.861 177.300 0.083 0.000 1.193 572 P CA 0.085 63.243 63.100 0.097 0.000 0.765 572 P CB 0.777 32.652 31.700 0.292 0.000 0.823 573 S N 2.536 118.266 115.700 0.051 0.000 2.419 573 S HA -0.234 4.243 4.470 0.012 0.000 0.233 573 S C 1.569 176.153 174.600 -0.028 0.000 1.016 573 S CA 1.253 59.460 58.200 0.012 0.000 0.974 573 S CB -0.933 62.276 63.200 0.014 0.000 0.786 573 S HN 0.681 nan 8.310 nan 0.000 0.492 574 E N 0.188 120.341 120.200 -0.078 0.000 2.333 574 E HA -0.179 4.178 4.350 0.012 0.000 0.198 574 E C 0.942 177.332 176.600 -0.351 0.000 1.007 574 E CA 0.923 57.175 56.400 -0.247 0.000 0.845 574 E CB -0.437 29.047 29.700 -0.360 0.000 0.766 574 E HN 0.771 nan 8.360 nan 0.000 0.507 575 Y N 0.642 120.938 120.300 -0.006 0.000 2.458 575 Y HA 0.266 4.823 4.550 0.012 0.000 0.256 575 Y C 1.449 177.324 175.900 -0.043 0.000 1.159 575 Y CA -0.027 58.077 58.100 0.007 0.000 1.261 575 Y CB 0.581 39.104 38.460 0.104 0.000 1.119 575 Y HN 0.064 nan 8.280 nan 0.000 0.524 576 E N 0.375 120.598 120.200 0.038 0.000 2.170 576 E HA 0.004 4.361 4.350 0.012 0.000 0.191 576 E C -1.798 174.794 176.600 -0.013 0.000 0.981 576 E CA -0.302 56.091 56.400 -0.012 0.000 0.830 576 E CB -0.873 28.808 29.700 -0.032 0.000 0.775 576 E HN 0.229 nan 8.360 nan 0.000 0.470 577 P HA -0.049 nan 4.420 nan 0.000 0.266 577 P C -0.787 176.501 177.300 -0.020 0.000 1.195 577 P CA 0.650 63.738 63.100 -0.020 0.000 0.768 577 P CB 0.289 31.970 31.700 -0.032 0.000 0.838 578 D N -1.007 119.380 120.400 -0.021 0.000 2.751 578 D HA -0.186 4.461 4.640 0.012 0.000 0.233 578 D C -0.100 176.178 176.300 -0.038 0.000 1.149 578 D CA 1.315 55.298 54.000 -0.027 0.000 0.682 578 D CB -1.371 39.409 40.800 -0.034 0.000 1.068 578 D HN 0.519 nan 8.370 nan 0.000 0.429 579 A N -0.106 122.682 122.820 -0.053 0.000 2.454 579 A HA 0.814 5.141 4.320 0.012 0.000 0.302 579 A C 0.094 177.567 177.584 -0.186 0.000 1.079 579 A CA 0.297 52.285 52.037 -0.082 0.000 0.731 579 A CB 2.392 21.371 19.000 -0.034 0.000 1.299 579 A HN 0.486 nan 8.150 nan 0.000 0.413 580 S N 0.246 115.785 115.700 -0.269 0.000 2.661 580 S HA 0.592 5.069 4.470 0.012 0.000 0.268 580 S C -0.772 173.601 174.600 -0.379 0.000 1.162 580 S CA -0.234 57.605 58.200 -0.603 0.000 0.817 580 S CB 0.357 63.003 63.200 -0.924 0.000 1.141 580 S HN 1.094 nan 8.310 nan 0.000 0.477 581 E N 1.024 120.997 120.200 -0.377 0.000 2.202 581 E HA -0.126 4.231 4.350 0.012 0.000 0.169 581 E C -2.409 174.066 176.600 -0.208 0.000 1.536 581 E CA 0.628 56.781 56.400 -0.412 0.000 0.664 581 E CB -1.359 27.955 29.700 -0.642 0.000 1.064 581 E HN 0.532 nan 8.360 nan 0.000 0.327 582 P HA 0.033 nan 4.420 nan 0.000 0.276 582 P C -0.084 177.513 177.300 0.494 0.000 1.230 582 P CA -0.277 62.961 63.100 0.231 0.000 0.776 582 P CB 0.854 32.642 31.700 0.146 0.000 0.888 583 C N 5.056 124.658 119.300 0.504 0.000 2.369 583 C HA 0.616 5.083 4.460 0.012 0.000 0.358 583 C C 0.918 176.276 174.990 0.613 0.000 1.274 583 C CA -0.207 59.144 59.018 0.555 0.000 1.935 583 C CB -1.007 27.105 27.740 0.619 0.000 2.431 583 C HN 0.499 nan 8.230 nan 0.000 0.545 584 I N 0.921 121.769 120.570 0.463 0.000 2.545 584 I HA 0.873 5.050 4.170 0.012 0.000 0.292 584 I C -0.799 175.511 176.117 0.322 0.000 1.040 584 I CA -0.631 60.958 61.300 0.482 0.000 1.068 584 I CB 1.691 39.927 38.000 0.393 0.000 1.251 584 I HN 0.381 nan 8.210 nan 0.000 0.424 585 K N 3.547 124.207 120.400 0.433 0.000 2.532 585 K HA 0.536 4.863 4.320 0.012 0.000 0.265 585 K C -2.105 174.759 176.600 0.439 0.000 0.948 585 K CA -0.663 55.787 56.287 0.270 0.000 0.842 585 K CB 2.319 34.863 32.500 0.073 0.000 1.392 585 K HN 0.609 nan 8.250 nan 0.000 0.436 586 Y N 2.040 122.343 120.300 0.005 0.000 2.331 586 Y HA 0.539 5.096 4.550 0.011 0.000 0.334 586 Y C -1.755 174.064 175.900 -0.135 0.000 0.960 586 Y CA -0.496 57.620 58.100 0.027 0.000 1.130 586 Y CB 0.961 39.411 38.460 -0.017 0.000 1.164 586 Y HN 0.557 nan 8.280 nan 0.000 0.458 587 Y N 4.083 124.321 120.300 -0.104 0.000 2.396 587 Y HA 0.224 4.780 4.550 0.011 0.000 0.332 587 Y C -0.394 175.377 175.900 -0.215 0.000 1.034 587 Y CA -1.511 56.569 58.100 -0.033 0.000 1.057 587 Y CB 1.568 40.160 38.460 0.220 0.000 1.220 587 Y HN 0.654 nan 8.280 nan 0.000 0.440 588 D N 3.139 123.510 120.400 -0.048 0.000 2.755 588 D HA -0.208 4.439 4.640 0.012 0.000 0.227 588 D C 1.243 177.423 176.300 -0.201 0.000 1.211 588 D CA 1.896 55.854 54.000 -0.070 0.000 0.663 588 D CB -0.776 40.045 40.800 0.035 0.000 0.983 588 D HN 1.173 nan 8.370 nan 0.000 0.407 589 G N -1.785 106.737 108.800 -0.464 0.000 2.162 589 G HA2 -0.307 3.660 3.960 0.012 0.000 0.260 589 G HA3 -0.307 3.660 3.960 0.012 0.000 0.260 589 G C 0.322 174.986 174.900 -0.393 0.000 0.976 589 G CA 0.348 45.232 45.100 -0.359 0.000 0.655 589 G HN 0.601 nan 8.290 nan 0.000 0.533 590 V N 0.864 120.455 119.914 -0.538 0.000 2.448 590 V HA 0.685 4.812 4.120 0.012 0.000 0.295 590 V C 0.080 175.929 176.094 -0.408 0.000 1.025 590 V CA -0.935 61.100 62.300 -0.442 0.000 0.859 590 V CB 1.757 33.279 31.823 -0.503 0.000 0.988 590 V HN 0.370 nan 8.190 nan 0.000 0.431 591 L N 6.186 127.302 121.223 -0.178 0.000 2.264 591 L HA 0.564 4.911 4.340 0.012 0.000 0.289 591 L C -1.001 175.893 176.870 0.040 0.000 1.044 591 L CA 0.195 55.101 54.840 0.109 0.000 0.807 591 L CB 0.540 42.699 42.059 0.166 0.000 1.192 591 L HN 0.531 nan 8.230 nan 0.000 0.425 592 Y N 5.357 125.971 120.300 0.523 0.000 2.387 592 Y HA 0.663 5.220 4.550 0.011 0.000 0.336 592 Y C -0.320 175.969 175.900 0.649 0.000 1.067 592 Y CA -0.550 57.893 58.100 0.572 0.000 1.114 592 Y CB 1.724 40.534 38.460 0.583 0.000 1.208 592 Y HN 0.518 nan 8.280 nan 0.000 0.458 593 L N 4.705 126.319 121.223 0.651 0.000 2.464 593 L HA 0.687 5.034 4.340 0.012 0.000 0.266 593 L C -1.798 175.283 176.870 0.351 0.000 0.965 593 L CA -0.446 54.693 54.840 0.499 0.000 0.833 593 L CB 1.388 43.634 42.059 0.312 0.000 1.296 593 L HN 0.616 nan 8.230 nan 0.000 0.405 594 I N 3.555 124.326 120.570 0.335 0.000 2.466 594 I HA 0.376 4.553 4.170 0.012 0.000 0.289 594 I C 0.202 176.450 176.117 0.217 0.000 1.026 594 I CA -0.558 60.885 61.300 0.239 0.000 1.078 594 I CB 2.289 40.389 38.000 0.167 0.000 1.249 594 I HN 0.605 nan 8.210 nan 0.000 0.429 595 T N 2.709 117.353 114.554 0.151 0.000 2.899 595 T HA 0.382 4.739 4.350 0.012 0.000 0.284 595 T C -0.004 174.703 174.700 0.011 0.000 1.004 595 T CA -0.802 61.340 62.100 0.070 0.000 1.043 595 T CB 1.945 70.843 68.868 0.050 0.000 1.013 595 T HN 0.562 nan 8.240 nan 0.000 0.518 596 R N 0.597 121.075 120.500 -0.037 0.000 2.297 596 R HA 0.487 4.834 4.340 0.012 0.000 0.308 596 R C 0.357 176.612 176.300 -0.074 0.000 1.029 596 R CA -0.461 55.597 56.100 -0.069 0.000 0.929 596 R CB 0.654 30.909 30.300 -0.076 0.000 1.046 596 R HN 0.951 nan 8.270 nan 0.000 0.461 597 G N 0.837 109.591 108.800 -0.078 0.000 2.420 597 G HA2 0.146 4.113 3.960 0.012 0.000 0.284 597 G HA3 0.146 4.113 3.960 0.012 0.000 0.284 597 G C 0.844 175.751 174.900 0.012 0.000 1.177 597 G CA -0.365 44.706 45.100 -0.047 0.000 0.841 597 G HN 0.737 nan 8.290 nan 0.000 0.527 598 T N -1.655 112.909 114.554 0.016 0.000 3.040 598 T HA 0.258 4.615 4.350 0.012 0.000 0.250 598 T C 0.765 175.538 174.700 0.120 0.000 1.058 598 T CA -0.141 62.015 62.100 0.094 0.000 0.988 598 T CB 0.076 68.963 68.868 0.033 0.000 0.993 598 T HN 0.587 nan 8.240 nan 0.000 0.519 599 R N -0.260 120.212 120.500 -0.047 0.000 2.584 599 R HA 0.574 4.921 4.340 0.012 0.000 0.276 599 R C 0.843 176.816 176.300 -0.545 0.000 1.046 599 R CA -0.794 55.182 56.100 -0.206 0.000 0.906 599 R CB 1.212 31.440 30.300 -0.120 0.000 1.215 599 R HN 0.038 nan 8.270 nan 0.000 0.449 600 G N 0.974 109.150 108.800 -1.039 0.000 2.598 600 G HA2 -0.210 3.757 3.960 0.012 0.000 0.215 600 G HA3 -0.210 3.757 3.960 0.012 0.000 0.215 600 G C 0.564 175.153 174.900 -0.519 0.000 1.131 600 G CA 0.685 45.002 45.100 -1.306 0.000 0.785 600 G HN 0.765 nan 8.290 nan 0.000 0.539 601 D N -0.739 119.461 120.400 -0.333 0.000 2.363 601 D HA 0.115 4.762 4.640 0.012 0.000 0.214 601 D C 0.890 177.105 176.300 -0.142 0.000 1.093 601 D CA -0.231 53.656 54.000 -0.188 0.000 0.837 601 D CB 0.345 41.066 40.800 -0.131 0.000 0.948 601 D HN 0.197 nan 8.370 nan 0.000 0.507 602 R N -0.285 120.120 120.500 -0.159 0.000 2.867 602 R HA 0.393 4.740 4.340 0.012 0.000 0.268 602 R C -0.760 175.479 176.300 -0.101 0.000 1.014 602 R CA -1.291 54.745 56.100 -0.107 0.000 0.946 602 R CB 1.393 31.641 30.300 -0.086 0.000 1.208 602 R HN -0.093 nan 8.270 nan 0.000 0.477 603 L N 1.763 122.945 121.223 -0.069 0.000 2.615 603 L HA 0.024 4.371 4.340 0.012 0.000 0.284 603 L C 1.087 177.937 176.870 -0.034 0.000 1.237 603 L CA 1.072 55.884 54.840 -0.045 0.000 0.905 603 L CB 0.051 42.090 42.059 -0.034 0.000 1.149 603 L HN 0.893 nan 8.230 nan 0.000 0.499 604 G N 2.064 110.851 108.800 -0.021 0.000 3.019 604 G HA2 0.321 4.289 3.960 0.012 0.000 0.152 604 G HA3 0.321 4.289 3.960 0.012 0.000 0.152 604 G C -0.310 174.602 174.900 0.019 0.000 1.320 604 G CA -0.431 44.648 45.100 -0.034 0.000 1.013 604 G HN 0.555 nan 8.290 nan 0.000 0.593 605 S N 0.042 115.720 115.700 -0.036 0.000 2.573 605 S HA 0.357 4.834 4.470 0.012 0.000 0.297 605 S C 0.471 175.218 174.600 0.245 0.000 1.280 605 S CA 0.386 58.584 58.200 -0.002 0.000 1.061 605 S CB 0.319 63.345 63.200 -0.291 0.000 0.812 605 S HN 0.967 nan 8.310 nan 0.000 0.500 606 S N 3.017 118.850 115.700 0.223 0.000 2.599 606 S HA 0.743 5.220 4.470 0.012 0.000 0.287 606 S C -0.954 173.612 174.600 -0.056 0.000 1.105 606 S CA -1.008 57.238 58.200 0.078 0.000 0.899 606 S CB 1.284 64.453 63.200 -0.052 0.000 1.100 606 S HN 0.611 nan 8.310 nan 0.000 0.482 607 L N 2.292 123.239 121.223 -0.461 0.000 2.346 607 L HA 0.633 4.980 4.340 0.012 0.000 0.276 607 L C -1.266 175.231 176.870 -0.622 0.000 1.006 607 L CA -0.492 54.124 54.840 -0.373 0.000 0.817 607 L CB 1.472 43.246 42.059 -0.476 0.000 1.272 607 L HN 0.895 nan 8.230 nan 0.000 0.421 608 H N 3.776 122.951 119.070 0.175 0.000 2.851 608 H HA 0.526 5.089 4.556 0.012 0.000 0.372 608 H C -1.121 174.575 175.328 0.615 0.000 1.158 608 H CA -0.902 55.345 56.048 0.331 0.000 1.159 608 H CB 2.336 32.022 29.762 -0.127 0.000 1.757 608 H HN 0.569 nan 8.280 nan 0.000 0.546 609 R N 0.181 121.071 120.500 0.650 0.000 2.686 609 R HA 0.687 5.034 4.340 0.012 0.000 0.283 609 R C -1.082 175.260 176.300 0.070 0.000 0.978 609 R CA -0.989 55.230 56.100 0.198 0.000 0.897 609 R CB 2.148 32.264 30.300 -0.306 0.000 1.192 609 R HN 0.445 nan 8.270 nan 0.000 0.457 610 S N 0.501 116.055 115.700 -0.243 0.000 2.541 610 S HA 0.412 4.889 4.470 0.012 0.000 0.280 610 S C -0.206 174.181 174.600 -0.354 0.000 1.112 610 S CA -0.936 56.980 58.200 -0.474 0.000 0.925 610 S CB 1.510 64.074 63.200 -1.060 0.000 1.067 610 S HN 0.772 nan 8.310 nan 0.000 0.479 611 R N 1.440 121.767 120.500 -0.289 0.000 2.393 611 R HA 0.172 4.519 4.340 0.012 0.000 0.244 611 R C -0.587 175.616 176.300 -0.162 0.000 0.920 611 R CA 0.376 56.357 56.100 -0.199 0.000 1.076 611 R CB 0.056 30.258 30.300 -0.164 0.000 1.119 611 R HN 0.701 nan 8.270 nan 0.000 0.524 612 D N -0.796 119.465 120.400 -0.232 0.000 2.837 612 D HA 0.092 4.739 4.640 0.012 0.000 0.340 612 D C 0.084 176.224 176.300 -0.267 0.000 1.451 612 D CA -0.563 53.318 54.000 -0.199 0.000 0.798 612 D CB -0.504 40.194 40.800 -0.170 0.000 1.169 612 D HN 0.051 nan 8.370 nan 0.000 0.449 613 I N 0.595 120.982 120.570 -0.304 0.000 6.697 613 I HA -0.249 3.928 4.170 0.012 0.000 0.126 613 I C 1.279 177.184 176.117 -0.354 0.000 1.764 613 I CA 0.844 61.923 61.300 -0.369 0.000 2.245 613 I CB -1.511 36.123 38.000 -0.609 0.000 3.404 613 I HN 0.573 nan 8.210 nan 0.000 0.228 614 G N 0.316 108.747 108.800 -0.614 0.000 2.159 614 G HA2 -0.262 3.705 3.960 0.012 0.000 0.227 614 G HA3 -0.262 3.705 3.960 0.012 0.000 0.227 614 G C 0.517 175.160 174.900 -0.428 0.000 0.986 614 G CA 0.396 45.067 45.100 -0.715 0.000 0.651 614 G HN 0.565 nan 8.290 nan 0.000 0.523 615 Q N -0.113 119.471 119.800 -0.360 0.000 2.083 615 Q HA 0.127 4.474 4.340 0.012 0.000 0.198 615 Q C 1.475 177.370 176.000 -0.176 0.000 0.969 615 Q CA 1.583 57.287 55.803 -0.165 0.000 0.838 615 Q CB 0.113 28.785 28.738 -0.110 0.000 0.900 615 Q HN 0.784 nan 8.270 nan 0.000 0.436 616 T N -2.872 111.473 114.554 -0.347 0.000 2.906 616 T HA 0.566 4.923 4.350 0.012 0.000 0.295 616 T C -1.412 173.046 174.700 -0.403 0.000 1.061 616 T CA -0.873 61.103 62.100 -0.207 0.000 1.000 616 T CB 1.361 70.170 68.868 -0.098 0.000 1.103 616 T HN 0.177 nan 8.240 nan 0.000 0.486 617 W N -0.062 121.255 121.300 0.028 0.000 3.033 617 W HA 0.611 5.278 4.660 0.012 0.000 0.336 617 W C -0.416 176.139 176.519 0.060 0.000 1.173 617 W CA -0.781 56.593 57.345 0.049 0.000 1.185 617 W CB 1.801 31.318 29.460 0.095 0.000 1.425 617 W HN 0.724 nan 8.180 nan 0.000 0.536 618 E N 1.113 121.500 120.200 0.313 0.000 2.195 618 E HA 0.719 5.076 4.350 0.012 0.000 0.271 618 E C -0.864 175.994 176.600 0.430 0.000 0.923 618 E CA -0.716 55.833 56.400 0.248 0.000 0.790 618 E CB 2.129 31.815 29.700 -0.022 0.000 1.155 618 E HN 0.214 nan 8.360 nan 0.000 0.402 619 S N 2.087 118.006 115.700 0.366 0.000 2.569 619 S HA 0.631 5.108 4.470 0.012 0.000 0.280 619 S C -1.187 173.334 174.600 -0.131 0.000 1.111 619 S CA -0.912 57.288 58.200 -0.001 0.000 0.887 619 S CB 1.351 64.370 63.200 -0.301 0.000 1.095 619 S HN 0.480 nan 8.310 nan 0.000 0.476 620 L N 0.256 121.152 121.223 -0.544 0.000 2.466 620 L HA 0.760 5.107 4.340 0.012 0.000 0.258 620 L C -1.388 175.199 176.870 -0.472 0.000 0.973 620 L CA -0.859 53.684 54.840 -0.495 0.000 0.826 620 L CB 2.128 43.733 42.059 -0.756 0.000 1.372 620 L HN 0.662 nan 8.230 nan 0.000 0.409 621 R N 1.706 122.078 120.500 -0.213 0.000 2.312 621 R HA 0.589 4.936 4.340 0.012 0.000 0.311 621 R C -1.040 175.158 176.300 -0.170 0.000 1.004 621 R CA -0.322 55.739 56.100 -0.066 0.000 0.902 621 R CB 0.968 31.307 30.300 0.065 0.000 1.073 621 R HN 0.548 nan 8.270 nan 0.000 0.457 622 F N 5.882 125.762 119.950 -0.118 0.000 2.529 622 F HA 0.212 4.746 4.527 0.011 0.000 0.365 622 F C -1.310 174.445 175.800 -0.075 0.000 1.102 622 F CA -1.404 56.553 58.000 -0.073 0.000 1.271 622 F CB 0.300 39.325 39.000 0.042 0.000 1.120 622 F HN 0.462 nan 8.300 nan 0.000 0.579 623 P HA 0.013 nan 4.420 nan 0.000 0.272 623 P C -0.551 176.705 177.300 -0.073 0.000 1.230 623 P CA 0.151 63.151 63.100 -0.167 0.000 0.788 623 P CB 0.300 31.811 31.700 -0.316 0.000 0.949 624 H N -0.101 118.988 119.070 0.032 0.000 2.839 624 H HA -0.175 4.388 4.556 0.012 0.000 0.298 624 H C -0.195 175.088 175.328 -0.076 0.000 1.224 624 H CA 0.831 56.871 56.048 -0.013 0.000 1.144 624 H CB -2.666 27.103 29.762 0.012 0.000 1.372 624 H HN 0.734 nan 8.280 nan 0.000 0.408 625 N N -1.633 117.064 118.700 -0.006 0.000 2.727 625 N HA -0.172 4.575 4.740 0.012 0.000 0.251 625 N C -0.141 175.301 175.510 -0.112 0.000 1.040 625 N CA 0.361 53.364 53.050 -0.078 0.000 0.712 625 N CB -0.604 37.801 38.487 -0.137 0.000 0.912 625 N HN 0.118 nan 8.380 nan 0.000 0.545 626 V N 2.035 121.821 119.914 -0.214 0.000 2.557 626 V HA 0.010 4.137 4.120 0.012 0.000 0.301 626 V C 0.868 176.724 176.094 -0.396 0.000 1.026 626 V CA 0.553 62.522 62.300 -0.551 0.000 1.137 626 V CB 0.102 31.506 31.823 -0.698 0.000 0.917 626 V HN 0.420 nan 8.190 nan 0.000 0.484 627 H N 2.700 121.373 119.070 -0.662 0.000 3.008 627 H HA 0.427 4.990 4.556 0.012 0.000 0.354 627 H C 0.339 175.465 175.328 -0.337 0.000 1.252 627 H CA -0.483 55.295 56.048 -0.449 0.000 1.117 627 H CB 0.963 30.431 29.762 -0.490 0.000 1.857 627 H HN 0.743 nan 8.280 nan 0.000 0.547 628 H N -1.629 117.337 119.070 -0.173 0.000 3.631 628 H HA -0.173 4.390 4.556 0.012 0.000 0.202 628 H C -0.214 175.052 175.328 -0.103 0.000 1.029 628 H CA 1.378 57.347 56.048 -0.131 0.000 1.208 628 H CB -0.743 28.927 29.762 -0.154 0.000 1.124 628 H HN 0.825 nan 8.280 nan 0.000 0.329 629 T N 0.913 115.438 114.554 -0.049 0.000 2.887 629 T HA 0.435 4.792 4.350 0.012 0.000 0.288 629 T C 0.376 175.097 174.700 0.035 0.000 1.021 629 T CA 0.016 62.131 62.100 0.026 0.000 1.000 629 T CB 1.613 70.497 68.868 0.026 0.000 1.034 629 T HN 0.324 nan 8.240 nan 0.000 0.467 630 T N 2.238 116.881 114.554 0.149 0.000 2.849 630 T HA 0.574 4.931 4.350 0.012 0.000 0.284 630 T C 0.230 175.063 174.700 0.223 0.000 1.004 630 T CA -0.808 61.405 62.100 0.189 0.000 1.021 630 T CB 0.422 69.480 68.868 0.317 0.000 1.013 630 T HN 0.505 nan 8.240 nan 0.000 0.527 631 L N 2.003 123.380 121.223 0.257 0.000 2.556 631 L HA 0.339 4.686 4.340 0.012 0.000 0.243 631 L C -2.319 174.835 176.870 0.473 0.000 1.331 631 L CA -2.121 52.894 54.840 0.292 0.000 0.927 631 L CB 1.122 43.272 42.059 0.151 0.000 1.219 631 L HN 0.494 nan 8.230 nan 0.000 0.490 632 P HA 0.227 nan 4.420 nan 0.000 0.272 632 P C -0.832 176.836 177.300 0.614 0.000 1.223 632 P CA 0.193 63.611 63.100 0.530 0.000 0.784 632 P CB 0.857 32.833 31.700 0.459 0.000 0.923 633 F N -1.283 118.889 119.950 0.370 0.000 2.741 633 F HA 0.826 5.361 4.527 0.012 0.000 0.313 633 F C -1.973 174.042 175.800 0.357 0.000 1.153 633 F CA -1.330 56.879 58.000 0.349 0.000 0.931 633 F CB 0.777 39.941 39.000 0.274 0.000 1.335 633 F HN 0.528 nan 8.300 nan 0.000 0.460 634 A N 1.403 124.466 122.820 0.405 0.000 2.566 634 A HA 0.725 5.052 4.320 0.012 0.000 0.292 634 A C -1.821 175.874 177.584 0.186 0.000 1.112 634 A CA -1.075 51.143 52.037 0.302 0.000 0.707 634 A CB 2.033 21.217 19.000 0.307 0.000 1.302 634 A HN 0.925 nan 8.150 nan 0.000 0.409 635 K N 0.919 121.147 120.400 -0.286 0.000 2.213 635 K HA 0.632 4.959 4.320 0.012 0.000 0.270 635 K C -1.649 174.764 176.600 -0.313 0.000 1.002 635 K CA -0.307 55.664 56.287 -0.526 0.000 0.868 635 K CB 1.250 33.042 32.500 -1.181 0.000 1.093 635 K HN 0.430 nan 8.250 nan 0.000 0.454 636 V N 4.598 124.429 119.914 -0.139 0.000 2.443 636 V HA 0.413 4.540 4.120 0.012 0.000 0.293 636 V C 0.761 176.819 176.094 -0.061 0.000 1.021 636 V CA 0.046 62.312 62.300 -0.056 0.000 0.848 636 V CB 0.679 32.504 31.823 0.003 0.000 0.998 636 V HN 1.181 nan 8.190 nan 0.000 0.424 637 G N 5.097 113.870 108.800 -0.046 0.000 2.622 637 G HA2 -0.296 3.671 3.960 0.012 0.000 0.307 637 G HA3 -0.296 3.671 3.960 0.012 0.000 0.307 637 G C 0.367 175.234 174.900 -0.055 0.000 1.226 637 G CA 0.778 45.856 45.100 -0.037 0.000 0.997 637 G HN 0.662 nan 8.290 nan 0.000 0.551 638 D N 2.136 122.508 120.400 -0.046 0.000 2.340 638 D HA 0.270 4.918 4.640 0.012 0.000 0.220 638 D C 0.119 176.379 176.300 -0.066 0.000 1.039 638 D CA 0.621 54.594 54.000 -0.044 0.000 0.866 638 D CB 0.119 40.902 40.800 -0.027 0.000 0.913 638 D HN 0.337 nan 8.370 nan 0.000 0.523 639 D N 0.160 120.508 120.400 -0.086 0.000 2.350 639 D HA 0.238 4.885 4.640 0.012 0.000 0.245 639 D C -0.166 176.059 176.300 -0.124 0.000 1.036 639 D CA -0.632 53.310 54.000 -0.097 0.000 0.848 639 D CB 1.940 42.694 40.800 -0.076 0.000 1.307 639 D HN -0.205 nan 8.370 nan 0.000 0.469 640 L N 1.884 123.022 121.223 -0.141 0.000 2.331 640 L HA 0.391 4.738 4.340 0.012 0.000 0.278 640 L C 0.183 177.041 176.870 -0.019 0.000 1.106 640 L CA -0.153 54.634 54.840 -0.088 0.000 0.824 640 L CB 0.393 42.338 42.059 -0.190 0.000 1.142 640 L HN 0.308 nan 8.230 nan 0.000 0.443 641 I N 5.412 126.044 120.570 0.103 0.000 2.354 641 I HA 0.394 4.571 4.170 0.012 0.000 0.286 641 I C 0.093 176.339 176.117 0.215 0.000 1.007 641 I CA -0.330 61.035 61.300 0.108 0.000 1.167 641 I CB 0.980 39.070 38.000 0.149 0.000 1.320 641 I HN 0.599 nan 8.210 nan 0.000 0.458 642 M N 4.327 123.979 119.600 0.087 0.000 2.602 642 M HA 0.680 5.167 4.480 0.012 0.000 0.312 642 M C -1.841 174.470 176.300 0.019 0.000 1.181 642 M CA -0.469 54.970 55.300 0.232 0.000 0.910 642 M CB 2.506 35.254 32.600 0.245 0.000 1.723 642 M HN 0.189 nan 8.290 nan 0.000 0.459 643 F N 0.028 120.022 119.950 0.073 0.000 2.551 643 F HA 0.892 5.426 4.527 0.012 0.000 0.316 643 F C 0.324 176.018 175.800 -0.176 0.000 1.089 643 F CA -0.380 57.468 58.000 -0.252 0.000 0.915 643 F CB 2.648 40.938 39.000 -1.182 0.000 1.186 643 F HN 0.870 nan 8.300 nan 0.000 0.456 644 G N 0.152 109.012 108.800 0.101 0.000 2.690 644 G HA2 0.638 4.605 3.960 0.012 0.000 0.291 644 G HA3 0.638 4.605 3.960 0.012 0.000 0.291 644 G C -1.850 173.213 174.900 0.272 0.000 1.403 644 G CA -0.912 44.336 45.100 0.247 0.000 0.864 644 G HN 0.550 nan 8.290 nan 0.000 0.480 645 S N -0.034 115.903 115.700 0.394 0.000 2.575 645 S HA 0.422 4.899 4.470 0.012 0.000 0.278 645 S C -0.333 174.502 174.600 0.392 0.000 1.139 645 S CA -0.882 57.516 58.200 0.331 0.000 0.954 645 S CB 1.756 65.130 63.200 0.290 0.000 1.054 645 S HN 0.902 nan 8.310 nan 0.000 0.483 646 E N 2.386 122.841 120.200 0.425 0.000 2.390 646 E HA 0.268 4.625 4.350 0.012 0.000 0.261 646 E C 0.244 176.940 176.600 0.161 0.000 1.076 646 E CA -0.709 55.874 56.400 0.305 0.000 0.905 646 E CB 0.610 30.515 29.700 0.341 0.000 0.984 646 E HN 0.322 nan 8.360 nan 0.000 0.427 647 R N 0.779 121.327 120.500 0.080 0.000 2.210 647 R HA 0.237 4.584 4.340 0.012 0.000 0.203 647 R C 0.179 176.397 176.300 -0.138 0.000 1.010 647 R CA 0.754 56.858 56.100 0.007 0.000 1.008 647 R CB -0.026 30.259 30.300 -0.025 0.000 0.923 647 R HN 0.619 nan 8.270 nan 0.000 0.469 648 A N 0.485 123.210 122.820 -0.159 0.000 2.594 648 A HA 0.363 4.690 4.320 0.012 0.000 0.291 648 A C -1.104 176.465 177.584 -0.025 0.000 1.105 648 A CA -0.703 51.193 52.037 -0.236 0.000 0.694 648 A CB 1.370 20.001 19.000 -0.614 0.000 1.291 648 A HN 0.090 nan 8.150 nan 0.000 0.410 649 E N 0.416 120.643 120.200 0.045 0.000 2.414 649 E HA 0.149 4.506 4.350 0.012 0.000 0.263 649 E C -0.107 176.556 176.600 0.105 0.000 1.000 649 E CA 0.808 57.272 56.400 0.107 0.000 0.914 649 E CB -0.138 29.652 29.700 0.150 0.000 0.948 649 E HN 0.650 nan 8.360 nan 0.000 0.444 650 N N 2.730 121.514 118.700 0.140 0.000 2.776 650 N HA -0.196 4.551 4.740 0.012 0.000 0.250 650 N C -0.210 175.374 175.510 0.124 0.000 1.112 650 N CA 0.730 53.864 53.050 0.141 0.000 0.733 650 N CB -0.461 38.094 38.487 0.115 0.000 1.097 650 N HN 0.598 nan 8.380 nan 0.000 0.558 651 E N -0.832 119.446 120.200 0.129 0.000 2.452 651 E HA -0.030 4.327 4.350 0.012 0.000 0.197 651 E C 1.284 177.912 176.600 0.046 0.000 1.022 651 E CA -0.261 56.199 56.400 0.099 0.000 0.890 651 E CB 0.088 29.832 29.700 0.075 0.000 0.918 651 E HN 0.439 nan 8.360 nan 0.000 0.496 652 W N 2.706 123.941 121.300 -0.109 0.000 2.335 652 W HA -0.159 4.508 4.660 0.011 0.000 0.311 652 W C 0.135 176.551 176.519 -0.171 0.000 1.213 652 W CA 1.304 58.498 57.345 -0.251 0.000 1.274 652 W CB 0.133 29.453 29.460 -0.233 0.000 1.148 652 W HN -0.039 nan 8.180 nan 0.000 0.498 653 E N 0.204 120.480 120.200 0.127 0.000 2.404 653 E HA 0.254 4.611 4.350 0.012 0.000 0.261 653 E C 0.232 176.846 176.600 0.023 0.000 1.074 653 E CA 0.087 56.516 56.400 0.047 0.000 0.917 653 E CB 0.581 30.301 29.700 0.033 0.000 0.965 653 E HN 0.095 nan 8.360 nan 0.000 0.433 654 A N 2.000 124.803 122.820 -0.028 0.000 2.567 654 A HA 0.370 4.697 4.320 0.012 0.000 0.240 654 A C 1.433 178.971 177.584 -0.076 0.000 1.053 654 A CA 0.677 52.675 52.037 -0.064 0.000 0.755 654 A CB -0.793 18.212 19.000 0.008 0.000 0.978 654 A HN 0.892 nan 8.150 nan 0.000 0.507 655 G N 1.043 109.765 108.800 -0.131 0.000 2.234 655 G HA2 0.092 4.059 3.960 0.012 0.000 0.260 655 G HA3 0.092 4.059 3.960 0.012 0.000 0.260 655 G C 0.669 175.529 174.900 -0.067 0.000 0.987 655 G CA 0.560 45.601 45.100 -0.097 0.000 0.625 655 G HN 2.310 nan 8.290 nan 0.000 0.532 656 A N 2.025 124.821 122.820 -0.039 0.000 2.492 656 A HA 0.594 4.921 4.320 0.012 0.000 0.254 656 A C -0.836 176.755 177.584 0.012 0.000 1.091 656 A CA -0.167 51.876 52.037 0.010 0.000 0.768 656 A CB 0.176 19.211 19.000 0.058 0.000 1.028 656 A HN 0.364 nan 8.150 nan 0.000 0.498 657 P HA 0.162 nan 4.420 nan 0.000 0.274 657 P C -0.779 176.561 177.300 0.066 0.000 1.231 657 P CA -0.424 62.695 63.100 0.033 0.000 0.790 657 P CB 0.557 32.276 31.700 0.032 0.000 0.951 658 D N 1.154 121.607 120.400 0.089 0.000 2.525 658 D HA 0.036 4.683 4.640 0.012 0.000 0.235 658 D C 0.028 176.359 176.300 0.050 0.000 1.137 658 D CA 1.120 55.174 54.000 0.089 0.000 0.868 658 D CB -0.028 40.828 40.800 0.093 0.000 1.180 658 D HN 0.291 nan 8.370 nan 0.000 0.465 659 D N 1.972 122.378 120.400 0.010 0.000 2.443 659 D HA 0.150 4.797 4.640 0.012 0.000 0.281 659 D C -0.459 175.833 176.300 -0.013 0.000 1.210 659 D CA -0.593 53.425 54.000 0.031 0.000 0.875 659 D CB 0.210 41.038 40.800 0.048 0.000 1.125 659 D HN 0.045 nan 8.370 nan 0.000 0.503 660 R N 0.949 121.451 120.500 0.003 0.000 2.810 660 R HA 0.417 4.764 4.340 0.012 0.000 0.245 660 R C 0.270 176.686 176.300 0.193 0.000 1.168 660 R CA -0.719 55.348 56.100 -0.056 0.000 1.096 660 R CB 0.066 30.155 30.300 -0.353 0.000 1.259 660 R HN 0.471 nan 8.270 nan 0.000 0.518 661 Y N -1.750 118.755 120.300 0.342 0.000 4.729 661 Y HA -0.337 4.220 4.550 0.012 0.000 0.239 661 Y C 0.312 176.309 175.900 0.162 0.000 1.043 661 Y CA 1.402 59.625 58.100 0.205 0.000 2.045 661 Y CB -1.180 37.357 38.460 0.128 0.000 1.599 661 Y HN 0.540 nan 8.280 nan 0.000 0.655 662 K N 0.347 120.943 120.400 0.327 0.000 2.550 662 K HA 0.837 5.165 4.320 0.012 0.000 0.252 662 K C -0.494 176.226 176.600 0.201 0.000 0.943 662 K CA -0.275 56.142 56.287 0.216 0.000 0.806 662 K CB 1.842 34.459 32.500 0.196 0.000 1.289 662 K HN 0.179 nan 8.250 nan 0.000 0.435 663 A N 2.200 125.073 122.820 0.087 0.000 2.540 663 A HA 0.400 4.727 4.320 0.012 0.000 0.239 663 A C -0.015 177.654 177.584 0.142 0.000 1.061 663 A CA 0.707 52.775 52.037 0.052 0.000 0.758 663 A CB -0.245 18.803 19.000 0.079 0.000 0.991 663 A HN 0.998 nan 8.150 nan 0.000 0.502 664 S N 0.894 116.659 115.700 0.108 0.000 2.727 664 S HA 0.649 5.126 4.470 0.012 0.000 0.278 664 S C -1.234 173.305 174.600 -0.102 0.000 1.186 664 S CA -0.615 57.666 58.200 0.135 0.000 0.836 664 S CB 0.646 63.975 63.200 0.214 0.000 1.186 664 S HN 0.587 nan 8.310 nan 0.000 0.499 665 Y N 1.766 122.121 120.300 0.092 0.000 2.837 665 Y HA 0.452 5.009 4.550 0.012 0.000 0.356 665 Y C -2.546 173.374 175.900 0.033 0.000 1.035 665 Y CA -1.958 56.167 58.100 0.041 0.000 1.165 665 Y CB 1.302 39.778 38.460 0.026 0.000 1.147 665 Y HN 0.425 nan 8.280 nan 0.000 0.628 666 P HA 0.081 nan 4.420 nan 0.000 0.268 666 P C -0.358 176.962 177.300 0.033 0.000 1.205 666 P CA -0.055 63.095 63.100 0.083 0.000 0.771 666 P CB 0.950 32.693 31.700 0.072 0.000 0.858 667 R N 1.127 121.606 120.500 -0.034 0.000 2.357 667 R HA 0.432 4.779 4.340 0.012 0.000 0.296 667 R C 0.314 176.358 176.300 -0.426 0.000 1.052 667 R CA -0.138 55.776 56.100 -0.311 0.000 0.988 667 R CB 0.459 30.431 30.300 -0.547 0.000 1.025 667 R HN 0.400 nan 8.270 nan 0.000 0.469 668 T N 3.469 117.732 114.554 -0.486 0.000 2.824 668 T HA 0.510 4.867 4.350 0.012 0.000 0.280 668 T C -0.863 173.449 174.700 -0.647 0.000 0.995 668 T CA -0.295 61.575 62.100 -0.384 0.000 1.009 668 T CB 0.485 69.248 68.868 -0.175 0.000 0.955 668 T HN 0.235 nan 8.240 nan 0.000 0.452 669 F N 2.188 121.938 119.950 -0.334 0.000 2.593 669 F HA 0.673 5.207 4.527 0.012 0.000 0.320 669 F C -0.354 175.393 175.800 -0.088 0.000 1.060 669 F CA -1.171 56.648 58.000 -0.301 0.000 0.940 669 F CB 1.543 40.172 39.000 -0.619 0.000 1.268 669 F HN 0.599 nan 8.300 nan 0.000 0.475 670 Y N 0.517 120.787 120.300 -0.050 0.000 2.605 670 Y HA 0.941 5.498 4.550 0.012 0.000 0.343 670 Y C -1.517 174.274 175.900 -0.183 0.000 1.036 670 Y CA -1.967 55.946 58.100 -0.310 0.000 1.065 670 Y CB 1.409 39.275 38.460 -0.990 0.000 1.288 670 Y HN 0.820 nan 8.280 nan 0.000 0.481 671 A N 2.550 124.988 122.820 -0.637 0.000 2.572 671 A HA 0.828 5.155 4.320 0.012 0.000 0.295 671 A C -1.510 175.749 177.584 -0.543 0.000 1.072 671 A CA -1.248 50.279 52.037 -0.851 0.000 0.691 671 A CB 1.652 19.895 19.000 -1.262 0.000 1.291 671 A HN 0.831 nan 8.150 nan 0.000 0.404 672 R N 0.602 120.811 120.500 -0.484 0.000 2.514 672 R HA 0.729 5.076 4.340 0.012 0.000 0.301 672 R C -1.412 174.707 176.300 -0.301 0.000 0.962 672 R CA -0.490 55.444 56.100 -0.278 0.000 0.882 672 R CB 1.753 31.944 30.300 -0.183 0.000 1.143 672 R HN 0.602 nan 8.270 nan 0.000 0.452 673 L N 2.185 123.262 121.223 -0.244 0.000 2.385 673 L HA 0.357 4.704 4.340 0.012 0.000 0.273 673 L C -0.378 176.395 176.870 -0.163 0.000 0.990 673 L CA -0.860 53.831 54.840 -0.248 0.000 0.821 673 L CB 2.085 43.951 42.059 -0.321 0.000 1.279 673 L HN 0.603 nan 8.230 nan 0.000 0.412 674 N N 1.905 120.529 118.700 -0.126 0.000 2.488 674 N HA 0.063 4.810 4.740 0.012 0.000 0.274 674 N C 0.859 176.382 175.510 0.021 0.000 1.111 674 N CA -0.209 52.804 53.050 -0.061 0.000 0.974 674 N CB 2.184 40.638 38.487 -0.055 0.000 1.089 674 N HN 0.554 nan 8.380 nan 0.000 0.465 675 V N 1.863 121.814 119.914 0.061 0.000 2.970 675 V HA -0.056 4.071 4.120 0.012 0.000 0.260 675 V C 1.302 177.505 176.094 0.182 0.000 1.100 675 V CA 1.335 63.758 62.300 0.205 0.000 1.122 675 V CB -0.662 31.260 31.823 0.166 0.000 0.721 675 V HN 0.579 nan 8.190 nan 0.000 0.483 676 N N 1.433 120.187 118.700 0.090 0.000 2.207 676 N HA -0.091 4.656 4.740 0.012 0.000 0.182 676 N C 1.841 177.407 175.510 0.093 0.000 1.020 676 N CA 1.336 54.424 53.050 0.064 0.000 0.858 676 N CB -0.397 38.105 38.487 0.023 0.000 0.991 676 N HN 0.552 nan 8.380 nan 0.000 0.427 677 N N 0.436 119.180 118.700 0.073 0.000 2.166 677 N HA -0.216 4.531 4.740 0.012 0.000 0.186 677 N C -0.406 175.178 175.510 0.124 0.000 1.019 677 N CA 0.472 53.553 53.050 0.052 0.000 0.856 677 N CB -0.181 38.295 38.487 -0.017 0.000 0.993 677 N HN 0.366 nan 8.380 nan 0.000 0.426 678 W N 1.194 122.436 121.300 -0.097 0.000 6.880 678 W HA -0.283 4.384 4.660 0.012 0.000 0.423 678 W C -1.037 175.402 176.519 -0.134 0.000 1.695 678 W CA 0.631 57.911 57.345 -0.109 0.000 1.126 678 W CB -1.458 27.964 29.460 -0.065 0.000 2.925 678 W HN 0.341 nan 8.180 nan 0.000 1.530 679 N N 1.346 119.847 118.700 -0.331 0.000 2.648 679 N HA 0.431 5.178 4.740 0.012 0.000 0.272 679 N C 0.116 175.389 175.510 -0.395 0.000 1.118 679 N CA 0.363 53.212 53.050 -0.335 0.000 0.973 679 N CB 1.033 39.420 38.487 -0.167 0.000 1.565 679 N HN 0.072 nan 8.380 nan 0.000 0.542 680 A N 2.423 124.950 122.820 -0.488 0.000 2.348 680 A HA 0.131 4.458 4.320 0.012 0.000 0.224 680 A C 0.989 178.391 177.584 -0.303 0.000 1.227 680 A CA 0.125 51.868 52.037 -0.490 0.000 0.885 680 A CB 0.067 18.589 19.000 -0.797 0.000 0.933 680 A HN 0.744 nan 8.150 nan 0.000 0.506 681 D N 1.099 121.358 120.400 -0.234 0.000 2.158 681 D HA -0.128 4.519 4.640 0.012 0.000 0.197 681 D C 0.207 176.444 176.300 -0.105 0.000 0.995 681 D CA 1.290 55.198 54.000 -0.154 0.000 0.846 681 D CB -0.037 40.689 40.800 -0.123 0.000 0.941 681 D HN 0.360 nan 8.370 nan 0.000 0.456 682 D N 0.067 120.395 120.400 -0.120 0.000 2.525 682 D HA 0.122 4.769 4.640 0.012 0.000 0.229 682 D C 0.689 176.909 176.300 -0.133 0.000 1.202 682 D CA -0.356 53.594 54.000 -0.084 0.000 0.828 682 D CB 0.177 40.931 40.800 -0.076 0.000 1.008 682 D HN 0.250 nan 8.370 nan 0.000 0.493 683 I N 1.263 121.721 120.570 -0.187 0.000 2.880 683 I HA -0.136 4.041 4.170 0.012 0.000 0.296 683 I C -0.015 175.924 176.117 -0.298 0.000 1.220 683 I CA 0.562 61.667 61.300 -0.325 0.000 1.435 683 I CB 0.528 38.277 38.000 -0.418 0.000 1.339 683 I HN -0.131 nan 8.210 nan 0.000 0.583 684 E N 6.945 126.857 120.200 -0.480 0.000 2.101 684 E HA 0.177 4.534 4.350 0.012 0.000 0.260 684 E C -1.668 174.612 176.600 -0.534 0.000 0.897 684 E CA -0.413 55.664 56.400 -0.538 0.000 0.744 684 E CB 0.715 29.805 29.700 -1.017 0.000 1.140 684 E HN 0.465 nan 8.360 nan 0.000 0.419 685 W N 2.852 124.068 121.300 -0.140 0.000 2.356 685 W HA 0.246 4.913 4.660 0.012 0.000 0.311 685 W C -0.289 176.167 176.519 -0.106 0.000 1.328 685 W CA -0.576 56.634 57.345 -0.225 0.000 1.251 685 W CB 0.744 29.945 29.460 -0.430 0.000 1.280 685 W HN 0.192 nan 8.180 nan 0.000 0.524 686 V N 4.658 124.593 119.914 0.035 0.000 2.334 686 V HA 0.080 4.207 4.120 0.012 0.000 0.281 686 V C 0.032 176.146 176.094 0.033 0.000 1.016 686 V CA -1.125 61.177 62.300 0.002 0.000 0.832 686 V CB 0.996 32.721 31.823 -0.163 0.000 0.999 686 V HN 0.424 nan 8.190 nan 0.000 0.439 687 N N 4.629 123.222 118.700 -0.178 0.000 2.416 687 N HA 0.192 4.939 4.740 0.012 0.000 0.265 687 N C 0.676 176.064 175.510 -0.204 0.000 1.195 687 N CA -0.058 52.676 53.050 -0.527 0.000 0.943 687 N CB 0.619 38.644 38.487 -0.770 0.000 1.115 687 N HN 0.718 nan 8.380 nan 0.000 0.481 688 I N -0.364 120.088 120.570 -0.196 0.000 4.035 688 I HA 0.349 4.526 4.170 0.012 0.000 0.321 688 I C 0.549 176.615 176.117 -0.084 0.000 1.289 688 I CA -0.194 61.040 61.300 -0.109 0.000 1.236 688 I CB 0.399 38.247 38.000 -0.253 0.000 1.076 688 I HN 0.348 nan 8.210 nan 0.000 0.418 689 T N 0.142 114.622 114.554 -0.124 0.000 2.885 689 T HA 0.374 4.731 4.350 0.012 0.000 0.322 689 T C -2.066 172.610 174.700 -0.041 0.000 1.387 689 T CA -0.506 61.592 62.100 -0.003 0.000 1.041 689 T CB 2.019 70.966 68.868 0.130 0.000 1.287 689 T HN 0.069 nan 8.240 nan 0.000 0.491 690 D N 2.265 122.674 120.400 0.015 0.000 2.362 690 D HA 0.673 5.320 4.640 0.012 0.000 0.247 690 D C -0.371 175.953 176.300 0.040 0.000 1.050 690 D CA -0.259 53.759 54.000 0.030 0.000 0.839 690 D CB 2.026 42.872 40.800 0.076 0.000 1.283 690 D HN 0.313 nan 8.370 nan 0.000 0.477 691 Q N 0.364 120.172 119.800 0.013 0.000 2.427 691 Q HA 0.651 4.998 4.340 0.012 0.000 0.232 691 Q C -0.461 175.449 176.000 -0.150 0.000 1.018 691 Q CA -0.625 55.110 55.803 -0.113 0.000 0.965 691 Q CB 1.565 30.240 28.738 -0.106 0.000 1.232 691 Q HN 0.412 nan 8.270 nan 0.000 0.510 692 I N 0.829 121.218 120.570 -0.302 0.000 2.441 692 I HA 0.307 4.484 4.170 0.012 0.000 0.295 692 I C -1.182 174.774 176.117 -0.269 0.000 0.994 692 I CA -0.998 60.018 61.300 -0.472 0.000 1.144 692 I CB 1.302 38.866 38.000 -0.727 0.000 1.314 692 I HN 0.525 nan 8.210 nan 0.000 0.445 693 Y N 5.983 126.091 120.300 -0.321 0.000 2.331 693 Y HA 0.205 4.762 4.550 0.012 0.000 0.338 693 Y C 1.080 176.860 175.900 -0.200 0.000 0.976 693 Y CA -0.218 57.760 58.100 -0.203 0.000 1.137 693 Y CB 1.257 39.651 38.460 -0.110 0.000 1.172 693 Y HN 0.592 nan 8.280 nan 0.000 0.478 694 Q N 4.475 123.830 119.800 -0.742 0.000 2.046 694 Q HA 0.006 4.353 4.340 0.012 0.000 0.200 694 Q C 1.435 177.054 176.000 -0.634 0.000 0.975 694 Q CA 2.116 57.577 55.803 -0.570 0.000 0.836 694 Q CB -0.264 28.224 28.738 -0.417 0.000 0.896 694 Q HN 1.271 nan 8.270 nan 0.000 0.428 695 G N -1.589 106.546 108.800 -1.108 0.000 2.175 695 G HA2 -0.253 3.715 3.960 0.012 0.000 0.244 695 G HA3 -0.253 3.715 3.960 0.012 0.000 0.244 695 G C 0.802 175.625 174.900 -0.129 0.000 0.982 695 G CA 0.633 45.364 45.100 -0.616 0.000 0.641 695 G HN 0.582 nan 8.290 nan 0.000 0.527 696 G N 0.130 108.846 108.800 -0.139 0.000 2.572 696 G HA2 0.436 4.403 3.960 0.012 0.000 0.216 696 G HA3 0.436 4.403 3.960 0.012 0.000 0.216 696 G C 0.821 175.854 174.900 0.222 0.000 1.133 696 G CA 1.230 46.357 45.100 0.046 0.000 0.791 696 G HN 1.563 nan 8.290 nan 0.000 0.538 697 I N -4.704 115.949 120.570 0.139 0.000 3.095 697 I HA 0.536 4.713 4.170 0.012 0.000 0.310 697 I C 0.915 177.077 176.117 0.075 0.000 1.196 697 I CA -1.116 60.323 61.300 0.231 0.000 0.985 697 I CB 1.899 39.957 38.000 0.097 0.000 1.250 697 I HN -0.226 nan 8.210 nan 0.000 0.446 698 V N 2.562 122.454 119.914 -0.037 0.000 2.515 698 V HA -0.056 4.071 4.120 0.012 0.000 0.250 698 V C 0.966 176.987 176.094 -0.122 0.000 1.058 698 V CA 1.459 63.538 62.300 -0.369 0.000 1.064 698 V CB -0.919 30.687 31.823 -0.361 0.000 0.675 698 V HN 0.873 nan 8.190 nan 0.000 0.461 699 N N 0.166 118.819 118.700 -0.078 0.000 2.503 699 N HA 0.302 5.049 4.740 0.012 0.000 0.267 699 N C -0.545 175.021 175.510 0.094 0.000 1.214 699 N CA 0.317 53.249 53.050 -0.197 0.000 0.959 699 N CB 1.089 39.187 38.487 -0.648 0.000 1.142 699 N HN 0.242 nan 8.380 nan 0.000 0.455 700 S N -0.723 115.042 115.700 0.108 0.000 2.521 700 S HA 0.550 5.027 4.470 0.012 0.000 0.295 700 S C 0.736 175.546 174.600 0.350 0.000 1.098 700 S CA -0.840 57.534 58.200 0.291 0.000 0.999 700 S CB 1.192 64.484 63.200 0.154 0.000 1.034 700 S HN 0.664 nan 8.310 nan 0.000 0.483 701 G N 2.162 111.112 108.800 0.250 0.000 3.042 701 G HA2 0.184 4.151 3.960 0.012 0.000 0.212 701 G HA3 0.184 4.151 3.960 0.012 0.000 0.212 701 G C 0.558 175.432 174.900 -0.043 0.000 1.166 701 G CA 0.468 45.596 45.100 0.048 0.000 0.767 701 G HN 0.905 nan 8.290 nan 0.000 0.546 702 V N 0.279 120.222 119.914 0.048 0.000 2.715 702 V HA 0.601 4.728 4.120 0.012 0.000 0.299 702 V C 1.017 177.202 176.094 0.152 0.000 1.054 702 V CA 0.866 63.207 62.300 0.068 0.000 1.077 702 V CB 0.617 32.487 31.823 0.078 0.000 0.972 702 V HN 1.333 nan 8.190 nan 0.000 0.484 703 G N 3.547 112.512 108.800 0.275 0.000 2.509 703 G HA2 -0.038 3.929 3.960 0.012 0.000 0.256 703 G HA3 -0.038 3.929 3.960 0.012 0.000 0.256 703 G C 0.487 175.555 174.900 0.280 0.000 1.152 703 G CA 0.596 45.920 45.100 0.374 0.000 0.951 703 G HN 2.539 nan 8.290 nan 0.000 0.559 704 V N -2.635 117.459 119.914 0.301 0.000 5.827 704 V HA 0.162 4.289 4.120 0.012 0.000 0.194 704 V C 1.090 177.383 176.094 0.331 0.000 0.697 704 V CA 1.883 64.375 62.300 0.319 0.000 0.531 704 V CB -1.915 30.095 31.823 0.311 0.000 0.266 704 V HN 2.543 nan 8.190 nan 0.000 0.447 705 G N 0.623 109.662 108.800 0.398 0.000 2.828 705 G HA2 0.779 4.746 3.960 0.012 0.000 0.244 705 G HA3 0.779 4.746 3.960 0.012 0.000 0.244 705 G C -0.331 174.789 174.900 0.368 0.000 1.365 705 G CA -0.286 45.004 45.100 0.316 0.000 1.041 705 G HN 1.620 nan 8.290 nan 0.000 0.560 706 S N -2.426 113.466 115.700 0.321 0.000 2.550 706 S HA 0.600 5.077 4.470 0.012 0.000 0.270 706 S C -1.559 173.241 174.600 0.334 0.000 1.145 706 S CA -0.467 57.921 58.200 0.313 0.000 0.852 706 S CB 1.859 65.198 63.200 0.232 0.000 1.119 706 S HN 0.627 nan 8.310 nan 0.000 0.465 707 V N 3.546 123.646 119.914 0.311 0.000 2.588 707 V HA 0.793 4.920 4.120 0.012 0.000 0.304 707 V C -0.447 175.806 176.094 0.265 0.000 1.042 707 V CA -0.497 61.981 62.300 0.298 0.000 0.877 707 V CB 1.595 33.624 31.823 0.344 0.000 0.996 707 V HN 0.899 nan 8.190 nan 0.000 0.425 708 V N 2.800 122.888 119.914 0.290 0.000 3.007 708 V HA 0.831 4.958 4.120 0.012 0.000 0.311 708 V C -0.882 175.432 176.094 0.367 0.000 1.120 708 V CA -0.818 61.653 62.300 0.285 0.000 0.980 708 V CB 2.100 34.047 31.823 0.207 0.000 1.033 708 V HN 0.457 nan 8.190 nan 0.000 0.429 709 V N 2.604 122.713 119.914 0.325 0.000 2.459 709 V HA 0.589 4.716 4.120 0.012 0.000 0.295 709 V C -0.085 176.194 176.094 0.309 0.000 1.029 709 V CA -0.481 62.024 62.300 0.342 0.000 0.874 709 V CB 1.585 33.571 31.823 0.272 0.000 0.985 709 V HN 1.024 nan 8.190 nan 0.000 0.438 710 K N 4.097 124.731 120.400 0.390 0.000 2.463 710 K HA 0.386 4.713 4.320 0.012 0.000 0.255 710 K C -0.358 176.416 176.600 0.289 0.000 0.942 710 K CA -0.440 56.011 56.287 0.274 0.000 0.814 710 K CB 1.146 33.747 32.500 0.168 0.000 1.122 710 K HN 0.841 nan 8.250 nan 0.000 0.425 711 D N 2.163 122.676 120.400 0.188 0.000 3.574 711 D HA -0.349 4.298 4.640 0.012 0.000 0.153 711 D C 0.386 176.761 176.300 0.124 0.000 0.965 711 D CA 2.277 56.367 54.000 0.151 0.000 1.047 711 D CB -0.570 40.330 40.800 0.166 0.000 0.492 711 D HN 0.924 nan 8.370 nan 0.000 0.492 712 N N -0.093 118.648 118.700 0.068 0.000 2.276 712 N HA 0.164 4.911 4.740 0.012 0.000 0.212 712 N C -0.512 174.768 175.510 -0.384 0.000 1.127 712 N CA -0.039 52.924 53.050 -0.145 0.000 0.834 712 N CB 0.104 38.450 38.487 -0.234 0.000 1.014 712 N HN 0.263 nan 8.380 nan 0.000 0.491 713 Y N 0.254 120.584 120.300 0.049 0.000 2.462 713 Y HA 0.489 5.045 4.550 0.011 0.000 0.346 713 Y C -0.499 175.380 175.900 -0.035 0.000 0.976 713 Y CA -1.248 56.809 58.100 -0.072 0.000 1.044 713 Y CB 1.686 40.009 38.460 -0.228 0.000 1.230 713 Y HN -0.034 nan 8.280 nan 0.000 0.455 714 I N 2.767 123.366 120.570 0.048 0.000 2.460 714 I HA 0.447 4.624 4.170 0.012 0.000 0.298 714 I C -1.641 174.435 176.117 -0.068 0.000 0.989 714 I CA -0.860 60.526 61.300 0.143 0.000 1.173 714 I CB 1.104 39.261 38.000 0.263 0.000 1.338 714 I HN 0.579 nan 8.210 nan 0.000 0.456 715 Y N 6.559 126.961 120.300 0.168 0.000 2.331 715 Y HA 0.326 4.883 4.550 0.011 0.000 0.334 715 Y C -1.009 174.921 175.900 0.049 0.000 0.960 715 Y CA -0.605 57.569 58.100 0.123 0.000 1.130 715 Y CB 1.443 39.987 38.460 0.140 0.000 1.164 715 Y HN 0.402 nan 8.280 nan 0.000 0.458 716 Y N 4.578 124.808 120.300 -0.117 0.000 2.356 716 Y HA 0.628 5.185 4.550 0.011 0.000 0.334 716 Y C -1.353 174.653 175.900 0.176 0.000 0.958 716 Y CA -2.003 55.946 58.100 -0.252 0.000 1.196 716 Y CB 0.777 38.634 38.460 -1.006 0.000 1.137 716 Y HN 0.646 nan 8.280 nan 0.000 0.485 717 M N 8.902 128.501 119.600 -0.001 0.000 2.180 717 M HA 0.481 4.968 4.480 0.012 0.000 0.350 717 M C -1.246 174.987 176.300 -0.112 0.000 1.125 717 M CA -0.203 55.068 55.300 -0.049 0.000 1.031 717 M CB 0.756 33.330 32.600 -0.044 0.000 1.623 717 M HN 0.551 nan 8.290 nan 0.000 0.451 718 F N -0.316 119.371 119.950 -0.438 0.000 2.713 718 F HA 0.925 5.459 4.527 0.011 0.000 0.311 718 F C -0.157 175.535 175.800 -0.180 0.000 1.141 718 F CA -1.508 56.261 58.000 -0.385 0.000 0.939 718 F CB 0.725 39.280 39.000 -0.742 0.000 1.325 718 F HN 0.561 nan 8.300 nan 0.000 0.453 719 G N -0.396 108.314 108.800 -0.151 0.000 2.507 719 G HA2 0.564 4.531 3.960 0.012 0.000 0.271 719 G HA3 0.564 4.531 3.960 0.012 0.000 0.271 719 G C -0.669 174.100 174.900 -0.217 0.000 1.189 719 G CA -0.430 44.545 45.100 -0.208 0.000 0.859 719 G HN 1.298 nan 8.290 nan 0.000 0.542 720 G N -0.130 108.587 108.800 -0.138 0.000 2.742 720 G HA2 0.588 4.555 3.960 0.012 0.000 0.296 720 G HA3 0.588 4.555 3.960 0.012 0.000 0.296 720 G C -0.763 174.070 174.900 -0.110 0.000 1.436 720 G CA -0.611 44.349 45.100 -0.233 0.000 0.928 720 G HN 0.568 nan 8.290 nan 0.000 0.520 721 E N -0.577 119.509 120.200 -0.191 0.000 2.803 721 E HA 0.613 4.970 4.350 0.012 0.000 0.250 721 E C -0.643 175.799 176.600 -0.264 0.000 1.102 721 E CA -0.667 55.603 56.400 -0.216 0.000 1.017 721 E CB 1.288 30.839 29.700 -0.249 0.000 1.346 721 E HN 0.648 nan 8.360 nan 0.000 0.532 722 D N -1.935 118.276 120.400 -0.316 0.000 2.798 722 D HA 0.166 4.813 4.640 0.012 0.000 0.308 722 D C 0.132 176.125 176.300 -0.512 0.000 1.187 722 D CA -0.558 53.179 54.000 -0.439 0.000 1.033 722 D CB 0.170 40.768 40.800 -0.337 0.000 1.445 722 D HN 0.320 nan 8.370 nan 0.000 0.550 723 H N -1.093 117.706 119.070 -0.451 0.000 2.533 723 H HA 0.207 4.770 4.556 0.012 0.000 0.271 723 H C -0.288 174.859 175.328 -0.301 0.000 1.000 723 H CA -0.040 55.784 56.048 -0.373 0.000 1.149 723 H CB -0.247 29.322 29.762 -0.323 0.000 1.375 723 H HN 0.167 nan 8.280 nan 0.000 0.582 724 F N 1.972 121.855 119.950 -0.112 0.000 2.434 724 F HA 0.084 4.618 4.527 0.012 0.000 0.358 724 F C 1.219 176.785 175.800 -0.390 0.000 1.136 724 F CA -1.088 56.799 58.000 -0.188 0.000 1.157 724 F CB -0.059 38.858 39.000 -0.139 0.000 1.167 724 F HN -0.017 nan 8.300 nan 0.000 0.539 725 N N 6.168 124.588 118.700 -0.467 0.000 2.454 725 N HA -0.002 4.745 4.740 0.012 0.000 0.260 725 N C -1.504 173.384 175.510 -1.037 0.000 1.218 725 N CA -0.945 51.556 53.050 -0.915 0.000 0.904 725 N CB 1.217 38.678 38.487 -1.710 0.000 1.065 725 N HN 0.216 nan 8.380 nan 0.000 0.462 726 P HA -0.039 nan 4.420 nan 0.000 0.237 726 P C -0.469 176.670 177.300 -0.267 0.000 1.178 726 P CA 0.511 63.372 63.100 -0.398 0.000 0.766 726 P CB -0.192 31.460 31.700 -0.080 0.000 0.876 727 W N -1.511 119.786 121.300 -0.006 0.000 4.849 727 W HA -0.205 4.462 4.660 0.012 0.000 0.358 727 W C 1.199 177.707 176.519 -0.019 0.000 1.331 727 W CA 0.214 57.562 57.345 0.005 0.000 0.844 727 W CB -3.160 26.298 29.460 -0.003 0.000 2.434 727 W HN -0.069 nan 8.180 nan 0.000 1.458 728 T N -1.253 113.331 114.554 0.050 0.000 2.665 728 T HA -0.245 4.112 4.350 0.012 0.000 0.268 728 T C 0.503 175.119 174.700 -0.140 0.000 1.035 728 T CA 1.645 63.674 62.100 -0.118 0.000 1.151 728 T CB -0.291 68.369 68.868 -0.347 0.000 0.862 728 T HN 0.223 nan 8.240 nan 0.000 0.438 729 Y N 1.235 121.653 120.300 0.197 0.000 2.676 729 Y HA 0.548 5.106 4.550 0.012 0.000 0.338 729 Y C 0.987 177.033 175.900 0.243 0.000 1.057 729 Y CA -0.599 57.609 58.100 0.181 0.000 1.314 729 Y CB 0.639 39.193 38.460 0.157 0.000 1.164 729 Y HN 0.328 nan 8.280 nan 0.000 0.509 730 G N 1.766 110.748 108.800 0.302 0.000 2.441 730 G HA2 -0.105 3.862 3.960 0.012 0.000 0.222 730 G HA3 -0.105 3.862 3.960 0.012 0.000 0.222 730 G C -0.833 174.144 174.900 0.130 0.000 1.254 730 G CA -0.236 44.995 45.100 0.217 0.000 0.959 730 G HN 0.422 nan 8.290 nan 0.000 0.474 731 D N -0.576 119.862 120.400 0.063 0.000 2.328 731 D HA 0.077 4.724 4.640 0.012 0.000 0.226 731 D C 0.637 176.982 176.300 0.075 0.000 1.066 731 D CA 0.334 54.352 54.000 0.030 0.000 0.861 731 D CB -0.048 40.720 40.800 -0.054 0.000 0.912 731 D HN 0.402 nan 8.370 nan 0.000 0.521 732 N N 0.186 118.967 118.700 0.135 0.000 2.610 732 N HA 0.018 4.765 4.740 0.012 0.000 0.307 732 N C 0.655 176.227 175.510 0.103 0.000 1.813 732 N CA 0.069 53.191 53.050 0.120 0.000 0.901 732 N CB 0.517 39.089 38.487 0.142 0.000 1.354 732 N HN 0.089 nan 8.380 nan 0.000 0.491 733 S N -0.933 114.820 115.700 0.088 0.000 2.442 733 S HA -0.102 4.375 4.470 0.012 0.000 0.236 733 S C 1.932 176.571 174.600 0.066 0.000 1.007 733 S CA 0.765 59.003 58.200 0.064 0.000 0.965 733 S CB -0.038 63.207 63.200 0.074 0.000 0.773 733 S HN 0.388 nan 8.310 nan 0.000 0.504 734 A N 1.756 124.621 122.820 0.076 0.000 2.121 734 A HA 0.118 4.445 4.320 0.012 0.000 0.218 734 A C 1.177 178.826 177.584 0.108 0.000 1.154 734 A CA 0.901 52.987 52.037 0.082 0.000 0.679 734 A CB -0.679 18.368 19.000 0.079 0.000 0.795 734 A HN 0.591 nan 8.150 nan 0.000 0.458 735 K N -0.442 120.035 120.400 0.129 0.000 3.129 735 K HA -0.175 4.152 4.320 0.012 0.000 0.273 735 K C -0.545 176.183 176.600 0.213 0.000 1.123 735 K CA 0.716 57.139 56.287 0.227 0.000 0.800 735 K CB -1.675 30.987 32.500 0.270 0.000 1.238 735 K HN 0.629 nan 8.250 nan 0.000 0.492 736 D N 0.807 121.264 120.400 0.095 0.000 2.412 736 D HA 0.040 4.687 4.640 0.012 0.000 0.257 736 D C -1.393 174.829 176.300 -0.130 0.000 1.217 736 D CA -1.957 52.070 54.000 0.044 0.000 0.897 736 D CB 1.053 41.899 40.800 0.077 0.000 1.132 736 D HN -0.034 nan 8.370 nan 0.000 0.493 737 P HA -0.080 nan 4.420 nan 0.000 0.221 737 P C 0.540 177.379 177.300 -0.768 0.000 1.145 737 P CA 0.881 63.560 63.100 -0.700 0.000 0.795 737 P CB 0.009 30.940 31.700 -1.282 0.000 0.775 738 F N -0.801 119.099 119.950 -0.084 0.000 2.765 738 F HA 0.162 4.696 4.527 0.012 0.000 0.302 738 F C 1.032 176.812 175.800 -0.034 0.000 1.111 738 F CA -0.041 57.923 58.000 -0.059 0.000 1.359 738 F CB -0.555 38.428 39.000 -0.028 0.000 1.097 738 F HN -0.281 nan 8.300 nan 0.000 0.577 739 K N 0.209 120.635 120.400 0.044 0.000 2.172 739 K HA 0.387 4.714 4.320 0.012 0.000 0.276 739 K C 0.955 177.562 176.600 0.012 0.000 1.013 739 K CA 0.110 56.422 56.287 0.042 0.000 0.913 739 K CB 1.604 34.132 32.500 0.046 0.000 1.055 739 K HN 0.071 nan 8.250 nan 0.000 0.461 740 S N 1.721 117.439 115.700 0.031 0.000 3.949 740 S HA -0.237 4.240 4.470 0.012 0.000 0.626 740 S C 0.381 174.951 174.600 -0.049 0.000 2.168 740 S CA 1.574 59.794 58.200 0.033 0.000 4.124 740 S CB -0.958 62.352 63.200 0.184 0.000 0.220 740 S HN 0.867 nan 8.310 nan 0.000 0.750 741 D N 2.817 123.159 120.400 -0.097 0.000 2.328 741 D HA 0.355 5.002 4.640 0.012 0.000 0.221 741 D C 1.350 177.536 176.300 -0.190 0.000 1.072 741 D CA 1.154 55.031 54.000 -0.206 0.000 0.850 741 D CB -0.307 40.262 40.800 -0.384 0.000 0.922 741 D HN 0.964 nan 8.370 nan 0.000 0.516 742 G N 1.262 109.922 108.800 -0.232 0.000 2.594 742 G HA2 -0.294 3.674 3.960 0.012 0.000 0.297 742 G HA3 -0.294 3.674 3.960 0.012 0.000 0.297 742 G C -0.379 174.222 174.900 -0.498 0.000 1.273 742 G CA -0.098 44.756 45.100 -0.410 0.000 0.974 742 G HN 0.485 nan 8.290 nan 0.000 0.552 743 H N 2.191 121.189 119.070 -0.120 0.000 2.467 743 H HA 0.449 5.012 4.556 0.012 0.000 0.326 743 H C -1.105 174.110 175.328 -0.188 0.000 1.094 743 H CA -1.211 54.756 56.048 -0.136 0.000 1.253 743 H CB 1.874 31.602 29.762 -0.056 0.000 1.439 743 H HN 0.321 nan 8.280 nan 0.000 0.479 744 P HA -0.105 nan 4.420 nan 0.000 0.226 744 P C 0.467 177.633 177.300 -0.224 0.000 1.153 744 P CA 0.524 63.534 63.100 -0.150 0.000 0.777 744 P CB 0.432 32.019 31.700 -0.188 0.000 0.794 745 S N 0.600 116.061 115.700 -0.398 0.000 2.510 745 S HA 0.175 4.652 4.470 0.012 0.000 0.279 745 S C -0.132 174.307 174.600 -0.267 0.000 1.284 745 S CA -0.083 57.864 58.200 -0.422 0.000 1.059 745 S CB -0.239 62.476 63.200 -0.809 0.000 0.901 745 S HN -0.028 nan 8.310 nan 0.000 0.491 746 D N 2.341 122.608 120.400 -0.221 0.000 2.579 746 D HA 0.393 5.040 4.640 0.012 0.000 0.257 746 D C -0.776 175.288 176.300 -0.395 0.000 1.176 746 D CA -0.478 53.340 54.000 -0.304 0.000 0.914 746 D CB 1.429 42.035 40.800 -0.324 0.000 1.431 746 D HN 0.413 nan 8.370 nan 0.000 0.454 747 L N 1.019 121.885 121.223 -0.594 0.000 2.343 747 L HA 0.458 4.805 4.340 0.012 0.000 0.275 747 L C -0.796 175.538 176.870 -0.893 0.000 1.056 747 L CA -0.565 53.901 54.840 -0.624 0.000 0.804 747 L CB 0.596 42.263 42.059 -0.654 0.000 1.203 747 L HN 0.309 nan 8.230 nan 0.000 0.440 748 Y N 0.336 120.216 120.300 -0.700 0.000 2.605 748 Y HA 0.536 5.093 4.550 0.012 0.000 0.343 748 Y C -0.323 175.275 175.900 -0.502 0.000 1.036 748 Y CA -0.757 56.961 58.100 -0.637 0.000 1.065 748 Y CB 2.096 40.049 38.460 -0.844 0.000 1.288 748 Y HN 0.488 nan 8.280 nan 0.000 0.481 749 C N 2.219 121.510 119.300 -0.015 0.000 2.516 749 C HA 0.488 4.955 4.460 0.012 0.000 0.338 749 C C -1.528 173.719 174.990 0.428 0.000 1.132 749 C CA -0.823 58.294 59.018 0.166 0.000 1.310 749 C CB -0.763 26.978 27.740 0.002 0.000 1.898 749 C HN 0.779 nan 8.230 nan 0.000 0.452 750 Y N 4.984 125.526 120.300 0.404 0.000 2.365 750 Y HA 0.446 5.003 4.550 0.012 0.000 0.340 750 Y C 0.344 176.362 175.900 0.198 0.000 1.016 750 Y CA 0.377 58.676 58.100 0.332 0.000 1.196 750 Y CB 0.471 39.118 38.460 0.312 0.000 1.167 750 Y HN 0.735 nan 8.280 nan 0.000 0.509 751 K N 8.130 128.405 120.400 -0.208 0.000 2.293 751 K HA 0.410 4.737 4.320 0.012 0.000 0.267 751 K C -1.295 175.161 176.600 -0.241 0.000 1.010 751 K CA -0.652 55.480 56.287 -0.260 0.000 0.875 751 K CB 0.667 33.066 32.500 -0.168 0.000 1.106 751 K HN 0.841 nan 8.250 nan 0.000 0.450 752 M N 4.636 124.224 119.600 -0.020 0.000 2.253 752 M HA 0.269 4.756 4.480 0.012 0.000 0.314 752 M C -1.109 175.264 176.300 0.123 0.000 1.019 752 M CA -0.791 54.587 55.300 0.131 0.000 0.932 752 M CB 1.526 34.291 32.600 0.274 0.000 1.606 752 M HN 0.534 nan 8.290 nan 0.000 0.430 753 K N 3.303 123.748 120.400 0.074 0.000 2.368 753 K HA 0.172 4.499 4.320 0.012 0.000 0.282 753 K C -0.119 176.369 176.600 -0.186 0.000 1.035 753 K CA 0.117 56.255 56.287 -0.248 0.000 0.973 753 K CB 0.659 33.030 32.500 -0.216 0.000 0.957 753 K HN 0.739 nan 8.250 nan 0.000 0.474 754 I N 2.377 122.797 120.570 -0.249 0.000 4.338 754 I HA 0.299 4.476 4.170 0.012 0.000 0.329 754 I C 0.144 176.188 176.117 -0.122 0.000 1.378 754 I CA 0.042 61.270 61.300 -0.121 0.000 1.170 754 I CB 1.178 39.152 38.000 -0.044 0.000 1.206 754 I HN 0.759 nan 8.210 nan 0.000 0.432 755 G N 0.316 109.003 108.800 -0.188 0.000 2.559 755 G HA2 0.463 4.430 3.960 0.012 0.000 0.291 755 G HA3 0.463 4.430 3.960 0.012 0.000 0.291 755 G C -3.118 171.686 174.900 -0.159 0.000 1.424 755 G CA -0.799 44.220 45.100 -0.136 0.000 0.786 755 G HN -0.274 nan 8.290 nan 0.000 0.485 756 P HA 0.181 nan 4.420 nan 0.000 0.268 756 P C -1.154 176.102 177.300 -0.073 0.000 1.205 756 P CA 0.120 63.174 63.100 -0.077 0.000 0.771 756 P CB 1.235 32.909 31.700 -0.043 0.000 0.858 757 D N 2.283 122.654 120.400 -0.048 0.000 2.460 757 D HA 0.135 4.782 4.640 0.012 0.000 0.232 757 D C -0.065 176.245 176.300 0.017 0.000 1.079 757 D CA -0.331 53.669 54.000 0.000 0.000 0.864 757 D CB -0.183 40.644 40.800 0.045 0.000 1.048 757 D HN 0.177 nan 8.370 nan 0.000 0.523 758 N N 2.274 120.985 118.700 0.018 0.000 2.322 758 N HA 0.112 4.859 4.740 0.012 0.000 0.216 758 N C 0.130 175.655 175.510 0.025 0.000 1.144 758 N CA -0.030 53.031 53.050 0.017 0.000 0.830 758 N CB 0.665 39.159 38.487 0.012 0.000 1.034 758 N HN 0.082 nan 8.380 nan 0.000 0.484 759 R N 0.003 120.525 120.500 0.037 0.000 2.854 759 R HA 0.453 4.800 4.340 0.012 0.000 0.271 759 R C -0.450 175.875 176.300 0.042 0.000 0.996 759 R CA -0.907 55.217 56.100 0.039 0.000 0.961 759 R CB 1.929 32.258 30.300 0.047 0.000 1.182 759 R HN -0.075 nan 8.270 nan 0.000 0.479 760 V N 1.270 121.206 119.914 0.036 0.000 3.096 760 V HA -0.052 4.075 4.120 0.012 0.000 0.306 760 V C 0.785 176.906 176.094 0.046 0.000 1.088 760 V CA 0.335 62.657 62.300 0.037 0.000 1.129 760 V CB 1.604 33.445 31.823 0.030 0.000 1.014 760 V HN 0.792 nan 8.190 nan 0.000 0.486 761 S N 2.232 117.959 115.700 0.046 0.000 2.558 761 S HA 0.052 4.529 4.470 0.012 0.000 0.293 761 S C 0.942 175.574 174.600 0.053 0.000 1.292 761 S CA -0.125 58.105 58.200 0.049 0.000 1.063 761 S CB 0.061 63.287 63.200 0.043 0.000 0.831 761 S HN 0.626 nan 8.310 nan 0.000 0.499 762 R N 2.020 122.548 120.500 0.048 0.000 2.334 762 R HA 0.277 4.624 4.340 0.012 0.000 0.216 762 R C -0.352 175.997 176.300 0.081 0.000 0.905 762 R CA -0.043 56.099 56.100 0.069 0.000 1.064 762 R CB -0.034 30.295 30.300 0.049 0.000 1.046 762 R HN 0.542 nan 8.270 nan 0.000 0.508 763 D N 0.890 121.299 120.400 0.015 0.000 2.455 763 D HA 0.076 4.723 4.640 0.012 0.000 0.241 763 D C -0.244 176.080 176.300 0.039 0.000 1.138 763 D CA 0.619 54.576 54.000 -0.072 0.000 0.877 763 D CB 0.400 41.172 40.800 -0.046 0.000 1.187 763 D HN 0.023 nan 8.370 nan 0.000 0.451 764 F N -0.933 119.049 119.950 0.053 0.000 2.613 764 F HA 0.538 5.072 4.527 0.011 0.000 0.314 764 F C -0.153 175.696 175.800 0.082 0.000 1.075 764 F CA -1.483 56.548 58.000 0.052 0.000 0.945 764 F CB 1.312 40.335 39.000 0.039 0.000 1.310 764 F HN -0.005 nan 8.300 nan 0.000 0.467 765 R N 1.706 122.399 120.500 0.322 0.000 2.297 765 R HA 0.272 4.619 4.340 0.012 0.000 0.308 765 R C -1.681 174.861 176.300 0.403 0.000 1.029 765 R CA -0.685 55.574 56.100 0.266 0.000 0.929 765 R CB 0.788 31.178 30.300 0.150 0.000 1.046 765 R HN 0.923 nan 8.270 nan 0.000 0.461 766 Y N 3.169 123.637 120.300 0.279 0.000 2.486 766 Y HA 0.267 4.823 4.550 0.011 0.000 0.348 766 Y C 0.675 176.648 175.900 0.122 0.000 1.000 766 Y CA 0.509 58.759 58.100 0.249 0.000 1.253 766 Y CB 1.231 39.838 38.460 0.246 0.000 1.140 766 Y HN 0.833 nan 8.280 nan 0.000 0.526 767 G N 4.226 112.917 108.800 -0.182 0.000 3.441 767 G HA2 0.394 4.361 3.960 0.012 0.000 0.263 767 G HA3 0.394 4.361 3.960 0.012 0.000 0.263 767 G C 0.114 174.865 174.900 -0.248 0.000 1.014 767 G CA 0.291 45.312 45.100 -0.131 0.000 0.833 767 G HN 0.837 nan 8.290 nan 0.000 0.514 768 A N 0.005 122.485 122.820 -0.567 0.000 2.287 768 A HA 0.642 4.969 4.320 0.012 0.000 0.273 768 A C 0.109 177.581 177.584 -0.186 0.000 1.091 768 A CA -0.266 51.523 52.037 -0.413 0.000 0.817 768 A CB 0.901 19.579 19.000 -0.536 0.000 1.069 768 A HN 0.271 nan 8.150 nan 0.000 0.492 769 V N 2.515 122.382 119.914 -0.079 0.000 2.470 769 V HA 0.190 4.317 4.120 0.012 0.000 0.276 769 V C -2.013 174.118 176.094 0.061 0.000 1.040 769 V CA -0.825 61.483 62.300 0.013 0.000 1.008 769 V CB 0.537 32.352 31.823 -0.013 0.000 0.990 769 V HN 0.731 nan 8.190 nan 0.000 0.477 770 P HA 0.128 nan 4.420 nan 0.000 0.265 770 P C 0.108 177.439 177.300 0.052 0.000 1.222 770 P CA 0.393 63.602 63.100 0.182 0.000 0.767 770 P CB 0.125 31.910 31.700 0.141 0.000 0.801 771 N N 2.389 121.105 118.700 0.025 0.000 2.387 771 N HA 0.091 4.838 4.740 0.012 0.000 0.259 771 N C 0.697 176.192 175.510 -0.025 0.000 1.369 771 N CA -0.271 52.745 53.050 -0.057 0.000 0.867 771 N CB 0.283 38.686 38.487 -0.140 0.000 1.341 771 N HN 0.071 nan 8.380 nan 0.000 0.495 772 R N 0.006 120.508 120.500 0.005 0.000 2.142 772 R HA 0.284 4.631 4.340 0.012 0.000 0.204 772 R C 1.901 178.194 176.300 -0.011 0.000 1.059 772 R CA 0.507 56.612 56.100 0.008 0.000 1.055 772 R CB -0.741 29.566 30.300 0.013 0.000 0.976 772 R HN 0.134 nan 8.270 nan 0.000 0.483 773 A N 0.833 123.641 122.820 -0.021 0.000 1.872 773 A HA 0.048 4.375 4.320 0.012 0.000 0.214 773 A C 0.778 178.330 177.584 -0.054 0.000 1.187 773 A CA 0.902 52.913 52.037 -0.043 0.000 0.614 773 A CB 0.172 19.149 19.000 -0.039 0.000 0.826 773 A HN 0.024 nan 8.150 nan 0.000 0.442 774 V N 1.440 121.328 119.914 -0.043 0.000 2.320 774 V HA 0.272 4.399 4.120 0.012 0.000 0.268 774 V C -2.892 173.171 176.094 -0.051 0.000 1.021 774 V CA -1.532 60.744 62.300 -0.039 0.000 0.813 774 V CB 0.902 32.708 31.823 -0.028 0.000 1.054 774 V HN 0.188 nan 8.190 nan 0.000 0.444 775 P HA 0.203 nan 4.420 nan 0.000 0.269 775 P C -0.445 176.750 177.300 -0.175 0.000 1.252 775 P CA 0.303 63.359 63.100 -0.073 0.000 0.780 775 P CB 0.822 32.618 31.700 0.161 0.000 0.829 776 V N 5.405 125.041 119.914 -0.464 0.000 2.513 776 V HA 0.530 4.657 4.120 0.012 0.000 0.299 776 V C -0.283 175.282 176.094 -0.882 0.000 1.035 776 V CA -0.352 61.688 62.300 -0.433 0.000 0.889 776 V CB 1.097 32.756 31.823 -0.275 0.000 0.988 776 V HN 0.314 nan 8.190 nan 0.000 0.440 777 F N 2.821 122.749 119.950 -0.037 0.000 2.561 777 F HA 0.575 5.109 4.527 0.012 0.000 0.313 777 F C -0.434 175.365 175.800 -0.002 0.000 1.126 777 F CA -0.678 57.342 58.000 0.033 0.000 0.918 777 F CB 1.575 40.593 39.000 0.030 0.000 1.199 777 F HN 0.265 nan 8.300 nan 0.000 0.444 778 F N 2.809 122.834 119.950 0.125 0.000 2.472 778 F HA 0.176 4.710 4.527 0.011 0.000 0.364 778 F C 0.833 176.691 175.800 0.096 0.000 1.090 778 F CA -0.616 57.432 58.000 0.080 0.000 1.188 778 F CB 0.190 39.215 39.000 0.043 0.000 1.105 778 F HN 0.485 nan 8.300 nan 0.000 0.536 779 D N 0.232 120.743 120.400 0.183 0.000 2.393 779 D HA -0.000 4.647 4.640 0.012 0.000 0.246 779 D C 1.267 177.641 176.300 0.123 0.000 1.275 779 D CA -0.030 54.046 54.000 0.127 0.000 0.979 779 D CB -0.019 40.823 40.800 0.069 0.000 1.101 779 D HN 0.517 nan 8.370 nan 0.000 0.505 780 T N -3.244 111.356 114.554 0.077 0.000 3.072 780 T HA -0.131 4.226 4.350 0.012 0.000 0.266 780 T C 1.215 175.950 174.700 0.058 0.000 1.127 780 T CA 0.923 63.059 62.100 0.061 0.000 1.107 780 T CB -0.469 68.421 68.868 0.037 0.000 0.910 780 T HN 0.413 nan 8.240 nan 0.000 0.513 781 N N 0.917 119.653 118.700 0.061 0.000 2.322 781 N HA 0.232 4.979 4.740 0.012 0.000 0.194 781 N C 1.342 176.901 175.510 0.081 0.000 1.126 781 N CA 0.642 53.725 53.050 0.055 0.000 0.845 781 N CB -0.340 38.170 38.487 0.038 0.000 0.976 781 N HN 0.570 nan 8.380 nan 0.000 0.475 782 G N -0.624 108.255 108.800 0.132 0.000 2.136 782 G HA2 -0.228 3.739 3.960 0.012 0.000 0.242 782 G HA3 -0.228 3.739 3.960 0.012 0.000 0.242 782 G C -0.410 174.642 174.900 0.254 0.000 0.989 782 G CA 0.466 45.699 45.100 0.221 0.000 0.682 782 G HN 0.204 nan 8.290 nan 0.000 0.522 783 V N 0.738 120.720 119.914 0.113 0.000 2.435 783 V HA 0.476 4.603 4.120 0.012 0.000 0.290 783 V C 1.083 177.065 176.094 -0.186 0.000 1.030 783 V CA -1.073 61.215 62.300 -0.021 0.000 0.881 783 V CB 1.520 33.337 31.823 -0.011 0.000 0.983 783 V HN 0.407 nan 8.190 nan 0.000 0.445 784 R N 2.489 122.727 120.500 -0.436 0.000 2.502 784 R HA 0.280 4.627 4.340 0.012 0.000 0.292 784 R C -0.195 175.981 176.300 -0.207 0.000 0.998 784 R CA 0.388 56.173 56.100 -0.525 0.000 1.056 784 R CB 0.061 30.052 30.300 -0.515 0.000 0.939 784 R HN 0.725 nan 8.270 nan 0.000 0.411 785 T N 2.473 116.964 114.554 -0.106 0.000 2.841 785 T HA 0.284 4.641 4.350 0.012 0.000 0.285 785 T C -0.636 174.119 174.700 0.091 0.000 0.991 785 T CA -0.663 61.445 62.100 0.014 0.000 0.966 785 T CB 1.759 70.664 68.868 0.062 0.000 0.962 785 T HN 0.162 nan 8.240 nan 0.000 0.438 786 V N 6.264 126.221 119.914 0.071 0.000 2.311 786 V HA 0.289 4.416 4.120 0.012 0.000 0.275 786 V C -1.518 174.639 176.094 0.104 0.000 1.022 786 V CA -1.355 61.008 62.300 0.105 0.000 0.830 786 V CB 1.182 33.047 31.823 0.071 0.000 1.012 786 V HN 0.756 nan 8.190 nan 0.000 0.452 787 P HA 0.226 nan 4.420 nan 0.000 0.245 787 P C 0.492 177.821 177.300 0.048 0.000 1.203 787 P CA 0.181 63.320 63.100 0.064 0.000 0.792 787 P CB 0.414 32.126 31.700 0.018 0.000 0.997 788 A N 2.124 124.983 122.820 0.064 0.000 2.371 788 A HA 0.461 4.788 4.320 0.012 0.000 0.257 788 A C -1.975 175.623 177.584 0.023 0.000 1.089 788 A CA -1.097 50.960 52.037 0.033 0.000 0.794 788 A CB -0.706 18.310 19.000 0.027 0.000 1.029 788 A HN 0.055 nan 8.150 nan 0.000 0.488 789 P HA 0.347 nan 4.420 nan 0.000 0.271 789 P C -0.755 176.537 177.300 -0.013 0.000 1.216 789 P CA 0.367 63.470 63.100 0.006 0.000 0.776 789 P CB 0.682 32.379 31.700 -0.006 0.000 0.881 790 M N 1.361 120.964 119.600 0.005 0.000 2.531 790 M HA 0.305 4.792 4.480 0.012 0.000 0.286 790 M C -0.491 175.788 176.300 -0.036 0.000 1.232 790 M CA -0.681 54.581 55.300 -0.062 0.000 0.877 790 M CB 3.083 35.641 32.600 -0.070 0.000 1.726 790 M HN 0.198 nan 8.290 nan 0.000 0.463 791 E N 1.939 122.046 120.200 -0.155 0.000 2.176 791 E HA 0.472 4.829 4.350 0.012 0.000 0.267 791 E C -1.659 174.810 176.600 -0.218 0.000 0.893 791 E CA -0.204 56.152 56.400 -0.074 0.000 0.761 791 E CB 1.828 31.496 29.700 -0.053 0.000 1.133 791 E HN 0.416 nan 8.360 nan 0.000 0.409 792 F N 1.165 121.102 119.950 -0.022 0.000 2.375 792 F HA 0.139 4.674 4.527 0.012 0.000 0.361 792 F C 1.603 177.394 175.800 -0.015 0.000 1.117 792 F CA -0.423 57.558 58.000 -0.032 0.000 1.037 792 F CB 1.509 40.488 39.000 -0.035 0.000 1.192 792 F HN 0.337 nan 8.300 nan 0.000 0.452 793 T N -0.850 113.764 114.554 0.100 0.000 3.037 793 T HA 0.252 4.609 4.350 0.012 0.000 0.251 793 T C 1.001 175.749 174.700 0.080 0.000 1.079 793 T CA 0.105 62.261 62.100 0.093 0.000 1.067 793 T CB -0.038 68.888 68.868 0.096 0.000 0.948 793 T HN 0.552 nan 8.240 nan 0.000 0.496 794 G N 1.130 109.965 108.800 0.058 0.000 2.539 794 G HA2 0.428 4.395 3.960 0.012 0.000 0.258 794 G HA3 0.428 4.395 3.960 0.012 0.000 0.258 794 G C -0.877 174.055 174.900 0.054 0.000 1.202 794 G CA -0.643 44.477 45.100 0.033 0.000 0.851 794 G HN 0.226 nan 8.290 nan 0.000 0.556 795 D N -0.404 120.021 120.400 0.042 0.000 2.493 795 D HA 0.166 4.813 4.640 0.012 0.000 0.240 795 D C -0.105 176.204 176.300 0.014 0.000 1.142 795 D CA 0.338 54.357 54.000 0.032 0.000 0.872 795 D CB 1.412 42.231 40.800 0.032 0.000 1.173 795 D HN -0.077 nan 8.370 nan 0.000 0.467 796 L N 1.765 122.984 121.223 -0.006 0.000 2.341 796 L HA 0.537 4.884 4.340 0.012 0.000 0.278 796 L C 0.520 177.362 176.870 -0.047 0.000 1.005 796 L CA -0.553 54.258 54.840 -0.048 0.000 0.818 796 L CB 1.964 43.961 42.059 -0.103 0.000 1.259 796 L HN 0.380 nan 8.230 nan 0.000 0.418 797 G N 4.834 113.603 108.800 -0.051 0.000 2.417 797 G HA2 0.646 4.613 3.960 0.012 0.000 0.320 797 G HA3 0.646 4.613 3.960 0.012 0.000 0.320 797 G C -1.069 173.792 174.900 -0.065 0.000 1.204 797 G CA -0.402 44.671 45.100 -0.045 0.000 0.923 797 G HN 0.459 nan 8.290 nan 0.000 0.466 798 L N 1.863 123.046 121.223 -0.067 0.000 2.322 798 L HA 0.715 5.062 4.340 0.012 0.000 0.269 798 L C 1.189 178.028 176.870 -0.052 0.000 1.012 798 L CA -1.002 53.793 54.840 -0.075 0.000 0.815 798 L CB 2.014 44.017 42.059 -0.094 0.000 1.295 798 L HN 0.646 nan 8.230 nan 0.000 0.438 799 G N -1.265 107.513 108.800 -0.037 0.000 3.137 799 G HA2 0.058 4.025 3.960 0.012 0.000 0.163 799 G HA3 0.058 4.025 3.960 0.012 0.000 0.163 799 G C -0.262 174.642 174.900 0.007 0.000 1.602 799 G CA -0.252 44.844 45.100 -0.006 0.000 1.067 799 G HN 0.635 nan 8.290 nan 0.000 0.568 800 H N -0.175 118.868 119.070 -0.044 0.000 2.886 800 H HA 0.298 4.861 4.556 0.012 0.000 0.329 800 H C -0.894 174.407 175.328 -0.046 0.000 1.044 800 H CA 0.250 56.272 56.048 -0.044 0.000 1.456 800 H CB 0.555 30.295 29.762 -0.037 0.000 1.464 800 H HN -0.026 nan 8.280 nan 0.000 0.573 801 V N 5.424 125.080 119.914 -0.430 0.000 2.540 801 V HA 0.206 4.333 4.120 0.012 0.000 0.302 801 V C -0.001 175.929 176.094 -0.275 0.000 1.035 801 V CA -0.709 61.452 62.300 -0.231 0.000 0.873 801 V CB 2.076 33.795 31.823 -0.174 0.000 0.992 801 V HN 0.848 nan 8.190 nan 0.000 0.428 802 T N 5.802 120.312 114.554 -0.073 0.000 2.792 802 T HA 0.571 4.928 4.350 0.012 0.000 0.280 802 T C -0.434 174.251 174.700 -0.024 0.000 0.990 802 T CA -0.334 61.752 62.100 -0.023 0.000 0.960 802 T CB 1.078 69.989 68.868 0.072 0.000 0.939 802 T HN 0.319 nan 8.240 nan 0.000 0.439 803 I N 3.989 124.543 120.570 -0.027 0.000 2.304 803 I HA 0.338 4.515 4.170 0.012 0.000 0.291 803 I C 0.859 176.973 176.117 -0.004 0.000 1.018 803 I CA -0.596 60.694 61.300 -0.018 0.000 1.260 803 I CB 0.526 38.514 38.000 -0.020 0.000 1.390 803 I HN 0.437 nan 8.210 nan 0.000 0.475 804 R N 3.710 124.210 120.500 -0.000 0.000 2.577 804 R HA 0.583 4.930 4.340 0.012 0.000 0.269 804 R C 0.119 176.421 176.300 0.003 0.000 1.084 804 R CA -0.718 55.384 56.100 0.004 0.000 1.163 804 R CB 0.877 31.180 30.300 0.005 0.000 1.100 804 R HN 0.695 nan 8.270 nan 0.000 0.547 805 A N 0.928 123.750 122.820 0.004 0.000 2.546 805 A HA 0.086 4.413 4.320 0.012 0.000 0.243 805 A C 0.899 178.484 177.584 0.003 0.000 1.063 805 A CA 0.483 52.522 52.037 0.003 0.000 0.757 805 A CB 0.022 19.024 19.000 0.003 0.000 0.991 805 A HN 0.881 nan 8.150 nan 0.000 0.503 806 S N 0.514 116.216 115.700 0.003 0.000 2.560 806 S HA 0.226 4.703 4.470 0.012 0.000 0.281 806 S C 0.318 174.920 174.600 0.004 0.000 1.075 806 S CA 0.521 58.724 58.200 0.003 0.000 1.295 806 S CB 0.256 63.459 63.200 0.005 0.000 1.156 806 S HN 0.691 nan 8.310 nan 0.000 0.627 807 T N 1.962 116.519 114.554 0.004 0.000 2.886 807 T HA 0.686 5.043 4.350 0.012 0.000 0.292 807 T C -0.660 174.042 174.700 0.004 0.000 1.012 807 T CA 0.177 62.280 62.100 0.004 0.000 0.982 807 T CB 1.510 70.381 68.868 0.006 0.000 1.018 807 T HN 0.609 nan 8.240 nan 0.000 0.451 808 S N 2.603 118.305 115.700 0.004 0.000 3.681 808 S HA -0.194 4.283 4.470 0.012 0.000 0.473 808 S C 0.681 175.283 174.600 0.002 0.000 0.830 808 S CA 0.780 58.981 58.200 0.003 0.000 1.355 808 S CB -1.667 61.535 63.200 0.004 0.000 0.892 808 S HN 1.313 nan 8.310 nan 0.000 0.649 809 S N 1.591 117.292 115.700 0.002 0.000 3.587 809 S HA -0.222 4.255 4.470 0.012 0.000 0.337 809 S C 0.515 175.116 174.600 0.001 0.000 1.119 809 S CA 1.108 59.308 58.200 0.001 0.000 0.976 809 S CB -1.412 61.788 63.200 0.001 0.000 0.922 809 S HN 1.233 nan 8.310 nan 0.000 0.503 810 N N -1.368 117.332 118.700 0.001 0.000 2.693 810 N HA -0.230 4.517 4.740 0.012 0.000 0.249 810 N C 0.553 176.064 175.510 0.002 0.000 1.119 810 N CA 1.116 54.166 53.050 0.001 0.000 0.717 810 N CB -1.511 36.977 38.487 0.001 0.000 1.071 810 N HN 0.768 nan 8.380 nan 0.000 0.555 811 I N -0.368 120.203 120.570 0.002 0.000 2.439 811 I HA -0.150 4.027 4.170 0.012 0.000 0.251 811 I C 1.140 177.258 176.117 0.002 0.000 1.139 811 I CA 1.023 62.325 61.300 0.002 0.000 1.438 811 I CB 0.248 38.249 38.000 0.001 0.000 1.085 811 I HN 0.277 nan 8.210 nan 0.000 0.427 812 R N -0.221 120.281 120.500 0.003 0.000 2.795 812 R HA 0.502 4.849 4.340 0.012 0.000 0.275 812 R C -0.675 175.628 176.300 0.004 0.000 0.981 812 R CA -0.646 55.456 56.100 0.003 0.000 0.917 812 R CB 1.197 31.499 30.300 0.004 0.000 1.202 812 R HN -0.008 nan 8.270 nan 0.000 0.469 813 S N 0.273 115.975 115.700 0.004 0.000 2.610 813 S HA 0.369 4.846 4.470 0.012 0.000 0.273 813 S C -0.407 174.195 174.600 0.004 0.000 1.274 813 S CA -0.756 57.446 58.200 0.003 0.000 1.023 813 S CB 1.362 64.563 63.200 0.002 0.000 0.962 813 S HN 0.763 nan 8.310 nan 0.000 0.523 814 E N 0.828 121.030 120.200 0.004 0.000 2.304 814 E HA 0.535 4.892 4.350 0.012 0.000 0.277 814 E C -2.033 174.571 176.600 0.006 0.000 0.898 814 E CA -0.816 55.587 56.400 0.006 0.000 0.764 814 E CB 1.848 31.552 29.700 0.007 0.000 1.216 814 E HN 0.528 nan 8.360 nan 0.000 0.419 815 V N 4.637 124.555 119.914 0.007 0.000 2.487 815 V HA 0.434 4.561 4.120 0.012 0.000 0.298 815 V C -0.895 175.207 176.094 0.013 0.000 1.028 815 V CA -0.825 61.480 62.300 0.008 0.000 0.860 815 V CB 1.415 33.242 31.823 0.005 0.000 0.991 815 V HN 0.603 nan 8.190 nan 0.000 0.427 816 L N 5.599 126.831 121.223 0.015 0.000 2.322 816 L HA 0.631 4.978 4.340 0.012 0.000 0.281 816 L C -0.135 176.748 176.870 0.022 0.000 1.014 816 L CA -0.300 54.551 54.840 0.019 0.000 0.815 816 L CB 1.691 43.761 42.059 0.019 0.000 1.247 816 L HN 0.573 nan 8.230 nan 0.000 0.421 817 M N 3.181 122.796 119.600 0.025 0.000 2.205 817 M HA 0.398 4.885 4.480 0.012 0.000 0.344 817 M C 0.116 176.432 176.300 0.027 0.000 1.085 817 M CA -0.389 54.928 55.300 0.027 0.000 1.001 817 M CB 1.786 34.407 32.600 0.035 0.000 1.626 817 M HN 0.564 nan 8.290 nan 0.000 0.442 818 E N 1.112 121.323 120.200 0.019 0.000 2.961 818 E HA 0.763 5.120 4.350 0.012 0.000 0.254 818 E C 0.323 176.924 176.600 0.001 0.000 1.192 818 E CA -0.369 56.041 56.400 0.017 0.000 1.069 818 E CB 0.965 30.676 29.700 0.019 0.000 1.338 818 E HN 0.858 nan 8.360 nan 0.000 0.596 819 G N 0.680 109.480 108.800 -0.001 0.000 2.760 819 G HA2 -0.312 3.655 3.960 0.012 0.000 0.246 819 G HA3 -0.312 3.655 3.960 0.012 0.000 0.246 819 G C 0.489 175.394 174.900 0.009 0.000 1.359 819 G CA 0.240 45.326 45.100 -0.022 0.000 0.861 819 G HN 0.672 nan 8.290 nan 0.000 0.541 820 E N -1.010 119.202 120.200 0.019 0.000 2.077 820 E HA -0.019 4.338 4.350 0.012 0.000 0.193 820 E C 0.924 177.646 176.600 0.203 0.000 0.989 820 E CA 1.855 58.324 56.400 0.116 0.000 0.800 820 E CB -0.051 29.760 29.700 0.184 0.000 0.746 820 E HN 0.901 nan 8.360 nan 0.000 0.452 821 Y N -2.682 117.649 120.300 0.051 0.000 2.588 821 Y HA 0.685 5.242 4.550 0.012 0.000 0.343 821 Y C -0.249 175.702 175.900 0.085 0.000 1.065 821 Y CA -0.983 57.156 58.100 0.064 0.000 1.038 821 Y CB 1.002 39.503 38.460 0.068 0.000 1.297 821 Y HN -0.126 nan 8.280 nan 0.000 0.467 822 G N 1.098 110.019 108.800 0.202 0.000 2.417 822 G HA2 0.573 4.540 3.960 0.012 0.000 0.334 822 G HA3 0.573 4.540 3.960 0.012 0.000 0.334 822 G C -2.379 172.716 174.900 0.325 0.000 1.150 822 G CA -0.853 44.332 45.100 0.143 0.000 0.923 822 G HN 0.795 nan 8.290 nan 0.000 0.485 823 F N 1.407 121.408 119.950 0.085 0.000 2.562 823 F HA 0.656 5.190 4.527 0.012 0.000 0.319 823 F C -0.919 174.932 175.800 0.086 0.000 1.154 823 F CA -1.058 57.018 58.000 0.126 0.000 0.931 823 F CB 1.561 40.648 39.000 0.146 0.000 1.198 823 F HN 0.254 nan 8.300 nan 0.000 0.444 824 I N 6.246 126.510 120.570 -0.510 0.000 2.410 824 I HA 0.655 4.832 4.170 0.012 0.000 0.286 824 I C 0.071 175.753 176.117 -0.725 0.000 1.009 824 I CA -0.497 60.546 61.300 -0.429 0.000 1.111 824 I CB 1.409 39.351 38.000 -0.097 0.000 1.262 824 I HN 0.755 nan 8.210 nan 0.000 0.443 825 G N 4.430 112.813 108.800 -0.694 0.000 2.921 825 G HA2 0.659 4.626 3.960 0.012 0.000 0.291 825 G HA3 0.659 4.626 3.960 0.012 0.000 0.291 825 G C -1.733 173.075 174.900 -0.153 0.000 1.370 825 G CA -0.549 44.249 45.100 -0.503 0.000 0.847 825 G HN 0.357 nan 8.290 nan 0.000 0.532 826 K N 0.477 120.854 120.400 -0.039 0.000 2.463 826 K HA 0.552 4.879 4.320 0.012 0.000 0.255 826 K C 0.396 177.012 176.600 0.027 0.000 0.942 826 K CA -0.407 55.864 56.287 -0.027 0.000 0.814 826 K CB 1.304 33.774 32.500 -0.051 0.000 1.122 826 K HN 0.769 nan 8.250 nan 0.000 0.425 827 S N 3.824 119.535 115.700 0.020 0.000 2.576 827 S HA 0.253 4.730 4.470 0.012 0.000 0.272 827 S C 0.592 175.204 174.600 0.020 0.000 1.352 827 S CA -0.616 57.603 58.200 0.032 0.000 1.021 827 S CB 0.089 63.301 63.200 0.020 0.000 0.887 827 S HN 0.562 nan 8.310 nan 0.000 0.542 828 I N 2.748 123.333 120.570 0.026 0.000 2.587 828 I HA 0.166 4.343 4.170 0.012 0.000 0.284 828 I C -1.974 174.147 176.117 0.008 0.000 1.134 828 I CA -1.662 59.649 61.300 0.018 0.000 1.410 828 I CB -0.150 37.864 38.000 0.023 0.000 1.392 828 I HN 0.484 nan 8.210 nan 0.000 0.545 829 P HA 0.068 nan 4.420 nan 0.000 0.268 829 P C 0.596 177.895 177.300 -0.001 0.000 1.205 829 P CA -0.081 63.015 63.100 -0.006 0.000 0.771 829 P CB 0.669 32.362 31.700 -0.012 0.000 0.858 830 T N 0.161 114.713 114.554 -0.002 0.000 2.701 830 T HA -0.101 4.256 4.350 0.012 0.000 0.263 830 T C 0.980 175.680 174.700 -0.001 0.000 1.040 830 T CA 1.555 63.655 62.100 -0.000 0.000 1.147 830 T CB -0.407 68.460 68.868 -0.002 0.000 0.865 830 T HN 0.446 nan 8.240 nan 0.000 0.426 831 D N 0.567 120.965 120.400 -0.003 0.000 2.201 831 D HA 0.054 4.701 4.640 0.012 0.000 0.209 831 D C 1.062 177.361 176.300 -0.001 0.000 0.961 831 D CA 0.727 54.725 54.000 -0.003 0.000 0.861 831 D CB -0.027 40.770 40.800 -0.005 0.000 0.997 831 D HN 0.335 nan 8.370 nan 0.000 0.486 832 N N 0.285 118.983 118.700 -0.003 0.000 2.791 832 N HA 0.115 4.862 4.740 0.012 0.000 0.265 832 N C -2.193 173.317 175.510 -0.000 0.000 1.580 832 N CA -1.427 51.622 53.050 -0.001 0.000 0.809 832 N CB 1.525 40.010 38.487 -0.004 0.000 1.178 832 N HN -0.238 nan 8.380 nan 0.000 0.499 833 P HA -0.083 nan 4.420 nan 0.000 0.219 833 P C 1.094 178.403 177.300 0.015 0.000 1.146 833 P CA 0.795 63.900 63.100 0.009 0.000 0.808 833 P CB 0.195 31.902 31.700 0.012 0.000 0.779 834 A N -0.262 122.568 122.820 0.018 0.000 2.178 834 A HA 0.048 4.375 4.320 0.012 0.000 0.218 834 A C 2.193 179.799 177.584 0.036 0.000 1.157 834 A CA 1.563 53.617 52.037 0.028 0.000 0.689 834 A CB -1.443 17.572 19.000 0.025 0.000 0.787 834 A HN 0.324 nan 8.150 nan 0.000 0.465 835 G N -1.492 107.318 108.800 0.016 0.000 3.126 835 G HA2 0.160 4.127 3.960 0.012 0.000 0.224 835 G HA3 0.160 4.127 3.960 0.012 0.000 0.224 835 G C 0.576 175.455 174.900 -0.035 0.000 1.142 835 G CA 0.063 45.163 45.100 -0.001 0.000 0.759 835 G HN 0.569 nan 8.290 nan 0.000 0.550 836 Q N 1.454 121.243 119.800 -0.018 0.000 2.339 836 Q HA 0.124 4.471 4.340 0.012 0.000 0.308 836 Q C 0.287 176.235 176.000 -0.086 0.000 1.097 836 Q CA 0.416 56.196 55.803 -0.037 0.000 1.007 836 Q CB 0.119 28.856 28.738 -0.001 0.000 1.051 836 Q HN 0.604 nan 8.270 nan 0.000 0.381 837 R N 3.077 123.484 120.500 -0.154 0.000 2.765 837 R HA 0.470 4.817 4.340 0.012 0.000 0.277 837 R C -1.678 174.471 176.300 -0.251 0.000 1.028 837 R CA -0.864 55.085 56.100 -0.252 0.000 0.860 837 R CB 0.738 30.723 30.300 -0.525 0.000 1.270 837 R HN 0.482 nan 8.270 nan 0.000 0.484 838 I N 2.061 122.463 120.570 -0.281 0.000 2.465 838 I HA 0.424 4.601 4.170 0.012 0.000 0.291 838 I C -0.220 175.606 176.117 -0.485 0.000 1.014 838 I CA -1.199 59.848 61.300 -0.421 0.000 1.093 838 I CB 2.138 39.801 38.000 -0.561 0.000 1.267 838 I HN 0.431 nan 8.210 nan 0.000 0.431 839 I N 5.902 126.182 120.570 -0.484 0.000 2.321 839 I HA 0.292 4.469 4.170 0.012 0.000 0.291 839 I C -0.816 175.021 176.117 -0.467 0.000 0.998 839 I CA -0.334 60.761 61.300 -0.341 0.000 1.227 839 I CB 0.686 38.562 38.000 -0.207 0.000 1.368 839 I HN 0.299 nan 8.210 nan 0.000 0.466 840 F N 5.580 125.493 119.950 -0.062 0.000 2.408 840 F HA 0.470 5.004 4.527 0.012 0.000 0.344 840 F C 0.275 176.060 175.800 -0.025 0.000 1.112 840 F CA -0.535 57.439 58.000 -0.043 0.000 1.096 840 F CB 1.340 40.319 39.000 -0.035 0.000 1.129 840 F HN 0.367 nan 8.300 nan 0.000 0.486 841 C N 2.170 121.544 119.300 0.124 0.000 2.535 841 C HA 0.629 5.096 4.460 0.012 0.000 0.319 841 C C 1.211 176.236 174.990 0.059 0.000 1.171 841 C CA -0.440 58.619 59.018 0.069 0.000 1.394 841 C CB 0.750 28.503 27.740 0.022 0.000 1.990 841 C HN 1.035 nan 8.230 nan 0.000 0.466 842 G N 2.831 111.660 108.800 0.047 0.000 2.920 842 G HA2 0.436 4.403 3.960 0.012 0.000 0.208 842 G HA3 0.436 4.403 3.960 0.012 0.000 0.208 842 G C 0.606 175.518 174.900 0.019 0.000 1.159 842 G CA 0.802 45.920 45.100 0.031 0.000 0.784 842 G HN 1.161 nan 8.290 nan 0.000 0.535 843 G N -0.421 108.390 108.800 0.018 0.000 3.140 843 G HA2 0.476 4.443 3.960 0.012 0.000 0.271 843 G HA3 0.476 4.443 3.960 0.012 0.000 0.271 843 G C 0.519 175.425 174.900 0.010 0.000 1.370 843 G CA 0.093 45.200 45.100 0.012 0.000 1.014 843 G HN 0.199 nan 8.290 nan 0.000 0.541 844 E N -1.518 118.687 120.200 0.009 0.000 2.371 844 E HA 0.294 4.651 4.350 0.012 0.000 0.194 844 E C 0.989 177.594 176.600 0.008 0.000 1.012 844 E CA 0.411 56.817 56.400 0.010 0.000 0.860 844 E CB 0.325 30.031 29.700 0.010 0.000 0.811 844 E HN 0.539 nan 8.360 nan 0.000 0.502 845 G N 0.140 108.942 108.800 0.003 0.000 2.658 845 G HA2 0.293 4.260 3.960 0.012 0.000 0.292 845 G HA3 0.293 4.260 3.960 0.012 0.000 0.292 845 G C 0.516 175.411 174.900 -0.009 0.000 1.320 845 G CA -0.065 45.034 45.100 -0.002 0.000 0.933 845 G HN 0.036 nan 8.290 nan 0.000 0.476 846 T N -2.289 112.255 114.554 -0.016 0.000 2.962 846 T HA 0.023 4.380 4.350 0.012 0.000 0.270 846 T C 1.556 176.248 174.700 -0.014 0.000 1.088 846 T CA 1.138 63.222 62.100 -0.026 0.000 1.127 846 T CB -0.124 68.723 68.868 -0.035 0.000 0.883 846 T HN 0.575 nan 8.240 nan 0.000 0.493 847 S N 1.885 117.582 115.700 -0.005 0.000 2.533 847 S HA 0.210 4.687 4.470 0.012 0.000 0.282 847 S C 1.557 176.162 174.600 0.008 0.000 1.304 847 S CA -0.057 58.144 58.200 0.003 0.000 1.063 847 S CB 0.496 63.698 63.200 0.004 0.000 0.881 847 S HN 0.602 nan 8.310 nan 0.000 0.493 848 S N 3.590 119.299 115.700 0.016 0.000 2.507 848 S HA -0.079 4.398 4.470 0.012 0.000 0.235 848 S C 1.699 176.311 174.600 0.019 0.000 0.988 848 S CA 1.189 59.403 58.200 0.024 0.000 0.944 848 S CB -0.644 62.578 63.200 0.038 0.000 0.762 848 S HN 0.751 nan 8.310 nan 0.000 0.526 849 T N 2.703 117.266 114.554 0.014 0.000 2.803 849 T HA -0.104 4.253 4.350 0.012 0.000 0.269 849 T C 2.043 176.748 174.700 0.008 0.000 1.052 849 T CA 1.999 64.106 62.100 0.011 0.000 1.136 849 T CB -0.780 68.093 68.868 0.009 0.000 0.864 849 T HN 0.902 nan 8.240 nan 0.000 0.467 850 T N -1.886 112.673 114.554 0.008 0.000 3.067 850 T HA 0.460 4.817 4.350 0.012 0.000 0.257 850 T C 0.818 175.523 174.700 0.008 0.000 1.105 850 T CA 0.517 62.621 62.100 0.006 0.000 1.104 850 T CB 0.300 69.171 68.868 0.006 0.000 0.925 850 T HN 0.455 nan 8.240 nan 0.000 0.498 851 G N -0.015 108.791 108.800 0.011 0.000 2.368 851 G HA2 0.538 4.505 3.960 0.012 0.000 0.293 851 G HA3 0.538 4.505 3.960 0.012 0.000 0.293 851 G C -1.085 173.827 174.900 0.019 0.000 1.467 851 G CA -0.583 44.524 45.100 0.012 0.000 0.804 851 G HN 0.480 nan 8.290 nan 0.000 0.535 852 A N -0.211 122.619 122.820 0.017 0.000 2.498 852 A HA 0.632 4.959 4.320 0.012 0.000 0.239 852 A C 0.326 177.947 177.584 0.061 0.000 1.068 852 A CA 0.433 52.487 52.037 0.030 0.000 0.766 852 A CB 0.288 19.294 19.000 0.011 0.000 1.003 852 A HN 0.666 nan 8.150 nan 0.000 0.497 853 Q N 0.356 120.210 119.800 0.091 0.000 2.389 853 Q HA 0.651 4.998 4.340 0.012 0.000 0.277 853 Q C -1.485 174.603 176.000 0.146 0.000 1.082 853 Q CA -0.438 55.430 55.803 0.108 0.000 0.810 853 Q CB 2.558 31.342 28.738 0.077 0.000 1.374 853 Q HN 0.709 nan 8.270 nan 0.000 0.422 854 I N 1.163 121.830 120.570 0.161 0.000 2.498 854 I HA 0.387 4.564 4.170 0.012 0.000 0.290 854 I C -0.713 175.498 176.117 0.156 0.000 1.032 854 I CA -0.541 60.830 61.300 0.119 0.000 1.073 854 I CB 2.363 40.418 38.000 0.093 0.000 1.251 854 I HN 0.462 nan 8.210 nan 0.000 0.426 855 T N 7.048 121.636 114.554 0.057 0.000 2.786 855 T HA 0.547 4.904 4.350 0.012 0.000 0.283 855 T C -0.306 174.428 174.700 0.055 0.000 0.992 855 T CA -0.466 61.641 62.100 0.012 0.000 0.954 855 T CB 0.962 69.794 68.868 -0.059 0.000 0.934 855 T HN 0.265 nan 8.240 nan 0.000 0.440 856 L N 4.054 125.305 121.223 0.048 0.000 2.265 856 L HA 0.483 4.830 4.340 0.012 0.000 0.289 856 L C -0.662 176.230 176.870 0.037 0.000 1.033 856 L CA -0.991 53.915 54.840 0.110 0.000 0.814 856 L CB 0.499 42.652 42.059 0.156 0.000 1.203 856 L HN 0.640 nan 8.230 nan 0.000 0.423 857 Y N 1.225 121.519 120.300 -0.010 0.000 2.308 857 Y HA 0.416 4.973 4.550 0.012 0.000 0.329 857 Y C 1.235 177.138 175.900 0.005 0.000 1.111 857 Y CA -0.451 57.644 58.100 -0.009 0.000 1.179 857 Y CB 1.492 39.945 38.460 -0.012 0.000 1.201 857 Y HN 0.640 nan 8.280 nan 0.000 0.483 858 G N 0.577 109.449 108.800 0.119 0.000 2.606 858 G HA2 0.308 4.275 3.960 0.012 0.000 0.252 858 G HA3 0.308 4.275 3.960 0.012 0.000 0.252 858 G C 0.793 175.750 174.900 0.096 0.000 1.206 858 G CA -0.091 45.061 45.100 0.087 0.000 0.861 858 G HN 0.884 nan 8.290 nan 0.000 0.561 859 A N 0.581 123.445 122.820 0.073 0.000 2.019 859 A HA -0.100 4.227 4.320 0.012 0.000 0.219 859 A C 2.072 179.687 177.584 0.051 0.000 1.164 859 A CA 1.752 53.823 52.037 0.057 0.000 0.644 859 A CB -0.384 18.644 19.000 0.047 0.000 0.805 859 A HN 0.674 nan 8.150 nan 0.000 0.449 860 N N 0.123 118.853 118.700 0.050 0.000 2.494 860 N HA -0.030 4.717 4.740 0.012 0.000 0.182 860 N C 0.634 176.173 175.510 0.049 0.000 1.076 860 N CA -0.003 53.072 53.050 0.041 0.000 0.908 860 N CB -0.084 38.423 38.487 0.033 0.000 0.967 860 N HN 0.439 nan 8.380 nan 0.000 0.449 861 N N 0.575 119.319 118.700 0.074 0.000 2.479 861 N HA -0.021 4.726 4.740 0.012 0.000 0.257 861 N C 0.682 176.241 175.510 0.081 0.000 1.232 861 N CA 0.451 53.563 53.050 0.103 0.000 0.920 861 N CB 0.787 39.398 38.487 0.207 0.000 1.105 861 N HN 0.012 nan 8.380 nan 0.000 0.444 862 T N 1.050 115.648 114.554 0.074 0.000 2.680 862 T HA -0.174 4.183 4.350 0.012 0.000 0.268 862 T C -0.063 174.650 174.700 0.021 0.000 1.033 862 T CA 1.320 63.446 62.100 0.044 0.000 1.152 862 T CB -0.130 68.765 68.868 0.045 0.000 0.859 862 T HN 0.528 nan 8.240 nan 0.000 0.452 863 D N 2.101 122.515 120.400 0.023 0.000 2.524 863 D HA 0.234 4.882 4.640 0.012 0.000 0.222 863 D C -0.397 175.877 176.300 -0.045 0.000 1.142 863 D CA 0.047 53.997 54.000 -0.083 0.000 0.973 863 D CB 0.622 41.252 40.800 -0.284 0.000 1.025 863 D HN 0.126 nan 8.370 nan 0.000 0.519 864 S N 1.853 117.549 115.700 -0.007 0.000 2.481 864 S HA -0.015 4.462 4.470 0.012 0.000 0.282 864 S C 0.986 175.597 174.600 0.019 0.000 1.243 864 S CA -0.041 58.175 58.200 0.027 0.000 1.078 864 S CB 0.003 63.214 63.200 0.018 0.000 0.916 864 S HN 0.482 nan 8.310 nan 0.000 0.495 865 R N 0.716 121.255 120.500 0.065 0.000 3.878 865 R HA -0.172 4.175 4.340 0.012 0.000 0.330 865 R C 0.248 176.566 176.300 0.030 0.000 1.186 865 R CA 0.884 57.022 56.100 0.064 0.000 0.885 865 R CB -1.704 28.620 30.300 0.039 0.000 1.377 865 R HN 0.781 nan 8.270 nan 0.000 0.523 866 R N 1.533 122.009 120.500 -0.040 0.000 2.594 866 R HA 0.367 4.715 4.340 0.012 0.000 0.272 866 R C -0.161 176.126 176.300 -0.022 0.000 1.074 866 R CA 0.092 56.077 56.100 -0.192 0.000 1.105 866 R CB 0.544 30.458 30.300 -0.643 0.000 1.008 866 R HN 0.179 nan 8.270 nan 0.000 0.472 867 I N 4.057 124.597 120.570 -0.049 0.000 2.436 867 I HA 0.261 4.438 4.170 0.012 0.000 0.289 867 I C -0.850 175.172 176.117 -0.157 0.000 1.010 867 I CA -1.131 60.114 61.300 -0.092 0.000 1.098 867 I CB 2.213 40.064 38.000 -0.249 0.000 1.266 867 I HN 0.322 nan 8.210 nan 0.000 0.434 868 V N 6.724 126.589 119.914 -0.082 0.000 2.384 868 V HA 0.354 4.481 4.120 0.012 0.000 0.287 868 V C -0.924 175.118 176.094 -0.087 0.000 1.020 868 V CA -0.620 61.678 62.300 -0.003 0.000 0.850 868 V CB 1.206 33.114 31.823 0.142 0.000 0.987 868 V HN 0.420 nan 8.190 nan 0.000 0.436 869 Y N 3.257 123.636 120.300 0.131 0.000 2.335 869 Y HA 0.439 4.996 4.550 0.012 0.000 0.339 869 Y C 0.498 176.573 175.900 0.292 0.000 0.987 869 Y CA -0.352 57.854 58.100 0.176 0.000 1.140 869 Y CB 1.005 39.505 38.460 0.066 0.000 1.173 869 Y HN 0.640 nan 8.280 nan 0.000 0.486 870 N N 2.463 121.405 118.700 0.404 0.000 2.576 870 N HA 0.614 5.361 4.740 0.012 0.000 0.269 870 N C -0.802 174.799 175.510 0.152 0.000 1.058 870 N CA -0.278 52.944 53.050 0.286 0.000 0.860 870 N CB 0.754 39.344 38.487 0.173 0.000 1.249 870 N HN 0.906 nan 8.380 nan 0.000 0.525 871 G N 0.999 109.787 108.800 -0.020 0.000 2.708 871 G HA2 0.174 4.141 3.960 0.012 0.000 0.289 871 G HA3 0.174 4.141 3.960 0.012 0.000 0.289 871 G C -0.410 174.354 174.900 -0.226 0.000 1.416 871 G CA -0.374 44.612 45.100 -0.190 0.000 0.829 871 G HN 0.432 nan 8.290 nan 0.000 0.480 872 D N -0.272 120.035 120.400 -0.155 0.000 2.349 872 D HA 0.156 4.803 4.640 0.012 0.000 0.215 872 D C 0.331 176.553 176.300 -0.129 0.000 1.016 872 D CA 0.872 54.810 54.000 -0.104 0.000 0.870 872 D CB 0.701 41.469 40.800 -0.053 0.000 0.917 872 D HN 0.514 nan 8.370 nan 0.000 0.524 873 E N -0.463 119.606 120.200 -0.219 0.000 2.343 873 E HA 0.268 4.625 4.350 0.012 0.000 0.278 873 E C -0.873 175.540 176.600 -0.312 0.000 0.910 873 E CA -0.660 55.632 56.400 -0.180 0.000 0.757 873 E CB 2.087 31.732 29.700 -0.092 0.000 1.218 873 E HN 0.019 nan 8.360 nan 0.000 0.435 874 H N 2.405 121.478 119.070 0.005 0.000 2.792 874 H HA 0.362 4.925 4.556 0.012 0.000 0.298 874 H C -0.924 174.359 175.328 -0.076 0.000 1.042 874 H CA -0.386 55.634 56.048 -0.046 0.000 1.300 874 H CB 0.668 30.473 29.762 0.071 0.000 1.431 874 H HN 0.289 nan 8.280 nan 0.000 0.496 875 L N 4.278 125.432 121.223 -0.116 0.000 2.316 875 L HA 0.326 4.673 4.340 0.012 0.000 0.280 875 L C -0.543 176.194 176.870 -0.221 0.000 1.006 875 L CA -0.687 54.108 54.840 -0.076 0.000 0.836 875 L CB 1.080 43.104 42.059 -0.058 0.000 1.221 875 L HN 0.346 nan 8.230 nan 0.000 0.418 876 F N 2.401 122.353 119.950 0.004 0.000 2.375 876 F HA 0.313 4.847 4.527 0.012 0.000 0.362 876 F C 0.648 176.442 175.800 -0.009 0.000 1.129 876 F CA -0.112 57.883 58.000 -0.009 0.000 1.154 876 F CB 1.059 40.042 39.000 -0.029 0.000 1.205 876 F HN 0.481 nan 8.300 nan 0.000 0.513 877 Q N 1.571 121.415 119.800 0.073 0.000 2.222 877 Q HA 0.373 4.720 4.340 0.012 0.000 0.252 877 Q C 0.647 176.683 176.000 0.060 0.000 0.926 877 Q CA -0.037 55.795 55.803 0.049 0.000 0.899 877 Q CB 1.290 30.031 28.738 0.005 0.000 1.250 877 Q HN 0.819 nan 8.270 nan 0.000 0.441 878 S N -0.482 115.245 115.700 0.044 0.000 2.691 878 S HA -0.229 4.248 4.470 0.012 0.000 0.262 878 S C -0.570 174.052 174.600 0.036 0.000 1.284 878 S CA 0.963 59.183 58.200 0.034 0.000 1.372 878 S CB -1.395 61.822 63.200 0.028 0.000 1.693 878 S HN 0.974 nan 8.310 nan 0.000 0.647 879 A N 0.374 123.225 122.820 0.052 0.000 2.612 879 A HA 0.598 4.925 4.320 0.012 0.000 0.293 879 A C -1.438 176.164 177.584 0.029 0.000 1.075 879 A CA -0.730 51.330 52.037 0.037 0.000 0.680 879 A CB 0.834 19.858 19.000 0.040 0.000 1.279 879 A HN 0.085 nan 8.150 nan 0.000 0.411 880 D N 0.622 121.021 120.400 -0.003 0.000 2.449 880 D HA 0.275 4.922 4.640 0.012 0.000 0.236 880 D C 0.043 176.299 176.300 -0.072 0.000 1.149 880 D CA 0.389 54.368 54.000 -0.036 0.000 0.878 880 D CB 0.825 41.600 40.800 -0.042 0.000 1.198 880 D HN 0.192 nan 8.370 nan 0.000 0.446 881 V N 3.468 123.294 119.914 -0.146 0.000 2.353 881 V HA 0.145 4.272 4.120 0.012 0.000 0.264 881 V C 0.637 176.621 176.094 -0.185 0.000 1.049 881 V CA -0.067 62.071 62.300 -0.270 0.000 0.896 881 V CB 0.099 31.631 31.823 -0.485 0.000 1.025 881 V HN 0.278 nan 8.190 nan 0.000 0.475 882 K N 5.210 125.530 120.400 -0.134 0.000 2.385 882 K HA 0.644 4.971 4.320 0.012 0.000 0.248 882 K C -2.494 174.076 176.600 -0.050 0.000 0.955 882 K CA -1.639 54.597 56.287 -0.084 0.000 0.816 882 K CB 2.307 34.769 32.500 -0.064 0.000 1.250 882 K HN 0.436 nan 8.250 nan 0.000 0.434 883 P HA 0.083 nan 4.420 nan 0.000 0.277 883 P C 0.104 177.439 177.300 0.059 0.000 1.240 883 P CA -0.297 62.819 63.100 0.025 0.000 0.798 883 P CB 0.564 32.276 31.700 0.019 0.000 0.979 884 Y N 2.359 122.652 120.300 -0.013 0.000 2.181 884 Y HA -0.140 4.417 4.550 0.012 0.000 0.288 884 Y C 0.599 176.495 175.900 -0.006 0.000 1.146 884 Y CA 1.403 59.500 58.100 -0.006 0.000 1.164 884 Y CB 0.078 38.540 38.460 0.003 0.000 0.982 884 Y HN 0.441 nan 8.280 nan 0.000 0.515 885 N N -0.247 118.546 118.700 0.155 0.000 2.483 885 N HA 0.155 4.902 4.740 0.012 0.000 0.285 885 N C -1.706 173.817 175.510 0.021 0.000 1.210 885 N CA -0.731 52.364 53.050 0.074 0.000 0.931 885 N CB 0.867 39.431 38.487 0.128 0.000 1.220 885 N HN -0.033 nan 8.380 nan 0.000 0.542 886 D N 0.335 120.738 120.400 0.004 0.000 2.295 886 D HA 0.182 4.829 4.640 0.012 0.000 0.248 886 D C -0.483 175.820 176.300 0.005 0.000 1.154 886 D CA 0.143 54.140 54.000 -0.006 0.000 0.857 886 D CB 0.109 40.900 40.800 -0.015 0.000 1.117 886 D HN 0.504 nan 8.370 nan 0.000 0.468 887 N N 2.922 121.624 118.700 0.003 0.000 2.740 887 N HA -0.178 4.569 4.740 0.012 0.000 0.248 887 N C -0.399 175.118 175.510 0.011 0.000 1.062 887 N CA 0.928 53.981 53.050 0.004 0.000 0.704 887 N CB -0.991 37.497 38.487 0.001 0.000 0.968 887 N HN 0.247 nan 8.380 nan 0.000 0.547 888 V N -1.907 118.018 119.914 0.018 0.000 3.251 888 V HA 0.209 4.336 4.120 0.012 0.000 0.239 888 V C 0.933 177.041 176.094 0.023 0.000 1.332 888 V CA 1.298 63.611 62.300 0.022 0.000 1.224 888 V CB 0.804 32.647 31.823 0.032 0.000 1.004 888 V HN 0.600 nan 8.190 nan 0.000 0.464 889 T N -0.802 113.768 114.554 0.026 0.000 2.940 889 T HA 0.865 5.222 4.350 0.012 0.000 0.288 889 T C -0.347 174.366 174.700 0.023 0.000 1.033 889 T CA -0.060 62.056 62.100 0.026 0.000 1.033 889 T CB 2.463 71.351 68.868 0.033 0.000 1.079 889 T HN 0.337 nan 8.240 nan 0.000 0.496 890 A N 1.488 124.324 122.820 0.027 0.000 2.282 890 A HA 0.811 5.138 4.320 0.012 0.000 0.324 890 A C -0.559 177.059 177.584 0.058 0.000 1.119 890 A CA -1.129 50.928 52.037 0.034 0.000 0.880 890 A CB 0.810 19.829 19.000 0.032 0.000 1.294 890 A HN 0.893 nan 8.150 nan 0.000 0.493 891 L N 1.611 122.884 121.223 0.083 0.000 2.262 891 L HA 0.554 4.901 4.340 0.012 0.000 0.288 891 L C 0.920 177.940 176.870 0.248 0.000 1.035 891 L CA 0.615 55.564 54.840 0.181 0.000 0.820 891 L CB 0.538 42.664 42.059 0.112 0.000 1.204 891 L HN 1.332 nan 8.230 nan 0.000 0.424 892 G N 2.753 111.689 108.800 0.226 0.000 2.782 892 G HA2 0.097 4.064 3.960 0.012 0.000 0.228 892 G HA3 0.097 4.064 3.960 0.012 0.000 0.228 892 G C -0.267 174.622 174.900 -0.019 0.000 1.372 892 G CA -0.438 44.653 45.100 -0.016 0.000 0.862 892 G HN 1.036 nan 8.290 nan 0.000 0.547 893 G N -2.355 106.409 108.800 -0.060 0.000 2.687 893 G HA2 0.774 4.741 3.960 0.012 0.000 0.291 893 G HA3 0.774 4.741 3.960 0.012 0.000 0.291 893 G C -1.952 172.925 174.900 -0.039 0.000 1.420 893 G CA 0.291 45.370 45.100 -0.035 0.000 0.796 893 G HN 0.611 nan 8.290 nan 0.000 0.485 894 P HA 0.042 nan 4.420 nan 0.000 0.220 894 P C 1.410 178.692 177.300 -0.031 0.000 1.148 894 P CA 1.204 64.290 63.100 -0.022 0.000 0.803 894 P CB 0.386 32.077 31.700 -0.015 0.000 0.782 895 S N -1.669 114.007 115.700 -0.040 0.000 2.539 895 S HA 0.152 4.629 4.470 0.012 0.000 0.221 895 S C 0.257 174.817 174.600 -0.067 0.000 0.987 895 S CA -0.126 58.047 58.200 -0.044 0.000 0.929 895 S CB -0.421 62.757 63.200 -0.037 0.000 0.832 895 S HN 0.185 nan 8.310 nan 0.000 0.492 896 N N 1.785 120.428 118.700 -0.095 0.000 2.752 896 N HA 0.256 5.003 4.740 0.012 0.000 0.260 896 N C -0.996 174.376 175.510 -0.230 0.000 1.562 896 N CA -0.329 52.624 53.050 -0.162 0.000 0.788 896 N CB 0.833 39.214 38.487 -0.177 0.000 1.192 896 N HN 0.054 nan 8.380 nan 0.000 0.503 897 R N 0.533 120.935 120.500 -0.165 0.000 2.357 897 R HA 0.376 4.723 4.340 0.012 0.000 0.296 897 R C -0.395 175.807 176.300 -0.163 0.000 1.052 897 R CA -0.489 55.540 56.100 -0.119 0.000 0.988 897 R CB 0.912 31.194 30.300 -0.030 0.000 1.025 897 R HN 0.217 nan 8.270 nan 0.000 0.469 898 F N 0.576 120.530 119.950 0.008 0.000 2.459 898 F HA -0.031 4.503 4.527 0.012 0.000 0.346 898 F C 2.175 177.982 175.800 0.011 0.000 1.128 898 F CA 0.190 58.200 58.000 0.017 0.000 1.268 898 F CB 0.963 39.971 39.000 0.015 0.000 1.161 898 F HN 0.649 nan 8.300 nan 0.000 0.583 899 T N -2.194 112.494 114.554 0.223 0.000 2.746 899 T HA -0.043 4.314 4.350 0.012 0.000 0.267 899 T C 0.736 175.480 174.700 0.072 0.000 1.039 899 T CA 1.475 63.646 62.100 0.119 0.000 1.142 899 T CB -0.129 68.808 68.868 0.114 0.000 0.866 899 T HN 0.674 nan 8.240 nan 0.000 0.444 900 T N -0.597 113.999 114.554 0.069 0.000 2.677 900 T HA 0.572 4.929 4.350 0.012 0.000 0.305 900 T C -2.313 172.345 174.700 -0.070 0.000 1.569 900 T CA -0.296 61.771 62.100 -0.055 0.000 0.984 900 T CB 1.094 69.835 68.868 -0.211 0.000 1.629 900 T HN 0.652 nan 8.240 nan 0.000 0.494 901 A N 1.395 124.121 122.820 -0.156 0.000 2.343 901 A HA 0.744 5.071 4.320 0.012 0.000 0.308 901 A C -1.820 175.662 177.584 -0.170 0.000 1.092 901 A CA -0.468 51.498 52.037 -0.120 0.000 0.751 901 A CB 0.681 19.619 19.000 -0.103 0.000 1.203 901 A HN 0.691 nan 8.150 nan 0.000 0.452 902 Y N 2.515 122.787 120.300 -0.046 0.000 2.425 902 Y HA 0.533 5.090 4.550 0.012 0.000 0.347 902 Y C 0.077 175.956 175.900 -0.036 0.000 0.976 902 Y CA 0.048 58.130 58.100 -0.029 0.000 1.190 902 Y CB 0.814 39.262 38.460 -0.019 0.000 1.136 902 Y HN 0.503 nan 8.280 nan 0.000 0.517 903 L N 1.210 122.479 121.223 0.076 0.000 2.341 903 L HA 0.576 4.923 4.340 0.012 0.000 0.267 903 L C 1.191 178.083 176.870 0.036 0.000 1.009 903 L CA -0.813 54.047 54.840 0.035 0.000 0.819 903 L CB 2.113 44.169 42.059 -0.005 0.000 1.323 903 L HN 0.738 nan 8.230 nan 0.000 0.425 904 G N -0.037 108.776 108.800 0.022 0.000 2.880 904 G HA2 0.140 4.107 3.960 0.012 0.000 0.209 904 G HA3 0.140 4.107 3.960 0.012 0.000 0.209 904 G C 0.298 175.203 174.900 0.007 0.000 1.157 904 G CA 0.672 45.782 45.100 0.017 0.000 0.779 904 G HN 0.590 nan 8.290 nan 0.000 0.539 905 S N -0.936 114.765 115.700 0.001 0.000 2.565 905 S HA 0.393 4.870 4.470 0.012 0.000 0.269 905 S C -1.066 173.528 174.600 -0.011 0.000 1.153 905 S CA -1.041 57.156 58.200 -0.005 0.000 0.835 905 S CB 1.329 64.525 63.200 -0.006 0.000 1.122 905 S HN -0.039 nan 8.310 nan 0.000 0.462 906 N N 2.008 120.700 118.700 -0.012 0.000 2.395 906 N HA 0.289 5.036 4.740 0.012 0.000 0.246 906 N C -2.450 173.049 175.510 -0.018 0.000 1.246 906 N CA -0.517 52.523 53.050 -0.016 0.000 0.879 906 N CB -0.452 38.026 38.487 -0.014 0.000 1.098 906 N HN 0.503 nan 8.380 nan 0.000 0.444 907 P HA 0.060 nan 4.420 nan 0.000 0.266 907 P C -0.212 177.077 177.300 -0.018 0.000 1.193 907 P CA 0.352 63.439 63.100 -0.022 0.000 0.770 907 P CB 0.468 32.154 31.700 -0.023 0.000 0.836 908 I N 2.633 123.191 120.570 -0.019 0.000 2.291 908 I HA 0.207 4.384 4.170 0.012 0.000 0.290 908 I C 0.196 176.304 176.117 -0.016 0.000 1.050 908 I CA -0.613 60.678 61.300 -0.016 0.000 1.245 908 I CB 0.944 38.934 38.000 -0.017 0.000 1.405 908 I HN 0.070 nan 8.210 nan 0.000 0.478 909 V N 5.594 125.500 119.914 -0.013 0.000 2.417 909 V HA 0.720 4.847 4.120 0.012 0.000 0.291 909 V C -0.347 175.741 176.094 -0.010 0.000 1.024 909 V CA 0.433 62.726 62.300 -0.012 0.000 0.861 909 V CB 1.846 33.663 31.823 -0.011 0.000 0.985 909 V HN 0.768 nan 8.190 nan 0.000 0.436 910 T N 0.000 114.548 114.554 -0.010 0.000 3.816 910 T HA 0.000 4.357 4.350 0.012 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 910 T CB 0.000 68.862 68.868 -0.011 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658