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 2o2p_1_C DATA FIRST_RESID 405 DATA SEQUENCE VINYVEKAVN KLTLQMPYQL FIGGEFVDAE GSKTYNTINP TDGSVICQVS DATA SEQUENCE LAQVSDVDKA VAAAKEAFEN GLWGKINARD RGRLLYRLAD VMEQHQEELA DATA SEQUENCE TIEALDAGAV YTLALKTHVG MSIQTFRYFA GWCDKIQGAT IPINQARPNR DATA SEQUENCE NLTLTKKEPV GVCGIVIPWN YPLMMLSWKT AACLAAGNTV VIKPAQVTPL DATA SEQUENCE TALKFAELTL KAGIPKGVVN ILPGSGSLVG QRLSDHPDVR KIGFTGSTEV DATA SEQUENCE GKHIMKSCAL SNVKKVSLEL GGKSPLIIFA DCDLNKAVQM GMSSVFFNKG DATA SEQUENCE ENCIAAGRLF VEESIHNQFV QKVVEEVEKM KIGNPLERDT NHGPQNHEAH DATA SEQUENCE LRKLVEYCQR GVKEGATLVC GGNQVPRPGF FFQPTVFTDV EDHMYIAKEE DATA SEQUENCE SFGPIMIISR FADGDVDAVL SRANATEFGL ASGVFTRDIN KALYVSDKLQ DATA SEQUENCE AGTVFINTYN KTDVAAPFGG FKQSGFGKDL GEAALNEYLR IKTVTFEY 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 405 V HA 0.000 nan 4.120 nan 0.000 0.244 405 V C 0.000 176.051 176.094 -0.072 0.000 1.182 405 V CA 0.000 62.300 62.300 0.000 0.000 1.235 405 V CB 0.000 31.834 31.823 0.018 0.000 1.184 406 I N 2.542 123.006 120.570 -0.175 0.000 2.474 406 I HA 0.272 4.442 4.170 -0.000 0.000 0.287 406 I C 0.655 176.362 176.117 -0.684 0.000 1.048 406 I CA 0.091 61.133 61.300 -0.431 0.000 1.383 406 I CB 0.661 38.307 38.000 -0.590 0.000 1.412 406 I HN 0.665 nan 8.210 nan 0.000 0.531 407 N N 5.419 123.815 118.700 -0.507 0.000 2.497 407 N HA 0.237 4.976 4.740 -0.000 0.000 0.268 407 N C -1.424 173.831 175.510 -0.425 0.000 1.171 407 N CA -0.129 52.734 53.050 -0.311 0.000 0.948 407 N CB 0.522 38.958 38.487 -0.085 0.000 1.069 407 N HN 0.343 nan 8.380 nan 0.000 0.460 408 Y N 0.221 120.566 120.300 0.075 0.000 2.485 408 Y HA 0.370 4.920 4.550 -0.000 0.000 0.345 408 Y C 0.041 176.006 175.900 0.110 0.000 0.998 408 Y CA -1.078 57.062 58.100 0.068 0.000 1.059 408 Y CB 1.082 39.536 38.460 -0.011 0.000 1.234 408 Y HN 0.125 nan 8.280 nan 0.000 0.461 409 V N 2.329 122.401 119.914 0.263 0.000 2.432 409 V HA 0.170 4.289 4.120 -0.000 0.000 0.271 409 V C -0.062 176.079 176.094 0.078 0.000 1.046 409 V CA -0.629 61.721 62.300 0.082 0.000 0.945 409 V CB 0.959 32.784 31.823 0.003 0.000 0.992 409 V HN 0.740 nan 8.190 nan 0.000 0.471 410 E N 5.042 125.265 120.200 0.038 0.000 2.191 410 E HA 0.554 4.904 4.350 -0.000 0.000 0.278 410 E C -0.648 175.943 176.600 -0.016 0.000 0.972 410 E CA -0.788 55.614 56.400 0.003 0.000 0.804 410 E CB 1.260 30.962 29.700 0.003 0.000 1.110 410 E HN 0.635 nan 8.360 nan 0.000 0.394 411 K N 2.726 123.110 120.400 -0.027 0.000 2.535 411 K HA 0.481 4.801 4.320 -0.000 0.000 0.250 411 K C -1.740 174.837 176.600 -0.037 0.000 0.948 411 K CA -0.649 55.620 56.287 -0.030 0.000 0.796 411 K CB 1.690 34.174 32.500 -0.027 0.000 1.216 411 K HN 0.496 nan 8.250 nan 0.000 0.432 412 A N 3.514 126.312 122.820 -0.037 0.000 2.310 412 A HA 0.550 4.870 4.320 -0.000 0.000 0.300 412 A C -0.973 176.583 177.584 -0.047 0.000 1.269 412 A CA -0.399 51.613 52.037 -0.042 0.000 0.909 412 A CB 0.581 19.559 19.000 -0.037 0.000 1.144 412 A HN 0.482 nan 8.150 nan 0.000 0.540 413 V N 3.243 123.124 119.914 -0.055 0.000 3.023 413 V HA 0.499 4.619 4.120 -0.000 0.000 0.294 413 V C -0.053 175.985 176.094 -0.093 0.000 1.324 413 V CA -0.134 62.125 62.300 -0.068 0.000 0.979 413 V CB 1.924 33.711 31.823 -0.060 0.000 1.093 413 V HN 1.200 nan 8.190 nan 0.000 0.434 414 N N 3.663 122.292 118.700 -0.120 0.000 2.735 414 N HA -0.188 4.552 4.740 -0.000 0.000 0.248 414 N C 0.512 175.935 175.510 -0.144 0.000 1.083 414 N CA 1.610 54.551 53.050 -0.181 0.000 0.703 414 N CB -1.022 37.297 38.487 -0.281 0.000 1.005 414 N HN 0.967 nan 8.380 nan 0.000 0.550 415 K N -3.152 117.190 120.400 -0.097 0.000 3.500 415 K HA -0.221 4.098 4.320 -0.000 0.000 0.313 415 K C -0.236 176.328 176.600 -0.060 0.000 1.338 415 K CA 1.450 57.694 56.287 -0.071 0.000 0.963 415 K CB -1.484 30.975 32.500 -0.067 0.000 1.267 415 K HN 0.444 nan 8.250 nan 0.000 0.448 416 L N 0.100 121.284 121.223 -0.064 0.000 2.303 416 L HA 0.412 4.752 4.340 -0.000 0.000 0.266 416 L C 0.301 177.139 176.870 -0.052 0.000 1.011 416 L CA -0.935 53.873 54.840 -0.053 0.000 0.818 416 L CB 2.049 44.080 42.059 -0.045 0.000 1.326 416 L HN -0.167 nan 8.230 nan 0.000 0.435 417 T N 2.761 117.283 114.554 -0.053 0.000 2.929 417 T HA 0.445 4.794 4.350 -0.000 0.000 0.331 417 T C -0.009 174.649 174.700 -0.070 0.000 1.120 417 T CA -0.443 61.621 62.100 -0.059 0.000 0.973 417 T CB -0.058 68.775 68.868 -0.060 0.000 1.036 417 T HN 0.226 nan 8.240 nan 0.000 0.502 418 L N 3.354 124.542 121.223 -0.058 0.000 2.453 418 L HA 0.244 4.584 4.340 -0.000 0.000 0.272 418 L C 0.605 177.418 176.870 -0.096 0.000 1.182 418 L CA -0.213 54.593 54.840 -0.058 0.000 0.858 418 L CB 0.304 42.345 42.059 -0.029 0.000 1.120 418 L HN 0.373 nan 8.230 nan 0.000 0.474 419 Q N 5.210 124.914 119.800 -0.160 0.000 2.401 419 Q HA 0.460 4.799 4.340 -0.000 0.000 0.260 419 Q C -0.903 175.032 176.000 -0.109 0.000 1.034 419 Q CA -0.063 55.559 55.803 -0.302 0.000 0.737 419 Q CB 2.228 30.470 28.738 -0.828 0.000 1.227 419 Q HN 0.628 nan 8.270 nan 0.000 0.488 420 M N 4.151 123.805 119.600 0.090 0.000 2.066 420 M HA 0.363 4.843 4.480 -0.000 0.000 0.340 420 M C -2.348 174.065 176.300 0.189 0.000 1.053 420 M CA -1.769 53.607 55.300 0.126 0.000 0.983 420 M CB 1.555 34.203 32.600 0.079 0.000 1.520 420 M HN 0.035 nan 8.290 nan 0.000 0.428 421 P HA -0.004 nan 4.420 nan 0.000 0.269 421 P C -0.802 176.436 177.300 -0.103 0.000 1.215 421 P CA 0.209 63.111 63.100 -0.331 0.000 0.780 421 P CB 0.184 31.316 31.700 -0.946 0.000 0.898 422 Y N -1.464 118.747 120.300 -0.149 0.000 2.610 422 Y HA 0.448 4.997 4.550 -0.000 0.000 0.254 422 Y C 0.246 176.157 175.900 0.019 0.000 1.110 422 Y CA -0.445 57.624 58.100 -0.052 0.000 1.238 422 Y CB -0.175 38.243 38.460 -0.071 0.000 1.322 422 Y HN 0.190 nan 8.280 nan 0.000 0.547 423 Q N 1.295 120.925 119.800 -0.285 0.000 2.195 423 Q HA 0.548 4.888 4.340 -0.000 0.000 0.250 423 Q C -0.450 175.673 176.000 0.205 0.000 0.988 423 Q CA -1.173 54.589 55.803 -0.068 0.000 0.911 423 Q CB 2.121 30.753 28.738 -0.175 0.000 1.258 423 Q HN 0.246 nan 8.270 nan 0.000 0.475 424 L N 0.964 122.284 121.223 0.162 0.000 2.483 424 L HA 0.110 4.450 4.340 -0.000 0.000 0.275 424 L C -0.337 176.631 176.870 0.163 0.000 1.220 424 L CA 0.261 55.195 54.840 0.157 0.000 0.833 424 L CB -0.066 42.043 42.059 0.083 0.000 1.102 424 L HN 0.491 nan 8.230 nan 0.000 0.490 425 F N 3.935 123.817 119.950 -0.114 0.000 2.434 425 F HA 0.592 5.119 4.527 -0.000 0.000 0.355 425 F C -0.500 175.154 175.800 -0.244 0.000 1.115 425 F CA -0.514 57.256 58.000 -0.382 0.000 1.010 425 F CB 0.639 39.325 39.000 -0.523 0.000 1.234 425 F HN 0.144 nan 8.300 nan 0.000 0.439 426 I N 4.955 125.164 120.570 -0.602 0.000 2.499 426 I HA 0.393 4.563 4.170 -0.000 0.000 0.288 426 I C 0.638 176.424 176.117 -0.552 0.000 1.048 426 I CA -1.059 59.973 61.300 -0.447 0.000 1.062 426 I CB 2.000 39.868 38.000 -0.220 0.000 1.238 426 I HN 0.782 nan 8.210 nan 0.000 0.426 427 G N 4.204 112.718 108.800 -0.477 0.000 2.356 427 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.296 427 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.296 427 G C 0.987 175.601 174.900 -0.476 0.000 1.022 427 G CA 0.794 45.666 45.100 -0.380 0.000 0.961 427 G HN 1.624 nan 8.290 nan 0.000 0.510 428 G N -1.318 106.985 108.800 -0.828 0.000 2.162 428 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.260 428 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.260 428 G C 0.140 174.700 174.900 -0.568 0.000 0.976 428 G CA 1.342 46.040 45.100 -0.669 0.000 0.655 428 G HN 2.031 nan 8.290 nan 0.000 0.533 429 E N -0.765 118.998 120.200 -0.728 0.000 2.317 429 E HA 0.706 5.056 4.350 -0.000 0.000 0.270 429 E C -0.966 175.399 176.600 -0.393 0.000 0.885 429 E CA -1.453 54.730 56.400 -0.361 0.000 0.760 429 E CB 1.261 30.856 29.700 -0.176 0.000 1.227 429 E HN 0.046 nan 8.360 nan 0.000 0.434 430 F N 1.505 121.467 119.950 0.020 0.000 2.420 430 F HA 0.359 4.885 4.527 -0.000 0.000 0.352 430 F C 0.194 175.945 175.800 -0.081 0.000 1.108 430 F CA -0.347 57.659 58.000 0.009 0.000 1.162 430 F CB 1.619 40.584 39.000 -0.057 0.000 1.118 430 F HN 0.375 nan 8.300 nan 0.000 0.510 431 V N -0.149 119.811 119.914 0.078 0.000 2.971 431 V HA 0.529 4.649 4.120 -0.000 0.000 0.309 431 V C -0.713 175.396 176.094 0.026 0.000 1.130 431 V CA -1.207 61.103 62.300 0.018 0.000 0.964 431 V CB 1.752 33.562 31.823 -0.022 0.000 1.029 431 V HN 0.453 nan 8.190 nan 0.000 0.427 432 D N 2.142 122.557 120.400 0.024 0.000 2.400 432 D HA 0.523 5.162 4.640 -0.000 0.000 0.238 432 D C 0.675 177.005 176.300 0.050 0.000 1.157 432 D CA 0.855 54.884 54.000 0.049 0.000 0.889 432 D CB 1.545 42.379 40.800 0.056 0.000 1.199 432 D HN 1.149 nan 8.370 nan 0.000 0.436 433 A N 1.131 123.993 122.820 0.069 0.000 2.327 433 A HA 0.097 4.417 4.320 -0.000 0.000 0.255 433 A C 0.568 178.182 177.584 0.051 0.000 1.099 433 A CA -0.350 51.725 52.037 0.064 0.000 0.801 433 A CB 0.073 19.124 19.000 0.085 0.000 1.062 433 A HN 0.615 nan 8.150 nan 0.000 0.496 434 E N -0.348 119.878 120.200 0.043 0.000 2.452 434 E HA 0.279 4.629 4.350 -0.000 0.000 0.261 434 E C 1.233 177.856 176.600 0.039 0.000 0.987 434 E CA 1.014 57.435 56.400 0.035 0.000 0.926 434 E CB -0.051 29.667 29.700 0.031 0.000 0.934 434 E HN 1.483 nan 8.360 nan 0.000 0.452 435 G N 3.257 112.077 108.800 0.034 0.000 2.175 435 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.265 435 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.265 435 G C 0.535 175.459 174.900 0.041 0.000 0.979 435 G CA 0.546 45.666 45.100 0.034 0.000 0.663 435 G HN 0.873 nan 8.290 nan 0.000 0.533 436 S N -1.190 114.539 115.700 0.049 0.000 3.533 436 S HA -0.213 4.257 4.470 -0.000 0.000 0.347 436 S C 0.820 175.462 174.600 0.069 0.000 1.101 436 S CA 1.912 60.149 58.200 0.061 0.000 1.009 436 S CB -0.703 62.530 63.200 0.054 0.000 0.916 436 S HN 1.036 nan 8.310 nan 0.000 0.496 437 K N 1.841 122.285 120.400 0.072 0.000 2.401 437 K HA 0.324 4.644 4.320 -0.000 0.000 0.278 437 K C 0.848 177.517 176.600 0.115 0.000 1.018 437 K CA 0.678 57.015 56.287 0.083 0.000 0.981 437 K CB 0.440 32.988 32.500 0.079 0.000 0.933 437 K HN 0.514 nan 8.250 nan 0.000 0.477 438 T N -0.630 113.994 114.554 0.117 0.000 2.838 438 T HA 0.592 4.941 4.350 -0.000 0.000 0.292 438 T C -1.119 173.697 174.700 0.194 0.000 1.113 438 T CA -0.968 61.209 62.100 0.129 0.000 1.008 438 T CB 0.936 69.830 68.868 0.043 0.000 1.259 438 T HN 0.620 nan 8.240 nan 0.000 0.520 439 Y N -1.061 119.259 120.300 0.034 0.000 2.615 439 Y HA 0.766 5.315 4.550 -0.000 0.000 0.341 439 Y C -1.174 174.735 175.900 0.014 0.000 1.089 439 Y CA -1.420 56.691 58.100 0.018 0.000 1.049 439 Y CB 0.955 39.422 38.460 0.013 0.000 1.296 439 Y HN 0.551 nan 8.280 nan 0.000 0.470 440 N N 0.986 119.703 118.700 0.029 0.000 2.479 440 N HA 0.279 5.019 4.740 -0.000 0.000 0.285 440 N C -0.976 174.517 175.510 -0.029 0.000 1.075 440 N CA -0.339 52.671 53.050 -0.067 0.000 0.967 440 N CB 1.820 40.313 38.487 0.009 0.000 1.137 440 N HN 0.773 nan 8.380 nan 0.000 0.472 441 T N 2.306 116.794 114.554 -0.110 0.000 2.829 441 T HA 0.509 4.859 4.350 -0.000 0.000 0.282 441 T C -0.350 174.359 174.700 0.016 0.000 0.990 441 T CA -0.663 61.429 62.100 -0.012 0.000 1.028 441 T CB 0.206 69.049 68.868 -0.041 0.000 0.951 441 T HN 0.171 nan 8.240 nan 0.000 0.460 442 I N 5.006 125.609 120.570 0.055 0.000 2.404 442 I HA 0.349 4.518 4.170 -0.000 0.000 0.293 442 I C 0.416 176.587 176.117 0.090 0.000 0.992 442 I CA -1.151 60.200 61.300 0.085 0.000 1.149 442 I CB 1.383 39.470 38.000 0.145 0.000 1.315 442 I HN 0.629 nan 8.210 nan 0.000 0.446 443 N N 9.030 127.766 118.700 0.059 0.000 2.420 443 N HA 0.164 4.904 4.740 -0.000 0.000 0.262 443 N C -1.736 173.785 175.510 0.018 0.000 1.144 443 N CA -1.598 51.467 53.050 0.025 0.000 0.952 443 N CB 1.339 39.820 38.487 -0.010 0.000 1.081 443 N HN 0.310 nan 8.380 nan 0.000 0.480 444 P HA -0.003 nan 4.420 nan 0.000 0.237 444 P C 0.682 177.812 177.300 -0.284 0.000 1.178 444 P CA 0.740 63.848 63.100 0.012 0.000 0.766 444 P CB 0.321 32.063 31.700 0.071 0.000 0.876 445 T N 0.414 114.859 114.554 -0.182 0.000 2.985 445 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 445 T C 0.963 175.630 174.700 -0.055 0.000 1.076 445 T CA 1.773 63.830 62.100 -0.072 0.000 1.135 445 T CB -0.306 68.574 68.868 0.019 0.000 0.890 445 T HN 0.347 nan 8.240 nan 0.000 0.480 446 D N -1.419 118.880 120.400 -0.167 0.000 2.497 446 D HA 0.237 4.877 4.640 -0.000 0.000 0.256 446 D C 1.284 177.445 176.300 -0.233 0.000 1.273 446 D CA 0.520 54.419 54.000 -0.168 0.000 0.812 446 D CB -0.490 40.263 40.800 -0.078 0.000 1.190 446 D HN 0.291 nan 8.370 nan 0.000 0.524 447 G N 0.801 109.412 108.800 -0.316 0.000 2.184 447 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.264 447 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.264 447 G C 0.457 175.373 174.900 0.025 0.000 0.975 447 G CA 0.608 45.624 45.100 -0.140 0.000 0.642 447 G HN 0.992 nan 8.290 nan 0.000 0.536 448 S N -0.838 114.853 115.700 -0.014 0.000 2.603 448 S HA 0.624 5.094 4.470 -0.000 0.000 0.268 448 S C 0.436 175.047 174.600 0.017 0.000 1.317 448 S CA -0.203 57.998 58.200 0.002 0.000 1.012 448 S CB 2.229 65.418 63.200 -0.018 0.000 0.926 448 S HN 1.009 nan 8.310 nan 0.000 0.539 449 V N 3.486 123.405 119.914 0.009 0.000 2.488 449 V HA 0.149 4.269 4.120 -0.000 0.000 0.277 449 V C 1.264 177.346 176.094 -0.021 0.000 1.046 449 V CA -0.205 62.094 62.300 -0.002 0.000 0.986 449 V CB 0.162 31.978 31.823 -0.012 0.000 0.989 449 V HN 0.924 nan 8.190 nan 0.000 0.475 450 I N 3.898 124.453 120.570 -0.024 0.000 2.235 450 I HA 0.005 4.175 4.170 -0.000 0.000 0.241 450 I C 0.985 177.066 176.117 -0.060 0.000 1.085 450 I CA 1.344 62.624 61.300 -0.033 0.000 1.378 450 I CB 0.143 38.130 38.000 -0.022 0.000 1.076 450 I HN 0.871 nan 8.210 nan 0.000 0.415 451 C N -1.961 117.288 119.300 -0.085 0.000 3.216 451 C HA 0.501 4.961 4.460 -0.000 0.000 0.346 451 C C -1.274 173.613 174.990 -0.171 0.000 1.384 451 C CA -1.282 57.655 59.018 -0.136 0.000 1.208 451 C CB 0.950 28.598 27.740 -0.153 0.000 1.483 451 C HN 0.181 nan 8.230 nan 0.000 0.453 452 Q N 0.612 120.281 119.800 -0.218 0.000 2.261 452 Q HA 0.752 5.091 4.340 -0.000 0.000 0.252 452 Q C -0.393 175.481 176.000 -0.210 0.000 0.915 452 Q CA -0.189 55.480 55.803 -0.222 0.000 0.915 452 Q CB 1.556 30.190 28.738 -0.174 0.000 1.204 452 Q HN 0.661 nan 8.270 nan 0.000 0.421 453 V N 1.463 121.195 119.914 -0.302 0.000 2.680 453 V HA 0.412 4.532 4.120 -0.000 0.000 0.309 453 V C -0.349 175.705 176.094 -0.067 0.000 1.052 453 V CA -0.958 61.230 62.300 -0.187 0.000 0.908 453 V CB 2.335 33.897 31.823 -0.435 0.000 1.001 453 V HN 0.819 nan 8.190 nan 0.000 0.431 454 S N 3.444 119.225 115.700 0.135 0.000 2.558 454 S HA 0.261 4.730 4.470 -0.000 0.000 0.288 454 S C -0.288 174.471 174.600 0.264 0.000 1.318 454 S CA -0.064 58.242 58.200 0.176 0.000 1.056 454 S CB 0.347 63.637 63.200 0.151 0.000 0.853 454 S HN 0.538 nan 8.310 nan 0.000 0.505 455 L N 3.715 125.088 121.223 0.250 0.000 2.313 455 L HA 0.551 4.891 4.340 -0.000 0.000 0.273 455 L C 0.236 177.190 176.870 0.139 0.000 1.028 455 L CA -0.283 54.710 54.840 0.254 0.000 0.871 455 L CB 0.048 42.251 42.059 0.240 0.000 1.242 455 L HN 0.731 nan 8.230 nan 0.000 0.434 456 A N 4.274 127.168 122.820 0.123 0.000 2.546 456 A HA 0.347 4.666 4.320 -0.000 0.000 0.243 456 A C 0.142 177.761 177.584 0.058 0.000 1.063 456 A CA 0.045 52.132 52.037 0.084 0.000 0.757 456 A CB -0.015 19.033 19.000 0.079 0.000 0.991 456 A HN 0.718 nan 8.150 nan 0.000 0.503 457 Q N 1.414 121.244 119.800 0.051 0.000 2.252 457 Q HA 0.352 4.692 4.340 -0.000 0.000 0.256 457 Q C 1.544 177.567 176.000 0.038 0.000 1.020 457 Q CA -0.768 55.059 55.803 0.040 0.000 0.913 457 Q CB 0.982 29.742 28.738 0.037 0.000 1.286 457 Q HN 0.437 nan 8.270 nan 0.000 0.480 458 V N 0.956 120.890 119.914 0.034 0.000 2.332 458 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 458 V C 2.270 178.390 176.094 0.045 0.000 1.055 458 V CA 2.586 64.909 62.300 0.040 0.000 1.038 458 V CB -0.953 30.889 31.823 0.031 0.000 0.651 458 V HN 0.904 nan 8.190 nan 0.000 0.450 459 S N -0.168 115.553 115.700 0.035 0.000 2.400 459 S HA -0.257 4.213 4.470 -0.000 0.000 0.232 459 S C 1.629 176.249 174.600 0.033 0.000 1.025 459 S CA 1.685 59.905 58.200 0.033 0.000 0.993 459 S CB -0.543 62.672 63.200 0.025 0.000 0.808 459 S HN 0.647 nan 8.310 nan 0.000 0.478 460 D N 1.535 121.954 120.400 0.032 0.000 2.117 460 D HA -0.013 4.627 4.640 -0.000 0.000 0.198 460 D C 2.214 178.529 176.300 0.024 0.000 0.982 460 D CA 1.132 55.146 54.000 0.025 0.000 0.828 460 D CB -0.462 40.357 40.800 0.033 0.000 0.967 460 D HN 0.373 nan 8.370 nan 0.000 0.464 461 V N 2.042 121.979 119.914 0.039 0.000 2.287 461 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 461 V C 1.947 178.066 176.094 0.041 0.000 1.053 461 V CA 1.789 64.114 62.300 0.041 0.000 1.027 461 V CB -0.477 31.385 31.823 0.065 0.000 0.646 461 V HN 0.040 nan 8.190 nan 0.000 0.447 462 D N 0.041 120.493 120.400 0.087 0.000 2.144 462 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 462 D C 2.240 178.571 176.300 0.051 0.000 0.984 462 D CA 1.207 55.285 54.000 0.131 0.000 0.834 462 D CB -0.230 40.655 40.800 0.141 0.000 0.955 462 D HN 0.448 nan 8.370 nan 0.000 0.465 463 K N 0.548 120.960 120.400 0.019 0.000 2.057 463 K HA -0.036 4.283 4.320 -0.000 0.000 0.207 463 K C 2.134 178.708 176.600 -0.044 0.000 1.049 463 K CA 1.112 57.392 56.287 -0.012 0.000 0.931 463 K CB -0.045 32.443 32.500 -0.021 0.000 0.714 463 K HN 0.029 nan 8.250 nan 0.000 0.440 464 A N 0.964 123.755 122.820 -0.049 0.000 1.873 464 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 464 A C 2.366 179.894 177.584 -0.093 0.000 1.186 464 A CA 1.324 53.318 52.037 -0.073 0.000 0.616 464 A CB -0.634 18.336 19.000 -0.049 0.000 0.823 464 A HN 0.062 nan 8.150 nan 0.000 0.442 465 V N -0.019 119.817 119.914 -0.130 0.000 2.343 465 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 465 V C 3.057 179.072 176.094 -0.132 0.000 1.051 465 V CA 1.908 64.074 62.300 -0.223 0.000 1.036 465 V CB -1.262 30.210 31.823 -0.584 0.000 0.654 465 V HN 0.614 nan 8.190 nan 0.000 0.451 466 A N 0.035 122.814 122.820 -0.069 0.000 1.908 466 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 466 A C 2.427 179.997 177.584 -0.023 0.000 1.181 466 A CA 2.215 54.242 52.037 -0.016 0.000 0.627 466 A CB -0.772 18.233 19.000 0.009 0.000 0.818 466 A HN 0.578 nan 8.150 nan 0.000 0.445 467 A N -0.235 122.555 122.820 -0.050 0.000 1.898 467 A HA 0.186 4.505 4.320 -0.000 0.000 0.216 467 A C 2.514 180.072 177.584 -0.045 0.000 1.181 467 A CA 2.053 54.052 52.037 -0.063 0.000 0.620 467 A CB -1.019 17.914 19.000 -0.113 0.000 0.819 467 A HN 1.061 nan 8.150 nan 0.000 0.442 468 A N -0.204 122.586 122.820 -0.050 0.000 1.902 468 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 468 A C 2.141 179.754 177.584 0.048 0.000 1.181 468 A CA 2.014 54.037 52.037 -0.023 0.000 0.623 468 A CB -0.455 18.513 19.000 -0.053 0.000 0.818 468 A HN 0.564 nan 8.150 nan 0.000 0.443 469 K N -0.360 120.061 120.400 0.036 0.000 2.026 469 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 469 K C 2.062 178.744 176.600 0.137 0.000 1.048 469 K CA 1.818 58.166 56.287 0.100 0.000 0.929 469 K CB -0.157 32.381 32.500 0.063 0.000 0.713 469 K HN 0.402 nan 8.250 nan 0.000 0.439 470 E N 0.587 120.832 120.200 0.075 0.000 2.077 470 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 470 E C 1.630 178.276 176.600 0.077 0.000 0.989 470 E CA 1.663 58.100 56.400 0.061 0.000 0.800 470 E CB -0.293 29.422 29.700 0.024 0.000 0.746 470 E HN 0.397 nan 8.360 nan 0.000 0.452 471 A N -0.239 122.629 122.820 0.080 0.000 1.902 471 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 471 A C 2.191 179.890 177.584 0.192 0.000 1.181 471 A CA 1.472 53.566 52.037 0.096 0.000 0.623 471 A CB -0.915 18.108 19.000 0.039 0.000 0.818 471 A HN 0.469 nan 8.150 nan 0.000 0.443 472 F N 0.739 120.740 119.950 0.084 0.000 2.128 472 F HA -0.054 4.473 4.527 -0.000 0.000 0.295 472 F C 2.229 178.092 175.800 0.105 0.000 1.100 472 F CA 2.010 60.091 58.000 0.135 0.000 1.260 472 F CB -0.218 38.848 39.000 0.110 0.000 1.009 472 F HN 0.335 nan 8.300 nan 0.000 0.476 473 E N -0.594 119.642 120.200 0.060 0.000 2.112 473 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 473 E C 1.130 177.691 176.600 -0.064 0.000 0.979 473 E CA 1.054 57.427 56.400 -0.045 0.000 0.814 473 E CB -0.028 29.723 29.700 0.085 0.000 0.762 473 E HN 0.420 nan 8.360 nan 0.000 0.460 474 N N -0.475 118.218 118.700 -0.012 0.000 2.211 474 N HA 0.063 4.802 4.740 -0.000 0.000 0.216 474 N C 0.485 175.999 175.510 0.007 0.000 1.240 474 N CA 0.275 53.322 53.050 -0.006 0.000 0.895 474 N CB 1.097 39.590 38.487 0.009 0.000 1.102 474 N HN -0.015 nan 8.380 nan 0.000 0.498 475 G N 0.736 109.555 108.800 0.032 0.000 2.580 475 G HA2 0.306 4.265 3.960 -0.000 0.000 0.278 475 G HA3 0.306 4.265 3.960 -0.000 0.000 0.278 475 G C 0.994 175.940 174.900 0.077 0.000 1.212 475 G CA -0.450 44.684 45.100 0.057 0.000 0.939 475 G HN 0.052 nan 8.290 nan 0.000 0.513 476 L N -0.316 120.967 121.223 0.100 0.000 2.127 476 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 476 L C 2.252 179.218 176.870 0.160 0.000 1.089 476 L CA 1.555 56.459 54.840 0.106 0.000 0.757 476 L CB -0.489 41.637 42.059 0.112 0.000 0.899 476 L HN 0.767 nan 8.230 nan 0.000 0.434 477 W N 0.095 121.398 121.300 0.006 0.000 2.342 477 W HA -0.180 4.479 4.660 -0.000 0.000 0.297 477 W C 1.759 178.276 176.519 -0.003 0.000 1.213 477 W CA 1.288 58.649 57.345 0.026 0.000 1.251 477 W CB -0.230 29.270 29.460 0.067 0.000 1.136 477 W HN 0.389 nan 8.180 nan 0.000 0.526 478 G N -0.050 108.785 108.800 0.058 0.000 2.920 478 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.208 478 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.208 478 G C 1.391 176.205 174.900 -0.143 0.000 1.159 478 G CA 0.220 45.231 45.100 -0.149 0.000 0.784 478 G HN 0.224 nan 8.290 nan 0.000 0.535 479 K N -0.323 120.025 120.400 -0.087 0.000 2.365 479 K HA 0.261 4.580 4.320 -0.000 0.000 0.195 479 K C 1.145 177.699 176.600 -0.076 0.000 1.079 479 K CA -0.259 55.985 56.287 -0.072 0.000 0.979 479 K CB 0.420 32.898 32.500 -0.037 0.000 0.929 479 K HN 0.466 nan 8.250 nan 0.000 0.523 480 I N 0.450 120.964 120.570 -0.093 0.000 2.882 480 I HA 0.097 4.266 4.170 -0.000 0.000 0.286 480 I C -0.215 175.830 176.117 -0.119 0.000 1.139 480 I CA -0.744 60.500 61.300 -0.093 0.000 1.379 480 I CB 0.339 38.283 38.000 -0.093 0.000 1.410 480 I HN -0.076 nan 8.210 nan 0.000 0.594 481 N N 2.718 121.367 118.700 -0.086 0.000 2.416 481 N HA 0.076 4.816 4.740 -0.000 0.000 0.246 481 N C 0.996 176.444 175.510 -0.104 0.000 1.260 481 N CA 0.490 53.493 53.050 -0.077 0.000 0.897 481 N CB 1.219 39.676 38.487 -0.049 0.000 1.110 481 N HN 0.853 nan 8.380 nan 0.000 0.439 482 A N 2.681 125.451 122.820 -0.083 0.000 1.917 482 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 482 A C 2.171 179.723 177.584 -0.054 0.000 1.182 482 A CA 1.716 53.707 52.037 -0.077 0.000 0.633 482 A CB -0.438 18.546 19.000 -0.026 0.000 0.819 482 A HN 0.778 nan 8.150 nan 0.000 0.448 483 R N -0.490 119.990 120.500 -0.035 0.000 2.105 483 R HA -0.169 4.170 4.340 -0.000 0.000 0.239 483 R C 1.221 177.508 176.300 -0.021 0.000 1.135 483 R CA 1.899 57.986 56.100 -0.021 0.000 0.967 483 R CB -0.254 30.033 30.300 -0.022 0.000 0.861 483 R HN 0.508 nan 8.270 nan 0.000 0.442 484 D N -0.476 119.900 120.400 -0.040 0.000 2.194 484 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 484 D C 1.774 178.050 176.300 -0.040 0.000 0.964 484 D CA 0.594 54.577 54.000 -0.028 0.000 0.846 484 D CB -0.200 40.582 40.800 -0.031 0.000 0.962 484 D HN 0.264 nan 8.370 nan 0.000 0.490 485 R N 0.946 121.363 120.500 -0.138 0.000 2.091 485 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 485 R C 2.224 178.528 176.300 0.008 0.000 1.136 485 R CA 1.685 57.639 56.100 -0.242 0.000 0.959 485 R CB -0.494 29.507 30.300 -0.498 0.000 0.856 485 R HN 0.153 nan 8.270 nan 0.000 0.437 486 G N 1.053 109.876 108.800 0.039 0.000 2.446 486 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.217 486 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.217 486 G C 1.436 176.436 174.900 0.167 0.000 1.168 486 G CA 0.328 45.504 45.100 0.126 0.000 0.771 486 G HN 0.225 nan 8.290 nan 0.000 0.551 487 R N 0.052 120.616 120.500 0.107 0.000 2.091 487 R HA 0.031 4.371 4.340 -0.000 0.000 0.238 487 R C 2.676 179.083 176.300 0.178 0.000 1.136 487 R CA 0.761 56.932 56.100 0.117 0.000 0.959 487 R CB -0.903 29.433 30.300 0.061 0.000 0.856 487 R HN 0.411 nan 8.270 nan 0.000 0.437 488 L N 0.411 121.744 121.223 0.184 0.000 2.093 488 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 488 L C 2.437 179.458 176.870 0.252 0.000 1.085 488 L CA 0.974 55.949 54.840 0.225 0.000 0.755 488 L CB -0.377 41.872 42.059 0.316 0.000 0.904 488 L HN 0.121 nan 8.230 nan 0.000 0.435 489 L N -2.012 119.401 121.223 0.317 0.000 2.109 489 L HA -0.224 4.115 4.340 -0.000 0.000 0.207 489 L C 2.475 179.521 176.870 0.294 0.000 1.086 489 L CA 1.134 56.186 54.840 0.354 0.000 0.760 489 L CB -0.520 41.818 42.059 0.465 0.000 0.910 489 L HN 0.166 nan 8.230 nan 0.000 0.437 490 Y N 0.537 120.947 120.300 0.183 0.000 2.293 490 Y HA -0.272 4.278 4.550 -0.000 0.000 0.291 490 Y C 2.824 178.786 175.900 0.102 0.000 1.137 490 Y CA 1.283 59.468 58.100 0.142 0.000 1.202 490 Y CB 0.060 38.582 38.460 0.102 0.000 0.990 490 Y HN 0.030 nan 8.280 nan 0.000 0.537 491 R N 0.356 121.008 120.500 0.252 0.000 2.075 491 R HA -0.145 4.194 4.340 -0.000 0.000 0.232 491 R C 2.029 178.363 176.300 0.057 0.000 1.126 491 R CA 1.532 57.722 56.100 0.151 0.000 0.963 491 R CB -1.134 29.241 30.300 0.124 0.000 0.858 491 R HN 0.401 nan 8.270 nan 0.000 0.435 492 L N 0.435 121.666 121.223 0.012 0.000 2.042 492 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 492 L C 2.091 178.874 176.870 -0.144 0.000 1.076 492 L CA 2.309 57.070 54.840 -0.131 0.000 0.749 492 L CB -1.151 40.758 42.059 -0.250 0.000 0.893 492 L HN 0.284 nan 8.230 nan 0.000 0.432 493 A N -0.929 121.838 122.820 -0.088 0.000 1.902 493 A HA -0.220 4.099 4.320 -0.000 0.000 0.217 493 A C 1.997 179.563 177.584 -0.030 0.000 1.181 493 A CA 1.833 53.837 52.037 -0.055 0.000 0.623 493 A CB -0.830 18.108 19.000 -0.103 0.000 0.818 493 A HN 0.534 nan 8.150 nan 0.000 0.443 494 D N -0.266 120.130 120.400 -0.007 0.000 2.123 494 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 494 D C 2.056 178.395 176.300 0.065 0.000 0.992 494 D CA 1.454 55.485 54.000 0.052 0.000 0.833 494 D CB -0.421 40.442 40.800 0.106 0.000 0.954 494 D HN 0.228 nan 8.370 nan 0.000 0.455 495 V N 0.858 120.801 119.914 0.049 0.000 2.358 495 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 495 V C 2.508 178.684 176.094 0.137 0.000 1.047 495 V CA 1.308 63.661 62.300 0.088 0.000 1.035 495 V CB -0.397 31.423 31.823 -0.005 0.000 0.658 495 V HN 0.190 nan 8.190 nan 0.000 0.452 496 M N -0.339 119.284 119.600 0.040 0.000 2.108 496 M HA -0.250 4.230 4.480 -0.000 0.000 0.261 496 M C 2.267 178.643 176.300 0.126 0.000 1.066 496 M CA 2.223 57.569 55.300 0.076 0.000 1.107 496 M CB -0.526 32.112 32.600 0.064 0.000 1.356 496 M HN 0.389 nan 8.290 nan 0.000 0.406 497 E N 0.441 120.698 120.200 0.096 0.000 2.077 497 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 497 E C 1.931 178.581 176.600 0.084 0.000 0.989 497 E CA 1.306 57.756 56.400 0.084 0.000 0.800 497 E CB 0.032 29.769 29.700 0.062 0.000 0.746 497 E HN 0.555 nan 8.360 nan 0.000 0.452 498 Q N -0.917 118.941 119.800 0.097 0.000 2.291 498 Q HA -0.145 4.194 4.340 -0.000 0.000 0.206 498 Q C 0.678 176.635 176.000 -0.072 0.000 0.976 498 Q CA 1.134 56.951 55.803 0.023 0.000 0.875 498 Q CB 0.056 28.807 28.738 0.023 0.000 0.927 498 Q HN 0.431 nan 8.270 nan 0.000 0.450 499 H N -0.578 118.505 119.070 0.021 0.000 2.486 499 H HA 0.050 4.606 4.556 -0.000 0.000 0.284 499 H C 1.357 176.710 175.328 0.041 0.000 1.103 499 H CA -0.100 55.961 56.048 0.023 0.000 1.089 499 H CB 0.305 30.075 29.762 0.014 0.000 1.603 499 H HN 0.298 nan 8.280 nan 0.000 0.557 500 Q N 0.352 120.228 119.800 0.126 0.000 2.119 500 Q HA -0.161 4.179 4.340 -0.000 0.000 0.201 500 Q C 0.780 176.844 176.000 0.106 0.000 0.972 500 Q CA 1.602 57.468 55.803 0.105 0.000 0.847 500 Q CB 0.071 28.853 28.738 0.073 0.000 0.903 500 Q HN 0.334 nan 8.270 nan 0.000 0.433 501 E N 1.557 121.826 120.200 0.116 0.000 2.072 501 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 501 E C 1.822 178.540 176.600 0.197 0.000 0.985 501 E CA 1.463 57.980 56.400 0.195 0.000 0.801 501 E CB -0.077 29.729 29.700 0.176 0.000 0.750 501 E HN 0.594 nan 8.360 nan 0.000 0.452 502 E N 0.544 120.822 120.200 0.129 0.000 2.051 502 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 502 E C 1.924 178.597 176.600 0.121 0.000 0.991 502 E CA 0.903 57.369 56.400 0.109 0.000 0.799 502 E CB -0.081 29.683 29.700 0.106 0.000 0.748 502 E HN 0.204 nan 8.360 nan 0.000 0.449 503 L N 0.391 121.694 121.223 0.132 0.000 2.046 503 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 503 L C 2.671 179.605 176.870 0.105 0.000 1.077 503 L CA 1.137 56.045 54.840 0.115 0.000 0.747 503 L CB -0.451 41.680 42.059 0.121 0.000 0.896 503 L HN 0.234 nan 8.230 nan 0.000 0.432 504 A N -0.588 122.300 122.820 0.113 0.000 1.933 504 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 504 A C 2.354 180.059 177.584 0.201 0.000 1.175 504 A CA 2.192 54.278 52.037 0.080 0.000 0.628 504 A CB -0.819 18.134 19.000 -0.078 0.000 0.814 504 A HN 0.395 nan 8.150 nan 0.000 0.444 505 T N 0.360 115.075 114.554 0.269 0.000 2.777 505 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 505 T C 1.778 176.526 174.700 0.080 0.000 1.040 505 T CA 1.468 63.669 62.100 0.169 0.000 1.141 505 T CB -0.391 68.516 68.868 0.065 0.000 0.868 505 T HN 0.438 nan 8.240 nan 0.000 0.444 506 I N 0.806 121.419 120.570 0.072 0.000 2.226 506 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 506 I C 2.709 178.850 176.117 0.041 0.000 1.100 506 I CA 1.236 62.566 61.300 0.050 0.000 1.374 506 I CB -0.284 37.750 38.000 0.058 0.000 1.057 506 I HN 0.180 nan 8.210 nan 0.000 0.413 507 E N 1.108 121.331 120.200 0.038 0.000 2.106 507 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 507 E C 2.164 178.740 176.600 -0.040 0.000 0.984 507 E CA 1.371 57.771 56.400 -0.001 0.000 0.806 507 E CB -0.114 29.563 29.700 -0.040 0.000 0.750 507 E HN 0.434 nan 8.360 nan 0.000 0.458 508 A N 0.087 122.898 122.820 -0.015 0.000 1.877 508 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 508 A C 2.032 179.606 177.584 -0.017 0.000 1.186 508 A CA 1.320 53.347 52.037 -0.015 0.000 0.620 508 A CB -0.657 18.377 19.000 0.057 0.000 0.822 508 A HN 0.296 nan 8.150 nan 0.000 0.443 509 L N -0.242 120.980 121.223 -0.001 0.000 2.027 509 L HA -0.121 4.218 4.340 -0.000 0.000 0.206 509 L C 2.059 178.931 176.870 0.003 0.000 1.074 509 L CA 2.354 57.192 54.840 -0.004 0.000 0.745 509 L CB -0.739 41.320 42.059 0.001 0.000 0.898 509 L HN 0.442 nan 8.230 nan 0.000 0.433 510 D N -1.762 118.647 120.400 0.015 0.000 2.240 510 D HA 0.065 4.705 4.640 -0.000 0.000 0.206 510 D C 1.769 178.093 176.300 0.040 0.000 0.963 510 D CA 1.018 55.037 54.000 0.032 0.000 0.863 510 D CB 0.394 41.222 40.800 0.046 0.000 0.973 510 D HN 0.226 nan 8.370 nan 0.000 0.501 511 A N -1.250 121.585 122.820 0.025 0.000 2.419 511 A HA 0.545 4.864 4.320 -0.000 0.000 0.233 511 A C 1.652 179.228 177.584 -0.013 0.000 1.217 511 A CA 0.727 52.788 52.037 0.040 0.000 0.944 511 A CB 0.185 19.223 19.000 0.065 0.000 1.025 511 A HN 0.262 nan 8.150 nan 0.000 0.524 512 G N -0.795 107.972 108.800 -0.055 0.000 2.155 512 G HA2 0.055 4.015 3.960 -0.000 0.000 0.257 512 G HA3 0.055 4.015 3.960 -0.000 0.000 0.257 512 G C 0.488 175.305 174.900 -0.138 0.000 0.983 512 G CA 0.382 45.414 45.100 -0.113 0.000 0.676 512 G HN 1.670 nan 8.290 nan 0.000 0.528 513 A N 0.071 122.795 122.820 -0.160 0.000 2.492 513 A HA 0.580 4.900 4.320 -0.000 0.000 0.254 513 A C 0.993 178.469 177.584 -0.180 0.000 1.091 513 A CA 0.357 52.234 52.037 -0.266 0.000 0.768 513 A CB 0.588 19.204 19.000 -0.640 0.000 1.028 513 A HN 1.270 nan 8.150 nan 0.000 0.498 514 V N 4.386 124.216 119.914 -0.140 0.000 2.617 514 V HA -0.145 3.974 4.120 -0.000 0.000 0.304 514 V C 1.376 177.453 176.094 -0.029 0.000 1.040 514 V CA 0.741 63.011 62.300 -0.050 0.000 1.149 514 V CB -0.506 31.294 31.823 -0.038 0.000 0.914 514 V HN 0.986 nan 8.190 nan 0.000 0.487 515 Y N 4.871 125.131 120.300 -0.067 0.000 2.128 515 Y HA -0.309 4.241 4.550 -0.000 0.000 0.284 515 Y C 2.628 178.514 175.900 -0.024 0.000 1.154 515 Y CA 2.530 60.599 58.100 -0.052 0.000 1.149 515 Y CB -0.407 38.034 38.460 -0.031 0.000 0.976 515 Y HN 0.855 nan 8.280 nan 0.000 0.505 516 T N -0.826 113.687 114.554 -0.068 0.000 2.759 516 T HA -0.254 4.096 4.350 -0.000 0.000 0.269 516 T C 2.048 176.678 174.700 -0.117 0.000 1.042 516 T CA 1.578 63.605 62.100 -0.121 0.000 1.140 516 T CB -0.940 67.938 68.868 0.016 0.000 0.864 516 T HN 0.436 nan 8.240 nan 0.000 0.455 517 L N 0.893 122.076 121.223 -0.066 0.000 2.056 517 L HA 0.088 4.427 4.340 -0.000 0.000 0.207 517 L C 3.016 179.903 176.870 0.029 0.000 1.078 517 L CA 1.801 56.641 54.840 -0.000 0.000 0.749 517 L CB -1.218 40.823 42.059 -0.031 0.000 0.901 517 L HN 0.448 nan 8.230 nan 0.000 0.433 518 A N 0.026 122.768 122.820 -0.129 0.000 1.902 518 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 518 A C 2.239 179.768 177.584 -0.092 0.000 1.181 518 A CA 1.398 53.331 52.037 -0.173 0.000 0.623 518 A CB -0.649 18.169 19.000 -0.305 0.000 0.818 518 A HN 0.467 nan 8.150 nan 0.000 0.443 519 L N -0.819 120.248 121.223 -0.260 0.000 1.994 519 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 519 L C 2.739 179.579 176.870 -0.051 0.000 1.071 519 L CA 2.215 56.927 54.840 -0.213 0.000 0.745 519 L CB -0.325 41.515 42.059 -0.365 0.000 0.892 519 L HN 0.517 nan 8.230 nan 0.000 0.431 520 K N -1.505 118.884 120.400 -0.017 0.000 2.076 520 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 520 K C 1.722 178.378 176.600 0.093 0.000 1.051 520 K CA 1.645 57.958 56.287 0.044 0.000 0.949 520 K CB 0.192 32.726 32.500 0.057 0.000 0.726 520 K HN 0.226 nan 8.250 nan 0.000 0.443 521 T N -0.812 113.831 114.554 0.148 0.000 3.234 521 T HA 0.044 4.394 4.350 -0.000 0.000 0.235 521 T C 1.398 176.184 174.700 0.144 0.000 0.971 521 T CA 0.510 62.712 62.100 0.171 0.000 1.292 521 T CB -0.468 68.571 68.868 0.286 0.000 0.994 521 T HN 0.219 nan 8.240 nan 0.000 0.412 522 H N 0.718 119.836 119.070 0.079 0.000 2.319 522 H HA -0.027 4.528 4.556 -0.000 0.000 0.297 522 H C 2.156 177.510 175.328 0.043 0.000 1.097 522 H CA 1.693 57.783 56.048 0.070 0.000 1.285 522 H CB -0.507 29.306 29.762 0.084 0.000 1.368 522 H HN 0.096 nan 8.280 nan 0.000 0.495 523 V N -0.800 119.223 119.914 0.181 0.000 2.492 523 V HA 0.023 4.143 4.120 -0.000 0.000 0.241 523 V C 2.628 178.790 176.094 0.113 0.000 1.041 523 V CA 1.329 63.705 62.300 0.127 0.000 1.057 523 V CB -0.867 31.011 31.823 0.091 0.000 0.711 523 V HN 0.603 nan 8.190 nan 0.000 0.468 524 G N -0.358 108.497 108.800 0.092 0.000 2.476 524 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.218 524 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.218 524 G C 1.662 176.619 174.900 0.095 0.000 1.164 524 G CA 1.374 46.523 45.100 0.082 0.000 0.768 524 G HN 0.398 nan 8.290 nan 0.000 0.560 525 M N 0.681 120.341 119.600 0.100 0.000 2.254 525 M HA -0.016 4.463 4.480 -0.000 0.000 0.265 525 M C 2.652 179.050 176.300 0.164 0.000 1.066 525 M CA 1.207 56.576 55.300 0.115 0.000 1.123 525 M CB 0.020 32.692 32.600 0.120 0.000 1.388 525 M HN 0.236 nan 8.290 nan 0.000 0.425 526 S N 1.015 116.814 115.700 0.165 0.000 2.368 526 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 526 S C 1.659 176.448 174.600 0.314 0.000 1.030 526 S CA 1.392 59.730 58.200 0.229 0.000 0.999 526 S CB -0.426 62.895 63.200 0.202 0.000 0.844 526 S HN 0.493 nan 8.310 nan 0.000 0.459 527 I N 1.581 122.288 120.570 0.229 0.000 2.179 527 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 527 I C 2.707 178.922 176.117 0.164 0.000 1.088 527 I CA 1.195 62.614 61.300 0.199 0.000 1.357 527 I CB -0.404 37.663 38.000 0.113 0.000 1.051 527 I HN 0.309 nan 8.210 nan 0.000 0.409 528 Q N 0.034 119.908 119.800 0.123 0.000 2.135 528 Q HA -0.195 4.144 4.340 -0.000 0.000 0.204 528 Q C 2.237 178.309 176.000 0.119 0.000 0.981 528 Q CA 2.110 57.965 55.803 0.088 0.000 0.856 528 Q CB -0.282 28.486 28.738 0.049 0.000 0.902 528 Q HN 0.535 nan 8.270 nan 0.000 0.425 529 T N 0.480 115.124 114.554 0.150 0.000 2.708 529 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 529 T C 1.430 176.255 174.700 0.209 0.000 1.037 529 T CA 1.171 63.364 62.100 0.155 0.000 1.146 529 T CB -0.365 68.583 68.868 0.134 0.000 0.865 529 T HN 0.194 nan 8.240 nan 0.000 0.435 530 F N 1.353 121.443 119.950 0.234 0.000 2.171 530 F HA -0.004 4.522 4.527 -0.000 0.000 0.300 530 F C 2.667 178.550 175.800 0.138 0.000 1.090 530 F CA 1.013 59.144 58.000 0.218 0.000 1.293 530 F CB -0.212 38.885 39.000 0.162 0.000 1.013 530 F HN -0.035 nan 8.300 nan 0.000 0.486 531 R N -1.231 119.363 120.500 0.158 0.000 2.092 531 R HA -0.203 4.137 4.340 -0.000 0.000 0.231 531 R C 2.085 178.469 176.300 0.139 0.000 1.119 531 R CA 1.620 57.694 56.100 -0.043 0.000 0.970 531 R CB -0.806 29.346 30.300 -0.247 0.000 0.864 531 R HN 0.323 nan 8.270 nan 0.000 0.440 532 Y N 0.610 120.905 120.300 -0.009 0.000 2.114 532 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 532 Y C 1.802 177.632 175.900 -0.116 0.000 1.143 532 Y CA 1.603 59.617 58.100 -0.144 0.000 1.135 532 Y CB -0.377 37.897 38.460 -0.310 0.000 0.980 532 Y HN -0.123 nan 8.280 nan 0.000 0.499 533 F N -0.022 120.033 119.950 0.176 0.000 2.234 533 F HA -0.058 4.469 4.527 -0.000 0.000 0.299 533 F C 2.561 178.454 175.800 0.156 0.000 1.087 533 F CA 0.987 59.090 58.000 0.171 0.000 1.340 533 F CB -1.159 37.943 39.000 0.169 0.000 1.031 533 F HN 0.170 nan 8.300 nan 0.000 0.500 534 A N 0.377 123.393 122.820 0.328 0.000 1.917 534 A HA -0.162 4.157 4.320 -0.000 0.000 0.219 534 A C 2.588 180.275 177.584 0.172 0.000 1.182 534 A CA 1.924 54.139 52.037 0.296 0.000 0.633 534 A CB -1.602 17.630 19.000 0.386 0.000 0.819 534 A HN 0.401 nan 8.150 nan 0.000 0.448 535 G N -2.522 106.302 108.800 0.040 0.000 2.471 535 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.219 535 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.219 535 G C 1.321 176.090 174.900 -0.219 0.000 1.125 535 G CA 0.717 45.729 45.100 -0.147 0.000 0.775 535 G HN 0.692 nan 8.290 nan 0.000 0.548 536 W N -0.157 121.076 121.300 -0.112 0.000 2.584 536 W HA 0.046 4.706 4.660 -0.001 0.000 0.264 536 W C 2.523 179.045 176.519 0.004 0.000 1.264 536 W CA -0.113 57.188 57.345 -0.073 0.000 1.306 536 W CB -0.082 29.362 29.460 -0.026 0.000 1.110 536 W HN 0.144 nan 8.180 nan 0.000 0.606 537 C N 0.722 120.173 119.300 0.251 0.000 2.398 537 C HA -0.242 4.217 4.460 -0.000 0.000 0.276 537 C C 1.971 177.035 174.990 0.123 0.000 1.222 537 C CA 1.844 60.965 59.018 0.170 0.000 1.746 537 C CB -1.261 26.540 27.740 0.103 0.000 2.039 537 C HN 0.461 nan 8.230 nan 0.000 0.470 538 D N -0.190 120.261 120.400 0.085 0.000 2.336 538 D HA 0.007 4.647 4.640 -0.000 0.000 0.228 538 D C 0.960 177.305 176.300 0.076 0.000 1.120 538 D CA 0.374 54.407 54.000 0.055 0.000 0.839 538 D CB -0.592 40.217 40.800 0.014 0.000 0.932 538 D HN 0.465 nan 8.370 nan 0.000 0.509 539 K N -0.112 120.383 120.400 0.157 0.000 2.447 539 K HA 0.301 4.620 4.320 -0.000 0.000 0.205 539 K C 0.163 176.970 176.600 0.346 0.000 1.059 539 K CA -0.327 56.089 56.287 0.216 0.000 1.065 539 K CB 1.243 33.819 32.500 0.125 0.000 0.885 539 K HN 0.111 nan 8.250 nan 0.000 0.545 540 I N 2.629 123.353 120.570 0.256 0.000 2.379 540 I HA 0.038 4.208 4.170 -0.000 0.000 0.290 540 I C -0.183 175.995 176.117 0.101 0.000 1.063 540 I CA 0.213 61.603 61.300 0.150 0.000 1.351 540 I CB 0.610 38.672 38.000 0.102 0.000 1.410 540 I HN 0.031 nan 8.210 nan 0.000 0.505 541 Q N 4.238 124.088 119.800 0.083 0.000 2.375 541 Q HA 0.531 4.871 4.340 -0.000 0.000 0.271 541 Q C 0.130 176.158 176.000 0.046 0.000 1.074 541 Q CA -0.720 55.122 55.803 0.066 0.000 0.808 541 Q CB 2.668 31.451 28.738 0.075 0.000 1.327 541 Q HN 0.767 nan 8.270 nan 0.000 0.441 542 G N 0.501 109.326 108.800 0.042 0.000 2.574 542 G HA2 0.749 4.709 3.960 -0.000 0.000 0.248 542 G HA3 0.749 4.709 3.960 -0.000 0.000 0.248 542 G C -1.067 173.855 174.900 0.037 0.000 1.422 542 G CA -0.188 44.934 45.100 0.037 0.000 1.051 542 G HN 0.627 nan 8.290 nan 0.000 0.560 543 A N -1.256 121.586 122.820 0.037 0.000 2.469 543 A HA 0.821 5.141 4.320 -0.000 0.000 0.299 543 A C -0.121 177.487 177.584 0.040 0.000 1.098 543 A CA -0.097 51.961 52.037 0.035 0.000 0.737 543 A CB 1.527 20.545 19.000 0.031 0.000 1.312 543 A HN 1.393 nan 8.150 nan 0.000 0.414 544 T N -0.739 113.836 114.554 0.035 0.000 2.829 544 T HA 0.745 5.095 4.350 -0.000 0.000 0.280 544 T C -0.602 174.120 174.700 0.036 0.000 0.999 544 T CA -0.320 61.803 62.100 0.039 0.000 0.983 544 T CB 0.582 69.466 68.868 0.026 0.000 0.968 544 T HN 0.456 nan 8.240 nan 0.000 0.446 545 I N 4.245 124.842 120.570 0.045 0.000 2.466 545 I HA 0.369 4.538 4.170 -0.000 0.000 0.289 545 I C -2.164 173.976 176.117 0.039 0.000 1.026 545 I CA -2.762 58.561 61.300 0.038 0.000 1.078 545 I CB 2.950 40.974 38.000 0.039 0.000 1.249 545 I HN 0.500 nan 8.210 nan 0.000 0.429 546 P HA 0.135 nan 4.420 nan 0.000 0.231 546 P C -0.220 177.094 177.300 0.023 0.000 1.811 546 P CA -0.202 62.914 63.100 0.026 0.000 1.051 546 P CB -0.397 31.314 31.700 0.019 0.000 1.951 547 I N -0.938 119.650 120.570 0.030 0.000 3.004 547 I HA 0.275 4.444 4.170 -0.000 0.000 0.287 547 I C 0.203 176.328 176.117 0.015 0.000 1.144 547 I CA -0.540 60.774 61.300 0.024 0.000 1.353 547 I CB -0.508 37.512 38.000 0.034 0.000 1.417 547 I HN -0.070 nan 8.210 nan 0.000 0.602 548 N N 3.153 121.858 118.700 0.008 0.000 2.454 548 N HA 0.041 4.781 4.740 -0.000 0.000 0.254 548 N C -0.208 175.299 175.510 -0.005 0.000 1.228 548 N CA -0.005 53.045 53.050 -0.000 0.000 0.900 548 N CB 0.310 38.796 38.487 -0.002 0.000 1.089 548 N HN 0.465 nan 8.380 nan 0.000 0.449 549 Q N 0.637 120.427 119.800 -0.018 0.000 2.241 549 Q HA 0.380 4.720 4.340 -0.000 0.000 0.254 549 Q C -0.401 175.577 176.000 -0.038 0.000 0.917 549 Q CA -0.554 55.227 55.803 -0.037 0.000 0.919 549 Q CB 1.347 30.052 28.738 -0.055 0.000 1.237 549 Q HN 0.595 nan 8.270 nan 0.000 0.434 550 A N 4.298 127.092 122.820 -0.044 0.000 3.048 550 A HA 0.100 4.420 4.320 -0.000 0.000 0.264 550 A C 0.221 177.777 177.584 -0.046 0.000 1.796 550 A CA -0.365 51.651 52.037 -0.036 0.000 1.445 550 A CB -0.259 18.725 19.000 -0.027 0.000 1.074 550 A HN 0.349 nan 8.150 nan 0.000 0.621 551 R N 1.489 121.963 120.500 -0.044 0.000 2.640 551 R HA 0.078 4.418 4.340 -0.000 0.000 0.270 551 R C -1.454 174.825 176.300 -0.035 0.000 1.024 551 R CA -1.458 54.616 56.100 -0.045 0.000 1.085 551 R CB -0.116 30.163 30.300 -0.035 0.000 0.963 551 R HN 0.447 nan 8.270 nan 0.000 0.426 552 P HA 0.022 nan 4.420 nan 0.000 0.249 552 P C -0.465 176.796 177.300 -0.065 0.000 1.241 552 P CA 0.229 63.304 63.100 -0.042 0.000 0.781 552 P CB 0.407 32.090 31.700 -0.029 0.000 1.088 553 N N 1.057 119.711 118.700 -0.078 0.000 2.413 553 N HA 0.279 5.018 4.740 -0.000 0.000 0.266 553 N C 0.388 175.776 175.510 -0.204 0.000 1.238 553 N CA -0.339 52.635 53.050 -0.126 0.000 0.972 553 N CB 1.194 39.627 38.487 -0.091 0.000 1.210 553 N HN 0.016 nan 8.380 nan 0.000 0.547 554 R N 0.144 120.409 120.500 -0.392 0.000 2.832 554 R HA 0.469 4.809 4.340 -0.000 0.000 0.271 554 R C -0.805 175.183 176.300 -0.519 0.000 0.996 554 R CA -0.689 55.071 56.100 -0.566 0.000 0.977 554 R CB 1.173 30.856 30.300 -1.029 0.000 1.168 554 R HN 0.585 nan 8.270 nan 0.000 0.482 555 N N 0.232 118.782 118.700 -0.250 0.000 2.242 555 N HA 0.436 5.176 4.740 -0.000 0.000 0.292 555 N C -1.912 173.724 175.510 0.210 0.000 1.125 555 N CA -0.725 52.346 53.050 0.035 0.000 0.783 555 N CB 2.058 40.572 38.487 0.046 0.000 1.558 555 N HN 0.192 nan 8.380 nan 0.000 0.472 556 L N 0.854 122.288 121.223 0.352 0.000 2.385 556 L HA 0.705 5.045 4.340 -0.000 0.000 0.273 556 L C -1.200 175.850 176.870 0.301 0.000 0.990 556 L CA -0.006 54.985 54.840 0.251 0.000 0.821 556 L CB 1.931 44.014 42.059 0.040 0.000 1.279 556 L HN 0.537 nan 8.230 nan 0.000 0.412 557 T N 6.308 120.979 114.554 0.196 0.000 2.841 557 T HA 0.748 5.098 4.350 -0.000 0.000 0.285 557 T C -0.931 173.856 174.700 0.145 0.000 0.991 557 T CA -0.328 61.882 62.100 0.184 0.000 0.966 557 T CB 1.196 70.132 68.868 0.114 0.000 0.962 557 T HN 0.642 nan 8.240 nan 0.000 0.438 558 L N 0.823 122.146 121.223 0.166 0.000 2.359 558 L HA 1.020 5.359 4.340 -0.000 0.000 0.256 558 L C -0.095 176.831 176.870 0.093 0.000 1.026 558 L CA -0.892 54.020 54.840 0.120 0.000 0.828 558 L CB 1.434 43.577 42.059 0.140 0.000 1.406 558 L HN 0.601 nan 8.230 nan 0.000 0.413 559 T N -1.804 112.791 114.554 0.068 0.000 2.885 559 T HA 0.648 4.998 4.350 -0.000 0.000 0.285 559 T C -0.736 173.994 174.700 0.051 0.000 1.019 559 T CA -0.742 61.389 62.100 0.052 0.000 1.010 559 T CB 1.697 70.587 68.868 0.037 0.000 1.022 559 T HN 0.899 nan 8.240 nan 0.000 0.466 560 K N 1.802 122.229 120.400 0.045 0.000 2.413 560 K HA 0.338 4.657 4.320 -0.000 0.000 0.257 560 K C -0.621 176.003 176.600 0.040 0.000 0.946 560 K CA -0.849 55.464 56.287 0.044 0.000 0.823 560 K CB 0.880 33.406 32.500 0.044 0.000 1.109 560 K HN 0.461 nan 8.250 nan 0.000 0.427 561 K N 3.537 123.961 120.400 0.041 0.000 2.297 561 K HA 0.190 4.510 4.320 -0.000 0.000 0.286 561 K C -0.528 176.104 176.600 0.054 0.000 1.053 561 K CA -0.047 56.266 56.287 0.042 0.000 0.940 561 K CB 1.272 33.794 32.500 0.037 0.000 1.019 561 K HN 0.670 nan 8.250 nan 0.000 0.475 562 E N 2.858 123.098 120.200 0.066 0.000 2.336 562 E HA 0.358 4.708 4.350 -0.000 0.000 0.267 562 E C -2.521 174.153 176.600 0.125 0.000 0.906 562 E CA -2.291 54.165 56.400 0.094 0.000 0.781 562 E CB 1.945 31.701 29.700 0.095 0.000 1.261 562 E HN 0.226 nan 8.360 nan 0.000 0.436 563 P HA -0.072 nan 4.420 nan 0.000 0.270 563 P C 0.846 178.237 177.300 0.151 0.000 1.223 563 P CA -0.128 63.101 63.100 0.215 0.000 0.785 563 P CB 0.561 32.503 31.700 0.403 0.000 0.923 564 V N -0.883 119.068 119.914 0.062 0.000 2.591 564 V HA 0.295 4.414 4.120 -0.000 0.000 0.249 564 V C 1.058 177.050 176.094 -0.170 0.000 1.053 564 V CA 1.585 63.880 62.300 -0.010 0.000 1.068 564 V CB -1.546 30.279 31.823 0.004 0.000 0.689 564 V HN 0.861 nan 8.190 nan 0.000 0.462 565 G N -0.314 108.199 108.800 -0.478 0.000 2.317 565 G HA2 -0.076 3.883 3.960 -0.000 0.000 0.196 565 G HA3 -0.076 3.883 3.960 -0.000 0.000 0.196 565 G C -0.570 173.909 174.900 -0.702 0.000 1.255 565 G CA -0.344 44.070 45.100 -1.143 0.000 1.243 565 G HN 0.723 nan 8.290 nan 0.000 0.535 566 V N 0.891 120.545 119.914 -0.433 0.000 2.508 566 V HA 0.422 4.542 4.120 -0.000 0.000 0.281 566 V C 0.645 176.675 176.094 -0.107 0.000 1.041 566 V CA -0.020 62.154 62.300 -0.211 0.000 1.016 566 V CB 0.295 32.036 31.823 -0.135 0.000 0.984 566 V HN 0.858 nan 8.190 nan 0.000 0.478 567 C N 4.050 123.323 119.300 -0.044 0.000 2.493 567 C HA 0.844 5.304 4.460 -0.000 0.000 0.326 567 C C 0.797 175.809 174.990 0.037 0.000 1.200 567 C CA -0.776 58.265 59.018 0.038 0.000 1.739 567 C CB 1.118 28.950 27.740 0.153 0.000 2.300 567 C HN 1.027 nan 8.230 nan 0.000 0.500 568 G N 1.815 110.650 108.800 0.058 0.000 2.416 568 G HA2 0.732 4.692 3.960 -0.000 0.000 0.324 568 G HA3 0.732 4.692 3.960 -0.000 0.000 0.324 568 G C -0.895 174.065 174.900 0.100 0.000 1.194 568 G CA -0.401 44.736 45.100 0.061 0.000 0.922 568 G HN 0.933 nan 8.290 nan 0.000 0.467 569 I N -0.215 120.411 120.570 0.093 0.000 2.498 569 I HA 0.741 4.911 4.170 -0.000 0.000 0.290 569 I C -1.145 175.018 176.117 0.078 0.000 1.032 569 I CA -1.258 60.102 61.300 0.101 0.000 1.073 569 I CB 2.471 40.528 38.000 0.095 0.000 1.251 569 I HN 0.154 nan 8.210 nan 0.000 0.426 570 V N 6.685 126.646 119.914 0.077 0.000 2.384 570 V HA 0.487 4.607 4.120 -0.000 0.000 0.287 570 V C -0.013 176.017 176.094 -0.107 0.000 1.020 570 V CA -0.481 61.844 62.300 0.042 0.000 0.850 570 V CB 1.556 33.499 31.823 0.200 0.000 0.987 570 V HN 0.494 nan 8.190 nan 0.000 0.436 571 I N 7.412 127.928 120.570 -0.089 0.000 2.404 571 I HA 0.520 4.690 4.170 -0.000 0.000 0.293 571 I C -2.045 173.985 176.117 -0.145 0.000 0.992 571 I CA -2.686 58.537 61.300 -0.127 0.000 1.149 571 I CB 1.770 39.727 38.000 -0.072 0.000 1.315 571 I HN 0.405 nan 8.210 nan 0.000 0.446 572 P HA 0.165 nan 4.420 nan 0.000 0.279 572 P C 0.427 177.653 177.300 -0.123 0.000 1.282 572 P CA -0.237 62.701 63.100 -0.269 0.000 0.788 572 P CB 0.857 32.301 31.700 -0.426 0.000 1.139 573 W N 0.655 121.929 121.300 -0.043 0.000 3.211 573 W HA 0.041 4.700 4.660 -0.000 0.000 0.292 573 W C 0.979 177.499 176.519 0.003 0.000 1.268 573 W CA 0.155 57.492 57.345 -0.012 0.000 1.702 573 W CB -1.528 27.924 29.460 -0.012 0.000 1.092 573 W HN 0.253 nan 8.180 nan 0.000 0.643 574 N N 2.224 120.844 118.700 -0.133 0.000 2.135 574 N HA -0.215 4.525 4.740 -0.000 0.000 0.186 574 N C -0.302 175.009 175.510 -0.332 0.000 1.027 574 N CA 1.130 54.058 53.050 -0.204 0.000 0.849 574 N CB -1.207 37.064 38.487 -0.361 0.000 1.002 574 N HN 0.187 nan 8.380 nan 0.000 0.425 575 Y N -0.144 120.072 120.300 -0.139 0.000 2.705 575 Y HA 0.452 5.002 4.550 -0.000 0.000 0.355 575 Y C -1.828 173.991 175.900 -0.135 0.000 1.039 575 Y CA -2.151 55.837 58.100 -0.186 0.000 1.233 575 Y CB 2.003 40.153 38.460 -0.516 0.000 1.103 575 Y HN -0.022 nan 8.280 nan 0.000 0.624 576 P HA -0.235 nan 4.420 nan 0.000 0.213 576 P C 1.828 179.127 177.300 -0.002 0.000 1.170 576 P CA 1.176 64.310 63.100 0.058 0.000 0.902 576 P CB 0.478 32.240 31.700 0.104 0.000 0.789 577 L N -1.790 119.456 121.223 0.039 0.000 2.093 577 L HA -0.035 4.304 4.340 -0.000 0.000 0.208 577 L C 2.423 179.239 176.870 -0.090 0.000 1.085 577 L CA 1.747 56.578 54.840 -0.016 0.000 0.755 577 L CB -1.074 41.020 42.059 0.059 0.000 0.904 577 L HN -0.122 nan 8.230 nan 0.000 0.435 578 M N -1.739 117.787 119.600 -0.123 0.000 2.099 578 M HA -0.216 4.264 4.480 -0.000 0.000 0.262 578 M C 2.036 177.976 176.300 -0.599 0.000 1.067 578 M CA 1.676 56.784 55.300 -0.321 0.000 1.124 578 M CB -0.003 32.317 32.600 -0.466 0.000 1.353 578 M HN 0.257 nan 8.290 nan 0.000 0.410 579 M N -0.055 119.195 119.600 -0.583 0.000 2.159 579 M HA -0.163 4.316 4.480 -0.000 0.000 0.263 579 M C 2.226 178.367 176.300 -0.264 0.000 1.063 579 M CA 1.441 56.405 55.300 -0.559 0.000 1.110 579 M CB -1.509 30.849 32.600 -0.403 0.000 1.374 579 M HN 0.434 nan 8.290 nan 0.000 0.411 580 L N -0.172 120.926 121.223 -0.209 0.000 2.012 580 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 580 L C 2.438 179.200 176.870 -0.180 0.000 1.073 580 L CA 1.469 56.200 54.840 -0.181 0.000 0.748 580 L CB -0.245 41.678 42.059 -0.227 0.000 0.891 580 L HN 0.200 nan 8.230 nan 0.000 0.431 581 S N -0.837 114.767 115.700 -0.160 0.000 2.356 581 S HA -0.182 4.288 4.470 -0.000 0.000 0.223 581 S C 1.441 175.972 174.600 -0.116 0.000 1.032 581 S CA 1.392 59.528 58.200 -0.107 0.000 1.005 581 S CB -0.519 62.733 63.200 0.086 0.000 0.867 581 S HN 0.541 nan 8.310 nan 0.000 0.449 582 W N 2.251 123.405 121.300 -0.243 0.000 2.301 582 W HA -0.126 4.534 4.660 -0.000 0.000 0.325 582 W C 2.314 178.677 176.519 -0.260 0.000 1.250 582 W CA 0.864 58.084 57.345 -0.208 0.000 1.261 582 W CB -0.964 28.376 29.460 -0.199 0.000 1.157 582 W HN 0.310 nan 8.180 nan 0.000 0.473 583 K N -1.350 119.075 120.400 0.041 0.000 2.062 583 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 583 K C 1.923 178.384 176.600 -0.232 0.000 1.051 583 K CA 1.846 58.112 56.287 -0.035 0.000 0.941 583 K CB -0.817 31.715 32.500 0.054 0.000 0.719 583 K HN 0.051 nan 8.250 nan 0.000 0.440 584 T N 1.396 115.834 114.554 -0.193 0.000 2.777 584 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 584 T C 2.029 176.590 174.700 -0.232 0.000 1.040 584 T CA 1.348 63.361 62.100 -0.145 0.000 1.141 584 T CB -0.203 68.680 68.868 0.026 0.000 0.868 584 T HN 0.308 nan 8.240 nan 0.000 0.444 585 A N 1.482 123.990 122.820 -0.521 0.000 1.877 585 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 585 A C 2.639 179.916 177.584 -0.512 0.000 1.186 585 A CA 1.854 53.535 52.037 -0.595 0.000 0.620 585 A CB -1.117 17.363 19.000 -0.866 0.000 0.822 585 A HN 0.502 nan 8.150 nan 0.000 0.443 586 A N -1.142 121.111 122.820 -0.944 0.000 1.898 586 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 586 A C 2.410 179.561 177.584 -0.721 0.000 1.181 586 A CA 1.654 53.031 52.037 -1.099 0.000 0.620 586 A CB -1.431 16.937 19.000 -1.053 0.000 0.819 586 A HN 0.809 nan 8.150 nan 0.000 0.442 587 C N -0.298 118.392 119.300 -1.016 0.000 2.413 587 C HA -0.083 4.376 4.460 -0.000 0.000 0.277 587 C C 2.628 177.453 174.990 -0.275 0.000 1.228 587 C CA 1.330 59.703 59.018 -1.076 0.000 1.731 587 C CB -1.511 25.683 27.740 -0.910 0.000 2.042 587 C HN 0.583 nan 8.230 nan 0.000 0.468 588 L N 1.098 122.281 121.223 -0.067 0.000 2.056 588 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 588 L C 3.051 180.146 176.870 0.374 0.000 1.078 588 L CA 1.558 56.580 54.840 0.303 0.000 0.749 588 L CB -0.947 41.337 42.059 0.374 0.000 0.901 588 L HN 0.457 nan 8.230 nan 0.000 0.433 589 A N 0.293 123.229 122.820 0.193 0.000 1.978 589 A HA -0.152 4.167 4.320 -0.000 0.000 0.220 589 A C 2.366 180.039 177.584 0.148 0.000 1.170 589 A CA 1.710 53.871 52.037 0.207 0.000 0.636 589 A CB -0.538 18.615 19.000 0.255 0.000 0.810 589 A HN 0.409 nan 8.150 nan 0.000 0.448 590 A N -2.060 120.822 122.820 0.103 0.000 2.235 590 A HA 0.404 4.724 4.320 -0.000 0.000 0.208 590 A C 1.762 179.437 177.584 0.150 0.000 1.172 590 A CA 1.241 53.345 52.037 0.112 0.000 0.786 590 A CB -0.821 18.249 19.000 0.116 0.000 0.804 590 A HN 1.890 nan 8.150 nan 0.000 0.479 591 G N -0.915 108.008 108.800 0.204 0.000 2.159 591 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.227 591 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.227 591 G C -0.001 175.230 174.900 0.550 0.000 0.986 591 G CA 0.044 45.284 45.100 0.234 0.000 0.651 591 G HN 0.495 nan 8.290 nan 0.000 0.523 592 N N 0.650 119.617 118.700 0.445 0.000 2.379 592 N HA 0.570 5.309 4.740 -0.000 0.000 0.260 592 N C 0.614 176.324 175.510 0.333 0.000 1.254 592 N CA 0.846 54.069 53.050 0.288 0.000 0.958 592 N CB 0.896 39.436 38.487 0.089 0.000 1.208 592 N HN 0.568 nan 8.380 nan 0.000 0.532 593 T N -3.302 111.316 114.554 0.106 0.000 2.942 593 T HA 0.669 5.019 4.350 -0.000 0.000 0.289 593 T C -0.411 174.267 174.700 -0.037 0.000 1.044 593 T CA -0.782 61.318 62.100 0.000 0.000 1.023 593 T CB 1.571 70.460 68.868 0.035 0.000 1.123 593 T HN 0.230 nan 8.240 nan 0.000 0.512 594 V N 0.671 120.557 119.914 -0.047 0.000 2.971 594 V HA 0.672 4.792 4.120 -0.000 0.000 0.309 594 V C -1.471 174.620 176.094 -0.006 0.000 1.130 594 V CA -0.728 61.562 62.300 -0.016 0.000 0.964 594 V CB 2.328 34.151 31.823 0.001 0.000 1.029 594 V HN 0.986 nan 8.190 nan 0.000 0.427 595 V N 7.149 127.065 119.914 0.003 0.000 2.384 595 V HA 0.560 4.680 4.120 -0.000 0.000 0.287 595 V C -0.202 175.919 176.094 0.044 0.000 1.020 595 V CA -0.399 61.910 62.300 0.016 0.000 0.850 595 V CB 1.501 33.316 31.823 -0.013 0.000 0.987 595 V HN 0.671 nan 8.190 nan 0.000 0.436 596 I N 4.562 125.171 120.570 0.066 0.000 2.377 596 I HA 0.486 4.655 4.170 -0.000 0.000 0.293 596 I C -0.139 176.023 176.117 0.075 0.000 0.987 596 I CA -0.761 60.581 61.300 0.070 0.000 1.185 596 I CB 1.808 39.856 38.000 0.080 0.000 1.341 596 I HN 0.421 nan 8.210 nan 0.000 0.455 597 K N 9.519 129.959 120.400 0.067 0.000 2.414 597 K HA 0.455 4.774 4.320 -0.000 0.000 0.251 597 K C -2.632 174.004 176.600 0.061 0.000 1.037 597 K CA -2.309 54.021 56.287 0.072 0.000 0.980 597 K CB 0.842 33.389 32.500 0.077 0.000 1.280 597 K HN 0.120 nan 8.250 nan 0.000 0.451 598 P HA 0.142 nan 4.420 nan 0.000 0.274 598 P C -0.623 176.724 177.300 0.077 0.000 1.237 598 P CA -0.540 62.600 63.100 0.066 0.000 0.793 598 P CB 0.860 32.615 31.700 0.090 0.000 0.977 599 A N 1.695 124.566 122.820 0.085 0.000 2.561 599 A HA -0.081 4.238 4.320 -0.000 0.000 0.234 599 A C 1.766 179.397 177.584 0.078 0.000 1.055 599 A CA 0.168 52.271 52.037 0.110 0.000 0.756 599 A CB -0.579 18.559 19.000 0.230 0.000 0.986 599 A HN 0.710 nan 8.150 nan 0.000 0.505 600 Q N 1.554 121.353 119.800 -0.000 0.000 2.112 600 Q HA -0.195 4.144 4.340 -0.000 0.000 0.206 600 Q C 1.598 177.614 176.000 0.026 0.000 0.987 600 Q CA 2.640 58.391 55.803 -0.086 0.000 0.858 600 Q CB -0.356 28.207 28.738 -0.291 0.000 0.905 600 Q HN 0.999 nan 8.270 nan 0.000 0.420 601 V N -1.974 117.890 119.914 -0.083 0.000 3.141 601 V HA 0.016 4.136 4.120 -0.000 0.000 0.265 601 V C 0.926 177.031 176.094 0.018 0.000 1.126 601 V CA 1.189 63.417 62.300 -0.120 0.000 1.141 601 V CB -0.445 31.060 31.823 -0.531 0.000 0.743 601 V HN 0.435 nan 8.190 nan 0.000 0.492 602 T N -2.251 112.358 114.554 0.092 0.000 3.542 602 T HA 0.462 4.812 4.350 -0.000 0.000 0.276 602 T C -1.614 173.162 174.700 0.127 0.000 1.412 602 T CA -0.654 61.517 62.100 0.117 0.000 1.664 602 T CB 1.293 70.252 68.868 0.152 0.000 0.863 602 T HN 0.356 nan 8.240 nan 0.000 0.661 603 P HA 0.189 nan 4.420 nan 0.000 0.230 603 P C 1.487 178.858 177.300 0.120 0.000 1.168 603 P CA -0.005 63.184 63.100 0.148 0.000 0.793 603 P CB 0.352 32.166 31.700 0.190 0.000 0.851 604 L N 0.283 121.564 121.223 0.097 0.000 2.072 604 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 604 L C 2.719 179.644 176.870 0.092 0.000 1.079 604 L CA 2.257 57.148 54.840 0.086 0.000 0.752 604 L CB -1.733 40.364 42.059 0.064 0.000 0.906 604 L HN 0.087 nan 8.230 nan 0.000 0.436 605 T N -2.425 112.184 114.554 0.092 0.000 2.867 605 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 605 T C 1.971 176.748 174.700 0.128 0.000 1.057 605 T CA 0.824 62.985 62.100 0.101 0.000 1.136 605 T CB -0.286 68.638 68.868 0.094 0.000 0.874 605 T HN 0.286 nan 8.240 nan 0.000 0.466 606 A N 1.935 124.825 122.820 0.116 0.000 1.902 606 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 606 A C 2.427 180.128 177.584 0.196 0.000 1.181 606 A CA 1.395 53.517 52.037 0.142 0.000 0.623 606 A CB -0.897 18.169 19.000 0.109 0.000 0.818 606 A HN 0.549 nan 8.150 nan 0.000 0.443 607 L N -1.188 120.133 121.223 0.163 0.000 2.109 607 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 607 L C 2.558 179.507 176.870 0.132 0.000 1.086 607 L CA 1.598 56.549 54.840 0.185 0.000 0.760 607 L CB -0.386 41.783 42.059 0.183 0.000 0.910 607 L HN 0.300 nan 8.230 nan 0.000 0.437 608 K N 0.669 121.125 120.400 0.094 0.000 2.057 608 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 608 K C 1.989 178.595 176.600 0.010 0.000 1.050 608 K CA 1.463 57.775 56.287 0.043 0.000 0.935 608 K CB -0.543 31.985 32.500 0.047 0.000 0.715 608 K HN 0.126 nan 8.250 nan 0.000 0.439 609 F N 0.793 120.697 119.950 -0.076 0.000 2.120 609 F HA -0.215 4.312 4.527 -0.000 0.000 0.300 609 F C 1.832 177.506 175.800 -0.211 0.000 1.095 609 F CA 1.866 59.792 58.000 -0.124 0.000 1.249 609 F CB -0.727 38.234 39.000 -0.065 0.000 0.995 609 F HN 0.085 nan 8.300 nan 0.000 0.480 610 A N 0.051 122.703 122.820 -0.280 0.000 1.892 610 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 610 A C 2.284 179.358 177.584 -0.850 0.000 1.188 610 A CA 2.004 53.548 52.037 -0.820 0.000 0.631 610 A CB -1.195 17.168 19.000 -1.062 0.000 0.822 610 A HN 0.627 nan 8.150 nan 0.000 0.447 611 E N -0.122 119.892 120.200 -0.309 0.000 2.110 611 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 611 E C 1.906 178.366 176.600 -0.232 0.000 0.988 611 E CA 1.115 57.460 56.400 -0.092 0.000 0.804 611 E CB -0.217 29.520 29.700 0.063 0.000 0.745 611 E HN 0.661 nan 8.360 nan 0.000 0.458 612 L N 0.808 121.812 121.223 -0.365 0.000 2.191 612 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 612 L C 2.892 179.507 176.870 -0.424 0.000 1.103 612 L CA 1.575 56.166 54.840 -0.414 0.000 0.769 612 L CB -0.961 40.824 42.059 -0.458 0.000 0.908 612 L HN 0.349 nan 8.230 nan 0.000 0.438 613 T N -1.903 112.306 114.554 -0.575 0.000 2.833 613 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 613 T C 1.842 176.419 174.700 -0.204 0.000 1.054 613 T CA 0.870 62.702 62.100 -0.447 0.000 1.135 613 T CB -0.421 68.154 68.868 -0.487 0.000 0.869 613 T HN 0.245 nan 8.240 nan 0.000 0.466 614 L N 0.425 121.563 121.223 -0.141 0.000 2.017 614 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 614 L C 3.050 179.904 176.870 -0.027 0.000 1.073 614 L CA 1.576 56.404 54.840 -0.020 0.000 0.745 614 L CB -0.498 41.595 42.059 0.056 0.000 0.894 614 L HN 0.234 nan 8.230 nan 0.000 0.432 615 K N 0.214 120.580 120.400 -0.057 0.000 2.147 615 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 615 K C 2.016 178.602 176.600 -0.023 0.000 1.049 615 K CA 1.347 57.618 56.287 -0.026 0.000 0.936 615 K CB -0.206 32.272 32.500 -0.036 0.000 0.722 615 K HN 0.291 nan 8.250 nan 0.000 0.446 616 A N 0.456 123.238 122.820 -0.063 0.000 2.208 616 A HA 0.163 4.483 4.320 -0.000 0.000 0.209 616 A C 1.363 178.950 177.584 0.005 0.000 1.161 616 A CA 0.804 52.820 52.037 -0.035 0.000 0.782 616 A CB -0.251 18.697 19.000 -0.086 0.000 0.816 616 A HN 0.398 nan 8.150 nan 0.000 0.477 617 G N -0.351 108.450 108.800 0.002 0.000 2.160 617 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 617 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 617 G C -0.052 174.878 174.900 0.050 0.000 1.022 617 G CA 0.072 45.191 45.100 0.032 0.000 0.741 617 G HN 0.314 nan 8.290 nan 0.000 0.508 618 I N 1.011 121.584 120.570 0.006 0.000 2.598 618 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 618 I C -1.400 174.704 176.117 -0.023 0.000 1.140 618 I CA -2.616 58.673 61.300 -0.018 0.000 1.420 618 I CB -0.095 37.816 38.000 -0.149 0.000 1.387 618 I HN -0.070 nan 8.210 nan 0.000 0.553 619 P HA -0.015 nan 4.420 nan 0.000 0.265 619 P C -0.304 176.962 177.300 -0.057 0.000 1.187 619 P CA -0.157 62.957 63.100 0.023 0.000 0.766 619 P CB 0.377 32.146 31.700 0.116 0.000 0.820 620 K N 2.113 122.482 120.400 -0.051 0.000 2.524 620 K HA 0.240 4.560 4.320 -0.000 0.000 0.279 620 K C 1.623 178.148 176.600 -0.125 0.000 0.993 620 K CA 1.657 57.881 56.287 -0.106 0.000 1.030 620 K CB -1.006 31.433 32.500 -0.102 0.000 0.891 620 K HN 0.769 nan 8.250 nan 0.000 0.488 621 G N 0.785 109.474 108.800 -0.186 0.000 2.225 621 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 621 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 621 G C 0.987 175.801 174.900 -0.144 0.000 0.988 621 G CA 0.240 45.243 45.100 -0.162 0.000 0.625 621 G HN 0.370 nan 8.290 nan 0.000 0.527 622 V N -0.143 119.650 119.914 -0.201 0.000 2.427 622 V HA 0.085 4.205 4.120 -0.000 0.000 0.248 622 V C 1.471 177.428 176.094 -0.229 0.000 1.051 622 V CA 1.927 64.023 62.300 -0.340 0.000 1.048 622 V CB 0.170 31.548 31.823 -0.741 0.000 0.666 622 V HN 0.357 nan 8.190 nan 0.000 0.456 623 V N 1.657 121.500 119.914 -0.118 0.000 2.487 623 V HA 0.480 4.600 4.120 -0.000 0.000 0.298 623 V C -0.666 175.496 176.094 0.113 0.000 1.028 623 V CA -0.741 61.579 62.300 0.033 0.000 0.860 623 V CB 1.722 33.603 31.823 0.097 0.000 0.991 623 V HN 0.447 nan 8.190 nan 0.000 0.427 624 N N 5.241 124.000 118.700 0.099 0.000 2.225 624 N HA 0.665 5.405 4.740 -0.000 0.000 0.298 624 N C -1.380 174.222 175.510 0.154 0.000 1.076 624 N CA -0.492 52.610 53.050 0.087 0.000 0.792 624 N CB 3.143 41.604 38.487 -0.043 0.000 1.498 624 N HN 0.455 nan 8.380 nan 0.000 0.474 625 I N 1.982 122.674 120.570 0.203 0.000 2.499 625 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 625 I C -0.664 175.541 176.117 0.147 0.000 1.048 625 I CA -0.598 60.809 61.300 0.178 0.000 1.062 625 I CB 2.158 40.282 38.000 0.207 0.000 1.238 625 I HN 0.260 nan 8.210 nan 0.000 0.426 626 L N 7.813 129.108 121.223 0.119 0.000 2.445 626 L HA 0.384 4.723 4.340 -0.000 0.000 0.252 626 L C -2.340 174.604 176.870 0.125 0.000 1.105 626 L CA -1.639 53.266 54.840 0.109 0.000 0.943 626 L CB 1.083 43.188 42.059 0.076 0.000 1.277 626 L HN 0.258 nan 8.230 nan 0.000 0.465 627 P HA 0.369 nan 4.420 nan 0.000 0.272 627 P C 0.254 177.673 177.300 0.199 0.000 1.223 627 P CA 0.425 63.649 63.100 0.207 0.000 0.784 627 P CB 1.947 33.813 31.700 0.278 0.000 0.923 628 G N 0.257 109.125 108.800 0.113 0.000 2.347 628 G HA2 0.053 4.013 3.960 -0.000 0.000 0.224 628 G HA3 0.053 4.013 3.960 -0.000 0.000 0.224 628 G C -0.894 173.889 174.900 -0.194 0.000 1.318 628 G CA -0.179 44.880 45.100 -0.068 0.000 1.016 628 G HN 0.612 nan 8.290 nan 0.000 0.469 629 S N 0.599 116.209 115.700 -0.150 0.000 2.510 629 S HA 0.476 4.946 4.470 -0.000 0.000 0.279 629 S C 1.769 176.342 174.600 -0.045 0.000 1.284 629 S CA 0.944 59.071 58.200 -0.122 0.000 1.059 629 S CB 0.749 63.896 63.200 -0.089 0.000 0.901 629 S HN 1.950 nan 8.310 nan 0.000 0.491 630 G N 3.486 112.268 108.800 -0.030 0.000 2.418 630 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 630 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 630 G C 1.747 176.667 174.900 0.035 0.000 1.158 630 G CA 1.006 46.123 45.100 0.029 0.000 0.771 630 G HN 0.984 nan 8.290 nan 0.000 0.545 631 S N 0.478 116.184 115.700 0.010 0.000 2.356 631 S HA -0.058 4.412 4.470 -0.000 0.000 0.223 631 S C 2.349 176.953 174.600 0.006 0.000 1.032 631 S CA 1.278 59.480 58.200 0.004 0.000 1.005 631 S CB -0.483 62.708 63.200 -0.014 0.000 0.867 631 S HN 0.307 nan 8.310 nan 0.000 0.449 632 L N 1.145 122.369 121.223 0.002 0.000 1.976 632 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 632 L C 2.567 179.452 176.870 0.026 0.000 1.071 632 L CA 1.679 56.525 54.840 0.010 0.000 0.746 632 L CB -0.409 41.653 42.059 0.004 0.000 0.890 632 L HN 0.259 nan 8.230 nan 0.000 0.432 633 V N -0.052 119.882 119.914 0.032 0.000 2.323 633 V HA -0.155 3.965 4.120 -0.000 0.000 0.244 633 V C 2.628 178.758 176.094 0.058 0.000 1.041 633 V CA 1.726 64.054 62.300 0.047 0.000 1.025 633 V CB -1.385 30.468 31.823 0.051 0.000 0.656 633 V HN 0.653 nan 8.190 nan 0.000 0.451 634 G N -0.727 108.112 108.800 0.066 0.000 2.418 634 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.217 634 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.217 634 G C 1.537 176.468 174.900 0.052 0.000 1.158 634 G CA 1.152 46.300 45.100 0.080 0.000 0.771 634 G HN 0.498 nan 8.290 nan 0.000 0.545 635 Q N 0.307 120.128 119.800 0.036 0.000 2.050 635 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 635 Q C 2.545 178.569 176.000 0.040 0.000 0.980 635 Q CA 1.702 57.520 55.803 0.026 0.000 0.840 635 Q CB -0.292 28.454 28.738 0.014 0.000 0.898 635 Q HN 0.359 nan 8.270 nan 0.000 0.424 636 R N -0.223 120.307 120.500 0.051 0.000 2.075 636 R HA 0.008 4.347 4.340 -0.000 0.000 0.232 636 R C 2.118 178.485 176.300 0.112 0.000 1.126 636 R CA 1.433 57.578 56.100 0.074 0.000 0.963 636 R CB -0.701 29.646 30.300 0.078 0.000 0.858 636 R HN 0.429 nan 8.270 nan 0.000 0.435 637 L N 0.406 121.683 121.223 0.092 0.000 2.042 637 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 637 L C 2.389 179.314 176.870 0.091 0.000 1.076 637 L CA 1.871 56.764 54.840 0.087 0.000 0.749 637 L CB -0.627 41.469 42.059 0.063 0.000 0.893 637 L HN 0.387 nan 8.230 nan 0.000 0.432 638 S N -1.590 114.151 115.700 0.068 0.000 2.428 638 S HA -0.138 4.331 4.470 -0.000 0.000 0.230 638 S C 1.423 176.055 174.600 0.053 0.000 1.014 638 S CA 1.065 59.295 58.200 0.050 0.000 0.957 638 S CB -0.252 62.961 63.200 0.021 0.000 0.784 638 S HN 0.365 nan 8.310 nan 0.000 0.499 639 D N 0.361 120.798 120.400 0.061 0.000 2.333 639 D HA 0.065 4.704 4.640 -0.000 0.000 0.208 639 D C 0.477 176.808 176.300 0.052 0.000 0.984 639 D CA 0.418 54.443 54.000 0.041 0.000 0.873 639 D CB -0.405 40.408 40.800 0.021 0.000 0.935 639 D HN 0.481 nan 8.370 nan 0.000 0.521 640 H N 2.004 121.079 119.070 0.010 0.000 2.803 640 H HA 0.024 4.580 4.556 -0.000 0.000 0.330 640 H C -1.507 173.826 175.328 0.008 0.000 1.057 640 H CA -1.107 54.947 56.048 0.009 0.000 1.458 640 H CB 1.711 31.480 29.762 0.011 0.000 1.470 640 H HN -0.081 nan 8.280 nan 0.000 0.560 641 P HA -0.070 nan 4.420 nan 0.000 0.226 641 P C 0.353 177.756 177.300 0.172 0.000 1.153 641 P CA 0.845 63.985 63.100 0.066 0.000 0.777 641 P CB 0.618 32.301 31.700 -0.029 0.000 0.794 642 D N -0.823 119.814 120.400 0.396 0.000 2.379 642 D HA 0.068 4.708 4.640 -0.000 0.000 0.208 642 D C 0.480 176.824 176.300 0.073 0.000 1.065 642 D CA 0.167 54.289 54.000 0.203 0.000 0.848 642 D CB 0.631 41.548 40.800 0.194 0.000 0.949 642 D HN 0.029 nan 8.370 nan 0.000 0.509 643 V N 1.925 121.890 119.914 0.086 0.000 2.530 643 V HA 0.156 4.276 4.120 -0.000 0.000 0.282 643 V C 1.330 177.435 176.094 0.019 0.000 1.048 643 V CA -0.113 62.190 62.300 0.005 0.000 0.997 643 V CB 2.045 33.873 31.823 0.009 0.000 0.987 643 V HN -0.059 nan 8.190 nan 0.000 0.477 644 R N 2.457 122.949 120.500 -0.014 0.000 2.373 644 R HA 0.321 4.661 4.340 -0.000 0.000 0.221 644 R C 0.336 176.631 176.300 -0.008 0.000 0.893 644 R CA 0.040 56.133 56.100 -0.013 0.000 1.049 644 R CB 0.425 30.701 30.300 -0.040 0.000 1.119 644 R HN 0.536 nan 8.270 nan 0.000 0.535 645 K N 0.955 121.356 120.400 0.001 0.000 2.557 645 K HA 0.294 4.614 4.320 -0.000 0.000 0.257 645 K C -1.567 175.053 176.600 0.033 0.000 0.933 645 K CA -0.466 55.823 56.287 0.003 0.000 0.820 645 K CB 1.853 34.340 32.500 -0.022 0.000 1.330 645 K HN -0.171 nan 8.250 nan 0.000 0.432 646 I N 2.133 122.726 120.570 0.039 0.000 2.433 646 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 646 I C 0.462 176.630 176.117 0.085 0.000 1.001 646 I CA -0.582 60.764 61.300 0.078 0.000 1.119 646 I CB 1.571 39.621 38.000 0.083 0.000 1.289 646 I HN 0.724 nan 8.210 nan 0.000 0.438 647 G N 5.757 114.632 108.800 0.124 0.000 2.422 647 G HA2 0.552 4.512 3.960 -0.000 0.000 0.317 647 G HA3 0.552 4.512 3.960 -0.000 0.000 0.317 647 G C -1.535 173.472 174.900 0.178 0.000 1.210 647 G CA -0.280 44.896 45.100 0.128 0.000 0.930 647 G HN 0.374 nan 8.290 nan 0.000 0.468 648 F N 2.488 122.442 119.950 0.008 0.000 2.518 648 F HA 0.692 5.219 4.527 -0.000 0.000 0.323 648 F C -0.323 175.465 175.800 -0.019 0.000 1.129 648 F CA -0.522 57.475 58.000 -0.006 0.000 0.920 648 F CB 2.471 41.461 39.000 -0.018 0.000 1.160 648 F HN 0.338 nan 8.300 nan 0.000 0.440 649 T N 4.702 118.756 114.554 -0.835 0.000 2.841 649 T HA 0.805 5.155 4.350 -0.000 0.000 0.285 649 T C -0.142 173.879 174.700 -1.133 0.000 0.991 649 T CA -0.270 61.410 62.100 -0.701 0.000 0.966 649 T CB 1.273 69.947 68.868 -0.323 0.000 0.962 649 T HN 1.094 nan 8.240 nan 0.000 0.438 650 G N 1.812 110.134 108.800 -0.796 0.000 2.399 650 G HA2 0.451 4.411 3.960 -0.000 0.000 0.256 650 G HA3 0.451 4.411 3.960 -0.000 0.000 0.256 650 G C -0.601 174.259 174.900 -0.066 0.000 1.236 650 G CA -0.231 44.576 45.100 -0.488 0.000 0.914 650 G HN 0.932 nan 8.290 nan 0.000 0.482 651 S N -0.523 115.242 115.700 0.110 0.000 2.603 651 S HA 0.468 4.937 4.470 -0.000 0.000 0.268 651 S C 1.425 176.137 174.600 0.188 0.000 1.317 651 S CA 1.037 59.292 58.200 0.091 0.000 1.012 651 S CB 1.284 64.532 63.200 0.081 0.000 0.926 651 S HN 0.889 nan 8.310 nan 0.000 0.539 652 T N 1.640 116.279 114.554 0.142 0.000 2.684 652 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 652 T C 1.627 176.391 174.700 0.106 0.000 1.036 652 T CA 1.465 63.658 62.100 0.155 0.000 1.148 652 T CB -0.406 68.591 68.868 0.215 0.000 0.863 652 T HN 0.659 nan 8.240 nan 0.000 0.436 653 E N 0.683 120.956 120.200 0.121 0.000 2.072 653 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 653 E C 2.554 179.258 176.600 0.173 0.000 0.985 653 E CA 0.636 57.125 56.400 0.147 0.000 0.801 653 E CB -0.547 29.241 29.700 0.146 0.000 0.750 653 E HN 0.321 nan 8.360 nan 0.000 0.452 654 V N 0.852 120.823 119.914 0.096 0.000 2.343 654 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 654 V C 2.424 178.325 176.094 -0.322 0.000 1.051 654 V CA 1.970 64.264 62.300 -0.011 0.000 1.036 654 V CB -1.116 30.766 31.823 0.098 0.000 0.654 654 V HN 0.319 nan 8.190 nan 0.000 0.451 655 G N -0.197 108.374 108.800 -0.382 0.000 2.440 655 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 655 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 655 G C 1.655 176.355 174.900 -0.332 0.000 1.154 655 G CA 0.954 45.685 45.100 -0.615 0.000 0.767 655 G HN 0.479 nan 8.290 nan 0.000 0.552 656 K N -0.452 119.837 120.400 -0.185 0.000 2.063 656 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 656 K C 2.240 178.649 176.600 -0.319 0.000 1.048 656 K CA 1.508 57.658 56.287 -0.228 0.000 0.928 656 K CB -0.240 32.112 32.500 -0.246 0.000 0.713 656 K HN 0.463 nan 8.250 nan 0.000 0.442 657 H N -0.084 118.906 119.070 -0.134 0.000 2.512 657 H HA 0.068 4.624 4.556 -0.000 0.000 0.279 657 H C 1.824 177.068 175.328 -0.139 0.000 0.999 657 H CA 0.502 56.484 56.048 -0.110 0.000 1.283 657 H CB 0.230 29.942 29.762 -0.083 0.000 1.421 657 H HN 0.050 nan 8.280 nan 0.000 0.554 658 I N 0.338 120.810 120.570 -0.164 0.000 2.179 658 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 658 I C 2.355 178.406 176.117 -0.111 0.000 1.088 658 I CA 1.412 62.596 61.300 -0.193 0.000 1.357 658 I CB -0.702 37.040 38.000 -0.430 0.000 1.051 658 I HN 0.398 nan 8.210 nan 0.000 0.409 659 M N 0.689 120.217 119.600 -0.119 0.000 2.117 659 M HA -0.266 4.213 4.480 -0.000 0.000 0.262 659 M C 2.363 178.644 176.300 -0.031 0.000 1.065 659 M CA 1.814 57.092 55.300 -0.037 0.000 1.114 659 M CB -0.202 32.400 32.600 0.003 0.000 1.361 659 M HN 0.072 nan 8.290 nan 0.000 0.408 660 K N -0.456 119.906 120.400 -0.063 0.000 2.063 660 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 660 K C 1.694 178.286 176.600 -0.012 0.000 1.048 660 K CA 2.043 58.304 56.287 -0.043 0.000 0.928 660 K CB -0.100 32.362 32.500 -0.064 0.000 0.713 660 K HN 0.336 nan 8.250 nan 0.000 0.442 661 S N 0.477 116.173 115.700 -0.005 0.000 2.383 661 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 661 S C 2.146 176.750 174.600 0.006 0.000 1.026 661 S CA 1.138 59.341 58.200 0.006 0.000 0.981 661 S CB -0.362 62.844 63.200 0.009 0.000 0.818 661 S HN 0.440 nan 8.310 nan 0.000 0.472 662 C N 1.909 121.211 119.300 0.004 0.000 2.413 662 C HA -0.064 4.396 4.460 -0.000 0.000 0.276 662 C C 3.049 178.044 174.990 0.008 0.000 1.248 662 C CA 0.597 59.622 59.018 0.012 0.000 1.742 662 C CB -1.557 26.194 27.740 0.018 0.000 2.017 662 C HN 0.680 nan 8.230 nan 0.000 0.481 663 A N 0.342 123.163 122.820 0.002 0.000 1.858 663 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 663 A C 2.053 179.636 177.584 -0.002 0.000 1.190 663 A CA 1.461 53.496 52.037 -0.003 0.000 0.617 663 A CB -0.620 18.375 19.000 -0.008 0.000 0.827 663 A HN 0.617 nan 8.150 nan 0.000 0.443 664 L N 0.453 121.676 121.223 -0.001 0.000 2.478 664 L HA -0.071 4.269 4.340 -0.000 0.000 0.223 664 L C 2.643 179.513 176.870 -0.000 0.000 1.140 664 L CA 0.933 55.772 54.840 -0.000 0.000 0.842 664 L CB -0.400 41.660 42.059 0.002 0.000 0.953 664 L HN 0.640 nan 8.230 nan 0.000 0.452 665 S N 1.018 116.720 115.700 0.003 0.000 2.339 665 S HA -0.019 4.450 4.470 -0.000 0.000 0.189 665 S C 1.173 175.776 174.600 0.004 0.000 0.966 665 S CA 0.614 58.816 58.200 0.003 0.000 0.925 665 S CB -0.280 62.926 63.200 0.011 0.000 0.890 665 S HN 0.483 nan 8.310 nan 0.000 0.539 666 N N 0.898 119.604 118.700 0.010 0.000 2.377 666 N HA 0.125 4.865 4.740 -0.000 0.000 0.259 666 N C 0.316 175.831 175.510 0.007 0.000 1.332 666 N CA 0.203 53.260 53.050 0.010 0.000 0.877 666 N CB -0.107 38.391 38.487 0.019 0.000 1.299 666 N HN 1.106 nan 8.380 nan 0.000 0.501 667 V N -1.596 118.320 119.914 0.004 0.000 5.043 667 V HA -0.372 3.747 4.120 -0.000 0.000 0.267 667 V C 0.300 176.395 176.094 0.001 0.000 0.597 667 V CA 1.176 63.475 62.300 -0.001 0.000 0.703 667 V CB -2.857 28.961 31.823 -0.009 0.000 0.558 667 V HN 0.673 nan 8.190 nan 0.000 1.038 668 K N -0.059 120.346 120.400 0.009 0.000 2.440 668 K HA 0.362 4.681 4.320 -0.000 0.000 0.270 668 K C 0.287 176.890 176.600 0.005 0.000 0.980 668 K CA -0.360 55.932 56.287 0.009 0.000 0.953 668 K CB 0.580 33.092 32.500 0.019 0.000 0.925 668 K HN 0.602 nan 8.250 nan 0.000 0.497 669 K N 0.680 121.078 120.400 -0.004 0.000 2.319 669 K HA 0.186 4.506 4.320 -0.000 0.000 0.265 669 K C -0.568 176.043 176.600 0.018 0.000 1.000 669 K CA -0.425 55.856 56.287 -0.009 0.000 0.943 669 K CB 1.200 33.677 32.500 -0.039 0.000 0.950 669 K HN 0.399 nan 8.250 nan 0.000 0.485 670 V N 1.002 120.953 119.914 0.063 0.000 2.888 670 V HA 0.397 4.517 4.120 -0.000 0.000 0.309 670 V C -1.439 174.798 176.094 0.238 0.000 1.114 670 V CA -0.410 61.965 62.300 0.126 0.000 0.940 670 V CB 2.474 34.385 31.823 0.146 0.000 1.021 670 V HN 0.811 nan 8.190 nan 0.000 0.426 671 S N 6.126 121.921 115.700 0.158 0.000 2.536 671 S HA 0.827 5.296 4.470 -0.000 0.000 0.298 671 S C -1.130 173.477 174.600 0.011 0.000 1.083 671 S CA -0.612 57.679 58.200 0.152 0.000 0.995 671 S CB 1.657 64.897 63.200 0.068 0.000 1.058 671 S HN 0.674 nan 8.310 nan 0.000 0.488 672 L N 2.012 123.091 121.223 -0.240 0.000 2.436 672 L HA 0.585 4.924 4.340 -0.000 0.000 0.268 672 L C -0.578 176.214 176.870 -0.130 0.000 0.974 672 L CA -0.419 54.310 54.840 -0.186 0.000 0.826 672 L CB 1.909 43.680 42.059 -0.480 0.000 1.291 672 L HN 0.543 nan 8.230 nan 0.000 0.406 673 E N 4.396 124.600 120.200 0.006 0.000 2.220 673 E HA 0.357 4.706 4.350 -0.000 0.000 0.256 673 E C -0.946 175.660 176.600 0.011 0.000 0.881 673 E CA -0.360 56.050 56.400 0.016 0.000 0.766 673 E CB 1.781 31.534 29.700 0.089 0.000 1.187 673 E HN 0.637 nan 8.360 nan 0.000 0.419 674 L N 3.624 124.862 121.223 0.025 0.000 3.202 674 L HA 0.385 4.725 4.340 -0.000 0.000 0.278 674 L C 0.859 177.692 176.870 -0.062 0.000 1.268 674 L CA -0.013 54.854 54.840 0.044 0.000 1.034 674 L CB 0.331 42.468 42.059 0.130 0.000 1.407 674 L HN 0.788 nan 8.230 nan 0.000 0.581 675 G N 0.140 108.880 108.800 -0.101 0.000 2.725 675 G HA2 0.084 4.044 3.960 -0.000 0.000 0.220 675 G HA3 0.084 4.044 3.960 -0.000 0.000 0.220 675 G C -0.258 174.442 174.900 -0.333 0.000 1.357 675 G CA -0.466 44.515 45.100 -0.198 0.000 0.866 675 G HN 0.571 nan 8.290 nan 0.000 0.548 676 G N -1.509 107.041 108.800 -0.417 0.000 2.649 676 G HA2 0.723 4.683 3.960 -0.000 0.000 0.290 676 G HA3 0.723 4.683 3.960 -0.000 0.000 0.290 676 G C -1.208 173.521 174.900 -0.286 0.000 1.426 676 G CA 0.276 45.167 45.100 -0.348 0.000 0.794 676 G HN 1.133 nan 8.290 nan 0.000 0.483 677 K N 0.700 121.085 120.400 -0.026 0.000 2.842 677 K HA 0.519 4.839 4.320 -0.000 0.000 0.176 677 K C -0.316 176.347 176.600 0.105 0.000 1.080 677 K CA -0.348 55.979 56.287 0.067 0.000 0.954 677 K CB 0.332 32.940 32.500 0.181 0.000 1.203 677 K HN 0.343 nan 8.250 nan 0.000 0.611 678 S N 4.473 120.225 115.700 0.086 0.000 2.499 678 S HA 0.354 4.824 4.470 -0.000 0.000 0.275 678 S C -2.416 172.260 174.600 0.126 0.000 1.257 678 S CA -0.966 57.305 58.200 0.119 0.000 1.050 678 S CB 0.718 64.020 63.200 0.171 0.000 0.937 678 S HN 0.446 nan 8.310 nan 0.000 0.490 679 P HA 0.371 nan 4.420 nan 0.000 0.288 679 P C -1.179 176.202 177.300 0.135 0.000 1.267 679 P CA -0.785 62.427 63.100 0.187 0.000 0.815 679 P CB 0.995 32.856 31.700 0.268 0.000 0.989 680 L N 4.707 125.963 121.223 0.055 0.000 2.319 680 L HA 0.494 4.833 4.340 -0.000 0.000 0.281 680 L C -0.867 175.943 176.870 -0.100 0.000 1.005 680 L CA -0.697 54.090 54.840 -0.088 0.000 0.828 680 L CB 0.587 42.462 42.059 -0.306 0.000 1.227 680 L HN 0.235 nan 8.230 nan 0.000 0.415 681 I N 6.560 127.043 120.570 -0.145 0.000 2.321 681 I HA 0.383 4.552 4.170 -0.000 0.000 0.291 681 I C -0.443 175.534 176.117 -0.233 0.000 0.998 681 I CA -0.263 60.907 61.300 -0.216 0.000 1.227 681 I CB 1.193 38.968 38.000 -0.376 0.000 1.368 681 I HN 0.494 nan 8.210 nan 0.000 0.466 682 I N 6.680 127.154 120.570 -0.160 0.000 2.359 682 I HA 0.325 4.495 4.170 -0.000 0.000 0.284 682 I C -0.484 175.664 176.117 0.051 0.000 1.018 682 I CA -0.402 60.877 61.300 -0.036 0.000 1.173 682 I CB 0.737 38.639 38.000 -0.164 0.000 1.326 682 I HN 0.338 nan 8.210 nan 0.000 0.462 683 F N 3.276 123.390 119.950 0.274 0.000 2.371 683 F HA 0.341 4.867 4.527 -0.000 0.000 0.329 683 F C 1.579 177.460 175.800 0.134 0.000 1.107 683 F CA -0.091 58.065 58.000 0.259 0.000 1.137 683 F CB 1.285 40.432 39.000 0.245 0.000 1.214 683 F HN 0.522 nan 8.300 nan 0.000 0.536 684 A N 0.860 123.841 122.820 0.269 0.000 2.019 684 A HA -0.193 4.126 4.320 -0.000 0.000 0.219 684 A C 1.575 179.257 177.584 0.164 0.000 1.164 684 A CA 1.761 53.889 52.037 0.153 0.000 0.644 684 A CB -0.933 18.120 19.000 0.088 0.000 0.805 684 A HN 0.790 nan 8.150 nan 0.000 0.449 685 D N -0.420 120.100 120.400 0.200 0.000 2.328 685 D HA 0.036 4.676 4.640 -0.000 0.000 0.226 685 D C 0.879 177.270 176.300 0.151 0.000 1.066 685 D CA 0.274 54.359 54.000 0.141 0.000 0.861 685 D CB -1.737 39.121 40.800 0.097 0.000 0.912 685 D HN 0.533 nan 8.370 nan 0.000 0.521 686 C N -0.388 119.035 119.300 0.204 0.000 2.639 686 C HA 0.374 4.834 4.460 -0.000 0.000 0.360 686 C C 0.704 175.770 174.990 0.127 0.000 1.351 686 C CA -1.237 57.895 59.018 0.190 0.000 2.408 686 C CB 0.686 28.592 27.740 0.277 0.000 2.517 686 C HN 0.268 nan 8.230 nan 0.000 0.696 687 D N 1.046 121.497 120.400 0.085 0.000 2.344 687 D HA 0.087 4.727 4.640 -0.000 0.000 0.253 687 D C 0.661 177.006 176.300 0.075 0.000 1.255 687 D CA -0.180 53.854 54.000 0.057 0.000 0.894 687 D CB 0.537 41.346 40.800 0.016 0.000 1.067 687 D HN 0.661 nan 8.370 nan 0.000 0.492 688 L N 5.600 126.882 121.223 0.099 0.000 2.027 688 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 688 L C 1.680 178.620 176.870 0.117 0.000 1.074 688 L CA 1.530 56.457 54.840 0.145 0.000 0.745 688 L CB -0.593 41.549 42.059 0.139 0.000 0.898 688 L HN 0.378 nan 8.230 nan 0.000 0.433 689 N N 0.024 118.760 118.700 0.061 0.000 2.149 689 N HA -0.199 4.540 4.740 -0.000 0.000 0.188 689 N C 1.756 177.277 175.510 0.018 0.000 1.019 689 N CA 1.436 54.504 53.050 0.030 0.000 0.857 689 N CB -0.193 38.303 38.487 0.015 0.000 0.997 689 N HN 0.461 nan 8.380 nan 0.000 0.426 690 K N 0.696 121.097 120.400 0.001 0.000 2.097 690 K HA 0.063 4.382 4.320 -0.000 0.000 0.205 690 K C 2.072 178.622 176.600 -0.083 0.000 1.050 690 K CA 1.015 57.271 56.287 -0.052 0.000 0.938 690 K CB -0.076 32.370 32.500 -0.090 0.000 0.718 690 K HN 0.108 nan 8.250 nan 0.000 0.442 691 A N 1.099 123.914 122.820 -0.009 0.000 1.933 691 A HA -0.119 4.200 4.320 -0.000 0.000 0.218 691 A C 2.347 180.163 177.584 0.386 0.000 1.175 691 A CA 1.329 53.463 52.037 0.161 0.000 0.628 691 A CB -0.588 18.666 19.000 0.423 0.000 0.814 691 A HN 0.063 nan 8.150 nan 0.000 0.444 692 V N -0.049 119.996 119.914 0.218 0.000 2.307 692 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 692 V C 2.758 178.871 176.094 0.031 0.000 1.045 692 V CA 1.997 64.300 62.300 0.005 0.000 1.024 692 V CB -0.713 31.015 31.823 -0.158 0.000 0.651 692 V HN 0.545 nan 8.190 nan 0.000 0.449 693 Q N -0.671 119.149 119.800 0.033 0.000 2.020 693 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 693 Q C 2.210 178.249 176.000 0.065 0.000 0.982 693 Q CA 1.802 57.627 55.803 0.037 0.000 0.838 693 Q CB -0.369 28.378 28.738 0.016 0.000 0.899 693 Q HN 0.578 nan 8.270 nan 0.000 0.423 694 M N -0.500 119.133 119.600 0.054 0.000 2.254 694 M HA -0.042 4.437 4.480 -0.000 0.000 0.265 694 M C 2.129 178.585 176.300 0.260 0.000 1.066 694 M CA 1.344 56.705 55.300 0.102 0.000 1.123 694 M CB -0.424 32.125 32.600 -0.086 0.000 1.388 694 M HN 0.249 nan 8.290 nan 0.000 0.425 695 G N 0.240 109.266 108.800 0.376 0.000 2.402 695 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.216 695 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.216 695 G C 1.540 176.435 174.900 -0.007 0.000 1.162 695 G CA 0.514 45.780 45.100 0.278 0.000 0.777 695 G HN 0.308 nan 8.290 nan 0.000 0.539 696 M N 0.580 120.174 119.600 -0.011 0.000 2.086 696 M HA -0.069 4.410 4.480 -0.000 0.000 0.261 696 M C 2.845 179.069 176.300 -0.127 0.000 1.067 696 M CA 1.504 56.717 55.300 -0.144 0.000 1.116 696 M CB -0.239 32.428 32.600 0.113 0.000 1.348 696 M HN 0.317 nan 8.290 nan 0.000 0.407 697 S N 0.113 115.839 115.700 0.044 0.000 2.382 697 S HA -0.136 4.333 4.470 -0.000 0.000 0.228 697 S C 1.983 176.607 174.600 0.040 0.000 1.027 697 S CA 1.710 59.985 58.200 0.125 0.000 0.991 697 S CB -0.304 62.976 63.200 0.135 0.000 0.823 697 S HN 0.636 nan 8.310 nan 0.000 0.469 698 S N 0.244 115.870 115.700 -0.122 0.000 2.419 698 S HA -0.050 4.420 4.470 -0.000 0.000 0.235 698 S C 1.669 176.089 174.600 -0.301 0.000 1.019 698 S CA 1.390 59.357 58.200 -0.388 0.000 0.982 698 S CB -0.472 62.163 63.200 -0.942 0.000 0.789 698 S HN 0.367 nan 8.310 nan 0.000 0.490 699 V N -0.324 119.394 119.914 -0.327 0.000 2.581 699 V HA 0.228 4.348 4.120 -0.000 0.000 0.240 699 V C 1.859 177.898 176.094 -0.092 0.000 1.054 699 V CA 0.871 62.972 62.300 -0.331 0.000 1.076 699 V CB -0.701 30.724 31.823 -0.663 0.000 0.748 699 V HN 0.451 nan 8.190 nan 0.000 0.474 700 F N -0.748 119.262 119.950 0.101 0.000 2.743 700 F HA 0.302 4.829 4.527 -0.000 0.000 0.297 700 F C 0.942 176.851 175.800 0.181 0.000 1.131 700 F CA -1.364 56.710 58.000 0.124 0.000 1.426 700 F CB -0.804 38.245 39.000 0.081 0.000 1.116 700 F HN 0.037 nan 8.300 nan 0.000 0.583 701 F N 2.307 122.376 119.950 0.199 0.000 2.629 701 F HA -0.003 4.524 4.527 -0.000 0.000 0.377 701 F C 1.267 177.143 175.800 0.128 0.000 1.101 701 F CA -0.063 58.037 58.000 0.166 0.000 1.301 701 F CB 0.017 39.101 39.000 0.140 0.000 1.062 701 F HN 0.149 nan 8.300 nan 0.000 0.583 702 N N 4.065 122.464 118.700 -0.503 0.000 2.714 702 N HA -0.307 4.433 4.740 -0.000 0.000 0.252 702 N C 0.247 175.659 175.510 -0.163 0.000 1.014 702 N CA 1.256 54.085 53.050 -0.369 0.000 0.735 702 N CB -0.523 37.708 38.487 -0.426 0.000 0.924 702 N HN 0.726 nan 8.380 nan 0.000 0.540 703 K N -2.350 118.036 120.400 -0.023 0.000 2.975 703 K HA -0.260 4.060 4.320 -0.000 0.000 0.257 703 K C 0.952 177.624 176.600 0.120 0.000 1.005 703 K CA 1.905 58.251 56.287 0.098 0.000 0.738 703 K CB -2.386 30.034 32.500 -0.134 0.000 1.236 703 K HN 1.410 nan 8.250 nan 0.000 0.483 704 G N -0.320 108.536 108.800 0.094 0.000 2.184 704 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.264 704 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.264 704 G C -0.094 174.622 174.900 -0.305 0.000 0.975 704 G CA 0.678 45.780 45.100 0.003 0.000 0.642 704 G HN 0.613 nan 8.290 nan 0.000 0.536 705 E N 0.827 120.776 120.200 -0.418 0.000 1.892 705 E HA 0.349 4.699 4.350 -0.000 0.000 0.271 705 E C 0.043 176.056 176.600 -0.977 0.000 1.146 705 E CA -0.182 55.652 56.400 -0.942 0.000 1.096 705 E CB 0.011 29.477 29.700 -0.390 0.000 1.155 705 E HN 0.481 nan 8.360 nan 0.000 0.458 706 N N 1.872 119.957 118.700 -1.026 0.000 2.616 706 N HA 0.021 4.760 4.740 -0.000 0.000 0.281 706 N C 0.645 176.126 175.510 -0.049 0.000 1.145 706 N CA -0.506 52.419 53.050 -0.209 0.000 0.919 706 N CB 0.746 39.282 38.487 0.082 0.000 1.509 706 N HN 0.418 nan 8.380 nan 0.000 0.537 707 C N 2.643 122.084 119.300 0.234 0.000 2.419 707 C HA 0.030 4.490 4.460 -0.000 0.000 0.283 707 C C 1.941 177.074 174.990 0.239 0.000 1.373 707 C CA 0.034 59.252 59.018 0.334 0.000 1.781 707 C CB -1.750 26.175 27.740 0.308 0.000 1.886 707 C HN 0.765 nan 8.230 nan 0.000 0.520 708 I N -0.247 120.497 120.570 0.290 0.000 3.875 708 I HA 0.476 4.646 4.170 -0.000 0.000 0.329 708 I C 1.202 177.530 176.117 0.353 0.000 1.295 708 I CA -0.196 61.272 61.300 0.280 0.000 1.129 708 I CB -0.709 37.487 38.000 0.327 0.000 1.008 708 I HN 0.159 nan 8.210 nan 0.000 0.413 709 A N 2.108 125.071 122.820 0.238 0.000 2.587 709 A HA 0.442 4.762 4.320 -0.000 0.000 0.233 709 A C 0.879 178.518 177.584 0.092 0.000 1.049 709 A CA 0.413 52.540 52.037 0.150 0.000 0.754 709 A CB -0.085 18.934 19.000 0.033 0.000 0.977 709 A HN 0.656 nan 8.150 nan 0.000 0.509 710 A N 2.324 125.073 122.820 -0.119 0.000 2.444 710 A HA 0.472 4.792 4.320 -0.000 0.000 0.273 710 A C 1.315 178.839 177.584 -0.100 0.000 1.136 710 A CA 0.236 52.170 52.037 -0.171 0.000 0.799 710 A CB -0.271 18.432 19.000 -0.495 0.000 1.081 710 A HN 1.618 nan 8.150 nan 0.000 0.509 711 G N 2.356 111.139 108.800 -0.028 0.000 2.887 711 G HA2 0.252 4.212 3.960 -0.000 0.000 0.211 711 G HA3 0.252 4.212 3.960 -0.000 0.000 0.211 711 G C 0.664 175.538 174.900 -0.043 0.000 1.152 711 G CA -0.143 44.948 45.100 -0.016 0.000 0.769 711 G HN 0.681 nan 8.290 nan 0.000 0.541 712 R N -0.627 119.820 120.500 -0.089 0.000 2.604 712 R HA 0.500 4.840 4.340 -0.000 0.000 0.281 712 R C -1.941 174.195 176.300 -0.273 0.000 1.020 712 R CA -0.783 55.178 56.100 -0.231 0.000 0.899 712 R CB 2.077 32.160 30.300 -0.362 0.000 1.205 712 R HN -0.028 nan 8.270 nan 0.000 0.450 713 L N 3.349 124.379 121.223 -0.323 0.000 2.305 713 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 713 L C -0.971 175.687 176.870 -0.354 0.000 1.013 713 L CA -0.073 54.605 54.840 -0.269 0.000 0.819 713 L CB 0.886 42.833 42.059 -0.188 0.000 1.227 713 L HN 0.461 nan 8.230 nan 0.000 0.417 714 F N 3.517 123.408 119.950 -0.098 0.000 2.391 714 F HA 0.544 5.071 4.527 -0.000 0.000 0.359 714 F C 0.103 175.973 175.800 0.117 0.000 1.122 714 F CA -0.720 57.292 58.000 0.020 0.000 1.120 714 F CB 1.245 40.168 39.000 -0.128 0.000 1.142 714 F HN 0.038 nan 8.300 nan 0.000 0.483 715 V N 2.997 123.061 119.914 0.251 0.000 2.448 715 V HA 0.233 4.353 4.120 -0.000 0.000 0.295 715 V C 0.003 175.934 176.094 -0.272 0.000 1.025 715 V CA -1.228 61.055 62.300 -0.029 0.000 0.859 715 V CB 1.622 33.280 31.823 -0.275 0.000 0.988 715 V HN 0.679 nan 8.190 nan 0.000 0.431 716 E N 2.066 121.873 120.200 -0.656 0.000 2.413 716 E HA -0.039 4.310 4.350 -0.000 0.000 0.263 716 E C 1.103 177.431 176.600 -0.453 0.000 1.015 716 E CA 0.155 55.873 56.400 -1.137 0.000 0.916 716 E CB 0.851 30.095 29.700 -0.760 0.000 0.947 716 E HN 0.790 nan 8.360 nan 0.000 0.440 717 E N 2.432 122.390 120.200 -0.404 0.000 2.086 717 E HA -0.293 4.056 4.350 -0.000 0.000 0.200 717 E C 1.626 178.187 176.600 -0.066 0.000 1.012 717 E CA 2.486 58.782 56.400 -0.174 0.000 0.812 717 E CB -0.199 29.416 29.700 -0.142 0.000 0.743 717 E HN 0.527 nan 8.360 nan 0.000 0.453 718 S N -0.032 115.627 115.700 -0.069 0.000 2.447 718 S HA -0.148 4.322 4.470 -0.000 0.000 0.233 718 S C 1.965 176.582 174.600 0.029 0.000 1.006 718 S CA 1.088 59.283 58.200 -0.009 0.000 0.957 718 S CB -0.738 62.459 63.200 -0.004 0.000 0.773 718 S HN 0.584 nan 8.310 nan 0.000 0.507 719 I N -2.564 118.024 120.570 0.029 0.000 4.018 719 I HA 0.319 4.488 4.170 -0.000 0.000 0.337 719 I C 2.170 178.365 176.117 0.130 0.000 1.327 719 I CA -0.229 61.118 61.300 0.079 0.000 1.100 719 I CB -0.494 37.555 38.000 0.082 0.000 1.025 719 I HN 0.138 nan 8.210 nan 0.000 0.396 720 H N 3.049 122.125 119.070 0.011 0.000 2.290 720 H HA -0.164 4.392 4.556 -0.000 0.000 0.298 720 H C 1.361 176.768 175.328 0.131 0.000 1.087 720 H CA 2.548 58.625 56.048 0.048 0.000 1.291 720 H CB 0.084 29.842 29.762 -0.007 0.000 1.369 720 H HN 0.366 nan 8.280 nan 0.000 0.492 721 N N 0.774 119.622 118.700 0.246 0.000 2.188 721 N HA -0.137 4.602 4.740 -0.000 0.000 0.184 721 N C 2.164 177.721 175.510 0.078 0.000 1.018 721 N CA 0.910 54.061 53.050 0.169 0.000 0.858 721 N CB -0.520 38.067 38.487 0.166 0.000 0.989 721 N HN 0.563 nan 8.380 nan 0.000 0.426 722 Q N -0.415 119.440 119.800 0.093 0.000 2.079 722 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 722 Q C 1.877 177.919 176.000 0.070 0.000 0.974 722 Q CA 0.912 56.757 55.803 0.071 0.000 0.840 722 Q CB -0.162 28.624 28.738 0.079 0.000 0.898 722 Q HN 0.334 nan 8.270 nan 0.000 0.430 723 F N 0.194 120.121 119.950 -0.039 0.000 2.065 723 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 723 F C 1.903 177.655 175.800 -0.080 0.000 1.112 723 F CA 1.641 59.610 58.000 -0.050 0.000 1.212 723 F CB -0.326 38.636 39.000 -0.063 0.000 0.975 723 F HN -0.095 nan 8.300 nan 0.000 0.476 724 V N 0.504 120.403 119.914 -0.025 0.000 2.343 724 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 724 V C 2.324 178.342 176.094 -0.126 0.000 1.051 724 V CA 2.291 64.523 62.300 -0.113 0.000 1.036 724 V CB -0.908 30.850 31.823 -0.109 0.000 0.654 724 V HN 0.431 nan 8.190 nan 0.000 0.451 725 Q N -0.200 119.555 119.800 -0.076 0.000 2.061 725 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 725 Q C 2.386 178.329 176.000 -0.094 0.000 0.984 725 Q CA 1.818 57.584 55.803 -0.061 0.000 0.846 725 Q CB -0.234 28.488 28.738 -0.025 0.000 0.902 725 Q HN 0.608 nan 8.270 nan 0.000 0.421 726 K N -0.101 120.219 120.400 -0.132 0.000 2.057 726 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 726 K C 2.114 178.599 176.600 -0.191 0.000 1.049 726 K CA 1.162 57.361 56.287 -0.147 0.000 0.931 726 K CB -0.084 32.327 32.500 -0.150 0.000 0.714 726 K HN 0.014 nan 8.250 nan 0.000 0.440 727 V N 1.051 120.781 119.914 -0.306 0.000 2.295 727 V HA -0.238 3.881 4.120 -0.000 0.000 0.246 727 V C 2.251 178.280 176.094 -0.109 0.000 1.049 727 V CA 1.567 63.715 62.300 -0.252 0.000 1.024 727 V CB -0.290 31.325 31.823 -0.348 0.000 0.648 727 V HN 0.093 nan 8.190 nan 0.000 0.447 728 V N -0.221 119.633 119.914 -0.101 0.000 2.332 728 V HA -0.296 3.823 4.120 -0.000 0.000 0.248 728 V C 2.389 178.442 176.094 -0.068 0.000 1.055 728 V CA 2.177 64.435 62.300 -0.070 0.000 1.038 728 V CB -0.702 31.084 31.823 -0.061 0.000 0.651 728 V HN 0.629 nan 8.190 nan 0.000 0.450 729 E N -0.375 119.784 120.200 -0.069 0.000 2.085 729 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 729 E C 2.325 178.893 176.600 -0.053 0.000 0.994 729 E CA 1.355 57.721 56.400 -0.057 0.000 0.801 729 E CB -0.097 29.572 29.700 -0.052 0.000 0.743 729 E HN 0.578 nan 8.360 nan 0.000 0.453 730 E N 0.289 120.457 120.200 -0.054 0.000 2.112 730 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 730 E C 2.352 178.928 176.600 -0.040 0.000 0.979 730 E CA 0.444 56.822 56.400 -0.036 0.000 0.814 730 E CB -0.224 29.462 29.700 -0.025 0.000 0.762 730 E HN 0.110 nan 8.360 nan 0.000 0.460 731 V N 1.922 121.805 119.914 -0.051 0.000 2.392 731 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 731 V C 2.049 178.065 176.094 -0.130 0.000 1.059 731 V CA 1.905 64.136 62.300 -0.114 0.000 1.051 731 V CB -0.498 31.246 31.823 -0.131 0.000 0.658 731 V HN 0.274 nan 8.190 nan 0.000 0.455 732 E N -0.384 119.758 120.200 -0.096 0.000 2.265 732 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 732 E C 2.010 178.564 176.600 -0.076 0.000 0.996 732 E CA 0.787 57.133 56.400 -0.089 0.000 0.832 732 E CB -0.073 29.584 29.700 -0.072 0.000 0.756 732 E HN 0.593 nan 8.360 nan 0.000 0.491 733 K N -0.060 120.302 120.400 -0.063 0.000 2.426 733 K HA 0.127 4.447 4.320 -0.000 0.000 0.193 733 K C 0.381 176.954 176.600 -0.045 0.000 1.028 733 K CA 0.003 56.262 56.287 -0.046 0.000 1.047 733 K CB 0.244 32.726 32.500 -0.030 0.000 0.821 733 K HN 0.086 nan 8.250 nan 0.000 0.513 734 M N 1.794 121.353 119.600 -0.068 0.000 2.238 734 M HA 0.022 4.501 4.480 -0.000 0.000 0.350 734 M C 0.045 176.317 176.300 -0.046 0.000 1.321 734 M CA 0.071 55.334 55.300 -0.062 0.000 1.097 734 M CB 0.417 32.938 32.600 -0.132 0.000 1.713 734 M HN -0.276 nan 8.290 nan 0.000 0.455 735 K N 4.688 125.083 120.400 -0.009 0.000 2.267 735 K HA 0.452 4.772 4.320 -0.000 0.000 0.282 735 K C -1.246 175.374 176.600 0.033 0.000 1.078 735 K CA 0.027 56.312 56.287 -0.004 0.000 0.903 735 K CB 0.263 32.764 32.500 0.002 0.000 1.111 735 K HN 0.569 nan 8.250 nan 0.000 0.475 736 I N 3.989 124.568 120.570 0.014 0.000 2.353 736 I HA 0.602 4.771 4.170 -0.000 0.000 0.293 736 I C 0.732 176.820 176.117 -0.048 0.000 0.992 736 I CA -0.267 61.072 61.300 0.066 0.000 1.268 736 I CB 1.521 39.555 38.000 0.056 0.000 1.387 736 I HN 0.829 nan 8.210 nan 0.000 0.478 737 G N 4.922 113.744 108.800 0.036 0.000 2.325 737 G HA2 0.007 3.967 3.960 -0.000 0.000 0.295 737 G HA3 0.007 3.967 3.960 -0.000 0.000 0.295 737 G C -1.430 173.587 174.900 0.195 0.000 1.274 737 G CA -0.791 44.267 45.100 -0.070 0.000 0.857 737 G HN 0.505 nan 8.290 nan 0.000 0.499 738 N N 1.203 119.968 118.700 0.108 0.000 2.357 738 N HA 0.112 4.852 4.740 -0.000 0.000 0.257 738 N C -1.066 174.507 175.510 0.106 0.000 1.250 738 N CA -0.888 52.253 53.050 0.151 0.000 0.862 738 N CB 1.653 40.170 38.487 0.050 0.000 1.066 738 N HN 0.039 nan 8.380 nan 0.000 0.468 739 P HA -0.113 nan 4.420 nan 0.000 0.221 739 P C 1.241 178.581 177.300 0.067 0.000 1.145 739 P CA 1.156 64.287 63.100 0.052 0.000 0.795 739 P CB 0.260 31.966 31.700 0.011 0.000 0.775 740 L N -1.319 119.921 121.223 0.029 0.000 2.418 740 L HA 0.052 4.392 4.340 -0.000 0.000 0.218 740 L C 1.012 177.875 176.870 -0.012 0.000 1.125 740 L CA 0.311 55.138 54.840 -0.021 0.000 0.835 740 L CB -0.527 41.480 42.059 -0.087 0.000 0.953 740 L HN -0.076 nan 8.230 nan 0.000 0.454 741 E N 1.217 121.424 120.200 0.012 0.000 2.324 741 E HA 0.020 4.369 4.350 -0.000 0.000 0.271 741 E C 0.687 177.309 176.600 0.037 0.000 1.028 741 E CA -0.093 56.314 56.400 0.011 0.000 0.890 741 E CB 0.875 30.578 29.700 0.004 0.000 1.004 741 E HN 0.090 nan 8.360 nan 0.000 0.431 742 R N 1.991 122.513 120.500 0.037 0.000 2.235 742 R HA -0.094 4.245 4.340 -0.000 0.000 0.213 742 R C 0.777 177.108 176.300 0.051 0.000 1.059 742 R CA 0.736 56.874 56.100 0.063 0.000 0.997 742 R CB -0.118 30.217 30.300 0.059 0.000 0.884 742 R HN 0.494 nan 8.270 nan 0.000 0.462 743 D N -0.963 119.458 120.400 0.034 0.000 2.340 743 D HA -0.004 4.636 4.640 -0.000 0.000 0.217 743 D C -0.169 176.150 176.300 0.032 0.000 1.081 743 D CA -0.131 53.886 54.000 0.029 0.000 0.842 743 D CB -0.239 40.570 40.800 0.015 0.000 0.934 743 D HN -0.265 nan 8.370 nan 0.000 0.511 744 T N 0.959 115.537 114.554 0.040 0.000 2.867 744 T HA 0.079 4.429 4.350 -0.000 0.000 0.297 744 T C 0.846 175.580 174.700 0.058 0.000 0.989 744 T CA 0.100 62.230 62.100 0.050 0.000 1.159 744 T CB 0.680 69.585 68.868 0.061 0.000 0.928 744 T HN 0.161 nan 8.240 nan 0.000 0.538 745 N N 0.988 119.730 118.700 0.071 0.000 2.432 745 N HA 0.037 4.776 4.740 -0.000 0.000 0.174 745 N C 0.097 175.686 175.510 0.132 0.000 1.037 745 N CA 0.137 53.239 53.050 0.085 0.000 0.892 745 N CB 0.335 38.866 38.487 0.073 0.000 1.049 745 N HN 0.587 nan 8.380 nan 0.000 0.442 746 H N 0.003 119.089 119.070 0.027 0.000 3.013 746 H HA 0.511 5.066 4.556 -0.000 0.000 0.326 746 H C -0.159 175.238 175.328 0.115 0.000 0.973 746 H CA -0.741 55.330 56.048 0.037 0.000 1.369 746 H CB 0.610 30.373 29.762 0.003 0.000 1.598 746 H HN 0.097 nan 8.280 nan 0.000 0.518 747 G N 3.987 112.635 108.800 -0.253 0.000 2.543 747 G HA2 0.365 4.325 3.960 -0.000 0.000 0.290 747 G HA3 0.365 4.325 3.960 -0.000 0.000 0.290 747 G C -2.468 172.142 174.900 -0.483 0.000 1.310 747 G CA -1.629 43.357 45.100 -0.191 0.000 1.025 747 G HN 0.532 nan 8.290 nan 0.000 0.502 748 P HA 0.155 nan 4.420 nan 0.000 0.276 748 P C -0.618 176.408 177.300 -0.456 0.000 1.244 748 P CA -0.419 62.003 63.100 -1.131 0.000 0.801 748 P CB 0.877 31.702 31.700 -1.459 0.000 1.006 749 Q N 1.145 120.797 119.800 -0.246 0.000 2.492 749 Q HA 0.021 4.360 4.340 -0.000 0.000 0.238 749 Q C 1.352 177.326 176.000 -0.044 0.000 1.045 749 Q CA 0.018 55.783 55.803 -0.063 0.000 0.934 749 Q CB -0.055 28.683 28.738 0.000 0.000 1.276 749 Q HN 0.526 nan 8.270 nan 0.000 0.521 750 N N 0.750 119.447 118.700 -0.005 0.000 2.120 750 N HA -0.133 4.606 4.740 -0.000 0.000 0.188 750 N C -0.071 175.456 175.510 0.028 0.000 1.024 750 N CA 1.136 54.196 53.050 0.017 0.000 0.852 750 N CB 0.405 38.945 38.487 0.088 0.000 1.003 750 N HN 0.694 nan 8.380 nan 0.000 0.424 751 H N -2.859 116.088 119.070 -0.205 0.000 3.014 751 H HA 0.156 4.712 4.556 -0.000 0.000 0.337 751 H C 0.304 175.349 175.328 -0.472 0.000 1.320 751 H CA -0.583 55.292 56.048 -0.288 0.000 1.128 751 H CB 0.930 30.471 29.762 -0.367 0.000 1.862 751 H HN -0.098 nan 8.280 nan 0.000 0.536 752 E N 1.099 120.806 120.200 -0.821 0.000 2.085 752 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 752 E C 1.948 178.257 176.600 -0.486 0.000 0.994 752 E CA 1.694 57.447 56.400 -1.078 0.000 0.801 752 E CB -0.117 28.831 29.700 -1.252 0.000 0.743 752 E HN 0.628 nan 8.360 nan 0.000 0.453 753 A N 0.164 122.821 122.820 -0.272 0.000 1.972 753 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 753 A C 1.957 179.434 177.584 -0.178 0.000 1.169 753 A CA 1.879 53.834 52.037 -0.138 0.000 0.635 753 A CB -0.822 18.180 19.000 0.004 0.000 0.810 753 A HN 0.447 nan 8.150 nan 0.000 0.446 754 H N -0.487 118.248 119.070 -0.558 0.000 2.326 754 H HA -0.061 4.494 4.556 -0.000 0.000 0.301 754 H C 1.778 176.917 175.328 -0.314 0.000 1.081 754 H CA 1.655 57.410 56.048 -0.488 0.000 1.334 754 H CB -0.371 28.887 29.762 -0.841 0.000 1.385 754 H HN 0.309 nan 8.280 nan 0.000 0.504 755 L N 0.539 121.529 121.223 -0.387 0.000 2.013 755 L HA -0.197 4.142 4.340 -0.000 0.000 0.212 755 L C 2.150 178.897 176.870 -0.204 0.000 1.073 755 L CA 1.744 56.419 54.840 -0.276 0.000 0.753 755 L CB -0.434 41.572 42.059 -0.087 0.000 0.890 755 L HN 0.154 nan 8.230 nan 0.000 0.432 756 R N 0.212 120.621 120.500 -0.152 0.000 2.096 756 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 756 R C 2.207 178.472 176.300 -0.059 0.000 1.127 756 R CA 1.495 57.555 56.100 -0.067 0.000 0.968 756 R CB -0.772 29.497 30.300 -0.051 0.000 0.861 756 R HN 0.509 nan 8.270 nan 0.000 0.440 757 K N 0.596 120.937 120.400 -0.097 0.000 2.097 757 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 757 K C 2.251 178.808 176.600 -0.070 0.000 1.049 757 K CA 1.020 57.286 56.287 -0.036 0.000 0.933 757 K CB -0.171 32.337 32.500 0.013 0.000 0.717 757 K HN 0.131 nan 8.250 nan 0.000 0.442 758 L N 0.472 121.504 121.223 -0.319 0.000 2.056 758 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 758 L C 2.352 179.111 176.870 -0.186 0.000 1.078 758 L CA 0.713 55.244 54.840 -0.515 0.000 0.749 758 L CB -0.470 40.819 42.059 -1.283 0.000 0.901 758 L HN -0.031 nan 8.230 nan 0.000 0.433 759 V N 0.012 119.925 119.914 -0.002 0.000 2.287 759 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 759 V C 2.569 178.789 176.094 0.210 0.000 1.053 759 V CA 2.077 64.539 62.300 0.270 0.000 1.027 759 V CB -0.450 31.510 31.823 0.228 0.000 0.646 759 V HN 0.436 nan 8.190 nan 0.000 0.447 760 E N -0.344 119.938 120.200 0.136 0.000 2.077 760 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 760 E C 2.025 178.721 176.600 0.161 0.000 0.989 760 E CA 1.614 58.084 56.400 0.116 0.000 0.800 760 E CB -0.590 29.153 29.700 0.072 0.000 0.746 760 E HN 0.660 nan 8.360 nan 0.000 0.452 761 Y N -0.052 120.301 120.300 0.087 0.000 2.128 761 Y HA -0.298 4.252 4.550 -0.000 0.000 0.284 761 Y C 2.370 178.388 175.900 0.197 0.000 1.154 761 Y CA 2.106 60.300 58.100 0.157 0.000 1.149 761 Y CB -0.481 38.064 38.460 0.142 0.000 0.976 761 Y HN 0.189 nan 8.280 nan 0.000 0.505 762 C N 0.000 119.604 119.300 0.505 0.000 2.457 762 C HA -0.140 4.320 4.460 -0.000 0.000 0.278 762 C C 2.638 177.864 174.990 0.393 0.000 1.309 762 C CA 0.692 60.071 59.018 0.602 0.000 1.735 762 C CB -0.937 27.181 27.740 0.629 0.000 1.992 762 C HN 0.581 nan 8.230 nan 0.000 0.493 763 Q N 0.757 120.703 119.800 0.243 0.000 2.096 763 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 763 Q C 2.296 178.338 176.000 0.069 0.000 0.982 763 Q CA 1.505 57.393 55.803 0.141 0.000 0.850 763 Q CB -0.468 28.327 28.738 0.094 0.000 0.901 763 Q HN 0.683 nan 8.270 nan 0.000 0.422 764 R N -0.155 120.340 120.500 -0.009 0.000 2.081 764 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 764 R C 2.291 178.516 176.300 -0.125 0.000 1.131 764 R CA 1.463 57.484 56.100 -0.132 0.000 0.960 764 R CB -0.536 29.566 30.300 -0.331 0.000 0.856 764 R HN 0.323 nan 8.270 nan 0.000 0.436 765 G N -0.246 108.463 108.800 -0.151 0.000 2.440 765 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 765 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 765 G C 1.351 176.208 174.900 -0.072 0.000 1.154 765 G CA 1.013 45.912 45.100 -0.335 0.000 0.767 765 G HN 0.237 nan 8.290 nan 0.000 0.552 766 V N 0.731 120.747 119.914 0.170 0.000 2.323 766 V HA -0.105 4.015 4.120 -0.000 0.000 0.244 766 V C 2.637 178.783 176.094 0.087 0.000 1.041 766 V CA 2.140 64.562 62.300 0.203 0.000 1.025 766 V CB -0.396 31.558 31.823 0.218 0.000 0.656 766 V HN 0.431 nan 8.190 nan 0.000 0.451 767 K N 0.816 121.244 120.400 0.046 0.000 2.103 767 K HA -0.249 4.071 4.320 -0.000 0.000 0.207 767 K C 2.011 178.618 176.600 0.010 0.000 1.048 767 K CA 2.022 58.320 56.287 0.019 0.000 0.930 767 K CB -0.113 32.383 32.500 -0.007 0.000 0.716 767 K HN 0.777 nan 8.250 nan 0.000 0.444 768 E N -1.400 118.794 120.200 -0.010 0.000 2.489 768 E HA 0.041 4.391 4.350 -0.000 0.000 0.193 768 E C 0.777 177.389 176.600 0.022 0.000 1.057 768 E CA 0.575 56.975 56.400 -0.000 0.000 0.866 768 E CB 0.450 30.133 29.700 -0.028 0.000 0.916 768 E HN 0.430 nan 8.360 nan 0.000 0.500 769 G N 0.451 109.269 108.800 0.030 0.000 2.192 769 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.193 769 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.193 769 G C 0.329 175.266 174.900 0.061 0.000 0.999 769 G CA -0.226 44.906 45.100 0.052 0.000 0.659 769 G HN 0.611 nan 8.290 nan 0.000 0.503 770 A N 0.175 123.023 122.820 0.047 0.000 2.332 770 A HA 0.697 5.017 4.320 -0.000 0.000 0.258 770 A C 0.640 178.385 177.584 0.268 0.000 1.087 770 A CA 0.955 53.059 52.037 0.112 0.000 0.802 770 A CB 0.415 19.391 19.000 -0.040 0.000 1.042 770 A HN 0.706 nan 8.150 nan 0.000 0.489 771 T N 2.303 117.031 114.554 0.289 0.000 2.728 771 T HA 0.357 4.707 4.350 -0.000 0.000 0.296 771 T C -0.188 174.646 174.700 0.224 0.000 0.940 771 T CA -0.055 62.180 62.100 0.225 0.000 1.013 771 T CB 0.281 69.239 68.868 0.150 0.000 0.912 771 T HN 0.475 nan 8.240 nan 0.000 0.484 772 L N 6.341 127.609 121.223 0.075 0.000 2.325 772 L HA 0.267 4.606 4.340 -0.000 0.000 0.284 772 L C 0.916 177.695 176.870 -0.151 0.000 1.089 772 L CA 0.416 55.101 54.840 -0.259 0.000 0.836 772 L CB 0.292 42.196 42.059 -0.258 0.000 1.184 772 L HN 0.513 nan 8.230 nan 0.000 0.444 773 V N 3.794 123.613 119.914 -0.159 0.000 2.500 773 V HA 0.014 4.134 4.120 -0.000 0.000 0.243 773 V C 0.708 176.741 176.094 -0.103 0.000 1.039 773 V CA 1.101 63.353 62.300 -0.079 0.000 1.053 773 V CB 0.022 31.828 31.823 -0.029 0.000 0.695 773 V HN 0.965 nan 8.190 nan 0.000 0.463 774 C N -2.568 116.644 119.300 -0.147 0.000 3.288 774 C HA 0.862 5.322 4.460 -0.000 0.000 0.318 774 C C 0.653 175.526 174.990 -0.195 0.000 1.356 774 C CA -0.466 58.463 59.018 -0.148 0.000 1.359 774 C CB 0.971 28.640 27.740 -0.119 0.000 1.688 774 C HN 1.147 nan 8.230 nan 0.000 0.467 775 G N 0.636 109.314 108.800 -0.203 0.000 2.539 775 G HA2 0.355 4.314 3.960 -0.000 0.000 0.256 775 G HA3 0.355 4.314 3.960 -0.000 0.000 0.256 775 G C 1.118 175.859 174.900 -0.266 0.000 1.233 775 G CA 1.951 46.894 45.100 -0.262 0.000 0.936 775 G HN 3.238 nan 8.290 nan 0.000 0.571 776 G N -1.722 106.893 108.800 -0.308 0.000 2.176 776 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.232 776 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.232 776 G C 0.144 174.948 174.900 -0.159 0.000 0.986 776 G CA 1.223 46.256 45.100 -0.112 0.000 0.643 776 G HN 1.481 nan 8.290 nan 0.000 0.522 777 N N -0.269 118.100 118.700 -0.552 0.000 2.405 777 N HA 0.392 5.131 4.740 -0.000 0.000 0.285 777 N C -0.345 174.849 175.510 -0.527 0.000 1.262 777 N CA -0.591 52.258 53.050 -0.336 0.000 0.773 777 N CB 1.478 39.866 38.487 -0.165 0.000 1.490 777 N HN 0.375 nan 8.380 nan 0.000 0.486 778 Q N 0.832 120.605 119.800 -0.044 0.000 2.315 778 Q HA 0.104 4.444 4.340 -0.000 0.000 0.289 778 Q C -0.647 175.342 176.000 -0.019 0.000 1.044 778 Q CA -0.097 55.753 55.803 0.079 0.000 0.920 778 Q CB 0.589 29.433 28.738 0.178 0.000 1.214 778 Q HN 0.288 nan 8.270 nan 0.000 0.392 779 V N 7.173 127.103 119.914 0.027 0.000 2.521 779 V HA 0.133 4.253 4.120 -0.000 0.000 0.286 779 V C -2.045 174.052 176.094 0.004 0.000 1.034 779 V CA -1.263 61.030 62.300 -0.011 0.000 1.045 779 V CB 0.582 32.407 31.823 0.003 0.000 0.974 779 V HN 0.825 nan 8.190 nan 0.000 0.480 780 P HA 0.396 nan 4.420 nan 0.000 0.274 780 P C -0.487 176.778 177.300 -0.059 0.000 1.291 780 P CA -0.111 62.974 63.100 -0.025 0.000 0.815 780 P CB 0.216 31.897 31.700 -0.032 0.000 0.897 781 R N 2.116 122.589 120.500 -0.045 0.000 3.062 781 R HA 0.486 4.826 4.340 -0.000 0.000 0.279 781 R C -3.284 172.995 176.300 -0.036 0.000 1.003 781 R CA -1.721 54.325 56.100 -0.090 0.000 0.872 781 R CB -0.910 29.257 30.300 -0.222 0.000 1.280 781 R HN 0.001 nan 8.270 nan 0.000 0.516 782 P HA 0.291 nan 4.420 nan 0.000 0.267 782 P C 0.315 177.603 177.300 -0.020 0.000 1.201 782 P CA 1.600 64.670 63.100 -0.050 0.000 0.775 782 P CB 0.527 32.191 31.700 -0.060 0.000 0.854 783 G N 0.814 109.465 108.800 -0.248 0.000 2.615 783 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.218 783 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.218 783 G C -0.850 173.736 174.900 -0.523 0.000 1.339 783 G CA -0.673 44.064 45.100 -0.605 0.000 0.884 783 G HN 0.326 nan 8.290 nan 0.000 0.559 784 F N 0.414 120.369 119.950 0.008 0.000 2.530 784 F HA 0.575 5.102 4.527 -0.000 0.000 0.318 784 F C 0.192 175.937 175.800 -0.092 0.000 1.356 784 F CA -1.164 56.821 58.000 -0.026 0.000 1.135 784 F CB 0.133 39.081 39.000 -0.086 0.000 1.315 784 F HN 0.296 nan 8.300 nan 0.000 0.549 785 F N 0.906 120.939 119.950 0.137 0.000 2.394 785 F HA 0.467 4.993 4.527 -0.000 0.000 0.340 785 F C -0.166 175.760 175.800 0.210 0.000 1.105 785 F CA -0.802 57.270 58.000 0.120 0.000 1.124 785 F CB 1.098 40.124 39.000 0.043 0.000 1.145 785 F HN 0.056 nan 8.300 nan 0.000 0.505 786 F N 2.401 122.499 119.950 0.247 0.000 2.520 786 F HA 0.411 4.938 4.527 -0.000 0.000 0.322 786 F C -0.412 175.504 175.800 0.194 0.000 1.103 786 F CA -0.831 57.275 58.000 0.176 0.000 0.926 786 F CB 1.389 40.450 39.000 0.101 0.000 1.154 786 F HN 0.429 nan 8.300 nan 0.000 0.453 787 Q N 6.012 125.488 119.800 -0.539 0.000 2.332 787 Q HA 0.238 4.578 4.340 -0.000 0.000 0.263 787 Q C -2.323 173.468 176.000 -0.349 0.000 0.979 787 Q CA -1.688 53.877 55.803 -0.395 0.000 0.885 787 Q CB 0.478 28.941 28.738 -0.460 0.000 1.218 787 Q HN 0.314 nan 8.270 nan 0.000 0.405 788 P HA -0.058 nan 4.420 nan 0.000 0.262 788 P C -1.041 176.077 177.300 -0.305 0.000 1.182 788 P CA 0.507 63.235 63.100 -0.621 0.000 0.761 788 P CB 0.639 31.645 31.700 -1.156 0.000 0.795 789 T N 2.641 117.195 114.554 0.001 0.000 2.863 789 T HA 0.506 4.856 4.350 -0.000 0.000 0.285 789 T C -0.596 174.196 174.700 0.152 0.000 1.009 789 T CA -0.443 61.683 62.100 0.043 0.000 0.989 789 T CB 1.156 70.120 68.868 0.160 0.000 1.004 789 T HN -0.045 nan 8.240 nan 0.000 0.455 790 V N 3.414 123.323 119.914 -0.008 0.000 2.577 790 V HA 0.566 4.686 4.120 -0.000 0.000 0.303 790 V C -1.232 174.811 176.094 -0.086 0.000 1.042 790 V CA -0.845 61.486 62.300 0.051 0.000 0.872 790 V CB 1.381 33.241 31.823 0.062 0.000 0.998 790 V HN 0.792 nan 8.190 nan 0.000 0.423 791 F N 2.841 122.859 119.950 0.115 0.000 2.469 791 F HA 0.743 5.270 4.527 -0.000 0.000 0.332 791 F C 0.760 176.616 175.800 0.092 0.000 1.103 791 F CA -0.249 57.810 58.000 0.099 0.000 0.979 791 F CB 2.388 41.451 39.000 0.104 0.000 1.137 791 F HN 0.623 nan 8.300 nan 0.000 0.463 792 T N -2.047 112.694 114.554 0.311 0.000 2.807 792 T HA 0.390 4.739 4.350 -0.000 0.000 0.277 792 T C -0.615 174.209 174.700 0.206 0.000 1.006 792 T CA -0.839 61.416 62.100 0.259 0.000 1.006 792 T CB 1.489 70.520 68.868 0.272 0.000 1.274 792 T HN 0.531 nan 8.240 nan 0.000 0.569 793 D N -0.551 119.937 120.400 0.146 0.000 2.772 793 D HA -0.115 4.524 4.640 -0.000 0.000 0.233 793 D C -0.335 175.994 176.300 0.047 0.000 1.143 793 D CA 0.375 54.421 54.000 0.077 0.000 0.700 793 D CB -1.752 39.098 40.800 0.083 0.000 1.076 793 D HN 0.493 nan 8.370 nan 0.000 0.430 794 V N 0.553 120.483 119.914 0.027 0.000 2.498 794 V HA 0.184 4.303 4.120 -0.000 0.000 0.279 794 V C 0.907 176.961 176.094 -0.068 0.000 1.048 794 V CA 0.014 62.283 62.300 -0.051 0.000 0.967 794 V CB 1.694 33.472 31.823 -0.075 0.000 0.988 794 V HN 0.006 nan 8.190 nan 0.000 0.473 795 E N 2.558 122.679 120.200 -0.132 0.000 2.221 795 E HA 0.289 4.639 4.350 -0.000 0.000 0.268 795 E C -0.204 176.285 176.600 -0.185 0.000 0.933 795 E CA -0.798 55.536 56.400 -0.109 0.000 0.809 795 E CB 1.540 31.211 29.700 -0.048 0.000 1.190 795 E HN 0.582 nan 8.360 nan 0.000 0.406 796 D N 0.596 120.989 120.400 -0.012 0.000 2.221 796 D HA -0.168 4.472 4.640 -0.000 0.000 0.204 796 D C 1.547 177.850 176.300 0.005 0.000 0.982 796 D CA 1.427 55.447 54.000 0.033 0.000 0.857 796 D CB -0.206 40.665 40.800 0.119 0.000 0.934 796 D HN 0.556 nan 8.370 nan 0.000 0.475 797 H N -1.564 117.524 119.070 0.030 0.000 2.551 797 H HA 0.223 4.778 4.556 -0.000 0.000 0.266 797 H C 0.803 176.144 175.328 0.022 0.000 0.977 797 H CA -0.167 55.896 56.048 0.025 0.000 1.163 797 H CB -0.284 29.492 29.762 0.023 0.000 1.381 797 H HN -0.003 nan 8.280 nan 0.000 0.581 798 M N 0.662 120.006 119.600 -0.426 0.000 2.243 798 M HA 0.004 4.484 4.480 -0.000 0.000 0.341 798 M C 0.915 177.164 176.300 -0.084 0.000 1.130 798 M CA -0.255 54.890 55.300 -0.259 0.000 1.162 798 M CB 0.576 32.980 32.600 -0.327 0.000 1.497 798 M HN 0.265 nan 8.290 nan 0.000 0.456 799 Y N 3.296 123.502 120.300 -0.157 0.000 2.114 799 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 799 Y C 1.843 177.624 175.900 -0.199 0.000 1.165 799 Y CA 2.497 60.506 58.100 -0.151 0.000 1.148 799 Y CB -0.135 38.214 38.460 -0.185 0.000 0.972 799 Y HN 0.715 nan 8.280 nan 0.000 0.504 800 I N -1.354 119.076 120.570 -0.233 0.000 3.001 800 I HA 0.054 4.224 4.170 -0.000 0.000 0.268 800 I C 2.042 178.064 176.117 -0.159 0.000 1.267 800 I CA 1.282 62.386 61.300 -0.326 0.000 1.472 800 I CB -0.592 37.147 38.000 -0.434 0.000 1.089 800 I HN 0.204 nan 8.210 nan 0.000 0.468 801 A N 1.326 124.051 122.820 -0.159 0.000 2.169 801 A HA 0.077 4.397 4.320 -0.000 0.000 0.212 801 A C 2.205 179.759 177.584 -0.050 0.000 1.153 801 A CA 0.739 52.715 52.037 -0.102 0.000 0.756 801 A CB -0.176 18.760 19.000 -0.106 0.000 0.813 801 A HN 0.513 nan 8.150 nan 0.000 0.471 802 K N -0.830 119.516 120.400 -0.090 0.000 2.367 802 K HA 0.136 4.456 4.320 -0.000 0.000 0.198 802 K C 0.383 176.967 176.600 -0.026 0.000 1.132 802 K CA 0.151 56.416 56.287 -0.037 0.000 0.941 802 K CB 0.424 32.897 32.500 -0.044 0.000 1.052 802 K HN 0.352 nan 8.250 nan 0.000 0.507 803 E N 2.505 122.584 120.200 -0.203 0.000 2.249 803 E HA 0.027 4.376 4.350 -0.000 0.000 0.280 803 E C -1.051 175.577 176.600 0.046 0.000 1.016 803 E CA -0.366 55.936 56.400 -0.163 0.000 0.830 803 E CB 1.059 30.364 29.700 -0.658 0.000 1.081 803 E HN 0.028 nan 8.360 nan 0.000 0.395 804 E N 2.774 122.993 120.200 0.033 0.000 2.324 804 E HA 0.014 4.363 4.350 -0.000 0.000 0.271 804 E C 0.205 176.817 176.600 0.020 0.000 1.028 804 E CA 0.224 56.626 56.400 0.003 0.000 0.890 804 E CB 0.664 30.291 29.700 -0.121 0.000 1.004 804 E HN 0.680 nan 8.360 nan 0.000 0.431 805 S N 4.612 120.233 115.700 -0.132 0.000 2.406 805 S HA -0.102 4.368 4.470 -0.000 0.000 0.224 805 S C 0.912 175.525 174.600 0.020 0.000 1.030 805 S CA 0.213 58.144 58.200 -0.448 0.000 0.958 805 S CB -0.243 62.393 63.200 -0.940 0.000 0.811 805 S HN 0.790 nan 8.310 nan 0.000 0.489 806 F N 1.474 121.374 119.950 -0.084 0.000 3.093 806 F HA -0.058 4.469 4.527 -0.000 0.000 0.287 806 F C 0.528 176.430 175.800 0.169 0.000 0.882 806 F CA 0.519 58.538 58.000 0.031 0.000 1.063 806 F CB -1.173 37.845 39.000 0.030 0.000 1.097 806 F HN 0.583 nan 8.300 nan 0.000 0.604 807 G N -0.628 108.198 108.800 0.044 0.000 2.798 807 G HA2 0.666 4.626 3.960 -0.000 0.000 0.286 807 G HA3 0.666 4.626 3.960 -0.000 0.000 0.286 807 G C -3.015 171.941 174.900 0.093 0.000 1.389 807 G CA -0.806 44.304 45.100 0.016 0.000 0.894 807 G HN -0.121 nan 8.290 nan 0.000 0.488 808 P HA 0.332 nan 4.420 nan 0.000 0.225 808 P C -0.759 176.845 177.300 0.508 0.000 1.813 808 P CA 0.066 63.441 63.100 0.458 0.000 1.013 808 P CB -0.338 31.623 31.700 0.435 0.000 1.961 809 I N 2.183 122.959 120.570 0.343 0.000 2.448 809 I HA 0.359 4.529 4.170 -0.000 0.000 0.281 809 I C 0.364 176.629 176.117 0.245 0.000 1.027 809 I CA -0.814 60.694 61.300 0.347 0.000 1.111 809 I CB 2.034 40.215 38.000 0.302 0.000 1.236 809 I HN 0.037 nan 8.210 nan 0.000 0.452 810 M N 7.535 127.283 119.600 0.246 0.000 2.120 810 M HA 0.498 4.977 4.480 -0.000 0.000 0.354 810 M C -1.215 175.197 176.300 0.186 0.000 1.287 810 M CA 0.015 55.368 55.300 0.088 0.000 1.103 810 M CB 0.623 33.230 32.600 0.011 0.000 1.623 810 M HN 0.495 nan 8.290 nan 0.000 0.471 811 I N 7.421 128.053 120.570 0.105 0.000 2.437 811 I HA 0.351 4.521 4.170 -0.000 0.000 0.279 811 I C -0.941 175.168 176.117 -0.014 0.000 1.028 811 I CA -0.288 61.077 61.300 0.109 0.000 1.142 811 I CB 0.924 38.964 38.000 0.068 0.000 1.266 811 I HN 0.656 nan 8.210 nan 0.000 0.461 812 I N 4.656 125.257 120.570 0.053 0.000 2.377 812 I HA 0.416 4.586 4.170 -0.000 0.000 0.293 812 I C -0.091 176.038 176.117 0.019 0.000 0.987 812 I CA -0.217 61.093 61.300 0.017 0.000 1.185 812 I CB 1.774 39.849 38.000 0.126 0.000 1.341 812 I HN 0.411 nan 8.210 nan 0.000 0.455 813 S N 5.298 120.943 115.700 -0.091 0.000 2.513 813 S HA 0.554 5.024 4.470 -0.000 0.000 0.299 813 S C -0.262 174.405 174.600 0.113 0.000 1.087 813 S CA -0.867 57.320 58.200 -0.022 0.000 1.012 813 S CB 1.831 64.957 63.200 -0.122 0.000 1.044 813 S HN 0.486 nan 8.310 nan 0.000 0.485 814 R N 1.056 121.590 120.500 0.057 0.000 2.641 814 R HA 0.505 4.845 4.340 -0.000 0.000 0.269 814 R C -0.518 175.911 176.300 0.215 0.000 1.074 814 R CA -0.083 56.034 56.100 0.030 0.000 1.133 814 R CB 0.332 30.525 30.300 -0.178 0.000 1.029 814 R HN 0.646 nan 8.270 nan 0.000 0.488 815 F N -1.073 118.900 119.950 0.039 0.000 2.620 815 F HA 0.728 5.254 4.527 -0.000 0.000 0.320 815 F C -0.737 175.070 175.800 0.012 0.000 1.069 815 F CA -1.678 56.340 58.000 0.030 0.000 0.953 815 F CB 0.933 39.937 39.000 0.006 0.000 1.322 815 F HN 0.495 nan 8.300 nan 0.000 0.479 816 A N 1.488 124.403 122.820 0.159 0.000 2.440 816 A HA 0.267 4.586 4.320 -0.000 0.000 0.251 816 A C -0.322 177.270 177.584 0.012 0.000 1.089 816 A CA -0.472 51.593 52.037 0.047 0.000 0.779 816 A CB -0.314 18.744 19.000 0.097 0.000 1.022 816 A HN 0.733 nan 8.150 nan 0.000 0.492 817 D N 1.384 121.755 120.400 -0.049 0.000 2.531 817 D HA 0.290 4.930 4.640 -0.000 0.000 0.239 817 D C 1.426 177.774 176.300 0.080 0.000 1.144 817 D CA 2.166 56.158 54.000 -0.014 0.000 0.869 817 D CB 0.539 41.332 40.800 -0.012 0.000 1.160 817 D HN 1.100 nan 8.370 nan 0.000 0.484 818 G N 2.612 111.499 108.800 0.145 0.000 2.205 818 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.261 818 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.261 818 G C 0.217 175.235 174.900 0.196 0.000 0.980 818 G CA 0.491 45.683 45.100 0.154 0.000 0.632 818 G HN 0.705 nan 8.290 nan 0.000 0.533 819 D N -0.101 120.461 120.400 0.271 0.000 2.264 819 D HA 0.582 5.221 4.640 -0.000 0.000 0.249 819 D C 1.095 177.611 176.300 0.361 0.000 1.070 819 D CA 0.193 54.352 54.000 0.265 0.000 0.912 819 D CB 1.674 42.624 40.800 0.249 0.000 1.193 819 D HN 0.272 nan 8.370 nan 0.000 0.427 820 V N 2.055 122.107 119.914 0.230 0.000 3.102 820 V HA 0.031 4.151 4.120 -0.000 0.000 0.225 820 V C 1.442 177.615 176.094 0.131 0.000 1.301 820 V CA 0.217 62.661 62.300 0.241 0.000 1.308 820 V CB -0.300 31.659 31.823 0.228 0.000 1.129 820 V HN 0.527 nan 8.190 nan 0.000 0.502 821 D N 1.344 121.822 120.400 0.129 0.000 2.144 821 D HA -0.076 4.563 4.640 -0.000 0.000 0.199 821 D C 2.101 178.404 176.300 0.005 0.000 0.984 821 D CA 1.661 55.718 54.000 0.094 0.000 0.834 821 D CB -0.081 40.781 40.800 0.102 0.000 0.955 821 D HN 0.418 nan 8.370 nan 0.000 0.465 822 A N 0.517 123.341 122.820 0.006 0.000 1.873 822 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 822 A C 2.415 179.923 177.584 -0.127 0.000 1.186 822 A CA 1.304 53.326 52.037 -0.026 0.000 0.616 822 A CB -0.882 18.132 19.000 0.025 0.000 0.823 822 A HN 0.185 nan 8.150 nan 0.000 0.442 823 V N 0.005 119.788 119.914 -0.219 0.000 2.427 823 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 823 V C 2.407 178.164 176.094 -0.562 0.000 1.051 823 V CA 2.019 63.999 62.300 -0.533 0.000 1.048 823 V CB -0.458 30.749 31.823 -1.027 0.000 0.666 823 V HN 0.575 nan 8.190 nan 0.000 0.456 824 L N -0.268 120.756 121.223 -0.333 0.000 2.042 824 L HA -0.177 4.162 4.340 -0.000 0.000 0.210 824 L C 2.701 179.437 176.870 -0.223 0.000 1.076 824 L CA 2.042 56.727 54.840 -0.258 0.000 0.749 824 L CB -0.692 41.284 42.059 -0.138 0.000 0.893 824 L HN 0.316 nan 8.230 nan 0.000 0.432 825 S N -0.422 115.180 115.700 -0.164 0.000 2.359 825 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 825 S C 2.015 176.537 174.600 -0.131 0.000 1.035 825 S CA 1.412 59.544 58.200 -0.114 0.000 1.018 825 S CB -0.253 62.906 63.200 -0.067 0.000 0.876 825 S HN 0.378 nan 8.310 nan 0.000 0.448 826 R N 1.127 121.504 120.500 -0.204 0.000 2.075 826 R HA 0.046 4.386 4.340 -0.000 0.000 0.232 826 R C 2.560 178.750 176.300 -0.184 0.000 1.126 826 R CA 1.212 57.211 56.100 -0.168 0.000 0.963 826 R CB -0.472 29.707 30.300 -0.202 0.000 0.858 826 R HN 0.397 nan 8.270 nan 0.000 0.435 827 A N 1.390 123.933 122.820 -0.462 0.000 1.969 827 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 827 A C 1.542 179.093 177.584 -0.056 0.000 1.169 827 A CA 1.270 53.145 52.037 -0.271 0.000 0.635 827 A CB -0.218 18.535 19.000 -0.412 0.000 0.810 827 A HN 0.212 nan 8.150 nan 0.000 0.445 828 N N -0.111 118.538 118.700 -0.085 0.000 2.398 828 N HA 0.144 4.884 4.740 -0.000 0.000 0.188 828 N C 1.460 176.966 175.510 -0.006 0.000 1.122 828 N CA 0.824 53.854 53.050 -0.033 0.000 0.866 828 N CB -0.083 38.373 38.487 -0.052 0.000 0.970 828 N HN 0.447 nan 8.380 nan 0.000 0.462 829 A N 0.134 122.956 122.820 0.003 0.000 2.125 829 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 829 A C 1.466 179.058 177.584 0.015 0.000 1.156 829 A CA 0.866 52.911 52.037 0.013 0.000 0.671 829 A CB -0.447 18.571 19.000 0.030 0.000 0.794 829 A HN 0.227 nan 8.150 nan 0.000 0.459 830 T N -1.085 113.489 114.554 0.034 0.000 2.899 830 T HA 0.188 4.538 4.350 -0.000 0.000 0.295 830 T C 0.817 175.490 174.700 -0.046 0.000 1.033 830 T CA -0.322 61.795 62.100 0.028 0.000 1.084 830 T CB 0.575 69.518 68.868 0.124 0.000 0.979 830 T HN 0.265 nan 8.240 nan 0.000 0.532 831 E N 2.233 122.321 120.200 -0.187 0.000 2.481 831 E HA 0.089 4.439 4.350 -0.000 0.000 0.195 831 E C 0.015 176.399 176.600 -0.361 0.000 1.047 831 E CA 0.142 56.371 56.400 -0.285 0.000 0.867 831 E CB -0.005 29.477 29.700 -0.364 0.000 0.858 831 E HN 0.561 nan 8.360 nan 0.000 0.513 832 F N 0.122 120.086 119.950 0.025 0.000 2.375 832 F HA 0.448 4.975 4.527 -0.000 0.000 0.313 832 F C 1.566 177.378 175.800 0.020 0.000 1.176 832 F CA -0.091 57.921 58.000 0.020 0.000 1.142 832 F CB 0.972 39.982 39.000 0.015 0.000 1.275 832 F HN -0.135 nan 8.300 nan 0.000 0.544 833 G N 0.577 109.508 108.800 0.218 0.000 5.569 833 G HA2 0.231 4.191 3.960 -0.000 0.000 0.192 833 G HA3 0.231 4.191 3.960 -0.000 0.000 0.192 833 G C -0.027 174.806 174.900 -0.110 0.000 0.708 833 G CA -0.190 44.951 45.100 0.069 0.000 0.628 833 G HN 0.545 nan 8.290 nan 0.000 0.345 834 L N 0.531 121.700 121.223 -0.090 0.000 2.121 834 L HA 0.823 5.163 4.340 -0.000 0.000 0.200 834 L C 1.159 177.826 176.870 -0.339 0.000 1.077 834 L CA 2.030 56.735 54.840 -0.225 0.000 0.766 834 L CB 0.008 41.983 42.059 -0.139 0.000 0.931 834 L HN 0.390 nan 8.230 nan 0.000 0.452 835 A N -2.030 120.671 122.820 -0.200 0.000 2.552 835 A HA 0.846 5.166 4.320 -0.000 0.000 0.288 835 A C -0.910 176.632 177.584 -0.070 0.000 1.193 835 A CA 0.190 52.096 52.037 -0.218 0.000 0.713 835 A CB 1.128 20.053 19.000 -0.125 0.000 1.305 835 A HN 0.375 nan 8.150 nan 0.000 0.424 836 S N -1.964 113.706 115.700 -0.050 0.000 2.627 836 S HA 0.789 5.259 4.470 -0.000 0.000 0.268 836 S C -0.483 174.212 174.600 0.158 0.000 1.130 836 S CA -0.130 58.118 58.200 0.080 0.000 0.819 836 S CB 0.746 63.935 63.200 -0.019 0.000 1.100 836 S HN 2.466 nan 8.310 nan 0.000 0.465 837 G N -0.839 108.102 108.800 0.234 0.000 2.704 837 G HA2 0.732 4.692 3.960 -0.000 0.000 0.293 837 G HA3 0.732 4.692 3.960 -0.000 0.000 0.293 837 G C -1.916 173.042 174.900 0.098 0.000 1.421 837 G CA -0.358 44.901 45.100 0.266 0.000 0.870 837 G HN 1.632 nan 8.290 nan 0.000 0.492 838 V N 0.565 120.572 119.914 0.155 0.000 2.733 838 V HA 0.772 4.892 4.120 -0.000 0.000 0.306 838 V C -1.757 174.583 176.094 0.410 0.000 1.084 838 V CA -0.995 61.412 62.300 0.178 0.000 0.905 838 V CB 1.545 33.516 31.823 0.246 0.000 1.010 838 V HN 0.560 nan 8.190 nan 0.000 0.424 839 F N 4.439 124.545 119.950 0.260 0.000 2.402 839 F HA 0.851 5.377 4.527 -0.000 0.000 0.355 839 F C 0.385 176.370 175.800 0.307 0.000 1.123 839 F CA -0.690 57.450 58.000 0.233 0.000 1.021 839 F CB 1.607 40.716 39.000 0.183 0.000 1.160 839 F HN 0.581 nan 8.300 nan 0.000 0.451 840 T N 2.757 117.554 114.554 0.405 0.000 2.977 840 T HA 0.299 4.649 4.350 -0.000 0.000 0.345 840 T C 0.489 175.279 174.700 0.149 0.000 1.562 840 T CA -0.609 61.654 62.100 0.271 0.000 1.090 840 T CB 1.206 70.161 68.868 0.144 0.000 1.383 840 T HN 0.706 nan 8.240 nan 0.000 0.484 841 R N 1.085 121.647 120.500 0.103 0.000 2.299 841 R HA 0.103 4.443 4.340 -0.000 0.000 0.197 841 R C -0.069 176.249 176.300 0.030 0.000 0.971 841 R CA 0.041 56.177 56.100 0.061 0.000 1.030 841 R CB 0.163 30.494 30.300 0.053 0.000 0.932 841 R HN 0.482 nan 8.270 nan 0.000 0.477 842 D N 1.178 121.580 120.400 0.004 0.000 2.339 842 D HA 0.009 4.649 4.640 -0.000 0.000 0.241 842 D C 0.944 177.228 176.300 -0.027 0.000 1.183 842 D CA -0.112 53.869 54.000 -0.032 0.000 0.859 842 D CB 0.824 41.570 40.800 -0.089 0.000 1.067 842 D HN -0.001 nan 8.370 nan 0.000 0.484 843 I N 4.183 124.747 120.570 -0.008 0.000 2.264 843 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 843 I C 1.266 177.382 176.117 -0.002 0.000 1.111 843 I CA 0.997 62.299 61.300 0.004 0.000 1.382 843 I CB 0.175 38.179 38.000 0.008 0.000 1.060 843 I HN 0.322 nan 8.210 nan 0.000 0.418 844 N N 1.210 119.897 118.700 -0.021 0.000 2.120 844 N HA -0.194 4.545 4.740 -0.000 0.000 0.188 844 N C 1.751 177.250 175.510 -0.018 0.000 1.024 844 N CA 1.286 54.323 53.050 -0.023 0.000 0.852 844 N CB -0.325 38.131 38.487 -0.052 0.000 1.003 844 N HN 0.410 nan 8.380 nan 0.000 0.424 845 K N 0.780 121.129 120.400 -0.084 0.000 2.026 845 K HA 0.019 4.339 4.320 -0.000 0.000 0.208 845 K C 2.080 178.666 176.600 -0.022 0.000 1.048 845 K CA 1.153 57.360 56.287 -0.133 0.000 0.929 845 K CB -0.144 32.095 32.500 -0.436 0.000 0.713 845 K HN 0.121 nan 8.250 nan 0.000 0.439 846 A N 1.467 124.283 122.820 -0.007 0.000 1.883 846 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 846 A C 2.124 179.746 177.584 0.064 0.000 1.186 846 A CA 1.394 53.465 52.037 0.056 0.000 0.624 846 A CB -0.690 18.349 19.000 0.065 0.000 0.822 846 A HN 0.173 nan 8.150 nan 0.000 0.444 847 L N -2.436 118.823 121.223 0.061 0.000 2.056 847 L HA -0.163 4.176 4.340 -0.000 0.000 0.207 847 L C 2.625 179.546 176.870 0.085 0.000 1.078 847 L CA 1.744 56.621 54.840 0.061 0.000 0.749 847 L CB -0.676 41.417 42.059 0.056 0.000 0.901 847 L HN 0.580 nan 8.230 nan 0.000 0.433 848 Y N 0.443 120.731 120.300 -0.019 0.000 2.145 848 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 848 Y C 2.431 178.326 175.900 -0.008 0.000 1.145 848 Y CA 1.568 59.657 58.100 -0.018 0.000 1.148 848 Y CB -0.337 38.105 38.460 -0.030 0.000 0.981 848 Y HN -0.183 nan 8.280 nan 0.000 0.507 849 V N 0.267 120.206 119.914 0.041 0.000 2.332 849 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 849 V C 2.641 178.689 176.094 -0.075 0.000 1.055 849 V CA 2.234 64.517 62.300 -0.028 0.000 1.038 849 V CB -1.238 30.659 31.823 0.124 0.000 0.651 849 V HN 0.662 nan 8.190 nan 0.000 0.450 850 S N -0.346 115.335 115.700 -0.031 0.000 2.402 850 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 850 S C 1.656 176.211 174.600 -0.074 0.000 1.021 850 S CA 1.523 59.697 58.200 -0.042 0.000 0.974 850 S CB -0.512 62.679 63.200 -0.015 0.000 0.800 850 S HN 0.564 nan 8.310 nan 0.000 0.484 851 D N 1.789 122.127 120.400 -0.104 0.000 2.104 851 D HA -0.024 4.616 4.640 -0.000 0.000 0.194 851 D C 1.983 178.187 176.300 -0.160 0.000 0.994 851 D CA 1.139 55.065 54.000 -0.124 0.000 0.830 851 D CB -0.116 40.591 40.800 -0.154 0.000 0.959 851 D HN 0.347 nan 8.370 nan 0.000 0.452 852 K N 0.007 120.249 120.400 -0.262 0.000 2.314 852 K HA 0.110 4.429 4.320 -0.000 0.000 0.198 852 K C 0.750 177.262 176.600 -0.147 0.000 1.045 852 K CA -0.105 56.026 56.287 -0.261 0.000 0.988 852 K CB 0.099 32.337 32.500 -0.436 0.000 0.783 852 K HN 0.215 nan 8.250 nan 0.000 0.484 853 L N 2.857 124.012 121.223 -0.113 0.000 2.462 853 L HA -0.014 4.326 4.340 -0.000 0.000 0.272 853 L C 0.643 177.508 176.870 -0.009 0.000 1.166 853 L CA 0.034 54.833 54.840 -0.068 0.000 0.880 853 L CB 0.422 42.440 42.059 -0.068 0.000 1.142 853 L HN -0.069 nan 8.230 nan 0.000 0.473 854 Q N 4.351 124.164 119.800 0.020 0.000 3.150 854 Q HA 0.459 4.798 4.340 -0.000 0.000 0.297 854 Q C -0.432 175.664 176.000 0.160 0.000 1.382 854 Q CA -0.084 55.794 55.803 0.126 0.000 1.059 854 Q CB 0.870 29.658 28.738 0.083 0.000 1.559 854 Q HN 0.629 nan 8.270 nan 0.000 0.548 855 A N -1.157 121.686 122.820 0.038 0.000 2.572 855 A HA 0.695 5.014 4.320 -0.000 0.000 0.295 855 A C 0.962 178.012 177.584 -0.890 0.000 1.072 855 A CA -0.238 51.597 52.037 -0.336 0.000 0.691 855 A CB 1.091 19.955 19.000 -0.228 0.000 1.291 855 A HN 0.369 nan 8.150 nan 0.000 0.404 856 G N -0.102 107.893 108.800 -1.341 0.000 2.443 856 G HA2 0.301 4.261 3.960 -0.000 0.000 0.219 856 G HA3 0.301 4.261 3.960 -0.000 0.000 0.219 856 G C 0.492 174.968 174.900 -0.708 0.000 1.131 856 G CA 1.659 45.935 45.100 -1.374 0.000 0.775 856 G HN 0.836 nan 8.290 nan 0.000 0.547 857 T N -0.413 113.759 114.554 -0.636 0.000 2.886 857 T HA 0.523 4.873 4.350 -0.000 0.000 0.292 857 T C -1.140 173.184 174.700 -0.627 0.000 1.012 857 T CA -0.412 61.303 62.100 -0.641 0.000 0.982 857 T CB 2.796 71.173 68.868 -0.819 0.000 1.018 857 T HN -0.107 nan 8.240 nan 0.000 0.451 858 V N 3.818 123.394 119.914 -0.563 0.000 2.444 858 V HA 0.538 4.657 4.120 -0.000 0.000 0.294 858 V C -1.023 174.803 176.094 -0.447 0.000 1.022 858 V CA -0.900 61.155 62.300 -0.408 0.000 0.850 858 V CB 0.975 32.685 31.823 -0.189 0.000 0.992 858 V HN 0.770 nan 8.190 nan 0.000 0.426 859 F N 4.808 124.688 119.950 -0.117 0.000 2.394 859 F HA 0.616 5.143 4.527 -0.000 0.000 0.340 859 F C 0.317 176.161 175.800 0.073 0.000 1.105 859 F CA -0.805 57.156 58.000 -0.066 0.000 1.124 859 F CB 1.201 40.097 39.000 -0.173 0.000 1.145 859 F HN 0.235 nan 8.300 nan 0.000 0.505 860 I N 3.845 124.588 120.570 0.288 0.000 2.410 860 I HA 0.231 4.401 4.170 -0.000 0.000 0.286 860 I C -0.353 175.927 176.117 0.273 0.000 1.009 860 I CA -0.687 60.771 61.300 0.263 0.000 1.111 860 I CB 1.111 39.205 38.000 0.158 0.000 1.262 860 I HN 0.588 nan 8.210 nan 0.000 0.443 861 N N 2.260 121.187 118.700 0.379 0.000 2.714 861 N HA -0.182 4.558 4.740 -0.000 0.000 0.250 861 N C -0.174 175.355 175.510 0.031 0.000 1.117 861 N CA 1.397 54.542 53.050 0.159 0.000 0.719 861 N CB -0.810 37.722 38.487 0.076 0.000 1.081 861 N HN 0.802 nan 8.380 nan 0.000 0.557 862 T N -1.877 112.810 114.554 0.222 0.000 2.693 862 T HA 0.625 4.974 4.350 -0.000 0.000 0.304 862 T C -2.233 172.616 174.700 0.249 0.000 1.471 862 T CA -0.525 61.646 62.100 0.119 0.000 0.993 862 T CB 1.389 70.277 68.868 0.033 0.000 1.554 862 T HN 0.115 nan 8.240 nan 0.000 0.496 863 Y N 0.971 121.146 120.300 -0.208 0.000 2.581 863 Y HA 0.417 4.967 4.550 -0.000 0.000 0.337 863 Y C 0.302 175.678 175.900 -0.872 0.000 1.108 863 Y CA -0.485 57.245 58.100 -0.616 0.000 1.033 863 Y CB 1.540 39.904 38.460 -0.159 0.000 1.318 863 Y HN 0.840 nan 8.280 nan 0.000 0.459 864 N N 1.350 119.187 118.700 -1.438 0.000 2.782 864 N HA -0.213 4.527 4.740 -0.000 0.000 0.251 864 N C -0.583 174.588 175.510 -0.565 0.000 1.101 864 N CA 1.100 53.716 53.050 -0.723 0.000 0.764 864 N CB -0.693 37.500 38.487 -0.491 0.000 1.122 864 N HN 0.416 nan 8.380 nan 0.000 0.561 865 K N 1.954 121.944 120.400 -0.683 0.000 2.333 865 K HA 0.167 4.487 4.320 -0.000 0.000 0.241 865 K C 0.066 176.741 176.600 0.124 0.000 1.193 865 K CA -0.165 56.022 56.287 -0.166 0.000 1.142 865 K CB -0.405 32.046 32.500 -0.082 0.000 1.731 865 K HN 0.268 nan 8.250 nan 0.000 0.344 866 T N -1.098 113.509 114.554 0.087 0.000 2.849 866 T HA 0.369 4.718 4.350 -0.000 0.000 0.284 866 T C -0.353 174.342 174.700 -0.008 0.000 1.004 866 T CA -0.793 61.378 62.100 0.119 0.000 1.021 866 T CB 1.237 70.198 68.868 0.155 0.000 1.013 866 T HN 0.418 nan 8.240 nan 0.000 0.527 867 D N 0.005 120.347 120.400 -0.097 0.000 2.837 867 D HA 0.138 4.778 4.640 -0.000 0.000 0.220 867 D C 1.290 177.396 176.300 -0.323 0.000 1.236 867 D CA -0.636 53.266 54.000 -0.164 0.000 0.838 867 D CB 2.515 43.240 40.800 -0.126 0.000 1.647 867 D HN 0.469 nan 8.370 nan 0.000 0.486 868 V N 1.432 121.109 119.914 -0.395 0.000 2.828 868 V HA -0.033 4.086 4.120 -0.000 0.000 0.260 868 V C 1.687 177.185 176.094 -0.993 0.000 1.101 868 V CA 1.961 63.886 62.300 -0.625 0.000 1.123 868 V CB -0.900 30.609 31.823 -0.523 0.000 0.704 868 V HN 0.525 nan 8.190 nan 0.000 0.493 869 A N -0.018 122.303 122.820 -0.831 0.000 2.218 869 A HA 0.723 5.042 4.320 -0.000 0.000 0.209 869 A C 1.389 178.815 177.584 -0.263 0.000 1.168 869 A CA 0.594 52.215 52.037 -0.693 0.000 0.804 869 A CB -0.334 18.458 19.000 -0.346 0.000 0.834 869 A HN 1.041 nan 8.150 nan 0.000 0.482 870 A N 1.590 124.267 122.820 -0.240 0.000 2.258 870 A HA 0.647 4.966 4.320 -0.000 0.000 0.316 870 A C -2.823 174.697 177.584 -0.106 0.000 1.279 870 A CA -1.885 50.078 52.037 -0.123 0.000 0.876 870 A CB 0.371 19.314 19.000 -0.096 0.000 1.170 870 A HN 0.148 nan 8.150 nan 0.000 0.520 871 P HA 0.192 nan 4.420 nan 0.000 0.269 871 P C -0.893 176.411 177.300 0.005 0.000 1.209 871 P CA 0.322 63.414 63.100 -0.013 0.000 0.776 871 P CB 0.305 32.012 31.700 0.012 0.000 0.876 872 F N 2.165 122.027 119.950 -0.147 0.000 2.553 872 F HA 0.645 5.171 4.527 -0.000 0.000 0.335 872 F C -0.297 175.466 175.800 -0.061 0.000 1.148 872 F CA 0.145 58.063 58.000 -0.138 0.000 0.963 872 F CB 1.429 40.300 39.000 -0.214 0.000 1.217 872 F HN 0.540 nan 8.300 nan 0.000 0.441 873 G N 2.666 111.320 108.800 -0.243 0.000 2.523 873 G HA2 0.488 4.448 3.960 -0.000 0.000 0.291 873 G HA3 0.488 4.448 3.960 -0.000 0.000 0.291 873 G C -1.485 173.261 174.900 -0.256 0.000 1.450 873 G CA -0.307 44.726 45.100 -0.112 0.000 0.790 873 G HN 0.910 nan 8.290 nan 0.000 0.496 874 G N -1.300 107.427 108.800 -0.122 0.000 2.491 874 G HA2 0.720 4.680 3.960 -0.000 0.000 0.327 874 G HA3 0.720 4.680 3.960 -0.000 0.000 0.327 874 G C -1.085 173.886 174.900 0.119 0.000 1.189 874 G CA -0.620 44.390 45.100 -0.150 0.000 0.956 874 G HN 0.355 nan 8.290 nan 0.000 0.491 875 F N -0.318 119.634 119.950 0.003 0.000 2.572 875 F HA 0.613 5.139 4.527 -0.000 0.000 0.342 875 F C 1.186 177.010 175.800 0.041 0.000 1.064 875 F CA -1.273 56.742 58.000 0.024 0.000 1.008 875 F CB 1.176 40.173 39.000 -0.004 0.000 1.303 875 F HN 0.627 nan 8.300 nan 0.000 0.492 876 K N -0.341 120.210 120.400 0.250 0.000 1.939 876 K HA -0.305 4.015 4.320 -0.000 0.000 0.165 876 K C 0.830 177.491 176.600 0.103 0.000 1.508 876 K CA 1.635 57.997 56.287 0.124 0.000 0.525 876 K CB -0.821 31.729 32.500 0.083 0.000 0.615 876 K HN 0.687 nan 8.250 nan 0.000 0.888 877 Q N 0.644 120.458 119.800 0.024 0.000 2.415 877 Q HA 0.067 4.407 4.340 -0.000 0.000 0.206 877 Q C 1.300 177.412 176.000 0.188 0.000 0.946 877 Q CA 0.409 56.218 55.803 0.011 0.000 0.951 877 Q CB 0.226 28.854 28.738 -0.184 0.000 1.026 877 Q HN 0.328 nan 8.270 nan 0.000 0.510 878 S N -0.069 115.781 115.700 0.251 0.000 2.522 878 S HA 0.109 4.578 4.470 -0.000 0.000 0.227 878 S C 0.880 175.521 174.600 0.069 0.000 0.986 878 S CA 0.557 58.893 58.200 0.227 0.000 0.929 878 S CB 0.250 63.547 63.200 0.161 0.000 0.769 878 S HN 0.688 nan 8.310 nan 0.000 0.529 879 G N 1.012 109.824 108.800 0.020 0.000 2.341 879 G HA2 0.107 4.067 3.960 -0.000 0.000 0.196 879 G HA3 0.107 4.067 3.960 -0.000 0.000 0.196 879 G C -1.144 173.705 174.900 -0.085 0.000 1.231 879 G CA -0.451 44.512 45.100 -0.228 0.000 1.155 879 G HN 0.678 nan 8.290 nan 0.000 0.529 880 F N -2.129 117.880 119.950 0.098 0.000 2.770 880 F HA 0.787 5.313 4.527 -0.000 0.000 0.313 880 F C 0.409 176.250 175.800 0.067 0.000 1.154 880 F CA -0.252 57.800 58.000 0.087 0.000 0.923 880 F CB 1.051 40.084 39.000 0.056 0.000 1.301 880 F HN 2.515 nan 8.300 nan 0.000 0.449 881 G N 1.642 110.644 108.800 0.336 0.000 2.692 881 G HA2 0.283 4.242 3.960 -0.000 0.000 0.686 881 G HA3 0.283 4.242 3.960 -0.000 0.000 0.686 881 G C -1.915 173.070 174.900 0.141 0.000 1.243 881 G CA -1.177 44.044 45.100 0.202 0.000 0.782 881 G HN 0.695 nan 8.290 nan 0.000 0.625 882 K N 1.068 121.533 120.400 0.108 0.000 2.259 882 K HA 0.589 4.908 4.320 -0.000 0.000 0.252 882 K C -0.576 176.098 176.600 0.122 0.000 0.936 882 K CA -0.861 55.495 56.287 0.114 0.000 0.810 882 K CB 1.952 34.503 32.500 0.085 0.000 1.143 882 K HN 0.584 nan 8.250 nan 0.000 0.427 883 D N 1.999 122.491 120.400 0.154 0.000 2.217 883 D HA 0.534 5.174 4.640 -0.000 0.000 0.248 883 D C 0.541 176.818 176.300 -0.038 0.000 1.008 883 D CA -0.384 53.663 54.000 0.079 0.000 0.914 883 D CB 0.986 41.852 40.800 0.109 0.000 1.182 883 D HN 0.372 nan 8.370 nan 0.000 0.451 884 L N -0.392 120.818 121.223 -0.022 0.000 0.584 884 L HA -0.119 4.221 4.340 -0.000 0.000 0.356 884 L C 0.723 177.669 176.870 0.126 0.000 0.992 884 L CA 0.431 55.266 54.840 -0.009 0.000 1.223 884 L CB -1.305 40.472 42.059 -0.471 0.000 0.009 884 L HN 0.858 nan 8.230 nan 0.000 0.091 885 G N 0.232 109.048 108.800 0.027 0.000 2.888 885 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.441 885 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.441 885 G C 0.399 175.477 174.900 0.296 0.000 1.461 885 G CA 0.796 45.975 45.100 0.132 0.000 0.897 885 G HN 1.189 nan 8.290 nan 0.000 0.547 886 E N -0.016 120.303 120.200 0.199 0.000 2.118 886 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 886 E C 2.862 179.382 176.600 -0.133 0.000 0.992 886 E CA 2.043 58.304 56.400 -0.232 0.000 0.804 886 E CB -0.369 29.195 29.700 -0.228 0.000 0.741 886 E HN 1.113 nan 8.360 nan 0.000 0.458 887 A N 1.109 123.925 122.820 -0.006 0.000 1.978 887 A HA -0.161 4.158 4.320 -0.000 0.000 0.220 887 A C 2.382 179.987 177.584 0.034 0.000 1.170 887 A CA 1.788 53.828 52.037 0.005 0.000 0.636 887 A CB -0.755 18.262 19.000 0.029 0.000 0.810 887 A HN 0.433 nan 8.150 nan 0.000 0.448 888 A N -0.267 122.616 122.820 0.105 0.000 1.978 888 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 888 A C 2.094 179.742 177.584 0.107 0.000 1.170 888 A CA 1.473 53.581 52.037 0.119 0.000 0.636 888 A CB -0.573 18.526 19.000 0.164 0.000 0.810 888 A HN 0.506 nan 8.150 nan 0.000 0.448 889 L N -0.199 121.062 121.223 0.063 0.000 2.131 889 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 889 L C 2.051 178.947 176.870 0.043 0.000 1.092 889 L CA 1.050 55.912 54.840 0.038 0.000 0.759 889 L CB -0.614 41.386 42.059 -0.098 0.000 0.903 889 L HN 0.373 nan 8.230 nan 0.000 0.435 890 N N -0.194 118.500 118.700 -0.009 0.000 2.309 890 N HA -0.151 4.589 4.740 -0.000 0.000 0.182 890 N C 1.626 177.109 175.510 -0.045 0.000 1.018 890 N CA 0.867 53.903 53.050 -0.024 0.000 0.876 890 N CB -0.119 38.347 38.487 -0.034 0.000 0.972 890 N HN 0.356 nan 8.380 nan 0.000 0.434 891 E N -0.227 119.918 120.200 -0.090 0.000 2.268 891 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 891 E C 0.526 176.891 176.600 -0.392 0.000 0.995 891 E CA 0.745 56.987 56.400 -0.263 0.000 0.836 891 E CB -0.124 29.331 29.700 -0.408 0.000 0.763 891 E HN 0.540 nan 8.360 nan 0.000 0.491 892 Y N -0.507 119.780 120.300 -0.022 0.000 2.584 892 Y HA 0.316 4.866 4.550 -0.000 0.000 0.254 892 Y C 0.567 176.465 175.900 -0.004 0.000 1.177 892 Y CA -0.097 57.992 58.100 -0.019 0.000 1.216 892 Y CB 0.678 39.117 38.460 -0.035 0.000 1.172 892 Y HN -0.165 nan 8.280 nan 0.000 0.529 893 L N 0.901 122.179 121.223 0.092 0.000 2.333 893 L HA 0.634 4.974 4.340 -0.000 0.000 0.263 893 L C -0.335 176.556 176.870 0.035 0.000 1.014 893 L CA -1.186 53.696 54.840 0.070 0.000 0.820 893 L CB 2.395 44.485 42.059 0.051 0.000 1.352 893 L HN -0.023 nan 8.230 nan 0.000 0.421 894 R N 1.226 121.752 120.500 0.042 0.000 2.854 894 R HA 0.782 5.122 4.340 -0.000 0.000 0.271 894 R C -1.416 174.901 176.300 0.028 0.000 0.996 894 R CA -0.808 55.308 56.100 0.027 0.000 0.961 894 R CB 1.867 32.186 30.300 0.032 0.000 1.182 894 R HN 0.470 nan 8.270 nan 0.000 0.479 895 I N 1.593 122.174 120.570 0.018 0.000 2.389 895 I HA 0.305 4.475 4.170 -0.000 0.000 0.288 895 I C -0.354 175.774 176.117 0.018 0.000 0.999 895 I CA -0.755 60.556 61.300 0.018 0.000 1.129 895 I CB 1.911 39.917 38.000 0.010 0.000 1.288 895 I HN 0.570 nan 8.210 nan 0.000 0.444 896 K N 5.294 125.708 120.400 0.023 0.000 2.213 896 K HA 0.454 4.774 4.320 -0.000 0.000 0.270 896 K C -0.770 175.842 176.600 0.018 0.000 1.002 896 K CA -0.322 55.976 56.287 0.018 0.000 0.868 896 K CB 1.197 33.709 32.500 0.020 0.000 1.093 896 K HN 0.507 nan 8.250 nan 0.000 0.454 897 T N 3.188 117.749 114.554 0.011 0.000 2.767 897 T HA 0.285 4.635 4.350 -0.000 0.000 0.288 897 T C -0.717 173.984 174.700 0.002 0.000 0.963 897 T CA -0.559 61.551 62.100 0.017 0.000 1.019 897 T CB 1.137 70.014 68.868 0.014 0.000 0.923 897 T HN 0.305 nan 8.240 nan 0.000 0.468 898 V N 3.952 123.876 119.914 0.017 0.000 2.444 898 V HA 0.490 4.610 4.120 -0.000 0.000 0.294 898 V C 0.076 176.171 176.094 0.001 0.000 1.022 898 V CA -0.721 61.551 62.300 -0.048 0.000 0.850 898 V CB 1.854 33.642 31.823 -0.058 0.000 0.992 898 V HN 0.941 nan 8.190 nan 0.000 0.426 899 T N 5.770 120.279 114.554 -0.076 0.000 2.809 899 T HA 0.661 5.011 4.350 -0.000 0.000 0.284 899 T C -0.752 173.951 174.700 0.004 0.000 0.992 899 T CA -0.144 61.991 62.100 0.058 0.000 0.957 899 T CB 0.550 69.448 68.868 0.050 0.000 0.942 899 T HN 0.272 nan 8.240 nan 0.000 0.439 900 F N 1.781 121.780 119.950 0.080 0.000 2.425 900 F HA 0.542 5.069 4.527 -0.001 0.000 0.331 900 F C 0.779 176.672 175.800 0.155 0.000 1.085 900 F CA -1.218 56.852 58.000 0.115 0.000 1.028 900 F CB 1.217 40.301 39.000 0.142 0.000 1.177 900 F HN 0.423 nan 8.300 nan 0.000 0.487 901 E N 2.565 122.957 120.200 0.320 0.000 2.199 901 E HA 0.475 4.824 4.350 -0.000 0.000 0.269 901 E C -1.664 175.113 176.600 0.295 0.000 0.899 901 E CA -0.544 55.983 56.400 0.211 0.000 0.772 901 E CB 1.688 31.441 29.700 0.088 0.000 1.155 901 E HN 0.624 nan 8.360 nan 0.000 0.408 902 Y N 0.000 120.344 120.300 0.074 0.000 2.660 902 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 902 Y CA 0.000 58.130 58.100 0.051 0.000 1.940 902 Y CB 0.000 38.484 38.460 0.039 0.000 1.050 902 Y HN 0.000 nan 8.280 nan 0.000 0.758