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_F 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 0.000 174.656 174.600 0.093 0.000 1.055 245 S CA 0.000 58.241 58.200 0.068 0.000 1.107 245 S CB 0.000 63.235 63.200 0.059 0.000 0.593 246 A N 3.382 126.281 122.820 0.132 0.000 2.401 246 A HA 0.628 4.947 4.320 -0.002 0.000 0.259 246 A C 1.170 178.879 177.584 0.209 0.000 1.103 246 A CA -0.624 51.533 52.037 0.200 0.000 0.789 246 A CB 0.348 19.513 19.000 0.274 0.000 1.035 246 A HN 0.775 nan 8.150 nan 0.000 0.491 247 K N 2.172 122.665 120.400 0.154 0.000 2.116 247 K HA 0.017 4.336 4.320 -0.002 0.000 0.203 247 K C 1.250 177.839 176.600 -0.020 0.000 1.052 247 K CA 0.944 57.272 56.287 0.068 0.000 0.952 247 K CB -0.429 32.092 32.500 0.036 0.000 0.729 247 K HN 1.619 nan 8.250 nan 0.000 0.446 248 G N 3.986 112.703 108.800 -0.138 0.000 2.366 248 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.299 248 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.299 248 G C -0.065 174.609 174.900 -0.377 0.000 1.020 248 G CA 0.871 45.552 45.100 -0.698 0.000 1.026 248 G HN 0.489 nan 8.290 nan 0.000 0.512 249 D N -1.758 118.520 120.400 -0.203 0.000 2.469 249 D HA 0.368 5.007 4.640 -0.002 0.000 0.213 249 D C 1.743 177.997 176.300 -0.077 0.000 1.135 249 D CA 0.412 54.344 54.000 -0.112 0.000 0.834 249 D CB -0.362 40.404 40.800 -0.055 0.000 1.009 249 D HN 1.424 nan 8.370 nan 0.000 0.507 250 G N 0.268 109.014 108.800 -0.089 0.000 2.189 250 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.267 250 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.267 250 G C 0.948 175.852 174.900 0.006 0.000 0.975 250 G CA 1.377 46.465 45.100 -0.021 0.000 0.644 250 G HN 0.934 nan 8.290 nan 0.000 0.537 251 V N -4.469 115.445 119.914 -0.001 0.000 3.141 251 V HA 0.408 4.527 4.120 -0.002 0.000 0.225 251 V C 1.237 177.341 176.094 0.016 0.000 1.352 251 V CA 1.142 63.448 62.300 0.010 0.000 1.316 251 V CB -0.236 31.591 31.823 0.006 0.000 1.126 251 V HN 0.272 nan 8.190 nan 0.000 0.493 252 T N 3.271 117.835 114.554 0.016 0.000 2.888 252 T HA 0.194 4.543 4.350 -0.002 0.000 0.301 252 T C -0.287 174.440 174.700 0.047 0.000 1.001 252 T CA 0.627 62.743 62.100 0.028 0.000 1.147 252 T CB 0.527 69.413 68.868 0.029 0.000 0.931 252 T HN 0.569 nan 8.240 nan 0.000 0.541 253 D N 2.081 122.508 120.400 0.046 0.000 2.363 253 D HA 0.027 4.666 4.640 -0.002 0.000 0.263 253 D C 0.227 176.570 176.300 0.071 0.000 1.258 253 D CA -0.205 53.828 54.000 0.056 0.000 0.907 253 D CB 0.489 41.313 40.800 0.040 0.000 1.107 253 D HN 0.331 nan 8.370 nan 0.000 0.495 254 D N 2.471 122.933 120.400 0.103 0.000 2.395 254 D HA 0.019 4.658 4.640 -0.002 0.000 0.213 254 D C 1.393 177.750 176.300 0.095 0.000 1.110 254 D CA 0.142 54.221 54.000 0.132 0.000 0.835 254 D CB 0.541 41.491 40.800 0.250 0.000 0.965 254 D HN 0.398 nan 8.370 nan 0.000 0.505 255 T N 0.448 115.036 114.554 0.058 0.000 2.635 255 T HA -0.218 4.131 4.350 -0.002 0.000 0.267 255 T C 2.028 176.737 174.700 0.015 0.000 1.040 255 T CA 1.794 63.903 62.100 0.016 0.000 1.156 255 T CB -0.067 68.798 68.868 -0.005 0.000 0.863 255 T HN 0.236 nan 8.240 nan 0.000 0.430 256 A N 1.437 124.270 122.820 0.022 0.000 1.877 256 A HA 0.166 4.485 4.320 -0.002 0.000 0.216 256 A C 2.693 180.294 177.584 0.028 0.000 1.186 256 A CA 1.956 54.004 52.037 0.018 0.000 0.620 256 A CB -1.249 17.762 19.000 0.018 0.000 0.822 256 A HN 0.523 nan 8.150 nan 0.000 0.443 257 A N -0.635 122.212 122.820 0.045 0.000 1.908 257 A HA -0.081 4.238 4.320 -0.002 0.000 0.218 257 A C 2.026 179.645 177.584 0.058 0.000 1.181 257 A CA 1.854 53.924 52.037 0.055 0.000 0.627 257 A CB -0.554 18.492 19.000 0.077 0.000 0.818 257 A HN 0.394 nan 8.150 nan 0.000 0.445 258 L N -0.278 120.986 121.223 0.070 0.000 2.046 258 L HA -0.110 4.229 4.340 -0.002 0.000 0.208 258 L C 2.724 179.639 176.870 0.075 0.000 1.077 258 L CA 2.365 57.264 54.840 0.099 0.000 0.747 258 L CB -1.724 40.400 42.059 0.108 0.000 0.896 258 L HN 0.386 nan 8.230 nan 0.000 0.432 259 T N -0.581 113.993 114.554 0.032 0.000 2.635 259 T HA -0.221 4.128 4.350 -0.002 0.000 0.267 259 T C 2.074 176.776 174.700 0.003 0.000 1.040 259 T CA 2.000 64.104 62.100 0.007 0.000 1.156 259 T CB -0.331 68.531 68.868 -0.010 0.000 0.863 259 T HN 0.572 nan 8.240 nan 0.000 0.430 260 S N 1.667 117.372 115.700 0.008 0.000 2.402 260 S HA 0.042 4.511 4.470 -0.002 0.000 0.229 260 S C 2.394 176.992 174.600 -0.003 0.000 1.021 260 S CA 1.035 59.237 58.200 0.002 0.000 0.974 260 S CB -0.530 62.674 63.200 0.006 0.000 0.800 260 S HN 0.498 nan 8.310 nan 0.000 0.484 261 A N 1.979 124.802 122.820 0.005 0.000 1.902 261 A HA 0.138 4.457 4.320 -0.002 0.000 0.217 261 A C 2.328 179.883 177.584 -0.049 0.000 1.181 261 A CA 1.471 53.501 52.037 -0.012 0.000 0.623 261 A CB -0.877 18.125 19.000 0.005 0.000 0.818 261 A HN 0.561 nan 8.150 nan 0.000 0.443 262 L N -0.526 120.669 121.223 -0.046 0.000 2.093 262 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 262 L C 2.227 179.059 176.870 -0.063 0.000 1.085 262 L CA 1.561 56.352 54.840 -0.082 0.000 0.755 262 L CB -0.564 41.462 42.059 -0.054 0.000 0.904 262 L HN 0.488 nan 8.230 nan 0.000 0.435 263 N N -0.589 118.087 118.700 -0.040 0.000 2.331 263 N HA -0.150 4.589 4.740 -0.002 0.000 0.180 263 N C 0.799 176.288 175.510 -0.034 0.000 1.019 263 N CA 0.743 53.773 53.050 -0.034 0.000 0.881 263 N CB 0.128 38.601 38.487 -0.024 0.000 0.972 263 N HN 0.272 nan 8.380 nan 0.000 0.435 264 D N -0.268 120.112 120.400 -0.034 0.000 2.360 264 D HA 0.003 4.642 4.640 -0.002 0.000 0.210 264 D C 0.511 176.789 176.300 -0.038 0.000 1.047 264 D CA 0.540 54.523 54.000 -0.030 0.000 0.854 264 D CB 0.329 41.117 40.800 -0.021 0.000 0.936 264 D HN 0.250 nan 8.370 nan 0.000 0.514 265 T N -1.318 113.204 114.554 -0.054 0.000 2.888 265 T HA 0.600 4.949 4.350 -0.002 0.000 0.284 265 T C -2.795 171.866 174.700 -0.064 0.000 1.017 265 T CA -2.060 60.003 62.100 -0.062 0.000 1.022 265 T CB 2.208 71.026 68.868 -0.084 0.000 1.013 265 T HN -0.333 nan 8.240 nan 0.000 0.465 266 P HA 0.078 nan 4.420 nan 0.000 0.266 266 P C 1.524 178.784 177.300 -0.065 0.000 1.195 266 P CA -0.475 62.595 63.100 -0.051 0.000 0.768 266 P CB 0.446 32.121 31.700 -0.042 0.000 0.838 267 V N 1.256 121.134 119.914 -0.059 0.000 2.568 267 V HA -0.118 4.001 4.120 -0.002 0.000 0.253 267 V C 1.857 177.912 176.094 -0.065 0.000 1.072 267 V CA 2.164 64.424 62.300 -0.066 0.000 1.084 267 V CB -1.747 30.045 31.823 -0.053 0.000 0.676 267 V HN 0.629 nan 8.190 nan 0.000 0.469 268 G N -0.339 108.430 108.800 -0.051 0.000 2.572 268 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.216 268 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.216 268 G C 0.815 175.686 174.900 -0.048 0.000 1.133 268 G CA 0.398 45.472 45.100 -0.043 0.000 0.791 268 G HN 0.641 nan 8.290 nan 0.000 0.538 269 Q N 1.377 121.139 119.800 -0.063 0.000 2.311 269 Q HA 0.161 4.500 4.340 -0.002 0.000 0.272 269 Q C -0.145 175.801 176.000 -0.090 0.000 1.012 269 Q CA 0.103 55.865 55.803 -0.068 0.000 0.891 269 Q CB 0.525 29.217 28.738 -0.076 0.000 1.201 269 Q HN -0.054 nan 8.270 nan 0.000 0.391 270 K N 5.493 125.856 120.400 -0.062 0.000 2.273 270 K HA 0.219 4.538 4.320 -0.002 0.000 0.287 270 K C -0.420 176.136 176.600 -0.074 0.000 1.089 270 K CA -0.168 56.084 56.287 -0.058 0.000 0.909 270 K CB 0.208 32.702 32.500 -0.009 0.000 1.123 270 K HN 0.691 nan 8.250 nan 0.000 0.473 271 I N 3.102 123.574 120.570 -0.162 0.000 2.421 271 I HA -0.041 4.128 4.170 -0.002 0.000 0.291 271 I C 0.861 176.989 176.117 0.018 0.000 1.089 271 I CA -0.237 60.967 61.300 -0.159 0.000 1.354 271 I CB 0.028 37.750 38.000 -0.463 0.000 1.413 271 I HN 0.325 nan 8.210 nan 0.000 0.513 272 N N 5.498 124.229 118.700 0.052 0.000 2.411 272 N HA 0.112 4.851 4.740 -0.002 0.000 0.259 272 N C 0.893 176.496 175.510 0.155 0.000 1.103 272 N CA 0.048 53.163 53.050 0.109 0.000 0.954 272 N CB 1.746 40.280 38.487 0.078 0.000 1.085 272 N HN 0.747 nan 8.380 nan 0.000 0.485 273 G N 2.348 111.275 108.800 0.213 0.000 2.920 273 G HA2 -0.114 3.845 3.960 -0.002 0.000 0.208 273 G HA3 -0.114 3.845 3.960 -0.002 0.000 0.208 273 G C 0.460 175.550 174.900 0.316 0.000 1.159 273 G CA -0.267 45.005 45.100 0.286 0.000 0.784 273 G HN 0.777 nan 8.290 nan 0.000 0.535 274 N N -0.733 118.090 118.700 0.206 0.000 2.747 274 N HA -0.193 4.546 4.740 -0.002 0.000 0.249 274 N C 1.504 177.095 175.510 0.135 0.000 1.107 274 N CA 1.659 54.796 53.050 0.145 0.000 0.707 274 N CB -1.442 37.121 38.487 0.126 0.000 1.054 274 N HN 1.022 nan 8.380 nan 0.000 0.555 275 G N -1.327 107.589 108.800 0.194 0.000 2.162 275 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.260 275 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.260 275 G C 0.214 175.294 174.900 0.300 0.000 0.976 275 G CA 1.110 46.340 45.100 0.217 0.000 0.655 275 G HN 0.565 nan 8.290 nan 0.000 0.533 276 K N 0.112 120.619 120.400 0.178 0.000 2.098 276 K HA 0.591 4.910 4.320 -0.002 0.000 0.244 276 K C 0.048 176.532 176.600 -0.193 0.000 1.014 276 K CA -0.075 56.169 56.287 -0.073 0.000 0.917 276 K CB 0.756 33.066 32.500 -0.318 0.000 1.072 276 K HN 0.072 nan 8.250 nan 0.000 0.477 277 T N 1.636 115.992 114.554 -0.331 0.000 2.779 277 T HA 0.346 4.695 4.350 -0.002 0.000 0.280 277 T C -1.179 173.280 174.700 -0.401 0.000 0.987 277 T CA -0.541 61.401 62.100 -0.262 0.000 0.966 277 T CB 0.194 69.028 68.868 -0.058 0.000 0.933 277 T HN 0.262 nan 8.240 nan 0.000 0.442 278 Y N 1.979 122.207 120.300 -0.120 0.000 2.328 278 Y HA 0.409 4.958 4.550 -0.002 0.000 0.336 278 Y C 0.604 176.542 175.900 0.064 0.000 0.960 278 Y CA -1.090 56.998 58.100 -0.020 0.000 1.134 278 Y CB 1.198 39.646 38.460 -0.021 0.000 1.166 278 Y HN 0.271 nan 8.280 nan 0.000 0.464 279 K N 4.315 124.809 120.400 0.156 0.000 2.322 279 K HA 0.472 4.791 4.320 -0.002 0.000 0.283 279 K C -0.865 175.818 176.600 0.139 0.000 1.042 279 K CA -0.076 56.282 56.287 0.119 0.000 0.958 279 K CB 0.561 33.098 32.500 0.062 0.000 0.984 279 K HN 0.654 nan 8.250 nan 0.000 0.473 280 V N 0.420 120.408 119.914 0.123 0.000 3.078 280 V HA 0.434 4.553 4.120 -0.002 0.000 0.311 280 V C 0.684 176.838 176.094 0.099 0.000 1.138 280 V CA -0.581 61.754 62.300 0.059 0.000 1.007 280 V CB 1.504 33.285 31.823 -0.069 0.000 1.045 280 V HN 0.775 nan 8.190 nan 0.000 0.432 281 T N -1.473 113.114 114.554 0.054 0.000 3.060 281 T HA 0.351 4.700 4.350 -0.002 0.000 0.249 281 T C 0.599 175.361 174.700 0.103 0.000 1.079 281 T CA 0.476 62.647 62.100 0.118 0.000 1.013 281 T CB -0.157 68.746 68.868 0.057 0.000 0.975 281 T HN 0.865 nan 8.240 nan 0.000 0.518 282 S N 0.363 115.966 115.700 -0.163 0.000 2.537 282 S HA 0.550 5.019 4.470 -0.002 0.000 0.270 282 S C -0.901 173.294 174.600 -0.674 0.000 1.142 282 S CA -0.973 56.959 58.200 -0.446 0.000 0.870 282 S CB 1.616 64.667 63.200 -0.249 0.000 1.112 282 S HN 0.292 nan 8.310 nan 0.000 0.466 283 L N 3.804 124.447 121.223 -0.967 0.000 2.410 283 L HA 0.313 4.652 4.340 -0.002 0.000 0.273 283 L C -1.472 175.021 176.870 -0.628 0.000 1.144 283 L CA -1.065 53.241 54.840 -0.890 0.000 0.863 283 L CB -0.020 41.477 42.059 -0.937 0.000 1.140 283 L HN 0.475 nan 8.230 nan 0.000 0.463 284 P HA 0.078 nan 4.420 nan 0.000 0.312 284 P C -0.865 176.259 177.300 -0.293 0.000 1.308 284 P CA -0.563 62.301 63.100 -0.394 0.000 0.743 284 P CB 0.506 32.004 31.700 -0.337 0.000 1.364 285 D N -0.141 120.214 120.400 -0.076 0.000 2.398 285 D HA 0.059 4.698 4.640 -0.002 0.000 0.250 285 D C 1.277 177.655 176.300 0.131 0.000 1.287 285 D CA 0.034 54.026 54.000 -0.013 0.000 0.992 285 D CB -0.733 40.067 40.800 -0.001 0.000 1.071 285 D HN 0.162 nan 8.370 nan 0.000 0.514 286 I N 1.769 122.350 120.570 0.019 0.000 2.361 286 I HA -0.300 3.869 4.170 -0.002 0.000 0.251 286 I C 2.366 178.653 176.117 0.283 0.000 1.133 286 I CA 0.974 62.370 61.300 0.160 0.000 1.413 286 I CB -0.228 37.794 38.000 0.037 0.000 1.073 286 I HN 0.355 nan 8.210 nan 0.000 0.424 287 S N 1.034 116.818 115.700 0.139 0.000 2.440 287 S HA -0.165 4.304 4.470 -0.002 0.000 0.238 287 S C 1.916 176.572 174.600 0.093 0.000 1.010 287 S CA 0.836 59.096 58.200 0.100 0.000 0.972 287 S CB -0.430 62.789 63.200 0.032 0.000 0.774 287 S HN 0.474 nan 8.310 nan 0.000 0.501 288 R N -0.416 120.135 120.500 0.085 0.000 2.310 288 R HA 0.325 4.664 4.340 -0.002 0.000 0.202 288 R C -0.743 175.421 176.300 -0.227 0.000 0.933 288 R CA 0.044 56.077 56.100 -0.112 0.000 1.054 288 R CB 0.033 30.183 30.300 -0.251 0.000 0.985 288 R HN 0.406 nan 8.270 nan 0.000 0.489 289 F N 0.947 120.937 119.950 0.066 0.000 2.492 289 F HA 0.461 4.987 4.527 -0.001 0.000 0.327 289 F C 0.398 176.246 175.800 0.079 0.000 1.079 289 F CA -1.471 56.576 58.000 0.078 0.000 0.967 289 F CB 1.244 40.330 39.000 0.143 0.000 1.169 289 F HN -0.194 nan 8.300 nan 0.000 0.472 290 I N -0.609 120.114 120.570 0.255 0.000 2.740 290 I HA 0.599 4.768 4.170 -0.002 0.000 0.303 290 I C 0.027 176.276 176.117 0.220 0.000 1.044 290 I CA -1.171 60.249 61.300 0.201 0.000 1.064 290 I CB 1.809 39.884 38.000 0.125 0.000 1.249 290 I HN 0.639 nan 8.210 nan 0.000 0.433 291 N N 1.668 120.508 118.700 0.235 0.000 2.727 291 N HA -0.167 4.572 4.740 -0.002 0.000 0.249 291 N C -1.121 174.624 175.510 0.391 0.000 1.048 291 N CA 1.286 54.506 53.050 0.283 0.000 0.714 291 N CB -0.879 37.706 38.487 0.163 0.000 0.959 291 N HN 0.960 nan 8.380 nan 0.000 0.544 292 T N 0.527 115.259 114.554 0.297 0.000 2.886 292 T HA 0.485 4.834 4.350 -0.002 0.000 0.292 292 T C -0.208 174.178 174.700 -0.523 0.000 1.012 292 T CA -0.705 61.364 62.100 -0.051 0.000 0.982 292 T CB 2.178 70.872 68.868 -0.290 0.000 1.018 292 T HN 0.305 nan 8.240 nan 0.000 0.451 293 R N 1.779 121.807 120.500 -0.787 0.000 2.599 293 R HA 0.649 4.988 4.340 -0.002 0.000 0.295 293 R C -1.536 174.382 176.300 -0.638 0.000 0.963 293 R CA -0.657 54.910 56.100 -0.887 0.000 0.883 293 R CB 0.859 30.445 30.300 -1.189 0.000 1.171 293 R HN 0.464 nan 8.270 nan 0.000 0.450 294 F N 3.280 123.196 119.950 -0.057 0.000 2.450 294 F HA 0.382 4.908 4.527 -0.002 0.000 0.332 294 F C -0.039 175.791 175.800 0.050 0.000 1.093 294 F CA -0.858 57.143 58.000 0.001 0.000 1.003 294 F CB 1.898 40.845 39.000 -0.089 0.000 1.151 294 F HN 0.082 nan 8.300 nan 0.000 0.474 295 V N 2.092 122.085 119.914 0.132 0.000 2.435 295 V HA 0.508 4.627 4.120 -0.002 0.000 0.290 295 V C -1.172 174.979 176.094 0.094 0.000 1.030 295 V CA -1.142 61.082 62.300 -0.127 0.000 0.881 295 V CB 1.171 32.824 31.823 -0.283 0.000 0.983 295 V HN 0.785 nan 8.190 nan 0.000 0.445 296 Y N 1.917 122.185 120.300 -0.053 0.000 2.441 296 Y HA 0.479 5.028 4.550 -0.002 0.000 0.334 296 Y C -0.339 175.561 175.900 0.001 0.000 1.061 296 Y CA -0.616 57.471 58.100 -0.021 0.000 1.032 296 Y CB 2.133 40.540 38.460 -0.089 0.000 1.266 296 Y HN 0.753 nan 8.280 nan 0.000 0.441 297 E N 6.597 126.461 120.200 -0.560 0.000 2.079 297 E HA 0.182 4.531 4.350 -0.002 0.000 0.252 297 E C 0.658 176.754 176.600 -0.841 0.000 0.992 297 E CA -0.398 55.684 56.400 -0.531 0.000 0.829 297 E CB 0.986 30.530 29.700 -0.261 0.000 1.158 297 E HN 0.687 nan 8.360 nan 0.000 0.435 298 R N 2.431 122.349 120.500 -0.969 0.000 2.081 298 R HA -0.073 4.266 4.340 -0.002 0.000 0.235 298 R C 0.498 176.640 176.300 -0.263 0.000 1.131 298 R CA 1.048 56.765 56.100 -0.639 0.000 0.960 298 R CB 0.320 30.491 30.300 -0.216 0.000 0.856 298 R HN 0.315 nan 8.270 nan 0.000 0.436 299 I N 2.540 122.986 120.570 -0.206 0.000 2.339 299 I HA 0.316 4.485 4.170 -0.002 0.000 0.290 299 I C -2.271 173.751 176.117 -0.158 0.000 0.994 299 I CA -3.525 57.694 61.300 -0.135 0.000 1.191 299 I CB 0.967 38.909 38.000 -0.096 0.000 1.343 299 I HN -0.094 nan 8.210 nan 0.000 0.458 300 P HA 0.062 nan 4.420 nan 0.000 0.259 300 P C 0.948 178.188 177.300 -0.100 0.000 1.163 300 P CA 1.058 64.098 63.100 -0.100 0.000 0.760 300 P CB 0.430 32.093 31.700 -0.061 0.000 0.762 301 G N 2.603 111.345 108.800 -0.097 0.000 2.175 301 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.244 301 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.244 301 G C 0.116 174.918 174.900 -0.163 0.000 0.982 301 G CA -0.314 44.740 45.100 -0.077 0.000 0.641 301 G HN 0.586 nan 8.290 nan 0.000 0.527 302 Q N 1.158 120.816 119.800 -0.236 0.000 2.907 302 Q HA 0.293 4.632 4.340 -0.002 0.000 0.262 302 Q C -2.654 173.234 176.000 -0.185 0.000 0.997 302 Q CA -1.751 53.849 55.803 -0.338 0.000 0.797 302 Q CB 2.322 30.811 28.738 -0.415 0.000 1.228 302 Q HN 0.346 nan 8.270 nan 0.000 0.466 303 P HA 0.088 nan 4.420 nan 0.000 0.271 303 P C -0.644 176.594 177.300 -0.104 0.000 1.220 303 P CA 0.255 63.268 63.100 -0.145 0.000 0.768 303 P CB 1.090 32.708 31.700 -0.138 0.000 0.848 304 L N 3.231 124.369 121.223 -0.141 0.000 2.309 304 L HA 0.514 4.853 4.340 -0.002 0.000 0.261 304 L C -0.367 176.359 176.870 -0.240 0.000 1.021 304 L CA -1.147 53.641 54.840 -0.088 0.000 0.823 304 L CB 1.483 43.485 42.059 -0.094 0.000 1.366 304 L HN 0.282 nan 8.230 nan 0.000 0.423 305 Y N -0.111 120.097 120.300 -0.154 0.000 2.409 305 Y HA 0.540 5.089 4.550 -0.002 0.000 0.339 305 Y C -1.010 174.695 175.900 -0.326 0.000 1.033 305 Y CA -0.696 57.348 58.100 -0.093 0.000 1.094 305 Y CB 1.490 39.887 38.460 -0.106 0.000 1.210 305 Y HN 0.207 nan 8.280 nan 0.000 0.456 306 Y N 0.863 121.250 120.300 0.146 0.000 2.338 306 Y HA 0.672 5.221 4.550 -0.002 0.000 0.333 306 Y C -0.173 175.745 175.900 0.029 0.000 0.968 306 Y CA -1.277 56.885 58.100 0.104 0.000 1.123 306 Y CB 1.652 40.194 38.460 0.137 0.000 1.165 306 Y HN 0.699 nan 8.280 nan 0.000 0.452 307 A N 2.452 125.337 122.820 0.107 0.000 2.289 307 A HA 0.578 4.897 4.320 -0.002 0.000 0.298 307 A C 0.328 177.997 177.584 0.141 0.000 1.208 307 A CA -0.519 51.538 52.037 0.033 0.000 0.845 307 A CB 0.219 19.306 19.000 0.144 0.000 1.125 307 A HN 0.771 nan 8.150 nan 0.000 0.517 308 S N 2.610 118.385 115.700 0.124 0.000 2.617 308 S HA 0.221 4.690 4.470 -0.002 0.000 0.259 308 S C 0.124 174.856 174.600 0.221 0.000 1.301 308 S CA -0.501 57.823 58.200 0.206 0.000 0.984 308 S CB 0.276 63.610 63.200 0.223 0.000 0.954 308 S HN 0.687 nan 8.310 nan 0.000 0.572 309 E N 1.094 121.413 120.200 0.198 0.000 2.442 309 E HA 0.021 4.370 4.350 -0.002 0.000 0.262 309 E C 0.498 177.209 176.600 0.184 0.000 1.004 309 E CA 0.570 57.074 56.400 0.172 0.000 0.928 309 E CB 0.155 29.931 29.700 0.127 0.000 0.937 309 E HN 0.820 nan 8.360 nan 0.000 0.446 310 E N 0.321 120.620 120.200 0.165 0.000 3.916 310 E HA -0.303 4.046 4.350 -0.002 0.000 0.331 310 E C 0.716 177.406 176.600 0.149 0.000 0.729 310 E CA 0.710 57.189 56.400 0.132 0.000 1.222 310 E CB -1.575 28.185 29.700 0.101 0.000 1.633 310 E HN 0.564 nan 8.360 nan 0.000 0.437 311 F N 1.475 121.476 119.950 0.085 0.000 2.163 311 F HA 0.022 4.548 4.527 -0.002 0.000 0.297 311 F C 1.233 177.081 175.800 0.080 0.000 1.094 311 F CA 1.384 59.427 58.000 0.073 0.000 1.290 311 F CB 0.528 39.568 39.000 0.067 0.000 1.017 311 F HN -0.007 nan 8.300 nan 0.000 0.483 312 V N 1.487 121.524 119.914 0.206 0.000 2.547 312 V HA 0.346 4.465 4.120 -0.002 0.000 0.299 312 V C -0.541 175.614 176.094 0.102 0.000 1.040 312 V CA -0.718 61.650 62.300 0.114 0.000 0.913 312 V CB 1.596 33.547 31.823 0.214 0.000 0.992 312 V HN 0.191 nan 8.190 nan 0.000 0.449 313 Q N 4.704 124.531 119.800 0.044 0.000 2.381 313 Q HA 0.566 4.905 4.340 -0.002 0.000 0.243 313 Q C 0.188 176.240 176.000 0.086 0.000 1.154 313 Q CA 0.409 56.244 55.803 0.054 0.000 0.899 313 Q CB 0.868 29.618 28.738 0.019 0.000 1.396 313 Q HN 1.068 nan 8.270 nan 0.000 0.485 314 G N 1.803 110.654 108.800 0.085 0.000 2.646 314 G HA2 0.504 4.463 3.960 -0.002 0.000 0.291 314 G HA3 0.504 4.463 3.960 -0.002 0.000 0.291 314 G C -1.810 172.966 174.900 -0.207 0.000 1.445 314 G CA -0.462 44.617 45.100 -0.035 0.000 0.814 314 G HN 0.397 nan 8.290 nan 0.000 0.495 315 E N -0.424 119.393 120.200 -0.637 0.000 2.363 315 E HA 0.459 4.808 4.350 -0.002 0.000 0.281 315 E C -1.896 174.361 176.600 -0.573 0.000 0.953 315 E CA -0.777 55.344 56.400 -0.465 0.000 0.778 315 E CB 2.545 32.046 29.700 -0.332 0.000 1.220 315 E HN 0.475 nan 8.360 nan 0.000 0.431 316 L N 4.285 125.337 121.223 -0.284 0.000 2.307 316 L HA 0.610 4.949 4.340 -0.002 0.000 0.282 316 L C -1.649 175.112 176.870 -0.182 0.000 1.051 316 L CA 0.074 54.925 54.840 0.018 0.000 0.804 316 L CB 0.613 42.806 42.059 0.224 0.000 1.197 316 L HN 0.496 nan 8.230 nan 0.000 0.431 317 F N 3.332 123.325 119.950 0.071 0.000 2.546 317 F HA 0.508 5.034 4.527 -0.002 0.000 0.320 317 F C -0.030 175.737 175.800 -0.054 0.000 1.076 317 F CA -0.754 57.253 58.000 0.012 0.000 0.928 317 F CB 1.696 40.710 39.000 0.023 0.000 1.189 317 F HN 0.333 nan 8.300 nan 0.000 0.465 318 K N 3.219 123.620 120.400 0.002 0.000 2.183 318 K HA 0.489 4.808 4.320 -0.002 0.000 0.274 318 K C 0.323 176.666 176.600 -0.428 0.000 1.009 318 K CA -0.302 55.721 56.287 -0.440 0.000 0.888 318 K CB 0.846 33.103 32.500 -0.405 0.000 1.078 318 K HN 0.829 nan 8.250 nan 0.000 0.459 319 I N -0.131 120.033 120.570 -0.677 0.000 4.456 319 I HA 0.173 4.342 4.170 -0.002 0.000 0.329 319 I C 0.012 175.809 176.117 -0.533 0.000 1.313 319 I CA -0.367 60.487 61.300 -0.743 0.000 1.205 319 I CB 1.038 38.139 38.000 -1.497 0.000 1.179 319 I HN 0.463 nan 8.210 nan 0.000 0.419 320 T N -1.789 112.442 114.554 -0.537 0.000 2.916 320 T HA 0.591 4.940 4.350 -0.002 0.000 0.292 320 T C -1.052 173.465 174.700 -0.304 0.000 1.055 320 T CA -0.432 61.452 62.100 -0.360 0.000 1.009 320 T CB 2.570 71.191 68.868 -0.412 0.000 1.118 320 T HN 0.123 nan 8.240 nan 0.000 0.497 321 D N 0.787 121.091 120.400 -0.160 0.000 2.527 321 D HA 0.361 5.000 4.640 -0.002 0.000 0.242 321 D C -1.201 175.089 176.300 -0.016 0.000 1.285 321 D CA -0.032 53.905 54.000 -0.105 0.000 0.886 321 D CB 0.838 41.582 40.800 -0.092 0.000 1.402 321 D HN 0.656 nan 8.370 nan 0.000 0.528 322 T N 1.946 116.511 114.554 0.018 0.000 2.909 322 T HA 0.437 4.786 4.350 -0.002 0.000 0.299 322 T C -2.068 172.688 174.700 0.094 0.000 1.073 322 T CA -1.368 60.802 62.100 0.117 0.000 0.999 322 T CB 2.362 71.365 68.868 0.225 0.000 1.098 322 T HN -0.063 nan 8.240 nan 0.000 0.477 323 P HA 0.092 nan 4.420 nan 0.000 0.233 323 P C -0.158 177.084 177.300 -0.095 0.000 1.167 323 P CA 0.366 63.419 63.100 -0.080 0.000 0.770 323 P CB -0.083 31.510 31.700 -0.178 0.000 0.837 324 Y N -1.355 119.008 120.300 0.104 0.000 2.426 324 Y HA 0.031 4.580 4.550 -0.002 0.000 0.344 324 Y C 0.987 177.013 175.900 0.210 0.000 1.256 324 Y CA -0.435 57.775 58.100 0.183 0.000 1.451 324 Y CB -0.060 38.557 38.460 0.261 0.000 1.342 324 Y HN -0.124 nan 8.280 nan 0.000 0.600 325 Y N 3.145 123.610 120.300 0.275 0.000 2.680 325 Y HA 0.084 4.633 4.550 -0.002 0.000 0.356 325 Y C -0.655 175.350 175.900 0.174 0.000 1.122 325 Y CA -0.673 57.507 58.100 0.133 0.000 1.509 325 Y CB -0.883 37.565 38.460 -0.021 0.000 1.245 325 Y HN 0.453 nan 8.280 nan 0.000 0.513 326 N N 4.622 123.409 118.700 0.145 0.000 2.457 326 N HA 0.693 5.431 4.740 -0.002 0.000 0.250 326 N C -0.811 174.632 175.510 -0.111 0.000 0.982 326 N CA -0.282 52.852 53.050 0.141 0.000 0.941 326 N CB 1.144 39.597 38.487 -0.057 0.000 1.120 326 N HN 0.609 nan 8.380 nan 0.000 0.505 327 A N 1.335 124.119 122.820 -0.060 0.000 2.524 327 A HA 0.545 4.864 4.320 -0.002 0.000 0.303 327 A C -1.311 176.224 177.584 -0.082 0.000 1.195 327 A CA -0.770 50.983 52.037 -0.474 0.000 0.651 327 A CB 0.637 18.831 19.000 -1.344 0.000 1.323 327 A HN 0.698 nan 8.150 nan 0.000 0.479 328 W N -2.407 118.987 121.300 0.157 0.000 6.199 328 W HA -0.109 4.550 4.660 -0.002 0.000 0.416 328 W C -2.253 174.370 176.519 0.174 0.000 1.636 328 W CA 0.284 57.721 57.345 0.153 0.000 1.040 328 W CB -2.278 27.240 29.460 0.097 0.000 2.854 328 W HN 0.530 nan 8.180 nan 0.000 1.467 329 P HA -0.172 nan 4.420 nan 0.000 0.222 329 P C 1.130 178.588 177.300 0.263 0.000 1.147 329 P CA 1.677 64.930 63.100 0.254 0.000 0.790 329 P CB 0.154 31.944 31.700 0.149 0.000 0.780 330 Q N 0.902 120.892 119.800 0.316 0.000 2.269 330 Q HA -0.008 4.331 4.340 -0.002 0.000 0.300 330 Q C -0.496 175.617 176.000 0.188 0.000 1.070 330 Q CA 0.246 56.243 55.803 0.323 0.000 0.957 330 Q CB -0.118 28.936 28.738 0.526 0.000 1.131 330 Q HN -0.072 nan 8.270 nan 0.000 0.377 331 D N 2.646 123.018 120.400 -0.048 0.000 2.432 331 D HA 0.229 4.868 4.640 -0.002 0.000 0.265 331 D C -0.514 175.830 176.300 0.074 0.000 1.160 331 D CA -0.508 53.487 54.000 -0.009 0.000 0.911 331 D CB 0.644 41.318 40.800 -0.211 0.000 1.052 331 D HN 0.659 nan 8.370 nan 0.000 0.508 332 K N 0.956 121.448 120.400 0.154 0.000 2.491 332 K HA 0.347 4.666 4.320 -0.002 0.000 0.211 332 K C 0.559 177.322 176.600 0.272 0.000 1.210 332 K CA -0.399 56.002 56.287 0.189 0.000 1.003 332 K CB 1.219 33.838 32.500 0.197 0.000 1.009 332 K HN 0.305 nan 8.250 nan 0.000 0.577 333 A N 1.895 124.851 122.820 0.226 0.000 2.445 333 A HA 0.436 4.755 4.320 -0.002 0.000 0.242 333 A C -0.150 177.589 177.584 0.258 0.000 1.075 333 A CA 0.197 52.339 52.037 0.175 0.000 0.777 333 A CB -0.316 18.767 19.000 0.139 0.000 1.013 333 A HN 0.284 nan 8.150 nan 0.000 0.493 334 F N -0.303 119.698 119.950 0.085 0.000 2.686 334 F HA 0.636 5.162 4.527 -0.002 0.000 0.311 334 F C -0.848 175.014 175.800 0.104 0.000 1.128 334 F CA -1.279 56.755 58.000 0.058 0.000 0.946 334 F CB 1.258 40.233 39.000 -0.041 0.000 1.336 334 F HN 0.643 nan 8.300 nan 0.000 0.457 335 V N 1.870 121.950 119.914 0.277 0.000 2.555 335 V HA 0.717 4.836 4.120 -0.002 0.000 0.302 335 V C -2.302 174.033 176.094 0.402 0.000 1.038 335 V CA -0.604 61.822 62.300 0.211 0.000 0.887 335 V CB 1.580 33.431 31.823 0.048 0.000 0.991 335 V HN 0.989 nan 8.190 nan 0.000 0.434 336 Y N 4.419 124.871 120.300 0.253 0.000 2.331 336 Y HA 0.458 5.007 4.550 -0.002 0.000 0.326 336 Y C 0.306 176.282 175.900 0.126 0.000 1.020 336 Y CA -0.628 57.591 58.100 0.199 0.000 1.136 336 Y CB 1.395 39.971 38.460 0.193 0.000 1.157 336 Y HN 0.963 nan 8.280 nan 0.000 0.444 337 E N 5.158 125.083 120.200 -0.458 0.000 2.210 337 E HA -0.403 3.945 4.350 -0.002 0.000 0.201 337 E C 0.012 176.519 176.600 -0.156 0.000 1.339 337 E CA 1.237 57.418 56.400 -0.365 0.000 0.699 337 E CB -1.159 28.221 29.700 -0.532 0.000 1.126 337 E HN 1.015 nan 8.360 nan 0.000 0.355 338 N N -2.783 115.850 118.700 -0.112 0.000 2.965 338 N HA -0.196 4.543 4.740 -0.002 0.000 0.232 338 N C -0.512 174.900 175.510 -0.163 0.000 0.913 338 N CA 1.157 54.141 53.050 -0.110 0.000 0.981 338 N CB -0.412 38.016 38.487 -0.098 0.000 1.077 338 N HN 0.182 nan 8.380 nan 0.000 0.589 339 V N 1.681 121.503 119.914 -0.153 0.000 2.435 339 V HA 0.463 4.582 4.120 -0.002 0.000 0.290 339 V C 0.424 176.297 176.094 -0.369 0.000 1.030 339 V CA -0.569 61.536 62.300 -0.325 0.000 0.881 339 V CB 1.604 33.190 31.823 -0.395 0.000 0.983 339 V HN 0.093 nan 8.190 nan 0.000 0.445 340 I N 4.937 125.168 120.570 -0.566 0.000 2.342 340 I HA 0.355 4.524 4.170 -0.002 0.000 0.291 340 I C -0.971 174.759 176.117 -0.646 0.000 1.010 340 I CA -0.339 60.654 61.300 -0.512 0.000 1.308 340 I CB 0.707 38.342 38.000 -0.609 0.000 1.400 340 I HN 0.492 nan 8.210 nan 0.000 0.488 341 Y N 4.557 124.480 120.300 -0.628 0.000 2.331 341 Y HA 0.568 5.117 4.550 -0.002 0.000 0.338 341 Y C 0.340 176.002 175.900 -0.397 0.000 0.992 341 Y CA -0.799 56.835 58.100 -0.776 0.000 1.121 341 Y CB 1.892 39.331 38.460 -1.701 0.000 1.184 341 Y HN 0.586 nan 8.280 nan 0.000 0.469 342 A N 6.374 129.213 122.820 0.030 0.000 2.786 342 A HA 0.575 4.894 4.320 -0.002 0.000 0.346 342 A C -2.910 174.875 177.584 0.334 0.000 1.265 342 A CA -1.772 50.344 52.037 0.131 0.000 0.858 342 A CB -0.192 18.810 19.000 0.003 0.000 1.118 342 A HN 0.381 nan 8.150 nan 0.000 0.482 343 P HA 0.503 nan 4.420 nan 0.000 0.274 343 P C -0.710 176.851 177.300 0.435 0.000 1.231 343 P CA 0.149 63.534 63.100 0.476 0.000 0.790 343 P CB 0.403 32.371 31.700 0.446 0.000 0.951 344 Y N -1.518 118.903 120.300 0.201 0.000 2.905 344 Y HA 0.711 5.260 4.550 -0.002 0.000 0.322 344 Y C -1.459 174.548 175.900 0.178 0.000 1.455 344 Y CA -1.427 56.782 58.100 0.183 0.000 1.083 344 Y CB 0.872 39.419 38.460 0.144 0.000 1.473 344 Y HN 0.065 nan 8.280 nan 0.000 0.449 345 M N 1.590 121.387 119.600 0.329 0.000 2.321 345 M HA 0.575 5.054 4.480 -0.002 0.000 0.315 345 M C -0.489 176.054 176.300 0.405 0.000 1.052 345 M CA -0.837 54.561 55.300 0.164 0.000 0.936 345 M CB 2.350 35.026 32.600 0.128 0.000 1.639 345 M HN 0.935 nan 8.290 nan 0.000 0.433 346 G N 1.637 110.522 108.800 0.142 0.000 2.415 346 G HA2 0.617 4.576 3.960 -0.002 0.000 0.317 346 G HA3 0.617 4.576 3.960 -0.002 0.000 0.317 346 G C -0.342 174.609 174.900 0.084 0.000 1.152 346 G CA -0.281 44.974 45.100 0.259 0.000 0.956 346 G HN 0.792 nan 8.290 nan 0.000 0.458 347 S N 0.734 116.611 115.700 0.295 0.000 3.081 347 S HA 0.634 5.103 4.470 -0.002 0.000 0.316 347 S C 0.203 174.967 174.600 0.274 0.000 1.089 347 S CA 0.028 58.343 58.200 0.192 0.000 0.897 347 S CB 1.881 65.142 63.200 0.102 0.000 1.358 347 S HN 0.431 nan 8.310 nan 0.000 0.678 348 D N -0.655 119.793 120.400 0.079 0.000 2.469 348 D HA 0.252 4.891 4.640 -0.002 0.000 0.213 348 D C 0.460 176.568 176.300 -0.320 0.000 1.135 348 D CA -0.274 53.620 54.000 -0.178 0.000 0.834 348 D CB 0.056 40.862 40.800 0.011 0.000 1.009 348 D HN 0.795 nan 8.370 nan 0.000 0.507 349 R N -1.780 118.582 120.500 -0.231 0.000 2.780 349 R HA 0.251 4.590 4.340 -0.002 0.000 0.280 349 R C -1.548 174.617 176.300 -0.225 0.000 1.016 349 R CA -0.794 55.136 56.100 -0.283 0.000 0.854 349 R CB -0.222 30.020 30.300 -0.097 0.000 1.293 349 R HN -0.198 nan 8.270 nan 0.000 0.483 350 H N -0.118 118.793 119.070 -0.265 0.000 3.330 350 H HA 0.501 5.056 4.556 -0.002 0.000 0.260 350 H C 0.326 175.551 175.328 -0.171 0.000 1.439 350 H CA 1.692 57.675 56.048 -0.109 0.000 1.540 350 H CB 0.340 30.112 29.762 0.016 0.000 1.698 350 H HN 0.866 nan 8.280 nan 0.000 0.516 351 G N -0.218 108.450 108.800 -0.221 0.000 2.324 351 G HA2 0.132 4.091 3.960 -0.002 0.000 0.293 351 G HA3 0.132 4.091 3.960 -0.002 0.000 0.293 351 G C 0.065 174.845 174.900 -0.200 0.000 1.297 351 G CA -0.232 44.755 45.100 -0.188 0.000 0.853 351 G HN 0.492 nan 8.290 nan 0.000 0.535 352 V N -2.110 117.714 119.914 -0.150 0.000 3.621 352 V HA 0.504 4.623 4.120 -0.002 0.000 0.285 352 V C 1.267 177.342 176.094 -0.032 0.000 1.346 352 V CA 0.970 63.205 62.300 -0.109 0.000 1.104 352 V CB 0.101 31.856 31.823 -0.114 0.000 0.913 352 V HN 1.393 nan 8.190 nan 0.000 0.432 353 S N 1.760 117.449 115.700 -0.020 0.000 2.563 353 S HA 0.195 4.664 4.470 -0.002 0.000 0.294 353 S C 1.166 175.831 174.600 0.108 0.000 1.279 353 S CA 0.536 58.781 58.200 0.075 0.000 1.069 353 S CB -0.392 62.824 63.200 0.026 0.000 0.828 353 S HN 0.736 nan 8.310 nan 0.000 0.497 354 R N -0.417 120.201 120.500 0.196 0.000 3.946 354 R HA -0.198 4.141 4.340 -0.002 0.000 0.329 354 R C -0.209 175.961 176.300 -0.216 0.000 1.209 354 R CA 0.815 56.925 56.100 0.015 0.000 0.909 354 R CB -2.108 28.311 30.300 0.199 0.000 1.355 354 R HN 0.547 nan 8.270 nan 0.000 0.539 355 L N 1.637 122.704 121.223 -0.259 0.000 2.326 355 L HA 0.338 4.676 4.340 -0.002 0.000 0.278 355 L C -0.066 176.427 176.870 -0.627 0.000 1.092 355 L CA -0.079 54.572 54.840 -0.314 0.000 0.810 355 L CB 0.655 42.615 42.059 -0.165 0.000 1.153 355 L HN 0.040 nan 8.230 nan 0.000 0.439 356 H N 4.235 123.038 119.070 -0.445 0.000 2.547 356 H HA 0.371 4.926 4.556 -0.002 0.000 0.342 356 H C -0.702 174.419 175.328 -0.345 0.000 1.048 356 H CA -0.826 54.920 56.048 -0.503 0.000 1.204 356 H CB 2.042 31.206 29.762 -0.998 0.000 1.493 356 H HN 0.492 nan 8.280 nan 0.000 0.511 357 V N 3.427 123.237 119.914 -0.172 0.000 2.529 357 V HA 0.045 4.164 4.120 -0.002 0.000 0.292 357 V C 0.511 176.484 176.094 -0.202 0.000 1.028 357 V CA 0.533 62.713 62.300 -0.200 0.000 1.074 357 V CB 0.522 32.209 31.823 -0.226 0.000 0.958 357 V HN 0.737 nan 8.190 nan 0.000 0.481 358 S N 3.526 119.019 115.700 -0.345 0.000 2.667 358 S HA 0.849 5.318 4.470 -0.002 0.000 0.292 358 S C -1.219 173.233 174.600 -0.247 0.000 1.126 358 S CA -0.672 57.299 58.200 -0.382 0.000 0.881 358 S CB 2.149 64.944 63.200 -0.674 0.000 1.132 358 S HN 0.867 nan 8.310 nan 0.000 0.492 359 W N 0.586 121.880 121.300 -0.010 0.000 3.107 359 W HA 0.772 5.431 4.660 -0.002 0.000 0.331 359 W C -1.417 175.273 176.519 0.284 0.000 1.204 359 W CA -1.500 55.961 57.345 0.193 0.000 1.184 359 W CB -0.409 29.168 29.460 0.194 0.000 1.421 359 W HN 0.591 nan 8.180 nan 0.000 0.544 360 V N 0.074 120.351 119.914 0.605 0.000 2.994 360 V HA 0.838 4.957 4.120 -0.002 0.000 0.318 360 V C -0.485 175.723 176.094 0.190 0.000 1.085 360 V CA -1.558 60.961 62.300 0.365 0.000 0.998 360 V CB 1.626 33.614 31.823 0.274 0.000 1.063 360 V HN 0.649 nan 8.190 nan 0.000 0.447 361 K N 1.046 121.469 120.400 0.038 0.000 2.482 361 K HA 0.718 5.037 4.320 -0.002 0.000 0.257 361 K C -1.089 175.174 176.600 -0.561 0.000 0.969 361 K CA -0.546 55.502 56.287 -0.397 0.000 0.842 361 K CB 2.202 34.221 32.500 -0.800 0.000 1.359 361 K HN 0.781 nan 8.250 nan 0.000 0.441 362 S N -0.202 114.859 115.700 -1.065 0.000 2.502 362 S HA 0.500 4.969 4.470 -0.002 0.000 0.304 362 S C 0.225 174.353 174.600 -0.786 0.000 1.097 362 S CA -0.561 56.898 58.200 -1.235 0.000 1.045 362 S CB 1.150 63.066 63.200 -2.140 0.000 1.019 362 S HN 0.789 nan 8.310 nan 0.000 0.481 363 G N 2.030 110.499 108.800 -0.552 0.000 3.337 363 G HA2 0.200 4.159 3.960 -0.002 0.000 0.246 363 G HA3 0.200 4.159 3.960 -0.002 0.000 0.246 363 G C -0.071 174.656 174.900 -0.288 0.000 1.131 363 G CA -0.171 44.707 45.100 -0.370 0.000 0.773 363 G HN 0.782 nan 8.290 nan 0.000 0.544 364 D N -0.886 119.306 120.400 -0.347 0.000 2.837 364 D HA 0.149 4.788 4.640 -0.002 0.000 0.340 364 D C -0.156 175.971 176.300 -0.289 0.000 1.451 364 D CA -0.759 53.111 54.000 -0.217 0.000 0.798 364 D CB -0.250 40.521 40.800 -0.048 0.000 1.169 364 D HN -0.039 nan 8.370 nan 0.000 0.449 365 D N 0.182 120.367 120.400 -0.359 0.000 2.800 365 D HA -0.114 4.525 4.640 -0.002 0.000 0.232 365 D C 1.325 177.422 176.300 -0.339 0.000 1.137 365 D CA 1.647 55.462 54.000 -0.308 0.000 0.718 365 D CB -1.467 39.232 40.800 -0.169 0.000 1.084 365 D HN 0.760 nan 8.370 nan 0.000 0.432 366 G N -0.811 107.628 108.800 -0.602 0.000 2.195 366 G HA2 -0.366 3.593 3.960 -0.002 0.000 0.224 366 G HA3 -0.366 3.593 3.960 -0.002 0.000 0.224 366 G C 0.923 175.346 174.900 -0.794 0.000 0.990 366 G CA 0.530 45.285 45.100 -0.576 0.000 0.639 366 G HN 0.450 nan 8.290 nan 0.000 0.514 367 Q N -0.492 118.912 119.800 -0.660 0.000 2.123 367 Q HA 0.122 4.461 4.340 -0.002 0.000 0.199 367 Q C 1.053 176.925 176.000 -0.214 0.000 0.966 367 Q CA 1.600 57.112 55.803 -0.484 0.000 0.845 367 Q CB 0.217 28.667 28.738 -0.481 0.000 0.907 367 Q HN 0.421 nan 8.270 nan 0.000 0.439 368 T N -0.977 113.400 114.554 -0.294 0.000 2.900 368 T HA 0.460 4.809 4.350 -0.002 0.000 0.303 368 T C -2.121 172.324 174.700 -0.425 0.000 1.142 368 T CA -0.648 61.375 62.100 -0.129 0.000 1.007 368 T CB 0.864 69.758 68.868 0.044 0.000 1.156 368 T HN 0.128 nan 8.240 nan 0.000 0.490 369 W N 1.725 122.924 121.300 -0.169 0.000 2.882 369 W HA 0.624 5.282 4.660 -0.002 0.000 0.345 369 W C 0.454 176.892 176.519 -0.135 0.000 1.125 369 W CA -0.684 56.555 57.345 -0.176 0.000 1.167 369 W CB 1.390 30.737 29.460 -0.188 0.000 1.431 369 W HN 0.752 nan 8.180 nan 0.000 0.543 370 S N -0.392 115.360 115.700 0.088 0.000 2.655 370 S HA 0.492 4.961 4.470 -0.002 0.000 0.265 370 S C 0.013 174.656 174.600 0.072 0.000 1.240 370 S CA -0.678 57.542 58.200 0.033 0.000 0.986 370 S CB 0.633 63.825 63.200 -0.013 0.000 0.985 370 S HN 0.342 nan 8.310 nan 0.000 0.562 371 T N 3.546 118.125 114.554 0.041 0.000 2.888 371 T HA 0.294 4.643 4.350 -0.002 0.000 0.301 371 T C -2.331 172.413 174.700 0.073 0.000 1.001 371 T CA -0.409 61.710 62.100 0.032 0.000 1.147 371 T CB -0.125 68.734 68.868 -0.015 0.000 0.931 371 T HN 0.497 nan 8.240 nan 0.000 0.541 372 P HA 0.081 nan 4.420 nan 0.000 0.264 372 P C -0.294 177.023 177.300 0.028 0.000 1.183 372 P CA 0.074 63.275 63.100 0.168 0.000 0.763 372 P CB 0.445 32.276 31.700 0.218 0.000 0.807 373 E N 2.678 122.946 120.200 0.113 0.000 2.171 373 E HA 0.201 4.550 4.350 -0.002 0.000 0.271 373 E C -0.940 175.650 176.600 -0.018 0.000 0.916 373 E CA -0.767 55.631 56.400 -0.003 0.000 0.774 373 E CB 0.613 30.402 29.700 0.149 0.000 1.128 373 E HN 0.281 nan 8.360 nan 0.000 0.403 374 W N 5.746 126.961 121.300 -0.141 0.000 2.311 374 W HA 0.187 4.846 4.660 -0.002 0.000 0.310 374 W C 0.615 177.058 176.519 -0.127 0.000 1.274 374 W CA -0.553 56.681 57.345 -0.185 0.000 1.215 374 W CB 0.339 29.636 29.460 -0.271 0.000 1.227 374 W HN 0.693 nan 8.180 nan 0.000 0.523 375 L N 2.253 123.509 121.223 0.054 0.000 2.463 375 L HA 0.060 4.399 4.340 -0.002 0.000 0.219 375 L C 1.224 178.191 176.870 0.161 0.000 1.088 375 L CA 0.741 55.618 54.840 0.060 0.000 0.849 375 L CB -0.339 41.641 42.059 -0.132 0.000 1.012 375 L HN 0.307 nan 8.230 nan 0.000 0.468 376 T N -4.036 110.559 114.554 0.070 0.000 2.907 376 T HA 0.432 4.781 4.350 -0.002 0.000 0.292 376 T C -0.602 174.204 174.700 0.177 0.000 1.043 376 T CA -0.948 61.178 62.100 0.043 0.000 1.003 376 T CB 2.528 71.273 68.868 -0.205 0.000 1.084 376 T HN -0.193 nan 8.240 nan 0.000 0.483 377 D N 0.903 121.420 120.400 0.195 0.000 2.388 377 D HA 0.348 4.986 4.640 -0.002 0.000 0.254 377 D C 0.504 176.852 176.300 0.080 0.000 1.111 377 D CA -0.541 53.567 54.000 0.179 0.000 0.993 377 D CB 1.077 41.973 40.800 0.161 0.000 1.118 377 D HN 0.506 nan 8.370 nan 0.000 0.502 378 L N 1.391 122.534 121.223 -0.134 0.000 2.525 378 L HA -0.049 4.290 4.340 -0.002 0.000 0.278 378 L C 1.260 178.095 176.870 -0.057 0.000 1.218 378 L CA 0.209 54.874 54.840 -0.293 0.000 0.878 378 L CB 0.088 41.803 42.059 -0.574 0.000 1.127 378 L HN 0.337 nan 8.230 nan 0.000 0.492 379 H N 5.585 124.502 119.070 -0.256 0.000 3.038 379 H HA -0.023 4.532 4.556 -0.002 0.000 0.338 379 H C -1.686 173.594 175.328 -0.080 0.000 1.041 379 H CA -1.007 54.828 56.048 -0.355 0.000 1.394 379 H CB 1.303 30.686 29.762 -0.632 0.000 1.357 379 H HN 0.368 nan 8.280 nan 0.000 0.600 380 P HA -0.127 nan 4.420 nan 0.000 0.217 380 P C 0.484 177.888 177.300 0.174 0.000 1.148 380 P CA 1.371 64.498 63.100 0.044 0.000 0.828 380 P CB 0.326 32.003 31.700 -0.038 0.000 0.783 381 D N -2.912 117.717 120.400 0.382 0.000 2.342 381 D HA 0.011 4.650 4.640 -0.002 0.000 0.221 381 D C 0.288 176.631 176.300 0.072 0.000 1.101 381 D CA -0.274 53.833 54.000 0.178 0.000 0.837 381 D CB -0.490 40.370 40.800 0.101 0.000 0.938 381 D HN 0.203 nan 8.370 nan 0.000 0.508 382 Y N 3.009 123.301 120.300 -0.012 0.000 2.811 382 Y HA -0.012 4.537 4.550 -0.002 0.000 0.334 382 Y C -1.233 174.641 175.900 -0.044 0.000 1.247 382 Y CA -0.681 57.376 58.100 -0.071 0.000 1.526 382 Y CB 0.867 39.288 38.460 -0.066 0.000 1.284 382 Y HN -0.047 nan 8.280 nan 0.000 0.586 383 P HA 0.136 nan 4.420 nan 0.000 0.254 383 P C 0.329 177.297 177.300 -0.553 0.000 1.620 383 P CA 0.193 62.715 63.100 -0.963 0.000 1.050 383 P CB 0.431 31.673 31.700 -0.764 0.000 1.539 384 T N -0.649 113.706 114.554 -0.333 0.000 2.851 384 T HA 0.062 4.411 4.350 -0.002 0.000 0.262 384 T C 1.089 175.615 174.700 -0.290 0.000 1.043 384 T CA 1.034 62.980 62.100 -0.257 0.000 1.140 384 T CB -0.065 68.695 68.868 -0.180 0.000 0.872 384 T HN 0.128 nan 8.240 nan 0.000 0.446 385 V N -1.132 118.575 119.914 -0.345 0.000 3.130 385 V HA 0.726 4.845 4.120 -0.002 0.000 0.310 385 V C -1.114 174.752 176.094 -0.379 0.000 1.158 385 V CA -1.259 60.800 62.300 -0.402 0.000 1.029 385 V CB 2.292 33.786 31.823 -0.548 0.000 1.057 385 V HN 0.306 nan 8.190 nan 0.000 0.436 386 N N -0.816 117.680 118.700 -0.340 0.000 2.927 386 N HA 0.487 5.226 4.740 -0.002 0.000 0.248 386 N C -1.786 173.567 175.510 -0.262 0.000 1.443 386 N CA -0.626 52.275 53.050 -0.249 0.000 0.870 386 N CB 2.105 40.598 38.487 0.009 0.000 1.444 386 N HN 0.703 nan 8.380 nan 0.000 0.519 387 Y N 0.691 120.965 120.300 -0.043 0.000 2.299 387 Y HA 0.305 4.854 4.550 -0.002 0.000 0.335 387 Y C 0.616 176.462 175.900 -0.090 0.000 1.287 387 Y CA 0.253 58.286 58.100 -0.112 0.000 1.424 387 Y CB 0.353 38.678 38.460 -0.226 0.000 1.326 387 Y HN 0.328 nan 8.280 nan 0.000 0.567 388 H N -0.052 118.987 119.070 -0.052 0.000 3.079 388 H HA 0.448 5.003 4.556 -0.002 0.000 0.356 388 H C -1.860 173.377 175.328 -0.152 0.000 1.221 388 H CA -0.814 55.153 56.048 -0.136 0.000 1.185 388 H CB 1.984 31.658 29.762 -0.146 0.000 1.882 388 H HN 0.819 nan 8.280 nan 0.000 0.543 389 C N 6.046 125.042 119.300 -0.507 0.000 2.931 389 C HA 0.451 4.910 4.460 -0.002 0.000 0.370 389 C C -0.130 174.692 174.990 -0.280 0.000 1.071 389 C CA -0.388 58.445 59.018 -0.309 0.000 1.266 389 C CB 0.447 28.033 27.740 -0.257 0.000 1.691 389 C HN 0.957 nan 8.230 nan 0.000 0.511 390 M N 3.587 123.129 119.600 -0.097 0.000 2.410 390 M HA 0.254 4.732 4.480 -0.002 0.000 0.376 390 M C 0.119 176.453 176.300 0.056 0.000 1.051 390 M CA 0.290 55.610 55.300 0.034 0.000 0.949 390 M CB 0.766 33.486 32.600 0.199 0.000 1.577 390 M HN 0.632 nan 8.290 nan 0.000 0.560 391 S N 1.750 117.487 115.700 0.063 0.000 2.736 391 S HA 0.791 5.260 4.470 -0.002 0.000 0.285 391 S C -1.138 173.513 174.600 0.085 0.000 1.163 391 S CA -0.498 57.779 58.200 0.128 0.000 1.025 391 S CB 1.309 64.636 63.200 0.212 0.000 1.030 391 S HN 0.413 nan 8.310 nan 0.000 0.486 392 M N 4.801 124.416 119.600 0.024 0.000 2.426 392 M HA 0.655 5.134 4.480 -0.002 0.000 0.289 392 M C -0.908 174.985 176.300 -0.678 0.000 1.168 392 M CA -0.035 55.126 55.300 -0.233 0.000 0.933 392 M CB 1.462 34.048 32.600 -0.024 0.000 1.750 392 M HN 0.894 nan 8.290 nan 0.000 0.494 393 G N 1.660 109.607 108.800 -1.421 0.000 2.490 393 G HA2 0.587 4.546 3.960 -0.002 0.000 0.308 393 G HA3 0.587 4.546 3.960 -0.002 0.000 0.308 393 G C -2.334 171.735 174.900 -1.385 0.000 1.286 393 G CA -0.548 43.578 45.100 -1.623 0.000 0.825 393 G HN 0.676 nan 8.290 nan 0.000 0.479 394 V N -0.428 118.966 119.914 -0.867 0.000 2.540 394 V HA 0.632 4.751 4.120 -0.002 0.000 0.302 394 V C -0.671 175.446 176.094 0.039 0.000 1.035 394 V CA -0.640 61.393 62.300 -0.445 0.000 0.873 394 V CB 1.344 32.855 31.823 -0.521 0.000 0.992 394 V HN 1.034 nan 8.190 nan 0.000 0.428 395 C N 6.018 125.484 119.300 0.277 0.000 2.397 395 C HA 0.690 5.149 4.460 -0.002 0.000 0.325 395 C C 0.637 175.945 174.990 0.529 0.000 1.201 395 C CA -0.726 58.555 59.018 0.438 0.000 1.377 395 C CB 0.314 28.366 27.740 0.519 0.000 2.038 395 C HN 1.028 nan 8.230 nan 0.000 0.457 396 R N 4.195 124.897 120.500 0.337 0.000 3.251 396 R HA -0.215 4.124 4.340 -0.002 0.000 0.249 396 R C 0.520 176.946 176.300 0.212 0.000 0.949 396 R CA 1.344 57.566 56.100 0.203 0.000 0.645 396 R CB -1.907 28.376 30.300 -0.028 0.000 1.065 396 R HN 1.089 nan 8.270 nan 0.000 0.452 397 N N -1.707 117.096 118.700 0.172 0.000 2.741 397 N HA -0.247 4.492 4.740 -0.002 0.000 0.251 397 N C -0.735 174.724 175.510 -0.085 0.000 1.112 397 N CA 1.549 54.638 53.050 0.065 0.000 0.750 397 N CB -0.418 38.147 38.487 0.130 0.000 1.119 397 N HN 0.551 nan 8.380 nan 0.000 0.561 398 R N 0.214 120.697 120.500 -0.028 0.000 2.686 398 R HA 0.502 4.841 4.340 -0.002 0.000 0.286 398 R C -0.827 175.294 176.300 -0.297 0.000 0.969 398 R CA -1.016 54.959 56.100 -0.209 0.000 0.898 398 R CB 1.734 31.864 30.300 -0.283 0.000 1.183 398 R HN 0.055 nan 8.270 nan 0.000 0.456 399 L N 2.957 123.947 121.223 -0.389 0.000 2.367 399 L HA 0.371 4.710 4.340 -0.002 0.000 0.275 399 L C -1.344 175.293 176.870 -0.389 0.000 1.129 399 L CA 0.582 55.195 54.840 -0.378 0.000 0.839 399 L CB 0.206 42.163 42.059 -0.170 0.000 1.133 399 L HN 0.411 nan 8.230 nan 0.000 0.453 400 F N 4.163 123.907 119.950 -0.343 0.000 2.532 400 F HA 0.795 5.321 4.527 -0.002 0.000 0.321 400 F C 0.148 175.780 175.800 -0.280 0.000 1.089 400 F CA -0.340 57.508 58.000 -0.254 0.000 0.926 400 F CB 2.055 40.801 39.000 -0.423 0.000 1.168 400 F HN 0.603 nan 8.300 nan 0.000 0.459 401 A N 3.219 126.072 122.820 0.054 0.000 2.488 401 A HA 0.680 4.999 4.320 -0.002 0.000 0.298 401 A C -1.461 176.087 177.584 -0.061 0.000 1.044 401 A CA -0.707 51.305 52.037 -0.041 0.000 0.693 401 A CB 1.415 20.358 19.000 -0.096 0.000 1.272 401 A HN 0.708 nan 8.150 nan 0.000 0.402 402 M N 4.001 123.573 119.600 -0.047 0.000 2.135 402 M HA 0.388 4.867 4.480 -0.002 0.000 0.345 402 M C -1.117 175.054 176.300 -0.216 0.000 1.340 402 M CA -0.542 54.715 55.300 -0.072 0.000 1.162 402 M CB -0.396 32.228 32.600 0.040 0.000 1.570 402 M HN 0.462 nan 8.290 nan 0.000 0.454 403 I N 5.238 125.546 120.570 -0.435 0.000 2.291 403 I HA 0.221 4.390 4.170 -0.002 0.000 0.292 403 I C 0.181 176.110 176.117 -0.314 0.000 1.064 403 I CA -0.056 60.849 61.300 -0.659 0.000 1.269 403 I CB 0.060 37.047 38.000 -1.688 0.000 1.418 403 I HN 0.683 nan 8.210 nan 0.000 0.485 404 E N 4.042 124.168 120.200 -0.123 0.000 2.277 404 E HA 0.368 4.717 4.350 -0.002 0.000 0.274 404 E C -0.357 176.286 176.600 0.071 0.000 1.022 404 E CA -0.416 55.986 56.400 0.003 0.000 0.853 404 E CB 1.308 31.048 29.700 0.067 0.000 1.086 404 E HN 0.401 nan 8.360 nan 0.000 0.397 405 T N 3.052 117.634 114.554 0.047 0.000 2.771 405 T HA 0.438 4.787 4.350 -0.002 0.000 0.281 405 T C -0.310 174.322 174.700 -0.113 0.000 0.982 405 T CA -0.668 61.420 62.100 -0.021 0.000 0.978 405 T CB 0.614 69.478 68.868 -0.006 0.000 0.930 405 T HN 0.285 nan 8.240 nan 0.000 0.447 406 R N 1.082 121.477 120.500 -0.175 0.000 2.795 406 R HA 0.592 4.931 4.340 -0.002 0.000 0.275 406 R C -0.118 176.052 176.300 -0.216 0.000 0.981 406 R CA -1.037 54.946 56.100 -0.196 0.000 0.917 406 R CB 1.491 31.642 30.300 -0.249 0.000 1.202 406 R HN 0.709 nan 8.270 nan 0.000 0.469 407 T N -0.716 113.724 114.554 -0.190 0.000 2.913 407 T HA 0.152 4.501 4.350 -0.002 0.000 0.297 407 T C 1.188 175.779 174.700 -0.182 0.000 1.029 407 T CA -0.602 61.386 62.100 -0.187 0.000 1.104 407 T CB 0.722 69.501 68.868 -0.148 0.000 0.964 407 T HN 0.350 nan 8.240 nan 0.000 0.532 408 L N 2.426 123.531 121.223 -0.197 0.000 2.201 408 L HA 0.134 4.473 4.340 -0.002 0.000 0.212 408 L C 2.837 179.626 176.870 -0.135 0.000 1.105 408 L CA 1.800 56.533 54.840 -0.179 0.000 0.775 408 L CB -1.065 40.852 42.059 -0.237 0.000 0.913 408 L HN 0.988 nan 8.230 nan 0.000 0.440 409 A N -0.921 121.824 122.820 -0.125 0.000 1.898 409 A HA -0.131 4.188 4.320 -0.002 0.000 0.216 409 A C 2.118 179.658 177.584 -0.074 0.000 1.181 409 A CA 1.526 53.509 52.037 -0.090 0.000 0.620 409 A CB -0.086 18.864 19.000 -0.084 0.000 0.819 409 A HN 0.350 nan 8.150 nan 0.000 0.442 410 K N -2.431 117.918 120.400 -0.084 0.000 2.477 410 K HA 0.096 4.415 4.320 -0.002 0.000 0.208 410 K C -0.041 176.506 176.600 -0.089 0.000 1.117 410 K CA 0.170 56.415 56.287 -0.070 0.000 1.039 410 K CB 0.683 33.148 32.500 -0.059 0.000 0.937 410 K HN 0.322 nan 8.250 nan 0.000 0.570 411 N N 1.531 120.158 118.700 -0.122 0.000 2.714 411 N HA -0.178 4.561 4.740 -0.002 0.000 0.250 411 N C -0.768 174.644 175.510 -0.163 0.000 1.117 411 N CA 0.824 53.774 53.050 -0.167 0.000 0.719 411 N CB -1.026 37.357 38.487 -0.174 0.000 1.081 411 N HN 0.375 nan 8.380 nan 0.000 0.557 412 A N 0.204 122.946 122.820 -0.129 0.000 2.401 412 A HA 0.454 4.773 4.320 -0.002 0.000 0.259 412 A C 0.491 178.002 177.584 -0.123 0.000 1.103 412 A CA -0.426 51.546 52.037 -0.109 0.000 0.789 412 A CB 0.484 19.435 19.000 -0.081 0.000 1.035 412 A HN 0.420 nan 8.150 nan 0.000 0.491 413 L N 2.681 123.840 121.223 -0.107 0.000 2.367 413 L HA 0.386 4.725 4.340 -0.002 0.000 0.275 413 L C 0.953 177.780 176.870 -0.072 0.000 1.129 413 L CA 1.152 55.935 54.840 -0.096 0.000 0.839 413 L CB 0.867 42.883 42.059 -0.073 0.000 1.133 413 L HN 0.738 nan 8.230 nan 0.000 0.453 414 T N 3.867 118.378 114.554 -0.073 0.000 2.964 414 T HA 0.236 4.585 4.350 -0.002 0.000 0.249 414 T C 0.164 174.849 174.700 -0.026 0.000 1.000 414 T CA 0.066 62.131 62.100 -0.059 0.000 0.992 414 T CB -0.087 68.726 68.868 -0.092 0.000 1.087 414 T HN 0.670 nan 8.240 nan 0.000 0.489 415 N N -0.062 118.630 118.700 -0.013 0.000 2.446 415 N HA 0.263 5.002 4.740 -0.002 0.000 0.272 415 N C -1.975 173.547 175.510 0.019 0.000 1.127 415 N CA -0.346 52.716 53.050 0.020 0.000 0.896 415 N CB 1.791 40.316 38.487 0.063 0.000 1.658 415 N HN 0.069 nan 8.380 nan 0.000 0.483 416 C N 1.828 121.137 119.300 0.015 0.000 2.379 416 C HA 0.928 5.387 4.460 -0.002 0.000 0.323 416 C C 0.114 175.124 174.990 0.034 0.000 1.262 416 C CA -0.401 58.617 59.018 0.001 0.000 1.581 416 C CB 0.193 27.906 27.740 -0.045 0.000 2.221 416 C HN 0.706 nan 8.230 nan 0.000 0.497 417 A N 2.712 125.547 122.820 0.025 0.000 2.398 417 A HA 0.721 5.040 4.320 -0.002 0.000 0.301 417 A C -1.166 176.471 177.584 0.088 0.000 1.041 417 A CA -0.439 51.665 52.037 0.110 0.000 0.711 417 A CB 0.824 19.977 19.000 0.256 0.000 1.240 417 A HN 0.849 nan 8.150 nan 0.000 0.420 418 L N 2.939 124.261 121.223 0.165 0.000 2.315 418 L HA 0.579 4.918 4.340 -0.002 0.000 0.283 418 L C -1.304 175.770 176.870 0.339 0.000 1.089 418 L CA 0.008 54.956 54.840 0.179 0.000 0.833 418 L CB -0.206 41.941 42.059 0.146 0.000 1.170 418 L HN 0.632 nan 8.230 nan 0.000 0.442 419 W N 4.022 125.271 121.300 -0.085 0.000 2.520 419 W HA 0.527 5.186 4.660 -0.002 0.000 0.323 419 W C -0.452 176.078 176.519 0.017 0.000 1.062 419 W CA -1.194 56.083 57.345 -0.113 0.000 1.215 419 W CB 1.304 30.447 29.460 -0.528 0.000 1.340 419 W HN 0.680 nan 8.180 nan 0.000 0.516 420 D N 0.511 121.069 120.400 0.263 0.000 2.602 420 D HA 0.765 5.404 4.640 -0.002 0.000 0.236 420 D C -1.198 175.024 176.300 -0.131 0.000 1.209 420 D CA -1.070 52.847 54.000 -0.139 0.000 0.831 420 D CB 2.169 42.360 40.800 -1.016 0.000 1.478 420 D HN 0.311 nan 8.370 nan 0.000 0.438 421 R N 0.296 120.563 120.500 -0.389 0.000 2.594 421 R HA 0.420 4.759 4.340 -0.002 0.000 0.265 421 R C -2.928 173.130 176.300 -0.403 0.000 1.070 421 R CA -1.975 53.799 56.100 -0.544 0.000 0.909 421 R CB 2.181 31.783 30.300 -1.163 0.000 1.243 421 R HN 0.399 nan 8.270 nan 0.000 0.455 422 P HA 0.091 nan 4.420 nan 0.000 0.275 422 P C -0.531 176.696 177.300 -0.122 0.000 1.227 422 P CA -0.201 62.753 63.100 -0.243 0.000 0.781 422 P CB 0.667 32.236 31.700 -0.219 0.000 0.906 423 M N 1.300 120.799 119.600 -0.168 0.000 2.242 423 M HA 0.130 4.609 4.480 -0.002 0.000 0.344 423 M C 0.693 176.984 176.300 -0.014 0.000 1.140 423 M CA 0.231 55.421 55.300 -0.183 0.000 1.160 423 M CB -0.246 31.965 32.600 -0.648 0.000 1.491 423 M HN 0.280 nan 8.290 nan 0.000 0.459 424 S N 3.707 119.431 115.700 0.040 0.000 2.549 424 S HA 0.483 4.952 4.470 -0.002 0.000 0.279 424 S C -0.019 174.665 174.600 0.140 0.000 1.321 424 S CA -0.484 57.766 58.200 0.084 0.000 1.054 424 S CB 0.491 63.743 63.200 0.086 0.000 0.899 424 S HN 0.510 nan 8.310 nan 0.000 0.497 425 R N 1.126 121.683 120.500 0.096 0.000 2.680 425 R HA 0.544 4.883 4.340 -0.002 0.000 0.269 425 R C -1.433 174.864 176.300 -0.005 0.000 1.026 425 R CA -0.720 55.419 56.100 0.065 0.000 0.889 425 R CB 1.618 31.961 30.300 0.072 0.000 1.241 425 R HN 0.482 nan 8.270 nan 0.000 0.463 426 S N 1.841 117.503 115.700 -0.064 0.000 2.451 426 S HA 0.545 5.014 4.470 -0.002 0.000 0.301 426 S C -0.586 173.801 174.600 -0.354 0.000 1.116 426 S CA -0.812 57.282 58.200 -0.178 0.000 1.093 426 S CB 0.821 63.935 63.200 -0.144 0.000 1.017 426 S HN 0.282 nan 8.310 nan 0.000 0.482 427 L N 4.194 125.161 121.223 -0.427 0.000 2.341 427 L HA 0.495 4.834 4.340 -0.002 0.000 0.278 427 L C -0.584 175.899 176.870 -0.646 0.000 1.005 427 L CA -0.773 53.785 54.840 -0.470 0.000 0.818 427 L CB 1.188 43.068 42.059 -0.297 0.000 1.259 427 L HN 0.625 nan 8.230 nan 0.000 0.418 428 H N 5.336 124.313 119.070 -0.155 0.000 2.623 428 H HA 0.530 5.085 4.556 -0.002 0.000 0.299 428 H C -0.630 174.484 175.328 -0.357 0.000 1.052 428 H CA -0.374 55.549 56.048 -0.209 0.000 1.231 428 H CB 1.378 31.135 29.762 -0.008 0.000 1.389 428 H HN 0.391 nan 8.280 nan 0.000 0.469 429 L N 1.689 122.550 121.223 -0.603 0.000 2.301 429 L HA 0.499 4.838 4.340 -0.002 0.000 0.264 429 L C 0.213 176.829 176.870 -0.423 0.000 1.016 429 L CA -0.811 53.680 54.840 -0.583 0.000 0.821 429 L CB 2.274 43.814 42.059 -0.865 0.000 1.346 429 L HN 0.378 nan 8.230 nan 0.000 0.429 430 T N 0.849 115.357 114.554 -0.077 0.000 2.809 430 T HA 0.634 4.982 4.350 -0.002 0.000 0.284 430 T C 0.141 175.006 174.700 0.276 0.000 0.992 430 T CA 0.097 62.268 62.100 0.119 0.000 0.957 430 T CB 1.495 70.403 68.868 0.066 0.000 0.942 430 T HN 1.055 nan 8.240 nan 0.000 0.439 431 G N 1.999 111.047 108.800 0.413 0.000 2.698 431 G HA2 0.241 4.200 3.960 -0.002 0.000 0.233 431 G HA3 0.241 4.200 3.960 -0.002 0.000 0.233 431 G C 0.739 175.880 174.900 0.401 0.000 1.352 431 G CA 0.248 45.526 45.100 0.297 0.000 0.879 431 G HN 1.946 nan 8.290 nan 0.000 0.567 432 G N -2.033 106.888 108.800 0.202 0.000 2.175 432 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.244 432 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.244 432 G C 0.350 175.291 174.900 0.069 0.000 0.982 432 G CA 0.781 46.012 45.100 0.219 0.000 0.641 432 G HN 1.544 nan 8.290 nan 0.000 0.527 433 I N 2.229 122.723 120.570 -0.125 0.000 2.354 433 I HA 0.580 4.749 4.170 -0.002 0.000 0.292 433 I C 0.533 176.531 176.117 -0.199 0.000 0.989 433 I CA -0.169 60.964 61.300 -0.278 0.000 1.188 433 I CB 1.936 39.588 38.000 -0.579 0.000 1.342 433 I HN 0.255 nan 8.210 nan 0.000 0.457 434 T N 2.336 116.790 114.554 -0.166 0.000 2.906 434 T HA 0.598 4.947 4.350 -0.002 0.000 0.295 434 T C -0.777 173.849 174.700 -0.124 0.000 1.075 434 T CA -1.025 61.000 62.100 -0.125 0.000 1.005 434 T CB 2.462 71.281 68.868 -0.082 0.000 1.136 434 T HN 0.591 nan 8.240 nan 0.000 0.498 435 K N 0.954 121.294 120.400 -0.099 0.000 2.652 435 K HA 0.640 4.959 4.320 -0.002 0.000 0.249 435 K C -0.646 175.921 176.600 -0.054 0.000 0.986 435 K CA -0.668 55.570 56.287 -0.082 0.000 0.867 435 K CB 1.458 33.894 32.500 -0.108 0.000 1.201 435 K HN 0.989 nan 8.250 nan 0.000 0.450 436 A N 2.780 125.581 122.820 -0.032 0.000 2.371 436 A HA 0.627 4.946 4.320 -0.002 0.000 0.257 436 A C 0.150 177.723 177.584 -0.018 0.000 1.089 436 A CA -0.064 51.959 52.037 -0.023 0.000 0.794 436 A CB 0.513 19.505 19.000 -0.013 0.000 1.029 436 A HN 0.872 nan 8.150 nan 0.000 0.488 437 A N 1.967 124.776 122.820 -0.019 0.000 2.483 437 A HA 0.404 4.723 4.320 -0.002 0.000 0.238 437 A C 0.865 178.444 177.584 -0.008 0.000 1.070 437 A CA 0.370 52.397 52.037 -0.017 0.000 0.770 437 A CB -0.313 18.677 19.000 -0.017 0.000 1.008 437 A HN 1.385 nan 8.150 nan 0.000 0.497 438 N N -1.297 117.397 118.700 -0.009 0.000 2.800 438 N HA -0.186 4.553 4.740 -0.002 0.000 0.250 438 N C -0.214 175.302 175.510 0.010 0.000 1.078 438 N CA 1.785 54.834 53.050 -0.003 0.000 0.804 438 N CB -1.669 36.817 38.487 -0.002 0.000 1.135 438 N HN 1.046 nan 8.380 nan 0.000 0.565 439 Q N -1.899 117.909 119.800 0.015 0.000 2.648 439 Q HA 0.606 4.945 4.340 -0.002 0.000 0.300 439 Q C 0.030 176.042 176.000 0.021 0.000 0.954 439 Q CA -0.859 54.972 55.803 0.047 0.000 0.757 439 Q CB 0.851 29.644 28.738 0.092 0.000 1.482 439 Q HN -0.033 nan 8.270 nan 0.000 0.437 440 R N -0.655 119.852 120.500 0.013 0.000 2.404 440 R HA 0.263 4.602 4.340 -0.002 0.000 0.237 440 R C -0.428 175.742 176.300 -0.217 0.000 0.907 440 R CA 0.036 56.052 56.100 -0.139 0.000 1.063 440 R CB 0.532 30.688 30.300 -0.240 0.000 1.134 440 R HN 0.525 nan 8.270 nan 0.000 0.529 441 Y N 0.773 121.035 120.300 -0.062 0.000 2.308 441 Y HA 0.416 4.965 4.550 -0.002 0.000 0.329 441 Y C 0.489 176.326 175.900 -0.105 0.000 1.111 441 Y CA -0.744 57.314 58.100 -0.071 0.000 1.179 441 Y CB 1.328 39.761 38.460 -0.044 0.000 1.201 441 Y HN -0.043 nan 8.280 nan 0.000 0.483 442 A N 1.893 124.706 122.820 -0.012 0.000 2.317 442 A HA 0.586 4.905 4.320 -0.002 0.000 0.327 442 A C -0.123 177.388 177.584 -0.121 0.000 1.178 442 A CA -0.644 51.325 52.037 -0.114 0.000 0.817 442 A CB 0.663 19.515 19.000 -0.248 0.000 1.189 442 A HN 0.675 nan 8.150 nan 0.000 0.489 443 T N 1.743 116.217 114.554 -0.133 0.000 2.837 443 T HA 0.586 4.935 4.350 -0.002 0.000 0.285 443 T C -0.421 174.132 174.700 -0.245 0.000 0.984 443 T CA -0.527 61.472 62.100 -0.168 0.000 1.049 443 T CB 0.093 68.910 68.868 -0.085 0.000 0.947 443 T HN 0.371 nan 8.240 nan 0.000 0.472 444 I N 5.104 125.424 120.570 -0.416 0.000 2.382 444 I HA 0.253 4.422 4.170 -0.002 0.000 0.286 444 I C 0.347 176.319 176.117 -0.241 0.000 1.002 444 I CA -0.827 60.210 61.300 -0.437 0.000 1.135 444 I CB 0.960 38.429 38.000 -0.885 0.000 1.288 444 I HN 0.844 nan 8.210 nan 0.000 0.448 445 H N 6.782 125.828 119.070 -0.039 0.000 2.846 445 H HA 0.468 5.023 4.556 -0.002 0.000 0.278 445 H C -1.474 173.971 175.328 0.195 0.000 1.117 445 H CA -0.178 55.919 56.048 0.082 0.000 1.406 445 H CB 1.049 30.864 29.762 0.087 0.000 1.445 445 H HN 0.335 nan 8.280 nan 0.000 0.469 446 V N 8.519 128.361 119.914 -0.120 0.000 2.445 446 V HA 0.178 4.297 4.120 -0.002 0.000 0.283 446 V C -2.316 173.758 176.094 -0.033 0.000 1.014 446 V CA -1.636 60.664 62.300 0.000 0.000 0.852 446 V CB 1.437 33.441 31.823 0.302 0.000 1.021 446 V HN 0.773 nan 8.190 nan 0.000 0.435 447 P HA 0.084 nan 4.420 nan 0.000 0.262 447 P C 0.147 177.421 177.300 -0.044 0.000 1.182 447 P CA 0.600 63.629 63.100 -0.118 0.000 0.761 447 P CB 0.209 31.866 31.700 -0.072 0.000 0.795 448 D N 1.176 121.517 120.400 -0.098 0.000 2.708 448 D HA -0.217 4.422 4.640 -0.002 0.000 0.236 448 D C 1.230 177.436 176.300 -0.155 0.000 1.146 448 D CA 0.783 54.681 54.000 -0.171 0.000 0.662 448 D CB -1.126 39.622 40.800 -0.087 0.000 1.059 448 D HN 0.727 nan 8.370 nan 0.000 0.428 449 H N -0.761 118.308 119.070 -0.002 0.000 2.422 449 H HA -0.028 4.527 4.556 -0.002 0.000 0.298 449 H C 1.819 177.114 175.328 -0.054 0.000 1.098 449 H CA 1.475 57.528 56.048 0.008 0.000 1.315 449 H CB -0.261 29.560 29.762 0.098 0.000 1.382 449 H HN 0.387 nan 8.280 nan 0.000 0.523 450 G N 1.298 109.941 108.800 -0.262 0.000 2.168 450 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.257 450 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.257 450 G C 0.091 174.925 174.900 -0.110 0.000 0.997 450 G CA 0.586 45.630 45.100 -0.094 0.000 0.708 450 G HN 0.415 nan 8.290 nan 0.000 0.520 451 L N -0.778 120.529 121.223 0.139 0.000 2.379 451 L HA 0.806 5.145 4.340 -0.002 0.000 0.269 451 L C 0.386 177.212 176.870 -0.074 0.000 1.084 451 L CA -1.155 53.592 54.840 -0.155 0.000 0.802 451 L CB 0.761 42.624 42.059 -0.325 0.000 1.175 451 L HN -0.047 nan 8.230 nan 0.000 0.448 452 F N -0.286 119.686 119.950 0.037 0.000 2.575 452 F HA 0.432 4.958 4.527 -0.002 0.000 0.330 452 F C 0.243 176.040 175.800 -0.005 0.000 1.056 452 F CA -1.374 56.655 58.000 0.047 0.000 0.964 452 F CB 1.138 40.159 39.000 0.034 0.000 1.258 452 F HN -0.056 nan 8.300 nan 0.000 0.484 453 V N 1.827 121.886 119.914 0.242 0.000 2.681 453 V HA 0.264 4.383 4.120 -0.002 0.000 0.306 453 V C 1.022 177.176 176.094 0.101 0.000 1.077 453 V CA 1.755 64.135 62.300 0.133 0.000 1.224 453 V CB -0.093 31.792 31.823 0.104 0.000 0.879 453 V HN 1.091 nan 8.190 nan 0.000 0.494 454 G N 3.617 112.457 108.800 0.067 0.000 2.195 454 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.246 454 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.246 454 G C -0.013 174.903 174.900 0.027 0.000 0.984 454 G CA 0.099 45.227 45.100 0.045 0.000 0.633 454 G HN 0.684 nan 8.290 nan 0.000 0.525 455 D N -0.171 120.233 120.400 0.007 0.000 2.362 455 D HA 0.435 5.074 4.640 -0.002 0.000 0.242 455 D C 0.426 176.723 176.300 -0.005 0.000 1.132 455 D CA -0.351 53.634 54.000 -0.025 0.000 0.907 455 D CB 0.493 41.234 40.800 -0.098 0.000 1.195 455 D HN 0.146 nan 8.370 nan 0.000 0.429 456 F N 2.060 121.947 119.950 -0.105 0.000 2.495 456 F HA 0.269 4.795 4.527 -0.002 0.000 0.365 456 F C -0.076 175.667 175.800 -0.094 0.000 1.090 456 F CA -0.218 57.739 58.000 -0.071 0.000 1.235 456 F CB 0.450 39.411 39.000 -0.064 0.000 1.119 456 F HN 0.043 nan 8.300 nan 0.000 0.562 457 V N 4.378 123.887 119.914 -0.675 0.000 2.760 457 V HA 0.476 4.595 4.120 -0.002 0.000 0.309 457 V C -1.207 174.406 176.094 -0.801 0.000 1.077 457 V CA -1.018 60.961 62.300 -0.536 0.000 0.910 457 V CB 1.529 33.193 31.823 -0.265 0.000 1.008 457 V HN 0.875 nan 8.190 nan 0.000 0.424 458 N N 2.623 120.986 118.700 -0.562 0.000 2.284 458 N HA 0.610 5.349 4.740 -0.002 0.000 0.300 458 N C -1.978 173.313 175.510 -0.365 0.000 1.047 458 N CA -0.363 52.503 53.050 -0.306 0.000 0.821 458 N CB 2.218 40.749 38.487 0.073 0.000 1.337 458 N HN 0.637 nan 8.380 nan 0.000 0.482 459 F N 0.599 120.612 119.950 0.105 0.000 2.508 459 F HA 0.454 4.980 4.527 -0.002 0.000 0.325 459 F C 0.250 176.164 175.800 0.190 0.000 1.090 459 F CA -0.487 57.626 58.000 0.189 0.000 0.945 459 F CB 2.153 41.215 39.000 0.104 0.000 1.156 459 F HN 0.235 nan 8.300 nan 0.000 0.463 460 S N 1.990 117.959 115.700 0.448 0.000 2.547 460 S HA 0.329 4.798 4.470 -0.002 0.000 0.281 460 S C -0.443 174.402 174.600 0.409 0.000 1.118 460 S CA -1.115 57.302 58.200 0.360 0.000 0.947 460 S CB 1.563 64.956 63.200 0.321 0.000 1.053 460 S HN 0.757 nan 8.310 nan 0.000 0.482 461 N N 0.941 119.812 118.700 0.285 0.000 2.741 461 N HA -0.207 4.532 4.740 -0.002 0.000 0.250 461 N C 1.264 176.905 175.510 0.219 0.000 1.115 461 N CA 1.024 54.220 53.050 0.243 0.000 0.724 461 N CB -1.475 37.189 38.487 0.294 0.000 1.090 461 N HN 0.817 nan 8.380 nan 0.000 0.558 462 S N -0.154 115.633 115.700 0.145 0.000 2.383 462 S HA 0.050 4.519 4.470 -0.002 0.000 0.229 462 S C 1.469 175.985 174.600 -0.140 0.000 1.030 462 S CA 1.883 60.033 58.200 -0.083 0.000 1.002 462 S CB -0.169 62.895 63.200 -0.226 0.000 0.829 462 S HN 1.421 nan 8.310 nan 0.000 0.467 463 A N -0.875 121.909 122.820 -0.061 0.000 2.887 463 A HA -0.072 4.247 4.320 -0.002 0.000 0.257 463 A C 0.245 177.763 177.584 -0.111 0.000 1.372 463 A CA 0.747 52.747 52.037 -0.061 0.000 0.879 463 A CB -2.353 16.628 19.000 -0.032 0.000 1.082 463 A HN 1.100 nan 8.150 nan 0.000 0.703 464 V N 1.175 120.994 119.914 -0.159 0.000 2.447 464 V HA 0.416 4.535 4.120 -0.002 0.000 0.292 464 V C 0.641 176.634 176.094 -0.168 0.000 1.021 464 V CA -0.038 62.153 62.300 -0.183 0.000 0.850 464 V CB 1.575 33.236 31.823 -0.268 0.000 1.005 464 V HN 0.520 nan 8.190 nan 0.000 0.426 465 T N 3.843 118.322 114.554 -0.126 0.000 2.849 465 T HA 0.336 4.685 4.350 -0.002 0.000 0.289 465 T C 1.351 175.969 174.700 -0.136 0.000 1.010 465 T CA 1.400 63.435 62.100 -0.108 0.000 1.161 465 T CB 0.340 69.158 68.868 -0.083 0.000 0.989 465 T HN 1.535 nan 8.240 nan 0.000 0.523 466 G N 2.171 110.895 108.800 -0.127 0.000 2.217 466 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.246 466 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.246 466 G C 0.190 174.971 174.900 -0.197 0.000 0.990 466 G CA -0.142 44.872 45.100 -0.143 0.000 0.627 466 G HN 0.815 nan 8.290 nan 0.000 0.522 467 V N 1.540 121.296 119.914 -0.262 0.000 2.288 467 V HA 0.745 4.864 4.120 -0.002 0.000 0.266 467 V C 0.267 176.205 176.094 -0.261 0.000 1.048 467 V CA 0.346 62.378 62.300 -0.446 0.000 0.842 467 V CB 0.877 32.299 31.823 -0.669 0.000 1.064 467 V HN 0.876 nan 8.190 nan 0.000 0.472 468 S N 3.435 119.080 115.700 -0.092 0.000 2.556 468 S HA 0.703 5.172 4.470 -0.002 0.000 0.280 468 S C -0.015 174.668 174.600 0.139 0.000 1.141 468 S CA 0.641 58.888 58.200 0.079 0.000 0.883 468 S CB 1.441 64.656 63.200 0.024 0.000 1.103 468 S HN 1.976 nan 8.310 nan 0.000 0.453 469 G N 3.599 112.509 108.800 0.182 0.000 2.601 469 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.252 469 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.252 469 G C -1.148 173.829 174.900 0.128 0.000 1.294 469 G CA 0.258 45.444 45.100 0.144 0.000 0.912 469 G HN 0.862 nan 8.290 nan 0.000 0.574 470 D N 1.327 121.771 120.400 0.073 0.000 2.371 470 D HA 0.572 5.211 4.640 -0.002 0.000 0.256 470 D C 0.945 177.191 176.300 -0.090 0.000 1.193 470 D CA 0.774 54.738 54.000 -0.059 0.000 0.881 470 D CB 0.715 41.595 40.800 0.132 0.000 1.143 470 D HN 0.519 nan 8.370 nan 0.000 0.473 471 M N 0.434 119.896 119.600 -0.229 0.000 2.846 471 M HA 0.436 4.915 4.480 -0.002 0.000 0.282 471 M C -0.149 176.048 176.300 -0.171 0.000 1.266 471 M CA -0.861 54.391 55.300 -0.079 0.000 0.766 471 M CB 2.374 35.043 32.600 0.115 0.000 1.739 471 M HN 0.253 nan 8.290 nan 0.000 0.442 472 T N -1.601 112.933 114.554 -0.032 0.000 2.906 472 T HA 0.651 5.000 4.350 -0.002 0.000 0.295 472 T C -0.541 174.197 174.700 0.063 0.000 1.061 472 T CA -0.897 61.193 62.100 -0.017 0.000 1.000 472 T CB 1.323 70.199 68.868 0.014 0.000 1.103 472 T HN 0.371 nan 8.240 nan 0.000 0.486 473 V N 2.515 122.447 119.914 0.029 0.000 2.493 473 V HA 0.372 4.491 4.120 -0.002 0.000 0.292 473 V C 1.529 177.704 176.094 0.136 0.000 1.016 473 V CA 0.592 62.944 62.300 0.086 0.000 1.097 473 V CB -0.191 31.585 31.823 -0.079 0.000 0.947 473 V HN 1.210 nan 8.190 nan 0.000 0.479 474 A N 4.689 127.635 122.820 0.209 0.000 1.887 474 A HA 0.251 4.570 4.320 -0.002 0.000 0.212 474 A C 1.123 178.816 177.584 0.181 0.000 1.198 474 A CA 1.192 53.359 52.037 0.218 0.000 0.628 474 A CB 0.081 19.291 19.000 0.349 0.000 0.847 474 A HN 0.881 nan 8.150 nan 0.000 0.449 475 T N -3.330 111.332 114.554 0.180 0.000 2.883 475 T HA 0.530 4.879 4.350 -0.002 0.000 0.301 475 T C -0.866 173.946 174.700 0.187 0.000 1.158 475 T CA -0.051 62.126 62.100 0.127 0.000 1.007 475 T CB 1.261 70.147 68.868 0.031 0.000 1.186 475 T HN 1.117 nan 8.240 nan 0.000 0.499 476 V N 2.407 122.434 119.914 0.188 0.000 2.370 476 V HA 0.563 4.682 4.120 -0.002 0.000 0.283 476 V C 0.702 176.916 176.094 0.199 0.000 1.023 476 V CA -0.688 61.765 62.300 0.255 0.000 0.857 476 V CB 0.344 32.383 31.823 0.360 0.000 0.985 476 V HN 1.000 nan 8.190 nan 0.000 0.443 477 I N 3.692 124.380 120.570 0.197 0.000 2.235 477 I HA 0.124 4.293 4.170 -0.002 0.000 0.241 477 I C 0.891 177.101 176.117 0.154 0.000 1.085 477 I CA 1.541 62.922 61.300 0.136 0.000 1.378 477 I CB 0.050 38.115 38.000 0.110 0.000 1.076 477 I HN 0.996 nan 8.210 nan 0.000 0.415 478 D N -1.347 119.183 120.400 0.218 0.000 3.145 478 D HA 0.028 4.667 4.640 -0.002 0.000 0.345 478 D C 0.439 176.863 176.300 0.207 0.000 1.391 478 D CA -0.614 53.494 54.000 0.179 0.000 0.930 478 D CB 0.230 41.105 40.800 0.125 0.000 1.451 478 D HN -0.039 nan 8.370 nan 0.000 0.555 479 K N -0.918 119.525 120.400 0.072 0.000 2.211 479 K HA -0.029 4.290 4.320 -0.002 0.000 0.203 479 K C -0.018 176.485 176.600 -0.161 0.000 1.050 479 K CA 1.460 57.680 56.287 -0.113 0.000 0.945 479 K CB -0.174 32.242 32.500 -0.141 0.000 0.732 479 K HN 0.222 nan 8.250 nan 0.000 0.451 480 D N -0.193 120.271 120.400 0.106 0.000 2.398 480 D HA 0.110 4.749 4.640 -0.002 0.000 0.210 480 D C -0.719 175.784 176.300 0.338 0.000 1.094 480 D CA 0.051 54.153 54.000 0.170 0.000 0.839 480 D CB 0.310 41.197 40.800 0.144 0.000 0.963 480 D HN 0.264 nan 8.370 nan 0.000 0.506 481 N N -0.026 118.946 118.700 0.453 0.000 2.287 481 N HA 0.476 5.215 4.740 -0.002 0.000 0.289 481 N C -1.130 174.546 175.510 0.276 0.000 1.066 481 N CA -0.819 52.398 53.050 0.279 0.000 0.841 481 N CB 2.088 40.695 38.487 0.200 0.000 1.599 481 N HN -0.096 nan 8.380 nan 0.000 0.476 482 F N -1.644 118.294 119.950 -0.020 0.000 2.664 482 F HA 0.854 5.380 4.527 -0.002 0.000 0.317 482 F C -0.417 175.391 175.800 0.012 0.000 1.108 482 F CA -0.974 56.991 58.000 -0.058 0.000 0.957 482 F CB 1.152 39.996 39.000 -0.261 0.000 1.365 482 F HN 0.345 nan 8.300 nan 0.000 0.475 483 T N -0.133 114.545 114.554 0.207 0.000 2.932 483 T HA 0.806 5.155 4.350 -0.002 0.000 0.289 483 T C -0.847 174.023 174.700 0.284 0.000 1.039 483 T CA -0.383 61.796 62.100 0.132 0.000 1.024 483 T CB 1.545 70.501 68.868 0.147 0.000 1.090 483 T HN 1.575 nan 8.240 nan 0.000 0.496 484 V N 0.071 120.087 119.914 0.171 0.000 2.876 484 V HA 0.813 4.932 4.120 -0.002 0.000 0.312 484 V C -0.844 175.260 176.094 0.016 0.000 1.085 484 V CA -1.327 61.055 62.300 0.137 0.000 0.945 484 V CB 1.478 33.344 31.823 0.071 0.000 1.017 484 V HN 0.979 nan 8.190 nan 0.000 0.428 485 L N 4.417 125.588 121.223 -0.088 0.000 2.260 485 L HA 0.687 5.026 4.340 -0.002 0.000 0.289 485 L C 0.680 177.388 176.870 -0.270 0.000 1.057 485 L CA 0.654 55.260 54.840 -0.390 0.000 0.811 485 L CB 0.964 42.772 42.059 -0.418 0.000 1.184 485 L HN 1.163 nan 8.230 nan 0.000 0.429 486 T N 2.546 116.930 114.554 -0.283 0.000 2.874 486 T HA 0.488 4.837 4.350 -0.002 0.000 0.281 486 T C -1.811 172.782 174.700 -0.179 0.000 0.994 486 T CA -1.515 60.462 62.100 -0.205 0.000 1.015 486 T CB 0.967 69.720 68.868 -0.191 0.000 1.028 486 T HN 0.561 nan 8.240 nan 0.000 0.523 487 P HA 0.113 nan 4.420 nan 0.000 0.242 487 P C -0.082 177.162 177.300 -0.093 0.000 1.197 487 P CA 0.348 63.387 63.100 -0.101 0.000 0.765 487 P CB -0.148 31.509 31.700 -0.073 0.000 0.936 488 N N -0.602 118.036 118.700 -0.103 0.000 2.732 488 N HA 0.310 5.049 4.740 -0.002 0.000 0.259 488 N C -1.138 174.322 175.510 -0.083 0.000 1.402 488 N CA -0.765 52.236 53.050 -0.082 0.000 0.829 488 N CB 1.750 40.197 38.487 -0.067 0.000 1.495 488 N HN -0.061 nan 8.380 nan 0.000 0.511 489 Q N -0.769 118.994 119.800 -0.062 0.000 2.544 489 Q HA 0.530 4.869 4.340 -0.002 0.000 0.291 489 Q C -1.705 174.270 176.000 -0.041 0.000 1.068 489 Q CA -0.765 55.007 55.803 -0.051 0.000 0.785 489 Q CB 2.499 31.214 28.738 -0.039 0.000 1.481 489 Q HN 0.751 nan 8.270 nan 0.000 0.430 490 Q N -0.953 118.825 119.800 -0.036 0.000 2.630 490 Q HA 0.374 4.713 4.340 -0.002 0.000 0.295 490 Q C -0.452 175.533 176.000 -0.025 0.000 0.944 490 Q CA -0.455 55.330 55.803 -0.031 0.000 0.766 490 Q CB 1.332 30.049 28.738 -0.035 0.000 1.471 490 Q HN 0.773 nan 8.270 nan 0.000 0.416 491 T N -2.433 112.108 114.554 -0.022 0.000 3.160 491 T HA 0.091 4.440 4.350 -0.002 0.000 0.257 491 T C 0.615 175.304 174.700 -0.019 0.000 1.147 491 T CA 0.574 62.663 62.100 -0.018 0.000 1.064 491 T CB -0.298 68.560 68.868 -0.015 0.000 0.949 491 T HN 0.602 nan 8.240 nan 0.000 0.526 492 S N 0.091 115.778 115.700 -0.023 0.000 2.599 492 S HA 0.567 5.036 4.470 -0.002 0.000 0.287 492 S C -1.569 173.013 174.600 -0.030 0.000 1.105 492 S CA -1.063 57.122 58.200 -0.024 0.000 0.899 492 S CB 1.829 65.015 63.200 -0.023 0.000 1.100 492 S HN 0.054 nan 8.310 nan 0.000 0.482 493 D N 1.143 121.525 120.400 -0.030 0.000 2.372 493 D HA 0.428 5.067 4.640 -0.002 0.000 0.243 493 D C -0.392 175.881 176.300 -0.045 0.000 1.121 493 D CA 0.168 54.147 54.000 -0.036 0.000 0.898 493 D CB 0.528 41.308 40.800 -0.033 0.000 1.202 493 D HN 0.498 nan 8.370 nan 0.000 0.428 494 L N 2.278 123.466 121.223 -0.058 0.000 2.346 494 L HA 0.448 4.787 4.340 -0.002 0.000 0.274 494 L C -0.015 176.807 176.870 -0.080 0.000 1.007 494 L CA -0.746 54.051 54.840 -0.071 0.000 0.818 494 L CB 1.473 43.478 42.059 -0.090 0.000 1.284 494 L HN 0.232 nan 8.230 nan 0.000 0.424 495 N N 1.674 120.328 118.700 -0.077 0.000 2.542 495 N HA 0.105 4.844 4.740 -0.002 0.000 0.288 495 N C -0.867 174.600 175.510 -0.073 0.000 1.115 495 N CA -0.505 52.498 53.050 -0.077 0.000 0.924 495 N CB 1.307 39.763 38.487 -0.052 0.000 1.526 495 N HN 0.616 nan 8.380 nan 0.000 0.515 496 N N 2.207 120.848 118.700 -0.099 0.000 2.346 496 N HA 0.121 4.860 4.740 -0.002 0.000 0.225 496 N C -0.066 175.439 175.510 -0.008 0.000 1.144 496 N CA -0.345 52.657 53.050 -0.079 0.000 0.837 496 N CB -0.174 38.212 38.487 -0.170 0.000 1.069 496 N HN 0.499 nan 8.380 nan 0.000 0.487 497 A N -0.372 122.449 122.820 0.001 0.000 2.565 497 A HA 0.435 4.754 4.320 -0.002 0.000 0.237 497 A C 1.609 179.219 177.584 0.043 0.000 1.053 497 A CA 0.582 52.638 52.037 0.032 0.000 0.755 497 A CB -0.778 18.230 19.000 0.014 0.000 0.980 497 A HN 1.015 nan 8.150 nan 0.000 0.506 498 G N 1.249 110.088 108.800 0.065 0.000 2.267 498 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.257 498 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.257 498 G C 0.419 175.366 174.900 0.078 0.000 0.998 498 G CA 0.774 45.911 45.100 0.061 0.000 0.620 498 G HN 0.775 nan 8.290 nan 0.000 0.529 499 K N 1.185 121.648 120.400 0.105 0.000 2.110 499 K HA 0.459 4.778 4.320 -0.002 0.000 0.263 499 K C -0.060 176.668 176.600 0.213 0.000 0.975 499 K CA -0.708 55.654 56.287 0.125 0.000 0.895 499 K CB 0.708 33.264 32.500 0.094 0.000 1.060 499 K HN 0.272 nan 8.250 nan 0.000 0.448 500 N N 3.090 121.880 118.700 0.151 0.000 2.438 500 N HA 0.346 5.085 4.740 -0.002 0.000 0.282 500 N C -0.427 175.143 175.510 0.101 0.000 1.037 500 N CA -0.314 52.784 53.050 0.079 0.000 0.942 500 N CB 1.333 39.816 38.487 -0.007 0.000 1.136 500 N HN 0.517 nan 8.380 nan 0.000 0.481 501 W N 0.981 122.138 121.300 -0.238 0.000 3.039 501 W HA 0.478 5.137 4.660 -0.002 0.000 0.354 501 W C -1.443 174.778 176.519 -0.495 0.000 1.206 501 W CA -0.606 56.583 57.345 -0.260 0.000 1.134 501 W CB 0.251 29.700 29.460 -0.017 0.000 1.493 501 W HN 0.394 nan 8.180 nan 0.000 0.591 502 H N 0.745 119.952 119.070 0.229 0.000 2.768 502 H HA 0.724 5.279 4.556 -0.002 0.000 0.371 502 H C -0.619 174.747 175.328 0.063 0.000 1.151 502 H CA -0.869 55.161 56.048 -0.030 0.000 1.165 502 H CB 3.019 32.830 29.762 0.081 0.000 1.722 502 H HN 0.347 nan 8.280 nan 0.000 0.543 503 M N 0.884 120.447 119.600 -0.061 0.000 2.550 503 M HA 0.535 5.014 4.480 -0.002 0.000 0.292 503 M C -0.410 175.827 176.300 -0.105 0.000 1.221 503 M CA -0.092 55.152 55.300 -0.092 0.000 0.873 503 M CB 2.180 34.728 32.600 -0.088 0.000 1.727 503 M HN 0.973 nan 8.290 nan 0.000 0.459 504 G N 0.865 109.631 108.800 -0.057 0.000 2.456 504 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.208 504 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.208 504 G C -0.293 174.636 174.900 0.047 0.000 1.004 504 G CA 0.071 45.136 45.100 -0.058 0.000 0.791 504 G HN 0.903 nan 8.290 nan 0.000 0.537 505 T N -1.854 112.750 114.554 0.082 0.000 2.952 505 T HA 0.789 5.138 4.350 -0.002 0.000 0.286 505 T C -0.288 174.504 174.700 0.154 0.000 1.024 505 T CA -0.093 62.090 62.100 0.139 0.000 1.029 505 T CB 2.409 71.299 68.868 0.036 0.000 1.094 505 T HN 1.077 nan 8.240 nan 0.000 0.515 506 S N 0.517 116.288 115.700 0.119 0.000 2.668 506 S HA 0.379 4.848 4.470 -0.002 0.000 0.277 506 S C -0.041 174.510 174.600 -0.082 0.000 1.170 506 S CA -0.840 57.334 58.200 -0.045 0.000 0.994 506 S CB 0.790 63.752 63.200 -0.395 0.000 1.051 506 S HN 0.742 nan 8.310 nan 0.000 0.484 507 F N 4.894 124.674 119.950 -0.284 0.000 2.113 507 F HA -0.035 4.491 4.527 -0.002 0.000 0.297 507 F C 2.106 177.602 175.800 -0.506 0.000 1.103 507 F CA 1.831 59.556 58.000 -0.459 0.000 1.248 507 F CB -0.012 38.663 39.000 -0.542 0.000 0.999 507 F HN 0.800 nan 8.300 nan 0.000 0.475 508 H N 0.009 119.051 119.070 -0.047 0.000 2.428 508 H HA 0.037 4.592 4.556 -0.002 0.000 0.296 508 H C 1.460 176.642 175.328 -0.244 0.000 1.062 508 H CA 1.054 57.015 56.048 -0.145 0.000 1.350 508 H CB -0.120 29.633 29.762 -0.015 0.000 1.403 508 H HN 0.258 nan 8.280 nan 0.000 0.533 509 K N 1.207 121.491 120.400 -0.193 0.000 2.387 509 K HA 0.189 4.508 4.320 -0.002 0.000 0.198 509 K C 0.190 176.720 176.600 -0.116 0.000 1.022 509 K CA 0.043 56.211 56.287 -0.198 0.000 1.128 509 K CB 0.805 33.041 32.500 -0.440 0.000 0.853 509 K HN -0.013 nan 8.250 nan 0.000 0.523 510 S N 2.380 117.953 115.700 -0.212 0.000 2.501 510 S HA 0.420 4.889 4.470 -0.002 0.000 0.301 510 S C -2.509 171.885 174.600 -0.343 0.000 1.096 510 S CA -1.264 56.814 58.200 -0.205 0.000 1.063 510 S CB 2.162 65.236 63.200 -0.210 0.000 1.042 510 S HN 0.051 nan 8.310 nan 0.000 0.494 511 P HA 0.219 nan 4.420 nan 0.000 0.277 511 P C -1.083 176.019 177.300 -0.331 0.000 1.240 511 P CA -0.675 62.269 63.100 -0.261 0.000 0.798 511 P CB 0.470 32.096 31.700 -0.123 0.000 0.979 512 W N 1.614 122.700 121.300 -0.355 0.000 2.223 512 W HA 0.201 4.859 4.660 -0.002 0.000 0.334 512 W C 1.498 177.828 176.519 -0.314 0.000 1.334 512 W CA -0.061 57.050 57.345 -0.390 0.000 1.246 512 W CB 0.190 29.287 29.460 -0.605 0.000 1.184 512 W HN 0.269 nan 8.180 nan 0.000 0.563 513 R N 3.667 124.193 120.500 0.044 0.000 2.265 513 R HA 0.252 4.591 4.340 -0.002 0.000 0.314 513 R C -0.741 175.527 176.300 -0.054 0.000 1.053 513 R CA -0.380 55.721 56.100 0.002 0.000 0.931 513 R CB 0.357 30.701 30.300 0.074 0.000 1.024 513 R HN 0.441 nan 8.270 nan 0.000 0.457 514 K N 3.017 123.329 120.400 -0.147 0.000 2.450 514 K HA 0.253 4.572 4.320 -0.002 0.000 0.257 514 K C -1.207 175.381 176.600 -0.021 0.000 0.953 514 K CA -0.577 55.596 56.287 -0.190 0.000 0.844 514 K CB 2.382 34.583 32.500 -0.499 0.000 1.103 514 K HN 0.460 nan 8.250 nan 0.000 0.429 515 T N 1.882 116.490 114.554 0.090 0.000 2.788 515 T HA 0.078 4.427 4.350 -0.002 0.000 0.296 515 T C -0.761 174.018 174.700 0.132 0.000 1.009 515 T CA -0.608 61.552 62.100 0.099 0.000 0.949 515 T CB 0.689 69.632 68.868 0.125 0.000 0.946 515 T HN 0.409 nan 8.240 nan 0.000 0.453 516 D N 2.805 123.266 120.400 0.102 0.000 2.383 516 D HA 0.146 4.785 4.640 -0.002 0.000 0.252 516 D C 0.626 176.987 176.300 0.102 0.000 1.166 516 D CA -0.316 53.747 54.000 0.106 0.000 0.879 516 D CB 0.753 41.601 40.800 0.080 0.000 1.164 516 D HN 0.431 nan 8.370 nan 0.000 0.462 517 L N 2.889 124.172 121.223 0.100 0.000 2.693 517 L HA 0.368 4.707 4.340 -0.002 0.000 0.235 517 L C 1.478 178.387 176.870 0.065 0.000 1.127 517 L CA -0.021 54.882 54.840 0.105 0.000 0.914 517 L CB -0.413 41.706 42.059 0.101 0.000 1.193 517 L HN 0.683 nan 8.230 nan 0.000 0.502 518 G N 1.371 110.202 108.800 0.052 0.000 2.642 518 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.231 518 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.231 518 G C -0.821 174.089 174.900 0.017 0.000 1.338 518 G CA -0.356 44.765 45.100 0.035 0.000 0.883 518 G HN 0.006 nan 8.290 nan 0.000 0.570 519 L N 1.271 122.499 121.223 0.009 0.000 2.328 519 L HA 0.576 4.915 4.340 -0.002 0.000 0.280 519 L C 0.912 177.777 176.870 -0.008 0.000 1.111 519 L CA -0.600 54.238 54.840 -0.003 0.000 0.909 519 L CB -0.223 41.833 42.059 -0.004 0.000 1.277 519 L HN 0.441 nan 8.230 nan 0.000 0.433 520 I N 7.562 128.112 120.570 -0.033 0.000 2.742 520 I HA 0.037 4.206 4.170 -0.002 0.000 0.287 520 I C -1.555 174.558 176.117 -0.006 0.000 1.186 520 I CA -1.181 60.087 61.300 -0.053 0.000 1.417 520 I CB -0.064 37.806 38.000 -0.217 0.000 1.377 520 I HN 0.491 nan 8.210 nan 0.000 0.556 521 P HA -0.037 nan 4.420 nan 0.000 0.271 521 P C 0.232 177.574 177.300 0.070 0.000 1.218 521 P CA 0.064 63.188 63.100 0.040 0.000 0.780 521 P CB 1.107 32.831 31.700 0.040 0.000 0.901 522 S N 0.393 116.137 115.700 0.074 0.000 3.628 522 S HA -0.093 4.376 4.470 -0.002 0.000 0.373 522 S C -0.500 174.196 174.600 0.160 0.000 0.968 522 S CA 0.446 58.712 58.200 0.110 0.000 1.215 522 S CB -1.719 61.557 63.200 0.127 0.000 0.912 522 S HN 0.307 nan 8.310 nan 0.000 0.495 523 V N 2.096 122.079 119.914 0.116 0.000 2.638 523 V HA 0.503 4.622 4.120 -0.002 0.000 0.306 523 V C 1.079 177.195 176.094 0.037 0.000 1.052 523 V CA -0.102 62.286 62.300 0.147 0.000 0.885 523 V CB 2.000 33.908 31.823 0.142 0.000 0.999 523 V HN 0.533 nan 8.190 nan 0.000 0.424 524 T N 2.498 117.015 114.554 -0.062 0.000 2.988 524 T HA 0.239 4.588 4.350 -0.002 0.000 0.240 524 T C 0.272 174.893 174.700 -0.131 0.000 1.014 524 T CA 0.558 62.561 62.100 -0.162 0.000 1.155 524 T CB 0.290 68.960 68.868 -0.331 0.000 0.872 524 T HN 0.664 nan 8.240 nan 0.000 0.440 525 E N 0.383 120.493 120.200 -0.149 0.000 2.331 525 E HA 0.523 4.872 4.350 -0.002 0.000 0.275 525 E C -1.662 175.075 176.600 0.229 0.000 0.895 525 E CA -0.491 55.955 56.400 0.076 0.000 0.753 525 E CB 3.095 32.905 29.700 0.182 0.000 1.216 525 E HN -0.072 nan 8.360 nan 0.000 0.434 526 V N 2.341 122.425 119.914 0.282 0.000 2.481 526 V HA 0.397 4.516 4.120 -0.002 0.000 0.286 526 V C -0.625 175.702 176.094 0.389 0.000 1.042 526 V CA -0.350 62.168 62.300 0.363 0.000 0.928 526 V CB 1.099 33.101 31.823 0.298 0.000 0.986 526 V HN 0.685 nan 8.190 nan 0.000 0.462 527 H N 2.725 121.972 119.070 0.295 0.000 3.087 527 H HA 0.556 5.111 4.556 -0.002 0.000 0.348 527 H C -0.552 174.948 175.328 0.287 0.000 1.092 527 H CA 0.694 56.905 56.048 0.273 0.000 1.285 527 H CB 1.498 31.429 29.762 0.282 0.000 1.875 527 H HN 0.926 nan 8.280 nan 0.000 0.512 528 S N 2.977 118.598 115.700 -0.132 0.000 3.461 528 S HA -0.131 4.338 4.470 -0.002 0.000 0.820 528 S C -1.578 173.174 174.600 0.254 0.000 1.142 528 S CA 0.212 58.429 58.200 0.029 0.000 1.078 528 S CB -0.630 62.646 63.200 0.127 0.000 0.674 528 S HN 0.773 nan 8.310 nan 0.000 0.333 529 F N 2.413 122.419 119.950 0.093 0.000 2.588 529 F HA 0.666 5.192 4.527 -0.002 0.000 0.318 529 F C -0.419 175.450 175.800 0.115 0.000 1.155 529 F CA 0.400 58.455 58.000 0.091 0.000 0.967 529 F CB 1.551 40.547 39.000 -0.008 0.000 1.236 529 F HN 0.950 nan 8.300 nan 0.000 0.455 530 A N 4.153 126.917 122.820 -0.094 0.000 2.363 530 A HA 0.553 4.872 4.320 -0.002 0.000 0.296 530 A C -0.595 176.956 177.584 -0.055 0.000 1.237 530 A CA -0.580 51.489 52.037 0.052 0.000 0.773 530 A CB 0.544 19.622 19.000 0.130 0.000 1.153 530 A HN 0.648 nan 8.150 nan 0.000 0.473 531 T N 3.717 118.361 114.554 0.150 0.000 2.867 531 T HA 0.140 4.489 4.350 -0.002 0.000 0.297 531 T C 1.363 176.126 174.700 0.104 0.000 0.989 531 T CA 0.098 62.317 62.100 0.199 0.000 1.159 531 T CB 0.151 69.202 68.868 0.305 0.000 0.928 531 T HN 0.462 nan 8.240 nan 0.000 0.538 532 I N 2.064 122.635 120.570 0.002 0.000 2.628 532 I HA 0.157 4.326 4.170 -0.002 0.000 0.255 532 I C 1.009 177.134 176.117 0.014 0.000 1.119 532 I CA 0.827 61.964 61.300 -0.272 0.000 1.448 532 I CB -0.442 37.317 38.000 -0.401 0.000 1.133 532 I HN 0.721 nan 8.210 nan 0.000 0.438 533 D N -2.140 118.317 120.400 0.094 0.000 3.145 533 D HA 0.023 4.661 4.640 -0.002 0.000 0.345 533 D C 0.284 176.667 176.300 0.138 0.000 1.391 533 D CA -0.532 53.544 54.000 0.127 0.000 0.930 533 D CB -0.064 40.798 40.800 0.103 0.000 1.451 533 D HN -0.346 nan 8.370 nan 0.000 0.555 534 N N -0.989 117.772 118.700 0.102 0.000 2.520 534 N HA 0.008 4.747 4.740 -0.002 0.000 0.185 534 N C 0.262 175.812 175.510 0.066 0.000 1.068 534 N CA 0.675 53.765 53.050 0.067 0.000 0.911 534 N CB -0.203 38.289 38.487 0.008 0.000 0.961 534 N HN 0.290 nan 8.380 nan 0.000 0.446 535 N N -1.428 117.343 118.700 0.119 0.000 2.382 535 N HA 0.188 4.927 4.740 -0.002 0.000 0.200 535 N C 0.722 176.352 175.510 0.200 0.000 1.122 535 N CA 0.476 53.621 53.050 0.159 0.000 0.870 535 N CB 1.299 39.836 38.487 0.083 0.000 1.176 535 N HN 0.131 nan 8.380 nan 0.000 0.474 536 G N -0.125 108.734 108.800 0.099 0.000 2.634 536 G HA2 0.570 4.529 3.960 -0.002 0.000 0.309 536 G HA3 0.570 4.529 3.960 -0.002 0.000 0.309 536 G C -1.903 172.983 174.900 -0.023 0.000 1.299 536 G CA -0.665 44.336 45.100 -0.164 0.000 0.798 536 G HN 0.073 nan 8.290 nan 0.000 0.490 537 F N -2.649 117.296 119.950 -0.009 0.000 2.858 537 F HA 0.883 5.409 4.527 -0.002 0.000 0.319 537 F C -0.423 175.383 175.800 0.011 0.000 1.166 537 F CA -1.357 56.533 58.000 -0.183 0.000 0.899 537 F CB 1.076 39.674 39.000 -0.670 0.000 1.332 537 F HN 1.125 nan 8.300 nan 0.000 0.461 538 A N 1.555 124.469 122.820 0.157 0.000 2.380 538 A HA 0.924 5.243 4.320 -0.002 0.000 0.315 538 A C -1.241 176.461 177.584 0.197 0.000 1.101 538 A CA -0.912 51.287 52.037 0.270 0.000 0.771 538 A CB 1.621 20.723 19.000 0.169 0.000 1.287 538 A HN 0.799 nan 8.150 nan 0.000 0.436 539 M N 1.430 121.253 119.600 0.372 0.000 2.395 539 M HA 0.487 4.966 4.480 -0.002 0.000 0.307 539 M C 0.489 177.025 176.300 0.393 0.000 1.091 539 M CA -0.444 55.068 55.300 0.354 0.000 0.919 539 M CB 2.370 35.234 32.600 0.439 0.000 1.662 539 M HN 0.868 nan 8.290 nan 0.000 0.440 540 G N 1.420 110.439 108.800 0.365 0.000 2.537 540 G HA2 0.569 4.528 3.960 -0.002 0.000 0.273 540 G HA3 0.569 4.528 3.960 -0.002 0.000 0.273 540 G C -1.578 173.585 174.900 0.438 0.000 1.189 540 G CA -0.085 45.231 45.100 0.360 0.000 0.881 540 G HN 0.784 nan 8.290 nan 0.000 0.535 541 Y N -0.850 119.543 120.300 0.155 0.000 2.609 541 Y HA 0.705 5.254 4.550 -0.002 0.000 0.336 541 Y C -0.782 175.212 175.900 0.156 0.000 1.129 541 Y CA -1.520 56.674 58.100 0.156 0.000 1.040 541 Y CB 0.957 39.471 38.460 0.091 0.000 1.310 541 Y HN 1.018 nan 8.280 nan 0.000 0.460 542 H N -0.065 118.981 119.070 -0.040 0.000 2.949 542 H HA 0.689 5.244 4.556 -0.002 0.000 0.356 542 H C -1.631 173.759 175.328 0.103 0.000 1.212 542 H CA -1.091 54.843 56.048 -0.190 0.000 1.136 542 H CB 2.232 31.923 29.762 -0.118 0.000 1.869 542 H HN 0.701 nan 8.280 nan 0.000 0.556 543 Q N 1.169 120.991 119.800 0.036 0.000 2.303 543 Q HA 0.375 4.714 4.340 -0.002 0.000 0.267 543 Q C -0.764 175.315 176.000 0.132 0.000 1.011 543 Q CA -0.289 55.543 55.803 0.049 0.000 0.740 543 Q CB 1.685 30.517 28.738 0.156 0.000 1.250 543 Q HN 1.131 nan 8.270 nan 0.000 0.458 544 G N 3.153 112.038 108.800 0.140 0.000 3.979 544 G HA2 0.090 4.049 3.960 -0.002 0.000 0.287 544 G HA3 0.090 4.049 3.960 -0.002 0.000 0.287 544 G C 0.240 175.200 174.900 0.099 0.000 1.011 544 G CA -0.121 45.085 45.100 0.176 0.000 0.818 544 G HN 0.526 nan 8.290 nan 0.000 0.470 545 D N 0.222 120.660 120.400 0.063 0.000 2.201 545 D HA 0.059 4.698 4.640 -0.002 0.000 0.209 545 D C 1.449 177.770 176.300 0.036 0.000 0.961 545 D CA 1.131 55.155 54.000 0.040 0.000 0.861 545 D CB 0.830 41.643 40.800 0.021 0.000 0.997 545 D HN 0.354 nan 8.370 nan 0.000 0.486 546 V N -2.221 117.716 119.914 0.039 0.000 3.074 546 V HA 0.826 4.945 4.120 -0.002 0.000 0.314 546 V C -0.782 175.335 176.094 0.038 0.000 1.117 546 V CA -1.245 61.075 62.300 0.033 0.000 1.014 546 V CB 1.721 33.561 31.823 0.028 0.000 1.057 546 V HN 0.037 nan 8.190 nan 0.000 0.438 547 A N 2.842 125.681 122.820 0.031 0.000 2.354 547 A HA 0.846 5.165 4.320 -0.002 0.000 0.269 547 A C -1.788 175.816 177.584 0.032 0.000 1.109 547 A CA -1.095 50.959 52.037 0.029 0.000 0.800 547 A CB -0.420 18.593 19.000 0.021 0.000 1.045 547 A HN 0.960 nan 8.150 nan 0.000 0.489 548 P HA 0.379 nan 4.420 nan 0.000 0.284 548 P C -0.379 176.947 177.300 0.044 0.000 1.258 548 P CA -0.799 62.321 63.100 0.033 0.000 0.824 548 P CB 0.682 32.400 31.700 0.029 0.000 1.038 549 R N 1.214 121.738 120.500 0.039 0.000 2.640 549 R HA 0.085 4.424 4.340 -0.002 0.000 0.270 549 R C -0.020 176.303 176.300 0.038 0.000 1.024 549 R CA 0.545 56.674 56.100 0.048 0.000 1.085 549 R CB 0.238 30.559 30.300 0.036 0.000 0.963 549 R HN 0.486 nan 8.270 nan 0.000 0.426 550 E N 1.974 122.200 120.200 0.042 0.000 2.256 550 E HA 0.429 4.778 4.350 -0.002 0.000 0.267 550 E C -1.424 175.083 176.600 -0.155 0.000 0.892 550 E CA -0.989 55.406 56.400 -0.009 0.000 0.775 550 E CB 2.561 32.326 29.700 0.108 0.000 1.207 550 E HN 0.218 nan 8.360 nan 0.000 0.420 551 V N 1.403 121.150 119.914 -0.280 0.000 2.686 551 V HA 0.791 4.910 4.120 -0.002 0.000 0.306 551 V C 0.146 175.921 176.094 -0.533 0.000 1.065 551 V CA -0.394 61.643 62.300 -0.437 0.000 0.894 551 V CB 1.640 33.318 31.823 -0.242 0.000 1.004 551 V HN 0.896 nan 8.190 nan 0.000 0.424 552 G N 3.508 111.852 108.800 -0.760 0.000 2.529 552 G HA2 0.719 4.678 3.960 -0.002 0.000 0.238 552 G HA3 0.719 4.678 3.960 -0.002 0.000 0.238 552 G C -1.858 173.013 174.900 -0.048 0.000 1.207 552 G CA -0.038 44.883 45.100 -0.299 0.000 0.928 552 G HN 1.149 nan 8.290 nan 0.000 0.495 553 L N -2.790 118.542 121.223 0.182 0.000 2.415 553 L HA 0.926 5.265 4.340 -0.002 0.000 0.256 553 L C -1.569 175.311 176.870 0.016 0.000 1.010 553 L CA -1.141 53.823 54.840 0.206 0.000 0.826 553 L CB 1.662 43.882 42.059 0.268 0.000 1.405 553 L HN 0.350 nan 8.230 nan 0.000 0.410 554 F N 1.486 121.615 119.950 0.297 0.000 2.411 554 F HA 0.508 5.034 4.527 -0.002 0.000 0.352 554 F C -0.593 175.318 175.800 0.185 0.000 1.123 554 F CA -0.312 57.761 58.000 0.122 0.000 1.044 554 F CB 1.444 40.373 39.000 -0.119 0.000 1.135 554 F HN 0.479 nan 8.300 nan 0.000 0.461 555 Y N 4.466 124.834 120.300 0.114 0.000 2.335 555 Y HA 0.487 5.036 4.550 -0.002 0.000 0.339 555 Y C -1.460 174.356 175.900 -0.140 0.000 0.987 555 Y CA -2.227 55.886 58.100 0.021 0.000 1.140 555 Y CB 0.437 38.885 38.460 -0.020 0.000 1.173 555 Y HN 0.442 nan 8.280 nan 0.000 0.486 556 F N 9.321 128.997 119.950 -0.457 0.000 2.303 556 F HA 0.352 4.878 4.527 -0.002 0.000 0.368 556 F C -1.691 173.522 175.800 -0.978 0.000 1.105 556 F CA -1.962 55.635 58.000 -0.672 0.000 1.153 556 F CB 1.149 39.654 39.000 -0.824 0.000 1.362 556 F HN 0.476 nan 8.300 nan 0.000 0.511 557 P HA -0.137 nan 4.420 nan 0.000 0.217 557 P C 0.036 177.161 177.300 -0.290 0.000 1.150 557 P CA 1.345 63.969 63.100 -0.792 0.000 0.832 557 P CB 0.332 31.692 31.700 -0.567 0.000 0.787 558 D N -1.551 118.731 120.400 -0.196 0.000 2.405 558 D HA 0.338 4.977 4.640 -0.002 0.000 0.264 558 D C 0.556 176.866 176.300 0.017 0.000 1.240 558 D CA -0.575 53.408 54.000 -0.028 0.000 0.893 558 D CB 0.297 41.102 40.800 0.008 0.000 1.198 558 D HN -0.144 nan 8.370 nan 0.000 0.514 559 A N 2.163 124.959 122.820 -0.039 0.000 2.167 559 A HA 0.027 4.346 4.320 -0.002 0.000 0.214 559 A C 1.368 179.003 177.584 0.086 0.000 1.151 559 A CA 0.599 52.580 52.037 -0.093 0.000 0.735 559 A CB -0.383 18.298 19.000 -0.532 0.000 0.802 559 A HN 0.465 nan 8.150 nan 0.000 0.467 560 F N -0.117 119.965 119.950 0.219 0.000 2.147 560 F HA 0.015 4.541 4.527 -0.002 0.000 0.291 560 F C 2.172 178.073 175.800 0.168 0.000 1.093 560 F CA 1.748 59.950 58.000 0.336 0.000 1.263 560 F CB -0.377 38.819 39.000 0.327 0.000 1.036 560 F HN 0.217 nan 8.300 nan 0.000 0.481 561 N N -1.240 117.627 118.700 0.278 0.000 2.333 561 N HA -0.020 4.719 4.740 -0.002 0.000 0.178 561 N C -0.238 175.312 175.510 0.066 0.000 1.018 561 N CA 0.963 54.093 53.050 0.134 0.000 0.882 561 N CB 0.126 38.676 38.487 0.106 0.000 0.984 561 N HN -0.049 nan 8.380 nan 0.000 0.434 562 S N 0.577 116.320 115.700 0.071 0.000 2.204 562 S HA 0.201 4.670 4.470 -0.002 0.000 0.147 562 S C -2.244 172.410 174.600 0.089 0.000 1.711 562 S CA -0.904 57.323 58.200 0.045 0.000 1.274 562 S CB 1.438 64.643 63.200 0.008 0.000 1.257 562 S HN 0.147 nan 8.310 nan 0.000 0.404 563 P HA -0.064 nan 4.420 nan 0.000 0.226 563 P C 1.241 178.725 177.300 0.307 0.000 1.153 563 P CA 0.827 64.043 63.100 0.194 0.000 0.777 563 P CB 0.008 31.805 31.700 0.162 0.000 0.794 564 S N -2.438 113.385 115.700 0.205 0.000 2.548 564 S HA 0.093 4.562 4.470 -0.002 0.000 0.215 564 S C 0.735 175.407 174.600 0.120 0.000 0.976 564 S CA -0.367 57.961 58.200 0.213 0.000 0.908 564 S CB -0.886 62.377 63.200 0.106 0.000 0.781 564 S HN -0.030 nan 8.310 nan 0.000 0.519 565 N N 2.246 120.976 118.700 0.050 0.000 2.426 565 N HA 0.540 5.279 4.740 -0.002 0.000 0.257 565 N C -0.915 174.429 175.510 -0.277 0.000 1.002 565 N CA -0.518 52.433 53.050 -0.164 0.000 0.942 565 N CB 0.742 39.150 38.487 -0.132 0.000 1.112 565 N HN 0.621 nan 8.380 nan 0.000 0.499 566 Y N -0.868 119.140 120.300 -0.486 0.000 2.625 566 Y HA 0.764 5.313 4.550 -0.002 0.000 0.338 566 Y C -1.288 174.393 175.900 -0.364 0.000 1.123 566 Y CA -1.451 56.200 58.100 -0.748 0.000 1.046 566 Y CB 0.910 38.444 38.460 -1.542 0.000 1.299 566 Y HN 0.120 nan 8.280 nan 0.000 0.464 567 V N 2.586 122.476 119.914 -0.040 0.000 2.656 567 V HA 0.580 4.699 4.120 -0.002 0.000 0.307 567 V C -0.933 175.326 176.094 0.275 0.000 1.051 567 V CA -0.955 61.387 62.300 0.069 0.000 0.893 567 V CB 1.716 33.556 31.823 0.028 0.000 0.999 567 V HN 1.002 nan 8.190 nan 0.000 0.426 568 R N 6.273 126.943 120.500 0.284 0.000 2.265 568 R HA 0.551 4.890 4.340 -0.002 0.000 0.314 568 R C -0.804 175.587 176.300 0.150 0.000 1.053 568 R CA -0.533 55.693 56.100 0.210 0.000 0.931 568 R CB 0.611 31.051 30.300 0.232 0.000 1.024 568 R HN 0.737 nan 8.270 nan 0.000 0.457 569 R N 4.237 124.831 120.500 0.157 0.000 2.513 569 R HA 0.219 4.558 4.340 -0.002 0.000 0.301 569 R C -0.882 175.574 176.300 0.260 0.000 0.968 569 R CA -0.822 55.406 56.100 0.214 0.000 0.872 569 R CB 2.319 32.750 30.300 0.219 0.000 1.177 569 R HN 0.702 nan 8.270 nan 0.000 0.444 570 Q N 2.109 122.051 119.800 0.236 0.000 2.266 570 Q HA 0.468 4.807 4.340 -0.002 0.000 0.261 570 Q C 0.666 176.713 176.000 0.078 0.000 0.985 570 Q CA -0.813 55.059 55.803 0.116 0.000 0.873 570 Q CB 2.279 31.066 28.738 0.080 0.000 1.306 570 Q HN 0.583 nan 8.270 nan 0.000 0.447 571 I N -1.572 118.812 120.570 -0.309 0.000 3.194 571 I HA 0.301 4.470 4.170 -0.002 0.000 0.283 571 I C -2.212 173.714 176.117 -0.319 0.000 1.199 571 I CA -2.198 58.619 61.300 -0.804 0.000 1.328 571 I CB -0.037 37.260 38.000 -1.171 0.000 1.404 571 I HN 0.324 nan 8.210 nan 0.000 0.618 572 P HA 0.008 nan 4.420 nan 0.000 0.266 572 P C 0.524 177.874 177.300 0.083 0.000 1.195 572 P CA 0.077 63.223 63.100 0.077 0.000 0.768 572 P CB 0.773 32.629 31.700 0.261 0.000 0.838 573 S N 2.612 118.346 115.700 0.056 0.000 2.400 573 S HA -0.253 4.216 4.470 -0.002 0.000 0.232 573 S C 1.522 176.109 174.600 -0.021 0.000 1.025 573 S CA 1.430 59.640 58.200 0.017 0.000 0.993 573 S CB -1.012 62.198 63.200 0.017 0.000 0.808 573 S HN 0.689 nan 8.310 nan 0.000 0.478 574 E N 0.141 120.299 120.200 -0.070 0.000 2.333 574 E HA -0.173 4.176 4.350 -0.002 0.000 0.198 574 E C 1.043 177.438 176.600 -0.343 0.000 1.007 574 E CA 0.959 57.218 56.400 -0.236 0.000 0.845 574 E CB -0.509 28.978 29.700 -0.355 0.000 0.766 574 E HN 0.761 nan 8.360 nan 0.000 0.507 575 Y N 0.850 121.144 120.300 -0.010 0.000 2.457 575 Y HA 0.236 4.785 4.550 -0.002 0.000 0.263 575 Y C 1.591 177.463 175.900 -0.047 0.000 1.164 575 Y CA 0.052 58.154 58.100 0.002 0.000 1.274 575 Y CB 0.521 39.033 38.460 0.087 0.000 1.097 575 Y HN 0.052 nan 8.280 nan 0.000 0.523 576 E N 0.394 120.617 120.200 0.037 0.000 2.158 576 E HA -0.018 4.331 4.350 -0.002 0.000 0.191 576 E C -1.767 174.827 176.600 -0.010 0.000 0.982 576 E CA -0.192 56.201 56.400 -0.011 0.000 0.823 576 E CB -0.901 28.782 29.700 -0.029 0.000 0.766 576 E HN 0.251 nan 8.360 nan 0.000 0.468 577 P HA -0.034 nan 4.420 nan 0.000 0.268 577 P C -0.783 176.507 177.300 -0.017 0.000 1.205 577 P CA 0.555 63.644 63.100 -0.018 0.000 0.771 577 P CB 0.337 32.017 31.700 -0.032 0.000 0.858 578 D N -1.206 119.184 120.400 -0.016 0.000 2.811 578 D HA -0.195 4.444 4.640 -0.002 0.000 0.231 578 D C -0.089 176.194 176.300 -0.029 0.000 1.157 578 D CA 1.329 55.315 54.000 -0.023 0.000 0.716 578 D CB -1.339 39.440 40.800 -0.036 0.000 1.077 578 D HN 0.505 nan 8.370 nan 0.000 0.428 579 A N -0.089 122.709 122.820 -0.036 0.000 2.413 579 A HA 0.811 5.130 4.320 -0.002 0.000 0.307 579 A C 0.196 177.692 177.584 -0.148 0.000 1.087 579 A CA 0.310 52.310 52.037 -0.062 0.000 0.750 579 A CB 2.347 21.332 19.000 -0.026 0.000 1.296 579 A HN 0.445 nan 8.150 nan 0.000 0.423 580 S N 0.259 115.815 115.700 -0.241 0.000 2.672 580 S HA 0.580 5.049 4.470 -0.002 0.000 0.271 580 S C -0.775 173.598 174.600 -0.378 0.000 1.171 580 S CA -0.245 57.611 58.200 -0.573 0.000 0.817 580 S CB 0.311 62.934 63.200 -0.962 0.000 1.150 580 S HN 1.059 nan 8.310 nan 0.000 0.478 581 E N 0.920 120.872 120.200 -0.412 0.000 2.202 581 E HA -0.129 4.220 4.350 -0.002 0.000 0.169 581 E C -2.396 174.083 176.600 -0.202 0.000 1.536 581 E CA 0.622 56.766 56.400 -0.427 0.000 0.664 581 E CB -1.441 27.864 29.700 -0.660 0.000 1.064 581 E HN 0.535 nan 8.360 nan 0.000 0.327 582 P HA 0.041 nan 4.420 nan 0.000 0.276 582 P C -0.089 177.507 177.300 0.494 0.000 1.230 582 P CA -0.307 62.935 63.100 0.237 0.000 0.776 582 P CB 0.891 32.679 31.700 0.148 0.000 0.888 583 C N 5.050 124.651 119.300 0.501 0.000 2.369 583 C HA 0.615 5.074 4.460 -0.002 0.000 0.358 583 C C 0.904 176.254 174.990 0.600 0.000 1.274 583 C CA -0.164 59.185 59.018 0.551 0.000 1.935 583 C CB -1.050 27.058 27.740 0.613 0.000 2.431 583 C HN 0.497 nan 8.230 nan 0.000 0.545 584 I N 0.940 121.787 120.570 0.462 0.000 2.582 584 I HA 0.860 5.029 4.170 -0.002 0.000 0.292 584 I C -0.821 175.497 176.117 0.336 0.000 1.066 584 I CA -0.652 60.940 61.300 0.487 0.000 1.053 584 I CB 1.702 39.941 38.000 0.399 0.000 1.241 584 I HN 0.341 nan 8.210 nan 0.000 0.421 585 K N 3.510 124.175 120.400 0.442 0.000 2.508 585 K HA 0.561 4.880 4.320 -0.002 0.000 0.260 585 K C -2.088 174.798 176.600 0.477 0.000 0.949 585 K CA -0.692 55.769 56.287 0.289 0.000 0.834 585 K CB 2.256 34.818 32.500 0.104 0.000 1.365 585 K HN 0.610 nan 8.250 nan 0.000 0.437 586 Y N 1.976 122.307 120.300 0.051 0.000 2.350 586 Y HA 0.537 5.086 4.550 -0.002 0.000 0.338 586 Y C -1.773 174.073 175.900 -0.089 0.000 0.961 586 Y CA -0.560 57.588 58.100 0.080 0.000 1.100 586 Y CB 1.010 39.480 38.460 0.017 0.000 1.179 586 Y HN 0.567 nan 8.280 nan 0.000 0.454 587 Y N 3.860 124.108 120.300 -0.086 0.000 2.386 587 Y HA 0.261 4.810 4.550 -0.002 0.000 0.334 587 Y C -0.297 175.480 175.900 -0.205 0.000 1.002 587 Y CA -1.584 56.494 58.100 -0.037 0.000 1.068 587 Y CB 1.719 40.292 38.460 0.189 0.000 1.203 587 Y HN 0.725 nan 8.280 nan 0.000 0.443 588 D N 2.671 123.038 120.400 -0.056 0.000 2.697 588 D HA -0.140 4.499 4.640 -0.002 0.000 0.235 588 D C 1.117 177.311 176.300 -0.177 0.000 1.167 588 D CA 1.949 55.915 54.000 -0.057 0.000 0.656 588 D CB -0.788 40.042 40.800 0.049 0.000 1.025 588 D HN 1.131 nan 8.370 nan 0.000 0.419 589 G N -1.764 106.785 108.800 -0.418 0.000 2.168 589 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.263 589 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.263 589 G C 0.302 175.005 174.900 -0.328 0.000 0.977 589 G CA 0.215 45.129 45.100 -0.310 0.000 0.659 589 G HN 0.745 nan 8.290 nan 0.000 0.533 590 V N 0.683 120.305 119.914 -0.488 0.000 2.487 590 V HA 0.682 4.801 4.120 -0.002 0.000 0.298 590 V C 0.046 175.949 176.094 -0.318 0.000 1.028 590 V CA -0.959 61.118 62.300 -0.371 0.000 0.860 590 V CB 1.783 33.366 31.823 -0.401 0.000 0.991 590 V HN 0.376 nan 8.190 nan 0.000 0.427 591 L N 6.120 127.273 121.223 -0.117 0.000 2.264 591 L HA 0.578 4.917 4.340 -0.002 0.000 0.289 591 L C -1.045 175.853 176.870 0.047 0.000 1.044 591 L CA 0.213 55.144 54.840 0.151 0.000 0.807 591 L CB 0.543 42.703 42.059 0.168 0.000 1.192 591 L HN 0.540 nan 8.230 nan 0.000 0.425 592 Y N 5.339 125.956 120.300 0.527 0.000 2.387 592 Y HA 0.674 5.223 4.550 -0.002 0.000 0.336 592 Y C -0.389 175.899 175.900 0.647 0.000 1.067 592 Y CA -0.582 57.864 58.100 0.576 0.000 1.114 592 Y CB 1.781 40.611 38.460 0.617 0.000 1.208 592 Y HN 0.514 nan 8.280 nan 0.000 0.458 593 L N 4.706 126.319 121.223 0.650 0.000 2.470 593 L HA 0.663 5.002 4.340 -0.002 0.000 0.268 593 L C -1.791 175.293 176.870 0.356 0.000 0.964 593 L CA -0.369 54.770 54.840 0.498 0.000 0.839 593 L CB 1.302 43.547 42.059 0.311 0.000 1.276 593 L HN 0.617 nan 8.230 nan 0.000 0.403 594 I N 3.732 124.506 120.570 0.341 0.000 2.447 594 I HA 0.358 4.527 4.170 -0.002 0.000 0.287 594 I C 0.212 176.469 176.117 0.233 0.000 1.023 594 I CA -0.540 60.910 61.300 0.250 0.000 1.083 594 I CB 2.280 40.385 38.000 0.174 0.000 1.245 594 I HN 0.599 nan 8.210 nan 0.000 0.434 595 T N 2.885 117.545 114.554 0.175 0.000 2.874 595 T HA 0.377 4.726 4.350 -0.002 0.000 0.281 595 T C 0.027 174.755 174.700 0.047 0.000 0.994 595 T CA -0.787 61.369 62.100 0.094 0.000 1.015 595 T CB 1.982 70.891 68.868 0.068 0.000 1.028 595 T HN 0.556 nan 8.240 nan 0.000 0.523 596 R N 0.437 120.930 120.500 -0.012 0.000 2.312 596 R HA 0.495 4.834 4.340 -0.002 0.000 0.311 596 R C 0.292 176.556 176.300 -0.059 0.000 1.004 596 R CA -0.483 55.587 56.100 -0.049 0.000 0.902 596 R CB 0.755 31.015 30.300 -0.066 0.000 1.073 596 R HN 0.950 nan 8.270 nan 0.000 0.457 597 G N 0.868 109.629 108.800 -0.066 0.000 2.395 597 G HA2 0.145 4.104 3.960 -0.002 0.000 0.283 597 G HA3 0.145 4.104 3.960 -0.002 0.000 0.283 597 G C 0.895 175.788 174.900 -0.012 0.000 1.178 597 G CA -0.369 44.702 45.100 -0.049 0.000 0.837 597 G HN 0.744 nan 8.290 nan 0.000 0.518 598 T N -1.625 112.925 114.554 -0.007 0.000 3.044 598 T HA 0.209 4.558 4.350 -0.002 0.000 0.250 598 T C 0.833 175.573 174.700 0.066 0.000 1.081 598 T CA -0.043 62.095 62.100 0.064 0.000 1.040 598 T CB -0.025 68.860 68.868 0.028 0.000 0.962 598 T HN 0.721 nan 8.240 nan 0.000 0.506 599 R N -0.759 119.681 120.500 -0.100 0.000 2.643 599 R HA 0.621 4.960 4.340 -0.002 0.000 0.269 599 R C 0.809 176.738 176.300 -0.618 0.000 1.037 599 R CA -0.791 55.147 56.100 -0.271 0.000 0.894 599 R CB 0.845 31.064 30.300 -0.134 0.000 1.238 599 R HN -0.032 nan 8.270 nan 0.000 0.459 600 G N 0.420 108.571 108.800 -1.082 0.000 2.650 600 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.214 600 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.214 600 G C 0.425 175.010 174.900 -0.526 0.000 1.136 600 G CA 0.689 44.976 45.100 -1.355 0.000 0.789 600 G HN 0.800 nan 8.290 nan 0.000 0.536 601 D N -0.732 119.465 120.400 -0.338 0.000 2.402 601 D HA 0.126 4.765 4.640 -0.002 0.000 0.216 601 D C 0.798 177.013 176.300 -0.142 0.000 1.128 601 D CA -0.280 53.608 54.000 -0.187 0.000 0.833 601 D CB 0.403 41.124 40.800 -0.131 0.000 0.971 601 D HN 0.192 nan 8.370 nan 0.000 0.503 602 R N -0.226 120.176 120.500 -0.163 0.000 2.808 602 R HA 0.396 4.735 4.340 -0.002 0.000 0.272 602 R C -0.835 175.401 176.300 -0.107 0.000 0.995 602 R CA -1.264 54.769 56.100 -0.112 0.000 0.917 602 R CB 1.438 31.683 30.300 -0.092 0.000 1.217 602 R HN -0.116 nan 8.270 nan 0.000 0.471 603 L N 1.818 122.996 121.223 -0.075 0.000 2.615 603 L HA 0.018 4.357 4.340 -0.002 0.000 0.284 603 L C 1.059 177.907 176.870 -0.038 0.000 1.237 603 L CA 1.148 55.957 54.840 -0.051 0.000 0.905 603 L CB -0.017 42.014 42.059 -0.046 0.000 1.149 603 L HN 0.905 nan 8.230 nan 0.000 0.499 604 G N 1.835 110.623 108.800 -0.020 0.000 3.099 604 G HA2 0.332 4.291 3.960 -0.002 0.000 0.151 604 G HA3 0.332 4.291 3.960 -0.002 0.000 0.151 604 G C -0.380 174.545 174.900 0.041 0.000 1.265 604 G CA -0.451 44.633 45.100 -0.026 0.000 0.981 604 G HN 0.532 nan 8.290 nan 0.000 0.601 605 S N 0.197 115.901 115.700 0.006 0.000 2.642 605 S HA 0.342 4.811 4.470 -0.002 0.000 0.308 605 S C 0.470 175.256 174.600 0.311 0.000 1.255 605 S CA 0.497 58.742 58.200 0.074 0.000 1.057 605 S CB 0.125 63.237 63.200 -0.147 0.000 0.785 605 S HN 0.996 nan 8.310 nan 0.000 0.500 606 S N 3.357 119.216 115.700 0.264 0.000 2.599 606 S HA 0.753 5.222 4.470 -0.002 0.000 0.287 606 S C -0.908 173.662 174.600 -0.050 0.000 1.105 606 S CA -1.021 57.237 58.200 0.098 0.000 0.899 606 S CB 1.325 64.544 63.200 0.032 0.000 1.100 606 S HN 0.610 nan 8.310 nan 0.000 0.482 607 L N 2.103 123.041 121.223 -0.474 0.000 2.346 607 L HA 0.661 5.000 4.340 -0.002 0.000 0.274 607 L C -1.219 175.252 176.870 -0.666 0.000 1.007 607 L CA -0.527 54.086 54.840 -0.379 0.000 0.818 607 L CB 1.559 43.309 42.059 -0.515 0.000 1.284 607 L HN 0.906 nan 8.230 nan 0.000 0.424 608 H N 3.346 122.509 119.070 0.156 0.000 2.961 608 H HA 0.508 5.063 4.556 -0.002 0.000 0.371 608 H C -1.213 174.454 175.328 0.566 0.000 1.190 608 H CA -0.938 55.299 56.048 0.315 0.000 1.138 608 H CB 2.330 32.027 29.762 -0.108 0.000 1.816 608 H HN 0.556 nan 8.280 nan 0.000 0.551 609 R N 0.194 121.048 120.500 0.590 0.000 2.673 609 R HA 0.673 5.012 4.340 -0.002 0.000 0.281 609 R C -1.104 175.228 176.300 0.053 0.000 0.991 609 R CA -0.964 55.234 56.100 0.164 0.000 0.896 609 R CB 2.184 32.317 30.300 -0.278 0.000 1.201 609 R HN 0.438 nan 8.270 nan 0.000 0.457 610 S N 0.689 116.256 115.700 -0.222 0.000 2.541 610 S HA 0.427 4.896 4.470 -0.002 0.000 0.280 610 S C -0.240 174.163 174.600 -0.328 0.000 1.112 610 S CA -0.930 57.006 58.200 -0.440 0.000 0.925 610 S CB 1.457 64.052 63.200 -1.007 0.000 1.067 610 S HN 0.776 nan 8.310 nan 0.000 0.479 611 R N 1.394 121.731 120.500 -0.271 0.000 2.427 611 R HA 0.193 4.532 4.340 -0.002 0.000 0.262 611 R C -0.598 175.610 176.300 -0.154 0.000 0.943 611 R CA 0.305 56.296 56.100 -0.182 0.000 1.081 611 R CB 0.104 30.314 30.300 -0.151 0.000 1.166 611 R HN 0.677 nan 8.270 nan 0.000 0.534 612 D N -0.700 119.565 120.400 -0.224 0.000 2.819 612 D HA 0.103 4.742 4.640 -0.002 0.000 0.326 612 D C 0.003 176.143 176.300 -0.267 0.000 1.408 612 D CA -0.603 53.278 54.000 -0.198 0.000 0.811 612 D CB -0.384 40.313 40.800 -0.171 0.000 1.148 612 D HN 0.040 nan 8.370 nan 0.000 0.457 613 I N 0.458 120.843 120.570 -0.308 0.000 6.679 613 I HA -0.215 3.954 4.170 -0.002 0.000 0.126 613 I C 1.353 177.240 176.117 -0.383 0.000 1.811 613 I CA 0.804 61.869 61.300 -0.392 0.000 2.117 613 I CB -1.540 36.087 38.000 -0.622 0.000 3.492 613 I HN 0.548 nan 8.210 nan 0.000 0.193 614 G N -0.155 108.257 108.800 -0.647 0.000 2.175 614 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.244 614 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.244 614 G C 0.533 175.140 174.900 -0.488 0.000 0.982 614 G CA 0.403 45.028 45.100 -0.792 0.000 0.641 614 G HN 0.559 nan 8.290 nan 0.000 0.527 615 Q N -0.117 119.446 119.800 -0.395 0.000 2.137 615 Q HA 0.142 4.481 4.340 -0.002 0.000 0.198 615 Q C 1.400 177.286 176.000 -0.190 0.000 0.960 615 Q CA 1.559 57.249 55.803 -0.187 0.000 0.847 615 Q CB 0.161 28.824 28.738 -0.125 0.000 0.915 615 Q HN 0.774 nan 8.270 nan 0.000 0.448 616 T N -2.747 111.595 114.554 -0.353 0.000 2.906 616 T HA 0.570 4.919 4.350 -0.002 0.000 0.295 616 T C -1.388 173.081 174.700 -0.385 0.000 1.061 616 T CA -0.882 61.093 62.100 -0.208 0.000 1.000 616 T CB 1.315 70.123 68.868 -0.101 0.000 1.103 616 T HN 0.162 nan 8.240 nan 0.000 0.486 617 W N 0.008 121.315 121.300 0.012 0.000 3.031 617 W HA 0.673 5.332 4.660 -0.002 0.000 0.337 617 W C -0.297 176.237 176.519 0.024 0.000 1.187 617 W CA -0.806 56.553 57.345 0.024 0.000 1.166 617 W CB 1.722 31.228 29.460 0.076 0.000 1.437 617 W HN 0.964 nan 8.180 nan 0.000 0.551 618 E N 1.103 121.465 120.200 0.269 0.000 2.212 618 E HA 0.730 5.079 4.350 -0.002 0.000 0.268 618 E C -0.979 175.833 176.600 0.353 0.000 0.902 618 E CA -0.387 56.111 56.400 0.163 0.000 0.779 618 E CB 1.537 31.138 29.700 -0.165 0.000 1.172 618 E HN 0.348 nan 8.360 nan 0.000 0.409 619 S N 3.423 119.332 115.700 0.349 0.000 2.595 619 S HA 0.637 5.106 4.470 -0.002 0.000 0.281 619 S C -1.199 173.385 174.600 -0.027 0.000 1.117 619 S CA -0.894 57.312 58.200 0.011 0.000 0.873 619 S CB 1.422 64.384 63.200 -0.396 0.000 1.108 619 S HN 0.570 nan 8.310 nan 0.000 0.477 620 L N 0.752 121.680 121.223 -0.492 0.000 2.466 620 L HA 0.751 5.090 4.340 -0.002 0.000 0.258 620 L C -1.504 175.070 176.870 -0.492 0.000 0.973 620 L CA -0.825 53.713 54.840 -0.504 0.000 0.826 620 L CB 2.158 43.673 42.059 -0.908 0.000 1.372 620 L HN 0.704 nan 8.230 nan 0.000 0.409 621 R N 2.266 122.612 120.500 -0.258 0.000 2.338 621 R HA 0.553 4.892 4.340 -0.002 0.000 0.317 621 R C -1.209 174.960 176.300 -0.218 0.000 0.968 621 R CA -0.400 55.632 56.100 -0.113 0.000 0.849 621 R CB 1.008 31.339 30.300 0.052 0.000 1.128 621 R HN 0.570 nan 8.270 nan 0.000 0.448 622 F N 6.250 126.138 119.950 -0.103 0.000 2.529 622 F HA 0.174 4.700 4.527 -0.002 0.000 0.365 622 F C -1.254 174.512 175.800 -0.056 0.000 1.102 622 F CA -1.108 56.858 58.000 -0.056 0.000 1.271 622 F CB 0.354 39.386 39.000 0.054 0.000 1.120 622 F HN 0.444 nan 8.300 nan 0.000 0.579 623 P HA 0.005 nan 4.420 nan 0.000 0.272 623 P C -0.583 176.698 177.300 -0.031 0.000 1.230 623 P CA 0.109 63.134 63.100 -0.125 0.000 0.788 623 P CB 0.401 31.941 31.700 -0.266 0.000 0.949 624 H N -0.176 118.920 119.070 0.043 0.000 2.886 624 H HA -0.163 4.392 4.556 -0.002 0.000 0.294 624 H C -0.172 175.119 175.328 -0.062 0.000 1.246 624 H CA 0.789 56.837 56.048 0.000 0.000 1.142 624 H CB -2.671 27.109 29.762 0.030 0.000 1.358 624 H HN 0.731 nan 8.280 nan 0.000 0.406 625 N N -1.670 117.033 118.700 0.005 0.000 2.688 625 N HA -0.173 4.566 4.740 -0.002 0.000 0.258 625 N C -0.095 175.347 175.510 -0.113 0.000 1.016 625 N CA 0.351 53.358 53.050 -0.073 0.000 0.747 625 N CB -0.610 37.792 38.487 -0.142 0.000 0.895 625 N HN 0.138 nan 8.380 nan 0.000 0.543 626 V N 1.891 121.681 119.914 -0.206 0.000 2.557 626 V HA 0.021 4.140 4.120 -0.002 0.000 0.301 626 V C 0.901 176.757 176.094 -0.396 0.000 1.026 626 V CA 0.489 62.459 62.300 -0.549 0.000 1.137 626 V CB 0.090 31.512 31.823 -0.669 0.000 0.917 626 V HN 0.480 nan 8.190 nan 0.000 0.484 627 H N 2.597 121.251 119.070 -0.693 0.000 3.017 627 H HA 0.417 4.972 4.556 -0.002 0.000 0.346 627 H C 0.292 175.379 175.328 -0.402 0.000 1.286 627 H CA -0.450 55.296 56.048 -0.503 0.000 1.120 627 H CB 0.943 30.364 29.762 -0.569 0.000 1.860 627 H HN 0.749 nan 8.280 nan 0.000 0.542 628 H N -1.570 117.407 119.070 -0.154 0.000 3.641 628 H HA -0.171 4.384 4.556 -0.002 0.000 0.193 628 H C -0.205 175.064 175.328 -0.098 0.000 1.013 628 H CA 1.381 57.358 56.048 -0.119 0.000 1.212 628 H CB -0.796 28.881 29.762 -0.142 0.000 1.089 628 H HN 0.820 nan 8.280 nan 0.000 0.339 629 T N 1.032 115.554 114.554 -0.052 0.000 2.863 629 T HA 0.427 4.776 4.350 -0.002 0.000 0.285 629 T C 0.357 175.079 174.700 0.036 0.000 1.009 629 T CA -0.012 62.100 62.100 0.019 0.000 0.989 629 T CB 1.426 70.294 68.868 -0.000 0.000 1.004 629 T HN 0.324 nan 8.240 nan 0.000 0.455 630 T N 2.560 117.204 114.554 0.150 0.000 2.828 630 T HA 0.543 4.891 4.350 -0.002 0.000 0.290 630 T C 0.276 175.110 174.700 0.223 0.000 1.019 630 T CA -0.767 61.449 62.100 0.193 0.000 1.031 630 T CB 0.392 69.451 68.868 0.319 0.000 1.001 630 T HN 0.502 nan 8.240 nan 0.000 0.531 631 L N 2.206 123.580 121.223 0.253 0.000 2.679 631 L HA 0.335 4.674 4.340 -0.002 0.000 0.238 631 L C -2.245 174.904 176.870 0.465 0.000 1.330 631 L CA -2.123 52.888 54.840 0.285 0.000 0.935 631 L CB 0.881 43.032 42.059 0.153 0.000 1.243 631 L HN 0.487 nan 8.230 nan 0.000 0.484 632 P HA 0.155 nan 4.420 nan 0.000 0.269 632 P C -0.840 176.809 177.300 0.581 0.000 1.209 632 P CA 0.263 63.666 63.100 0.505 0.000 0.776 632 P CB 0.740 32.702 31.700 0.437 0.000 0.876 633 F N -1.188 118.970 119.950 0.347 0.000 2.686 633 F HA 0.815 5.341 4.527 -0.002 0.000 0.311 633 F C -1.776 174.226 175.800 0.337 0.000 1.128 633 F CA -1.396 56.801 58.000 0.327 0.000 0.946 633 F CB 0.900 40.053 39.000 0.255 0.000 1.336 633 F HN 0.481 nan 8.300 nan 0.000 0.457 634 A N 1.601 124.635 122.820 0.357 0.000 2.479 634 A HA 0.731 5.050 4.320 -0.002 0.000 0.296 634 A C -1.584 176.106 177.584 0.177 0.000 1.121 634 A CA -1.108 51.095 52.037 0.277 0.000 0.743 634 A CB 1.937 21.110 19.000 0.288 0.000 1.323 634 A HN 0.905 nan 8.150 nan 0.000 0.415 635 K N 1.149 121.401 120.400 -0.246 0.000 2.240 635 K HA 0.591 4.910 4.320 -0.002 0.000 0.271 635 K C -1.661 174.748 176.600 -0.319 0.000 1.018 635 K CA -0.254 55.733 56.287 -0.501 0.000 0.874 635 K CB 1.033 32.864 32.500 -1.114 0.000 1.098 635 K HN 0.396 nan 8.250 nan 0.000 0.458 636 V N 4.862 124.694 119.914 -0.136 0.000 2.407 636 V HA 0.423 4.542 4.120 -0.002 0.000 0.291 636 V C 0.786 176.843 176.094 -0.062 0.000 1.018 636 V CA 0.162 62.429 62.300 -0.055 0.000 0.842 636 V CB 0.610 32.438 31.823 0.009 0.000 0.996 636 V HN 1.185 nan 8.190 nan 0.000 0.426 637 G N 5.121 113.891 108.800 -0.050 0.000 2.591 637 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.298 637 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.298 637 G C 0.341 175.205 174.900 -0.061 0.000 1.195 637 G CA 0.716 45.791 45.100 -0.041 0.000 0.989 637 G HN 0.632 nan 8.290 nan 0.000 0.551 638 D N 1.885 122.256 120.400 -0.049 0.000 2.363 638 D HA 0.288 4.927 4.640 -0.002 0.000 0.214 638 D C -0.044 176.217 176.300 -0.064 0.000 1.093 638 D CA 0.163 54.135 54.000 -0.046 0.000 0.837 638 D CB 0.108 40.897 40.800 -0.019 0.000 0.948 638 D HN 0.297 nan 8.370 nan 0.000 0.507 639 D N 0.338 120.691 120.400 -0.078 0.000 2.177 639 D HA 0.200 4.839 4.640 -0.002 0.000 0.247 639 D C -0.046 176.190 176.300 -0.105 0.000 1.063 639 D CA -0.519 53.431 54.000 -0.084 0.000 0.867 639 D CB 1.714 42.475 40.800 -0.064 0.000 1.168 639 D HN -0.137 nan 8.370 nan 0.000 0.445 640 L N 2.494 123.649 121.223 -0.114 0.000 2.290 640 L HA 0.355 4.694 4.340 -0.002 0.000 0.284 640 L C 0.001 176.873 176.870 0.002 0.000 1.078 640 L CA -0.118 54.684 54.840 -0.064 0.000 0.815 640 L CB 0.557 42.521 42.059 -0.159 0.000 1.162 640 L HN 0.281 nan 8.230 nan 0.000 0.435 641 I N 5.691 126.334 120.570 0.121 0.000 2.354 641 I HA 0.399 4.568 4.170 -0.002 0.000 0.286 641 I C 0.100 176.359 176.117 0.237 0.000 1.007 641 I CA -0.350 61.028 61.300 0.130 0.000 1.167 641 I CB 0.898 39.005 38.000 0.178 0.000 1.320 641 I HN 0.582 nan 8.210 nan 0.000 0.458 642 M N 4.273 123.929 119.600 0.094 0.000 2.602 642 M HA 0.665 5.144 4.480 -0.002 0.000 0.312 642 M C -1.854 174.435 176.300 -0.017 0.000 1.181 642 M CA -0.457 54.974 55.300 0.218 0.000 0.910 642 M CB 2.491 35.234 32.600 0.238 0.000 1.723 642 M HN 0.194 nan 8.290 nan 0.000 0.459 643 F N 0.153 120.123 119.950 0.034 0.000 2.532 643 F HA 0.885 5.410 4.527 -0.002 0.000 0.321 643 F C 0.393 176.062 175.800 -0.218 0.000 1.089 643 F CA -0.330 57.483 58.000 -0.311 0.000 0.926 643 F CB 2.589 40.831 39.000 -1.264 0.000 1.168 643 F HN 0.863 nan 8.300 nan 0.000 0.459 644 G N 0.220 109.058 108.800 0.065 0.000 2.690 644 G HA2 0.619 4.578 3.960 -0.002 0.000 0.291 644 G HA3 0.619 4.578 3.960 -0.002 0.000 0.291 644 G C -1.835 173.244 174.900 0.298 0.000 1.403 644 G CA -0.887 44.357 45.100 0.241 0.000 0.864 644 G HN 0.537 nan 8.290 nan 0.000 0.480 645 S N 0.095 116.043 115.700 0.412 0.000 2.619 645 S HA 0.400 4.869 4.470 -0.002 0.000 0.280 645 S C -0.230 174.608 174.600 0.396 0.000 1.150 645 S CA -0.865 57.545 58.200 0.350 0.000 0.978 645 S CB 1.667 65.063 63.200 0.326 0.000 1.041 645 S HN 0.904 nan 8.310 nan 0.000 0.485 646 E N 2.605 123.069 120.200 0.441 0.000 2.404 646 E HA 0.219 4.568 4.350 -0.002 0.000 0.261 646 E C 0.253 176.948 176.600 0.158 0.000 1.074 646 E CA -0.614 55.972 56.400 0.311 0.000 0.917 646 E CB 0.578 30.490 29.700 0.354 0.000 0.965 646 E HN 0.307 nan 8.360 nan 0.000 0.433 647 R N 0.807 121.350 120.500 0.071 0.000 2.210 647 R HA 0.246 4.585 4.340 -0.002 0.000 0.203 647 R C 0.152 176.363 176.300 -0.148 0.000 1.010 647 R CA 0.795 56.893 56.100 -0.004 0.000 1.008 647 R CB -0.076 30.197 30.300 -0.044 0.000 0.923 647 R HN 0.618 nan 8.270 nan 0.000 0.469 648 A N 0.455 123.177 122.820 -0.164 0.000 2.587 648 A HA 0.361 4.680 4.320 -0.002 0.000 0.293 648 A C -1.074 176.491 177.584 -0.030 0.000 1.087 648 A CA -0.707 51.182 52.037 -0.248 0.000 0.692 648 A CB 1.376 20.011 19.000 -0.609 0.000 1.291 648 A HN 0.097 nan 8.150 nan 0.000 0.407 649 E N 0.482 120.705 120.200 0.037 0.000 2.452 649 E HA 0.118 4.467 4.350 -0.002 0.000 0.261 649 E C -0.049 176.616 176.600 0.108 0.000 0.987 649 E CA 0.893 57.357 56.400 0.106 0.000 0.926 649 E CB -0.143 29.645 29.700 0.148 0.000 0.934 649 E HN 0.657 nan 8.360 nan 0.000 0.452 650 N N 2.675 121.464 118.700 0.148 0.000 2.776 650 N HA -0.203 4.536 4.740 -0.002 0.000 0.250 650 N C -0.288 175.303 175.510 0.135 0.000 1.112 650 N CA 0.768 53.908 53.050 0.149 0.000 0.733 650 N CB -0.457 38.103 38.487 0.122 0.000 1.097 650 N HN 0.594 nan 8.380 nan 0.000 0.558 651 E N -0.990 119.294 120.200 0.141 0.000 2.476 651 E HA -0.015 4.334 4.350 -0.002 0.000 0.199 651 E C 1.178 177.814 176.600 0.060 0.000 1.021 651 E CA -0.325 56.144 56.400 0.115 0.000 0.907 651 E CB 0.115 29.869 29.700 0.091 0.000 0.974 651 E HN 0.446 nan 8.360 nan 0.000 0.489 652 W N 2.667 123.914 121.300 -0.088 0.000 2.358 652 W HA -0.107 4.552 4.660 -0.002 0.000 0.303 652 W C 0.116 176.533 176.519 -0.169 0.000 1.208 652 W CA 1.190 58.396 57.345 -0.232 0.000 1.274 652 W CB 0.203 29.541 29.460 -0.204 0.000 1.138 652 W HN -0.059 nan 8.180 nan 0.000 0.515 653 E N 0.348 120.635 120.200 0.145 0.000 2.404 653 E HA 0.266 4.615 4.350 -0.002 0.000 0.261 653 E C 0.225 176.850 176.600 0.041 0.000 1.074 653 E CA 0.088 56.528 56.400 0.067 0.000 0.917 653 E CB 0.566 30.291 29.700 0.043 0.000 0.965 653 E HN 0.076 nan 8.360 nan 0.000 0.433 654 A N 1.690 124.502 122.820 -0.012 0.000 2.540 654 A HA 0.391 4.710 4.320 -0.002 0.000 0.239 654 A C 1.409 178.959 177.584 -0.058 0.000 1.061 654 A CA 0.566 52.576 52.037 -0.046 0.000 0.758 654 A CB -0.751 18.264 19.000 0.025 0.000 0.991 654 A HN 0.891 nan 8.150 nan 0.000 0.502 655 G N 0.873 109.607 108.800 -0.109 0.000 2.184 655 G HA2 0.080 4.039 3.960 -0.002 0.000 0.264 655 G HA3 0.080 4.039 3.960 -0.002 0.000 0.264 655 G C 0.639 175.512 174.900 -0.046 0.000 0.975 655 G CA 0.623 45.675 45.100 -0.079 0.000 0.642 655 G HN 2.281 nan 8.290 nan 0.000 0.536 656 A N 1.667 124.478 122.820 -0.016 0.000 2.451 656 A HA 0.618 4.937 4.320 -0.002 0.000 0.266 656 A C -0.984 176.626 177.584 0.043 0.000 1.119 656 A CA -0.409 51.648 52.037 0.033 0.000 0.786 656 A CB 0.279 19.326 19.000 0.079 0.000 1.061 656 A HN 0.308 nan 8.150 nan 0.000 0.503 657 P HA 0.177 nan 4.420 nan 0.000 0.275 657 P C -0.745 176.607 177.300 0.087 0.000 1.228 657 P CA -0.415 62.717 63.100 0.053 0.000 0.786 657 P CB 0.544 32.271 31.700 0.045 0.000 0.927 658 D N 1.144 121.609 120.400 0.108 0.000 2.506 658 D HA 0.040 4.679 4.640 -0.002 0.000 0.234 658 D C 0.011 176.346 176.300 0.058 0.000 1.143 658 D CA 1.127 55.185 54.000 0.097 0.000 0.871 658 D CB 0.037 40.890 40.800 0.088 0.000 1.190 658 D HN 0.292 nan 8.370 nan 0.000 0.459 659 D N 1.762 122.171 120.400 0.016 0.000 2.363 659 D HA 0.159 4.798 4.640 -0.002 0.000 0.258 659 D C -0.544 175.746 176.300 -0.017 0.000 1.259 659 D CA -0.603 53.420 54.000 0.037 0.000 0.921 659 D CB 0.276 41.108 40.800 0.053 0.000 1.201 659 D HN 0.038 nan 8.370 nan 0.000 0.524 660 R N 1.207 121.712 120.500 0.009 0.000 2.893 660 R HA 0.414 4.753 4.340 -0.002 0.000 0.245 660 R C 0.201 176.612 176.300 0.185 0.000 1.192 660 R CA -0.727 55.338 56.100 -0.057 0.000 1.077 660 R CB 0.014 30.095 30.300 -0.366 0.000 1.253 660 R HN 0.477 nan 8.270 nan 0.000 0.505 661 Y N -1.667 118.835 120.300 0.335 0.000 4.668 661 Y HA -0.345 4.204 4.550 -0.002 0.000 0.234 661 Y C -0.015 175.974 175.900 0.148 0.000 1.056 661 Y CA 1.269 59.486 58.100 0.194 0.000 2.025 661 Y CB -1.797 36.736 38.460 0.122 0.000 1.613 661 Y HN 0.533 nan 8.280 nan 0.000 0.653 662 K N -0.631 119.949 120.400 0.300 0.000 2.523 662 K HA 0.895 5.214 4.320 -0.002 0.000 0.257 662 K C -0.536 176.167 176.600 0.172 0.000 0.932 662 K CA -0.617 55.784 56.287 0.189 0.000 0.812 662 K CB 2.074 34.676 32.500 0.171 0.000 1.326 662 K HN 0.162 nan 8.250 nan 0.000 0.433 663 A N 1.753 124.610 122.820 0.060 0.000 2.540 663 A HA 0.433 4.752 4.320 -0.002 0.000 0.239 663 A C 0.045 177.691 177.584 0.103 0.000 1.061 663 A CA 0.568 52.619 52.037 0.024 0.000 0.758 663 A CB -0.341 18.693 19.000 0.056 0.000 0.991 663 A HN 0.965 nan 8.150 nan 0.000 0.502 664 S N 0.877 116.616 115.700 0.064 0.000 2.752 664 S HA 0.656 5.125 4.470 -0.002 0.000 0.284 664 S C -1.244 173.256 174.600 -0.166 0.000 1.189 664 S CA -0.626 57.616 58.200 0.071 0.000 0.835 664 S CB 0.676 63.985 63.200 0.182 0.000 1.192 664 S HN 0.560 nan 8.310 nan 0.000 0.506 665 Y N 1.800 122.154 120.300 0.089 0.000 2.863 665 Y HA 0.445 4.994 4.550 -0.002 0.000 0.348 665 Y C -2.527 173.392 175.900 0.032 0.000 1.028 665 Y CA -2.020 56.103 58.100 0.038 0.000 1.213 665 Y CB 1.196 39.670 38.460 0.024 0.000 1.120 665 Y HN 0.419 nan 8.280 nan 0.000 0.598 666 P HA 0.054 nan 4.420 nan 0.000 0.268 666 P C -0.402 176.921 177.300 0.038 0.000 1.204 666 P CA 0.017 63.168 63.100 0.085 0.000 0.768 666 P CB 0.920 32.662 31.700 0.070 0.000 0.842 667 R N 1.296 121.777 120.500 -0.032 0.000 2.441 667 R HA 0.451 4.790 4.340 -0.002 0.000 0.284 667 R C 0.361 176.402 176.300 -0.432 0.000 1.070 667 R CA -0.196 55.713 56.100 -0.318 0.000 1.047 667 R CB 0.381 30.319 30.300 -0.604 0.000 1.016 667 R HN 0.385 nan 8.270 nan 0.000 0.477 668 T N 3.334 117.589 114.554 -0.499 0.000 2.797 668 T HA 0.503 4.852 4.350 -0.002 0.000 0.279 668 T C -0.823 173.480 174.700 -0.661 0.000 0.991 668 T CA -0.359 61.513 62.100 -0.379 0.000 0.979 668 T CB 0.465 69.245 68.868 -0.147 0.000 0.943 668 T HN 0.241 nan 8.240 nan 0.000 0.444 669 F N 2.177 121.934 119.950 -0.321 0.000 2.579 669 F HA 0.696 5.222 4.527 -0.001 0.000 0.324 669 F C -0.305 175.422 175.800 -0.122 0.000 1.058 669 F CA -1.222 56.599 58.000 -0.297 0.000 0.944 669 F CB 1.414 40.068 39.000 -0.576 0.000 1.245 669 F HN 0.591 nan 8.300 nan 0.000 0.477 670 Y N 0.423 120.669 120.300 -0.090 0.000 2.576 670 Y HA 0.932 5.481 4.550 -0.002 0.000 0.346 670 Y C -1.435 174.335 175.900 -0.217 0.000 1.018 670 Y CA -1.843 56.026 58.100 -0.385 0.000 1.050 670 Y CB 1.343 39.144 38.460 -1.098 0.000 1.280 670 Y HN 0.835 nan 8.280 nan 0.000 0.474 671 A N 2.850 125.280 122.820 -0.650 0.000 2.587 671 A HA 0.881 5.200 4.320 -0.002 0.000 0.293 671 A C -1.458 175.784 177.584 -0.571 0.000 1.087 671 A CA -1.318 50.184 52.037 -0.892 0.000 0.692 671 A CB 1.766 19.978 19.000 -1.314 0.000 1.291 671 A HN 0.846 nan 8.150 nan 0.000 0.407 672 R N -0.100 120.099 120.500 -0.502 0.000 2.637 672 R HA 0.716 5.055 4.340 -0.002 0.000 0.291 672 R C -1.238 174.885 176.300 -0.294 0.000 0.963 672 R CA -0.562 55.368 56.100 -0.283 0.000 0.901 672 R CB 2.179 32.365 30.300 -0.190 0.000 1.160 672 R HN 0.717 nan 8.270 nan 0.000 0.457 673 L N 1.753 122.842 121.223 -0.223 0.000 2.436 673 L HA 0.501 4.840 4.340 -0.002 0.000 0.268 673 L C -1.200 175.582 176.870 -0.147 0.000 0.974 673 L CA -0.783 53.923 54.840 -0.223 0.000 0.826 673 L CB 2.154 44.043 42.059 -0.283 0.000 1.291 673 L HN 0.594 nan 8.230 nan 0.000 0.406 674 N N 3.441 122.072 118.700 -0.115 0.000 2.444 674 N HA 0.108 4.847 4.740 -0.002 0.000 0.271 674 N C 0.949 176.473 175.510 0.023 0.000 1.069 674 N CA -0.013 53.006 53.050 -0.053 0.000 0.965 674 N CB 2.079 40.536 38.487 -0.050 0.000 1.092 674 N HN 0.743 nan 8.380 nan 0.000 0.476 675 V N 1.855 121.815 119.914 0.076 0.000 2.759 675 V HA -0.104 4.015 4.120 -0.002 0.000 0.256 675 V C 1.310 177.546 176.094 0.236 0.000 1.080 675 V CA 1.454 63.902 62.300 0.246 0.000 1.101 675 V CB -0.736 31.226 31.823 0.232 0.000 0.698 675 V HN 0.601 nan 8.190 nan 0.000 0.477 676 N N 1.128 119.897 118.700 0.116 0.000 2.250 676 N HA -0.063 4.676 4.740 -0.002 0.000 0.181 676 N C 1.694 177.266 175.510 0.102 0.000 1.017 676 N CA 1.157 54.256 53.050 0.081 0.000 0.866 676 N CB -0.319 38.188 38.487 0.034 0.000 0.985 676 N HN 0.419 nan 8.380 nan 0.000 0.429 677 N N 0.535 119.283 118.700 0.079 0.000 2.223 677 N HA -0.189 4.550 4.740 -0.002 0.000 0.185 677 N C -0.098 175.485 175.510 0.122 0.000 1.016 677 N CA 0.426 53.508 53.050 0.054 0.000 0.863 677 N CB -0.261 38.216 38.487 -0.016 0.000 0.983 677 N HN 0.382 nan 8.380 nan 0.000 0.429 678 W N 1.959 123.207 121.300 -0.087 0.000 7.223 678 W HA -0.272 4.387 4.660 -0.002 0.000 0.419 678 W C -0.640 175.800 176.519 -0.132 0.000 1.661 678 W CA 0.390 57.673 57.345 -0.103 0.000 1.173 678 W CB -1.199 28.221 29.460 -0.067 0.000 2.887 678 W HN 0.064 nan 8.180 nan 0.000 1.606 679 N N 1.279 119.800 118.700 -0.299 0.000 2.578 679 N HA 0.393 5.132 4.740 -0.002 0.000 0.282 679 N C -0.109 175.191 175.510 -0.349 0.000 1.119 679 N CA 0.417 53.283 53.050 -0.307 0.000 0.948 679 N CB 1.288 39.686 38.487 -0.148 0.000 1.546 679 N HN 0.053 nan 8.380 nan 0.000 0.525 680 A N 2.449 125.005 122.820 -0.439 0.000 2.345 680 A HA 0.167 4.486 4.320 -0.002 0.000 0.225 680 A C 0.948 178.382 177.584 -0.250 0.000 1.243 680 A CA 0.048 51.837 52.037 -0.414 0.000 0.875 680 A CB 0.059 18.659 19.000 -0.666 0.000 0.929 680 A HN 0.621 nan 8.150 nan 0.000 0.502 681 D N 1.135 121.416 120.400 -0.199 0.000 2.158 681 D HA -0.131 4.508 4.640 -0.002 0.000 0.197 681 D C 0.244 176.495 176.300 -0.083 0.000 0.995 681 D CA 1.341 55.263 54.000 -0.130 0.000 0.846 681 D CB -0.012 40.724 40.800 -0.106 0.000 0.941 681 D HN 0.409 nan 8.370 nan 0.000 0.456 682 D N 0.020 120.359 120.400 -0.101 0.000 2.525 682 D HA 0.115 4.754 4.640 -0.002 0.000 0.229 682 D C 0.690 176.908 176.300 -0.137 0.000 1.202 682 D CA -0.361 53.593 54.000 -0.076 0.000 0.828 682 D CB 0.294 41.049 40.800 -0.075 0.000 1.008 682 D HN 0.245 nan 8.370 nan 0.000 0.493 683 I N 1.370 121.832 120.570 -0.180 0.000 2.845 683 I HA -0.140 4.029 4.170 -0.002 0.000 0.296 683 I C 0.050 175.965 176.117 -0.336 0.000 1.216 683 I CA 0.604 61.707 61.300 -0.328 0.000 1.438 683 I CB 0.508 38.274 38.000 -0.389 0.000 1.342 683 I HN -0.143 nan 8.210 nan 0.000 0.577 684 E N 7.004 126.889 120.200 -0.524 0.000 2.101 684 E HA 0.170 4.519 4.350 -0.002 0.000 0.260 684 E C -1.653 174.601 176.600 -0.576 0.000 0.897 684 E CA -0.414 55.629 56.400 -0.596 0.000 0.744 684 E CB 0.688 29.775 29.700 -1.021 0.000 1.140 684 E HN 0.476 nan 8.360 nan 0.000 0.419 685 W N 2.873 124.055 121.300 -0.196 0.000 2.345 685 W HA 0.247 4.906 4.660 -0.002 0.000 0.308 685 W C -0.285 176.153 176.519 -0.135 0.000 1.273 685 W CA -0.581 56.591 57.345 -0.288 0.000 1.243 685 W CB 0.765 29.895 29.460 -0.549 0.000 1.260 685 W HN 0.183 nan 8.180 nan 0.000 0.509 686 V N 4.663 124.601 119.914 0.040 0.000 2.357 686 V HA 0.090 4.209 4.120 -0.002 0.000 0.284 686 V C 0.023 176.149 176.094 0.054 0.000 1.018 686 V CA -1.111 61.200 62.300 0.018 0.000 0.841 686 V CB 1.007 32.743 31.823 -0.145 0.000 0.991 686 V HN 0.418 nan 8.190 nan 0.000 0.437 687 N N 4.568 123.176 118.700 -0.153 0.000 2.405 687 N HA 0.230 4.969 4.740 -0.002 0.000 0.260 687 N C 0.610 175.986 175.510 -0.223 0.000 1.152 687 N CA -0.084 52.645 53.050 -0.536 0.000 0.948 687 N CB 0.681 38.700 38.487 -0.781 0.000 1.111 687 N HN 0.706 nan 8.380 nan 0.000 0.485 688 I N -0.371 120.067 120.570 -0.220 0.000 4.139 688 I HA 0.351 4.520 4.170 -0.002 0.000 0.320 688 I C 0.558 176.621 176.117 -0.091 0.000 1.290 688 I CA -0.226 60.999 61.300 -0.126 0.000 1.253 688 I CB 0.443 38.270 38.000 -0.288 0.000 1.122 688 I HN 0.363 nan 8.210 nan 0.000 0.421 689 T N 0.167 114.644 114.554 -0.128 0.000 2.885 689 T HA 0.390 4.739 4.350 -0.002 0.000 0.322 689 T C -2.061 172.611 174.700 -0.047 0.000 1.387 689 T CA -0.507 61.590 62.100 -0.005 0.000 1.041 689 T CB 2.066 71.014 68.868 0.133 0.000 1.287 689 T HN 0.053 nan 8.240 nan 0.000 0.491 690 D N 2.351 122.753 120.400 0.004 0.000 2.362 690 D HA 0.661 5.300 4.640 -0.002 0.000 0.247 690 D C -0.279 176.044 176.300 0.038 0.000 1.050 690 D CA -0.255 53.758 54.000 0.021 0.000 0.839 690 D CB 2.068 42.905 40.800 0.061 0.000 1.283 690 D HN 0.350 nan 8.370 nan 0.000 0.477 691 Q N 0.350 120.162 119.800 0.020 0.000 2.527 691 Q HA 0.657 4.996 4.340 -0.002 0.000 0.220 691 Q C -0.455 175.481 176.000 -0.107 0.000 1.014 691 Q CA -0.612 55.133 55.803 -0.097 0.000 0.978 691 Q CB 1.442 30.112 28.738 -0.113 0.000 1.245 691 Q HN 0.409 nan 8.270 nan 0.000 0.513 692 I N 0.697 121.111 120.570 -0.260 0.000 2.474 692 I HA 0.314 4.483 4.170 -0.002 0.000 0.294 692 I C -1.257 174.709 176.117 -0.252 0.000 1.005 692 I CA -0.986 60.059 61.300 -0.425 0.000 1.113 692 I CB 1.420 39.028 38.000 -0.654 0.000 1.289 692 I HN 0.512 nan 8.210 nan 0.000 0.436 693 Y N 5.910 126.016 120.300 -0.323 0.000 2.331 693 Y HA 0.209 4.758 4.550 -0.002 0.000 0.338 693 Y C 1.088 176.861 175.900 -0.213 0.000 0.976 693 Y CA -0.219 57.755 58.100 -0.210 0.000 1.137 693 Y CB 1.305 39.693 38.460 -0.122 0.000 1.172 693 Y HN 0.597 nan 8.280 nan 0.000 0.478 694 Q N 4.462 123.829 119.800 -0.721 0.000 2.079 694 Q HA 0.013 4.352 4.340 -0.002 0.000 0.200 694 Q C 1.436 177.049 176.000 -0.644 0.000 0.974 694 Q CA 2.060 57.519 55.803 -0.574 0.000 0.840 694 Q CB -0.230 28.254 28.738 -0.423 0.000 0.898 694 Q HN 1.267 nan 8.270 nan 0.000 0.430 695 G N -1.581 106.539 108.800 -1.134 0.000 2.175 695 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.244 695 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.244 695 G C 0.840 175.628 174.900 -0.187 0.000 0.982 695 G CA 0.644 45.329 45.100 -0.693 0.000 0.641 695 G HN 0.583 nan 8.290 nan 0.000 0.527 696 G N 0.205 108.892 108.800 -0.189 0.000 2.484 696 G HA2 0.406 4.365 3.960 -0.002 0.000 0.218 696 G HA3 0.406 4.365 3.960 -0.002 0.000 0.218 696 G C 0.879 175.881 174.900 0.170 0.000 1.130 696 G CA 1.254 46.353 45.100 -0.001 0.000 0.784 696 G HN 1.530 nan 8.290 nan 0.000 0.543 697 I N -4.474 116.147 120.570 0.086 0.000 3.074 697 I HA 0.527 4.696 4.170 -0.002 0.000 0.310 697 I C 1.022 177.156 176.117 0.027 0.000 1.153 697 I CA -1.108 60.303 61.300 0.186 0.000 0.993 697 I CB 1.889 39.926 38.000 0.063 0.000 1.237 697 I HN -0.220 nan 8.210 nan 0.000 0.443 698 V N 2.777 122.640 119.914 -0.085 0.000 2.490 698 V HA -0.134 3.985 4.120 -0.002 0.000 0.250 698 V C 1.071 177.090 176.094 -0.125 0.000 1.061 698 V CA 1.629 63.712 62.300 -0.363 0.000 1.064 698 V CB -0.902 30.740 31.823 -0.302 0.000 0.670 698 V HN 0.873 nan 8.190 nan 0.000 0.461 699 N N 0.138 118.778 118.700 -0.101 0.000 2.482 699 N HA 0.253 4.992 4.740 -0.002 0.000 0.260 699 N C -0.499 175.057 175.510 0.076 0.000 1.236 699 N CA 0.424 53.329 53.050 -0.242 0.000 0.938 699 N CB 0.896 38.945 38.487 -0.731 0.000 1.128 699 N HN 0.273 nan 8.380 nan 0.000 0.448 700 S N -0.519 115.255 115.700 0.124 0.000 2.557 700 S HA 0.515 4.984 4.470 -0.002 0.000 0.291 700 S C 0.676 175.489 174.600 0.355 0.000 1.116 700 S CA -0.848 57.530 58.200 0.296 0.000 0.992 700 S CB 1.212 64.496 63.200 0.139 0.000 1.028 700 S HN 0.658 nan 8.310 nan 0.000 0.484 701 G N 2.340 111.289 108.800 0.248 0.000 2.985 701 G HA2 0.182 4.141 3.960 -0.002 0.000 0.209 701 G HA3 0.182 4.141 3.960 -0.002 0.000 0.209 701 G C 0.561 175.432 174.900 -0.049 0.000 1.165 701 G CA 0.464 45.584 45.100 0.033 0.000 0.776 701 G HN 0.934 nan 8.290 nan 0.000 0.541 702 V N 0.340 120.281 119.914 0.044 0.000 2.637 702 V HA 0.591 4.710 4.120 -0.002 0.000 0.296 702 V C 0.994 177.177 176.094 0.148 0.000 1.046 702 V CA 0.924 63.262 62.300 0.064 0.000 1.066 702 V CB 0.535 32.400 31.823 0.071 0.000 0.968 702 V HN 1.293 nan 8.190 nan 0.000 0.483 703 G N 3.729 112.684 108.800 0.257 0.000 2.520 703 G HA2 -0.060 3.899 3.960 -0.002 0.000 0.248 703 G HA3 -0.060 3.899 3.960 -0.002 0.000 0.248 703 G C 0.478 175.549 174.900 0.285 0.000 1.161 703 G CA 0.468 45.794 45.100 0.376 0.000 0.946 703 G HN 2.458 nan 8.290 nan 0.000 0.565 704 V N -2.104 117.992 119.914 0.304 0.000 5.678 704 V HA 0.138 4.257 4.120 -0.002 0.000 0.205 704 V C 1.175 177.473 176.094 0.339 0.000 0.703 704 V CA 1.906 64.401 62.300 0.325 0.000 0.545 704 V CB -1.989 30.027 31.823 0.322 0.000 0.202 704 V HN 2.494 nan 8.190 nan 0.000 0.481 705 G N 0.216 109.259 108.800 0.404 0.000 2.736 705 G HA2 0.757 4.716 3.960 -0.002 0.000 0.229 705 G HA3 0.757 4.716 3.960 -0.002 0.000 0.229 705 G C -0.301 174.833 174.900 0.390 0.000 1.380 705 G CA -0.248 45.051 45.100 0.331 0.000 1.040 705 G HN 1.545 nan 8.290 nan 0.000 0.568 706 S N -2.469 113.443 115.700 0.353 0.000 2.550 706 S HA 0.582 5.051 4.470 -0.002 0.000 0.270 706 S C -1.551 173.251 174.600 0.337 0.000 1.145 706 S CA -0.472 57.920 58.200 0.320 0.000 0.852 706 S CB 1.798 65.137 63.200 0.231 0.000 1.119 706 S HN 0.641 nan 8.310 nan 0.000 0.465 707 V N 3.485 123.578 119.914 0.299 0.000 2.656 707 V HA 0.847 4.966 4.120 -0.002 0.000 0.307 707 V C -0.462 175.779 176.094 0.245 0.000 1.051 707 V CA -0.494 61.975 62.300 0.280 0.000 0.893 707 V CB 1.639 33.650 31.823 0.315 0.000 0.999 707 V HN 0.951 nan 8.190 nan 0.000 0.426 708 V N 2.356 122.430 119.914 0.266 0.000 3.114 708 V HA 0.831 4.950 4.120 -0.002 0.000 0.308 708 V C -1.016 175.281 176.094 0.339 0.000 1.168 708 V CA -0.807 61.648 62.300 0.259 0.000 1.015 708 V CB 2.055 33.989 31.823 0.184 0.000 1.050 708 V HN 0.472 nan 8.190 nan 0.000 0.433 709 V N 2.351 122.448 119.914 0.305 0.000 2.459 709 V HA 0.632 4.751 4.120 -0.002 0.000 0.295 709 V C -0.142 176.125 176.094 0.288 0.000 1.029 709 V CA -0.478 62.019 62.300 0.328 0.000 0.874 709 V CB 1.646 33.627 31.823 0.263 0.000 0.985 709 V HN 1.045 nan 8.190 nan 0.000 0.438 710 K N 3.938 124.558 120.400 0.366 0.000 2.507 710 K HA 0.412 4.731 4.320 -0.002 0.000 0.252 710 K C -0.508 176.263 176.600 0.285 0.000 0.943 710 K CA -0.430 56.007 56.287 0.250 0.000 0.808 710 K CB 1.329 33.904 32.500 0.125 0.000 1.142 710 K HN 0.813 nan 8.250 nan 0.000 0.426 711 D N 1.568 122.080 120.400 0.186 0.000 3.771 711 D HA -0.310 4.329 4.640 -0.002 0.000 0.145 711 D C 0.385 176.766 176.300 0.134 0.000 0.892 711 D CA 1.854 55.948 54.000 0.157 0.000 1.080 711 D CB -0.628 40.274 40.800 0.170 0.000 0.498 711 D HN 0.900 nan 8.370 nan 0.000 0.499 712 N N 0.944 119.703 118.700 0.099 0.000 2.295 712 N HA 0.018 4.757 4.740 -0.002 0.000 0.221 712 N C -0.598 174.684 175.510 -0.379 0.000 1.129 712 N CA 0.158 53.139 53.050 -0.115 0.000 0.836 712 N CB 0.003 38.372 38.487 -0.197 0.000 1.040 712 N HN 0.396 nan 8.380 nan 0.000 0.494 713 Y N 0.281 120.611 120.300 0.049 0.000 2.462 713 Y HA 0.528 5.077 4.550 -0.002 0.000 0.346 713 Y C -0.251 175.641 175.900 -0.013 0.000 0.976 713 Y CA -1.039 57.017 58.100 -0.073 0.000 1.044 713 Y CB 2.086 40.390 38.460 -0.261 0.000 1.230 713 Y HN -0.106 nan 8.280 nan 0.000 0.455 714 I N 2.713 123.314 120.570 0.051 0.000 2.525 714 I HA 0.485 4.654 4.170 -0.002 0.000 0.301 714 I C -1.659 174.440 176.117 -0.030 0.000 0.992 714 I CA -0.775 60.621 61.300 0.160 0.000 1.162 714 I CB 1.081 39.228 38.000 0.245 0.000 1.332 714 I HN 0.571 nan 8.210 nan 0.000 0.458 715 Y N 6.299 126.683 120.300 0.140 0.000 2.373 715 Y HA 0.352 4.901 4.550 -0.002 0.000 0.336 715 Y C -1.182 174.735 175.900 0.029 0.000 0.979 715 Y CA -0.655 57.507 58.100 0.103 0.000 1.080 715 Y CB 1.552 40.090 38.460 0.130 0.000 1.190 715 Y HN 0.405 nan 8.280 nan 0.000 0.446 716 Y N 4.519 124.746 120.300 -0.123 0.000 2.356 716 Y HA 0.650 5.199 4.550 -0.002 0.000 0.334 716 Y C -1.389 174.618 175.900 0.178 0.000 0.958 716 Y CA -2.064 55.882 58.100 -0.258 0.000 1.196 716 Y CB 0.849 38.711 38.460 -0.997 0.000 1.137 716 Y HN 0.657 nan 8.280 nan 0.000 0.485 717 M N 8.829 128.430 119.600 0.003 0.000 2.180 717 M HA 0.520 4.999 4.480 -0.002 0.000 0.350 717 M C -1.267 174.980 176.300 -0.088 0.000 1.125 717 M CA -0.272 55.006 55.300 -0.038 0.000 1.031 717 M CB 0.964 33.528 32.600 -0.061 0.000 1.623 717 M HN 0.551 nan 8.290 nan 0.000 0.451 718 F N -0.450 119.242 119.950 -0.431 0.000 2.713 718 F HA 0.919 5.445 4.527 -0.002 0.000 0.311 718 F C -0.198 175.496 175.800 -0.177 0.000 1.141 718 F CA -1.514 56.261 58.000 -0.375 0.000 0.939 718 F CB 0.693 39.258 39.000 -0.725 0.000 1.325 718 F HN 0.568 nan 8.300 nan 0.000 0.453 719 G N -0.443 108.263 108.800 -0.158 0.000 2.507 719 G HA2 0.576 4.535 3.960 -0.002 0.000 0.271 719 G HA3 0.576 4.535 3.960 -0.002 0.000 0.271 719 G C -0.670 174.098 174.900 -0.220 0.000 1.189 719 G CA -0.447 44.522 45.100 -0.218 0.000 0.859 719 G HN 1.313 nan 8.290 nan 0.000 0.542 720 G N -0.264 108.457 108.800 -0.132 0.000 2.742 720 G HA2 0.589 4.548 3.960 -0.002 0.000 0.296 720 G HA3 0.589 4.548 3.960 -0.002 0.000 0.296 720 G C -0.773 174.070 174.900 -0.095 0.000 1.436 720 G CA -0.635 44.337 45.100 -0.213 0.000 0.928 720 G HN 0.579 nan 8.290 nan 0.000 0.520 721 E N -0.555 119.538 120.200 -0.178 0.000 2.664 721 E HA 0.635 4.984 4.350 -0.002 0.000 0.245 721 E C -0.768 175.679 176.600 -0.255 0.000 1.016 721 E CA -0.723 55.553 56.400 -0.208 0.000 0.963 721 E CB 1.315 30.869 29.700 -0.244 0.000 1.360 721 E HN 0.639 nan 8.360 nan 0.000 0.472 722 D N -1.993 118.219 120.400 -0.314 0.000 2.652 722 D HA 0.160 4.799 4.640 -0.002 0.000 0.285 722 D C 0.219 176.209 176.300 -0.516 0.000 1.173 722 D CA -0.597 53.142 54.000 -0.435 0.000 0.981 722 D CB 0.189 40.788 40.800 -0.334 0.000 1.440 722 D HN 0.331 nan 8.370 nan 0.000 0.485 723 H N -0.897 117.899 119.070 -0.456 0.000 2.563 723 H HA 0.129 4.684 4.556 -0.002 0.000 0.272 723 H C -0.150 174.982 175.328 -0.326 0.000 1.005 723 H CA 0.299 56.109 56.048 -0.396 0.000 1.171 723 H CB -0.263 29.297 29.762 -0.337 0.000 1.351 723 H HN 0.209 nan 8.280 nan 0.000 0.602 724 F N 2.011 121.893 119.950 -0.114 0.000 2.466 724 F HA 0.070 4.595 4.527 -0.002 0.000 0.363 724 F C 1.238 176.799 175.800 -0.399 0.000 1.109 724 F CA -1.009 56.878 58.000 -0.189 0.000 1.161 724 F CB -0.095 38.825 39.000 -0.132 0.000 1.117 724 F HN -0.029 nan 8.300 nan 0.000 0.539 725 N N 6.195 124.602 118.700 -0.489 0.000 2.458 725 N HA 0.015 4.754 4.740 -0.002 0.000 0.258 725 N C -1.492 173.356 175.510 -1.103 0.000 1.219 725 N CA -1.088 51.385 53.050 -0.962 0.000 0.902 725 N CB 1.282 38.738 38.487 -1.718 0.000 1.076 725 N HN 0.204 nan 8.380 nan 0.000 0.455 726 P HA -0.054 nan 4.420 nan 0.000 0.233 726 P C -0.499 176.638 177.300 -0.272 0.000 1.167 726 P CA 0.668 63.508 63.100 -0.433 0.000 0.770 726 P CB -0.125 31.488 31.700 -0.145 0.000 0.837 727 W N -1.676 119.609 121.300 -0.026 0.000 4.435 727 W HA -0.188 4.471 4.660 -0.002 0.000 0.351 727 W C 1.133 177.632 176.519 -0.033 0.000 1.319 727 W CA 0.150 57.489 57.345 -0.010 0.000 0.791 727 W CB -3.136 26.315 29.460 -0.015 0.000 2.419 727 W HN -0.080 nan 8.180 nan 0.000 1.406 728 T N -1.264 113.308 114.554 0.030 0.000 2.708 728 T HA -0.215 4.134 4.350 -0.002 0.000 0.266 728 T C 0.492 175.102 174.700 -0.151 0.000 1.037 728 T CA 1.476 63.496 62.100 -0.132 0.000 1.146 728 T CB -0.252 68.410 68.868 -0.343 0.000 0.865 728 T HN 0.192 nan 8.240 nan 0.000 0.435 729 Y N 1.366 121.779 120.300 0.188 0.000 2.676 729 Y HA 0.539 5.088 4.550 -0.002 0.000 0.338 729 Y C 1.014 177.053 175.900 0.232 0.000 1.057 729 Y CA -0.593 57.612 58.100 0.175 0.000 1.314 729 Y CB 0.457 39.009 38.460 0.153 0.000 1.164 729 Y HN 0.330 nan 8.280 nan 0.000 0.509 730 G N 1.784 110.760 108.800 0.294 0.000 2.373 730 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.250 730 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.250 730 G C -0.828 174.151 174.900 0.131 0.000 1.304 730 G CA -0.267 44.962 45.100 0.215 0.000 0.948 730 G HN 0.428 nan 8.290 nan 0.000 0.474 731 D N -0.547 119.890 120.400 0.060 0.000 2.328 731 D HA 0.058 4.697 4.640 -0.002 0.000 0.226 731 D C 0.631 176.974 176.300 0.073 0.000 1.066 731 D CA 0.397 54.414 54.000 0.029 0.000 0.861 731 D CB -0.114 40.655 40.800 -0.053 0.000 0.912 731 D HN 0.424 nan 8.370 nan 0.000 0.521 732 N N 0.192 118.971 118.700 0.132 0.000 2.610 732 N HA 0.007 4.746 4.740 -0.002 0.000 0.307 732 N C 0.680 176.251 175.510 0.102 0.000 1.813 732 N CA 0.096 53.217 53.050 0.118 0.000 0.901 732 N CB 0.537 39.106 38.487 0.138 0.000 1.354 732 N HN 0.089 nan 8.380 nan 0.000 0.491 733 S N -0.864 114.889 115.700 0.088 0.000 2.442 733 S HA -0.121 4.348 4.470 -0.002 0.000 0.236 733 S C 1.888 176.528 174.600 0.067 0.000 1.007 733 S CA 0.877 59.117 58.200 0.065 0.000 0.965 733 S CB -0.059 63.188 63.200 0.078 0.000 0.773 733 S HN 0.391 nan 8.310 nan 0.000 0.504 734 A N 1.576 124.442 122.820 0.077 0.000 2.168 734 A HA 0.185 4.504 4.320 -0.002 0.000 0.215 734 A C 1.106 178.755 177.584 0.108 0.000 1.152 734 A CA 0.676 52.763 52.037 0.082 0.000 0.716 734 A CB -0.619 18.429 19.000 0.080 0.000 0.794 734 A HN 0.571 nan 8.150 nan 0.000 0.465 735 K N -0.185 120.294 120.400 0.133 0.000 3.129 735 K HA -0.162 4.157 4.320 -0.002 0.000 0.273 735 K C -0.643 176.104 176.600 0.244 0.000 1.123 735 K CA 0.714 57.143 56.287 0.237 0.000 0.800 735 K CB -1.634 31.016 32.500 0.249 0.000 1.238 735 K HN 0.603 nan 8.250 nan 0.000 0.492 736 D N 0.831 121.306 120.400 0.125 0.000 2.382 736 D HA 0.046 4.685 4.640 -0.002 0.000 0.259 736 D C -1.369 174.891 176.300 -0.067 0.000 1.224 736 D CA -1.988 52.056 54.000 0.073 0.000 0.894 736 D CB 1.091 41.944 40.800 0.089 0.000 1.127 736 D HN -0.024 nan 8.370 nan 0.000 0.487 737 P HA -0.074 nan 4.420 nan 0.000 0.220 737 P C 0.532 177.414 177.300 -0.697 0.000 1.148 737 P CA 0.877 63.616 63.100 -0.603 0.000 0.803 737 P CB 0.007 30.991 31.700 -1.195 0.000 0.782 738 F N -0.723 119.197 119.950 -0.051 0.000 2.732 738 F HA 0.183 4.709 4.527 -0.002 0.000 0.303 738 F C 0.948 176.737 175.800 -0.019 0.000 1.110 738 F CA -0.076 57.900 58.000 -0.040 0.000 1.355 738 F CB -0.541 38.448 39.000 -0.019 0.000 1.081 738 F HN -0.284 nan 8.300 nan 0.000 0.565 739 K N 0.134 120.564 120.400 0.051 0.000 2.156 739 K HA 0.430 4.748 4.320 -0.002 0.000 0.271 739 K C 0.894 177.507 176.600 0.020 0.000 0.995 739 K CA 0.062 56.377 56.287 0.047 0.000 0.890 739 K CB 1.800 34.331 32.500 0.051 0.000 1.073 739 K HN 0.076 nan 8.250 nan 0.000 0.454 740 S N 2.003 117.723 115.700 0.033 0.000 4.054 740 S HA -0.252 4.217 4.470 -0.002 0.000 0.618 740 S C 0.422 174.999 174.600 -0.038 0.000 2.026 740 S CA 1.682 59.903 58.200 0.034 0.000 4.205 740 S CB -1.029 62.272 63.200 0.169 0.000 0.233 740 S HN 0.860 nan 8.310 nan 0.000 0.612 741 D N 2.959 123.313 120.400 -0.076 0.000 2.340 741 D HA 0.366 5.005 4.640 -0.002 0.000 0.217 741 D C 1.362 177.562 176.300 -0.166 0.000 1.081 741 D CA 1.127 55.019 54.000 -0.181 0.000 0.842 741 D CB -0.149 40.444 40.800 -0.344 0.000 0.934 741 D HN 0.993 nan 8.370 nan 0.000 0.511 742 G N 1.267 109.942 108.800 -0.208 0.000 2.582 742 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.288 742 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.288 742 G C -0.405 174.211 174.900 -0.474 0.000 1.247 742 G CA -0.134 44.744 45.100 -0.369 0.000 0.972 742 G HN 0.469 nan 8.290 nan 0.000 0.557 743 H N 2.140 121.151 119.070 -0.100 0.000 2.467 743 H HA 0.460 5.015 4.556 -0.002 0.000 0.326 743 H C -1.112 174.109 175.328 -0.179 0.000 1.094 743 H CA -1.162 54.819 56.048 -0.112 0.000 1.253 743 H CB 1.874 31.629 29.762 -0.011 0.000 1.439 743 H HN 0.322 nan 8.280 nan 0.000 0.479 744 P HA -0.084 nan 4.420 nan 0.000 0.229 744 P C 0.451 177.615 177.300 -0.225 0.000 1.160 744 P CA 0.435 63.443 63.100 -0.153 0.000 0.777 744 P CB 0.462 32.047 31.700 -0.191 0.000 0.814 745 S N 0.626 116.085 115.700 -0.401 0.000 2.516 745 S HA 0.168 4.637 4.470 -0.002 0.000 0.282 745 S C -0.116 174.309 174.600 -0.292 0.000 1.286 745 S CA 0.007 57.942 58.200 -0.441 0.000 1.066 745 S CB -0.286 62.403 63.200 -0.852 0.000 0.884 745 S HN -0.024 nan 8.310 nan 0.000 0.491 746 D N 2.241 122.494 120.400 -0.245 0.000 2.626 746 D HA 0.391 5.030 4.640 -0.002 0.000 0.278 746 D C -0.773 175.278 176.300 -0.415 0.000 1.211 746 D CA -0.486 53.321 54.000 -0.322 0.000 0.903 746 D CB 1.326 41.926 40.800 -0.334 0.000 1.408 746 D HN 0.410 nan 8.370 nan 0.000 0.454 747 L N 0.988 121.850 121.223 -0.603 0.000 2.343 747 L HA 0.449 4.788 4.340 -0.002 0.000 0.275 747 L C -0.758 175.572 176.870 -0.900 0.000 1.056 747 L CA -0.522 53.937 54.840 -0.635 0.000 0.804 747 L CB 0.597 42.262 42.059 -0.656 0.000 1.203 747 L HN 0.323 nan 8.230 nan 0.000 0.440 748 Y N 0.309 120.186 120.300 -0.704 0.000 2.634 748 Y HA 0.547 5.096 4.550 -0.002 0.000 0.340 748 Y C -0.327 175.277 175.900 -0.494 0.000 1.058 748 Y CA -0.709 57.008 58.100 -0.639 0.000 1.081 748 Y CB 2.083 40.022 38.460 -0.869 0.000 1.295 748 Y HN 0.481 nan 8.280 nan 0.000 0.487 749 C N 1.880 121.184 119.300 0.008 0.000 2.607 749 C HA 0.492 4.951 4.460 -0.002 0.000 0.350 749 C C -1.656 173.608 174.990 0.456 0.000 1.101 749 C CA -0.815 58.321 59.018 0.195 0.000 1.282 749 C CB -0.631 27.127 27.740 0.029 0.000 1.825 749 C HN 0.765 nan 8.230 nan 0.000 0.460 750 Y N 5.019 125.572 120.300 0.422 0.000 2.341 750 Y HA 0.476 5.025 4.550 -0.002 0.000 0.340 750 Y C 0.262 176.283 175.900 0.201 0.000 0.997 750 Y CA 0.203 58.506 58.100 0.339 0.000 1.149 750 Y CB 0.520 39.167 38.460 0.312 0.000 1.171 750 Y HN 0.729 nan 8.280 nan 0.000 0.494 751 K N 8.337 128.621 120.400 -0.194 0.000 2.293 751 K HA 0.388 4.707 4.320 -0.002 0.000 0.267 751 K C -1.302 175.175 176.600 -0.207 0.000 1.010 751 K CA -0.653 55.488 56.287 -0.244 0.000 0.875 751 K CB 0.675 33.084 32.500 -0.152 0.000 1.106 751 K HN 0.861 nan 8.250 nan 0.000 0.450 752 M N 4.634 124.227 119.600 -0.010 0.000 2.253 752 M HA 0.269 4.748 4.480 -0.002 0.000 0.314 752 M C -1.090 175.253 176.300 0.071 0.000 1.019 752 M CA -0.772 54.604 55.300 0.127 0.000 0.932 752 M CB 1.488 34.253 32.600 0.276 0.000 1.606 752 M HN 0.500 nan 8.290 nan 0.000 0.430 753 K N 3.379 123.773 120.400 -0.010 0.000 2.368 753 K HA 0.184 4.503 4.320 -0.002 0.000 0.282 753 K C -0.132 176.327 176.600 -0.235 0.000 1.035 753 K CA 0.108 56.176 56.287 -0.366 0.000 0.973 753 K CB 0.656 32.984 32.500 -0.286 0.000 0.957 753 K HN 0.749 nan 8.250 nan 0.000 0.474 754 I N 2.369 122.764 120.570 -0.291 0.000 4.439 754 I HA 0.296 4.465 4.170 -0.002 0.000 0.331 754 I C 0.172 176.212 176.117 -0.128 0.000 1.345 754 I CA 0.026 61.244 61.300 -0.137 0.000 1.193 754 I CB 1.211 39.174 38.000 -0.061 0.000 1.221 754 I HN 0.743 nan 8.210 nan 0.000 0.429 755 G N 0.430 109.115 108.800 -0.191 0.000 2.623 755 G HA2 0.500 4.459 3.960 -0.002 0.000 0.290 755 G HA3 0.500 4.459 3.960 -0.002 0.000 0.290 755 G C -3.115 171.698 174.900 -0.145 0.000 1.437 755 G CA -0.857 44.165 45.100 -0.129 0.000 0.798 755 G HN -0.276 nan 8.290 nan 0.000 0.488 756 P HA 0.187 nan 4.420 nan 0.000 0.269 756 P C -1.155 176.114 177.300 -0.052 0.000 1.209 756 P CA 0.063 63.125 63.100 -0.064 0.000 0.776 756 P CB 1.322 33.000 31.700 -0.036 0.000 0.876 757 D N 2.117 122.501 120.400 -0.027 0.000 2.460 757 D HA 0.145 4.784 4.640 -0.002 0.000 0.232 757 D C -0.160 176.156 176.300 0.026 0.000 1.079 757 D CA -0.328 53.684 54.000 0.021 0.000 0.864 757 D CB -0.128 40.712 40.800 0.066 0.000 1.048 757 D HN 0.185 nan 8.370 nan 0.000 0.523 758 N N 2.233 120.948 118.700 0.025 0.000 2.322 758 N HA 0.119 4.858 4.740 -0.002 0.000 0.216 758 N C 0.110 175.635 175.510 0.026 0.000 1.144 758 N CA -0.038 53.024 53.050 0.021 0.000 0.830 758 N CB 0.696 39.192 38.487 0.015 0.000 1.034 758 N HN 0.073 nan 8.380 nan 0.000 0.484 759 R N 0.065 120.587 120.500 0.037 0.000 2.803 759 R HA 0.439 4.778 4.340 -0.002 0.000 0.276 759 R C -0.481 175.843 176.300 0.040 0.000 0.978 759 R CA -0.864 55.258 56.100 0.037 0.000 0.939 759 R CB 2.079 32.406 30.300 0.045 0.000 1.179 759 R HN -0.064 nan 8.270 nan 0.000 0.472 760 V N 1.287 121.221 119.914 0.034 0.000 3.287 760 V HA -0.047 4.072 4.120 -0.002 0.000 0.306 760 V C 0.767 176.886 176.094 0.041 0.000 1.103 760 V CA 0.437 62.757 62.300 0.034 0.000 1.159 760 V CB 1.637 33.477 31.823 0.028 0.000 1.036 760 V HN 0.792 nan 8.190 nan 0.000 0.487 761 S N 1.842 117.567 115.700 0.041 0.000 2.560 761 S HA 0.140 4.609 4.470 -0.002 0.000 0.284 761 S C 0.816 175.445 174.600 0.048 0.000 1.327 761 S CA -0.150 58.076 58.200 0.043 0.000 1.055 761 S CB 0.187 63.410 63.200 0.039 0.000 0.868 761 S HN 0.619 nan 8.310 nan 0.000 0.506 762 R N 1.572 122.096 120.500 0.041 0.000 2.362 762 R HA 0.300 4.639 4.340 -0.002 0.000 0.227 762 R C -0.434 175.911 176.300 0.075 0.000 0.905 762 R CA -0.122 56.016 56.100 0.064 0.000 1.067 762 R CB 0.087 30.412 30.300 0.040 0.000 1.078 762 R HN 0.539 nan 8.270 nan 0.000 0.516 763 D N 1.035 121.441 120.400 0.009 0.000 2.443 763 D HA 0.074 4.713 4.640 -0.002 0.000 0.239 763 D C -0.147 176.172 176.300 0.032 0.000 1.136 763 D CA 0.655 54.607 54.000 -0.079 0.000 0.879 763 D CB 0.466 41.236 40.800 -0.051 0.000 1.195 763 D HN 0.022 nan 8.370 nan 0.000 0.443 764 F N -1.247 118.736 119.950 0.054 0.000 2.626 764 F HA 0.524 5.049 4.527 -0.002 0.000 0.311 764 F C -0.184 175.664 175.800 0.081 0.000 1.088 764 F CA -1.539 56.492 58.000 0.051 0.000 0.949 764 F CB 1.365 40.386 39.000 0.035 0.000 1.322 764 F HN 0.024 nan 8.300 nan 0.000 0.461 765 R N 1.724 122.417 120.500 0.321 0.000 2.297 765 R HA 0.292 4.631 4.340 -0.002 0.000 0.308 765 R C -1.660 174.877 176.300 0.394 0.000 1.029 765 R CA -0.628 55.633 56.100 0.269 0.000 0.929 765 R CB 0.703 31.093 30.300 0.150 0.000 1.046 765 R HN 0.892 nan 8.270 nan 0.000 0.461 766 Y N 3.595 124.061 120.300 0.277 0.000 2.486 766 Y HA 0.289 4.838 4.550 -0.002 0.000 0.348 766 Y C 0.640 176.611 175.900 0.119 0.000 1.000 766 Y CA 0.454 58.701 58.100 0.245 0.000 1.253 766 Y CB 1.217 39.822 38.460 0.241 0.000 1.140 766 Y HN 0.852 nan 8.280 nan 0.000 0.526 767 G N 4.239 112.899 108.800 -0.233 0.000 3.228 767 G HA2 0.366 4.325 3.960 -0.002 0.000 0.245 767 G HA3 0.366 4.325 3.960 -0.002 0.000 0.245 767 G C 0.161 174.910 174.900 -0.253 0.000 1.051 767 G CA 0.274 45.286 45.100 -0.146 0.000 0.809 767 G HN 0.838 nan 8.290 nan 0.000 0.531 768 A N 0.129 122.603 122.820 -0.577 0.000 2.332 768 A HA 0.592 4.911 4.320 -0.002 0.000 0.258 768 A C 0.217 177.701 177.584 -0.167 0.000 1.087 768 A CA -0.222 51.567 52.037 -0.414 0.000 0.802 768 A CB 0.838 19.510 19.000 -0.547 0.000 1.042 768 A HN 0.268 nan 8.150 nan 0.000 0.489 769 V N 3.185 123.061 119.914 -0.063 0.000 2.479 769 V HA 0.162 4.280 4.120 -0.002 0.000 0.281 769 V C -1.954 174.182 176.094 0.071 0.000 1.031 769 V CA -0.726 61.588 62.300 0.023 0.000 1.038 769 V CB 0.495 32.316 31.823 -0.003 0.000 0.981 769 V HN 0.746 nan 8.190 nan 0.000 0.478 770 P HA 0.140 nan 4.420 nan 0.000 0.265 770 P C 0.122 177.452 177.300 0.050 0.000 1.222 770 P CA 0.331 63.537 63.100 0.177 0.000 0.767 770 P CB 0.152 31.937 31.700 0.142 0.000 0.801 771 N N 2.401 121.114 118.700 0.022 0.000 2.377 771 N HA 0.090 4.829 4.740 -0.002 0.000 0.259 771 N C 0.744 176.236 175.510 -0.030 0.000 1.332 771 N CA -0.267 52.746 53.050 -0.061 0.000 0.877 771 N CB 0.287 38.685 38.487 -0.147 0.000 1.299 771 N HN 0.087 nan 8.380 nan 0.000 0.501 772 R N 0.110 120.611 120.500 0.001 0.000 2.123 772 R HA 0.254 4.592 4.340 -0.002 0.000 0.209 772 R C 1.988 178.279 176.300 -0.015 0.000 1.078 772 R CA 0.577 56.680 56.100 0.006 0.000 1.028 772 R CB -0.776 29.530 30.300 0.010 0.000 0.939 772 R HN 0.135 nan 8.270 nan 0.000 0.463 773 A N 1.071 123.876 122.820 -0.025 0.000 1.855 773 A HA -0.018 4.301 4.320 -0.002 0.000 0.215 773 A C 0.908 178.456 177.584 -0.059 0.000 1.191 773 A CA 1.214 53.222 52.037 -0.047 0.000 0.613 773 A CB 0.000 18.976 19.000 -0.041 0.000 0.829 773 A HN 0.053 nan 8.150 nan 0.000 0.442 774 V N 0.988 120.873 119.914 -0.049 0.000 2.315 774 V HA 0.278 4.397 4.120 -0.002 0.000 0.265 774 V C -2.927 173.132 176.094 -0.058 0.000 1.019 774 V CA -1.561 60.713 62.300 -0.044 0.000 0.824 774 V CB 0.840 32.644 31.823 -0.032 0.000 1.072 774 V HN 0.198 nan 8.190 nan 0.000 0.448 775 P HA 0.237 nan 4.420 nan 0.000 0.271 775 P C -0.517 176.669 177.300 -0.191 0.000 1.233 775 P CA 0.244 63.286 63.100 -0.097 0.000 0.764 775 P CB 1.005 32.787 31.700 0.136 0.000 0.825 776 V N 5.447 125.046 119.914 -0.525 0.000 2.540 776 V HA 0.509 4.628 4.120 -0.002 0.000 0.302 776 V C -0.455 175.121 176.094 -0.864 0.000 1.035 776 V CA -0.360 61.669 62.300 -0.452 0.000 0.873 776 V CB 1.108 32.754 31.823 -0.295 0.000 0.992 776 V HN 0.326 nan 8.190 nan 0.000 0.428 777 F N 3.266 123.184 119.950 -0.054 0.000 2.540 777 F HA 0.582 5.108 4.527 -0.002 0.000 0.317 777 F C -0.297 175.480 175.800 -0.038 0.000 1.104 777 F CA -0.744 57.264 58.000 0.013 0.000 0.913 777 F CB 1.577 40.591 39.000 0.023 0.000 1.170 777 F HN 0.285 nan 8.300 nan 0.000 0.450 778 F N 2.984 123.009 119.950 0.125 0.000 2.494 778 F HA 0.126 4.653 4.527 -0.001 0.000 0.369 778 F C 0.868 176.726 175.800 0.098 0.000 1.098 778 F CA -0.587 57.462 58.000 0.081 0.000 1.154 778 F CB -0.008 39.017 39.000 0.043 0.000 1.103 778 F HN 0.463 nan 8.300 nan 0.000 0.549 779 D N 0.569 121.074 120.400 0.175 0.000 2.369 779 D HA -0.032 4.607 4.640 -0.002 0.000 0.241 779 D C 1.355 177.728 176.300 0.122 0.000 1.271 779 D CA 0.012 54.086 54.000 0.123 0.000 0.942 779 D CB 0.179 41.019 40.800 0.067 0.000 1.129 779 D HN 0.530 nan 8.370 nan 0.000 0.476 780 T N -2.555 112.046 114.554 0.078 0.000 2.977 780 T HA -0.203 4.146 4.350 -0.002 0.000 0.271 780 T C 1.194 175.929 174.700 0.060 0.000 1.105 780 T CA 1.191 63.328 62.100 0.062 0.000 1.116 780 T CB -0.438 68.452 68.868 0.038 0.000 0.878 780 T HN 0.435 nan 8.240 nan 0.000 0.509 781 N N 0.907 119.644 118.700 0.062 0.000 2.270 781 N HA 0.238 4.977 4.740 -0.002 0.000 0.198 781 N C 1.284 176.844 175.510 0.083 0.000 1.117 781 N CA 0.582 53.666 53.050 0.056 0.000 0.845 781 N CB -0.348 38.161 38.487 0.037 0.000 0.980 781 N HN 0.583 nan 8.380 nan 0.000 0.486 782 G N -0.416 108.464 108.800 0.134 0.000 2.147 782 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.244 782 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.244 782 G C -0.419 174.630 174.900 0.247 0.000 1.005 782 G CA 0.499 45.737 45.100 0.231 0.000 0.713 782 G HN 0.212 nan 8.290 nan 0.000 0.515 783 V N 0.658 120.636 119.914 0.107 0.000 2.435 783 V HA 0.450 4.569 4.120 -0.002 0.000 0.290 783 V C 1.147 177.127 176.094 -0.190 0.000 1.030 783 V CA -1.030 61.259 62.300 -0.018 0.000 0.881 783 V CB 1.490 33.307 31.823 -0.010 0.000 0.983 783 V HN 0.428 nan 8.190 nan 0.000 0.445 784 R N 2.536 122.778 120.500 -0.431 0.000 2.504 784 R HA 0.247 4.586 4.340 -0.002 0.000 0.291 784 R C -0.171 175.999 176.300 -0.217 0.000 0.974 784 R CA 0.420 56.200 56.100 -0.533 0.000 1.077 784 R CB 0.059 30.055 30.300 -0.508 0.000 0.926 784 R HN 0.707 nan 8.270 nan 0.000 0.407 785 T N 2.497 116.977 114.554 -0.124 0.000 2.841 785 T HA 0.301 4.650 4.350 -0.002 0.000 0.285 785 T C -0.713 174.036 174.700 0.083 0.000 0.991 785 T CA -0.645 61.457 62.100 0.004 0.000 0.966 785 T CB 1.748 70.648 68.868 0.054 0.000 0.962 785 T HN 0.168 nan 8.240 nan 0.000 0.438 786 V N 6.309 126.263 119.914 0.067 0.000 2.313 786 V HA 0.293 4.412 4.120 -0.002 0.000 0.278 786 V C -1.508 174.648 176.094 0.103 0.000 1.017 786 V CA -1.366 60.995 62.300 0.101 0.000 0.823 786 V CB 1.211 33.074 31.823 0.066 0.000 1.010 786 V HN 0.753 nan 8.190 nan 0.000 0.443 787 P HA 0.207 nan 4.420 nan 0.000 0.235 787 P C 0.538 177.868 177.300 0.050 0.000 1.177 787 P CA 0.219 63.358 63.100 0.066 0.000 0.785 787 P CB 0.393 32.106 31.700 0.021 0.000 0.885 788 A N 2.156 125.015 122.820 0.065 0.000 2.407 788 A HA 0.447 4.766 4.320 -0.002 0.000 0.248 788 A C -1.941 175.654 177.584 0.019 0.000 1.082 788 A CA -1.042 51.014 52.037 0.032 0.000 0.785 788 A CB -0.781 18.233 19.000 0.025 0.000 1.020 788 A HN 0.065 nan 8.150 nan 0.000 0.489 789 P HA 0.342 nan 4.420 nan 0.000 0.271 789 P C -0.720 176.566 177.300 -0.023 0.000 1.216 789 P CA 0.374 63.474 63.100 -0.000 0.000 0.776 789 P CB 0.641 32.335 31.700 -0.011 0.000 0.881 790 M N 1.315 120.910 119.600 -0.008 0.000 2.531 790 M HA 0.305 4.784 4.480 -0.002 0.000 0.286 790 M C -0.520 175.747 176.300 -0.056 0.000 1.232 790 M CA -0.632 54.618 55.300 -0.083 0.000 0.877 790 M CB 3.135 35.677 32.600 -0.096 0.000 1.726 790 M HN 0.202 nan 8.290 nan 0.000 0.463 791 E N 2.121 122.214 120.200 -0.180 0.000 2.165 791 E HA 0.449 4.798 4.350 -0.002 0.000 0.266 791 E C -1.679 174.777 176.600 -0.240 0.000 0.889 791 E CA -0.222 56.123 56.400 -0.092 0.000 0.756 791 E CB 1.873 31.535 29.700 -0.063 0.000 1.131 791 E HN 0.424 nan 8.360 nan 0.000 0.411 792 F N 1.315 121.250 119.950 -0.025 0.000 2.361 792 F HA 0.135 4.661 4.527 -0.002 0.000 0.364 792 F C 1.667 177.457 175.800 -0.017 0.000 1.117 792 F CA -0.390 57.589 58.000 -0.034 0.000 1.071 792 F CB 1.432 40.410 39.000 -0.037 0.000 1.188 792 F HN 0.337 nan 8.300 nan 0.000 0.464 793 T N -0.838 113.774 114.554 0.098 0.000 3.014 793 T HA 0.258 4.607 4.350 -0.002 0.000 0.250 793 T C 1.019 175.764 174.700 0.076 0.000 1.060 793 T CA 0.129 62.283 62.100 0.090 0.000 1.040 793 T CB -0.064 68.861 68.868 0.095 0.000 0.971 793 T HN 0.547 nan 8.240 nan 0.000 0.497 794 G N 1.065 109.895 108.800 0.050 0.000 2.572 794 G HA2 0.428 4.387 3.960 -0.002 0.000 0.261 794 G HA3 0.428 4.387 3.960 -0.002 0.000 0.261 794 G C -0.925 174.006 174.900 0.052 0.000 1.197 794 G CA -0.647 44.471 45.100 0.029 0.000 0.870 794 G HN 0.228 nan 8.290 nan 0.000 0.548 795 D N -0.415 120.010 120.400 0.042 0.000 2.487 795 D HA 0.184 4.823 4.640 -0.002 0.000 0.243 795 D C -0.051 176.258 176.300 0.016 0.000 1.154 795 D CA 0.270 54.290 54.000 0.033 0.000 0.876 795 D CB 1.298 42.119 40.800 0.035 0.000 1.161 795 D HN -0.091 nan 8.370 nan 0.000 0.478 796 L N 1.877 123.098 121.223 -0.004 0.000 2.329 796 L HA 0.562 4.901 4.340 -0.002 0.000 0.279 796 L C 0.621 177.463 176.870 -0.046 0.000 1.014 796 L CA -0.543 54.269 54.840 -0.047 0.000 0.814 796 L CB 1.883 43.883 42.059 -0.098 0.000 1.257 796 L HN 0.382 nan 8.230 nan 0.000 0.424 797 G N 4.753 113.520 108.800 -0.054 0.000 2.478 797 G HA2 0.664 4.623 3.960 -0.002 0.000 0.317 797 G HA3 0.664 4.623 3.960 -0.002 0.000 0.317 797 G C -1.244 173.615 174.900 -0.069 0.000 1.259 797 G CA -0.385 44.687 45.100 -0.048 0.000 0.933 797 G HN 0.445 nan 8.290 nan 0.000 0.478 798 L N 2.006 123.187 121.223 -0.069 0.000 2.354 798 L HA 0.674 5.013 4.340 -0.002 0.000 0.269 798 L C 1.133 177.969 176.870 -0.056 0.000 1.005 798 L CA -1.044 53.748 54.840 -0.079 0.000 0.819 798 L CB 2.171 44.171 42.059 -0.099 0.000 1.311 798 L HN 0.665 nan 8.230 nan 0.000 0.423 799 G N -0.689 108.087 108.800 -0.041 0.000 3.086 799 G HA2 0.034 3.993 3.960 -0.002 0.000 0.159 799 G HA3 0.034 3.993 3.960 -0.002 0.000 0.159 799 G C -0.141 174.756 174.900 -0.004 0.000 1.654 799 G CA -0.213 44.881 45.100 -0.011 0.000 1.078 799 G HN 0.641 nan 8.290 nan 0.000 0.558 800 H N -0.317 118.726 119.070 -0.045 0.000 2.886 800 H HA 0.323 4.878 4.556 -0.001 0.000 0.329 800 H C -0.941 174.360 175.328 -0.045 0.000 1.044 800 H CA 0.249 56.272 56.048 -0.043 0.000 1.456 800 H CB 0.660 30.400 29.762 -0.037 0.000 1.464 800 H HN -0.026 nan 8.280 nan 0.000 0.573 801 V N 5.296 124.942 119.914 -0.446 0.000 2.531 801 V HA 0.178 4.297 4.120 -0.002 0.000 0.301 801 V C -0.082 175.857 176.094 -0.259 0.000 1.034 801 V CA -0.706 61.454 62.300 -0.235 0.000 0.865 801 V CB 2.101 33.819 31.823 -0.176 0.000 0.995 801 V HN 0.838 nan 8.190 nan 0.000 0.424 802 T N 5.972 120.484 114.554 -0.070 0.000 2.792 802 T HA 0.559 4.908 4.350 -0.002 0.000 0.280 802 T C -0.340 174.346 174.700 -0.023 0.000 0.990 802 T CA -0.314 61.773 62.100 -0.022 0.000 0.960 802 T CB 0.976 69.882 68.868 0.063 0.000 0.939 802 T HN 0.325 nan 8.240 nan 0.000 0.439 803 I N 4.288 124.843 120.570 -0.026 0.000 2.297 803 I HA 0.305 4.474 4.170 -0.002 0.000 0.291 803 I C 0.873 176.988 176.117 -0.004 0.000 1.033 803 I CA -0.538 60.752 61.300 -0.017 0.000 1.253 803 I CB 0.390 38.379 38.000 -0.018 0.000 1.396 803 I HN 0.421 nan 8.210 nan 0.000 0.476 804 R N 3.765 124.265 120.500 -0.000 0.000 2.560 804 R HA 0.530 4.869 4.340 -0.002 0.000 0.270 804 R C 0.176 176.478 176.300 0.004 0.000 1.074 804 R CA -0.635 55.467 56.100 0.004 0.000 1.140 804 R CB 0.918 31.221 30.300 0.005 0.000 1.073 804 R HN 0.685 nan 8.270 nan 0.000 0.527 805 A N 1.006 123.828 122.820 0.004 0.000 2.546 805 A HA 0.074 4.393 4.320 -0.002 0.000 0.243 805 A C 0.918 178.504 177.584 0.004 0.000 1.063 805 A CA 0.512 52.551 52.037 0.004 0.000 0.757 805 A CB 0.048 19.050 19.000 0.004 0.000 0.991 805 A HN 0.886 nan 8.150 nan 0.000 0.503 806 S N 0.453 116.156 115.700 0.004 0.000 2.617 806 S HA 0.227 4.696 4.470 -0.002 0.000 0.278 806 S C 0.366 174.969 174.600 0.004 0.000 1.082 806 S CA 0.532 58.734 58.200 0.004 0.000 1.228 806 S CB 0.222 63.425 63.200 0.005 0.000 1.130 806 S HN 0.702 nan 8.310 nan 0.000 0.621 807 T N 2.006 116.562 114.554 0.005 0.000 2.900 807 T HA 0.681 5.030 4.350 -0.002 0.000 0.295 807 T C -0.565 174.138 174.700 0.004 0.000 1.044 807 T CA 0.198 62.301 62.100 0.005 0.000 0.995 807 T CB 1.518 70.390 68.868 0.006 0.000 1.072 807 T HN 0.664 nan 8.240 nan 0.000 0.473 808 S N 2.553 118.256 115.700 0.005 0.000 3.578 808 S HA -0.209 4.260 4.470 -0.002 0.000 0.449 808 S C 0.641 175.243 174.600 0.003 0.000 0.853 808 S CA 0.680 58.883 58.200 0.004 0.000 1.348 808 S CB -1.824 61.378 63.200 0.004 0.000 0.907 808 S HN 1.458 nan 8.310 nan 0.000 0.627 809 S N 1.730 117.432 115.700 0.003 0.000 3.521 809 S HA -0.239 4.230 4.470 -0.002 0.000 0.362 809 S C 0.530 175.131 174.600 0.002 0.000 1.044 809 S CA 1.071 59.273 58.200 0.002 0.000 1.091 809 S CB -1.649 61.552 63.200 0.002 0.000 0.908 809 S HN 1.291 nan 8.310 nan 0.000 0.473 810 N N -1.697 117.004 118.700 0.002 0.000 2.714 810 N HA -0.226 4.513 4.740 -0.002 0.000 0.250 810 N C 0.524 176.035 175.510 0.002 0.000 1.117 810 N CA 1.091 54.142 53.050 0.002 0.000 0.719 810 N CB -1.546 36.942 38.487 0.001 0.000 1.081 810 N HN 0.756 nan 8.380 nan 0.000 0.557 811 I N -0.253 120.319 120.570 0.002 0.000 2.439 811 I HA -0.139 4.030 4.170 -0.002 0.000 0.251 811 I C 1.182 177.301 176.117 0.003 0.000 1.139 811 I CA 1.001 62.302 61.300 0.002 0.000 1.438 811 I CB 0.245 38.246 38.000 0.002 0.000 1.085 811 I HN 0.278 nan 8.210 nan 0.000 0.427 812 R N -0.264 120.238 120.500 0.003 0.000 2.771 812 R HA 0.513 4.852 4.340 -0.002 0.000 0.274 812 R C -0.722 175.581 176.300 0.004 0.000 0.987 812 R CA -0.650 55.452 56.100 0.004 0.000 0.908 812 R CB 1.223 31.525 30.300 0.004 0.000 1.213 812 R HN -0.009 nan 8.270 nan 0.000 0.468 813 S N 0.176 115.878 115.700 0.004 0.000 2.616 813 S HA 0.399 4.868 4.470 -0.002 0.000 0.277 813 S C -0.432 174.171 174.600 0.005 0.000 1.234 813 S CA -0.769 57.434 58.200 0.004 0.000 1.028 813 S CB 1.426 64.628 63.200 0.003 0.000 0.988 813 S HN 0.755 nan 8.310 nan 0.000 0.522 814 E N 0.636 120.839 120.200 0.005 0.000 2.304 814 E HA 0.531 4.880 4.350 -0.002 0.000 0.277 814 E C -2.070 174.534 176.600 0.007 0.000 0.898 814 E CA -0.780 55.624 56.400 0.007 0.000 0.764 814 E CB 1.825 31.529 29.700 0.008 0.000 1.216 814 E HN 0.536 nan 8.360 nan 0.000 0.419 815 V N 4.614 124.533 119.914 0.008 0.000 2.483 815 V HA 0.444 4.563 4.120 -0.002 0.000 0.297 815 V C -0.871 175.231 176.094 0.013 0.000 1.027 815 V CA -0.811 61.495 62.300 0.009 0.000 0.855 815 V CB 1.382 33.209 31.823 0.007 0.000 0.995 815 V HN 0.600 nan 8.190 nan 0.000 0.424 816 L N 5.595 126.827 121.223 0.016 0.000 2.329 816 L HA 0.644 4.983 4.340 -0.002 0.000 0.279 816 L C -0.098 176.785 176.870 0.023 0.000 1.014 816 L CA -0.195 54.657 54.840 0.020 0.000 0.814 816 L CB 1.767 43.838 42.059 0.020 0.000 1.257 816 L HN 0.565 nan 8.230 nan 0.000 0.424 817 M N 3.094 122.710 119.600 0.027 0.000 2.268 817 M HA 0.426 4.905 4.480 -0.002 0.000 0.344 817 M C -0.058 176.259 176.300 0.029 0.000 1.106 817 M CA -0.435 54.883 55.300 0.029 0.000 1.010 817 M CB 1.821 34.444 32.600 0.037 0.000 1.649 817 M HN 0.567 nan 8.290 nan 0.000 0.443 818 E N 0.915 121.128 120.200 0.022 0.000 2.803 818 E HA 0.784 5.133 4.350 -0.002 0.000 0.250 818 E C 0.250 176.854 176.600 0.006 0.000 1.102 818 E CA -0.473 55.939 56.400 0.020 0.000 1.017 818 E CB 1.196 30.909 29.700 0.021 0.000 1.346 818 E HN 0.864 nan 8.360 nan 0.000 0.532 819 G N 0.736 109.539 108.800 0.006 0.000 2.760 819 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.246 819 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.246 819 G C 0.501 175.415 174.900 0.023 0.000 1.359 819 G CA 0.284 45.377 45.100 -0.011 0.000 0.861 819 G HN 0.669 nan 8.290 nan 0.000 0.541 820 E N -1.048 119.173 120.200 0.036 0.000 2.077 820 E HA 0.004 4.353 4.350 -0.002 0.000 0.193 820 E C 0.903 177.636 176.600 0.223 0.000 0.989 820 E CA 1.822 58.301 56.400 0.133 0.000 0.800 820 E CB -0.036 29.783 29.700 0.199 0.000 0.746 820 E HN 0.892 nan 8.360 nan 0.000 0.452 821 Y N -2.893 117.439 120.300 0.052 0.000 2.597 821 Y HA 0.656 5.205 4.550 -0.002 0.000 0.340 821 Y C -0.335 175.617 175.900 0.087 0.000 1.097 821 Y CA -0.996 57.143 58.100 0.066 0.000 1.037 821 Y CB 0.941 39.442 38.460 0.068 0.000 1.305 821 Y HN -0.131 nan 8.280 nan 0.000 0.463 822 G N 1.328 110.260 108.800 0.221 0.000 2.400 822 G HA2 0.551 4.510 3.960 -0.002 0.000 0.333 822 G HA3 0.551 4.510 3.960 -0.002 0.000 0.333 822 G C -2.344 172.749 174.900 0.322 0.000 1.143 822 G CA -0.803 44.387 45.100 0.149 0.000 0.914 822 G HN 0.788 nan 8.290 nan 0.000 0.480 823 F N 2.105 122.104 119.950 0.082 0.000 2.536 823 F HA 0.634 5.160 4.527 -0.002 0.000 0.322 823 F C -0.775 175.077 175.800 0.087 0.000 1.144 823 F CA -1.075 57.000 58.000 0.125 0.000 0.924 823 F CB 1.469 40.553 39.000 0.139 0.000 1.181 823 F HN 0.242 nan 8.300 nan 0.000 0.438 824 I N 6.276 126.540 120.570 -0.509 0.000 2.354 824 I HA 0.616 4.785 4.170 -0.002 0.000 0.286 824 I C 0.190 175.844 176.117 -0.772 0.000 1.007 824 I CA -0.415 60.617 61.300 -0.446 0.000 1.167 824 I CB 1.278 39.216 38.000 -0.102 0.000 1.320 824 I HN 0.745 nan 8.210 nan 0.000 0.458 825 G N 4.482 112.843 108.800 -0.732 0.000 2.949 825 G HA2 0.659 4.618 3.960 -0.002 0.000 0.285 825 G HA3 0.659 4.618 3.960 -0.002 0.000 0.285 825 G C -1.681 173.130 174.900 -0.147 0.000 1.395 825 G CA -0.560 44.225 45.100 -0.526 0.000 0.901 825 G HN 0.355 nan 8.290 nan 0.000 0.519 826 K N 0.334 120.715 120.400 -0.031 0.000 2.463 826 K HA 0.560 4.879 4.320 -0.002 0.000 0.255 826 K C 0.406 177.022 176.600 0.026 0.000 0.942 826 K CA -0.441 55.831 56.287 -0.026 0.000 0.814 826 K CB 1.364 33.833 32.500 -0.052 0.000 1.122 826 K HN 0.750 nan 8.250 nan 0.000 0.425 827 S N 3.973 119.683 115.700 0.016 0.000 2.584 827 S HA 0.292 4.761 4.470 -0.002 0.000 0.270 827 S C 0.532 175.141 174.600 0.015 0.000 1.346 827 S CA -0.650 57.566 58.200 0.028 0.000 1.018 827 S CB 0.108 63.318 63.200 0.017 0.000 0.899 827 S HN 0.564 nan 8.310 nan 0.000 0.542 828 I N 2.861 123.445 120.570 0.022 0.000 2.505 828 I HA 0.182 4.351 4.170 -0.002 0.000 0.287 828 I C -1.968 174.152 176.117 0.004 0.000 1.104 828 I CA -1.741 59.568 61.300 0.014 0.000 1.387 828 I CB -0.077 37.935 38.000 0.020 0.000 1.404 828 I HN 0.494 nan 8.210 nan 0.000 0.528 829 P HA 0.059 nan 4.420 nan 0.000 0.269 829 P C 0.582 177.879 177.300 -0.005 0.000 1.209 829 P CA -0.043 63.051 63.100 -0.010 0.000 0.776 829 P CB 0.645 32.335 31.700 -0.017 0.000 0.876 830 T N -0.101 114.449 114.554 -0.006 0.000 2.732 830 T HA -0.089 4.260 4.350 -0.002 0.000 0.261 830 T C 1.007 175.705 174.700 -0.003 0.000 1.040 830 T CA 1.422 63.520 62.100 -0.003 0.000 1.145 830 T CB -0.399 68.467 68.868 -0.004 0.000 0.866 830 T HN 0.456 nan 8.240 nan 0.000 0.427 831 D N 0.688 121.084 120.400 -0.006 0.000 2.201 831 D HA 0.028 4.667 4.640 -0.002 0.000 0.209 831 D C 1.072 177.369 176.300 -0.005 0.000 0.961 831 D CA 0.684 54.681 54.000 -0.005 0.000 0.861 831 D CB -0.026 40.770 40.800 -0.007 0.000 0.997 831 D HN 0.358 nan 8.370 nan 0.000 0.486 832 N N 0.773 119.468 118.700 -0.007 0.000 2.791 832 N HA 0.095 4.834 4.740 -0.002 0.000 0.265 832 N C -2.097 173.409 175.510 -0.006 0.000 1.580 832 N CA -1.403 51.643 53.050 -0.006 0.000 0.809 832 N CB 1.613 40.094 38.487 -0.009 0.000 1.178 832 N HN -0.218 nan 8.380 nan 0.000 0.499 833 P HA -0.099 nan 4.420 nan 0.000 0.219 833 P C 1.138 178.443 177.300 0.007 0.000 1.146 833 P CA 0.763 63.864 63.100 0.002 0.000 0.808 833 P CB 0.202 31.906 31.700 0.007 0.000 0.779 834 A N 0.143 122.969 122.820 0.011 0.000 2.178 834 A HA 0.012 4.331 4.320 -0.002 0.000 0.218 834 A C 2.293 179.890 177.584 0.023 0.000 1.157 834 A CA 1.604 53.654 52.037 0.021 0.000 0.689 834 A CB -1.514 17.498 19.000 0.021 0.000 0.787 834 A HN 0.341 nan 8.150 nan 0.000 0.465 835 G N -1.471 107.329 108.800 -0.001 0.000 3.088 835 G HA2 0.150 4.109 3.960 -0.002 0.000 0.217 835 G HA3 0.150 4.109 3.960 -0.002 0.000 0.217 835 G C 0.595 175.453 174.900 -0.070 0.000 1.159 835 G CA 0.103 45.186 45.100 -0.029 0.000 0.760 835 G HN 0.586 nan 8.290 nan 0.000 0.550 836 Q N 1.398 121.172 119.800 -0.044 0.000 2.320 836 Q HA 0.145 4.484 4.340 -0.002 0.000 0.311 836 Q C 0.283 176.214 176.000 -0.115 0.000 1.083 836 Q CA 0.402 56.169 55.803 -0.060 0.000 1.001 836 Q CB 0.134 28.862 28.738 -0.016 0.000 1.074 836 Q HN 0.611 nan 8.270 nan 0.000 0.379 837 R N 2.971 123.369 120.500 -0.170 0.000 2.765 837 R HA 0.482 4.821 4.340 -0.002 0.000 0.277 837 R C -1.653 174.499 176.300 -0.248 0.000 1.028 837 R CA -0.872 55.072 56.100 -0.259 0.000 0.860 837 R CB 0.720 30.696 30.300 -0.541 0.000 1.270 837 R HN 0.478 nan 8.270 nan 0.000 0.484 838 I N 1.944 122.352 120.570 -0.271 0.000 2.498 838 I HA 0.422 4.590 4.170 -0.002 0.000 0.290 838 I C -0.328 175.510 176.117 -0.466 0.000 1.032 838 I CA -1.146 59.909 61.300 -0.408 0.000 1.073 838 I CB 2.174 39.855 38.000 -0.532 0.000 1.251 838 I HN 0.429 nan 8.210 nan 0.000 0.426 839 I N 5.856 126.146 120.570 -0.468 0.000 2.321 839 I HA 0.305 4.474 4.170 -0.002 0.000 0.291 839 I C -0.847 175.001 176.117 -0.448 0.000 0.998 839 I CA -0.290 60.813 61.300 -0.327 0.000 1.227 839 I CB 0.727 38.609 38.000 -0.196 0.000 1.368 839 I HN 0.297 nan 8.210 nan 0.000 0.466 840 F N 5.634 125.556 119.950 -0.046 0.000 2.420 840 F HA 0.498 5.024 4.527 -0.002 0.000 0.342 840 F C 0.181 175.972 175.800 -0.016 0.000 1.113 840 F CA -0.567 57.414 58.000 -0.032 0.000 1.059 840 F CB 1.472 40.457 39.000 -0.025 0.000 1.128 840 F HN 0.368 nan 8.300 nan 0.000 0.475 841 C N 2.125 121.507 119.300 0.136 0.000 2.609 841 C HA 0.640 5.099 4.460 -0.002 0.000 0.313 841 C C 1.258 176.287 174.990 0.065 0.000 1.175 841 C CA -0.385 58.680 59.018 0.079 0.000 1.434 841 C CB 0.801 28.559 27.740 0.031 0.000 2.005 841 C HN 1.032 nan 8.230 nan 0.000 0.471 842 G N 2.825 111.656 108.800 0.051 0.000 2.848 842 G HA2 0.418 4.377 3.960 -0.002 0.000 0.208 842 G HA3 0.418 4.377 3.960 -0.002 0.000 0.208 842 G C 0.625 175.538 174.900 0.022 0.000 1.152 842 G CA 0.834 45.954 45.100 0.033 0.000 0.789 842 G HN 1.176 nan 8.290 nan 0.000 0.531 843 G N -0.513 108.300 108.800 0.022 0.000 3.013 843 G HA2 0.471 4.430 3.960 -0.002 0.000 0.278 843 G HA3 0.471 4.430 3.960 -0.002 0.000 0.278 843 G C 0.537 175.445 174.900 0.013 0.000 1.353 843 G CA 0.155 45.264 45.100 0.015 0.000 1.043 843 G HN 0.194 nan 8.290 nan 0.000 0.523 844 E N -1.479 118.728 120.200 0.011 0.000 2.371 844 E HA 0.280 4.629 4.350 -0.002 0.000 0.194 844 E C 0.942 177.548 176.600 0.010 0.000 1.012 844 E CA 0.430 56.837 56.400 0.012 0.000 0.860 844 E CB 0.270 29.977 29.700 0.011 0.000 0.811 844 E HN 0.529 nan 8.360 nan 0.000 0.502 845 G N 0.085 108.889 108.800 0.006 0.000 2.733 845 G HA2 0.279 4.238 3.960 -0.002 0.000 0.288 845 G HA3 0.279 4.238 3.960 -0.002 0.000 0.288 845 G C 0.511 175.407 174.900 -0.006 0.000 1.373 845 G CA -0.027 45.074 45.100 0.001 0.000 0.895 845 G HN 0.038 nan 8.290 nan 0.000 0.479 846 T N -2.313 112.233 114.554 -0.013 0.000 2.962 846 T HA 0.018 4.367 4.350 -0.002 0.000 0.270 846 T C 1.543 176.236 174.700 -0.011 0.000 1.088 846 T CA 1.199 63.285 62.100 -0.022 0.000 1.127 846 T CB -0.128 68.721 68.868 -0.031 0.000 0.883 846 T HN 0.630 nan 8.240 nan 0.000 0.493 847 S N 1.770 117.468 115.700 -0.003 0.000 2.531 847 S HA 0.239 4.708 4.470 -0.002 0.000 0.279 847 S C 1.607 176.214 174.600 0.011 0.000 1.305 847 S CA -0.079 58.124 58.200 0.005 0.000 1.058 847 S CB 0.614 63.817 63.200 0.005 0.000 0.899 847 S HN 0.582 nan 8.310 nan 0.000 0.493 848 S N 3.669 119.381 115.700 0.020 0.000 2.465 848 S HA -0.109 4.360 4.470 -0.002 0.000 0.241 848 S C 1.705 176.318 174.600 0.022 0.000 1.000 848 S CA 1.477 59.694 58.200 0.028 0.000 0.964 848 S CB -0.863 62.362 63.200 0.042 0.000 0.763 848 S HN 0.768 nan 8.310 nan 0.000 0.512 849 T N 2.588 117.152 114.554 0.017 0.000 2.803 849 T HA -0.099 4.250 4.350 -0.002 0.000 0.269 849 T C 2.054 176.760 174.700 0.010 0.000 1.052 849 T CA 1.943 64.050 62.100 0.013 0.000 1.136 849 T CB -0.791 68.083 68.868 0.011 0.000 0.864 849 T HN 0.915 nan 8.240 nan 0.000 0.467 850 T N -1.827 112.733 114.554 0.010 0.000 3.067 850 T HA 0.453 4.801 4.350 -0.002 0.000 0.257 850 T C 0.851 175.556 174.700 0.010 0.000 1.105 850 T CA 0.491 62.596 62.100 0.008 0.000 1.104 850 T CB 0.296 69.169 68.868 0.008 0.000 0.925 850 T HN 0.457 nan 8.240 nan 0.000 0.498 851 G N -0.001 108.807 108.800 0.013 0.000 2.368 851 G HA2 0.537 4.496 3.960 -0.002 0.000 0.293 851 G HA3 0.537 4.496 3.960 -0.002 0.000 0.293 851 G C -1.075 173.838 174.900 0.021 0.000 1.467 851 G CA -0.600 44.509 45.100 0.014 0.000 0.804 851 G HN 0.479 nan 8.290 nan 0.000 0.535 852 A N -0.201 122.630 122.820 0.018 0.000 2.498 852 A HA 0.602 4.921 4.320 -0.002 0.000 0.239 852 A C 0.371 177.993 177.584 0.064 0.000 1.068 852 A CA 0.514 52.569 52.037 0.030 0.000 0.766 852 A CB 0.212 19.218 19.000 0.010 0.000 1.003 852 A HN 0.674 nan 8.150 nan 0.000 0.497 853 Q N 0.283 120.140 119.800 0.094 0.000 2.423 853 Q HA 0.687 5.026 4.340 -0.002 0.000 0.278 853 Q C -1.462 174.630 176.000 0.153 0.000 1.097 853 Q CA -0.476 55.395 55.803 0.113 0.000 0.809 853 Q CB 2.563 31.351 28.738 0.083 0.000 1.391 853 Q HN 0.704 nan 8.270 nan 0.000 0.428 854 I N 1.014 121.686 120.570 0.171 0.000 2.466 854 I HA 0.365 4.534 4.170 -0.002 0.000 0.289 854 I C -0.770 175.451 176.117 0.172 0.000 1.026 854 I CA -0.515 60.865 61.300 0.134 0.000 1.078 854 I CB 2.397 40.468 38.000 0.117 0.000 1.249 854 I HN 0.458 nan 8.210 nan 0.000 0.429 855 T N 7.061 121.664 114.554 0.081 0.000 2.786 855 T HA 0.550 4.899 4.350 -0.002 0.000 0.283 855 T C -0.291 174.478 174.700 0.114 0.000 0.992 855 T CA -0.460 61.675 62.100 0.060 0.000 0.954 855 T CB 0.824 69.712 68.868 0.033 0.000 0.934 855 T HN 0.260 nan 8.240 nan 0.000 0.440 856 L N 4.047 125.331 121.223 0.101 0.000 2.265 856 L HA 0.480 4.819 4.340 -0.002 0.000 0.289 856 L C -0.606 176.316 176.870 0.086 0.000 1.033 856 L CA -1.011 53.915 54.840 0.144 0.000 0.814 856 L CB 0.497 42.657 42.059 0.169 0.000 1.203 856 L HN 0.636 nan 8.230 nan 0.000 0.423 857 Y N 1.296 121.588 120.300 -0.013 0.000 2.304 857 Y HA 0.378 4.927 4.550 -0.002 0.000 0.328 857 Y C 1.276 177.178 175.900 0.003 0.000 1.123 857 Y CA -0.473 57.620 58.100 -0.012 0.000 1.218 857 Y CB 1.489 39.940 38.460 -0.015 0.000 1.207 857 Y HN 0.668 nan 8.280 nan 0.000 0.495 858 G N 0.777 109.639 108.800 0.104 0.000 2.634 858 G HA2 0.281 4.240 3.960 -0.002 0.000 0.255 858 G HA3 0.281 4.240 3.960 -0.002 0.000 0.255 858 G C 0.816 175.771 174.900 0.092 0.000 1.205 858 G CA -0.070 45.079 45.100 0.082 0.000 0.884 858 G HN 0.882 nan 8.290 nan 0.000 0.549 859 A N 0.457 123.319 122.820 0.071 0.000 2.070 859 A HA -0.086 4.233 4.320 -0.002 0.000 0.220 859 A C 2.072 179.686 177.584 0.050 0.000 1.159 859 A CA 1.727 53.798 52.037 0.057 0.000 0.656 859 A CB -0.347 18.681 19.000 0.046 0.000 0.800 859 A HN 0.673 nan 8.150 nan 0.000 0.453 860 N N 0.035 118.763 118.700 0.048 0.000 2.446 860 N HA -0.026 4.713 4.740 -0.002 0.000 0.179 860 N C 0.677 176.214 175.510 0.045 0.000 1.054 860 N CA -0.029 53.044 53.050 0.038 0.000 0.905 860 N CB -0.069 38.436 38.487 0.029 0.000 0.973 860 N HN 0.422 nan 8.380 nan 0.000 0.448 861 N N 0.740 119.481 118.700 0.068 0.000 2.441 861 N HA -0.039 4.700 4.740 -0.002 0.000 0.251 861 N C 0.644 176.207 175.510 0.088 0.000 1.242 861 N CA 0.507 53.615 53.050 0.097 0.000 0.898 861 N CB 0.750 39.350 38.487 0.188 0.000 1.100 861 N HN 0.048 nan 8.380 nan 0.000 0.443 862 T N 1.102 115.705 114.554 0.081 0.000 2.685 862 T HA -0.169 4.180 4.350 -0.002 0.000 0.268 862 T C -0.079 174.647 174.700 0.044 0.000 1.034 862 T CA 1.291 63.424 62.100 0.056 0.000 1.149 862 T CB -0.129 68.770 68.868 0.052 0.000 0.860 862 T HN 0.536 nan 8.240 nan 0.000 0.449 863 D N 2.108 122.548 120.400 0.066 0.000 2.500 863 D HA 0.262 4.901 4.640 -0.002 0.000 0.219 863 D C -0.473 175.825 176.300 -0.003 0.000 1.137 863 D CA 0.045 54.027 54.000 -0.030 0.000 0.946 863 D CB 0.757 41.438 40.800 -0.199 0.000 1.022 863 D HN 0.093 nan 8.370 nan 0.000 0.518 864 S N 1.796 117.502 115.700 0.010 0.000 2.498 864 S HA -0.000 4.469 4.470 -0.002 0.000 0.281 864 S C 0.927 175.542 174.600 0.025 0.000 1.265 864 S CA -0.130 58.092 58.200 0.037 0.000 1.071 864 S CB 0.030 63.245 63.200 0.025 0.000 0.894 864 S HN 0.459 nan 8.310 nan 0.000 0.491 865 R N 0.816 121.358 120.500 0.070 0.000 3.770 865 R HA -0.180 4.159 4.340 -0.002 0.000 0.305 865 R C 0.200 176.511 176.300 0.017 0.000 1.184 865 R CA 0.771 56.908 56.100 0.062 0.000 0.823 865 R CB -1.655 28.669 30.300 0.038 0.000 1.285 865 R HN 0.724 nan 8.270 nan 0.000 0.499 866 R N 1.451 121.918 120.500 -0.054 0.000 2.594 866 R HA 0.343 4.682 4.340 -0.002 0.000 0.272 866 R C -0.144 176.101 176.300 -0.092 0.000 1.074 866 R CA 0.078 56.045 56.100 -0.222 0.000 1.105 866 R CB 0.534 30.433 30.300 -0.668 0.000 1.008 866 R HN 0.180 nan 8.270 nan 0.000 0.472 867 I N 4.156 124.662 120.570 -0.106 0.000 2.433 867 I HA 0.265 4.434 4.170 -0.002 0.000 0.292 867 I C -0.786 175.190 176.117 -0.235 0.000 1.001 867 I CA -1.087 60.121 61.300 -0.153 0.000 1.119 867 I CB 2.187 40.013 38.000 -0.290 0.000 1.289 867 I HN 0.302 nan 8.210 nan 0.000 0.438 868 V N 6.631 126.446 119.914 -0.165 0.000 2.384 868 V HA 0.349 4.468 4.120 -0.002 0.000 0.287 868 V C -0.967 175.042 176.094 -0.141 0.000 1.020 868 V CA -0.671 61.583 62.300 -0.076 0.000 0.850 868 V CB 1.107 32.982 31.823 0.085 0.000 0.987 868 V HN 0.419 nan 8.190 nan 0.000 0.436 869 Y N 3.215 123.585 120.300 0.118 0.000 2.353 869 Y HA 0.441 4.990 4.550 -0.002 0.000 0.340 869 Y C 0.478 176.553 175.900 0.291 0.000 0.972 869 Y CA -0.374 57.828 58.100 0.170 0.000 1.157 869 Y CB 1.023 39.519 38.460 0.060 0.000 1.157 869 Y HN 0.654 nan 8.280 nan 0.000 0.495 870 N N 2.559 121.503 118.700 0.407 0.000 2.576 870 N HA 0.640 5.379 4.740 -0.002 0.000 0.269 870 N C -0.774 174.837 175.510 0.168 0.000 1.058 870 N CA -0.274 52.950 53.050 0.290 0.000 0.860 870 N CB 0.790 39.381 38.487 0.173 0.000 1.249 870 N HN 0.900 nan 8.380 nan 0.000 0.525 871 G N 1.131 109.939 108.800 0.014 0.000 2.682 871 G HA2 0.163 4.122 3.960 -0.002 0.000 0.290 871 G HA3 0.163 4.122 3.960 -0.002 0.000 0.290 871 G C -0.505 174.269 174.900 -0.211 0.000 1.425 871 G CA -0.375 44.624 45.100 -0.167 0.000 0.807 871 G HN 0.430 nan 8.290 nan 0.000 0.482 872 D N -0.272 120.037 120.400 -0.152 0.000 2.349 872 D HA 0.172 4.811 4.640 -0.002 0.000 0.215 872 D C 0.312 176.536 176.300 -0.127 0.000 1.016 872 D CA 0.859 54.798 54.000 -0.101 0.000 0.870 872 D CB 0.678 41.447 40.800 -0.052 0.000 0.917 872 D HN 0.478 nan 8.370 nan 0.000 0.524 873 E N -0.378 119.687 120.200 -0.225 0.000 2.321 873 E HA 0.233 4.582 4.350 -0.002 0.000 0.278 873 E C -0.925 175.469 176.600 -0.343 0.000 0.902 873 E CA -0.635 55.653 56.400 -0.187 0.000 0.758 873 E CB 2.023 31.661 29.700 -0.103 0.000 1.213 873 E HN 0.054 nan 8.360 nan 0.000 0.426 874 H N 2.866 121.937 119.070 0.001 0.000 2.792 874 H HA 0.337 4.892 4.556 -0.002 0.000 0.298 874 H C -0.824 174.462 175.328 -0.070 0.000 1.042 874 H CA -0.390 55.626 56.048 -0.054 0.000 1.300 874 H CB 0.614 30.409 29.762 0.055 0.000 1.431 874 H HN 0.283 nan 8.280 nan 0.000 0.496 875 L N 4.180 125.340 121.223 -0.105 0.000 2.294 875 L HA 0.326 4.665 4.340 -0.002 0.000 0.283 875 L C -0.478 176.266 176.870 -0.210 0.000 1.015 875 L CA -0.672 54.127 54.840 -0.069 0.000 0.831 875 L CB 0.811 42.837 42.059 -0.056 0.000 1.217 875 L HN 0.322 nan 8.230 nan 0.000 0.420 876 F N 2.329 122.278 119.950 -0.001 0.000 2.390 876 F HA 0.342 4.868 4.527 -0.002 0.000 0.361 876 F C 0.588 176.381 175.800 -0.012 0.000 1.124 876 F CA -0.125 57.868 58.000 -0.012 0.000 1.149 876 F CB 1.075 40.057 39.000 -0.030 0.000 1.160 876 F HN 0.482 nan 8.300 nan 0.000 0.501 877 Q N 1.571 121.426 119.800 0.091 0.000 2.266 877 Q HA 0.417 4.756 4.340 -0.002 0.000 0.261 877 Q C 0.536 176.573 176.000 0.062 0.000 0.985 877 Q CA -0.147 55.688 55.803 0.054 0.000 0.873 877 Q CB 1.438 30.182 28.738 0.009 0.000 1.306 877 Q HN 0.820 nan 8.270 nan 0.000 0.447 878 S N -0.507 115.220 115.700 0.045 0.000 2.524 878 S HA -0.232 4.237 4.470 -0.002 0.000 0.254 878 S C -0.488 174.134 174.600 0.036 0.000 1.258 878 S CA 1.011 59.231 58.200 0.034 0.000 1.448 878 S CB -1.407 61.810 63.200 0.028 0.000 1.806 878 S HN 0.983 nan 8.310 nan 0.000 0.630 879 A N 0.400 123.251 122.820 0.051 0.000 2.612 879 A HA 0.609 4.928 4.320 -0.002 0.000 0.293 879 A C -1.398 176.201 177.584 0.026 0.000 1.075 879 A CA -0.709 51.349 52.037 0.035 0.000 0.680 879 A CB 0.830 19.853 19.000 0.038 0.000 1.279 879 A HN 0.092 nan 8.150 nan 0.000 0.411 880 D N 0.448 120.845 120.400 -0.005 0.000 2.419 880 D HA 0.287 4.926 4.640 -0.002 0.000 0.236 880 D C -0.040 176.215 176.300 -0.076 0.000 1.165 880 D CA 0.366 54.344 54.000 -0.037 0.000 0.882 880 D CB 0.821 41.596 40.800 -0.042 0.000 1.201 880 D HN 0.185 nan 8.370 nan 0.000 0.443 881 V N 2.905 122.727 119.914 -0.153 0.000 2.368 881 V HA 0.180 4.299 4.120 -0.002 0.000 0.266 881 V C 0.558 176.541 176.094 -0.186 0.000 1.045 881 V CA -0.156 61.978 62.300 -0.277 0.000 0.899 881 V CB 0.333 31.852 31.823 -0.505 0.000 1.006 881 V HN 0.304 nan 8.190 nan 0.000 0.470 882 K N 5.292 125.613 120.400 -0.131 0.000 2.395 882 K HA 0.660 4.979 4.320 -0.002 0.000 0.247 882 K C -2.551 174.023 176.600 -0.044 0.000 0.973 882 K CA -1.652 54.588 56.287 -0.078 0.000 0.828 882 K CB 2.209 34.675 32.500 -0.057 0.000 1.272 882 K HN 0.446 nan 8.250 nan 0.000 0.439 883 P HA 0.087 nan 4.420 nan 0.000 0.276 883 P C 0.011 177.350 177.300 0.065 0.000 1.244 883 P CA -0.337 62.782 63.100 0.033 0.000 0.801 883 P CB 0.602 32.317 31.700 0.026 0.000 1.006 884 Y N 1.924 122.218 120.300 -0.011 0.000 2.220 884 Y HA -0.092 4.457 4.550 -0.002 0.000 0.291 884 Y C 0.656 176.553 175.900 -0.005 0.000 1.129 884 Y CA 1.221 59.318 58.100 -0.004 0.000 1.161 884 Y CB 0.033 38.496 38.460 0.005 0.000 0.997 884 Y HN 0.413 nan 8.280 nan 0.000 0.522 885 N N 0.092 118.898 118.700 0.177 0.000 2.485 885 N HA 0.151 4.890 4.740 -0.002 0.000 0.280 885 N C -1.646 173.878 175.510 0.024 0.000 1.205 885 N CA -0.640 52.459 53.050 0.082 0.000 0.959 885 N CB 0.745 39.315 38.487 0.137 0.000 1.206 885 N HN 0.025 nan 8.380 nan 0.000 0.545 886 D N 0.151 120.553 120.400 0.005 0.000 2.249 886 D HA 0.186 4.825 4.640 -0.002 0.000 0.246 886 D C -0.513 175.790 176.300 0.005 0.000 1.114 886 D CA -0.071 53.926 54.000 -0.006 0.000 0.854 886 D CB 0.213 41.002 40.800 -0.018 0.000 1.132 886 D HN 0.502 nan 8.370 nan 0.000 0.461 887 N N 2.921 121.622 118.700 0.003 0.000 2.725 887 N HA -0.185 4.554 4.740 -0.002 0.000 0.251 887 N C -0.372 175.145 175.510 0.012 0.000 1.031 887 N CA 0.981 54.035 53.050 0.005 0.000 0.720 887 N CB -0.899 37.589 38.487 0.001 0.000 0.930 887 N HN 0.238 nan 8.380 nan 0.000 0.543 888 V N -1.916 118.009 119.914 0.019 0.000 3.137 888 V HA 0.203 4.322 4.120 -0.002 0.000 0.236 888 V C 1.033 177.142 176.094 0.024 0.000 1.260 888 V CA 1.327 63.642 62.300 0.024 0.000 1.244 888 V CB 0.664 32.509 31.823 0.037 0.000 1.016 888 V HN 0.617 nan 8.190 nan 0.000 0.477 889 T N -0.711 113.859 114.554 0.028 0.000 2.940 889 T HA 0.859 5.208 4.350 -0.002 0.000 0.288 889 T C -0.379 174.335 174.700 0.024 0.000 1.033 889 T CA -0.131 61.985 62.100 0.027 0.000 1.033 889 T CB 2.412 71.301 68.868 0.035 0.000 1.079 889 T HN 0.362 nan 8.240 nan 0.000 0.496 890 A N 1.448 124.284 122.820 0.027 0.000 2.313 890 A HA 0.796 5.115 4.320 -0.002 0.000 0.323 890 A C -0.524 177.095 177.584 0.058 0.000 1.133 890 A CA -1.105 50.952 52.037 0.034 0.000 0.847 890 A CB 0.775 19.793 19.000 0.030 0.000 1.308 890 A HN 0.888 nan 8.150 nan 0.000 0.475 891 L N 1.800 123.074 121.223 0.085 0.000 2.257 891 L HA 0.556 4.895 4.340 -0.002 0.000 0.290 891 L C 0.973 177.976 176.870 0.223 0.000 1.044 891 L CA 0.792 55.744 54.840 0.187 0.000 0.810 891 L CB 0.551 42.699 42.059 0.149 0.000 1.193 891 L HN 1.333 nan 8.230 nan 0.000 0.425 892 G N 2.687 111.589 108.800 0.170 0.000 2.741 892 G HA2 0.152 4.111 3.960 -0.002 0.000 0.222 892 G HA3 0.152 4.111 3.960 -0.002 0.000 0.222 892 G C -0.309 174.566 174.900 -0.042 0.000 1.364 892 G CA -0.482 44.582 45.100 -0.061 0.000 0.866 892 G HN 1.062 nan 8.290 nan 0.000 0.555 893 G N -2.086 106.670 108.800 -0.075 0.000 2.623 893 G HA2 0.827 4.786 3.960 -0.002 0.000 0.290 893 G HA3 0.827 4.786 3.960 -0.002 0.000 0.290 893 G C -1.530 173.342 174.900 -0.046 0.000 1.437 893 G CA 0.423 45.496 45.100 -0.045 0.000 0.798 893 G HN 0.742 nan 8.290 nan 0.000 0.488 894 P HA -0.023 nan 4.420 nan 0.000 0.219 894 P C 1.203 178.483 177.300 -0.033 0.000 1.146 894 P CA 1.163 64.248 63.100 -0.025 0.000 0.808 894 P CB 0.361 32.051 31.700 -0.017 0.000 0.779 895 S N -1.116 114.559 115.700 -0.042 0.000 2.557 895 S HA 0.145 4.614 4.470 -0.002 0.000 0.223 895 S C 0.316 174.875 174.600 -0.068 0.000 0.969 895 S CA -0.189 57.984 58.200 -0.045 0.000 0.927 895 S CB -0.328 62.849 63.200 -0.037 0.000 0.806 895 S HN 0.201 nan 8.310 nan 0.000 0.489 896 N N 1.642 120.284 118.700 -0.096 0.000 2.687 896 N HA 0.237 4.976 4.740 -0.002 0.000 0.275 896 N C -0.961 174.410 175.510 -0.232 0.000 1.789 896 N CA -0.323 52.630 53.050 -0.162 0.000 0.806 896 N CB 0.785 39.165 38.487 -0.179 0.000 1.256 896 N HN 0.058 nan 8.380 nan 0.000 0.500 897 R N 0.325 120.731 120.500 -0.157 0.000 2.390 897 R HA 0.355 4.694 4.340 -0.002 0.000 0.291 897 R C -0.369 175.843 176.300 -0.147 0.000 1.070 897 R CA -0.344 55.688 56.100 -0.113 0.000 1.014 897 R CB 0.850 31.133 30.300 -0.028 0.000 1.007 897 R HN 0.198 nan 8.270 nan 0.000 0.466 898 F N 0.468 120.424 119.950 0.010 0.000 2.418 898 F HA -0.018 4.508 4.527 -0.002 0.000 0.341 898 F C 2.120 177.930 175.800 0.017 0.000 1.120 898 F CA 0.116 58.128 58.000 0.020 0.000 1.232 898 F CB 1.114 40.125 39.000 0.018 0.000 1.175 898 F HN 0.647 nan 8.300 nan 0.000 0.569 899 T N -2.213 112.481 114.554 0.234 0.000 2.821 899 T HA -0.030 4.319 4.350 -0.002 0.000 0.267 899 T C 0.715 175.465 174.700 0.082 0.000 1.046 899 T CA 1.417 63.593 62.100 0.127 0.000 1.139 899 T CB -0.084 68.856 68.868 0.121 0.000 0.871 899 T HN 0.682 nan 8.240 nan 0.000 0.454 900 T N -0.601 114.004 114.554 0.084 0.000 2.658 900 T HA 0.564 4.913 4.350 -0.002 0.000 0.305 900 T C -2.330 172.343 174.700 -0.046 0.000 1.551 900 T CA -0.279 61.803 62.100 -0.031 0.000 0.985 900 T CB 0.985 69.749 68.868 -0.174 0.000 1.731 900 T HN 0.651 nan 8.240 nan 0.000 0.486 901 A N 1.303 124.043 122.820 -0.134 0.000 2.359 901 A HA 0.731 5.050 4.320 -0.002 0.000 0.303 901 A C -1.838 175.655 177.584 -0.152 0.000 1.066 901 A CA -0.462 51.512 52.037 -0.104 0.000 0.730 901 A CB 0.691 19.632 19.000 -0.098 0.000 1.211 901 A HN 0.679 nan 8.150 nan 0.000 0.439 902 Y N 2.551 122.821 120.300 -0.050 0.000 2.452 902 Y HA 0.518 5.067 4.550 -0.002 0.000 0.348 902 Y C 0.145 176.022 175.900 -0.038 0.000 0.985 902 Y CA 0.175 58.255 58.100 -0.033 0.000 1.214 902 Y CB 0.727 39.173 38.460 -0.023 0.000 1.136 902 Y HN 0.505 nan 8.280 nan 0.000 0.523 903 L N 1.280 122.543 121.223 0.067 0.000 2.341 903 L HA 0.565 4.904 4.340 -0.002 0.000 0.267 903 L C 1.179 178.068 176.870 0.032 0.000 1.009 903 L CA -0.821 54.036 54.840 0.030 0.000 0.819 903 L CB 2.114 44.168 42.059 -0.008 0.000 1.323 903 L HN 0.727 nan 8.230 nan 0.000 0.425 904 G N 0.002 108.814 108.800 0.020 0.000 2.880 904 G HA2 0.140 4.099 3.960 -0.002 0.000 0.209 904 G HA3 0.140 4.099 3.960 -0.002 0.000 0.209 904 G C 0.319 175.222 174.900 0.006 0.000 1.157 904 G CA 0.688 45.797 45.100 0.016 0.000 0.779 904 G HN 0.602 nan 8.290 nan 0.000 0.539 905 S N -0.975 114.725 115.700 -0.001 0.000 2.588 905 S HA 0.392 4.861 4.470 -0.002 0.000 0.269 905 S C -1.058 173.534 174.600 -0.012 0.000 1.157 905 S CA -1.046 57.150 58.200 -0.006 0.000 0.824 905 S CB 1.271 64.467 63.200 -0.007 0.000 1.126 905 S HN -0.037 nan 8.310 nan 0.000 0.464 906 N N 1.985 120.677 118.700 -0.014 0.000 2.395 906 N HA 0.288 5.027 4.740 -0.002 0.000 0.246 906 N C -2.457 173.042 175.510 -0.018 0.000 1.246 906 N CA -0.494 52.546 53.050 -0.017 0.000 0.879 906 N CB -0.528 37.949 38.487 -0.015 0.000 1.098 906 N HN 0.506 nan 8.380 nan 0.000 0.444 907 P HA 0.085 nan 4.420 nan 0.000 0.266 907 P C -0.178 177.112 177.300 -0.018 0.000 1.193 907 P CA 0.280 63.367 63.100 -0.021 0.000 0.770 907 P CB 0.476 32.163 31.700 -0.022 0.000 0.836 908 I N 2.590 123.149 120.570 -0.018 0.000 2.291 908 I HA 0.180 4.349 4.170 -0.002 0.000 0.292 908 I C 0.204 176.312 176.117 -0.015 0.000 1.064 908 I CA -0.545 60.746 61.300 -0.016 0.000 1.269 908 I CB 0.919 38.909 38.000 -0.016 0.000 1.418 908 I HN 0.065 nan 8.210 nan 0.000 0.485 909 V N 6.764 126.671 119.914 -0.012 0.000 2.435 909 V HA 0.611 4.730 4.120 -0.002 0.000 0.290 909 V C -0.141 175.948 176.094 -0.009 0.000 1.030 909 V CA 0.389 62.682 62.300 -0.011 0.000 0.881 909 V CB 1.895 33.713 31.823 -0.009 0.000 0.983 909 V HN 0.816 nan 8.190 nan 0.000 0.445 910 T N 0.000 114.549 114.554 -0.009 0.000 3.816 910 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 910 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658