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 3ihy_1_A DATA FIRST_RESID -1 DATA SEQUENCE MXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXSDHDLKP NAATRDQLNI DATA SEQUENCE IVSYPPTKQL TYEEQDLVWK FRYYLTNQEK ALTKFLKCVN WDLPQEAKQA DATA SEQUENCE LELLGKWKPM DVEDSLELLS SHYTNPTVRR YAVARLRQAD DEDLLMYLLQ DATA SEQUENCE LVQALKYENF DDIKNGLXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXLEQDLCTF LISRACKNST LANYLYWYVI DATA SEQUENCE VECEDQDTQQ RDPKTHEMYL NVMRRFSQAL LKGDKSVRVM RSLLAAQQTF DATA SEQUENCE VDRLVHLMKA VQRESGNRKK KNERLQALLG DNEKMNLSDV ELIPLPLEPQ DATA SEQUENCE VKIRGIIPET ATLFKSALMP AQLFFKTEDG GKYPVIFKHG DDLRQDQLIL DATA SEQUENCE QIISLMDKLL RKENLDLKLT PYKVLATSTK HGFMQFIQSV PVAEVLDTEG DATA SEQUENCE SIQNFFRKYA PSENGPNGIS AEVMDTYVKS CAGYCVITYI LGVGDRHLDN DATA SEQUENCE LLLTKTGKLF HIDFGYILGR DPKPLPPPMK LNKEMVEGMG GTQSEQYQEF DATA SEQUENCE RKQCYTAFLH LRRYSNLILN LFSLMVDANI PDIALEPDKT VKKVQDKFRL DATA SEQUENCE DLSDEEAVHY MQSLIDESVH ALF 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 -1 M HA 0.000 nan 4.480 nan 0.000 0.227 -1 M C 0.000 176.243 176.300 -0.094 0.000 1.140 -1 M CA 0.000 55.261 55.300 -0.065 0.000 0.988 -1 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 283 D N 0.998 121.106 120.400 -0.486 0.000 2.289 283 D HA 0.108 4.748 4.640 -0.001 0.000 0.207 283 D C 1.494 177.447 176.300 -0.578 0.000 0.966 283 D CA 0.753 54.450 54.000 -0.503 0.000 0.868 283 D CB -0.068 40.437 40.800 -0.491 0.000 0.943 283 D HN 0.598 nan 8.370 nan 0.000 0.514 284 H N 0.365 119.111 119.070 -0.540 0.000 2.387 284 H HA -0.042 4.513 4.556 -0.001 0.000 0.299 284 H C 0.700 175.875 175.328 -0.254 0.000 1.090 284 H CA 1.171 56.851 56.048 -0.613 0.000 1.332 284 H CB -0.052 29.413 29.762 -0.495 0.000 1.386 284 H HN 0.231 nan 8.280 nan 0.000 0.516 285 D N -0.053 120.300 120.400 -0.078 0.000 2.402 285 D HA 0.117 4.756 4.640 -0.001 0.000 0.216 285 D C -0.150 176.139 176.300 -0.019 0.000 1.128 285 D CA -0.224 53.761 54.000 -0.026 0.000 0.833 285 D CB 0.327 41.111 40.800 -0.026 0.000 0.971 285 D HN -0.041 nan 8.370 nan 0.000 0.503 286 L N 1.269 122.468 121.223 -0.039 0.000 2.529 286 L HA 0.063 4.402 4.340 -0.001 0.000 0.287 286 L C 0.234 177.147 176.870 0.071 0.000 1.241 286 L CA 1.014 55.847 54.840 -0.011 0.000 0.857 286 L CB 0.267 42.263 42.059 -0.104 0.000 1.113 286 L HN -0.132 nan 8.230 nan 0.000 0.504 287 K N 4.142 124.580 120.400 0.064 0.000 2.613 287 K HA 0.396 4.715 4.320 -0.001 0.000 0.248 287 K C -2.396 174.159 176.600 -0.075 0.000 0.959 287 K CA -1.455 54.783 56.287 -0.081 0.000 0.855 287 K CB 1.675 34.126 32.500 -0.083 0.000 1.143 287 K HN 0.366 nan 8.250 nan 0.000 0.437 288 P HA 0.028 nan 4.420 nan 0.000 0.275 288 P C -0.933 176.180 177.300 -0.312 0.000 1.228 288 P CA -0.458 62.353 63.100 -0.482 0.000 0.786 288 P CB 0.534 31.584 31.700 -1.082 0.000 0.927 289 N N 0.657 119.242 118.700 -0.191 0.000 2.317 289 N HA 0.145 4.884 4.740 -0.001 0.000 0.245 289 N C 1.251 176.670 175.510 -0.151 0.000 1.294 289 N CA -0.109 52.862 53.050 -0.132 0.000 0.924 289 N CB -0.561 37.882 38.487 -0.074 0.000 1.186 289 N HN 0.367 nan 8.380 nan 0.000 0.495 290 A N -0.570 122.189 122.820 -0.102 0.000 1.972 290 A HA -0.036 4.283 4.320 -0.001 0.000 0.219 290 A C 2.151 179.684 177.584 -0.084 0.000 1.169 290 A CA 1.978 53.963 52.037 -0.087 0.000 0.635 290 A CB -1.502 17.463 19.000 -0.058 0.000 0.810 290 A HN 0.849 nan 8.150 nan 0.000 0.446 291 A N -0.396 122.377 122.820 -0.077 0.000 1.897 291 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 291 A C 2.352 179.886 177.584 -0.084 0.000 1.181 291 A CA 2.197 54.196 52.037 -0.064 0.000 0.620 291 A CB -1.180 17.794 19.000 -0.043 0.000 0.821 291 A HN 0.693 nan 8.150 nan 0.000 0.443 292 T N -2.814 111.665 114.554 -0.125 0.000 3.055 292 T HA 0.017 4.367 4.350 -0.001 0.000 0.265 292 T C 1.827 176.384 174.700 -0.239 0.000 1.111 292 T CA 0.945 62.937 62.100 -0.180 0.000 1.118 292 T CB -0.154 68.567 68.868 -0.245 0.000 0.909 292 T HN 0.438 nan 8.240 nan 0.000 0.501 293 R N 1.009 121.380 120.500 -0.215 0.000 2.115 293 R HA -0.038 4.301 4.340 -0.001 0.000 0.226 293 R C 1.170 177.417 176.300 -0.088 0.000 1.100 293 R CA 1.331 57.331 56.100 -0.166 0.000 0.980 293 R CB -0.050 30.161 30.300 -0.148 0.000 0.875 293 R HN 0.316 nan 8.270 nan 0.000 0.445 294 D N -0.362 119.990 120.400 -0.081 0.000 2.249 294 D HA -0.098 4.542 4.640 -0.001 0.000 0.205 294 D C 1.575 177.837 176.300 -0.065 0.000 0.962 294 D CA 0.639 54.603 54.000 -0.060 0.000 0.860 294 D CB 0.031 40.803 40.800 -0.048 0.000 0.955 294 D HN 0.237 nan 8.370 nan 0.000 0.505 295 Q N -0.005 119.753 119.800 -0.071 0.000 2.119 295 Q HA -0.007 4.333 4.340 -0.001 0.000 0.201 295 Q C 2.076 178.028 176.000 -0.080 0.000 0.972 295 Q CA 0.688 56.454 55.803 -0.062 0.000 0.847 295 Q CB 0.091 28.801 28.738 -0.046 0.000 0.903 295 Q HN 0.264 nan 8.270 nan 0.000 0.433 296 L N 0.413 121.588 121.223 -0.081 0.000 2.109 296 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 296 L C 1.762 178.590 176.870 -0.069 0.000 1.086 296 L CA 0.525 55.331 54.840 -0.057 0.000 0.760 296 L CB -0.283 41.764 42.059 -0.021 0.000 0.910 296 L HN 0.218 nan 8.230 nan 0.000 0.437 297 N N -0.085 118.576 118.700 -0.065 0.000 2.381 297 N HA -0.100 4.639 4.740 -0.001 0.000 0.182 297 N C 1.748 177.189 175.510 -0.115 0.000 1.025 297 N CA 0.955 53.964 53.050 -0.068 0.000 0.888 297 N CB 0.098 38.558 38.487 -0.046 0.000 0.965 297 N HN 0.243 nan 8.380 nan 0.000 0.438 298 I N 1.241 121.717 120.570 -0.157 0.000 2.235 298 I HA -0.081 4.088 4.170 -0.001 0.000 0.241 298 I C 2.139 177.931 176.117 -0.542 0.000 1.085 298 I CA 0.600 61.759 61.300 -0.235 0.000 1.378 298 I CB -0.621 37.279 38.000 -0.167 0.000 1.076 298 I HN 0.007 nan 8.210 nan 0.000 0.415 299 I N 0.227 120.440 120.570 -0.595 0.000 2.194 299 I HA -0.299 3.870 4.170 -0.001 0.000 0.246 299 I C 2.604 178.458 176.117 -0.439 0.000 1.093 299 I CA 1.149 61.979 61.300 -0.784 0.000 1.355 299 I CB -0.419 37.404 38.000 -0.296 0.000 1.046 299 I HN 0.010 nan 8.210 nan 0.000 0.413 300 V N 0.782 120.568 119.914 -0.214 0.000 2.407 300 V HA -0.212 3.907 4.120 -0.001 0.000 0.248 300 V C 2.044 178.098 176.094 -0.067 0.000 1.055 300 V CA 2.220 64.472 62.300 -0.082 0.000 1.049 300 V CB -0.371 31.431 31.823 -0.035 0.000 0.662 300 V HN 0.592 nan 8.190 nan 0.000 0.455 301 S N -2.094 113.542 115.700 -0.106 0.000 2.622 301 S HA 0.220 4.690 4.470 -0.001 0.000 0.236 301 S C 0.152 174.782 174.600 0.051 0.000 0.956 301 S CA -0.472 57.706 58.200 -0.037 0.000 0.971 301 S CB -0.364 62.808 63.200 -0.047 0.000 0.782 301 S HN 0.385 nan 8.310 nan 0.000 0.468 302 Y N 3.746 124.042 120.300 -0.007 0.000 2.397 302 Y HA 0.365 4.915 4.550 -0.001 0.000 0.335 302 Y C -1.895 173.997 175.900 -0.014 0.000 1.213 302 Y CA -2.968 55.127 58.100 -0.009 0.000 1.391 302 Y CB -0.218 38.244 38.460 0.003 0.000 1.293 302 Y HN 0.164 nan 8.280 nan 0.000 0.557 303 P HA -0.041 nan 4.420 nan 0.000 0.269 303 P C -2.052 175.289 177.300 0.068 0.000 1.211 303 P CA -0.898 62.236 63.100 0.056 0.000 0.781 303 P CB 0.379 32.087 31.700 0.014 0.000 0.877 304 P HA -0.097 nan 4.420 nan 0.000 0.223 304 P C 1.100 178.432 177.300 0.054 0.000 1.151 304 P CA 1.537 64.672 63.100 0.059 0.000 0.787 304 P CB -0.504 31.222 31.700 0.042 0.000 0.788 305 T N -4.108 110.464 114.554 0.030 0.000 3.169 305 T HA 0.104 4.453 4.350 -0.001 0.000 0.250 305 T C 0.695 175.391 174.700 -0.006 0.000 1.111 305 T CA -0.182 61.928 62.100 0.018 0.000 1.010 305 T CB -0.384 68.488 68.868 0.007 0.000 0.984 305 T HN 0.004 nan 8.240 nan 0.000 0.537 306 K N 2.359 122.746 120.400 -0.020 0.000 2.253 306 K HA 0.188 4.508 4.320 -0.001 0.000 0.277 306 K C -0.111 176.461 176.600 -0.047 0.000 1.053 306 K CA -0.632 55.600 56.287 -0.093 0.000 0.892 306 K CB 0.549 32.894 32.500 -0.258 0.000 1.102 306 K HN 0.188 nan 8.250 nan 0.000 0.469 307 Q N 3.111 122.873 119.800 -0.062 0.000 2.332 307 Q HA 0.090 4.430 4.340 -0.001 0.000 0.263 307 Q C -0.204 175.770 176.000 -0.044 0.000 0.979 307 Q CA -0.307 55.464 55.803 -0.053 0.000 0.885 307 Q CB 0.616 29.300 28.738 -0.090 0.000 1.218 307 Q HN 0.382 nan 8.270 nan 0.000 0.405 308 L N 1.895 123.121 121.223 0.006 0.000 2.395 308 L HA 0.213 4.552 4.340 -0.001 0.000 0.269 308 L C 1.014 177.876 176.870 -0.014 0.000 1.133 308 L CA -0.015 54.862 54.840 0.062 0.000 0.812 308 L CB 0.447 42.572 42.059 0.111 0.000 1.125 308 L HN 0.679 nan 8.230 nan 0.000 0.452 309 T N -1.514 113.052 114.554 0.019 0.000 2.860 309 T HA 0.091 4.440 4.350 -0.001 0.000 0.299 309 T C 1.297 176.018 174.700 0.035 0.000 1.045 309 T CA -0.126 61.963 62.100 -0.018 0.000 1.071 309 T CB 0.248 69.138 68.868 0.036 0.000 0.985 309 T HN 0.337 nan 8.240 nan 0.000 0.537 310 Y N 0.527 120.834 120.300 0.011 0.000 2.139 310 Y HA -0.163 4.387 4.550 -0.001 0.000 0.282 310 Y C 2.720 178.636 175.900 0.026 0.000 1.179 310 Y CA 1.937 60.039 58.100 0.002 0.000 1.161 310 Y CB -0.489 37.965 38.460 -0.011 0.000 0.970 310 Y HN 0.842 nan 8.280 nan 0.000 0.511 311 E N 0.733 121.054 120.200 0.203 0.000 2.110 311 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 311 E C 1.736 178.423 176.600 0.144 0.000 0.988 311 E CA 1.469 57.956 56.400 0.145 0.000 0.804 311 E CB -0.038 29.730 29.700 0.114 0.000 0.745 311 E HN 0.636 nan 8.360 nan 0.000 0.458 312 E N 0.191 120.476 120.200 0.141 0.000 2.072 312 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 312 E C 2.338 179.037 176.600 0.165 0.000 0.985 312 E CA 1.034 57.520 56.400 0.144 0.000 0.801 312 E CB -0.037 29.752 29.700 0.149 0.000 0.750 312 E HN 0.384 nan 8.360 nan 0.000 0.452 313 Q N 0.689 120.584 119.800 0.158 0.000 2.096 313 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 313 Q C 1.683 177.823 176.000 0.233 0.000 0.982 313 Q CA 1.457 57.359 55.803 0.166 0.000 0.850 313 Q CB -0.234 28.572 28.738 0.113 0.000 0.901 313 Q HN 0.210 nan 8.270 nan 0.000 0.422 314 D N 0.570 121.095 120.400 0.208 0.000 2.178 314 D HA -0.136 4.503 4.640 -0.001 0.000 0.201 314 D C 1.660 178.130 176.300 0.284 0.000 0.980 314 D CA 0.527 54.666 54.000 0.232 0.000 0.842 314 D CB 0.042 40.936 40.800 0.156 0.000 0.948 314 D HN 0.076 nan 8.370 nan 0.000 0.472 315 L N -0.508 120.874 121.223 0.265 0.000 2.095 315 L HA -0.017 4.323 4.340 -0.001 0.000 0.204 315 L C 2.165 179.266 176.870 0.385 0.000 1.080 315 L CA 1.007 56.038 54.840 0.319 0.000 0.759 315 L CB -0.346 41.853 42.059 0.233 0.000 0.914 315 L HN -0.063 nan 8.230 nan 0.000 0.439 316 V N -0.892 119.223 119.914 0.334 0.000 2.261 316 V HA -0.322 3.798 4.120 -0.001 0.000 0.246 316 V C 2.183 178.544 176.094 0.445 0.000 1.047 316 V CA 2.264 64.788 62.300 0.373 0.000 1.015 316 V CB -0.955 31.077 31.823 0.347 0.000 0.642 316 V HN 0.705 nan 8.190 nan 0.000 0.446 317 W N 1.534 122.998 121.300 0.272 0.000 2.354 317 W HA -0.274 4.385 4.660 -0.001 0.000 0.315 317 W C 2.585 179.210 176.519 0.178 0.000 1.206 317 W CA 2.401 59.899 57.345 0.256 0.000 1.290 317 W CB -0.208 29.328 29.460 0.127 0.000 1.152 317 W HN 0.269 nan 8.180 nan 0.000 0.489 318 K N -0.027 120.449 120.400 0.126 0.000 2.034 318 K HA -0.256 4.063 4.320 -0.001 0.000 0.214 318 K C 1.459 177.861 176.600 -0.329 0.000 1.051 318 K CA 2.181 58.385 56.287 -0.139 0.000 0.931 318 K CB -0.889 31.562 32.500 -0.080 0.000 0.715 318 K HN 0.079 nan 8.250 nan 0.000 0.446 319 F N 1.616 121.570 119.950 0.007 0.000 2.660 319 F HA 0.235 4.762 4.527 -0.001 0.000 0.297 319 F C 1.490 177.285 175.800 -0.008 0.000 1.132 319 F CA -0.398 57.624 58.000 0.036 0.000 1.372 319 F CB 0.215 39.283 39.000 0.114 0.000 1.003 319 F HN 0.089 nan 8.300 nan 0.000 0.524 320 R N -0.648 119.817 120.500 -0.059 0.000 2.113 320 R HA -0.280 4.060 4.340 -0.001 0.000 0.244 320 R C 1.189 177.167 176.300 -0.536 0.000 1.142 320 R CA 2.244 58.149 56.100 -0.324 0.000 0.953 320 R CB -1.353 28.567 30.300 -0.633 0.000 0.860 320 R HN 0.288 nan 8.270 nan 0.000 0.438 321 Y N -0.220 119.886 120.300 -0.322 0.000 2.242 321 Y HA -0.192 4.357 4.550 -0.001 0.000 0.291 321 Y C 2.458 178.218 175.900 -0.234 0.000 1.137 321 Y CA 1.398 59.315 58.100 -0.305 0.000 1.181 321 Y CB -0.539 37.819 38.460 -0.169 0.000 0.989 321 Y HN 0.130 nan 8.280 nan 0.000 0.527 322 Y N 0.217 120.499 120.300 -0.029 0.000 2.333 322 Y HA -0.161 4.388 4.550 -0.001 0.000 0.290 322 Y C 1.543 177.360 175.900 -0.137 0.000 1.144 322 Y CA 1.230 59.312 58.100 -0.030 0.000 1.228 322 Y CB -0.448 38.078 38.460 0.111 0.000 0.985 322 Y HN 0.078 nan 8.280 nan 0.000 0.542 323 L N 0.044 121.021 121.223 -0.410 0.000 2.591 323 L HA -0.027 4.313 4.340 -0.001 0.000 0.228 323 L C 2.233 178.671 176.870 -0.719 0.000 1.133 323 L CA 0.956 55.532 54.840 -0.440 0.000 0.880 323 L CB -0.602 41.456 42.059 -0.002 0.000 1.033 323 L HN 0.326 nan 8.230 nan 0.000 0.450 324 T N -4.340 109.515 114.554 -1.165 0.000 3.007 324 T HA -0.096 4.254 4.350 -0.001 0.000 0.270 324 T C 1.473 175.683 174.700 -0.818 0.000 1.107 324 T CA 1.001 62.093 62.100 -1.679 0.000 1.118 324 T CB -0.229 67.877 68.868 -1.270 0.000 0.889 324 T HN 0.173 nan 8.240 nan 0.000 0.506 325 N N 1.504 119.905 118.700 -0.498 0.000 2.494 325 N HA 0.073 4.812 4.740 -0.001 0.000 0.182 325 N C 0.288 175.707 175.510 -0.153 0.000 1.076 325 N CA 0.447 53.335 53.050 -0.271 0.000 0.908 325 N CB -0.011 38.328 38.487 -0.247 0.000 0.967 325 N HN 0.651 nan 8.380 nan 0.000 0.449 326 Q N 0.843 120.572 119.800 -0.118 0.000 2.431 326 Q HA 0.075 4.415 4.340 -0.001 0.000 0.249 326 Q C 0.566 176.716 176.000 0.249 0.000 1.025 326 Q CA -0.428 55.392 55.803 0.028 0.000 0.835 326 Q CB 1.113 29.840 28.738 -0.017 0.000 1.207 326 Q HN 0.282 nan 8.270 nan 0.000 0.490 327 E N 2.992 123.307 120.200 0.191 0.000 2.130 327 E HA -0.249 4.101 4.350 -0.001 0.000 0.196 327 E C 0.719 177.390 176.600 0.118 0.000 0.998 327 E CA 1.386 57.912 56.400 0.209 0.000 0.806 327 E CB 0.041 29.817 29.700 0.125 0.000 0.738 327 E HN 0.313 nan 8.360 nan 0.000 0.459 328 K N 0.644 121.093 120.400 0.081 0.000 2.211 328 K HA 0.067 4.386 4.320 -0.001 0.000 0.203 328 K C 2.086 178.712 176.600 0.043 0.000 1.050 328 K CA 1.050 57.360 56.287 0.039 0.000 0.945 328 K CB -0.270 32.241 32.500 0.019 0.000 0.732 328 K HN 0.285 nan 8.250 nan 0.000 0.451 329 A N 1.211 124.102 122.820 0.119 0.000 2.067 329 A HA -0.110 4.209 4.320 -0.001 0.000 0.219 329 A C 2.044 179.620 177.584 -0.013 0.000 1.158 329 A CA 0.711 52.842 52.037 0.157 0.000 0.661 329 A CB -0.305 18.887 19.000 0.320 0.000 0.801 329 A HN 0.204 nan 8.150 nan 0.000 0.452 330 L N -0.256 120.771 121.223 -0.326 0.000 2.046 330 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 330 L C 2.478 179.107 176.870 -0.401 0.000 1.077 330 L CA 2.827 57.076 54.840 -0.986 0.000 0.747 330 L CB -1.245 40.096 42.059 -1.197 0.000 0.896 330 L HN 0.391 nan 8.230 nan 0.000 0.432 331 T N -1.431 113.013 114.554 -0.185 0.000 2.788 331 T HA -0.149 4.200 4.350 -0.001 0.000 0.268 331 T C 1.912 176.637 174.700 0.042 0.000 1.044 331 T CA 1.299 63.365 62.100 -0.056 0.000 1.139 331 T CB -0.149 68.708 68.868 -0.018 0.000 0.867 331 T HN 0.268 nan 8.240 nan 0.000 0.454 332 K N 0.596 121.027 120.400 0.051 0.000 2.148 332 K HA 0.029 4.348 4.320 -0.001 0.000 0.204 332 K C 1.833 178.517 176.600 0.140 0.000 1.050 332 K CA 0.785 57.138 56.287 0.109 0.000 0.942 332 K CB -0.865 31.705 32.500 0.117 0.000 0.724 332 K HN 0.533 nan 8.250 nan 0.000 0.446 333 F N 1.643 121.565 119.950 -0.047 0.000 2.206 333 F HA -0.011 4.515 4.527 -0.001 0.000 0.298 333 F C 1.755 177.573 175.800 0.029 0.000 1.090 333 F CA 0.850 58.846 58.000 -0.007 0.000 1.323 333 F CB -0.193 38.700 39.000 -0.180 0.000 1.028 333 F HN -0.162 nan 8.300 nan 0.000 0.492 334 L N 0.235 121.403 121.223 -0.092 0.000 2.191 334 L HA -0.180 4.160 4.340 -0.001 0.000 0.212 334 L C 2.107 179.062 176.870 0.142 0.000 1.103 334 L CA 1.237 56.099 54.840 0.037 0.000 0.769 334 L CB -0.661 41.546 42.059 0.246 0.000 0.908 334 L HN 0.089 nan 8.230 nan 0.000 0.438 335 K N -0.850 119.605 120.400 0.092 0.000 2.432 335 K HA -0.038 4.282 4.320 -0.001 0.000 0.196 335 K C 1.943 178.493 176.600 -0.084 0.000 1.038 335 K CA 0.656 56.969 56.287 0.043 0.000 0.986 335 K CB -0.073 32.468 32.500 0.068 0.000 0.782 335 K HN 0.371 nan 8.250 nan 0.000 0.485 336 C N 0.548 119.747 119.300 -0.169 0.000 2.495 336 C HA 0.092 4.552 4.460 -0.001 0.000 0.275 336 C C 1.026 175.770 174.990 -0.410 0.000 1.392 336 C CA -0.538 58.362 59.018 -0.197 0.000 1.766 336 C CB -0.174 27.526 27.740 -0.066 0.000 1.933 336 C HN 0.028 nan 8.230 nan 0.000 0.519 337 V N 4.276 123.801 119.914 -0.648 0.000 2.555 337 V HA 0.165 4.284 4.120 -0.001 0.000 0.286 337 V C -0.233 175.242 176.094 -1.032 0.000 1.044 337 V CA 0.060 61.763 62.300 -0.994 0.000 1.026 337 V CB 0.407 31.352 31.823 -1.463 0.000 0.981 337 V HN 0.567 nan 8.190 nan 0.000 0.480 338 N N 4.118 122.340 118.700 -0.798 0.000 2.527 338 N HA 0.148 4.888 4.740 -0.001 0.000 0.236 338 N C -0.042 175.202 175.510 -0.443 0.000 0.999 338 N CA -0.853 51.883 53.050 -0.524 0.000 0.935 338 N CB 0.367 38.664 38.487 -0.317 0.000 1.132 338 N HN 0.724 nan 8.380 nan 0.000 0.511 339 W N 0.681 121.919 121.300 -0.103 0.000 2.611 339 W HA 0.003 4.663 4.660 -0.001 0.000 0.251 339 W C 0.728 177.211 176.519 -0.059 0.000 1.265 339 W CA -0.135 57.167 57.345 -0.072 0.000 1.295 339 W CB 0.085 29.514 29.460 -0.053 0.000 1.129 339 W HN 0.344 nan 8.180 nan 0.000 0.630 340 D N 0.301 120.747 120.400 0.078 0.000 2.117 340 D HA -0.061 4.579 4.640 -0.001 0.000 0.198 340 D C 0.877 177.178 176.300 0.003 0.000 0.982 340 D CA 0.757 54.778 54.000 0.035 0.000 0.828 340 D CB -0.470 40.330 40.800 -0.000 0.000 0.967 340 D HN 0.064 nan 8.370 nan 0.000 0.464 341 L N 2.328 123.522 121.223 -0.049 0.000 2.410 341 L HA 0.074 4.414 4.340 -0.001 0.000 0.273 341 L C -1.365 175.484 176.870 -0.034 0.000 1.144 341 L CA -1.044 53.756 54.840 -0.067 0.000 0.863 341 L CB 1.314 43.291 42.059 -0.137 0.000 1.140 341 L HN -0.074 nan 8.230 nan 0.000 0.463 342 P HA -0.048 nan 4.420 nan 0.000 0.234 342 P C 0.633 177.951 177.300 0.030 0.000 1.175 342 P CA 0.535 63.651 63.100 0.027 0.000 0.801 342 P CB 0.443 32.160 31.700 0.028 0.000 0.891 343 Q N 0.709 120.513 119.800 0.007 0.000 2.089 343 Q HA -0.086 4.254 4.340 -0.001 0.000 0.195 343 Q C 2.108 178.138 176.000 0.050 0.000 0.963 343 Q CA 1.479 57.300 55.803 0.030 0.000 0.834 343 Q CB -0.224 28.526 28.738 0.019 0.000 0.906 343 Q HN 0.580 nan 8.270 nan 0.000 0.452 344 E N 0.017 120.207 120.200 -0.017 0.000 2.250 344 E HA 0.111 4.460 4.350 -0.001 0.000 0.192 344 E C 1.897 178.489 176.600 -0.013 0.000 0.986 344 E CA 0.690 57.089 56.400 -0.001 0.000 0.849 344 E CB -0.138 29.389 29.700 -0.288 0.000 0.797 344 E HN 0.144 nan 8.360 nan 0.000 0.482 345 A N 2.462 125.234 122.820 -0.079 0.000 1.883 345 A HA -0.255 4.065 4.320 -0.001 0.000 0.217 345 A C 2.237 179.921 177.584 0.167 0.000 1.186 345 A CA 1.990 54.031 52.037 0.007 0.000 0.624 345 A CB -0.584 18.487 19.000 0.118 0.000 0.822 345 A HN 0.241 nan 8.150 nan 0.000 0.444 346 K N -0.682 119.801 120.400 0.139 0.000 2.032 346 K HA -0.235 4.085 4.320 -0.001 0.000 0.209 346 K C 2.287 178.996 176.600 0.181 0.000 1.048 346 K CA 1.893 58.270 56.287 0.150 0.000 0.927 346 K CB -0.217 32.352 32.500 0.115 0.000 0.712 346 K HN 0.597 nan 8.250 nan 0.000 0.441 347 Q N -0.559 119.367 119.800 0.210 0.000 2.230 347 Q HA -0.091 4.249 4.340 -0.001 0.000 0.202 347 Q C 1.800 178.000 176.000 0.334 0.000 0.963 347 Q CA 0.958 56.923 55.803 0.271 0.000 0.866 347 Q CB -0.004 28.942 28.738 0.346 0.000 0.931 347 Q HN 0.468 nan 8.270 nan 0.000 0.452 348 A N 0.879 123.910 122.820 0.352 0.000 1.845 348 A HA -0.163 4.157 4.320 -0.001 0.000 0.215 348 A C 1.971 179.779 177.584 0.373 0.000 1.195 348 A CA 1.099 53.387 52.037 0.418 0.000 0.616 348 A CB -0.787 18.290 19.000 0.128 0.000 0.832 348 A HN 0.412 nan 8.150 nan 0.000 0.443 349 L N -0.868 120.537 121.223 0.303 0.000 2.191 349 L HA -0.193 4.147 4.340 -0.001 0.000 0.212 349 L C 2.529 179.503 176.870 0.172 0.000 1.103 349 L CA 1.572 56.546 54.840 0.223 0.000 0.769 349 L CB -0.620 41.557 42.059 0.197 0.000 0.908 349 L HN 0.559 nan 8.230 nan 0.000 0.438 350 E N 0.354 120.663 120.200 0.180 0.000 2.007 350 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 350 E C 2.274 178.952 176.600 0.131 0.000 0.999 350 E CA 0.995 57.483 56.400 0.147 0.000 0.811 350 E CB 0.081 29.873 29.700 0.153 0.000 0.762 350 E HN 0.193 nan 8.360 nan 0.000 0.450 351 L N 0.783 122.089 121.223 0.138 0.000 2.043 351 L HA -0.201 4.139 4.340 -0.001 0.000 0.212 351 L C 2.539 179.536 176.870 0.212 0.000 1.075 351 L CA 1.240 56.126 54.840 0.078 0.000 0.752 351 L CB -1.225 40.820 42.059 -0.024 0.000 0.891 351 L HN 0.330 nan 8.230 nan 0.000 0.432 352 L N 0.345 121.690 121.223 0.204 0.000 1.997 352 L HA -0.188 4.151 4.340 -0.001 0.000 0.216 352 L C 2.422 179.321 176.870 0.048 0.000 1.074 352 L CA 2.345 57.199 54.840 0.023 0.000 0.763 352 L CB -1.228 40.763 42.059 -0.113 0.000 0.890 352 L HN 0.285 nan 8.230 nan 0.000 0.434 353 G N -1.180 107.680 108.800 0.099 0.000 2.422 353 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.218 353 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.218 353 G C 1.532 176.510 174.900 0.130 0.000 1.146 353 G CA 0.671 45.852 45.100 0.135 0.000 0.769 353 G HN 0.326 nan 8.290 nan 0.000 0.547 354 K N -0.775 119.687 120.400 0.104 0.000 2.296 354 K HA 0.025 4.344 4.320 -0.001 0.000 0.200 354 K C 0.819 177.445 176.600 0.044 0.000 1.048 354 K CA -0.271 56.044 56.287 0.047 0.000 0.966 354 K CB -0.069 32.420 32.500 -0.019 0.000 0.754 354 K HN 0.362 nan 8.250 nan 0.000 0.466 355 W N 3.339 124.601 121.300 -0.063 0.000 2.170 355 W HA 0.052 4.712 4.660 -0.001 0.000 0.336 355 W C 0.543 177.053 176.519 -0.014 0.000 1.283 355 W CA -0.425 56.871 57.345 -0.082 0.000 1.224 355 W CB 0.433 29.821 29.460 -0.120 0.000 1.132 355 W HN -0.142 nan 8.180 nan 0.000 0.571 356 K N 5.607 126.134 120.400 0.213 0.000 2.472 356 K HA 0.023 4.343 4.320 -0.001 0.000 0.280 356 K C -2.125 174.663 176.600 0.312 0.000 1.028 356 K CA -0.972 55.437 56.287 0.205 0.000 1.045 356 K CB 0.263 32.830 32.500 0.111 0.000 0.902 356 K HN 0.045 nan 8.250 nan 0.000 0.478 357 P HA 0.011 nan 4.420 nan 0.000 0.271 357 P C -0.337 177.061 177.300 0.164 0.000 1.216 357 P CA -0.061 63.180 63.100 0.235 0.000 0.776 357 P CB 0.532 32.305 31.700 0.122 0.000 0.881 358 M N 0.180 119.882 119.600 0.169 0.000 2.228 358 M HA 0.368 4.847 4.480 -0.001 0.000 0.326 358 M C -0.194 176.124 176.300 0.030 0.000 1.122 358 M CA -0.244 55.107 55.300 0.086 0.000 1.161 358 M CB 0.178 32.819 32.600 0.069 0.000 1.437 358 M HN 0.089 nan 8.290 nan 0.000 0.465 359 D N 1.485 121.898 120.400 0.021 0.000 2.400 359 D HA 0.028 4.667 4.640 -0.001 0.000 0.238 359 D C 1.300 177.592 176.300 -0.014 0.000 1.157 359 D CA -0.282 53.724 54.000 0.009 0.000 0.889 359 D CB 1.152 41.963 40.800 0.018 0.000 1.199 359 D HN 0.529 nan 8.370 nan 0.000 0.436 360 V N 1.543 121.450 119.914 -0.011 0.000 2.278 360 V HA -0.270 3.850 4.120 -0.001 0.000 0.251 360 V C 2.365 178.414 176.094 -0.074 0.000 1.062 360 V CA 2.342 64.626 62.300 -0.027 0.000 1.038 360 V CB -0.478 31.370 31.823 0.042 0.000 0.646 360 V HN 0.696 nan 8.190 nan 0.000 0.447 361 E N -0.224 119.938 120.200 -0.064 0.000 2.274 361 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 361 E C 1.430 177.970 176.600 -0.101 0.000 0.996 361 E CA 1.714 58.035 56.400 -0.132 0.000 0.840 361 E CB -0.309 29.357 29.700 -0.058 0.000 0.772 361 E HN 0.632 nan 8.360 nan 0.000 0.491 362 D N 0.872 121.236 120.400 -0.059 0.000 2.234 362 D HA -0.087 4.552 4.640 -0.001 0.000 0.205 362 D C 2.048 178.309 176.300 -0.065 0.000 0.962 362 D CA 1.483 55.454 54.000 -0.048 0.000 0.855 362 D CB 0.029 40.812 40.800 -0.027 0.000 0.951 362 D HN 0.318 nan 8.370 nan 0.000 0.500 363 S N -0.015 115.637 115.700 -0.080 0.000 2.423 363 S HA -0.083 4.387 4.470 -0.001 0.000 0.231 363 S C 1.992 176.528 174.600 -0.106 0.000 1.014 363 S CA 0.415 58.557 58.200 -0.095 0.000 0.965 363 S CB -0.557 62.571 63.200 -0.119 0.000 0.785 363 S HN 0.255 nan 8.310 nan 0.000 0.495 364 L N 1.098 122.248 121.223 -0.120 0.000 2.187 364 L HA -0.064 4.275 4.340 -0.001 0.000 0.213 364 L C 3.013 179.850 176.870 -0.055 0.000 1.100 364 L CA 1.598 56.374 54.840 -0.107 0.000 0.765 364 L CB -0.616 41.336 42.059 -0.179 0.000 0.904 364 L HN 0.453 nan 8.230 nan 0.000 0.437 365 E N 0.739 120.910 120.200 -0.048 0.000 2.072 365 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 365 E C 2.237 178.853 176.600 0.027 0.000 0.985 365 E CA 1.011 57.416 56.400 0.008 0.000 0.801 365 E CB 0.013 29.728 29.700 0.026 0.000 0.750 365 E HN 0.522 nan 8.360 nan 0.000 0.452 366 L N 0.677 121.814 121.223 -0.143 0.000 2.465 366 L HA -0.079 4.261 4.340 -0.001 0.000 0.224 366 L C 2.049 178.851 176.870 -0.113 0.000 1.145 366 L CA 0.269 54.872 54.840 -0.396 0.000 0.834 366 L CB -0.096 41.691 42.059 -0.454 0.000 0.944 366 L HN 0.158 nan 8.230 nan 0.000 0.451 367 L N -0.752 120.467 121.223 -0.007 0.000 2.592 367 L HA 0.077 4.416 4.340 -0.001 0.000 0.227 367 L C 1.458 178.422 176.870 0.157 0.000 1.127 367 L CA -0.285 54.597 54.840 0.070 0.000 0.884 367 L CB -0.121 41.974 42.059 0.059 0.000 1.065 367 L HN 0.278 nan 8.230 nan 0.000 0.457 368 S N -1.256 114.497 115.700 0.088 0.000 2.641 368 S HA 0.047 4.517 4.470 -0.001 0.000 0.261 368 S C 1.499 175.850 174.600 -0.414 0.000 1.257 368 S CA -0.087 58.043 58.200 -0.117 0.000 0.983 368 S CB 1.085 64.165 63.200 -0.201 0.000 0.990 368 S HN 0.268 nan 8.310 nan 0.000 0.572 369 S N -0.288 114.799 115.700 -1.023 0.000 2.462 369 S HA -0.198 4.272 4.470 -0.001 0.000 0.243 369 S C 0.990 175.505 174.600 -0.141 0.000 1.003 369 S CA 1.314 59.049 58.200 -0.774 0.000 0.970 369 S CB -0.899 61.940 63.200 -0.602 0.000 0.762 369 S HN 0.823 nan 8.310 nan 0.000 0.510 370 H N -0.002 118.888 119.070 -0.299 0.000 2.533 370 H HA 0.430 4.986 4.556 -0.001 0.000 0.271 370 H C -0.824 174.185 175.328 -0.533 0.000 1.000 370 H CA -0.570 55.269 56.048 -0.349 0.000 1.149 370 H CB -0.272 29.282 29.762 -0.346 0.000 1.375 370 H HN 0.526 nan 8.280 nan 0.000 0.582 371 Y N -1.140 119.123 120.300 -0.062 0.000 2.470 371 Y HA 0.303 4.853 4.550 -0.001 0.000 0.341 371 Y C 0.914 176.704 175.900 -0.184 0.000 1.021 371 Y CA -0.607 57.398 58.100 -0.158 0.000 1.025 371 Y CB 2.123 40.488 38.460 -0.158 0.000 1.266 371 Y HN 0.012 nan 8.280 nan 0.000 0.448 372 T N -3.088 111.392 114.554 -0.123 0.000 2.992 372 T HA 0.073 4.423 4.350 -0.001 0.000 0.255 372 T C 0.351 174.940 174.700 -0.186 0.000 0.938 372 T CA -0.349 61.676 62.100 -0.125 0.000 0.895 372 T CB -0.073 68.726 68.868 -0.115 0.000 1.221 372 T HN 0.541 nan 8.240 nan 0.000 0.512 373 N N 3.604 122.088 118.700 -0.360 0.000 2.236 373 N HA -0.016 4.723 4.740 -0.001 0.000 0.274 373 N C -1.751 173.626 175.510 -0.220 0.000 1.339 373 N CA -0.529 52.296 53.050 -0.375 0.000 0.845 373 N CB 1.218 39.245 38.487 -0.766 0.000 1.091 373 N HN 0.082 nan 8.380 nan 0.000 0.489 374 P HA -0.109 nan 4.420 nan 0.000 0.216 374 P C 1.075 178.340 177.300 -0.059 0.000 1.153 374 P CA 1.511 64.571 63.100 -0.067 0.000 0.858 374 P CB 0.166 31.846 31.700 -0.034 0.000 0.789 375 T N -0.947 113.570 114.554 -0.062 0.000 2.777 375 T HA -0.093 4.257 4.350 -0.001 0.000 0.266 375 T C 1.838 176.521 174.700 -0.030 0.000 1.040 375 T CA 1.220 63.309 62.100 -0.020 0.000 1.141 375 T CB -1.068 67.807 68.868 0.012 0.000 0.868 375 T HN -0.111 nan 8.240 nan 0.000 0.444 376 V N 1.821 121.656 119.914 -0.133 0.000 2.255 376 V HA -0.225 3.895 4.120 -0.001 0.000 0.247 376 V C 2.638 178.671 176.094 -0.102 0.000 1.051 376 V CA 1.713 63.910 62.300 -0.172 0.000 1.018 376 V CB -0.613 30.993 31.823 -0.362 0.000 0.641 376 V HN 0.397 nan 8.190 nan 0.000 0.445 377 R N -0.481 119.952 120.500 -0.112 0.000 2.127 377 R HA -0.185 4.155 4.340 -0.001 0.000 0.238 377 R C 2.494 178.771 176.300 -0.039 0.000 1.134 377 R CA 1.618 57.677 56.100 -0.069 0.000 0.975 377 R CB -0.332 29.943 30.300 -0.041 0.000 0.865 377 R HN 0.404 nan 8.270 nan 0.000 0.447 378 R N -0.262 120.227 120.500 -0.017 0.000 2.075 378 R HA -0.128 4.211 4.340 -0.001 0.000 0.226 378 R C 2.055 178.349 176.300 -0.010 0.000 1.114 378 R CA 1.081 57.174 56.100 -0.011 0.000 0.972 378 R CB -0.307 29.999 30.300 0.010 0.000 0.869 378 R HN 0.227 nan 8.270 nan 0.000 0.437 379 Y N 0.437 120.682 120.300 -0.091 0.000 2.224 379 Y HA -0.206 4.344 4.550 -0.001 0.000 0.289 379 Y C 1.946 177.772 175.900 -0.125 0.000 1.146 379 Y CA 1.529 59.576 58.100 -0.089 0.000 1.182 379 Y CB -0.332 38.083 38.460 -0.075 0.000 0.983 379 Y HN 0.156 nan 8.280 nan 0.000 0.524 380 A N -0.276 122.535 122.820 -0.014 0.000 1.865 380 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 380 A C 2.355 179.797 177.584 -0.236 0.000 1.191 380 A CA 2.304 54.269 52.037 -0.120 0.000 0.623 380 A CB -1.454 17.486 19.000 -0.099 0.000 0.826 380 A HN 0.347 nan 8.150 nan 0.000 0.444 381 V N -0.145 119.635 119.914 -0.223 0.000 2.332 381 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 381 V C 3.064 178.889 176.094 -0.448 0.000 1.055 381 V CA 2.075 64.168 62.300 -0.346 0.000 1.038 381 V CB -1.187 30.509 31.823 -0.211 0.000 0.651 381 V HN 0.654 nan 8.190 nan 0.000 0.450 382 A N -0.380 122.243 122.820 -0.327 0.000 1.940 382 A HA -0.217 4.102 4.320 -0.001 0.000 0.219 382 A C 2.349 179.717 177.584 -0.359 0.000 1.176 382 A CA 1.590 53.437 52.037 -0.316 0.000 0.631 382 A CB -0.422 18.403 19.000 -0.292 0.000 0.814 382 A HN 0.442 nan 8.150 nan 0.000 0.446 383 R N -0.603 119.642 120.500 -0.426 0.000 2.090 383 R HA 0.069 4.408 4.340 -0.001 0.000 0.228 383 R C 2.105 178.257 176.300 -0.245 0.000 1.110 383 R CA 0.850 56.743 56.100 -0.344 0.000 0.973 383 R CB -0.840 29.242 30.300 -0.363 0.000 0.869 383 R HN 0.557 nan 8.270 nan 0.000 0.440 384 L N 0.324 121.363 121.223 -0.306 0.000 2.042 384 L HA -0.165 4.175 4.340 -0.001 0.000 0.210 384 L C 2.595 179.329 176.870 -0.227 0.000 1.076 384 L CA 1.245 55.924 54.840 -0.267 0.000 0.749 384 L CB -0.392 41.398 42.059 -0.448 0.000 0.893 384 L HN 0.127 nan 8.230 nan 0.000 0.432 385 R N -0.284 119.972 120.500 -0.407 0.000 2.332 385 R HA -0.201 4.139 4.340 -0.001 0.000 0.239 385 R C 2.056 178.373 176.300 0.028 0.000 1.160 385 R CA 1.026 57.079 56.100 -0.079 0.000 1.020 385 R CB 0.080 30.324 30.300 -0.094 0.000 0.859 385 R HN 0.429 nan 8.270 nan 0.000 0.478 386 Q N -0.815 118.969 119.800 -0.027 0.000 2.398 386 Q HA 0.167 4.506 4.340 -0.001 0.000 0.204 386 Q C 0.355 176.378 176.000 0.038 0.000 0.932 386 Q CA 0.627 56.432 55.803 0.003 0.000 0.916 386 Q CB 0.314 29.037 28.738 -0.025 0.000 1.024 386 Q HN 0.266 nan 8.270 nan 0.000 0.504 387 A N 2.672 125.532 122.820 0.067 0.000 2.407 387 A HA 0.235 4.554 4.320 -0.001 0.000 0.248 387 A C -0.168 177.465 177.584 0.081 0.000 1.082 387 A CA -0.488 51.604 52.037 0.092 0.000 0.785 387 A CB 0.106 19.196 19.000 0.150 0.000 1.020 387 A HN 0.239 nan 8.150 nan 0.000 0.489 388 D N 0.758 121.185 120.400 0.045 0.000 2.348 388 D HA 0.242 4.881 4.640 -0.001 0.000 0.249 388 D C 0.149 176.454 176.300 0.009 0.000 1.110 388 D CA -0.547 53.469 54.000 0.027 0.000 0.967 388 D CB 0.436 41.242 40.800 0.010 0.000 1.139 388 D HN 0.373 nan 8.370 nan 0.000 0.466 389 D N -0.302 120.098 120.400 -0.001 0.000 2.158 389 D HA -0.219 4.420 4.640 -0.001 0.000 0.197 389 D C 1.599 177.865 176.300 -0.058 0.000 0.995 389 D CA 1.442 55.428 54.000 -0.022 0.000 0.846 389 D CB -0.132 40.655 40.800 -0.022 0.000 0.941 389 D HN 0.810 nan 8.370 nan 0.000 0.456 390 E N 0.774 120.937 120.200 -0.061 0.000 2.049 390 E HA -0.226 4.124 4.350 -0.001 0.000 0.198 390 E C 1.367 177.866 176.600 -0.168 0.000 1.007 390 E CA 1.768 58.111 56.400 -0.095 0.000 0.809 390 E CB 0.059 29.714 29.700 -0.075 0.000 0.749 390 E HN 0.056 nan 8.360 nan 0.000 0.450 391 D N 0.141 120.438 120.400 -0.172 0.000 2.097 391 D HA -0.144 4.496 4.640 -0.001 0.000 0.197 391 D C 1.904 177.892 176.300 -0.521 0.000 0.984 391 D CA 0.787 54.589 54.000 -0.329 0.000 0.826 391 D CB -0.432 40.278 40.800 -0.150 0.000 0.973 391 D HN 0.161 nan 8.370 nan 0.000 0.460 392 L N 0.657 121.756 121.223 -0.207 0.000 2.021 392 L HA -0.177 4.162 4.340 -0.001 0.000 0.215 392 L C 2.097 178.875 176.870 -0.153 0.000 1.074 392 L CA 1.384 56.178 54.840 -0.077 0.000 0.760 392 L CB -0.904 41.181 42.059 0.044 0.000 0.889 392 L HN 0.097 nan 8.230 nan 0.000 0.433 393 L N -0.950 120.165 121.223 -0.181 0.000 2.079 393 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 393 L C 2.368 179.094 176.870 -0.240 0.000 1.081 393 L CA 1.849 56.578 54.840 -0.186 0.000 0.752 393 L CB -0.499 41.440 42.059 -0.201 0.000 0.896 393 L HN 0.335 nan 8.230 nan 0.000 0.433 394 M N -1.903 117.467 119.600 -0.385 0.000 2.279 394 M HA -0.199 4.281 4.480 -0.001 0.000 0.264 394 M C 0.980 177.147 176.300 -0.222 0.000 1.062 394 M CA 1.448 56.515 55.300 -0.388 0.000 1.099 394 M CB -0.294 31.971 32.600 -0.558 0.000 1.394 394 M HN 0.261 nan 8.290 nan 0.000 0.426 395 Y N -1.662 118.622 120.300 -0.027 0.000 2.467 395 Y HA 0.165 4.715 4.550 -0.001 0.000 0.250 395 Y C 1.568 177.472 175.900 0.008 0.000 1.155 395 Y CA -0.619 57.472 58.100 -0.016 0.000 1.249 395 Y CB -0.644 37.818 38.460 0.004 0.000 1.146 395 Y HN 0.046 nan 8.280 nan 0.000 0.524 396 L N 0.191 121.489 121.223 0.126 0.000 2.046 396 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 396 L C 2.167 179.136 176.870 0.166 0.000 1.077 396 L CA 1.388 56.329 54.840 0.168 0.000 0.747 396 L CB -0.805 41.367 42.059 0.187 0.000 0.896 396 L HN 0.280 nan 8.230 nan 0.000 0.432 397 L N -0.770 120.485 121.223 0.053 0.000 2.043 397 L HA -0.269 4.071 4.340 -0.001 0.000 0.212 397 L C 2.401 179.176 176.870 -0.158 0.000 1.075 397 L CA 1.837 56.501 54.840 -0.294 0.000 0.752 397 L CB -0.622 41.177 42.059 -0.433 0.000 0.891 397 L HN 0.356 nan 8.230 nan 0.000 0.432 398 Q N -0.993 118.770 119.800 -0.062 0.000 2.123 398 Q HA -0.039 4.301 4.340 -0.001 0.000 0.199 398 Q C 2.223 178.238 176.000 0.026 0.000 0.966 398 Q CA 1.406 57.190 55.803 -0.031 0.000 0.845 398 Q CB -0.313 28.415 28.738 -0.016 0.000 0.907 398 Q HN 0.486 nan 8.270 nan 0.000 0.439 399 L N -0.465 120.801 121.223 0.073 0.000 2.042 399 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 399 L C 2.047 178.968 176.870 0.085 0.000 1.076 399 L CA 0.884 55.783 54.840 0.098 0.000 0.749 399 L CB -0.558 41.590 42.059 0.149 0.000 0.893 399 L HN 0.124 nan 8.230 nan 0.000 0.432 400 V N -0.583 119.384 119.914 0.087 0.000 2.594 400 V HA -0.239 3.881 4.120 -0.001 0.000 0.253 400 V C 2.518 178.691 176.094 0.131 0.000 1.069 400 V CA 1.343 63.715 62.300 0.120 0.000 1.082 400 V CB -0.451 31.446 31.823 0.124 0.000 0.680 400 V HN 0.499 nan 8.190 nan 0.000 0.469 401 Q N -0.076 119.748 119.800 0.041 0.000 2.172 401 Q HA -0.017 4.323 4.340 -0.001 0.000 0.200 401 Q C 2.457 178.390 176.000 -0.111 0.000 0.964 401 Q CA 1.554 57.361 55.803 0.008 0.000 0.855 401 Q CB -0.599 28.125 28.738 -0.025 0.000 0.918 401 Q HN 0.634 nan 8.270 nan 0.000 0.444 402 A N 1.153 123.947 122.820 -0.044 0.000 2.024 402 A HA -0.130 4.189 4.320 -0.001 0.000 0.220 402 A C 2.197 179.700 177.584 -0.135 0.000 1.164 402 A CA 0.820 52.834 52.037 -0.037 0.000 0.643 402 A CB -0.728 18.331 19.000 0.100 0.000 0.806 402 A HN 0.313 nan 8.150 nan 0.000 0.451 403 L N -0.695 120.472 121.223 -0.094 0.000 2.129 403 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 403 L C 2.351 179.108 176.870 -0.188 0.000 1.087 403 L CA 1.631 56.392 54.840 -0.132 0.000 0.757 403 L CB -0.430 41.513 42.059 -0.193 0.000 0.896 403 L HN 0.390 nan 8.230 nan 0.000 0.434 404 K N -0.598 119.609 120.400 -0.322 0.000 2.360 404 K HA -0.179 4.140 4.320 -0.001 0.000 0.201 404 K C 0.929 177.452 176.600 -0.128 0.000 1.046 404 K CA 1.209 57.351 56.287 -0.242 0.000 0.940 404 K CB -0.051 32.187 32.500 -0.438 0.000 0.748 404 K HN 0.358 nan 8.250 nan 0.000 0.465 405 Y N 0.418 120.806 120.300 0.146 0.000 2.531 405 Y HA 0.243 4.793 4.550 -0.001 0.000 0.249 405 Y C 0.634 176.569 175.900 0.059 0.000 1.168 405 Y CA -0.632 57.508 58.100 0.067 0.000 1.226 405 Y CB 0.057 38.547 38.460 0.049 0.000 1.177 405 Y HN -0.136 nan 8.280 nan 0.000 0.527 406 E N 0.797 121.118 120.200 0.202 0.000 2.622 406 E HA 0.066 4.416 4.350 -0.001 0.000 0.255 406 E C -0.297 176.411 176.600 0.180 0.000 1.313 406 E CA -0.415 56.080 56.400 0.158 0.000 1.011 406 E CB 0.540 30.308 29.700 0.113 0.000 1.173 406 E HN 0.037 nan 8.360 nan 0.000 0.601 407 N N 1.163 119.949 118.700 0.143 0.000 2.439 407 N HA 0.038 4.778 4.740 -0.001 0.000 0.249 407 N C 0.338 176.004 175.510 0.261 0.000 1.003 407 N CA -0.091 53.025 53.050 0.110 0.000 0.942 407 N CB 0.205 38.720 38.487 0.047 0.000 1.115 407 N HN 0.168 nan 8.380 nan 0.000 0.505 408 F N 1.558 121.486 119.950 -0.036 0.000 2.234 408 F HA -0.070 4.457 4.527 -0.001 0.000 0.299 408 F C 1.841 177.621 175.800 -0.034 0.000 1.087 408 F CA 0.425 58.394 58.000 -0.050 0.000 1.340 408 F CB -0.293 38.677 39.000 -0.049 0.000 1.031 408 F HN 0.463 nan 8.300 nan 0.000 0.500 409 D N 0.359 120.860 120.400 0.169 0.000 2.084 409 D HA -0.173 4.466 4.640 -0.001 0.000 0.194 409 D C 1.808 178.145 176.300 0.062 0.000 0.990 409 D CA 1.507 55.559 54.000 0.087 0.000 0.826 409 D CB -0.475 40.358 40.800 0.055 0.000 0.971 409 D HN 0.257 nan 8.370 nan 0.000 0.453 410 D N 0.629 121.066 120.400 0.062 0.000 2.149 410 D HA -0.122 4.518 4.640 -0.001 0.000 0.198 410 D C 2.362 178.683 176.300 0.035 0.000 0.990 410 D CA 0.519 54.545 54.000 0.044 0.000 0.839 410 D CB -0.103 40.722 40.800 0.043 0.000 0.948 410 D HN 0.281 nan 8.370 nan 0.000 0.460 411 I N 0.951 121.543 120.570 0.037 0.000 2.163 411 I HA -0.231 3.939 4.170 -0.001 0.000 0.240 411 I C 2.606 178.717 176.117 -0.011 0.000 1.081 411 I CA 1.021 62.321 61.300 -0.001 0.000 1.353 411 I CB -0.120 37.851 38.000 -0.048 0.000 1.054 411 I HN -0.102 nan 8.210 nan 0.000 0.407 412 K N 0.903 121.300 120.400 -0.004 0.000 2.057 412 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 412 K C 1.761 178.366 176.600 0.008 0.000 1.049 412 K CA 1.641 57.926 56.287 -0.004 0.000 0.931 412 K CB -0.081 32.423 32.500 0.008 0.000 0.714 412 K HN 0.232 nan 8.250 nan 0.000 0.440 413 N N 0.468 119.178 118.700 0.018 0.000 2.443 413 N HA -0.090 4.650 4.740 -0.001 0.000 0.184 413 N C 1.239 176.759 175.510 0.016 0.000 1.037 413 N CA 1.090 54.151 53.050 0.018 0.000 0.896 413 N CB -0.335 38.166 38.487 0.022 0.000 0.959 413 N HN 0.344 nan 8.380 nan 0.000 0.442 414 G N 0.211 109.020 108.800 0.015 0.000 3.295 414 G HA2 0.259 4.218 3.960 -0.001 0.000 0.231 414 G HA3 0.259 4.218 3.960 -0.001 0.000 0.231 414 G C 0.289 175.197 174.900 0.014 0.000 1.277 414 G CA -0.257 44.852 45.100 0.015 0.000 1.013 414 G HN 0.112 nan 8.290 nan 0.000 0.509 472 E N -0.412 119.801 120.200 0.021 0.000 2.460 472 E HA 0.106 4.455 4.350 -0.001 0.000 0.200 472 E C 0.177 176.797 176.600 0.034 0.000 1.011 472 E CA -0.017 56.399 56.400 0.028 0.000 0.912 472 E CB 0.578 30.296 29.700 0.029 0.000 0.953 472 E HN 0.525 nan 8.360 nan 0.000 0.494 473 Q N 2.526 122.348 119.800 0.037 0.000 2.293 473 Q HA 0.198 4.537 4.340 -0.001 0.000 0.261 473 Q C -0.506 175.521 176.000 0.044 0.000 0.960 473 Q CA -0.855 54.983 55.803 0.059 0.000 0.882 473 Q CB 1.600 30.404 28.738 0.111 0.000 1.275 473 Q HN 0.124 nan 8.270 nan 0.000 0.445 474 D N 1.464 121.895 120.400 0.052 0.000 2.414 474 D HA -0.031 4.608 4.640 -0.001 0.000 0.251 474 D C 0.779 177.129 176.300 0.083 0.000 1.252 474 D CA -0.603 53.426 54.000 0.048 0.000 0.999 474 D CB 0.898 41.724 40.800 0.043 0.000 1.093 474 D HN 0.382 nan 8.370 nan 0.000 0.515 475 L N 0.393 121.662 121.223 0.078 0.000 2.017 475 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 475 L C 2.487 179.444 176.870 0.144 0.000 1.073 475 L CA 1.677 56.595 54.840 0.129 0.000 0.745 475 L CB -0.856 41.259 42.059 0.093 0.000 0.894 475 L HN 0.787 nan 8.230 nan 0.000 0.432 476 C N -0.834 118.507 119.300 0.067 0.000 2.413 476 C HA -0.225 4.235 4.460 -0.001 0.000 0.277 476 C C 2.723 177.726 174.990 0.020 0.000 1.228 476 C CA 1.856 60.887 59.018 0.021 0.000 1.731 476 C CB -1.188 26.548 27.740 -0.007 0.000 2.042 476 C HN 0.675 nan 8.230 nan 0.000 0.468 477 T N 0.564 115.148 114.554 0.049 0.000 2.720 477 T HA -0.186 4.164 4.350 -0.001 0.000 0.268 477 T C 1.400 176.138 174.700 0.063 0.000 1.037 477 T CA 2.057 64.187 62.100 0.050 0.000 1.144 477 T CB -0.615 68.291 68.868 0.063 0.000 0.864 477 T HN 0.704 nan 8.240 nan 0.000 0.444 478 F N 1.727 121.666 119.950 -0.019 0.000 2.102 478 F HA -0.007 4.520 4.527 -0.001 0.000 0.298 478 F C 1.918 177.699 175.800 -0.031 0.000 1.105 478 F CA 1.061 59.050 58.000 -0.019 0.000 1.239 478 F CB -0.615 38.376 39.000 -0.016 0.000 0.991 478 F HN 0.038 nan 8.300 nan 0.000 0.474 479 L N 0.193 121.287 121.223 -0.215 0.000 1.989 479 L HA -0.263 4.076 4.340 -0.001 0.000 0.211 479 L C 2.602 179.253 176.870 -0.364 0.000 1.071 479 L CA 1.768 56.404 54.840 -0.340 0.000 0.749 479 L CB -0.810 41.172 42.059 -0.128 0.000 0.890 479 L HN 0.210 nan 8.230 nan 0.000 0.431 480 I N -0.764 119.645 120.570 -0.269 0.000 2.163 480 I HA -0.352 3.818 4.170 -0.001 0.000 0.243 480 I C 2.873 178.911 176.117 -0.132 0.000 1.085 480 I CA 1.660 62.818 61.300 -0.238 0.000 1.347 480 I CB -0.299 37.649 38.000 -0.087 0.000 1.044 480 I HN 0.296 nan 8.210 nan 0.000 0.408 481 S N 0.583 116.205 115.700 -0.130 0.000 2.400 481 S HA -0.189 4.280 4.470 -0.001 0.000 0.232 481 S C 2.223 176.731 174.600 -0.153 0.000 1.025 481 S CA 1.202 59.343 58.200 -0.099 0.000 0.993 481 S CB -0.153 63.008 63.200 -0.066 0.000 0.808 481 S HN 0.277 nan 8.310 nan 0.000 0.478 482 R N 0.729 121.048 120.500 -0.302 0.000 2.119 482 R HA 0.230 4.570 4.340 -0.001 0.000 0.222 482 R C 2.627 178.836 176.300 -0.152 0.000 1.088 482 R CA 1.111 57.042 56.100 -0.280 0.000 0.984 482 R CB -1.348 28.653 30.300 -0.497 0.000 0.884 482 R HN 0.544 nan 8.270 nan 0.000 0.447 483 A N 0.505 123.239 122.820 -0.143 0.000 1.902 483 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 483 A C 2.489 180.120 177.584 0.079 0.000 1.181 483 A CA 1.520 53.544 52.037 -0.020 0.000 0.623 483 A CB -0.870 18.083 19.000 -0.078 0.000 0.818 483 A HN 0.385 nan 8.150 nan 0.000 0.443 484 C N -0.637 118.709 119.300 0.076 0.000 2.410 484 C HA -0.065 4.394 4.460 -0.001 0.000 0.281 484 C C 2.463 177.466 174.990 0.022 0.000 1.318 484 C CA 1.418 60.476 59.018 0.067 0.000 1.776 484 C CB -1.005 26.765 27.740 0.050 0.000 1.942 484 C HN 0.601 nan 8.230 nan 0.000 0.508 485 K N -0.516 119.884 120.400 -0.001 0.000 2.354 485 K HA 0.087 4.407 4.320 -0.001 0.000 0.194 485 K C 0.348 176.943 176.600 -0.008 0.000 1.038 485 K CA 0.159 56.441 56.287 -0.008 0.000 1.052 485 K CB 0.161 32.651 32.500 -0.017 0.000 0.861 485 K HN 0.280 nan 8.250 nan 0.000 0.535 486 N N 0.595 119.291 118.700 -0.007 0.000 2.504 486 N HA 0.028 4.767 4.740 -0.001 0.000 0.280 486 N C 0.231 175.751 175.510 0.018 0.000 1.052 486 N CA -0.036 53.013 53.050 -0.002 0.000 0.887 486 N CB 1.846 40.324 38.487 -0.014 0.000 1.323 486 N HN -0.021 nan 8.380 nan 0.000 0.509 487 S N 1.589 117.298 115.700 0.014 0.000 2.481 487 S HA -0.062 4.407 4.470 -0.001 0.000 0.231 487 S C 1.318 175.937 174.600 0.032 0.000 0.996 487 S CA 1.099 59.309 58.200 0.016 0.000 0.942 487 S CB -0.040 63.154 63.200 -0.010 0.000 0.768 487 S HN 0.503 nan 8.310 nan 0.000 0.520 488 T N 2.973 117.556 114.554 0.049 0.000 2.809 488 T HA 0.202 4.551 4.350 -0.001 0.000 0.260 488 T C 1.694 176.497 174.700 0.172 0.000 1.039 488 T CA 1.221 63.389 62.100 0.113 0.000 1.141 488 T CB -0.480 68.462 68.868 0.124 0.000 0.869 488 T HN 0.302 nan 8.240 nan 0.000 0.437 489 L N 1.070 122.350 121.223 0.095 0.000 2.042 489 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 489 L C 3.009 179.930 176.870 0.086 0.000 1.076 489 L CA 1.340 56.222 54.840 0.071 0.000 0.749 489 L CB -0.673 41.376 42.059 -0.016 0.000 0.893 489 L HN 0.243 nan 8.230 nan 0.000 0.432 490 A N -0.160 122.725 122.820 0.107 0.000 1.933 490 A HA -0.235 4.084 4.320 -0.001 0.000 0.218 490 A C 2.031 179.757 177.584 0.238 0.000 1.175 490 A CA 2.156 54.337 52.037 0.239 0.000 0.628 490 A CB -0.658 18.498 19.000 0.260 0.000 0.814 490 A HN 0.444 nan 8.150 nan 0.000 0.444 491 N N -1.554 117.209 118.700 0.106 0.000 2.062 491 N HA -0.128 4.612 4.740 -0.001 0.000 0.191 491 N C 1.517 177.053 175.510 0.043 0.000 1.042 491 N CA 1.767 54.842 53.050 0.041 0.000 0.845 491 N CB -0.382 38.047 38.487 -0.098 0.000 1.024 491 N HN 0.528 nan 8.380 nan 0.000 0.424 492 Y N 0.146 120.429 120.300 -0.029 0.000 2.224 492 Y HA -0.077 4.473 4.550 -0.001 0.000 0.289 492 Y C 1.968 177.637 175.900 -0.385 0.000 1.146 492 Y CA 0.643 58.523 58.100 -0.367 0.000 1.182 492 Y CB -0.418 37.783 38.460 -0.432 0.000 0.983 492 Y HN 0.123 nan 8.280 nan 0.000 0.524 493 L N -1.006 120.230 121.223 0.022 0.000 2.093 493 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 493 L C 2.206 179.118 176.870 0.070 0.000 1.085 493 L CA 1.623 56.463 54.840 0.000 0.000 0.755 493 L CB -0.940 40.995 42.059 -0.207 0.000 0.904 493 L HN 0.332 nan 8.230 nan 0.000 0.435 494 Y N -1.254 119.093 120.300 0.077 0.000 2.109 494 Y HA -0.258 4.291 4.550 -0.001 0.000 0.285 494 Y C 2.053 177.869 175.900 -0.140 0.000 1.131 494 Y CA 1.975 60.081 58.100 0.010 0.000 1.121 494 Y CB -0.707 37.642 38.460 -0.184 0.000 0.987 494 Y HN 0.200 nan 8.280 nan 0.000 0.495 495 W N -1.178 120.136 121.300 0.024 0.000 2.388 495 W HA -0.216 4.443 4.660 -0.001 0.000 0.294 495 W C 2.137 178.672 176.519 0.027 0.000 1.212 495 W CA 1.120 58.441 57.345 -0.040 0.000 1.271 495 W CB -0.712 28.762 29.460 0.024 0.000 1.126 495 W HN 0.117 nan 8.180 nan 0.000 0.535 496 Y N -0.231 120.187 120.300 0.196 0.000 2.224 496 Y HA -0.181 4.369 4.550 -0.001 0.000 0.289 496 Y C 2.299 178.156 175.900 -0.072 0.000 1.146 496 Y CA 0.565 58.711 58.100 0.077 0.000 1.182 496 Y CB -1.424 37.086 38.460 0.085 0.000 0.983 496 Y HN -0.190 nan 8.280 nan 0.000 0.524 497 V N 0.819 120.760 119.914 0.045 0.000 2.407 497 V HA -0.230 3.889 4.120 -0.001 0.000 0.245 497 V C 2.272 178.256 176.094 -0.183 0.000 1.041 497 V CA 1.638 63.882 62.300 -0.092 0.000 1.040 497 V CB -0.843 30.971 31.823 -0.016 0.000 0.671 497 V HN 0.421 nan 8.190 nan 0.000 0.455 498 I N -1.288 119.114 120.570 -0.279 0.000 2.394 498 I HA -0.114 4.056 4.170 -0.001 0.000 0.251 498 I C 2.262 178.319 176.117 -0.100 0.000 1.136 498 I CA 1.226 62.375 61.300 -0.252 0.000 1.425 498 I CB -0.912 36.852 38.000 -0.393 0.000 1.079 498 I HN 0.081 nan 8.210 nan 0.000 0.425 499 V N 1.664 121.562 119.914 -0.027 0.000 2.490 499 V HA -0.192 3.927 4.120 -0.001 0.000 0.250 499 V C 2.731 178.767 176.094 -0.096 0.000 1.061 499 V CA 1.854 64.150 62.300 -0.007 0.000 1.064 499 V CB -0.760 31.098 31.823 0.060 0.000 0.670 499 V HN 0.459 nan 8.190 nan 0.000 0.461 500 E N -0.571 119.501 120.200 -0.214 0.000 2.072 500 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 500 E C 2.316 178.814 176.600 -0.170 0.000 0.985 500 E CA 1.579 57.761 56.400 -0.362 0.000 0.801 500 E CB -0.642 28.447 29.700 -1.018 0.000 0.750 500 E HN 0.634 nan 8.360 nan 0.000 0.452 501 C N 0.974 120.197 119.300 -0.128 0.000 2.413 501 C HA -0.105 4.354 4.460 -0.001 0.000 0.276 501 C C 2.375 177.426 174.990 0.102 0.000 1.248 501 C CA 0.604 59.597 59.018 -0.041 0.000 1.742 501 C CB -0.808 26.890 27.740 -0.069 0.000 2.017 501 C HN 0.451 nan 8.230 nan 0.000 0.481 502 E N 0.222 120.447 120.200 0.043 0.000 2.502 502 E HA -0.047 4.303 4.350 -0.001 0.000 0.194 502 E C 0.070 176.696 176.600 0.042 0.000 1.062 502 E CA -0.042 56.393 56.400 0.059 0.000 0.867 502 E CB -0.105 29.622 29.700 0.044 0.000 0.888 502 E HN 0.444 nan 8.360 nan 0.000 0.510 503 D N 0.911 121.336 120.400 0.042 0.000 2.416 503 D HA -0.011 4.628 4.640 -0.001 0.000 0.240 503 D C 0.630 176.941 176.300 0.018 0.000 1.250 503 D CA 0.295 54.306 54.000 0.018 0.000 0.967 503 D CB 0.529 41.331 40.800 0.003 0.000 1.059 503 D HN 0.109 nan 8.370 nan 0.000 0.512 504 Q N 1.749 121.543 119.800 -0.009 0.000 2.096 504 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 504 Q C 1.413 177.390 176.000 -0.038 0.000 0.982 504 Q CA 1.173 56.952 55.803 -0.039 0.000 0.850 504 Q CB 0.095 28.817 28.738 -0.028 0.000 0.901 504 Q HN 0.545 nan 8.270 nan 0.000 0.422 505 D N -0.141 120.248 120.400 -0.018 0.000 2.154 505 D HA -0.193 4.447 4.640 -0.001 0.000 0.190 505 D C 1.651 177.951 176.300 0.000 0.000 1.003 505 D CA 2.005 55.999 54.000 -0.009 0.000 0.849 505 D CB 0.026 40.824 40.800 -0.004 0.000 0.942 505 D HN 0.222 nan 8.370 nan 0.000 0.446 506 T N 0.914 115.479 114.554 0.019 0.000 2.777 506 T HA -0.148 4.202 4.350 -0.001 0.000 0.266 506 T C 2.039 176.754 174.700 0.025 0.000 1.040 506 T CA 1.097 63.230 62.100 0.055 0.000 1.141 506 T CB -0.223 68.712 68.868 0.112 0.000 0.868 506 T HN 0.315 nan 8.240 nan 0.000 0.444 507 Q N 0.984 120.732 119.800 -0.087 0.000 2.082 507 Q HA -0.271 4.068 4.340 -0.001 0.000 0.211 507 Q C 2.554 178.485 176.000 -0.115 0.000 1.002 507 Q CA 1.914 57.550 55.803 -0.278 0.000 0.868 507 Q CB -0.299 28.211 28.738 -0.380 0.000 0.931 507 Q HN 0.655 nan 8.270 nan 0.000 0.414 508 Q N 0.037 119.797 119.800 -0.067 0.000 1.965 508 Q HA -0.105 4.235 4.340 -0.001 0.000 0.200 508 Q C 2.114 178.114 176.000 -0.001 0.000 0.981 508 Q CA 1.115 56.900 55.803 -0.030 0.000 0.834 508 Q CB -0.109 28.617 28.738 -0.021 0.000 0.900 508 Q HN 0.265 nan 8.270 nan 0.000 0.426 509 R N 0.031 120.538 120.500 0.012 0.000 2.193 509 R HA -0.026 4.314 4.340 -0.001 0.000 0.213 509 R C 0.118 176.447 176.300 0.049 0.000 1.055 509 R CA 0.866 56.983 56.100 0.029 0.000 0.995 509 R CB 0.318 30.636 30.300 0.031 0.000 0.893 509 R HN 0.136 nan 8.270 nan 0.000 0.459 510 D N -1.485 118.954 120.400 0.065 0.000 3.100 510 D HA 0.156 4.796 4.640 -0.001 0.000 0.350 510 D C -2.122 174.255 176.300 0.127 0.000 1.310 510 D CA -1.389 52.671 54.000 0.100 0.000 0.741 510 D CB 0.885 41.755 40.800 0.117 0.000 1.248 510 D HN -0.184 nan 8.370 nan 0.000 0.527 511 P HA -0.175 nan 4.420 nan 0.000 0.217 511 P C 1.150 178.545 177.300 0.158 0.000 1.148 511 P CA 1.059 64.229 63.100 0.118 0.000 0.828 511 P CB 0.332 32.075 31.700 0.073 0.000 0.783 512 K N -1.291 119.207 120.400 0.163 0.000 2.097 512 K HA -0.058 4.261 4.320 -0.001 0.000 0.206 512 K C 1.932 178.630 176.600 0.163 0.000 1.049 512 K CA 1.550 57.963 56.287 0.211 0.000 0.933 512 K CB -0.556 32.121 32.500 0.294 0.000 0.717 512 K HN 0.111 nan 8.250 nan 0.000 0.442 513 T N -0.818 113.851 114.554 0.192 0.000 2.942 513 T HA -0.112 4.238 4.350 -0.001 0.000 0.265 513 T C 1.512 176.206 174.700 -0.010 0.000 1.062 513 T CA 1.212 63.326 62.100 0.024 0.000 1.139 513 T CB -0.232 68.748 68.868 0.185 0.000 0.883 513 T HN 0.395 nan 8.240 nan 0.000 0.468 514 H N 1.403 120.495 119.070 0.037 0.000 2.357 514 H HA 0.026 4.581 4.556 -0.001 0.000 0.301 514 H C 2.116 177.445 175.328 0.001 0.000 1.082 514 H CA 1.644 57.729 56.048 0.061 0.000 1.342 514 H CB 0.032 29.826 29.762 0.052 0.000 1.389 514 H HN 0.371 nan 8.280 nan 0.000 0.511 515 E N 0.062 120.234 120.200 -0.047 0.000 2.110 515 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 515 E C 2.234 178.684 176.600 -0.250 0.000 0.988 515 E CA 1.063 57.391 56.400 -0.121 0.000 0.804 515 E CB -0.081 29.607 29.700 -0.020 0.000 0.745 515 E HN 0.495 nan 8.360 nan 0.000 0.458 516 M N 0.008 119.355 119.600 -0.421 0.000 2.117 516 M HA -0.184 4.296 4.480 -0.001 0.000 0.262 516 M C 1.485 177.471 176.300 -0.523 0.000 1.065 516 M CA 1.762 56.659 55.300 -0.671 0.000 1.114 516 M CB -0.325 31.409 32.600 -1.443 0.000 1.361 516 M HN 0.124 nan 8.290 nan 0.000 0.408 517 Y N 0.810 120.903 120.300 -0.344 0.000 2.242 517 Y HA -0.130 4.420 4.550 -0.001 0.000 0.291 517 Y C 2.359 178.113 175.900 -0.242 0.000 1.137 517 Y CA 1.393 59.336 58.100 -0.262 0.000 1.181 517 Y CB -0.805 37.519 38.460 -0.227 0.000 0.989 517 Y HN 0.215 nan 8.280 nan 0.000 0.527 518 L N -0.306 120.813 121.223 -0.174 0.000 1.994 518 L HA -0.287 4.053 4.340 -0.001 0.000 0.208 518 L C 2.092 178.909 176.870 -0.088 0.000 1.071 518 L CA 1.432 56.184 54.840 -0.148 0.000 0.745 518 L CB -0.684 41.264 42.059 -0.186 0.000 0.892 518 L HN 0.196 nan 8.230 nan 0.000 0.431 519 N N -0.257 118.376 118.700 -0.112 0.000 2.184 519 N HA -0.173 4.566 4.740 -0.001 0.000 0.190 519 N C 1.751 177.223 175.510 -0.062 0.000 1.011 519 N CA 1.263 54.262 53.050 -0.085 0.000 0.867 519 N CB -0.522 37.898 38.487 -0.112 0.000 0.993 519 N HN 0.168 nan 8.380 nan 0.000 0.433 520 V N 0.801 120.669 119.914 -0.077 0.000 2.407 520 V HA -0.129 3.990 4.120 -0.001 0.000 0.245 520 V C 2.304 178.433 176.094 0.057 0.000 1.041 520 V CA 1.188 63.472 62.300 -0.027 0.000 1.040 520 V CB -0.387 31.413 31.823 -0.038 0.000 0.671 520 V HN 0.191 nan 8.190 nan 0.000 0.455 521 M N 0.199 119.833 119.600 0.058 0.000 2.108 521 M HA -0.153 4.326 4.480 -0.001 0.000 0.261 521 M C 2.207 178.563 176.300 0.093 0.000 1.066 521 M CA 1.856 57.214 55.300 0.097 0.000 1.107 521 M CB -0.545 32.063 32.600 0.015 0.000 1.356 521 M HN 0.132 nan 8.290 nan 0.000 0.406 522 R N -0.786 119.738 120.500 0.039 0.000 2.073 522 R HA -0.091 4.249 4.340 -0.001 0.000 0.234 522 R C 2.276 178.606 176.300 0.051 0.000 1.134 522 R CA 1.293 57.410 56.100 0.028 0.000 0.952 522 R CB -0.567 29.735 30.300 0.004 0.000 0.850 522 R HN 0.356 nan 8.270 nan 0.000 0.433 523 R N 0.078 120.615 120.500 0.061 0.000 2.127 523 R HA -0.122 4.217 4.340 -0.001 0.000 0.238 523 R C 2.017 178.407 176.300 0.151 0.000 1.134 523 R CA 1.011 57.156 56.100 0.074 0.000 0.975 523 R CB -0.475 29.852 30.300 0.046 0.000 0.865 523 R HN 0.206 nan 8.270 nan 0.000 0.447 524 F N 0.827 120.768 119.950 -0.014 0.000 2.187 524 F HA -0.032 4.494 4.527 -0.001 0.000 0.295 524 F C 2.500 178.295 175.800 -0.009 0.000 1.091 524 F CA 1.095 59.089 58.000 -0.009 0.000 1.308 524 F CB -0.845 38.156 39.000 0.001 0.000 1.030 524 F HN -0.091 nan 8.300 nan 0.000 0.487 525 S N -0.115 115.572 115.700 -0.021 0.000 2.348 525 S HA -0.277 4.193 4.470 -0.001 0.000 0.221 525 S C 2.197 176.753 174.600 -0.074 0.000 1.033 525 S CA 1.676 59.792 58.200 -0.140 0.000 1.010 525 S CB -0.706 62.443 63.200 -0.084 0.000 0.891 525 S HN 0.618 nan 8.310 nan 0.000 0.442 526 Q N 0.209 120.000 119.800 -0.015 0.000 2.096 526 Q HA -0.185 4.155 4.340 -0.001 0.000 0.208 526 Q C 2.218 178.221 176.000 0.006 0.000 0.993 526 Q CA 1.873 57.674 55.803 -0.003 0.000 0.862 526 Q CB -0.545 28.201 28.738 0.013 0.000 0.915 526 Q HN 0.703 nan 8.270 nan 0.000 0.416 527 A N 0.439 123.284 122.820 0.042 0.000 1.930 527 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 527 A C 2.028 179.626 177.584 0.024 0.000 1.175 527 A CA 1.054 53.123 52.037 0.054 0.000 0.627 527 A CB -0.588 18.478 19.000 0.110 0.000 0.815 527 A HN 0.461 nan 8.150 nan 0.000 0.443 528 L N -0.728 120.486 121.223 -0.015 0.000 2.141 528 L HA -0.115 4.225 4.340 -0.001 0.000 0.209 528 L C 2.471 179.301 176.870 -0.067 0.000 1.094 528 L CA 0.711 55.510 54.840 -0.070 0.000 0.763 528 L CB -0.377 41.555 42.059 -0.211 0.000 0.908 528 L HN 0.397 nan 8.230 nan 0.000 0.437 529 L N -0.349 120.837 121.223 -0.061 0.000 2.056 529 L HA -0.203 4.137 4.340 -0.001 0.000 0.207 529 L C 2.280 179.132 176.870 -0.030 0.000 1.078 529 L CA 1.293 56.104 54.840 -0.049 0.000 0.749 529 L CB -0.319 41.713 42.059 -0.045 0.000 0.901 529 L HN 0.186 nan 8.230 nan 0.000 0.433 530 K N 0.269 120.659 120.400 -0.017 0.000 2.515 530 K HA 0.001 4.321 4.320 -0.001 0.000 0.196 530 K C 1.128 177.723 176.600 -0.009 0.000 1.038 530 K CA 0.204 56.486 56.287 -0.009 0.000 0.967 530 K CB -0.271 32.229 32.500 0.000 0.000 0.780 530 K HN 0.308 nan 8.250 nan 0.000 0.483 531 G N 1.980 110.772 108.800 -0.015 0.000 2.653 531 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.265 531 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.265 531 G C -0.140 174.749 174.900 -0.017 0.000 1.237 531 G CA -0.621 44.470 45.100 -0.014 0.000 0.946 531 G HN 0.216 nan 8.290 nan 0.000 0.522 532 D N -1.208 119.183 120.400 -0.016 0.000 2.393 532 D HA 0.245 4.884 4.640 -0.001 0.000 0.246 532 D C 1.563 177.849 176.300 -0.023 0.000 1.275 532 D CA 0.163 54.152 54.000 -0.017 0.000 0.979 532 D CB 0.446 41.238 40.800 -0.013 0.000 1.101 532 D HN 0.469 nan 8.370 nan 0.000 0.505 533 K N -0.047 120.339 120.400 -0.023 0.000 2.097 533 K HA -0.159 4.160 4.320 -0.001 0.000 0.206 533 K C 2.277 178.857 176.600 -0.033 0.000 1.049 533 K CA 2.202 58.472 56.287 -0.028 0.000 0.933 533 K CB -1.387 31.099 32.500 -0.024 0.000 0.717 533 K HN 0.611 nan 8.250 nan 0.000 0.442 534 S N 0.208 115.890 115.700 -0.029 0.000 2.383 534 S HA -0.114 4.356 4.470 -0.001 0.000 0.227 534 S C 2.157 176.734 174.600 -0.039 0.000 1.026 534 S CA 1.372 59.553 58.200 -0.032 0.000 0.981 534 S CB -0.366 62.820 63.200 -0.025 0.000 0.818 534 S HN 0.285 nan 8.310 nan 0.000 0.472 535 V N 2.186 122.078 119.914 -0.036 0.000 2.427 535 V HA -0.050 4.070 4.120 -0.001 0.000 0.248 535 V C 2.935 178.990 176.094 -0.065 0.000 1.051 535 V CA 1.813 64.088 62.300 -0.043 0.000 1.048 535 V CB -0.760 31.046 31.823 -0.029 0.000 0.666 535 V HN 0.475 nan 8.190 nan 0.000 0.456 536 R N -0.500 119.963 120.500 -0.061 0.000 2.115 536 R HA -0.074 4.265 4.340 -0.001 0.000 0.230 536 R C 2.224 178.476 176.300 -0.081 0.000 1.111 536 R CA 1.090 57.146 56.100 -0.073 0.000 0.976 536 R CB -0.389 29.877 30.300 -0.057 0.000 0.870 536 R HN 0.405 nan 8.270 nan 0.000 0.445 537 V N 1.637 121.510 119.914 -0.069 0.000 2.307 537 V HA -0.281 3.839 4.120 -0.001 0.000 0.245 537 V C 2.430 178.469 176.094 -0.091 0.000 1.045 537 V CA 1.819 64.076 62.300 -0.072 0.000 1.024 537 V CB -0.418 31.371 31.823 -0.056 0.000 0.651 537 V HN 0.359 nan 8.190 nan 0.000 0.449 538 M N 0.113 119.659 119.600 -0.090 0.000 2.149 538 M HA -0.259 4.220 4.480 -0.001 0.000 0.261 538 M C 2.374 178.579 176.300 -0.159 0.000 1.064 538 M CA 2.124 57.361 55.300 -0.106 0.000 1.102 538 M CB -0.261 32.290 32.600 -0.081 0.000 1.369 538 M HN 0.236 nan 8.290 nan 0.000 0.408 539 R N 0.079 120.473 120.500 -0.177 0.000 2.081 539 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 539 R C 2.135 178.298 176.300 -0.227 0.000 1.131 539 R CA 2.156 58.110 56.100 -0.244 0.000 0.960 539 R CB -0.356 29.808 30.300 -0.226 0.000 0.856 539 R HN 0.623 nan 8.270 nan 0.000 0.436 540 S N 0.517 116.120 115.700 -0.163 0.000 2.423 540 S HA -0.064 4.406 4.470 -0.001 0.000 0.231 540 S C 2.090 176.604 174.600 -0.143 0.000 1.014 540 S CA 0.739 58.857 58.200 -0.137 0.000 0.965 540 S CB -0.338 62.804 63.200 -0.096 0.000 0.785 540 S HN 0.326 nan 8.310 nan 0.000 0.495 541 L N 0.670 121.804 121.223 -0.147 0.000 2.141 541 L HA -0.018 4.321 4.340 -0.001 0.000 0.209 541 L C 2.508 179.254 176.870 -0.207 0.000 1.094 541 L CA 0.925 55.678 54.840 -0.144 0.000 0.763 541 L CB -0.724 41.261 42.059 -0.123 0.000 0.908 541 L HN 0.334 nan 8.230 nan 0.000 0.437 542 L N -0.075 120.960 121.223 -0.314 0.000 1.955 542 L HA -0.243 4.096 4.340 -0.001 0.000 0.213 542 L C 2.959 179.520 176.870 -0.514 0.000 1.072 542 L CA 1.486 55.993 54.840 -0.556 0.000 0.755 542 L CB -0.933 40.632 42.059 -0.822 0.000 0.888 542 L HN 0.231 nan 8.230 nan 0.000 0.432 543 A N 0.117 122.704 122.820 -0.389 0.000 1.915 543 A HA -0.341 3.979 4.320 -0.001 0.000 0.220 543 A C 2.511 180.031 177.584 -0.107 0.000 1.198 543 A CA 2.542 54.447 52.037 -0.219 0.000 0.647 543 A CB -1.063 17.848 19.000 -0.148 0.000 0.825 543 A HN 0.496 nan 8.150 nan 0.000 0.456 544 A N -1.118 121.649 122.820 -0.089 0.000 1.908 544 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 544 A C 2.131 179.756 177.584 0.069 0.000 1.181 544 A CA 1.892 53.924 52.037 -0.008 0.000 0.627 544 A CB -0.602 18.381 19.000 -0.027 0.000 0.818 544 A HN 0.708 nan 8.150 nan 0.000 0.445 545 Q N -1.469 118.352 119.800 0.036 0.000 2.046 545 Q HA -0.232 4.108 4.340 -0.001 0.000 0.200 545 Q C 2.339 178.563 176.000 0.374 0.000 0.975 545 Q CA 1.567 57.484 55.803 0.191 0.000 0.836 545 Q CB -0.222 28.648 28.738 0.221 0.000 0.896 545 Q HN 0.710 nan 8.270 nan 0.000 0.428 546 Q N 0.466 120.402 119.800 0.225 0.000 2.112 546 Q HA -0.176 4.164 4.340 -0.001 0.000 0.206 546 Q C 1.880 178.047 176.000 0.277 0.000 0.987 546 Q CA 2.221 58.203 55.803 0.298 0.000 0.858 546 Q CB -0.541 28.249 28.738 0.088 0.000 0.905 546 Q HN 0.270 nan 8.270 nan 0.000 0.420 547 T N -0.044 114.618 114.554 0.181 0.000 2.708 547 T HA -0.116 4.233 4.350 -0.001 0.000 0.266 547 T C 1.275 176.080 174.700 0.176 0.000 1.037 547 T CA 1.234 63.418 62.100 0.141 0.000 1.146 547 T CB -0.521 68.399 68.868 0.087 0.000 0.865 547 T HN 0.384 nan 8.240 nan 0.000 0.435 548 F N 1.538 121.546 119.950 0.096 0.000 2.069 548 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 548 F C 2.278 178.142 175.800 0.106 0.000 1.113 548 F CA 1.138 59.194 58.000 0.093 0.000 1.214 548 F CB -0.457 38.609 39.000 0.111 0.000 0.978 548 F HN -0.096 nan 8.300 nan 0.000 0.474 549 V N 0.154 120.337 119.914 0.449 0.000 2.594 549 V HA -0.276 3.843 4.120 -0.001 0.000 0.253 549 V C 1.942 178.106 176.094 0.116 0.000 1.069 549 V CA 1.975 64.462 62.300 0.310 0.000 1.082 549 V CB -0.717 31.401 31.823 0.493 0.000 0.680 549 V HN 0.309 nan 8.190 nan 0.000 0.469 550 D N 0.191 120.682 120.400 0.152 0.000 2.097 550 D HA -0.125 4.515 4.640 -0.001 0.000 0.195 550 D C 2.445 178.741 176.300 -0.006 0.000 0.989 550 D CA 1.219 55.272 54.000 0.088 0.000 0.827 550 D CB -0.227 40.630 40.800 0.096 0.000 0.966 550 D HN 0.383 nan 8.370 nan 0.000 0.456 551 R N -0.012 120.447 120.500 -0.068 0.000 2.092 551 R HA -0.077 4.263 4.340 -0.001 0.000 0.231 551 R C 2.216 178.407 176.300 -0.182 0.000 1.119 551 R CA 0.397 56.424 56.100 -0.122 0.000 0.970 551 R CB -0.391 29.791 30.300 -0.197 0.000 0.864 551 R HN 0.160 nan 8.270 nan 0.000 0.440 552 L N 0.930 121.970 121.223 -0.306 0.000 2.093 552 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 552 L C 2.035 178.714 176.870 -0.318 0.000 1.085 552 L CA 1.453 56.055 54.840 -0.397 0.000 0.755 552 L CB -0.310 41.416 42.059 -0.554 0.000 0.904 552 L HN -0.129 nan 8.230 nan 0.000 0.435 553 V N -0.480 119.286 119.914 -0.247 0.000 2.295 553 V HA -0.340 3.780 4.120 -0.001 0.000 0.246 553 V C 2.551 178.522 176.094 -0.206 0.000 1.049 553 V CA 2.042 64.180 62.300 -0.271 0.000 1.024 553 V CB -0.882 30.805 31.823 -0.227 0.000 0.648 553 V HN 0.679 nan 8.190 nan 0.000 0.447 554 H N -0.255 118.715 119.070 -0.167 0.000 2.319 554 H HA -0.183 4.373 4.556 -0.001 0.000 0.299 554 H C 1.957 177.217 175.328 -0.113 0.000 1.092 554 H CA 2.186 58.168 56.048 -0.110 0.000 1.302 554 H CB -0.248 29.464 29.762 -0.082 0.000 1.373 554 H HN 0.258 nan 8.280 nan 0.000 0.497 555 L N -0.166 120.971 121.223 -0.143 0.000 1.990 555 L HA -0.213 4.127 4.340 -0.001 0.000 0.213 555 L C 1.983 178.754 176.870 -0.166 0.000 1.072 555 L CA 1.973 56.709 54.840 -0.173 0.000 0.755 555 L CB -0.845 41.126 42.059 -0.148 0.000 0.889 555 L HN 0.375 nan 8.230 nan 0.000 0.432 556 M N -0.593 118.914 119.600 -0.155 0.000 2.117 556 M HA -0.203 4.276 4.480 -0.001 0.000 0.262 556 M C 2.217 178.462 176.300 -0.092 0.000 1.065 556 M CA 1.625 56.866 55.300 -0.098 0.000 1.114 556 M CB -1.035 31.507 32.600 -0.097 0.000 1.361 556 M HN 0.329 nan 8.290 nan 0.000 0.408 557 K N 0.130 120.443 120.400 -0.145 0.000 2.026 557 K HA -0.087 4.232 4.320 -0.001 0.000 0.208 557 K C 2.123 178.666 176.600 -0.095 0.000 1.048 557 K CA 1.521 57.770 56.287 -0.063 0.000 0.929 557 K CB -0.349 32.120 32.500 -0.051 0.000 0.713 557 K HN 0.295 nan 8.250 nan 0.000 0.439 558 A N 1.166 123.872 122.820 -0.190 0.000 1.917 558 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 558 A C 2.407 179.940 177.584 -0.084 0.000 1.182 558 A CA 1.811 53.751 52.037 -0.161 0.000 0.633 558 A CB -0.728 18.141 19.000 -0.219 0.000 0.819 558 A HN 0.093 nan 8.150 nan 0.000 0.448 559 V N -0.772 119.101 119.914 -0.068 0.000 2.273 559 V HA -0.259 3.861 4.120 -0.001 0.000 0.242 559 V C 2.605 178.694 176.094 -0.008 0.000 1.035 559 V CA 2.107 64.388 62.300 -0.032 0.000 1.013 559 V CB -0.951 30.860 31.823 -0.020 0.000 0.652 559 V HN 0.625 nan 8.190 nan 0.000 0.452 560 Q N 0.249 120.055 119.800 0.009 0.000 2.135 560 Q HA -0.200 4.139 4.340 -0.001 0.000 0.204 560 Q C 1.880 177.891 176.000 0.018 0.000 0.981 560 Q CA 1.607 57.428 55.803 0.031 0.000 0.856 560 Q CB -0.215 28.564 28.738 0.068 0.000 0.902 560 Q HN 0.664 nan 8.270 nan 0.000 0.425 561 R N 0.821 121.324 120.500 0.006 0.000 3.541 561 R HA 0.108 4.447 4.340 -0.001 0.000 0.277 561 R C -0.478 175.819 176.300 -0.005 0.000 1.539 561 R CA 0.122 56.224 56.100 0.002 0.000 1.338 561 R CB 0.245 30.545 30.300 0.001 0.000 1.343 561 R HN -0.073 nan 8.270 nan 0.000 0.623 562 E N 1.700 121.898 120.200 -0.005 0.000 2.437 562 E HA 0.131 4.480 4.350 -0.001 0.000 0.238 562 E C -1.053 175.546 176.600 -0.003 0.000 0.969 562 E CA -0.448 55.947 56.400 -0.007 0.000 0.759 562 E CB 1.502 31.194 29.700 -0.013 0.000 1.283 562 E HN 0.276 nan 8.360 nan 0.000 0.416 563 S N 1.584 117.283 115.700 -0.001 0.000 2.593 563 S HA 0.300 4.769 4.470 -0.001 0.000 0.303 563 S C 0.364 174.963 174.600 -0.001 0.000 1.267 563 S CA 1.274 59.474 58.200 0.000 0.000 1.047 563 S CB 0.346 63.546 63.200 -0.000 0.000 0.777 563 S HN 0.809 nan 8.310 nan 0.000 0.498 564 G N 2.655 111.456 108.800 0.000 0.000 2.435 564 G HA2 0.091 4.051 3.960 -0.001 0.000 0.603 564 G HA3 0.091 4.051 3.960 -0.001 0.000 0.603 564 G C -0.703 174.198 174.900 0.001 0.000 1.496 564 G CA -0.676 44.424 45.100 -0.001 0.000 0.896 564 G HN 0.819 nan 8.290 nan 0.000 0.657 565 N N 0.695 119.395 118.700 0.001 0.000 2.229 565 N HA 0.145 4.885 4.740 -0.001 0.000 0.242 565 N C 1.519 177.031 175.510 0.003 0.000 1.327 565 N CA 0.176 53.228 53.050 0.003 0.000 0.896 565 N CB 0.395 38.883 38.487 0.001 0.000 1.129 565 N HN 0.768 nan 8.380 nan 0.000 0.490 566 R N -0.492 120.011 120.500 0.005 0.000 2.105 566 R HA -0.146 4.193 4.340 -0.001 0.000 0.239 566 R C 1.913 178.211 176.300 -0.003 0.000 1.135 566 R CA 1.710 57.814 56.100 0.006 0.000 0.967 566 R CB -0.159 30.146 30.300 0.009 0.000 0.861 566 R HN 0.738 nan 8.270 nan 0.000 0.442 567 K N 0.158 120.555 120.400 -0.005 0.000 2.148 567 K HA -0.129 4.190 4.320 -0.001 0.000 0.204 567 K C 1.794 178.388 176.600 -0.011 0.000 1.050 567 K CA 1.125 57.406 56.287 -0.010 0.000 0.942 567 K CB 0.167 32.662 32.500 -0.010 0.000 0.724 567 K HN -0.032 nan 8.250 nan 0.000 0.446 568 K N 0.998 121.393 120.400 -0.008 0.000 2.031 568 K HA -0.089 4.230 4.320 -0.001 0.000 0.205 568 K C 1.996 178.590 176.600 -0.010 0.000 1.049 568 K CA 1.289 57.571 56.287 -0.009 0.000 0.939 568 K CB -0.049 32.447 32.500 -0.007 0.000 0.717 568 K HN 0.135 nan 8.250 nan 0.000 0.438 569 K N 0.751 121.147 120.400 -0.006 0.000 2.074 569 K HA -0.144 4.175 4.320 -0.001 0.000 0.209 569 K C 1.881 178.475 176.600 -0.009 0.000 1.048 569 K CA 1.442 57.725 56.287 -0.005 0.000 0.926 569 K CB -0.092 32.410 32.500 0.004 0.000 0.713 569 K HN 0.072 nan 8.250 nan 0.000 0.444 570 N N 0.995 119.689 118.700 -0.011 0.000 2.142 570 N HA -0.137 4.602 4.740 -0.001 0.000 0.186 570 N C 1.546 177.043 175.510 -0.022 0.000 1.023 570 N CA 1.167 54.206 53.050 -0.018 0.000 0.852 570 N CB -0.083 38.390 38.487 -0.024 0.000 0.998 570 N HN 0.281 nan 8.380 nan 0.000 0.424 571 E N 0.234 120.422 120.200 -0.020 0.000 2.110 571 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 571 E C 2.009 178.595 176.600 -0.023 0.000 0.988 571 E CA 0.840 57.226 56.400 -0.022 0.000 0.804 571 E CB 0.049 29.737 29.700 -0.019 0.000 0.745 571 E HN 0.133 nan 8.360 nan 0.000 0.458 572 R N 0.811 121.297 120.500 -0.022 0.000 2.073 572 R HA -0.146 4.194 4.340 -0.001 0.000 0.234 572 R C 2.219 178.501 176.300 -0.031 0.000 1.134 572 R CA 0.956 57.041 56.100 -0.026 0.000 0.952 572 R CB -0.647 29.639 30.300 -0.025 0.000 0.850 572 R HN 0.155 nan 8.270 nan 0.000 0.433 573 L N 0.921 122.127 121.223 -0.029 0.000 2.043 573 L HA -0.226 4.114 4.340 -0.001 0.000 0.212 573 L C 1.867 178.714 176.870 -0.039 0.000 1.075 573 L CA 1.968 56.788 54.840 -0.033 0.000 0.752 573 L CB -0.512 41.535 42.059 -0.021 0.000 0.891 573 L HN 0.347 nan 8.230 nan 0.000 0.432 574 Q N -1.092 118.687 119.800 -0.035 0.000 2.137 574 Q HA -0.034 4.306 4.340 -0.001 0.000 0.198 574 Q C 2.293 178.271 176.000 -0.036 0.000 0.960 574 Q CA 1.154 56.935 55.803 -0.037 0.000 0.847 574 Q CB -0.312 28.405 28.738 -0.035 0.000 0.915 574 Q HN 0.681 nan 8.270 nan 0.000 0.448 575 A N 1.161 123.961 122.820 -0.033 0.000 1.873 575 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 575 A C 2.040 179.604 177.584 -0.034 0.000 1.193 575 A CA 1.359 53.378 52.037 -0.030 0.000 0.629 575 A CB -0.759 18.225 19.000 -0.027 0.000 0.826 575 A HN 0.303 nan 8.150 nan 0.000 0.447 576 L N -0.984 120.215 121.223 -0.040 0.000 2.072 576 L HA -0.096 4.243 4.340 -0.001 0.000 0.205 576 L C 2.609 179.447 176.870 -0.054 0.000 1.079 576 L CA 0.719 55.532 54.840 -0.045 0.000 0.752 576 L CB -0.491 41.536 42.059 -0.054 0.000 0.906 576 L HN 0.370 nan 8.230 nan 0.000 0.436 577 L N -0.297 120.890 121.223 -0.060 0.000 2.017 577 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 577 L C 2.700 179.540 176.870 -0.051 0.000 1.073 577 L CA 1.482 56.280 54.840 -0.069 0.000 0.745 577 L CB -1.201 40.816 42.059 -0.070 0.000 0.894 577 L HN 0.324 nan 8.230 nan 0.000 0.432 578 G N -0.835 107.940 108.800 -0.041 0.000 2.503 578 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.221 578 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.221 578 G C 0.748 175.631 174.900 -0.028 0.000 1.131 578 G CA 0.662 45.742 45.100 -0.032 0.000 0.756 578 G HN 0.310 nan 8.290 nan 0.000 0.572 579 D N 0.234 120.616 120.400 -0.030 0.000 2.508 579 D HA 0.100 4.740 4.640 -0.001 0.000 0.224 579 D C 1.346 177.631 176.300 -0.026 0.000 1.171 579 D CA -0.350 53.635 54.000 -0.025 0.000 1.006 579 D CB -0.222 40.565 40.800 -0.022 0.000 1.073 579 D HN 0.048 nan 8.370 nan 0.000 0.513 580 N N 2.258 120.946 118.700 -0.021 0.000 2.188 580 N HA -0.154 4.585 4.740 -0.001 0.000 0.184 580 N C 1.227 176.728 175.510 -0.016 0.000 1.018 580 N CA 1.147 54.187 53.050 -0.018 0.000 0.858 580 N CB 0.255 38.737 38.487 -0.007 0.000 0.989 580 N HN 0.407 nan 8.380 nan 0.000 0.426 581 E N -0.166 120.026 120.200 -0.013 0.000 2.118 581 E HA -0.250 4.100 4.350 -0.001 0.000 0.195 581 E C 1.717 178.307 176.600 -0.016 0.000 0.992 581 E CA 1.164 57.557 56.400 -0.012 0.000 0.804 581 E CB -0.026 29.668 29.700 -0.010 0.000 0.741 581 E HN 0.270 nan 8.360 nan 0.000 0.458 582 K N 0.322 120.712 120.400 -0.017 0.000 1.980 582 K HA -0.048 4.271 4.320 -0.001 0.000 0.208 582 K C 1.704 178.290 176.600 -0.024 0.000 1.043 582 K CA 1.446 57.723 56.287 -0.016 0.000 0.938 582 K CB 0.157 32.651 32.500 -0.011 0.000 0.724 582 K HN -0.011 nan 8.250 nan 0.000 0.438 583 M N 0.209 119.787 119.600 -0.036 0.000 2.421 583 M HA 0.168 4.648 4.480 -0.001 0.000 0.258 583 M C -0.332 175.911 176.300 -0.096 0.000 1.122 583 M CA 0.330 55.594 55.300 -0.061 0.000 1.078 583 M CB -0.603 31.953 32.600 -0.072 0.000 1.380 583 M HN 0.155 nan 8.290 nan 0.000 0.499 584 N N 1.354 120.016 118.700 -0.064 0.000 2.714 584 N HA -0.190 4.550 4.740 -0.001 0.000 0.252 584 N C 0.225 175.688 175.510 -0.078 0.000 1.014 584 N CA 0.466 53.490 53.050 -0.044 0.000 0.735 584 N CB -1.799 36.674 38.487 -0.024 0.000 0.924 584 N HN 0.377 nan 8.380 nan 0.000 0.540 585 L N -2.271 118.890 121.223 -0.104 0.000 2.731 585 L HA 0.225 4.565 4.340 -0.001 0.000 0.240 585 L C 1.661 178.553 176.870 0.036 0.000 1.120 585 L CA 0.097 54.859 54.840 -0.130 0.000 0.913 585 L CB 0.323 42.199 42.059 -0.305 0.000 1.213 585 L HN 0.168 nan 8.230 nan 0.000 0.515 586 S N -0.876 114.834 115.700 0.017 0.000 2.371 586 S HA 0.053 4.523 4.470 -0.001 0.000 0.221 586 S C 0.309 174.941 174.600 0.053 0.000 1.036 586 S CA 0.768 58.981 58.200 0.021 0.000 0.965 586 S CB 0.209 63.409 63.200 -0.001 0.000 0.845 586 S HN 0.268 nan 8.310 nan 0.000 0.475 587 D N 0.996 121.432 120.400 0.060 0.000 2.575 587 D HA 0.475 5.115 4.640 -0.001 0.000 0.250 587 D C -0.786 175.560 176.300 0.076 0.000 1.279 587 D CA -0.099 53.937 54.000 0.059 0.000 0.925 587 D CB 2.115 42.934 40.800 0.032 0.000 1.261 587 D HN 0.203 nan 8.370 nan 0.000 0.567 588 V N -0.609 119.360 119.914 0.091 0.000 3.158 588 V HA 0.613 4.732 4.120 -0.001 0.000 0.311 588 V C -0.199 175.922 176.094 0.045 0.000 1.181 588 V CA -0.934 61.421 62.300 0.092 0.000 1.054 588 V CB 2.512 34.438 31.823 0.172 0.000 1.085 588 V HN 0.141 nan 8.190 nan 0.000 0.446 589 E N 1.651 121.870 120.200 0.031 0.000 2.316 589 E HA 0.312 4.661 4.350 -0.001 0.000 0.275 589 E C -0.355 176.237 176.600 -0.014 0.000 1.029 589 E CA -0.598 55.805 56.400 0.005 0.000 0.871 589 E CB 1.165 30.866 29.700 0.001 0.000 1.022 589 E HN 0.630 nan 8.360 nan 0.000 0.418 590 L N 4.249 125.456 121.223 -0.026 0.000 2.769 590 L HA -0.137 4.202 4.340 -0.001 0.000 0.293 590 L C 0.255 177.080 176.870 -0.075 0.000 1.224 590 L CA 1.185 55.995 54.840 -0.050 0.000 0.906 590 L CB -0.638 41.395 42.059 -0.043 0.000 1.193 590 L HN 0.445 nan 8.230 nan 0.000 0.488 591 I N 2.166 122.665 120.570 -0.119 0.000 2.994 591 I HA 0.619 4.789 4.170 -0.001 0.000 0.306 591 I C -2.739 173.261 176.117 -0.195 0.000 1.195 591 I CA -2.642 58.571 61.300 -0.145 0.000 1.001 591 I CB 2.333 40.242 38.000 -0.151 0.000 1.244 591 I HN 0.313 nan 8.210 nan 0.000 0.437 592 P HA 0.204 nan 4.420 nan 0.000 0.276 592 P C -0.654 176.458 177.300 -0.315 0.000 1.230 592 P CA -0.215 62.756 63.100 -0.215 0.000 0.776 592 P CB 0.664 32.270 31.700 -0.157 0.000 0.888 593 L N 7.526 128.491 121.223 -0.430 0.000 2.418 593 L HA 0.182 4.522 4.340 -0.001 0.000 0.274 593 L C -1.616 174.933 176.870 -0.534 0.000 1.135 593 L CA -1.548 52.904 54.840 -0.647 0.000 0.870 593 L CB 0.284 41.827 42.059 -0.860 0.000 1.154 593 L HN 0.338 nan 8.230 nan 0.000 0.462 594 P HA -0.188 nan 4.420 nan 0.000 0.218 594 P C 1.411 178.424 177.300 -0.478 0.000 1.148 594 P CA 0.856 63.700 63.100 -0.426 0.000 0.822 594 P CB 0.152 31.545 31.700 -0.512 0.000 0.784 595 L N -0.461 120.462 121.223 -0.499 0.000 2.056 595 L HA 0.005 4.344 4.340 -0.001 0.000 0.207 595 L C 0.849 177.621 176.870 -0.164 0.000 1.078 595 L CA 1.811 56.494 54.840 -0.262 0.000 0.749 595 L CB -0.627 41.277 42.059 -0.259 0.000 0.901 595 L HN -0.111 nan 8.230 nan 0.000 0.433 596 E N -1.587 118.425 120.200 -0.314 0.000 2.923 596 E HA 0.203 4.552 4.350 -0.001 0.000 0.266 596 E C -2.065 174.391 176.600 -0.239 0.000 1.157 596 E CA -1.518 54.772 56.400 -0.183 0.000 0.795 596 E CB 1.088 30.693 29.700 -0.159 0.000 1.454 596 E HN 0.037 nan 8.360 nan 0.000 0.386 597 P HA -0.211 nan 4.420 nan 0.000 0.218 597 P C 0.822 178.047 177.300 -0.125 0.000 1.148 597 P CA 1.089 64.081 63.100 -0.180 0.000 0.822 597 P CB 0.323 31.936 31.700 -0.145 0.000 0.784 598 Q N -0.840 118.918 119.800 -0.069 0.000 2.197 598 Q HA -0.080 4.259 4.340 -0.001 0.000 0.207 598 Q C 0.593 176.546 176.000 -0.079 0.000 0.984 598 Q CA 0.799 56.572 55.803 -0.049 0.000 0.869 598 Q CB -1.334 27.397 28.738 -0.011 0.000 0.906 598 Q HN 0.158 nan 8.270 nan 0.000 0.426 599 V N 1.880 121.713 119.914 -0.134 0.000 2.498 599 V HA 0.170 4.290 4.120 -0.001 0.000 0.279 599 V C 0.167 176.132 176.094 -0.215 0.000 1.048 599 V CA -0.544 61.657 62.300 -0.166 0.000 0.967 599 V CB 1.221 32.887 31.823 -0.261 0.000 0.988 599 V HN 0.107 nan 8.190 nan 0.000 0.473 600 K N 5.043 125.350 120.400 -0.155 0.000 2.207 600 K HA 0.739 5.058 4.320 -0.001 0.000 0.255 600 K C -0.833 175.683 176.600 -0.140 0.000 0.941 600 K CA -0.581 55.613 56.287 -0.155 0.000 0.825 600 K CB 2.637 35.077 32.500 -0.101 0.000 1.119 600 K HN 0.663 nan 8.250 nan 0.000 0.430 601 I N -2.148 118.324 120.570 -0.163 0.000 2.828 601 I HA 0.462 4.632 4.170 -0.001 0.000 0.302 601 I C 0.405 176.480 176.117 -0.071 0.000 1.101 601 I CA -0.671 60.568 61.300 -0.102 0.000 1.031 601 I CB 2.272 40.201 38.000 -0.117 0.000 1.231 601 I HN 0.457 nan 8.210 nan 0.000 0.427 602 R N 2.672 123.172 120.500 0.000 0.000 2.282 602 R HA 0.638 4.978 4.340 -0.001 0.000 0.195 602 R C 0.572 176.910 176.300 0.063 0.000 0.909 602 R CA 0.268 56.380 56.100 0.019 0.000 1.039 602 R CB 0.738 31.055 30.300 0.028 0.000 1.015 602 R HN 1.044 nan 8.270 nan 0.000 0.513 603 G N 0.502 109.358 108.800 0.094 0.000 2.356 603 G HA2 0.142 4.102 3.960 -0.001 0.000 0.266 603 G HA3 0.142 4.102 3.960 -0.001 0.000 0.266 603 G C -1.688 173.230 174.900 0.030 0.000 1.312 603 G CA -0.962 44.228 45.100 0.150 0.000 0.922 603 G HN -0.016 nan 8.290 nan 0.000 0.480 604 I N 0.762 121.312 120.570 -0.033 0.000 2.466 604 I HA 0.392 4.562 4.170 -0.001 0.000 0.289 604 I C -0.152 175.923 176.117 -0.070 0.000 1.026 604 I CA -0.753 60.435 61.300 -0.186 0.000 1.078 604 I CB 2.139 39.968 38.000 -0.284 0.000 1.249 604 I HN 0.365 nan 8.210 nan 0.000 0.429 605 I N 8.651 129.201 120.570 -0.033 0.000 2.680 605 I HA 0.012 4.182 4.170 -0.001 0.000 0.286 605 I C -1.347 174.750 176.117 -0.032 0.000 1.144 605 I CA -0.933 60.356 61.300 -0.018 0.000 1.370 605 I CB 0.284 38.279 38.000 -0.010 0.000 1.420 605 I HN 0.428 nan 8.210 nan 0.000 0.540 606 P HA -0.229 nan 4.420 nan 0.000 0.215 606 P C 1.354 178.629 177.300 -0.043 0.000 1.157 606 P CA 1.182 64.258 63.100 -0.041 0.000 0.868 606 P CB 0.037 31.715 31.700 -0.038 0.000 0.788 607 E N -0.186 119.983 120.200 -0.051 0.000 2.152 607 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 607 E C 1.162 177.718 176.600 -0.074 0.000 0.983 607 E CA 1.842 58.207 56.400 -0.059 0.000 0.818 607 E CB -1.462 28.201 29.700 -0.061 0.000 0.758 607 E HN 0.280 nan 8.360 nan 0.000 0.467 608 T N -1.144 113.352 114.554 -0.097 0.000 3.235 608 T HA 0.549 4.899 4.350 -0.001 0.000 0.251 608 T C 0.504 175.194 174.700 -0.016 0.000 1.060 608 T CA -0.034 61.979 62.100 -0.145 0.000 0.949 608 T CB 0.166 68.805 68.868 -0.381 0.000 1.020 608 T HN 0.322 nan 8.240 nan 0.000 0.564 609 A N 1.861 124.686 122.820 0.009 0.000 2.290 609 A HA 0.706 5.025 4.320 -0.001 0.000 0.310 609 A C 0.553 178.126 177.584 -0.018 0.000 1.202 609 A CA -0.573 51.484 52.037 0.033 0.000 0.837 609 A CB 0.642 19.647 19.000 0.008 0.000 1.139 609 A HN 0.624 nan 8.150 nan 0.000 0.509 610 T N -0.282 114.243 114.554 -0.048 0.000 2.812 610 T HA 0.697 5.047 4.350 -0.001 0.000 0.294 610 T C -0.693 173.946 174.700 -0.102 0.000 1.159 610 T CA -0.770 61.279 62.100 -0.085 0.000 1.008 610 T CB 0.777 69.573 68.868 -0.120 0.000 1.289 610 T HN 0.425 nan 8.240 nan 0.000 0.514 611 L N 1.338 122.518 121.223 -0.073 0.000 2.296 611 L HA 0.535 4.875 4.340 -0.001 0.000 0.286 611 L C -0.517 176.338 176.870 -0.025 0.000 1.023 611 L CA -1.057 53.782 54.840 -0.003 0.000 0.812 611 L CB 0.920 43.006 42.059 0.046 0.000 1.223 611 L HN 0.622 nan 8.230 nan 0.000 0.421 612 F N 2.056 122.030 119.950 0.041 0.000 2.563 612 F HA -0.050 4.476 4.527 -0.001 0.000 0.363 612 F C 1.547 177.366 175.800 0.031 0.000 1.123 612 F CA 0.187 58.212 58.000 0.042 0.000 1.307 612 F CB 0.513 39.544 39.000 0.051 0.000 1.115 612 F HN 0.498 nan 8.300 nan 0.000 0.592 613 K N 2.017 122.547 120.400 0.216 0.000 2.211 613 K HA -0.144 4.175 4.320 -0.001 0.000 0.204 613 K C 0.952 177.620 176.600 0.114 0.000 1.047 613 K CA 0.802 57.165 56.287 0.126 0.000 0.935 613 K CB -0.100 32.455 32.500 0.091 0.000 0.728 613 K HN 0.569 nan 8.250 nan 0.000 0.452 614 S N -0.437 115.347 115.700 0.139 0.000 2.806 614 S HA -0.142 4.327 4.470 -0.001 0.000 0.334 614 S C 1.302 175.937 174.600 0.058 0.000 1.226 614 S CA 0.205 58.451 58.200 0.076 0.000 1.017 614 S CB 0.539 63.766 63.200 0.045 0.000 0.712 614 S HN 0.415 nan 8.310 nan 0.000 0.491 615 A N 5.106 127.944 122.820 0.030 0.000 1.927 615 A HA -0.117 4.203 4.320 -0.001 0.000 0.220 615 A C 2.103 179.701 177.584 0.023 0.000 1.185 615 A CA 1.917 53.966 52.037 0.021 0.000 0.639 615 A CB -0.704 18.301 19.000 0.008 0.000 0.820 615 A HN 0.898 nan 8.150 nan 0.000 0.451 616 L N -0.942 120.292 121.223 0.019 0.000 2.610 616 L HA 0.098 4.438 4.340 -0.001 0.000 0.232 616 L C 0.296 177.191 176.870 0.042 0.000 1.149 616 L CA -0.146 54.703 54.840 0.015 0.000 0.872 616 L CB -0.324 41.729 42.059 -0.009 0.000 0.992 616 L HN 0.420 nan 8.230 nan 0.000 0.447 617 M N 0.181 119.822 119.600 0.068 0.000 2.460 617 M HA -0.163 4.316 4.480 -0.001 0.000 0.182 617 M C -2.201 174.177 176.300 0.130 0.000 0.903 617 M CA -0.183 55.180 55.300 0.105 0.000 0.555 617 M CB -1.704 30.943 32.600 0.080 0.000 1.106 617 M HN -0.030 nan 8.290 nan 0.000 0.867 618 P HA 0.467 nan 4.420 nan 0.000 0.274 618 P C -0.580 176.920 177.300 0.334 0.000 1.256 618 P CA -0.311 62.907 63.100 0.196 0.000 0.795 618 P CB 0.729 32.502 31.700 0.123 0.000 1.038 619 A N 0.714 123.729 122.820 0.325 0.000 2.330 619 A HA 0.411 4.731 4.320 -0.001 0.000 0.327 619 A C -0.347 177.420 177.584 0.305 0.000 1.155 619 A CA -0.601 51.600 52.037 0.275 0.000 0.803 619 A CB 0.460 19.606 19.000 0.244 0.000 1.208 619 A HN 0.548 nan 8.150 nan 0.000 0.477 620 Q N 2.090 121.951 119.800 0.102 0.000 2.274 620 Q HA 0.630 4.970 4.340 -0.001 0.000 0.256 620 Q C -1.716 174.256 176.000 -0.046 0.000 0.927 620 Q CA -0.209 55.575 55.803 -0.031 0.000 0.939 620 Q CB 0.608 29.123 28.738 -0.371 0.000 1.201 620 Q HN 0.714 nan 8.270 nan 0.000 0.426 621 L N 4.648 125.829 121.223 -0.070 0.000 2.406 621 L HA 0.455 4.794 4.340 -0.001 0.000 0.272 621 L C -1.199 175.593 176.870 -0.130 0.000 0.980 621 L CA -0.680 54.136 54.840 -0.040 0.000 0.831 621 L CB 1.413 43.469 42.059 -0.004 0.000 1.253 621 L HN 0.659 nan 8.230 nan 0.000 0.406 622 F N 2.880 122.791 119.950 -0.065 0.000 2.350 622 F HA 0.368 4.895 4.527 -0.001 0.000 0.365 622 F C 0.168 175.950 175.800 -0.030 0.000 1.122 622 F CA -0.191 57.813 58.000 0.008 0.000 1.139 622 F CB 0.505 39.490 39.000 -0.026 0.000 1.220 622 F HN 0.194 nan 8.300 nan 0.000 0.499 623 F N 3.113 123.164 119.950 0.167 0.000 2.456 623 F HA 0.227 4.754 4.527 -0.001 0.000 0.358 623 F C 0.811 176.672 175.800 0.101 0.000 1.095 623 F CA -0.541 57.515 58.000 0.093 0.000 1.216 623 F CB 0.674 39.671 39.000 -0.004 0.000 1.125 623 F HN 0.243 nan 8.300 nan 0.000 0.549 624 K N 2.938 123.457 120.400 0.199 0.000 2.336 624 K HA 0.126 4.446 4.320 -0.001 0.000 0.290 624 K C 0.329 177.003 176.600 0.124 0.000 1.067 624 K CA -0.240 56.130 56.287 0.138 0.000 0.962 624 K CB 0.033 32.581 32.500 0.081 0.000 1.008 624 K HN 0.676 nan 8.250 nan 0.000 0.467 625 T N -1.125 113.498 114.554 0.115 0.000 2.849 625 T HA 0.035 4.385 4.350 -0.001 0.000 0.284 625 T C 1.302 176.025 174.700 0.038 0.000 1.004 625 T CA -0.758 61.382 62.100 0.066 0.000 1.021 625 T CB 1.599 70.518 68.868 0.085 0.000 1.013 625 T HN 0.675 nan 8.240 nan 0.000 0.527 626 E N 1.074 121.280 120.200 0.010 0.000 2.023 626 E HA -0.264 4.086 4.350 -0.001 0.000 0.196 626 E C 1.571 178.179 176.600 0.014 0.000 1.003 626 E CA 1.967 58.368 56.400 0.003 0.000 0.809 626 E CB -0.355 29.337 29.700 -0.014 0.000 0.755 626 E HN 0.834 nan 8.360 nan 0.000 0.449 627 D N -0.687 119.724 120.400 0.018 0.000 2.200 627 D HA -0.215 4.425 4.640 -0.001 0.000 0.192 627 D C 1.552 177.868 176.300 0.026 0.000 1.008 627 D CA 1.760 55.773 54.000 0.022 0.000 0.872 627 D CB -0.524 40.293 40.800 0.029 0.000 0.923 627 D HN 0.543 nan 8.370 nan 0.000 0.447 628 G N -0.541 108.280 108.800 0.035 0.000 2.273 628 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.162 628 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.162 628 G C 0.582 175.512 174.900 0.049 0.000 1.006 628 G CA 0.309 45.431 45.100 0.036 0.000 0.704 628 G HN 0.771 nan 8.290 nan 0.000 0.487 629 G N 0.080 108.918 108.800 0.065 0.000 2.494 629 G HA2 0.648 4.608 3.960 -0.001 0.000 0.270 629 G HA3 0.648 4.608 3.960 -0.001 0.000 0.270 629 G C -0.080 174.894 174.900 0.123 0.000 1.423 629 G CA 0.150 45.301 45.100 0.086 0.000 1.055 629 G HN 1.036 nan 8.290 nan 0.000 0.536 630 K N -1.509 118.991 120.400 0.166 0.000 2.550 630 K HA 0.353 4.672 4.320 -0.001 0.000 0.252 630 K C -2.285 174.497 176.600 0.304 0.000 0.943 630 K CA -0.877 55.557 56.287 0.245 0.000 0.806 630 K CB 1.947 34.599 32.500 0.253 0.000 1.289 630 K HN 0.418 nan 8.250 nan 0.000 0.435 631 Y N 4.329 124.741 120.300 0.186 0.000 2.385 631 Y HA 0.321 4.870 4.550 -0.001 0.000 0.341 631 Y C -2.451 173.519 175.900 0.117 0.000 0.965 631 Y CA -1.814 56.365 58.100 0.132 0.000 1.180 631 Y CB 1.435 39.927 38.460 0.053 0.000 1.139 631 Y HN 0.525 nan 8.280 nan 0.000 0.502 632 P HA 0.393 nan 4.420 nan 0.000 0.284 632 P C -1.310 176.003 177.300 0.021 0.000 1.258 632 P CA -0.223 62.684 63.100 -0.321 0.000 0.824 632 P CB 2.632 33.907 31.700 -0.708 0.000 1.038 633 V N 2.138 122.067 119.914 0.025 0.000 3.147 633 V HA 0.399 4.518 4.120 -0.001 0.000 0.306 633 V C -0.238 176.031 176.094 0.291 0.000 1.209 633 V CA -0.749 61.726 62.300 0.291 0.000 1.023 633 V CB 2.487 34.581 31.823 0.450 0.000 1.059 633 V HN 0.374 nan 8.190 nan 0.000 0.435 634 I N 2.873 123.673 120.570 0.382 0.000 2.362 634 I HA 0.405 4.575 4.170 -0.001 0.000 0.289 634 I C -1.215 175.170 176.117 0.447 0.000 0.994 634 I CA -0.347 61.184 61.300 0.386 0.000 1.158 634 I CB 1.463 39.621 38.000 0.264 0.000 1.315 634 I HN 0.488 nan 8.210 nan 0.000 0.451 635 F N 7.383 127.494 119.950 0.269 0.000 2.415 635 F HA 0.452 4.978 4.527 -0.001 0.000 0.348 635 F C -0.335 175.524 175.800 0.098 0.000 1.119 635 F CA -0.500 57.593 58.000 0.156 0.000 1.069 635 F CB 0.808 39.892 39.000 0.139 0.000 1.124 635 F HN 0.275 nan 8.300 nan 0.000 0.472 636 K N 5.728 125.740 120.400 -0.648 0.000 2.358 636 K HA 0.237 4.557 4.320 -0.001 0.000 0.260 636 K C -1.312 174.964 176.600 -0.540 0.000 0.956 636 K CA -0.693 55.349 56.287 -0.409 0.000 0.834 636 K CB 1.786 34.158 32.500 -0.213 0.000 1.102 636 K HN 0.718 nan 8.250 nan 0.000 0.431 637 H N 0.280 119.117 119.070 -0.388 0.000 2.538 637 H HA 0.262 4.817 4.556 -0.001 0.000 0.353 637 H C 0.318 175.588 175.328 -0.096 0.000 1.109 637 H CA 0.280 56.181 56.048 -0.243 0.000 1.192 637 H CB 1.778 31.443 29.762 -0.160 0.000 1.555 637 H HN 0.920 nan 8.280 nan 0.000 0.518 638 G N 4.061 112.583 108.800 -0.463 0.000 2.248 638 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.263 638 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.263 638 G C -0.691 174.109 174.900 -0.167 0.000 1.082 638 G CA 0.478 45.386 45.100 -0.320 0.000 0.863 638 G HN 0.776 nan 8.290 nan 0.000 0.495 639 D N -0.454 119.858 120.400 -0.146 0.000 2.804 639 D HA 0.344 4.983 4.640 -0.001 0.000 0.209 639 D C -1.519 174.724 176.300 -0.094 0.000 1.314 639 D CA -0.542 53.397 54.000 -0.101 0.000 0.894 639 D CB 1.343 42.087 40.800 -0.093 0.000 1.615 639 D HN -0.040 nan 8.370 nan 0.000 0.571 640 D N 3.647 124.002 120.400 -0.074 0.000 2.316 640 D HA 0.182 4.822 4.640 -0.001 0.000 0.245 640 D C 0.900 177.177 176.300 -0.039 0.000 1.171 640 D CA -0.211 53.750 54.000 -0.065 0.000 0.856 640 D CB 1.017 41.783 40.800 -0.057 0.000 1.090 640 D HN 0.446 nan 8.370 nan 0.000 0.476 641 L N 3.770 124.975 121.223 -0.030 0.000 2.611 641 L HA 0.189 4.529 4.340 -0.001 0.000 0.229 641 L C 2.123 179.007 176.870 0.024 0.000 1.137 641 L CA -0.141 54.707 54.840 0.013 0.000 0.901 641 L CB 0.063 42.140 42.059 0.030 0.000 1.098 641 L HN 0.208 nan 8.230 nan 0.000 0.456 642 R N 0.347 120.845 120.500 -0.005 0.000 2.096 642 R HA -0.199 4.141 4.340 -0.001 0.000 0.235 642 R C 2.173 178.465 176.300 -0.014 0.000 1.127 642 R CA 1.333 57.423 56.100 -0.017 0.000 0.968 642 R CB -0.133 30.143 30.300 -0.040 0.000 0.861 642 R HN 0.393 nan 8.270 nan 0.000 0.440 643 Q N 1.108 120.910 119.800 0.003 0.000 2.046 643 Q HA -0.183 4.156 4.340 -0.001 0.000 0.200 643 Q C 0.905 176.937 176.000 0.053 0.000 0.975 643 Q CA 2.115 57.929 55.803 0.018 0.000 0.836 643 Q CB 0.123 28.878 28.738 0.027 0.000 0.896 643 Q HN 0.298 nan 8.270 nan 0.000 0.428 644 D N 0.012 120.476 120.400 0.107 0.000 2.178 644 D HA -0.194 4.446 4.640 -0.001 0.000 0.201 644 D C 1.696 178.056 176.300 0.099 0.000 0.980 644 D CA 1.019 55.128 54.000 0.182 0.000 0.842 644 D CB -0.108 40.849 40.800 0.263 0.000 0.948 644 D HN 0.325 nan 8.370 nan 0.000 0.472 645 Q N -0.206 119.633 119.800 0.065 0.000 2.124 645 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 645 Q C 1.889 177.869 176.000 -0.035 0.000 0.977 645 Q CA 0.765 56.594 55.803 0.044 0.000 0.850 645 Q CB -0.010 28.751 28.738 0.039 0.000 0.901 645 Q HN 0.264 nan 8.270 nan 0.000 0.429 646 L N 0.232 121.410 121.223 -0.074 0.000 2.044 646 L HA -0.135 4.204 4.340 -0.001 0.000 0.205 646 L C 1.992 178.768 176.870 -0.157 0.000 1.075 646 L CA 1.414 56.169 54.840 -0.142 0.000 0.747 646 L CB -0.588 41.376 42.059 -0.158 0.000 0.903 646 L HN 0.231 nan 8.230 nan 0.000 0.435 647 I N -0.361 120.119 120.570 -0.150 0.000 2.179 647 I HA -0.252 3.918 4.170 -0.001 0.000 0.242 647 I C 2.482 178.416 176.117 -0.305 0.000 1.088 647 I CA 1.043 62.184 61.300 -0.264 0.000 1.357 647 I CB -1.251 36.487 38.000 -0.437 0.000 1.051 647 I HN 0.247 nan 8.210 nan 0.000 0.409 648 L N 0.716 121.797 121.223 -0.238 0.000 2.127 648 L HA -0.215 4.125 4.340 -0.001 0.000 0.211 648 L C 2.598 179.376 176.870 -0.154 0.000 1.089 648 L CA 1.819 56.526 54.840 -0.223 0.000 0.757 648 L CB -1.249 40.706 42.059 -0.173 0.000 0.899 648 L HN 0.518 nan 8.230 nan 0.000 0.434 649 Q N -0.964 118.764 119.800 -0.119 0.000 2.245 649 Q HA -0.112 4.228 4.340 -0.001 0.000 0.201 649 Q C 1.943 177.877 176.000 -0.110 0.000 0.955 649 Q CA 1.101 56.842 55.803 -0.102 0.000 0.870 649 Q CB -0.029 28.654 28.738 -0.091 0.000 0.945 649 Q HN 0.283 nan 8.270 nan 0.000 0.461 650 I N 0.829 121.323 120.570 -0.126 0.000 2.353 650 I HA -0.152 4.017 4.170 -0.001 0.000 0.248 650 I C 2.287 178.361 176.117 -0.071 0.000 1.119 650 I CA 0.988 62.241 61.300 -0.078 0.000 1.417 650 I CB -0.769 37.208 38.000 -0.038 0.000 1.078 650 I HN 0.333 nan 8.210 nan 0.000 0.421 651 I N 0.436 120.931 120.570 -0.125 0.000 2.264 651 I HA -0.313 3.857 4.170 -0.001 0.000 0.248 651 I C 2.793 178.842 176.117 -0.113 0.000 1.111 651 I CA 1.492 62.715 61.300 -0.129 0.000 1.382 651 I CB -0.241 37.660 38.000 -0.165 0.000 1.060 651 I HN 0.224 nan 8.210 nan 0.000 0.418 652 S N 1.029 116.663 115.700 -0.110 0.000 2.357 652 S HA -0.164 4.306 4.470 -0.001 0.000 0.221 652 S C 2.059 176.603 174.600 -0.094 0.000 1.031 652 S CA 1.001 59.142 58.200 -0.097 0.000 0.982 652 S CB -0.344 62.801 63.200 -0.093 0.000 0.853 652 S HN 0.333 nan 8.310 nan 0.000 0.458 653 L N 1.774 122.945 121.223 -0.087 0.000 1.990 653 L HA -0.048 4.291 4.340 -0.001 0.000 0.213 653 L C 2.376 179.192 176.870 -0.090 0.000 1.072 653 L CA 2.278 57.069 54.840 -0.080 0.000 0.755 653 L CB -0.853 41.186 42.059 -0.034 0.000 0.889 653 L HN 0.421 nan 8.230 nan 0.000 0.432 654 M N -0.997 118.564 119.600 -0.065 0.000 2.175 654 M HA -0.188 4.291 4.480 -0.001 0.000 0.264 654 M C 1.988 178.241 176.300 -0.079 0.000 1.063 654 M CA 1.957 57.225 55.300 -0.054 0.000 1.119 654 M CB -0.569 32.023 32.600 -0.013 0.000 1.377 654 M HN 0.352 nan 8.290 nan 0.000 0.415 655 D N 0.662 121.006 120.400 -0.093 0.000 2.123 655 D HA -0.160 4.480 4.640 -0.001 0.000 0.196 655 D C 1.807 178.051 176.300 -0.093 0.000 0.992 655 D CA 1.491 55.435 54.000 -0.094 0.000 0.833 655 D CB 0.126 40.872 40.800 -0.090 0.000 0.954 655 D HN 0.208 nan 8.370 nan 0.000 0.455 656 K N -0.425 119.914 120.400 -0.103 0.000 2.155 656 K HA -0.019 4.301 4.320 -0.001 0.000 0.203 656 K C 2.281 178.798 176.600 -0.139 0.000 1.052 656 K CA 0.460 56.682 56.287 -0.109 0.000 0.948 656 K CB -0.013 32.418 32.500 -0.115 0.000 0.728 656 K HN 0.257 nan 8.250 nan 0.000 0.448 657 L N 0.848 121.956 121.223 -0.191 0.000 2.017 657 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 657 L C 2.354 179.131 176.870 -0.156 0.000 1.073 657 L CA 1.237 55.892 54.840 -0.308 0.000 0.745 657 L CB -0.485 41.275 42.059 -0.499 0.000 0.894 657 L HN 0.181 nan 8.230 nan 0.000 0.432 658 L N -0.750 120.409 121.223 -0.107 0.000 2.046 658 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 658 L C 2.840 179.632 176.870 -0.131 0.000 1.077 658 L CA 1.210 55.981 54.840 -0.113 0.000 0.747 658 L CB -0.511 41.501 42.059 -0.078 0.000 0.896 658 L HN 0.199 nan 8.230 nan 0.000 0.432 659 R N 0.444 120.886 120.500 -0.097 0.000 2.105 659 R HA -0.213 4.126 4.340 -0.001 0.000 0.239 659 R C 2.716 178.977 176.300 -0.066 0.000 1.135 659 R CA 1.950 58.004 56.100 -0.076 0.000 0.967 659 R CB -0.513 29.750 30.300 -0.061 0.000 0.861 659 R HN 0.361 nan 8.270 nan 0.000 0.442 660 K N 1.505 121.866 120.400 -0.064 0.000 2.044 660 K HA -0.180 4.140 4.320 -0.001 0.000 0.210 660 K C 1.560 178.152 176.600 -0.013 0.000 1.049 660 K CA 1.832 58.103 56.287 -0.027 0.000 0.927 660 K CB -0.589 31.905 32.500 -0.010 0.000 0.713 660 K HN 0.300 nan 8.250 nan 0.000 0.443 661 E N 0.023 120.194 120.200 -0.048 0.000 2.416 661 E HA 0.009 4.358 4.350 -0.001 0.000 0.189 661 E C 0.057 176.595 176.600 -0.103 0.000 1.091 661 E CA 0.277 56.630 56.400 -0.078 0.000 0.889 661 E CB -0.242 29.309 29.700 -0.248 0.000 1.015 661 E HN 0.619 nan 8.360 nan 0.000 0.479 662 N N -0.162 118.495 118.700 -0.072 0.000 2.909 662 N HA -0.203 4.536 4.740 -0.001 0.000 0.242 662 N C -0.749 174.726 175.510 -0.058 0.000 0.975 662 N CA 0.315 53.337 53.050 -0.046 0.000 0.921 662 N CB -0.980 37.498 38.487 -0.014 0.000 1.112 662 N HN 0.154 nan 8.380 nan 0.000 0.581 663 L N 1.329 122.486 121.223 -0.111 0.000 2.288 663 L HA 0.382 4.721 4.340 -0.001 0.000 0.283 663 L C -0.559 176.271 176.870 -0.066 0.000 1.072 663 L CA -0.452 54.335 54.840 -0.089 0.000 0.862 663 L CB 0.581 42.551 42.059 -0.148 0.000 1.245 663 L HN 0.091 nan 8.230 nan 0.000 0.432 664 D N 4.557 124.936 120.400 -0.035 0.000 2.441 664 D HA 0.112 4.752 4.640 -0.001 0.000 0.221 664 D C 0.533 176.827 176.300 -0.010 0.000 1.156 664 D CA -0.017 53.968 54.000 -0.024 0.000 0.896 664 D CB 0.598 41.391 40.800 -0.012 0.000 1.028 664 D HN 0.559 nan 8.370 nan 0.000 0.509 665 L N 3.629 124.841 121.223 -0.019 0.000 2.672 665 L HA 0.106 4.445 4.340 -0.001 0.000 0.236 665 L C 0.952 177.834 176.870 0.021 0.000 1.186 665 L CA -0.188 54.649 54.840 -0.005 0.000 0.977 665 L CB -0.327 41.714 42.059 -0.030 0.000 1.203 665 L HN 0.291 nan 8.230 nan 0.000 0.448 666 K N 0.164 120.581 120.400 0.028 0.000 3.071 666 K HA -0.183 4.137 4.320 -0.001 0.000 0.265 666 K C 0.011 176.674 176.600 0.107 0.000 1.060 666 K CA 0.625 56.951 56.287 0.064 0.000 0.767 666 K CB -2.061 30.491 32.500 0.087 0.000 1.241 666 K HN 0.392 nan 8.250 nan 0.000 0.486 667 L N -0.174 121.079 121.223 0.050 0.000 2.476 667 L HA 0.149 4.488 4.340 -0.001 0.000 0.255 667 L C 1.090 178.024 176.870 0.108 0.000 1.218 667 L CA 0.230 55.114 54.840 0.072 0.000 0.819 667 L CB 0.390 42.372 42.059 -0.130 0.000 1.119 667 L HN -0.016 nan 8.230 nan 0.000 0.485 668 T N 1.366 116.030 114.554 0.183 0.000 3.410 668 T HA 0.230 4.579 4.350 -0.001 0.000 0.328 668 T C -2.403 172.286 174.700 -0.019 0.000 1.567 668 T CA -0.723 61.365 62.100 -0.019 0.000 1.626 668 T CB 0.559 69.205 68.868 -0.369 0.000 0.939 668 T HN 0.380 nan 8.240 nan 0.000 0.656 669 P HA 0.150 nan 4.420 nan 0.000 0.244 669 P C -0.366 176.870 177.300 -0.107 0.000 1.769 669 P CA -0.491 62.538 63.100 -0.119 0.000 1.102 669 P CB -0.824 30.825 31.700 -0.084 0.000 1.937 670 Y N 0.438 120.746 120.300 0.013 0.000 2.480 670 Y HA 0.282 4.831 4.550 -0.001 0.000 0.338 670 Y C 0.592 176.544 175.900 0.087 0.000 1.220 670 Y CA -1.208 56.904 58.100 0.019 0.000 1.430 670 Y CB 0.227 38.681 38.460 -0.009 0.000 1.311 670 Y HN -0.044 nan 8.280 nan 0.000 0.575 671 K N 2.583 123.176 120.400 0.321 0.000 2.295 671 K HA 0.484 4.804 4.320 -0.001 0.000 0.270 671 K C -1.101 175.703 176.600 0.341 0.000 1.011 671 K CA -0.560 55.888 56.287 0.270 0.000 0.953 671 K CB 1.670 34.319 32.500 0.250 0.000 0.956 671 K HN 0.661 nan 8.250 nan 0.000 0.477 672 V N 3.676 123.757 119.914 0.279 0.000 2.655 672 V HA 0.269 4.389 4.120 -0.001 0.000 0.301 672 V C -1.334 174.911 176.094 0.251 0.000 1.082 672 V CA -0.903 61.564 62.300 0.279 0.000 0.899 672 V CB 1.914 33.900 31.823 0.271 0.000 1.014 672 V HN 0.596 nan 8.190 nan 0.000 0.429 673 L N 4.855 126.220 121.223 0.235 0.000 2.404 673 L HA 0.915 5.254 4.340 -0.001 0.000 0.272 673 L C 0.373 177.326 176.870 0.137 0.000 0.980 673 L CA -0.102 54.861 54.840 0.205 0.000 0.836 673 L CB 1.712 43.835 42.059 0.106 0.000 1.238 673 L HN 0.784 nan 8.230 nan 0.000 0.408 674 A N 2.700 125.596 122.820 0.128 0.000 2.524 674 A HA 0.390 4.710 4.320 -0.001 0.000 0.250 674 A C 1.032 178.640 177.584 0.039 0.000 1.078 674 A CA 0.583 52.653 52.037 0.055 0.000 0.761 674 A CB -0.184 18.848 19.000 0.053 0.000 1.012 674 A HN 0.902 nan 8.150 nan 0.000 0.500 675 T N -0.450 114.085 114.554 -0.032 0.000 3.060 675 T HA 0.404 4.754 4.350 -0.001 0.000 0.249 675 T C 0.603 175.340 174.700 0.062 0.000 1.079 675 T CA 0.496 62.614 62.100 0.030 0.000 1.013 675 T CB -0.188 68.734 68.868 0.091 0.000 0.975 675 T HN 1.260 nan 8.240 nan 0.000 0.518 676 S N 0.513 116.066 115.700 -0.245 0.000 2.656 676 S HA 0.350 4.819 4.470 -0.001 0.000 0.265 676 S C 0.746 175.197 174.600 -0.249 0.000 1.132 676 S CA 0.129 58.138 58.200 -0.318 0.000 0.819 676 S CB 0.788 63.514 63.200 -0.791 0.000 1.119 676 S HN 0.288 nan 8.310 nan 0.000 0.476 677 T N -0.293 114.161 114.554 -0.167 0.000 3.118 677 T HA 0.276 4.626 4.350 -0.001 0.000 0.260 677 T C 0.914 175.532 174.700 -0.136 0.000 1.139 677 T CA 0.787 62.816 62.100 -0.117 0.000 1.085 677 T CB -0.352 68.472 68.868 -0.072 0.000 0.934 677 T HN 0.547 nan 8.240 nan 0.000 0.518 678 K N -0.052 120.226 120.400 -0.203 0.000 2.402 678 K HA 0.235 4.554 4.320 -0.001 0.000 0.203 678 K C -0.278 176.248 176.600 -0.123 0.000 1.077 678 K CA -0.238 55.957 56.287 -0.153 0.000 1.051 678 K CB 0.676 33.123 32.500 -0.088 0.000 0.907 678 K HN 0.776 nan 8.250 nan 0.000 0.554 679 H N -2.961 116.052 119.070 -0.095 0.000 2.967 679 H HA 0.723 5.279 4.556 -0.001 0.000 0.318 679 H C -0.465 174.732 175.328 -0.218 0.000 1.375 679 H CA -1.147 54.782 56.048 -0.197 0.000 1.132 679 H CB 1.365 31.067 29.762 -0.100 0.000 1.848 679 H HN 0.033 nan 8.280 nan 0.000 0.524 680 G N -0.325 108.337 108.800 -0.231 0.000 2.387 680 G HA2 0.418 4.378 3.960 -0.001 0.000 0.294 680 G HA3 0.418 4.378 3.960 -0.001 0.000 0.294 680 G C -2.058 172.717 174.900 -0.208 0.000 1.509 680 G CA -1.104 43.890 45.100 -0.177 0.000 0.806 680 G HN 0.378 nan 8.290 nan 0.000 0.546 681 F N -0.047 120.010 119.950 0.177 0.000 2.450 681 F HA 0.898 5.424 4.527 -0.001 0.000 0.328 681 F C 0.680 176.578 175.800 0.164 0.000 1.068 681 F CA -0.766 57.370 58.000 0.227 0.000 1.007 681 F CB 2.253 41.356 39.000 0.173 0.000 1.251 681 F HN 0.485 nan 8.300 nan 0.000 0.492 682 M N 1.704 121.558 119.600 0.424 0.000 2.333 682 M HA 0.201 4.681 4.480 -0.001 0.000 0.286 682 M C -1.518 174.958 176.300 0.293 0.000 1.113 682 M CA -0.522 54.962 55.300 0.307 0.000 0.959 682 M CB 1.929 34.656 32.600 0.212 0.000 1.776 682 M HN 0.725 nan 8.290 nan 0.000 0.492 683 Q N 3.485 123.453 119.800 0.280 0.000 2.297 683 Q HA 0.220 4.560 4.340 -0.001 0.000 0.267 683 Q C -1.598 174.475 176.000 0.121 0.000 1.006 683 Q CA -0.145 55.808 55.803 0.249 0.000 0.896 683 Q CB 0.746 29.641 28.738 0.261 0.000 1.186 683 Q HN 0.628 nan 8.270 nan 0.000 0.392 684 F N 5.974 125.917 119.950 -0.011 0.000 2.427 684 F HA 0.347 4.874 4.527 -0.001 0.000 0.352 684 F C -0.757 175.004 175.800 -0.065 0.000 1.100 684 F CA -0.614 57.361 58.000 -0.042 0.000 1.191 684 F CB 0.577 39.557 39.000 -0.033 0.000 1.128 684 F HN 0.450 nan 8.300 nan 0.000 0.533 685 I N 6.532 126.664 120.570 -0.731 0.000 2.382 685 I HA 0.142 4.311 4.170 -0.001 0.000 0.285 685 I C -0.125 175.595 176.117 -0.660 0.000 1.007 685 I CA -0.624 60.373 61.300 -0.505 0.000 1.142 685 I CB 1.335 39.153 38.000 -0.304 0.000 1.289 685 I HN 0.616 nan 8.210 nan 0.000 0.453 686 Q N 5.324 124.895 119.800 -0.381 0.000 2.275 686 Q HA 0.066 4.405 4.340 -0.001 0.000 0.293 686 Q C -0.234 175.745 176.000 -0.034 0.000 1.129 686 Q CA 0.543 56.273 55.803 -0.122 0.000 0.971 686 Q CB 0.521 29.324 28.738 0.108 0.000 1.098 686 Q HN 0.891 nan 8.270 nan 0.000 0.386 687 S N 1.551 117.229 115.700 -0.036 0.000 2.790 687 S HA 0.767 5.236 4.470 -0.001 0.000 0.292 687 S C -1.081 173.502 174.600 -0.028 0.000 1.197 687 S CA -0.880 57.333 58.200 0.020 0.000 0.851 687 S CB 1.639 64.880 63.200 0.068 0.000 1.217 687 S HN 0.316 nan 8.310 nan 0.000 0.526 688 V N 1.156 121.005 119.914 -0.109 0.000 2.711 688 V HA 0.530 4.649 4.120 -0.001 0.000 0.304 688 V C -2.989 172.952 176.094 -0.255 0.000 1.097 688 V CA -1.667 60.536 62.300 -0.162 0.000 0.906 688 V CB 1.645 33.330 31.823 -0.230 0.000 1.015 688 V HN 0.797 nan 8.190 nan 0.000 0.427 689 P HA 0.182 nan 4.420 nan 0.000 0.271 689 P C 1.018 178.165 177.300 -0.256 0.000 1.218 689 P CA 0.010 62.966 63.100 -0.240 0.000 0.780 689 P CB 0.948 32.550 31.700 -0.164 0.000 0.901 690 V N 2.208 121.963 119.914 -0.264 0.000 2.490 690 V HA -0.269 3.851 4.120 -0.001 0.000 0.250 690 V C 2.347 178.330 176.094 -0.185 0.000 1.061 690 V CA 2.437 64.587 62.300 -0.251 0.000 1.064 690 V CB -1.728 29.965 31.823 -0.216 0.000 0.670 690 V HN 0.650 nan 8.190 nan 0.000 0.461 691 A N 0.229 122.964 122.820 -0.141 0.000 1.883 691 A HA -0.316 4.003 4.320 -0.001 0.000 0.217 691 A C 2.326 179.853 177.584 -0.096 0.000 1.186 691 A CA 2.264 54.244 52.037 -0.095 0.000 0.624 691 A CB -0.487 18.475 19.000 -0.063 0.000 0.822 691 A HN 0.647 nan 8.150 nan 0.000 0.444 692 E N -0.471 119.663 120.200 -0.109 0.000 2.107 692 E HA -0.076 4.273 4.350 -0.001 0.000 0.191 692 E C 1.827 178.363 176.600 -0.107 0.000 0.982 692 E CA 1.020 57.367 56.400 -0.088 0.000 0.809 692 E CB -0.101 29.553 29.700 -0.076 0.000 0.756 692 E HN 0.294 nan 8.360 nan 0.000 0.459 693 V N 1.052 120.849 119.914 -0.194 0.000 2.255 693 V HA -0.284 3.835 4.120 -0.001 0.000 0.247 693 V C 2.384 178.404 176.094 -0.122 0.000 1.051 693 V CA 1.492 63.647 62.300 -0.241 0.000 1.018 693 V CB -0.508 31.028 31.823 -0.478 0.000 0.641 693 V HN 0.303 nan 8.190 nan 0.000 0.445 694 L N 0.335 121.484 121.223 -0.124 0.000 2.043 694 L HA -0.231 4.108 4.340 -0.001 0.000 0.212 694 L C 2.218 179.059 176.870 -0.047 0.000 1.075 694 L CA 2.444 57.236 54.840 -0.079 0.000 0.752 694 L CB -0.955 41.057 42.059 -0.079 0.000 0.891 694 L HN 0.473 nan 8.230 nan 0.000 0.432 695 D N -1.684 118.688 120.400 -0.046 0.000 2.144 695 D HA -0.154 4.486 4.640 -0.001 0.000 0.200 695 D C 2.108 178.402 176.300 -0.010 0.000 0.978 695 D CA 1.600 55.584 54.000 -0.027 0.000 0.833 695 D CB 0.170 40.954 40.800 -0.027 0.000 0.961 695 D HN 0.450 nan 8.370 nan 0.000 0.470 696 T N -3.020 111.533 114.554 -0.001 0.000 3.010 696 T HA 0.082 4.431 4.350 -0.001 0.000 0.252 696 T C 1.521 176.246 174.700 0.042 0.000 1.047 696 T CA 0.359 62.475 62.100 0.028 0.000 1.140 696 T CB 0.032 68.933 68.868 0.054 0.000 0.885 696 T HN -0.055 nan 8.240 nan 0.000 0.464 697 E N 0.543 120.771 120.200 0.047 0.000 2.447 697 E HA 0.319 4.669 4.350 -0.001 0.000 0.204 697 E C 1.755 178.366 176.600 0.018 0.000 0.977 697 E CA 0.735 57.169 56.400 0.057 0.000 0.950 697 E CB 0.655 30.437 29.700 0.136 0.000 0.975 697 E HN 0.663 nan 8.360 nan 0.000 0.496 698 G N 1.790 110.588 108.800 -0.003 0.000 2.317 698 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.227 698 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.227 698 G C 0.451 175.334 174.900 -0.028 0.000 1.042 698 G CA 0.519 45.609 45.100 -0.015 0.000 0.623 698 G HN 0.597 nan 8.290 nan 0.000 0.509 699 S N -1.125 114.556 115.700 -0.032 0.000 2.567 699 S HA 0.666 5.135 4.470 -0.001 0.000 0.270 699 S C 0.913 175.456 174.600 -0.095 0.000 1.152 699 S CA -0.122 58.043 58.200 -0.057 0.000 0.835 699 S CB 0.831 64.009 63.200 -0.036 0.000 1.115 699 S HN 0.523 nan 8.310 nan 0.000 0.459 700 I N 1.292 121.762 120.570 -0.167 0.000 2.194 700 I HA -0.261 3.908 4.170 -0.001 0.000 0.246 700 I C 2.719 178.627 176.117 -0.348 0.000 1.093 700 I CA 1.616 62.712 61.300 -0.341 0.000 1.355 700 I CB -0.559 37.223 38.000 -0.363 0.000 1.046 700 I HN 0.733 nan 8.210 nan 0.000 0.413 701 Q N 0.340 120.055 119.800 -0.141 0.000 2.119 701 Q HA -0.164 4.175 4.340 -0.001 0.000 0.201 701 Q C 2.019 178.029 176.000 0.017 0.000 0.972 701 Q CA 1.149 56.945 55.803 -0.012 0.000 0.847 701 Q CB -0.196 28.557 28.738 0.024 0.000 0.903 701 Q HN 0.520 nan 8.270 nan 0.000 0.433 702 N N 0.810 119.511 118.700 0.000 0.000 2.069 702 N HA -0.172 4.567 4.740 -0.001 0.000 0.191 702 N C 1.432 176.966 175.510 0.040 0.000 1.031 702 N CA 1.005 54.063 53.050 0.014 0.000 0.852 702 N CB -0.574 37.920 38.487 0.012 0.000 1.018 702 N HN 0.164 nan 8.380 nan 0.000 0.423 703 F N 1.090 120.974 119.950 -0.109 0.000 2.043 703 F HA -0.236 4.290 4.527 -0.001 0.000 0.297 703 F C 1.941 177.786 175.800 0.075 0.000 1.121 703 F CA 1.496 59.465 58.000 -0.053 0.000 1.199 703 F CB -0.562 38.305 39.000 -0.222 0.000 0.968 703 F HN -0.096 nan 8.300 nan 0.000 0.478 704 F N 0.584 120.557 119.950 0.038 0.000 2.126 704 F HA -0.138 4.389 4.527 -0.001 0.000 0.299 704 F C 2.692 178.443 175.800 -0.082 0.000 1.096 704 F CA 1.628 59.590 58.000 -0.063 0.000 1.255 704 F CB -1.390 37.597 39.000 -0.022 0.000 0.997 704 F HN -0.040 nan 8.300 nan 0.000 0.479 705 R N 0.359 120.925 120.500 0.110 0.000 2.152 705 R HA -0.166 4.174 4.340 -0.001 0.000 0.232 705 R C 2.269 178.532 176.300 -0.062 0.000 1.117 705 R CA 1.338 57.452 56.100 0.024 0.000 0.981 705 R CB -0.126 30.181 30.300 0.011 0.000 0.870 705 R HN 0.260 nan 8.270 nan 0.000 0.451 706 K N -0.977 119.335 120.400 -0.146 0.000 2.098 706 K HA -0.106 4.213 4.320 -0.001 0.000 0.203 706 K C 0.929 177.238 176.600 -0.484 0.000 1.051 706 K CA 1.161 57.242 56.287 -0.343 0.000 0.957 706 K CB 0.119 32.332 32.500 -0.477 0.000 0.738 706 K HN 0.180 nan 8.250 nan 0.000 0.447 707 Y N -0.944 119.240 120.300 -0.193 0.000 2.449 707 Y HA 0.343 4.892 4.550 -0.001 0.000 0.254 707 Y C 0.489 176.334 175.900 -0.091 0.000 1.140 707 Y CA -0.009 57.987 58.100 -0.172 0.000 1.272 707 Y CB 1.344 39.615 38.460 -0.314 0.000 1.114 707 Y HN 0.122 nan 8.280 nan 0.000 0.525 708 A N 0.411 123.260 122.820 0.048 0.000 3.165 708 A HA 0.322 4.641 4.320 -0.001 0.000 0.212 708 A C -2.838 174.755 177.584 0.014 0.000 0.935 708 A CA -0.948 51.111 52.037 0.037 0.000 1.100 708 A CB -0.303 18.720 19.000 0.038 0.000 1.260 708 A HN -0.117 nan 8.150 nan 0.000 0.532 709 P HA 0.360 nan 4.420 nan 0.000 0.272 709 P C -0.070 177.229 177.300 -0.003 0.000 1.240 709 P CA 0.157 63.253 63.100 -0.007 0.000 0.791 709 P CB 1.381 33.066 31.700 -0.024 0.000 0.978 710 S N -0.350 115.350 115.700 -0.001 0.000 2.392 710 S HA 0.117 4.586 4.470 -0.001 0.000 0.246 710 S C 0.737 175.338 174.600 0.002 0.000 0.999 710 S CA -0.412 57.788 58.200 0.000 0.000 1.059 710 S CB 0.286 63.487 63.200 0.001 0.000 1.194 710 S HN 0.413 nan 8.310 nan 0.000 0.421 711 E N 3.120 123.320 120.200 0.000 0.000 2.113 711 E HA -0.197 4.153 4.350 -0.001 0.000 0.210 711 E C 1.068 177.670 176.600 0.005 0.000 1.040 711 E CA 2.163 58.563 56.400 0.001 0.000 0.847 711 E CB 0.067 29.767 29.700 0.001 0.000 0.755 711 E HN 0.630 nan 8.360 nan 0.000 0.459 712 N N -0.250 118.453 118.700 0.005 0.000 2.383 712 N HA 0.096 4.836 4.740 -0.001 0.000 0.192 712 N C 0.040 175.557 175.510 0.010 0.000 1.141 712 N CA 0.724 53.779 53.050 0.008 0.000 0.851 712 N CB 0.571 39.062 38.487 0.008 0.000 0.976 712 N HN 0.131 nan 8.380 nan 0.000 0.465 713 G N 1.151 109.957 108.800 0.010 0.000 2.528 713 G HA2 0.344 4.304 3.960 -0.001 0.000 0.289 713 G HA3 0.344 4.304 3.960 -0.001 0.000 0.289 713 G C -2.521 172.389 174.900 0.018 0.000 1.192 713 G CA -1.041 44.066 45.100 0.011 0.000 0.921 713 G HN -0.042 nan 8.290 nan 0.000 0.512 714 P HA 0.058 nan 4.420 nan 0.000 0.266 714 P C -0.071 177.250 177.300 0.035 0.000 1.215 714 P CA 0.218 63.337 63.100 0.033 0.000 0.763 714 P CB 0.361 32.086 31.700 0.043 0.000 0.806 715 N N 2.568 121.289 118.700 0.034 0.000 2.708 715 N HA -0.235 4.505 4.740 -0.001 0.000 0.251 715 N C 0.944 176.472 175.510 0.031 0.000 1.123 715 N CA 1.385 54.456 53.050 0.034 0.000 0.739 715 N CB -1.391 37.123 38.487 0.046 0.000 1.113 715 N HN 0.850 nan 8.380 nan 0.000 0.561 716 G N -1.532 107.282 108.800 0.024 0.000 2.175 716 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.244 716 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.244 716 G C 0.028 174.940 174.900 0.019 0.000 0.982 716 G CA 0.253 45.363 45.100 0.017 0.000 0.641 716 G HN 0.408 nan 8.290 nan 0.000 0.527 717 I N 1.538 122.123 120.570 0.023 0.000 2.378 717 I HA 0.492 4.661 4.170 -0.001 0.000 0.291 717 I C 1.080 177.191 176.117 -0.011 0.000 0.992 717 I CA -0.755 60.554 61.300 0.016 0.000 1.154 717 I CB 1.922 39.940 38.000 0.030 0.000 1.315 717 I HN 0.131 nan 8.210 nan 0.000 0.448 718 S N 4.446 120.134 115.700 -0.020 0.000 3.332 718 S HA -0.144 4.325 4.470 -0.001 0.000 0.395 718 S C 1.442 176.016 174.600 -0.042 0.000 1.180 718 S CA 0.394 58.576 58.200 -0.029 0.000 0.985 718 S CB 0.334 63.512 63.200 -0.036 0.000 0.694 718 S HN 0.787 nan 8.310 nan 0.000 0.502 719 A N 4.481 127.290 122.820 -0.018 0.000 2.019 719 A HA -0.077 4.243 4.320 -0.001 0.000 0.219 719 A C 2.062 179.638 177.584 -0.014 0.000 1.164 719 A CA 1.579 53.611 52.037 -0.009 0.000 0.644 719 A CB -0.461 18.543 19.000 0.007 0.000 0.805 719 A HN 0.961 nan 8.150 nan 0.000 0.449 720 E N -0.334 119.854 120.200 -0.020 0.000 2.046 720 E HA -0.099 4.250 4.350 -0.001 0.000 0.190 720 E C 1.954 178.529 176.600 -0.042 0.000 0.982 720 E CA 1.194 57.584 56.400 -0.016 0.000 0.800 720 E CB -0.069 29.627 29.700 -0.007 0.000 0.756 720 E HN 0.338 nan 8.360 nan 0.000 0.449 721 V N 1.241 121.097 119.914 -0.097 0.000 2.287 721 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 721 V C 2.452 178.388 176.094 -0.265 0.000 1.053 721 V CA 1.981 64.152 62.300 -0.214 0.000 1.027 721 V CB -0.429 31.187 31.823 -0.345 0.000 0.646 721 V HN 0.381 nan 8.190 nan 0.000 0.447 722 M N 0.688 120.164 119.600 -0.206 0.000 2.159 722 M HA -0.140 4.340 4.480 -0.001 0.000 0.263 722 M C 1.720 178.056 176.300 0.060 0.000 1.063 722 M CA 2.157 57.404 55.300 -0.088 0.000 1.110 722 M CB -0.839 31.743 32.600 -0.029 0.000 1.374 722 M HN 0.425 nan 8.290 nan 0.000 0.411 723 D N -1.154 119.266 120.400 0.034 0.000 2.097 723 D HA -0.158 4.481 4.640 -0.001 0.000 0.195 723 D C 1.566 177.913 176.300 0.079 0.000 0.989 723 D CA 2.097 56.133 54.000 0.060 0.000 0.827 723 D CB -0.173 40.650 40.800 0.038 0.000 0.966 723 D HN 0.423 nan 8.370 nan 0.000 0.456 724 T N -0.946 113.646 114.554 0.063 0.000 2.665 724 T HA -0.227 4.123 4.350 -0.001 0.000 0.268 724 T C 1.627 176.425 174.700 0.164 0.000 1.035 724 T CA 1.534 63.690 62.100 0.094 0.000 1.151 724 T CB -0.739 68.174 68.868 0.076 0.000 0.862 724 T HN 0.344 nan 8.240 nan 0.000 0.438 725 Y N 1.547 121.862 120.300 0.026 0.000 2.145 725 Y HA -0.174 4.376 4.550 -0.001 0.000 0.286 725 Y C 2.347 178.346 175.900 0.166 0.000 1.145 725 Y CA 0.955 59.124 58.100 0.115 0.000 1.148 725 Y CB -0.440 38.070 38.460 0.083 0.000 0.981 725 Y HN -0.043 nan 8.280 nan 0.000 0.507 726 V N 0.823 120.831 119.914 0.156 0.000 2.255 726 V HA -0.358 3.761 4.120 -0.001 0.000 0.247 726 V C 2.266 178.430 176.094 0.117 0.000 1.051 726 V CA 2.437 64.806 62.300 0.115 0.000 1.018 726 V CB -0.709 31.221 31.823 0.179 0.000 0.641 726 V HN 0.331 nan 8.190 nan 0.000 0.445 727 K N 0.727 121.182 120.400 0.093 0.000 2.020 727 K HA -0.208 4.112 4.320 -0.001 0.000 0.212 727 K C 2.439 179.087 176.600 0.080 0.000 1.050 727 K CA 2.039 58.367 56.287 0.067 0.000 0.929 727 K CB -0.420 32.116 32.500 0.059 0.000 0.714 727 K HN 0.643 nan 8.250 nan 0.000 0.443 728 S N 0.016 115.783 115.700 0.112 0.000 2.406 728 S HA -0.127 4.342 4.470 -0.001 0.000 0.228 728 S C 2.283 177.038 174.600 0.258 0.000 1.020 728 S CA 0.986 59.306 58.200 0.199 0.000 0.965 728 S CB -0.628 62.736 63.200 0.273 0.000 0.798 728 S HN 0.340 nan 8.310 nan 0.000 0.488 729 C N 2.142 121.502 119.300 0.101 0.000 2.413 729 C HA 0.089 4.548 4.460 -0.001 0.000 0.277 729 C C 3.364 178.567 174.990 0.356 0.000 1.228 729 C CA 0.925 60.032 59.018 0.149 0.000 1.731 729 C CB -1.684 25.979 27.740 -0.129 0.000 2.042 729 C HN 0.774 nan 8.230 nan 0.000 0.468 730 A N 0.370 123.353 122.820 0.271 0.000 1.933 730 A HA 0.074 4.394 4.320 -0.001 0.000 0.218 730 A C 2.321 179.887 177.584 -0.030 0.000 1.175 730 A CA 2.101 54.098 52.037 -0.067 0.000 0.628 730 A CB -1.191 17.640 19.000 -0.282 0.000 0.814 730 A HN 0.580 nan 8.150 nan 0.000 0.444 731 G N -1.267 107.542 108.800 0.015 0.000 2.511 731 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.216 731 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.216 731 G C 1.427 176.270 174.900 -0.095 0.000 1.218 731 G CA 1.243 46.301 45.100 -0.071 0.000 0.788 731 G HN 0.501 nan 8.290 nan 0.000 0.560 732 Y N 0.041 120.410 120.300 0.115 0.000 2.315 732 Y HA -0.132 4.418 4.550 -0.001 0.000 0.288 732 Y C 3.045 178.975 175.900 0.050 0.000 1.154 732 Y CA 0.864 59.029 58.100 0.108 0.000 1.229 732 Y CB -0.671 37.953 38.460 0.273 0.000 0.980 732 Y HN 0.341 nan 8.280 nan 0.000 0.540 733 C N -1.097 118.337 119.300 0.224 0.000 2.453 733 C HA -0.102 4.357 4.460 -0.001 0.000 0.277 733 C C 2.650 177.699 174.990 0.098 0.000 1.262 733 C CA 1.139 60.259 59.018 0.170 0.000 1.718 733 C CB -1.218 26.634 27.740 0.186 0.000 2.031 733 C HN 0.334 nan 8.230 nan 0.000 0.480 734 V N 1.204 121.149 119.914 0.052 0.000 2.358 734 V HA -0.160 3.959 4.120 -0.001 0.000 0.246 734 V C 2.343 178.538 176.094 0.169 0.000 1.047 734 V CA 2.352 64.711 62.300 0.098 0.000 1.035 734 V CB -0.587 31.296 31.823 0.100 0.000 0.658 734 V HN 0.578 nan 8.190 nan 0.000 0.452 735 I N 0.890 121.507 120.570 0.078 0.000 2.202 735 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 735 I C 2.720 178.853 176.117 0.026 0.000 1.091 735 I CA 2.038 63.358 61.300 0.034 0.000 1.368 735 I CB -0.672 37.294 38.000 -0.058 0.000 1.058 735 I HN 0.490 nan 8.210 nan 0.000 0.410 736 T N -1.550 113.025 114.554 0.035 0.000 2.915 736 T HA -0.254 4.095 4.350 -0.001 0.000 0.269 736 T C 1.859 176.587 174.700 0.046 0.000 1.071 736 T CA 1.006 63.113 62.100 0.012 0.000 1.132 736 T CB -0.797 68.026 68.868 -0.076 0.000 0.878 736 T HN 0.437 nan 8.240 nan 0.000 0.479 737 Y N 2.021 122.301 120.300 -0.033 0.000 2.181 737 Y HA 0.008 4.558 4.550 -0.001 0.000 0.288 737 Y C 1.900 177.759 175.900 -0.068 0.000 1.146 737 Y CA 0.826 58.899 58.100 -0.044 0.000 1.164 737 Y CB -0.432 37.989 38.460 -0.066 0.000 0.982 737 Y HN 0.224 nan 8.280 nan 0.000 0.515 738 I N -0.188 120.202 120.570 -0.299 0.000 2.235 738 I HA -0.258 3.911 4.170 -0.001 0.000 0.241 738 I C 2.039 177.914 176.117 -0.403 0.000 1.085 738 I CA 1.129 62.127 61.300 -0.503 0.000 1.378 738 I CB -0.333 37.477 38.000 -0.318 0.000 1.076 738 I HN 0.173 nan 8.210 nan 0.000 0.415 739 L N 0.833 121.928 121.223 -0.214 0.000 2.465 739 L HA 0.099 4.438 4.340 -0.001 0.000 0.224 739 L C 1.261 178.069 176.870 -0.103 0.000 1.145 739 L CA 0.488 55.247 54.840 -0.135 0.000 0.834 739 L CB -1.022 41.015 42.059 -0.037 0.000 0.944 739 L HN 0.507 nan 8.230 nan 0.000 0.451 740 G N 1.117 109.840 108.800 -0.129 0.000 2.333 740 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.296 740 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.296 740 G C 0.007 174.921 174.900 0.023 0.000 1.059 740 G CA -0.026 45.027 45.100 -0.078 0.000 1.050 740 G HN 0.102 nan 8.290 nan 0.000 0.508 741 V N 0.502 120.455 119.914 0.065 0.000 2.508 741 V HA 0.594 4.713 4.120 -0.001 0.000 0.281 741 V C 1.402 177.571 176.094 0.124 0.000 1.041 741 V CA 0.623 63.016 62.300 0.155 0.000 1.016 741 V CB 1.095 33.063 31.823 0.242 0.000 0.984 741 V HN 0.774 nan 8.190 nan 0.000 0.478 742 G N 2.502 111.388 108.800 0.144 0.000 2.613 742 G HA2 0.509 4.469 3.960 -0.001 0.000 0.303 742 G HA3 0.509 4.469 3.960 -0.001 0.000 0.303 742 G C -0.041 174.850 174.900 -0.014 0.000 1.312 742 G CA -0.181 44.949 45.100 0.050 0.000 1.036 742 G HN 0.797 nan 8.290 nan 0.000 0.513 743 D N -2.017 118.292 120.400 -0.152 0.000 2.746 743 D HA -0.134 4.506 4.640 -0.001 0.000 0.241 743 D C 0.486 176.713 176.300 -0.122 0.000 1.140 743 D CA 0.301 54.199 54.000 -0.170 0.000 0.707 743 D CB -0.330 40.317 40.800 -0.255 0.000 1.034 743 D HN 0.224 nan 8.370 nan 0.000 0.423 744 R N 1.060 121.502 120.500 -0.096 0.000 4.048 744 R HA 0.245 4.585 4.340 -0.001 0.000 0.290 744 R C -0.147 176.056 176.300 -0.162 0.000 1.519 744 R CA -0.502 55.519 56.100 -0.131 0.000 1.446 744 R CB -0.492 29.810 30.300 0.002 0.000 1.455 744 R HN 0.576 nan 8.270 nan 0.000 0.706 745 H N -2.503 116.518 119.070 -0.081 0.000 2.603 745 H HA 0.140 4.695 4.556 -0.001 0.000 0.370 745 H C 0.837 176.093 175.328 -0.120 0.000 1.225 745 H CA -0.624 55.368 56.048 -0.093 0.000 1.410 745 H CB 0.851 30.560 29.762 -0.089 0.000 1.495 745 H HN 0.064 nan 8.280 nan 0.000 0.602 746 L N 0.202 121.436 121.223 0.018 0.000 2.700 746 L HA -0.070 4.270 4.340 -0.001 0.000 0.240 746 L C 0.494 177.331 176.870 -0.054 0.000 1.162 746 L CA 0.735 55.535 54.840 -0.068 0.000 0.874 746 L CB -0.323 41.700 42.059 -0.060 0.000 1.001 746 L HN 0.741 nan 8.230 nan 0.000 0.447 747 D N -0.362 120.100 120.400 0.103 0.000 2.360 747 D HA -0.013 4.627 4.640 -0.001 0.000 0.210 747 D C 1.223 177.428 176.300 -0.157 0.000 1.047 747 D CA 0.313 54.324 54.000 0.019 0.000 0.854 747 D CB 0.375 41.263 40.800 0.148 0.000 0.936 747 D HN 0.305 nan 8.370 nan 0.000 0.514 748 N N 0.035 118.519 118.700 -0.361 0.000 2.282 748 N HA 0.050 4.790 4.740 -0.001 0.000 0.185 748 N C -0.056 175.163 175.510 -0.485 0.000 1.099 748 N CA 0.031 52.819 53.050 -0.437 0.000 0.878 748 N CB 0.788 38.935 38.487 -0.566 0.000 0.993 748 N HN 0.055 nan 8.380 nan 0.000 0.481 749 L N 1.305 122.234 121.223 -0.490 0.000 2.276 749 L HA 0.378 4.717 4.340 -0.001 0.000 0.286 749 L C -0.458 176.094 176.870 -0.529 0.000 1.061 749 L CA -0.256 54.230 54.840 -0.590 0.000 0.807 749 L CB 0.887 42.660 42.059 -0.477 0.000 1.177 749 L HN -0.130 nan 8.230 nan 0.000 0.429 750 L N 4.092 124.883 121.223 -0.720 0.000 2.341 750 L HA 0.694 5.034 4.340 -0.001 0.000 0.267 750 L C -0.920 175.623 176.870 -0.546 0.000 1.009 750 L CA -0.548 53.861 54.840 -0.718 0.000 0.819 750 L CB 2.009 43.428 42.059 -1.067 0.000 1.323 750 L HN 0.375 nan 8.230 nan 0.000 0.425 751 L N 1.003 122.056 121.223 -0.284 0.000 2.436 751 L HA 0.762 5.102 4.340 -0.001 0.000 0.268 751 L C -0.206 176.721 176.870 0.096 0.000 0.974 751 L CA -0.000 54.811 54.840 -0.048 0.000 0.826 751 L CB 2.086 44.020 42.059 -0.207 0.000 1.291 751 L HN 0.776 nan 8.230 nan 0.000 0.406 752 T N 0.188 114.921 114.554 0.299 0.000 2.952 752 T HA 0.437 4.786 4.350 -0.001 0.000 0.286 752 T C 0.758 175.723 174.700 0.442 0.000 1.024 752 T CA -0.599 61.688 62.100 0.311 0.000 1.029 752 T CB 1.307 70.332 68.868 0.262 0.000 1.094 752 T HN 0.682 nan 8.240 nan 0.000 0.515 753 K N 0.247 120.835 120.400 0.313 0.000 2.439 753 K HA -0.009 4.311 4.320 -0.001 0.000 0.197 753 K C 1.881 178.597 176.600 0.193 0.000 1.041 753 K CA 1.242 57.661 56.287 0.220 0.000 0.970 753 K CB -0.241 32.239 32.500 -0.033 0.000 0.773 753 K HN 0.854 nan 8.250 nan 0.000 0.479 754 T N -3.072 111.588 114.554 0.177 0.000 3.129 754 T HA 0.175 4.525 4.350 -0.001 0.000 0.251 754 T C 1.337 176.085 174.700 0.080 0.000 1.117 754 T CA 0.446 62.609 62.100 0.105 0.000 1.034 754 T CB 0.472 69.394 68.868 0.090 0.000 0.968 754 T HN 0.311 nan 8.240 nan 0.000 0.526 755 G N 1.181 110.092 108.800 0.184 0.000 2.195 755 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.224 755 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.224 755 G C -0.004 175.121 174.900 0.375 0.000 0.990 755 G CA -0.326 44.833 45.100 0.098 0.000 0.639 755 G HN 0.591 nan 8.290 nan 0.000 0.514 756 K N 0.428 121.032 120.400 0.339 0.000 2.412 756 K HA 0.477 4.797 4.320 -0.001 0.000 0.284 756 K C -0.003 176.860 176.600 0.438 0.000 1.046 756 K CA -0.158 56.342 56.287 0.355 0.000 0.999 756 K CB 0.966 33.642 32.500 0.294 0.000 0.941 756 K HN 0.313 nan 8.250 nan 0.000 0.474 757 L N 5.728 127.194 121.223 0.405 0.000 2.307 757 L HA 0.565 4.904 4.340 -0.001 0.000 0.284 757 L C -1.100 175.916 176.870 0.244 0.000 1.023 757 L CA -0.645 54.358 54.840 0.273 0.000 0.810 757 L CB 0.430 42.598 42.059 0.182 0.000 1.231 757 L HN 0.569 nan 8.230 nan 0.000 0.423 758 F N 1.436 121.264 119.950 -0.204 0.000 2.643 758 F HA 0.543 5.070 4.527 -0.001 0.000 0.314 758 F C -1.103 174.373 175.800 -0.540 0.000 1.096 758 F CA -1.019 56.621 58.000 -0.599 0.000 0.953 758 F CB 1.074 39.968 39.000 -0.177 0.000 1.345 758 F HN 0.327 nan 8.300 nan 0.000 0.468 759 H N 2.513 121.274 119.070 -0.514 0.000 2.473 759 H HA 0.638 5.194 4.556 -0.001 0.000 0.327 759 H C -0.259 175.109 175.328 0.065 0.000 1.105 759 H CA -0.327 55.595 56.048 -0.210 0.000 1.280 759 H CB 2.193 31.965 29.762 0.016 0.000 1.450 759 H HN 0.775 nan 8.280 nan 0.000 0.492 760 I N -0.979 119.506 120.570 -0.141 0.000 2.863 760 I HA 0.401 4.570 4.170 -0.001 0.000 0.311 760 I C -0.378 175.342 176.117 -0.663 0.000 1.026 760 I CA -1.028 60.190 61.300 -0.136 0.000 1.077 760 I CB 1.901 39.862 38.000 -0.066 0.000 1.262 760 I HN 0.467 nan 8.210 nan 0.000 0.461 761 D N 2.402 122.462 120.400 -0.567 0.000 4.520 761 D HA -0.185 4.455 4.640 -0.001 0.000 0.245 761 D C -1.455 174.518 176.300 -0.545 0.000 1.068 761 D CA 0.568 54.334 54.000 -0.390 0.000 1.211 761 D CB -0.748 39.907 40.800 -0.243 0.000 0.818 761 D HN 0.559 nan 8.370 nan 0.000 0.392 762 F N 1.364 121.381 119.950 0.112 0.000 2.798 762 F HA 0.450 4.976 4.527 -0.001 0.000 0.333 762 F C 1.919 177.763 175.800 0.073 0.000 1.324 762 F CA -0.118 57.945 58.000 0.105 0.000 1.183 762 F CB 1.016 40.073 39.000 0.095 0.000 1.132 762 F HN 0.337 nan 8.300 nan 0.000 0.521 763 G N -0.602 108.283 108.800 0.141 0.000 2.598 763 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.215 763 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.215 763 G C -0.050 174.745 174.900 -0.175 0.000 1.131 763 G CA 0.599 45.690 45.100 -0.015 0.000 0.785 763 G HN 0.367 nan 8.290 nan 0.000 0.539 764 Y N 0.013 120.368 120.300 0.092 0.000 2.329 764 Y HA 0.560 5.109 4.550 -0.001 0.000 0.328 764 Y C 0.091 176.055 175.900 0.106 0.000 0.992 764 Y CA -1.352 56.797 58.100 0.081 0.000 1.151 764 Y CB 1.461 39.956 38.460 0.058 0.000 1.150 764 Y HN 0.117 nan 8.280 nan 0.000 0.450 765 I N -0.723 119.969 120.570 0.203 0.000 3.191 765 I HA 0.608 4.777 4.170 -0.001 0.000 0.313 765 I C -0.202 175.972 176.117 0.095 0.000 1.193 765 I CA -1.548 59.843 61.300 0.151 0.000 0.968 765 I CB 2.462 40.544 38.000 0.138 0.000 1.262 765 I HN 0.585 nan 8.210 nan 0.000 0.456 766 L N 2.068 123.318 121.223 0.044 0.000 4.040 766 L HA -0.232 4.107 4.340 -0.001 0.000 0.410 766 L C 1.033 177.905 176.870 0.004 0.000 1.187 766 L CA 0.766 55.603 54.840 -0.004 0.000 0.956 766 L CB -2.174 39.892 42.059 0.012 0.000 2.022 766 L HN 1.371 nan 8.230 nan 0.000 0.897 767 G N -1.171 107.643 108.800 0.023 0.000 2.195 767 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.224 767 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.224 767 G C 0.395 175.332 174.900 0.063 0.000 0.990 767 G CA 0.218 45.333 45.100 0.025 0.000 0.639 767 G HN 0.374 nan 8.290 nan 0.000 0.514 768 R N 0.672 121.239 120.500 0.111 0.000 2.694 768 R HA 0.524 4.864 4.340 -0.001 0.000 0.268 768 R C -0.648 175.768 176.300 0.193 0.000 1.061 768 R CA 0.542 56.752 56.100 0.182 0.000 1.133 768 R CB 0.543 30.994 30.300 0.253 0.000 1.020 768 R HN 0.319 nan 8.270 nan 0.000 0.475 769 D N 0.227 120.698 120.400 0.119 0.000 2.717 769 D HA 0.184 4.823 4.640 -0.001 0.000 0.223 769 D C -2.019 174.142 176.300 -0.232 0.000 1.240 769 D CA -1.270 52.624 54.000 -0.175 0.000 0.801 769 D CB 1.784 42.522 40.800 -0.103 0.000 1.556 769 D HN 0.148 nan 8.370 nan 0.000 0.462 770 P HA -0.030 nan 4.420 nan 0.000 0.226 770 P C -0.176 177.061 177.300 -0.104 0.000 1.153 770 P CA 0.706 63.666 63.100 -0.233 0.000 0.777 770 P CB 0.377 31.896 31.700 -0.302 0.000 0.794 771 K N 0.402 120.735 120.400 -0.112 0.000 2.166 771 K HA 0.436 4.756 4.320 -0.001 0.000 0.245 771 K C -2.424 174.154 176.600 -0.036 0.000 0.967 771 K CA -2.075 54.176 56.287 -0.059 0.000 0.863 771 K CB 1.312 33.777 32.500 -0.058 0.000 1.107 771 K HN -0.041 nan 8.250 nan 0.000 0.436 772 P HA 0.228 nan 4.420 nan 0.000 0.281 772 P C -0.390 176.907 177.300 -0.006 0.000 1.264 772 P CA -0.561 62.535 63.100 -0.006 0.000 0.824 772 P CB 0.556 32.256 31.700 -0.001 0.000 1.092 773 L N -1.121 120.103 121.223 0.002 0.000 3.798 773 L HA -0.161 4.178 4.340 -0.001 0.000 0.582 773 L C -1.646 175.224 176.870 0.001 0.000 1.096 773 L CA -0.484 54.359 54.840 0.005 0.000 0.892 773 L CB -1.524 40.539 42.059 0.007 0.000 1.181 773 L HN 0.430 nan 8.230 nan 0.000 0.772 774 P HA 0.287 nan 4.420 nan 0.000 0.279 774 P C -2.138 175.170 177.300 0.014 0.000 1.239 774 P CA -1.138 61.961 63.100 -0.001 0.000 0.789 774 P CB 0.221 31.919 31.700 -0.003 0.000 0.933 775 P HA 0.156 nan 4.420 nan 0.000 0.272 775 P C -1.891 175.439 177.300 0.050 0.000 1.223 775 P CA -1.411 61.706 63.100 0.028 0.000 0.784 775 P CB -0.177 31.535 31.700 0.020 0.000 0.923 776 P HA 0.055 nan 4.420 nan 0.000 0.233 776 P C 0.323 177.731 177.300 0.181 0.000 1.167 776 P CA 0.985 64.162 63.100 0.127 0.000 0.770 776 P CB 0.307 32.105 31.700 0.164 0.000 0.837 777 M N 0.160 119.823 119.600 0.105 0.000 2.197 777 M HA 0.341 4.820 4.480 -0.001 0.000 0.301 777 M C -0.700 175.644 176.300 0.073 0.000 0.987 777 M CA -0.425 54.928 55.300 0.089 0.000 0.921 777 M CB 1.806 34.409 32.600 0.006 0.000 1.569 777 M HN -0.450 nan 8.290 nan 0.000 0.431 778 K N 6.025 126.482 120.400 0.095 0.000 2.333 778 K HA 0.368 4.687 4.320 -0.001 0.000 0.241 778 K C -0.751 175.908 176.600 0.098 0.000 1.193 778 K CA 0.053 56.392 56.287 0.087 0.000 1.142 778 K CB -0.701 31.863 32.500 0.106 0.000 1.731 778 K HN 0.765 nan 8.250 nan 0.000 0.344 779 L N 0.679 121.941 121.223 0.065 0.000 2.569 779 L HA 0.406 4.746 4.340 -0.001 0.000 0.247 779 L C 0.496 177.363 176.870 -0.006 0.000 1.135 779 L CA -0.557 54.312 54.840 0.050 0.000 0.812 779 L CB 0.679 42.770 42.059 0.054 0.000 1.431 779 L HN 0.504 nan 8.230 nan 0.000 0.499 780 N N -0.727 117.946 118.700 -0.044 0.000 3.186 780 N HA 0.026 4.765 4.740 -0.001 0.000 0.230 780 N C -0.317 175.127 175.510 -0.109 0.000 1.062 780 N CA -0.392 52.610 53.050 -0.080 0.000 1.084 780 N CB 1.264 39.721 38.487 -0.050 0.000 1.662 780 N HN 0.467 nan 8.380 nan 0.000 0.627 781 K N 1.217 121.504 120.400 -0.189 0.000 2.030 781 K HA -0.234 4.085 4.320 -0.001 0.000 0.222 781 K C 1.439 178.012 176.600 -0.046 0.000 1.056 781 K CA 2.685 58.848 56.287 -0.207 0.000 0.957 781 K CB 0.011 32.377 32.500 -0.224 0.000 0.727 781 K HN 0.653 nan 8.250 nan 0.000 0.452 782 E N 0.502 120.677 120.200 -0.042 0.000 2.333 782 E HA -0.224 4.126 4.350 -0.001 0.000 0.198 782 E C 1.895 178.512 176.600 0.030 0.000 1.007 782 E CA 1.018 57.411 56.400 -0.012 0.000 0.845 782 E CB -0.298 29.376 29.700 -0.042 0.000 0.766 782 E HN 0.465 nan 8.360 nan 0.000 0.507 783 M N 0.828 120.449 119.600 0.035 0.000 2.123 783 M HA -0.107 4.372 4.480 -0.001 0.000 0.263 783 M C 2.186 178.551 176.300 0.108 0.000 1.069 783 M CA 1.067 56.428 55.300 0.103 0.000 1.133 783 M CB 0.135 32.742 32.600 0.012 0.000 1.356 783 M HN -0.029 nan 8.290 nan 0.000 0.415 784 V N 0.530 120.466 119.914 0.038 0.000 2.515 784 V HA -0.242 3.877 4.120 -0.001 0.000 0.250 784 V C 1.937 178.090 176.094 0.098 0.000 1.058 784 V CA 1.766 64.098 62.300 0.054 0.000 1.064 784 V CB -0.792 31.088 31.823 0.095 0.000 0.675 784 V HN 0.507 nan 8.190 nan 0.000 0.461 785 E N 0.330 120.594 120.200 0.107 0.000 2.152 785 E HA -0.096 4.253 4.350 -0.001 0.000 0.192 785 E C 2.346 178.992 176.600 0.078 0.000 0.983 785 E CA 0.994 57.444 56.400 0.084 0.000 0.818 785 E CB -0.371 29.373 29.700 0.072 0.000 0.758 785 E HN 0.651 nan 8.360 nan 0.000 0.467 786 G N 1.180 110.040 108.800 0.100 0.000 2.442 786 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 786 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 786 G C 1.516 176.511 174.900 0.159 0.000 1.141 786 G CA 0.464 45.590 45.100 0.042 0.000 0.763 786 G HN 0.126 nan 8.290 nan 0.000 0.554 787 M N 0.026 119.817 119.600 0.318 0.000 2.557 787 M HA 0.173 4.653 4.480 -0.001 0.000 0.259 787 M C 1.958 178.368 176.300 0.183 0.000 1.086 787 M CA 1.040 56.524 55.300 0.307 0.000 1.096 787 M CB 0.323 33.071 32.600 0.247 0.000 1.424 787 M HN 0.418 nan 8.290 nan 0.000 0.488 788 G N -0.265 108.607 108.800 0.120 0.000 2.201 788 G HA2 -0.025 3.935 3.960 -0.001 0.000 0.212 788 G HA3 -0.025 3.935 3.960 -0.001 0.000 0.212 788 G C 0.410 175.328 174.900 0.029 0.000 0.994 788 G CA -0.376 44.768 45.100 0.073 0.000 0.644 788 G HN 0.976 nan 8.290 nan 0.000 0.508 789 G N -1.899 106.907 108.800 0.011 0.000 2.555 789 G HA2 0.387 4.346 3.960 -0.001 0.000 0.686 789 G HA3 0.387 4.346 3.960 -0.001 0.000 0.686 789 G C 0.799 175.563 174.900 -0.227 0.000 1.275 789 G CA 0.862 45.906 45.100 -0.093 0.000 0.871 789 G HN 1.827 nan 8.290 nan 0.000 0.603 790 T N -2.203 112.085 114.554 -0.443 0.000 3.077 790 T HA -0.033 4.317 4.350 -0.001 0.000 0.269 790 T C 1.720 176.208 174.700 -0.354 0.000 1.146 790 T CA 2.143 63.748 62.100 -0.825 0.000 1.091 790 T CB 0.023 68.484 68.868 -0.677 0.000 0.892 790 T HN 0.477 nan 8.240 nan 0.000 0.533 791 Q N 1.668 121.372 119.800 -0.161 0.000 2.402 791 Q HA 0.198 4.538 4.340 -0.001 0.000 0.206 791 Q C 1.504 177.532 176.000 0.047 0.000 0.919 791 Q CA 0.410 56.193 55.803 -0.034 0.000 0.923 791 Q CB 0.105 28.816 28.738 -0.046 0.000 1.048 791 Q HN 0.803 nan 8.270 nan 0.000 0.515 792 S N 0.645 116.386 115.700 0.069 0.000 2.576 792 S HA -0.023 4.447 4.470 -0.001 0.000 0.272 792 S C 1.082 175.781 174.600 0.165 0.000 1.352 792 S CA -0.013 58.255 58.200 0.115 0.000 1.021 792 S CB 1.109 64.386 63.200 0.128 0.000 0.887 792 S HN 0.370 nan 8.310 nan 0.000 0.542 793 E N 0.514 120.790 120.200 0.127 0.000 2.358 793 E HA -0.151 4.199 4.350 -0.001 0.000 0.195 793 E C 1.430 178.108 176.600 0.130 0.000 1.010 793 E CA 0.562 57.033 56.400 0.118 0.000 0.856 793 E CB -0.184 29.566 29.700 0.083 0.000 0.795 793 E HN 0.719 nan 8.360 nan 0.000 0.504 794 Q N -0.012 119.879 119.800 0.152 0.000 2.079 794 Q HA -0.153 4.186 4.340 -0.001 0.000 0.200 794 Q C 1.720 177.850 176.000 0.216 0.000 0.974 794 Q CA 1.663 57.568 55.803 0.170 0.000 0.840 794 Q CB -0.689 28.158 28.738 0.181 0.000 0.898 794 Q HN 0.450 nan 8.270 nan 0.000 0.430 795 Y N 0.973 121.344 120.300 0.119 0.000 2.256 795 Y HA -0.255 4.295 4.550 -0.001 0.000 0.288 795 Y C 1.893 177.908 175.900 0.192 0.000 1.155 795 Y CA 1.499 59.683 58.100 0.140 0.000 1.203 795 Y CB 0.134 38.646 38.460 0.086 0.000 0.980 795 Y HN 0.096 nan 8.280 nan 0.000 0.530 796 Q N -0.013 119.814 119.800 0.046 0.000 2.049 796 Q HA -0.179 4.160 4.340 -0.001 0.000 0.198 796 Q C 2.195 178.145 176.000 -0.083 0.000 0.971 796 Q CA 1.575 57.347 55.803 -0.051 0.000 0.833 796 Q CB -0.419 28.356 28.738 0.060 0.000 0.896 796 Q HN 0.466 nan 8.270 nan 0.000 0.434 797 E N 0.638 120.838 120.200 -0.000 0.000 2.130 797 E HA -0.181 4.169 4.350 -0.001 0.000 0.196 797 E C 1.638 178.204 176.600 -0.057 0.000 0.998 797 E CA 0.933 57.327 56.400 -0.010 0.000 0.806 797 E CB -0.409 29.319 29.700 0.047 0.000 0.738 797 E HN 0.291 nan 8.360 nan 0.000 0.459 798 F N 0.938 120.788 119.950 -0.167 0.000 2.046 798 F HA -0.177 4.350 4.527 -0.001 0.000 0.297 798 F C 2.194 177.792 175.800 -0.338 0.000 1.123 798 F CA 1.951 59.827 58.000 -0.206 0.000 1.199 798 F CB -0.326 38.569 39.000 -0.175 0.000 0.972 798 F HN -0.099 nan 8.300 nan 0.000 0.474 799 R N 0.407 120.555 120.500 -0.587 0.000 2.091 799 R HA -0.202 4.137 4.340 -0.001 0.000 0.238 799 R C 2.472 178.065 176.300 -1.179 0.000 1.136 799 R CA 1.874 57.467 56.100 -0.846 0.000 0.959 799 R CB -0.522 29.442 30.300 -0.560 0.000 0.856 799 R HN 0.332 nan 8.270 nan 0.000 0.437 800 K N 0.518 120.477 120.400 -0.735 0.000 2.026 800 K HA -0.179 4.140 4.320 -0.001 0.000 0.208 800 K C 2.070 178.411 176.600 -0.431 0.000 1.048 800 K CA 1.310 57.260 56.287 -0.562 0.000 0.929 800 K CB 0.125 32.531 32.500 -0.156 0.000 0.713 800 K HN 0.125 nan 8.250 nan 0.000 0.439 801 Q N 0.461 120.057 119.800 -0.341 0.000 2.096 801 Q HA -0.177 4.163 4.340 -0.001 0.000 0.204 801 Q C 2.404 178.256 176.000 -0.248 0.000 0.982 801 Q CA 1.408 57.084 55.803 -0.212 0.000 0.850 801 Q CB -0.696 27.949 28.738 -0.156 0.000 0.901 801 Q HN 0.460 nan 8.270 nan 0.000 0.422 802 C N 0.349 119.361 119.300 -0.481 0.000 2.398 802 C HA -0.192 4.268 4.460 -0.001 0.000 0.276 802 C C 2.594 177.505 174.990 -0.133 0.000 1.222 802 C CA 0.727 59.500 59.018 -0.407 0.000 1.746 802 C CB -1.382 25.962 27.740 -0.660 0.000 2.039 802 C HN 0.463 nan 8.230 nan 0.000 0.470 803 Y N 1.558 121.815 120.300 -0.071 0.000 2.114 803 Y HA -0.157 4.393 4.550 -0.001 0.000 0.284 803 Y C 2.778 178.733 175.900 0.091 0.000 1.143 803 Y CA 1.624 59.749 58.100 0.043 0.000 1.135 803 Y CB -1.960 36.508 38.460 0.013 0.000 0.980 803 Y HN 0.299 nan 8.280 nan 0.000 0.499 804 T N 0.351 115.020 114.554 0.191 0.000 2.684 804 T HA -0.227 4.123 4.350 -0.001 0.000 0.267 804 T C 2.264 177.105 174.700 0.235 0.000 1.036 804 T CA 1.574 63.772 62.100 0.163 0.000 1.148 804 T CB -0.821 68.143 68.868 0.160 0.000 0.863 804 T HN 0.422 nan 8.240 nan 0.000 0.436 805 A N 1.467 124.412 122.820 0.209 0.000 1.865 805 A HA -0.059 4.260 4.320 -0.001 0.000 0.217 805 A C 2.026 179.795 177.584 0.309 0.000 1.191 805 A CA 1.482 53.658 52.037 0.231 0.000 0.623 805 A CB -1.120 17.952 19.000 0.121 0.000 0.826 805 A HN 0.404 nan 8.150 nan 0.000 0.444 806 F N 0.646 120.675 119.950 0.132 0.000 2.091 806 F HA -0.189 4.338 4.527 -0.001 0.000 0.299 806 F C 1.979 177.885 175.800 0.178 0.000 1.103 806 F CA 1.707 59.812 58.000 0.175 0.000 1.228 806 F CB -0.454 38.639 39.000 0.155 0.000 0.984 806 F HN 0.144 nan 8.300 nan 0.000 0.477 807 L N -1.335 119.937 121.223 0.082 0.000 2.109 807 L HA -0.204 4.135 4.340 -0.001 0.000 0.207 807 L C 2.674 179.472 176.870 -0.121 0.000 1.086 807 L CA 0.966 55.735 54.840 -0.119 0.000 0.760 807 L CB -0.963 41.024 42.059 -0.120 0.000 0.910 807 L HN 0.169 nan 8.230 nan 0.000 0.437 808 H N 0.094 119.193 119.070 0.049 0.000 2.353 808 H HA -0.123 4.433 4.556 -0.001 0.000 0.300 808 H C 2.390 177.791 175.328 0.122 0.000 1.090 808 H CA 1.499 57.592 56.048 0.074 0.000 1.327 808 H CB -0.076 29.758 29.762 0.120 0.000 1.383 808 H HN 0.283 nan 8.280 nan 0.000 0.508 809 L N 0.225 121.620 121.223 0.286 0.000 2.093 809 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 809 L C 2.786 179.721 176.870 0.107 0.000 1.085 809 L CA 0.797 55.821 54.840 0.307 0.000 0.755 809 L CB -0.183 42.111 42.059 0.391 0.000 0.904 809 L HN 0.110 nan 8.230 nan 0.000 0.435 810 R N -0.266 120.198 120.500 -0.060 0.000 2.127 810 R HA -0.152 4.188 4.340 -0.001 0.000 0.238 810 R C 2.244 178.322 176.300 -0.371 0.000 1.134 810 R CA 1.217 57.105 56.100 -0.353 0.000 0.975 810 R CB -0.231 29.863 30.300 -0.343 0.000 0.865 810 R HN 0.362 nan 8.270 nan 0.000 0.447 811 R N -0.769 119.568 120.500 -0.273 0.000 2.235 811 R HA -0.089 4.250 4.340 -0.001 0.000 0.213 811 R C 0.614 176.612 176.300 -0.504 0.000 1.059 811 R CA 0.893 56.769 56.100 -0.374 0.000 0.997 811 R CB 0.125 30.182 30.300 -0.404 0.000 0.884 811 R HN 0.320 nan 8.270 nan 0.000 0.462 812 Y N 0.142 120.348 120.300 -0.156 0.000 2.607 812 Y HA 0.066 4.616 4.550 -0.001 0.000 0.266 812 Y C 2.054 177.819 175.900 -0.225 0.000 1.178 812 Y CA -0.247 57.778 58.100 -0.125 0.000 1.226 812 Y CB 0.249 38.688 38.460 -0.034 0.000 1.144 812 Y HN 0.046 nan 8.280 nan 0.000 0.528 813 S N -0.267 115.212 115.700 -0.368 0.000 2.392 813 S HA -0.288 4.182 4.470 -0.001 0.000 0.232 813 S C 1.910 176.397 174.600 -0.188 0.000 1.041 813 S CA 1.959 59.811 58.200 -0.579 0.000 1.026 813 S CB -0.325 62.383 63.200 -0.819 0.000 0.845 813 S HN 0.436 nan 8.310 nan 0.000 0.465 814 N N 1.658 120.288 118.700 -0.116 0.000 2.043 814 N HA -0.041 4.699 4.740 -0.001 0.000 0.193 814 N C 1.660 177.169 175.510 -0.001 0.000 1.037 814 N CA 1.443 54.467 53.050 -0.043 0.000 0.851 814 N CB -0.872 37.594 38.487 -0.036 0.000 1.027 814 N HN 0.421 nan 8.380 nan 0.000 0.422 815 L N 0.981 122.224 121.223 0.035 0.000 1.970 815 L HA -0.037 4.303 4.340 -0.001 0.000 0.212 815 L C 1.929 178.835 176.870 0.060 0.000 1.071 815 L CA 1.516 56.375 54.840 0.032 0.000 0.751 815 L CB -0.891 41.227 42.059 0.098 0.000 0.889 815 L HN 0.210 nan 8.230 nan 0.000 0.432 816 I N -1.012 119.632 120.570 0.124 0.000 2.208 816 I HA -0.333 3.837 4.170 -0.001 0.000 0.245 816 I C 2.395 178.691 176.117 0.297 0.000 1.097 816 I CA 1.441 62.883 61.300 0.235 0.000 1.363 816 I CB -0.328 37.861 38.000 0.315 0.000 1.051 816 I HN 0.277 nan 8.210 nan 0.000 0.413 817 L N 0.116 121.455 121.223 0.193 0.000 2.072 817 L HA -0.166 4.174 4.340 -0.001 0.000 0.205 817 L C 2.329 179.284 176.870 0.142 0.000 1.079 817 L CA 1.030 55.975 54.840 0.175 0.000 0.752 817 L CB -0.741 41.376 42.059 0.096 0.000 0.906 817 L HN 0.275 nan 8.230 nan 0.000 0.436 818 N N 0.305 119.048 118.700 0.072 0.000 2.094 818 N HA -0.193 4.546 4.740 -0.001 0.000 0.191 818 N C 1.938 177.469 175.510 0.034 0.000 1.023 818 N CA 1.451 54.517 53.050 0.027 0.000 0.857 818 N CB -0.346 38.125 38.487 -0.026 0.000 1.013 818 N HN 0.301 nan 8.380 nan 0.000 0.426 819 L N -0.618 120.631 121.223 0.043 0.000 2.027 819 L HA -0.099 4.241 4.340 -0.001 0.000 0.206 819 L C 2.136 179.012 176.870 0.010 0.000 1.074 819 L CA 0.895 55.737 54.840 0.003 0.000 0.745 819 L CB -0.452 41.600 42.059 -0.012 0.000 0.898 819 L HN 0.017 nan 8.230 nan 0.000 0.433 820 F N 0.041 119.996 119.950 0.008 0.000 2.161 820 F HA -0.255 4.272 4.527 -0.001 0.000 0.300 820 F C 2.767 178.568 175.800 0.003 0.000 1.089 820 F CA 1.627 59.632 58.000 0.008 0.000 1.282 820 F CB -0.399 38.611 39.000 0.017 0.000 1.010 820 F HN -0.023 nan 8.300 nan 0.000 0.485 821 S N 0.239 116.045 115.700 0.177 0.000 2.387 821 S HA -0.197 4.273 4.470 -0.001 0.000 0.230 821 S C 1.910 176.540 174.600 0.050 0.000 1.035 821 S CA 1.091 59.328 58.200 0.062 0.000 1.014 821 S CB -0.551 62.642 63.200 -0.012 0.000 0.836 821 S HN 0.298 nan 8.310 nan 0.000 0.466 822 L N -0.133 121.129 121.223 0.065 0.000 2.622 822 L HA 0.126 4.466 4.340 -0.001 0.000 0.233 822 L C 1.772 178.703 176.870 0.102 0.000 1.156 822 L CA 0.400 55.313 54.840 0.121 0.000 0.866 822 L CB -0.235 41.876 42.059 0.087 0.000 0.980 822 L HN 0.300 nan 8.230 nan 0.000 0.448 823 M N -1.447 118.188 119.600 0.058 0.000 2.308 823 M HA 0.029 4.509 4.480 -0.001 0.000 0.269 823 M C 1.785 178.124 176.300 0.066 0.000 1.040 823 M CA 0.376 55.686 55.300 0.016 0.000 1.024 823 M CB 0.362 32.909 32.600 -0.088 0.000 1.465 823 M HN 0.091 nan 8.290 nan 0.000 0.517 824 V N -1.973 118.004 119.914 0.105 0.000 2.324 824 V HA -0.197 3.922 4.120 -0.001 0.000 0.250 824 V C 0.343 176.499 176.094 0.103 0.000 1.060 824 V CA 1.777 64.139 62.300 0.103 0.000 1.042 824 V CB -0.899 30.977 31.823 0.088 0.000 0.650 824 V HN 0.358 nan 8.190 nan 0.000 0.450 825 D N 2.043 122.524 120.400 0.135 0.000 2.781 825 D HA 0.669 5.309 4.640 -0.001 0.000 0.254 825 D C 0.055 176.402 176.300 0.078 0.000 1.213 825 D CA 0.734 54.806 54.000 0.120 0.000 0.994 825 D CB 0.976 41.883 40.800 0.178 0.000 1.019 825 D HN 0.690 nan 8.370 nan 0.000 0.514 826 A N 1.481 124.330 122.820 0.049 0.000 2.435 826 A HA 0.377 4.697 4.320 -0.001 0.000 0.304 826 A C -0.038 177.550 177.584 0.006 0.000 1.064 826 A CA -0.939 51.106 52.037 0.015 0.000 0.727 826 A CB 1.111 20.104 19.000 -0.011 0.000 1.284 826 A HN 0.077 nan 8.150 nan 0.000 0.415 827 N N 2.073 120.767 118.700 -0.009 0.000 2.892 827 N HA 0.178 4.917 4.740 -0.001 0.000 0.300 827 N C -0.808 174.690 175.510 -0.021 0.000 1.211 827 N CA 0.439 53.482 53.050 -0.012 0.000 1.158 827 N CB -0.156 38.321 38.487 -0.018 0.000 1.455 827 N HN 0.427 nan 8.380 nan 0.000 0.524 828 I N 1.816 122.379 120.570 -0.012 0.000 2.411 828 I HA 0.226 4.395 4.170 -0.001 0.000 0.284 828 I C -1.602 174.512 176.117 -0.005 0.000 1.012 828 I CA -2.158 59.134 61.300 -0.013 0.000 1.119 828 I CB 2.076 40.069 38.000 -0.012 0.000 1.261 828 I HN -0.101 nan 8.210 nan 0.000 0.448 829 P HA -0.147 nan 4.420 nan 0.000 0.215 829 P C 0.874 178.169 177.300 -0.009 0.000 1.157 829 P CA 1.417 64.505 63.100 -0.020 0.000 0.874 829 P CB 0.485 32.158 31.700 -0.044 0.000 0.790 830 D N -1.236 119.162 120.400 -0.004 0.000 2.219 830 D HA -0.044 4.596 4.640 -0.001 0.000 0.205 830 D C 1.905 178.226 176.300 0.035 0.000 0.970 830 D CA 0.817 54.825 54.000 0.014 0.000 0.851 830 D CB -0.391 40.425 40.800 0.026 0.000 0.943 830 D HN 0.237 nan 8.370 nan 0.000 0.488 831 I N 0.391 120.986 120.570 0.041 0.000 2.584 831 I HA -0.054 4.116 4.170 -0.001 0.000 0.255 831 I C 2.245 178.387 176.117 0.042 0.000 1.145 831 I CA 0.358 61.691 61.300 0.055 0.000 1.462 831 I CB -0.020 38.021 38.000 0.069 0.000 1.102 831 I HN -0.111 nan 8.210 nan 0.000 0.433 832 A N 0.933 123.770 122.820 0.028 0.000 2.066 832 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 832 A C 2.249 179.846 177.584 0.022 0.000 1.157 832 A CA 0.855 52.907 52.037 0.025 0.000 0.670 832 A CB -0.556 18.454 19.000 0.017 0.000 0.804 832 A HN 0.357 nan 8.150 nan 0.000 0.453 833 L N -1.031 120.204 121.223 0.019 0.000 2.191 833 L HA -0.084 4.256 4.340 -0.001 0.000 0.212 833 L C 0.418 177.300 176.870 0.021 0.000 1.103 833 L CA 1.131 55.981 54.840 0.017 0.000 0.769 833 L CB -0.125 41.944 42.059 0.016 0.000 0.908 833 L HN 0.421 nan 8.230 nan 0.000 0.438 834 E N -2.072 118.143 120.200 0.025 0.000 3.286 834 E HA 0.105 4.454 4.350 -0.001 0.000 0.309 834 E C -2.052 174.566 176.600 0.031 0.000 1.174 834 E CA -0.866 55.549 56.400 0.024 0.000 0.984 834 E CB 1.018 30.730 29.700 0.019 0.000 1.401 834 E HN 0.024 nan 8.360 nan 0.000 0.388 835 P HA -0.225 nan 4.420 nan 0.000 0.215 835 P C 1.227 178.553 177.300 0.043 0.000 1.157 835 P CA 1.306 64.435 63.100 0.048 0.000 0.868 835 P CB 0.123 31.854 31.700 0.053 0.000 0.788 836 D N 0.864 121.285 120.400 0.034 0.000 2.170 836 D HA -0.235 4.405 4.640 -0.001 0.000 0.193 836 D C 1.053 177.365 176.300 0.021 0.000 1.004 836 D CA 1.634 55.651 54.000 0.027 0.000 0.860 836 D CB -0.767 40.044 40.800 0.018 0.000 0.931 836 D HN 0.307 nan 8.370 nan 0.000 0.448 837 K N -0.474 119.936 120.400 0.016 0.000 2.358 837 K HA 0.173 4.492 4.320 -0.001 0.000 0.200 837 K C 1.722 178.321 176.600 -0.001 0.000 1.030 837 K CA -0.026 56.263 56.287 0.004 0.000 1.097 837 K CB 0.729 33.229 32.500 -0.000 0.000 0.862 837 K HN 0.017 nan 8.250 nan 0.000 0.534 838 T N 1.006 115.570 114.554 0.016 0.000 2.708 838 T HA -0.122 4.227 4.350 -0.001 0.000 0.266 838 T C 1.995 176.679 174.700 -0.027 0.000 1.037 838 T CA 1.280 63.390 62.100 0.018 0.000 1.146 838 T CB -0.103 68.813 68.868 0.081 0.000 0.865 838 T HN -0.055 nan 8.240 nan 0.000 0.435 839 V N 1.743 121.655 119.914 -0.003 0.000 2.407 839 V HA -0.188 3.931 4.120 -0.001 0.000 0.248 839 V C 2.477 178.525 176.094 -0.076 0.000 1.055 839 V CA 1.812 64.089 62.300 -0.038 0.000 1.049 839 V CB -0.601 31.230 31.823 0.013 0.000 0.662 839 V HN 0.458 nan 8.190 nan 0.000 0.455 840 K N 0.654 121.024 120.400 -0.049 0.000 2.063 840 K HA -0.229 4.091 4.320 -0.001 0.000 0.208 840 K C 2.121 178.672 176.600 -0.083 0.000 1.048 840 K CA 1.700 57.957 56.287 -0.050 0.000 0.928 840 K CB -0.201 32.278 32.500 -0.035 0.000 0.713 840 K HN 0.388 nan 8.250 nan 0.000 0.442 841 K N -0.017 120.321 120.400 -0.102 0.000 2.281 841 K HA -0.101 4.218 4.320 -0.001 0.000 0.203 841 K C 1.815 178.281 176.600 -0.224 0.000 1.046 841 K CA 1.232 57.439 56.287 -0.134 0.000 0.938 841 K CB 0.130 32.562 32.500 -0.113 0.000 0.737 841 K HN 0.037 nan 8.250 nan 0.000 0.458 842 V N 0.621 120.363 119.914 -0.287 0.000 2.500 842 V HA -0.154 3.966 4.120 -0.001 0.000 0.243 842 V C 2.329 178.246 176.094 -0.295 0.000 1.039 842 V CA 1.148 63.199 62.300 -0.414 0.000 1.053 842 V CB -0.273 31.169 31.823 -0.634 0.000 0.695 842 V HN 0.298 nan 8.190 nan 0.000 0.463 843 Q N 0.094 119.838 119.800 -0.093 0.000 2.112 843 Q HA -0.295 4.044 4.340 -0.001 0.000 0.206 843 Q C 1.933 177.960 176.000 0.046 0.000 0.987 843 Q CA 2.219 58.078 55.803 0.093 0.000 0.858 843 Q CB -0.124 28.645 28.738 0.051 0.000 0.905 843 Q HN 0.580 nan 8.270 nan 0.000 0.420 844 D N -0.027 120.345 120.400 -0.047 0.000 2.182 844 D HA -0.148 4.492 4.640 -0.001 0.000 0.201 844 D C 1.687 177.965 176.300 -0.036 0.000 0.986 844 D CA 0.908 54.886 54.000 -0.036 0.000 0.847 844 D CB 0.017 40.786 40.800 -0.052 0.000 0.942 844 D HN 0.166 nan 8.370 nan 0.000 0.467 845 K N 0.009 120.310 120.400 -0.164 0.000 2.148 845 K HA -0.079 4.240 4.320 -0.001 0.000 0.204 845 K C 1.910 178.594 176.600 0.140 0.000 1.050 845 K CA 0.396 56.561 56.287 -0.204 0.000 0.942 845 K CB -0.447 31.643 32.500 -0.683 0.000 0.724 845 K HN 0.245 nan 8.250 nan 0.000 0.446 846 F N 1.490 121.533 119.950 0.156 0.000 2.451 846 F HA -0.008 4.519 4.527 -0.001 0.000 0.299 846 F C 0.457 176.287 175.800 0.050 0.000 1.101 846 F CA 0.354 58.422 58.000 0.112 0.000 1.436 846 F CB -0.166 38.819 39.000 -0.025 0.000 1.074 846 F HN -0.072 nan 8.300 nan 0.000 0.553 847 R N 0.550 121.172 120.500 0.204 0.000 3.188 847 R HA -0.211 4.129 4.340 -0.001 0.000 0.247 847 R C 0.865 177.180 176.300 0.024 0.000 0.918 847 R CA 0.196 56.323 56.100 0.045 0.000 0.629 847 R CB -2.494 27.770 30.300 -0.060 0.000 1.087 847 R HN 0.390 nan 8.270 nan 0.000 0.462 848 L N 0.287 121.533 121.223 0.038 0.000 2.275 848 L HA -0.166 4.173 4.340 -0.001 0.000 0.215 848 L C 2.265 179.130 176.870 -0.009 0.000 1.119 848 L CA 1.703 56.542 54.840 -0.001 0.000 0.790 848 L CB -0.319 41.742 42.059 0.003 0.000 0.919 848 L HN 0.389 nan 8.230 nan 0.000 0.443 849 D N 0.502 120.897 120.400 -0.010 0.000 2.178 849 D HA -0.138 4.502 4.640 -0.001 0.000 0.201 849 D C 1.115 177.407 176.300 -0.013 0.000 0.980 849 D CA 0.694 54.688 54.000 -0.011 0.000 0.842 849 D CB -0.125 40.663 40.800 -0.019 0.000 0.948 849 D HN 0.268 nan 8.370 nan 0.000 0.472 850 L N 0.519 121.729 121.223 -0.021 0.000 2.479 850 L HA 0.245 4.585 4.340 -0.001 0.000 0.249 850 L C 1.014 177.875 176.870 -0.015 0.000 1.178 850 L CA -0.554 54.278 54.840 -0.012 0.000 0.811 850 L CB 1.114 43.170 42.059 -0.004 0.000 1.187 850 L HN 0.101 nan 8.230 nan 0.000 0.480 851 S N -2.190 113.505 115.700 -0.009 0.000 2.709 851 S HA 0.285 4.755 4.470 -0.001 0.000 0.302 851 S C 0.133 174.722 174.600 -0.018 0.000 1.127 851 S CA -0.720 57.465 58.200 -0.024 0.000 0.905 851 S CB 1.640 64.826 63.200 -0.023 0.000 1.151 851 S HN 0.587 nan 8.310 nan 0.000 0.510 852 D N 0.876 121.253 120.400 -0.040 0.000 2.172 852 D HA -0.114 4.526 4.640 -0.001 0.000 0.196 852 D C 1.616 177.910 176.300 -0.009 0.000 0.999 852 D CA 1.832 55.808 54.000 -0.039 0.000 0.856 852 D CB -0.043 40.721 40.800 -0.059 0.000 0.934 852 D HN 0.709 nan 8.370 nan 0.000 0.453 853 E N -0.034 120.161 120.200 -0.010 0.000 2.028 853 E HA -0.148 4.202 4.350 -0.001 0.000 0.190 853 E C 1.857 178.476 176.600 0.031 0.000 0.984 853 E CA 0.810 57.208 56.400 -0.004 0.000 0.800 853 E CB 0.101 29.791 29.700 -0.018 0.000 0.758 853 E HN 0.338 nan 8.360 nan 0.000 0.448 854 E N 0.483 120.705 120.200 0.036 0.000 2.150 854 E HA -0.125 4.224 4.350 -0.001 0.000 0.193 854 E C 1.867 178.573 176.600 0.177 0.000 0.985 854 E CA 0.839 57.286 56.400 0.078 0.000 0.814 854 E CB -0.065 29.658 29.700 0.038 0.000 0.752 854 E HN 0.219 nan 8.360 nan 0.000 0.466 855 A N 1.016 123.933 122.820 0.162 0.000 1.858 855 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 855 A C 2.502 180.311 177.584 0.375 0.000 1.190 855 A CA 1.322 53.546 52.037 0.311 0.000 0.617 855 A CB -0.845 18.265 19.000 0.183 0.000 0.827 855 A HN 0.145 nan 8.150 nan 0.000 0.443 856 V N -0.088 119.933 119.914 0.179 0.000 2.568 856 V HA -0.272 3.847 4.120 -0.001 0.000 0.253 856 V C 2.474 178.471 176.094 -0.162 0.000 1.072 856 V CA 2.193 64.472 62.300 -0.036 0.000 1.084 856 V CB -1.033 30.679 31.823 -0.186 0.000 0.676 856 V HN 0.758 nan 8.190 nan 0.000 0.469 857 H N -1.258 117.769 119.070 -0.071 0.000 2.415 857 H HA -0.136 4.419 4.556 -0.001 0.000 0.297 857 H C 2.254 177.591 175.328 0.015 0.000 1.048 857 H CA 1.852 57.864 56.048 -0.061 0.000 1.365 857 H CB 0.080 29.830 29.762 -0.019 0.000 1.421 857 H HN 0.571 nan 8.280 nan 0.000 0.533 858 Y N 0.716 121.071 120.300 0.091 0.000 2.242 858 Y HA -0.231 4.319 4.550 -0.001 0.000 0.291 858 Y C 2.644 178.494 175.900 -0.084 0.000 1.137 858 Y CA 1.869 59.995 58.100 0.043 0.000 1.181 858 Y CB -0.295 38.227 38.460 0.103 0.000 0.989 858 Y HN 0.149 nan 8.280 nan 0.000 0.527 859 M N 0.892 120.382 119.600 -0.183 0.000 2.091 859 M HA -0.253 4.226 4.480 -0.001 0.000 0.259 859 M C 2.517 178.666 176.300 -0.252 0.000 1.076 859 M CA 2.506 57.582 55.300 -0.374 0.000 1.111 859 M CB -0.856 31.651 32.600 -0.154 0.000 1.291 859 M HN 0.471 nan 8.290 nan 0.000 0.417 860 Q N -0.410 119.352 119.800 -0.062 0.000 2.146 860 Q HA -0.304 4.036 4.340 -0.001 0.000 0.217 860 Q C 1.757 177.665 176.000 -0.154 0.000 1.023 860 Q CA 3.273 59.050 55.803 -0.043 0.000 0.903 860 Q CB -0.418 28.184 28.738 -0.227 0.000 0.990 860 Q HN 0.721 nan 8.270 nan 0.000 0.413 861 S N 0.619 116.165 115.700 -0.258 0.000 2.353 861 S HA -0.164 4.305 4.470 -0.001 0.000 0.222 861 S C 1.959 176.433 174.600 -0.210 0.000 1.035 861 S CA 1.524 59.594 58.200 -0.218 0.000 1.025 861 S CB -0.456 62.624 63.200 -0.199 0.000 0.902 861 S HN 0.382 nan 8.310 nan 0.000 0.440 862 L N 1.194 122.203 121.223 -0.358 0.000 2.013 862 L HA -0.157 4.183 4.340 -0.001 0.000 0.212 862 L C 2.362 179.132 176.870 -0.166 0.000 1.073 862 L CA 1.351 55.997 54.840 -0.323 0.000 0.753 862 L CB -0.717 41.025 42.059 -0.529 0.000 0.890 862 L HN 0.301 nan 8.230 nan 0.000 0.432 863 I N -0.301 120.182 120.570 -0.144 0.000 2.226 863 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 863 I C 2.028 178.196 176.117 0.085 0.000 1.100 863 I CA 1.236 62.532 61.300 -0.008 0.000 1.374 863 I CB -0.508 37.492 38.000 -0.001 0.000 1.057 863 I HN 0.292 nan 8.210 nan 0.000 0.413 864 D N 0.810 121.242 120.400 0.053 0.000 2.144 864 D HA -0.141 4.499 4.640 -0.001 0.000 0.200 864 D C 2.139 178.502 176.300 0.105 0.000 0.978 864 D CA 1.060 55.121 54.000 0.103 0.000 0.833 864 D CB -0.156 40.673 40.800 0.048 0.000 0.961 864 D HN 0.446 nan 8.370 nan 0.000 0.470 865 E N 0.595 120.820 120.200 0.042 0.000 2.047 865 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 865 E C 2.161 178.818 176.600 0.094 0.000 0.987 865 E CA 0.918 57.352 56.400 0.056 0.000 0.799 865 E CB -0.113 29.586 29.700 -0.000 0.000 0.752 865 E HN 0.121 nan 8.360 nan 0.000 0.449 866 S N 1.377 117.111 115.700 0.057 0.000 2.353 866 S HA -0.145 4.325 4.470 -0.001 0.000 0.222 866 S C 2.379 177.021 174.600 0.069 0.000 1.035 866 S CA 1.256 59.486 58.200 0.050 0.000 1.025 866 S CB -0.484 62.739 63.200 0.039 0.000 0.902 866 S HN 0.040 nan 8.310 nan 0.000 0.440 867 V N 1.650 121.646 119.914 0.136 0.000 2.343 867 V HA -0.212 3.908 4.120 -0.001 0.000 0.247 867 V C 2.343 178.579 176.094 0.237 0.000 1.051 867 V CA 2.260 64.671 62.300 0.184 0.000 1.036 867 V CB -0.847 31.147 31.823 0.286 0.000 0.654 867 V HN 0.551 nan 8.190 nan 0.000 0.451 868 H N 0.776 119.936 119.070 0.149 0.000 2.319 868 H HA -0.136 4.420 4.556 -0.001 0.000 0.299 868 H C 2.135 177.525 175.328 0.104 0.000 1.092 868 H CA 1.978 58.114 56.048 0.147 0.000 1.302 868 H CB -0.229 29.586 29.762 0.088 0.000 1.373 868 H HN 0.361 nan 8.280 nan 0.000 0.497 869 A N 0.220 123.102 122.820 0.103 0.000 2.070 869 A HA -0.081 4.239 4.320 -0.001 0.000 0.220 869 A C 2.244 179.765 177.584 -0.105 0.000 1.159 869 A CA 1.270 53.314 52.037 0.012 0.000 0.656 869 A CB -0.691 18.334 19.000 0.041 0.000 0.800 869 A HN 0.505 nan 8.150 nan 0.000 0.453 870 L N -1.787 119.317 121.223 -0.197 0.000 2.610 870 L HA 0.137 4.477 4.340 -0.001 0.000 0.232 870 L C 0.023 176.542 176.870 -0.585 0.000 1.149 870 L CA 0.069 54.649 54.840 -0.433 0.000 0.872 870 L CB -0.110 41.556 42.059 -0.656 0.000 0.992 870 L HN 0.309 nan 8.230 nan 0.000 0.447 871 F N 0.000 119.864 119.950 -0.144 0.000 2.286 871 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 871 F CA 0.000 57.908 58.000 -0.153 0.000 1.383 871 F CB 0.000 38.902 39.000 -0.163 0.000 1.145 871 F HN 0.000 nan 8.300 nan 0.000 0.574