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 3egd_1_B DATA FIRST_RESID 346 DATA SEQUENCE EGLRVVNLLQ ERNMLPSTPL KPPVPNLHED IQKLNCNPEL FRCTLTSIPQ DATA SEQUENCE TQALLNKAKL PLGLLLHPFK DLVQLPVVTS STIVRCRSCR TYINPFVSFL DATA SEQUENCE DQRRWKCNLC YRVNDVPEEF LXXXXXXXXX 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 ADESPMKANF 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 0.000 176.377 176.600 -0.372 0.000 1.382 346 E CA 0.000 56.313 56.400 -0.144 0.000 0.976 346 E CB 0.000 29.650 29.700 -0.084 0.000 0.812 347 G N 0.659 109.268 108.800 -0.318 0.000 3.162 347 G HA2 0.162 4.127 3.960 0.008 0.000 0.599 347 G HA3 0.162 4.127 3.960 0.008 0.000 0.599 347 G C -0.877 173.849 174.900 -0.291 0.000 1.335 347 G CA -0.308 44.548 45.100 -0.407 0.000 1.091 347 G HN 0.378 nan 8.290 nan 0.000 0.570 348 L N 3.332 124.476 121.223 -0.131 0.000 2.741 348 L HA 0.453 4.798 4.340 0.008 0.000 0.237 348 L C 1.486 178.357 176.870 0.002 0.000 1.178 348 L CA -0.373 54.453 54.840 -0.025 0.000 0.973 348 L CB -0.294 41.766 42.059 0.002 0.000 1.255 348 L HN 0.700 nan 8.230 nan 0.000 0.498 349 R N -0.549 119.920 120.500 -0.051 0.000 2.694 349 R HA 0.364 4.709 4.340 0.008 0.000 0.268 349 R C -0.687 175.667 176.300 0.090 0.000 1.061 349 R CA -0.580 55.522 56.100 0.004 0.000 1.133 349 R CB 0.390 30.665 30.300 -0.040 0.000 1.020 349 R HN 0.043 nan 8.270 nan 0.000 0.475 350 V N 2.600 122.572 119.914 0.097 0.000 2.785 350 V HA 0.289 4.414 4.120 0.008 0.000 0.300 350 V C 0.073 176.234 176.094 0.113 0.000 1.062 350 V CA -0.551 61.825 62.300 0.126 0.000 1.029 350 V CB 1.686 33.588 31.823 0.131 0.000 1.024 350 V HN 0.598 nan 8.190 nan 0.000 0.477 351 V N 2.636 122.610 119.914 0.101 0.000 2.789 351 V HA 0.457 4.582 4.120 0.008 0.000 0.311 351 V C -0.337 175.794 176.094 0.062 0.000 1.073 351 V CA -0.870 61.483 62.300 0.088 0.000 0.921 351 V CB 2.185 34.062 31.823 0.090 0.000 1.009 351 V HN 0.853 nan 8.190 nan 0.000 0.426 352 N N 3.267 122.002 118.700 0.057 0.000 2.609 352 N HA 0.343 5.088 4.740 0.008 0.000 0.234 352 N C 0.784 176.325 175.510 0.052 0.000 1.001 352 N CA -0.317 52.761 53.050 0.047 0.000 0.926 352 N CB 1.156 39.668 38.487 0.043 0.000 1.130 352 N HN 0.688 nan 8.380 nan 0.000 0.510 353 L N 2.461 123.712 121.223 0.047 0.000 2.263 353 L HA -0.154 4.191 4.340 0.008 0.000 0.216 353 L C 1.740 178.666 176.870 0.094 0.000 1.111 353 L CA 0.990 55.873 54.840 0.070 0.000 0.773 353 L CB -0.069 42.021 42.059 0.052 0.000 0.906 353 L HN 0.522 nan 8.230 nan 0.000 0.439 354 L N -1.173 120.095 121.223 0.074 0.000 2.418 354 L HA -0.081 4.264 4.340 0.008 0.000 0.218 354 L C 2.406 179.343 176.870 0.113 0.000 1.125 354 L CA 0.388 55.298 54.840 0.118 0.000 0.835 354 L CB -0.130 41.978 42.059 0.082 0.000 0.953 354 L HN 0.322 nan 8.230 nan 0.000 0.454 355 Q N -0.832 119.014 119.800 0.077 0.000 2.442 355 Q HA 0.014 4.359 4.340 0.008 0.000 0.228 355 Q C 1.884 177.913 176.000 0.049 0.000 0.902 355 Q CA 0.440 56.276 55.803 0.054 0.000 0.933 355 Q CB 0.383 29.147 28.738 0.042 0.000 1.071 355 Q HN 0.392 nan 8.270 nan 0.000 0.562 356 E N 1.326 121.562 120.200 0.059 0.000 1.998 356 E HA -0.143 4.212 4.350 0.008 0.000 0.196 356 E C 0.614 177.246 176.600 0.053 0.000 1.003 356 E CA 0.554 56.985 56.400 0.052 0.000 0.829 356 E CB -0.184 29.549 29.700 0.055 0.000 0.777 356 E HN 0.215 nan 8.360 nan 0.000 0.460 357 R N 0.221 120.775 120.500 0.090 0.000 3.875 357 R HA -0.156 4.189 4.340 0.008 0.000 0.321 357 R C -0.402 175.923 176.300 0.040 0.000 1.196 357 R CA 0.733 56.905 56.100 0.120 0.000 0.868 357 R CB -1.117 29.237 30.300 0.090 0.000 1.333 357 R HN 0.186 nan 8.270 nan 0.000 0.522 358 N N -0.630 118.076 118.700 0.011 0.000 2.361 358 N HA 0.013 4.758 4.740 0.008 0.000 0.253 358 N C 0.538 176.031 175.510 -0.028 0.000 1.413 358 N CA 0.509 53.548 53.050 -0.019 0.000 0.821 358 N CB 0.377 38.861 38.487 -0.004 0.000 1.380 358 N HN 0.081 nan 8.380 nan 0.000 0.493 359 M N -0.575 118.998 119.600 -0.044 0.000 2.108 359 M HA -0.040 4.445 4.480 0.008 0.000 0.261 359 M C 0.963 177.207 176.300 -0.094 0.000 1.066 359 M CA 1.161 56.420 55.300 -0.069 0.000 1.107 359 M CB -1.003 31.535 32.600 -0.105 0.000 1.356 359 M HN 0.090 nan 8.290 nan 0.000 0.406 360 L N 4.309 125.460 121.223 -0.120 0.000 2.667 360 L HA 0.093 4.437 4.340 0.008 0.000 0.278 360 L C -2.004 174.849 176.870 -0.028 0.000 1.217 360 L CA -0.874 53.912 54.840 -0.090 0.000 0.935 360 L CB -0.361 41.656 42.059 -0.069 0.000 1.193 360 L HN 0.164 nan 8.230 nan 0.000 0.493 361 P HA 0.111 nan 4.420 nan 0.000 0.274 361 P C -0.052 177.278 177.300 0.051 0.000 1.237 361 P CA -0.252 62.867 63.100 0.032 0.000 0.793 361 P CB 0.855 32.582 31.700 0.045 0.000 0.977 362 S N -1.010 114.729 115.700 0.065 0.000 2.558 362 S HA 0.043 4.518 4.470 0.008 0.000 0.217 362 S C 0.830 175.502 174.600 0.121 0.000 0.975 362 S CA 0.132 58.381 58.200 0.081 0.000 0.912 362 S CB -0.932 62.312 63.200 0.074 0.000 0.776 362 S HN 0.674 nan 8.310 nan 0.000 0.526 363 T N 0.006 114.631 114.554 0.118 0.000 2.940 363 T HA 0.670 5.025 4.350 0.008 0.000 0.288 363 T C -3.303 171.485 174.700 0.147 0.000 1.033 363 T CA -2.387 59.802 62.100 0.149 0.000 1.033 363 T CB 0.889 69.833 68.868 0.126 0.000 1.079 363 T HN -0.100 nan 8.240 nan 0.000 0.496 364 P HA 0.180 nan 4.420 nan 0.000 0.266 364 P C -0.295 177.069 177.300 0.108 0.000 1.195 364 P CA -0.390 62.799 63.100 0.148 0.000 0.768 364 P CB 0.291 32.092 31.700 0.168 0.000 0.838 365 L N 3.023 124.298 121.223 0.086 0.000 2.426 365 L HA 0.162 4.507 4.340 0.008 0.000 0.271 365 L C 0.996 177.900 176.870 0.056 0.000 1.169 365 L CA 0.309 55.192 54.840 0.072 0.000 0.836 365 L CB 0.134 42.239 42.059 0.076 0.000 1.112 365 L HN 0.317 nan 8.230 nan 0.000 0.465 366 K N 3.701 124.136 120.400 0.058 0.000 2.259 366 K HA 0.459 4.784 4.320 0.008 0.000 0.252 366 K C -2.254 174.371 176.600 0.040 0.000 0.936 366 K CA -1.707 54.610 56.287 0.049 0.000 0.810 366 K CB 1.613 34.150 32.500 0.061 0.000 1.143 366 K HN 0.384 nan 8.250 nan 0.000 0.427 367 P HA 0.139 nan 4.420 nan 0.000 0.268 367 P C -2.563 174.756 177.300 0.032 0.000 1.205 367 P CA -0.957 62.156 63.100 0.023 0.000 0.771 367 P CB -0.221 31.489 31.700 0.018 0.000 0.858 368 P HA 0.036 nan 4.420 nan 0.000 0.270 368 P C -0.653 176.665 177.300 0.031 0.000 1.221 368 P CA 0.015 63.136 63.100 0.034 0.000 0.788 368 P CB 0.279 31.994 31.700 0.025 0.000 0.904 369 V N 2.864 122.798 119.914 0.033 0.000 2.357 369 V HA 0.272 4.397 4.120 0.008 0.000 0.284 369 V C -2.085 174.022 176.094 0.022 0.000 1.018 369 V CA -1.754 60.563 62.300 0.029 0.000 0.841 369 V CB 0.920 32.762 31.823 0.032 0.000 0.991 369 V HN 0.556 nan 8.190 nan 0.000 0.437 370 P HA -0.019 nan 4.420 nan 0.000 0.264 370 P C 0.008 177.315 177.300 0.013 0.000 1.179 370 P CA 0.144 63.248 63.100 0.006 0.000 0.763 370 P CB 0.270 31.963 31.700 -0.012 0.000 0.806 371 N N 3.048 121.757 118.700 0.015 0.000 2.971 371 N HA 0.101 4.846 4.740 0.008 0.000 0.294 371 N C -0.847 174.679 175.510 0.026 0.000 1.210 371 N CA 0.264 53.327 53.050 0.021 0.000 1.157 371 N CB -0.837 37.665 38.487 0.024 0.000 1.450 371 N HN 0.284 nan 8.380 nan 0.000 0.527 372 L N 0.442 121.682 121.223 0.029 0.000 2.303 372 L HA 0.408 4.753 4.340 0.008 0.000 0.266 372 L C 0.502 177.421 176.870 0.082 0.000 1.011 372 L CA -1.429 53.444 54.840 0.054 0.000 0.818 372 L CB 1.026 43.110 42.059 0.042 0.000 1.326 372 L HN 0.372 nan 8.230 nan 0.000 0.435 373 H N 0.089 119.178 119.070 0.032 0.000 2.895 373 H HA -0.083 4.478 4.556 0.008 0.000 0.371 373 H C 0.834 176.191 175.328 0.048 0.000 1.219 373 H CA 0.909 56.981 56.048 0.039 0.000 1.431 373 H CB 0.773 30.562 29.762 0.045 0.000 1.414 373 H HN 0.608 nan 8.280 nan 0.000 0.617 374 E N 0.929 120.758 120.200 -0.619 0.000 2.031 374 E HA -0.210 4.145 4.350 0.008 0.000 0.193 374 E C 1.292 177.856 176.600 -0.060 0.000 0.994 374 E CA 1.520 57.737 56.400 -0.304 0.000 0.800 374 E CB 0.086 29.569 29.700 -0.361 0.000 0.752 374 E HN 0.737 nan 8.360 nan 0.000 0.447 375 D N 0.126 120.573 120.400 0.078 0.000 2.182 375 D HA -0.161 4.484 4.640 0.008 0.000 0.201 375 D C 1.941 178.374 176.300 0.221 0.000 0.986 375 D CA 0.950 55.078 54.000 0.213 0.000 0.847 375 D CB -0.069 40.917 40.800 0.310 0.000 0.942 375 D HN 0.332 nan 8.370 nan 0.000 0.467 376 I N 0.213 120.947 120.570 0.273 0.000 2.296 376 I HA -0.203 3.972 4.170 0.008 0.000 0.242 376 I C 2.429 178.705 176.117 0.264 0.000 1.087 376 I CA 0.456 61.937 61.300 0.303 0.000 1.393 376 I CB -0.232 37.933 38.000 0.276 0.000 1.093 376 I HN -0.135 nan 8.210 nan 0.000 0.421 377 Q N 2.483 122.378 119.800 0.157 0.000 2.152 377 Q HA -0.249 4.096 4.340 0.008 0.000 0.206 377 Q C 1.957 178.031 176.000 0.124 0.000 0.985 377 Q CA 2.084 57.954 55.803 0.111 0.000 0.863 377 Q CB -0.425 28.347 28.738 0.057 0.000 0.904 377 Q HN 0.618 nan 8.270 nan 0.000 0.422 378 K N -0.887 119.581 120.400 0.114 0.000 2.362 378 K HA -0.070 4.255 4.320 0.008 0.000 0.200 378 K C 1.432 178.101 176.600 0.115 0.000 1.046 378 K CA 1.266 57.610 56.287 0.096 0.000 0.952 378 K CB -0.098 32.445 32.500 0.071 0.000 0.753 378 K HN 0.294 nan 8.250 nan 0.000 0.466 379 L N 0.391 121.714 121.223 0.166 0.000 2.590 379 L HA 0.147 4.492 4.340 0.008 0.000 0.227 379 L C 0.591 177.622 176.870 0.268 0.000 1.099 379 L CA -0.601 54.325 54.840 0.144 0.000 0.872 379 L CB -0.309 41.778 42.059 0.046 0.000 1.088 379 L HN 0.166 nan 8.230 nan 0.000 0.479 380 N N 0.528 119.441 118.700 0.355 0.000 2.305 380 N HA -0.098 4.647 4.740 0.008 0.000 0.232 380 N C -0.098 175.564 175.510 0.253 0.000 1.274 380 N CA 0.171 53.442 53.050 0.368 0.000 0.870 380 N CB 0.672 39.255 38.487 0.160 0.000 1.105 380 N HN 0.097 nan 8.380 nan 0.000 0.436 381 C N 2.431 121.878 119.300 0.244 0.000 2.676 381 C HA 0.121 4.586 4.460 0.008 0.000 0.416 381 C C 1.001 176.077 174.990 0.143 0.000 1.299 381 C CA -0.693 58.451 59.018 0.209 0.000 2.048 381 C CB -1.033 26.859 27.740 0.254 0.000 2.713 381 C HN 0.775 nan 8.230 nan 0.000 0.624 382 N N 4.559 123.332 118.700 0.121 0.000 2.412 382 N HA 0.097 4.842 4.740 0.008 0.000 0.258 382 N C -1.196 174.362 175.510 0.079 0.000 1.236 382 N CA -0.655 52.444 53.050 0.081 0.000 0.882 382 N CB 0.933 39.452 38.487 0.054 0.000 1.066 382 N HN 0.555 nan 8.380 nan 0.000 0.465 383 P HA -0.104 nan 4.420 nan 0.000 0.230 383 P C 0.014 177.348 177.300 0.055 0.000 1.158 383 P CA 1.171 64.309 63.100 0.064 0.000 0.769 383 P CB 0.252 31.979 31.700 0.045 0.000 0.807 384 E N -0.665 119.557 120.200 0.036 0.000 2.427 384 E HA 0.033 4.388 4.350 0.008 0.000 0.196 384 E C 1.870 178.496 176.600 0.044 0.000 1.028 384 E CA 0.371 56.787 56.400 0.028 0.000 0.864 384 E CB -0.138 29.564 29.700 0.004 0.000 0.813 384 E HN 0.312 nan 8.360 nan 0.000 0.514 385 L N -0.804 120.432 121.223 0.022 0.000 2.262 385 L HA 0.183 4.528 4.340 0.008 0.000 0.197 385 L C 0.418 177.306 176.870 0.030 0.000 1.073 385 L CA 0.204 55.018 54.840 -0.043 0.000 0.800 385 L CB 0.353 42.298 42.059 -0.190 0.000 0.987 385 L HN 0.016 nan 8.230 nan 0.000 0.470 386 F N 0.463 120.384 119.950 -0.049 0.000 2.565 386 F HA 0.647 5.179 4.527 0.008 0.000 0.313 386 F C -0.124 175.675 175.800 -0.001 0.000 1.091 386 F CA -1.288 56.707 58.000 -0.008 0.000 0.915 386 F CB 1.622 40.637 39.000 0.026 0.000 1.208 386 F HN -0.070 nan 8.300 nan 0.000 0.453 387 R N 3.169 123.949 120.500 0.466 0.000 2.728 387 R HA 0.684 5.029 4.340 0.008 0.000 0.274 387 R C -2.323 174.012 176.300 0.059 0.000 1.032 387 R CA -0.625 55.562 56.100 0.146 0.000 0.866 387 R CB 1.205 31.558 30.300 0.089 0.000 1.263 387 R HN 0.810 nan 8.270 nan 0.000 0.475 388 C N 1.799 121.076 119.300 -0.038 0.000 2.634 388 C HA 0.518 4.983 4.460 0.008 0.000 0.313 388 C C 1.778 176.721 174.990 -0.077 0.000 1.198 388 C CA 0.300 59.257 59.018 -0.100 0.000 1.605 388 C CB 1.827 29.465 27.740 -0.170 0.000 2.196 388 C HN 0.991 nan 8.230 nan 0.000 0.486 389 T N 1.790 116.289 114.554 -0.092 0.000 2.833 389 T HA 0.020 4.375 4.350 0.008 0.000 0.269 389 T C 0.372 175.017 174.700 -0.093 0.000 1.054 389 T CA 1.114 63.160 62.100 -0.090 0.000 1.135 389 T CB -0.249 68.562 68.868 -0.095 0.000 0.869 389 T HN 0.593 nan 8.240 nan 0.000 0.466 390 L N 2.492 123.663 121.223 -0.087 0.000 2.388 390 L HA 0.383 4.728 4.340 0.008 0.000 0.267 390 L C 1.437 178.280 176.870 -0.046 0.000 0.995 390 L CA -0.592 54.205 54.840 -0.073 0.000 0.864 390 L CB 1.734 43.744 42.059 -0.083 0.000 1.216 390 L HN 0.174 nan 8.230 nan 0.000 0.430 391 T N -2.732 111.803 114.554 -0.032 0.000 3.007 391 T HA -0.038 4.317 4.350 0.008 0.000 0.270 391 T C 0.830 175.528 174.700 -0.003 0.000 1.107 391 T CA 0.488 62.579 62.100 -0.014 0.000 1.118 391 T CB -0.040 68.824 68.868 -0.006 0.000 0.889 391 T HN 0.355 nan 8.240 nan 0.000 0.506 392 S N 2.275 117.970 115.700 -0.008 0.000 2.577 392 S HA 0.486 4.961 4.470 0.008 0.000 0.294 392 S C -0.114 174.482 174.600 -0.007 0.000 1.161 392 S CA -0.841 57.358 58.200 -0.003 0.000 1.143 392 S CB 0.297 63.497 63.200 -0.001 0.000 0.991 392 S HN 0.281 nan 8.310 nan 0.000 0.475 393 I N 4.707 125.286 120.570 0.015 0.000 2.598 393 I HA 0.163 4.338 4.170 0.008 0.000 0.284 393 I C -2.184 173.937 176.117 0.007 0.000 1.140 393 I CA -2.468 58.847 61.300 0.025 0.000 1.420 393 I CB -0.521 37.523 38.000 0.073 0.000 1.387 393 I HN 0.217 nan 8.210 nan 0.000 0.553 394 P HA 0.019 nan 4.420 nan 0.000 0.267 394 P C 0.548 177.850 177.300 0.004 0.000 1.200 394 P CA -0.087 63.004 63.100 -0.015 0.000 0.772 394 P CB 0.614 32.297 31.700 -0.029 0.000 0.855 395 Q N 1.398 121.201 119.800 0.004 0.000 2.245 395 Q HA -0.026 4.319 4.340 0.008 0.000 0.201 395 Q C 0.135 176.143 176.000 0.013 0.000 0.955 395 Q CA 1.040 56.850 55.803 0.010 0.000 0.870 395 Q CB 0.188 28.930 28.738 0.008 0.000 0.945 395 Q HN 0.632 nan 8.270 nan 0.000 0.461 396 T N -3.699 110.861 114.554 0.009 0.000 2.903 396 T HA 0.196 4.551 4.350 0.008 0.000 0.299 396 T C 0.246 174.952 174.700 0.011 0.000 1.093 396 T CA -0.751 61.357 62.100 0.012 0.000 1.002 396 T CB 1.639 70.513 68.868 0.010 0.000 1.127 396 T HN -0.007 nan 8.240 nan 0.000 0.488 397 Q N 1.644 121.453 119.800 0.016 0.000 2.152 397 Q HA -0.058 4.287 4.340 0.008 0.000 0.206 397 Q C 2.303 178.309 176.000 0.010 0.000 0.985 397 Q CA 2.693 58.506 55.803 0.017 0.000 0.863 397 Q CB -0.991 27.759 28.738 0.020 0.000 0.904 397 Q HN 0.940 nan 8.270 nan 0.000 0.422 398 A N 0.046 122.871 122.820 0.009 0.000 1.865 398 A HA -0.179 4.146 4.320 0.008 0.000 0.217 398 A C 1.982 179.569 177.584 0.004 0.000 1.191 398 A CA 1.611 53.652 52.037 0.008 0.000 0.623 398 A CB -1.013 17.993 19.000 0.009 0.000 0.826 398 A HN 0.480 nan 8.150 nan 0.000 0.444 399 L N -0.634 120.589 121.223 0.000 0.000 2.042 399 L HA -0.146 4.199 4.340 0.008 0.000 0.210 399 L C 2.259 179.112 176.870 -0.029 0.000 1.076 399 L CA 2.197 57.032 54.840 -0.010 0.000 0.749 399 L CB -0.901 41.151 42.059 -0.011 0.000 0.893 399 L HN 0.388 nan 8.230 nan 0.000 0.432 400 L N 0.303 121.511 121.223 -0.024 0.000 1.970 400 L HA -0.247 4.098 4.340 0.008 0.000 0.212 400 L C 2.284 179.137 176.870 -0.028 0.000 1.071 400 L CA 1.956 56.774 54.840 -0.036 0.000 0.751 400 L CB -1.329 40.722 42.059 -0.013 0.000 0.889 400 L HN 0.389 nan 8.230 nan 0.000 0.432 401 N N 0.157 118.854 118.700 -0.005 0.000 2.137 401 N HA -0.224 4.521 4.740 0.008 0.000 0.190 401 N C 1.797 177.315 175.510 0.014 0.000 1.017 401 N CA 1.620 54.674 53.050 0.008 0.000 0.859 401 N CB -0.295 38.200 38.487 0.013 0.000 1.002 401 N HN 0.488 nan 8.380 nan 0.000 0.428 402 K N 0.621 121.027 120.400 0.011 0.000 2.097 402 K HA 0.024 4.349 4.320 0.008 0.000 0.206 402 K C 1.911 178.539 176.600 0.047 0.000 1.049 402 K CA 1.199 57.505 56.287 0.033 0.000 0.933 402 K CB -0.088 32.432 32.500 0.034 0.000 0.717 402 K HN 0.149 nan 8.250 nan 0.000 0.442 403 A N 1.068 123.867 122.820 -0.034 0.000 2.119 403 A HA -0.086 4.239 4.320 0.008 0.000 0.217 403 A C 0.183 177.762 177.584 -0.009 0.000 1.153 403 A CA 0.604 52.559 52.037 -0.138 0.000 0.692 403 A CB -0.040 18.699 19.000 -0.435 0.000 0.799 403 A HN 0.179 nan 8.150 nan 0.000 0.458 404 K N -1.340 119.076 120.400 0.025 0.000 3.156 404 K HA -0.176 4.149 4.320 0.008 0.000 0.266 404 K C -0.781 175.864 176.600 0.076 0.000 0.966 404 K CA 0.839 57.167 56.287 0.067 0.000 0.719 404 K CB -2.154 30.415 32.500 0.116 0.000 1.333 404 K HN 0.565 nan 8.250 nan 0.000 0.468 405 L N 0.894 122.121 121.223 0.007 0.000 2.408 405 L HA 0.431 4.776 4.340 0.008 0.000 0.268 405 L C -1.904 174.955 176.870 -0.020 0.000 0.986 405 L CA -2.003 52.832 54.840 -0.009 0.000 0.820 405 L CB 2.273 44.269 42.059 -0.106 0.000 1.303 405 L HN -0.090 nan 8.230 nan 0.000 0.411 406 P HA 0.119 nan 4.420 nan 0.000 0.276 406 P C -1.081 176.195 177.300 -0.039 0.000 1.230 406 P CA -0.450 62.648 63.100 -0.003 0.000 0.776 406 P CB 1.657 33.363 31.700 0.010 0.000 0.888 407 L N 3.141 124.343 121.223 -0.035 0.000 2.272 407 L HA 0.788 5.133 4.340 0.008 0.000 0.289 407 L C 0.032 176.844 176.870 -0.097 0.000 1.032 407 L CA 0.243 55.044 54.840 -0.065 0.000 0.810 407 L CB 0.813 42.846 42.059 -0.044 0.000 1.205 407 L HN 0.719 nan 8.230 nan 0.000 0.422 408 G N 4.486 113.213 108.800 -0.123 0.000 2.550 408 G HA2 0.520 4.485 3.960 0.008 0.000 0.293 408 G HA3 0.520 4.485 3.960 0.008 0.000 0.293 408 G C -2.147 172.662 174.900 -0.151 0.000 1.402 408 G CA -0.838 44.176 45.100 -0.144 0.000 0.784 408 G HN 0.600 nan 8.290 nan 0.000 0.482 409 L N -0.448 120.704 121.223 -0.117 0.000 2.354 409 L HA 0.707 5.052 4.340 0.008 0.000 0.269 409 L C -0.960 175.930 176.870 0.033 0.000 1.005 409 L CA -0.897 53.924 54.840 -0.031 0.000 0.819 409 L CB 2.124 44.215 42.059 0.053 0.000 1.311 409 L HN 0.296 nan 8.230 nan 0.000 0.423 410 L N 3.656 124.922 121.223 0.071 0.000 2.346 410 L HA 0.716 5.061 4.340 0.008 0.000 0.274 410 L C -0.599 176.299 176.870 0.046 0.000 1.007 410 L CA -0.233 54.637 54.840 0.050 0.000 0.818 410 L CB 1.942 44.014 42.059 0.022 0.000 1.284 410 L HN 0.406 nan 8.230 nan 0.000 0.424 411 L N -0.563 120.668 121.223 0.013 0.000 2.465 411 L HA 0.664 5.009 4.340 0.008 0.000 0.257 411 L C -0.894 176.047 176.870 0.119 0.000 0.988 411 L CA -0.800 54.008 54.840 -0.053 0.000 0.827 411 L CB 2.140 43.980 42.059 -0.365 0.000 1.397 411 L HN 0.487 nan 8.230 nan 0.000 0.410 412 H N 1.927 120.986 119.070 -0.019 0.000 2.616 412 H HA 0.316 4.877 4.556 0.008 0.000 0.229 412 H C -2.273 173.075 175.328 0.033 0.000 1.418 412 H CA -2.327 53.756 56.048 0.058 0.000 1.248 412 H CB 0.700 30.478 29.762 0.028 0.000 1.822 412 H HN 0.457 nan 8.280 nan 0.000 0.522 413 P HA -0.210 nan 4.420 nan 0.000 0.217 413 P C 0.878 178.419 177.300 0.401 0.000 1.151 413 P CA 1.043 64.276 63.100 0.222 0.000 0.849 413 P CB 0.117 31.915 31.700 0.164 0.000 0.787 414 F N 0.407 120.439 119.950 0.137 0.000 2.684 414 F HA 0.334 4.866 4.527 0.008 0.000 0.298 414 F C 1.016 176.801 175.800 -0.025 0.000 1.120 414 F CA -1.785 56.236 58.000 0.035 0.000 1.332 414 F CB -0.558 38.433 39.000 -0.015 0.000 0.986 414 F HN -0.262 nan 8.300 nan 0.000 0.524 415 K N 1.457 121.782 120.400 -0.126 0.000 2.489 415 K HA -0.038 4.287 4.320 0.008 0.000 0.278 415 K C -0.296 176.125 176.600 -0.298 0.000 1.000 415 K CA -0.184 55.813 56.287 -0.482 0.000 1.012 415 K CB 0.313 32.211 32.500 -1.003 0.000 0.903 415 K HN -0.000 nan 8.250 nan 0.000 0.485 416 D N 3.685 123.935 120.400 -0.251 0.000 2.458 416 D HA 0.082 4.727 4.640 0.008 0.000 0.243 416 D C 0.020 176.237 176.300 -0.139 0.000 1.146 416 D CA 0.385 54.266 54.000 -0.197 0.000 0.877 416 D CB 0.422 41.139 40.800 -0.138 0.000 1.176 416 D HN 0.332 nan 8.370 nan 0.000 0.461 417 L N 1.160 122.318 121.223 -0.108 0.000 2.286 417 L HA 0.412 4.757 4.340 0.008 0.000 0.265 417 L C 1.377 178.221 176.870 -0.043 0.000 1.012 417 L CA -1.084 53.719 54.840 -0.062 0.000 0.818 417 L CB 1.383 43.420 42.059 -0.036 0.000 1.337 417 L HN 0.088 nan 8.230 nan 0.000 0.438 418 V N -0.923 118.977 119.914 -0.024 0.000 2.426 418 V HA -0.036 4.089 4.120 0.008 0.000 0.242 418 V C 0.367 176.454 176.094 -0.012 0.000 1.036 418 V CA 0.938 63.230 62.300 -0.014 0.000 1.044 418 V CB -0.382 31.439 31.823 -0.003 0.000 0.688 418 V HN 0.894 nan 8.190 nan 0.000 0.462 419 Q N 0.605 120.400 119.800 -0.009 0.000 2.292 419 Q HA 0.639 4.984 4.340 0.008 0.000 0.270 419 Q C -1.607 174.386 176.000 -0.011 0.000 1.024 419 Q CA -0.659 55.138 55.803 -0.009 0.000 0.768 419 Q CB 2.479 31.214 28.738 -0.005 0.000 1.250 419 Q HN 0.266 nan 8.270 nan 0.000 0.447 420 L N 3.626 124.838 121.223 -0.019 0.000 2.343 420 L HA 0.571 4.916 4.340 0.008 0.000 0.278 420 L C -2.718 174.123 176.870 -0.047 0.000 0.996 420 L CA -1.566 53.259 54.840 -0.025 0.000 0.831 420 L CB 1.644 43.692 42.059 -0.018 0.000 1.232 420 L HN 0.501 nan 8.230 nan 0.000 0.413 421 P HA 0.219 nan 4.420 nan 0.000 0.275 421 P C -1.153 176.056 177.300 -0.150 0.000 1.276 421 P CA -0.098 62.942 63.100 -0.099 0.000 0.782 421 P CB 0.819 32.455 31.700 -0.107 0.000 0.851 422 V N 5.602 125.443 119.914 -0.122 0.000 2.313 422 V HA 0.147 4.272 4.120 0.008 0.000 0.278 422 V C 0.326 176.343 176.094 -0.129 0.000 1.017 422 V CA -0.656 61.561 62.300 -0.138 0.000 0.823 422 V CB 1.683 33.462 31.823 -0.074 0.000 1.010 422 V HN 0.244 nan 8.190 nan 0.000 0.443 423 V N 4.888 124.683 119.914 -0.199 0.000 2.546 423 V HA 0.264 4.389 4.120 0.008 0.000 0.284 423 V C 1.181 177.287 176.094 0.020 0.000 1.050 423 V CA 0.253 62.503 62.300 -0.084 0.000 0.981 423 V CB 1.817 33.592 31.823 -0.079 0.000 0.990 423 V HN 1.001 nan 8.190 nan 0.000 0.474 424 T N -0.172 114.408 114.554 0.044 0.000 3.248 424 T HA 0.153 4.508 4.350 0.008 0.000 0.271 424 T C 0.627 175.371 174.700 0.073 0.000 1.005 424 T CA -0.107 62.023 62.100 0.049 0.000 0.902 424 T CB 0.106 68.985 68.868 0.019 0.000 1.102 424 T HN 0.479 nan 8.240 nan 0.000 0.548 425 S N 1.499 117.277 115.700 0.130 0.000 2.817 425 S HA -0.040 4.435 4.470 0.008 0.000 0.333 425 S C 1.365 176.012 174.600 0.078 0.000 1.227 425 S CA -0.037 58.243 58.200 0.133 0.000 1.027 425 S CB -0.072 63.258 63.200 0.216 0.000 0.732 425 S HN 0.588 nan 8.310 nan 0.000 0.499 426 S N 3.161 118.902 115.700 0.068 0.000 2.653 426 S HA 0.118 4.593 4.470 0.008 0.000 0.233 426 S C 0.616 175.240 174.600 0.040 0.000 0.970 426 S CA 0.632 58.860 58.200 0.047 0.000 0.947 426 S CB -0.234 62.993 63.200 0.045 0.000 0.771 426 S HN 0.832 nan 8.310 nan 0.000 0.538 427 T N 1.086 115.664 114.554 0.040 0.000 3.343 427 T HA 0.279 4.634 4.350 0.008 0.000 0.383 427 T C -1.775 172.906 174.700 -0.032 0.000 1.615 427 T CA -0.734 61.373 62.100 0.012 0.000 1.153 427 T CB 0.313 69.194 68.868 0.021 0.000 1.434 427 T HN -0.090 nan 8.240 nan 0.000 0.476 428 I N 4.901 125.411 120.570 -0.100 0.000 2.337 428 I HA 0.314 4.489 4.170 0.008 0.000 0.291 428 I C 0.685 176.683 176.117 -0.199 0.000 1.046 428 I CA -0.618 60.535 61.300 -0.245 0.000 1.324 428 I CB 0.911 38.732 38.000 -0.297 0.000 1.409 428 I HN 0.399 nan 8.210 nan 0.000 0.494 429 V N 8.684 128.433 119.914 -0.275 0.000 2.439 429 V HA 0.298 4.423 4.120 0.008 0.000 0.271 429 V C 0.505 176.447 176.094 -0.254 0.000 1.040 429 V CA -0.352 61.743 62.300 -0.343 0.000 1.002 429 V CB -0.152 31.213 31.823 -0.764 0.000 1.000 429 V HN 0.703 nan 8.190 nan 0.000 0.477 430 R N 3.126 123.562 120.500 -0.106 0.000 2.604 430 R HA 0.412 4.757 4.340 0.008 0.000 0.281 430 R C -0.699 175.707 176.300 0.178 0.000 1.020 430 R CA -0.660 55.409 56.100 -0.052 0.000 0.899 430 R CB 1.591 31.756 30.300 -0.224 0.000 1.205 430 R HN 0.752 nan 8.270 nan 0.000 0.450 431 C N 2.784 122.285 119.300 0.335 0.000 2.465 431 C HA 0.004 4.469 4.460 0.008 0.000 0.402 431 C C 1.609 176.593 174.990 -0.009 0.000 1.448 431 C CA 0.132 59.238 59.018 0.146 0.000 1.589 431 C CB -0.279 27.468 27.740 0.010 0.000 2.535 431 C HN 0.898 nan 8.230 nan 0.000 0.600 432 R N 3.108 123.572 120.500 -0.060 0.000 2.285 432 R HA -0.035 4.310 4.340 0.008 0.000 0.213 432 R C 2.055 178.309 176.300 -0.077 0.000 1.068 432 R CA 1.330 57.392 56.100 -0.063 0.000 1.004 432 R CB 0.058 30.319 30.300 -0.065 0.000 0.873 432 R HN 0.821 nan 8.270 nan 0.000 0.467 433 S N -0.208 115.435 115.700 -0.095 0.000 2.432 433 S HA -0.069 4.406 4.470 0.008 0.000 0.203 433 S C 1.933 176.487 174.600 -0.077 0.000 0.987 433 S CA 0.666 58.815 58.200 -0.085 0.000 0.908 433 S CB 0.018 63.161 63.200 -0.094 0.000 0.883 433 S HN 0.620 nan 8.310 nan 0.000 0.577 434 C N 1.593 120.843 119.300 -0.083 0.000 2.618 434 C HA 0.456 4.921 4.460 0.008 0.000 0.264 434 C C 0.751 175.693 174.990 -0.079 0.000 1.334 434 C CA -0.490 58.484 59.018 -0.073 0.000 1.731 434 C CB -0.999 26.696 27.740 -0.075 0.000 1.852 434 C HN 0.485 nan 8.230 nan 0.000 0.566 435 R N 0.398 120.844 120.500 -0.091 0.000 3.770 435 R HA -0.126 4.219 4.340 0.008 0.000 0.305 435 R C -0.037 176.126 176.300 -0.227 0.000 1.184 435 R CA 1.215 57.229 56.100 -0.144 0.000 0.823 435 R CB -3.223 26.984 30.300 -0.156 0.000 1.285 435 R HN 0.687 nan 8.270 nan 0.000 0.499 436 T N 1.011 115.500 114.554 -0.108 0.000 2.919 436 T HA 0.247 4.602 4.350 0.008 0.000 0.302 436 T C 0.473 175.116 174.700 -0.096 0.000 1.031 436 T CA -0.006 62.054 62.100 -0.067 0.000 1.127 436 T CB 0.310 69.212 68.868 0.056 0.000 0.952 436 T HN 0.019 nan 8.240 nan 0.000 0.540 437 Y N 1.922 122.263 120.300 0.068 0.000 2.402 437 Y HA 0.250 4.805 4.550 0.008 0.000 0.333 437 Y C 0.839 176.710 175.900 -0.049 0.000 1.076 437 Y CA -1.022 57.078 58.100 -0.001 0.000 1.299 437 Y CB 0.079 38.572 38.460 0.054 0.000 1.197 437 Y HN 0.476 nan 8.280 nan 0.000 0.517 438 I N 6.652 127.143 120.570 -0.131 0.000 2.943 438 I HA -0.164 4.011 4.170 0.008 0.000 0.296 438 I C 0.018 176.091 176.117 -0.073 0.000 1.220 438 I CA 0.301 61.338 61.300 -0.439 0.000 1.409 438 I CB -0.575 37.015 38.000 -0.683 0.000 1.374 438 I HN 0.741 nan 8.210 nan 0.000 0.545 439 N N 6.912 125.573 118.700 -0.066 0.000 2.701 439 N HA 0.525 5.270 4.740 0.008 0.000 0.290 439 N C -2.680 172.761 175.510 -0.115 0.000 1.338 439 N CA -1.731 51.317 53.050 -0.003 0.000 0.799 439 N CB 0.733 39.281 38.487 0.101 0.000 1.491 439 N HN 0.148 nan 8.380 nan 0.000 0.540 440 P HA 0.153 nan 4.420 nan 0.000 0.237 440 P C -0.173 176.773 177.300 -0.589 0.000 1.178 440 P CA 0.834 63.635 63.100 -0.498 0.000 0.766 440 P CB -0.140 31.103 31.700 -0.762 0.000 0.876 441 F N -1.375 118.604 119.950 0.048 0.000 2.708 441 F HA 0.131 4.663 4.527 0.008 0.000 0.300 441 F C 1.125 176.939 175.800 0.022 0.000 1.118 441 F CA -1.003 57.017 58.000 0.034 0.000 1.307 441 F CB -0.806 38.205 39.000 0.018 0.000 0.986 441 F HN -0.260 nan 8.300 nan 0.000 0.522 442 V N -1.921 118.037 119.914 0.072 0.000 3.083 442 V HA 0.560 4.685 4.120 0.008 0.000 0.306 442 V C 0.378 176.465 176.094 -0.013 0.000 1.077 442 V CA -0.695 61.630 62.300 0.042 0.000 1.073 442 V CB 1.346 33.126 31.823 -0.072 0.000 1.081 442 V HN 0.083 nan 8.190 nan 0.000 0.474 443 S N 2.364 118.067 115.700 0.004 0.000 2.448 443 S HA 0.613 5.088 4.470 0.008 0.000 0.320 443 S C -0.785 173.836 174.600 0.035 0.000 1.071 443 S CA -0.119 58.105 58.200 0.040 0.000 1.113 443 S CB 0.255 63.497 63.200 0.069 0.000 0.972 443 S HN 0.532 nan 8.310 nan 0.000 0.465 444 F N 3.437 123.485 119.950 0.162 0.000 2.424 444 F HA 0.425 4.957 4.527 0.008 0.000 0.356 444 F C 0.825 176.693 175.800 0.113 0.000 1.110 444 F CA -0.554 57.549 58.000 0.171 0.000 1.161 444 F CB 0.435 39.533 39.000 0.162 0.000 1.115 444 F HN 0.485 nan 8.300 nan 0.000 0.507 445 L N 1.344 122.772 121.223 0.342 0.000 3.260 445 L HA 0.161 4.506 4.340 0.008 0.000 0.171 445 L C 1.204 178.177 176.870 0.171 0.000 1.315 445 L CA -0.257 54.700 54.840 0.195 0.000 0.886 445 L CB -0.202 41.933 42.059 0.127 0.000 1.431 445 L HN 0.254 nan 8.230 nan 0.000 0.583 446 D N 1.378 121.876 120.400 0.162 0.000 2.379 446 D HA -0.159 4.486 4.640 0.008 0.000 0.243 446 D C 0.860 177.242 176.300 0.137 0.000 1.088 446 D CA 0.487 54.563 54.000 0.126 0.000 0.925 446 D CB -0.027 40.837 40.800 0.106 0.000 0.888 446 D HN 0.330 nan 8.370 nan 0.000 0.529 447 Q N -0.246 119.656 119.800 0.171 0.000 2.397 447 Q HA -0.289 4.056 4.340 0.008 0.000 0.253 447 Q C 0.099 176.162 176.000 0.104 0.000 1.026 447 Q CA 0.995 56.857 55.803 0.098 0.000 1.066 447 Q CB -0.461 28.306 28.738 0.050 0.000 1.553 447 Q HN 0.406 nan 8.270 nan 0.000 0.538 448 R N -1.291 119.319 120.500 0.183 0.000 2.452 448 R HA 0.262 4.607 4.340 0.008 0.000 0.345 448 R C -0.669 175.772 176.300 0.236 0.000 0.798 448 R CA -0.181 56.027 56.100 0.180 0.000 1.050 448 R CB 0.958 31.327 30.300 0.114 0.000 1.726 448 R HN 0.001 nan 8.270 nan 0.000 0.510 449 R N 1.332 122.022 120.500 0.317 0.000 2.535 449 R HA 0.292 4.637 4.340 0.008 0.000 0.274 449 R C -1.618 174.931 176.300 0.415 0.000 1.090 449 R CA -0.765 55.505 56.100 0.284 0.000 0.930 449 R CB 1.969 32.346 30.300 0.128 0.000 1.223 449 R HN 0.030 nan 8.270 nan 0.000 0.441 450 W N 2.147 123.517 121.300 0.116 0.000 2.736 450 W HA 0.541 5.206 4.660 0.008 0.000 0.335 450 W C -1.124 175.343 176.519 -0.086 0.000 1.059 450 W CA -1.213 56.097 57.345 -0.057 0.000 1.226 450 W CB 0.933 30.203 29.460 -0.317 0.000 1.416 450 W HN 0.407 nan 8.180 nan 0.000 0.505 451 K N 3.156 123.538 120.400 -0.031 0.000 2.262 451 K HA 0.337 4.662 4.320 0.008 0.000 0.282 451 K C -0.325 176.244 176.600 -0.050 0.000 1.066 451 K CA -0.346 55.870 56.287 -0.119 0.000 0.901 451 K CB 0.852 33.349 32.500 -0.005 0.000 1.089 451 K HN 0.642 nan 8.250 nan 0.000 0.476 452 C N 6.155 125.291 119.300 -0.273 0.000 2.638 452 C HA 0.080 4.545 4.460 0.008 0.000 0.410 452 C C 1.505 176.481 174.990 -0.023 0.000 1.404 452 C CA -0.524 58.448 59.018 -0.078 0.000 1.651 452 C CB -1.078 26.509 27.740 -0.256 0.000 2.495 452 C HN 1.045 nan 8.230 nan 0.000 0.606 453 N N 4.302 123.037 118.700 0.059 0.000 2.571 453 N HA -0.070 4.675 4.740 0.008 0.000 0.189 453 N C 0.669 176.074 175.510 -0.175 0.000 1.154 453 N CA 0.734 53.782 53.050 -0.003 0.000 0.907 453 N CB -0.161 38.376 38.487 0.082 0.000 0.977 453 N HN 0.675 nan 8.380 nan 0.000 0.449 454 L N -0.202 120.887 121.223 -0.224 0.000 2.547 454 L HA 0.200 4.545 4.340 0.008 0.000 0.218 454 L C 1.895 178.467 176.870 -0.496 0.000 1.048 454 L CA 0.609 55.265 54.840 -0.307 0.000 0.859 454 L CB 0.014 41.986 42.059 -0.145 0.000 1.128 454 L HN 0.501 nan 8.230 nan 0.000 0.483 455 C N -3.702 115.329 119.300 -0.449 0.000 3.385 455 C HA 0.356 4.821 4.460 0.008 0.000 0.288 455 C C 1.052 175.847 174.990 -0.326 0.000 1.429 455 C CA -0.559 58.210 59.018 -0.415 0.000 1.778 455 C CB -0.742 26.881 27.740 -0.194 0.000 2.503 455 C HN 0.595 nan 8.230 nan 0.000 0.646 456 Y N 0.111 120.358 120.300 -0.088 0.000 4.535 456 Y HA -0.297 4.258 4.550 0.008 0.000 0.301 456 Y C 0.998 176.808 175.900 -0.149 0.000 1.046 456 Y CA 1.544 59.584 58.100 -0.101 0.000 1.970 456 Y CB -1.964 36.451 38.460 -0.075 0.000 1.093 456 Y HN 0.710 nan 8.280 nan 0.000 0.460 457 R N 1.595 122.055 120.500 -0.066 0.000 2.758 457 R HA 0.326 4.671 4.340 0.008 0.000 0.263 457 R C -0.396 175.733 176.300 -0.284 0.000 1.010 457 R CA 0.381 56.392 56.100 -0.148 0.000 1.114 457 R CB 0.380 30.574 30.300 -0.177 0.000 0.985 457 R HN 0.028 nan 8.270 nan 0.000 0.439 458 V N 4.635 124.389 119.914 -0.266 0.000 2.427 458 V HA 0.303 4.428 4.120 0.008 0.000 0.286 458 V C 0.100 175.925 176.094 -0.448 0.000 1.034 458 V CA -0.652 61.438 62.300 -0.350 0.000 0.893 458 V CB 1.371 33.087 31.823 -0.179 0.000 0.982 458 V HN 0.831 nan 8.190 nan 0.000 0.452 459 N N 1.955 120.191 118.700 -0.773 0.000 2.457 459 N HA 0.432 5.177 4.740 0.008 0.000 0.290 459 N C -1.295 174.094 175.510 -0.201 0.000 1.232 459 N CA -0.724 51.962 53.050 -0.607 0.000 0.852 459 N CB 2.064 39.994 38.487 -0.927 0.000 1.313 459 N HN 0.618 nan 8.380 nan 0.000 0.522 460 D N 0.865 121.295 120.400 0.051 0.000 2.198 460 D HA 0.191 4.836 4.640 0.008 0.000 0.245 460 D C -0.246 176.234 176.300 0.299 0.000 1.079 460 D CA -0.241 53.861 54.000 0.169 0.000 0.854 460 D CB 2.173 43.028 40.800 0.092 0.000 1.148 460 D HN 0.065 nan 8.370 nan 0.000 0.456 461 V N 5.268 125.380 119.914 0.330 0.000 2.405 461 V HA 0.137 4.262 4.120 0.008 0.000 0.264 461 V C -1.537 174.655 176.094 0.164 0.000 1.048 461 V CA -1.192 61.261 62.300 0.255 0.000 0.966 461 V CB 0.434 32.462 31.823 0.342 0.000 1.015 461 V HN 0.409 nan 8.190 nan 0.000 0.477 462 P HA 0.049 nan 4.420 nan 0.000 0.269 462 P C -0.118 177.254 177.300 0.119 0.000 1.209 462 P CA -0.283 62.871 63.100 0.090 0.000 0.776 462 P CB 0.904 32.636 31.700 0.052 0.000 0.876 463 E N 1.477 121.731 120.200 0.090 0.000 2.443 463 E HA -0.050 4.305 4.350 0.008 0.000 0.310 463 E C 0.207 176.856 176.600 0.081 0.000 1.202 463 E CA 0.634 57.082 56.400 0.080 0.000 1.301 463 E CB -0.754 28.979 29.700 0.055 0.000 1.104 463 E HN 0.421 nan 8.360 nan 0.000 0.487 464 E N 0.535 120.807 120.200 0.120 0.000 2.410 464 E HA 0.011 4.366 4.350 0.008 0.000 0.188 464 E C 0.334 177.043 176.600 0.182 0.000 0.980 464 E CA -0.053 56.419 56.400 0.120 0.000 1.513 464 E CB -0.289 29.480 29.700 0.115 0.000 2.654 464 E HN 0.321 nan 8.360 nan 0.000 1.016 465 F N 1.482 121.435 119.950 0.004 0.000 2.797 465 F HA 0.272 4.804 4.527 0.008 0.000 0.302 465 F C 0.597 176.376 175.800 -0.035 0.000 1.130 465 F CA -0.027 57.969 58.000 -0.007 0.000 1.387 465 F CB 0.343 39.347 39.000 0.005 0.000 1.107 465 F HN -0.035 nan 8.300 nan 0.000 0.577 477 P HA -0.207 nan 4.420 nan 0.000 0.222 477 P C 0.923 177.937 177.300 -0.478 0.000 1.147 477 P CA 1.336 64.192 63.100 -0.407 0.000 0.790 477 P CB -0.025 31.516 31.700 -0.265 0.000 0.780 478 H N -1.921 116.889 119.070 -0.433 0.000 2.555 478 H HA 0.195 4.755 4.556 0.008 0.000 0.269 478 H C 1.868 177.135 175.328 -0.102 0.000 0.988 478 H CA 0.410 56.319 56.048 -0.232 0.000 1.178 478 H CB -0.570 29.076 29.762 -0.192 0.000 1.373 478 H HN -0.072 nan 8.280 nan 0.000 0.588 479 R N 0.455 120.670 120.500 -0.474 0.000 2.300 479 R HA 0.201 4.546 4.340 0.008 0.000 0.199 479 R C 0.264 176.429 176.300 -0.225 0.000 0.920 479 R CA -0.176 55.758 56.100 -0.277 0.000 1.046 479 R CB -0.067 30.027 30.300 -0.344 0.000 0.984 479 R HN 0.121 nan 8.270 nan 0.000 0.493 480 R N 0.334 120.647 120.500 -0.312 0.000 2.698 480 R HA 0.009 4.354 4.340 0.008 0.000 0.266 480 R C -1.738 174.445 176.300 -0.195 0.000 1.026 480 R CA -0.903 54.974 56.100 -0.372 0.000 1.102 480 R CB 0.282 30.098 30.300 -0.806 0.000 0.978 480 R HN -0.008 nan 8.270 nan 0.000 0.436 481 P HA -0.134 nan 4.420 nan 0.000 0.216 481 P C 0.122 177.393 177.300 -0.048 0.000 1.150 481 P CA 1.281 64.326 63.100 -0.092 0.000 0.837 481 P CB 0.192 31.835 31.700 -0.096 0.000 0.786 482 E N -1.093 119.119 120.200 0.020 0.000 2.331 482 E HA -0.093 4.262 4.350 0.008 0.000 0.199 482 E C 1.316 177.976 176.600 0.100 0.000 1.008 482 E CA 0.833 57.315 56.400 0.138 0.000 0.843 482 E CB -0.529 29.424 29.700 0.421 0.000 0.761 482 E HN 0.155 nan 8.360 nan 0.000 0.507 483 V N 0.051 120.003 119.914 0.063 0.000 3.528 483 V HA 0.064 4.189 4.120 0.008 0.000 0.294 483 V C 1.065 177.145 176.094 -0.023 0.000 1.404 483 V CA 0.159 62.484 62.300 0.042 0.000 1.065 483 V CB 0.403 32.339 31.823 0.189 0.000 0.904 483 V HN 0.111 nan 8.190 nan 0.000 0.435 484 Q N 0.809 120.592 119.800 -0.029 0.000 2.219 484 Q HA 0.340 4.684 4.340 0.008 0.000 0.209 484 Q C -0.275 175.700 176.000 -0.042 0.000 0.854 484 Q CA 0.192 55.975 55.803 -0.033 0.000 0.960 484 Q CB 0.698 29.422 28.738 -0.024 0.000 1.116 484 Q HN 0.606 nan 8.270 nan 0.000 0.500 485 N N -0.690 117.977 118.700 -0.054 0.000 2.336 485 N HA 0.311 5.056 4.740 0.008 0.000 0.290 485 N C -0.332 175.162 175.510 -0.025 0.000 1.058 485 N CA -0.018 53.011 53.050 -0.034 0.000 0.865 485 N CB 2.082 40.543 38.487 -0.043 0.000 1.581 485 N HN -0.089 nan 8.380 nan 0.000 0.480 486 A N 0.825 123.666 122.820 0.034 0.000 2.072 486 A HA 0.118 4.442 4.320 0.008 0.000 0.216 486 A C 0.698 178.386 177.584 0.172 0.000 1.156 486 A CA 1.031 53.143 52.037 0.124 0.000 0.701 486 A CB 0.175 19.316 19.000 0.234 0.000 0.816 486 A HN 0.510 nan 8.150 nan 0.000 0.458 487 T N 0.052 114.685 114.554 0.132 0.000 2.807 487 T HA 0.653 5.008 4.350 0.008 0.000 0.279 487 T C -0.886 173.796 174.700 -0.030 0.000 0.993 487 T CA -0.138 62.044 62.100 0.138 0.000 0.970 487 T CB 1.247 70.276 68.868 0.269 0.000 0.950 487 T HN 0.341 nan 8.240 nan 0.000 0.441 488 I N 1.647 122.124 120.570 -0.156 0.000 2.842 488 I HA 0.394 4.569 4.170 0.008 0.000 0.296 488 I C -1.797 174.096 176.117 -0.373 0.000 1.538 488 I CA -0.604 60.528 61.300 -0.280 0.000 0.994 488 I CB 2.248 40.013 38.000 -0.393 0.000 1.372 488 I HN 0.533 nan 8.210 nan 0.000 0.478 489 E N 4.635 124.606 120.200 -0.382 0.000 2.199 489 E HA 0.495 4.850 4.350 0.008 0.000 0.265 489 E C -1.783 174.578 176.600 -0.398 0.000 0.882 489 E CA -0.592 55.635 56.400 -0.288 0.000 0.759 489 E CB 1.486 31.134 29.700 -0.086 0.000 1.148 489 E HN 0.336 nan 8.360 nan 0.000 0.412 490 F N 2.269 122.139 119.950 -0.133 0.000 2.440 490 F HA 0.408 4.939 4.527 0.008 0.000 0.328 490 F C 0.438 176.144 175.800 -0.157 0.000 1.070 490 F CA -0.883 57.030 58.000 -0.144 0.000 1.011 490 F CB 1.081 39.964 39.000 -0.195 0.000 1.226 490 F HN 0.241 nan 8.300 nan 0.000 0.491 491 M N 2.402 122.050 119.600 0.081 0.000 2.080 491 M HA 0.361 4.846 4.480 0.008 0.000 0.350 491 M C -0.204 176.037 176.300 -0.098 0.000 1.173 491 M CA -0.766 54.517 55.300 -0.027 0.000 1.052 491 M CB 0.627 33.221 32.600 -0.010 0.000 1.577 491 M HN 0.628 nan 8.290 nan 0.000 0.455 492 A N 7.625 130.344 122.820 -0.169 0.000 2.454 492 A HA 0.565 4.890 4.320 0.008 0.000 0.260 492 A C -1.958 175.533 177.584 -0.155 0.000 1.106 492 A CA -0.834 51.023 52.037 -0.300 0.000 0.780 492 A CB -0.624 18.240 19.000 -0.227 0.000 1.044 492 A HN 0.530 nan 8.150 nan 0.000 0.498 493 P HA 0.097 nan 4.420 nan 0.000 0.275 493 P C 1.037 178.428 177.300 0.152 0.000 1.266 493 P CA -0.243 62.881 63.100 0.041 0.000 0.793 493 P CB 0.836 32.586 31.700 0.084 0.000 1.074 494 S N -0.019 115.746 115.700 0.109 0.000 2.423 494 S HA -0.207 4.268 4.470 0.008 0.000 0.238 494 S C 1.109 175.772 174.600 0.106 0.000 1.028 494 S CA 1.789 60.043 58.200 0.091 0.000 1.000 494 S CB -0.769 62.464 63.200 0.054 0.000 0.797 494 S HN 0.483 nan 8.310 nan 0.000 0.487 495 E N -0.709 119.576 120.200 0.142 0.000 2.476 495 E HA 0.113 4.468 4.350 0.008 0.000 0.191 495 E C 0.094 176.674 176.600 -0.033 0.000 1.064 495 E CA 0.191 56.610 56.400 0.032 0.000 0.866 495 E CB -0.092 29.581 29.700 -0.046 0.000 0.952 495 E HN 0.702 nan 8.360 nan 0.000 0.492 496 Y N 0.859 121.158 120.300 -0.003 0.000 2.658 496 Y HA 0.283 4.838 4.550 0.008 0.000 0.276 496 Y C 0.337 176.237 175.900 -0.000 0.000 1.167 496 Y CA -0.626 57.475 58.100 0.002 0.000 1.230 496 Y CB 0.182 38.646 38.460 0.006 0.000 1.144 496 Y HN 0.013 nan 8.280 nan 0.000 0.529 497 M N -1.780 117.883 119.600 0.105 0.000 2.277 497 M HA 0.359 4.844 4.480 0.008 0.000 0.282 497 M C -1.112 175.207 176.300 0.032 0.000 1.074 497 M CA -0.777 54.562 55.300 0.064 0.000 0.954 497 M CB 1.703 34.338 32.600 0.059 0.000 1.672 497 M HN -0.086 nan 8.290 nan 0.000 0.471 498 L N 2.008 123.245 121.223 0.024 0.000 2.478 498 L HA 0.219 4.564 4.340 0.008 0.000 0.223 498 L C 0.905 177.781 176.870 0.011 0.000 1.140 498 L CA 1.015 55.862 54.840 0.012 0.000 0.842 498 L CB -0.947 41.120 42.059 0.013 0.000 0.953 498 L HN 0.886 nan 8.230 nan 0.000 0.452 499 R N -3.245 117.264 120.500 0.014 0.000 2.728 499 R HA 0.454 4.799 4.340 0.008 0.000 0.274 499 R C -3.003 173.302 176.300 0.008 0.000 1.032 499 R CA -1.582 54.522 56.100 0.007 0.000 0.866 499 R CB -0.132 30.169 30.300 0.002 0.000 1.263 499 R HN -0.356 nan 8.270 nan 0.000 0.475 500 P HA 0.103 nan 4.420 nan 0.000 0.264 500 P C -2.396 174.900 177.300 -0.006 0.000 1.183 500 P CA -0.600 62.499 63.100 -0.002 0.000 0.763 500 P CB -0.058 31.636 31.700 -0.009 0.000 0.807 501 P HA -0.090 nan 4.420 nan 0.000 0.255 501 P C -0.164 177.120 177.300 -0.027 0.000 1.161 501 P CA 0.431 63.531 63.100 -0.000 0.000 0.768 501 P CB 0.014 31.716 31.700 0.004 0.000 0.746 502 Q N 6.642 126.418 119.800 -0.040 0.000 2.392 502 Q HA 0.313 4.658 4.340 0.008 0.000 0.262 502 Q C -2.211 173.678 176.000 -0.185 0.000 1.003 502 Q CA -1.631 54.106 55.803 -0.110 0.000 0.888 502 Q CB -0.084 28.576 28.738 -0.131 0.000 1.260 502 Q HN 0.309 nan 8.270 nan 0.000 0.435 503 P HA 0.231 nan 4.420 nan 0.000 0.276 503 P C -2.595 174.389 177.300 -0.528 0.000 1.261 503 P CA -1.869 61.075 63.100 -0.259 0.000 0.800 503 P CB 0.295 31.886 31.700 -0.182 0.000 1.066 504 P HA 0.131 nan 4.420 nan 0.000 0.282 504 P C -0.802 176.049 177.300 -0.748 0.000 1.274 504 P CA -0.027 62.562 63.100 -0.851 0.000 0.770 504 P CB 0.586 32.102 31.700 -0.307 0.000 0.867 505 V N 5.736 125.121 119.914 -0.883 0.000 2.443 505 V HA 0.295 4.420 4.120 0.008 0.000 0.293 505 V C -0.749 175.040 176.094 -0.509 0.000 1.021 505 V CA -0.552 61.416 62.300 -0.553 0.000 0.848 505 V CB 0.961 32.572 31.823 -0.354 0.000 0.998 505 V HN 0.352 nan 8.190 nan 0.000 0.424 506 Y N 5.034 125.283 120.300 -0.085 0.000 2.335 506 Y HA 0.730 5.284 4.550 0.008 0.000 0.338 506 Y C -0.277 175.409 175.900 -0.357 0.000 0.977 506 Y CA -1.216 56.767 58.100 -0.195 0.000 1.114 506 Y CB 1.830 40.248 38.460 -0.070 0.000 1.182 506 Y HN 0.538 nan 8.280 nan 0.000 0.463 507 L N 5.143 126.164 121.223 -0.337 0.000 2.342 507 L HA 0.609 4.954 4.340 0.008 0.000 0.276 507 L C -1.853 174.711 176.870 -0.510 0.000 0.997 507 L CA -0.850 53.784 54.840 -0.343 0.000 0.838 507 L CB 0.073 42.040 42.059 -0.155 0.000 1.224 507 L HN 0.357 nan 8.230 nan 0.000 0.416 508 F N 4.934 124.714 119.950 -0.284 0.000 2.411 508 F HA 0.511 5.043 4.527 0.008 0.000 0.355 508 F C 0.245 175.741 175.800 -0.507 0.000 1.117 508 F CA -0.568 57.224 58.000 -0.347 0.000 1.139 508 F CB 1.490 40.216 39.000 -0.457 0.000 1.120 508 F HN 0.103 nan 8.300 nan 0.000 0.493 509 V N 5.589 125.402 119.914 -0.168 0.000 2.304 509 V HA 0.328 4.453 4.120 0.008 0.000 0.278 509 V C -0.425 175.796 176.094 0.212 0.000 1.018 509 V CA -0.877 61.417 62.300 -0.010 0.000 0.814 509 V CB 0.226 32.112 31.823 0.104 0.000 1.021 509 V HN 0.491 nan 8.190 nan 0.000 0.440 510 F N 2.324 122.504 119.950 0.384 0.000 2.420 510 F HA 0.455 4.987 4.527 0.008 0.000 0.342 510 F C 0.523 176.213 175.800 -0.184 0.000 1.113 510 F CA -0.796 57.336 58.000 0.221 0.000 1.059 510 F CB 1.290 40.309 39.000 0.033 0.000 1.128 510 F HN 0.430 nan 8.300 nan 0.000 0.475 511 D N 2.125 122.442 120.400 -0.138 0.000 2.304 511 D HA 0.270 4.915 4.640 0.008 0.000 0.250 511 D C 0.160 176.195 176.300 -0.441 0.000 1.107 511 D CA -0.360 53.088 54.000 -0.919 0.000 0.885 511 D CB 1.608 42.154 40.800 -0.423 0.000 1.192 511 D HN 0.340 nan 8.370 nan 0.000 0.436 512 V N 1.209 120.762 119.914 -0.602 0.000 3.078 512 V HA 0.278 4.403 4.120 0.008 0.000 0.344 512 V C 0.588 176.473 176.094 -0.348 0.000 1.409 512 V CA -0.049 61.926 62.300 -0.542 0.000 1.146 512 V CB -0.982 30.171 31.823 -1.117 0.000 1.126 512 V HN 0.525 nan 8.190 nan 0.000 0.513 513 S N -0.270 115.297 115.700 -0.222 0.000 2.580 513 S HA 0.009 4.483 4.470 0.008 0.000 0.261 513 S C 1.317 175.916 174.600 -0.002 0.000 1.366 513 S CA 0.807 58.967 58.200 -0.067 0.000 0.996 513 S CB 0.054 63.241 63.200 -0.021 0.000 0.902 513 S HN 0.689 nan 8.310 nan 0.000 0.566 514 H N 1.665 120.730 119.070 -0.008 0.000 2.319 514 H HA -0.211 4.350 4.556 0.009 0.000 0.297 514 H C 2.077 177.420 175.328 0.025 0.000 1.097 514 H CA 2.323 58.381 56.048 0.017 0.000 1.285 514 H CB -0.534 29.248 29.762 0.033 0.000 1.368 514 H HN 0.825 nan 8.280 nan 0.000 0.495 515 N N 0.944 119.620 118.700 -0.040 0.000 2.120 515 N HA -0.137 4.607 4.740 0.008 0.000 0.188 515 N C 2.117 177.598 175.510 -0.050 0.000 1.024 515 N CA 1.478 54.489 53.050 -0.064 0.000 0.852 515 N CB -0.294 38.231 38.487 0.065 0.000 1.003 515 N HN 0.464 nan 8.380 nan 0.000 0.424 516 A N 1.023 123.834 122.820 -0.016 0.000 1.883 516 A HA -0.103 4.222 4.320 0.008 0.000 0.217 516 A C 2.600 180.164 177.584 -0.033 0.000 1.186 516 A CA 1.761 53.826 52.037 0.047 0.000 0.624 516 A CB -0.964 18.057 19.000 0.035 0.000 0.822 516 A HN 0.197 nan 8.150 nan 0.000 0.444 517 V N 0.080 119.920 119.914 -0.124 0.000 2.332 517 V HA -0.250 3.874 4.120 0.008 0.000 0.248 517 V C 2.603 178.571 176.094 -0.209 0.000 1.055 517 V CA 2.445 64.641 62.300 -0.173 0.000 1.038 517 V CB -0.749 31.008 31.823 -0.110 0.000 0.651 517 V HN 0.729 nan 8.190 nan 0.000 0.450 518 E N 0.879 120.954 120.200 -0.209 0.000 2.204 518 E HA -0.193 4.162 4.350 0.008 0.000 0.195 518 E C 2.225 178.746 176.600 -0.131 0.000 0.990 518 E CA 1.728 58.036 56.400 -0.153 0.000 0.821 518 E CB -0.421 29.192 29.700 -0.147 0.000 0.750 518 E HN 0.774 nan 8.360 nan 0.000 0.477 519 T N -3.094 111.419 114.554 -0.068 0.000 2.951 519 T HA 0.031 4.386 4.350 0.008 0.000 0.268 519 T C 1.569 176.220 174.700 -0.082 0.000 1.073 519 T CA 0.812 62.914 62.100 0.003 0.000 1.134 519 T CB -0.653 68.338 68.868 0.206 0.000 0.884 519 T HN 0.386 nan 8.240 nan 0.000 0.479 520 G N 1.573 110.215 108.800 -0.263 0.000 2.295 520 G HA2 -0.310 3.655 3.960 0.008 0.000 0.287 520 G HA3 -0.310 3.655 3.960 0.008 0.000 0.287 520 G C 0.179 174.946 174.900 -0.222 0.000 1.055 520 G CA 0.606 45.421 45.100 -0.475 0.000 0.922 520 G HN 0.932 nan 8.290 nan 0.000 0.503 521 Y N -2.174 117.980 120.300 -0.243 0.000 2.436 521 Y HA 0.456 5.011 4.550 0.008 0.000 0.288 521 Y C 2.288 177.944 175.900 -0.407 0.000 1.112 521 Y CA 0.576 58.476 58.100 -0.333 0.000 1.220 521 Y CB -0.342 37.722 38.460 -0.660 0.000 1.073 521 Y HN 0.207 nan 8.280 nan 0.000 0.552 522 L N 1.086 121.414 121.223 -1.492 0.000 2.089 522 L HA -0.302 4.043 4.340 0.008 0.000 0.213 522 L C 1.411 177.836 176.870 -0.743 0.000 1.079 522 L CA 2.136 56.205 54.840 -1.286 0.000 0.758 522 L CB -0.476 40.913 42.059 -1.117 0.000 0.891 522 L HN 0.424 nan 8.230 nan 0.000 0.433 523 N N -0.401 117.981 118.700 -0.530 0.000 2.028 523 N HA -0.202 4.543 4.740 0.008 0.000 0.194 523 N C 1.943 177.269 175.510 -0.306 0.000 1.050 523 N CA 1.817 54.647 53.050 -0.366 0.000 0.848 523 N CB -0.621 37.696 38.487 -0.283 0.000 1.038 523 N HN 0.359 nan 8.380 nan 0.000 0.423 524 S N 0.587 116.145 115.700 -0.237 0.000 2.359 524 S HA -0.136 4.339 4.470 0.008 0.000 0.224 524 S C 2.139 176.602 174.600 -0.228 0.000 1.035 524 S CA 1.382 59.479 58.200 -0.172 0.000 1.018 524 S CB -1.062 62.094 63.200 -0.072 0.000 0.876 524 S HN 0.111 nan 8.310 nan 0.000 0.448 525 V N 1.772 121.493 119.914 -0.322 0.000 2.231 525 V HA -0.272 3.853 4.120 0.008 0.000 0.248 525 V C 2.952 178.806 176.094 -0.399 0.000 1.054 525 V CA 1.979 64.036 62.300 -0.405 0.000 1.015 525 V CB -1.427 29.982 31.823 -0.689 0.000 0.638 525 V HN 0.693 nan 8.190 nan 0.000 0.444 526 C N -0.721 118.295 119.300 -0.472 0.000 2.413 526 C HA -0.190 4.275 4.460 0.008 0.000 0.276 526 C C 2.888 177.718 174.990 -0.267 0.000 1.248 526 C CA 1.388 60.175 59.018 -0.384 0.000 1.742 526 C CB -0.959 26.534 27.740 -0.412 0.000 2.017 526 C HN 0.636 nan 8.230 nan 0.000 0.481 527 Q N 1.352 121.009 119.800 -0.237 0.000 2.084 527 Q HA -0.132 4.213 4.340 0.008 0.000 0.202 527 Q C 2.258 178.174 176.000 -0.141 0.000 0.978 527 Q CA 2.236 57.937 55.803 -0.171 0.000 0.844 527 Q CB -0.404 28.245 28.738 -0.148 0.000 0.898 527 Q HN 0.623 nan 8.270 nan 0.000 0.426 528 S N -0.172 115.441 115.700 -0.145 0.000 2.383 528 S HA -0.050 4.425 4.470 0.008 0.000 0.227 528 S C 1.778 176.315 174.600 -0.106 0.000 1.026 528 S CA 0.922 59.059 58.200 -0.104 0.000 0.981 528 S CB -0.251 62.898 63.200 -0.085 0.000 0.818 528 S HN 0.362 nan 8.310 nan 0.000 0.472 529 L N 0.984 122.113 121.223 -0.157 0.000 2.046 529 L HA -0.091 4.254 4.340 0.008 0.000 0.208 529 L C 2.232 179.037 176.870 -0.108 0.000 1.077 529 L CA 1.064 55.806 54.840 -0.163 0.000 0.747 529 L CB -0.451 41.459 42.059 -0.249 0.000 0.896 529 L HN 0.313 nan 8.230 nan 0.000 0.432 530 L N -0.565 120.589 121.223 -0.116 0.000 1.989 530 L HA -0.282 4.063 4.340 0.008 0.000 0.211 530 L C 2.291 179.124 176.870 -0.062 0.000 1.071 530 L CA 1.422 56.210 54.840 -0.087 0.000 0.749 530 L CB -0.753 41.246 42.059 -0.101 0.000 0.890 530 L HN 0.332 nan 8.230 nan 0.000 0.431 531 D N 0.067 120.427 120.400 -0.067 0.000 2.190 531 D HA -0.164 4.481 4.640 0.008 0.000 0.200 531 D C 1.175 177.454 176.300 -0.034 0.000 0.992 531 D CA 1.212 55.182 54.000 -0.049 0.000 0.854 531 D CB -0.217 40.551 40.800 -0.053 0.000 0.936 531 D HN 0.422 nan 8.370 nan 0.000 0.462 532 N N 0.261 118.940 118.700 -0.035 0.000 2.275 532 N HA 0.024 4.769 4.740 0.008 0.000 0.236 532 N C 1.418 176.920 175.510 -0.013 0.000 1.154 532 N CA -0.199 52.839 53.050 -0.020 0.000 0.866 532 N CB 0.918 39.395 38.487 -0.017 0.000 1.093 532 N HN 0.046 nan 8.380 nan 0.000 0.515 533 L N 1.722 122.939 121.223 -0.009 0.000 1.989 533 L HA -0.131 4.214 4.340 0.008 0.000 0.211 533 L C 1.553 178.446 176.870 0.037 0.000 1.071 533 L CA 1.917 56.768 54.840 0.017 0.000 0.749 533 L CB -0.447 41.625 42.059 0.022 0.000 0.890 533 L HN 0.120 nan 8.230 nan 0.000 0.431 534 D N -0.956 119.462 120.400 0.030 0.000 2.350 534 D HA -0.101 4.544 4.640 0.008 0.000 0.216 534 D C 2.027 178.351 176.300 0.041 0.000 0.968 534 D CA 0.769 54.792 54.000 0.039 0.000 0.894 534 D CB 0.210 41.026 40.800 0.028 0.000 0.909 534 D HN 0.385 nan 8.370 nan 0.000 0.520 535 L N 0.366 121.606 121.223 0.029 0.000 2.585 535 L HA 0.138 4.483 4.340 0.008 0.000 0.226 535 L C 0.820 177.711 176.870 0.034 0.000 1.113 535 L CA -0.074 54.782 54.840 0.028 0.000 0.876 535 L CB 0.168 42.235 42.059 0.013 0.000 1.072 535 L HN -0.137 nan 8.230 nan 0.000 0.468 536 L N 2.115 123.358 121.223 0.033 0.000 2.559 536 L HA 0.065 4.410 4.340 0.008 0.000 0.274 536 L C -1.896 175.072 176.870 0.163 0.000 1.205 536 L CA -1.574 53.283 54.840 0.028 0.000 0.907 536 L CB -0.480 41.575 42.059 -0.007 0.000 1.153 536 L HN -0.180 nan 8.230 nan 0.000 0.490 537 P HA 0.153 nan 4.420 nan 0.000 0.262 537 P C 0.115 177.613 177.300 0.330 0.000 1.182 537 P CA 0.350 63.599 63.100 0.247 0.000 0.761 537 P CB 0.680 32.529 31.700 0.249 0.000 0.795 538 G N 1.799 110.735 108.800 0.227 0.000 2.317 538 G HA2 0.173 4.138 3.960 0.008 0.000 0.445 538 G HA3 0.173 4.138 3.960 0.008 0.000 0.445 538 G C -0.939 174.037 174.900 0.126 0.000 1.486 538 G CA -0.886 44.327 45.100 0.188 0.000 0.991 538 G HN 0.585 nan 8.290 nan 0.000 0.660 539 N N -1.251 117.502 118.700 0.089 0.000 2.645 539 N HA 0.552 5.297 4.740 0.008 0.000 0.308 539 N C 1.809 177.351 175.510 0.054 0.000 1.335 539 N CA 0.523 53.612 53.050 0.065 0.000 0.909 539 N CB -0.403 38.114 38.487 0.049 0.000 1.109 539 N HN 0.889 nan 8.380 nan 0.000 0.555 540 T N -3.094 111.483 114.554 0.039 0.000 2.977 540 T HA -0.038 4.317 4.350 0.008 0.000 0.271 540 T C 1.268 175.982 174.700 0.022 0.000 1.105 540 T CA 0.756 62.876 62.100 0.033 0.000 1.116 540 T CB -0.330 68.553 68.868 0.026 0.000 0.878 540 T HN 0.334 nan 8.240 nan 0.000 0.509 541 R N 1.153 121.658 120.500 0.009 0.000 2.307 541 R HA 0.080 4.425 4.340 0.008 0.000 0.199 541 R C 0.427 176.706 176.300 -0.035 0.000 1.000 541 R CA 0.255 56.344 56.100 -0.017 0.000 1.023 541 R CB -0.485 29.793 30.300 -0.035 0.000 0.908 541 R HN 0.349 nan 8.270 nan 0.000 0.473 542 T N 2.299 116.849 114.554 -0.007 0.000 2.905 542 T HA 0.001 4.356 4.350 0.008 0.000 0.299 542 T C 0.266 174.964 174.700 -0.003 0.000 1.024 542 T CA 0.793 62.887 62.100 -0.010 0.000 1.151 542 T CB 0.658 69.585 68.868 0.097 0.000 0.987 542 T HN 0.028 nan 8.240 nan 0.000 0.535 543 K N 2.825 123.189 120.400 -0.059 0.000 2.292 543 K HA 0.618 4.943 4.320 0.008 0.000 0.257 543 K C -0.625 175.984 176.600 0.014 0.000 0.940 543 K CA -0.705 55.567 56.287 -0.025 0.000 0.811 543 K CB 2.512 34.967 32.500 -0.074 0.000 1.120 543 K HN 0.512 nan 8.250 nan 0.000 0.428 544 I N 0.607 121.222 120.570 0.074 0.000 2.785 544 I HA 0.634 4.809 4.170 0.008 0.000 0.302 544 I C -0.662 175.443 176.117 -0.020 0.000 1.069 544 I CA -0.370 60.978 61.300 0.080 0.000 1.045 544 I CB 2.122 40.240 38.000 0.198 0.000 1.236 544 I HN 0.743 nan 8.210 nan 0.000 0.429 545 G N 4.549 113.199 108.800 -0.250 0.000 2.708 545 G HA2 0.726 4.691 3.960 0.008 0.000 0.289 545 G HA3 0.726 4.691 3.960 0.008 0.000 0.289 545 G C -2.069 172.423 174.900 -0.680 0.000 1.416 545 G CA -0.448 44.526 45.100 -0.209 0.000 0.829 545 G HN 0.400 nan 8.290 nan 0.000 0.480 546 F N -0.751 119.297 119.950 0.163 0.000 2.615 546 F HA 0.657 5.188 4.527 0.008 0.000 0.312 546 F C -0.302 175.563 175.800 0.107 0.000 1.119 546 F CA -0.632 57.405 58.000 0.062 0.000 0.979 546 F CB 2.535 41.514 39.000 -0.036 0.000 1.266 546 F HN 0.269 nan 8.300 nan 0.000 0.444 547 I N 2.009 122.680 120.570 0.168 0.000 2.571 547 I HA 0.460 4.635 4.170 0.008 0.000 0.289 547 I C -0.674 175.577 176.117 0.223 0.000 1.115 547 I CA -0.551 60.856 61.300 0.178 0.000 1.045 547 I CB 2.723 40.702 38.000 -0.035 0.000 1.238 547 I HN 0.697 nan 8.210 nan 0.000 0.424 548 T N 2.366 117.153 114.554 0.388 0.000 2.949 548 T HA 0.891 5.246 4.350 0.008 0.000 0.287 548 T C -0.684 174.063 174.700 0.078 0.000 1.034 548 T CA -0.701 61.581 62.100 0.302 0.000 1.018 548 T CB 2.145 71.255 68.868 0.404 0.000 1.135 548 T HN 0.477 nan 8.240 nan 0.000 0.532 549 F N -0.732 119.040 119.950 -0.296 0.000 2.725 549 F HA 0.685 5.216 4.527 0.007 0.000 0.309 549 F C -1.199 174.422 175.800 -0.297 0.000 1.132 549 F CA -1.028 56.634 58.000 -0.563 0.000 0.957 549 F CB 0.684 39.487 39.000 -0.328 0.000 1.286 549 F HN 0.739 nan 8.300 nan 0.000 0.440 550 D N 0.090 120.398 120.400 -0.152 0.000 3.208 550 D HA 0.188 4.833 4.640 0.008 0.000 0.138 550 D C 1.104 177.460 176.300 0.093 0.000 1.289 550 D CA 0.639 54.621 54.000 -0.029 0.000 1.530 550 D CB -0.511 40.307 40.800 0.030 0.000 1.601 550 D HN 0.462 nan 8.370 nan 0.000 0.238 551 S N -0.938 114.823 115.700 0.101 0.000 2.562 551 S HA 0.201 4.676 4.470 0.008 0.000 0.221 551 S C 0.741 175.398 174.600 0.096 0.000 0.975 551 S CA 0.732 58.990 58.200 0.097 0.000 0.918 551 S CB -1.015 62.239 63.200 0.089 0.000 0.772 551 S HN 0.770 nan 8.310 nan 0.000 0.531 552 T N -0.931 113.688 114.554 0.109 0.000 2.865 552 T HA 0.739 5.094 4.350 0.008 0.000 0.294 552 T C -0.942 173.689 174.700 -0.114 0.000 1.119 552 T CA -1.016 61.139 62.100 0.091 0.000 1.007 552 T CB 0.957 69.964 68.868 0.232 0.000 1.225 552 T HN -0.001 nan 8.240 nan 0.000 0.515 553 I N 2.012 122.537 120.570 -0.074 0.000 2.315 553 I HA 0.321 4.496 4.170 0.008 0.000 0.291 553 I C -0.084 175.972 176.117 -0.103 0.000 1.006 553 I CA -0.452 60.715 61.300 -0.221 0.000 1.265 553 I CB 0.708 38.571 38.000 -0.229 0.000 1.387 553 I HN 0.679 nan 8.210 nan 0.000 0.475 554 H N 6.324 125.350 119.070 -0.073 0.000 2.638 554 H HA 0.429 4.990 4.556 0.007 0.000 0.303 554 H C -0.823 174.473 175.328 -0.054 0.000 1.034 554 H CA -0.727 55.306 56.048 -0.025 0.000 1.225 554 H CB 0.570 30.420 29.762 0.146 0.000 1.394 554 H HN 0.329 nan 8.280 nan 0.000 0.477 555 F N 1.708 121.739 119.950 0.134 0.000 2.370 555 F HA 0.275 4.806 4.527 0.007 0.000 0.324 555 F C -0.137 175.678 175.800 0.025 0.000 1.116 555 F CA -0.374 57.734 58.000 0.180 0.000 1.123 555 F CB 0.754 39.804 39.000 0.085 0.000 1.238 555 F HN 0.461 nan 8.300 nan 0.000 0.536 556 Y N 0.318 120.842 120.300 0.374 0.000 2.402 556 Y HA 0.449 5.004 4.550 0.009 0.000 0.325 556 Y C 0.431 176.467 175.900 0.227 0.000 1.009 556 Y CA -1.132 57.128 58.100 0.266 0.000 1.278 556 Y CB 1.369 39.985 38.460 0.259 0.000 1.105 556 Y HN 0.685 nan 8.280 nan 0.000 0.476 557 G N 3.454 112.400 108.800 0.243 0.000 2.444 557 G HA2 0.590 4.555 3.960 0.008 0.000 0.268 557 G HA3 0.590 4.555 3.960 0.008 0.000 0.268 557 G C -0.973 174.028 174.900 0.168 0.000 1.203 557 G CA -0.517 44.691 45.100 0.179 0.000 0.835 557 G HN 0.568 nan 8.290 nan 0.000 0.543 558 L N 1.751 123.062 121.223 0.147 0.000 2.457 558 L HA 0.376 4.721 4.340 0.008 0.000 0.266 558 L C -0.383 176.540 176.870 0.087 0.000 0.979 558 L CA -0.382 54.532 54.840 0.122 0.000 0.857 558 L CB 1.757 43.906 42.059 0.149 0.000 1.213 558 L HN 0.476 nan 8.230 nan 0.000 0.418 559 Q N 1.691 121.530 119.800 0.066 0.000 2.337 559 Q HA 0.200 4.545 4.340 0.008 0.000 0.270 559 Q C 0.315 176.338 176.000 0.039 0.000 1.043 559 Q CA -0.506 55.326 55.803 0.049 0.000 0.794 559 Q CB 3.193 31.955 28.738 0.040 0.000 1.281 559 Q HN 0.549 nan 8.270 nan 0.000 0.446 560 E N 1.156 121.376 120.200 0.034 0.000 2.204 560 E HA -0.193 4.162 4.350 0.008 0.000 0.195 560 E C 1.382 177.994 176.600 0.021 0.000 0.990 560 E CA 1.664 58.080 56.400 0.027 0.000 0.821 560 E CB 0.301 30.016 29.700 0.025 0.000 0.750 560 E HN 0.675 nan 8.360 nan 0.000 0.477 561 S N -0.257 115.455 115.700 0.020 0.000 2.453 561 S HA -0.021 4.454 4.470 0.008 0.000 0.231 561 S C 0.901 175.510 174.600 0.015 0.000 1.005 561 S CA 0.126 58.336 58.200 0.016 0.000 0.949 561 S CB -0.187 63.022 63.200 0.015 0.000 0.774 561 S HN 0.120 nan 8.310 nan 0.000 0.510 562 L N 1.486 122.720 121.223 0.019 0.000 2.343 562 L HA 0.401 4.746 4.340 0.008 0.000 0.275 562 L C 1.321 178.199 176.870 0.014 0.000 1.056 562 L CA -0.634 54.216 54.840 0.017 0.000 0.804 562 L CB 1.384 43.456 42.059 0.022 0.000 1.203 562 L HN 0.044 nan 8.230 nan 0.000 0.440 563 S N 0.639 116.344 115.700 0.008 0.000 2.383 563 S HA -0.144 4.331 4.470 0.008 0.000 0.229 563 S C 0.361 174.964 174.600 0.004 0.000 1.030 563 S CA 1.170 59.373 58.200 0.004 0.000 1.002 563 S CB -0.202 62.997 63.200 -0.001 0.000 0.829 563 S HN 0.758 nan 8.310 nan 0.000 0.467 564 Q N -0.233 119.572 119.800 0.009 0.000 2.482 564 Q HA 0.464 4.809 4.340 0.008 0.000 0.286 564 Q C -3.375 172.643 176.000 0.029 0.000 1.007 564 Q CA -2.228 53.583 55.803 0.012 0.000 0.801 564 Q CB 0.970 29.708 28.738 0.000 0.000 1.455 564 Q HN -0.067 nan 8.270 nan 0.000 0.398 565 P HA -0.079 nan 4.420 nan 0.000 0.266 565 P C -1.046 176.297 177.300 0.072 0.000 1.195 565 P CA 0.354 63.508 63.100 0.089 0.000 0.768 565 P CB 0.498 32.280 31.700 0.137 0.000 0.838 566 Q N 2.313 122.154 119.800 0.068 0.000 2.303 566 Q HA 0.461 4.806 4.340 0.008 0.000 0.257 566 Q C -0.065 175.900 176.000 -0.058 0.000 0.941 566 Q CA -0.562 55.250 55.803 0.015 0.000 0.931 566 Q CB 1.374 30.127 28.738 0.025 0.000 1.215 566 Q HN 0.480 nan 8.270 nan 0.000 0.437 567 M N 4.998 124.502 119.600 -0.160 0.000 2.435 567 M HA 0.238 4.723 4.480 0.008 0.000 0.344 567 M C -1.510 174.683 176.300 -0.178 0.000 1.329 567 M CA -0.439 54.624 55.300 -0.394 0.000 1.320 567 M CB 0.097 32.454 32.600 -0.405 0.000 1.309 567 M HN 0.658 nan 8.290 nan 0.000 0.451 568 L N 6.292 127.475 121.223 -0.067 0.000 2.325 568 L HA 0.350 4.695 4.340 0.008 0.000 0.284 568 L C -0.461 176.498 176.870 0.149 0.000 1.089 568 L CA -0.060 54.819 54.840 0.064 0.000 0.836 568 L CB 0.215 42.337 42.059 0.106 0.000 1.184 568 L HN 0.646 nan 8.230 nan 0.000 0.444 569 I N 4.564 125.202 120.570 0.114 0.000 2.312 569 I HA 0.241 4.416 4.170 0.008 0.000 0.290 569 I C -0.074 176.135 176.117 0.154 0.000 1.008 569 I CA -0.579 60.818 61.300 0.163 0.000 1.226 569 I CB 1.857 39.924 38.000 0.112 0.000 1.371 569 I HN 0.319 nan 8.210 nan 0.000 0.468 570 V N 5.991 125.991 119.914 0.144 0.000 2.394 570 V HA 0.356 4.481 4.120 0.008 0.000 0.282 570 V C 0.861 177.007 176.094 0.087 0.000 1.031 570 V CA 0.206 62.537 62.300 0.051 0.000 0.881 570 V CB 1.779 33.474 31.823 -0.213 0.000 0.982 570 V HN 0.882 nan 8.190 nan 0.000 0.451 571 S N 2.505 118.274 115.700 0.115 0.000 2.524 571 S HA 0.166 4.641 4.470 0.008 0.000 0.215 571 S C 0.578 175.240 174.600 0.103 0.000 0.986 571 S CA 0.118 58.383 58.200 0.109 0.000 0.911 571 S CB -0.060 63.205 63.200 0.109 0.000 0.805 571 S HN 0.813 nan 8.310 nan 0.000 0.501 572 D N 1.950 122.428 120.400 0.131 0.000 2.470 572 D HA 0.290 4.935 4.640 0.008 0.000 0.226 572 D C 0.846 177.209 176.300 0.106 0.000 1.196 572 D CA -0.285 53.798 54.000 0.138 0.000 0.979 572 D CB -0.127 40.804 40.800 0.218 0.000 1.059 572 D HN 0.322 nan 8.370 nan 0.000 0.515 573 I N 1.914 122.526 120.570 0.070 0.000 2.493 573 I HA -0.203 3.972 4.170 0.008 0.000 0.254 573 I C 1.493 177.633 176.117 0.040 0.000 1.160 573 I CA 0.884 62.209 61.300 0.042 0.000 1.445 573 I CB 0.178 38.192 38.000 0.024 0.000 1.086 573 I HN 0.219 nan 8.210 nan 0.000 0.433 574 E N -0.236 119.995 120.200 0.053 0.000 2.479 574 E HA -0.052 4.303 4.350 0.008 0.000 0.193 574 E C -0.011 176.635 176.600 0.077 0.000 1.049 574 E CA 0.275 56.704 56.400 0.048 0.000 0.870 574 E CB 0.252 29.974 29.700 0.038 0.000 0.944 574 E HN 0.177 nan 8.360 nan 0.000 0.492 575 D N -0.156 120.313 120.400 0.115 0.000 3.060 575 D HA 0.090 4.735 4.640 0.008 0.000 0.326 575 D C -0.883 175.574 176.300 0.261 0.000 1.253 575 D CA -0.229 53.867 54.000 0.161 0.000 0.737 575 D CB 0.325 41.212 40.800 0.146 0.000 1.260 575 D HN -0.233 nan 8.370 nan 0.000 0.542 576 V N 1.726 121.755 119.914 0.191 0.000 3.178 576 V HA 0.342 4.467 4.120 0.008 0.000 0.306 576 V C 0.332 176.589 176.094 0.271 0.000 1.107 576 V CA 0.501 62.893 62.300 0.155 0.000 1.195 576 V CB 0.137 32.022 31.823 0.103 0.000 0.993 576 V HN 0.372 nan 8.190 nan 0.000 0.493 577 F N 1.344 121.367 119.950 0.123 0.000 2.744 577 F HA 0.600 5.131 4.527 0.006 0.000 0.311 577 F C -1.225 174.559 175.800 -0.026 0.000 1.144 577 F CA -1.573 56.459 58.000 0.054 0.000 0.938 577 F CB 0.823 39.838 39.000 0.025 0.000 1.292 577 F HN 0.136 nan 8.300 nan 0.000 0.444 578 I N 3.724 124.308 120.570 0.023 0.000 2.471 578 I HA 0.187 4.362 4.170 0.008 0.000 0.286 578 I C -1.313 174.730 176.117 -0.124 0.000 1.079 578 I CA -2.257 58.866 61.300 -0.295 0.000 1.398 578 I CB 0.604 38.495 38.000 -0.182 0.000 1.403 578 I HN 0.579 nan 8.210 nan 0.000 0.530 579 P HA 0.009 nan 4.420 nan 0.000 0.225 579 P C 0.352 177.633 177.300 -0.032 0.000 1.156 579 P CA 0.922 63.987 63.100 -0.058 0.000 0.787 579 P CB 1.087 32.689 31.700 -0.164 0.000 0.802 580 M N -0.261 119.266 119.600 -0.121 0.000 2.575 580 M HA 0.343 4.827 4.480 0.008 0.000 0.284 580 M C -2.183 174.081 176.300 -0.060 0.000 1.253 580 M CA -2.046 53.220 55.300 -0.055 0.000 0.861 580 M CB 3.434 36.013 32.600 -0.035 0.000 1.733 580 M HN -0.355 nan 8.290 nan 0.000 0.462 581 P HA 0.148 nan 4.420 nan 0.000 0.259 581 P C 0.208 177.498 177.300 -0.017 0.000 1.233 581 P CA 0.689 63.773 63.100 -0.027 0.000 0.827 581 P CB 0.594 32.283 31.700 -0.018 0.000 1.154 582 E N -0.148 120.049 120.200 -0.005 0.000 2.391 582 E HA 0.093 4.448 4.350 0.008 0.000 0.206 582 E C 0.775 177.388 176.600 0.022 0.000 0.851 582 E CA 0.011 56.414 56.400 0.006 0.000 1.059 582 E CB 0.383 30.087 29.700 0.008 0.000 1.065 582 E HN -0.036 nan 8.360 nan 0.000 0.512 583 N N 1.000 119.722 118.700 0.035 0.000 2.328 583 N HA 0.170 4.915 4.740 0.008 0.000 0.247 583 N C 0.977 176.547 175.510 0.099 0.000 1.165 583 N CA 0.067 53.155 53.050 0.063 0.000 0.873 583 N CB 1.053 39.581 38.487 0.067 0.000 1.125 583 N HN 0.235 nan 8.380 nan 0.000 0.513 584 L N -0.499 120.776 121.223 0.087 0.000 2.253 584 L HA 0.258 4.603 4.340 0.008 0.000 0.205 584 L C 0.658 177.611 176.870 0.137 0.000 1.078 584 L CA 0.694 55.619 54.840 0.143 0.000 0.805 584 L CB 0.302 42.425 42.059 0.107 0.000 0.963 584 L HN 0.039 nan 8.230 nan 0.000 0.459 585 L N 2.369 123.637 121.223 0.075 0.000 2.371 585 L HA 0.304 4.649 4.340 0.008 0.000 0.262 585 L C -0.261 176.637 176.870 0.047 0.000 1.054 585 L CA -0.597 54.270 54.840 0.045 0.000 0.924 585 L CB 1.346 43.404 42.059 -0.001 0.000 1.295 585 L HN -0.049 nan 8.230 nan 0.000 0.441 586 V N 0.051 120.014 119.914 0.082 0.000 2.997 586 V HA 0.382 4.507 4.120 0.008 0.000 0.311 586 V C 0.334 176.469 176.094 0.070 0.000 1.066 586 V CA -0.833 61.516 62.300 0.081 0.000 1.039 586 V CB 1.723 33.616 31.823 0.116 0.000 1.081 586 V HN 0.681 nan 8.190 nan 0.000 0.467 587 N N 1.999 120.733 118.700 0.058 0.000 2.402 587 N HA 0.056 4.801 4.740 0.008 0.000 0.252 587 N C 0.642 176.197 175.510 0.074 0.000 1.118 587 N CA -0.247 52.833 53.050 0.051 0.000 0.945 587 N CB 1.072 39.580 38.487 0.035 0.000 1.147 587 N HN 0.878 nan 8.380 nan 0.000 0.495 588 L N 5.616 126.895 121.223 0.093 0.000 1.990 588 L HA -0.219 4.126 4.340 0.008 0.000 0.213 588 L C 1.960 178.883 176.870 0.088 0.000 1.072 588 L CA 1.909 56.818 54.840 0.115 0.000 0.755 588 L CB -0.958 41.188 42.059 0.145 0.000 0.889 588 L HN 0.710 nan 8.230 nan 0.000 0.432 589 N N -1.021 117.722 118.700 0.073 0.000 2.036 589 N HA -0.260 4.485 4.740 0.008 0.000 0.195 589 N C 1.717 177.256 175.510 0.049 0.000 1.037 589 N CA 1.825 54.909 53.050 0.057 0.000 0.855 589 N CB -0.076 38.439 38.487 0.047 0.000 1.033 589 N HN 0.550 nan 8.380 nan 0.000 0.423 590 E N -0.656 119.573 120.200 0.047 0.000 2.216 590 E HA 0.001 4.356 4.350 0.008 0.000 0.192 590 E C 0.830 177.458 176.600 0.046 0.000 0.988 590 E CA 0.654 57.078 56.400 0.041 0.000 0.834 590 E CB 0.258 29.980 29.700 0.035 0.000 0.772 590 E HN 0.264 nan 8.360 nan 0.000 0.479 591 S N 0.443 116.179 115.700 0.060 0.000 2.568 591 S HA 0.078 4.553 4.470 0.008 0.000 0.232 591 S C 1.145 175.788 174.600 0.071 0.000 0.975 591 S CA -0.292 57.948 58.200 0.067 0.000 0.949 591 S CB 0.418 63.668 63.200 0.085 0.000 0.829 591 S HN 0.081 nan 8.310 nan 0.000 0.479 592 K N 2.911 123.350 120.400 0.065 0.000 2.071 592 K HA -0.249 4.076 4.320 0.008 0.000 0.217 592 K C 1.761 178.385 176.600 0.041 0.000 1.054 592 K CA 1.988 58.310 56.287 0.060 0.000 0.937 592 K CB -0.172 32.355 32.500 0.046 0.000 0.719 592 K HN 0.223 nan 8.250 nan 0.000 0.454 593 E N 0.429 120.647 120.200 0.029 0.000 2.033 593 E HA -0.230 4.125 4.350 0.008 0.000 0.199 593 E C 2.235 178.841 176.600 0.011 0.000 1.011 593 E CA 1.866 58.274 56.400 0.013 0.000 0.815 593 E CB -0.478 29.229 29.700 0.012 0.000 0.755 593 E HN 0.404 nan 8.360 nan 0.000 0.451 594 L N 1.025 122.264 121.223 0.027 0.000 2.043 594 L HA -0.183 4.162 4.340 0.008 0.000 0.212 594 L C 2.807 179.691 176.870 0.023 0.000 1.075 594 L CA 1.455 56.313 54.840 0.031 0.000 0.752 594 L CB -0.887 41.205 42.059 0.055 0.000 0.891 594 L HN 0.096 nan 8.230 nan 0.000 0.432 595 V N -2.878 117.063 119.914 0.046 0.000 2.719 595 V HA -0.180 3.945 4.120 0.008 0.000 0.252 595 V C 2.138 178.185 176.094 -0.079 0.000 1.065 595 V CA 1.118 63.434 62.300 0.025 0.000 1.086 595 V CB -0.439 31.494 31.823 0.183 0.000 0.700 595 V HN 0.478 nan 8.190 nan 0.000 0.467 596 Q N 0.089 119.862 119.800 -0.044 0.000 2.119 596 Q HA -0.164 4.180 4.340 0.008 0.000 0.201 596 Q C 2.064 178.004 176.000 -0.101 0.000 0.972 596 Q CA 1.883 57.642 55.803 -0.073 0.000 0.847 596 Q CB -0.212 28.501 28.738 -0.042 0.000 0.903 596 Q HN 0.680 nan 8.270 nan 0.000 0.433 597 D N 0.641 120.992 120.400 -0.081 0.000 2.097 597 D HA -0.134 4.511 4.640 0.008 0.000 0.197 597 D C 1.926 178.152 176.300 -0.123 0.000 0.984 597 D CA 0.685 54.634 54.000 -0.084 0.000 0.826 597 D CB -0.069 40.700 40.800 -0.052 0.000 0.973 597 D HN 0.100 nan 8.370 nan 0.000 0.460 598 L N 1.102 122.235 121.223 -0.149 0.000 2.012 598 L HA -0.156 4.189 4.340 0.008 0.000 0.210 598 L C 2.317 179.000 176.870 -0.312 0.000 1.073 598 L CA 1.402 56.110 54.840 -0.220 0.000 0.748 598 L CB -0.577 41.303 42.059 -0.298 0.000 0.891 598 L HN 0.015 nan 8.230 nan 0.000 0.431 599 L N -0.955 120.057 121.223 -0.353 0.000 2.191 599 L HA -0.219 4.125 4.340 0.008 0.000 0.212 599 L C 2.312 179.025 176.870 -0.261 0.000 1.103 599 L CA 1.236 55.868 54.840 -0.348 0.000 0.769 599 L CB -0.535 41.344 42.059 -0.299 0.000 0.908 599 L HN 0.307 nan 8.230 nan 0.000 0.438 600 K N -1.187 119.092 120.400 -0.203 0.000 2.361 600 K HA 0.035 4.359 4.320 0.008 0.000 0.196 600 K C 1.858 178.358 176.600 -0.166 0.000 1.039 600 K CA 0.811 56.996 56.287 -0.169 0.000 1.001 600 K CB 0.197 32.620 32.500 -0.129 0.000 0.795 600 K HN 0.214 nan 8.250 nan 0.000 0.495 601 T N 1.635 116.087 114.554 -0.170 0.000 2.983 601 T HA 0.080 4.435 4.350 0.008 0.000 0.250 601 T C 1.863 176.454 174.700 -0.182 0.000 1.037 601 T CA 0.316 62.324 62.100 -0.154 0.000 1.142 601 T CB -0.022 68.776 68.868 -0.115 0.000 0.876 601 T HN 0.026 nan 8.240 nan 0.000 0.455 602 L N 1.163 122.267 121.223 -0.199 0.000 1.997 602 L HA -0.128 4.217 4.340 0.008 0.000 0.216 602 L C -0.508 176.253 176.870 -0.182 0.000 1.074 602 L CA 1.828 56.563 54.840 -0.174 0.000 0.763 602 L CB -1.765 40.171 42.059 -0.206 0.000 0.890 602 L HN 0.196 nan 8.230 nan 0.000 0.434 603 P HA -0.217 nan 4.420 nan 0.000 0.216 603 P C 1.196 178.375 177.300 -0.202 0.000 1.153 603 P CA 1.445 64.397 63.100 -0.246 0.000 0.858 603 P CB -0.053 31.483 31.700 -0.273 0.000 0.789 604 Q N -1.950 117.728 119.800 -0.203 0.000 2.482 604 Q HA 0.101 4.446 4.340 0.008 0.000 0.209 604 Q C 1.946 177.798 176.000 -0.247 0.000 0.961 604 Q CA 0.494 56.182 55.803 -0.191 0.000 0.945 604 Q CB -0.369 28.272 28.738 -0.163 0.000 1.012 604 Q HN 0.342 nan 8.270 nan 0.000 0.515 605 M N -0.689 118.686 119.600 -0.376 0.000 2.349 605 M HA -0.012 4.473 4.480 0.008 0.000 0.266 605 M C 0.306 176.064 176.300 -0.904 0.000 1.076 605 M CA 1.298 56.183 55.300 -0.692 0.000 1.126 605 M CB 0.455 32.447 32.600 -1.013 0.000 1.392 605 M HN 0.202 nan 8.290 nan 0.000 0.440 606 F N -1.723 118.180 119.950 -0.079 0.000 2.688 606 F HA 0.192 4.723 4.527 0.008 0.000 0.310 606 F C 1.861 177.625 175.800 -0.060 0.000 1.098 606 F CA -0.073 57.892 58.000 -0.059 0.000 1.228 606 F CB -0.943 38.024 39.000 -0.054 0.000 1.042 606 F HN -0.001 nan 8.300 nan 0.000 0.557 607 T N 0.190 114.747 114.554 0.006 0.000 2.624 607 T HA -0.322 4.033 4.350 0.008 0.000 0.266 607 T C 1.579 176.298 174.700 0.032 0.000 1.050 607 T CA 1.933 64.027 62.100 -0.010 0.000 1.163 607 T CB -0.363 68.474 68.868 -0.052 0.000 0.861 607 T HN 0.338 nan 8.240 nan 0.000 0.443 608 K N 1.230 121.649 120.400 0.032 0.000 2.458 608 K HA 0.177 4.502 4.320 0.008 0.000 0.194 608 K C 0.520 177.174 176.600 0.089 0.000 1.024 608 K CA -0.031 56.287 56.287 0.051 0.000 1.108 608 K CB 0.008 32.521 32.500 0.020 0.000 0.846 608 K HN 0.186 nan 8.250 nan 0.000 0.518 609 T N 1.522 116.154 114.554 0.131 0.000 2.939 609 T HA -0.063 4.292 4.350 0.008 0.000 0.312 609 T C 0.844 175.635 174.700 0.152 0.000 1.064 609 T CA 0.452 62.648 62.100 0.160 0.000 1.136 609 T CB 0.658 69.652 68.868 0.210 0.000 1.035 609 T HN 0.221 nan 8.240 nan 0.000 0.538 610 L N 1.331 122.615 121.223 0.102 0.000 2.858 610 L HA 0.192 4.537 4.340 0.008 0.000 0.251 610 L C 0.594 177.489 176.870 0.041 0.000 1.149 610 L CA 0.010 54.875 54.840 0.042 0.000 0.955 610 L CB 0.316 42.384 42.059 0.015 0.000 1.289 610 L HN 0.581 nan 8.230 nan 0.000 0.542 611 E N 0.316 120.567 120.200 0.086 0.000 2.465 611 E HA -0.096 4.259 4.350 0.008 0.000 0.260 611 E C 0.616 177.270 176.600 0.089 0.000 0.980 611 E CA 0.426 56.875 56.400 0.081 0.000 0.927 611 E CB 1.590 31.343 29.700 0.089 0.000 0.934 611 E HN -0.004 nan 8.360 nan 0.000 0.459 612 T N 2.332 116.925 114.554 0.065 0.000 2.964 612 T HA 0.011 4.366 4.350 0.008 0.000 0.249 612 T C 0.303 175.047 174.700 0.073 0.000 1.000 612 T CA 0.242 62.385 62.100 0.072 0.000 0.992 612 T CB 0.441 69.328 68.868 0.032 0.000 1.087 612 T HN 0.311 nan 8.240 nan 0.000 0.489 613 Q N 1.300 121.138 119.800 0.064 0.000 2.227 613 Q HA 0.595 4.940 4.340 0.008 0.000 0.245 613 Q C -1.099 174.946 176.000 0.076 0.000 0.926 613 Q CA -0.340 55.502 55.803 0.065 0.000 0.895 613 Q CB 1.859 30.632 28.738 0.057 0.000 1.230 613 Q HN 0.114 nan 8.270 nan 0.000 0.450 614 S N 0.155 115.910 115.700 0.092 0.000 2.519 614 S HA 0.559 5.034 4.470 0.008 0.000 0.309 614 S C -0.913 173.785 174.600 0.163 0.000 1.100 614 S CA -0.472 57.817 58.200 0.148 0.000 1.059 614 S CB 1.121 64.416 63.200 0.159 0.000 1.008 614 S HN 0.642 nan 8.310 nan 0.000 0.478 615 A N 4.809 127.749 122.820 0.200 0.000 3.290 615 A HA 0.327 4.652 4.320 0.008 0.000 0.297 615 A C 1.049 178.635 177.584 0.003 0.000 1.285 615 A CA -0.394 51.693 52.037 0.083 0.000 1.060 615 A CB -0.451 18.575 19.000 0.043 0.000 1.114 615 A HN 0.800 nan 8.150 nan 0.000 0.601 616 L N 0.951 122.209 121.223 0.057 0.000 2.081 616 L HA -0.106 4.239 4.340 0.008 0.000 0.212 616 L C 2.193 179.027 176.870 -0.060 0.000 1.080 616 L CA 2.689 57.484 54.840 -0.074 0.000 0.754 616 L CB -0.720 41.425 42.059 0.143 0.000 0.893 616 L HN 0.484 nan 8.230 nan 0.000 0.433 617 G N -0.598 108.183 108.800 -0.032 0.000 2.511 617 G HA2 -0.231 3.734 3.960 0.008 0.000 0.216 617 G HA3 -0.231 3.734 3.960 0.008 0.000 0.216 617 G C -0.539 174.355 174.900 -0.010 0.000 1.218 617 G CA 0.972 46.004 45.100 -0.114 0.000 0.788 617 G HN 0.364 nan 8.290 nan 0.000 0.560 618 P HA -0.073 nan 4.420 nan 0.000 0.216 618 P C 2.248 179.501 177.300 -0.079 0.000 1.153 618 P CA 2.114 65.190 63.100 -0.040 0.000 0.858 618 P CB -0.169 31.500 31.700 -0.051 0.000 0.789 619 A N -0.484 122.203 122.820 -0.222 0.000 1.865 619 A HA -0.209 4.116 4.320 0.008 0.000 0.217 619 A C 2.214 179.654 177.584 -0.239 0.000 1.191 619 A CA 1.720 53.522 52.037 -0.391 0.000 0.623 619 A CB -1.745 16.628 19.000 -1.044 0.000 0.826 619 A HN 0.110 nan 8.150 nan 0.000 0.444 620 L N -0.835 120.295 121.223 -0.155 0.000 2.079 620 L HA -0.275 4.070 4.340 0.008 0.000 0.210 620 L C 2.903 179.822 176.870 0.081 0.000 1.081 620 L CA 1.645 56.481 54.840 -0.008 0.000 0.752 620 L CB -0.680 41.434 42.059 0.091 0.000 0.896 620 L HN 0.517 nan 8.230 nan 0.000 0.433 621 Q N -0.243 119.617 119.800 0.101 0.000 2.124 621 Q HA -0.182 4.163 4.340 0.008 0.000 0.202 621 Q C 2.473 178.594 176.000 0.201 0.000 0.977 621 Q CA 1.537 57.431 55.803 0.152 0.000 0.850 621 Q CB -0.258 28.563 28.738 0.139 0.000 0.901 621 Q HN 0.575 nan 8.270 nan 0.000 0.429 622 A N 1.276 124.172 122.820 0.127 0.000 1.898 622 A HA -0.101 4.224 4.320 0.008 0.000 0.216 622 A C 2.349 180.050 177.584 0.195 0.000 1.181 622 A CA 1.501 53.649 52.037 0.185 0.000 0.620 622 A CB -0.823 18.261 19.000 0.140 0.000 0.819 622 A HN 0.389 nan 8.150 nan 0.000 0.442 623 A N -0.876 122.005 122.820 0.102 0.000 1.908 623 A HA -0.123 4.202 4.320 0.008 0.000 0.218 623 A C 2.053 179.702 177.584 0.109 0.000 1.181 623 A CA 1.804 53.894 52.037 0.089 0.000 0.627 623 A CB -0.811 18.212 19.000 0.037 0.000 0.818 623 A HN 0.762 nan 8.150 nan 0.000 0.445 624 F N 0.792 120.756 119.950 0.023 0.000 2.069 624 F HA -0.195 4.337 4.527 0.008 0.000 0.298 624 F C 2.124 177.939 175.800 0.026 0.000 1.113 624 F CA 2.340 60.348 58.000 0.013 0.000 1.214 624 F CB -0.348 38.647 39.000 -0.008 0.000 0.978 624 F HN 0.144 nan 8.300 nan 0.000 0.474 625 K N -0.187 120.170 120.400 -0.071 0.000 2.152 625 K HA -0.189 4.136 4.320 0.008 0.000 0.206 625 K C 1.923 178.423 176.600 -0.166 0.000 1.048 625 K CA 1.487 57.678 56.287 -0.160 0.000 0.933 625 K CB -0.526 32.011 32.500 0.061 0.000 0.721 625 K HN 0.287 nan 8.250 nan 0.000 0.447 626 L N 0.521 121.709 121.223 -0.058 0.000 2.201 626 L HA -0.058 4.287 4.340 0.008 0.000 0.212 626 L C 1.743 178.553 176.870 -0.101 0.000 1.105 626 L CA 1.652 56.472 54.840 -0.033 0.000 0.775 626 L CB -0.026 42.094 42.059 0.102 0.000 0.913 626 L HN 0.176 nan 8.230 nan 0.000 0.440 627 M N -2.818 116.682 119.600 -0.168 0.000 2.567 627 M HA 0.024 4.509 4.480 0.008 0.000 0.261 627 M C 2.219 178.365 176.300 -0.258 0.000 1.180 627 M CA 0.640 55.834 55.300 -0.177 0.000 1.143 627 M CB 0.011 32.534 32.600 -0.128 0.000 1.319 627 M HN 0.193 nan 8.290 nan 0.000 0.490 628 S N 1.614 117.032 115.700 -0.472 0.000 2.414 628 S HA -0.159 4.316 4.470 0.008 0.000 0.241 628 S C -0.798 173.652 174.600 -0.249 0.000 1.079 628 S CA 1.939 59.815 58.200 -0.541 0.000 1.087 628 S CB -0.966 61.771 63.200 -0.771 0.000 0.927 628 S HN 0.232 nan 8.310 nan 0.000 0.456 629 P HA 0.015 nan 4.420 nan 0.000 0.219 629 P C 1.420 178.659 177.300 -0.101 0.000 1.150 629 P CA 1.801 64.830 63.100 -0.118 0.000 0.814 629 P CB -0.097 31.543 31.700 -0.100 0.000 0.787 630 T N -6.623 107.861 114.554 -0.117 0.000 2.964 630 T HA 0.497 4.852 4.350 0.008 0.000 0.250 630 T C 0.966 175.597 174.700 -0.115 0.000 0.982 630 T CA 0.387 62.418 62.100 -0.116 0.000 0.959 630 T CB -0.196 68.587 68.868 -0.142 0.000 1.141 630 T HN 0.260 nan 8.240 nan 0.000 0.494 631 G N -0.067 108.667 108.800 -0.110 0.000 2.728 631 G HA2 0.402 4.367 3.960 0.008 0.000 0.294 631 G HA3 0.402 4.367 3.960 0.008 0.000 0.294 631 G C 0.072 174.917 174.900 -0.092 0.000 1.342 631 G CA -0.407 44.655 45.100 -0.063 0.000 0.866 631 G HN 1.870 nan 8.290 nan 0.000 0.534 632 G N -1.186 107.613 108.800 -0.001 0.000 2.332 632 G HA2 0.567 4.532 3.960 0.008 0.000 0.265 632 G HA3 0.567 4.532 3.960 0.008 0.000 0.265 632 G C -0.689 174.309 174.900 0.164 0.000 1.329 632 G CA 0.417 45.519 45.100 0.004 0.000 0.949 632 G HN 1.341 nan 8.290 nan 0.000 0.476 633 R N 0.137 120.732 120.500 0.158 0.000 2.393 633 R HA 0.666 5.011 4.340 0.008 0.000 0.315 633 R C -0.413 175.929 176.300 0.069 0.000 0.952 633 R CA -0.730 55.482 56.100 0.186 0.000 0.842 633 R CB 1.135 31.623 30.300 0.313 0.000 1.163 633 R HN 0.691 nan 8.270 nan 0.000 0.450 634 M N 3.711 123.354 119.600 0.072 0.000 2.101 634 M HA 0.322 4.807 4.480 0.008 0.000 0.340 634 M C -1.284 175.069 176.300 0.088 0.000 1.057 634 M CA -0.170 55.141 55.300 0.018 0.000 0.984 634 M CB 1.583 34.211 32.600 0.046 0.000 1.560 634 M HN 0.460 nan 8.290 nan 0.000 0.435 635 S N 4.364 120.093 115.700 0.049 0.000 2.422 635 S HA 0.551 5.026 4.470 0.008 0.000 0.308 635 S C -0.635 174.178 174.600 0.356 0.000 1.097 635 S CA -0.767 57.612 58.200 0.300 0.000 1.099 635 S CB 1.116 64.599 63.200 0.472 0.000 0.976 635 S HN 0.593 nan 8.310 nan 0.000 0.471 636 V N 4.312 124.397 119.914 0.286 0.000 2.417 636 V HA 0.482 4.607 4.120 0.008 0.000 0.291 636 V C -0.935 175.307 176.094 0.247 0.000 1.024 636 V CA -0.639 61.852 62.300 0.317 0.000 0.861 636 V CB 0.767 32.704 31.823 0.190 0.000 0.985 636 V HN 0.825 nan 8.190 nan 0.000 0.436 637 F N 3.580 123.735 119.950 0.342 0.000 2.347 637 F HA 0.612 5.144 4.527 0.008 0.000 0.366 637 F C 0.200 176.058 175.800 0.095 0.000 1.107 637 F CA -0.467 57.644 58.000 0.185 0.000 1.058 637 F CB 1.634 40.717 39.000 0.138 0.000 1.236 637 F HN 0.402 nan 8.300 nan 0.000 0.456 638 Q N 1.282 121.165 119.800 0.137 0.000 2.345 638 Q HA 0.439 4.784 4.340 0.008 0.000 0.268 638 Q C 0.406 176.397 176.000 -0.015 0.000 1.054 638 Q CA -0.446 55.422 55.803 0.108 0.000 0.835 638 Q CB 2.006 30.824 28.738 0.134 0.000 1.339 638 Q HN 0.655 nan 8.270 nan 0.000 0.447 639 T N -0.468 114.081 114.554 -0.008 0.000 3.004 639 T HA 0.252 4.607 4.350 0.008 0.000 0.266 639 T C 0.109 174.826 174.700 0.029 0.000 0.986 639 T CA 0.235 62.326 62.100 -0.016 0.000 0.902 639 T CB 0.144 69.006 68.868 -0.010 0.000 1.118 639 T HN 0.633 nan 8.240 nan 0.000 0.522 640 Q N 0.058 119.878 119.800 0.034 0.000 2.685 640 Q HA 0.476 4.820 4.340 0.008 0.000 0.301 640 Q C -1.489 174.518 176.000 0.012 0.000 0.924 640 Q CA -1.121 54.702 55.803 0.033 0.000 0.755 640 Q CB 0.910 29.680 28.738 0.054 0.000 1.470 640 Q HN 0.205 nan 8.270 nan 0.000 0.434 641 L N 2.148 123.369 121.223 -0.003 0.000 2.540 641 L HA 0.217 4.562 4.340 0.008 0.000 0.276 641 L C -2.127 174.758 176.870 0.026 0.000 1.212 641 L CA -1.244 53.580 54.840 -0.027 0.000 0.893 641 L CB 0.648 42.706 42.059 -0.002 0.000 1.138 641 L HN 0.552 nan 8.230 nan 0.000 0.491 642 P HA 0.139 nan 4.420 nan 0.000 0.276 642 P C -0.170 177.165 177.300 0.057 0.000 1.230 642 P CA -0.123 63.021 63.100 0.073 0.000 0.776 642 P CB 0.935 32.700 31.700 0.108 0.000 0.888 643 T N -0.283 114.304 114.554 0.055 0.000 3.328 643 T HA 0.364 4.719 4.350 0.008 0.000 0.305 643 T C -0.304 174.413 174.700 0.027 0.000 0.939 643 T CA -0.142 61.983 62.100 0.041 0.000 0.950 643 T CB -0.378 68.519 68.868 0.049 0.000 1.182 643 T HN 0.148 nan 8.240 nan 0.000 0.545 644 L N 1.643 122.879 121.223 0.022 0.000 2.410 644 L HA 0.789 5.134 4.340 0.008 0.000 0.270 644 L C 0.353 177.207 176.870 -0.028 0.000 0.983 644 L CA 1.055 55.901 54.840 0.009 0.000 0.822 644 L CB 1.366 43.446 42.059 0.034 0.000 1.285 644 L HN 0.606 nan 8.230 nan 0.000 0.409 645 G N 2.274 111.048 108.800 -0.044 0.000 2.741 645 G HA2 -0.134 3.831 3.960 0.008 0.000 0.222 645 G HA3 -0.134 3.831 3.960 0.008 0.000 0.222 645 G C -0.640 174.159 174.900 -0.170 0.000 1.364 645 G CA -0.473 44.577 45.100 -0.083 0.000 0.866 645 G HN 1.090 nan 8.290 nan 0.000 0.555 646 V N 1.138 120.908 119.914 -0.241 0.000 2.673 646 V HA 0.466 4.591 4.120 0.008 0.000 0.303 646 V C 1.810 177.405 176.094 -0.833 0.000 1.046 646 V CA 2.640 64.678 62.300 -0.437 0.000 1.126 646 V CB 0.722 32.321 31.823 -0.372 0.000 0.934 646 V HN 2.967 nan 8.190 nan 0.000 0.487 647 G N 4.053 112.278 108.800 -0.958 0.000 2.179 647 G HA2 -0.070 3.895 3.960 0.008 0.000 0.220 647 G HA3 -0.070 3.895 3.960 0.008 0.000 0.220 647 G C 0.492 175.234 174.900 -0.263 0.000 0.990 647 G CA 0.062 44.535 45.100 -1.046 0.000 0.646 647 G HN 1.961 nan 8.290 nan 0.000 0.517 648 A N 0.127 122.830 122.820 -0.196 0.000 2.561 648 A HA 0.550 4.875 4.320 0.008 0.000 0.234 648 A C 0.412 178.007 177.584 0.018 0.000 1.055 648 A CA 0.788 52.795 52.037 -0.050 0.000 0.756 648 A CB 0.121 19.090 19.000 -0.051 0.000 0.986 648 A HN 1.130 nan 8.150 nan 0.000 0.505 649 L N 2.596 123.852 121.223 0.055 0.000 2.408 649 L HA 0.398 4.743 4.340 0.008 0.000 0.268 649 L C -0.170 176.750 176.870 0.085 0.000 0.986 649 L CA -1.138 53.751 54.840 0.081 0.000 0.820 649 L CB 1.908 44.017 42.059 0.083 0.000 1.303 649 L HN 0.581 nan 8.230 nan 0.000 0.411 650 K N 1.927 122.388 120.400 0.101 0.000 2.237 650 K HA 0.430 4.755 4.320 0.008 0.000 0.270 650 K C -2.380 174.324 176.600 0.173 0.000 1.015 650 K CA -1.755 54.595 56.287 0.106 0.000 0.949 650 K CB 0.593 33.142 32.500 0.082 0.000 0.976 650 K HN 0.208 nan 8.250 nan 0.000 0.472 651 P HA 0.289 nan 4.420 nan 0.000 0.274 651 P C -0.584 176.787 177.300 0.119 0.000 1.237 651 P CA -0.393 62.840 63.100 0.222 0.000 0.793 651 P CB 0.650 32.435 31.700 0.143 0.000 0.977 652 R N 0.500 120.970 120.500 -0.050 0.000 2.854 652 R HA 0.364 4.709 4.340 0.008 0.000 0.271 652 R C -0.706 175.377 176.300 -0.362 0.000 0.994 652 R CA -0.735 55.162 56.100 -0.338 0.000 0.945 652 R CB 1.468 31.326 30.300 -0.736 0.000 1.194 652 R HN 0.405 nan 8.270 nan 0.000 0.476 653 E N 1.876 121.932 120.200 -0.239 0.000 2.200 653 E HA 0.086 4.441 4.350 0.008 0.000 0.283 653 E C -0.703 175.790 176.600 -0.179 0.000 1.015 653 E CA -0.512 55.793 56.400 -0.157 0.000 0.819 653 E CB 0.856 30.506 29.700 -0.083 0.000 1.081 653 E HN 0.375 nan 8.360 nan 0.000 0.397 654 E N 4.444 124.567 120.200 -0.129 0.000 2.392 654 E HA 0.098 4.452 4.350 0.008 0.000 0.264 654 E C -1.911 174.663 176.600 -0.044 0.000 1.024 654 E CA -1.241 55.109 56.400 -0.083 0.000 0.903 654 E CB 0.395 30.087 29.700 -0.013 0.000 0.963 654 E HN 0.486 nan 8.360 nan 0.000 0.432 655 P HA 0.086 nan 4.420 nan 0.000 0.317 655 P C -0.636 176.675 177.300 0.017 0.000 1.316 655 P CA -0.132 62.960 63.100 -0.013 0.000 0.744 655 P CB 0.497 32.192 31.700 -0.008 0.000 1.521 656 N N -3.403 115.313 118.700 0.026 0.000 3.227 656 N HA 0.057 4.802 4.740 0.008 0.000 0.241 656 N C 0.493 176.049 175.510 0.077 0.000 1.480 656 N CA -0.687 52.415 53.050 0.086 0.000 0.886 656 N CB -0.340 38.197 38.487 0.085 0.000 1.406 656 N HN 0.439 nan 8.380 nan 0.000 0.514 657 H N -0.914 118.160 119.070 0.007 0.000 2.541 657 H HA 0.037 4.598 4.556 0.008 0.000 0.289 657 H C 1.155 176.487 175.328 0.006 0.000 1.054 657 H CA 1.323 57.375 56.048 0.008 0.000 1.250 657 H CB 0.112 29.880 29.762 0.009 0.000 1.369 657 H HN 0.695 nan 8.280 nan 0.000 0.578 658 R N 1.556 121.774 120.500 -0.470 0.000 2.112 658 R HA 0.015 4.360 4.340 0.008 0.000 0.216 658 R C 0.569 176.779 176.300 -0.150 0.000 1.080 658 R CA 0.635 56.521 56.100 -0.358 0.000 0.996 658 R CB 0.278 30.346 30.300 -0.386 0.000 0.902 658 R HN 0.337 nan 8.270 nan 0.000 0.449 659 S N 0.843 116.483 115.700 -0.100 0.000 2.549 659 S HA 0.082 4.557 4.470 0.008 0.000 0.286 659 S C 0.504 175.085 174.600 -0.032 0.000 1.314 659 S CA -0.389 57.780 58.200 -0.053 0.000 1.062 659 S CB 1.328 64.506 63.200 -0.036 0.000 0.865 659 S HN 0.377 nan 8.310 nan 0.000 0.498 660 S N 2.416 118.102 115.700 -0.023 0.000 2.502 660 S HA 0.461 4.936 4.470 0.008 0.000 0.251 660 S C 0.935 175.535 174.600 0.001 0.000 1.254 660 S CA -0.371 57.823 58.200 -0.010 0.000 0.989 660 S CB -0.364 62.831 63.200 -0.008 0.000 1.015 660 S HN 1.392 nan 8.310 nan 0.000 0.529 661 A N -0.207 122.619 122.820 0.008 0.000 2.532 661 A HA 0.335 4.660 4.320 0.008 0.000 0.273 661 A C 0.562 178.156 177.584 0.016 0.000 1.342 661 A CA -0.546 51.502 52.037 0.018 0.000 0.929 661 A CB -0.616 18.399 19.000 0.025 0.000 1.051 661 A HN 0.611 nan 8.150 nan 0.000 0.521 667 T N 1.354 115.934 114.554 0.043 0.000 2.849 667 T HA 0.609 4.964 4.350 0.008 0.000 0.284 667 T C -2.597 172.140 174.700 0.062 0.000 1.004 667 T CA -1.189 60.942 62.100 0.052 0.000 1.021 667 T CB 0.706 69.607 68.868 0.054 0.000 1.013 667 T HN -0.066 nan 8.240 nan 0.000 0.527 668 P HA 0.217 nan 4.420 nan 0.000 0.271 668 P C 0.677 178.032 177.300 0.092 0.000 1.216 668 P CA -0.517 62.635 63.100 0.087 0.000 0.776 668 P CB 0.719 32.483 31.700 0.105 0.000 0.881 669 S N 0.168 115.931 115.700 0.106 0.000 2.496 669 S HA 0.056 4.531 4.470 0.008 0.000 0.224 669 S C 0.818 175.478 174.600 0.100 0.000 0.996 669 S CA 0.568 58.828 58.200 0.099 0.000 0.927 669 S CB -0.328 62.938 63.200 0.110 0.000 0.774 669 S HN 0.582 nan 8.310 nan 0.000 0.524 670 T N 1.034 115.666 114.554 0.130 0.000 2.864 670 T HA 0.391 4.745 4.350 0.008 0.000 0.299 670 T C -1.101 173.684 174.700 0.141 0.000 1.166 670 T CA -0.307 61.870 62.100 0.129 0.000 1.007 670 T CB 1.813 70.769 68.868 0.147 0.000 1.219 670 T HN 0.177 nan 8.240 nan 0.000 0.506 671 D N 1.466 121.924 120.400 0.096 0.000 2.369 671 D HA 0.022 4.667 4.640 0.008 0.000 0.211 671 D C 1.528 177.832 176.300 0.006 0.000 1.077 671 D CA -0.141 53.888 54.000 0.048 0.000 0.842 671 D CB -0.228 40.569 40.800 -0.006 0.000 0.947 671 D HN 0.450 nan 8.370 nan 0.000 0.509 672 F N 1.853 121.729 119.950 -0.124 0.000 2.063 672 F HA -0.308 4.225 4.527 0.010 0.000 0.298 672 F C 1.608 177.215 175.800 -0.322 0.000 1.109 672 F CA 1.706 59.538 58.000 -0.279 0.000 1.212 672 F CB -0.425 38.301 39.000 -0.456 0.000 0.973 672 F HN -0.170 nan 8.300 nan 0.000 0.480 673 Y N 0.346 120.643 120.300 -0.005 0.000 2.352 673 Y HA -0.139 4.416 4.550 0.008 0.000 0.292 673 Y C 2.541 178.351 175.900 -0.149 0.000 1.136 673 Y CA 1.615 59.656 58.100 -0.098 0.000 1.227 673 Y CB -0.755 37.752 38.460 0.078 0.000 0.991 673 Y HN 0.119 nan 8.280 nan 0.000 0.545 674 K N 0.899 121.299 120.400 0.000 0.000 2.031 674 K HA -0.159 4.166 4.320 0.008 0.000 0.205 674 K C 1.864 178.313 176.600 -0.251 0.000 1.049 674 K CA 1.248 57.492 56.287 -0.073 0.000 0.939 674 K CB -0.053 32.374 32.500 -0.121 0.000 0.717 674 K HN 0.217 nan 8.250 nan 0.000 0.438 675 K N 0.707 120.925 120.400 -0.305 0.000 2.063 675 K HA -0.180 4.145 4.320 0.008 0.000 0.208 675 K C 2.146 178.483 176.600 -0.438 0.000 1.048 675 K CA 1.315 57.385 56.287 -0.362 0.000 0.928 675 K CB -0.245 32.048 32.500 -0.345 0.000 0.713 675 K HN 0.089 nan 8.250 nan 0.000 0.442 676 L N 1.098 121.986 121.223 -0.559 0.000 2.046 676 L HA -0.141 4.204 4.340 0.008 0.000 0.208 676 L C 2.190 178.840 176.870 -0.367 0.000 1.077 676 L CA 1.838 56.336 54.840 -0.571 0.000 0.747 676 L CB -0.700 40.946 42.059 -0.689 0.000 0.896 676 L HN 0.134 nan 8.230 nan 0.000 0.432 677 A N -0.437 122.246 122.820 -0.228 0.000 1.877 677 A HA -0.173 4.152 4.320 0.008 0.000 0.216 677 A C 2.248 179.727 177.584 -0.175 0.000 1.186 677 A CA 1.949 53.920 52.037 -0.109 0.000 0.620 677 A CB -0.942 18.071 19.000 0.021 0.000 0.822 677 A HN 0.505 nan 8.150 nan 0.000 0.443 678 L N -0.595 120.444 121.223 -0.307 0.000 2.127 678 L HA -0.237 4.108 4.340 0.008 0.000 0.211 678 L C 2.011 178.687 176.870 -0.324 0.000 1.089 678 L CA 1.719 56.281 54.840 -0.462 0.000 0.757 678 L CB -0.818 40.898 42.059 -0.572 0.000 0.899 678 L HN 0.343 nan 8.230 nan 0.000 0.434 679 D N -0.743 119.461 120.400 -0.327 0.000 2.123 679 D HA -0.124 4.521 4.640 0.008 0.000 0.200 679 D C 2.269 178.517 176.300 -0.087 0.000 0.976 679 D CA 1.055 54.858 54.000 -0.328 0.000 0.831 679 D CB -0.274 40.103 40.800 -0.704 0.000 0.974 679 D HN 0.268 nan 8.370 nan 0.000 0.469 680 C N -0.037 119.225 119.300 -0.062 0.000 2.413 680 C HA -0.138 4.327 4.460 0.008 0.000 0.276 680 C C 2.942 178.030 174.990 0.163 0.000 1.236 680 C CA 1.137 60.290 59.018 0.225 0.000 1.735 680 C CB -0.976 26.854 27.740 0.150 0.000 2.031 680 C HN 0.357 nan 8.230 nan 0.000 0.474 681 S N 0.661 116.399 115.700 0.063 0.000 2.365 681 S HA -0.144 4.331 4.470 0.008 0.000 0.225 681 S C 1.954 176.619 174.600 0.109 0.000 1.039 681 S CA 2.100 60.352 58.200 0.086 0.000 1.033 681 S CB -0.663 62.560 63.200 0.039 0.000 0.887 681 S HN 0.683 nan 8.310 nan 0.000 0.447 682 G N -0.089 108.758 108.800 0.078 0.000 2.498 682 G HA2 -0.093 3.872 3.960 0.008 0.000 0.219 682 G HA3 -0.093 3.872 3.960 0.008 0.000 0.219 682 G C 1.218 176.187 174.900 0.115 0.000 1.119 682 G CA 0.436 45.595 45.100 0.098 0.000 0.766 682 G HN 0.516 nan 8.290 nan 0.000 0.552 683 Q N -0.241 119.648 119.800 0.150 0.000 2.188 683 Q HA 0.132 4.477 4.340 0.008 0.000 0.212 683 Q C 0.369 176.414 176.000 0.075 0.000 0.846 683 Q CA -0.108 55.758 55.803 0.105 0.000 0.989 683 Q CB 0.685 29.481 28.738 0.096 0.000 1.114 683 Q HN 0.362 nan 8.270 nan 0.000 0.488 684 Q N -1.022 118.838 119.800 0.100 0.000 2.487 684 Q HA -0.132 4.213 4.340 0.008 0.000 0.279 684 Q C -0.727 175.341 176.000 0.114 0.000 1.228 684 Q CA 0.404 56.270 55.803 0.106 0.000 0.873 684 Q CB -2.533 26.256 28.738 0.085 0.000 1.260 684 Q HN 0.139 nan 8.270 nan 0.000 0.471 685 V N 0.077 120.065 119.914 0.123 0.000 2.417 685 V HA 0.825 4.950 4.120 0.008 0.000 0.291 685 V C 0.328 176.504 176.094 0.135 0.000 1.024 685 V CA -0.136 62.240 62.300 0.125 0.000 0.861 685 V CB 1.851 33.758 31.823 0.140 0.000 0.985 685 V HN 0.372 nan 8.190 nan 0.000 0.436 686 A N 4.810 127.712 122.820 0.136 0.000 2.340 686 A HA 0.910 5.235 4.320 0.008 0.000 0.331 686 A C -0.922 176.736 177.584 0.124 0.000 1.140 686 A CA -0.582 51.532 52.037 0.128 0.000 0.801 686 A CB 1.783 20.862 19.000 0.131 0.000 1.234 686 A HN 0.673 nan 8.150 nan 0.000 0.469 687 V N 2.809 122.787 119.914 0.106 0.000 2.443 687 V HA 0.302 4.427 4.120 0.008 0.000 0.293 687 V C -1.097 175.045 176.094 0.080 0.000 1.021 687 V CA -0.817 61.542 62.300 0.098 0.000 0.848 687 V CB 1.545 33.416 31.823 0.080 0.000 0.998 687 V HN 0.884 nan 8.190 nan 0.000 0.424 688 D N 4.211 124.679 120.400 0.114 0.000 2.198 688 D HA 0.422 5.067 4.640 0.008 0.000 0.245 688 D C -0.563 175.673 176.300 -0.107 0.000 1.079 688 D CA -0.346 53.678 54.000 0.040 0.000 0.854 688 D CB 2.893 43.807 40.800 0.190 0.000 1.148 688 D HN 0.308 nan 8.370 nan 0.000 0.456 689 L N 2.953 124.038 121.223 -0.230 0.000 2.296 689 L HA 0.434 4.779 4.340 0.008 0.000 0.286 689 L C -1.488 175.111 176.870 -0.452 0.000 1.023 689 L CA -0.475 54.225 54.840 -0.235 0.000 0.812 689 L CB 0.628 42.599 42.059 -0.146 0.000 1.223 689 L HN 0.158 nan 8.230 nan 0.000 0.421 690 F N 6.310 126.114 119.950 -0.242 0.000 2.366 690 F HA 0.443 4.975 4.527 0.008 0.000 0.366 690 F C -0.410 175.317 175.800 -0.122 0.000 1.096 690 F CA -0.553 57.301 58.000 -0.244 0.000 1.060 690 F CB 1.422 39.941 39.000 -0.802 0.000 1.282 690 F HN 0.284 nan 8.300 nan 0.000 0.450 691 L N 5.503 126.799 121.223 0.121 0.000 2.262 691 L HA 0.535 4.880 4.340 0.008 0.000 0.288 691 L C -0.960 176.025 176.870 0.192 0.000 1.035 691 L CA -0.410 54.504 54.840 0.124 0.000 0.820 691 L CB 0.720 42.846 42.059 0.112 0.000 1.204 691 L HN 0.470 nan 8.230 nan 0.000 0.424 692 L N 4.903 126.158 121.223 0.053 0.000 2.784 692 L HA 0.425 4.770 4.340 0.008 0.000 0.241 692 L C 0.125 177.022 176.870 0.045 0.000 1.352 692 L CA -0.082 54.773 54.840 0.024 0.000 0.911 692 L CB 0.347 42.250 42.059 -0.260 0.000 1.227 692 L HN 0.591 nan 8.230 nan 0.000 0.501 693 S N -1.772 113.982 115.700 0.091 0.000 2.489 693 S HA 0.682 5.157 4.470 0.008 0.000 0.291 693 S C 0.980 175.641 174.600 0.102 0.000 1.151 693 S CA -0.182 58.080 58.200 0.103 0.000 1.082 693 S CB 1.867 65.137 63.200 0.116 0.000 1.019 693 S HN 0.379 nan 8.310 nan 0.000 0.492 694 G N 0.643 109.507 108.800 0.107 0.000 3.189 694 G HA2 0.319 4.284 3.960 0.008 0.000 0.225 694 G HA3 0.319 4.284 3.960 0.008 0.000 0.225 694 G C 0.116 175.081 174.900 0.107 0.000 1.159 694 G CA -0.216 44.945 45.100 0.102 0.000 0.763 694 G HN 0.660 nan 8.290 nan 0.000 0.549 695 Q N -1.180 118.693 119.800 0.121 0.000 2.462 695 Q HA 0.239 4.584 4.340 0.008 0.000 0.285 695 Q C -1.499 174.599 176.000 0.163 0.000 1.035 695 Q CA -1.148 54.740 55.803 0.142 0.000 0.799 695 Q CB 2.184 31.000 28.738 0.129 0.000 1.452 695 Q HN 0.174 nan 8.270 nan 0.000 0.404 696 Y N 0.701 121.043 120.300 0.069 0.000 2.987 696 Y HA -0.162 4.393 4.550 0.008 0.000 0.339 696 Y C 0.035 175.964 175.900 0.048 0.000 1.272 696 Y CA 1.565 59.698 58.100 0.055 0.000 1.562 696 Y CB 0.452 38.936 38.460 0.040 0.000 1.253 696 Y HN 0.565 nan 8.280 nan 0.000 0.604 697 S N 3.357 118.650 115.700 -0.679 0.000 2.893 697 S HA 0.054 4.529 4.470 0.008 0.000 0.258 697 S C -0.509 173.660 174.600 -0.719 0.000 1.034 697 S CA 0.229 58.114 58.200 -0.526 0.000 1.167 697 S CB -0.025 63.045 63.200 -0.217 0.000 1.137 697 S HN 0.861 nan 8.310 nan 0.000 0.650 698 D N 1.317 120.909 120.400 -1.347 0.000 2.716 698 D HA -0.148 4.497 4.640 0.008 0.000 0.239 698 D C 0.537 176.640 176.300 -0.329 0.000 1.125 698 D CA 0.183 53.757 54.000 -0.709 0.000 0.681 698 D CB -1.568 39.016 40.800 -0.361 0.000 1.070 698 D HN 0.365 nan 8.370 nan 0.000 0.432 699 L N 0.424 121.460 121.223 -0.311 0.000 2.261 699 L HA -0.010 4.335 4.340 0.008 0.000 0.216 699 L C 2.405 179.171 176.870 -0.173 0.000 1.114 699 L CA 2.629 57.316 54.840 -0.255 0.000 0.777 699 L CB -0.699 41.173 42.059 -0.311 0.000 0.910 699 L HN 0.338 nan 8.230 nan 0.000 0.440 700 A N -1.940 120.818 122.820 -0.103 0.000 2.076 700 A HA -0.153 4.172 4.320 0.008 0.000 0.220 700 A C 2.343 179.912 177.584 -0.025 0.000 1.160 700 A CA 1.969 53.980 52.037 -0.042 0.000 0.653 700 A CB -0.495 18.520 19.000 0.024 0.000 0.801 700 A HN 0.556 nan 8.150 nan 0.000 0.455 701 S N -1.089 114.582 115.700 -0.049 0.000 2.502 701 S HA 0.209 4.684 4.470 0.008 0.000 0.228 701 S C 1.675 176.202 174.600 -0.122 0.000 1.061 701 S CA 0.256 58.457 58.200 0.003 0.000 0.935 701 S CB -0.169 63.076 63.200 0.074 0.000 0.809 701 S HN 0.484 nan 8.310 nan 0.000 0.510 702 L N 1.515 122.550 121.223 -0.315 0.000 2.027 702 L HA -0.015 4.330 4.340 0.008 0.000 0.206 702 L C 2.783 179.500 176.870 -0.256 0.000 1.074 702 L CA 1.344 55.886 54.840 -0.497 0.000 0.745 702 L CB -1.380 40.425 42.059 -0.424 0.000 0.898 702 L HN 0.427 nan 8.230 nan 0.000 0.433 703 G N -0.162 108.529 108.800 -0.181 0.000 2.545 703 G HA2 -0.323 3.642 3.960 0.008 0.000 0.222 703 G HA3 -0.323 3.642 3.960 0.008 0.000 0.222 703 G C 1.614 176.455 174.900 -0.098 0.000 1.126 703 G CA 1.184 46.198 45.100 -0.142 0.000 0.754 703 G HN 0.439 nan 8.290 nan 0.000 0.583 704 C N -0.137 119.147 119.300 -0.028 0.000 2.398 704 C HA -0.127 4.338 4.460 0.008 0.000 0.279 704 C C 2.611 177.661 174.990 0.100 0.000 1.250 704 C CA 0.690 59.760 59.018 0.085 0.000 1.786 704 C CB -1.019 26.851 27.740 0.217 0.000 2.018 704 C HN 0.501 nan 8.230 nan 0.000 0.494 705 I N 0.623 121.234 120.570 0.067 0.000 2.567 705 I HA -0.131 4.044 4.170 0.008 0.000 0.257 705 I C 2.210 178.342 176.117 0.025 0.000 1.184 705 I CA 1.534 62.878 61.300 0.074 0.000 1.451 705 I CB -0.088 37.965 38.000 0.088 0.000 1.089 705 I HN 0.209 nan 8.210 nan 0.000 0.441 706 S N -0.520 115.161 115.700 -0.032 0.000 2.506 706 S HA 0.120 4.595 4.470 0.008 0.000 0.230 706 S C 1.933 176.469 174.600 -0.107 0.000 1.066 706 S CA -0.076 58.091 58.200 -0.056 0.000 0.940 706 S CB 0.020 63.165 63.200 -0.093 0.000 0.818 706 S HN 0.354 nan 8.310 nan 0.000 0.518 707 R N 0.565 120.940 120.500 -0.210 0.000 2.094 707 R HA -0.108 4.237 4.340 0.008 0.000 0.239 707 R C 1.503 177.547 176.300 -0.427 0.000 1.137 707 R CA 1.654 57.511 56.100 -0.405 0.000 0.943 707 R CB -0.534 29.388 30.300 -0.630 0.000 0.850 707 R HN 0.423 nan 8.270 nan 0.000 0.433 708 Y N 0.259 120.528 120.300 -0.053 0.000 2.529 708 Y HA -0.004 4.551 4.550 0.008 0.000 0.290 708 Y C 1.860 177.772 175.900 0.020 0.000 1.177 708 Y CA 0.647 58.739 58.100 -0.013 0.000 1.305 708 Y CB 0.195 38.618 38.460 -0.062 0.000 1.047 708 Y HN 0.102 nan 8.280 nan 0.000 0.522 709 S N -1.473 114.291 115.700 0.107 0.000 2.593 709 S HA 0.562 5.037 4.470 0.008 0.000 0.236 709 S C 1.267 175.939 174.600 0.120 0.000 0.991 709 S CA -0.037 58.231 58.200 0.113 0.000 0.963 709 S CB 0.071 63.322 63.200 0.085 0.000 0.865 709 S HN 0.345 nan 8.310 nan 0.000 0.488 710 A N -0.145 122.740 122.820 0.108 0.000 2.887 710 A HA -0.045 4.280 4.320 0.008 0.000 0.257 710 A C 1.107 178.745 177.584 0.090 0.000 1.372 710 A CA 0.914 53.028 52.037 0.129 0.000 0.879 710 A CB -2.291 16.823 19.000 0.189 0.000 1.082 710 A HN 1.256 nan 8.150 nan 0.000 0.703 711 G N -1.141 107.691 108.800 0.052 0.000 2.546 711 G HA2 0.750 4.715 3.960 0.008 0.000 0.239 711 G HA3 0.750 4.715 3.960 0.008 0.000 0.239 711 G C 0.176 175.081 174.900 0.008 0.000 1.476 711 G CA 0.577 45.714 45.100 0.062 0.000 1.064 711 G HN 2.021 nan 8.290 nan 0.000 0.561 712 S N -2.243 113.450 115.700 -0.012 0.000 2.542 712 S HA 0.467 4.941 4.470 0.008 0.000 0.276 712 S C -0.960 173.520 174.600 -0.199 0.000 1.148 712 S CA -0.434 57.691 58.200 -0.126 0.000 0.886 712 S CB 1.178 64.305 63.200 -0.122 0.000 1.109 712 S HN 1.597 nan 8.310 nan 0.000 0.458 713 V N 1.445 121.191 119.914 -0.281 0.000 2.532 713 V HA 0.795 4.920 4.120 0.008 0.000 0.295 713 V C -1.841 174.048 176.094 -0.342 0.000 1.041 713 V CA -0.518 61.632 62.300 -0.250 0.000 0.926 713 V CB 0.887 32.622 31.823 -0.145 0.000 0.992 713 V HN 0.891 nan 8.190 nan 0.000 0.457 714 Y N 5.144 125.223 120.300 -0.369 0.000 2.376 714 Y HA 0.611 5.165 4.550 0.008 0.000 0.340 714 Y C -0.799 174.812 175.900 -0.482 0.000 0.965 714 Y CA -0.546 57.334 58.100 -0.367 0.000 1.078 714 Y CB 2.026 40.269 38.460 -0.361 0.000 1.193 714 Y HN 0.787 nan 8.280 nan 0.000 0.452 715 Y N 3.738 123.392 120.300 -1.076 0.000 2.341 715 Y HA 0.468 5.023 4.550 0.008 0.000 0.338 715 Y C -1.812 173.441 175.900 -1.078 0.000 0.965 715 Y CA -2.180 55.253 58.100 -1.112 0.000 1.108 715 Y CB 0.676 38.121 38.460 -1.692 0.000 1.180 715 Y HN 0.544 nan 8.280 nan 0.000 0.458 716 Y N 7.460 127.486 120.300 -0.457 0.000 2.787 716 Y HA 0.348 4.903 4.550 0.008 0.000 0.352 716 Y C -2.379 173.228 175.900 -0.488 0.000 1.027 716 Y CA -2.844 55.052 58.100 -0.339 0.000 1.219 716 Y CB 0.609 39.093 38.460 0.039 0.000 1.110 716 Y HN 0.458 nan 8.280 nan 0.000 0.614 717 P HA -0.068 nan 4.420 nan 0.000 0.264 717 P C 0.157 177.361 177.300 -0.159 0.000 1.193 717 P CA 0.730 63.481 63.100 -0.581 0.000 0.763 717 P CB 1.181 32.541 31.700 -0.567 0.000 0.810 718 S N 0.372 116.048 115.700 -0.039 0.000 3.631 718 S HA -0.247 4.228 4.470 0.008 0.000 0.366 718 S C 0.137 174.800 174.600 0.106 0.000 0.993 718 S CA 0.396 58.627 58.200 0.051 0.000 1.167 718 S CB -2.470 60.740 63.200 0.018 0.000 0.909 718 S HN 0.625 nan 8.310 nan 0.000 0.478 719 Y N 2.266 122.582 120.300 0.028 0.000 2.526 719 Y HA 0.360 4.915 4.550 0.008 0.000 0.330 719 Y C 0.569 176.551 175.900 0.137 0.000 1.156 719 Y CA 0.413 58.547 58.100 0.057 0.000 1.419 719 Y CB 0.489 38.961 38.460 0.019 0.000 1.250 719 Y HN 0.491 nan 8.280 nan 0.000 0.540 720 H N 6.320 125.275 119.070 -0.193 0.000 3.087 720 H HA 0.081 4.642 4.556 0.008 0.000 0.348 720 H C 0.357 175.581 175.328 -0.173 0.000 1.092 720 H CA -0.523 55.525 56.048 -0.000 0.000 1.285 720 H CB 0.896 30.675 29.762 0.029 0.000 1.875 720 H HN 1.000 nan 8.280 nan 0.000 0.512 721 H N 2.706 121.549 119.070 -0.379 0.000 2.422 721 H HA -0.079 4.482 4.556 0.008 0.000 0.298 721 H C 0.455 175.696 175.328 -0.145 0.000 1.098 721 H CA 1.439 57.346 56.048 -0.234 0.000 1.315 721 H CB 0.345 29.985 29.762 -0.203 0.000 1.382 721 H HN 0.571 nan 8.280 nan 0.000 0.523 722 Q N -0.515 118.937 119.800 -0.581 0.000 2.388 722 Q HA 0.019 4.364 4.340 0.008 0.000 0.204 722 Q C 2.287 178.197 176.000 -0.150 0.000 0.946 722 Q CA 0.111 55.658 55.803 -0.427 0.000 0.880 722 Q CB 0.362 28.722 28.738 -0.631 0.000 0.997 722 Q HN 0.549 nan 8.270 nan 0.000 0.552 723 H N 0.176 119.252 119.070 0.010 0.000 2.423 723 H HA 0.025 4.585 4.556 0.008 0.000 0.297 723 H C 0.790 176.047 175.328 -0.117 0.000 1.075 723 H CA 0.839 56.804 56.048 -0.139 0.000 1.342 723 H CB 0.076 29.633 29.762 -0.343 0.000 1.395 723 H HN 0.071 nan 8.280 nan 0.000 0.530 724 N N 1.356 120.057 118.700 0.002 0.000 2.990 724 N HA 0.058 4.803 4.740 0.008 0.000 0.288 724 N C -1.838 173.560 175.510 -0.187 0.000 1.624 724 N CA -1.740 51.245 53.050 -0.108 0.000 0.961 724 N CB 0.804 39.212 38.487 -0.132 0.000 1.259 724 N HN 0.072 nan 8.380 nan 0.000 0.489 725 P HA -0.167 nan 4.420 nan 0.000 0.217 725 P C 1.395 178.613 177.300 -0.137 0.000 1.148 725 P CA 0.929 63.948 63.100 -0.135 0.000 0.834 725 P CB 0.600 32.242 31.700 -0.098 0.000 0.783 726 V N 0.656 120.474 119.914 -0.160 0.000 2.270 726 V HA -0.206 3.919 4.120 0.008 0.000 0.245 726 V C 2.838 178.881 176.094 -0.085 0.000 1.043 726 V CA 1.756 63.965 62.300 -0.151 0.000 1.014 726 V CB -1.311 30.345 31.823 -0.279 0.000 0.645 726 V HN 0.084 nan 8.190 nan 0.000 0.447 727 Q N -0.258 119.468 119.800 -0.123 0.000 2.226 727 Q HA -0.095 4.250 4.340 0.008 0.000 0.204 727 Q C 2.341 178.291 176.000 -0.084 0.000 0.975 727 Q CA 1.212 56.993 55.803 -0.036 0.000 0.866 727 Q CB -0.580 28.104 28.738 -0.090 0.000 0.915 727 Q HN 0.574 nan 8.270 nan 0.000 0.440 728 V N 0.815 120.563 119.914 -0.276 0.000 2.270 728 V HA -0.272 3.853 4.120 0.008 0.000 0.245 728 V C 2.452 178.544 176.094 -0.003 0.000 1.043 728 V CA 2.111 64.305 62.300 -0.176 0.000 1.014 728 V CB -0.544 31.155 31.823 -0.206 0.000 0.645 728 V HN 0.371 nan 8.190 nan 0.000 0.447 729 Q N 0.043 119.839 119.800 -0.007 0.000 2.119 729 Q HA -0.236 4.109 4.340 0.008 0.000 0.201 729 Q C 2.312 178.369 176.000 0.095 0.000 0.972 729 Q CA 1.862 57.686 55.803 0.035 0.000 0.847 729 Q CB -0.134 28.628 28.738 0.041 0.000 0.903 729 Q HN 0.601 nan 8.270 nan 0.000 0.433 730 K N -0.133 120.347 120.400 0.134 0.000 2.057 730 K HA -0.183 4.142 4.320 0.008 0.000 0.207 730 K C 2.021 178.790 176.600 0.281 0.000 1.049 730 K CA 1.205 57.623 56.287 0.219 0.000 0.931 730 K CB -0.162 32.488 32.500 0.250 0.000 0.714 730 K HN 0.256 nan 8.250 nan 0.000 0.440 731 L N 1.553 122.892 121.223 0.192 0.000 2.046 731 L HA -0.175 4.170 4.340 0.008 0.000 0.208 731 L C 2.360 179.263 176.870 0.055 0.000 1.077 731 L CA 1.778 56.598 54.840 -0.034 0.000 0.747 731 L CB -0.766 41.077 42.059 -0.360 0.000 0.896 731 L HN 0.236 nan 8.230 nan 0.000 0.432 732 Q N -0.091 119.744 119.800 0.058 0.000 2.014 732 Q HA -0.228 4.117 4.340 0.008 0.000 0.207 732 Q C 2.107 178.157 176.000 0.083 0.000 0.993 732 Q CA 2.045 57.871 55.803 0.039 0.000 0.850 732 Q CB -0.161 28.582 28.738 0.009 0.000 0.916 732 Q HN 0.340 nan 8.270 nan 0.000 0.417 733 K N 0.315 120.787 120.400 0.120 0.000 2.211 733 K HA -0.098 4.227 4.320 0.008 0.000 0.203 733 K C 1.905 178.709 176.600 0.340 0.000 1.050 733 K CA 1.245 57.641 56.287 0.181 0.000 0.945 733 K CB -0.044 32.589 32.500 0.222 0.000 0.732 733 K HN 0.474 nan 8.250 nan 0.000 0.451 734 E N 0.490 120.908 120.200 0.364 0.000 2.285 734 E HA 0.007 4.362 4.350 0.008 0.000 0.194 734 E C 1.961 178.852 176.600 0.484 0.000 0.997 734 E CA 0.173 56.922 56.400 0.582 0.000 0.845 734 E CB 0.098 30.108 29.700 0.515 0.000 0.782 734 E HN 0.154 nan 8.360 nan 0.000 0.491 735 L N 0.531 121.923 121.223 0.281 0.000 2.162 735 L HA -0.146 4.199 4.340 0.008 0.000 0.205 735 L C 2.568 179.581 176.870 0.239 0.000 1.086 735 L CA 0.678 55.650 54.840 0.221 0.000 0.778 735 L CB 0.026 42.133 42.059 0.081 0.000 0.928 735 L HN 0.115 nan 8.230 nan 0.000 0.446 736 Q N 0.541 120.453 119.800 0.186 0.000 2.014 736 Q HA -0.294 4.051 4.340 0.008 0.000 0.207 736 Q C 2.176 178.262 176.000 0.144 0.000 0.993 736 Q CA 2.182 58.062 55.803 0.130 0.000 0.850 736 Q CB -0.158 28.639 28.738 0.098 0.000 0.916 736 Q HN 0.166 nan 8.270 nan 0.000 0.417 737 R N -0.916 119.704 120.500 0.201 0.000 2.073 737 R HA -0.172 4.173 4.340 0.008 0.000 0.234 737 R C 2.165 178.500 176.300 0.059 0.000 1.134 737 R CA 1.862 57.999 56.100 0.062 0.000 0.952 737 R CB -1.319 28.902 30.300 -0.131 0.000 0.850 737 R HN 0.494 nan 8.270 nan 0.000 0.433 738 Y N 0.763 121.100 120.300 0.062 0.000 2.053 738 Y HA -0.200 4.355 4.550 0.008 0.000 0.277 738 Y C 1.769 177.714 175.900 0.075 0.000 1.159 738 Y CA 2.298 60.453 58.100 0.091 0.000 1.125 738 Y CB -0.387 38.164 38.460 0.151 0.000 0.969 738 Y HN 0.101 nan 8.280 nan 0.000 0.492 739 L N -0.544 120.753 121.223 0.123 0.000 2.275 739 L HA -0.124 4.221 4.340 0.008 0.000 0.215 739 L C 2.012 178.844 176.870 -0.063 0.000 1.119 739 L CA 1.679 56.508 54.840 -0.018 0.000 0.790 739 L CB -0.639 41.462 42.059 0.069 0.000 0.919 739 L HN 0.438 nan 8.230 nan 0.000 0.443 740 T N -3.599 110.939 114.554 -0.026 0.000 3.010 740 T HA 0.103 4.458 4.350 0.008 0.000 0.257 740 T C 0.948 175.626 174.700 -0.037 0.000 1.020 740 T CA -0.652 61.435 62.100 -0.023 0.000 0.938 740 T CB 0.034 68.902 68.868 -0.000 0.000 1.049 740 T HN 0.262 nan 8.240 nan 0.000 0.522 741 R N 2.307 122.768 120.500 -0.065 0.000 2.707 741 R HA 0.347 4.691 4.340 0.008 0.000 0.270 741 R C 0.132 176.392 176.300 -0.066 0.000 1.083 741 R CA -0.783 55.268 56.100 -0.082 0.000 1.182 741 R CB 0.405 30.639 30.300 -0.111 0.000 1.084 741 R HN 0.395 nan 8.270 nan 0.000 0.528 742 K N 0.532 120.878 120.400 -0.090 0.000 2.149 742 K HA 0.334 4.659 4.320 0.008 0.000 0.245 742 K C -0.523 176.080 176.600 0.004 0.000 1.024 742 K CA -0.571 55.681 56.287 -0.059 0.000 0.899 742 K CB 0.523 32.926 32.500 -0.161 0.000 1.038 742 K HN 0.534 nan 8.250 nan 0.000 0.496 743 I N -0.742 119.871 120.570 0.072 0.000 2.827 743 I HA 0.462 4.637 4.170 0.008 0.000 0.298 743 I C -1.267 174.813 176.117 -0.060 0.000 1.235 743 I CA -0.241 61.056 61.300 -0.005 0.000 1.021 743 I CB 2.363 40.251 38.000 -0.188 0.000 1.259 743 I HN 0.860 nan 8.210 nan 0.000 0.427 744 G N 4.969 113.616 108.800 -0.255 0.000 2.495 744 G HA2 0.688 4.653 3.960 0.008 0.000 0.318 744 G HA3 0.688 4.653 3.960 0.008 0.000 0.318 744 G C -1.690 172.973 174.900 -0.395 0.000 1.257 744 G CA -0.353 44.619 45.100 -0.214 0.000 0.962 744 G HN 0.319 nan 8.290 nan 0.000 0.483 745 F N 0.050 120.092 119.950 0.152 0.000 2.556 745 F HA 0.382 4.914 4.527 0.008 0.000 0.327 745 F C 0.891 176.739 175.800 0.079 0.000 1.059 745 F CA -0.594 57.454 58.000 0.080 0.000 0.953 745 F CB 1.678 40.704 39.000 0.044 0.000 1.227 745 F HN 0.797 nan 8.300 nan 0.000 0.478 746 E N -0.722 119.640 120.200 0.271 0.000 2.149 746 E HA -0.142 4.213 4.350 0.008 0.000 0.191 746 E C -0.943 175.735 176.600 0.131 0.000 1.384 746 E CA 0.251 56.750 56.400 0.165 0.000 0.698 746 E CB -1.715 28.065 29.700 0.134 0.000 1.086 746 E HN 0.643 nan 8.360 nan 0.000 0.338 747 A N 0.789 123.671 122.820 0.103 0.000 2.299 747 A HA 0.844 5.169 4.320 0.008 0.000 0.332 747 A C 0.228 177.832 177.584 0.033 0.000 1.131 747 A CA -0.138 51.944 52.037 0.076 0.000 0.844 747 A CB 1.850 20.871 19.000 0.034 0.000 1.251 747 A HN 0.934 nan 8.150 nan 0.000 0.486 748 V N -1.238 118.686 119.914 0.017 0.000 3.049 748 V HA 0.873 4.998 4.120 0.008 0.000 0.309 748 V C -0.653 175.411 176.094 -0.051 0.000 1.148 748 V CA -0.729 61.555 62.300 -0.027 0.000 0.990 748 V CB 1.599 33.415 31.823 -0.012 0.000 1.039 748 V HN 1.206 nan 8.190 nan 0.000 0.430 749 M N 3.006 122.536 119.600 -0.118 0.000 2.550 749 M HA 0.842 5.327 4.480 0.008 0.000 0.292 749 M C -1.124 175.110 176.300 -0.111 0.000 1.221 749 M CA -0.710 54.518 55.300 -0.119 0.000 0.873 749 M CB 2.549 35.016 32.600 -0.221 0.000 1.727 749 M HN 1.017 nan 8.290 nan 0.000 0.459 750 R N 3.208 123.693 120.500 -0.025 0.000 2.673 750 R HA 0.754 5.099 4.340 0.008 0.000 0.281 750 R C -2.166 174.185 176.300 0.085 0.000 0.991 750 R CA -0.425 55.686 56.100 0.019 0.000 0.896 750 R CB 1.739 32.071 30.300 0.052 0.000 1.201 750 R HN 0.785 nan 8.270 nan 0.000 0.457 751 I N 3.538 124.180 120.570 0.121 0.000 2.389 751 I HA 0.514 4.689 4.170 0.008 0.000 0.288 751 I C -0.031 176.201 176.117 0.192 0.000 0.999 751 I CA -0.778 60.631 61.300 0.181 0.000 1.129 751 I CB 1.882 39.983 38.000 0.168 0.000 1.288 751 I HN 0.408 nan 8.210 nan 0.000 0.444 752 R N 4.667 125.299 120.500 0.219 0.000 2.664 752 R HA 0.799 5.144 4.340 0.008 0.000 0.286 752 R C -0.982 175.439 176.300 0.202 0.000 0.967 752 R CA -0.595 55.604 56.100 0.166 0.000 0.933 752 R CB 2.233 32.607 30.300 0.124 0.000 1.146 752 R HN 0.885 nan 8.270 nan 0.000 0.468 753 C N -0.917 118.465 119.300 0.136 0.000 2.898 753 C HA 0.535 5.000 4.460 0.008 0.000 0.304 753 C C 0.384 175.332 174.990 -0.069 0.000 1.237 753 C CA -0.984 58.090 59.018 0.093 0.000 1.529 753 C CB 1.347 29.290 27.740 0.339 0.000 2.021 753 C HN 0.754 nan 8.230 nan 0.000 0.474 754 T N 2.323 116.739 114.554 -0.229 0.000 2.946 754 T HA 0.066 4.420 4.350 0.008 0.000 0.312 754 T C 0.349 174.961 174.700 -0.148 0.000 1.066 754 T CA 0.476 62.433 62.100 -0.237 0.000 1.138 754 T CB 0.202 68.897 68.868 -0.287 0.000 1.014 754 T HN 0.901 nan 8.240 nan 0.000 0.544 755 K N 1.194 121.481 120.400 -0.188 0.000 2.569 755 K HA 0.082 4.406 4.320 0.008 0.000 0.280 755 K C 1.405 178.005 176.600 -0.000 0.000 0.984 755 K CA 1.123 57.361 56.287 -0.081 0.000 1.064 755 K CB -0.400 32.054 32.500 -0.076 0.000 0.866 755 K HN 0.889 nan 8.250 nan 0.000 0.492 756 G N 3.078 111.893 108.800 0.025 0.000 2.349 756 G HA2 -0.229 3.736 3.960 0.008 0.000 0.213 756 G HA3 -0.229 3.736 3.960 0.008 0.000 0.213 756 G C -0.121 174.806 174.900 0.045 0.000 1.044 756 G CA -0.096 45.030 45.100 0.043 0.000 0.633 756 G HN 0.507 nan 8.290 nan 0.000 0.506 757 L N 1.522 122.772 121.223 0.046 0.000 2.334 757 L HA 0.723 5.068 4.340 0.008 0.000 0.277 757 L C 0.299 177.213 176.870 0.073 0.000 1.075 757 L CA -0.360 54.528 54.840 0.080 0.000 0.804 757 L CB 1.836 43.980 42.059 0.142 0.000 1.174 757 L HN 0.262 nan 8.230 nan 0.000 0.438 758 S N 2.684 118.425 115.700 0.068 0.000 2.571 758 S HA 0.615 5.090 4.470 0.008 0.000 0.284 758 S C -0.796 173.806 174.600 0.004 0.000 1.128 758 S CA -0.591 57.640 58.200 0.052 0.000 0.970 758 S CB 1.122 64.362 63.200 0.066 0.000 1.039 758 S HN 0.325 nan 8.310 nan 0.000 0.485 759 I N 5.611 126.150 120.570 -0.051 0.000 2.395 759 I HA 0.338 4.513 4.170 0.008 0.000 0.289 759 I C 1.416 177.426 176.117 -0.179 0.000 1.023 759 I CA 0.077 61.236 61.300 -0.235 0.000 1.350 759 I CB 0.959 38.738 38.000 -0.369 0.000 1.409 759 I HN 0.835 nan 8.210 nan 0.000 0.507 760 H N 2.077 121.038 119.070 -0.182 0.000 3.058 760 H HA 0.390 4.951 4.556 0.008 0.000 0.266 760 H C -0.540 174.737 175.328 -0.086 0.000 1.135 760 H CA -0.266 55.730 56.048 -0.088 0.000 1.174 760 H CB 0.848 30.594 29.762 -0.027 0.000 1.581 760 H HN 0.465 nan 8.280 nan 0.000 0.553 761 T N 1.290 115.699 114.554 -0.241 0.000 3.097 761 T HA 0.383 4.738 4.350 0.008 0.000 0.332 761 T C -1.542 172.915 174.700 -0.404 0.000 1.269 761 T CA -0.544 61.487 62.100 -0.115 0.000 1.076 761 T CB 1.790 70.697 68.868 0.066 0.000 1.209 761 T HN 0.072 nan 8.240 nan 0.000 0.474 762 F N 2.157 122.006 119.950 -0.169 0.000 2.492 762 F HA 0.590 5.122 4.527 0.008 0.000 0.327 762 F C 0.676 176.352 175.800 -0.206 0.000 1.079 762 F CA -0.856 57.115 58.000 -0.049 0.000 0.967 762 F CB 1.439 40.521 39.000 0.137 0.000 1.169 762 F HN 0.450 nan 8.300 nan 0.000 0.472 763 H N 0.919 120.299 119.070 0.517 0.000 2.689 763 H HA 0.698 5.258 4.556 0.008 0.000 0.346 763 H C 0.089 175.584 175.328 0.278 0.000 1.037 763 H CA -0.913 55.300 56.048 0.274 0.000 1.234 763 H CB 1.638 31.477 29.762 0.130 0.000 1.572 763 H HN 0.862 nan 8.280 nan 0.000 0.524 764 G N 2.175 110.954 108.800 -0.034 0.000 2.339 764 G HA2 -0.165 3.800 3.960 0.008 0.000 0.381 764 G HA3 -0.165 3.800 3.960 0.008 0.000 0.381 764 G C -1.366 173.074 174.900 -0.767 0.000 1.400 764 G CA -1.232 43.738 45.100 -0.218 0.000 1.002 764 G HN 0.468 nan 8.290 nan 0.000 0.633 765 N N 0.785 119.223 118.700 -0.436 0.000 2.405 765 N HA 0.693 5.438 4.740 0.008 0.000 0.260 765 N C -0.140 175.296 175.510 -0.123 0.000 1.152 765 N CA 0.786 53.607 53.050 -0.382 0.000 0.948 765 N CB 0.061 38.428 38.487 -0.201 0.000 1.111 765 N HN 0.898 nan 8.380 nan 0.000 0.485 766 F N -0.499 119.510 119.950 0.099 0.000 3.441 766 F HA 0.493 5.025 4.527 0.008 0.000 0.328 766 F C -2.179 173.769 175.800 0.246 0.000 1.037 766 F CA -1.705 56.386 58.000 0.152 0.000 0.825 766 F CB 0.561 39.631 39.000 0.117 0.000 1.585 766 F HN 0.099 nan 8.300 nan 0.000 0.450 767 F N 2.061 122.314 119.950 0.506 0.000 2.536 767 F HA 0.748 5.280 4.527 0.009 0.000 0.322 767 F C -1.411 174.492 175.800 0.172 0.000 1.144 767 F CA -1.699 56.508 58.000 0.345 0.000 0.924 767 F CB 1.688 40.805 39.000 0.196 0.000 1.181 767 F HN 0.485 nan 8.300 nan 0.000 0.438 768 V N 8.071 127.732 119.914 -0.421 0.000 2.405 768 V HA 0.311 4.436 4.120 0.008 0.000 0.264 768 V C 0.987 176.529 176.094 -0.920 0.000 1.048 768 V CA -0.469 61.438 62.300 -0.654 0.000 0.966 768 V CB 0.141 31.665 31.823 -0.499 0.000 1.015 768 V HN 0.721 nan 8.190 nan 0.000 0.477 769 R N 2.430 122.514 120.500 -0.692 0.000 0.907 769 R HA 0.171 4.516 4.340 0.008 0.000 0.051 769 R C 1.067 177.168 176.300 -0.331 0.000 0.449 769 R CA 0.061 55.865 56.100 -0.493 0.000 2.146 769 R CB -0.360 29.780 30.300 -0.265 0.000 0.497 769 R HN 0.615 nan 8.270 nan 0.000 0.796 770 S N 1.325 116.904 115.700 -0.201 0.000 2.465 770 S HA 0.005 4.480 4.470 0.008 0.000 0.280 770 S C -0.539 173.978 174.600 -0.139 0.000 1.232 770 S CA -0.044 58.075 58.200 -0.135 0.000 1.066 770 S CB -0.291 62.859 63.200 -0.082 0.000 0.929 770 S HN 0.368 nan 8.310 nan 0.000 0.494 771 T N 5.462 119.948 114.554 -0.112 0.000 1.844 771 T HA -0.188 4.166 4.350 0.008 0.000 0.463 771 T C 0.477 175.138 174.700 -0.065 0.000 1.016 771 T CA 1.844 63.914 62.100 -0.050 0.000 2.442 771 T CB -0.644 68.264 68.868 0.067 0.000 1.384 771 T HN 0.983 nan 8.240 nan 0.000 0.391 772 D N 0.588 120.874 120.400 -0.191 0.000 2.981 772 D HA -0.171 4.474 4.640 0.008 0.000 0.223 772 D C -0.230 175.939 176.300 -0.218 0.000 1.151 772 D CA 0.496 54.407 54.000 -0.148 0.000 0.827 772 D CB -0.803 40.086 40.800 0.148 0.000 1.101 772 D HN 0.492 nan 8.370 nan 0.000 0.426 773 L N 1.773 122.811 121.223 -0.309 0.000 2.599 773 L HA 0.367 4.712 4.340 0.008 0.000 0.241 773 L C -0.138 176.527 176.870 -0.343 0.000 1.207 773 L CA -0.525 54.172 54.840 -0.238 0.000 0.987 773 L CB 0.419 42.373 42.059 -0.176 0.000 1.318 773 L HN 0.045 nan 8.230 nan 0.000 0.458 774 L N 1.676 122.640 121.223 -0.431 0.000 2.500 774 L HA 0.125 4.470 4.340 0.008 0.000 0.272 774 L C 0.850 177.568 176.870 -0.253 0.000 1.149 774 L CA 0.269 54.792 54.840 -0.528 0.000 0.897 774 L CB 0.528 42.126 42.059 -0.769 0.000 1.178 774 L HN 0.509 nan 8.230 nan 0.000 0.473 775 S N 5.396 121.026 115.700 -0.117 0.000 2.489 775 S HA 0.497 4.972 4.470 0.008 0.000 0.277 775 S C -0.245 174.428 174.600 0.122 0.000 1.230 775 S CA -0.573 57.653 58.200 0.043 0.000 1.053 775 S CB 0.216 63.521 63.200 0.175 0.000 0.955 775 S HN 0.487 nan 8.310 nan 0.000 0.488 776 L N 7.458 128.730 121.223 0.082 0.000 2.462 776 L HA 0.324 4.669 4.340 0.008 0.000 0.255 776 L C -1.988 174.936 176.870 0.090 0.000 1.076 776 L CA -1.794 53.104 54.840 0.097 0.000 0.920 776 L CB 1.639 43.709 42.059 0.019 0.000 1.214 776 L HN 0.447 nan 8.230 nan 0.000 0.472 777 P HA -0.143 nan 4.420 nan 0.000 0.216 777 P C -0.032 177.340 177.300 0.120 0.000 1.154 777 P CA 1.470 64.649 63.100 0.131 0.000 0.865 777 P CB 0.228 32.012 31.700 0.140 0.000 0.789 778 N N -2.467 116.279 118.700 0.076 0.000 2.262 778 N HA 0.447 5.192 4.740 0.008 0.000 0.295 778 N C -1.822 173.662 175.510 -0.043 0.000 1.161 778 N CA -0.697 52.345 53.050 -0.014 0.000 0.767 778 N CB 2.213 40.711 38.487 0.019 0.000 1.499 778 N HN -0.342 nan 8.380 nan 0.000 0.476 779 V N 2.378 122.197 119.914 -0.159 0.000 2.524 779 V HA 0.552 4.677 4.120 0.008 0.000 0.297 779 V C -1.351 174.715 176.094 -0.046 0.000 1.035 779 V CA -0.694 61.498 62.300 -0.180 0.000 0.867 779 V CB 1.025 32.534 31.823 -0.523 0.000 1.004 779 V HN 0.847 nan 8.190 nan 0.000 0.426 780 N N 7.302 126.093 118.700 0.151 0.000 2.430 780 N HA 0.569 5.313 4.740 0.008 0.000 0.298 780 N C -2.367 173.373 175.510 0.383 0.000 1.130 780 N CA -1.909 51.293 53.050 0.254 0.000 0.894 780 N CB 2.200 40.779 38.487 0.153 0.000 1.209 780 N HN 0.407 nan 8.380 nan 0.000 0.503 781 P HA 0.047 nan 4.420 nan 0.000 0.242 781 P C -0.428 177.037 177.300 0.275 0.000 1.197 781 P CA 0.742 63.942 63.100 0.167 0.000 0.765 781 P CB 0.278 31.897 31.700 -0.134 0.000 0.936 782 D N -0.795 119.712 120.400 0.177 0.000 2.469 782 D HA 0.190 4.835 4.640 0.008 0.000 0.215 782 D C 0.642 176.922 176.300 -0.032 0.000 1.154 782 D CA -0.087 53.967 54.000 0.089 0.000 0.832 782 D CB 0.824 41.620 40.800 -0.007 0.000 1.008 782 D HN 0.099 nan 8.370 nan 0.000 0.506 783 A N 0.685 123.504 122.820 -0.002 0.000 2.310 783 A HA 0.662 4.987 4.320 0.008 0.000 0.299 783 A C 0.626 178.004 177.584 -0.345 0.000 1.147 783 A CA -0.270 51.654 52.037 -0.188 0.000 0.818 783 A CB 1.103 20.031 19.000 -0.119 0.000 1.096 783 A HN 0.093 nan 8.150 nan 0.000 0.495 784 G N -0.100 108.377 108.800 -0.538 0.000 2.473 784 G HA2 0.641 4.606 3.960 0.008 0.000 0.321 784 G HA3 0.641 4.606 3.960 0.008 0.000 0.321 784 G C -1.376 173.147 174.900 -0.628 0.000 1.200 784 G CA -0.409 44.438 45.100 -0.423 0.000 0.963 784 G HN 0.567 nan 8.290 nan 0.000 0.483 785 Y N -0.806 119.509 120.300 0.025 0.000 2.581 785 Y HA 0.734 5.289 4.550 0.008 0.000 0.345 785 Y C 0.330 176.278 175.900 0.081 0.000 1.036 785 Y CA -0.842 57.322 58.100 0.107 0.000 1.042 785 Y CB 2.492 41.045 38.460 0.155 0.000 1.289 785 Y HN 0.834 nan 8.280 nan 0.000 0.471 786 A N 0.877 123.888 122.820 0.319 0.000 2.515 786 A HA 0.930 5.255 4.320 0.008 0.000 0.296 786 A C -1.827 175.906 177.584 0.248 0.000 1.094 786 A CA -0.802 51.364 52.037 0.214 0.000 0.718 786 A CB 1.756 20.840 19.000 0.139 0.000 1.307 786 A HN 0.526 nan 8.150 nan 0.000 0.408 787 V N 0.490 120.464 119.914 0.102 0.000 2.971 787 V HA 0.543 4.668 4.120 0.008 0.000 0.309 787 V C -0.792 175.228 176.094 -0.123 0.000 1.130 787 V CA -0.427 61.830 62.300 -0.071 0.000 0.964 787 V CB 2.158 33.858 31.823 -0.204 0.000 1.029 787 V HN 1.026 nan 8.190 nan 0.000 0.427 788 Q N 4.235 123.872 119.800 -0.272 0.000 2.333 788 Q HA 0.788 5.133 4.340 0.008 0.000 0.268 788 Q C -0.909 174.690 176.000 -0.669 0.000 1.007 788 Q CA -0.518 55.062 55.803 -0.371 0.000 0.810 788 Q CB 1.666 30.233 28.738 -0.285 0.000 1.264 788 Q HN 0.782 nan 8.270 nan 0.000 0.452 789 M N 0.943 120.296 119.600 -0.412 0.000 2.821 789 M HA 0.792 5.277 4.480 0.008 0.000 0.304 789 M C -0.673 175.586 176.300 -0.068 0.000 1.233 789 M CA -1.064 54.075 55.300 -0.269 0.000 0.851 789 M CB 2.168 34.691 32.600 -0.128 0.000 1.723 789 M HN 0.587 nan 8.290 nan 0.000 0.493 790 S N -0.587 115.152 115.700 0.065 0.000 2.550 790 S HA 0.631 5.106 4.470 0.008 0.000 0.270 790 S C -1.008 173.641 174.600 0.083 0.000 1.145 790 S CA -0.959 57.312 58.200 0.118 0.000 0.852 790 S CB 1.618 64.944 63.200 0.210 0.000 1.119 790 S HN 0.553 nan 8.310 nan 0.000 0.465 791 V N 2.416 122.368 119.914 0.063 0.000 2.356 791 V HA 0.284 4.409 4.120 0.008 0.000 0.258 791 V C 1.440 177.562 176.094 0.047 0.000 1.065 791 V CA 0.005 62.337 62.300 0.053 0.000 0.935 791 V CB 0.078 31.926 31.823 0.040 0.000 1.061 791 V HN 1.104 nan 8.190 nan 0.000 0.484 792 E N 3.535 123.765 120.200 0.049 0.000 2.230 792 E HA 0.004 4.359 4.350 0.008 0.000 0.192 792 E C 0.233 176.852 176.600 0.033 0.000 0.987 792 E CA 0.591 57.015 56.400 0.041 0.000 0.841 792 E CB 0.487 30.213 29.700 0.043 0.000 0.783 792 E HN 0.818 nan 8.360 nan 0.000 0.481 793 E N 0.200 120.421 120.200 0.035 0.000 2.260 793 E HA 0.242 4.597 4.350 0.008 0.000 0.266 793 E C -1.350 175.270 176.600 0.033 0.000 0.887 793 E CA -0.466 55.953 56.400 0.032 0.000 0.777 793 E CB 2.102 31.825 29.700 0.037 0.000 1.205 793 E HN -0.076 nan 8.360 nan 0.000 0.414 794 S N 2.498 118.213 115.700 0.025 0.000 2.593 794 S HA -0.039 4.436 4.470 0.008 0.000 0.300 794 S C 0.931 175.547 174.600 0.026 0.000 1.267 794 S CA 0.101 58.314 58.200 0.022 0.000 1.065 794 S CB 0.173 63.381 63.200 0.013 0.000 0.807 794 S HN 0.445 nan 8.310 nan 0.000 0.499 795 L N 3.169 124.408 121.223 0.026 0.000 2.715 795 L HA 0.024 4.369 4.340 0.008 0.000 0.238 795 L C 2.316 179.195 176.870 0.014 0.000 1.212 795 L CA -0.030 54.828 54.840 0.031 0.000 1.017 795 L CB -1.442 40.636 42.059 0.032 0.000 1.269 795 L HN 0.882 nan 8.230 nan 0.000 0.452 796 T N -3.852 110.704 114.554 0.004 0.000 2.699 796 T HA -0.258 4.097 4.350 0.008 0.000 0.268 796 T C 1.258 175.943 174.700 -0.025 0.000 1.036 796 T CA 1.808 63.903 62.100 -0.008 0.000 1.147 796 T CB -0.185 68.677 68.868 -0.010 0.000 0.862 796 T HN 0.287 nan 8.240 nan 0.000 0.446 797 D N 1.849 122.225 120.400 -0.041 0.000 2.088 797 D HA 0.004 4.649 4.640 0.008 0.000 0.191 797 D C 1.269 177.518 176.300 -0.084 0.000 0.992 797 D CA 1.795 55.740 54.000 -0.091 0.000 0.831 797 D CB -0.605 40.096 40.800 -0.165 0.000 0.973 797 D HN 0.662 nan 8.370 nan 0.000 0.447 798 T N -0.918 113.610 114.554 -0.043 0.000 2.828 798 T HA 0.221 4.576 4.350 0.008 0.000 0.290 798 T C 0.727 175.429 174.700 0.004 0.000 1.019 798 T CA -0.533 61.568 62.100 0.001 0.000 1.031 798 T CB 1.299 70.228 68.868 0.102 0.000 1.001 798 T HN 0.237 nan 8.240 nan 0.000 0.531 799 Q N -0.097 119.708 119.800 0.008 0.000 2.157 799 Q HA 0.383 4.728 4.340 0.008 0.000 0.235 799 Q C -0.273 175.725 176.000 -0.002 0.000 0.803 799 Q CA -0.184 55.620 55.803 0.003 0.000 0.967 799 Q CB 0.491 29.229 28.738 0.001 0.000 1.150 799 Q HN 0.512 nan 8.270 nan 0.000 0.482 800 L N 1.944 123.165 121.223 -0.003 0.000 2.455 800 L HA 0.617 4.962 4.340 0.008 0.000 0.264 800 L C -0.739 176.086 176.870 -0.075 0.000 0.968 800 L CA -1.337 53.477 54.840 -0.042 0.000 0.827 800 L CB 2.468 44.504 42.059 -0.038 0.000 1.317 800 L HN -0.040 nan 8.230 nan 0.000 0.407 801 V N -0.962 118.853 119.914 -0.166 0.000 2.960 801 V HA 0.834 4.959 4.120 0.008 0.000 0.315 801 V C -0.242 175.526 176.094 -0.543 0.000 1.087 801 V CA -0.410 61.707 62.300 -0.305 0.000 0.982 801 V CB 1.929 33.575 31.823 -0.295 0.000 1.039 801 V HN 0.720 nan 8.190 nan 0.000 0.437 802 S N 1.561 116.843 115.700 -0.696 0.000 2.570 802 S HA 0.908 5.383 4.470 0.008 0.000 0.286 802 S C -1.382 172.626 174.600 -0.986 0.000 1.099 802 S CA -0.289 57.477 58.200 -0.724 0.000 0.913 802 S CB 1.567 64.597 63.200 -0.284 0.000 1.085 802 S HN 0.635 nan 8.310 nan 0.000 0.480 803 F N 1.489 121.378 119.950 -0.102 0.000 2.529 803 F HA 0.583 5.115 4.527 0.008 0.000 0.320 803 F C 0.113 175.984 175.800 0.120 0.000 1.118 803 F CA -0.584 57.400 58.000 -0.026 0.000 0.915 803 F CB 1.767 40.659 39.000 -0.180 0.000 1.161 803 F HN 0.382 nan 8.300 nan 0.000 0.445 804 Q N 2.123 122.166 119.800 0.403 0.000 2.285 804 Q HA 0.597 4.942 4.340 0.008 0.000 0.269 804 Q C -1.306 174.954 176.000 0.434 0.000 1.030 804 Q CA -0.616 55.446 55.803 0.432 0.000 0.788 804 Q CB 2.185 31.117 28.738 0.324 0.000 1.266 804 Q HN 0.821 nan 8.270 nan 0.000 0.438 805 S N 1.561 117.530 115.700 0.449 0.000 2.537 805 S HA 0.946 5.421 4.470 0.008 0.000 0.301 805 S C -0.829 173.886 174.600 0.193 0.000 1.092 805 S CA -0.665 57.689 58.200 0.257 0.000 1.048 805 S CB 2.008 65.271 63.200 0.104 0.000 1.053 805 S HN 0.644 nan 8.310 nan 0.000 0.501 806 A N 2.147 125.049 122.820 0.137 0.000 2.381 806 A HA 0.686 5.011 4.320 0.008 0.000 0.299 806 A C -1.376 176.238 177.584 0.050 0.000 1.049 806 A CA -0.634 51.458 52.037 0.090 0.000 0.715 806 A CB 1.224 20.375 19.000 0.250 0.000 1.222 806 A HN 0.806 nan 8.150 nan 0.000 0.428 807 L N 3.358 124.596 121.223 0.024 0.000 2.277 807 L HA 0.572 4.917 4.340 0.008 0.000 0.284 807 L C -1.001 175.960 176.870 0.152 0.000 1.028 807 L CA -0.942 53.919 54.840 0.035 0.000 0.835 807 L CB 0.895 42.938 42.059 -0.028 0.000 1.215 807 L HN 0.669 nan 8.230 nan 0.000 0.425 808 L N 7.871 129.175 121.223 0.136 0.000 2.257 808 L HA 0.593 4.938 4.340 0.008 0.000 0.290 808 L C -0.983 176.001 176.870 0.191 0.000 1.044 808 L CA -0.099 54.828 54.840 0.145 0.000 0.810 808 L CB 0.558 42.700 42.059 0.139 0.000 1.193 808 L HN 0.606 nan 8.230 nan 0.000 0.425 809 Y N 0.844 121.133 120.300 -0.019 0.000 2.705 809 Y HA 0.731 5.286 4.550 0.008 0.000 0.332 809 Y C -1.038 174.883 175.900 0.034 0.000 1.221 809 Y CA -1.133 56.953 58.100 -0.022 0.000 1.059 809 Y CB 1.035 39.415 38.460 -0.132 0.000 1.298 809 Y HN 0.329 nan 8.280 nan 0.000 0.459 810 T N 2.599 117.233 114.554 0.133 0.000 2.758 810 T HA 0.429 4.784 4.350 0.008 0.000 0.285 810 T C -0.147 174.733 174.700 0.299 0.000 0.981 810 T CA -0.580 61.581 62.100 0.101 0.000 0.965 810 T CB 0.685 69.649 68.868 0.160 0.000 0.927 810 T HN 0.865 nan 8.240 nan 0.000 0.448 811 S N 2.360 118.168 115.700 0.180 0.000 2.596 811 S HA 0.092 4.567 4.470 0.008 0.000 0.260 811 S C 1.804 176.612 174.600 0.346 0.000 1.336 811 S CA -0.099 58.299 58.200 0.331 0.000 0.993 811 S CB 0.544 63.876 63.200 0.220 0.000 0.923 811 S HN 0.749 nan 8.310 nan 0.000 0.567 812 S N 0.260 116.167 115.700 0.345 0.000 2.500 812 S HA 0.006 4.481 4.470 0.008 0.000 0.239 812 S C 0.906 175.633 174.600 0.211 0.000 0.989 812 S CA 0.334 58.748 58.200 0.357 0.000 0.951 812 S CB -0.389 62.998 63.200 0.312 0.000 0.759 812 S HN 0.681 nan 8.310 nan 0.000 0.523 813 K N 0.822 121.320 120.400 0.163 0.000 2.440 813 K HA 0.304 4.629 4.320 0.008 0.000 0.206 813 K C 1.039 177.680 176.600 0.069 0.000 1.025 813 K CA 0.397 56.744 56.287 0.100 0.000 1.135 813 K CB 0.091 32.641 32.500 0.084 0.000 0.856 813 K HN 0.503 nan 8.250 nan 0.000 0.502 814 G N 2.038 110.884 108.800 0.077 0.000 2.176 814 G HA2 -0.272 3.693 3.960 0.008 0.000 0.252 814 G HA3 -0.272 3.693 3.960 0.008 0.000 0.252 814 G C -0.475 174.439 174.900 0.023 0.000 1.024 814 G CA 0.099 45.223 45.100 0.041 0.000 0.755 814 G HN 0.409 nan 8.290 nan 0.000 0.507 815 E N 0.006 120.217 120.200 0.019 0.000 2.165 815 E HA 0.425 4.780 4.350 0.008 0.000 0.266 815 E C 0.228 176.769 176.600 -0.099 0.000 0.889 815 E CA -1.116 55.268 56.400 -0.027 0.000 0.756 815 E CB 1.177 30.864 29.700 -0.022 0.000 1.131 815 E HN 0.018 nan 8.360 nan 0.000 0.411 816 R N 2.954 123.394 120.500 -0.100 0.000 2.401 816 R HA 0.271 4.616 4.340 0.008 0.000 0.299 816 R C -0.115 176.036 176.300 -0.250 0.000 1.064 816 R CA 0.335 56.338 56.100 -0.161 0.000 1.000 816 R CB 0.226 30.485 30.300 -0.068 0.000 0.973 816 R HN 0.557 nan 8.270 nan 0.000 0.438 817 R N 2.805 123.024 120.500 -0.468 0.000 2.808 817 R HA 0.568 4.913 4.340 0.008 0.000 0.272 817 R C -0.463 175.653 176.300 -0.307 0.000 0.995 817 R CA -0.946 54.905 56.100 -0.415 0.000 0.917 817 R CB 1.988 31.992 30.300 -0.493 0.000 1.217 817 R HN 0.426 nan 8.270 nan 0.000 0.471 818 I N 1.717 122.232 120.570 -0.092 0.000 2.439 818 I HA 0.370 4.545 4.170 0.008 0.000 0.283 818 I C -0.313 175.819 176.117 0.025 0.000 1.023 818 I CA -0.586 60.714 61.300 -0.000 0.000 1.100 818 I CB 1.924 39.895 38.000 -0.048 0.000 1.238 818 I HN 0.306 nan 8.210 nan 0.000 0.445 819 R N 5.863 126.407 120.500 0.075 0.000 2.312 819 R HA 0.750 5.095 4.340 0.008 0.000 0.311 819 R C -1.496 174.668 176.300 -0.226 0.000 1.004 819 R CA -0.397 55.674 56.100 -0.048 0.000 0.902 819 R CB 1.442 31.783 30.300 0.070 0.000 1.073 819 R HN 0.437 nan 8.270 nan 0.000 0.457 820 V N 4.504 124.211 119.914 -0.345 0.000 2.656 820 V HA 0.437 4.562 4.120 0.008 0.000 0.307 820 V C -0.654 175.228 176.094 -0.354 0.000 1.051 820 V CA -0.882 61.239 62.300 -0.299 0.000 0.893 820 V CB 1.872 33.593 31.823 -0.170 0.000 0.999 820 V HN 0.807 nan 8.190 nan 0.000 0.426 821 H N 1.506 120.691 119.070 0.191 0.000 2.637 821 H HA 0.699 5.260 4.556 0.008 0.000 0.363 821 H C -0.884 174.674 175.328 0.383 0.000 1.131 821 H CA -0.515 55.703 56.048 0.284 0.000 1.183 821 H CB 2.508 32.482 29.762 0.354 0.000 1.637 821 H HN 0.604 nan 8.280 nan 0.000 0.531 822 T N 2.919 117.756 114.554 0.472 0.000 2.921 822 T HA 0.307 4.662 4.350 0.008 0.000 0.297 822 T C -0.777 174.116 174.700 0.322 0.000 1.013 822 T CA -0.643 61.698 62.100 0.401 0.000 0.990 822 T CB 1.682 70.797 68.868 0.412 0.000 1.023 822 T HN 0.263 nan 8.240 nan 0.000 0.447 823 L N 2.922 124.161 121.223 0.027 0.000 2.362 823 L HA 0.839 5.184 4.340 0.008 0.000 0.275 823 L C -0.884 175.780 176.870 -0.342 0.000 0.998 823 L CA -0.624 54.107 54.840 -0.182 0.000 0.820 823 L CB 1.325 43.092 42.059 -0.487 0.000 1.270 823 L HN 0.887 nan 8.230 nan 0.000 0.415 824 C N 6.379 125.294 119.300 -0.643 0.000 2.379 824 C HA 0.832 5.297 4.460 0.008 0.000 0.323 824 C C -0.696 174.057 174.990 -0.395 0.000 1.262 824 C CA -0.710 57.840 59.018 -0.779 0.000 1.581 824 C CB 0.002 26.756 27.740 -1.644 0.000 2.221 824 C HN 0.871 nan 8.230 nan 0.000 0.497 825 L N 6.879 127.949 121.223 -0.254 0.000 2.393 825 L HA 0.665 5.010 4.340 0.008 0.000 0.260 825 L C -2.254 174.566 176.870 -0.084 0.000 1.002 825 L CA -1.688 53.089 54.840 -0.105 0.000 0.818 825 L CB 2.732 44.808 42.059 0.028 0.000 1.369 825 L HN 0.488 nan 8.230 nan 0.000 0.412 826 P HA 0.237 nan 4.420 nan 0.000 0.281 826 P C -1.073 176.223 177.300 -0.006 0.000 1.249 826 P CA -0.388 62.700 63.100 -0.020 0.000 0.810 826 P CB 1.986 33.684 31.700 -0.003 0.000 1.008 827 V N 2.936 122.849 119.914 -0.003 0.000 2.472 827 V HA 0.428 4.553 4.120 0.008 0.000 0.290 827 V C 0.646 176.744 176.094 0.007 0.000 1.037 827 V CA -0.500 61.803 62.300 0.004 0.000 0.908 827 V CB 1.584 33.410 31.823 0.005 0.000 0.985 827 V HN 0.502 nan 8.190 nan 0.000 0.454 828 V N 1.577 121.495 119.914 0.007 0.000 2.962 828 V HA 0.779 4.904 4.120 0.008 0.000 0.313 828 V C 0.162 176.260 176.094 0.007 0.000 1.099 828 V CA -0.258 62.047 62.300 0.009 0.000 0.971 828 V CB 2.103 33.934 31.823 0.012 0.000 1.028 828 V HN 0.854 nan 8.190 nan 0.000 0.430 829 S N -0.274 115.433 115.700 0.011 0.000 2.624 829 S HA 0.456 4.931 4.470 0.008 0.000 0.246 829 S C 0.191 174.801 174.600 0.017 0.000 1.072 829 S CA -0.263 57.944 58.200 0.011 0.000 1.045 829 S CB -0.153 63.053 63.200 0.010 0.000 0.851 829 S HN 0.949 nan 8.310 nan 0.000 0.480 830 T N 1.599 116.166 114.554 0.023 0.000 2.916 830 T HA 0.422 4.777 4.350 0.008 0.000 0.298 830 T C 0.893 175.624 174.700 0.052 0.000 1.031 830 T CA -0.695 61.429 62.100 0.040 0.000 0.993 830 T CB 1.769 70.667 68.868 0.050 0.000 1.045 830 T HN 0.178 nan 8.240 nan 0.000 0.454 831 L N 2.932 124.201 121.223 0.076 0.000 2.013 831 L HA -0.170 4.175 4.340 0.008 0.000 0.212 831 L C 2.615 179.627 176.870 0.237 0.000 1.073 831 L CA 1.567 56.477 54.840 0.116 0.000 0.753 831 L CB -0.178 41.996 42.059 0.191 0.000 0.890 831 L HN 0.743 nan 8.230 nan 0.000 0.432 832 N N -0.314 118.535 118.700 0.248 0.000 2.104 832 N HA -0.228 4.517 4.740 0.008 0.000 0.190 832 N C 1.253 176.899 175.510 0.226 0.000 1.024 832 N CA 1.632 54.858 53.050 0.294 0.000 0.853 832 N CB 0.030 38.627 38.487 0.182 0.000 1.008 832 N HN 0.377 nan 8.380 nan 0.000 0.424 833 D N 0.215 120.692 120.400 0.128 0.000 2.219 833 D HA -0.070 4.575 4.640 0.008 0.000 0.205 833 D C 2.034 178.366 176.300 0.053 0.000 0.970 833 D CA 0.485 54.535 54.000 0.083 0.000 0.851 833 D CB 0.076 40.906 40.800 0.050 0.000 0.943 833 D HN 0.152 nan 8.370 nan 0.000 0.488 834 V N 0.381 120.299 119.914 0.007 0.000 2.379 834 V HA -0.181 3.944 4.120 0.008 0.000 0.245 834 V C 2.144 178.170 176.094 -0.112 0.000 1.044 834 V CA 1.181 63.419 62.300 -0.104 0.000 1.036 834 V CB -0.666 31.018 31.823 -0.232 0.000 0.664 834 V HN 0.088 nan 8.190 nan 0.000 0.453 835 F N -0.179 119.788 119.950 0.028 0.000 2.186 835 F HA -0.074 4.458 4.527 0.008 0.000 0.299 835 F C 2.166 177.960 175.800 -0.010 0.000 1.090 835 F CA 1.198 59.195 58.000 -0.005 0.000 1.307 835 F CB -0.347 38.664 39.000 0.018 0.000 1.019 835 F HN 0.047 nan 8.300 nan 0.000 0.489 836 L N -0.665 120.685 121.223 0.211 0.000 2.187 836 L HA -0.163 4.182 4.340 0.008 0.000 0.213 836 L C 2.399 179.322 176.870 0.088 0.000 1.100 836 L CA 1.337 56.259 54.840 0.136 0.000 0.765 836 L CB -0.932 41.195 42.059 0.114 0.000 0.904 836 L HN 0.239 nan 8.230 nan 0.000 0.437 837 G N -0.890 107.944 108.800 0.056 0.000 3.020 837 G HA2 0.285 4.250 3.960 0.008 0.000 0.217 837 G HA3 0.285 4.250 3.960 0.008 0.000 0.217 837 G C 0.684 175.582 174.900 -0.004 0.000 1.144 837 G CA 0.306 45.420 45.100 0.023 0.000 0.760 837 G HN 0.309 nan 8.290 nan 0.000 0.548 838 A N 0.948 123.761 122.820 -0.012 0.000 2.567 838 A HA 0.307 4.632 4.320 0.008 0.000 0.240 838 A C -0.160 177.387 177.584 -0.062 0.000 1.053 838 A CA 0.138 52.139 52.037 -0.061 0.000 0.755 838 A CB 0.230 19.188 19.000 -0.069 0.000 0.978 838 A HN 0.155 nan 8.150 nan 0.000 0.507 839 D N 3.278 123.631 120.400 -0.079 0.000 2.443 839 D HA 0.168 4.813 4.640 0.008 0.000 0.221 839 D C 1.067 177.314 176.300 -0.089 0.000 1.097 839 D CA -0.232 53.733 54.000 -0.060 0.000 0.865 839 D CB 1.258 42.031 40.800 -0.046 0.000 1.034 839 D HN 0.214 nan 8.370 nan 0.000 0.511 840 V N 4.591 124.457 119.914 -0.080 0.000 2.332 840 V HA -0.287 3.838 4.120 0.008 0.000 0.248 840 V C 1.989 178.106 176.094 0.039 0.000 1.055 840 V CA 2.056 64.311 62.300 -0.076 0.000 1.038 840 V CB -0.061 31.751 31.823 -0.019 0.000 0.651 840 V HN 0.582 nan 8.190 nan 0.000 0.450 841 Q N -0.338 119.493 119.800 0.051 0.000 2.046 841 Q HA -0.095 4.250 4.340 0.008 0.000 0.200 841 Q C 2.415 178.388 176.000 -0.046 0.000 0.975 841 Q CA 1.685 57.479 55.803 -0.015 0.000 0.836 841 Q CB -0.455 28.234 28.738 -0.081 0.000 0.896 841 Q HN 0.742 nan 8.270 nan 0.000 0.428 842 A N 0.908 123.700 122.820 -0.048 0.000 1.940 842 A HA -0.191 4.134 4.320 0.008 0.000 0.219 842 A C 2.015 179.566 177.584 -0.056 0.000 1.176 842 A CA 1.235 53.240 52.037 -0.052 0.000 0.631 842 A CB -0.633 18.338 19.000 -0.048 0.000 0.814 842 A HN 0.320 nan 8.150 nan 0.000 0.446 843 I N -0.549 119.977 120.570 -0.073 0.000 2.353 843 I HA -0.184 3.991 4.170 0.008 0.000 0.248 843 I C 2.635 178.756 176.117 0.007 0.000 1.119 843 I CA 1.161 62.415 61.300 -0.077 0.000 1.417 843 I CB -0.199 37.671 38.000 -0.216 0.000 1.078 843 I HN 0.227 nan 8.210 nan 0.000 0.421 844 S N 0.804 116.531 115.700 0.046 0.000 2.353 844 S HA -0.150 4.325 4.470 0.008 0.000 0.222 844 S C 2.143 176.754 174.600 0.019 0.000 1.035 844 S CA 1.522 59.780 58.200 0.096 0.000 1.025 844 S CB -0.860 62.393 63.200 0.089 0.000 0.902 844 S HN 0.630 nan 8.310 nan 0.000 0.440 845 G N 1.884 110.667 108.800 -0.029 0.000 2.480 845 G HA2 -0.203 3.762 3.960 0.008 0.000 0.216 845 G HA3 -0.203 3.762 3.960 0.008 0.000 0.216 845 G C 1.391 176.252 174.900 -0.065 0.000 1.200 845 G CA 1.080 46.149 45.100 -0.052 0.000 0.782 845 G HN 0.417 nan 8.290 nan 0.000 0.554 846 L N 0.531 121.713 121.223 -0.068 0.000 2.127 846 L HA 0.050 4.395 4.340 0.008 0.000 0.211 846 L C 2.654 179.459 176.870 -0.109 0.000 1.089 846 L CA 1.316 56.094 54.840 -0.104 0.000 0.757 846 L CB -0.348 41.666 42.059 -0.074 0.000 0.899 846 L HN 0.240 nan 8.230 nan 0.000 0.434 847 L N -1.177 120.019 121.223 -0.044 0.000 2.093 847 L HA -0.128 4.217 4.340 0.008 0.000 0.208 847 L C 2.644 179.475 176.870 -0.065 0.000 1.085 847 L CA 0.959 55.780 54.840 -0.032 0.000 0.755 847 L CB -0.868 41.211 42.059 0.034 0.000 0.904 847 L HN 0.361 nan 8.230 nan 0.000 0.435 848 A N 0.401 123.201 122.820 -0.033 0.000 1.865 848 A HA -0.238 4.087 4.320 0.008 0.000 0.217 848 A C 2.082 179.691 177.584 0.040 0.000 1.191 848 A CA 1.932 54.000 52.037 0.051 0.000 0.623 848 A CB -0.729 18.330 19.000 0.099 0.000 0.826 848 A HN 0.449 nan 8.150 nan 0.000 0.444 849 N N -0.445 118.195 118.700 -0.100 0.000 2.061 849 N HA -0.211 4.534 4.740 0.008 0.000 0.193 849 N C 1.878 177.280 175.510 -0.181 0.000 1.030 849 N CA 2.060 54.978 53.050 -0.221 0.000 0.856 849 N CB -0.364 37.768 38.487 -0.592 0.000 1.023 849 N HN 0.552 nan 8.380 nan 0.000 0.424 850 M N 0.762 120.238 119.600 -0.207 0.000 2.080 850 M HA -0.145 4.340 4.480 0.008 0.000 0.260 850 M C 2.388 178.700 176.300 0.020 0.000 1.068 850 M CA 1.613 56.885 55.300 -0.047 0.000 1.109 850 M CB -0.267 32.313 32.600 -0.034 0.000 1.342 850 M HN 0.161 nan 8.290 nan 0.000 0.405 851 A N -0.387 122.424 122.820 -0.015 0.000 1.933 851 A HA -0.095 4.230 4.320 0.008 0.000 0.218 851 A C 2.241 179.931 177.584 0.177 0.000 1.175 851 A CA 1.509 53.524 52.037 -0.036 0.000 0.628 851 A CB -0.966 17.800 19.000 -0.389 0.000 0.814 851 A HN 0.301 nan 8.150 nan 0.000 0.444 852 V N 0.742 120.814 119.914 0.262 0.000 2.295 852 V HA -0.260 3.865 4.120 0.008 0.000 0.246 852 V C 2.159 178.338 176.094 0.142 0.000 1.049 852 V CA 2.387 64.822 62.300 0.225 0.000 1.024 852 V CB -0.770 31.118 31.823 0.109 0.000 0.648 852 V HN 0.517 nan 8.190 nan 0.000 0.447 853 D N -0.429 120.050 120.400 0.132 0.000 2.178 853 D HA -0.167 4.478 4.640 0.008 0.000 0.201 853 D C 2.300 178.665 176.300 0.108 0.000 0.980 853 D CA 1.025 55.103 54.000 0.129 0.000 0.842 853 D CB -0.299 40.606 40.800 0.176 0.000 0.948 853 D HN 0.209 nan 8.370 nan 0.000 0.472 854 R N 0.938 121.497 120.500 0.099 0.000 2.096 854 R HA -0.014 4.331 4.340 0.008 0.000 0.235 854 R C 2.049 178.397 176.300 0.080 0.000 1.127 854 R CA 1.137 57.282 56.100 0.075 0.000 0.968 854 R CB -0.515 29.813 30.300 0.047 0.000 0.861 854 R HN -0.052 nan 8.270 nan 0.000 0.440 855 S N 0.132 115.898 115.700 0.109 0.000 2.343 855 S HA -0.124 4.351 4.470 0.008 0.000 0.219 855 S C 1.805 176.451 174.600 0.076 0.000 1.033 855 S CA 1.569 59.833 58.200 0.107 0.000 1.014 855 S CB -0.196 63.089 63.200 0.143 0.000 0.915 855 S HN 0.232 nan 8.310 nan 0.000 0.435 856 M N 1.042 120.687 119.600 0.074 0.000 2.108 856 M HA -0.076 4.409 4.480 0.008 0.000 0.261 856 M C 2.344 178.683 176.300 0.064 0.000 1.066 856 M CA 1.500 56.838 55.300 0.064 0.000 1.107 856 M CB -2.097 30.543 32.600 0.068 0.000 1.356 856 M HN 0.250 nan 8.290 nan 0.000 0.406 857 T N 0.163 114.759 114.554 0.069 0.000 2.951 857 T HA 0.168 4.523 4.350 0.008 0.000 0.268 857 T C 1.252 175.982 174.700 0.051 0.000 1.073 857 T CA 1.231 63.368 62.100 0.062 0.000 1.134 857 T CB 0.184 69.093 68.868 0.069 0.000 0.884 857 T HN 0.490 nan 8.240 nan 0.000 0.479 858 A N 0.478 123.328 122.820 0.050 0.000 2.144 858 A HA 0.739 5.064 4.320 0.008 0.000 0.191 858 A C 0.264 177.872 177.584 0.042 0.000 1.705 858 A CA 0.314 52.376 52.037 0.041 0.000 1.653 858 A CB 0.289 19.311 19.000 0.037 0.000 1.624 858 A HN 0.457 nan 8.150 nan 0.000 0.691 859 S N -2.075 113.651 115.700 0.043 0.000 2.685 859 S HA 0.529 5.004 4.470 0.008 0.000 0.282 859 S C 0.311 174.946 174.600 0.058 0.000 1.159 859 S CA 0.130 58.356 58.200 0.044 0.000 0.833 859 S CB 0.996 64.216 63.200 0.033 0.000 1.151 859 S HN 1.198 nan 8.310 nan 0.000 0.485 860 L N 1.716 122.977 121.223 0.064 0.000 2.141 860 L HA 0.109 4.454 4.340 0.008 0.000 0.209 860 L C 2.279 179.191 176.870 0.070 0.000 1.094 860 L CA 2.134 57.030 54.840 0.093 0.000 0.763 860 L CB -1.293 40.819 42.059 0.089 0.000 0.908 860 L HN 0.825 nan 8.230 nan 0.000 0.437 861 S N -0.224 115.502 115.700 0.044 0.000 2.343 861 S HA -0.190 4.285 4.470 0.008 0.000 0.219 861 S C 1.617 176.226 174.600 0.015 0.000 1.033 861 S CA 1.411 59.627 58.200 0.027 0.000 1.014 861 S CB -0.613 62.599 63.200 0.021 0.000 0.915 861 S HN 0.529 nan 8.310 nan 0.000 0.435 862 D N 2.004 122.415 120.400 0.018 0.000 2.116 862 D HA -0.122 4.523 4.640 0.008 0.000 0.193 862 D C 2.249 178.545 176.300 -0.007 0.000 0.998 862 D CA 1.451 55.456 54.000 0.009 0.000 0.836 862 D CB -0.486 40.325 40.800 0.018 0.000 0.951 862 D HN 0.408 nan 8.370 nan 0.000 0.449 863 A N 1.337 124.158 122.820 0.001 0.000 1.892 863 A HA -0.234 4.091 4.320 0.008 0.000 0.218 863 A C 2.220 179.723 177.584 -0.136 0.000 1.188 863 A CA 1.594 53.605 52.037 -0.044 0.000 0.631 863 A CB -0.577 18.444 19.000 0.034 0.000 0.822 863 A HN 0.158 nan 8.150 nan 0.000 0.447 864 R N -0.509 119.938 120.500 -0.087 0.000 2.120 864 R HA -0.102 4.243 4.340 0.008 0.000 0.234 864 R C 1.558 177.808 176.300 -0.084 0.000 1.123 864 R CA 1.388 57.421 56.100 -0.110 0.000 0.975 864 R CB -0.311 29.970 30.300 -0.032 0.000 0.866 864 R HN 0.545 nan 8.270 nan 0.000 0.446 865 D N 0.637 121.007 120.400 -0.049 0.000 2.091 865 D HA -0.086 4.559 4.640 0.008 0.000 0.199 865 D C 1.896 178.171 176.300 -0.041 0.000 0.980 865 D CA 1.410 55.391 54.000 -0.032 0.000 0.831 865 D CB -0.415 40.377 40.800 -0.012 0.000 0.987 865 D HN 0.175 nan 8.370 nan 0.000 0.460 866 A N 1.138 123.932 122.820 -0.044 0.000 1.927 866 A HA -0.198 4.127 4.320 0.008 0.000 0.220 866 A C 2.410 179.961 177.584 -0.056 0.000 1.185 866 A CA 1.196 53.210 52.037 -0.039 0.000 0.639 866 A CB -0.940 18.038 19.000 -0.036 0.000 0.820 866 A HN 0.201 nan 8.150 nan 0.000 0.451 867 L N -0.763 120.397 121.223 -0.106 0.000 1.976 867 L HA -0.183 4.162 4.340 0.008 0.000 0.209 867 L C 2.570 179.392 176.870 -0.079 0.000 1.071 867 L CA 1.505 56.272 54.840 -0.122 0.000 0.746 867 L CB -0.536 41.389 42.059 -0.224 0.000 0.890 867 L HN 0.275 nan 8.230 nan 0.000 0.432 868 V N 0.076 119.959 119.914 -0.053 0.000 2.490 868 V HA -0.268 3.857 4.120 0.008 0.000 0.250 868 V C 2.170 178.222 176.094 -0.071 0.000 1.061 868 V CA 1.656 63.935 62.300 -0.035 0.000 1.064 868 V CB -0.804 30.999 31.823 -0.033 0.000 0.670 868 V HN 0.491 nan 8.190 nan 0.000 0.461 869 N N 0.741 119.415 118.700 -0.043 0.000 2.166 869 N HA -0.111 4.634 4.740 0.008 0.000 0.186 869 N C 1.966 177.469 175.510 -0.012 0.000 1.019 869 N CA 1.629 54.665 53.050 -0.023 0.000 0.856 869 N CB -0.526 37.958 38.487 -0.005 0.000 0.993 869 N HN 0.494 nan 8.380 nan 0.000 0.426 870 A N 0.927 123.745 122.820 -0.003 0.000 1.892 870 A HA -0.129 4.196 4.320 0.008 0.000 0.218 870 A C 2.535 180.148 177.584 0.048 0.000 1.188 870 A CA 1.606 53.687 52.037 0.073 0.000 0.631 870 A CB -0.868 18.215 19.000 0.137 0.000 0.822 870 A HN 0.109 nan 8.150 nan 0.000 0.447 871 V N 0.629 120.400 119.914 -0.238 0.000 2.237 871 V HA -0.252 3.873 4.120 0.008 0.000 0.245 871 V C 2.483 178.492 176.094 -0.142 0.000 1.046 871 V CA 1.819 63.832 62.300 -0.479 0.000 1.007 871 V CB -0.700 30.765 31.823 -0.596 0.000 0.638 871 V HN 0.520 nan 8.190 nan 0.000 0.445 872 I N 0.600 121.096 120.570 -0.122 0.000 2.091 872 I HA -0.270 3.905 4.170 0.008 0.000 0.239 872 I C 2.374 178.497 176.117 0.010 0.000 1.061 872 I CA 2.109 63.370 61.300 -0.065 0.000 1.317 872 I CB -1.343 36.622 38.000 -0.057 0.000 1.031 872 I HN 0.379 nan 8.210 nan 0.000 0.401 873 D N 0.827 121.250 120.400 0.037 0.000 2.144 873 D HA -0.129 4.516 4.640 0.008 0.000 0.199 873 D C 2.351 178.740 176.300 0.147 0.000 0.984 873 D CA 1.741 55.787 54.000 0.077 0.000 0.834 873 D CB -0.163 40.680 40.800 0.072 0.000 0.955 873 D HN 0.437 nan 8.370 nan 0.000 0.465 874 S N 0.562 116.387 115.700 0.209 0.000 2.357 874 S HA -0.067 4.408 4.470 0.008 0.000 0.221 874 S C 2.277 177.073 174.600 0.326 0.000 1.031 874 S CA 0.468 58.873 58.200 0.342 0.000 0.982 874 S CB -0.754 62.731 63.200 0.476 0.000 0.853 874 S HN 0.213 nan 8.310 nan 0.000 0.458 875 L N 1.495 122.841 121.223 0.205 0.000 2.083 875 L HA -0.060 4.285 4.340 0.008 0.000 0.209 875 L C 3.162 180.112 176.870 0.134 0.000 1.083 875 L CA 1.413 56.330 54.840 0.129 0.000 0.752 875 L CB -0.845 41.246 42.059 0.053 0.000 0.899 875 L HN 0.492 nan 8.230 nan 0.000 0.433 876 S N 0.026 115.786 115.700 0.099 0.000 2.356 876 S HA -0.191 4.284 4.470 0.008 0.000 0.223 876 S C 2.165 176.822 174.600 0.095 0.000 1.032 876 S CA 1.310 59.550 58.200 0.067 0.000 1.005 876 S CB -0.086 63.138 63.200 0.040 0.000 0.867 876 S HN 0.428 nan 8.310 nan 0.000 0.449 877 A N 0.132 123.047 122.820 0.158 0.000 1.940 877 A HA -0.073 4.252 4.320 0.008 0.000 0.219 877 A C 2.034 179.747 177.584 0.216 0.000 1.176 877 A CA 1.794 53.946 52.037 0.192 0.000 0.631 877 A CB -1.207 17.952 19.000 0.264 0.000 0.814 877 A HN 0.760 nan 8.150 nan 0.000 0.446 878 Y N 0.476 120.812 120.300 0.060 0.000 2.114 878 Y HA -0.242 4.313 4.550 0.008 0.000 0.284 878 Y C 2.535 178.376 175.900 -0.099 0.000 1.143 878 Y CA 2.270 60.268 58.100 -0.170 0.000 1.135 878 Y CB -0.537 37.626 38.460 -0.495 0.000 0.980 878 Y HN 0.343 nan 8.280 nan 0.000 0.499 879 R N -0.284 120.160 120.500 -0.094 0.000 2.091 879 R HA -0.143 4.202 4.340 0.008 0.000 0.238 879 R C 1.871 178.085 176.300 -0.145 0.000 1.136 879 R CA 1.830 57.837 56.100 -0.156 0.000 0.959 879 R CB -0.585 29.692 30.300 -0.039 0.000 0.856 879 R HN 0.270 nan 8.270 nan 0.000 0.437 880 S N -0.509 115.149 115.700 -0.069 0.000 2.727 880 S HA -0.005 4.470 4.470 0.008 0.000 0.226 880 S C 0.568 175.130 174.600 -0.063 0.000 0.963 880 S CA 0.651 58.822 58.200 -0.048 0.000 0.950 880 S CB 0.238 63.434 63.200 -0.007 0.000 0.779 880 S HN 0.265 nan 8.310 nan 0.000 0.532 881 S N 0.827 116.446 115.700 -0.135 0.000 2.941 881 S HA 0.417 4.892 4.470 0.008 0.000 0.248 881 S C -0.251 174.204 174.600 -0.241 0.000 0.962 881 S CA -0.371 57.749 58.200 -0.133 0.000 1.092 881 S CB -0.271 62.898 63.200 -0.050 0.000 1.113 881 S HN 0.326 nan 8.310 nan 0.000 0.512 889 G N 1.306 110.102 108.800 -0.006 0.000 2.537 889 G HA2 0.513 4.478 3.960 0.008 0.000 0.297 889 G HA3 0.513 4.478 3.960 0.008 0.000 0.297 889 G C -0.700 174.195 174.900 -0.008 0.000 1.310 889 G CA -0.462 44.635 45.100 -0.006 0.000 1.027 889 G HN 0.174 nan 8.290 nan 0.000 0.505 890 L N 1.381 122.595 121.223 -0.014 0.000 2.515 890 L HA 0.324 4.669 4.340 0.008 0.000 0.281 890 L C 0.034 176.912 176.870 0.012 0.000 1.131 890 L CA -0.361 54.468 54.840 -0.018 0.000 0.905 890 L CB -0.178 41.853 42.059 -0.046 0.000 1.246 890 L HN 0.183 nan 8.230 nan 0.000 0.463 891 M N 6.520 126.143 119.600 0.038 0.000 2.264 891 M HA 0.594 5.079 4.480 0.008 0.000 0.352 891 M C -0.225 176.145 176.300 0.116 0.000 1.173 891 M CA -0.591 54.759 55.300 0.084 0.000 1.075 891 M CB 1.198 33.860 32.600 0.104 0.000 1.621 891 M HN 0.389 nan 8.290 nan 0.000 0.457 892 V N 1.257 121.195 119.914 0.041 0.000 3.087 892 V HA 0.819 4.944 4.120 0.008 0.000 0.306 892 V C -2.899 173.026 176.094 -0.282 0.000 1.187 892 V CA -1.817 60.356 62.300 -0.211 0.000 0.999 892 V CB 2.458 34.186 31.823 -0.158 0.000 1.049 892 V HN 0.713 nan 8.190 nan 0.000 0.431 893 P HA 0.197 nan 4.420 nan 0.000 0.274 893 P C 0.552 177.806 177.300 -0.075 0.000 1.246 893 P CA -0.110 62.807 63.100 -0.305 0.000 0.795 893 P CB 0.886 32.307 31.700 -0.464 0.000 1.006 894 F N 2.220 122.115 119.950 -0.092 0.000 2.065 894 F HA -0.269 4.263 4.527 0.008 0.000 0.298 894 F C 2.544 178.310 175.800 -0.057 0.000 1.112 894 F CA 2.916 60.884 58.000 -0.053 0.000 1.212 894 F CB -1.072 37.915 39.000 -0.022 0.000 0.975 894 F HN 0.364 nan 8.300 nan 0.000 0.476 895 S N -0.272 115.450 115.700 0.037 0.000 2.440 895 S HA -0.180 4.295 4.470 0.008 0.000 0.238 895 S C 1.570 176.088 174.600 -0.137 0.000 1.010 895 S CA 1.537 59.705 58.200 -0.052 0.000 0.972 895 S CB -0.857 62.362 63.200 0.032 0.000 0.774 895 S HN 0.477 nan 8.310 nan 0.000 0.501 896 L N 1.350 122.487 121.223 -0.144 0.000 2.910 896 L HA 0.329 4.674 4.340 0.008 0.000 0.252 896 L C 2.255 179.073 176.870 -0.088 0.000 1.195 896 L CA -0.233 54.541 54.840 -0.109 0.000 1.003 896 L CB -0.047 41.971 42.059 -0.069 0.000 1.328 896 L HN 0.383 nan 8.230 nan 0.000 0.540 897 R N 0.687 121.071 120.500 -0.193 0.000 2.193 897 R HA -0.085 4.260 4.340 0.008 0.000 0.229 897 R C 1.185 177.370 176.300 -0.191 0.000 1.110 897 R CA 1.207 57.197 56.100 -0.183 0.000 0.988 897 R CB -0.215 29.915 30.300 -0.282 0.000 0.871 897 R HN 0.406 nan 8.270 nan 0.000 0.458 898 L N -0.312 120.742 121.223 -0.283 0.000 2.693 898 L HA 0.161 4.506 4.340 0.008 0.000 0.235 898 L C 1.618 178.267 176.870 -0.368 0.000 1.127 898 L CA -0.456 54.072 54.840 -0.521 0.000 0.914 898 L CB -0.227 41.262 42.059 -0.950 0.000 1.193 898 L HN -0.013 nan 8.230 nan 0.000 0.502 899 F N 3.124 122.927 119.950 -0.245 0.000 2.065 899 F HA -0.101 4.431 4.527 0.008 0.000 0.298 899 F C -0.488 175.311 175.800 -0.001 0.000 1.112 899 F CA 1.274 59.224 58.000 -0.084 0.000 1.212 899 F CB -1.492 37.487 39.000 -0.034 0.000 0.975 899 F HN 0.063 nan 8.300 nan 0.000 0.476 900 P HA -0.134 nan 4.420 nan 0.000 0.219 900 P C 2.015 179.441 177.300 0.210 0.000 1.150 900 P CA 1.030 64.202 63.100 0.120 0.000 0.814 900 P CB -0.084 31.701 31.700 0.140 0.000 0.787 901 L N -1.162 120.135 121.223 0.123 0.000 2.005 901 L HA -0.075 4.270 4.340 0.008 0.000 0.207 901 L C 2.185 179.080 176.870 0.042 0.000 1.072 901 L CA 1.852 56.702 54.840 0.017 0.000 0.744 901 L CB -1.418 40.417 42.059 -0.374 0.000 0.895 901 L HN -0.087 nan 8.230 nan 0.000 0.433 902 F N -1.906 118.023 119.950 -0.035 0.000 2.293 902 F HA -0.188 4.344 4.527 0.008 0.000 0.300 902 F C 2.275 178.066 175.800 -0.016 0.000 1.086 902 F CA 0.543 58.513 58.000 -0.050 0.000 1.375 902 F CB -0.179 38.805 39.000 -0.026 0.000 1.045 902 F HN -0.041 nan 8.300 nan 0.000 0.516 903 V N -0.057 119.951 119.914 0.157 0.000 2.379 903 V HA -0.256 3.869 4.120 0.008 0.000 0.245 903 V C 2.177 178.194 176.094 -0.128 0.000 1.044 903 V CA 1.174 63.485 62.300 0.020 0.000 1.036 903 V CB -0.448 31.346 31.823 -0.048 0.000 0.664 903 V HN 0.232 nan 8.190 nan 0.000 0.453 904 L N 1.181 122.236 121.223 -0.280 0.000 2.012 904 L HA -0.130 4.215 4.340 0.008 0.000 0.210 904 L C 2.468 179.210 176.870 -0.212 0.000 1.073 904 L CA 2.483 56.989 54.840 -0.557 0.000 0.748 904 L CB -1.076 40.618 42.059 -0.609 0.000 0.891 904 L HN 0.235 nan 8.230 nan 0.000 0.431 905 A N -0.779 122.019 122.820 -0.036 0.000 1.883 905 A HA -0.226 4.099 4.320 0.008 0.000 0.217 905 A C 2.232 179.836 177.584 0.032 0.000 1.186 905 A CA 2.054 54.120 52.037 0.048 0.000 0.624 905 A CB -1.029 18.082 19.000 0.186 0.000 0.822 905 A HN 0.445 nan 8.150 nan 0.000 0.444 906 L N -0.435 120.813 121.223 0.042 0.000 2.083 906 L HA -0.081 4.264 4.340 0.008 0.000 0.209 906 L C 2.319 179.266 176.870 0.128 0.000 1.083 906 L CA 1.498 56.394 54.840 0.092 0.000 0.752 906 L CB -0.589 41.502 42.059 0.054 0.000 0.899 906 L HN 0.415 nan 8.230 nan 0.000 0.433 907 L N -1.348 119.867 121.223 -0.013 0.000 2.376 907 L HA -0.153 4.192 4.340 0.008 0.000 0.219 907 L C 1.996 178.879 176.870 0.021 0.000 1.133 907 L CA 0.853 55.684 54.840 -0.015 0.000 0.816 907 L CB -0.315 41.653 42.059 -0.151 0.000 0.933 907 L HN 0.211 nan 8.230 nan 0.000 0.449 908 K N -0.381 120.014 120.400 -0.008 0.000 2.367 908 K HA 0.030 4.355 4.320 0.008 0.000 0.194 908 K C 0.774 177.377 176.600 0.006 0.000 1.027 908 K CA -0.182 56.098 56.287 -0.012 0.000 1.075 908 K CB 0.342 32.814 32.500 -0.046 0.000 0.845 908 K HN 0.272 nan 8.250 nan 0.000 0.529 909 Q N 1.780 121.599 119.800 0.031 0.000 2.474 909 Q HA -0.054 4.291 4.340 0.008 0.000 0.256 909 Q C 0.690 176.671 176.000 -0.032 0.000 1.048 909 Q CA 0.429 56.232 55.803 -0.000 0.000 0.922 909 Q CB 0.842 29.588 28.738 0.013 0.000 1.288 909 Q HN -0.070 nan 8.270 nan 0.000 0.484 910 K N 1.078 121.443 120.400 -0.058 0.000 2.442 910 K HA -0.089 4.236 4.320 0.008 0.000 0.198 910 K C 1.432 177.944 176.600 -0.148 0.000 1.044 910 K CA 1.224 57.474 56.287 -0.062 0.000 0.948 910 K CB 0.202 32.687 32.500 -0.025 0.000 0.762 910 K HN 0.574 nan 8.250 nan 0.000 0.472 911 S N -0.311 115.219 115.700 -0.283 0.000 2.395 911 S HA 0.003 4.478 4.470 0.008 0.000 0.225 911 S C 1.006 175.156 174.600 -0.751 0.000 1.027 911 S CA 0.777 58.612 58.200 -0.609 0.000 0.965 911 S CB 0.007 62.645 63.200 -0.936 0.000 0.812 911 S HN 0.264 nan 8.310 nan 0.000 0.482 912 F N 1.377 121.305 119.950 -0.037 0.000 2.752 912 F HA 0.276 4.808 4.527 0.008 0.000 0.310 912 F C 0.974 176.758 175.800 -0.027 0.000 1.097 912 F CA -0.885 57.096 58.000 -0.032 0.000 1.238 912 F CB -0.500 38.477 39.000 -0.037 0.000 1.061 912 F HN 0.095 nan 8.300 nan 0.000 0.591 913 Q N 1.263 121.127 119.800 0.106 0.000 2.450 913 Q HA 0.084 4.429 4.340 0.008 0.000 0.294 913 Q C 0.644 176.675 176.000 0.052 0.000 1.129 913 Q CA 1.176 57.015 55.803 0.059 0.000 0.970 913 Q CB 0.520 29.273 28.738 0.025 0.000 1.294 913 Q HN 0.393 nan 8.270 nan 0.000 0.453 914 T N -2.209 112.370 114.554 0.042 0.000 3.393 914 T HA 0.203 4.558 4.350 0.008 0.000 0.231 914 T C 1.763 176.487 174.700 0.041 0.000 0.983 914 T CA 0.300 62.424 62.100 0.040 0.000 1.272 914 T CB -1.040 67.850 68.868 0.035 0.000 1.214 914 T HN 0.684 nan 8.240 nan 0.000 0.368 915 G N 2.191 111.016 108.800 0.042 0.000 2.568 915 G HA2 -0.017 3.948 3.960 0.008 0.000 0.220 915 G HA3 -0.017 3.948 3.960 0.008 0.000 0.220 915 G C 0.821 175.777 174.900 0.092 0.000 1.104 915 G CA 1.202 46.341 45.100 0.064 0.000 0.738 915 G HN 0.629 nan 8.290 nan 0.000 0.574 916 T N -0.122 114.470 114.554 0.064 0.000 2.680 916 T HA 0.056 4.411 4.350 0.008 0.000 0.314 916 T C 1.128 175.878 174.700 0.083 0.000 1.045 916 T CA 0.138 62.273 62.100 0.059 0.000 1.025 916 T CB 0.534 69.422 68.868 0.035 0.000 1.000 916 T HN 0.142 nan 8.240 nan 0.000 0.535 917 N N 0.093 118.831 118.700 0.063 0.000 2.279 917 N HA 0.301 5.046 4.740 0.008 0.000 0.226 917 N C -0.067 175.478 175.510 0.059 0.000 1.126 917 N CA -0.307 52.786 53.050 0.072 0.000 0.846 917 N CB -0.144 38.362 38.487 0.033 0.000 1.050 917 N HN 0.697 nan 8.380 nan 0.000 0.502 918 A N 0.601 123.453 122.820 0.052 0.000 2.498 918 A HA 0.209 4.534 4.320 0.008 0.000 0.239 918 A C 0.463 178.081 177.584 0.056 0.000 1.068 918 A CA 0.094 52.162 52.037 0.052 0.000 0.766 918 A CB 0.305 19.328 19.000 0.038 0.000 1.003 918 A HN 0.362 nan 8.150 nan 0.000 0.497 919 R N 1.520 122.064 120.500 0.074 0.000 2.532 919 R HA 0.351 4.696 4.340 0.008 0.000 0.272 919 R C 0.588 176.941 176.300 0.088 0.000 1.032 919 R CA -0.971 55.180 56.100 0.085 0.000 1.089 919 R CB 0.422 30.792 30.300 0.117 0.000 1.098 919 R HN 0.637 nan 8.270 nan 0.000 0.526 920 L N 1.558 122.838 121.223 0.096 0.000 1.951 920 L HA -0.318 4.027 4.340 0.008 0.000 0.222 920 L C 1.717 178.639 176.870 0.086 0.000 1.078 920 L CA 2.010 56.915 54.840 0.108 0.000 0.778 920 L CB -0.479 41.689 42.059 0.182 0.000 0.893 920 L HN 0.657 nan 8.230 nan 0.000 0.436 921 D N -0.690 119.772 120.400 0.104 0.000 2.158 921 D HA -0.206 4.439 4.640 0.008 0.000 0.197 921 D C 2.067 178.275 176.300 -0.155 0.000 0.995 921 D CA 1.453 55.391 54.000 -0.104 0.000 0.846 921 D CB -0.121 40.577 40.800 -0.170 0.000 0.941 921 D HN 0.549 nan 8.370 nan 0.000 0.456 922 E N 0.511 120.750 120.200 0.066 0.000 2.051 922 E HA -0.178 4.177 4.350 0.008 0.000 0.192 922 E C 2.222 178.863 176.600 0.068 0.000 0.991 922 E CA 0.571 57.076 56.400 0.175 0.000 0.799 922 E CB -0.071 29.750 29.700 0.202 0.000 0.748 922 E HN 0.189 nan 8.360 nan 0.000 0.449 923 R N 0.924 121.427 120.500 0.005 0.000 2.080 923 R HA -0.172 4.173 4.340 0.008 0.000 0.236 923 R C 2.344 178.566 176.300 -0.129 0.000 1.137 923 R CA 1.534 57.591 56.100 -0.072 0.000 0.943 923 R CB -0.167 30.098 30.300 -0.059 0.000 0.846 923 R HN 0.104 nan 8.270 nan 0.000 0.431 924 I N 0.739 121.247 120.570 -0.103 0.000 2.208 924 I HA -0.282 3.893 4.170 0.008 0.000 0.245 924 I C 2.353 178.369 176.117 -0.169 0.000 1.097 924 I CA 1.243 62.464 61.300 -0.132 0.000 1.363 924 I CB -1.346 36.590 38.000 -0.107 0.000 1.051 924 I HN 0.218 nan 8.210 nan 0.000 0.413 925 F N 2.214 121.990 119.950 -0.290 0.000 2.171 925 F HA -0.155 4.377 4.527 0.008 0.000 0.300 925 F C 2.461 178.129 175.800 -0.221 0.000 1.090 925 F CA 1.345 59.163 58.000 -0.302 0.000 1.293 925 F CB -0.417 38.367 39.000 -0.360 0.000 1.013 925 F HN 0.029 nan 8.300 nan 0.000 0.486 926 A N 0.663 123.242 122.820 -0.401 0.000 1.902 926 A HA -0.191 4.133 4.320 0.008 0.000 0.217 926 A C 2.296 179.603 177.584 -0.461 0.000 1.181 926 A CA 1.978 53.739 52.037 -0.461 0.000 0.623 926 A CB -0.783 18.050 19.000 -0.278 0.000 0.818 926 A HN 0.504 nan 8.150 nan 0.000 0.443 927 M N -1.220 118.146 119.600 -0.389 0.000 2.175 927 M HA -0.152 4.333 4.480 0.008 0.000 0.264 927 M C 2.317 178.430 176.300 -0.311 0.000 1.063 927 M CA 1.089 56.188 55.300 -0.336 0.000 1.119 927 M CB -0.706 31.734 32.600 -0.267 0.000 1.377 927 M HN 0.505 nan 8.290 nan 0.000 0.415 928 C N 0.491 119.577 119.300 -0.356 0.000 2.411 928 C HA -0.127 4.338 4.460 0.008 0.000 0.279 928 C C 2.900 177.648 174.990 -0.404 0.000 1.288 928 C CA 0.809 59.618 59.018 -0.348 0.000 1.764 928 C CB -0.881 26.663 27.740 -0.328 0.000 1.974 928 C HN 0.538 nan 8.230 nan 0.000 0.498 929 Q N -0.089 119.390 119.800 -0.535 0.000 2.123 929 Q HA -0.064 4.281 4.340 0.008 0.000 0.199 929 Q C 2.469 178.286 176.000 -0.304 0.000 0.966 929 Q CA 1.073 56.594 55.803 -0.469 0.000 0.845 929 Q CB -0.667 27.722 28.738 -0.581 0.000 0.907 929 Q HN 0.562 nan 8.270 nan 0.000 0.439 930 V N 1.646 121.398 119.914 -0.270 0.000 2.392 930 V HA -0.219 3.905 4.120 0.008 0.000 0.249 930 V C 2.248 178.248 176.094 -0.157 0.000 1.059 930 V CA 1.533 63.727 62.300 -0.176 0.000 1.051 930 V CB -0.308 31.438 31.823 -0.129 0.000 0.658 930 V HN 0.234 nan 8.190 nan 0.000 0.455 931 K N -0.508 119.783 120.400 -0.181 0.000 2.228 931 K HA -0.026 4.299 4.320 0.008 0.000 0.202 931 K C 1.743 178.218 176.600 -0.209 0.000 1.051 931 K CA 0.983 57.175 56.287 -0.158 0.000 0.960 931 K CB -0.267 32.133 32.500 -0.167 0.000 0.743 931 K HN 0.544 nan 8.250 nan 0.000 0.458 932 N N -0.103 118.442 118.700 -0.258 0.000 2.257 932 N HA 0.000 4.745 4.740 0.008 0.000 0.200 932 N C -0.334 175.002 175.510 -0.290 0.000 1.163 932 N CA -0.073 52.790 53.050 -0.311 0.000 0.891 932 N CB 0.830 39.136 38.487 -0.301 0.000 1.067 932 N HN 0.140 nan 8.380 nan 0.000 0.497 933 Q N 1.693 121.361 119.800 -0.220 0.000 2.293 933 Q HA 0.287 4.632 4.340 0.008 0.000 0.251 933 Q C -2.473 173.455 176.000 -0.119 0.000 0.930 933 Q CA -1.673 54.045 55.803 -0.141 0.000 0.893 933 Q CB 1.293 29.981 28.738 -0.083 0.000 1.215 933 Q HN 0.127 nan 8.270 nan 0.000 0.425 934 P HA -0.082 nan 4.420 nan 0.000 0.269 934 P C 0.814 178.048 177.300 -0.110 0.000 1.209 934 P CA 0.000 63.010 63.100 -0.150 0.000 0.776 934 P CB 0.614 32.168 31.700 -0.243 0.000 0.876 935 L N 3.369 124.523 121.223 -0.115 0.000 2.030 935 L HA -0.262 4.083 4.340 0.008 0.000 0.222 935 L C 2.053 178.811 176.870 -0.186 0.000 1.082 935 L CA 2.219 56.985 54.840 -0.124 0.000 0.785 935 L CB -0.730 41.275 42.059 -0.091 0.000 0.895 935 L HN 0.198 nan 8.230 nan 0.000 0.439 936 V N -0.754 118.990 119.914 -0.283 0.000 2.287 936 V HA -0.370 3.755 4.120 0.008 0.000 0.248 936 V C 2.186 178.027 176.094 -0.421 0.000 1.053 936 V CA 2.161 64.223 62.300 -0.396 0.000 1.027 936 V CB -0.535 30.960 31.823 -0.546 0.000 0.646 936 V HN 0.503 nan 8.190 nan 0.000 0.447 937 Y N -0.976 119.285 120.300 -0.065 0.000 2.293 937 Y HA -0.109 4.446 4.550 0.008 0.000 0.291 937 Y C 2.164 178.007 175.900 -0.095 0.000 1.137 937 Y CA 1.260 59.319 58.100 -0.068 0.000 1.202 937 Y CB -0.311 38.115 38.460 -0.057 0.000 0.990 937 Y HN 0.335 nan 8.280 nan 0.000 0.537 938 L N -0.331 120.873 121.223 -0.031 0.000 2.046 938 L HA -0.214 4.131 4.340 0.008 0.000 0.208 938 L C 1.986 178.796 176.870 -0.101 0.000 1.077 938 L CA 1.803 56.601 54.840 -0.070 0.000 0.747 938 L CB -0.587 41.417 42.059 -0.091 0.000 0.896 938 L HN 0.155 nan 8.230 nan 0.000 0.432 939 M N -1.227 118.282 119.600 -0.152 0.000 2.132 939 M HA -0.107 4.378 4.480 0.008 0.000 0.263 939 M C 2.191 178.406 176.300 -0.141 0.000 1.065 939 M CA 1.183 56.353 55.300 -0.215 0.000 1.122 939 M CB -1.211 31.213 32.600 -0.293 0.000 1.365 939 M HN 0.232 nan 8.290 nan 0.000 0.411 940 L N -0.198 120.971 121.223 -0.090 0.000 2.131 940 L HA -0.145 4.199 4.340 0.008 0.000 0.210 940 L C 2.248 179.104 176.870 -0.023 0.000 1.092 940 L CA 1.604 56.424 54.840 -0.034 0.000 0.759 940 L CB -1.634 40.434 42.059 0.015 0.000 0.903 940 L HN 0.321 nan 8.230 nan 0.000 0.435 941 T N -1.267 113.273 114.554 -0.023 0.000 2.809 941 T HA -0.103 4.252 4.350 0.008 0.000 0.260 941 T C 1.867 176.542 174.700 -0.042 0.000 1.039 941 T CA 1.644 63.727 62.100 -0.028 0.000 1.141 941 T CB -0.099 68.748 68.868 -0.035 0.000 0.869 941 T HN 0.278 nan 8.240 nan 0.000 0.437 942 T N 0.364 114.892 114.554 -0.043 0.000 2.777 942 T HA -0.103 4.252 4.350 0.008 0.000 0.266 942 T C 0.960 175.672 174.700 0.020 0.000 1.040 942 T CA 1.020 63.108 62.100 -0.020 0.000 1.141 942 T CB -0.158 68.695 68.868 -0.024 0.000 0.868 942 T HN 0.381 nan 8.240 nan 0.000 0.444 943 H N 1.340 120.337 119.070 -0.121 0.000 2.380 943 H HA 0.316 4.877 4.556 0.008 0.000 0.231 943 H C -3.073 172.192 175.328 -0.105 0.000 1.415 943 H CA -2.289 53.698 56.048 -0.101 0.000 1.433 943 H CB 0.670 30.380 29.762 -0.087 0.000 1.544 943 H HN 0.103 nan 8.280 nan 0.000 0.503 944 P HA -0.063 nan 4.420 nan 0.000 0.264 944 P C -0.238 176.941 177.300 -0.202 0.000 1.179 944 P CA 0.409 63.418 63.100 -0.152 0.000 0.763 944 P CB 0.684 32.292 31.700 -0.154 0.000 0.806 945 S N 2.359 117.996 115.700 -0.105 0.000 2.505 945 S HA 0.282 4.757 4.470 0.008 0.000 0.276 945 S C -0.060 174.353 174.600 -0.312 0.000 1.274 945 S CA -0.208 57.864 58.200 -0.214 0.000 1.053 945 S CB -0.168 62.961 63.200 -0.118 0.000 0.919 945 S HN 0.310 nan 8.310 nan 0.000 0.490 946 L N 5.305 126.274 121.223 -0.423 0.000 2.313 946 L HA 0.643 4.988 4.340 0.008 0.000 0.283 946 L C -1.656 175.065 176.870 -0.248 0.000 1.013 946 L CA -0.320 54.394 54.840 -0.209 0.000 0.816 946 L CB 0.449 42.419 42.059 -0.147 0.000 1.236 946 L HN 0.604 nan 8.230 nan 0.000 0.419 947 Y N 3.193 123.671 120.300 0.296 0.000 2.545 947 Y HA 0.592 5.147 4.550 0.008 0.000 0.348 947 Y C -0.168 175.890 175.900 0.262 0.000 1.002 947 Y CA -0.929 57.329 58.100 0.262 0.000 1.039 947 Y CB 1.543 40.168 38.460 0.275 0.000 1.271 947 Y HN 0.527 nan 8.280 nan 0.000 0.467 948 R N 1.071 121.718 120.500 0.245 0.000 2.357 948 R HA 0.533 4.878 4.340 0.008 0.000 0.296 948 R C -0.061 176.113 176.300 -0.210 0.000 1.052 948 R CA -0.233 55.708 56.100 -0.265 0.000 0.988 948 R CB 0.862 30.991 30.300 -0.284 0.000 1.025 948 R HN 0.754 nan 8.270 nan 0.000 0.469 949 V N 0.136 119.860 119.914 -0.317 0.000 3.382 949 V HA 0.151 4.276 4.120 0.008 0.000 0.296 949 V C 0.454 176.433 176.094 -0.192 0.000 1.529 949 V CA 0.230 62.426 62.300 -0.173 0.000 1.048 949 V CB 0.654 32.494 31.823 0.028 0.000 0.878 949 V HN 0.897 nan 8.190 nan 0.000 0.442 950 D N 1.650 121.799 120.400 -0.419 0.000 2.328 950 D HA -0.007 4.638 4.640 0.008 0.000 0.226 950 D C 0.510 176.703 176.300 -0.179 0.000 1.066 950 D CA 0.665 54.387 54.000 -0.464 0.000 0.861 950 D CB -0.078 40.208 40.800 -0.858 0.000 0.912 950 D HN 0.719 nan 8.370 nan 0.000 0.521 951 N N 0.742 119.348 118.700 -0.158 0.000 2.527 951 N HA 0.070 4.815 4.740 0.008 0.000 0.279 951 N C -0.253 175.197 175.510 -0.099 0.000 1.571 951 N CA -0.348 52.641 53.050 -0.102 0.000 0.858 951 N CB -0.591 37.829 38.487 -0.111 0.000 1.422 951 N HN 0.059 nan 8.380 nan 0.000 0.491 952 L N 1.034 122.192 121.223 -0.107 0.000 2.482 952 L HA 0.250 4.595 4.340 0.008 0.000 0.273 952 L C 1.310 178.122 176.870 -0.097 0.000 1.228 952 L CA 0.164 54.919 54.840 -0.141 0.000 0.827 952 L CB 0.527 42.478 42.059 -0.180 0.000 1.099 952 L HN 0.503 nan 8.230 nan 0.000 0.494 953 S N -0.888 114.749 115.700 -0.106 0.000 4.199 953 S HA 0.336 4.811 4.470 0.008 0.000 0.257 953 S C -0.066 174.488 174.600 -0.077 0.000 1.079 953 S CA -0.600 57.554 58.200 -0.075 0.000 1.498 953 S CB 1.008 64.171 63.200 -0.061 0.000 1.260 953 S HN 0.575 nan 8.310 nan 0.000 0.749 954 D N 0.604 120.966 120.400 -0.064 0.000 2.469 954 D HA 0.301 4.946 4.640 0.008 0.000 0.215 954 D C -0.162 176.100 176.300 -0.063 0.000 1.154 954 D CA 0.198 54.162 54.000 -0.061 0.000 0.832 954 D CB 0.385 41.159 40.800 -0.043 0.000 1.008 954 D HN 0.422 nan 8.370 nan 0.000 0.506 955 E N 0.632 120.791 120.200 -0.067 0.000 2.321 955 E HA 0.207 4.562 4.350 0.008 0.000 0.189 955 E C 1.018 177.571 176.600 -0.078 0.000 1.125 955 E CA -0.213 56.152 56.400 -0.058 0.000 1.005 955 E CB 0.121 29.794 29.700 -0.044 0.000 1.140 955 E HN 0.153 nan 8.360 nan 0.000 0.457 956 G N -0.119 108.618 108.800 -0.105 0.000 2.583 956 G HA2 0.435 4.400 3.960 0.008 0.000 0.280 956 G HA3 0.435 4.400 3.960 0.008 0.000 0.280 956 G C -0.010 174.800 174.900 -0.150 0.000 1.376 956 G CA -0.394 44.615 45.100 -0.152 0.000 1.043 956 G HN 0.193 nan 8.290 nan 0.000 0.538 957 A N 0.596 123.278 122.820 -0.230 0.000 2.916 957 A HA 0.290 4.615 4.320 0.008 0.000 0.254 957 A C 1.199 178.700 177.584 -0.139 0.000 1.544 957 A CA -0.371 51.549 52.037 -0.195 0.000 1.224 957 A CB -1.145 17.666 19.000 -0.315 0.000 1.012 957 A HN 0.831 nan 8.150 nan 0.000 0.636 958 L N -1.515 119.648 121.223 -0.099 0.000 2.974 958 L HA 0.137 4.482 4.340 0.008 0.000 0.250 958 L C 0.715 177.561 176.870 -0.040 0.000 1.376 958 L CA 0.562 55.363 54.840 -0.064 0.000 1.170 958 L CB -0.880 41.147 42.059 -0.052 0.000 1.577 958 L HN 0.662 nan 8.230 nan 0.000 0.429 959 N N 0.928 119.605 118.700 -0.037 0.000 2.463 959 N HA 0.006 4.751 4.740 0.008 0.000 0.183 959 N C 0.810 176.320 175.510 -0.000 0.000 1.064 959 N CA -0.280 52.762 53.050 -0.014 0.000 0.879 959 N CB 0.530 39.013 38.487 -0.008 0.000 1.148 959 N HN 0.373 nan 8.380 nan 0.000 0.451 960 I N 4.230 124.800 120.570 -0.000 0.000 2.856 960 I HA -0.079 4.096 4.170 0.008 0.000 0.312 960 I C 1.392 177.520 176.117 0.019 0.000 1.186 960 I CA 0.379 61.692 61.300 0.022 0.000 2.036 960 I CB -1.968 36.054 38.000 0.036 0.000 1.589 960 I HN 0.190 nan 8.210 nan 0.000 0.968 961 S N 5.214 120.924 115.700 0.018 0.000 4.068 961 S HA -0.377 4.098 4.470 0.008 0.000 0.537 961 S C 0.944 175.551 174.600 0.012 0.000 1.015 961 S CA 2.005 60.214 58.200 0.016 0.000 3.453 961 S CB -1.192 62.020 63.200 0.021 0.000 2.268 961 S HN 0.684 nan 8.310 nan 0.000 0.463 962 D N 1.942 122.352 120.400 0.016 0.000 2.368 962 D HA 0.382 5.027 4.640 0.008 0.000 0.218 962 D C 0.477 176.785 176.300 0.014 0.000 1.112 962 D CA -0.157 53.851 54.000 0.014 0.000 0.834 962 D CB -0.061 40.749 40.800 0.016 0.000 0.953 962 D HN 0.579 nan 8.370 nan 0.000 0.505 963 R N -0.791 119.717 120.500 0.013 0.000 2.670 963 R HA 0.543 4.888 4.340 0.008 0.000 0.289 963 R C 0.363 176.656 176.300 -0.012 0.000 0.965 963 R CA -0.424 55.682 56.100 0.011 0.000 0.899 963 R CB 1.883 32.201 30.300 0.030 0.000 1.173 963 R HN -0.152 nan 8.270 nan 0.000 0.456 964 T N 1.784 116.325 114.554 -0.022 0.000 2.914 964 T HA 0.267 4.621 4.350 0.008 0.000 0.240 964 T C 0.106 174.751 174.700 -0.091 0.000 1.025 964 T CA 0.304 62.375 62.100 -0.049 0.000 1.198 964 T CB -0.032 68.811 68.868 -0.041 0.000 0.892 964 T HN 0.601 nan 8.240 nan 0.000 0.417 965 I N 1.832 122.354 120.570 -0.079 0.000 6.568 965 I HA -0.103 4.072 4.170 0.008 0.000 0.126 965 I C -2.710 173.297 176.117 -0.184 0.000 1.827 965 I CA -0.868 60.353 61.300 -0.130 0.000 2.037 965 I CB -0.978 36.845 38.000 -0.295 0.000 3.509 965 I HN 0.241 nan 8.210 nan 0.000 0.169 966 P HA -0.000 nan 4.420 nan 0.000 0.268 966 P C -0.641 176.478 177.300 -0.302 0.000 1.208 966 P CA 0.357 63.323 63.100 -0.223 0.000 0.777 966 P CB 0.648 32.192 31.700 -0.260 0.000 0.875 967 Q N 1.623 121.267 119.800 -0.261 0.000 2.849 967 Q HA 0.294 4.639 4.340 0.008 0.000 0.289 967 Q C -1.971 173.945 176.000 -0.140 0.000 1.012 967 Q CA -1.544 54.146 55.803 -0.188 0.000 0.899 967 Q CB 0.563 29.226 28.738 -0.125 0.000 1.235 967 Q HN 0.460 nan 8.270 nan 0.000 0.457 968 P HA 0.151 nan 4.420 nan 0.000 0.269 968 P C -2.369 175.018 177.300 0.145 0.000 1.209 968 P CA -0.923 62.106 63.100 -0.118 0.000 0.776 968 P CB 0.278 31.815 31.700 -0.272 0.000 0.876 969 P HA 0.191 nan 4.420 nan 0.000 0.272 969 P C 0.097 177.514 177.300 0.194 0.000 1.223 969 P CA -0.002 63.194 63.100 0.160 0.000 0.784 969 P CB 0.783 32.538 31.700 0.091 0.000 0.923 970 I N 2.000 122.641 120.570 0.118 0.000 2.529 970 I HA 0.136 4.311 4.170 0.008 0.000 0.284 970 I C 0.685 176.782 176.117 -0.033 0.000 1.082 970 I CA -0.316 60.951 61.300 -0.055 0.000 1.406 970 I CB 0.229 38.208 38.000 -0.036 0.000 1.405 970 I HN 0.117 nan 8.210 nan 0.000 0.548 971 L N 5.973 127.145 121.223 -0.085 0.000 2.334 971 L HA 0.423 4.768 4.340 0.008 0.000 0.273 971 L C -0.186 176.630 176.870 -0.090 0.000 1.013 971 L CA -0.904 53.909 54.840 -0.045 0.000 0.816 971 L CB 1.383 43.443 42.059 0.002 0.000 1.278 971 L HN 0.545 nan 8.230 nan 0.000 0.431 972 Q N 1.882 121.634 119.800 -0.081 0.000 2.352 972 Q HA 0.237 4.582 4.340 0.008 0.000 0.260 972 Q C -0.265 175.635 176.000 -0.167 0.000 0.976 972 Q CA -0.283 55.462 55.803 -0.098 0.000 0.881 972 Q CB 1.156 29.834 28.738 -0.101 0.000 1.235 972 Q HN 0.471 nan 8.270 nan 0.000 0.419 973 L N 2.077 123.172 121.223 -0.214 0.000 2.869 973 L HA 0.043 4.388 4.340 0.008 0.000 0.240 973 L C 0.378 177.110 176.870 -0.231 0.000 1.448 973 L CA 0.025 54.694 54.840 -0.285 0.000 1.158 973 L CB -0.628 41.207 42.059 -0.374 0.000 1.497 973 L HN 0.376 nan 8.230 nan 0.000 0.447 974 S N -0.850 114.722 115.700 -0.214 0.000 2.513 974 S HA 0.306 4.781 4.470 0.008 0.000 0.299 974 S C 0.805 175.266 174.600 -0.232 0.000 1.087 974 S CA -0.677 57.413 58.200 -0.182 0.000 1.012 974 S CB 2.276 65.403 63.200 -0.122 0.000 1.044 974 S HN 0.039 nan 8.310 nan 0.000 0.485 975 V N 4.383 124.165 119.914 -0.220 0.000 3.186 975 V HA -0.051 4.074 4.120 0.008 0.000 0.270 975 V C 1.825 177.789 176.094 -0.217 0.000 1.149 975 V CA 1.754 63.900 62.300 -0.256 0.000 1.160 975 V CB -0.723 30.978 31.823 -0.203 0.000 0.758 975 V HN 0.872 nan 8.190 nan 0.000 0.516 976 E N -0.561 119.541 120.200 -0.163 0.000 2.427 976 E HA -0.079 4.276 4.350 0.008 0.000 0.196 976 E C 1.674 178.194 176.600 -0.133 0.000 1.028 976 E CA 0.303 56.630 56.400 -0.121 0.000 0.864 976 E CB 0.078 29.729 29.700 -0.082 0.000 0.813 976 E HN 0.450 nan 8.360 nan 0.000 0.514 977 K N 0.270 120.554 120.400 -0.193 0.000 2.393 977 K HA 0.141 4.466 4.320 0.008 0.000 0.193 977 K C 1.165 177.544 176.600 -0.368 0.000 1.026 977 K CA 0.136 56.307 56.287 -0.193 0.000 1.064 977 K CB 0.373 32.767 32.500 -0.176 0.000 0.833 977 K HN 0.131 nan 8.250 nan 0.000 0.521 978 L N 0.220 121.142 121.223 -0.503 0.000 2.506 978 L HA 0.149 4.494 4.340 0.008 0.000 0.199 978 L C 0.531 177.280 176.870 -0.202 0.000 1.178 978 L CA -0.264 54.102 54.840 -0.789 0.000 0.868 978 L CB 0.249 41.887 42.059 -0.701 0.000 1.451 978 L HN -0.024 nan 8.230 nan 0.000 0.526 979 S N -1.562 114.236 115.700 0.163 0.000 2.581 979 S HA 0.226 4.701 4.470 0.008 0.000 0.306 979 S C 0.047 174.913 174.600 0.443 0.000 1.080 979 S CA -0.760 57.639 58.200 0.331 0.000 0.925 979 S CB 0.941 64.377 63.200 0.394 0.000 1.128 979 S HN 0.564 nan 8.310 nan 0.000 0.451 980 R N 1.985 122.651 120.500 0.276 0.000 2.357 980 R HA 0.029 4.374 4.340 0.008 0.000 0.202 980 R C 0.038 176.359 176.300 0.035 0.000 1.047 980 R CA 1.023 57.229 56.100 0.177 0.000 1.034 980 R CB -0.131 30.226 30.300 0.095 0.000 0.875 980 R HN 0.570 nan 8.270 nan 0.000 0.473 981 D N -0.544 119.898 120.400 0.071 0.000 2.398 981 D HA 0.106 4.751 4.640 0.008 0.000 0.210 981 D C 0.876 177.151 176.300 -0.042 0.000 1.094 981 D CA 0.329 54.328 54.000 -0.001 0.000 0.839 981 D CB 0.893 41.701 40.800 0.013 0.000 0.963 981 D HN 0.244 nan 8.370 nan 0.000 0.506 982 G N 0.081 108.882 108.800 0.002 0.000 3.251 982 G HA2 0.686 4.651 3.960 0.008 0.000 0.248 982 G HA3 0.686 4.651 3.960 0.008 0.000 0.248 982 G C -1.427 173.283 174.900 -0.318 0.000 1.320 982 G CA -0.570 44.415 45.100 -0.192 0.000 0.982 982 G HN 0.123 nan 8.290 nan 0.000 0.575 983 A N -0.848 121.601 122.820 -0.618 0.000 2.408 983 A HA 0.757 5.082 4.320 0.008 0.000 0.295 983 A C -1.772 175.528 177.584 -0.474 0.000 1.040 983 A CA -0.524 51.213 52.037 -0.500 0.000 0.707 983 A CB 0.912 19.308 19.000 -1.006 0.000 1.235 983 A HN 0.470 nan 8.150 nan 0.000 0.418 984 F N 1.552 121.629 119.950 0.211 0.000 2.482 984 F HA 0.608 5.140 4.527 0.008 0.000 0.331 984 F C -0.057 175.933 175.800 0.316 0.000 1.115 984 F CA -0.595 57.587 58.000 0.303 0.000 0.955 984 F CB 2.124 41.384 39.000 0.434 0.000 1.136 984 F HN 0.578 nan 8.300 nan 0.000 0.452 985 L N 4.954 126.468 121.223 0.484 0.000 2.317 985 L HA 0.647 4.992 4.340 0.008 0.000 0.281 985 L C -0.963 176.234 176.870 0.546 0.000 1.024 985 L CA -0.579 54.535 54.840 0.457 0.000 0.810 985 L CB 1.360 43.665 42.059 0.410 0.000 1.240 985 L HN 0.781 nan 8.230 nan 0.000 0.427 986 M N 4.814 124.697 119.600 0.471 0.000 2.181 986 M HA 0.297 4.782 4.480 0.008 0.000 0.323 986 M C -1.431 175.003 176.300 0.224 0.000 1.004 986 M CA -0.624 54.870 55.300 0.323 0.000 0.941 986 M CB 1.220 33.989 32.600 0.282 0.000 1.579 986 M HN 0.552 nan 8.290 nan 0.000 0.427 987 D N 4.456 124.985 120.400 0.215 0.000 2.428 987 D HA 0.403 5.048 4.640 0.008 0.000 0.221 987 D C -0.251 176.090 176.300 0.069 0.000 1.123 987 D CA -0.072 54.022 54.000 0.156 0.000 0.869 987 D CB 1.303 42.252 40.800 0.248 0.000 1.032 987 D HN 0.667 nan 8.370 nan 0.000 0.506 988 A N 2.895 125.741 122.820 0.043 0.000 2.708 988 A HA 0.580 4.905 4.320 0.008 0.000 0.293 988 A C 1.579 179.184 177.584 0.035 0.000 1.303 988 A CA 0.319 52.367 52.037 0.019 0.000 0.949 988 A CB -0.418 18.587 19.000 0.008 0.000 1.121 988 A HN 0.823 nan 8.150 nan 0.000 0.542 989 G N 0.706 109.539 108.800 0.056 0.000 4.236 989 G HA2 -0.449 3.515 3.960 0.008 0.000 0.222 989 G HA3 -0.449 3.515 3.960 0.008 0.000 0.222 989 G C 1.845 176.768 174.900 0.039 0.000 1.354 989 G CA 1.441 46.602 45.100 0.101 0.000 0.966 989 G HN 1.570 nan 8.290 nan 0.000 0.624 990 S N 0.126 115.824 115.700 -0.004 0.000 2.446 990 S HA 0.476 4.951 4.470 0.008 0.000 0.225 990 S C 1.032 175.620 174.600 -0.020 0.000 1.016 990 S CA 1.702 59.860 58.200 -0.069 0.000 0.943 990 S CB -0.006 63.144 63.200 -0.083 0.000 0.786 990 S HN 2.257 nan 8.310 nan 0.000 0.508 991 V N -1.943 117.984 119.914 0.021 0.000 3.181 991 V HA 0.722 4.847 4.120 0.008 0.000 0.308 991 V C -1.540 174.568 176.094 0.024 0.000 1.214 991 V CA -1.446 60.887 62.300 0.054 0.000 1.053 991 V CB 1.834 33.740 31.823 0.137 0.000 1.069 991 V HN 0.276 nan 8.190 nan 0.000 0.441 992 L N 2.257 123.484 121.223 0.007 0.000 2.372 992 L HA 0.666 5.011 4.340 0.008 0.000 0.274 992 L C -0.749 176.071 176.870 -0.084 0.000 0.988 992 L CA -0.442 54.395 54.840 -0.004 0.000 0.833 992 L CB 1.886 43.940 42.059 -0.009 0.000 1.236 992 L HN 0.635 nan 8.230 nan 0.000 0.410 993 M N 4.750 124.308 119.600 -0.070 0.000 2.205 993 M HA 0.412 4.897 4.480 0.008 0.000 0.344 993 M C -0.873 175.425 176.300 -0.003 0.000 1.085 993 M CA -0.549 54.623 55.300 -0.213 0.000 1.001 993 M CB 2.115 34.630 32.600 -0.141 0.000 1.626 993 M HN 0.300 nan 8.290 nan 0.000 0.442 994 L N 4.469 125.655 121.223 -0.061 0.000 2.276 994 L HA 0.513 4.857 4.340 0.008 0.000 0.286 994 L C -1.752 175.086 176.870 -0.053 0.000 1.024 994 L CA -0.200 54.661 54.840 0.034 0.000 0.826 994 L CB 0.547 42.662 42.059 0.094 0.000 1.211 994 L HN 0.789 nan 8.230 nan 0.000 0.422 995 W N 6.594 127.669 121.300 -0.375 0.000 2.390 995 W HA 0.652 5.317 4.660 0.008 0.000 0.312 995 W C -1.191 175.268 176.519 -0.100 0.000 1.123 995 W CA -0.551 56.514 57.345 -0.467 0.000 1.202 995 W CB 1.256 30.022 29.460 -1.157 0.000 1.251 995 W HN 0.377 nan 8.180 nan 0.000 0.511 996 V N 6.760 126.208 119.914 -0.776 0.000 2.513 996 V HA 0.638 4.763 4.120 0.008 0.000 0.299 996 V C 0.783 176.176 176.094 -1.169 0.000 1.035 996 V CA -0.818 61.106 62.300 -0.626 0.000 0.889 996 V CB 1.053 32.811 31.823 -0.108 0.000 0.988 996 V HN 0.763 nan 8.190 nan 0.000 0.440 997 G N 1.804 110.039 108.800 -0.942 0.000 2.503 997 G HA2 0.269 4.234 3.960 0.008 0.000 0.257 997 G HA3 0.269 4.234 3.960 0.008 0.000 0.257 997 G C 0.653 175.186 174.900 -0.612 0.000 1.214 997 G CA -0.273 44.342 45.100 -0.808 0.000 0.839 997 G HN 0.841 nan 8.290 nan 0.000 0.559 998 K N 0.559 120.578 120.400 -0.635 0.000 2.063 998 K HA -0.154 4.171 4.320 0.008 0.000 0.208 998 K C 1.271 177.453 176.600 -0.696 0.000 1.048 998 K CA 1.480 57.154 56.287 -1.022 0.000 0.928 998 K CB 0.033 32.242 32.500 -0.486 0.000 0.713 998 K HN 0.462 nan 8.250 nan 0.000 0.442 999 N N 0.558 119.056 118.700 -0.338 0.000 2.558 999 N HA 0.026 4.771 4.740 0.008 0.000 0.281 999 N C -1.225 174.208 175.510 -0.130 0.000 1.219 999 N CA -0.340 52.597 53.050 -0.188 0.000 0.942 999 N CB -0.248 38.179 38.487 -0.101 0.000 1.241 999 N HN 0.184 nan 8.380 nan 0.000 0.511 1000 C N 0.729 119.937 119.300 -0.153 0.000 2.657 1000 C HA 0.347 4.812 4.460 0.008 0.000 0.404 1000 C C 1.381 176.369 174.990 -0.003 0.000 1.291 1000 C CA -0.349 58.624 59.018 -0.076 0.000 2.218 1000 C CB -0.493 27.227 27.740 -0.034 0.000 2.687 1000 C HN 0.671 nan 8.230 nan 0.000 0.634 1001 T N 3.308 117.869 114.554 0.012 0.000 2.903 1001 T HA 0.031 4.386 4.350 0.008 0.000 0.314 1001 T C 0.988 175.738 174.700 0.085 0.000 1.078 1001 T CA 0.199 62.324 62.100 0.041 0.000 1.114 1001 T CB 0.764 69.652 68.868 0.034 0.000 0.987 1001 T HN 0.820 nan 8.240 nan 0.000 0.548 1002 Q N 1.418 121.251 119.800 0.056 0.000 2.124 1002 Q HA -0.153 4.192 4.340 0.008 0.000 0.202 1002 Q C 2.157 178.190 176.000 0.056 0.000 0.977 1002 Q CA 1.842 57.676 55.803 0.051 0.000 0.850 1002 Q CB -0.457 28.299 28.738 0.029 0.000 0.901 1002 Q HN 0.904 nan 8.270 nan 0.000 0.429 1003 N N -0.069 118.669 118.700 0.063 0.000 2.104 1003 N HA -0.186 4.559 4.740 0.008 0.000 0.190 1003 N C 1.404 176.965 175.510 0.084 0.000 1.024 1003 N CA 1.222 54.308 53.050 0.060 0.000 0.853 1003 N CB -0.300 38.224 38.487 0.062 0.000 1.008 1003 N HN 0.160 nan 8.380 nan 0.000 0.424 1004 F N 0.441 120.377 119.950 -0.022 0.000 2.259 1004 F HA 0.137 4.668 4.527 0.008 0.000 0.298 1004 F C 1.755 177.543 175.800 -0.020 0.000 1.088 1004 F CA 0.719 58.703 58.000 -0.026 0.000 1.358 1004 F CB -0.096 38.881 39.000 -0.038 0.000 1.040 1004 F HN 0.052 nan 8.300 nan 0.000 0.505 1005 L N -0.467 120.783 121.223 0.046 0.000 2.005 1005 L HA -0.216 4.129 4.340 0.008 0.000 0.207 1005 L C 2.740 179.549 176.870 -0.101 0.000 1.072 1005 L CA 1.789 56.611 54.840 -0.029 0.000 0.744 1005 L CB -0.930 41.157 42.059 0.047 0.000 0.895 1005 L HN 0.292 nan 8.230 nan 0.000 0.433 1006 S N -1.759 113.903 115.700 -0.063 0.000 2.421 1006 S HA -0.076 4.399 4.470 0.008 0.000 0.224 1006 S C 1.864 176.412 174.600 -0.087 0.000 1.035 1006 S CA 0.078 58.239 58.200 -0.066 0.000 0.953 1006 S CB -0.032 63.148 63.200 -0.033 0.000 0.810 1006 S HN 0.313 nan 8.310 nan 0.000 0.497 1007 Q N 0.556 120.302 119.800 -0.090 0.000 2.389 1007 Q HA 0.281 4.626 4.340 0.008 0.000 0.204 1007 Q C 1.962 177.872 176.000 -0.150 0.000 0.944 1007 Q CA 0.670 56.420 55.803 -0.087 0.000 0.908 1007 Q CB 0.045 28.758 28.738 -0.043 0.000 1.002 1007 Q HN 0.574 nan 8.270 nan 0.000 0.493 1008 V N -0.606 119.133 119.914 -0.291 0.000 2.948 1008 V HA 0.036 4.161 4.120 0.008 0.000 0.234 1008 V C 1.942 177.797 176.094 -0.398 0.000 1.205 1008 V CA 0.338 62.387 62.300 -0.420 0.000 1.234 1008 V CB -0.015 31.293 31.823 -0.858 0.000 1.020 1008 V HN 0.114 nan 8.190 nan 0.000 0.491 1009 L N 0.743 121.693 121.223 -0.455 0.000 2.270 1009 L HA 0.285 4.630 4.340 0.008 0.000 0.210 1009 L C 1.776 178.548 176.870 -0.164 0.000 1.104 1009 L CA 1.218 55.886 54.840 -0.285 0.000 0.804 1009 L CB -0.448 41.458 42.059 -0.256 0.000 0.937 1009 L HN 0.631 nan 8.230 nan 0.000 0.450 1010 G N 0.408 109.121 108.800 -0.145 0.000 2.136 1010 G HA2 -0.220 3.745 3.960 0.008 0.000 0.242 1010 G HA3 -0.220 3.745 3.960 0.008 0.000 0.242 1010 G C -0.012 174.845 174.900 -0.072 0.000 0.989 1010 G CA 0.131 45.175 45.100 -0.092 0.000 0.682 1010 G HN 0.130 nan 8.290 nan 0.000 0.522 1011 V N 0.022 119.890 119.914 -0.076 0.000 3.019 1011 V HA 0.554 4.679 4.120 0.008 0.000 0.317 1011 V C 0.934 177.007 176.094 -0.035 0.000 1.094 1011 V CA -0.668 61.599 62.300 -0.054 0.000 1.000 1011 V CB 1.823 33.609 31.823 -0.062 0.000 1.060 1011 V HN 0.126 nan 8.190 nan 0.000 0.443 1012 Q N 1.388 121.176 119.800 -0.021 0.000 2.376 1012 Q HA 0.163 4.508 4.340 0.008 0.000 0.206 1012 Q C -0.061 175.947 176.000 0.012 0.000 0.921 1012 Q CA 0.424 56.223 55.803 -0.006 0.000 0.911 1012 Q CB 0.172 28.906 28.738 -0.007 0.000 1.032 1012 Q HN 0.972 nan 8.270 nan 0.000 0.510 1013 N N -2.935 115.775 118.700 0.018 0.000 2.484 1013 N HA 0.034 4.779 4.740 0.008 0.000 0.269 1013 N C -0.187 175.367 175.510 0.074 0.000 1.237 1013 N CA -0.682 52.400 53.050 0.054 0.000 0.838 1013 N CB -0.003 38.514 38.487 0.049 0.000 1.593 1013 N HN -0.221 nan 8.380 nan 0.000 0.485 1014 Y N 1.281 121.569 120.300 -0.019 0.000 2.139 1014 Y HA -0.261 4.294 4.550 0.008 0.000 0.282 1014 Y C 2.306 178.189 175.900 -0.027 0.000 1.179 1014 Y CA 2.947 61.031 58.100 -0.028 0.000 1.161 1014 Y CB -0.632 37.807 38.460 -0.035 0.000 0.970 1014 Y HN 0.800 nan 8.280 nan 0.000 0.511 1015 A N -0.639 122.225 122.820 0.072 0.000 1.948 1015 A HA -0.248 4.077 4.320 0.008 0.000 0.220 1015 A C 2.197 179.732 177.584 -0.081 0.000 1.177 1015 A CA 2.326 54.359 52.037 -0.006 0.000 0.636 1015 A CB -1.176 17.846 19.000 0.038 0.000 0.815 1015 A HN 0.571 nan 8.150 nan 0.000 0.449 1016 S N -0.844 114.813 115.700 -0.071 0.000 2.634 1016 S HA 0.342 4.817 4.470 0.008 0.000 0.221 1016 S C 0.346 174.882 174.600 -0.106 0.000 0.952 1016 S CA -0.440 57.715 58.200 -0.076 0.000 0.930 1016 S CB -0.496 62.677 63.200 -0.046 0.000 0.780 1016 S HN 0.403 nan 8.310 nan 0.000 0.498 1017 I N 4.839 125.306 120.570 -0.173 0.000 2.576 1017 I HA 0.119 4.293 4.170 0.008 0.000 0.288 1017 I C -1.878 174.151 176.117 -0.147 0.000 1.126 1017 I CA -1.820 59.373 61.300 -0.178 0.000 1.362 1017 I CB -0.005 37.825 38.000 -0.284 0.000 1.419 1017 I HN 0.070 nan 8.210 nan 0.000 0.533 1018 P HA -0.157 nan 4.420 nan 0.000 0.261 1018 P C 0.353 177.612 177.300 -0.069 0.000 1.158 1018 P CA 0.431 63.488 63.100 -0.072 0.000 0.758 1018 P CB 0.801 32.469 31.700 -0.053 0.000 0.763 1019 Q N 4.967 124.729 119.800 -0.063 0.000 1.703 1019 Q HA -0.144 4.201 4.340 0.008 0.000 0.380 1019 Q C -1.300 174.679 176.000 -0.036 0.000 1.022 1019 Q CA 1.509 57.281 55.803 -0.052 0.000 0.888 1019 Q CB -1.449 27.262 28.738 -0.046 0.000 0.960 1019 Q HN 0.431 nan 8.270 nan 0.000 0.404 1020 P HA 0.096 nan 4.420 nan 0.000 0.282 1020 P C -1.208 176.080 177.300 -0.020 0.000 1.274 1020 P CA 0.744 63.821 63.100 -0.039 0.000 0.770 1020 P CB 0.553 32.212 31.700 -0.068 0.000 0.867 1021 M N 3.254 122.865 119.600 0.017 0.000 2.036 1021 M HA 0.171 4.656 4.480 0.008 0.000 0.337 1021 M C 1.075 177.421 176.300 0.076 0.000 1.012 1021 M CA -0.217 55.101 55.300 0.031 0.000 0.962 1021 M CB 1.038 33.654 32.600 0.027 0.000 1.423 1021 M HN 0.191 nan 8.290 nan 0.000 0.405 1022 T N 2.609 117.193 114.554 0.050 0.000 3.051 1022 T HA 0.013 4.368 4.350 0.008 0.000 0.269 1022 T C 0.073 174.844 174.700 0.119 0.000 1.127 1022 T CA 1.145 63.292 62.100 0.079 0.000 1.107 1022 T CB -0.069 68.822 68.868 0.040 0.000 0.898 1022 T HN 0.808 nan 8.240 nan 0.000 0.517 1023 D N -1.284 119.174 120.400 0.096 0.000 2.913 1023 D HA 0.164 4.809 4.640 0.008 0.000 0.293 1023 D C -1.427 174.908 176.300 0.059 0.000 1.238 1023 D CA -0.580 53.480 54.000 0.099 0.000 0.738 1023 D CB 0.570 41.439 40.800 0.115 0.000 1.254 1023 D HN 0.069 nan 8.370 nan 0.000 0.429 1024 L N 1.948 123.203 121.223 0.053 0.000 2.375 1024 L HA 0.432 4.777 4.340 0.008 0.000 0.271 1024 L C -1.640 175.235 176.870 0.008 0.000 1.107 1024 L CA -1.190 53.660 54.840 0.016 0.000 0.806 1024 L CB 1.032 43.099 42.059 0.013 0.000 1.146 1024 L HN 0.244 nan 8.230 nan 0.000 0.447 1025 P HA 0.184 nan 4.420 nan 0.000 0.279 1025 P C -1.278 176.012 177.300 -0.016 0.000 1.252 1025 P CA -0.605 62.484 63.100 -0.018 0.000 0.811 1025 P CB 0.974 32.652 31.700 -0.037 0.000 1.035 1026 E N 1.494 121.691 120.200 -0.005 0.000 2.028 1026 E HA 0.308 4.663 4.350 0.008 0.000 0.266 1026 E C -0.331 176.262 176.600 -0.011 0.000 0.962 1026 E CA -0.402 55.998 56.400 -0.001 0.000 0.784 1026 E CB 0.464 30.172 29.700 0.014 0.000 1.114 1026 E HN 0.358 nan 8.360 nan 0.000 0.414 1027 L N 1.591 122.800 121.223 -0.023 0.000 2.399 1027 L HA 0.262 4.607 4.340 0.008 0.000 0.265 1027 L C 0.750 177.610 176.870 -0.017 0.000 1.089 1027 L CA -0.718 54.106 54.840 -0.026 0.000 0.802 1027 L CB 0.775 42.807 42.059 -0.044 0.000 1.180 1027 L HN 0.411 nan 8.230 nan 0.000 0.454 1028 D N 2.185 122.576 120.400 -0.015 0.000 2.551 1028 D HA 0.090 4.735 4.640 0.008 0.000 0.223 1028 D C -0.730 175.562 176.300 -0.012 0.000 1.144 1028 D CA 0.075 54.069 54.000 -0.010 0.000 1.025 1028 D CB 0.082 40.877 40.800 -0.008 0.000 1.085 1028 D HN 0.662 nan 8.370 nan 0.000 0.506 1029 T N -0.194 114.352 114.554 -0.013 0.000 2.956 1029 T HA 0.379 4.734 4.350 0.008 0.000 0.312 1029 T C -2.072 172.623 174.700 -0.007 0.000 1.151 1029 T CA -1.265 60.827 62.100 -0.013 0.000 1.024 1029 T CB 2.295 71.149 68.868 -0.024 0.000 1.140 1029 T HN -0.146 nan 8.240 nan 0.000 0.473 1030 P HA -0.103 nan 4.420 nan 0.000 0.216 1030 P C 0.948 178.250 177.300 0.004 0.000 1.150 1030 P CA 1.289 64.389 63.100 0.000 0.000 0.837 1030 P CB 0.301 32.000 31.700 -0.001 0.000 0.786 1031 E N 0.111 120.313 120.200 0.005 0.000 2.058 1031 E HA -0.134 4.221 4.350 0.008 0.000 0.194 1031 E C 2.439 179.047 176.600 0.014 0.000 0.997 1031 E CA 1.523 57.933 56.400 0.018 0.000 0.801 1031 E CB -1.078 28.637 29.700 0.024 0.000 0.746 1031 E HN 0.167 nan 8.360 nan 0.000 0.450 1032 S N -0.329 115.365 115.700 -0.010 0.000 2.356 1032 S HA -0.180 4.295 4.470 0.008 0.000 0.223 1032 S C 2.051 176.660 174.600 0.016 0.000 1.032 1032 S CA 1.223 59.416 58.200 -0.013 0.000 1.005 1032 S CB -0.369 62.814 63.200 -0.029 0.000 0.867 1032 S HN 0.357 nan 8.310 nan 0.000 0.449 1033 A N 1.662 124.491 122.820 0.015 0.000 1.940 1033 A HA -0.099 4.226 4.320 0.008 0.000 0.219 1033 A C 2.262 179.868 177.584 0.036 0.000 1.176 1033 A CA 1.344 53.395 52.037 0.025 0.000 0.631 1033 A CB -0.560 18.449 19.000 0.016 0.000 0.814 1033 A HN 0.552 nan 8.150 nan 0.000 0.446 1034 R N -1.304 119.214 120.500 0.030 0.000 2.066 1034 R HA -0.080 4.265 4.340 0.008 0.000 0.232 1034 R C 2.105 178.448 176.300 0.073 0.000 1.131 1034 R CA 1.545 57.664 56.100 0.031 0.000 0.955 1034 R CB -0.512 29.792 30.300 0.007 0.000 0.851 1034 R HN 0.579 nan 8.270 nan 0.000 0.432 1035 I N 1.047 121.670 120.570 0.087 0.000 2.252 1035 I HA -0.219 3.956 4.170 0.008 0.000 0.245 1035 I C 1.888 178.099 176.117 0.156 0.000 1.102 1035 I CA 1.291 62.678 61.300 0.144 0.000 1.385 1035 I CB -0.049 38.038 38.000 0.144 0.000 1.064 1035 I HN 0.041 nan 8.210 nan 0.000 0.414 1036 I N 1.134 121.764 120.570 0.101 0.000 2.286 1036 I HA -0.238 3.937 4.170 0.008 0.000 0.248 1036 I C 2.673 178.854 176.117 0.107 0.000 1.115 1036 I CA 1.495 62.849 61.300 0.089 0.000 1.392 1036 I CB -2.073 35.964 38.000 0.063 0.000 1.065 1036 I HN 0.319 nan 8.210 nan 0.000 0.418 1037 A N 0.821 123.710 122.820 0.115 0.000 1.858 1037 A HA -0.261 4.064 4.320 0.008 0.000 0.216 1037 A C 2.292 179.996 177.584 0.200 0.000 1.190 1037 A CA 1.450 53.563 52.037 0.126 0.000 0.617 1037 A CB -1.098 17.955 19.000 0.088 0.000 0.827 1037 A HN 0.348 nan 8.150 nan 0.000 0.443 1038 F N 0.676 120.649 119.950 0.038 0.000 2.095 1038 F HA -0.159 4.373 4.527 0.008 0.000 0.298 1038 F C 2.008 177.880 175.800 0.120 0.000 1.104 1038 F CA 1.535 59.569 58.000 0.057 0.000 1.232 1038 F CB -0.413 38.575 39.000 -0.021 0.000 0.987 1038 F HN 0.186 nan 8.300 nan 0.000 0.475 1039 I N -0.091 120.488 120.570 0.016 0.000 2.179 1039 I HA -0.349 3.826 4.170 0.008 0.000 0.242 1039 I C 2.747 178.806 176.117 -0.096 0.000 1.088 1039 I CA 1.681 62.910 61.300 -0.118 0.000 1.357 1039 I CB -0.748 37.247 38.000 -0.009 0.000 1.051 1039 I HN 0.323 nan 8.210 nan 0.000 0.409 1040 S N 0.097 115.805 115.700 0.013 0.000 2.399 1040 S HA -0.268 4.207 4.470 0.008 0.000 0.231 1040 S C 1.848 176.481 174.600 0.056 0.000 1.022 1040 S CA 0.853 59.071 58.200 0.030 0.000 0.983 1040 S CB -0.844 62.405 63.200 0.083 0.000 0.803 1040 S HN 0.634 nan 8.310 nan 0.000 0.480 1041 W N 2.099 123.340 121.300 -0.098 0.000 2.379 1041 W HA 0.094 4.759 4.660 0.008 0.000 0.307 1041 W C 1.847 178.282 176.519 -0.141 0.000 1.200 1041 W CA 1.166 58.459 57.345 -0.086 0.000 1.297 1041 W CB -0.578 28.850 29.460 -0.053 0.000 1.140 1041 W HN 0.272 nan 8.180 nan 0.000 0.507 1042 L N 0.615 121.677 121.223 -0.269 0.000 2.013 1042 L HA -0.291 4.054 4.340 0.008 0.000 0.212 1042 L C 2.735 179.387 176.870 -0.363 0.000 1.073 1042 L CA 2.015 56.572 54.840 -0.472 0.000 0.753 1042 L CB -0.954 40.844 42.059 -0.435 0.000 0.890 1042 L HN -0.031 nan 8.230 nan 0.000 0.432 1043 R N -0.116 120.222 120.500 -0.270 0.000 2.120 1043 R HA -0.173 4.172 4.340 0.008 0.000 0.234 1043 R C 2.054 178.260 176.300 -0.157 0.000 1.123 1043 R CA 1.271 57.230 56.100 -0.236 0.000 0.975 1043 R CB -0.265 29.855 30.300 -0.300 0.000 0.866 1043 R HN 0.467 nan 8.270 nan 0.000 0.446 1044 E N 0.360 120.462 120.200 -0.163 0.000 2.338 1044 E HA -0.118 4.237 4.350 0.008 0.000 0.197 1044 E C 1.173 177.675 176.600 -0.165 0.000 1.007 1044 E CA 0.497 56.829 56.400 -0.113 0.000 0.849 1044 E CB 0.235 29.889 29.700 -0.077 0.000 0.774 1044 E HN 0.225 nan 8.360 nan 0.000 0.506 1045 Q N 0.792 120.422 119.800 -0.284 0.000 2.329 1045 Q HA 0.044 4.389 4.340 0.008 0.000 0.208 1045 Q C 0.170 176.121 176.000 -0.081 0.000 0.934 1045 Q CA 0.393 56.040 55.803 -0.260 0.000 0.951 1045 Q CB -0.180 28.295 28.738 -0.439 0.000 1.017 1045 Q HN 0.304 nan 8.270 nan 0.000 0.490 1046 R N -1.298 119.192 120.500 -0.016 0.000 2.690 1046 R HA 0.380 4.725 4.340 0.008 0.000 0.269 1046 R C -2.788 173.565 176.300 0.088 0.000 1.037 1046 R CA -1.204 54.956 56.100 0.100 0.000 0.877 1046 R CB 0.537 30.943 30.300 0.177 0.000 1.255 1046 R HN -0.272 nan 8.270 nan 0.000 0.467 1047 P HA 0.194 nan 4.420 nan 0.000 0.274 1047 P C -0.548 176.840 177.300 0.146 0.000 1.352 1047 P CA 0.147 63.298 63.100 0.086 0.000 0.947 1047 P CB 0.268 31.980 31.700 0.020 0.000 1.437 1048 F N 0.824 120.805 119.950 0.052 0.000 2.366 1048 F HA 0.315 4.847 4.527 0.008 0.000 0.328 1048 F C 0.194 176.074 175.800 0.134 0.000 1.180 1048 F CA -1.721 56.329 58.000 0.082 0.000 1.232 1048 F CB 0.132 39.122 39.000 -0.016 0.000 1.513 1048 F HN -0.266 nan 8.300 nan 0.000 0.540 1049 F N 6.301 126.402 119.950 0.252 0.000 2.157 1049 F HA -0.121 4.410 4.527 0.008 0.000 0.430 1049 F C -1.876 173.985 175.800 0.102 0.000 0.907 1049 F CA -1.213 56.873 58.000 0.144 0.000 0.996 1049 F CB 0.113 39.191 39.000 0.130 0.000 0.797 1049 F HN 0.150 nan 8.300 nan 0.000 0.500 1050 P HA 0.195 nan 4.420 nan 0.000 0.287 1050 P C -0.161 177.069 177.300 -0.117 0.000 1.281 1050 P CA -0.310 62.724 63.100 -0.111 0.000 0.781 1050 P CB 0.926 32.545 31.700 -0.135 0.000 0.903 1051 I N 1.889 122.554 120.570 0.159 0.000 2.882 1051 I HA 0.420 4.595 4.170 0.008 0.000 0.286 1051 I C -0.244 175.971 176.117 0.165 0.000 1.139 1051 I CA -0.620 60.837 61.300 0.263 0.000 1.379 1051 I CB 0.392 38.564 38.000 0.288 0.000 1.410 1051 I HN 0.223 nan 8.210 nan 0.000 0.594 1052 L N 5.428 126.766 121.223 0.192 0.000 2.354 1052 L HA 0.678 5.023 4.340 0.008 0.000 0.264 1052 L C -1.482 175.547 176.870 0.264 0.000 1.008 1052 L CA -0.615 54.311 54.840 0.145 0.000 0.819 1052 L CB 2.048 44.155 42.059 0.080 0.000 1.339 1052 L HN 0.751 nan 8.230 nan 0.000 0.420 1053 Y N 1.909 122.256 120.300 0.078 0.000 2.390 1053 Y HA 0.510 5.065 4.550 0.008 0.000 0.324 1053 Y C -0.709 175.227 175.900 0.060 0.000 1.151 1053 Y CA -1.088 57.049 58.100 0.062 0.000 1.053 1053 Y CB 0.519 39.014 38.460 0.058 0.000 1.277 1053 Y HN 0.235 nan 8.280 nan 0.000 0.432 1054 V N 4.342 124.362 119.914 0.178 0.000 2.951 1054 V HA -0.167 3.958 4.120 0.008 0.000 0.255 1054 V C 2.207 178.367 176.094 0.110 0.000 1.088 1054 V CA 1.488 63.837 62.300 0.082 0.000 1.109 1054 V CB -0.695 31.158 31.823 0.050 0.000 0.724 1054 V HN 0.996 nan 8.190 nan 0.000 0.471 1055 I N 1.479 122.190 120.570 0.235 0.000 2.343 1055 I HA -0.355 3.820 4.170 0.008 0.000 0.256 1055 I C 1.672 177.893 176.117 0.174 0.000 1.035 1055 I CA 1.418 62.847 61.300 0.213 0.000 1.358 1055 I CB -0.675 37.501 38.000 0.294 0.000 1.036 1055 I HN 0.343 nan 8.210 nan 0.000 0.447 1056 A N 1.730 124.658 122.820 0.180 0.000 2.752 1056 A HA 0.032 4.357 4.320 0.008 0.000 0.292 1056 A C 0.197 177.814 177.584 0.055 0.000 1.597 1056 A CA 0.339 52.467 52.037 0.152 0.000 1.241 1056 A CB -0.548 18.483 19.000 0.052 0.000 1.061 1056 A HN 0.219 nan 8.150 nan 0.000 0.576 1057 D N 0.297 120.735 120.400 0.062 0.000 2.549 1057 D HA 0.288 4.933 4.640 0.008 0.000 0.270 1057 D C 0.846 177.242 176.300 0.161 0.000 1.181 1057 D CA -0.404 53.588 54.000 -0.012 0.000 1.070 1057 D CB 1.004 41.753 40.800 -0.086 0.000 1.154 1057 D HN 0.408 nan 8.370 nan 0.000 0.602 1058 E N -0.851 119.508 120.200 0.266 0.000 2.476 1058 E HA 0.041 4.396 4.350 0.008 0.000 0.191 1058 E C -0.100 176.645 176.600 0.242 0.000 1.064 1058 E CA 0.191 56.787 56.400 0.327 0.000 0.866 1058 E CB -0.145 29.719 29.700 0.272 0.000 0.952 1058 E HN 0.273 nan 8.360 nan 0.000 0.492 1059 S N -1.932 113.877 115.700 0.182 0.000 2.885 1059 S HA 0.198 4.673 4.470 0.008 0.000 0.238 1059 S C -1.955 172.694 174.600 0.081 0.000 0.766 1059 S CA -0.583 57.692 58.200 0.125 0.000 1.089 1059 S CB 0.216 63.485 63.200 0.116 0.000 1.396 1059 S HN 0.094 nan 8.310 nan 0.000 0.509 1060 P HA 0.320 nan 4.420 nan 0.000 0.255 1060 P C 0.557 177.891 177.300 0.057 0.000 1.248 1060 P CA 0.093 63.225 63.100 0.053 0.000 0.807 1060 P CB -0.378 31.359 31.700 0.061 0.000 1.150 1061 M N -0.979 118.665 119.600 0.073 0.000 2.612 1061 M HA -0.223 4.262 4.480 0.008 0.000 0.194 1061 M C -0.001 176.341 176.300 0.069 0.000 0.530 1061 M CA 1.262 56.599 55.300 0.061 0.000 0.548 1061 M CB -1.991 30.629 32.600 0.033 0.000 2.013 1061 M HN 0.054 nan 8.290 nan 0.000 0.711 1062 K N -1.087 119.377 120.400 0.106 0.000 2.562 1062 K HA 0.435 4.760 4.320 0.008 0.000 0.201 1062 K C 0.840 177.563 176.600 0.206 0.000 1.131 1062 K CA 0.422 56.790 56.287 0.134 0.000 1.059 1062 K CB 0.883 33.455 32.500 0.120 0.000 0.913 1062 K HN 0.331 nan 8.250 nan 0.000 0.563 1063 A N 2.346 125.284 122.820 0.197 0.000 2.358 1063 A HA -0.063 4.262 4.320 0.008 0.000 0.232 1063 A C 0.533 178.255 177.584 0.229 0.000 1.498 1063 A CA 0.185 52.371 52.037 0.249 0.000 1.400 1063 A CB -1.304 17.841 19.000 0.243 0.000 0.852 1063 A HN 0.491 nan 8.150 nan 0.000 0.605 1064 N N -1.250 117.583 118.700 0.222 0.000 2.542 1064 N HA 0.054 4.799 4.740 0.008 0.000 0.234 1064 N C 0.321 175.949 175.510 0.196 0.000 1.257 1064 N CA -0.054 53.099 53.050 0.171 0.000 0.883 1064 N CB -0.519 38.059 38.487 0.150 0.000 1.197 1064 N HN 0.433 nan 8.380 nan 0.000 0.488 1065 F N 0.153 120.122 119.950 0.032 0.000 2.446 1065 F HA 0.343 4.875 4.527 0.008 0.000 0.292 1065 F C 1.405 177.153 175.800 -0.087 0.000 1.096 1065 F CA 0.268 58.256 58.000 -0.020 0.000 1.438 1065 F CB 0.184 39.188 39.000 0.007 0.000 1.107 1065 F HN 0.090 nan 8.300 nan 0.000 0.546 1066 L N 0.067 121.285 121.223 -0.009 0.000 2.141 1066 L HA -0.159 4.186 4.340 0.008 0.000 0.209 1066 L C 2.222 179.006 176.870 -0.144 0.000 1.094 1066 L CA 1.041 55.798 54.840 -0.139 0.000 0.763 1066 L CB -0.894 41.136 42.059 -0.048 0.000 0.908 1066 L HN 0.151 nan 8.230 nan 0.000 0.437 1067 Q N 0.144 119.899 119.800 -0.076 0.000 2.522 1067 Q HA -0.163 4.182 4.340 0.008 0.000 0.216 1067 Q C 1.283 177.217 176.000 -0.109 0.000 0.986 1067 Q CA 0.767 56.531 55.803 -0.065 0.000 0.901 1067 Q CB -0.051 28.674 28.738 -0.021 0.000 0.954 1067 Q HN 0.541 nan 8.270 nan 0.000 0.502 1068 N N -0.769 117.819 118.700 -0.188 0.000 2.254 1068 N HA 0.044 4.789 4.740 0.008 0.000 0.190 1068 N C 0.105 175.447 175.510 -0.281 0.000 1.107 1068 N CA 0.225 53.133 53.050 -0.236 0.000 0.869 1068 N CB 0.469 38.776 38.487 -0.300 0.000 0.983 1068 N HN 0.217 nan 8.380 nan 0.000 0.487 1069 M N 2.154 121.583 119.600 -0.284 0.000 3.759 1069 M HA 0.074 4.559 4.480 0.008 0.000 0.190 1069 M C 1.048 177.250 176.300 -0.165 0.000 1.478 1069 M CA -0.073 55.069 55.300 -0.263 0.000 1.691 1069 M CB -1.269 31.173 32.600 -0.263 0.000 1.113 1069 M HN 0.062 nan 8.290 nan 0.000 0.542 1070 I N -1.581 118.903 120.570 -0.145 0.000 3.055 1070 I HA -0.173 4.002 4.170 0.008 0.000 0.277 1070 I C 1.314 177.411 176.117 -0.033 0.000 1.306 1070 I CA 1.582 62.836 61.300 -0.078 0.000 1.426 1070 I CB -0.695 37.278 38.000 -0.046 0.000 1.081 1070 I HN 0.399 nan 8.210 nan 0.000 0.502 1071 E N 0.623 120.800 120.200 -0.038 0.000 2.400 1071 E HA 0.032 4.387 4.350 0.008 0.000 0.195 1071 E C 0.135 176.769 176.600 0.058 0.000 1.012 1071 E CA 0.041 56.466 56.400 0.041 0.000 0.875 1071 E CB 0.154 29.846 29.700 -0.013 0.000 0.859 1071 E HN 0.626 nan 8.360 nan 0.000 0.498 1072 D N 1.352 121.748 120.400 -0.006 0.000 2.387 1072 D HA 0.099 4.744 4.640 0.008 0.000 0.251 1072 D C 0.402 176.707 176.300 0.008 0.000 1.141 1072 D CA -0.230 53.769 54.000 -0.002 0.000 0.987 1072 D CB 0.730 41.504 40.800 -0.043 0.000 1.116 1072 D HN 0.036 nan 8.370 nan 0.000 0.491 1073 R N -1.044 119.465 120.500 0.016 0.000 2.404 1073 R HA 0.584 4.929 4.340 0.008 0.000 0.291 1073 R C -0.247 176.056 176.300 0.004 0.000 1.025 1073 R CA -0.524 55.586 56.100 0.018 0.000 0.991 1073 R CB 0.989 31.308 30.300 0.032 0.000 1.053 1073 R HN 0.167 nan 8.270 nan 0.000 0.479 1074 T N 0.667 115.224 114.554 0.004 0.000 2.940 1074 T HA 0.100 4.455 4.350 0.008 0.000 0.288 1074 T C 0.642 175.350 174.700 0.013 0.000 1.045 1074 T CA -0.603 61.499 62.100 0.003 0.000 1.018 1074 T CB 1.735 70.601 68.868 -0.003 0.000 1.151 1074 T HN 0.787 nan 8.240 nan 0.000 0.529 1075 E N 0.866 121.076 120.200 0.017 0.000 2.209 1075 E HA -0.069 4.286 4.350 0.008 0.000 0.196 1075 E C 1.189 177.808 176.600 0.032 0.000 0.993 1075 E CA 1.285 57.700 56.400 0.027 0.000 0.819 1075 E CB 0.045 29.766 29.700 0.034 0.000 0.745 1075 E HN 0.518 nan 8.360 nan 0.000 0.477 1076 S N -1.767 113.951 115.700 0.031 0.000 2.751 1076 S HA 0.747 5.222 4.470 0.008 0.000 0.247 1076 S C -0.179 174.432 174.600 0.019 0.000 1.103 1076 S CA -0.203 58.016 58.200 0.031 0.000 1.090 1076 S CB 0.741 63.968 63.200 0.046 0.000 0.928 1076 S HN 0.172 nan 8.310 nan 0.000 0.502 1077 A N 1.192 124.019 122.820 0.012 0.000 2.577 1077 A HA 0.638 4.963 4.320 0.008 0.000 0.297 1077 A C -0.759 176.829 177.584 0.006 0.000 1.060 1077 A CA -0.840 51.196 52.037 -0.000 0.000 0.697 1077 A CB 0.778 19.770 19.000 -0.013 0.000 1.281 1077 A HN 0.421 nan 8.150 nan 0.000 0.402 1078 L N 1.735 122.962 121.223 0.008 0.000 2.453 1078 L HA 0.465 4.810 4.340 0.008 0.000 0.261 1078 L C 1.247 178.135 176.870 0.030 0.000 1.179 1078 L CA -0.338 54.523 54.840 0.033 0.000 0.813 1078 L CB 1.185 43.291 42.059 0.079 0.000 1.110 1078 L HN 0.921 nan 8.230 nan 0.000 0.466 1079 S N -0.211 115.525 115.700 0.060 0.000 2.672 1079 S HA 0.104 4.579 4.470 0.008 0.000 0.276 1079 S C 0.802 175.482 174.600 0.132 0.000 1.207 1079 S CA -0.565 57.688 58.200 0.089 0.000 1.002 1079 S CB 0.819 64.085 63.200 0.110 0.000 0.998 1079 S HN 0.579 nan 8.310 nan 0.000 0.542 1080 Y N 1.567 121.903 120.300 0.061 0.000 2.102 1080 Y HA -0.293 4.262 4.550 0.008 0.000 0.280 1080 Y C 2.103 178.114 175.900 0.185 0.000 1.178 1080 Y CA 2.366 60.523 58.100 0.094 0.000 1.146 1080 Y CB -0.921 37.579 38.460 0.066 0.000 0.968 1080 Y HN 0.873 nan 8.280 nan 0.000 0.504 1081 Y N 1.307 121.545 120.300 -0.103 0.000 2.224 1081 Y HA -0.189 4.366 4.550 0.008 0.000 0.289 1081 Y C 2.237 178.066 175.900 -0.117 0.000 1.146 1081 Y CA 2.133 60.135 58.100 -0.164 0.000 1.182 1081 Y CB -0.531 37.916 38.460 -0.021 0.000 0.983 1081 Y HN 0.356 nan 8.280 nan 0.000 0.524 1082 E N -1.123 119.018 120.200 -0.099 0.000 2.077 1082 E HA -0.222 4.133 4.350 0.008 0.000 0.193 1082 E C 2.006 178.543 176.600 -0.105 0.000 0.989 1082 E CA 1.215 57.532 56.400 -0.137 0.000 0.800 1082 E CB -0.492 29.207 29.700 -0.002 0.000 0.746 1082 E HN 0.443 nan 8.360 nan 0.000 0.452 1083 F N 1.547 121.364 119.950 -0.221 0.000 2.095 1083 F HA -0.198 4.334 4.527 0.008 0.000 0.298 1083 F C 1.948 177.598 175.800 -0.250 0.000 1.104 1083 F CA 1.300 59.169 58.000 -0.218 0.000 1.232 1083 F CB -0.197 38.678 39.000 -0.208 0.000 0.987 1083 F HN -0.058 nan 8.300 nan 0.000 0.475 1084 L N -1.008 120.024 121.223 -0.317 0.000 2.046 1084 L HA -0.247 4.098 4.340 0.008 0.000 0.208 1084 L C 2.420 179.084 176.870 -0.344 0.000 1.077 1084 L CA 0.654 55.269 54.840 -0.374 0.000 0.747 1084 L CB -0.797 41.026 42.059 -0.393 0.000 0.896 1084 L HN 0.179 nan 8.230 nan 0.000 0.432 1085 L N -0.444 120.542 121.223 -0.395 0.000 2.042 1085 L HA -0.275 4.070 4.340 0.008 0.000 0.210 1085 L C 2.712 179.445 176.870 -0.227 0.000 1.076 1085 L CA 1.863 56.499 54.840 -0.339 0.000 0.749 1085 L CB -1.176 40.643 42.059 -0.399 0.000 0.893 1085 L HN 0.345 nan 8.230 nan 0.000 0.432 1086 H N -0.807 118.075 119.070 -0.313 0.000 2.389 1086 H HA -0.084 4.477 4.556 0.008 0.000 0.299 1086 H C 2.221 177.348 175.328 -0.334 0.000 1.081 1086 H CA 1.365 57.241 56.048 -0.287 0.000 1.345 1086 H CB 0.270 29.867 29.762 -0.275 0.000 1.393 1086 H HN 0.174 nan 8.280 nan 0.000 0.520 1087 I N 1.200 121.646 120.570 -0.207 0.000 2.163 1087 I HA -0.264 3.911 4.170 0.008 0.000 0.240 1087 I C 2.680 178.677 176.117 -0.200 0.000 1.081 1087 I CA 1.303 62.458 61.300 -0.241 0.000 1.353 1087 I CB -1.091 36.683 38.000 -0.377 0.000 1.054 1087 I HN 0.381 nan 8.210 nan 0.000 0.407 1088 Q N 0.706 120.388 119.800 -0.196 0.000 2.181 1088 Q HA -0.283 4.062 4.340 0.008 0.000 0.205 1088 Q C 2.214 178.121 176.000 -0.155 0.000 0.980 1088 Q CA 1.791 57.503 55.803 -0.152 0.000 0.862 1088 Q CB -0.089 28.566 28.738 -0.139 0.000 0.905 1088 Q HN 0.525 nan 8.270 nan 0.000 0.429 1089 Q N -0.793 118.885 119.800 -0.202 0.000 2.124 1089 Q HA -0.195 4.150 4.340 0.008 0.000 0.202 1089 Q C 1.954 177.834 176.000 -0.200 0.000 0.977 1089 Q CA 1.264 56.943 55.803 -0.206 0.000 0.850 1089 Q CB 0.226 28.803 28.738 -0.268 0.000 0.901 1089 Q HN 0.442 nan 8.270 nan 0.000 0.429 1090 Q N -0.551 119.112 119.800 -0.228 0.000 2.089 1090 Q HA -0.056 4.289 4.340 0.008 0.000 0.195 1090 Q C 2.329 178.264 176.000 -0.108 0.000 0.963 1090 Q CA 0.980 56.680 55.803 -0.173 0.000 0.834 1090 Q CB -0.303 28.330 28.738 -0.174 0.000 0.906 1090 Q HN 0.257 nan 8.270 nan 0.000 0.452 1091 V N 2.818 122.672 119.914 -0.100 0.000 2.313 1091 V HA -0.293 3.832 4.120 0.008 0.000 0.253 1091 V C 0.975 177.038 176.094 -0.051 0.000 1.070 1091 V CA 2.198 64.460 62.300 -0.062 0.000 1.057 1091 V CB -0.769 31.020 31.823 -0.057 0.000 0.653 1091 V HN 0.574 nan 8.190 nan 0.000 0.450 1092 N N -0.297 118.364 118.700 -0.064 0.000 2.535 1092 N HA 0.168 4.913 4.740 0.008 0.000 0.294 1092 N C 0.044 175.519 175.510 -0.059 0.000 1.408 1092 N CA -0.532 52.486 53.050 -0.053 0.000 0.927 1092 N CB -0.059 38.398 38.487 -0.049 0.000 1.276 1092 N HN 0.645 nan 8.380 nan 0.000 0.505 1093 K N 0.000 120.361 120.400 -0.065 0.000 2.780 1093 K HA 0.000 4.325 4.320 0.008 0.000 0.191 1093 K CA 0.000 56.247 56.287 -0.066 0.000 0.838 1093 K CB 0.000 32.456 32.500 -0.073 0.000 1.064 1093 K HN 0.000 nan 8.250 nan 0.000 0.543