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 2nut_1_B DATA FIRST_RESID 346 DATA SEQUENCE EGLRVVNLLQ ERNMLPSTPL KPPVPNLHED IQKLNCNPEL FRCTLTSIPQ DATA SEQUENCE TQALLNKAKL PLGLLLHPFK DLVQLPVVTS STIVRCRSCR TYINPFVSFL DATA SEQUENCE DQRRWKCNLC YRVNDVPEEX XXXXXXXXXX EPHRRPEVQN ATIEFMAPSE DATA SEQUENCE YMLRPPQPPV YLFVFDVSHN AVETGYLNSV CQSLLDNLDL LPGNTRTKIG DATA SEQUENCE FITFDSTIHF YGLQESLSQP QMLIVSDIED VFIPMPENLL VNLNESKELV DATA SEQUENCE QDLLKTLPQM FTKTLETQSA LGPALQAAFK LMSPTGGRMS VFQTQLPTLG DATA SEQUENCE VGALKPREEP NHRSSAKXXX MTPSTDFYKK LALDCSGQQV AVDLFLLSGQ DATA SEQUENCE YSDLASLGCI SRYSAGSVYY YPSYHHQHNP VQVQKLQKEL QRYLTRKIGF DATA SEQUENCE EAVMRIRCTK GLSIHTFHGN FFVRSTDLLS LPNVNPDAGY AVQMSVEESL DATA SEQUENCE TDTQLVSFQS ALLYTSSKGE RRIRVHTLCL PVVSTLNDVF LGADVQAISG DATA SEQUENCE LLANMAVDRS MTASLSDARD ALVNAVIDSL SAYRSSVXXX XXPGLMVPFS DATA SEQUENCE LRLFPLFVLA LLKQKSFQTG TNARLDERIF AMCQVKNQPL VYLMLTTHPS DATA SEQUENCE LYRVDNLSDE GALNISDRTI PQPPILQLSV EKLSRDGAFL MDAGSVLMLW DATA SEQUENCE VGKNCTQNFL SQVLGVQNYA SIPQPMTDLP ELDTPESARI IAFISWLREQ DATA SEQUENCE RPFFPILYVI RDESPMKANF LQNMIEDRTE SALSYYEFLL HIQQQVNK 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 346 E HA 0.000 nan 4.350 nan 0.000 0.291 346 E C 0.000 176.392 176.600 -0.346 0.000 1.382 346 E CA 0.000 56.310 56.400 -0.151 0.000 0.976 346 E CB 0.000 29.654 29.700 -0.077 0.000 0.812 347 G N 0.276 108.912 108.800 -0.274 0.000 2.521 347 G HA2 0.233 4.194 3.960 0.002 0.000 0.589 347 G HA3 0.233 4.194 3.960 0.002 0.000 0.589 347 G C -1.258 173.519 174.900 -0.204 0.000 1.501 347 G CA -0.453 44.461 45.100 -0.310 0.000 0.887 347 G HN 0.407 nan 8.290 nan 0.000 0.654 348 L N 2.418 123.584 121.223 -0.096 0.000 2.928 348 L HA 0.478 4.819 4.340 0.002 0.000 0.246 348 L C 1.388 178.266 176.870 0.013 0.000 1.239 348 L CA -0.532 54.304 54.840 -0.006 0.000 1.035 348 L CB -0.420 41.646 42.059 0.012 0.000 1.360 348 L HN 0.716 nan 8.230 nan 0.000 0.529 349 R N -0.863 119.619 120.500 -0.030 0.000 2.649 349 R HA 0.521 4.862 4.340 0.002 0.000 0.270 349 R C -0.961 175.396 176.300 0.096 0.000 1.105 349 R CA -0.662 55.447 56.100 0.015 0.000 1.193 349 R CB 0.500 30.781 30.300 -0.032 0.000 1.120 349 R HN 0.047 nan 8.270 nan 0.000 0.561 350 V N 1.534 121.507 119.914 0.098 0.000 2.513 350 V HA 0.347 4.468 4.120 0.002 0.000 0.299 350 V C -0.253 175.906 176.094 0.107 0.000 1.035 350 V CA -0.840 61.536 62.300 0.126 0.000 0.889 350 V CB 1.814 33.718 31.823 0.134 0.000 0.988 350 V HN 0.557 nan 8.190 nan 0.000 0.440 351 V N 3.346 123.319 119.914 0.098 0.000 2.581 351 V HA 0.451 4.572 4.120 0.002 0.000 0.303 351 V C -0.142 175.986 176.094 0.056 0.000 1.041 351 V CA -0.766 61.583 62.300 0.082 0.000 0.907 351 V CB 2.074 33.947 31.823 0.084 0.000 0.994 351 V HN 0.892 nan 8.190 nan 0.000 0.442 352 N N 3.911 122.642 118.700 0.051 0.000 2.589 352 N HA 0.306 5.047 4.740 0.002 0.000 0.232 352 N C 0.781 176.315 175.510 0.041 0.000 1.015 352 N CA -0.257 52.816 53.050 0.038 0.000 0.931 352 N CB 0.790 39.298 38.487 0.035 0.000 1.150 352 N HN 0.652 nan 8.380 nan 0.000 0.512 353 L N 2.478 123.719 121.223 0.030 0.000 2.263 353 L HA -0.177 4.164 4.340 0.002 0.000 0.216 353 L C 1.626 178.534 176.870 0.064 0.000 1.111 353 L CA 1.024 55.891 54.840 0.045 0.000 0.773 353 L CB -0.158 41.907 42.059 0.010 0.000 0.906 353 L HN 0.568 nan 8.230 nan 0.000 0.439 354 L N -1.222 120.029 121.223 0.048 0.000 2.395 354 L HA -0.093 4.249 4.340 0.002 0.000 0.218 354 L C 2.360 179.297 176.870 0.112 0.000 1.130 354 L CA 0.418 55.316 54.840 0.096 0.000 0.826 354 L CB -0.218 41.878 42.059 0.061 0.000 0.941 354 L HN 0.314 nan 8.230 nan 0.000 0.451 355 Q N -0.732 119.113 119.800 0.075 0.000 2.396 355 Q HA 0.025 4.366 4.340 0.002 0.000 0.220 355 Q C 1.800 177.835 176.000 0.058 0.000 0.900 355 Q CA 0.452 56.291 55.803 0.060 0.000 0.925 355 Q CB 0.437 29.201 28.738 0.044 0.000 1.065 355 Q HN 0.428 nan 8.270 nan 0.000 0.535 356 E N 1.243 121.485 120.200 0.070 0.000 2.004 356 E HA -0.067 4.284 4.350 0.002 0.000 0.192 356 E C 0.799 177.444 176.600 0.076 0.000 0.987 356 E CA 0.368 56.808 56.400 0.067 0.000 0.822 356 E CB -0.111 29.630 29.700 0.069 0.000 0.779 356 E HN 0.181 nan 8.360 nan 0.000 0.458 357 R N -0.202 120.372 120.500 0.123 0.000 4.024 357 R HA -0.159 4.183 4.340 0.002 0.000 0.391 357 R C -0.295 176.051 176.300 0.076 0.000 1.157 357 R CA 1.029 57.225 56.100 0.161 0.000 1.215 357 R CB -0.864 29.514 30.300 0.130 0.000 1.738 357 R HN 0.134 nan 8.270 nan 0.000 0.566 358 N N -0.208 118.517 118.700 0.041 0.000 2.588 358 N HA 0.071 4.812 4.740 0.002 0.000 0.298 358 N C 0.141 175.650 175.510 -0.000 0.000 1.718 358 N CA 0.149 53.204 53.050 0.008 0.000 0.888 358 N CB 0.722 39.219 38.487 0.016 0.000 1.389 358 N HN 0.138 nan 8.380 nan 0.000 0.491 359 M N -1.295 118.294 119.600 -0.019 0.000 2.492 359 M HA 0.134 4.615 4.480 0.002 0.000 0.262 359 M C 0.691 176.943 176.300 -0.081 0.000 1.090 359 M CA 0.589 55.863 55.300 -0.042 0.000 1.110 359 M CB -0.471 32.093 32.600 -0.060 0.000 1.407 359 M HN 0.006 nan 8.290 nan 0.000 0.470 360 L N 4.452 125.620 121.223 -0.092 0.000 2.462 360 L HA 0.327 4.668 4.340 0.002 0.000 0.272 360 L C -2.128 174.730 176.870 -0.021 0.000 1.166 360 L CA -1.804 52.987 54.840 -0.083 0.000 0.880 360 L CB -0.062 41.960 42.059 -0.061 0.000 1.142 360 L HN 0.106 nan 8.230 nan 0.000 0.473 361 P HA 0.124 nan 4.420 nan 0.000 0.274 361 P C 0.114 177.449 177.300 0.058 0.000 1.237 361 P CA -0.251 62.871 63.100 0.037 0.000 0.793 361 P CB 0.796 32.526 31.700 0.050 0.000 0.977 362 S N -0.305 115.438 115.700 0.071 0.000 2.461 362 S HA -0.013 4.459 4.470 0.002 0.000 0.228 362 S C 0.950 175.626 174.600 0.126 0.000 1.005 362 S CA 0.707 58.961 58.200 0.090 0.000 0.942 362 S CB -1.044 62.204 63.200 0.080 0.000 0.776 362 S HN 0.721 nan 8.310 nan 0.000 0.514 363 T N -0.246 114.379 114.554 0.120 0.000 2.945 363 T HA 0.666 5.017 4.350 0.002 0.000 0.286 363 T C -3.203 171.587 174.700 0.149 0.000 1.025 363 T CA -2.317 59.872 62.100 0.148 0.000 1.039 363 T CB 0.776 69.717 68.868 0.123 0.000 1.068 363 T HN -0.067 nan 8.240 nan 0.000 0.497 364 P HA 0.132 nan 4.420 nan 0.000 0.264 364 P C -0.443 176.923 177.300 0.109 0.000 1.179 364 P CA -0.207 62.986 63.100 0.156 0.000 0.763 364 P CB 0.243 32.054 31.700 0.184 0.000 0.806 365 L N 3.314 124.587 121.223 0.083 0.000 2.416 365 L HA 0.166 4.507 4.340 0.002 0.000 0.272 365 L C 0.973 177.876 176.870 0.055 0.000 1.161 365 L CA 0.187 55.067 54.840 0.066 0.000 0.845 365 L CB 0.192 42.288 42.059 0.062 0.000 1.119 365 L HN 0.286 nan 8.230 nan 0.000 0.464 366 K N 4.519 124.953 120.400 0.057 0.000 2.182 366 K HA 0.440 4.761 4.320 0.002 0.000 0.262 366 K C -2.171 174.452 176.600 0.038 0.000 0.957 366 K CA -1.726 54.590 56.287 0.050 0.000 0.842 366 K CB 1.321 33.857 32.500 0.060 0.000 1.099 366 K HN 0.389 nan 8.250 nan 0.000 0.438 367 P HA 0.095 nan 4.420 nan 0.000 0.267 367 P C -2.590 174.724 177.300 0.023 0.000 1.200 367 P CA -0.912 62.198 63.100 0.016 0.000 0.772 367 P CB -0.338 31.367 31.700 0.009 0.000 0.855 368 P HA 0.056 nan 4.420 nan 0.000 0.267 368 P C -0.580 176.731 177.300 0.018 0.000 1.200 368 P CA 0.014 63.128 63.100 0.023 0.000 0.772 368 P CB 0.314 32.020 31.700 0.011 0.000 0.855 369 V N 5.425 125.354 119.914 0.025 0.000 2.350 369 V HA 0.230 4.351 4.120 0.002 0.000 0.276 369 V C -1.911 174.191 176.094 0.013 0.000 1.028 369 V CA -1.665 60.647 62.300 0.020 0.000 0.860 369 V CB 0.681 32.520 31.823 0.026 0.000 0.990 369 V HN 0.585 nan 8.190 nan 0.000 0.453 370 P HA -0.023 nan 4.420 nan 0.000 0.264 370 P C -0.122 177.182 177.300 0.007 0.000 1.179 370 P CA 0.074 63.172 63.100 -0.004 0.000 0.763 370 P CB 0.268 31.955 31.700 -0.021 0.000 0.806 371 N N 3.252 121.958 118.700 0.010 0.000 2.739 371 N HA 0.150 4.892 4.740 0.002 0.000 0.266 371 N C -1.071 174.452 175.510 0.022 0.000 1.168 371 N CA 0.340 53.401 53.050 0.017 0.000 1.055 371 N CB -0.771 37.729 38.487 0.020 0.000 1.393 371 N HN 0.297 nan 8.380 nan 0.000 0.514 372 L N 1.156 122.394 121.223 0.026 0.000 2.333 372 L HA 0.354 4.696 4.340 0.002 0.000 0.263 372 L C 0.128 177.043 176.870 0.075 0.000 1.014 372 L CA -1.403 53.468 54.840 0.050 0.000 0.820 372 L CB 1.473 43.554 42.059 0.037 0.000 1.352 372 L HN 0.452 nan 8.230 nan 0.000 0.421 373 H N 0.791 119.878 119.070 0.027 0.000 3.038 373 H HA -0.104 4.453 4.556 0.002 0.000 0.338 373 H C 0.957 176.312 175.328 0.044 0.000 1.041 373 H CA 1.008 57.077 56.048 0.035 0.000 1.394 373 H CB 0.785 30.572 29.762 0.040 0.000 1.357 373 H HN 0.624 nan 8.280 nan 0.000 0.600 374 E N 2.320 122.244 120.200 -0.461 0.000 2.065 374 E HA -0.304 4.047 4.350 0.002 0.000 0.201 374 E C 1.143 177.742 176.600 -0.002 0.000 1.016 374 E CA 1.968 58.234 56.400 -0.223 0.000 0.818 374 E CB 0.095 29.619 29.700 -0.293 0.000 0.749 374 E HN 0.786 nan 8.360 nan 0.000 0.453 375 D N 0.054 120.550 120.400 0.160 0.000 2.144 375 D HA -0.161 4.481 4.640 0.002 0.000 0.199 375 D C 1.913 178.355 176.300 0.237 0.000 0.984 375 D CA 0.791 54.938 54.000 0.244 0.000 0.834 375 D CB -0.076 40.915 40.800 0.317 0.000 0.955 375 D HN 0.267 nan 8.370 nan 0.000 0.465 376 I N 0.627 121.370 120.570 0.288 0.000 2.353 376 I HA -0.161 4.010 4.170 0.002 0.000 0.248 376 I C 2.327 178.602 176.117 0.262 0.000 1.119 376 I CA 0.780 62.258 61.300 0.297 0.000 1.417 376 I CB -1.071 37.080 38.000 0.252 0.000 1.078 376 I HN -0.014 nan 8.210 nan 0.000 0.421 377 Q N 2.386 122.283 119.800 0.161 0.000 2.224 377 Q HA -0.184 4.157 4.340 0.002 0.000 0.203 377 Q C 2.015 178.090 176.000 0.124 0.000 0.970 377 Q CA 1.614 57.483 55.803 0.112 0.000 0.865 377 Q CB -0.316 28.458 28.738 0.060 0.000 0.922 377 Q HN 0.651 nan 8.270 nan 0.000 0.445 378 K N -0.806 119.668 120.400 0.124 0.000 2.365 378 K HA -0.036 4.285 4.320 0.002 0.000 0.199 378 K C 1.326 178.005 176.600 0.131 0.000 1.045 378 K CA 1.017 57.368 56.287 0.106 0.000 0.962 378 K CB -0.050 32.501 32.500 0.083 0.000 0.759 378 K HN 0.253 nan 8.250 nan 0.000 0.469 379 L N 0.545 121.884 121.223 0.193 0.000 2.616 379 L HA 0.143 4.484 4.340 0.002 0.000 0.229 379 L C 0.539 177.612 176.870 0.338 0.000 1.110 379 L CA -0.565 54.396 54.840 0.202 0.000 0.884 379 L CB -0.293 41.852 42.059 0.143 0.000 1.115 379 L HN 0.157 nan 8.230 nan 0.000 0.481 380 N N 0.235 119.149 118.700 0.355 0.000 2.344 380 N HA -0.067 4.675 4.740 0.002 0.000 0.236 380 N C -0.186 175.475 175.510 0.253 0.000 1.279 380 N CA 0.029 53.275 53.050 0.327 0.000 0.882 380 N CB 0.594 39.151 38.487 0.117 0.000 1.110 380 N HN 0.057 nan 8.380 nan 0.000 0.436 381 C N 2.185 121.630 119.300 0.242 0.000 2.662 381 C HA 0.120 4.581 4.460 0.002 0.000 0.420 381 C C 0.974 176.056 174.990 0.152 0.000 1.314 381 C CA -0.707 58.447 59.018 0.227 0.000 1.963 381 C CB -1.302 26.611 27.740 0.289 0.000 2.686 381 C HN 0.785 nan 8.230 nan 0.000 0.609 382 N N 5.668 124.451 118.700 0.138 0.000 2.411 382 N HA 0.055 4.796 4.740 0.002 0.000 0.261 382 N C -1.107 174.454 175.510 0.085 0.000 1.248 382 N CA -0.761 52.344 53.050 0.092 0.000 0.885 382 N CB 0.929 39.460 38.487 0.072 0.000 1.062 382 N HN 0.540 nan 8.380 nan 0.000 0.471 383 P HA -0.166 nan 4.420 nan 0.000 0.222 383 P C 0.109 177.439 177.300 0.049 0.000 1.147 383 P CA 1.362 64.493 63.100 0.051 0.000 0.790 383 P CB 0.187 31.904 31.700 0.029 0.000 0.780 384 E N -0.481 119.740 120.200 0.036 0.000 2.274 384 E HA -0.035 4.316 4.350 0.002 0.000 0.194 384 E C 1.969 178.594 176.600 0.041 0.000 0.996 384 E CA 0.619 57.034 56.400 0.026 0.000 0.840 384 E CB -0.262 29.441 29.700 0.006 0.000 0.772 384 E HN 0.337 nan 8.360 nan 0.000 0.491 385 L N -0.707 120.531 121.223 0.026 0.000 2.357 385 L HA 0.179 4.520 4.340 0.002 0.000 0.211 385 L C 0.196 177.089 176.870 0.039 0.000 1.075 385 L CA 0.062 54.873 54.840 -0.047 0.000 0.830 385 L CB 0.593 42.549 42.059 -0.171 0.000 0.996 385 L HN 0.026 nan 8.230 nan 0.000 0.467 386 F N 1.526 121.444 119.950 -0.053 0.000 2.722 386 F HA 0.431 4.959 4.527 0.002 0.000 0.336 386 F C -0.686 175.105 175.800 -0.016 0.000 1.216 386 F CA -1.260 56.726 58.000 -0.024 0.000 1.065 386 F CB 1.035 40.037 39.000 0.004 0.000 1.325 386 F HN -0.002 nan 8.300 nan 0.000 0.524 387 R N 3.527 124.163 120.500 0.226 0.000 2.799 387 R HA 0.856 5.197 4.340 0.002 0.000 0.270 387 R C -1.987 174.257 176.300 -0.093 0.000 1.010 387 R CA -0.744 55.351 56.100 -0.007 0.000 0.916 387 R CB 1.695 31.999 30.300 0.006 0.000 1.228 387 R HN 0.587 nan 8.270 nan 0.000 0.469 388 C N 1.543 120.746 119.300 -0.162 0.000 2.435 388 C HA 0.445 4.906 4.460 0.002 0.000 0.333 388 C C 1.872 176.781 174.990 -0.135 0.000 1.202 388 C CA 0.141 59.034 59.018 -0.208 0.000 1.830 388 C CB 1.726 29.296 27.740 -0.285 0.000 2.326 388 C HN 1.000 nan 8.230 nan 0.000 0.507 389 T N 1.796 116.271 114.554 -0.133 0.000 2.962 389 T HA 0.059 4.410 4.350 0.002 0.000 0.270 389 T C 0.304 174.937 174.700 -0.113 0.000 1.088 389 T CA 1.029 63.062 62.100 -0.112 0.000 1.127 389 T CB -0.237 68.566 68.868 -0.108 0.000 0.883 389 T HN 0.582 nan 8.240 nan 0.000 0.493 390 L N 2.433 123.589 121.223 -0.112 0.000 2.427 390 L HA 0.370 4.712 4.340 0.002 0.000 0.264 390 L C 1.424 178.250 176.870 -0.073 0.000 0.989 390 L CA -0.576 54.208 54.840 -0.093 0.000 0.865 390 L CB 1.749 43.751 42.059 -0.095 0.000 1.209 390 L HN 0.157 nan 8.230 nan 0.000 0.430 391 T N -2.736 111.784 114.554 -0.057 0.000 3.007 391 T HA -0.026 4.326 4.350 0.002 0.000 0.270 391 T C 0.806 175.495 174.700 -0.019 0.000 1.107 391 T CA 0.502 62.578 62.100 -0.040 0.000 1.118 391 T CB -0.014 68.837 68.868 -0.028 0.000 0.889 391 T HN 0.344 nan 8.240 nan 0.000 0.506 392 S N 2.088 117.775 115.700 -0.021 0.000 2.594 392 S HA 0.512 4.983 4.470 0.002 0.000 0.322 392 S C -0.221 174.371 174.600 -0.015 0.000 1.085 392 S CA -0.847 57.348 58.200 -0.009 0.000 1.116 392 S CB 0.455 63.652 63.200 -0.006 0.000 0.979 392 S HN 0.277 nan 8.310 nan 0.000 0.465 393 I N 4.878 125.453 120.570 0.009 0.000 2.533 393 I HA 0.212 4.383 4.170 0.002 0.000 0.284 393 I C -2.279 173.841 176.117 0.006 0.000 1.109 393 I CA -2.664 58.648 61.300 0.021 0.000 1.412 393 I CB -0.156 37.891 38.000 0.079 0.000 1.396 393 I HN 0.226 nan 8.210 nan 0.000 0.543 394 P HA 0.042 nan 4.420 nan 0.000 0.267 394 P C 0.588 177.889 177.300 0.002 0.000 1.205 394 P CA -0.042 63.047 63.100 -0.018 0.000 0.765 394 P CB 0.544 32.223 31.700 -0.035 0.000 0.828 395 Q N 2.302 122.103 119.800 0.002 0.000 2.224 395 Q HA -0.073 4.268 4.340 0.002 0.000 0.203 395 Q C 0.272 176.277 176.000 0.010 0.000 0.970 395 Q CA 1.177 56.985 55.803 0.008 0.000 0.865 395 Q CB 0.152 28.893 28.738 0.005 0.000 0.922 395 Q HN 0.616 nan 8.270 nan 0.000 0.445 396 T N -3.948 110.608 114.554 0.004 0.000 2.906 396 T HA 0.217 4.569 4.350 0.002 0.000 0.295 396 T C 0.228 174.929 174.700 0.002 0.000 1.075 396 T CA -0.794 61.309 62.100 0.005 0.000 1.005 396 T CB 1.602 70.472 68.868 0.002 0.000 1.136 396 T HN -0.038 nan 8.240 nan 0.000 0.498 397 Q N 1.215 121.018 119.800 0.004 0.000 2.170 397 Q HA 0.077 4.418 4.340 0.002 0.000 0.203 397 Q C 2.263 178.261 176.000 -0.004 0.000 0.976 397 Q CA 2.310 58.114 55.803 0.002 0.000 0.858 397 Q CB -0.964 27.776 28.738 0.002 0.000 0.907 397 Q HN 0.911 nan 8.270 nan 0.000 0.433 398 A N 0.090 122.908 122.820 -0.003 0.000 1.877 398 A HA -0.152 4.169 4.320 0.002 0.000 0.216 398 A C 1.976 179.556 177.584 -0.007 0.000 1.186 398 A CA 1.523 53.558 52.037 -0.003 0.000 0.620 398 A CB -0.880 18.119 19.000 -0.000 0.000 0.822 398 A HN 0.468 nan 8.150 nan 0.000 0.443 399 L N -0.650 120.566 121.223 -0.011 0.000 2.046 399 L HA -0.115 4.226 4.340 0.002 0.000 0.208 399 L C 2.260 179.103 176.870 -0.044 0.000 1.077 399 L CA 2.097 56.923 54.840 -0.023 0.000 0.747 399 L CB -0.707 41.339 42.059 -0.023 0.000 0.896 399 L HN 0.385 nan 8.230 nan 0.000 0.432 400 L N 0.028 121.229 121.223 -0.037 0.000 2.012 400 L HA -0.218 4.123 4.340 0.002 0.000 0.210 400 L C 2.176 179.022 176.870 -0.039 0.000 1.073 400 L CA 1.855 56.667 54.840 -0.047 0.000 0.748 400 L CB -1.149 40.896 42.059 -0.022 0.000 0.891 400 L HN 0.367 nan 8.230 nan 0.000 0.431 401 N N 0.005 118.694 118.700 -0.018 0.000 2.244 401 N HA -0.160 4.581 4.740 0.002 0.000 0.183 401 N C 1.740 177.252 175.510 0.002 0.000 1.016 401 N CA 1.273 54.321 53.050 -0.005 0.000 0.866 401 N CB -0.166 38.321 38.487 0.000 0.000 0.980 401 N HN 0.498 nan 8.380 nan 0.000 0.430 402 K N 0.785 121.183 120.400 -0.003 0.000 2.057 402 K HA 0.049 4.370 4.320 0.002 0.000 0.206 402 K C 2.010 178.627 176.600 0.028 0.000 1.050 402 K CA 1.155 57.453 56.287 0.019 0.000 0.935 402 K CB -0.089 32.423 32.500 0.020 0.000 0.715 402 K HN 0.096 nan 8.250 nan 0.000 0.439 403 A N 1.280 124.066 122.820 -0.057 0.000 2.019 403 A HA -0.141 4.180 4.320 0.002 0.000 0.219 403 A C 0.408 177.992 177.584 -0.000 0.000 1.164 403 A CA 1.059 53.002 52.037 -0.156 0.000 0.644 403 A CB -0.088 18.648 19.000 -0.441 0.000 0.805 403 A HN 0.205 nan 8.150 nan 0.000 0.449 404 K N -1.879 118.530 120.400 0.016 0.000 3.117 404 K HA -0.156 4.166 4.320 0.002 0.000 0.269 404 K C -0.695 175.948 176.600 0.071 0.000 1.098 404 K CA 0.815 57.139 56.287 0.062 0.000 0.785 404 K CB -2.392 30.175 32.500 0.112 0.000 1.242 404 K HN 0.559 nan 8.250 nan 0.000 0.491 405 L N 1.360 122.584 121.223 0.003 0.000 2.362 405 L HA 0.427 4.768 4.340 0.002 0.000 0.275 405 L C -1.786 175.070 176.870 -0.025 0.000 0.998 405 L CA -1.977 52.854 54.840 -0.015 0.000 0.820 405 L CB 2.064 44.063 42.059 -0.101 0.000 1.270 405 L HN -0.133 nan 8.230 nan 0.000 0.415 406 P HA 0.087 nan 4.420 nan 0.000 0.271 406 P C -1.045 176.234 177.300 -0.035 0.000 1.216 406 P CA -0.441 62.657 63.100 -0.002 0.000 0.776 406 P CB 1.650 33.357 31.700 0.012 0.000 0.881 407 L N 3.229 124.439 121.223 -0.023 0.000 2.272 407 L HA 0.785 5.126 4.340 0.002 0.000 0.289 407 L C 0.047 176.873 176.870 -0.074 0.000 1.032 407 L CA 0.195 55.004 54.840 -0.052 0.000 0.810 407 L CB 0.831 42.874 42.059 -0.026 0.000 1.205 407 L HN 0.718 nan 8.230 nan 0.000 0.422 408 G N 4.559 113.289 108.800 -0.117 0.000 2.559 408 G HA2 0.526 4.487 3.960 0.002 0.000 0.291 408 G HA3 0.526 4.487 3.960 0.002 0.000 0.291 408 G C -2.108 172.694 174.900 -0.164 0.000 1.424 408 G CA -0.826 44.194 45.100 -0.133 0.000 0.786 408 G HN 0.585 nan 8.290 nan 0.000 0.485 409 L N -0.467 120.685 121.223 -0.118 0.000 2.354 409 L HA 0.712 5.053 4.340 0.002 0.000 0.269 409 L C -1.030 175.878 176.870 0.063 0.000 1.005 409 L CA -0.938 53.874 54.840 -0.047 0.000 0.819 409 L CB 2.111 44.193 42.059 0.038 0.000 1.311 409 L HN 0.267 nan 8.230 nan 0.000 0.423 410 L N 3.799 125.087 121.223 0.108 0.000 2.362 410 L HA 0.665 5.006 4.340 0.002 0.000 0.275 410 L C -0.589 176.379 176.870 0.163 0.000 0.998 410 L CA -0.144 54.758 54.840 0.104 0.000 0.820 410 L CB 1.911 43.993 42.059 0.037 0.000 1.270 410 L HN 0.399 nan 8.230 nan 0.000 0.415 411 L N -0.283 121.014 121.223 0.123 0.000 2.393 411 L HA 0.711 5.052 4.340 0.002 0.000 0.260 411 L C -0.851 176.119 176.870 0.166 0.000 1.002 411 L CA -0.821 54.055 54.840 0.061 0.000 0.818 411 L CB 2.191 44.107 42.059 -0.237 0.000 1.369 411 L HN 0.495 nan 8.230 nan 0.000 0.412 412 H N 2.080 121.147 119.070 -0.004 0.000 2.511 412 H HA 0.338 4.895 4.556 0.002 0.000 0.228 412 H C -2.337 172.992 175.328 0.002 0.000 1.424 412 H CA -2.389 53.689 56.048 0.050 0.000 1.321 412 H CB 0.751 30.521 29.762 0.014 0.000 1.720 412 H HN 0.456 nan 8.280 nan 0.000 0.512 413 P HA -0.171 nan 4.420 nan 0.000 0.218 413 P C 0.861 178.367 177.300 0.344 0.000 1.148 413 P CA 0.853 64.016 63.100 0.105 0.000 0.822 413 P CB 0.143 31.910 31.700 0.112 0.000 0.784 414 F N 0.582 120.595 119.950 0.105 0.000 2.639 414 F HA 0.334 4.862 4.527 0.002 0.000 0.300 414 F C 1.045 176.820 175.800 -0.042 0.000 1.109 414 F CA -1.713 56.299 58.000 0.020 0.000 1.335 414 F CB -0.580 38.413 39.000 -0.012 0.000 1.014 414 F HN -0.264 nan 8.300 nan 0.000 0.537 415 K N 1.245 121.542 120.400 -0.172 0.000 2.469 415 K HA -0.052 4.269 4.320 0.002 0.000 0.274 415 K C -0.317 176.106 176.600 -0.295 0.000 0.983 415 K CA -0.106 55.898 56.287 -0.471 0.000 0.974 415 K CB 0.314 32.292 32.500 -0.870 0.000 0.913 415 K HN -0.007 nan 8.250 nan 0.000 0.493 416 D N 3.958 124.216 120.400 -0.235 0.000 2.401 416 D HA 0.079 4.720 4.640 0.002 0.000 0.254 416 D C -0.001 176.222 176.300 -0.129 0.000 1.192 416 D CA 0.301 54.190 54.000 -0.185 0.000 0.885 416 D CB 0.389 41.114 40.800 -0.125 0.000 1.147 416 D HN 0.315 nan 8.370 nan 0.000 0.478 417 L N 1.755 122.914 121.223 -0.106 0.000 2.352 417 L HA 0.308 4.649 4.340 0.002 0.000 0.269 417 L C 1.608 178.454 176.870 -0.040 0.000 1.034 417 L CA -0.992 53.813 54.840 -0.058 0.000 0.806 417 L CB 1.525 43.564 42.059 -0.033 0.000 1.244 417 L HN 0.124 nan 8.230 nan 0.000 0.447 418 V N -0.240 119.661 119.914 -0.021 0.000 2.331 418 V HA -0.088 4.033 4.120 0.002 0.000 0.242 418 V C 0.455 176.544 176.094 -0.009 0.000 1.034 418 V CA 1.093 63.386 62.300 -0.011 0.000 1.027 418 V CB -0.439 31.384 31.823 0.000 0.000 0.667 418 V HN 0.915 nan 8.190 nan 0.000 0.457 419 Q N 0.518 120.315 119.800 -0.005 0.000 2.292 419 Q HA 0.654 4.995 4.340 0.002 0.000 0.270 419 Q C -1.525 174.470 176.000 -0.008 0.000 1.024 419 Q CA -0.638 55.162 55.803 -0.006 0.000 0.768 419 Q CB 2.331 31.069 28.738 -0.000 0.000 1.250 419 Q HN 0.255 nan 8.270 nan 0.000 0.447 420 L N 3.500 124.714 121.223 -0.016 0.000 2.372 420 L HA 0.600 4.942 4.340 0.002 0.000 0.274 420 L C -2.761 174.084 176.870 -0.042 0.000 0.988 420 L CA -1.519 53.307 54.840 -0.023 0.000 0.833 420 L CB 1.636 43.684 42.059 -0.018 0.000 1.236 420 L HN 0.514 nan 8.230 nan 0.000 0.410 421 P HA 0.268 nan 4.420 nan 0.000 0.271 421 P C -1.256 175.962 177.300 -0.136 0.000 1.226 421 P CA -0.157 62.888 63.100 -0.092 0.000 0.765 421 P CB 0.989 32.627 31.700 -0.104 0.000 0.835 422 V N 4.975 124.818 119.914 -0.119 0.000 2.326 422 V HA 0.178 4.299 4.120 0.002 0.000 0.281 422 V C 0.147 176.154 176.094 -0.144 0.000 1.015 422 V CA -0.691 61.529 62.300 -0.133 0.000 0.823 422 V CB 1.851 33.634 31.823 -0.068 0.000 1.009 422 V HN 0.243 nan 8.190 nan 0.000 0.436 423 V N 4.867 124.639 119.914 -0.236 0.000 2.406 423 V HA 0.244 4.366 4.120 0.002 0.000 0.272 423 V C 1.267 177.341 176.094 -0.034 0.000 1.043 423 V CA 0.289 62.493 62.300 -0.160 0.000 0.915 423 V CB 1.818 33.485 31.823 -0.261 0.000 0.988 423 V HN 1.023 nan 8.190 nan 0.000 0.466 424 T N 0.180 114.733 114.554 -0.001 0.000 3.223 424 T HA 0.127 4.478 4.350 0.002 0.000 0.259 424 T C 0.666 175.392 174.700 0.043 0.000 1.015 424 T CA -0.282 61.831 62.100 0.022 0.000 0.908 424 T CB -0.176 68.693 68.868 0.001 0.000 1.054 424 T HN 0.450 nan 8.240 nan 0.000 0.567 425 S N 2.369 118.117 115.700 0.079 0.000 2.810 425 S HA -0.022 4.449 4.470 0.002 0.000 0.329 425 S C 1.403 176.029 174.600 0.043 0.000 1.231 425 S CA -0.132 58.114 58.200 0.076 0.000 1.042 425 S CB 0.280 63.560 63.200 0.134 0.000 0.756 425 S HN 0.587 nan 8.310 nan 0.000 0.504 426 S N 1.956 117.669 115.700 0.022 0.000 2.500 426 S HA -0.031 4.440 4.470 0.002 0.000 0.239 426 S C 0.985 175.582 174.600 -0.005 0.000 0.989 426 S CA 0.928 59.130 58.200 0.004 0.000 0.951 426 S CB 0.036 63.238 63.200 0.004 0.000 0.759 426 S HN 0.806 nan 8.310 nan 0.000 0.523 427 T N 0.620 115.178 114.554 0.007 0.000 2.952 427 T HA 0.582 4.933 4.350 0.002 0.000 0.305 427 T C -1.511 173.188 174.700 -0.001 0.000 1.064 427 T CA -0.721 61.377 62.100 -0.004 0.000 1.008 427 T CB 0.615 69.491 68.868 0.013 0.000 1.078 427 T HN -0.132 nan 8.240 nan 0.000 0.459 428 I N 4.380 124.918 120.570 -0.053 0.000 2.336 428 I HA 0.387 4.558 4.170 0.002 0.000 0.292 428 I C 0.077 176.145 176.117 -0.083 0.000 0.991 428 I CA -0.564 60.665 61.300 -0.119 0.000 1.227 428 I CB 1.734 39.587 38.000 -0.246 0.000 1.366 428 I HN 0.351 nan 8.210 nan 0.000 0.466 429 V N 7.832 127.709 119.914 -0.062 0.000 2.427 429 V HA 0.414 4.535 4.120 0.002 0.000 0.268 429 V C 0.386 176.457 176.094 -0.037 0.000 1.046 429 V CA -0.337 61.960 62.300 -0.005 0.000 0.970 429 V CB -0.241 31.575 31.823 -0.012 0.000 1.001 429 V HN 0.648 nan 8.190 nan 0.000 0.476 430 R N 2.841 123.365 120.500 0.039 0.000 2.771 430 R HA 0.478 4.819 4.340 0.002 0.000 0.274 430 R C -0.799 175.624 176.300 0.206 0.000 0.987 430 R CA -0.693 55.408 56.100 0.003 0.000 0.908 430 R CB 1.849 32.007 30.300 -0.236 0.000 1.213 430 R HN 0.703 nan 8.270 nan 0.000 0.468 431 C N 2.230 121.675 119.300 0.241 0.000 2.634 431 C HA 0.075 4.536 4.460 0.002 0.000 0.418 431 C C 1.682 176.644 174.990 -0.048 0.000 1.373 431 C CA -0.041 59.014 59.018 0.062 0.000 1.756 431 C CB -0.281 27.460 27.740 0.002 0.000 2.589 431 C HN 0.844 nan 8.230 nan 0.000 0.602 432 R N 3.051 123.491 120.500 -0.101 0.000 2.241 432 R HA -0.058 4.283 4.340 0.002 0.000 0.224 432 R C 2.091 178.339 176.300 -0.086 0.000 1.101 432 R CA 1.474 57.524 56.100 -0.082 0.000 0.995 432 R CB 0.008 30.254 30.300 -0.090 0.000 0.870 432 R HN 0.781 nan 8.270 nan 0.000 0.463 433 S N 0.009 115.647 115.700 -0.103 0.000 2.357 433 S HA -0.069 4.402 4.470 0.002 0.000 0.209 433 S C 1.874 176.427 174.600 -0.077 0.000 1.023 433 S CA 0.822 58.969 58.200 -0.088 0.000 0.933 433 S CB 0.110 63.251 63.200 -0.099 0.000 0.897 433 S HN 0.632 nan 8.310 nan 0.000 0.529 434 C N 1.747 120.999 119.300 -0.080 0.000 2.754 434 C HA 0.519 4.980 4.460 0.002 0.000 0.276 434 C C 0.642 175.589 174.990 -0.071 0.000 1.264 434 C CA -0.620 58.358 59.018 -0.068 0.000 1.700 434 C CB -1.025 26.675 27.740 -0.066 0.000 1.885 434 C HN 0.456 nan 8.230 nan 0.000 0.607 435 R N 0.046 120.492 120.500 -0.090 0.000 3.946 435 R HA -0.136 4.205 4.340 0.002 0.000 0.329 435 R C 0.061 176.230 176.300 -0.218 0.000 1.209 435 R CA 1.316 57.326 56.100 -0.150 0.000 0.909 435 R CB -3.331 26.871 30.300 -0.163 0.000 1.355 435 R HN 0.689 nan 8.270 nan 0.000 0.539 436 T N 1.303 115.805 114.554 -0.086 0.000 2.916 436 T HA 0.217 4.568 4.350 0.002 0.000 0.303 436 T C 0.456 175.126 174.700 -0.050 0.000 1.025 436 T CA -0.014 62.077 62.100 -0.014 0.000 1.142 436 T CB 0.241 69.165 68.868 0.094 0.000 0.947 436 T HN 0.031 nan 8.240 nan 0.000 0.544 437 Y N 2.465 122.803 120.300 0.063 0.000 2.465 437 Y HA 0.224 4.775 4.550 0.002 0.000 0.331 437 Y C 1.069 176.950 175.900 -0.032 0.000 1.102 437 Y CA -0.589 57.509 58.100 -0.003 0.000 1.358 437 Y CB 0.094 38.559 38.460 0.008 0.000 1.213 437 Y HN 0.544 nan 8.280 nan 0.000 0.525 438 I N 6.320 126.831 120.570 -0.099 0.000 2.826 438 I HA -0.160 4.011 4.170 0.002 0.000 0.295 438 I C -0.064 175.970 176.117 -0.138 0.000 1.213 438 I CA 0.569 61.592 61.300 -0.461 0.000 1.436 438 I CB -0.066 37.449 38.000 -0.808 0.000 1.348 438 I HN 0.855 nan 8.210 nan 0.000 0.570 439 N N 6.163 124.769 118.700 -0.156 0.000 2.831 439 N HA 0.434 5.175 4.740 0.002 0.000 0.276 439 N C -2.714 172.667 175.510 -0.215 0.000 1.416 439 N CA -1.561 51.438 53.050 -0.084 0.000 0.799 439 N CB 1.123 39.638 38.487 0.046 0.000 1.554 439 N HN 0.136 nan 8.380 nan 0.000 0.541 440 P HA 0.036 nan 4.420 nan 0.000 0.223 440 P C 0.118 177.009 177.300 -0.682 0.000 1.144 440 P CA 1.175 63.906 63.100 -0.614 0.000 0.783 440 P CB -0.135 31.013 31.700 -0.921 0.000 0.771 441 F N -1.822 118.158 119.950 0.050 0.000 2.641 441 F HA 0.109 4.638 4.527 0.002 0.000 0.302 441 F C 1.430 177.249 175.800 0.032 0.000 1.098 441 F CA -0.821 57.205 58.000 0.044 0.000 1.318 441 F CB -1.241 37.784 39.000 0.041 0.000 1.035 441 F HN -0.237 nan 8.300 nan 0.000 0.551 442 V N -1.745 118.198 119.914 0.048 0.000 3.697 442 V HA 0.470 4.591 4.120 0.002 0.000 0.285 442 V C 0.411 176.506 176.094 0.003 0.000 1.041 442 V CA -0.645 61.675 62.300 0.033 0.000 1.045 442 V CB 0.804 32.545 31.823 -0.136 0.000 1.227 442 V HN 0.050 nan 8.190 nan 0.000 0.448 443 S N 0.638 116.329 115.700 -0.015 0.000 2.774 443 S HA 0.624 5.095 4.470 0.002 0.000 0.297 443 S C -0.937 173.655 174.600 -0.013 0.000 1.143 443 S CA -0.185 58.025 58.200 0.017 0.000 1.090 443 S CB 0.536 63.775 63.200 0.065 0.000 1.019 443 S HN 0.510 nan 8.310 nan 0.000 0.482 444 F N 3.088 123.124 119.950 0.143 0.000 2.427 444 F HA 0.384 4.912 4.527 0.002 0.000 0.352 444 F C 0.634 176.494 175.800 0.100 0.000 1.100 444 F CA -0.341 57.749 58.000 0.150 0.000 1.191 444 F CB 0.943 40.020 39.000 0.128 0.000 1.128 444 F HN 0.468 nan 8.300 nan 0.000 0.533 445 L N 1.631 123.025 121.223 0.285 0.000 3.223 445 L HA 0.291 4.633 4.340 0.002 0.000 0.168 445 L C 1.313 178.277 176.870 0.156 0.000 1.239 445 L CA 0.813 55.755 54.840 0.169 0.000 0.856 445 L CB -0.406 41.716 42.059 0.104 0.000 1.415 445 L HN 0.383 nan 8.230 nan 0.000 0.562 446 D N 1.027 121.513 120.400 0.143 0.000 2.368 446 D HA -0.126 4.515 4.640 0.002 0.000 0.250 446 D C 0.823 177.207 176.300 0.139 0.000 1.142 446 D CA 0.615 54.685 54.000 0.115 0.000 0.925 446 D CB -0.003 40.851 40.800 0.090 0.000 0.896 446 D HN 0.484 nan 8.370 nan 0.000 0.525 447 Q N -0.341 119.572 119.800 0.189 0.000 2.222 447 Q HA -0.307 4.034 4.340 0.002 0.000 0.207 447 Q C 0.347 176.439 176.000 0.153 0.000 0.743 447 Q CA 1.283 57.179 55.803 0.155 0.000 1.425 447 Q CB -0.377 28.406 28.738 0.075 0.000 1.853 447 Q HN 0.383 nan 8.270 nan 0.000 0.628 448 R N -1.145 119.475 120.500 0.200 0.000 2.527 448 R HA 0.325 4.666 4.340 0.002 0.000 0.402 448 R C -0.468 175.971 176.300 0.231 0.000 0.933 448 R CA -0.203 56.008 56.100 0.185 0.000 1.171 448 R CB 1.092 31.459 30.300 0.111 0.000 1.612 448 R HN -0.032 nan 8.270 nan 0.000 0.546 449 R N 1.341 122.013 120.500 0.287 0.000 2.584 449 R HA 0.321 4.662 4.340 0.002 0.000 0.276 449 R C -1.630 174.853 176.300 0.304 0.000 1.046 449 R CA -0.708 55.524 56.100 0.219 0.000 0.906 449 R CB 2.103 32.457 30.300 0.089 0.000 1.215 449 R HN 0.047 nan 8.270 nan 0.000 0.449 450 W N 2.354 123.658 121.300 0.007 0.000 2.819 450 W HA 0.542 5.203 4.660 0.002 0.000 0.337 450 W C -1.293 175.145 176.519 -0.135 0.000 1.077 450 W CA -1.087 56.145 57.345 -0.189 0.000 1.226 450 W CB 0.948 30.092 29.460 -0.526 0.000 1.419 450 W HN 0.360 nan 8.180 nan 0.000 0.502 451 K N 2.656 123.070 120.400 0.022 0.000 2.211 451 K HA 0.354 4.675 4.320 0.002 0.000 0.275 451 K C -0.320 176.339 176.600 0.098 0.000 1.024 451 K CA -0.381 55.880 56.287 -0.044 0.000 0.887 451 K CB 1.251 33.764 32.500 0.022 0.000 1.084 451 K HN 0.650 nan 8.250 nan 0.000 0.463 452 C N 5.882 125.152 119.300 -0.049 0.000 2.651 452 C HA 0.089 4.551 4.460 0.002 0.000 0.410 452 C C 1.567 176.628 174.990 0.119 0.000 1.372 452 C CA -0.578 58.509 59.018 0.114 0.000 1.707 452 C CB -0.974 26.721 27.740 -0.075 0.000 2.501 452 C HN 1.037 nan 8.230 nan 0.000 0.598 453 N N 4.239 123.036 118.700 0.162 0.000 2.571 453 N HA -0.078 4.663 4.740 0.002 0.000 0.189 453 N C 0.715 176.195 175.510 -0.051 0.000 1.154 453 N CA 0.817 53.934 53.050 0.111 0.000 0.907 453 N CB -0.117 38.461 38.487 0.152 0.000 0.977 453 N HN 0.692 nan 8.380 nan 0.000 0.449 454 L N -0.266 120.880 121.223 -0.128 0.000 2.609 454 L HA 0.206 4.547 4.340 0.002 0.000 0.230 454 L C 1.840 178.424 176.870 -0.476 0.000 1.064 454 L CA 0.408 55.094 54.840 -0.257 0.000 0.873 454 L CB 0.323 42.314 42.059 -0.113 0.000 1.139 454 L HN 0.475 nan 8.230 nan 0.000 0.490 455 C N -4.308 114.723 119.300 -0.449 0.000 3.642 455 C HA 0.351 4.813 4.460 0.002 0.000 0.305 455 C C 0.845 175.611 174.990 -0.373 0.000 1.492 455 C CA -0.492 58.253 59.018 -0.455 0.000 1.809 455 C CB -0.378 27.236 27.740 -0.210 0.000 2.639 455 C HN 0.552 nan 8.230 nan 0.000 0.672 456 Y N 0.265 120.532 120.300 -0.055 0.000 4.929 456 Y HA -0.242 4.310 4.550 0.002 0.000 0.253 456 Y C 0.795 176.631 175.900 -0.108 0.000 0.946 456 Y CA 1.229 59.289 58.100 -0.067 0.000 1.905 456 Y CB -2.257 36.172 38.460 -0.051 0.000 1.400 456 Y HN 0.733 nan 8.280 nan 0.000 0.531 457 R N 1.312 121.787 120.500 -0.042 0.000 2.590 457 R HA 0.472 4.813 4.340 0.002 0.000 0.274 457 R C -0.317 175.840 176.300 -0.237 0.000 1.061 457 R CA -0.120 55.907 56.100 -0.121 0.000 1.081 457 R CB 0.588 30.793 30.300 -0.158 0.000 0.984 457 R HN 0.007 nan 8.270 nan 0.000 0.448 458 V N 5.022 124.803 119.914 -0.222 0.000 2.498 458 V HA 0.227 4.348 4.120 0.002 0.000 0.279 458 V C 0.162 176.005 176.094 -0.417 0.000 1.048 458 V CA -0.441 61.682 62.300 -0.295 0.000 0.967 458 V CB 1.131 32.860 31.823 -0.157 0.000 0.988 458 V HN 0.852 nan 8.190 nan 0.000 0.473 459 N N 2.334 120.602 118.700 -0.720 0.000 2.362 459 N HA 0.386 5.127 4.740 0.002 0.000 0.299 459 N C -1.259 174.035 175.510 -0.360 0.000 1.170 459 N CA -0.757 51.878 53.050 -0.691 0.000 0.825 459 N CB 2.081 39.827 38.487 -1.236 0.000 1.299 459 N HN 0.600 nan 8.380 nan 0.000 0.502 460 D N 1.247 121.585 120.400 -0.104 0.000 2.313 460 D HA 0.143 4.784 4.640 0.002 0.000 0.239 460 D C -0.083 176.351 176.300 0.223 0.000 1.142 460 D CA -0.215 53.824 54.000 0.064 0.000 0.847 460 D CB 1.755 42.579 40.800 0.040 0.000 1.082 460 D HN 0.109 nan 8.370 nan 0.000 0.480 461 V N 5.827 125.942 119.914 0.336 0.000 2.450 461 V HA 0.059 4.180 4.120 0.002 0.000 0.281 461 V C -1.383 174.832 176.094 0.201 0.000 1.019 461 V CA -0.980 61.536 62.300 0.361 0.000 1.062 461 V CB -0.061 31.986 31.823 0.374 0.000 0.979 461 V HN 0.411 nan 8.190 nan 0.000 0.477 462 P HA 0.092 nan 4.420 nan 0.000 0.272 462 P C -0.147 177.199 177.300 0.076 0.000 1.223 462 P CA -0.394 62.769 63.100 0.104 0.000 0.784 462 P CB 0.862 32.617 31.700 0.092 0.000 0.923 463 E N 1.691 121.924 120.200 0.055 0.000 2.323 463 E HA 0.026 4.377 4.350 0.002 0.000 0.313 463 E C -0.424 176.195 176.600 0.030 0.000 1.236 463 E CA 0.418 56.840 56.400 0.038 0.000 1.333 463 E CB -0.609 29.109 29.700 0.030 0.000 1.138 463 E HN 0.332 nan 8.360 nan 0.000 0.492 477 P HA -0.199 nan 4.420 nan 0.000 0.221 477 P C 1.013 177.992 177.300 -0.536 0.000 1.150 477 P CA 1.347 64.198 63.100 -0.414 0.000 0.800 477 P CB -0.008 31.452 31.700 -0.400 0.000 0.787 478 H N -1.615 117.085 119.070 -0.616 0.000 2.563 478 H HA 0.174 4.731 4.556 0.002 0.000 0.272 478 H C 1.800 177.034 175.328 -0.158 0.000 1.005 478 H CA 0.503 56.294 56.048 -0.427 0.000 1.171 478 H CB -0.521 29.031 29.762 -0.349 0.000 1.351 478 H HN -0.066 nan 8.280 nan 0.000 0.602 479 R N 0.215 120.420 120.500 -0.493 0.000 2.290 479 R HA 0.231 4.572 4.340 0.002 0.000 0.197 479 R C 0.305 176.518 176.300 -0.146 0.000 0.913 479 R CA -0.206 55.725 56.100 -0.282 0.000 1.040 479 R CB 0.010 30.096 30.300 -0.357 0.000 0.992 479 R HN 0.131 nan 8.270 nan 0.000 0.500 480 R N 0.364 120.781 120.500 -0.138 0.000 2.698 480 R HA 0.007 4.348 4.340 0.002 0.000 0.266 480 R C -1.731 174.539 176.300 -0.050 0.000 1.026 480 R CA -0.861 55.193 56.100 -0.078 0.000 1.102 480 R CB 0.197 30.465 30.300 -0.054 0.000 0.978 480 R HN -0.019 nan 8.270 nan 0.000 0.436 481 P HA -0.116 nan 4.420 nan 0.000 0.216 481 P C 0.134 177.396 177.300 -0.063 0.000 1.150 481 P CA 1.271 64.335 63.100 -0.060 0.000 0.837 481 P CB 0.198 31.852 31.700 -0.077 0.000 0.786 482 E N -1.065 119.113 120.200 -0.038 0.000 2.267 482 E HA -0.098 4.253 4.350 0.002 0.000 0.197 482 E C 1.464 178.058 176.600 -0.011 0.000 0.998 482 E CA 0.846 57.247 56.400 0.002 0.000 0.830 482 E CB -0.528 29.245 29.700 0.122 0.000 0.751 482 E HN 0.129 nan 8.360 nan 0.000 0.491 483 V N 0.236 120.141 119.914 -0.014 0.000 3.660 483 V HA 0.019 4.140 4.120 0.002 0.000 0.276 483 V C 1.366 177.429 176.094 -0.052 0.000 1.317 483 V CA 0.443 62.734 62.300 -0.015 0.000 1.097 483 V CB 0.290 32.180 31.823 0.113 0.000 0.863 483 V HN 0.144 nan 8.190 nan 0.000 0.438 484 Q N 0.159 119.932 119.800 -0.045 0.000 2.319 484 Q HA 0.274 4.616 4.340 0.002 0.000 0.209 484 Q C 0.014 175.987 176.000 -0.046 0.000 0.884 484 Q CA 0.263 56.043 55.803 -0.038 0.000 0.938 484 Q CB 0.636 29.364 28.738 -0.016 0.000 1.098 484 Q HN 0.567 nan 8.270 nan 0.000 0.517 485 N N -0.236 118.428 118.700 -0.060 0.000 2.346 485 N HA 0.334 5.075 4.740 0.002 0.000 0.289 485 N C -0.112 175.381 175.510 -0.029 0.000 1.027 485 N CA 0.019 53.047 53.050 -0.036 0.000 0.864 485 N CB 2.082 40.539 38.487 -0.049 0.000 1.370 485 N HN -0.069 nan 8.380 nan 0.000 0.481 486 A N 1.304 124.146 122.820 0.038 0.000 2.016 486 A HA 0.040 4.361 4.320 0.002 0.000 0.217 486 A C 0.784 178.461 177.584 0.154 0.000 1.162 486 A CA 1.061 53.176 52.037 0.130 0.000 0.662 486 A CB 0.115 19.278 19.000 0.273 0.000 0.812 486 A HN 0.514 nan 8.150 nan 0.000 0.450 487 T N 0.116 114.734 114.554 0.108 0.000 2.792 487 T HA 0.639 4.990 4.350 0.002 0.000 0.280 487 T C -0.845 173.824 174.700 -0.052 0.000 0.990 487 T CA -0.093 62.051 62.100 0.073 0.000 0.960 487 T CB 1.033 70.019 68.868 0.197 0.000 0.939 487 T HN 0.314 nan 8.240 nan 0.000 0.439 488 I N 1.969 122.445 120.570 -0.156 0.000 2.984 488 I HA 0.459 4.630 4.170 0.002 0.000 0.303 488 I C -1.658 174.276 176.117 -0.306 0.000 1.381 488 I CA -0.730 60.418 61.300 -0.253 0.000 0.988 488 I CB 2.475 40.253 38.000 -0.370 0.000 1.307 488 I HN 0.516 nan 8.210 nan 0.000 0.460 489 E N 4.461 124.469 120.200 -0.320 0.000 2.199 489 E HA 0.484 4.835 4.350 0.002 0.000 0.265 489 E C -1.817 174.606 176.600 -0.295 0.000 0.882 489 E CA -0.552 55.727 56.400 -0.203 0.000 0.759 489 E CB 1.362 31.037 29.700 -0.043 0.000 1.148 489 E HN 0.353 nan 8.360 nan 0.000 0.412 490 F N 2.519 122.433 119.950 -0.059 0.000 2.432 490 F HA 0.401 4.929 4.527 0.002 0.000 0.329 490 F C 0.495 176.258 175.800 -0.063 0.000 1.076 490 F CA -0.974 56.995 58.000 -0.052 0.000 1.018 490 F CB 1.084 40.061 39.000 -0.039 0.000 1.201 490 F HN 0.235 nan 8.300 nan 0.000 0.489 491 M N 2.297 121.979 119.600 0.136 0.000 2.146 491 M HA 0.362 4.843 4.480 0.002 0.000 0.357 491 M C -0.110 176.174 176.300 -0.026 0.000 1.261 491 M CA -0.708 54.607 55.300 0.025 0.000 1.106 491 M CB 0.711 33.314 32.600 0.005 0.000 1.612 491 M HN 0.646 nan 8.290 nan 0.000 0.470 492 A N 7.296 130.067 122.820 -0.082 0.000 2.366 492 A HA 0.672 4.993 4.320 0.002 0.000 0.272 492 A C -2.024 175.414 177.584 -0.243 0.000 1.135 492 A CA -1.035 50.871 52.037 -0.218 0.000 0.804 492 A CB -0.440 18.506 19.000 -0.089 0.000 1.064 492 A HN 0.573 nan 8.150 nan 0.000 0.499 493 P HA 0.089 nan 4.420 nan 0.000 0.274 493 P C 0.974 178.207 177.300 -0.113 0.000 1.256 493 P CA -0.188 62.766 63.100 -0.243 0.000 0.795 493 P CB 0.972 32.496 31.700 -0.294 0.000 1.038 494 S N 0.175 115.852 115.700 -0.037 0.000 2.402 494 S HA -0.205 4.266 4.470 0.002 0.000 0.233 494 S C 1.338 175.982 174.600 0.074 0.000 1.030 494 S CA 1.778 59.986 58.200 0.015 0.000 1.003 494 S CB -0.725 62.482 63.200 0.011 0.000 0.813 494 S HN 0.460 nan 8.310 nan 0.000 0.477 495 E N -0.326 119.950 120.200 0.127 0.000 2.478 495 E HA 0.030 4.381 4.350 0.002 0.000 0.198 495 E C 0.529 177.339 176.600 0.350 0.000 1.046 495 E CA 0.571 57.099 56.400 0.213 0.000 0.870 495 E CB -0.214 29.622 29.700 0.228 0.000 0.818 495 E HN 0.763 nan 8.360 nan 0.000 0.527 496 Y N 0.537 120.836 120.300 -0.000 0.000 2.583 496 Y HA 0.232 4.784 4.550 0.002 0.000 0.294 496 Y C 0.488 176.389 175.900 0.002 0.000 1.170 496 Y CA -0.836 57.266 58.100 0.004 0.000 1.265 496 Y CB -0.100 38.366 38.460 0.011 0.000 1.119 496 Y HN 0.017 nan 8.280 nan 0.000 0.522 497 M N -1.730 117.954 119.600 0.139 0.000 2.324 497 M HA 0.349 4.830 4.480 0.002 0.000 0.288 497 M C -1.170 175.159 176.300 0.048 0.000 1.097 497 M CA -0.882 54.463 55.300 0.076 0.000 0.928 497 M CB 1.875 34.509 32.600 0.057 0.000 1.648 497 M HN -0.102 nan 8.290 nan 0.000 0.460 498 L N 1.997 123.241 121.223 0.034 0.000 2.492 498 L HA 0.276 4.617 4.340 0.002 0.000 0.223 498 L C 0.859 177.739 176.870 0.016 0.000 1.132 498 L CA 0.981 55.834 54.840 0.022 0.000 0.850 498 L CB -0.892 41.178 42.059 0.018 0.000 0.966 498 L HN 0.893 nan 8.230 nan 0.000 0.454 499 R N -3.150 117.360 120.500 0.017 0.000 2.741 499 R HA 0.500 4.841 4.340 0.002 0.000 0.276 499 R C -2.961 173.342 176.300 0.005 0.000 1.028 499 R CA -1.548 54.556 56.100 0.007 0.000 0.865 499 R CB -0.111 30.189 30.300 0.001 0.000 1.268 499 R HN -0.353 nan 8.270 nan 0.000 0.475 500 P HA 0.145 nan 4.420 nan 0.000 0.267 500 P C -2.437 174.856 177.300 -0.012 0.000 1.200 500 P CA -0.782 62.313 63.100 -0.007 0.000 0.772 500 P CB -0.035 31.657 31.700 -0.014 0.000 0.855 501 P HA -0.043 nan 4.420 nan 0.000 0.260 501 P C -0.348 176.929 177.300 -0.039 0.000 1.185 501 P CA 0.292 63.386 63.100 -0.011 0.000 0.763 501 P CB 0.036 31.732 31.700 -0.007 0.000 0.776 502 Q N 6.461 126.228 119.800 -0.055 0.000 2.373 502 Q HA 0.344 4.686 4.340 0.002 0.000 0.255 502 Q C -2.240 173.633 176.000 -0.212 0.000 0.980 502 Q CA -1.679 54.048 55.803 -0.126 0.000 0.882 502 Q CB -0.047 28.604 28.738 -0.145 0.000 1.249 502 Q HN 0.312 nan 8.270 nan 0.000 0.438 503 P HA 0.245 nan 4.420 nan 0.000 0.276 503 P C -2.596 174.370 177.300 -0.557 0.000 1.261 503 P CA -1.826 61.107 63.100 -0.278 0.000 0.800 503 P CB 0.282 31.870 31.700 -0.186 0.000 1.066 504 P HA 0.145 nan 4.420 nan 0.000 0.280 504 P C -0.830 176.016 177.300 -0.757 0.000 1.244 504 P CA -0.049 62.492 63.100 -0.931 0.000 0.784 504 P CB 0.708 32.204 31.700 -0.341 0.000 0.913 505 V N 5.000 124.381 119.914 -0.889 0.000 2.525 505 V HA 0.291 4.412 4.120 0.002 0.000 0.299 505 V C -0.943 174.792 176.094 -0.599 0.000 1.034 505 V CA -0.495 61.460 62.300 -0.574 0.000 0.863 505 V CB 1.271 32.885 31.823 -0.348 0.000 0.999 505 V HN 0.360 nan 8.190 nan 0.000 0.423 506 Y N 5.087 125.334 120.300 -0.087 0.000 2.328 506 Y HA 0.719 5.270 4.550 0.002 0.000 0.333 506 Y C -0.342 175.331 175.900 -0.377 0.000 0.958 506 Y CA -1.046 56.924 58.100 -0.216 0.000 1.167 506 Y CB 1.810 40.209 38.460 -0.101 0.000 1.151 506 Y HN 0.545 nan 8.280 nan 0.000 0.470 507 L N 5.018 126.036 121.223 -0.341 0.000 2.325 507 L HA 0.658 4.999 4.340 0.002 0.000 0.281 507 L C -1.794 174.772 176.870 -0.506 0.000 1.004 507 L CA -0.904 53.735 54.840 -0.335 0.000 0.823 507 L CB 0.261 42.227 42.059 -0.155 0.000 1.236 507 L HN 0.340 nan 8.230 nan 0.000 0.415 508 F N 4.894 124.694 119.950 -0.250 0.000 2.415 508 F HA 0.602 5.130 4.527 0.002 0.000 0.348 508 F C 0.010 175.539 175.800 -0.452 0.000 1.119 508 F CA -0.701 57.112 58.000 -0.313 0.000 1.069 508 F CB 1.762 40.529 39.000 -0.389 0.000 1.124 508 F HN 0.125 nan 8.300 nan 0.000 0.472 509 V N 4.797 124.602 119.914 -0.181 0.000 2.378 509 V HA 0.415 4.537 4.120 0.002 0.000 0.288 509 V C -0.600 175.599 176.094 0.175 0.000 1.016 509 V CA -1.008 61.287 62.300 -0.010 0.000 0.840 509 V CB 0.894 32.766 31.823 0.082 0.000 0.994 509 V HN 0.513 nan 8.190 nan 0.000 0.431 510 F N 2.195 122.429 119.950 0.473 0.000 2.482 510 F HA 0.463 4.991 4.527 0.002 0.000 0.331 510 F C 0.360 176.129 175.800 -0.052 0.000 1.115 510 F CA -0.803 57.389 58.000 0.319 0.000 0.955 510 F CB 1.620 40.688 39.000 0.112 0.000 1.136 510 F HN 0.429 nan 8.300 nan 0.000 0.452 511 D N 2.403 122.807 120.400 0.005 0.000 2.351 511 D HA 0.208 4.850 4.640 0.002 0.000 0.251 511 D C 0.226 176.341 176.300 -0.307 0.000 1.137 511 D CA 0.000 53.599 54.000 -0.670 0.000 0.879 511 D CB 1.731 42.359 40.800 -0.288 0.000 1.181 511 D HN 0.399 nan 8.370 nan 0.000 0.448 512 V N 1.150 120.771 119.914 -0.488 0.000 3.111 512 V HA 0.248 4.369 4.120 0.002 0.000 0.343 512 V C 0.634 176.565 176.094 -0.272 0.000 1.417 512 V CA -0.015 62.016 62.300 -0.448 0.000 1.142 512 V CB -0.723 30.488 31.823 -1.019 0.000 1.114 512 V HN 0.483 nan 8.190 nan 0.000 0.520 513 S N -0.616 114.977 115.700 -0.178 0.000 2.598 513 S HA 0.093 4.564 4.470 0.002 0.000 0.256 513 S C 1.265 175.903 174.600 0.063 0.000 1.350 513 S CA 0.859 59.037 58.200 -0.037 0.000 0.984 513 S CB 0.017 63.201 63.200 -0.027 0.000 0.930 513 S HN 0.688 nan 8.310 nan 0.000 0.577 514 H N 1.011 120.084 119.070 0.004 0.000 2.289 514 H HA -0.209 4.349 4.556 0.002 0.000 0.296 514 H C 2.294 177.639 175.328 0.029 0.000 1.091 514 H CA 2.024 58.086 56.048 0.024 0.000 1.274 514 H CB -0.326 29.458 29.762 0.037 0.000 1.364 514 H HN 0.794 nan 8.280 nan 0.000 0.490 515 N N 0.609 119.272 118.700 -0.061 0.000 2.069 515 N HA -0.167 4.574 4.740 0.002 0.000 0.191 515 N C 2.137 177.637 175.510 -0.017 0.000 1.031 515 N CA 1.405 54.390 53.050 -0.108 0.000 0.852 515 N CB -0.249 38.211 38.487 -0.046 0.000 1.018 515 N HN 0.457 nan 8.380 nan 0.000 0.423 516 A N 1.065 123.898 122.820 0.022 0.000 1.883 516 A HA -0.096 4.225 4.320 0.002 0.000 0.217 516 A C 2.587 180.200 177.584 0.049 0.000 1.186 516 A CA 1.612 53.710 52.037 0.101 0.000 0.624 516 A CB -0.973 18.101 19.000 0.123 0.000 0.822 516 A HN 0.215 nan 8.150 nan 0.000 0.444 517 V N 0.180 120.093 119.914 -0.003 0.000 2.332 517 V HA -0.261 3.861 4.120 0.002 0.000 0.248 517 V C 2.632 178.695 176.094 -0.052 0.000 1.055 517 V CA 2.499 64.778 62.300 -0.035 0.000 1.038 517 V CB -0.704 31.155 31.823 0.059 0.000 0.651 517 V HN 0.750 nan 8.190 nan 0.000 0.450 518 E N 0.767 120.960 120.200 -0.012 0.000 2.204 518 E HA -0.191 4.161 4.350 0.002 0.000 0.195 518 E C 2.194 178.747 176.600 -0.079 0.000 0.990 518 E CA 1.727 58.120 56.400 -0.012 0.000 0.821 518 E CB -0.420 29.265 29.700 -0.025 0.000 0.750 518 E HN 0.775 nan 8.360 nan 0.000 0.477 519 T N -3.544 110.987 114.554 -0.038 0.000 2.951 519 T HA 0.067 4.418 4.350 0.002 0.000 0.268 519 T C 1.739 176.453 174.700 0.023 0.000 1.073 519 T CA 1.022 63.120 62.100 -0.004 0.000 1.134 519 T CB -0.480 68.505 68.868 0.195 0.000 0.884 519 T HN 0.382 nan 8.240 nan 0.000 0.479 520 G N 1.099 109.805 108.800 -0.157 0.000 2.148 520 G HA2 -0.384 3.578 3.960 0.002 0.000 0.254 520 G HA3 -0.384 3.578 3.960 0.002 0.000 0.254 520 G C 0.464 175.259 174.900 -0.175 0.000 0.981 520 G CA 0.787 45.668 45.100 -0.365 0.000 0.670 520 G HN 0.882 nan 8.290 nan 0.000 0.528 521 Y N -0.508 119.673 120.300 -0.198 0.000 2.181 521 Y HA 0.147 4.698 4.550 0.002 0.000 0.288 521 Y C 2.428 178.082 175.900 -0.410 0.000 1.146 521 Y CA 1.416 59.276 58.100 -0.399 0.000 1.164 521 Y CB -0.598 37.463 38.460 -0.664 0.000 0.982 521 Y HN 0.264 nan 8.280 nan 0.000 0.515 522 L N 0.782 121.125 121.223 -1.468 0.000 2.081 522 L HA -0.316 4.025 4.340 0.002 0.000 0.212 522 L C 1.711 178.131 176.870 -0.750 0.000 1.080 522 L CA 2.216 56.267 54.840 -1.316 0.000 0.754 522 L CB -0.535 40.825 42.059 -1.164 0.000 0.893 522 L HN 0.401 nan 8.230 nan 0.000 0.433 523 N N -0.454 117.929 118.700 -0.528 0.000 2.043 523 N HA -0.203 4.538 4.740 0.002 0.000 0.193 523 N C 1.977 177.308 175.510 -0.299 0.000 1.037 523 N CA 1.839 54.669 53.050 -0.365 0.000 0.851 523 N CB -0.370 37.947 38.487 -0.283 0.000 1.027 523 N HN 0.421 nan 8.380 nan 0.000 0.422 524 S N 0.078 115.637 115.700 -0.235 0.000 2.368 524 S HA -0.071 4.400 4.470 0.002 0.000 0.224 524 S C 2.122 176.587 174.600 -0.226 0.000 1.029 524 S CA 1.002 59.104 58.200 -0.164 0.000 0.988 524 S CB -0.879 62.290 63.200 -0.052 0.000 0.838 524 S HN 0.070 nan 8.310 nan 0.000 0.462 525 V N 1.646 121.365 119.914 -0.326 0.000 2.255 525 V HA -0.238 3.883 4.120 0.002 0.000 0.247 525 V C 2.933 178.790 176.094 -0.395 0.000 1.051 525 V CA 1.921 63.984 62.300 -0.394 0.000 1.018 525 V CB -1.195 30.250 31.823 -0.630 0.000 0.641 525 V HN 0.688 nan 8.190 nan 0.000 0.445 526 C N -0.749 118.265 119.300 -0.476 0.000 2.413 526 C HA -0.181 4.281 4.460 0.002 0.000 0.277 526 C C 2.854 177.678 174.990 -0.277 0.000 1.265 526 C CA 1.371 60.149 59.018 -0.400 0.000 1.752 526 C CB -0.919 26.558 27.740 -0.438 0.000 1.998 526 C HN 0.620 nan 8.230 nan 0.000 0.489 527 Q N 1.113 120.768 119.800 -0.243 0.000 2.119 527 Q HA -0.102 4.239 4.340 0.002 0.000 0.201 527 Q C 2.266 178.181 176.000 -0.142 0.000 0.972 527 Q CA 1.957 57.656 55.803 -0.173 0.000 0.847 527 Q CB -0.339 28.310 28.738 -0.149 0.000 0.903 527 Q HN 0.606 nan 8.270 nan 0.000 0.433 528 S N -0.196 115.416 115.700 -0.147 0.000 2.383 528 S HA -0.019 4.452 4.470 0.002 0.000 0.227 528 S C 1.724 176.260 174.600 -0.106 0.000 1.026 528 S CA 0.728 58.865 58.200 -0.105 0.000 0.981 528 S CB -0.212 62.937 63.200 -0.085 0.000 0.818 528 S HN 0.361 nan 8.310 nan 0.000 0.472 529 L N 1.049 122.177 121.223 -0.158 0.000 1.994 529 L HA -0.095 4.247 4.340 0.002 0.000 0.208 529 L C 2.279 179.085 176.870 -0.106 0.000 1.071 529 L CA 1.176 55.919 54.840 -0.161 0.000 0.745 529 L CB -0.485 41.421 42.059 -0.256 0.000 0.892 529 L HN 0.319 nan 8.230 nan 0.000 0.431 530 L N -0.339 120.815 121.223 -0.116 0.000 1.990 530 L HA -0.321 4.020 4.340 0.002 0.000 0.213 530 L C 2.302 179.135 176.870 -0.062 0.000 1.072 530 L CA 1.590 56.378 54.840 -0.086 0.000 0.755 530 L CB -0.674 41.323 42.059 -0.103 0.000 0.889 530 L HN 0.380 nan 8.230 nan 0.000 0.432 531 D N -0.299 120.061 120.400 -0.066 0.000 2.178 531 D HA -0.146 4.496 4.640 0.002 0.000 0.201 531 D C 1.360 177.639 176.300 -0.036 0.000 0.980 531 D CA 1.107 55.077 54.000 -0.049 0.000 0.842 531 D CB -0.224 40.544 40.800 -0.052 0.000 0.948 531 D HN 0.439 nan 8.370 nan 0.000 0.472 532 N N 0.280 118.958 118.700 -0.037 0.000 2.203 532 N HA 0.013 4.754 4.740 0.002 0.000 0.207 532 N C 1.559 177.059 175.510 -0.018 0.000 1.130 532 N CA -0.183 52.852 53.050 -0.025 0.000 0.861 532 N CB 0.766 39.239 38.487 -0.023 0.000 1.005 532 N HN 0.043 nan 8.380 nan 0.000 0.507 533 L N 1.737 122.952 121.223 -0.013 0.000 2.081 533 L HA -0.164 4.177 4.340 0.002 0.000 0.212 533 L C 1.403 178.289 176.870 0.026 0.000 1.080 533 L CA 1.823 56.671 54.840 0.012 0.000 0.754 533 L CB -0.315 41.756 42.059 0.019 0.000 0.893 533 L HN 0.074 nan 8.230 nan 0.000 0.433 534 D N -1.372 119.039 120.400 0.018 0.000 2.347 534 D HA -0.014 4.627 4.640 0.002 0.000 0.213 534 D C 2.039 178.354 176.300 0.025 0.000 0.985 534 D CA 0.610 54.626 54.000 0.026 0.000 0.879 534 D CB 0.287 41.098 40.800 0.018 0.000 0.919 534 D HN 0.374 nan 8.370 nan 0.000 0.526 535 L N 0.259 121.490 121.223 0.012 0.000 2.585 535 L HA 0.168 4.509 4.340 0.002 0.000 0.226 535 L C 0.799 177.673 176.870 0.007 0.000 1.113 535 L CA -0.049 54.796 54.840 0.009 0.000 0.876 535 L CB 0.207 42.264 42.059 -0.003 0.000 1.072 535 L HN -0.153 nan 8.230 nan 0.000 0.468 536 L N 2.164 123.383 121.223 -0.006 0.000 2.559 536 L HA 0.057 4.398 4.340 0.002 0.000 0.274 536 L C -1.896 175.022 176.870 0.080 0.000 1.205 536 L CA -1.496 53.315 54.840 -0.049 0.000 0.907 536 L CB -0.327 41.658 42.059 -0.122 0.000 1.153 536 L HN -0.179 nan 8.230 nan 0.000 0.490 537 P HA 0.238 nan 4.420 nan 0.000 0.266 537 P C 0.067 177.560 177.300 0.321 0.000 1.195 537 P CA 0.178 63.407 63.100 0.216 0.000 0.768 537 P CB 0.857 32.693 31.700 0.227 0.000 0.838 538 G N 1.551 110.489 108.800 0.230 0.000 2.347 538 G HA2 0.222 4.183 3.960 0.002 0.000 0.321 538 G HA3 0.222 4.183 3.960 0.002 0.000 0.321 538 G C -1.139 173.839 174.900 0.129 0.000 1.412 538 G CA -0.778 44.442 45.100 0.199 0.000 0.990 538 G HN 0.616 nan 8.290 nan 0.000 0.637 539 N N -1.902 116.854 118.700 0.094 0.000 2.909 539 N HA 0.563 5.305 4.740 0.002 0.000 0.326 539 N C 1.664 177.208 175.510 0.056 0.000 1.368 539 N CA 0.663 53.753 53.050 0.066 0.000 0.797 539 N CB -0.430 38.087 38.487 0.051 0.000 1.150 539 N HN 0.954 nan 8.380 nan 0.000 0.550 540 T N -3.080 111.498 114.554 0.040 0.000 3.051 540 T HA 0.029 4.380 4.350 0.002 0.000 0.269 540 T C 1.152 175.867 174.700 0.024 0.000 1.127 540 T CA 0.641 62.761 62.100 0.034 0.000 1.107 540 T CB -0.306 68.578 68.868 0.026 0.000 0.898 540 T HN 0.342 nan 8.240 nan 0.000 0.517 541 R N 0.944 121.451 120.500 0.012 0.000 2.299 541 R HA 0.106 4.447 4.340 0.002 0.000 0.197 541 R C 0.389 176.674 176.300 -0.025 0.000 0.971 541 R CA 0.125 56.217 56.100 -0.013 0.000 1.030 541 R CB -0.303 29.977 30.300 -0.034 0.000 0.932 541 R HN 0.332 nan 8.270 nan 0.000 0.477 542 T N 2.407 116.967 114.554 0.010 0.000 2.905 542 T HA -0.001 4.351 4.350 0.002 0.000 0.299 542 T C 0.245 174.958 174.700 0.021 0.000 1.024 542 T CA 0.913 63.027 62.100 0.023 0.000 1.151 542 T CB 0.569 69.518 68.868 0.135 0.000 0.987 542 T HN 0.064 nan 8.240 nan 0.000 0.535 543 K N 2.501 122.882 120.400 -0.031 0.000 2.318 543 K HA 0.733 5.055 4.320 0.002 0.000 0.249 543 K C -0.650 175.969 176.600 0.032 0.000 0.942 543 K CA -0.817 55.464 56.287 -0.011 0.000 0.808 543 K CB 2.551 35.010 32.500 -0.069 0.000 1.189 543 K HN 0.494 nan 8.250 nan 0.000 0.428 544 I N 0.175 120.785 120.570 0.067 0.000 2.802 544 I HA 0.618 4.789 4.170 0.002 0.000 0.298 544 I C -1.080 175.011 176.117 -0.044 0.000 1.176 544 I CA -0.342 60.994 61.300 0.061 0.000 1.025 544 I CB 2.199 40.303 38.000 0.174 0.000 1.243 544 I HN 0.758 nan 8.210 nan 0.000 0.424 545 G N 4.646 113.294 108.800 -0.254 0.000 2.708 545 G HA2 0.734 4.695 3.960 0.002 0.000 0.289 545 G HA3 0.734 4.695 3.960 0.002 0.000 0.289 545 G C -2.106 172.440 174.900 -0.590 0.000 1.416 545 G CA -0.488 44.485 45.100 -0.212 0.000 0.829 545 G HN 0.403 nan 8.290 nan 0.000 0.480 546 F N -0.787 119.308 119.950 0.243 0.000 2.601 546 F HA 0.717 5.245 4.527 0.002 0.000 0.309 546 F C -0.155 175.824 175.800 0.299 0.000 1.089 546 F CA -0.704 57.426 58.000 0.218 0.000 0.940 546 F CB 2.644 41.727 39.000 0.139 0.000 1.273 546 F HN 0.251 nan 8.300 nan 0.000 0.450 547 I N 1.452 122.245 120.570 0.371 0.000 2.656 547 I HA 0.515 4.686 4.170 0.002 0.000 0.292 547 I C -0.788 175.555 176.117 0.376 0.000 1.144 547 I CA -0.574 60.892 61.300 0.277 0.000 1.038 547 I CB 2.856 40.817 38.000 -0.065 0.000 1.244 547 I HN 0.712 nan 8.210 nan 0.000 0.420 548 T N 2.037 116.863 114.554 0.454 0.000 2.930 548 T HA 0.892 5.243 4.350 0.002 0.000 0.290 548 T C -0.759 173.967 174.700 0.045 0.000 1.052 548 T CA -0.735 61.584 62.100 0.366 0.000 1.017 548 T CB 2.217 71.349 68.868 0.439 0.000 1.137 548 T HN 0.508 nan 8.240 nan 0.000 0.511 549 F N -0.584 119.169 119.950 -0.329 0.000 2.703 549 F HA 0.719 5.247 4.527 0.002 0.000 0.308 549 F C -1.214 174.439 175.800 -0.246 0.000 1.126 549 F CA -1.005 56.667 58.000 -0.546 0.000 0.959 549 F CB 0.799 39.610 39.000 -0.315 0.000 1.297 549 F HN 0.737 nan 8.300 nan 0.000 0.441 550 D N -0.027 120.306 120.400 -0.112 0.000 3.171 550 D HA 0.168 4.809 4.640 0.002 0.000 0.125 550 D C 1.067 177.431 176.300 0.106 0.000 1.374 550 D CA 0.647 54.635 54.000 -0.020 0.000 1.496 550 D CB -0.545 40.285 40.800 0.051 0.000 1.853 550 D HN 0.445 nan 8.370 nan 0.000 0.273 551 S N -0.884 114.888 115.700 0.120 0.000 2.527 551 S HA 0.208 4.680 4.470 0.002 0.000 0.222 551 S C 0.810 175.483 174.600 0.122 0.000 0.985 551 S CA 0.722 58.992 58.200 0.115 0.000 0.921 551 S CB -0.948 62.314 63.200 0.103 0.000 0.772 551 S HN 0.750 nan 8.310 nan 0.000 0.529 552 T N -0.718 113.926 114.554 0.151 0.000 2.887 552 T HA 0.730 5.082 4.350 0.002 0.000 0.292 552 T C -0.661 174.021 174.700 -0.029 0.000 1.087 552 T CA -1.111 61.073 62.100 0.141 0.000 1.009 552 T CB 1.141 70.166 68.868 0.261 0.000 1.203 552 T HN 0.176 nan 8.240 nan 0.000 0.518 553 I N 1.901 122.460 120.570 -0.018 0.000 2.321 553 I HA 0.339 4.510 4.170 0.002 0.000 0.291 553 I C -0.384 175.690 176.117 -0.073 0.000 0.998 553 I CA -0.908 60.282 61.300 -0.184 0.000 1.227 553 I CB 0.807 38.698 38.000 -0.181 0.000 1.368 553 I HN 0.710 nan 8.210 nan 0.000 0.466 554 H N 6.082 125.106 119.070 -0.075 0.000 2.595 554 H HA 0.443 5.001 4.556 0.002 0.000 0.313 554 H C -0.969 174.233 175.328 -0.209 0.000 1.023 554 H CA -0.717 55.277 56.048 -0.090 0.000 1.218 554 H CB 0.904 30.676 29.762 0.016 0.000 1.403 554 H HN 0.364 nan 8.280 nan 0.000 0.477 555 F N 1.684 121.616 119.950 -0.029 0.000 2.403 555 F HA 0.330 4.858 4.527 0.002 0.000 0.326 555 F C -0.289 175.393 175.800 -0.197 0.000 1.081 555 F CA -0.682 57.328 58.000 0.016 0.000 1.041 555 F CB 0.953 39.963 39.000 0.016 0.000 1.234 555 F HN 0.451 nan 8.300 nan 0.000 0.503 556 Y N 0.280 120.813 120.300 0.387 0.000 2.326 556 Y HA 0.502 5.053 4.550 0.002 0.000 0.329 556 Y C 0.434 176.476 175.900 0.237 0.000 0.973 556 Y CA -1.170 57.099 58.100 0.282 0.000 1.162 556 Y CB 1.566 40.192 38.460 0.277 0.000 1.147 556 Y HN 0.668 nan 8.280 nan 0.000 0.456 557 G N 3.800 112.755 108.800 0.259 0.000 2.395 557 G HA2 0.616 4.578 3.960 0.002 0.000 0.283 557 G HA3 0.616 4.578 3.960 0.002 0.000 0.283 557 G C -1.105 173.905 174.900 0.184 0.000 1.178 557 G CA -0.612 44.600 45.100 0.186 0.000 0.837 557 G HN 0.581 nan 8.290 nan 0.000 0.518 558 L N 1.860 123.178 121.223 0.159 0.000 2.406 558 L HA 0.425 4.766 4.340 0.002 0.000 0.270 558 L C -0.369 176.558 176.870 0.095 0.000 0.982 558 L CA -0.449 54.471 54.840 0.133 0.000 0.843 558 L CB 1.783 43.938 42.059 0.160 0.000 1.225 558 L HN 0.451 nan 8.230 nan 0.000 0.412 559 Q N 1.544 121.388 119.800 0.073 0.000 2.323 559 Q HA 0.209 4.550 4.340 0.002 0.000 0.271 559 Q C 0.237 176.262 176.000 0.043 0.000 1.048 559 Q CA -0.552 55.283 55.803 0.054 0.000 0.792 559 Q CB 3.274 32.039 28.738 0.046 0.000 1.280 559 Q HN 0.569 nan 8.270 nan 0.000 0.441 560 E N 0.947 121.169 120.200 0.037 0.000 2.265 560 E HA -0.175 4.176 4.350 0.002 0.000 0.196 560 E C 1.305 177.919 176.600 0.023 0.000 0.996 560 E CA 1.601 58.019 56.400 0.029 0.000 0.832 560 E CB 0.326 30.041 29.700 0.026 0.000 0.756 560 E HN 0.678 nan 8.360 nan 0.000 0.491 561 S N -0.180 115.534 115.700 0.023 0.000 2.428 561 S HA -0.016 4.455 4.470 0.002 0.000 0.230 561 S C 1.014 175.625 174.600 0.018 0.000 1.014 561 S CA 0.138 58.349 58.200 0.018 0.000 0.957 561 S CB -0.187 63.024 63.200 0.018 0.000 0.784 561 S HN 0.110 nan 8.310 nan 0.000 0.499 562 L N 1.471 122.708 121.223 0.022 0.000 2.379 562 L HA 0.365 4.707 4.340 0.002 0.000 0.269 562 L C 1.235 178.116 176.870 0.018 0.000 1.084 562 L CA -0.577 54.276 54.840 0.021 0.000 0.802 562 L CB 1.110 43.185 42.059 0.028 0.000 1.175 562 L HN 0.096 nan 8.230 nan 0.000 0.448 563 S N 0.135 115.842 115.700 0.013 0.000 2.453 563 S HA -0.064 4.407 4.470 0.002 0.000 0.231 563 S C 0.221 174.826 174.600 0.007 0.000 1.005 563 S CA 0.599 58.804 58.200 0.007 0.000 0.949 563 S CB -0.130 63.071 63.200 0.002 0.000 0.774 563 S HN 0.730 nan 8.310 nan 0.000 0.510 564 Q N -0.422 119.387 119.800 0.015 0.000 2.633 564 Q HA 0.430 4.771 4.340 0.002 0.000 0.289 564 Q C -3.400 172.624 176.000 0.040 0.000 0.940 564 Q CA -2.019 53.795 55.803 0.018 0.000 0.785 564 Q CB 0.609 29.351 28.738 0.006 0.000 1.467 564 Q HN -0.096 nan 8.270 nan 0.000 0.401 565 P HA -0.038 nan 4.420 nan 0.000 0.269 565 P C -1.210 176.159 177.300 0.116 0.000 1.209 565 P CA 0.111 63.277 63.100 0.109 0.000 0.776 565 P CB 0.574 32.359 31.700 0.141 0.000 0.876 566 Q N 1.556 121.431 119.800 0.125 0.000 2.307 566 Q HA 0.550 4.892 4.340 0.002 0.000 0.262 566 Q C -0.499 175.526 176.000 0.042 0.000 0.961 566 Q CA -0.820 55.029 55.803 0.076 0.000 0.882 566 Q CB 1.655 30.426 28.738 0.054 0.000 1.264 566 Q HN 0.407 nan 8.270 nan 0.000 0.446 567 M N 4.880 124.454 119.600 -0.043 0.000 2.094 567 M HA 0.296 4.777 4.480 0.002 0.000 0.348 567 M C -1.662 174.575 176.300 -0.105 0.000 1.267 567 M CA -0.542 54.619 55.300 -0.233 0.000 1.125 567 M CB 0.350 32.817 32.600 -0.222 0.000 1.527 567 M HN 0.709 nan 8.290 nan 0.000 0.447 568 L N 6.497 127.692 121.223 -0.046 0.000 2.259 568 L HA 0.408 4.750 4.340 0.002 0.000 0.288 568 L C -0.616 176.341 176.870 0.144 0.000 1.051 568 L CA -0.674 54.198 54.840 0.053 0.000 0.824 568 L CB 0.647 42.739 42.059 0.055 0.000 1.206 568 L HN 0.540 nan 8.230 nan 0.000 0.429 569 I N 4.647 125.284 120.570 0.112 0.000 2.304 569 I HA 0.215 4.386 4.170 0.002 0.000 0.291 569 I C 0.218 176.427 176.117 0.154 0.000 1.018 569 I CA -0.572 60.830 61.300 0.171 0.000 1.260 569 I CB 1.473 39.546 38.000 0.121 0.000 1.390 569 I HN 0.144 nan 8.210 nan 0.000 0.475 570 V N 6.822 126.829 119.914 0.155 0.000 2.348 570 V HA 0.189 4.311 4.120 0.002 0.000 0.270 570 V C 1.175 177.330 176.094 0.101 0.000 1.037 570 V CA -0.043 62.285 62.300 0.047 0.000 0.872 570 V CB 1.340 33.090 31.823 -0.121 0.000 1.002 570 V HN 0.933 nan 8.190 nan 0.000 0.464 571 S N 1.796 117.573 115.700 0.128 0.000 2.524 571 S HA 0.077 4.548 4.470 0.002 0.000 0.215 571 S C 0.680 175.350 174.600 0.118 0.000 0.986 571 S CA -0.199 58.075 58.200 0.123 0.000 0.911 571 S CB 0.058 63.329 63.200 0.119 0.000 0.805 571 S HN 0.691 nan 8.310 nan 0.000 0.501 572 D N 2.496 122.985 120.400 0.149 0.000 2.508 572 D HA 0.164 4.805 4.640 0.002 0.000 0.224 572 D C 1.108 177.482 176.300 0.123 0.000 1.171 572 D CA -0.420 53.670 54.000 0.150 0.000 1.006 572 D CB -0.110 40.823 40.800 0.223 0.000 1.073 572 D HN 0.104 nan 8.370 nan 0.000 0.513 573 I N 1.989 122.611 120.570 0.086 0.000 2.315 573 I HA -0.221 3.950 4.170 0.002 0.000 0.251 573 I C 1.480 177.630 176.117 0.055 0.000 1.125 573 I CA 1.090 62.425 61.300 0.060 0.000 1.392 573 I CB -0.561 37.465 38.000 0.043 0.000 1.065 573 I HN 0.291 nan 8.210 nan 0.000 0.424 574 E N -0.060 120.178 120.200 0.063 0.000 2.465 574 E HA -0.008 4.343 4.350 0.002 0.000 0.191 574 E C -0.151 176.497 176.600 0.079 0.000 1.053 574 E CA 0.177 56.611 56.400 0.056 0.000 0.869 574 E CB 0.020 29.746 29.700 0.043 0.000 0.977 574 E HN 0.278 nan 8.360 nan 0.000 0.483 575 D N -0.212 120.257 120.400 0.117 0.000 3.250 575 D HA 0.008 4.649 4.640 0.002 0.000 0.252 575 D C -0.609 175.842 176.300 0.252 0.000 1.342 575 D CA -0.283 53.809 54.000 0.153 0.000 0.807 575 D CB 0.084 40.962 40.800 0.130 0.000 1.449 575 D HN -0.067 nan 8.370 nan 0.000 0.610 576 V N 0.205 120.240 119.914 0.202 0.000 3.237 576 V HA 0.773 4.894 4.120 0.002 0.000 0.305 576 V C 0.070 176.344 176.094 0.300 0.000 1.096 576 V CA 0.176 62.587 62.300 0.186 0.000 1.130 576 V CB 0.343 32.233 31.823 0.112 0.000 1.048 576 V HN 0.332 nan 8.190 nan 0.000 0.484 577 F N 0.892 120.910 119.950 0.113 0.000 2.773 577 F HA 0.723 5.251 4.527 0.002 0.000 0.314 577 F C -1.176 174.604 175.800 -0.034 0.000 1.160 577 F CA -1.616 56.410 58.000 0.044 0.000 0.920 577 F CB 1.075 40.082 39.000 0.012 0.000 1.323 577 F HN 0.401 nan 8.300 nan 0.000 0.457 578 I N 3.456 124.043 120.570 0.029 0.000 2.312 578 I HA 0.223 4.395 4.170 0.002 0.000 0.291 578 I C -1.392 174.640 176.117 -0.141 0.000 1.031 578 I CA -2.317 58.812 61.300 -0.286 0.000 1.293 578 I CB 0.778 38.690 38.000 -0.147 0.000 1.403 578 I HN 0.553 nan 8.210 nan 0.000 0.484 579 P HA -0.065 nan 4.420 nan 0.000 0.221 579 P C 0.357 177.626 177.300 -0.052 0.000 1.150 579 P CA 1.027 64.073 63.100 -0.090 0.000 0.800 579 P CB 0.948 32.496 31.700 -0.253 0.000 0.787 580 M N -0.142 119.375 119.600 -0.138 0.000 2.501 580 M HA 0.368 4.850 4.480 0.002 0.000 0.293 580 M C -2.108 174.156 176.300 -0.059 0.000 1.192 580 M CA -2.334 52.927 55.300 -0.064 0.000 0.886 580 M CB 3.165 35.735 32.600 -0.050 0.000 1.710 580 M HN -0.377 nan 8.290 nan 0.000 0.457 581 P HA 0.078 nan 4.420 nan 0.000 0.230 581 P C -0.489 176.802 177.300 -0.014 0.000 1.168 581 P CA 0.865 63.952 63.100 -0.022 0.000 0.793 581 P CB 0.564 32.255 31.700 -0.014 0.000 0.851 582 E N -0.758 119.439 120.200 -0.005 0.000 2.416 582 E HA 0.284 4.635 4.350 0.002 0.000 0.273 582 E C -0.298 176.318 176.600 0.026 0.000 0.935 582 E CA -0.646 55.759 56.400 0.009 0.000 0.784 582 E CB 0.971 30.677 29.700 0.010 0.000 1.301 582 E HN -0.239 nan 8.360 nan 0.000 0.454 583 N N 0.719 119.444 118.700 0.042 0.000 2.878 583 N HA -0.198 4.543 4.740 0.002 0.000 0.247 583 N C 0.688 176.262 175.510 0.107 0.000 1.021 583 N CA 1.153 54.245 53.050 0.070 0.000 0.873 583 N CB -1.182 37.345 38.487 0.067 0.000 1.128 583 N HN 0.496 nan 8.380 nan 0.000 0.571 584 L N -0.309 120.974 121.223 0.100 0.000 2.269 584 L HA 0.213 4.554 4.340 0.002 0.000 0.200 584 L C 0.906 177.868 176.870 0.154 0.000 1.069 584 L CA 0.588 55.525 54.840 0.161 0.000 0.804 584 L CB 0.114 42.259 42.059 0.143 0.000 0.987 584 L HN 0.015 nan 8.230 nan 0.000 0.468 585 L N 2.391 123.667 121.223 0.089 0.000 2.287 585 L HA 0.299 4.641 4.340 0.002 0.000 0.280 585 L C -0.364 176.538 176.870 0.054 0.000 1.055 585 L CA -0.581 54.291 54.840 0.053 0.000 0.863 585 L CB 1.266 43.329 42.059 0.007 0.000 1.245 585 L HN -0.045 nan 8.230 nan 0.000 0.432 586 V N 0.339 120.303 119.914 0.083 0.000 2.834 586 V HA 0.413 4.534 4.120 0.002 0.000 0.313 586 V C 0.231 176.367 176.094 0.070 0.000 1.060 586 V CA -0.940 61.409 62.300 0.082 0.000 0.989 586 V CB 1.812 33.704 31.823 0.115 0.000 1.041 586 V HN 0.702 nan 8.190 nan 0.000 0.459 587 N N 1.670 120.404 118.700 0.057 0.000 2.431 587 N HA 0.045 4.786 4.740 0.002 0.000 0.265 587 N C 0.656 176.211 175.510 0.075 0.000 1.184 587 N CA -0.267 52.814 53.050 0.051 0.000 0.943 587 N CB 1.267 39.776 38.487 0.036 0.000 1.080 587 N HN 0.872 nan 8.380 nan 0.000 0.477 588 L N 5.740 127.017 121.223 0.091 0.000 2.012 588 L HA -0.158 4.183 4.340 0.002 0.000 0.210 588 L C 1.976 178.897 176.870 0.086 0.000 1.073 588 L CA 1.834 56.741 54.840 0.111 0.000 0.748 588 L CB -0.948 41.195 42.059 0.140 0.000 0.891 588 L HN 0.714 nan 8.230 nan 0.000 0.431 589 N N -0.891 117.852 118.700 0.071 0.000 2.025 589 N HA -0.256 4.485 4.740 0.002 0.000 0.194 589 N C 1.762 177.300 175.510 0.048 0.000 1.044 589 N CA 1.732 54.816 53.050 0.056 0.000 0.851 589 N CB -0.091 38.424 38.487 0.047 0.000 1.036 589 N HN 0.530 nan 8.380 nan 0.000 0.422 590 E N -0.390 119.837 120.200 0.046 0.000 2.110 590 E HA -0.055 4.296 4.350 0.002 0.000 0.193 590 E C 0.756 177.384 176.600 0.046 0.000 0.988 590 E CA 0.914 57.338 56.400 0.040 0.000 0.804 590 E CB 0.117 29.839 29.700 0.036 0.000 0.745 590 E HN 0.238 nan 8.360 nan 0.000 0.458 591 S N 0.364 116.099 115.700 0.059 0.000 2.561 591 S HA 0.092 4.563 4.470 0.002 0.000 0.245 591 S C 1.001 175.644 174.600 0.071 0.000 1.001 591 S CA -0.302 57.938 58.200 0.066 0.000 1.002 591 S CB 0.446 63.696 63.200 0.083 0.000 0.805 591 S HN 0.094 nan 8.310 nan 0.000 0.458 592 K N 2.866 123.303 120.400 0.062 0.000 2.034 592 K HA -0.187 4.134 4.320 0.002 0.000 0.214 592 K C 1.749 178.373 176.600 0.041 0.000 1.051 592 K CA 1.782 58.104 56.287 0.057 0.000 0.931 592 K CB -0.121 32.405 32.500 0.044 0.000 0.715 592 K HN 0.216 nan 8.250 nan 0.000 0.446 593 E N 0.305 120.522 120.200 0.029 0.000 2.118 593 E HA -0.188 4.163 4.350 0.002 0.000 0.195 593 E C 2.132 178.740 176.600 0.012 0.000 0.992 593 E CA 1.477 57.885 56.400 0.014 0.000 0.804 593 E CB -0.193 29.514 29.700 0.012 0.000 0.741 593 E HN 0.418 nan 8.360 nan 0.000 0.458 594 L N 0.448 121.688 121.223 0.030 0.000 2.156 594 L HA -0.110 4.231 4.340 0.002 0.000 0.208 594 L C 2.497 179.384 176.870 0.028 0.000 1.095 594 L CA 0.488 55.347 54.840 0.033 0.000 0.770 594 L CB -0.328 41.765 42.059 0.056 0.000 0.914 594 L HN -0.038 nan 8.230 nan 0.000 0.439 595 V N -0.542 119.404 119.914 0.053 0.000 2.407 595 V HA -0.212 3.909 4.120 0.002 0.000 0.245 595 V C 2.410 178.479 176.094 -0.042 0.000 1.041 595 V CA 1.366 63.701 62.300 0.058 0.000 1.040 595 V CB -0.423 31.506 31.823 0.175 0.000 0.671 595 V HN 0.455 nan 8.190 nan 0.000 0.455 596 Q N -0.174 119.611 119.800 -0.026 0.000 2.084 596 Q HA -0.231 4.110 4.340 0.002 0.000 0.202 596 Q C 2.044 177.988 176.000 -0.094 0.000 0.978 596 Q CA 1.800 57.567 55.803 -0.060 0.000 0.844 596 Q CB -0.272 28.444 28.738 -0.037 0.000 0.898 596 Q HN 0.622 nan 8.270 nan 0.000 0.426 597 D N 0.682 121.037 120.400 -0.075 0.000 2.117 597 D HA -0.153 4.488 4.640 0.002 0.000 0.197 597 D C 1.928 178.151 176.300 -0.129 0.000 0.987 597 D CA 0.775 54.724 54.000 -0.085 0.000 0.829 597 D CB -0.129 40.639 40.800 -0.054 0.000 0.961 597 D HN 0.112 nan 8.370 nan 0.000 0.460 598 L N 0.880 122.006 121.223 -0.160 0.000 2.017 598 L HA -0.119 4.222 4.340 0.002 0.000 0.208 598 L C 2.301 178.960 176.870 -0.351 0.000 1.073 598 L CA 1.345 56.030 54.840 -0.258 0.000 0.745 598 L CB -0.574 41.282 42.059 -0.339 0.000 0.894 598 L HN -0.017 nan 8.230 nan 0.000 0.432 599 L N -0.772 120.230 121.223 -0.369 0.000 2.187 599 L HA -0.239 4.103 4.340 0.002 0.000 0.213 599 L C 2.413 179.113 176.870 -0.283 0.000 1.100 599 L CA 1.343 55.961 54.840 -0.371 0.000 0.765 599 L CB -0.508 41.369 42.059 -0.302 0.000 0.904 599 L HN 0.282 nan 8.230 nan 0.000 0.437 600 K N -1.043 119.227 120.400 -0.218 0.000 2.296 600 K HA -0.024 4.297 4.320 0.002 0.000 0.200 600 K C 1.862 178.355 176.600 -0.179 0.000 1.048 600 K CA 1.256 57.436 56.287 -0.179 0.000 0.966 600 K CB 0.081 32.500 32.500 -0.135 0.000 0.754 600 K HN 0.295 nan 8.250 nan 0.000 0.466 601 T N 1.096 115.536 114.554 -0.190 0.000 3.010 601 T HA 0.094 4.445 4.350 0.002 0.000 0.252 601 T C 1.804 176.387 174.700 -0.195 0.000 1.047 601 T CA 0.136 62.133 62.100 -0.173 0.000 1.140 601 T CB -0.009 68.773 68.868 -0.143 0.000 0.885 601 T HN 0.022 nan 8.240 nan 0.000 0.464 602 L N 1.134 122.217 121.223 -0.233 0.000 1.997 602 L HA -0.111 4.230 4.340 0.002 0.000 0.216 602 L C -0.701 176.078 176.870 -0.152 0.000 1.074 602 L CA 1.714 56.437 54.840 -0.195 0.000 0.763 602 L CB -1.544 40.339 42.059 -0.293 0.000 0.890 602 L HN 0.188 nan 8.230 nan 0.000 0.434 603 P HA -0.154 nan 4.420 nan 0.000 0.234 603 P C 0.734 177.930 177.300 -0.175 0.000 1.162 603 P CA 1.153 64.108 63.100 -0.241 0.000 0.759 603 P CB 0.031 31.556 31.700 -0.293 0.000 0.813 604 Q N -2.536 117.164 119.800 -0.166 0.000 2.245 604 Q HA 0.267 4.608 4.340 0.002 0.000 0.236 604 Q C 1.621 177.499 176.000 -0.203 0.000 0.842 604 Q CA 0.060 55.767 55.803 -0.160 0.000 0.945 604 Q CB -0.037 28.610 28.738 -0.151 0.000 1.122 604 Q HN 0.265 nan 8.270 nan 0.000 0.506 605 M N -0.258 119.152 119.600 -0.315 0.000 2.492 605 M HA 0.059 4.540 4.480 0.002 0.000 0.262 605 M C 0.108 175.920 176.300 -0.812 0.000 1.090 605 M CA 1.304 56.234 55.300 -0.616 0.000 1.110 605 M CB 0.334 32.397 32.600 -0.895 0.000 1.407 605 M HN 0.116 nan 8.290 nan 0.000 0.470 606 F N -1.652 118.254 119.950 -0.073 0.000 2.764 606 F HA 0.246 4.774 4.527 0.002 0.000 0.310 606 F C 1.665 177.430 175.800 -0.059 0.000 1.124 606 F CA -0.255 57.712 58.000 -0.054 0.000 1.252 606 F CB -0.712 38.264 39.000 -0.039 0.000 1.010 606 F HN -0.094 nan 8.300 nan 0.000 0.518 607 T N 0.424 114.991 114.554 0.023 0.000 2.665 607 T HA -0.230 4.121 4.350 0.002 0.000 0.268 607 T C 1.551 176.262 174.700 0.019 0.000 1.035 607 T CA 1.601 63.701 62.100 0.000 0.000 1.151 607 T CB -0.248 68.593 68.868 -0.045 0.000 0.862 607 T HN 0.369 nan 8.240 nan 0.000 0.438 608 K N 1.728 122.129 120.400 0.002 0.000 2.577 608 K HA 0.270 4.591 4.320 0.002 0.000 0.210 608 K C -0.082 176.513 176.600 -0.009 0.000 1.048 608 K CA -0.159 56.122 56.287 -0.010 0.000 1.188 608 K CB 0.038 32.522 32.500 -0.026 0.000 0.910 608 K HN 0.056 nan 8.250 nan 0.000 0.483 609 T N 1.338 115.913 114.554 0.036 0.000 2.898 609 T HA 0.123 4.474 4.350 0.002 0.000 0.301 609 T C 0.751 175.418 174.700 -0.055 0.000 1.049 609 T CA -0.181 61.948 62.100 0.048 0.000 1.095 609 T CB 1.164 70.120 68.868 0.147 0.000 0.976 609 T HN 0.274 nan 8.240 nan 0.000 0.539 610 L N 0.822 122.018 121.223 -0.046 0.000 2.858 610 L HA 0.198 4.539 4.340 0.002 0.000 0.251 610 L C 0.430 177.292 176.870 -0.012 0.000 1.149 610 L CA -0.029 54.744 54.840 -0.112 0.000 0.955 610 L CB 0.419 42.430 42.059 -0.080 0.000 1.289 610 L HN 0.561 nan 8.230 nan 0.000 0.542 611 E N 0.775 121.005 120.200 0.050 0.000 2.328 611 E HA -0.015 4.336 4.350 0.002 0.000 0.265 611 E C 1.081 177.747 176.600 0.110 0.000 1.057 611 E CA 0.415 56.863 56.400 0.080 0.000 0.916 611 E CB 1.128 30.882 29.700 0.089 0.000 0.993 611 E HN 0.229 nan 8.360 nan 0.000 0.446 612 T N -0.373 114.243 114.554 0.102 0.000 3.014 612 T HA 0.034 4.386 4.350 0.002 0.000 0.250 612 T C 0.717 175.468 174.700 0.084 0.000 1.060 612 T CA -0.012 62.158 62.100 0.117 0.000 1.040 612 T CB 0.451 69.391 68.868 0.119 0.000 0.971 612 T HN 0.233 nan 8.240 nan 0.000 0.497 613 Q N 1.433 121.278 119.800 0.075 0.000 2.230 613 Q HA 0.591 4.932 4.340 0.002 0.000 0.248 613 Q C -0.981 175.063 176.000 0.074 0.000 0.915 613 Q CA -0.442 55.403 55.803 0.070 0.000 0.900 613 Q CB 1.752 30.530 28.738 0.066 0.000 1.229 613 Q HN 0.246 nan 8.270 nan 0.000 0.439 614 S N 0.628 116.379 115.700 0.087 0.000 2.640 614 S HA 0.518 4.989 4.470 0.002 0.000 0.320 614 S C -0.793 173.917 174.600 0.183 0.000 1.097 614 S CA -0.535 57.745 58.200 0.133 0.000 1.092 614 S CB 0.777 64.048 63.200 0.119 0.000 0.988 614 S HN 0.644 nan 8.310 nan 0.000 0.470 615 A N 5.631 128.585 122.820 0.223 0.000 3.126 615 A HA 0.330 4.651 4.320 0.002 0.000 0.268 615 A C 1.085 178.736 177.584 0.111 0.000 1.605 615 A CA -0.419 51.700 52.037 0.137 0.000 1.305 615 A CB -0.553 18.498 19.000 0.086 0.000 1.160 615 A HN 0.881 nan 8.150 nan 0.000 0.609 616 L N 1.900 123.219 121.223 0.160 0.000 2.017 616 L HA -0.028 4.313 4.340 0.002 0.000 0.208 616 L C 2.289 179.154 176.870 -0.007 0.000 1.073 616 L CA 2.721 57.588 54.840 0.045 0.000 0.745 616 L CB -0.875 41.314 42.059 0.217 0.000 0.894 616 L HN 0.501 nan 8.230 nan 0.000 0.432 617 G N -0.451 108.378 108.800 0.049 0.000 2.476 617 G HA2 -0.235 3.726 3.960 0.002 0.000 0.218 617 G HA3 -0.235 3.726 3.960 0.002 0.000 0.218 617 G C -0.653 174.282 174.900 0.060 0.000 1.164 617 G CA 1.008 46.117 45.100 0.015 0.000 0.768 617 G HN 0.389 nan 8.290 nan 0.000 0.560 618 P HA 0.046 nan 4.420 nan 0.000 0.217 618 P C 2.196 179.450 177.300 -0.077 0.000 1.151 618 P CA 1.782 64.872 63.100 -0.018 0.000 0.828 618 P CB -0.106 31.580 31.700 -0.023 0.000 0.788 619 A N -0.432 122.251 122.820 -0.228 0.000 1.933 619 A HA -0.158 4.163 4.320 0.002 0.000 0.218 619 A C 2.166 179.588 177.584 -0.270 0.000 1.175 619 A CA 1.382 53.176 52.037 -0.405 0.000 0.628 619 A CB -1.662 16.713 19.000 -1.043 0.000 0.814 619 A HN 0.108 nan 8.150 nan 0.000 0.444 620 L N -0.933 120.189 121.223 -0.169 0.000 2.141 620 L HA -0.227 4.114 4.340 0.002 0.000 0.209 620 L C 2.844 179.742 176.870 0.045 0.000 1.094 620 L CA 1.363 56.182 54.840 -0.035 0.000 0.763 620 L CB -0.608 41.489 42.059 0.064 0.000 0.908 620 L HN 0.518 nan 8.230 nan 0.000 0.437 621 Q N -0.227 119.611 119.800 0.064 0.000 2.079 621 Q HA -0.155 4.187 4.340 0.002 0.000 0.200 621 Q C 2.452 178.559 176.000 0.179 0.000 0.974 621 Q CA 1.514 57.390 55.803 0.122 0.000 0.840 621 Q CB -0.189 28.619 28.738 0.115 0.000 0.898 621 Q HN 0.544 nan 8.270 nan 0.000 0.430 622 A N 1.177 124.056 122.820 0.100 0.000 1.898 622 A HA -0.069 4.252 4.320 0.002 0.000 0.216 622 A C 2.317 179.985 177.584 0.139 0.000 1.181 622 A CA 1.443 53.566 52.037 0.143 0.000 0.620 622 A CB -0.733 18.319 19.000 0.086 0.000 0.819 622 A HN 0.379 nan 8.150 nan 0.000 0.442 623 A N -0.946 121.902 122.820 0.046 0.000 1.908 623 A HA -0.075 4.246 4.320 0.002 0.000 0.218 623 A C 2.040 179.677 177.584 0.088 0.000 1.181 623 A CA 1.693 53.755 52.037 0.042 0.000 0.627 623 A CB -0.744 18.251 19.000 -0.008 0.000 0.818 623 A HN 0.739 nan 8.150 nan 0.000 0.445 624 F N 0.738 120.687 119.950 -0.002 0.000 2.075 624 F HA -0.151 4.377 4.527 0.002 0.000 0.297 624 F C 2.113 177.923 175.800 0.016 0.000 1.113 624 F CA 2.211 60.209 58.000 -0.004 0.000 1.218 624 F CB -0.331 38.655 39.000 -0.024 0.000 0.984 624 F HN 0.122 nan 8.300 nan 0.000 0.472 625 K N -0.069 120.288 120.400 -0.072 0.000 2.063 625 K HA -0.212 4.109 4.320 0.002 0.000 0.208 625 K C 1.988 178.499 176.600 -0.148 0.000 1.048 625 K CA 1.683 57.880 56.287 -0.150 0.000 0.928 625 K CB -0.640 31.898 32.500 0.064 0.000 0.713 625 K HN 0.290 nan 8.250 nan 0.000 0.442 626 L N 0.741 121.948 121.223 -0.026 0.000 2.083 626 L HA -0.119 4.222 4.340 0.002 0.000 0.209 626 L C 1.908 178.729 176.870 -0.081 0.000 1.083 626 L CA 1.749 56.591 54.840 0.003 0.000 0.752 626 L CB -0.114 42.026 42.059 0.135 0.000 0.899 626 L HN 0.194 nan 8.230 nan 0.000 0.433 627 M N -2.342 117.173 119.600 -0.141 0.000 2.509 627 M HA -0.023 4.459 4.480 0.002 0.000 0.250 627 M C 2.241 178.396 176.300 -0.242 0.000 1.132 627 M CA 0.576 55.781 55.300 -0.159 0.000 1.080 627 M CB 0.080 32.615 32.600 -0.108 0.000 1.408 627 M HN 0.260 nan 8.290 nan 0.000 0.484 628 S N 1.553 116.996 115.700 -0.429 0.000 2.389 628 S HA -0.129 4.342 4.470 0.002 0.000 0.231 628 S C -0.763 173.695 174.600 -0.236 0.000 1.052 628 S CA 1.701 59.608 58.200 -0.489 0.000 1.053 628 S CB -0.872 61.922 63.200 -0.676 0.000 0.886 628 S HN 0.245 nan 8.310 nan 0.000 0.456 629 P HA -0.026 nan 4.420 nan 0.000 0.217 629 P C 1.532 178.774 177.300 -0.096 0.000 1.150 629 P CA 1.868 64.901 63.100 -0.112 0.000 0.832 629 P CB -0.157 31.487 31.700 -0.093 0.000 0.787 630 T N -6.211 108.277 114.554 -0.110 0.000 3.026 630 T HA 0.495 4.846 4.350 0.002 0.000 0.245 630 T C 1.003 175.640 174.700 -0.105 0.000 1.004 630 T CA 0.427 62.462 62.100 -0.109 0.000 1.069 630 T CB -0.318 68.470 68.868 -0.134 0.000 1.005 630 T HN 0.288 nan 8.240 nan 0.000 0.472 631 G N -0.153 108.588 108.800 -0.099 0.000 2.631 631 G HA2 0.423 4.384 3.960 0.002 0.000 0.504 631 G HA3 0.423 4.384 3.960 0.002 0.000 0.504 631 G C 0.037 174.893 174.900 -0.073 0.000 1.306 631 G CA -0.432 44.638 45.100 -0.050 0.000 0.897 631 G HN 1.877 nan 8.290 nan 0.000 0.520 632 G N -1.195 107.618 108.800 0.021 0.000 2.302 632 G HA2 0.551 4.512 3.960 0.002 0.000 0.276 632 G HA3 0.551 4.512 3.960 0.002 0.000 0.276 632 G C -0.608 174.384 174.900 0.154 0.000 1.316 632 G CA 0.411 45.536 45.100 0.041 0.000 0.988 632 G HN 1.453 nan 8.290 nan 0.000 0.479 633 R N 0.108 120.693 120.500 0.142 0.000 2.310 633 R HA 0.662 5.003 4.340 0.002 0.000 0.324 633 R C -0.187 176.150 176.300 0.061 0.000 0.955 633 R CA -0.716 55.478 56.100 0.157 0.000 0.830 633 R CB 0.927 31.378 30.300 0.253 0.000 1.154 633 R HN 0.673 nan 8.270 nan 0.000 0.458 634 M N 3.596 123.238 119.600 0.069 0.000 2.157 634 M HA 0.277 4.758 4.480 0.002 0.000 0.354 634 M C -1.144 175.212 176.300 0.094 0.000 1.170 634 M CA -0.109 55.204 55.300 0.022 0.000 1.060 634 M CB 1.525 34.153 32.600 0.045 0.000 1.615 634 M HN 0.502 nan 8.290 nan 0.000 0.460 635 S N 4.464 120.199 115.700 0.057 0.000 2.520 635 S HA 0.475 4.947 4.470 0.002 0.000 0.324 635 S C -0.637 174.130 174.600 0.278 0.000 1.069 635 S CA -0.773 57.587 58.200 0.266 0.000 1.121 635 S CB 0.861 64.325 63.200 0.440 0.000 0.971 635 S HN 0.576 nan 8.310 nan 0.000 0.463 636 V N 4.243 124.267 119.914 0.185 0.000 2.427 636 V HA 0.500 4.621 4.120 0.002 0.000 0.286 636 V C -0.769 175.370 176.094 0.074 0.000 1.034 636 V CA -0.561 61.865 62.300 0.211 0.000 0.893 636 V CB 0.684 32.591 31.823 0.140 0.000 0.982 636 V HN 0.768 nan 8.190 nan 0.000 0.452 637 F N 3.505 123.632 119.950 0.295 0.000 2.403 637 F HA 0.640 5.168 4.527 0.002 0.000 0.355 637 F C 0.120 175.969 175.800 0.082 0.000 1.119 637 F CA -0.432 57.670 58.000 0.171 0.000 1.007 637 F CB 1.800 40.921 39.000 0.201 0.000 1.194 637 F HN 0.408 nan 8.300 nan 0.000 0.443 638 Q N 1.197 121.049 119.800 0.086 0.000 2.375 638 Q HA 0.451 4.792 4.340 0.002 0.000 0.271 638 Q C 0.170 176.141 176.000 -0.048 0.000 1.074 638 Q CA -0.490 55.351 55.803 0.063 0.000 0.808 638 Q CB 2.062 30.864 28.738 0.107 0.000 1.327 638 Q HN 0.657 nan 8.270 nan 0.000 0.441 639 T N -0.197 114.329 114.554 -0.048 0.000 3.043 639 T HA 0.294 4.646 4.350 0.002 0.000 0.272 639 T C -0.038 174.661 174.700 -0.002 0.000 0.990 639 T CA 0.299 62.371 62.100 -0.046 0.000 0.897 639 T CB 0.066 68.902 68.868 -0.052 0.000 1.111 639 T HN 0.656 nan 8.240 nan 0.000 0.529 640 Q N -0.047 119.755 119.800 0.003 0.000 2.685 640 Q HA 0.529 4.870 4.340 0.002 0.000 0.301 640 Q C -1.525 174.470 176.000 -0.009 0.000 0.924 640 Q CA -1.216 54.590 55.803 0.006 0.000 0.755 640 Q CB 0.846 29.596 28.738 0.020 0.000 1.470 640 Q HN 0.187 nan 8.270 nan 0.000 0.434 641 L N 1.969 123.181 121.223 -0.018 0.000 2.499 641 L HA 0.295 4.636 4.340 0.002 0.000 0.273 641 L C -2.160 174.721 176.870 0.019 0.000 1.195 641 L CA -1.544 53.274 54.840 -0.037 0.000 0.882 641 L CB 0.782 42.834 42.059 -0.010 0.000 1.133 641 L HN 0.549 nan 8.230 nan 0.000 0.483 642 P HA 0.155 nan 4.420 nan 0.000 0.281 642 P C -0.150 177.186 177.300 0.059 0.000 1.252 642 P CA -0.207 62.939 63.100 0.076 0.000 0.778 642 P CB 1.029 32.798 31.700 0.116 0.000 0.895 643 T N -0.328 114.260 114.554 0.057 0.000 3.087 643 T HA 0.290 4.641 4.350 0.002 0.000 0.283 643 T C -0.012 174.704 174.700 0.028 0.000 0.956 643 T CA -0.048 62.077 62.100 0.042 0.000 0.894 643 T CB -0.108 68.790 68.868 0.049 0.000 1.160 643 T HN 0.127 nan 8.240 nan 0.000 0.532 644 L N 1.997 123.238 121.223 0.029 0.000 2.341 644 L HA 0.785 5.127 4.340 0.002 0.000 0.278 644 L C 0.501 177.361 176.870 -0.017 0.000 1.005 644 L CA 1.012 55.862 54.840 0.017 0.000 0.818 644 L CB 1.020 43.105 42.059 0.043 0.000 1.259 644 L HN 0.616 nan 8.230 nan 0.000 0.418 645 G N 2.671 111.448 108.800 -0.038 0.000 2.681 645 G HA2 -0.051 3.910 3.960 0.002 0.000 0.220 645 G HA3 -0.051 3.910 3.960 0.002 0.000 0.220 645 G C -0.434 174.362 174.900 -0.174 0.000 1.353 645 G CA -0.504 44.550 45.100 -0.078 0.000 0.872 645 G HN 1.500 nan 8.290 nan 0.000 0.557 646 V N -1.284 118.479 119.914 -0.251 0.000 2.843 646 V HA 0.558 4.679 4.120 0.002 0.000 0.305 646 V C 1.925 177.462 176.094 -0.928 0.000 1.065 646 V CA 1.033 63.044 62.300 -0.482 0.000 1.116 646 V CB 0.557 32.137 31.823 -0.405 0.000 0.968 646 V HN 3.019 nan 8.190 nan 0.000 0.487 647 G N 1.587 109.665 108.800 -1.202 0.000 2.159 647 G HA2 -0.017 3.945 3.960 0.002 0.000 0.256 647 G HA3 -0.017 3.945 3.960 0.002 0.000 0.256 647 G C 0.420 175.146 174.900 -0.290 0.000 0.977 647 G CA 0.223 44.575 45.100 -1.247 0.000 0.652 647 G HN 2.119 nan 8.290 nan 0.000 0.531 648 A N -0.138 122.554 122.820 -0.213 0.000 2.425 648 A HA 0.712 5.034 4.320 0.002 0.000 0.249 648 A C 0.402 177.996 177.584 0.016 0.000 1.084 648 A CA 0.272 52.281 52.037 -0.048 0.000 0.781 648 A CB 0.389 19.359 19.000 -0.049 0.000 1.019 648 A HN 0.929 nan 8.150 nan 0.000 0.490 649 L N 2.348 123.605 121.223 0.058 0.000 2.362 649 L HA 0.419 4.761 4.340 0.002 0.000 0.271 649 L C -0.020 176.902 176.870 0.086 0.000 1.002 649 L CA -1.168 53.720 54.840 0.080 0.000 0.818 649 L CB 1.767 43.872 42.059 0.076 0.000 1.298 649 L HN 0.566 nan 8.230 nan 0.000 0.420 650 K N 1.980 122.443 120.400 0.104 0.000 2.237 650 K HA 0.391 4.713 4.320 0.002 0.000 0.270 650 K C -2.302 174.408 176.600 0.182 0.000 1.015 650 K CA -1.707 54.646 56.287 0.110 0.000 0.949 650 K CB 0.631 33.180 32.500 0.082 0.000 0.976 650 K HN 0.213 nan 8.250 nan 0.000 0.472 651 P HA 0.243 nan 4.420 nan 0.000 0.272 651 P C -0.651 176.685 177.300 0.059 0.000 1.240 651 P CA -0.233 62.978 63.100 0.185 0.000 0.791 651 P CB 0.600 32.365 31.700 0.107 0.000 0.978 652 R N 0.224 120.624 120.500 -0.166 0.000 2.668 652 R HA 0.273 4.614 4.340 0.002 0.000 0.272 652 R C -0.934 175.124 176.300 -0.403 0.000 1.019 652 R CA -0.678 55.168 56.100 -0.424 0.000 0.894 652 R CB 1.631 31.411 30.300 -0.867 0.000 1.228 652 R HN 0.420 nan 8.270 nan 0.000 0.460 653 E N 2.356 122.407 120.200 -0.248 0.000 2.194 653 E HA 0.051 4.402 4.350 0.002 0.000 0.284 653 E C -0.645 175.853 176.600 -0.170 0.000 1.035 653 E CA -0.431 55.873 56.400 -0.160 0.000 0.836 653 E CB 0.838 30.484 29.700 -0.090 0.000 1.070 653 E HN 0.332 nan 8.360 nan 0.000 0.401 654 E N 4.368 124.493 120.200 -0.126 0.000 2.413 654 E HA 0.090 4.441 4.350 0.002 0.000 0.263 654 E C -1.975 174.599 176.600 -0.044 0.000 1.015 654 E CA -1.261 55.093 56.400 -0.077 0.000 0.916 654 E CB 0.328 30.019 29.700 -0.014 0.000 0.947 654 E HN 0.458 nan 8.360 nan 0.000 0.440 655 P HA 0.118 nan 4.420 nan 0.000 0.293 655 P C -0.742 176.566 177.300 0.013 0.000 1.298 655 P CA -0.280 62.810 63.100 -0.016 0.000 0.757 655 P CB 0.553 32.245 31.700 -0.013 0.000 1.262 656 N N -2.730 115.980 118.700 0.017 0.000 2.732 656 N HA 0.131 4.873 4.740 0.002 0.000 0.259 656 N C 0.751 176.295 175.510 0.057 0.000 1.402 656 N CA -0.741 52.355 53.050 0.077 0.000 0.829 656 N CB -0.083 38.455 38.487 0.086 0.000 1.495 656 N HN 0.443 nan 8.380 nan 0.000 0.511 657 H N -0.634 118.436 119.070 0.000 0.000 2.496 657 H HA -0.093 4.463 4.556 0.001 0.000 0.296 657 H C 1.303 176.631 175.328 -0.000 0.000 1.107 657 H CA 1.577 57.626 56.048 0.000 0.000 1.263 657 H CB -0.002 29.761 29.762 0.001 0.000 1.369 657 H HN 0.673 nan 8.280 nan 0.000 0.541 658 R N 1.760 121.912 120.500 -0.581 0.000 2.055 658 R HA -0.050 4.291 4.340 0.002 0.000 0.228 658 R C 0.905 177.101 176.300 -0.172 0.000 1.143 658 R CA 1.030 56.881 56.100 -0.415 0.000 0.945 658 R CB -0.141 29.917 30.300 -0.402 0.000 0.841 658 R HN 0.407 nan 8.270 nan 0.000 0.429 659 S N 0.943 116.570 115.700 -0.122 0.000 2.642 659 S HA -0.068 4.403 4.470 0.002 0.000 0.308 659 S C 0.451 175.025 174.600 -0.044 0.000 1.255 659 S CA -0.118 58.043 58.200 -0.066 0.000 1.057 659 S CB 0.529 63.702 63.200 -0.046 0.000 0.785 659 S HN 0.454 nan 8.310 nan 0.000 0.500 660 S N 2.585 118.266 115.700 -0.032 0.000 2.546 660 S HA 0.596 5.067 4.470 0.002 0.000 0.265 660 S C 0.464 175.060 174.600 -0.006 0.000 1.190 660 S CA -0.523 57.666 58.200 -0.017 0.000 1.014 660 S CB 0.022 63.214 63.200 -0.014 0.000 1.087 660 S HN 1.621 nan 8.310 nan 0.000 0.525 661 A N 0.837 123.658 122.820 0.002 0.000 3.004 661 A HA 0.494 4.816 4.320 0.002 0.000 0.286 661 A C 0.219 177.808 177.584 0.009 0.000 1.632 661 A CA -0.597 51.446 52.037 0.011 0.000 1.339 661 A CB -0.898 18.113 19.000 0.019 0.000 1.136 661 A HN 0.642 nan 8.150 nan 0.000 0.577 667 T N 1.391 115.969 114.554 0.041 0.000 2.816 667 T HA 0.603 4.954 4.350 0.002 0.000 0.282 667 T C -2.583 172.152 174.700 0.058 0.000 0.993 667 T CA -1.126 61.003 62.100 0.049 0.000 0.994 667 T CB 0.686 69.584 68.868 0.051 0.000 1.025 667 T HN -0.067 nan 8.240 nan 0.000 0.529 668 P HA 0.332 nan 4.420 nan 0.000 0.275 668 P C 0.265 177.617 177.300 0.086 0.000 1.228 668 P CA -0.469 62.680 63.100 0.082 0.000 0.786 668 P CB 0.638 32.398 31.700 0.099 0.000 0.927 669 S N -0.680 115.081 115.700 0.101 0.000 2.496 669 S HA 0.065 4.537 4.470 0.002 0.000 0.224 669 S C 0.819 175.477 174.600 0.097 0.000 0.996 669 S CA 0.716 58.974 58.200 0.096 0.000 0.927 669 S CB -0.116 63.150 63.200 0.110 0.000 0.774 669 S HN 0.690 nan 8.310 nan 0.000 0.524 670 T N 0.825 115.453 114.554 0.124 0.000 2.802 670 T HA 0.237 4.588 4.350 0.002 0.000 0.311 670 T C -1.436 173.345 174.700 0.135 0.000 1.405 670 T CA -0.624 61.549 62.100 0.122 0.000 1.016 670 T CB 1.459 70.409 68.868 0.137 0.000 1.352 670 T HN 0.050 nan 8.240 nan 0.000 0.498 671 D N 1.349 121.804 120.400 0.092 0.000 2.369 671 D HA 0.049 4.690 4.640 0.002 0.000 0.211 671 D C 1.497 177.801 176.300 0.006 0.000 1.077 671 D CA -0.185 53.840 54.000 0.042 0.000 0.842 671 D CB -0.221 40.571 40.800 -0.013 0.000 0.947 671 D HN 0.424 nan 8.370 nan 0.000 0.509 672 F N 1.745 121.625 119.950 -0.117 0.000 2.063 672 F HA -0.292 4.237 4.527 0.002 0.000 0.298 672 F C 1.549 177.150 175.800 -0.331 0.000 1.109 672 F CA 1.655 59.488 58.000 -0.278 0.000 1.212 672 F CB -0.400 38.331 39.000 -0.448 0.000 0.973 672 F HN -0.162 nan 8.300 nan 0.000 0.480 673 Y N 0.408 120.673 120.300 -0.059 0.000 2.352 673 Y HA -0.120 4.431 4.550 0.002 0.000 0.292 673 Y C 2.525 178.316 175.900 -0.182 0.000 1.136 673 Y CA 1.589 59.596 58.100 -0.155 0.000 1.227 673 Y CB -0.754 37.742 38.460 0.060 0.000 0.991 673 Y HN 0.134 nan 8.280 nan 0.000 0.545 674 K N 1.037 121.423 120.400 -0.025 0.000 2.031 674 K HA -0.167 4.154 4.320 0.002 0.000 0.205 674 K C 1.839 178.262 176.600 -0.295 0.000 1.049 674 K CA 1.396 57.603 56.287 -0.135 0.000 0.939 674 K CB -0.082 32.298 32.500 -0.200 0.000 0.717 674 K HN 0.182 nan 8.250 nan 0.000 0.438 675 K N 0.593 120.798 120.400 -0.324 0.000 2.063 675 K HA -0.165 4.156 4.320 0.002 0.000 0.208 675 K C 2.138 178.472 176.600 -0.443 0.000 1.048 675 K CA 1.249 57.316 56.287 -0.367 0.000 0.928 675 K CB -0.209 32.092 32.500 -0.331 0.000 0.713 675 K HN 0.108 nan 8.250 nan 0.000 0.442 676 L N 1.063 121.950 121.223 -0.559 0.000 2.056 676 L HA -0.095 4.246 4.340 0.002 0.000 0.207 676 L C 2.182 178.811 176.870 -0.401 0.000 1.078 676 L CA 1.758 56.241 54.840 -0.595 0.000 0.749 676 L CB -0.727 40.886 42.059 -0.744 0.000 0.901 676 L HN 0.119 nan 8.230 nan 0.000 0.433 677 A N -0.611 122.060 122.820 -0.248 0.000 1.933 677 A HA -0.154 4.167 4.320 0.002 0.000 0.218 677 A C 2.235 179.716 177.584 -0.171 0.000 1.175 677 A CA 1.867 53.835 52.037 -0.114 0.000 0.628 677 A CB -0.817 18.209 19.000 0.045 0.000 0.814 677 A HN 0.514 nan 8.150 nan 0.000 0.444 678 L N -0.884 120.160 121.223 -0.299 0.000 2.093 678 L HA -0.178 4.164 4.340 0.002 0.000 0.208 678 L C 2.045 178.717 176.870 -0.330 0.000 1.085 678 L CA 1.574 56.163 54.840 -0.417 0.000 0.755 678 L CB -0.778 40.956 42.059 -0.541 0.000 0.904 678 L HN 0.310 nan 8.230 nan 0.000 0.435 679 D N -0.364 119.819 120.400 -0.360 0.000 2.097 679 D HA -0.158 4.483 4.640 0.002 0.000 0.197 679 D C 2.286 178.486 176.300 -0.167 0.000 0.984 679 D CA 1.284 55.058 54.000 -0.377 0.000 0.826 679 D CB -0.197 40.152 40.800 -0.751 0.000 0.973 679 D HN 0.271 nan 8.370 nan 0.000 0.460 680 C N -0.132 119.067 119.300 -0.169 0.000 2.413 680 C HA -0.152 4.309 4.460 0.002 0.000 0.276 680 C C 2.932 178.010 174.990 0.147 0.000 1.236 680 C CA 1.118 60.249 59.018 0.188 0.000 1.735 680 C CB -1.050 26.758 27.740 0.113 0.000 2.031 680 C HN 0.358 nan 8.230 nan 0.000 0.474 681 S N 0.648 116.372 115.700 0.040 0.000 2.374 681 S HA -0.117 4.354 4.470 0.002 0.000 0.227 681 S C 1.937 176.583 174.600 0.077 0.000 1.037 681 S CA 1.981 60.217 58.200 0.060 0.000 1.024 681 S CB -0.586 62.621 63.200 0.012 0.000 0.861 681 S HN 0.681 nan 8.310 nan 0.000 0.456 682 G N -0.119 108.707 108.800 0.043 0.000 2.509 682 G HA2 -0.067 3.894 3.960 0.002 0.000 0.218 682 G HA3 -0.067 3.894 3.960 0.002 0.000 0.218 682 G C 1.258 176.214 174.900 0.093 0.000 1.124 682 G CA 0.333 45.472 45.100 0.065 0.000 0.776 682 G HN 0.507 nan 8.290 nan 0.000 0.547 683 Q N -0.207 119.672 119.800 0.133 0.000 2.198 683 Q HA 0.111 4.452 4.340 0.002 0.000 0.209 683 Q C 0.358 176.402 176.000 0.074 0.000 0.848 683 Q CA -0.029 55.833 55.803 0.099 0.000 0.974 683 Q CB 0.614 29.416 28.738 0.106 0.000 1.115 683 Q HN 0.410 nan 8.270 nan 0.000 0.494 684 Q N -0.908 118.949 119.800 0.095 0.000 2.487 684 Q HA -0.125 4.216 4.340 0.002 0.000 0.279 684 Q C -0.706 175.361 176.000 0.111 0.000 1.228 684 Q CA 0.410 56.273 55.803 0.100 0.000 0.873 684 Q CB -2.715 26.074 28.738 0.084 0.000 1.260 684 Q HN 0.127 nan 8.270 nan 0.000 0.471 685 V N 0.104 120.092 119.914 0.123 0.000 2.384 685 V HA 0.790 4.911 4.120 0.002 0.000 0.287 685 V C 0.446 176.618 176.094 0.130 0.000 1.020 685 V CA -0.232 62.144 62.300 0.126 0.000 0.850 685 V CB 1.818 33.733 31.823 0.154 0.000 0.987 685 V HN 0.386 nan 8.190 nan 0.000 0.436 686 A N 4.854 127.751 122.820 0.129 0.000 2.312 686 A HA 0.853 5.175 4.320 0.002 0.000 0.326 686 A C -0.658 176.999 177.584 0.122 0.000 1.172 686 A CA -0.530 51.581 52.037 0.122 0.000 0.821 686 A CB 1.426 20.501 19.000 0.124 0.000 1.166 686 A HN 0.682 nan 8.150 nan 0.000 0.493 687 V N 3.375 123.353 119.914 0.106 0.000 2.350 687 V HA 0.289 4.410 4.120 0.002 0.000 0.285 687 V C -0.954 175.198 176.094 0.096 0.000 1.014 687 V CA -0.790 61.571 62.300 0.101 0.000 0.831 687 V CB 1.406 33.275 31.823 0.076 0.000 1.000 687 V HN 0.868 nan 8.190 nan 0.000 0.433 688 D N 4.116 124.603 120.400 0.145 0.000 2.198 688 D HA 0.457 5.098 4.640 0.002 0.000 0.245 688 D C -0.533 175.763 176.300 -0.008 0.000 1.079 688 D CA -0.273 53.795 54.000 0.113 0.000 0.854 688 D CB 2.745 43.727 40.800 0.303 0.000 1.148 688 D HN 0.351 nan 8.370 nan 0.000 0.456 689 L N 3.031 124.173 121.223 -0.135 0.000 2.305 689 L HA 0.434 4.775 4.340 0.002 0.000 0.284 689 L C -1.500 175.177 176.870 -0.321 0.000 1.013 689 L CA -0.450 54.295 54.840 -0.157 0.000 0.819 689 L CB 0.621 42.610 42.059 -0.116 0.000 1.227 689 L HN 0.146 nan 8.230 nan 0.000 0.417 690 F N 6.351 126.150 119.950 -0.251 0.000 2.308 690 F HA 0.432 4.960 4.527 0.002 0.000 0.370 690 F C -0.351 175.375 175.800 -0.124 0.000 1.100 690 F CA -0.523 57.348 58.000 -0.215 0.000 1.108 690 F CB 1.374 39.928 39.000 -0.743 0.000 1.293 690 F HN 0.306 nan 8.300 nan 0.000 0.478 691 L N 5.561 126.841 121.223 0.094 0.000 2.265 691 L HA 0.493 4.834 4.340 0.002 0.000 0.289 691 L C -0.757 176.207 176.870 0.157 0.000 1.033 691 L CA -0.303 54.593 54.840 0.092 0.000 0.814 691 L CB 0.739 42.841 42.059 0.072 0.000 1.203 691 L HN 0.511 nan 8.230 nan 0.000 0.423 692 L N 4.718 125.969 121.223 0.047 0.000 3.100 692 L HA 0.384 4.725 4.340 0.002 0.000 0.259 692 L C 0.426 177.311 176.870 0.024 0.000 1.316 692 L CA -0.100 54.757 54.840 0.029 0.000 0.992 692 L CB 0.029 41.981 42.059 -0.178 0.000 1.390 692 L HN 0.622 nan 8.230 nan 0.000 0.550 693 S N -1.729 114.003 115.700 0.053 0.000 2.562 693 S HA 0.560 5.032 4.470 0.002 0.000 0.275 693 S C 1.191 175.833 174.600 0.070 0.000 1.281 693 S CA -0.107 58.133 58.200 0.065 0.000 1.045 693 S CB 1.798 65.043 63.200 0.076 0.000 0.962 693 S HN 0.334 nan 8.310 nan 0.000 0.503 694 G N 0.708 109.554 108.800 0.076 0.000 2.744 694 G HA2 0.221 4.183 3.960 0.002 0.000 0.211 694 G HA3 0.221 4.183 3.960 0.002 0.000 0.211 694 G C 0.312 175.263 174.900 0.085 0.000 1.146 694 G CA -0.087 45.059 45.100 0.078 0.000 0.787 694 G HN 0.681 nan 8.290 nan 0.000 0.534 695 Q N -1.253 118.603 119.800 0.093 0.000 2.484 695 Q HA 0.319 4.660 4.340 0.002 0.000 0.285 695 Q C -1.387 174.698 176.000 0.142 0.000 1.097 695 Q CA -1.253 54.621 55.803 0.119 0.000 0.802 695 Q CB 2.084 30.886 28.738 0.107 0.000 1.444 695 Q HN 0.178 nan 8.270 nan 0.000 0.429 696 Y N 0.716 121.045 120.300 0.049 0.000 2.944 696 Y HA -0.163 4.388 4.550 0.002 0.000 0.340 696 Y C -0.068 175.849 175.900 0.029 0.000 1.275 696 Y CA 1.298 59.419 58.100 0.036 0.000 1.590 696 Y CB 0.395 38.870 38.460 0.024 0.000 1.218 696 Y HN 0.512 nan 8.280 nan 0.000 0.576 697 S N 4.537 119.860 115.700 -0.629 0.000 2.937 697 S HA 0.050 4.521 4.470 0.002 0.000 0.252 697 S C -0.531 173.667 174.600 -0.670 0.000 1.022 697 S CA 0.159 58.059 58.200 -0.501 0.000 1.079 697 S CB -0.115 62.957 63.200 -0.214 0.000 1.035 697 S HN 0.877 nan 8.310 nan 0.000 0.594 698 D N 1.472 121.095 120.400 -1.294 0.000 2.697 698 D HA -0.155 4.486 4.640 0.002 0.000 0.238 698 D C 0.544 176.633 176.300 -0.352 0.000 1.152 698 D CA 0.110 53.686 54.000 -0.707 0.000 0.666 698 D CB -1.277 39.327 40.800 -0.326 0.000 1.037 698 D HN 0.407 nan 8.370 nan 0.000 0.423 699 L N 0.727 121.752 121.223 -0.330 0.000 2.265 699 L HA 0.013 4.354 4.340 0.002 0.000 0.215 699 L C 2.474 179.237 176.870 -0.178 0.000 1.117 699 L CA 2.519 57.202 54.840 -0.262 0.000 0.782 699 L CB -0.558 41.315 42.059 -0.310 0.000 0.914 699 L HN 0.316 nan 8.230 nan 0.000 0.441 700 A N -1.626 121.128 122.820 -0.110 0.000 1.978 700 A HA -0.178 4.143 4.320 0.002 0.000 0.220 700 A C 2.378 179.942 177.584 -0.033 0.000 1.170 700 A CA 2.075 54.082 52.037 -0.050 0.000 0.636 700 A CB -0.634 18.372 19.000 0.011 0.000 0.810 700 A HN 0.545 nan 8.150 nan 0.000 0.448 701 S N -0.709 114.962 115.700 -0.048 0.000 2.427 701 S HA 0.146 4.617 4.470 0.002 0.000 0.224 701 S C 1.743 176.261 174.600 -0.136 0.000 1.047 701 S CA 0.655 58.853 58.200 -0.003 0.000 0.953 701 S CB -0.270 62.967 63.200 0.062 0.000 0.824 701 S HN 0.493 nan 8.310 nan 0.000 0.502 702 L N 1.390 122.415 121.223 -0.330 0.000 2.093 702 L HA -0.021 4.321 4.340 0.002 0.000 0.208 702 L C 2.695 179.403 176.870 -0.271 0.000 1.085 702 L CA 1.156 55.682 54.840 -0.522 0.000 0.755 702 L CB -1.125 40.669 42.059 -0.441 0.000 0.904 702 L HN 0.418 nan 8.230 nan 0.000 0.435 703 G N -0.566 108.125 108.800 -0.182 0.000 2.462 703 G HA2 -0.255 3.706 3.960 0.002 0.000 0.220 703 G HA3 -0.255 3.706 3.960 0.002 0.000 0.220 703 G C 1.583 176.432 174.900 -0.084 0.000 1.121 703 G CA 0.917 45.935 45.100 -0.137 0.000 0.758 703 G HN 0.423 nan 8.290 nan 0.000 0.559 704 C N -0.081 119.215 119.300 -0.006 0.000 2.411 704 C HA -0.054 4.407 4.460 0.002 0.000 0.279 704 C C 2.618 177.694 174.990 0.142 0.000 1.288 704 C CA 0.464 59.559 59.018 0.129 0.000 1.764 704 C CB -0.953 26.935 27.740 0.247 0.000 1.974 704 C HN 0.495 nan 8.230 nan 0.000 0.498 705 I N 1.225 121.847 120.570 0.088 0.000 2.335 705 I HA -0.183 3.988 4.170 0.002 0.000 0.251 705 I C 2.327 178.467 176.117 0.038 0.000 1.129 705 I CA 1.754 63.103 61.300 0.082 0.000 1.402 705 I CB -0.106 37.944 38.000 0.084 0.000 1.069 705 I HN 0.214 nan 8.210 nan 0.000 0.424 706 S N -0.252 115.437 115.700 -0.018 0.000 2.441 706 S HA 0.067 4.538 4.470 0.002 0.000 0.224 706 S C 1.956 176.497 174.600 -0.098 0.000 1.043 706 S CA 0.137 58.309 58.200 -0.045 0.000 0.948 706 S CB -0.106 63.043 63.200 -0.085 0.000 0.810 706 S HN 0.393 nan 8.310 nan 0.000 0.504 707 R N 0.466 120.853 120.500 -0.187 0.000 2.083 707 R HA -0.090 4.252 4.340 0.002 0.000 0.237 707 R C 1.541 177.576 176.300 -0.441 0.000 1.137 707 R CA 1.542 57.406 56.100 -0.394 0.000 0.951 707 R CB -0.491 29.451 30.300 -0.595 0.000 0.851 707 R HN 0.442 nan 8.270 nan 0.000 0.434 708 Y N 0.167 120.439 120.300 -0.047 0.000 2.546 708 Y HA -0.006 4.545 4.550 0.002 0.000 0.287 708 Y C 2.129 178.045 175.900 0.027 0.000 1.158 708 Y CA 0.757 58.855 58.100 -0.004 0.000 1.307 708 Y CB 0.231 38.668 38.460 -0.039 0.000 1.036 708 Y HN 0.101 nan 8.280 nan 0.000 0.532 709 S N -1.166 114.600 115.700 0.110 0.000 2.539 709 S HA 0.532 5.003 4.470 0.002 0.000 0.221 709 S C 1.317 175.983 174.600 0.109 0.000 0.987 709 S CA 0.044 58.308 58.200 0.107 0.000 0.929 709 S CB 0.097 63.346 63.200 0.081 0.000 0.832 709 S HN 0.369 nan 8.310 nan 0.000 0.492 710 A N -0.249 122.623 122.820 0.086 0.000 2.969 710 A HA 0.001 4.322 4.320 0.002 0.000 0.252 710 A C 0.985 178.619 177.584 0.083 0.000 1.377 710 A CA 0.778 52.878 52.037 0.105 0.000 0.859 710 A CB -2.286 16.816 19.000 0.169 0.000 1.077 710 A HN 1.266 nan 8.150 nan 0.000 0.671 711 G N -1.312 107.520 108.800 0.052 0.000 2.574 711 G HA2 0.783 4.744 3.960 0.002 0.000 0.248 711 G HA3 0.783 4.744 3.960 0.002 0.000 0.248 711 G C 0.105 175.011 174.900 0.011 0.000 1.422 711 G CA 0.450 45.594 45.100 0.073 0.000 1.051 711 G HN 1.580 nan 8.290 nan 0.000 0.560 712 S N -2.296 113.403 115.700 -0.002 0.000 2.596 712 S HA 0.582 5.054 4.470 0.002 0.000 0.270 712 S C -1.014 173.424 174.600 -0.270 0.000 1.155 712 S CA -0.535 57.567 58.200 -0.163 0.000 0.827 712 S CB 1.418 64.488 63.200 -0.217 0.000 1.130 712 S HN 1.429 nan 8.310 nan 0.000 0.467 713 V N 0.679 120.355 119.914 -0.396 0.000 2.555 713 V HA 0.782 4.903 4.120 0.002 0.000 0.302 713 V C -2.143 173.649 176.094 -0.502 0.000 1.038 713 V CA -0.491 61.604 62.300 -0.342 0.000 0.887 713 V CB 0.886 32.609 31.823 -0.167 0.000 0.991 713 V HN 0.851 nan 8.190 nan 0.000 0.434 714 Y N 5.568 125.640 120.300 -0.381 0.000 2.376 714 Y HA 0.661 5.212 4.550 0.002 0.000 0.340 714 Y C -0.739 174.815 175.900 -0.576 0.000 0.965 714 Y CA -0.567 57.281 58.100 -0.421 0.000 1.078 714 Y CB 2.012 40.190 38.460 -0.471 0.000 1.193 714 Y HN 0.797 nan 8.280 nan 0.000 0.452 715 Y N 3.217 122.783 120.300 -1.224 0.000 2.409 715 Y HA 0.533 5.084 4.550 0.002 0.000 0.343 715 Y C -1.868 173.261 175.900 -1.285 0.000 0.973 715 Y CA -2.316 55.037 58.100 -1.244 0.000 1.064 715 Y CB 0.988 38.345 38.460 -1.839 0.000 1.207 715 Y HN 0.562 nan 8.280 nan 0.000 0.452 716 Y N 6.772 126.713 120.300 -0.597 0.000 2.628 716 Y HA 0.333 4.884 4.550 0.002 0.000 0.354 716 Y C -2.462 173.116 175.900 -0.537 0.000 1.061 716 Y CA -2.772 55.088 58.100 -0.401 0.000 1.251 716 Y CB 0.640 39.101 38.460 0.002 0.000 1.098 716 Y HN 0.436 nan 8.280 nan 0.000 0.626 717 P HA -0.071 nan 4.420 nan 0.000 0.261 717 P C 0.249 177.458 177.300 -0.152 0.000 1.183 717 P CA 0.894 63.670 63.100 -0.540 0.000 0.761 717 P CB 1.121 32.551 31.700 -0.449 0.000 0.785 718 S N 0.118 115.792 115.700 -0.043 0.000 3.581 718 S HA -0.253 4.218 4.470 0.002 0.000 0.354 718 S C 0.246 174.913 174.600 0.113 0.000 1.059 718 S CA 0.437 58.666 58.200 0.049 0.000 1.060 718 S CB -2.598 60.612 63.200 0.018 0.000 0.908 718 S HN 0.649 nan 8.310 nan 0.000 0.475 719 Y N 2.270 122.586 120.300 0.027 0.000 2.712 719 Y HA 0.253 4.804 4.550 0.002 0.000 0.333 719 Y C 0.620 176.599 175.900 0.131 0.000 1.225 719 Y CA 0.692 58.830 58.100 0.062 0.000 1.499 719 Y CB 0.436 38.918 38.460 0.036 0.000 1.288 719 Y HN 0.467 nan 8.280 nan 0.000 0.575 720 H N 6.453 125.391 119.070 -0.221 0.000 3.099 720 H HA 0.076 4.634 4.556 0.002 0.000 0.342 720 H C 0.489 175.677 175.328 -0.234 0.000 1.054 720 H CA -0.481 55.546 56.048 -0.034 0.000 1.328 720 H CB 0.739 30.485 29.762 -0.027 0.000 1.876 720 H HN 1.002 nan 8.280 nan 0.000 0.495 721 H N 2.570 121.506 119.070 -0.222 0.000 2.426 721 H HA -0.119 4.438 4.556 0.002 0.000 0.298 721 H C 0.431 175.725 175.328 -0.056 0.000 1.107 721 H CA 1.667 57.639 56.048 -0.127 0.000 1.298 721 H CB 0.353 30.050 29.762 -0.108 0.000 1.377 721 H HN 0.566 nan 8.280 nan 0.000 0.519 722 Q N -0.753 118.792 119.800 -0.425 0.000 2.499 722 Q HA 0.030 4.371 4.340 0.002 0.000 0.213 722 Q C 2.229 178.124 176.000 -0.175 0.000 0.929 722 Q CA -0.053 55.545 55.803 -0.341 0.000 0.904 722 Q CB 0.488 28.905 28.738 -0.535 0.000 1.052 722 Q HN 0.497 nan 8.270 nan 0.000 0.589 723 H N 0.174 119.140 119.070 -0.174 0.000 2.457 723 H HA 0.018 4.575 4.556 0.002 0.000 0.294 723 H C 0.696 175.922 175.328 -0.171 0.000 1.064 723 H CA 0.866 56.756 56.048 -0.262 0.000 1.330 723 H CB 0.112 29.578 29.762 -0.494 0.000 1.395 723 H HN 0.066 nan 8.280 nan 0.000 0.541 724 N N 1.010 119.685 118.700 -0.041 0.000 2.886 724 N HA 0.059 4.800 4.740 0.002 0.000 0.285 724 N C -1.926 173.473 175.510 -0.186 0.000 1.706 724 N CA -1.682 51.294 53.050 -0.123 0.000 0.904 724 N CB 0.804 39.203 38.487 -0.147 0.000 1.224 724 N HN 0.075 nan 8.380 nan 0.000 0.488 725 P HA -0.125 nan 4.420 nan 0.000 0.222 725 P C 1.271 178.498 177.300 -0.122 0.000 1.142 725 P CA 0.766 63.792 63.100 -0.124 0.000 0.788 725 P CB 0.724 32.371 31.700 -0.087 0.000 0.767 726 V N 0.239 120.063 119.914 -0.149 0.000 2.446 726 V HA -0.138 3.983 4.120 0.002 0.000 0.244 726 V C 2.755 178.809 176.094 -0.065 0.000 1.039 726 V CA 1.531 63.750 62.300 -0.136 0.000 1.045 726 V CB -1.059 30.601 31.823 -0.272 0.000 0.681 726 V HN 0.058 nan 8.190 nan 0.000 0.459 727 Q N -0.248 119.493 119.800 -0.099 0.000 2.291 727 Q HA -0.067 4.274 4.340 0.002 0.000 0.205 727 Q C 2.301 178.275 176.000 -0.045 0.000 0.970 727 Q CA 1.058 56.857 55.803 -0.007 0.000 0.876 727 Q CB -0.449 28.268 28.738 -0.034 0.000 0.935 727 Q HN 0.538 nan 8.270 nan 0.000 0.455 728 V N 0.728 120.502 119.914 -0.233 0.000 2.270 728 V HA -0.264 3.857 4.120 0.002 0.000 0.245 728 V C 2.418 178.529 176.094 0.029 0.000 1.043 728 V CA 2.059 64.268 62.300 -0.151 0.000 1.014 728 V CB -0.480 31.231 31.823 -0.187 0.000 0.645 728 V HN 0.376 nan 8.190 nan 0.000 0.447 729 Q N -0.186 119.627 119.800 0.022 0.000 2.167 729 Q HA -0.217 4.124 4.340 0.002 0.000 0.202 729 Q C 2.318 178.397 176.000 0.132 0.000 0.970 729 Q CA 1.622 57.465 55.803 0.067 0.000 0.855 729 Q CB -0.065 28.714 28.738 0.069 0.000 0.911 729 Q HN 0.599 nan 8.270 nan 0.000 0.438 730 K N 0.047 120.547 120.400 0.167 0.000 2.002 730 K HA -0.194 4.127 4.320 0.002 0.000 0.209 730 K C 2.074 178.851 176.600 0.295 0.000 1.048 730 K CA 1.308 57.748 56.287 0.256 0.000 0.930 730 K CB -0.227 32.453 32.500 0.299 0.000 0.714 730 K HN 0.248 nan 8.250 nan 0.000 0.438 731 L N 1.787 123.128 121.223 0.198 0.000 2.042 731 L HA -0.223 4.118 4.340 0.002 0.000 0.210 731 L C 2.440 179.355 176.870 0.074 0.000 1.076 731 L CA 1.911 56.734 54.840 -0.028 0.000 0.749 731 L CB -0.827 41.051 42.059 -0.302 0.000 0.893 731 L HN 0.291 nan 8.230 nan 0.000 0.432 732 Q N -0.055 119.795 119.800 0.084 0.000 2.014 732 Q HA -0.234 4.107 4.340 0.002 0.000 0.207 732 Q C 2.133 178.191 176.000 0.097 0.000 0.993 732 Q CA 2.109 57.947 55.803 0.059 0.000 0.850 732 Q CB -0.215 28.544 28.738 0.034 0.000 0.916 732 Q HN 0.387 nan 8.270 nan 0.000 0.417 733 K N 0.251 120.739 120.400 0.147 0.000 2.148 733 K HA -0.105 4.216 4.320 0.002 0.000 0.204 733 K C 2.066 178.878 176.600 0.353 0.000 1.050 733 K CA 1.337 57.748 56.287 0.205 0.000 0.942 733 K CB -0.065 32.601 32.500 0.277 0.000 0.724 733 K HN 0.457 nan 8.250 nan 0.000 0.446 734 E N 0.680 121.129 120.200 0.416 0.000 2.107 734 E HA -0.026 4.325 4.350 0.002 0.000 0.191 734 E C 2.121 179.006 176.600 0.475 0.000 0.982 734 E CA 0.359 57.144 56.400 0.642 0.000 0.809 734 E CB 0.036 30.081 29.700 0.575 0.000 0.756 734 E HN 0.142 nan 8.360 nan 0.000 0.459 735 L N 0.728 122.117 121.223 0.276 0.000 2.056 735 L HA -0.232 4.109 4.340 0.002 0.000 0.207 735 L C 2.685 179.687 176.870 0.220 0.000 1.078 735 L CA 1.038 56.002 54.840 0.208 0.000 0.749 735 L CB -0.217 41.884 42.059 0.069 0.000 0.901 735 L HN 0.159 nan 8.230 nan 0.000 0.433 736 Q N 0.447 120.339 119.800 0.153 0.000 2.045 736 Q HA -0.292 4.050 4.340 0.002 0.000 0.206 736 Q C 2.184 178.233 176.000 0.081 0.000 0.991 736 Q CA 2.117 57.974 55.803 0.091 0.000 0.851 736 Q CB -0.171 28.602 28.738 0.058 0.000 0.911 736 Q HN 0.153 nan 8.270 nan 0.000 0.418 737 R N -0.866 119.684 120.500 0.083 0.000 2.073 737 R HA -0.173 4.168 4.340 0.002 0.000 0.234 737 R C 2.146 178.442 176.300 -0.006 0.000 1.134 737 R CA 1.954 57.998 56.100 -0.093 0.000 0.952 737 R CB -1.370 28.603 30.300 -0.544 0.000 0.850 737 R HN 0.523 nan 8.270 nan 0.000 0.433 738 Y N 0.475 120.786 120.300 0.018 0.000 2.165 738 Y HA -0.156 4.395 4.550 0.002 0.000 0.286 738 Y C 1.679 177.628 175.900 0.082 0.000 1.155 738 Y CA 2.099 60.259 58.100 0.100 0.000 1.164 738 Y CB -0.124 38.444 38.460 0.180 0.000 0.978 738 Y HN 0.105 nan 8.280 nan 0.000 0.513 739 L N -0.844 120.446 121.223 0.113 0.000 2.341 739 L HA -0.055 4.286 4.340 0.002 0.000 0.214 739 L C 2.149 178.978 176.870 -0.068 0.000 1.115 739 L CA 1.428 56.259 54.840 -0.014 0.000 0.820 739 L CB -0.457 41.644 42.059 0.070 0.000 0.944 739 L HN 0.355 nan 8.230 nan 0.000 0.452 740 T N -3.199 111.331 114.554 -0.039 0.000 2.990 740 T HA 0.068 4.419 4.350 0.002 0.000 0.249 740 T C 1.072 175.745 174.700 -0.046 0.000 1.039 740 T CA -0.586 61.491 62.100 -0.038 0.000 1.036 740 T CB -0.008 68.846 68.868 -0.023 0.000 0.994 740 T HN 0.243 nan 8.240 nan 0.000 0.489 741 R N 2.594 123.054 120.500 -0.067 0.000 2.784 741 R HA 0.240 4.581 4.340 0.002 0.000 0.266 741 R C 0.219 176.489 176.300 -0.051 0.000 1.044 741 R CA -0.671 55.386 56.100 -0.073 0.000 1.151 741 R CB 0.298 30.546 30.300 -0.087 0.000 1.037 741 R HN 0.445 nan 8.270 nan 0.000 0.478 742 K N 1.560 121.921 120.400 -0.067 0.000 2.230 742 K HA 0.275 4.596 4.320 0.002 0.000 0.253 742 K C -0.367 176.251 176.600 0.029 0.000 1.008 742 K CA -0.463 55.802 56.287 -0.037 0.000 0.910 742 K CB 0.682 33.101 32.500 -0.135 0.000 0.994 742 K HN 0.684 nan 8.250 nan 0.000 0.495 743 I N -0.413 120.217 120.570 0.100 0.000 2.894 743 I HA 0.481 4.653 4.170 0.002 0.000 0.302 743 I C -1.174 174.967 176.117 0.040 0.000 1.188 743 I CA -0.726 60.601 61.300 0.047 0.000 1.014 743 I CB 2.365 40.267 38.000 -0.164 0.000 1.242 743 I HN 0.899 nan 8.210 nan 0.000 0.430 744 G N 4.685 113.381 108.800 -0.173 0.000 2.482 744 G HA2 0.682 4.644 3.960 0.002 0.000 0.317 744 G HA3 0.682 4.644 3.960 0.002 0.000 0.317 744 G C -1.747 172.958 174.900 -0.325 0.000 1.241 744 G CA -0.349 44.677 45.100 -0.123 0.000 0.967 744 G HN 0.367 nan 8.290 nan 0.000 0.482 745 F N -0.026 120.030 119.950 0.177 0.000 2.541 745 F HA 0.371 4.900 4.527 0.002 0.000 0.331 745 F C 0.985 176.834 175.800 0.081 0.000 1.057 745 F CA -0.549 57.505 58.000 0.089 0.000 0.975 745 F CB 1.601 40.632 39.000 0.052 0.000 1.246 745 F HN 0.792 nan 8.300 nan 0.000 0.484 746 E N -0.692 119.665 120.200 0.263 0.000 2.103 746 E HA -0.161 4.190 4.350 0.002 0.000 0.186 746 E C -0.893 175.780 176.600 0.120 0.000 1.392 746 E CA 0.235 56.730 56.400 0.157 0.000 0.691 746 E CB -1.661 28.116 29.700 0.128 0.000 1.068 746 E HN 0.621 nan 8.360 nan 0.000 0.328 747 A N 0.848 123.723 122.820 0.091 0.000 2.281 747 A HA 0.804 5.126 4.320 0.002 0.000 0.329 747 A C 0.247 177.840 177.584 0.015 0.000 1.122 747 A CA -0.140 51.934 52.037 0.062 0.000 0.850 747 A CB 1.739 20.748 19.000 0.016 0.000 1.207 747 A HN 0.891 nan 8.150 nan 0.000 0.495 748 V N -1.263 118.647 119.914 -0.007 0.000 2.925 748 V HA 0.842 4.963 4.120 0.002 0.000 0.311 748 V C -0.623 175.418 176.094 -0.088 0.000 1.104 748 V CA -0.717 61.550 62.300 -0.055 0.000 0.954 748 V CB 1.546 33.341 31.823 -0.045 0.000 1.022 748 V HN 1.132 nan 8.190 nan 0.000 0.427 749 M N 3.378 122.880 119.600 -0.162 0.000 2.457 749 M HA 0.829 5.311 4.480 0.002 0.000 0.300 749 M C -1.016 175.177 176.300 -0.178 0.000 1.141 749 M CA -0.695 54.499 55.300 -0.178 0.000 0.901 749 M CB 2.333 34.760 32.600 -0.288 0.000 1.687 749 M HN 0.974 nan 8.290 nan 0.000 0.449 750 R N 3.984 124.431 120.500 -0.089 0.000 2.621 750 R HA 0.740 5.081 4.340 0.002 0.000 0.292 750 R C -2.091 174.225 176.300 0.027 0.000 0.969 750 R CA -0.307 55.767 56.100 -0.043 0.000 0.887 750 R CB 1.544 31.844 30.300 -0.001 0.000 1.180 750 R HN 0.805 nan 8.270 nan 0.000 0.450 751 I N 4.350 124.967 120.570 0.079 0.000 2.382 751 I HA 0.484 4.655 4.170 0.002 0.000 0.286 751 I C -0.030 176.195 176.117 0.180 0.000 1.002 751 I CA -0.712 60.679 61.300 0.151 0.000 1.135 751 I CB 1.772 39.876 38.000 0.174 0.000 1.288 751 I HN 0.433 nan 8.210 nan 0.000 0.448 752 R N 5.066 125.688 120.500 0.204 0.000 2.589 752 R HA 0.776 5.118 4.340 0.002 0.000 0.293 752 R C -1.010 175.401 176.300 0.186 0.000 0.963 752 R CA -0.604 55.594 56.100 0.163 0.000 0.905 752 R CB 2.120 32.497 30.300 0.129 0.000 1.144 752 R HN 0.834 nan 8.270 nan 0.000 0.459 753 C N -1.008 118.355 119.300 0.106 0.000 2.994 753 C HA 0.525 4.986 4.460 0.002 0.000 0.305 753 C C 0.390 175.310 174.990 -0.116 0.000 1.251 753 C CA -0.994 58.023 59.018 -0.001 0.000 1.478 753 C CB 1.380 29.260 27.740 0.233 0.000 1.922 753 C HN 0.774 nan 8.230 nan 0.000 0.472 754 T N 2.309 116.703 114.554 -0.267 0.000 2.939 754 T HA 0.026 4.378 4.350 0.002 0.000 0.312 754 T C 0.342 174.943 174.700 -0.166 0.000 1.064 754 T CA 0.609 62.560 62.100 -0.248 0.000 1.136 754 T CB 0.180 68.896 68.868 -0.255 0.000 1.035 754 T HN 0.872 nan 8.240 nan 0.000 0.538 755 K N 1.432 121.701 120.400 -0.220 0.000 2.491 755 K HA 0.124 4.445 4.320 0.002 0.000 0.279 755 K C 1.311 177.896 176.600 -0.026 0.000 1.026 755 K CA 1.002 57.216 56.287 -0.121 0.000 1.070 755 K CB -0.424 31.979 32.500 -0.161 0.000 0.887 755 K HN 0.914 nan 8.250 nan 0.000 0.481 756 G N 3.365 112.168 108.800 0.005 0.000 2.391 756 G HA2 -0.197 3.765 3.960 0.002 0.000 0.204 756 G HA3 -0.197 3.765 3.960 0.002 0.000 0.204 756 G C -0.229 174.694 174.900 0.038 0.000 1.012 756 G CA -0.300 44.820 45.100 0.032 0.000 0.651 756 G HN 0.510 nan 8.290 nan 0.000 0.494 757 L N 1.642 122.888 121.223 0.038 0.000 2.309 757 L HA 0.767 5.108 4.340 0.002 0.000 0.282 757 L C 0.183 177.098 176.870 0.076 0.000 1.036 757 L CA -0.604 54.283 54.840 0.078 0.000 0.806 757 L CB 1.979 44.118 42.059 0.134 0.000 1.220 757 L HN 0.204 nan 8.230 nan 0.000 0.429 758 S N 2.630 118.380 115.700 0.083 0.000 2.538 758 S HA 0.656 5.128 4.470 0.002 0.000 0.288 758 S C -0.768 173.864 174.600 0.054 0.000 1.108 758 S CA -0.570 57.673 58.200 0.071 0.000 0.971 758 S CB 1.083 64.324 63.200 0.069 0.000 1.041 758 S HN 0.324 nan 8.310 nan 0.000 0.483 759 I N 5.931 126.493 120.570 -0.013 0.000 2.371 759 I HA 0.331 4.503 4.170 0.002 0.000 0.290 759 I C 1.464 177.479 176.117 -0.170 0.000 1.028 759 I CA -0.009 61.173 61.300 -0.198 0.000 1.345 759 I CB 0.980 38.765 38.000 -0.357 0.000 1.407 759 I HN 0.816 nan 8.210 nan 0.000 0.501 760 H N 2.147 121.099 119.070 -0.197 0.000 3.017 760 H HA 0.333 4.890 4.556 0.002 0.000 0.255 760 H C -0.385 174.860 175.328 -0.138 0.000 0.990 760 H CA -0.140 55.839 56.048 -0.115 0.000 1.205 760 H CB 0.639 30.373 29.762 -0.048 0.000 1.460 760 H HN 0.436 nan 8.280 nan 0.000 0.478 761 T N 1.410 115.639 114.554 -0.541 0.000 2.916 761 T HA 0.446 4.797 4.350 0.002 0.000 0.298 761 T C -1.263 173.103 174.700 -0.556 0.000 1.031 761 T CA -0.503 61.380 62.100 -0.362 0.000 0.993 761 T CB 1.835 70.554 68.868 -0.249 0.000 1.045 761 T HN 0.032 nan 8.240 nan 0.000 0.454 762 F N 2.237 122.056 119.950 -0.218 0.000 2.469 762 F HA 0.502 5.031 4.527 0.002 0.000 0.332 762 F C 0.745 176.475 175.800 -0.116 0.000 1.103 762 F CA -0.840 57.118 58.000 -0.070 0.000 0.979 762 F CB 1.432 40.468 39.000 0.060 0.000 1.137 762 F HN 0.463 nan 8.300 nan 0.000 0.463 763 H N 1.333 120.693 119.070 0.484 0.000 2.589 763 H HA 0.737 5.294 4.556 0.002 0.000 0.351 763 H C 0.231 175.772 175.328 0.355 0.000 1.074 763 H CA -0.723 55.500 56.048 0.290 0.000 1.203 763 H CB 1.683 31.522 29.762 0.129 0.000 1.558 763 H HN 0.855 nan 8.280 nan 0.000 0.522 764 G N 2.106 110.951 108.800 0.074 0.000 2.359 764 G HA2 -0.160 3.801 3.960 0.002 0.000 0.303 764 G HA3 -0.160 3.801 3.960 0.002 0.000 0.303 764 G C -1.492 172.990 174.900 -0.698 0.000 1.293 764 G CA -1.157 43.879 45.100 -0.107 0.000 0.964 764 G HN 0.447 nan 8.290 nan 0.000 0.531 765 N N 0.916 119.366 118.700 -0.417 0.000 2.462 765 N HA 0.800 5.542 4.740 0.002 0.000 0.242 765 N C -0.397 175.004 175.510 -0.181 0.000 1.010 765 N CA 0.142 52.944 53.050 -0.413 0.000 0.939 765 N CB 0.373 38.736 38.487 -0.206 0.000 1.127 765 N HN 0.777 nan 8.380 nan 0.000 0.509 766 F N -0.409 119.585 119.950 0.074 0.000 3.410 766 F HA 0.514 5.043 4.527 0.002 0.000 0.328 766 F C -2.050 173.865 175.800 0.192 0.000 1.099 766 F CA -1.657 56.412 58.000 0.115 0.000 0.841 766 F CB 0.685 39.726 39.000 0.067 0.000 1.527 766 F HN 0.082 nan 8.300 nan 0.000 0.478 767 F N 2.005 122.217 119.950 0.437 0.000 2.539 767 F HA 0.771 5.299 4.527 0.002 0.000 0.318 767 F C -1.491 174.436 175.800 0.211 0.000 1.135 767 F CA -1.554 56.637 58.000 0.319 0.000 0.915 767 F CB 1.679 40.795 39.000 0.194 0.000 1.176 767 F HN 0.470 nan 8.300 nan 0.000 0.440 768 V N 7.728 127.328 119.914 -0.523 0.000 2.408 768 V HA 0.419 4.540 4.120 0.002 0.000 0.267 768 V C 0.685 176.184 176.094 -0.991 0.000 1.047 768 V CA -0.583 61.315 62.300 -0.669 0.000 0.937 768 V CB 0.418 31.968 31.823 -0.455 0.000 0.999 768 V HN 0.724 nan 8.190 nan 0.000 0.472 769 R N 2.670 122.758 120.500 -0.686 0.000 2.568 769 R HA 0.435 4.777 4.340 0.002 0.000 0.206 769 R C 0.666 176.801 176.300 -0.275 0.000 1.178 769 R CA -0.260 55.569 56.100 -0.451 0.000 1.040 769 R CB 0.203 30.372 30.300 -0.218 0.000 1.562 769 R HN 0.749 nan 8.270 nan 0.000 0.512 770 S N -0.526 115.085 115.700 -0.149 0.000 2.584 770 S HA 0.126 4.598 4.470 0.002 0.000 0.273 770 S C -0.126 174.419 174.600 -0.092 0.000 1.311 770 S CA -0.303 57.840 58.200 -0.095 0.000 1.034 770 S CB 0.970 64.141 63.200 -0.049 0.000 0.939 770 S HN 0.515 nan 8.310 nan 0.000 0.513 771 T N 1.649 116.166 114.554 -0.061 0.000 4.039 771 T HA -0.126 4.225 4.350 0.002 0.000 0.352 771 T C -0.555 174.106 174.700 -0.065 0.000 0.756 771 T CA 0.969 63.044 62.100 -0.042 0.000 1.923 771 T CB -2.426 66.418 68.868 -0.039 0.000 1.848 771 T HN 0.937 nan 8.240 nan 0.000 0.835 772 D N -0.254 120.086 120.400 -0.100 0.000 2.980 772 D HA -0.162 4.479 4.640 0.002 0.000 0.218 772 D C -0.014 176.113 176.300 -0.289 0.000 1.225 772 D CA 0.694 54.567 54.000 -0.212 0.000 0.804 772 D CB -0.542 40.279 40.800 0.036 0.000 0.906 772 D HN 0.616 nan 8.370 nan 0.000 0.396 773 L N 1.540 122.563 121.223 -0.333 0.000 2.313 773 L HA 0.368 4.709 4.340 0.002 0.000 0.283 773 L C 0.252 176.877 176.870 -0.407 0.000 1.013 773 L CA -0.828 53.838 54.840 -0.290 0.000 0.816 773 L CB 1.233 43.177 42.059 -0.191 0.000 1.236 773 L HN 0.079 nan 8.230 nan 0.000 0.419 774 L N 3.684 124.646 121.223 -0.436 0.000 2.261 774 L HA 0.231 4.572 4.340 0.002 0.000 0.289 774 L C 0.450 177.176 176.870 -0.240 0.000 1.059 774 L CA 0.020 54.553 54.840 -0.512 0.000 0.816 774 L CB 1.401 43.016 42.059 -0.740 0.000 1.191 774 L HN 0.557 nan 8.230 nan 0.000 0.431 775 S N 5.155 120.800 115.700 -0.091 0.000 2.465 775 S HA 0.526 4.997 4.470 0.002 0.000 0.279 775 S C -0.304 174.368 174.600 0.120 0.000 1.201 775 S CA -0.485 57.747 58.200 0.053 0.000 1.053 775 S CB 0.144 63.455 63.200 0.185 0.000 0.953 775 S HN 0.483 nan 8.310 nan 0.000 0.488 776 L N 7.626 128.894 121.223 0.074 0.000 2.433 776 L HA 0.345 4.686 4.340 0.002 0.000 0.256 776 L C -1.925 174.993 176.870 0.079 0.000 1.063 776 L CA -1.778 53.116 54.840 0.089 0.000 0.922 776 L CB 1.648 43.716 42.059 0.015 0.000 1.238 776 L HN 0.439 nan 8.230 nan 0.000 0.466 777 P HA -0.157 nan 4.420 nan 0.000 0.218 777 P C -0.121 177.243 177.300 0.107 0.000 1.152 777 P CA 1.488 64.658 63.100 0.118 0.000 0.857 777 P CB 0.184 31.960 31.700 0.127 0.000 0.787 778 N N -2.598 116.138 118.700 0.060 0.000 2.284 778 N HA 0.419 5.160 4.740 0.002 0.000 0.289 778 N C -1.792 173.684 175.510 -0.056 0.000 1.179 778 N CA -0.680 52.349 53.050 -0.034 0.000 0.774 778 N CB 2.183 40.660 38.487 -0.016 0.000 1.548 778 N HN -0.346 nan 8.380 nan 0.000 0.473 779 V N 2.247 122.053 119.914 -0.181 0.000 2.483 779 V HA 0.563 4.685 4.120 0.002 0.000 0.297 779 V C -1.176 174.872 176.094 -0.077 0.000 1.027 779 V CA -0.675 61.492 62.300 -0.222 0.000 0.855 779 V CB 1.015 32.452 31.823 -0.643 0.000 0.995 779 V HN 0.839 nan 8.190 nan 0.000 0.424 780 N N 7.323 126.115 118.700 0.153 0.000 2.384 780 N HA 0.553 5.294 4.740 0.002 0.000 0.301 780 N C -2.362 173.408 175.510 0.433 0.000 1.133 780 N CA -1.842 51.381 53.050 0.288 0.000 0.853 780 N CB 2.377 40.982 38.487 0.198 0.000 1.241 780 N HN 0.397 nan 8.380 nan 0.000 0.502 781 P HA 0.028 nan 4.420 nan 0.000 0.239 781 P C -0.357 177.154 177.300 0.352 0.000 1.184 781 P CA 0.803 64.038 63.100 0.225 0.000 0.760 781 P CB 0.286 31.937 31.700 -0.081 0.000 0.884 782 D N -0.539 120.031 120.400 0.284 0.000 2.440 782 D HA 0.218 4.859 4.640 0.002 0.000 0.216 782 D C 0.637 176.985 176.300 0.078 0.000 1.150 782 D CA -0.070 54.078 54.000 0.247 0.000 0.832 782 D CB 0.671 41.623 40.800 0.254 0.000 0.992 782 D HN 0.118 nan 8.370 nan 0.000 0.502 783 A N 0.516 123.378 122.820 0.069 0.000 2.306 783 A HA 0.681 5.003 4.320 0.002 0.000 0.314 783 A C 0.604 177.976 177.584 -0.354 0.000 1.164 783 A CA -0.379 51.562 52.037 -0.160 0.000 0.822 783 A CB 1.213 20.141 19.000 -0.119 0.000 1.130 783 A HN 0.100 nan 8.150 nan 0.000 0.496 784 G N -0.098 108.376 108.800 -0.544 0.000 2.453 784 G HA2 0.637 4.599 3.960 0.002 0.000 0.323 784 G HA3 0.637 4.599 3.960 0.002 0.000 0.323 784 G C -1.317 173.179 174.900 -0.674 0.000 1.198 784 G CA -0.396 44.429 45.100 -0.459 0.000 0.959 784 G HN 0.571 nan 8.290 nan 0.000 0.482 785 Y N -0.723 119.611 120.300 0.055 0.000 2.609 785 Y HA 0.757 5.308 4.550 0.002 0.000 0.342 785 Y C 0.329 176.295 175.900 0.110 0.000 1.058 785 Y CA -0.806 57.377 58.100 0.138 0.000 1.055 785 Y CB 2.576 41.137 38.460 0.167 0.000 1.292 785 Y HN 0.843 nan 8.280 nan 0.000 0.476 786 A N 0.674 123.698 122.820 0.339 0.000 2.572 786 A HA 0.883 5.204 4.320 0.002 0.000 0.295 786 A C -1.997 175.737 177.584 0.250 0.000 1.072 786 A CA -0.722 51.451 52.037 0.227 0.000 0.691 786 A CB 1.643 20.726 19.000 0.138 0.000 1.291 786 A HN 0.500 nan 8.150 nan 0.000 0.404 787 V N 0.843 120.821 119.914 0.107 0.000 2.925 787 V HA 0.591 4.712 4.120 0.002 0.000 0.311 787 V C -0.610 175.414 176.094 -0.116 0.000 1.104 787 V CA -0.434 61.824 62.300 -0.071 0.000 0.954 787 V CB 2.089 33.808 31.823 -0.175 0.000 1.022 787 V HN 1.037 nan 8.190 nan 0.000 0.427 788 Q N 4.689 124.326 119.800 -0.272 0.000 2.333 788 Q HA 0.808 5.149 4.340 0.002 0.000 0.267 788 Q C -0.855 174.835 176.000 -0.517 0.000 1.012 788 Q CA -0.604 55.009 55.803 -0.317 0.000 0.824 788 Q CB 1.818 30.382 28.738 -0.289 0.000 1.290 788 Q HN 0.824 nan 8.270 nan 0.000 0.449 789 M N 0.665 120.130 119.600 -0.224 0.000 2.755 789 M HA 0.813 5.294 4.480 0.002 0.000 0.298 789 M C -0.961 175.426 176.300 0.144 0.000 1.251 789 M CA -0.974 54.289 55.300 -0.061 0.000 0.817 789 M CB 2.119 34.702 32.600 -0.029 0.000 1.760 789 M HN 0.617 nan 8.290 nan 0.000 0.473 790 S N -0.300 115.503 115.700 0.172 0.000 2.579 790 S HA 0.662 5.133 4.470 0.002 0.000 0.272 790 S C -0.971 173.678 174.600 0.082 0.000 1.141 790 S CA -0.847 57.428 58.200 0.124 0.000 0.843 790 S CB 1.791 65.050 63.200 0.099 0.000 1.122 790 S HN 0.601 nan 8.310 nan 0.000 0.468 791 V N 2.387 122.334 119.914 0.054 0.000 2.338 791 V HA 0.277 4.398 4.120 0.002 0.000 0.255 791 V C 1.470 177.584 176.094 0.033 0.000 1.082 791 V CA -0.035 62.292 62.300 0.045 0.000 0.951 791 V CB -0.044 31.799 31.823 0.034 0.000 1.102 791 V HN 1.090 nan 8.190 nan 0.000 0.489 792 E N 3.450 123.672 120.200 0.037 0.000 2.208 792 E HA -0.038 4.314 4.350 0.002 0.000 0.193 792 E C 0.266 176.879 176.600 0.022 0.000 0.988 792 E CA 0.715 57.130 56.400 0.026 0.000 0.828 792 E CB 0.459 30.176 29.700 0.029 0.000 0.763 792 E HN 0.795 nan 8.360 nan 0.000 0.478 793 E N 0.109 120.326 120.200 0.027 0.000 2.263 793 E HA 0.238 4.589 4.350 0.002 0.000 0.268 793 E C -1.302 175.316 176.600 0.029 0.000 0.884 793 E CA -0.477 55.939 56.400 0.026 0.000 0.766 793 E CB 2.091 31.810 29.700 0.032 0.000 1.196 793 E HN -0.098 nan 8.360 nan 0.000 0.416 794 S N 2.249 117.962 115.700 0.021 0.000 2.593 794 S HA -0.030 4.441 4.470 0.002 0.000 0.300 794 S C 0.824 175.439 174.600 0.025 0.000 1.267 794 S CA 0.090 58.301 58.200 0.019 0.000 1.065 794 S CB 0.125 63.331 63.200 0.011 0.000 0.807 794 S HN 0.405 nan 8.310 nan 0.000 0.499 795 L N 3.508 124.746 121.223 0.026 0.000 2.862 795 L HA 0.063 4.404 4.340 0.002 0.000 0.240 795 L C 2.103 178.981 176.870 0.013 0.000 1.283 795 L CA -0.178 54.681 54.840 0.031 0.000 1.117 795 L CB -1.304 40.775 42.059 0.034 0.000 1.444 795 L HN 0.849 nan 8.230 nan 0.000 0.456 796 T N -4.766 109.791 114.554 0.005 0.000 2.833 796 T HA -0.171 4.180 4.350 0.002 0.000 0.269 796 T C 1.178 175.864 174.700 -0.024 0.000 1.054 796 T CA 1.237 63.333 62.100 -0.008 0.000 1.135 796 T CB -0.031 68.833 68.868 -0.008 0.000 0.869 796 T HN 0.279 nan 8.240 nan 0.000 0.466 797 D N 2.074 122.453 120.400 -0.035 0.000 2.088 797 D HA 0.011 4.652 4.640 0.002 0.000 0.196 797 D C 1.479 177.721 176.300 -0.097 0.000 0.983 797 D CA 1.869 55.817 54.000 -0.086 0.000 0.846 797 D CB -0.698 40.019 40.800 -0.138 0.000 0.992 797 D HN 0.661 nan 8.370 nan 0.000 0.448 798 T N -1.882 112.625 114.554 -0.079 0.000 2.816 798 T HA 0.277 4.628 4.350 0.002 0.000 0.282 798 T C 0.613 175.304 174.700 -0.015 0.000 0.993 798 T CA -0.476 61.594 62.100 -0.050 0.000 0.994 798 T CB 1.279 70.164 68.868 0.029 0.000 1.025 798 T HN 0.049 nan 8.240 nan 0.000 0.529 799 Q N -0.346 119.450 119.800 -0.008 0.000 2.164 799 Q HA 0.400 4.741 4.340 0.002 0.000 0.226 799 Q C -0.388 175.613 176.000 0.001 0.000 0.813 799 Q CA -0.006 55.796 55.803 -0.002 0.000 0.978 799 Q CB 0.707 29.443 28.738 -0.004 0.000 1.149 799 Q HN 0.527 nan 8.270 nan 0.000 0.489 800 L N 1.034 122.259 121.223 0.004 0.000 2.434 800 L HA 0.631 4.972 4.340 0.002 0.000 0.260 800 L C -0.757 176.094 176.870 -0.031 0.000 0.983 800 L CA -1.297 53.533 54.840 -0.017 0.000 0.820 800 L CB 2.379 44.431 42.059 -0.012 0.000 1.361 800 L HN -0.213 nan 8.230 nan 0.000 0.410 801 V N -1.483 118.364 119.914 -0.111 0.000 2.876 801 V HA 0.778 4.899 4.120 0.002 0.000 0.312 801 V C -0.409 175.424 176.094 -0.436 0.000 1.085 801 V CA -0.426 61.732 62.300 -0.237 0.000 0.945 801 V CB 1.823 33.494 31.823 -0.253 0.000 1.017 801 V HN 0.719 nan 8.190 nan 0.000 0.428 802 S N 1.956 117.326 115.700 -0.552 0.000 2.638 802 S HA 0.935 5.406 4.470 0.002 0.000 0.302 802 S C -1.318 172.748 174.600 -0.891 0.000 1.096 802 S CA -0.314 57.560 58.200 -0.544 0.000 0.953 802 S CB 1.521 64.626 63.200 -0.159 0.000 1.107 802 S HN 0.634 nan 8.310 nan 0.000 0.503 803 F N 1.365 121.303 119.950 -0.020 0.000 2.557 803 F HA 0.526 5.054 4.527 0.002 0.000 0.316 803 F C 0.025 175.978 175.800 0.256 0.000 1.141 803 F CA -0.544 57.488 58.000 0.053 0.000 0.922 803 F CB 1.810 40.718 39.000 -0.154 0.000 1.194 803 F HN 0.382 nan 8.300 nan 0.000 0.443 804 Q N 2.278 122.359 119.800 0.469 0.000 2.274 804 Q HA 0.580 4.921 4.340 0.002 0.000 0.268 804 Q C -1.429 174.794 176.000 0.373 0.000 1.015 804 Q CA -0.633 55.443 55.803 0.455 0.000 0.775 804 Q CB 2.089 31.021 28.738 0.324 0.000 1.256 804 Q HN 0.768 nan 8.270 nan 0.000 0.442 805 S N 1.564 117.448 115.700 0.308 0.000 2.451 805 S HA 0.880 5.351 4.470 0.002 0.000 0.301 805 S C -0.633 174.012 174.600 0.075 0.000 1.116 805 S CA -0.750 57.515 58.200 0.109 0.000 1.093 805 S CB 1.861 64.999 63.200 -0.104 0.000 1.017 805 S HN 0.617 nan 8.310 nan 0.000 0.482 806 A N 2.931 125.779 122.820 0.047 0.000 2.319 806 A HA 0.681 5.002 4.320 0.002 0.000 0.310 806 A C -0.958 176.620 177.584 -0.011 0.000 1.152 806 A CA -0.685 51.346 52.037 -0.010 0.000 0.783 806 A CB 0.772 19.831 19.000 0.098 0.000 1.184 806 A HN 0.859 nan 8.150 nan 0.000 0.474 807 L N 3.947 125.163 121.223 -0.012 0.000 2.277 807 L HA 0.573 4.914 4.340 0.002 0.000 0.284 807 L C -0.971 175.979 176.870 0.135 0.000 1.028 807 L CA -0.835 54.012 54.840 0.011 0.000 0.835 807 L CB 0.925 42.966 42.059 -0.030 0.000 1.215 807 L HN 0.624 nan 8.230 nan 0.000 0.425 808 L N 7.680 128.973 121.223 0.118 0.000 2.257 808 L HA 0.595 4.936 4.340 0.002 0.000 0.290 808 L C -0.960 176.026 176.870 0.193 0.000 1.044 808 L CA -0.028 54.903 54.840 0.152 0.000 0.810 808 L CB 0.439 42.568 42.059 0.117 0.000 1.193 808 L HN 0.644 nan 8.230 nan 0.000 0.425 809 Y N 0.941 121.244 120.300 0.005 0.000 2.705 809 Y HA 0.751 5.302 4.550 0.002 0.000 0.332 809 Y C -0.957 174.978 175.900 0.059 0.000 1.221 809 Y CA -1.137 56.960 58.100 -0.004 0.000 1.059 809 Y CB 1.062 39.452 38.460 -0.117 0.000 1.298 809 Y HN 0.333 nan 8.280 nan 0.000 0.459 810 T N 2.518 117.119 114.554 0.079 0.000 2.771 810 T HA 0.437 4.788 4.350 0.002 0.000 0.281 810 T C -0.159 174.689 174.700 0.247 0.000 0.982 810 T CA -0.593 61.539 62.100 0.053 0.000 0.978 810 T CB 0.819 69.775 68.868 0.146 0.000 0.930 810 T HN 0.855 nan 8.240 nan 0.000 0.447 811 S N 2.136 117.906 115.700 0.117 0.000 2.617 811 S HA 0.141 4.612 4.470 0.002 0.000 0.259 811 S C 1.732 176.549 174.600 0.362 0.000 1.301 811 S CA -0.166 58.229 58.200 0.325 0.000 0.984 811 S CB 0.551 63.874 63.200 0.204 0.000 0.954 811 S HN 0.725 nan 8.310 nan 0.000 0.572 812 S N -0.178 115.745 115.700 0.371 0.000 2.555 812 S HA 0.033 4.504 4.470 0.002 0.000 0.230 812 S C 0.993 175.723 174.600 0.217 0.000 0.978 812 S CA 0.369 58.797 58.200 0.380 0.000 0.934 812 S CB -0.517 62.894 63.200 0.352 0.000 0.766 812 S HN 0.749 nan 8.310 nan 0.000 0.533 813 K N 0.561 121.059 120.400 0.164 0.000 2.372 813 K HA 0.314 4.635 4.320 0.002 0.000 0.200 813 K C 1.004 177.642 176.600 0.065 0.000 1.022 813 K CA 0.299 56.645 56.287 0.098 0.000 1.125 813 K CB 0.229 32.778 32.500 0.081 0.000 0.855 813 K HN 0.472 nan 8.250 nan 0.000 0.524 814 G N 2.078 110.921 108.800 0.072 0.000 2.136 814 G HA2 -0.266 3.696 3.960 0.002 0.000 0.242 814 G HA3 -0.266 3.696 3.960 0.002 0.000 0.242 814 G C -0.524 174.385 174.900 0.015 0.000 0.989 814 G CA -0.079 45.041 45.100 0.032 0.000 0.682 814 G HN 0.383 nan 8.290 nan 0.000 0.522 815 E N 0.305 120.511 120.200 0.011 0.000 2.151 815 E HA 0.441 4.793 4.350 0.002 0.000 0.275 815 E C 0.338 176.884 176.600 -0.090 0.000 0.936 815 E CA -1.046 55.338 56.400 -0.028 0.000 0.777 815 E CB 0.976 30.664 29.700 -0.020 0.000 1.108 815 E HN 0.008 nan 8.360 nan 0.000 0.401 816 R N 3.316 123.765 120.500 -0.084 0.000 2.421 816 R HA 0.210 4.551 4.340 0.002 0.000 0.305 816 R C -0.099 176.093 176.300 -0.179 0.000 1.039 816 R CA 0.330 56.356 56.100 -0.123 0.000 1.003 816 R CB 0.096 30.369 30.300 -0.045 0.000 0.959 816 R HN 0.523 nan 8.270 nan 0.000 0.427 817 R N 3.147 123.433 120.500 -0.356 0.000 2.888 817 R HA 0.590 4.932 4.340 0.002 0.000 0.266 817 R C -0.346 175.862 176.300 -0.153 0.000 1.020 817 R CA -1.071 54.853 56.100 -0.293 0.000 0.963 817 R CB 1.848 31.890 30.300 -0.430 0.000 1.197 817 R HN 0.425 nan 8.270 nan 0.000 0.481 818 I N 1.386 121.983 120.570 0.045 0.000 2.468 818 I HA 0.372 4.543 4.170 0.002 0.000 0.284 818 I C -0.320 175.877 176.117 0.133 0.000 1.038 818 I CA -0.554 60.822 61.300 0.126 0.000 1.083 818 I CB 2.114 40.197 38.000 0.138 0.000 1.223 818 I HN 0.284 nan 8.210 nan 0.000 0.443 819 R N 5.835 126.417 120.500 0.136 0.000 2.294 819 R HA 0.774 5.115 4.340 0.002 0.000 0.319 819 R C -1.553 174.640 176.300 -0.177 0.000 0.984 819 R CA -0.414 55.693 56.100 0.011 0.000 0.861 819 R CB 1.440 31.808 30.300 0.114 0.000 1.104 819 R HN 0.463 nan 8.270 nan 0.000 0.451 820 V N 4.633 124.377 119.914 -0.284 0.000 2.604 820 V HA 0.425 4.546 4.120 0.002 0.000 0.305 820 V C -0.631 175.242 176.094 -0.367 0.000 1.043 820 V CA -0.847 61.285 62.300 -0.280 0.000 0.888 820 V CB 1.872 33.594 31.823 -0.168 0.000 0.995 820 V HN 0.801 nan 8.190 nan 0.000 0.429 821 H N 1.686 120.835 119.070 0.131 0.000 2.589 821 H HA 0.609 5.167 4.556 0.002 0.000 0.351 821 H C -0.796 174.765 175.328 0.389 0.000 1.074 821 H CA -0.443 55.747 56.048 0.237 0.000 1.203 821 H CB 2.396 32.291 29.762 0.222 0.000 1.558 821 H HN 0.582 nan 8.280 nan 0.000 0.522 822 T N 3.372 118.232 114.554 0.509 0.000 2.861 822 T HA 0.362 4.713 4.350 0.002 0.000 0.287 822 T C -0.504 174.461 174.700 0.440 0.000 1.003 822 T CA -0.667 61.730 62.100 0.495 0.000 0.977 822 T CB 1.727 70.875 68.868 0.467 0.000 0.996 822 T HN 0.244 nan 8.240 nan 0.000 0.448 823 L N 2.545 123.882 121.223 0.190 0.000 2.365 823 L HA 0.824 5.166 4.340 0.002 0.000 0.273 823 L C -1.067 175.658 176.870 -0.241 0.000 1.000 823 L CA -0.562 54.226 54.840 -0.087 0.000 0.819 823 L CB 1.558 43.374 42.059 -0.405 0.000 1.284 823 L HN 0.877 nan 8.230 nan 0.000 0.418 824 C N 6.153 125.137 119.300 -0.527 0.000 2.408 824 C HA 0.821 5.283 4.460 0.002 0.000 0.321 824 C C -0.807 174.001 174.990 -0.304 0.000 1.245 824 C CA -0.709 57.942 59.018 -0.612 0.000 1.523 824 C CB 0.060 27.015 27.740 -1.309 0.000 2.178 824 C HN 0.855 nan 8.230 nan 0.000 0.488 825 L N 6.967 128.095 121.223 -0.159 0.000 2.376 825 L HA 0.671 5.013 4.340 0.002 0.000 0.258 825 L C -2.230 174.615 176.870 -0.041 0.000 1.013 825 L CA -1.687 53.119 54.840 -0.056 0.000 0.822 825 L CB 2.777 44.869 42.059 0.054 0.000 1.388 825 L HN 0.480 nan 8.230 nan 0.000 0.413 826 P HA 0.219 nan 4.420 nan 0.000 0.281 826 P C -1.093 176.210 177.300 0.006 0.000 1.249 826 P CA -0.382 62.715 63.100 -0.005 0.000 0.810 826 P CB 1.893 33.596 31.700 0.004 0.000 1.008 827 V N 3.043 122.961 119.914 0.006 0.000 2.427 827 V HA 0.354 4.475 4.120 0.002 0.000 0.286 827 V C 0.709 176.808 176.094 0.008 0.000 1.034 827 V CA -0.543 61.763 62.300 0.010 0.000 0.893 827 V CB 1.458 33.287 31.823 0.010 0.000 0.982 827 V HN 0.470 nan 8.190 nan 0.000 0.452 828 V N 2.046 121.964 119.914 0.006 0.000 2.960 828 V HA 0.765 4.886 4.120 0.002 0.000 0.315 828 V C 0.430 176.526 176.094 0.002 0.000 1.087 828 V CA -0.021 62.282 62.300 0.006 0.000 0.982 828 V CB 1.994 33.821 31.823 0.006 0.000 1.039 828 V HN 0.833 nan 8.190 nan 0.000 0.437 829 S N -0.305 115.399 115.700 0.006 0.000 2.603 829 S HA 0.264 4.735 4.470 0.002 0.000 0.232 829 S C 0.673 175.277 174.600 0.008 0.000 1.016 829 S CA 0.335 58.538 58.200 0.005 0.000 0.976 829 S CB -0.291 62.912 63.200 0.006 0.000 0.921 829 S HN 1.454 nan 8.310 nan 0.000 0.516 830 T N -1.250 113.312 114.554 0.014 0.000 2.912 830 T HA 0.618 4.969 4.350 0.002 0.000 0.288 830 T C 0.846 175.564 174.700 0.031 0.000 1.030 830 T CA -0.912 61.205 62.100 0.028 0.000 1.020 830 T CB 1.280 70.174 68.868 0.042 0.000 1.056 830 T HN 0.039 nan 8.240 nan 0.000 0.480 831 L N 1.470 122.725 121.223 0.054 0.000 2.083 831 L HA -0.090 4.251 4.340 0.002 0.000 0.209 831 L C 2.934 179.916 176.870 0.187 0.000 1.083 831 L CA 1.375 56.259 54.840 0.072 0.000 0.752 831 L CB -0.400 41.755 42.059 0.160 0.000 0.899 831 L HN 0.846 nan 8.230 nan 0.000 0.433 832 N N -0.141 118.697 118.700 0.230 0.000 2.166 832 N HA -0.215 4.527 4.740 0.002 0.000 0.186 832 N C 1.233 176.874 175.510 0.217 0.000 1.019 832 N CA 1.491 54.720 53.050 0.298 0.000 0.856 832 N CB 0.068 38.671 38.487 0.193 0.000 0.993 832 N HN 0.337 nan 8.380 nan 0.000 0.426 833 D N 0.370 120.839 120.400 0.115 0.000 2.178 833 D HA -0.082 4.559 4.640 0.002 0.000 0.202 833 D C 2.067 178.390 176.300 0.038 0.000 0.974 833 D CA 0.509 54.552 54.000 0.072 0.000 0.841 833 D CB -0.074 40.751 40.800 0.041 0.000 0.953 833 D HN 0.127 nan 8.370 nan 0.000 0.478 834 V N 0.518 120.419 119.914 -0.021 0.000 2.358 834 V HA -0.211 3.910 4.120 0.002 0.000 0.246 834 V C 2.178 178.194 176.094 -0.130 0.000 1.047 834 V CA 1.304 63.525 62.300 -0.131 0.000 1.035 834 V CB -0.628 31.027 31.823 -0.280 0.000 0.658 834 V HN 0.105 nan 8.190 nan 0.000 0.452 835 F N -0.348 119.614 119.950 0.020 0.000 2.146 835 F HA -0.105 4.423 4.527 0.002 0.000 0.298 835 F C 2.216 178.006 175.800 -0.018 0.000 1.096 835 F CA 1.238 59.231 58.000 -0.012 0.000 1.275 835 F CB -0.356 38.656 39.000 0.019 0.000 1.008 835 F HN 0.045 nan 8.300 nan 0.000 0.480 836 L N -0.563 120.787 121.223 0.211 0.000 2.079 836 L HA -0.198 4.144 4.340 0.002 0.000 0.210 836 L C 2.420 179.341 176.870 0.084 0.000 1.081 836 L CA 1.481 56.402 54.840 0.135 0.000 0.752 836 L CB -1.177 40.950 42.059 0.113 0.000 0.896 836 L HN 0.254 nan 8.230 nan 0.000 0.433 837 G N -0.762 108.068 108.800 0.051 0.000 3.042 837 G HA2 0.302 4.264 3.960 0.002 0.000 0.212 837 G HA3 0.302 4.264 3.960 0.002 0.000 0.212 837 G C 0.676 175.570 174.900 -0.011 0.000 1.166 837 G CA 0.283 45.393 45.100 0.018 0.000 0.767 837 G HN 0.333 nan 8.290 nan 0.000 0.546 838 A N 0.744 123.555 122.820 -0.015 0.000 2.540 838 A HA 0.314 4.635 4.320 0.002 0.000 0.239 838 A C -0.111 177.431 177.584 -0.069 0.000 1.061 838 A CA 0.095 52.095 52.037 -0.063 0.000 0.758 838 A CB 0.289 19.250 19.000 -0.065 0.000 0.991 838 A HN 0.159 nan 8.150 nan 0.000 0.502 839 D N 3.248 123.594 120.400 -0.090 0.000 2.473 839 D HA 0.178 4.819 4.640 0.002 0.000 0.226 839 D C 1.054 177.298 176.300 -0.093 0.000 1.089 839 D CA -0.276 53.681 54.000 -0.071 0.000 0.883 839 D CB 1.239 42.002 40.800 -0.062 0.000 1.029 839 D HN 0.206 nan 8.370 nan 0.000 0.517 840 V N 4.456 124.321 119.914 -0.082 0.000 2.380 840 V HA -0.285 3.837 4.120 0.002 0.000 0.251 840 V C 2.051 178.183 176.094 0.064 0.000 1.063 840 V CA 2.063 64.328 62.300 -0.060 0.000 1.055 840 V CB -0.034 31.787 31.823 -0.004 0.000 0.657 840 V HN 0.579 nan 8.190 nan 0.000 0.455 841 Q N -0.681 119.153 119.800 0.057 0.000 2.083 841 Q HA -0.086 4.255 4.340 0.002 0.000 0.198 841 Q C 2.387 178.354 176.000 -0.055 0.000 0.969 841 Q CA 1.598 57.388 55.803 -0.022 0.000 0.838 841 Q CB -0.376 28.315 28.738 -0.079 0.000 0.900 841 Q HN 0.745 nan 8.270 nan 0.000 0.436 842 A N 0.967 123.754 122.820 -0.055 0.000 1.902 842 A HA -0.173 4.148 4.320 0.002 0.000 0.217 842 A C 2.024 179.570 177.584 -0.064 0.000 1.181 842 A CA 1.123 53.122 52.037 -0.062 0.000 0.623 842 A CB -0.625 18.336 19.000 -0.064 0.000 0.818 842 A HN 0.299 nan 8.150 nan 0.000 0.443 843 I N -0.302 120.221 120.570 -0.079 0.000 2.226 843 I HA -0.220 3.951 4.170 0.002 0.000 0.245 843 I C 2.618 178.733 176.117 -0.003 0.000 1.100 843 I CA 1.417 62.665 61.300 -0.087 0.000 1.374 843 I CB -0.215 37.650 38.000 -0.225 0.000 1.057 843 I HN 0.222 nan 8.210 nan 0.000 0.413 844 S N 0.596 116.323 115.700 0.045 0.000 2.383 844 S HA -0.101 4.371 4.470 0.002 0.000 0.227 844 S C 2.096 176.706 174.600 0.018 0.000 1.026 844 S CA 1.293 59.556 58.200 0.106 0.000 0.981 844 S CB -0.575 62.702 63.200 0.129 0.000 0.818 844 S HN 0.644 nan 8.310 nan 0.000 0.472 845 G N 1.671 110.451 108.800 -0.034 0.000 2.404 845 G HA2 -0.148 3.813 3.960 0.002 0.000 0.215 845 G HA3 -0.148 3.813 3.960 0.002 0.000 0.215 845 G C 1.371 176.227 174.900 -0.074 0.000 1.174 845 G CA 0.783 45.847 45.100 -0.061 0.000 0.780 845 G HN 0.429 nan 8.290 nan 0.000 0.537 846 L N 0.544 121.723 121.223 -0.072 0.000 2.083 846 L HA 0.149 4.490 4.340 0.002 0.000 0.209 846 L C 2.618 179.421 176.870 -0.112 0.000 1.083 846 L CA 1.248 56.023 54.840 -0.109 0.000 0.752 846 L CB -0.460 41.554 42.059 -0.074 0.000 0.899 846 L HN 0.203 nan 8.230 nan 0.000 0.433 847 L N -0.780 120.418 121.223 -0.042 0.000 2.093 847 L HA -0.151 4.191 4.340 0.002 0.000 0.208 847 L C 2.657 179.493 176.870 -0.056 0.000 1.085 847 L CA 1.059 55.884 54.840 -0.025 0.000 0.755 847 L CB -0.888 41.198 42.059 0.046 0.000 0.904 847 L HN 0.369 nan 8.230 nan 0.000 0.435 848 A N 0.118 122.924 122.820 -0.024 0.000 1.902 848 A HA -0.224 4.097 4.320 0.002 0.000 0.217 848 A C 2.098 179.708 177.584 0.042 0.000 1.181 848 A CA 1.850 53.925 52.037 0.064 0.000 0.623 848 A CB -0.635 18.417 19.000 0.088 0.000 0.818 848 A HN 0.458 nan 8.150 nan 0.000 0.443 849 N N -0.651 117.980 118.700 -0.116 0.000 2.120 849 N HA -0.128 4.614 4.740 0.002 0.000 0.188 849 N C 1.850 177.217 175.510 -0.239 0.000 1.024 849 N CA 1.775 54.671 53.050 -0.257 0.000 0.852 849 N CB -0.261 37.878 38.487 -0.580 0.000 1.003 849 N HN 0.527 nan 8.380 nan 0.000 0.424 850 M N 0.651 120.118 119.600 -0.221 0.000 2.159 850 M HA -0.089 4.392 4.480 0.002 0.000 0.263 850 M C 2.321 178.634 176.300 0.022 0.000 1.063 850 M CA 1.252 56.529 55.300 -0.039 0.000 1.110 850 M CB -0.153 32.437 32.600 -0.017 0.000 1.374 850 M HN 0.122 nan 8.290 nan 0.000 0.411 851 A N -0.464 122.346 122.820 -0.015 0.000 1.969 851 A HA -0.067 4.254 4.320 0.002 0.000 0.218 851 A C 2.227 179.918 177.584 0.179 0.000 1.169 851 A CA 1.272 53.284 52.037 -0.041 0.000 0.635 851 A CB -0.818 17.939 19.000 -0.406 0.000 0.810 851 A HN 0.292 nan 8.150 nan 0.000 0.445 852 V N 0.438 120.499 119.914 0.245 0.000 2.358 852 V HA -0.209 3.912 4.120 0.002 0.000 0.246 852 V C 2.122 178.295 176.094 0.132 0.000 1.047 852 V CA 2.271 64.696 62.300 0.207 0.000 1.035 852 V CB -0.692 31.184 31.823 0.089 0.000 0.658 852 V HN 0.476 nan 8.190 nan 0.000 0.452 853 D N -0.211 120.266 120.400 0.128 0.000 2.117 853 D HA -0.163 4.478 4.640 0.002 0.000 0.198 853 D C 2.306 178.669 176.300 0.106 0.000 0.982 853 D CA 1.092 55.169 54.000 0.128 0.000 0.828 853 D CB -0.268 40.641 40.800 0.183 0.000 0.967 853 D HN 0.218 nan 8.370 nan 0.000 0.464 854 R N 0.839 121.397 120.500 0.097 0.000 2.096 854 R HA -0.017 4.324 4.340 0.002 0.000 0.235 854 R C 1.960 178.305 176.300 0.075 0.000 1.127 854 R CA 1.378 57.521 56.100 0.073 0.000 0.968 854 R CB -0.518 29.809 30.300 0.045 0.000 0.861 854 R HN -0.043 nan 8.270 nan 0.000 0.440 855 S N 0.070 115.831 115.700 0.102 0.000 2.368 855 S HA -0.081 4.390 4.470 0.002 0.000 0.225 855 S C 1.709 176.353 174.600 0.074 0.000 1.030 855 S CA 1.450 59.712 58.200 0.103 0.000 0.999 855 S CB -0.115 63.174 63.200 0.149 0.000 0.844 855 S HN 0.270 nan 8.310 nan 0.000 0.459 856 M N 0.795 120.438 119.600 0.072 0.000 2.288 856 M HA 0.052 4.533 4.480 0.002 0.000 0.266 856 M C 2.145 178.481 176.300 0.061 0.000 1.072 856 M CA 1.145 56.481 55.300 0.061 0.000 1.132 856 M CB -1.824 30.814 32.600 0.063 0.000 1.386 856 M HN 0.206 nan 8.290 nan 0.000 0.432 857 T N 0.811 115.404 114.554 0.065 0.000 2.894 857 T HA 0.155 4.507 4.350 0.002 0.000 0.258 857 T C 1.645 176.374 174.700 0.048 0.000 1.043 857 T CA 1.432 63.568 62.100 0.059 0.000 1.141 857 T CB 0.253 69.160 68.868 0.065 0.000 0.873 857 T HN 0.437 nan 8.240 nan 0.000 0.449 858 A N 0.757 123.605 122.820 0.047 0.000 2.084 858 A HA 0.703 5.024 4.320 0.002 0.000 0.211 858 A C 0.650 178.256 177.584 0.038 0.000 2.280 858 A CA 0.616 52.676 52.037 0.038 0.000 1.128 858 A CB 0.166 19.187 19.000 0.034 0.000 1.248 858 A HN 0.559 nan 8.150 nan 0.000 0.624 859 S N -2.847 112.878 115.700 0.040 0.000 2.627 859 S HA 0.378 4.849 4.470 0.002 0.000 0.268 859 S C 0.154 174.786 174.600 0.052 0.000 1.130 859 S CA 0.098 58.323 58.200 0.042 0.000 0.819 859 S CB 0.366 63.584 63.200 0.031 0.000 1.100 859 S HN 1.135 nan 8.310 nan 0.000 0.465 860 L N 2.178 123.437 121.223 0.060 0.000 2.042 860 L HA 0.033 4.374 4.340 0.002 0.000 0.210 860 L C 2.404 179.309 176.870 0.059 0.000 1.076 860 L CA 2.764 57.655 54.840 0.086 0.000 0.749 860 L CB -1.384 40.723 42.059 0.080 0.000 0.893 860 L HN 0.846 nan 8.230 nan 0.000 0.432 861 S N -0.303 115.419 115.700 0.036 0.000 2.353 861 S HA -0.211 4.260 4.470 0.002 0.000 0.222 861 S C 1.656 176.261 174.600 0.009 0.000 1.035 861 S CA 1.503 59.715 58.200 0.020 0.000 1.025 861 S CB -0.581 62.629 63.200 0.016 0.000 0.902 861 S HN 0.553 nan 8.310 nan 0.000 0.440 862 D N 1.430 121.838 120.400 0.013 0.000 2.182 862 D HA -0.027 4.614 4.640 0.002 0.000 0.201 862 D C 2.092 178.385 176.300 -0.011 0.000 0.986 862 D CA 1.141 55.145 54.000 0.006 0.000 0.847 862 D CB -0.318 40.491 40.800 0.016 0.000 0.942 862 D HN 0.399 nan 8.370 nan 0.000 0.467 863 A N 1.135 123.948 122.820 -0.010 0.000 1.855 863 A HA -0.157 4.164 4.320 0.002 0.000 0.215 863 A C 2.207 179.697 177.584 -0.156 0.000 1.191 863 A CA 1.082 53.080 52.037 -0.066 0.000 0.613 863 A CB -0.412 18.584 19.000 -0.006 0.000 0.829 863 A HN 0.109 nan 8.150 nan 0.000 0.442 864 R N -0.261 120.171 120.500 -0.114 0.000 2.105 864 R HA -0.129 4.212 4.340 0.002 0.000 0.239 864 R C 1.595 177.841 176.300 -0.091 0.000 1.135 864 R CA 1.487 57.509 56.100 -0.130 0.000 0.967 864 R CB -0.393 29.878 30.300 -0.049 0.000 0.861 864 R HN 0.493 nan 8.270 nan 0.000 0.442 865 D N 0.573 120.942 120.400 -0.052 0.000 2.097 865 D HA -0.106 4.535 4.640 0.002 0.000 0.197 865 D C 1.837 178.118 176.300 -0.032 0.000 0.984 865 D CA 1.557 55.540 54.000 -0.027 0.000 0.826 865 D CB -0.312 40.482 40.800 -0.009 0.000 0.973 865 D HN 0.225 nan 8.370 nan 0.000 0.460 866 A N 0.607 123.401 122.820 -0.043 0.000 1.972 866 A HA -0.112 4.209 4.320 0.002 0.000 0.219 866 A C 2.375 179.928 177.584 -0.052 0.000 1.169 866 A CA 0.818 52.834 52.037 -0.036 0.000 0.635 866 A CB -0.663 18.318 19.000 -0.032 0.000 0.810 866 A HN 0.197 nan 8.150 nan 0.000 0.446 867 L N -0.786 120.376 121.223 -0.102 0.000 2.027 867 L HA -0.142 4.199 4.340 0.002 0.000 0.206 867 L C 2.516 179.348 176.870 -0.062 0.000 1.074 867 L CA 1.134 55.906 54.840 -0.114 0.000 0.745 867 L CB -0.528 41.401 42.059 -0.218 0.000 0.898 867 L HN 0.249 nan 8.230 nan 0.000 0.433 868 V N 0.088 119.984 119.914 -0.031 0.000 2.427 868 V HA -0.236 3.886 4.120 0.002 0.000 0.248 868 V C 2.086 178.162 176.094 -0.030 0.000 1.051 868 V CA 1.583 63.889 62.300 0.009 0.000 1.048 868 V CB -0.685 31.157 31.823 0.031 0.000 0.666 868 V HN 0.490 nan 8.190 nan 0.000 0.456 869 N N 0.562 119.252 118.700 -0.016 0.000 2.331 869 N HA -0.036 4.705 4.740 0.002 0.000 0.180 869 N C 1.839 177.353 175.510 0.006 0.000 1.019 869 N CA 1.377 54.425 53.050 -0.005 0.000 0.881 869 N CB -0.316 38.175 38.487 0.006 0.000 0.972 869 N HN 0.496 nan 8.380 nan 0.000 0.435 870 A N 0.510 123.336 122.820 0.010 0.000 1.930 870 A HA -0.038 4.284 4.320 0.002 0.000 0.217 870 A C 2.407 180.034 177.584 0.072 0.000 1.175 870 A CA 1.028 53.113 52.037 0.079 0.000 0.627 870 A CB -0.481 18.596 19.000 0.129 0.000 0.815 870 A HN 0.090 nan 8.150 nan 0.000 0.443 871 V N 0.466 120.291 119.914 -0.148 0.000 2.283 871 V HA -0.189 3.932 4.120 0.002 0.000 0.243 871 V C 2.439 178.466 176.094 -0.112 0.000 1.039 871 V CA 1.503 63.597 62.300 -0.342 0.000 1.016 871 V CB -0.625 30.889 31.823 -0.515 0.000 0.650 871 V HN 0.481 nan 8.190 nan 0.000 0.449 872 I N 0.577 121.088 120.570 -0.098 0.000 2.127 872 I HA -0.234 3.937 4.170 0.002 0.000 0.241 872 I C 2.361 178.482 176.117 0.007 0.000 1.075 872 I CA 1.907 63.170 61.300 -0.061 0.000 1.334 872 I CB -1.263 36.705 38.000 -0.054 0.000 1.040 872 I HN 0.348 nan 8.210 nan 0.000 0.405 873 D N 0.244 120.665 120.400 0.036 0.000 2.149 873 D HA -0.160 4.481 4.640 0.002 0.000 0.198 873 D C 2.369 178.750 176.300 0.133 0.000 0.990 873 D CA 1.461 55.504 54.000 0.072 0.000 0.839 873 D CB -0.123 40.720 40.800 0.071 0.000 0.948 873 D HN 0.183 nan 8.370 nan 0.000 0.460 874 S N -0.610 115.203 115.700 0.189 0.000 2.371 874 S HA 0.009 4.480 4.470 0.002 0.000 0.224 874 S C 2.036 176.807 174.600 0.284 0.000 1.029 874 S CA 0.365 58.749 58.200 0.306 0.000 0.978 874 S CB -0.125 63.330 63.200 0.424 0.000 0.833 874 S HN 0.156 nan 8.310 nan 0.000 0.466 875 L N 0.753 122.078 121.223 0.170 0.000 2.093 875 L HA -0.016 4.325 4.340 0.002 0.000 0.208 875 L C 2.797 179.737 176.870 0.117 0.000 1.085 875 L CA 1.240 56.145 54.840 0.108 0.000 0.755 875 L CB -0.766 41.313 42.059 0.032 0.000 0.904 875 L HN 0.361 nan 8.230 nan 0.000 0.435 876 S N 0.057 115.808 115.700 0.084 0.000 2.356 876 S HA -0.194 4.277 4.470 0.002 0.000 0.223 876 S C 2.170 176.823 174.600 0.088 0.000 1.032 876 S CA 1.365 59.598 58.200 0.056 0.000 1.005 876 S CB -0.080 63.139 63.200 0.033 0.000 0.867 876 S HN 0.439 nan 8.310 nan 0.000 0.449 877 A N 0.134 123.047 122.820 0.154 0.000 1.908 877 A HA -0.088 4.233 4.320 0.002 0.000 0.218 877 A C 2.028 179.746 177.584 0.223 0.000 1.181 877 A CA 1.832 53.988 52.037 0.197 0.000 0.627 877 A CB -1.205 17.961 19.000 0.276 0.000 0.818 877 A HN 0.742 nan 8.150 nan 0.000 0.445 878 Y N 0.485 120.820 120.300 0.059 0.000 2.097 878 Y HA -0.247 4.304 4.550 0.002 0.000 0.282 878 Y C 2.536 178.370 175.900 -0.109 0.000 1.152 878 Y CA 2.263 60.243 58.100 -0.200 0.000 1.136 878 Y CB -0.532 37.603 38.460 -0.543 0.000 0.975 878 Y HN 0.345 nan 8.280 nan 0.000 0.498 879 R N -0.316 120.127 120.500 -0.095 0.000 2.103 879 R HA -0.157 4.184 4.340 0.002 0.000 0.242 879 R C 2.011 178.222 176.300 -0.148 0.000 1.142 879 R CA 1.894 57.899 56.100 -0.158 0.000 0.960 879 R CB -0.568 29.703 30.300 -0.049 0.000 0.858 879 R HN 0.294 nan 8.270 nan 0.000 0.439 880 S N -0.596 115.061 115.700 -0.072 0.000 2.595 880 S HA -0.030 4.441 4.470 0.002 0.000 0.235 880 S C 0.817 175.380 174.600 -0.062 0.000 0.974 880 S CA 0.832 59.002 58.200 -0.049 0.000 0.942 880 S CB 0.213 63.409 63.200 -0.007 0.000 0.766 880 S HN 0.275 nan 8.310 nan 0.000 0.536 881 S N 0.892 116.520 115.700 -0.121 0.000 2.901 881 S HA 0.440 4.911 4.470 0.002 0.000 0.248 881 S C -0.217 174.257 174.600 -0.209 0.000 1.021 881 S CA -0.450 57.684 58.200 -0.110 0.000 1.090 881 S CB -0.347 62.842 63.200 -0.019 0.000 1.039 881 S HN 0.293 nan 8.310 nan 0.000 0.514 889 G N 1.239 110.029 108.800 -0.017 0.000 2.504 889 G HA2 0.482 4.443 3.960 0.002 0.000 0.257 889 G HA3 0.482 4.443 3.960 0.002 0.000 0.257 889 G C -0.696 174.188 174.900 -0.027 0.000 1.451 889 G CA -0.217 44.872 45.100 -0.019 0.000 1.059 889 G HN 0.182 nan 8.290 nan 0.000 0.550 890 L N 1.098 122.304 121.223 -0.028 0.000 2.287 890 L HA 0.446 4.787 4.340 0.002 0.000 0.280 890 L C -0.135 176.734 176.870 -0.001 0.000 1.055 890 L CA -0.686 54.134 54.840 -0.035 0.000 0.863 890 L CB 0.516 42.532 42.059 -0.072 0.000 1.245 890 L HN 0.177 nan 8.230 nan 0.000 0.432 891 M N 5.814 125.432 119.600 0.029 0.000 2.216 891 M HA 0.594 5.075 4.480 0.002 0.000 0.356 891 M C -0.186 176.187 176.300 0.122 0.000 1.205 891 M CA -0.538 54.813 55.300 0.085 0.000 1.122 891 M CB 1.085 33.748 32.600 0.104 0.000 1.571 891 M HN 0.356 nan 8.290 nan 0.000 0.464 892 V N 1.237 121.176 119.914 0.042 0.000 3.048 892 V HA 0.789 4.910 4.120 0.002 0.000 0.303 892 V C -2.891 173.001 176.094 -0.337 0.000 1.214 892 V CA -1.801 60.352 62.300 -0.245 0.000 0.984 892 V CB 2.329 34.050 31.823 -0.171 0.000 1.054 892 V HN 0.714 nan 8.190 nan 0.000 0.430 893 P HA 0.181 nan 4.420 nan 0.000 0.272 893 P C 0.577 177.816 177.300 -0.101 0.000 1.230 893 P CA -0.077 62.806 63.100 -0.362 0.000 0.788 893 P CB 0.867 32.258 31.700 -0.514 0.000 0.949 894 F N 2.467 122.357 119.950 -0.100 0.000 2.091 894 F HA -0.272 4.257 4.527 0.002 0.000 0.299 894 F C 2.499 178.260 175.800 -0.065 0.000 1.103 894 F CA 2.830 60.794 58.000 -0.060 0.000 1.228 894 F CB -1.019 37.965 39.000 -0.026 0.000 0.984 894 F HN 0.365 nan 8.300 nan 0.000 0.477 895 S N -0.234 115.465 115.700 -0.001 0.000 2.440 895 S HA -0.193 4.278 4.470 0.002 0.000 0.240 895 S C 1.609 176.107 174.600 -0.169 0.000 1.014 895 S CA 1.615 59.766 58.200 -0.082 0.000 0.980 895 S CB -0.864 62.343 63.200 0.013 0.000 0.775 895 S HN 0.487 nan 8.310 nan 0.000 0.499 896 L N 1.402 122.519 121.223 -0.176 0.000 2.857 896 L HA 0.326 4.667 4.340 0.002 0.000 0.249 896 L C 2.298 179.096 176.870 -0.120 0.000 1.172 896 L CA -0.263 54.495 54.840 -0.137 0.000 0.980 896 L CB -0.026 41.976 42.059 -0.094 0.000 1.299 896 L HN 0.358 nan 8.230 nan 0.000 0.535 897 R N 0.867 121.234 120.500 -0.221 0.000 2.200 897 R HA -0.112 4.230 4.340 0.002 0.000 0.234 897 R C 1.195 177.380 176.300 -0.192 0.000 1.127 897 R CA 1.305 57.290 56.100 -0.192 0.000 0.989 897 R CB -0.336 29.804 30.300 -0.267 0.000 0.869 897 R HN 0.416 nan 8.270 nan 0.000 0.459 898 L N -0.248 120.798 121.223 -0.295 0.000 2.640 898 L HA 0.153 4.494 4.340 0.002 0.000 0.230 898 L C 1.708 178.330 176.870 -0.414 0.000 1.123 898 L CA -0.434 54.087 54.840 -0.530 0.000 0.900 898 L CB -0.264 41.234 42.059 -0.935 0.000 1.146 898 L HN -0.023 nan 8.230 nan 0.000 0.484 899 F N 3.015 122.804 119.950 -0.269 0.000 2.095 899 F HA -0.061 4.467 4.527 0.002 0.000 0.298 899 F C -0.490 175.318 175.800 0.012 0.000 1.104 899 F CA 1.001 58.944 58.000 -0.094 0.000 1.232 899 F CB -1.421 37.554 39.000 -0.042 0.000 0.987 899 F HN 0.059 nan 8.300 nan 0.000 0.475 900 P HA -0.138 nan 4.420 nan 0.000 0.217 900 P C 2.028 179.504 177.300 0.292 0.000 1.151 900 P CA 1.085 64.257 63.100 0.120 0.000 0.828 900 P CB -0.116 31.647 31.700 0.104 0.000 0.788 901 L N -1.300 120.043 121.223 0.201 0.000 2.017 901 L HA -0.084 4.258 4.340 0.002 0.000 0.208 901 L C 2.163 179.133 176.870 0.168 0.000 1.073 901 L CA 1.829 56.734 54.840 0.109 0.000 0.745 901 L CB -1.324 40.573 42.059 -0.270 0.000 0.894 901 L HN -0.090 nan 8.230 nan 0.000 0.432 902 F N -1.917 118.072 119.950 0.064 0.000 2.259 902 F HA -0.164 4.364 4.527 0.002 0.000 0.298 902 F C 2.278 178.102 175.800 0.040 0.000 1.088 902 F CA 0.597 58.626 58.000 0.049 0.000 1.358 902 F CB -0.202 38.835 39.000 0.062 0.000 1.040 902 F HN -0.081 nan 8.300 nan 0.000 0.505 903 V N 0.137 120.176 119.914 0.208 0.000 2.427 903 V HA -0.271 3.850 4.120 0.002 0.000 0.248 903 V C 2.180 178.225 176.094 -0.082 0.000 1.051 903 V CA 1.245 63.577 62.300 0.054 0.000 1.048 903 V CB -0.493 31.305 31.823 -0.041 0.000 0.666 903 V HN 0.253 nan 8.190 nan 0.000 0.456 904 L N 1.032 122.143 121.223 -0.185 0.000 2.046 904 L HA -0.086 4.256 4.340 0.002 0.000 0.208 904 L C 2.446 179.202 176.870 -0.190 0.000 1.077 904 L CA 2.334 56.885 54.840 -0.481 0.000 0.747 904 L CB -0.925 40.831 42.059 -0.506 0.000 0.896 904 L HN 0.221 nan 8.230 nan 0.000 0.432 905 A N -0.824 121.987 122.820 -0.014 0.000 1.902 905 A HA -0.182 4.139 4.320 0.002 0.000 0.217 905 A C 2.169 179.766 177.584 0.022 0.000 1.181 905 A CA 1.861 53.917 52.037 0.032 0.000 0.623 905 A CB -0.898 18.195 19.000 0.155 0.000 0.818 905 A HN 0.412 nan 8.150 nan 0.000 0.443 906 L N -0.337 120.915 121.223 0.048 0.000 2.042 906 L HA -0.113 4.229 4.340 0.002 0.000 0.210 906 L C 2.415 179.379 176.870 0.157 0.000 1.076 906 L CA 1.517 56.425 54.840 0.113 0.000 0.749 906 L CB -0.825 41.282 42.059 0.079 0.000 0.893 906 L HN 0.399 nan 8.230 nan 0.000 0.432 907 L N -1.236 119.988 121.223 0.001 0.000 2.275 907 L HA -0.189 4.153 4.340 0.002 0.000 0.215 907 L C 2.058 178.933 176.870 0.008 0.000 1.119 907 L CA 0.992 55.823 54.840 -0.015 0.000 0.790 907 L CB -0.349 41.609 42.059 -0.169 0.000 0.919 907 L HN 0.239 nan 8.230 nan 0.000 0.443 908 K N -0.531 119.853 120.400 -0.026 0.000 2.367 908 K HA 0.028 4.349 4.320 0.002 0.000 0.194 908 K C 0.840 177.429 176.600 -0.019 0.000 1.027 908 K CA -0.173 56.094 56.287 -0.033 0.000 1.075 908 K CB 0.338 32.797 32.500 -0.068 0.000 0.845 908 K HN 0.286 nan 8.250 nan 0.000 0.529 909 Q N 1.663 121.466 119.800 0.006 0.000 2.584 909 Q HA -0.059 4.283 4.340 0.002 0.000 0.235 909 Q C 0.774 176.734 176.000 -0.066 0.000 1.079 909 Q CA 0.473 56.257 55.803 -0.032 0.000 0.977 909 Q CB 0.814 29.538 28.738 -0.023 0.000 1.293 909 Q HN -0.070 nan 8.270 nan 0.000 0.553 910 K N 0.487 120.828 120.400 -0.099 0.000 2.362 910 K HA -0.076 4.246 4.320 0.002 0.000 0.200 910 K C 1.734 178.219 176.600 -0.190 0.000 1.046 910 K CA 1.254 57.480 56.287 -0.102 0.000 0.952 910 K CB 0.187 32.648 32.500 -0.065 0.000 0.753 910 K HN 0.526 nan 8.250 nan 0.000 0.466 911 S N -0.142 115.344 115.700 -0.355 0.000 2.371 911 S HA -0.030 4.441 4.470 0.002 0.000 0.224 911 S C 0.992 175.153 174.600 -0.733 0.000 1.029 911 S CA 0.932 58.730 58.200 -0.671 0.000 0.978 911 S CB -0.042 62.483 63.200 -1.125 0.000 0.833 911 S HN 0.273 nan 8.310 nan 0.000 0.466 912 F N 1.535 121.455 119.950 -0.051 0.000 2.706 912 F HA 0.284 4.812 4.527 0.002 0.000 0.308 912 F C 0.940 176.714 175.800 -0.043 0.000 1.095 912 F CA -0.906 57.067 58.000 -0.045 0.000 1.244 912 F CB -0.486 38.484 39.000 -0.050 0.000 1.063 912 F HN 0.128 nan 8.300 nan 0.000 0.582 913 Q N 1.039 120.886 119.800 0.079 0.000 2.414 913 Q HA 0.147 4.488 4.340 0.002 0.000 0.288 913 Q C 0.619 176.641 176.000 0.036 0.000 1.086 913 Q CA 1.030 56.856 55.803 0.039 0.000 0.943 913 Q CB 0.785 29.527 28.738 0.006 0.000 1.282 913 Q HN 0.360 nan 8.270 nan 0.000 0.438 914 T N -1.639 112.931 114.554 0.026 0.000 3.286 914 T HA 0.187 4.538 4.350 0.002 0.000 0.237 914 T C 1.661 176.376 174.700 0.026 0.000 0.969 914 T CA 0.316 62.430 62.100 0.025 0.000 1.298 914 T CB -0.897 67.982 68.868 0.019 0.000 1.053 914 T HN 0.692 nan 8.240 nan 0.000 0.402 915 G N 2.110 110.926 108.800 0.027 0.000 2.653 915 G HA2 0.184 4.145 3.960 0.002 0.000 0.212 915 G HA3 0.184 4.145 3.960 0.002 0.000 0.212 915 G C 0.568 175.516 174.900 0.079 0.000 1.138 915 G CA 0.579 45.708 45.100 0.048 0.000 0.782 915 G HN 0.575 nan 8.290 nan 0.000 0.535 916 T N -0.385 114.202 114.554 0.055 0.000 2.770 916 T HA 0.153 4.504 4.350 0.002 0.000 0.281 916 T C 0.952 175.697 174.700 0.074 0.000 0.981 916 T CA -0.322 61.810 62.100 0.054 0.000 0.955 916 T CB 0.963 69.845 68.868 0.024 0.000 1.060 916 T HN 0.065 nan 8.240 nan 0.000 0.531 917 N N 0.072 118.806 118.700 0.057 0.000 2.276 917 N HA 0.317 5.058 4.740 0.002 0.000 0.212 917 N C 0.037 175.575 175.510 0.048 0.000 1.127 917 N CA -0.298 52.789 53.050 0.062 0.000 0.834 917 N CB -0.079 38.429 38.487 0.036 0.000 1.014 917 N HN 0.717 nan 8.380 nan 0.000 0.491 918 A N 0.667 123.511 122.820 0.040 0.000 2.531 918 A HA 0.129 4.450 4.320 0.002 0.000 0.236 918 A C 0.514 178.125 177.584 0.045 0.000 1.062 918 A CA 0.138 52.199 52.037 0.039 0.000 0.760 918 A CB 0.285 19.299 19.000 0.024 0.000 0.995 918 A HN 0.323 nan 8.150 nan 0.000 0.501 919 R N 1.438 121.975 120.500 0.061 0.000 2.543 919 R HA 0.268 4.610 4.340 0.002 0.000 0.268 919 R C 0.714 177.057 176.300 0.070 0.000 1.067 919 R CA -0.947 55.196 56.100 0.072 0.000 1.142 919 R CB 0.281 30.642 30.300 0.102 0.000 1.110 919 R HN 0.650 nan 8.270 nan 0.000 0.549 920 L N 1.584 122.857 121.223 0.084 0.000 1.978 920 L HA -0.274 4.067 4.340 0.002 0.000 0.218 920 L C 1.643 178.551 176.870 0.064 0.000 1.075 920 L CA 2.003 56.899 54.840 0.093 0.000 0.767 920 L CB -0.538 41.622 42.059 0.168 0.000 0.890 920 L HN 0.627 nan 8.230 nan 0.000 0.434 921 D N -0.949 119.490 120.400 0.066 0.000 2.218 921 D HA -0.164 4.477 4.640 0.002 0.000 0.204 921 D C 2.080 178.256 176.300 -0.207 0.000 0.976 921 D CA 0.867 54.785 54.000 -0.136 0.000 0.853 921 D CB 0.001 40.664 40.800 -0.229 0.000 0.939 921 D HN 0.519 nan 8.370 nan 0.000 0.481 922 E N 0.590 120.787 120.200 -0.005 0.000 2.051 922 E HA -0.171 4.180 4.350 0.002 0.000 0.192 922 E C 2.192 178.802 176.600 0.016 0.000 0.991 922 E CA 0.574 57.029 56.400 0.093 0.000 0.799 922 E CB 0.014 29.796 29.700 0.137 0.000 0.748 922 E HN 0.156 nan 8.360 nan 0.000 0.449 923 R N 0.748 121.231 120.500 -0.028 0.000 2.070 923 R HA -0.164 4.178 4.340 0.002 0.000 0.233 923 R C 2.340 178.559 176.300 -0.136 0.000 1.137 923 R CA 1.293 57.339 56.100 -0.090 0.000 0.945 923 R CB -0.138 30.118 30.300 -0.073 0.000 0.845 923 R HN 0.110 nan 8.270 nan 0.000 0.430 924 I N 0.701 121.203 120.570 -0.113 0.000 2.151 924 I HA -0.300 3.871 4.170 0.002 0.000 0.243 924 I C 2.328 178.350 176.117 -0.159 0.000 1.080 924 I CA 1.313 62.532 61.300 -0.135 0.000 1.339 924 I CB -1.325 36.601 38.000 -0.122 0.000 1.039 924 I HN 0.198 nan 8.210 nan 0.000 0.409 925 F N 2.140 121.894 119.950 -0.326 0.000 2.126 925 F HA -0.189 4.339 4.527 0.002 0.000 0.299 925 F C 2.502 178.149 175.800 -0.255 0.000 1.096 925 F CA 1.518 59.316 58.000 -0.337 0.000 1.255 925 F CB -0.496 38.257 39.000 -0.411 0.000 0.997 925 F HN 0.044 nan 8.300 nan 0.000 0.479 926 A N 0.363 122.963 122.820 -0.367 0.000 1.933 926 A HA -0.201 4.120 4.320 0.002 0.000 0.218 926 A C 2.314 179.627 177.584 -0.452 0.000 1.175 926 A CA 1.924 53.691 52.037 -0.451 0.000 0.628 926 A CB -0.773 18.056 19.000 -0.286 0.000 0.814 926 A HN 0.518 nan 8.150 nan 0.000 0.444 927 M N -1.362 118.010 119.600 -0.381 0.000 2.254 927 M HA -0.135 4.346 4.480 0.002 0.000 0.265 927 M C 2.292 178.410 176.300 -0.303 0.000 1.066 927 M CA 0.987 56.089 55.300 -0.331 0.000 1.123 927 M CB -0.570 31.874 32.600 -0.259 0.000 1.388 927 M HN 0.539 nan 8.290 nan 0.000 0.425 928 C N 0.322 119.416 119.300 -0.343 0.000 2.429 928 C HA -0.121 4.340 4.460 0.002 0.000 0.277 928 C C 2.848 177.596 174.990 -0.403 0.000 1.262 928 C CA 0.720 59.536 59.018 -0.336 0.000 1.733 928 C CB -0.880 26.677 27.740 -0.306 0.000 2.010 928 C HN 0.534 nan 8.230 nan 0.000 0.483 929 Q N 0.288 119.752 119.800 -0.560 0.000 2.084 929 Q HA -0.118 4.223 4.340 0.002 0.000 0.202 929 Q C 2.461 178.258 176.000 -0.338 0.000 0.978 929 Q CA 1.268 56.762 55.803 -0.515 0.000 0.844 929 Q CB -0.739 27.604 28.738 -0.659 0.000 0.898 929 Q HN 0.585 nan 8.270 nan 0.000 0.426 930 V N 1.703 121.436 119.914 -0.302 0.000 2.332 930 V HA -0.241 3.880 4.120 0.002 0.000 0.248 930 V C 2.292 178.278 176.094 -0.180 0.000 1.055 930 V CA 1.659 63.836 62.300 -0.206 0.000 1.038 930 V CB -0.374 31.350 31.823 -0.165 0.000 0.651 930 V HN 0.265 nan 8.190 nan 0.000 0.450 931 K N -0.275 120.009 120.400 -0.194 0.000 2.217 931 K HA -0.059 4.262 4.320 0.002 0.000 0.202 931 K C 1.826 178.304 176.600 -0.203 0.000 1.051 931 K CA 1.007 57.196 56.287 -0.162 0.000 0.952 931 K CB -0.343 32.061 32.500 -0.160 0.000 0.736 931 K HN 0.557 nan 8.250 nan 0.000 0.453 932 N N 0.326 118.874 118.700 -0.255 0.000 2.294 932 N HA -0.027 4.714 4.740 0.002 0.000 0.186 932 N C -0.194 175.144 175.510 -0.286 0.000 1.107 932 N CA -0.039 52.836 53.050 -0.292 0.000 0.884 932 N CB 0.774 39.087 38.487 -0.290 0.000 1.030 932 N HN 0.193 nan 8.380 nan 0.000 0.482 933 Q N 1.275 120.933 119.800 -0.236 0.000 2.260 933 Q HA 0.363 4.704 4.340 0.002 0.000 0.242 933 Q C -2.475 173.420 176.000 -0.175 0.000 0.932 933 Q CA -1.731 53.968 55.803 -0.174 0.000 0.891 933 Q CB 1.314 29.982 28.738 -0.118 0.000 1.222 933 Q HN 0.158 nan 8.270 nan 0.000 0.453 934 P HA -0.001 nan 4.420 nan 0.000 0.275 934 P C 0.589 177.778 177.300 -0.186 0.000 1.227 934 P CA -0.116 62.839 63.100 -0.243 0.000 0.781 934 P CB 0.676 32.108 31.700 -0.448 0.000 0.906 935 L N 3.328 124.457 121.223 -0.157 0.000 2.058 935 L HA -0.284 4.058 4.340 0.002 0.000 0.226 935 L C 2.075 178.817 176.870 -0.213 0.000 1.089 935 L CA 2.120 56.869 54.840 -0.152 0.000 0.799 935 L CB -0.670 41.322 42.059 -0.112 0.000 0.900 935 L HN 0.188 nan 8.230 nan 0.000 0.442 936 V N -0.669 119.059 119.914 -0.310 0.000 2.278 936 V HA -0.391 3.730 4.120 0.002 0.000 0.251 936 V C 2.115 177.945 176.094 -0.439 0.000 1.062 936 V CA 2.423 64.467 62.300 -0.427 0.000 1.038 936 V CB -0.528 30.932 31.823 -0.605 0.000 0.646 936 V HN 0.522 nan 8.190 nan 0.000 0.447 937 Y N -1.113 119.139 120.300 -0.080 0.000 2.395 937 Y HA -0.053 4.498 4.550 0.002 0.000 0.293 937 Y C 2.097 177.927 175.900 -0.116 0.000 1.123 937 Y CA 1.016 59.064 58.100 -0.087 0.000 1.227 937 Y CB -0.187 38.223 38.460 -0.084 0.000 1.012 937 Y HN 0.349 nan 8.280 nan 0.000 0.552 938 L N -0.365 120.827 121.223 -0.051 0.000 2.056 938 L HA -0.190 4.151 4.340 0.002 0.000 0.207 938 L C 1.963 178.766 176.870 -0.112 0.000 1.078 938 L CA 1.703 56.489 54.840 -0.090 0.000 0.749 938 L CB -0.480 41.512 42.059 -0.112 0.000 0.901 938 L HN 0.127 nan 8.230 nan 0.000 0.433 939 M N -1.015 118.494 119.600 -0.152 0.000 2.132 939 M HA -0.118 4.363 4.480 0.002 0.000 0.263 939 M C 2.232 178.458 176.300 -0.124 0.000 1.065 939 M CA 1.290 56.467 55.300 -0.205 0.000 1.122 939 M CB -1.293 31.145 32.600 -0.271 0.000 1.365 939 M HN 0.242 nan 8.290 nan 0.000 0.411 940 L N -0.267 120.915 121.223 -0.069 0.000 2.083 940 L HA -0.169 4.172 4.340 0.002 0.000 0.209 940 L C 2.301 179.157 176.870 -0.024 0.000 1.083 940 L CA 1.685 56.516 54.840 -0.015 0.000 0.752 940 L CB -1.666 40.422 42.059 0.048 0.000 0.899 940 L HN 0.320 nan 8.230 nan 0.000 0.433 941 T N -1.055 113.480 114.554 -0.032 0.000 2.812 941 T HA -0.111 4.240 4.350 0.002 0.000 0.264 941 T C 1.852 176.511 174.700 -0.068 0.000 1.042 941 T CA 1.706 63.775 62.100 -0.051 0.000 1.140 941 T CB -0.042 68.785 68.868 -0.068 0.000 0.870 941 T HN 0.330 nan 8.240 nan 0.000 0.445 942 T N 0.204 114.717 114.554 -0.069 0.000 2.812 942 T HA -0.082 4.269 4.350 0.002 0.000 0.264 942 T C 0.947 175.632 174.700 -0.026 0.000 1.042 942 T CA 0.936 63.004 62.100 -0.053 0.000 1.140 942 T CB -0.112 68.722 68.868 -0.056 0.000 0.870 942 T HN 0.340 nan 8.240 nan 0.000 0.445 943 H N 1.526 120.514 119.070 -0.137 0.000 2.448 943 H HA 0.338 4.895 4.556 0.002 0.000 0.237 943 H C -3.074 172.188 175.328 -0.110 0.000 1.391 943 H CA -2.476 53.505 56.048 -0.111 0.000 1.477 943 H CB 0.641 30.340 29.762 -0.104 0.000 1.520 943 H HN 0.091 nan 8.280 nan 0.000 0.502 944 P HA -0.044 nan 4.420 nan 0.000 0.266 944 P C -0.249 176.963 177.300 -0.147 0.000 1.193 944 P CA 0.350 63.365 63.100 -0.142 0.000 0.770 944 P CB 0.745 32.331 31.700 -0.191 0.000 0.836 945 S N 1.891 117.537 115.700 -0.090 0.000 2.513 945 S HA 0.398 4.869 4.470 0.002 0.000 0.276 945 S C -0.209 174.189 174.600 -0.337 0.000 1.254 945 S CA -0.296 57.779 58.200 -0.208 0.000 1.053 945 S CB 0.036 63.127 63.200 -0.181 0.000 0.958 945 S HN 0.309 nan 8.310 nan 0.000 0.491 946 L N 4.608 125.588 121.223 -0.405 0.000 2.333 946 L HA 0.649 4.990 4.340 0.002 0.000 0.280 946 L C -1.836 174.900 176.870 -0.224 0.000 1.004 946 L CA -0.345 54.371 54.840 -0.207 0.000 0.820 946 L CB 0.646 42.636 42.059 -0.114 0.000 1.247 946 L HN 0.608 nan 8.230 nan 0.000 0.416 947 Y N 3.220 123.698 120.300 0.297 0.000 2.512 947 Y HA 0.577 5.128 4.550 0.002 0.000 0.348 947 Y C -0.172 175.869 175.900 0.235 0.000 0.990 947 Y CA -0.841 57.409 58.100 0.249 0.000 1.033 947 Y CB 1.558 40.166 38.460 0.247 0.000 1.259 947 Y HN 0.539 nan 8.280 nan 0.000 0.461 948 R N 1.402 122.050 120.500 0.245 0.000 2.357 948 R HA 0.504 4.845 4.340 0.002 0.000 0.296 948 R C -0.036 176.147 176.300 -0.194 0.000 1.052 948 R CA -0.187 55.789 56.100 -0.205 0.000 0.988 948 R CB 0.721 30.901 30.300 -0.200 0.000 1.025 948 R HN 0.746 nan 8.270 nan 0.000 0.469 949 V N 0.738 120.471 119.914 -0.302 0.000 3.330 949 V HA 0.156 4.277 4.120 0.002 0.000 0.309 949 V C 0.560 176.550 176.094 -0.173 0.000 1.481 949 V CA 0.289 62.493 62.300 -0.160 0.000 1.068 949 V CB 0.602 32.453 31.823 0.048 0.000 0.935 949 V HN 0.914 nan 8.190 nan 0.000 0.453 950 D N 1.646 121.796 120.400 -0.417 0.000 2.340 950 D HA -0.042 4.599 4.640 0.002 0.000 0.220 950 D C 0.532 176.756 176.300 -0.127 0.000 1.039 950 D CA 0.742 54.472 54.000 -0.449 0.000 0.866 950 D CB -0.052 40.258 40.800 -0.817 0.000 0.913 950 D HN 0.698 nan 8.370 nan 0.000 0.523 951 N N 0.973 119.593 118.700 -0.133 0.000 2.622 951 N HA 0.116 4.857 4.740 0.002 0.000 0.304 951 N C -0.395 175.066 175.510 -0.081 0.000 1.844 951 N CA -0.403 52.600 53.050 -0.078 0.000 0.886 951 N CB -0.452 37.982 38.487 -0.087 0.000 1.366 951 N HN 0.071 nan 8.380 nan 0.000 0.491 952 L N 0.778 121.953 121.223 -0.081 0.000 2.467 952 L HA 0.340 4.681 4.340 0.002 0.000 0.270 952 L C 1.096 177.915 176.870 -0.084 0.000 1.205 952 L CA 0.024 54.792 54.840 -0.119 0.000 0.828 952 L CB 0.698 42.672 42.059 -0.142 0.000 1.101 952 L HN 0.539 nan 8.230 nan 0.000 0.479 953 S N -0.833 114.808 115.700 -0.099 0.000 3.642 953 S HA 0.320 4.791 4.470 0.002 0.000 0.312 953 S C -0.276 174.277 174.600 -0.077 0.000 1.117 953 S CA -0.746 57.412 58.200 -0.071 0.000 1.104 953 S CB 1.120 64.286 63.200 -0.057 0.000 1.397 953 S HN 0.563 nan 8.310 nan 0.000 0.756 954 D N 0.746 121.109 120.400 -0.062 0.000 2.463 954 D HA 0.286 4.927 4.640 0.002 0.000 0.224 954 D C -0.106 176.156 176.300 -0.063 0.000 1.174 954 D CA 0.204 54.168 54.000 -0.060 0.000 0.829 954 D CB 0.335 41.110 40.800 -0.042 0.000 0.993 954 D HN 0.430 nan 8.370 nan 0.000 0.497 955 E N 0.524 120.680 120.200 -0.073 0.000 2.463 955 E HA 0.133 4.484 4.350 0.002 0.000 0.191 955 E C 1.249 177.797 176.600 -0.087 0.000 1.083 955 E CA -0.198 56.163 56.400 -0.065 0.000 0.872 955 E CB 0.179 29.845 29.700 -0.056 0.000 0.966 955 E HN 0.192 nan 8.360 nan 0.000 0.491 956 G N 0.232 108.964 108.800 -0.113 0.000 2.516 956 G HA2 0.332 4.293 3.960 0.002 0.000 0.276 956 G HA3 0.332 4.293 3.960 0.002 0.000 0.276 956 G C 0.020 174.835 174.900 -0.141 0.000 1.390 956 G CA -0.187 44.818 45.100 -0.158 0.000 1.050 956 G HN 0.219 nan 8.290 nan 0.000 0.519 957 A N 0.599 123.301 122.820 -0.196 0.000 3.202 957 A HA 0.363 4.684 4.320 0.002 0.000 0.258 957 A C 0.983 178.508 177.584 -0.098 0.000 1.572 957 A CA -0.493 51.456 52.037 -0.147 0.000 1.241 957 A CB -0.897 17.977 19.000 -0.210 0.000 1.127 957 A HN 0.754 nan 8.150 nan 0.000 0.648 958 L N -0.837 120.342 121.223 -0.073 0.000 2.803 958 L HA 0.168 4.509 4.340 0.002 0.000 0.241 958 L C 0.590 177.446 176.870 -0.024 0.000 1.404 958 L CA 0.476 55.290 54.840 -0.044 0.000 1.211 958 L CB -1.020 41.016 42.059 -0.038 0.000 1.585 958 L HN 0.660 nan 8.230 nan 0.000 0.430 959 N N 1.246 119.936 118.700 -0.018 0.000 2.332 959 N HA -0.001 4.740 4.740 0.002 0.000 0.190 959 N C 0.781 176.299 175.510 0.014 0.000 1.117 959 N CA -0.232 52.818 53.050 0.000 0.000 0.883 959 N CB 0.624 39.114 38.487 0.005 0.000 1.089 959 N HN 0.372 nan 8.380 nan 0.000 0.480 960 I N 4.133 124.713 120.570 0.018 0.000 2.710 960 I HA -0.064 4.108 4.170 0.002 0.000 0.307 960 I C 1.424 177.558 176.117 0.030 0.000 1.175 960 I CA 0.398 61.721 61.300 0.037 0.000 2.125 960 I CB -1.964 36.070 38.000 0.056 0.000 1.576 960 I HN 0.195 nan 8.210 nan 0.000 0.995 961 S N 4.599 120.314 115.700 0.025 0.000 4.145 961 S HA -0.376 4.095 4.470 0.002 0.000 0.537 961 S C 0.982 175.593 174.600 0.017 0.000 1.193 961 S CA 1.944 60.156 58.200 0.021 0.000 3.596 961 S CB -1.182 62.033 63.200 0.024 0.000 2.081 961 S HN 0.639 nan 8.310 nan 0.000 0.456 962 D N 2.132 122.545 120.400 0.021 0.000 2.368 962 D HA 0.376 5.017 4.640 0.002 0.000 0.218 962 D C 0.501 176.812 176.300 0.018 0.000 1.112 962 D CA -0.189 53.821 54.000 0.018 0.000 0.834 962 D CB -0.084 40.727 40.800 0.019 0.000 0.953 962 D HN 0.669 nan 8.370 nan 0.000 0.505 963 R N -1.151 119.361 120.500 0.020 0.000 2.740 963 R HA 0.564 4.905 4.340 0.002 0.000 0.282 963 R C 0.366 176.667 176.300 0.001 0.000 0.969 963 R CA -0.489 55.623 56.100 0.019 0.000 0.918 963 R CB 1.884 32.207 30.300 0.038 0.000 1.175 963 R HN -0.175 nan 8.270 nan 0.000 0.464 964 T N 1.279 115.827 114.554 -0.010 0.000 3.004 964 T HA 0.200 4.551 4.350 0.002 0.000 0.243 964 T C -0.194 174.461 174.700 -0.074 0.000 1.020 964 T CA 0.145 62.224 62.100 -0.036 0.000 1.145 964 T CB 0.004 68.853 68.868 -0.032 0.000 0.876 964 T HN 0.509 nan 8.240 nan 0.000 0.449 965 I N 2.077 122.608 120.570 -0.064 0.000 7.863 965 I HA -0.128 4.044 4.170 0.002 0.000 0.126 965 I C -2.549 173.454 176.117 -0.189 0.000 1.842 965 I CA -0.702 60.526 61.300 -0.120 0.000 2.048 965 I CB -1.149 36.696 38.000 -0.257 0.000 3.719 965 I HN 0.163 nan 8.210 nan 0.000 0.172 966 P HA 0.068 nan 4.420 nan 0.000 0.272 966 P C -0.603 176.489 177.300 -0.347 0.000 1.223 966 P CA 0.002 62.960 63.100 -0.237 0.000 0.784 966 P CB 0.768 32.311 31.700 -0.261 0.000 0.923 967 Q N 1.827 121.436 119.800 -0.317 0.000 2.965 967 Q HA 0.292 4.634 4.340 0.002 0.000 0.288 967 Q C -1.985 173.886 176.000 -0.215 0.000 0.974 967 Q CA -1.494 54.141 55.803 -0.280 0.000 0.849 967 Q CB 0.764 29.383 28.738 -0.198 0.000 1.280 967 Q HN 0.468 nan 8.270 nan 0.000 0.441 968 P HA 0.194 nan 4.420 nan 0.000 0.272 968 P C -2.490 174.865 177.300 0.093 0.000 1.223 968 P CA -1.043 61.952 63.100 -0.175 0.000 0.784 968 P CB 0.314 31.817 31.700 -0.328 0.000 0.923 969 P HA 0.223 nan 4.420 nan 0.000 0.280 969 P C -0.188 177.262 177.300 0.250 0.000 1.244 969 P CA -0.309 62.900 63.100 0.182 0.000 0.784 969 P CB 0.504 32.267 31.700 0.104 0.000 0.913 970 I N 3.141 123.836 120.570 0.208 0.000 2.618 970 I HA 0.009 4.180 4.170 0.002 0.000 0.284 970 I C 0.880 177.009 176.117 0.020 0.000 1.146 970 I CA 0.480 61.793 61.300 0.022 0.000 1.425 970 I CB -0.344 37.667 38.000 0.018 0.000 1.383 970 I HN 0.168 nan 8.210 nan 0.000 0.562 971 L N 6.152 127.361 121.223 -0.023 0.000 2.344 971 L HA 0.459 4.801 4.340 0.002 0.000 0.272 971 L C 0.221 177.072 176.870 -0.032 0.000 1.035 971 L CA -0.956 53.886 54.840 0.004 0.000 0.807 971 L CB 0.852 42.937 42.059 0.043 0.000 1.237 971 L HN 0.527 nan 8.230 nan 0.000 0.442 972 Q N 1.343 121.123 119.800 -0.032 0.000 2.354 972 Q HA 0.296 4.638 4.340 0.002 0.000 0.244 972 Q C -0.535 175.390 176.000 -0.125 0.000 0.969 972 Q CA -0.463 55.312 55.803 -0.045 0.000 0.885 972 Q CB 1.220 29.923 28.738 -0.059 0.000 1.241 972 Q HN 0.452 nan 8.270 nan 0.000 0.461 973 L N 2.087 123.199 121.223 -0.186 0.000 2.388 973 L HA 0.084 4.425 4.340 0.002 0.000 0.252 973 L C 0.143 176.885 176.870 -0.214 0.000 1.357 973 L CA 0.029 54.708 54.840 -0.268 0.000 1.214 973 L CB -0.443 41.383 42.059 -0.387 0.000 1.392 973 L HN 0.389 nan 8.230 nan 0.000 0.432 974 S N -0.120 115.462 115.700 -0.196 0.000 2.548 974 S HA 0.307 4.778 4.470 0.002 0.000 0.276 974 S C 0.761 175.241 174.600 -0.199 0.000 1.129 974 S CA -0.718 57.382 58.200 -0.166 0.000 0.931 974 S CB 2.015 65.149 63.200 -0.110 0.000 1.068 974 S HN 0.063 nan 8.310 nan 0.000 0.480 975 V N 4.458 124.256 119.914 -0.192 0.000 3.026 975 V HA -0.078 4.043 4.120 0.002 0.000 0.265 975 V C 1.983 177.966 176.094 -0.184 0.000 1.121 975 V CA 1.895 64.061 62.300 -0.223 0.000 1.142 975 V CB -0.791 30.921 31.823 -0.185 0.000 0.730 975 V HN 0.878 nan 8.190 nan 0.000 0.503 976 E N -0.322 119.797 120.200 -0.134 0.000 2.418 976 E HA -0.111 4.241 4.350 0.002 0.000 0.197 976 E C 1.807 178.345 176.600 -0.103 0.000 1.026 976 E CA 0.398 56.740 56.400 -0.097 0.000 0.862 976 E CB 0.074 29.733 29.700 -0.067 0.000 0.799 976 E HN 0.454 nan 8.360 nan 0.000 0.518 977 K N -0.034 120.274 120.400 -0.153 0.000 2.352 977 K HA 0.156 4.477 4.320 0.002 0.000 0.194 977 K C 1.083 177.504 176.600 -0.298 0.000 1.038 977 K CA 0.108 56.304 56.287 -0.151 0.000 1.023 977 K CB 0.428 32.849 32.500 -0.132 0.000 0.840 977 K HN 0.116 nan 8.250 nan 0.000 0.519 978 L N 0.306 121.267 121.223 -0.436 0.000 2.475 978 L HA 0.142 4.484 4.340 0.002 0.000 0.212 978 L C 0.514 177.253 176.870 -0.219 0.000 1.204 978 L CA -0.161 54.245 54.840 -0.722 0.000 0.843 978 L CB 0.307 41.980 42.059 -0.644 0.000 1.360 978 L HN -0.038 nan 8.230 nan 0.000 0.527 979 S N -1.714 114.055 115.700 0.115 0.000 2.583 979 S HA 0.262 4.734 4.470 0.002 0.000 0.294 979 S C 0.012 174.867 174.600 0.425 0.000 1.121 979 S CA -0.752 57.622 58.200 0.291 0.000 0.910 979 S CB 1.136 64.538 63.200 0.337 0.000 1.102 979 S HN 0.557 nan 8.310 nan 0.000 0.451 980 R N 1.688 122.346 120.500 0.263 0.000 2.339 980 R HA 0.063 4.404 4.340 0.002 0.000 0.199 980 R C 0.078 176.391 176.300 0.021 0.000 1.018 980 R CA 0.818 57.012 56.100 0.157 0.000 1.036 980 R CB -0.105 30.248 30.300 0.089 0.000 0.899 980 R HN 0.528 nan 8.270 nan 0.000 0.473 981 D N -0.241 120.199 120.400 0.066 0.000 2.349 981 D HA 0.089 4.730 4.640 0.002 0.000 0.214 981 D C 0.904 177.175 176.300 -0.048 0.000 1.063 981 D CA 0.484 54.484 54.000 0.001 0.000 0.847 981 D CB 0.754 41.567 40.800 0.021 0.000 0.933 981 D HN 0.280 nan 8.370 nan 0.000 0.513 982 G N -0.278 108.510 108.800 -0.020 0.000 3.086 982 G HA2 0.667 4.628 3.960 0.002 0.000 0.282 982 G HA3 0.667 4.628 3.960 0.002 0.000 0.282 982 G C -1.561 173.124 174.900 -0.358 0.000 1.343 982 G CA -0.474 44.485 45.100 -0.235 0.000 0.895 982 G HN 0.123 nan 8.290 nan 0.000 0.557 983 A N -0.912 121.488 122.820 -0.700 0.000 2.386 983 A HA 0.852 5.174 4.320 0.002 0.000 0.311 983 A C -1.734 175.481 177.584 -0.615 0.000 1.068 983 A CA -0.562 51.134 52.037 -0.569 0.000 0.743 983 A CB 1.069 19.522 19.000 -0.912 0.000 1.258 983 A HN 0.525 nan 8.150 nan 0.000 0.429 984 F N 1.016 121.059 119.950 0.154 0.000 2.540 984 F HA 0.572 5.100 4.527 0.002 0.000 0.317 984 F C -0.321 175.692 175.800 0.355 0.000 1.104 984 F CA -0.685 57.495 58.000 0.299 0.000 0.913 984 F CB 2.218 41.486 39.000 0.447 0.000 1.170 984 F HN 0.482 nan 8.300 nan 0.000 0.450 985 L N 4.742 126.267 121.223 0.504 0.000 2.295 985 L HA 0.634 4.975 4.340 0.002 0.000 0.285 985 L C -0.830 176.345 176.870 0.509 0.000 1.035 985 L CA -0.467 54.665 54.840 0.487 0.000 0.806 985 L CB 1.329 43.679 42.059 0.485 0.000 1.214 985 L HN 0.750 nan 8.230 nan 0.000 0.426 986 M N 4.558 124.410 119.600 0.420 0.000 2.181 986 M HA 0.349 4.830 4.480 0.002 0.000 0.323 986 M C -1.434 174.964 176.300 0.163 0.000 1.004 986 M CA -0.572 54.862 55.300 0.223 0.000 0.941 986 M CB 1.152 33.796 32.600 0.074 0.000 1.579 986 M HN 0.646 nan 8.290 nan 0.000 0.427 987 D N 4.369 124.856 120.400 0.145 0.000 2.428 987 D HA 0.418 5.059 4.640 0.002 0.000 0.221 987 D C -0.032 176.296 176.300 0.045 0.000 1.123 987 D CA -0.088 53.984 54.000 0.120 0.000 0.869 987 D CB 1.465 42.389 40.800 0.207 0.000 1.032 987 D HN 0.695 nan 8.370 nan 0.000 0.506 988 A N 2.713 125.548 122.820 0.024 0.000 2.415 988 A HA 0.547 4.868 4.320 0.002 0.000 0.248 988 A C 1.635 179.231 177.584 0.020 0.000 1.299 988 A CA 0.475 52.512 52.037 0.001 0.000 0.899 988 A CB -0.330 18.663 19.000 -0.012 0.000 0.997 988 A HN 0.849 nan 8.150 nan 0.000 0.506 989 G N 0.321 109.147 108.800 0.044 0.000 3.444 989 G HA2 -0.423 3.538 3.960 0.002 0.000 0.222 989 G HA3 -0.423 3.538 3.960 0.002 0.000 0.222 989 G C 1.704 176.608 174.900 0.007 0.000 1.358 989 G CA 1.282 46.427 45.100 0.075 0.000 0.880 989 G HN 1.515 nan 8.290 nan 0.000 0.555 990 S N -0.628 115.060 115.700 -0.019 0.000 2.486 990 S HA 0.635 5.106 4.470 0.002 0.000 0.220 990 S C 0.732 175.342 174.600 0.017 0.000 1.011 990 S CA 1.194 59.365 58.200 -0.049 0.000 0.921 990 S CB 0.939 64.097 63.200 -0.071 0.000 0.785 990 S HN 1.719 nan 8.310 nan 0.000 0.517 991 V N 0.598 120.534 119.914 0.037 0.000 3.147 991 V HA 0.573 4.694 4.120 0.002 0.000 0.306 991 V C -2.049 174.066 176.094 0.036 0.000 1.209 991 V CA -1.267 61.076 62.300 0.071 0.000 1.023 991 V CB 2.256 34.164 31.823 0.142 0.000 1.059 991 V HN 0.450 nan 8.190 nan 0.000 0.435 992 L N 4.882 126.121 121.223 0.026 0.000 2.377 992 L HA 0.581 4.922 4.340 0.002 0.000 0.270 992 L C -0.760 176.092 176.870 -0.030 0.000 0.991 992 L CA -0.280 54.574 54.840 0.023 0.000 0.851 992 L CB 1.655 43.725 42.059 0.018 0.000 1.218 992 L HN 0.556 nan 8.230 nan 0.000 0.420 993 M N 4.343 123.933 119.600 -0.017 0.000 2.209 993 M HA 0.393 4.874 4.480 0.002 0.000 0.355 993 M C -0.736 175.645 176.300 0.135 0.000 1.171 993 M CA -0.439 54.800 55.300 -0.100 0.000 1.069 993 M CB 1.951 34.532 32.600 -0.032 0.000 1.622 993 M HN 0.308 nan 8.290 nan 0.000 0.459 994 L N 4.437 125.691 121.223 0.051 0.000 2.301 994 L HA 0.466 4.807 4.340 0.002 0.000 0.278 994 L C -1.665 175.228 176.870 0.038 0.000 1.022 994 L CA -0.083 54.834 54.840 0.129 0.000 0.854 994 L CB 0.425 42.571 42.059 0.146 0.000 1.226 994 L HN 0.757 nan 8.230 nan 0.000 0.429 995 W N 6.211 127.346 121.300 -0.276 0.000 2.272 995 W HA 0.582 5.243 4.660 0.002 0.000 0.318 995 W C -1.029 175.433 176.519 -0.094 0.000 1.255 995 W CA -0.356 56.728 57.345 -0.435 0.000 1.200 995 W CB 1.044 29.850 29.460 -1.090 0.000 1.170 995 W HN 0.317 nan 8.180 nan 0.000 0.549 996 V N 7.116 126.556 119.914 -0.791 0.000 2.448 996 V HA 0.553 4.674 4.120 0.002 0.000 0.295 996 V C 0.781 176.193 176.094 -1.138 0.000 1.025 996 V CA -0.922 60.978 62.300 -0.666 0.000 0.859 996 V CB 0.881 32.597 31.823 -0.178 0.000 0.988 996 V HN 0.781 nan 8.190 nan 0.000 0.431 997 G N 2.246 110.408 108.800 -1.063 0.000 2.483 997 G HA2 0.221 4.182 3.960 0.002 0.000 0.248 997 G HA3 0.221 4.182 3.960 0.002 0.000 0.248 997 G C 0.695 175.267 174.900 -0.545 0.000 1.248 997 G CA -0.199 44.359 45.100 -0.903 0.000 0.838 997 G HN 0.848 nan 8.290 nan 0.000 0.566 998 K N 0.637 120.691 120.400 -0.577 0.000 2.103 998 K HA -0.148 4.173 4.320 0.002 0.000 0.207 998 K C 1.322 177.552 176.600 -0.616 0.000 1.048 998 K CA 1.426 57.122 56.287 -0.985 0.000 0.930 998 K CB 0.036 32.180 32.500 -0.594 0.000 0.716 998 K HN 0.466 nan 8.250 nan 0.000 0.444 999 N N 0.528 119.039 118.700 -0.314 0.000 2.451 999 N HA 0.026 4.767 4.740 0.002 0.000 0.264 999 N C -1.084 174.348 175.510 -0.129 0.000 1.167 999 N CA -0.322 52.620 53.050 -0.179 0.000 0.898 999 N CB -0.205 38.220 38.487 -0.103 0.000 1.176 999 N HN 0.190 nan 8.380 nan 0.000 0.507 1000 C N 0.294 119.505 119.300 -0.150 0.000 2.656 1000 C HA 0.367 4.829 4.460 0.002 0.000 0.391 1000 C C 1.368 176.343 174.990 -0.026 0.000 1.300 1000 C CA -0.358 58.599 59.018 -0.101 0.000 2.302 1000 C CB -0.251 27.435 27.740 -0.090 0.000 2.655 1000 C HN 0.644 nan 8.230 nan 0.000 0.656 1001 T N 2.922 117.472 114.554 -0.008 0.000 2.926 1001 T HA 0.047 4.399 4.350 0.002 0.000 0.307 1001 T C 0.941 175.689 174.700 0.079 0.000 1.059 1001 T CA 0.224 62.344 62.100 0.032 0.000 1.122 1001 T CB 0.849 69.736 68.868 0.031 0.000 0.972 1001 T HN 0.819 nan 8.240 nan 0.000 0.545 1002 Q N 1.733 121.564 119.800 0.052 0.000 2.167 1002 Q HA -0.118 4.223 4.340 0.002 0.000 0.202 1002 Q C 2.082 178.114 176.000 0.052 0.000 0.970 1002 Q CA 1.684 57.516 55.803 0.049 0.000 0.855 1002 Q CB -0.429 28.325 28.738 0.027 0.000 0.911 1002 Q HN 0.909 nan 8.270 nan 0.000 0.438 1003 N N -0.167 118.569 118.700 0.060 0.000 2.120 1003 N HA -0.166 4.576 4.740 0.002 0.000 0.188 1003 N C 1.459 177.012 175.510 0.072 0.000 1.024 1003 N CA 1.061 54.143 53.050 0.053 0.000 0.852 1003 N CB -0.302 38.218 38.487 0.055 0.000 1.003 1003 N HN 0.136 nan 8.380 nan 0.000 0.424 1004 F N 0.718 120.652 119.950 -0.027 0.000 2.186 1004 F HA 0.050 4.578 4.527 0.002 0.000 0.299 1004 F C 1.803 177.590 175.800 -0.023 0.000 1.090 1004 F CA 0.997 58.978 58.000 -0.030 0.000 1.307 1004 F CB -0.168 38.804 39.000 -0.046 0.000 1.019 1004 F HN 0.065 nan 8.300 nan 0.000 0.489 1005 L N -0.433 120.837 121.223 0.077 0.000 2.017 1005 L HA -0.237 4.104 4.340 0.002 0.000 0.208 1005 L C 2.687 179.510 176.870 -0.077 0.000 1.073 1005 L CA 1.754 56.595 54.840 0.001 0.000 0.745 1005 L CB -0.972 41.124 42.059 0.062 0.000 0.894 1005 L HN 0.266 nan 8.230 nan 0.000 0.432 1006 S N -1.631 114.038 115.700 -0.052 0.000 2.388 1006 S HA -0.094 4.377 4.470 0.002 0.000 0.223 1006 S C 1.880 176.429 174.600 -0.085 0.000 1.034 1006 S CA 0.192 58.358 58.200 -0.057 0.000 0.963 1006 S CB -0.211 62.972 63.200 -0.027 0.000 0.827 1006 S HN 0.328 nan 8.310 nan 0.000 0.481 1007 Q N 0.605 120.348 119.800 -0.095 0.000 2.245 1007 Q HA 0.219 4.560 4.340 0.002 0.000 0.201 1007 Q C 2.161 178.059 176.000 -0.170 0.000 0.955 1007 Q CA 0.824 56.567 55.803 -0.101 0.000 0.870 1007 Q CB -0.181 28.520 28.738 -0.062 0.000 0.945 1007 Q HN 0.562 nan 8.270 nan 0.000 0.461 1008 V N -0.389 119.334 119.914 -0.320 0.000 2.911 1008 V HA 0.020 4.141 4.120 0.002 0.000 0.237 1008 V C 1.994 177.858 176.094 -0.384 0.000 1.156 1008 V CA 0.412 62.446 62.300 -0.443 0.000 1.180 1008 V CB 0.005 31.277 31.823 -0.918 0.000 0.932 1008 V HN 0.133 nan 8.190 nan 0.000 0.483 1009 L N 0.723 121.702 121.223 -0.406 0.000 2.341 1009 L HA 0.304 4.645 4.340 0.002 0.000 0.214 1009 L C 1.618 178.408 176.870 -0.133 0.000 1.115 1009 L CA 1.089 55.790 54.840 -0.231 0.000 0.820 1009 L CB -0.478 41.475 42.059 -0.177 0.000 0.944 1009 L HN 0.607 nan 8.230 nan 0.000 0.452 1010 G N 1.083 109.809 108.800 -0.124 0.000 2.256 1010 G HA2 -0.204 3.757 3.960 0.002 0.000 0.272 1010 G HA3 -0.204 3.757 3.960 0.002 0.000 0.272 1010 G C -0.269 174.596 174.900 -0.057 0.000 1.076 1010 G CA 0.167 45.221 45.100 -0.078 0.000 0.882 1010 G HN 0.130 nan 8.290 nan 0.000 0.497 1011 V N -0.510 119.371 119.914 -0.055 0.000 3.040 1011 V HA 0.539 4.660 4.120 0.002 0.000 0.312 1011 V C 0.653 176.735 176.094 -0.020 0.000 1.115 1011 V CA -0.773 61.505 62.300 -0.036 0.000 0.998 1011 V CB 1.903 33.702 31.823 -0.039 0.000 1.042 1011 V HN 0.157 nan 8.190 nan 0.000 0.433 1012 Q N 1.561 121.355 119.800 -0.010 0.000 2.384 1012 Q HA 0.194 4.535 4.340 0.002 0.000 0.207 1012 Q C -0.126 175.885 176.000 0.018 0.000 0.904 1012 Q CA 0.355 56.159 55.803 0.002 0.000 0.933 1012 Q CB 0.285 29.023 28.738 -0.000 0.000 1.077 1012 Q HN 0.981 nan 8.270 nan 0.000 0.522 1013 N N -3.424 115.292 118.700 0.027 0.000 3.043 1013 N HA -0.027 4.714 4.740 0.002 0.000 0.243 1013 N C -0.200 175.364 175.510 0.089 0.000 1.347 1013 N CA -0.643 52.444 53.050 0.062 0.000 0.896 1013 N CB -0.165 38.355 38.487 0.055 0.000 1.501 1013 N HN -0.209 nan 8.380 nan 0.000 0.504 1014 Y N 1.265 121.556 120.300 -0.015 0.000 2.069 1014 Y HA -0.261 4.290 4.550 0.002 0.000 0.278 1014 Y C 2.358 178.246 175.900 -0.020 0.000 1.175 1014 Y CA 3.284 61.370 58.100 -0.024 0.000 1.134 1014 Y CB -0.722 37.717 38.460 -0.035 0.000 0.965 1014 Y HN 0.802 nan 8.280 nan 0.000 0.498 1015 A N -0.565 122.312 122.820 0.095 0.000 1.958 1015 A HA -0.245 4.077 4.320 0.002 0.000 0.221 1015 A C 2.047 179.590 177.584 -0.068 0.000 1.178 1015 A CA 2.213 54.252 52.037 0.003 0.000 0.642 1015 A CB -1.210 17.821 19.000 0.051 0.000 0.816 1015 A HN 0.578 nan 8.150 nan 0.000 0.453 1016 S N -0.823 114.845 115.700 -0.053 0.000 2.618 1016 S HA 0.462 4.933 4.470 0.002 0.000 0.242 1016 S C 0.094 174.645 174.600 -0.083 0.000 0.972 1016 S CA -0.449 57.716 58.200 -0.058 0.000 1.004 1016 S CB -0.514 62.668 63.200 -0.030 0.000 0.778 1016 S HN 0.374 nan 8.310 nan 0.000 0.459 1017 I N 4.324 124.809 120.570 -0.142 0.000 2.291 1017 I HA 0.240 4.411 4.170 0.002 0.000 0.292 1017 I C -1.933 174.112 176.117 -0.120 0.000 1.064 1017 I CA -2.324 58.892 61.300 -0.141 0.000 1.269 1017 I CB 0.478 38.346 38.000 -0.219 0.000 1.418 1017 I HN 0.085 nan 8.210 nan 0.000 0.485 1018 P HA -0.148 nan 4.420 nan 0.000 0.263 1018 P C 0.206 177.474 177.300 -0.053 0.000 1.162 1018 P CA 0.406 63.473 63.100 -0.055 0.000 0.758 1018 P CB 1.045 32.723 31.700 -0.035 0.000 0.773 1019 Q N 4.319 124.090 119.800 -0.048 0.000 1.723 1019 Q HA -0.092 4.249 4.340 0.002 0.000 0.363 1019 Q C -1.321 174.668 176.000 -0.018 0.000 0.987 1019 Q CA 1.149 56.929 55.803 -0.039 0.000 0.896 1019 Q CB -1.385 27.331 28.738 -0.037 0.000 0.941 1019 Q HN 0.414 nan 8.270 nan 0.000 0.410 1020 P HA 0.045 nan 4.420 nan 0.000 0.275 1020 P C -1.193 176.109 177.300 0.003 0.000 1.276 1020 P CA 0.855 63.943 63.100 -0.020 0.000 0.782 1020 P CB 0.319 31.986 31.700 -0.055 0.000 0.851 1021 M N 3.548 123.175 119.600 0.045 0.000 2.103 1021 M HA 0.139 4.620 4.480 0.002 0.000 0.350 1021 M C 1.199 177.560 176.300 0.102 0.000 1.100 1021 M CA -0.203 55.130 55.300 0.055 0.000 1.042 1021 M CB 0.718 33.347 32.600 0.049 0.000 1.368 1021 M HN 0.182 nan 8.290 nan 0.000 0.404 1022 T N 2.382 116.980 114.554 0.074 0.000 3.025 1022 T HA -0.041 4.311 4.350 0.002 0.000 0.270 1022 T C 0.157 174.939 174.700 0.136 0.000 1.126 1022 T CA 1.324 63.484 62.100 0.101 0.000 1.105 1022 T CB -0.087 68.816 68.868 0.059 0.000 0.884 1022 T HN 0.821 nan 8.240 nan 0.000 0.522 1023 D N -1.459 119.009 120.400 0.114 0.000 2.993 1023 D HA 0.142 4.783 4.640 0.002 0.000 0.284 1023 D C -1.361 174.983 176.300 0.075 0.000 1.172 1023 D CA -0.582 53.487 54.000 0.114 0.000 0.729 1023 D CB 0.362 41.239 40.800 0.127 0.000 1.270 1023 D HN 0.115 nan 8.370 nan 0.000 0.436 1024 L N 1.791 123.054 121.223 0.067 0.000 2.418 1024 L HA 0.469 4.810 4.340 0.002 0.000 0.265 1024 L C -1.581 175.302 176.870 0.021 0.000 1.143 1024 L CA -1.134 53.724 54.840 0.029 0.000 0.809 1024 L CB 0.794 42.866 42.059 0.022 0.000 1.124 1024 L HN 0.267 nan 8.230 nan 0.000 0.456 1025 P HA 0.217 nan 4.420 nan 0.000 0.281 1025 P C -1.361 175.935 177.300 -0.008 0.000 1.264 1025 P CA -0.677 62.420 63.100 -0.006 0.000 0.824 1025 P CB 0.996 32.683 31.700 -0.021 0.000 1.092 1026 E N 0.958 121.158 120.200 -0.001 0.000 2.103 1026 E HA 0.318 4.669 4.350 0.002 0.000 0.254 1026 E C -0.393 176.201 176.600 -0.010 0.000 0.940 1026 E CA -0.395 56.005 56.400 0.001 0.000 0.771 1026 E CB 0.370 30.079 29.700 0.015 0.000 1.153 1026 E HN 0.332 nan 8.360 nan 0.000 0.428 1027 L N 1.406 122.616 121.223 -0.022 0.000 2.421 1027 L HA 0.232 4.574 4.340 0.002 0.000 0.263 1027 L C 0.849 177.707 176.870 -0.019 0.000 1.122 1027 L CA -0.602 54.222 54.840 -0.027 0.000 0.804 1027 L CB 0.648 42.680 42.059 -0.045 0.000 1.150 1027 L HN 0.372 nan 8.230 nan 0.000 0.457 1028 D N 1.739 122.129 120.400 -0.017 0.000 2.713 1028 D HA 0.086 4.727 4.640 0.002 0.000 0.229 1028 D C -0.587 175.704 176.300 -0.015 0.000 1.136 1028 D CA 0.059 54.052 54.000 -0.012 0.000 1.010 1028 D CB -0.059 40.735 40.800 -0.009 0.000 1.084 1028 D HN 0.646 nan 8.370 nan 0.000 0.495 1029 T N -1.392 113.152 114.554 -0.017 0.000 2.900 1029 T HA 0.447 4.798 4.350 0.002 0.000 0.303 1029 T C -2.070 172.622 174.700 -0.013 0.000 1.142 1029 T CA -1.325 60.764 62.100 -0.018 0.000 1.007 1029 T CB 2.352 71.202 68.868 -0.030 0.000 1.156 1029 T HN -0.189 nan 8.240 nan 0.000 0.490 1030 P HA 0.010 nan 4.420 nan 0.000 0.221 1030 P C 0.804 178.102 177.300 -0.003 0.000 1.150 1030 P CA 0.963 64.060 63.100 -0.005 0.000 0.800 1030 P CB 0.308 32.005 31.700 -0.004 0.000 0.787 1031 E N 0.071 120.266 120.200 -0.008 0.000 2.072 1031 E HA -0.102 4.249 4.350 0.002 0.000 0.191 1031 E C 2.384 178.977 176.600 -0.012 0.000 0.985 1031 E CA 1.225 57.623 56.400 -0.004 0.000 0.801 1031 E CB -0.993 28.701 29.700 -0.009 0.000 0.750 1031 E HN 0.149 nan 8.360 nan 0.000 0.452 1032 S N -0.128 115.554 115.700 -0.031 0.000 2.355 1032 S HA -0.138 4.333 4.470 0.002 0.000 0.222 1032 S C 2.068 176.672 174.600 0.006 0.000 1.031 1032 S CA 1.144 59.325 58.200 -0.031 0.000 0.993 1032 S CB -0.332 62.844 63.200 -0.040 0.000 0.859 1032 S HN 0.330 nan 8.310 nan 0.000 0.453 1033 A N 1.993 124.819 122.820 0.009 0.000 1.908 1033 A HA -0.126 4.195 4.320 0.002 0.000 0.218 1033 A C 2.275 179.881 177.584 0.037 0.000 1.181 1033 A CA 1.442 53.493 52.037 0.023 0.000 0.627 1033 A CB -0.621 18.388 19.000 0.015 0.000 0.818 1033 A HN 0.580 nan 8.150 nan 0.000 0.445 1034 R N -1.022 119.497 120.500 0.031 0.000 2.070 1034 R HA -0.062 4.279 4.340 0.002 0.000 0.233 1034 R C 2.219 178.571 176.300 0.086 0.000 1.137 1034 R CA 1.616 57.739 56.100 0.038 0.000 0.945 1034 R CB -0.590 29.718 30.300 0.013 0.000 0.845 1034 R HN 0.647 nan 8.270 nan 0.000 0.430 1035 I N 0.884 121.512 120.570 0.097 0.000 2.315 1035 I HA -0.238 3.933 4.170 0.002 0.000 0.248 1035 I C 1.829 178.051 176.117 0.176 0.000 1.117 1035 I CA 1.128 62.529 61.300 0.167 0.000 1.404 1035 I CB 0.089 38.183 38.000 0.156 0.000 1.071 1035 I HN 0.116 nan 8.210 nan 0.000 0.419 1036 I N 1.141 121.777 120.570 0.110 0.000 2.546 1036 I HA -0.166 4.005 4.170 0.002 0.000 0.255 1036 I C 2.696 178.878 176.117 0.108 0.000 1.163 1036 I CA 1.380 62.736 61.300 0.095 0.000 1.457 1036 I CB -1.671 36.368 38.000 0.065 0.000 1.092 1036 I HN 0.280 nan 8.210 nan 0.000 0.434 1037 A N 0.454 123.346 122.820 0.120 0.000 1.897 1037 A HA -0.211 4.110 4.320 0.002 0.000 0.215 1037 A C 2.221 179.923 177.584 0.197 0.000 1.181 1037 A CA 0.844 52.958 52.037 0.128 0.000 0.620 1037 A CB -0.869 18.186 19.000 0.092 0.000 0.821 1037 A HN 0.320 nan 8.150 nan 0.000 0.443 1038 F N 1.034 121.011 119.950 0.044 0.000 2.046 1038 F HA -0.181 4.347 4.527 0.002 0.000 0.297 1038 F C 1.975 177.864 175.800 0.149 0.000 1.123 1038 F CA 1.643 59.677 58.000 0.057 0.000 1.199 1038 F CB -0.588 38.402 39.000 -0.016 0.000 0.972 1038 F HN 0.180 nan 8.300 nan 0.000 0.474 1039 I N -0.463 120.071 120.570 -0.059 0.000 2.208 1039 I HA -0.353 3.818 4.170 0.002 0.000 0.245 1039 I C 2.482 178.537 176.117 -0.104 0.000 1.097 1039 I CA 1.574 62.773 61.300 -0.169 0.000 1.363 1039 I CB -0.759 37.224 38.000 -0.027 0.000 1.051 1039 I HN 0.093 nan 8.210 nan 0.000 0.413 1040 S N -0.268 115.440 115.700 0.014 0.000 2.383 1040 S HA -0.253 4.218 4.470 0.002 0.000 0.229 1040 S C 1.550 176.185 174.600 0.057 0.000 1.030 1040 S CA 1.461 59.685 58.200 0.040 0.000 1.002 1040 S CB -0.450 62.807 63.200 0.094 0.000 0.829 1040 S HN 0.606 nan 8.310 nan 0.000 0.467 1041 W N 2.203 123.444 121.300 -0.099 0.000 2.381 1041 W HA 0.010 4.671 4.660 0.002 0.000 0.301 1041 W C 1.617 178.057 176.519 -0.133 0.000 1.205 1041 W CA 0.828 58.123 57.345 -0.083 0.000 1.285 1041 W CB -0.487 28.946 29.460 -0.046 0.000 1.133 1041 W HN 0.179 nan 8.180 nan 0.000 0.521 1042 L N 0.965 122.035 121.223 -0.255 0.000 2.012 1042 L HA -0.232 4.109 4.340 0.002 0.000 0.210 1042 L C 2.651 179.321 176.870 -0.333 0.000 1.073 1042 L CA 2.140 56.725 54.840 -0.425 0.000 0.748 1042 L CB -0.888 40.943 42.059 -0.380 0.000 0.891 1042 L HN 0.061 nan 8.230 nan 0.000 0.431 1043 R N -0.217 120.129 120.500 -0.256 0.000 2.307 1043 R HA -0.053 4.288 4.340 0.002 0.000 0.199 1043 R C 1.416 177.626 176.300 -0.149 0.000 1.000 1043 R CA 0.604 56.569 56.100 -0.226 0.000 1.023 1043 R CB -0.299 29.788 30.300 -0.355 0.000 0.908 1043 R HN 0.400 nan 8.270 nan 0.000 0.473 1044 E N 0.762 120.861 120.200 -0.169 0.000 2.478 1044 E HA -0.012 4.339 4.350 0.002 0.000 0.194 1044 E C 1.136 177.643 176.600 -0.156 0.000 1.045 1044 E CA 0.077 56.409 56.400 -0.113 0.000 0.868 1044 E CB 0.365 30.019 29.700 -0.077 0.000 0.885 1044 E HN 0.281 nan 8.360 nan 0.000 0.505 1045 Q N 0.584 120.233 119.800 -0.252 0.000 2.444 1045 Q HA 0.032 4.373 4.340 0.002 0.000 0.206 1045 Q C 0.555 176.521 176.000 -0.057 0.000 0.948 1045 Q CA 0.503 56.169 55.803 -0.229 0.000 0.946 1045 Q CB 0.183 28.695 28.738 -0.376 0.000 1.027 1045 Q HN 0.297 nan 8.270 nan 0.000 0.513 1046 R N -0.942 119.553 120.500 -0.008 0.000 2.831 1046 R HA 0.454 4.795 4.340 0.002 0.000 0.266 1046 R C -2.375 173.968 176.300 0.072 0.000 1.051 1046 R CA -1.291 54.870 56.100 0.101 0.000 0.943 1046 R CB 0.573 30.966 30.300 0.155 0.000 1.228 1046 R HN -0.285 nan 8.270 nan 0.000 0.467 1047 P HA 0.137 nan 4.420 nan 0.000 0.236 1047 P C -0.078 177.242 177.300 0.034 0.000 1.174 1047 P CA 0.365 63.481 63.100 0.026 0.000 0.840 1047 P CB 0.504 32.188 31.700 -0.026 0.000 0.947 1048 F N 1.302 121.267 119.950 0.025 0.000 2.515 1048 F HA 0.227 4.756 4.527 0.002 0.000 0.353 1048 F C 0.653 176.515 175.800 0.105 0.000 1.213 1048 F CA -1.315 56.722 58.000 0.061 0.000 1.194 1048 F CB -0.313 38.669 39.000 -0.030 0.000 1.488 1048 F HN -0.207 nan 8.300 nan 0.000 0.619 1049 F N 7.825 127.903 119.950 0.213 0.000 2.433 1049 F HA -0.019 4.509 4.527 0.002 0.000 0.398 1049 F C -1.846 174.045 175.800 0.152 0.000 1.002 1049 F CA -1.723 56.364 58.000 0.144 0.000 1.053 1049 F CB -0.027 39.045 39.000 0.119 0.000 0.928 1049 F HN 0.193 nan 8.300 nan 0.000 0.529 1050 P HA 0.187 nan 4.420 nan 0.000 0.287 1050 P C -0.510 176.722 177.300 -0.114 0.000 1.281 1050 P CA -0.271 62.781 63.100 -0.080 0.000 0.781 1050 P CB 1.224 32.861 31.700 -0.104 0.000 0.903 1051 I N 3.880 124.545 120.570 0.159 0.000 2.696 1051 I HA 0.132 4.304 4.170 0.002 0.000 0.284 1051 I C 0.806 177.031 176.117 0.181 0.000 1.129 1051 I CA -0.161 61.290 61.300 0.252 0.000 1.410 1051 I CB 0.154 38.332 38.000 0.297 0.000 1.399 1051 I HN 0.307 nan 8.210 nan 0.000 0.579 1052 L N 7.354 128.698 121.223 0.200 0.000 2.362 1052 L HA 0.672 5.013 4.340 0.002 0.000 0.271 1052 L C -1.518 175.514 176.870 0.270 0.000 1.002 1052 L CA -0.454 54.483 54.840 0.162 0.000 0.818 1052 L CB 1.448 43.569 42.059 0.104 0.000 1.298 1052 L HN 0.555 nan 8.230 nan 0.000 0.420 1053 Y N 2.743 123.105 120.300 0.104 0.000 2.362 1053 Y HA 0.526 5.077 4.550 0.002 0.000 0.326 1053 Y C -0.571 175.384 175.900 0.091 0.000 1.083 1053 Y CA -1.138 57.014 58.100 0.087 0.000 1.073 1053 Y CB 0.571 39.078 38.460 0.078 0.000 1.211 1053 Y HN 0.234 nan 8.280 nan 0.000 0.433 1054 V N 4.647 124.669 119.914 0.180 0.000 3.217 1054 V HA -0.162 3.959 4.120 0.002 0.000 0.264 1054 V C 2.107 178.273 176.094 0.121 0.000 1.135 1054 V CA 1.221 63.581 62.300 0.101 0.000 1.142 1054 V CB -0.797 31.073 31.823 0.078 0.000 0.754 1054 V HN 0.984 nan 8.190 nan 0.000 0.484 1055 I N 1.112 121.831 120.570 0.248 0.000 2.442 1055 I HA -0.316 3.855 4.170 0.002 0.000 0.261 1055 I C 1.948 178.176 176.117 0.184 0.000 1.132 1055 I CA 1.497 62.932 61.300 0.224 0.000 1.412 1055 I CB -0.801 37.386 38.000 0.311 0.000 1.091 1055 I HN 0.453 nan 8.210 nan 0.000 0.448 1056 R N 2.386 122.992 120.500 0.177 0.000 2.606 1056 R HA 0.061 4.403 4.340 0.002 0.000 0.276 1056 R C 0.014 176.364 176.300 0.084 0.000 1.416 1056 R CA 0.623 56.806 56.100 0.138 0.000 1.064 1056 R CB -1.489 28.823 30.300 0.021 0.000 1.117 1056 R HN 0.264 nan 8.270 nan 0.000 0.543 1057 D N 0.075 120.528 120.400 0.089 0.000 2.539 1057 D HA 0.105 4.746 4.640 0.002 0.000 0.280 1057 D C -0.063 176.376 176.300 0.231 0.000 1.208 1057 D CA -0.421 53.597 54.000 0.030 0.000 1.088 1057 D CB 1.064 41.828 40.800 -0.059 0.000 1.149 1057 D HN 0.603 nan 8.370 nan 0.000 0.596 1058 E N -0.646 119.747 120.200 0.322 0.000 2.437 1058 E HA 0.088 4.440 4.350 0.002 0.000 0.195 1058 E C -0.391 176.366 176.600 0.260 0.000 1.029 1058 E CA -0.110 56.527 56.400 0.395 0.000 0.948 1058 E CB 0.014 29.932 29.700 0.364 0.000 1.082 1058 E HN 0.316 nan 8.360 nan 0.000 0.456 1059 S N -1.301 114.516 115.700 0.195 0.000 2.762 1059 S HA 0.118 4.589 4.470 0.002 0.000 0.217 1059 S C -1.928 172.722 174.600 0.084 0.000 0.752 1059 S CA -0.633 57.644 58.200 0.129 0.000 1.029 1059 S CB 0.128 63.402 63.200 0.123 0.000 1.502 1059 S HN 0.145 nan 8.310 nan 0.000 0.510 1060 P HA 0.352 nan 4.420 nan 0.000 0.261 1060 P C 0.486 177.821 177.300 0.059 0.000 1.268 1060 P CA 0.135 63.271 63.100 0.060 0.000 0.833 1060 P CB -0.349 31.397 31.700 0.077 0.000 1.231 1061 M N -0.494 119.149 119.600 0.072 0.000 2.360 1061 M HA -0.194 4.287 4.480 0.002 0.000 0.202 1061 M C -0.225 176.116 176.300 0.068 0.000 0.390 1061 M CA 1.074 56.409 55.300 0.058 0.000 0.470 1061 M CB -2.078 30.541 32.600 0.030 0.000 1.637 1061 M HN 0.070 nan 8.290 nan 0.000 0.885 1062 K N -1.413 119.052 120.400 0.108 0.000 2.637 1062 K HA 0.396 4.717 4.320 0.002 0.000 0.184 1062 K C 0.654 177.376 176.600 0.204 0.000 1.200 1062 K CA 0.407 56.782 56.287 0.146 0.000 1.122 1062 K CB 0.914 33.509 32.500 0.158 0.000 0.926 1062 K HN 0.347 nan 8.250 nan 0.000 0.535 1063 A N 2.107 125.031 122.820 0.173 0.000 2.478 1063 A HA -0.037 4.284 4.320 0.002 0.000 0.239 1063 A C 0.870 178.564 177.584 0.183 0.000 1.480 1063 A CA 0.152 52.306 52.037 0.195 0.000 1.308 1063 A CB -1.126 17.971 19.000 0.161 0.000 0.899 1063 A HN 0.485 nan 8.150 nan 0.000 0.600 1064 N N -1.209 117.601 118.700 0.183 0.000 2.567 1064 N HA -0.107 4.635 4.740 0.002 0.000 0.195 1064 N C 0.765 176.354 175.510 0.133 0.000 1.242 1064 N CA 0.430 53.558 53.050 0.130 0.000 0.884 1064 N CB -0.755 37.806 38.487 0.124 0.000 1.007 1064 N HN 0.477 nan 8.380 nan 0.000 0.450 1065 F N 0.985 120.934 119.950 -0.002 0.000 2.186 1065 F HA 0.079 4.607 4.527 0.002 0.000 0.299 1065 F C 1.617 177.350 175.800 -0.112 0.000 1.090 1065 F CA 1.093 59.063 58.000 -0.050 0.000 1.307 1065 F CB 0.054 39.030 39.000 -0.040 0.000 1.019 1065 F HN 0.066 nan 8.300 nan 0.000 0.489 1066 L N -0.203 121.042 121.223 0.036 0.000 2.093 1066 L HA -0.202 4.139 4.340 0.002 0.000 0.208 1066 L C 2.353 179.145 176.870 -0.130 0.000 1.085 1066 L CA 1.124 55.908 54.840 -0.093 0.000 0.755 1066 L CB -1.002 41.033 42.059 -0.040 0.000 0.904 1066 L HN 0.171 nan 8.230 nan 0.000 0.435 1067 Q N 0.151 119.903 119.800 -0.080 0.000 2.376 1067 Q HA -0.171 4.171 4.340 0.002 0.000 0.211 1067 Q C 1.477 177.401 176.000 -0.128 0.000 0.986 1067 Q CA 0.957 56.713 55.803 -0.079 0.000 0.886 1067 Q CB -0.114 28.601 28.738 -0.039 0.000 0.927 1067 Q HN 0.544 nan 8.270 nan 0.000 0.457 1068 N N -0.463 118.117 118.700 -0.201 0.000 2.412 1068 N HA 0.016 4.757 4.740 0.002 0.000 0.184 1068 N C 0.106 175.439 175.510 -0.295 0.000 1.101 1068 N CA 0.362 53.260 53.050 -0.255 0.000 0.881 1068 N CB 0.351 38.645 38.487 -0.322 0.000 0.969 1068 N HN 0.229 nan 8.380 nan 0.000 0.459 1069 M N 2.016 121.449 119.600 -0.278 0.000 3.596 1069 M HA 0.063 4.544 4.480 0.002 0.000 0.212 1069 M C 1.123 177.317 176.300 -0.177 0.000 1.519 1069 M CA -0.092 55.055 55.300 -0.254 0.000 1.670 1069 M CB -1.143 31.319 32.600 -0.231 0.000 1.113 1069 M HN 0.056 nan 8.290 nan 0.000 0.565 1070 I N -1.365 119.098 120.570 -0.178 0.000 2.800 1070 I HA -0.158 4.013 4.170 0.002 0.000 0.266 1070 I C 1.468 177.544 176.117 -0.067 0.000 1.249 1070 I CA 1.599 62.829 61.300 -0.117 0.000 1.458 1070 I CB -0.575 37.363 38.000 -0.104 0.000 1.093 1070 I HN 0.419 nan 8.210 nan 0.000 0.466 1071 E N 0.842 121.000 120.200 -0.070 0.000 2.318 1071 E HA -0.009 4.342 4.350 0.002 0.000 0.193 1071 E C 0.225 176.849 176.600 0.039 0.000 0.998 1071 E CA 0.226 56.631 56.400 0.009 0.000 0.859 1071 E CB 0.051 29.726 29.700 -0.042 0.000 0.812 1071 E HN 0.626 nan 8.360 nan 0.000 0.492 1072 D N 1.200 121.588 120.400 -0.020 0.000 2.383 1072 D HA 0.081 4.722 4.640 0.002 0.000 0.248 1072 D C 0.498 176.798 176.300 -0.001 0.000 1.170 1072 D CA -0.095 53.898 54.000 -0.011 0.000 0.977 1072 D CB 0.734 41.505 40.800 -0.049 0.000 1.120 1072 D HN 0.057 nan 8.370 nan 0.000 0.481 1073 R N -1.200 119.305 120.500 0.009 0.000 2.532 1073 R HA 0.640 4.981 4.340 0.002 0.000 0.272 1073 R C -0.160 176.137 176.300 -0.005 0.000 1.032 1073 R CA -0.628 55.478 56.100 0.010 0.000 1.089 1073 R CB 1.150 31.466 30.300 0.028 0.000 1.098 1073 R HN 0.301 nan 8.270 nan 0.000 0.526 1074 T N -0.605 113.947 114.554 -0.004 0.000 2.864 1074 T HA 0.147 4.498 4.350 0.002 0.000 0.289 1074 T C 0.309 175.011 174.700 0.005 0.000 1.082 1074 T CA -0.627 61.469 62.100 -0.006 0.000 1.009 1074 T CB 1.814 70.674 68.868 -0.013 0.000 1.234 1074 T HN 0.749 nan 8.240 nan 0.000 0.526 1075 E N 0.458 120.663 120.200 0.009 0.000 2.333 1075 E HA -0.015 4.336 4.350 0.002 0.000 0.198 1075 E C 1.402 178.017 176.600 0.026 0.000 1.007 1075 E CA 1.397 57.809 56.400 0.019 0.000 0.845 1075 E CB 0.071 29.786 29.700 0.025 0.000 0.766 1075 E HN 0.538 nan 8.360 nan 0.000 0.507 1076 S N -2.182 113.530 115.700 0.022 0.000 2.846 1076 S HA 0.695 5.166 4.470 0.002 0.000 0.249 1076 S C 0.164 174.768 174.600 0.005 0.000 1.028 1076 S CA -0.168 58.045 58.200 0.021 0.000 1.043 1076 S CB 0.949 64.171 63.200 0.037 0.000 0.990 1076 S HN 0.132 nan 8.310 nan 0.000 0.564 1077 A N 1.088 123.907 122.820 -0.002 0.000 2.589 1077 A HA 0.684 5.005 4.320 0.002 0.000 0.296 1077 A C -0.791 176.786 177.584 -0.012 0.000 1.062 1077 A CA -0.868 51.158 52.037 -0.019 0.000 0.686 1077 A CB 0.765 19.743 19.000 -0.037 0.000 1.282 1077 A HN 0.332 nan 8.150 nan 0.000 0.404 1078 L N 1.632 122.845 121.223 -0.016 0.000 2.464 1078 L HA 0.404 4.745 4.340 0.002 0.000 0.264 1078 L C 1.316 178.198 176.870 0.020 0.000 1.199 1078 L CA -0.298 54.552 54.840 0.016 0.000 0.818 1078 L CB 1.024 43.114 42.059 0.052 0.000 1.102 1078 L HN 0.952 nan 8.230 nan 0.000 0.473 1079 S N -0.126 115.612 115.700 0.064 0.000 2.686 1079 S HA 0.071 4.542 4.470 0.002 0.000 0.270 1079 S C 0.745 175.443 174.600 0.162 0.000 1.194 1079 S CA -0.436 57.824 58.200 0.099 0.000 0.990 1079 S CB 0.521 63.795 63.200 0.124 0.000 1.029 1079 S HN 0.567 nan 8.310 nan 0.000 0.560 1080 Y N 0.597 120.945 120.300 0.081 0.000 2.181 1080 Y HA -0.149 4.402 4.550 0.002 0.000 0.288 1080 Y C 2.201 178.221 175.900 0.199 0.000 1.146 1080 Y CA 1.792 59.966 58.100 0.124 0.000 1.164 1080 Y CB -0.876 37.640 38.460 0.094 0.000 0.982 1080 Y HN 0.818 nan 8.280 nan 0.000 0.515 1081 Y N 1.391 121.678 120.300 -0.021 0.000 2.181 1081 Y HA -0.200 4.351 4.550 0.002 0.000 0.288 1081 Y C 2.259 178.107 175.900 -0.087 0.000 1.146 1081 Y CA 2.219 60.250 58.100 -0.116 0.000 1.164 1081 Y CB -0.503 37.951 38.460 -0.010 0.000 0.982 1081 Y HN 0.298 nan 8.280 nan 0.000 0.515 1082 E N -1.078 119.104 120.200 -0.031 0.000 2.077 1082 E HA -0.242 4.109 4.350 0.002 0.000 0.193 1082 E C 2.041 178.606 176.600 -0.059 0.000 0.989 1082 E CA 1.317 57.670 56.400 -0.077 0.000 0.800 1082 E CB -0.532 29.190 29.700 0.037 0.000 0.746 1082 E HN 0.457 nan 8.360 nan 0.000 0.452 1083 F N 1.498 121.343 119.950 -0.174 0.000 2.161 1083 F HA -0.188 4.340 4.527 0.002 0.000 0.300 1083 F C 1.907 177.577 175.800 -0.216 0.000 1.089 1083 F CA 1.244 59.137 58.000 -0.180 0.000 1.282 1083 F CB -0.147 38.760 39.000 -0.155 0.000 1.010 1083 F HN -0.061 nan 8.300 nan 0.000 0.485 1084 L N -1.114 119.903 121.223 -0.343 0.000 2.056 1084 L HA -0.218 4.123 4.340 0.002 0.000 0.207 1084 L C 2.382 179.021 176.870 -0.384 0.000 1.078 1084 L CA 0.488 55.062 54.840 -0.443 0.000 0.749 1084 L CB -0.715 41.049 42.059 -0.492 0.000 0.901 1084 L HN 0.148 nan 8.230 nan 0.000 0.433 1085 L N -0.449 120.524 121.223 -0.418 0.000 2.042 1085 L HA -0.277 4.064 4.340 0.002 0.000 0.210 1085 L C 2.678 179.409 176.870 -0.231 0.000 1.076 1085 L CA 1.830 56.460 54.840 -0.350 0.000 0.749 1085 L CB -1.231 40.594 42.059 -0.389 0.000 0.893 1085 L HN 0.353 nan 8.230 nan 0.000 0.432 1086 H N -0.476 118.420 119.070 -0.291 0.000 2.321 1086 H HA -0.126 4.431 4.556 0.002 0.000 0.300 1086 H C 2.208 177.357 175.328 -0.299 0.000 1.087 1086 H CA 1.703 57.600 56.048 -0.252 0.000 1.319 1086 H CB 0.214 29.845 29.762 -0.219 0.000 1.379 1086 H HN 0.146 nan 8.280 nan 0.000 0.501 1087 I N 1.452 121.895 120.570 -0.212 0.000 2.179 1087 I HA -0.276 3.895 4.170 0.002 0.000 0.242 1087 I C 2.751 178.724 176.117 -0.239 0.000 1.088 1087 I CA 1.322 62.465 61.300 -0.261 0.000 1.357 1087 I CB -1.326 36.436 38.000 -0.396 0.000 1.051 1087 I HN 0.409 nan 8.210 nan 0.000 0.409 1088 Q N 0.749 120.411 119.800 -0.230 0.000 2.135 1088 Q HA -0.272 4.069 4.340 0.002 0.000 0.204 1088 Q C 2.277 178.173 176.000 -0.174 0.000 0.981 1088 Q CA 1.785 57.481 55.803 -0.178 0.000 0.856 1088 Q CB -0.096 28.543 28.738 -0.166 0.000 0.902 1088 Q HN 0.544 nan 8.270 nan 0.000 0.425 1089 Q N -0.698 118.972 119.800 -0.217 0.000 2.124 1089 Q HA -0.202 4.140 4.340 0.002 0.000 0.202 1089 Q C 1.998 177.871 176.000 -0.211 0.000 0.977 1089 Q CA 1.354 57.030 55.803 -0.212 0.000 0.850 1089 Q CB 0.193 28.774 28.738 -0.262 0.000 0.901 1089 Q HN 0.462 nan 8.270 nan 0.000 0.429 1090 Q N -0.636 119.009 119.800 -0.258 0.000 2.163 1090 Q HA -0.053 4.288 4.340 0.002 0.000 0.198 1090 Q C 2.255 178.178 176.000 -0.128 0.000 0.954 1090 Q CA 0.879 56.560 55.803 -0.202 0.000 0.851 1090 Q CB -0.016 28.586 28.738 -0.227 0.000 0.928 1090 Q HN 0.273 nan 8.270 nan 0.000 0.459 1091 V N 2.776 122.617 119.914 -0.122 0.000 2.332 1091 V HA -0.262 3.859 4.120 0.002 0.000 0.248 1091 V C 1.151 177.206 176.094 -0.065 0.000 1.055 1091 V CA 2.068 64.321 62.300 -0.078 0.000 1.038 1091 V CB -0.658 31.121 31.823 -0.074 0.000 0.651 1091 V HN 0.535 nan 8.190 nan 0.000 0.450 1092 N N 0.095 118.749 118.700 -0.077 0.000 2.321 1092 N HA 0.094 4.836 4.740 0.002 0.000 0.242 1092 N C 0.307 175.778 175.510 -0.064 0.000 1.141 1092 N CA -0.437 52.575 53.050 -0.063 0.000 0.864 1092 N CB -0.336 38.115 38.487 -0.060 0.000 1.100 1092 N HN 0.654 nan 8.380 nan 0.000 0.510 1093 K N 0.000 120.357 120.400 -0.072 0.000 2.780 1093 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1093 K CA 0.000 56.245 56.287 -0.069 0.000 0.838 1093 K CB 0.000 32.455 32.500 -0.075 0.000 1.064 1093 K HN 0.000 nan 8.250 nan 0.000 0.543