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 2o2r_1_D 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 0.000 176.060 176.094 -0.057 0.000 1.182 405 V CA 0.000 62.309 62.300 0.014 0.000 1.235 405 V CB 0.000 31.845 31.823 0.037 0.000 1.184 406 I N 1.606 122.073 120.570 -0.173 0.000 2.437 406 I HA 0.439 4.609 4.170 -0.000 0.000 0.298 406 I C 0.352 176.072 176.117 -0.663 0.000 0.984 406 I CA -0.283 60.758 61.300 -0.432 0.000 1.214 406 I CB 1.500 39.120 38.000 -0.633 0.000 1.365 406 I HN 0.759 nan 8.210 nan 0.000 0.469 407 N N 4.726 123.109 118.700 -0.528 0.000 2.497 407 N HA 0.301 5.041 4.740 -0.000 0.000 0.271 407 N C -1.490 173.746 175.510 -0.457 0.000 1.142 407 N CA -0.164 52.680 53.050 -0.343 0.000 0.965 407 N CB 0.540 38.971 38.487 -0.092 0.000 1.077 407 N HN 0.334 nan 8.380 nan 0.000 0.462 408 Y N 0.130 120.475 120.300 0.075 0.000 2.549 408 Y HA 0.441 4.991 4.550 -0.000 0.000 0.339 408 Y C 0.047 176.019 175.900 0.121 0.000 1.053 408 Y CA -1.139 57.007 58.100 0.078 0.000 1.105 408 Y CB 1.035 39.493 38.460 -0.004 0.000 1.258 408 Y HN 0.119 nan 8.280 nan 0.000 0.478 409 V N 2.016 122.089 119.914 0.265 0.000 2.406 409 V HA 0.197 4.317 4.120 -0.000 0.000 0.272 409 V C -0.189 175.955 176.094 0.084 0.000 1.043 409 V CA -0.698 61.654 62.300 0.086 0.000 0.915 409 V CB 1.047 32.872 31.823 0.004 0.000 0.988 409 V HN 0.727 nan 8.190 nan 0.000 0.466 410 E N 4.850 125.076 120.200 0.044 0.000 2.175 410 E HA 0.548 4.898 4.350 -0.000 0.000 0.278 410 E C -0.624 175.969 176.600 -0.010 0.000 0.969 410 E CA -0.735 55.670 56.400 0.008 0.000 0.796 410 E CB 1.173 30.876 29.700 0.004 0.000 1.104 410 E HN 0.619 nan 8.360 nan 0.000 0.395 411 K N 2.836 123.224 120.400 -0.020 0.000 2.615 411 K HA 0.449 4.769 4.320 -0.000 0.000 0.249 411 K C -1.725 174.857 176.600 -0.030 0.000 0.977 411 K CA -0.581 55.692 56.287 -0.023 0.000 0.833 411 K CB 1.560 34.049 32.500 -0.018 0.000 1.208 411 K HN 0.476 nan 8.250 nan 0.000 0.443 412 A N 3.507 126.307 122.820 -0.032 0.000 2.350 412 A HA 0.557 4.876 4.320 -0.000 0.000 0.293 412 A C -0.895 176.664 177.584 -0.041 0.000 1.231 412 A CA -0.363 51.651 52.037 -0.037 0.000 0.883 412 A CB 0.619 19.599 19.000 -0.035 0.000 1.133 412 A HN 0.502 nan 8.150 nan 0.000 0.533 413 V N 3.172 123.057 119.914 -0.048 0.000 3.098 413 V HA 0.506 4.625 4.120 -0.000 0.000 0.294 413 V C 0.069 176.113 176.094 -0.083 0.000 1.351 413 V CA -0.022 62.243 62.300 -0.059 0.000 0.999 413 V CB 1.992 33.785 31.823 -0.049 0.000 1.104 413 V HN 1.224 nan 8.190 nan 0.000 0.438 414 N N 2.853 121.487 118.700 -0.110 0.000 2.741 414 N HA -0.198 4.541 4.740 -0.000 0.000 0.250 414 N C 0.336 175.759 175.510 -0.145 0.000 1.115 414 N CA 1.610 54.557 53.050 -0.172 0.000 0.724 414 N CB -1.162 37.171 38.487 -0.257 0.000 1.090 414 N HN 0.915 nan 8.380 nan 0.000 0.558 415 K N -2.285 118.056 120.400 -0.097 0.000 3.230 415 K HA -0.169 4.150 4.320 -0.000 0.000 0.285 415 K C -0.686 175.876 176.600 -0.063 0.000 1.196 415 K CA 1.458 57.701 56.287 -0.074 0.000 0.838 415 K CB -1.143 31.313 32.500 -0.073 0.000 1.262 415 K HN 0.515 nan 8.250 nan 0.000 0.492 416 L N -0.824 120.361 121.223 -0.063 0.000 2.327 416 L HA 0.484 4.824 4.340 -0.000 0.000 0.258 416 L C -0.035 176.806 176.870 -0.048 0.000 1.024 416 L CA -1.054 53.755 54.840 -0.051 0.000 0.825 416 L CB 2.404 44.437 42.059 -0.044 0.000 1.386 416 L HN -0.137 nan 8.230 nan 0.000 0.417 417 T N 2.415 116.940 114.554 -0.049 0.000 2.801 417 T HA 0.455 4.805 4.350 -0.000 0.000 0.306 417 T C -0.361 174.303 174.700 -0.061 0.000 1.020 417 T CA -0.484 61.584 62.100 -0.053 0.000 0.948 417 T CB 0.675 69.509 68.868 -0.058 0.000 0.962 417 T HN 0.046 nan 8.240 nan 0.000 0.465 418 L N 3.720 124.914 121.223 -0.049 0.000 2.397 418 L HA 0.324 4.664 4.340 -0.000 0.000 0.271 418 L C 0.562 177.385 176.870 -0.079 0.000 1.148 418 L CA 0.325 55.139 54.840 -0.044 0.000 0.825 418 L CB 0.532 42.582 42.059 -0.015 0.000 1.117 418 L HN 0.525 nan 8.230 nan 0.000 0.456 419 Q N 4.975 124.698 119.800 -0.128 0.000 2.394 419 Q HA 0.423 4.763 4.340 -0.000 0.000 0.261 419 Q C -1.156 174.820 176.000 -0.039 0.000 1.023 419 Q CA -0.070 55.577 55.803 -0.260 0.000 0.720 419 Q CB 1.814 30.097 28.738 -0.759 0.000 1.241 419 Q HN 0.591 nan 8.270 nan 0.000 0.483 420 M N 3.893 123.580 119.600 0.144 0.000 2.072 420 M HA 0.372 4.852 4.480 -0.000 0.000 0.331 420 M C -2.375 174.046 176.300 0.203 0.000 1.004 420 M CA -1.779 53.617 55.300 0.159 0.000 0.952 420 M CB 1.542 34.202 32.600 0.100 0.000 1.511 420 M HN 0.031 nan 8.290 nan 0.000 0.422 421 P HA -0.015 nan 4.420 nan 0.000 0.269 421 P C -0.770 176.483 177.300 -0.078 0.000 1.215 421 P CA 0.272 63.168 63.100 -0.340 0.000 0.780 421 P CB 0.194 31.334 31.700 -0.934 0.000 0.898 422 Y N -1.917 118.297 120.300 -0.144 0.000 2.666 422 Y HA 0.431 4.981 4.550 -0.000 0.000 0.260 422 Y C 0.274 176.190 175.900 0.027 0.000 1.089 422 Y CA -0.421 57.652 58.100 -0.044 0.000 1.246 422 Y CB -0.173 38.246 38.460 -0.067 0.000 1.353 422 Y HN 0.184 nan 8.280 nan 0.000 0.558 423 Q N 1.312 120.975 119.800 -0.229 0.000 2.194 423 Q HA 0.552 4.891 4.340 -0.000 0.000 0.245 423 Q C -0.504 175.627 176.000 0.219 0.000 0.993 423 Q CA -1.180 54.608 55.803 -0.026 0.000 0.930 423 Q CB 1.961 30.616 28.738 -0.138 0.000 1.238 423 Q HN 0.231 nan 8.270 nan 0.000 0.486 424 L N 1.048 122.369 121.223 0.163 0.000 2.483 424 L HA 0.137 4.477 4.340 -0.000 0.000 0.276 424 L C -0.378 176.569 176.870 0.129 0.000 1.213 424 L CA 0.150 55.078 54.840 0.147 0.000 0.843 424 L CB -0.049 42.057 42.059 0.078 0.000 1.107 424 L HN 0.471 nan 8.230 nan 0.000 0.487 425 F N 4.501 124.367 119.950 -0.141 0.000 2.347 425 F HA 0.579 5.106 4.527 -0.000 0.000 0.366 425 F C -0.391 175.259 175.800 -0.250 0.000 1.107 425 F CA -0.530 57.220 58.000 -0.417 0.000 1.058 425 F CB 0.542 39.202 39.000 -0.567 0.000 1.236 425 F HN 0.150 nan 8.300 nan 0.000 0.456 426 I N 5.029 125.240 120.570 -0.599 0.000 2.499 426 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 426 I C 0.658 176.458 176.117 -0.530 0.000 1.048 426 I CA -0.993 60.051 61.300 -0.427 0.000 1.062 426 I CB 1.946 39.819 38.000 -0.212 0.000 1.238 426 I HN 0.762 nan 8.210 nan 0.000 0.426 427 G N 4.094 112.621 108.800 -0.455 0.000 2.283 427 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.280 427 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.280 427 G C 0.950 175.583 174.900 -0.446 0.000 1.029 427 G CA 0.707 45.595 45.100 -0.352 0.000 0.840 427 G HN 1.657 nan 8.290 nan 0.000 0.505 428 G N -1.361 106.961 108.800 -0.796 0.000 2.143 428 G HA2 0.022 3.982 3.960 -0.000 0.000 0.249 428 G HA3 0.022 3.982 3.960 -0.000 0.000 0.249 428 G C 0.027 174.567 174.900 -0.600 0.000 0.981 428 G CA 1.194 45.876 45.100 -0.697 0.000 0.665 428 G HN 2.069 nan 8.290 nan 0.000 0.528 429 E N -0.786 118.958 120.200 -0.761 0.000 2.356 429 E HA 0.678 5.028 4.350 -0.000 0.000 0.275 429 E C -0.964 175.411 176.600 -0.375 0.000 0.904 429 E CA -1.452 54.732 56.400 -0.361 0.000 0.757 429 E CB 1.184 30.785 29.700 -0.166 0.000 1.232 429 E HN 0.040 nan 8.360 nan 0.000 0.442 430 F N 1.565 121.519 119.950 0.007 0.000 2.438 430 F HA 0.342 4.869 4.527 -0.000 0.000 0.356 430 F C 0.344 176.091 175.800 -0.088 0.000 1.099 430 F CA -0.276 57.720 58.000 -0.006 0.000 1.185 430 F CB 1.436 40.398 39.000 -0.063 0.000 1.115 430 F HN 0.375 nan 8.300 nan 0.000 0.526 431 V N -0.258 119.697 119.914 0.069 0.000 3.007 431 V HA 0.565 4.685 4.120 -0.000 0.000 0.311 431 V C -0.735 175.373 176.094 0.024 0.000 1.120 431 V CA -1.187 61.121 62.300 0.014 0.000 0.980 431 V CB 1.881 33.689 31.823 -0.025 0.000 1.033 431 V HN 0.439 nan 8.190 nan 0.000 0.429 432 D N 1.874 122.287 120.400 0.022 0.000 2.357 432 D HA 0.580 5.220 4.640 -0.000 0.000 0.242 432 D C 0.616 176.946 176.300 0.049 0.000 1.153 432 D CA 0.621 54.648 54.000 0.046 0.000 0.918 432 D CB 1.710 42.542 40.800 0.053 0.000 1.181 432 D HN 1.133 nan 8.370 nan 0.000 0.435 433 A N 0.971 123.832 122.820 0.069 0.000 2.386 433 A HA 0.060 4.380 4.320 -0.000 0.000 0.246 433 A C 0.591 178.207 177.584 0.053 0.000 1.089 433 A CA -0.306 51.771 52.037 0.066 0.000 0.790 433 A CB 0.017 19.071 19.000 0.090 0.000 1.042 433 A HN 0.621 nan 8.150 nan 0.000 0.497 434 E N 0.005 120.232 120.200 0.045 0.000 2.608 434 E HA 0.230 4.580 4.350 -0.000 0.000 0.259 434 E C 1.184 177.809 176.600 0.042 0.000 0.951 434 E CA 1.018 57.440 56.400 0.037 0.000 0.945 434 E CB -0.132 29.588 29.700 0.034 0.000 0.916 434 E HN 1.581 nan 8.360 nan 0.000 0.477 435 G N 3.473 112.295 108.800 0.036 0.000 2.168 435 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.257 435 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.257 435 G C 0.530 175.456 174.900 0.044 0.000 0.997 435 G CA 0.511 45.633 45.100 0.037 0.000 0.708 435 G HN 0.869 nan 8.290 nan 0.000 0.520 436 S N -1.173 114.557 115.700 0.050 0.000 3.419 436 S HA -0.225 4.245 4.470 -0.000 0.000 0.350 436 S C 0.973 175.616 174.600 0.072 0.000 1.128 436 S CA 1.952 60.189 58.200 0.062 0.000 0.999 436 S CB -0.656 62.578 63.200 0.056 0.000 0.923 436 S HN 1.033 nan 8.310 nan 0.000 0.522 437 K N 1.698 122.143 120.400 0.076 0.000 2.436 437 K HA 0.326 4.646 4.320 -0.000 0.000 0.275 437 K C 0.850 177.523 176.600 0.121 0.000 0.999 437 K CA 0.705 57.045 56.287 0.089 0.000 0.980 437 K CB 0.401 32.952 32.500 0.085 0.000 0.919 437 K HN 0.528 nan 8.250 nan 0.000 0.484 438 T N -0.981 113.650 114.554 0.129 0.000 2.812 438 T HA 0.597 4.947 4.350 -0.000 0.000 0.294 438 T C -1.188 173.638 174.700 0.209 0.000 1.159 438 T CA -0.979 61.205 62.100 0.139 0.000 1.008 438 T CB 0.990 69.893 68.868 0.058 0.000 1.289 438 T HN 0.666 nan 8.240 nan 0.000 0.514 439 Y N -1.247 119.081 120.300 0.046 0.000 2.670 439 Y HA 0.753 5.303 4.550 -0.000 0.000 0.334 439 Y C -1.425 174.492 175.900 0.028 0.000 1.185 439 Y CA -1.401 56.718 58.100 0.031 0.000 1.053 439 Y CB 0.855 39.332 38.460 0.029 0.000 1.298 439 Y HN 0.598 nan 8.280 nan 0.000 0.459 440 N N 1.003 119.758 118.700 0.091 0.000 2.456 440 N HA 0.313 5.053 4.740 -0.000 0.000 0.288 440 N C -1.009 174.523 175.510 0.037 0.000 1.059 440 N CA -0.402 52.636 53.050 -0.018 0.000 0.946 440 N CB 1.906 40.414 38.487 0.035 0.000 1.150 440 N HN 0.782 nan 8.380 nan 0.000 0.479 441 T N 1.944 116.461 114.554 -0.063 0.000 2.829 441 T HA 0.514 4.863 4.350 -0.000 0.000 0.282 441 T C -0.384 174.341 174.700 0.042 0.000 0.990 441 T CA -0.678 61.438 62.100 0.027 0.000 1.028 441 T CB 0.254 69.115 68.868 -0.012 0.000 0.951 441 T HN 0.177 nan 8.240 nan 0.000 0.460 442 I N 5.006 125.625 120.570 0.080 0.000 2.404 442 I HA 0.351 4.521 4.170 -0.000 0.000 0.293 442 I C 0.390 176.570 176.117 0.106 0.000 0.992 442 I CA -1.148 60.215 61.300 0.106 0.000 1.149 442 I CB 1.311 39.412 38.000 0.169 0.000 1.315 442 I HN 0.646 nan 8.210 nan 0.000 0.446 443 N N 9.136 127.878 118.700 0.071 0.000 2.420 443 N HA 0.183 4.923 4.740 -0.000 0.000 0.262 443 N C -1.770 173.756 175.510 0.027 0.000 1.144 443 N CA -1.630 51.442 53.050 0.036 0.000 0.952 443 N CB 1.396 39.884 38.487 0.002 0.000 1.081 443 N HN 0.314 nan 8.380 nan 0.000 0.480 444 P HA 0.022 nan 4.420 nan 0.000 0.241 444 P C 0.706 177.843 177.300 -0.272 0.000 1.191 444 P CA 0.610 63.721 63.100 0.019 0.000 0.771 444 P CB 0.343 32.116 31.700 0.122 0.000 0.929 445 T N 0.650 115.105 114.554 -0.166 0.000 2.951 445 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 445 T C 0.965 175.658 174.700 -0.013 0.000 1.073 445 T CA 1.907 63.974 62.100 -0.054 0.000 1.134 445 T CB -0.338 68.555 68.868 0.042 0.000 0.884 445 T HN 0.363 nan 8.240 nan 0.000 0.479 446 D N -1.578 118.742 120.400 -0.134 0.000 2.516 446 D HA 0.253 4.893 4.640 -0.000 0.000 0.241 446 D C 1.271 177.441 176.300 -0.217 0.000 1.246 446 D CA 0.533 54.449 54.000 -0.140 0.000 0.808 446 D CB -0.455 40.307 40.800 -0.063 0.000 1.147 446 D HN 0.278 nan 8.370 nan 0.000 0.527 447 G N 0.644 109.264 108.800 -0.300 0.000 2.179 447 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 447 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 447 G C 0.435 175.341 174.900 0.012 0.000 0.977 447 G CA 0.550 45.549 45.100 -0.167 0.000 0.641 447 G HN 0.974 nan 8.290 nan 0.000 0.533 448 S N -0.835 114.857 115.700 -0.014 0.000 2.617 448 S HA 0.666 5.135 4.470 -0.000 0.000 0.269 448 S C 0.448 175.062 174.600 0.023 0.000 1.292 448 S CA -0.275 57.929 58.200 0.006 0.000 1.010 448 S CB 2.299 65.492 63.200 -0.012 0.000 0.944 448 S HN 0.997 nan 8.310 nan 0.000 0.536 449 V N 3.200 123.123 119.914 0.016 0.000 2.521 449 V HA 0.103 4.223 4.120 -0.000 0.000 0.286 449 V C 1.267 177.354 176.094 -0.010 0.000 1.034 449 V CA -0.063 62.242 62.300 0.008 0.000 1.045 449 V CB -0.078 31.744 31.823 -0.002 0.000 0.974 449 V HN 0.903 nan 8.190 nan 0.000 0.480 450 I N 4.114 124.677 120.570 -0.011 0.000 2.235 450 I HA 0.000 4.170 4.170 -0.000 0.000 0.241 450 I C 1.017 177.104 176.117 -0.049 0.000 1.085 450 I CA 1.381 62.667 61.300 -0.022 0.000 1.378 450 I CB 0.067 38.062 38.000 -0.009 0.000 1.076 450 I HN 0.880 nan 8.210 nan 0.000 0.415 451 C N -2.120 117.136 119.300 -0.072 0.000 3.211 451 C HA 0.518 4.978 4.460 -0.000 0.000 0.350 451 C C -1.306 173.590 174.990 -0.157 0.000 1.413 451 C CA -1.279 57.665 59.018 -0.123 0.000 1.203 451 C CB 0.904 28.559 27.740 -0.141 0.000 1.506 451 C HN 0.180 nan 8.230 nan 0.000 0.448 452 Q N 0.492 120.169 119.800 -0.206 0.000 2.235 452 Q HA 0.775 5.114 4.340 -0.000 0.000 0.250 452 Q C -0.533 175.348 176.000 -0.197 0.000 0.909 452 Q CA -0.242 55.437 55.803 -0.207 0.000 0.910 452 Q CB 1.672 30.313 28.738 -0.161 0.000 1.223 452 Q HN 0.671 nan 8.270 nan 0.000 0.432 453 V N 1.513 121.251 119.914 -0.293 0.000 2.656 453 V HA 0.387 4.506 4.120 -0.000 0.000 0.307 453 V C -0.432 175.622 176.094 -0.067 0.000 1.051 453 V CA -0.986 61.202 62.300 -0.187 0.000 0.893 453 V CB 2.268 33.825 31.823 -0.442 0.000 0.999 453 V HN 0.840 nan 8.190 nan 0.000 0.426 454 S N 3.812 119.592 115.700 0.133 0.000 2.558 454 S HA 0.173 4.643 4.470 -0.000 0.000 0.291 454 S C -0.258 174.497 174.600 0.259 0.000 1.306 454 S CA 0.010 58.312 58.200 0.171 0.000 1.056 454 S CB 0.199 63.487 63.200 0.148 0.000 0.836 454 S HN 0.545 nan 8.310 nan 0.000 0.504 455 L N 3.697 125.076 121.223 0.259 0.000 2.313 455 L HA 0.557 4.897 4.340 -0.000 0.000 0.273 455 L C 0.256 177.218 176.870 0.153 0.000 1.028 455 L CA -0.292 54.714 54.840 0.278 0.000 0.871 455 L CB 0.033 42.246 42.059 0.256 0.000 1.242 455 L HN 0.741 nan 8.230 nan 0.000 0.434 456 A N 4.239 127.140 122.820 0.136 0.000 2.540 456 A HA 0.420 4.740 4.320 -0.000 0.000 0.239 456 A C 0.114 177.738 177.584 0.066 0.000 1.061 456 A CA -0.023 52.069 52.037 0.092 0.000 0.758 456 A CB 0.083 19.135 19.000 0.086 0.000 0.991 456 A HN 0.722 nan 8.150 nan 0.000 0.502 457 Q N 1.073 120.907 119.800 0.057 0.000 2.385 457 Q HA 0.370 4.710 4.340 -0.000 0.000 0.262 457 Q C 1.493 177.519 176.000 0.044 0.000 1.050 457 Q CA -0.792 55.038 55.803 0.045 0.000 0.903 457 Q CB 0.957 29.720 28.738 0.042 0.000 1.325 457 Q HN 0.422 nan 8.270 nan 0.000 0.485 458 V N 0.891 120.829 119.914 0.040 0.000 2.332 458 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 458 V C 2.276 178.400 176.094 0.049 0.000 1.055 458 V CA 2.562 64.888 62.300 0.045 0.000 1.038 458 V CB -0.893 30.951 31.823 0.035 0.000 0.651 458 V HN 0.889 nan 8.190 nan 0.000 0.450 459 S N -0.175 115.549 115.700 0.039 0.000 2.382 459 S HA -0.240 4.230 4.470 -0.000 0.000 0.228 459 S C 1.646 176.267 174.600 0.036 0.000 1.027 459 S CA 1.556 59.778 58.200 0.037 0.000 0.991 459 S CB -0.531 62.685 63.200 0.028 0.000 0.823 459 S HN 0.634 nan 8.310 nan 0.000 0.469 460 D N 1.663 122.084 120.400 0.035 0.000 2.117 460 D HA -0.047 4.593 4.640 -0.000 0.000 0.197 460 D C 2.209 178.525 176.300 0.027 0.000 0.987 460 D CA 1.243 55.260 54.000 0.028 0.000 0.829 460 D CB -0.516 40.305 40.800 0.036 0.000 0.961 460 D HN 0.377 nan 8.370 nan 0.000 0.460 461 V N 1.945 121.885 119.914 0.043 0.000 2.287 461 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 461 V C 1.934 178.054 176.094 0.045 0.000 1.053 461 V CA 1.821 64.148 62.300 0.045 0.000 1.027 461 V CB -0.495 31.372 31.823 0.073 0.000 0.646 461 V HN 0.027 nan 8.190 nan 0.000 0.447 462 D N 0.001 120.460 120.400 0.098 0.000 2.149 462 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 462 D C 2.245 178.583 176.300 0.064 0.000 0.990 462 D CA 1.212 55.302 54.000 0.150 0.000 0.839 462 D CB -0.204 40.682 40.800 0.144 0.000 0.948 462 D HN 0.459 nan 8.370 nan 0.000 0.460 463 K N 0.435 120.849 120.400 0.025 0.000 2.103 463 K HA 0.047 4.367 4.320 -0.000 0.000 0.204 463 K C 2.139 178.713 176.600 -0.042 0.000 1.052 463 K CA 0.951 57.233 56.287 -0.008 0.000 0.945 463 K CB -0.008 32.482 32.500 -0.017 0.000 0.722 463 K HN 0.015 nan 8.250 nan 0.000 0.443 464 A N 1.106 123.897 122.820 -0.047 0.000 1.877 464 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 464 A C 2.378 179.907 177.584 -0.092 0.000 1.186 464 A CA 1.446 53.440 52.037 -0.071 0.000 0.620 464 A CB -0.731 18.241 19.000 -0.048 0.000 0.822 464 A HN 0.058 nan 8.150 nan 0.000 0.443 465 V N -0.069 119.767 119.914 -0.131 0.000 2.343 465 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 465 V C 3.070 179.085 176.094 -0.132 0.000 1.051 465 V CA 1.938 64.105 62.300 -0.222 0.000 1.036 465 V CB -1.313 30.154 31.823 -0.594 0.000 0.654 465 V HN 0.626 nan 8.190 nan 0.000 0.451 466 A N 0.140 122.919 122.820 -0.069 0.000 1.883 466 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 466 A C 2.445 180.015 177.584 -0.023 0.000 1.186 466 A CA 2.374 54.402 52.037 -0.016 0.000 0.624 466 A CB -0.907 18.098 19.000 0.009 0.000 0.822 466 A HN 0.593 nan 8.150 nan 0.000 0.444 467 A N -0.313 122.479 122.820 -0.048 0.000 1.902 467 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 467 A C 2.507 180.065 177.584 -0.042 0.000 1.181 467 A CA 2.205 54.206 52.037 -0.060 0.000 0.623 467 A CB -1.003 17.933 19.000 -0.108 0.000 0.818 467 A HN 1.101 nan 8.150 nan 0.000 0.443 468 A N -0.244 122.548 122.820 -0.047 0.000 1.898 468 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 468 A C 2.141 179.755 177.584 0.049 0.000 1.181 468 A CA 1.976 54.000 52.037 -0.022 0.000 0.620 468 A CB -0.441 18.529 19.000 -0.050 0.000 0.819 468 A HN 0.571 nan 8.150 nan 0.000 0.442 469 K N -0.284 120.137 120.400 0.036 0.000 2.026 469 K HA -0.228 4.091 4.320 -0.000 0.000 0.208 469 K C 2.054 178.741 176.600 0.144 0.000 1.048 469 K CA 1.806 58.152 56.287 0.098 0.000 0.929 469 K CB -0.167 32.366 32.500 0.055 0.000 0.713 469 K HN 0.398 nan 8.250 nan 0.000 0.439 470 E N 0.713 120.962 120.200 0.082 0.000 2.058 470 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 470 E C 1.672 178.323 176.600 0.084 0.000 0.997 470 E CA 1.802 58.243 56.400 0.068 0.000 0.801 470 E CB -0.379 29.339 29.700 0.030 0.000 0.746 470 E HN 0.394 nan 8.360 nan 0.000 0.450 471 A N -0.195 122.675 122.820 0.083 0.000 1.908 471 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 471 A C 2.231 179.937 177.584 0.203 0.000 1.181 471 A CA 1.606 53.705 52.037 0.103 0.000 0.627 471 A CB -0.994 18.034 19.000 0.046 0.000 0.818 471 A HN 0.489 nan 8.150 nan 0.000 0.445 472 F N 0.575 120.583 119.950 0.096 0.000 2.098 472 F HA -0.069 4.458 4.527 -0.000 0.000 0.294 472 F C 2.234 178.098 175.800 0.107 0.000 1.107 472 F CA 2.116 60.202 58.000 0.143 0.000 1.234 472 F CB -0.234 38.836 39.000 0.117 0.000 1.002 472 F HN 0.333 nan 8.300 nan 0.000 0.472 473 E N -0.599 119.657 120.200 0.093 0.000 2.112 473 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 473 E C 1.196 177.765 176.600 -0.053 0.000 0.979 473 E CA 1.057 57.443 56.400 -0.023 0.000 0.814 473 E CB 0.007 29.773 29.700 0.111 0.000 0.762 473 E HN 0.405 nan 8.360 nan 0.000 0.460 474 N N -0.552 118.146 118.700 -0.002 0.000 2.211 474 N HA 0.060 4.800 4.740 -0.000 0.000 0.216 474 N C 0.508 176.023 175.510 0.008 0.000 1.240 474 N CA 0.288 53.337 53.050 -0.002 0.000 0.895 474 N CB 0.919 39.414 38.487 0.013 0.000 1.102 474 N HN -0.014 nan 8.380 nan 0.000 0.498 475 G N 0.871 109.691 108.800 0.034 0.000 2.616 475 G HA2 0.267 4.227 3.960 -0.000 0.000 0.268 475 G HA3 0.267 4.227 3.960 -0.000 0.000 0.268 475 G C 1.072 176.015 174.900 0.072 0.000 1.213 475 G CA -0.443 44.692 45.100 0.058 0.000 0.926 475 G HN 0.059 nan 8.290 nan 0.000 0.523 476 L N -0.205 121.075 121.223 0.095 0.000 2.079 476 L HA -0.075 4.264 4.340 -0.000 0.000 0.210 476 L C 2.309 179.272 176.870 0.155 0.000 1.081 476 L CA 1.670 56.571 54.840 0.103 0.000 0.752 476 L CB -0.540 41.585 42.059 0.111 0.000 0.896 476 L HN 0.780 nan 8.230 nan 0.000 0.433 477 W N 0.157 121.459 121.300 0.004 0.000 2.325 477 W HA -0.206 4.454 4.660 -0.000 0.000 0.299 477 W C 1.826 178.337 176.519 -0.013 0.000 1.215 477 W CA 1.367 58.725 57.345 0.023 0.000 1.244 477 W CB -0.305 29.193 29.460 0.063 0.000 1.140 477 W HN 0.392 nan 8.180 nan 0.000 0.523 478 G N -0.023 108.807 108.800 0.051 0.000 2.744 478 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.211 478 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.211 478 G C 1.391 176.191 174.900 -0.166 0.000 1.143 478 G CA 0.395 45.388 45.100 -0.178 0.000 0.788 478 G HN 0.251 nan 8.290 nan 0.000 0.534 479 K N -0.408 119.932 120.400 -0.100 0.000 2.399 479 K HA 0.263 4.583 4.320 -0.000 0.000 0.196 479 K C 1.053 177.604 176.600 -0.082 0.000 1.117 479 K CA -0.296 55.942 56.287 -0.082 0.000 0.965 479 K CB 0.488 32.961 32.500 -0.045 0.000 0.983 479 K HN 0.457 nan 8.250 nan 0.000 0.531 480 I N 0.671 121.183 120.570 -0.098 0.000 2.882 480 I HA 0.090 4.260 4.170 -0.000 0.000 0.286 480 I C -0.237 175.807 176.117 -0.123 0.000 1.139 480 I CA -0.775 60.468 61.300 -0.096 0.000 1.379 480 I CB 0.311 38.257 38.000 -0.090 0.000 1.410 480 I HN -0.061 nan 8.210 nan 0.000 0.594 481 N N 3.101 121.748 118.700 -0.088 0.000 2.395 481 N HA 0.006 4.746 4.740 -0.000 0.000 0.246 481 N C 1.028 176.472 175.510 -0.111 0.000 1.246 481 N CA 0.582 53.584 53.050 -0.081 0.000 0.879 481 N CB 0.975 39.431 38.487 -0.051 0.000 1.098 481 N HN 0.866 nan 8.380 nan 0.000 0.444 482 A N 2.894 125.660 122.820 -0.091 0.000 1.917 482 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 482 A C 2.191 179.741 177.584 -0.057 0.000 1.182 482 A CA 1.771 53.758 52.037 -0.083 0.000 0.633 482 A CB -0.425 18.557 19.000 -0.030 0.000 0.819 482 A HN 0.781 nan 8.150 nan 0.000 0.448 483 R N -0.446 120.030 120.500 -0.039 0.000 2.105 483 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 483 R C 1.283 177.569 176.300 -0.023 0.000 1.135 483 R CA 1.903 57.988 56.100 -0.025 0.000 0.967 483 R CB -0.271 30.013 30.300 -0.026 0.000 0.861 483 R HN 0.493 nan 8.270 nan 0.000 0.442 484 D N -0.325 120.052 120.400 -0.039 0.000 2.183 484 D HA -0.132 4.508 4.640 -0.000 0.000 0.203 484 D C 1.797 178.078 176.300 -0.031 0.000 0.969 484 D CA 0.661 54.646 54.000 -0.024 0.000 0.842 484 D CB -0.229 40.554 40.800 -0.029 0.000 0.957 484 D HN 0.254 nan 8.370 nan 0.000 0.484 485 R N 0.800 121.220 120.500 -0.133 0.000 2.083 485 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 485 R C 2.268 178.581 176.300 0.022 0.000 1.137 485 R CA 1.743 57.700 56.100 -0.237 0.000 0.951 485 R CB -0.545 29.455 30.300 -0.499 0.000 0.851 485 R HN 0.177 nan 8.270 nan 0.000 0.434 486 G N 0.557 109.384 108.800 0.044 0.000 2.440 486 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 486 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 486 G C 1.471 176.473 174.900 0.170 0.000 1.154 486 G CA 0.612 45.790 45.100 0.129 0.000 0.767 486 G HN 0.323 nan 8.290 nan 0.000 0.552 487 R N -0.346 120.221 120.500 0.111 0.000 2.105 487 R HA 0.046 4.386 4.340 -0.000 0.000 0.239 487 R C 2.650 179.061 176.300 0.184 0.000 1.135 487 R CA 0.916 57.090 56.100 0.124 0.000 0.967 487 R CB -0.424 29.914 30.300 0.063 0.000 0.861 487 R HN 0.356 nan 8.270 nan 0.000 0.442 488 L N 0.460 121.798 121.223 0.191 0.000 2.056 488 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 488 L C 2.325 179.344 176.870 0.248 0.000 1.078 488 L CA 1.107 56.082 54.840 0.226 0.000 0.749 488 L CB -0.336 41.911 42.059 0.313 0.000 0.901 488 L HN 0.203 nan 8.230 nan 0.000 0.433 489 L N -1.901 119.514 121.223 0.320 0.000 2.093 489 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 489 L C 2.512 179.564 176.870 0.304 0.000 1.085 489 L CA 1.227 56.280 54.840 0.355 0.000 0.755 489 L CB -0.571 41.773 42.059 0.475 0.000 0.904 489 L HN 0.181 nan 8.230 nan 0.000 0.435 490 Y N 0.601 121.012 120.300 0.185 0.000 2.293 490 Y HA -0.259 4.291 4.550 -0.000 0.000 0.291 490 Y C 2.830 178.793 175.900 0.105 0.000 1.137 490 Y CA 1.312 59.498 58.100 0.145 0.000 1.202 490 Y CB 0.035 38.557 38.460 0.105 0.000 0.990 490 Y HN 0.014 nan 8.280 nan 0.000 0.537 491 R N 0.427 121.075 120.500 0.247 0.000 2.075 491 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 491 R C 2.062 178.389 176.300 0.044 0.000 1.126 491 R CA 1.594 57.779 56.100 0.143 0.000 0.963 491 R CB -1.208 29.166 30.300 0.123 0.000 0.858 491 R HN 0.416 nan 8.270 nan 0.000 0.435 492 L N 0.495 121.722 121.223 0.007 0.000 2.013 492 L HA -0.092 4.247 4.340 -0.000 0.000 0.212 492 L C 2.118 178.903 176.870 -0.141 0.000 1.073 492 L CA 2.429 57.191 54.840 -0.131 0.000 0.753 492 L CB -1.245 40.671 42.059 -0.238 0.000 0.890 492 L HN 0.292 nan 8.230 nan 0.000 0.432 493 A N -0.996 121.773 122.820 -0.084 0.000 1.940 493 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 493 A C 2.000 179.552 177.584 -0.053 0.000 1.176 493 A CA 1.932 53.937 52.037 -0.054 0.000 0.631 493 A CB -0.844 18.100 19.000 -0.093 0.000 0.814 493 A HN 0.569 nan 8.150 nan 0.000 0.446 494 D N -0.320 120.048 120.400 -0.052 0.000 2.117 494 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 494 D C 2.080 178.408 176.300 0.047 0.000 0.987 494 D CA 1.423 55.429 54.000 0.010 0.000 0.829 494 D CB -0.409 40.429 40.800 0.063 0.000 0.961 494 D HN 0.239 nan 8.370 nan 0.000 0.460 495 V N 1.041 120.978 119.914 0.038 0.000 2.358 495 V HA -0.242 3.877 4.120 -0.000 0.000 0.246 495 V C 2.504 178.678 176.094 0.133 0.000 1.047 495 V CA 1.327 63.676 62.300 0.083 0.000 1.035 495 V CB -0.447 31.369 31.823 -0.012 0.000 0.658 495 V HN 0.189 nan 8.190 nan 0.000 0.452 496 M N -0.356 119.266 119.600 0.037 0.000 2.108 496 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 496 M C 2.255 178.631 176.300 0.126 0.000 1.066 496 M CA 2.073 57.419 55.300 0.076 0.000 1.107 496 M CB -0.551 32.091 32.600 0.071 0.000 1.356 496 M HN 0.367 nan 8.290 nan 0.000 0.406 497 E N 0.596 120.851 120.200 0.092 0.000 2.077 497 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 497 E C 1.951 178.598 176.600 0.079 0.000 0.989 497 E CA 1.363 57.810 56.400 0.078 0.000 0.800 497 E CB 0.020 29.750 29.700 0.050 0.000 0.746 497 E HN 0.562 nan 8.360 nan 0.000 0.452 498 Q N -0.900 118.955 119.800 0.092 0.000 2.297 498 Q HA -0.168 4.172 4.340 -0.000 0.000 0.208 498 Q C 0.760 176.703 176.000 -0.094 0.000 0.981 498 Q CA 1.263 57.073 55.803 0.013 0.000 0.876 498 Q CB -0.023 28.724 28.738 0.014 0.000 0.921 498 Q HN 0.421 nan 8.270 nan 0.000 0.446 499 H N -0.749 118.332 119.070 0.020 0.000 2.486 499 H HA 0.058 4.614 4.556 -0.000 0.000 0.284 499 H C 1.319 176.673 175.328 0.042 0.000 1.103 499 H CA -0.077 55.985 56.048 0.024 0.000 1.089 499 H CB 0.345 30.117 29.762 0.016 0.000 1.603 499 H HN 0.313 nan 8.280 nan 0.000 0.557 500 Q N 0.348 120.223 119.800 0.126 0.000 2.119 500 Q HA -0.150 4.190 4.340 -0.000 0.000 0.201 500 Q C 0.834 176.896 176.000 0.102 0.000 0.972 500 Q CA 1.570 57.435 55.803 0.103 0.000 0.847 500 Q CB 0.083 28.863 28.738 0.070 0.000 0.903 500 Q HN 0.325 nan 8.270 nan 0.000 0.433 501 E N 1.572 121.842 120.200 0.117 0.000 2.072 501 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 501 E C 1.838 178.563 176.600 0.207 0.000 0.985 501 E CA 1.484 58.005 56.400 0.201 0.000 0.801 501 E CB -0.064 29.736 29.700 0.167 0.000 0.750 501 E HN 0.576 nan 8.360 nan 0.000 0.452 502 E N 0.428 120.707 120.200 0.133 0.000 2.077 502 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 502 E C 1.917 178.593 176.600 0.127 0.000 0.989 502 E CA 0.837 57.306 56.400 0.115 0.000 0.800 502 E CB -0.046 29.716 29.700 0.104 0.000 0.746 502 E HN 0.202 nan 8.360 nan 0.000 0.452 503 L N 0.349 121.654 121.223 0.136 0.000 2.056 503 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 503 L C 2.660 179.593 176.870 0.106 0.000 1.078 503 L CA 1.076 55.988 54.840 0.119 0.000 0.749 503 L CB -0.418 41.716 42.059 0.125 0.000 0.901 503 L HN 0.208 nan 8.230 nan 0.000 0.433 504 A N -0.569 122.313 122.820 0.103 0.000 1.972 504 A HA -0.186 4.133 4.320 -0.000 0.000 0.219 504 A C 2.350 180.045 177.584 0.185 0.000 1.169 504 A CA 2.271 54.340 52.037 0.055 0.000 0.635 504 A CB -0.820 18.091 19.000 -0.148 0.000 0.810 504 A HN 0.405 nan 8.150 nan 0.000 0.446 505 T N 0.253 114.962 114.554 0.259 0.000 2.812 505 T HA -0.023 4.326 4.350 -0.000 0.000 0.264 505 T C 1.777 176.532 174.700 0.093 0.000 1.042 505 T CA 1.358 63.568 62.100 0.183 0.000 1.140 505 T CB -0.370 68.551 68.868 0.089 0.000 0.870 505 T HN 0.448 nan 8.240 nan 0.000 0.445 506 I N 0.930 121.549 120.570 0.082 0.000 2.226 506 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 506 I C 2.698 178.847 176.117 0.053 0.000 1.100 506 I CA 1.263 62.600 61.300 0.062 0.000 1.374 506 I CB -0.309 37.733 38.000 0.070 0.000 1.057 506 I HN 0.185 nan 8.210 nan 0.000 0.413 507 E N 1.165 121.394 120.200 0.049 0.000 2.106 507 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 507 E C 2.188 178.771 176.600 -0.029 0.000 0.984 507 E CA 1.389 57.797 56.400 0.015 0.000 0.806 507 E CB -0.131 29.560 29.700 -0.015 0.000 0.750 507 E HN 0.425 nan 8.360 nan 0.000 0.458 508 A N 0.595 123.407 122.820 -0.012 0.000 1.865 508 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 508 A C 2.253 179.833 177.584 -0.006 0.000 1.191 508 A CA 1.550 53.582 52.037 -0.008 0.000 0.623 508 A CB -0.868 18.170 19.000 0.064 0.000 0.826 508 A HN 0.324 nan 8.150 nan 0.000 0.444 509 L N -1.045 120.185 121.223 0.011 0.000 2.046 509 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 509 L C 2.364 179.243 176.870 0.015 0.000 1.077 509 L CA 2.009 56.854 54.840 0.009 0.000 0.747 509 L CB -0.544 41.523 42.059 0.014 0.000 0.896 509 L HN 0.405 nan 8.230 nan 0.000 0.432 510 D N -0.828 119.589 120.400 0.028 0.000 2.216 510 D HA -0.013 4.626 4.640 -0.000 0.000 0.208 510 D C 1.684 178.015 176.300 0.051 0.000 0.960 510 D CA 1.106 55.133 54.000 0.045 0.000 0.861 510 D CB 0.386 41.222 40.800 0.061 0.000 0.985 510 D HN 0.207 nan 8.370 nan 0.000 0.493 511 A N -1.309 121.534 122.820 0.038 0.000 2.419 511 A HA 0.548 4.868 4.320 -0.000 0.000 0.233 511 A C 1.616 179.195 177.584 -0.008 0.000 1.217 511 A CA 0.729 52.795 52.037 0.050 0.000 0.944 511 A CB 0.217 19.268 19.000 0.086 0.000 1.025 511 A HN 0.266 nan 8.150 nan 0.000 0.524 512 G N -0.830 107.942 108.800 -0.046 0.000 2.148 512 G HA2 0.062 4.021 3.960 -0.000 0.000 0.254 512 G HA3 0.062 4.021 3.960 -0.000 0.000 0.254 512 G C 0.483 175.304 174.900 -0.131 0.000 0.981 512 G CA 0.372 45.409 45.100 -0.104 0.000 0.670 512 G HN 1.665 nan 8.290 nan 0.000 0.528 513 A N 0.003 122.732 122.820 -0.152 0.000 2.488 513 A HA 0.592 4.912 4.320 -0.000 0.000 0.249 513 A C 0.954 178.428 177.584 -0.184 0.000 1.083 513 A CA 0.309 52.189 52.037 -0.261 0.000 0.768 513 A CB 0.676 19.300 19.000 -0.626 0.000 1.017 513 A HN 1.242 nan 8.150 nan 0.000 0.496 514 V N 4.535 124.359 119.914 -0.149 0.000 2.540 514 V HA -0.138 3.982 4.120 -0.000 0.000 0.297 514 V C 1.355 177.423 176.094 -0.043 0.000 1.024 514 V CA 0.769 63.034 62.300 -0.059 0.000 1.105 514 V CB -0.577 31.220 31.823 -0.044 0.000 0.938 514 V HN 0.995 nan 8.190 nan 0.000 0.482 515 Y N 5.037 125.290 120.300 -0.078 0.000 2.151 515 Y HA -0.326 4.223 4.550 -0.000 0.000 0.284 515 Y C 2.567 178.447 175.900 -0.034 0.000 1.166 515 Y CA 2.525 60.588 58.100 -0.061 0.000 1.163 515 Y CB -0.241 38.198 38.460 -0.036 0.000 0.974 515 Y HN 0.824 nan 8.280 nan 0.000 0.511 516 T N -1.468 113.059 114.554 -0.046 0.000 2.867 516 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 516 T C 1.785 176.414 174.700 -0.119 0.000 1.057 516 T CA 1.315 63.348 62.100 -0.111 0.000 1.136 516 T CB -0.847 68.043 68.868 0.037 0.000 0.874 516 T HN 0.344 nan 8.240 nan 0.000 0.466 517 L N 1.823 122.999 121.223 -0.078 0.000 2.044 517 L HA 0.352 4.691 4.340 -0.000 0.000 0.205 517 L C 2.860 179.729 176.870 -0.001 0.000 1.075 517 L CA 1.681 56.507 54.840 -0.022 0.000 0.747 517 L CB -1.294 40.729 42.059 -0.060 0.000 0.903 517 L HN 0.317 nan 8.230 nan 0.000 0.435 518 A N -0.692 122.033 122.820 -0.157 0.000 1.940 518 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 518 A C 2.224 179.750 177.584 -0.097 0.000 1.176 518 A CA 1.974 53.897 52.037 -0.191 0.000 0.631 518 A CB -0.946 17.839 19.000 -0.359 0.000 0.814 518 A HN 0.454 nan 8.150 nan 0.000 0.446 519 L N -0.335 120.733 121.223 -0.259 0.000 2.056 519 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 519 L C 2.322 179.154 176.870 -0.063 0.000 1.078 519 L CA 2.475 57.176 54.840 -0.230 0.000 0.749 519 L CB -0.518 41.295 42.059 -0.410 0.000 0.901 519 L HN 0.481 nan 8.230 nan 0.000 0.433 520 K N -2.260 118.125 120.400 -0.025 0.000 2.076 520 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 520 K C 1.510 178.162 176.600 0.088 0.000 1.051 520 K CA 1.646 57.957 56.287 0.039 0.000 0.949 520 K CB 0.122 32.655 32.500 0.055 0.000 0.726 520 K HN 0.343 nan 8.250 nan 0.000 0.443 521 T N -0.896 113.747 114.554 0.147 0.000 3.348 521 T HA 0.041 4.391 4.350 -0.000 0.000 0.233 521 T C 1.399 176.178 174.700 0.131 0.000 0.960 521 T CA 0.424 62.620 62.100 0.161 0.000 1.343 521 T CB -0.523 68.514 68.868 0.281 0.000 1.068 521 T HN 0.196 nan 8.240 nan 0.000 0.410 522 H N 0.817 119.923 119.070 0.060 0.000 2.357 522 H HA -0.040 4.516 4.556 -0.000 0.000 0.296 522 H C 2.083 177.430 175.328 0.032 0.000 1.108 522 H CA 1.636 57.717 56.048 0.054 0.000 1.273 522 H CB -0.574 29.235 29.762 0.078 0.000 1.367 522 H HN 0.126 nan 8.280 nan 0.000 0.498 523 V N -1.124 118.891 119.914 0.167 0.000 2.690 523 V HA 0.086 4.205 4.120 -0.000 0.000 0.240 523 V C 2.612 178.770 176.094 0.106 0.000 1.078 523 V CA 1.172 63.543 62.300 0.119 0.000 1.102 523 V CB -0.729 31.144 31.823 0.084 0.000 0.800 523 V HN 0.571 nan 8.190 nan 0.000 0.479 524 G N -0.332 108.518 108.800 0.083 0.000 2.440 524 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 524 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 524 G C 1.640 176.593 174.900 0.088 0.000 1.154 524 G CA 1.316 46.460 45.100 0.074 0.000 0.767 524 G HN 0.389 nan 8.290 nan 0.000 0.552 525 M N 0.632 120.288 119.600 0.093 0.000 2.254 525 M HA 0.002 4.482 4.480 -0.000 0.000 0.265 525 M C 2.636 179.037 176.300 0.169 0.000 1.066 525 M CA 1.070 56.437 55.300 0.111 0.000 1.123 525 M CB 0.055 32.721 32.600 0.109 0.000 1.388 525 M HN 0.223 nan 8.290 nan 0.000 0.425 526 S N 0.971 116.771 115.700 0.168 0.000 2.382 526 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 526 S C 1.652 176.446 174.600 0.323 0.000 1.027 526 S CA 1.303 59.643 58.200 0.234 0.000 0.991 526 S CB -0.406 62.915 63.200 0.201 0.000 0.823 526 S HN 0.483 nan 8.310 nan 0.000 0.469 527 I N 1.472 122.182 120.570 0.233 0.000 2.202 527 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 527 I C 2.716 178.938 176.117 0.176 0.000 1.091 527 I CA 1.171 62.592 61.300 0.203 0.000 1.368 527 I CB -0.383 37.686 38.000 0.115 0.000 1.058 527 I HN 0.299 nan 8.210 nan 0.000 0.410 528 Q N 0.039 119.919 119.800 0.134 0.000 2.135 528 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 528 Q C 2.236 178.327 176.000 0.151 0.000 0.981 528 Q CA 2.191 58.058 55.803 0.107 0.000 0.856 528 Q CB -0.281 28.494 28.738 0.061 0.000 0.902 528 Q HN 0.525 nan 8.270 nan 0.000 0.425 529 T N 0.432 115.094 114.554 0.181 0.000 2.708 529 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 529 T C 1.425 176.284 174.700 0.265 0.000 1.037 529 T CA 1.195 63.416 62.100 0.202 0.000 1.146 529 T CB -0.354 68.626 68.868 0.185 0.000 0.865 529 T HN 0.197 nan 8.240 nan 0.000 0.435 530 F N 1.270 121.386 119.950 0.277 0.000 2.186 530 F HA 0.018 4.545 4.527 -0.000 0.000 0.299 530 F C 2.663 178.583 175.800 0.200 0.000 1.090 530 F CA 0.972 59.128 58.000 0.260 0.000 1.307 530 F CB -0.187 38.930 39.000 0.195 0.000 1.019 530 F HN -0.043 nan 8.300 nan 0.000 0.489 531 R N -1.270 119.375 120.500 0.241 0.000 2.092 531 R HA -0.192 4.147 4.340 -0.000 0.000 0.231 531 R C 2.064 178.497 176.300 0.223 0.000 1.119 531 R CA 1.526 57.686 56.100 0.100 0.000 0.970 531 R CB -0.734 29.509 30.300 -0.094 0.000 0.864 531 R HN 0.327 nan 8.270 nan 0.000 0.440 532 Y N 0.541 120.875 120.300 0.055 0.000 2.089 532 Y HA -0.224 4.325 4.550 -0.000 0.000 0.282 532 Y C 1.765 177.619 175.900 -0.076 0.000 1.139 532 Y CA 1.567 59.611 58.100 -0.094 0.000 1.123 532 Y CB -0.365 37.945 38.460 -0.249 0.000 0.980 532 Y HN -0.130 nan 8.280 nan 0.000 0.493 533 F N 0.096 120.174 119.950 0.215 0.000 2.234 533 F HA -0.065 4.461 4.527 -0.000 0.000 0.299 533 F C 2.573 178.484 175.800 0.185 0.000 1.087 533 F CA 1.028 59.153 58.000 0.210 0.000 1.340 533 F CB -1.156 37.969 39.000 0.208 0.000 1.031 533 F HN 0.176 nan 8.300 nan 0.000 0.500 534 A N 0.333 123.368 122.820 0.358 0.000 1.948 534 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 534 A C 2.583 180.266 177.584 0.166 0.000 1.177 534 A CA 1.893 54.115 52.037 0.309 0.000 0.636 534 A CB -1.586 17.657 19.000 0.404 0.000 0.815 534 A HN 0.404 nan 8.150 nan 0.000 0.449 535 G N -2.430 106.386 108.800 0.027 0.000 2.443 535 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 535 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 535 G C 1.329 176.079 174.900 -0.249 0.000 1.131 535 G CA 0.704 45.700 45.100 -0.174 0.000 0.775 535 G HN 0.690 nan 8.290 nan 0.000 0.547 536 W N -0.016 121.223 121.300 -0.102 0.000 2.518 536 W HA 0.021 4.681 4.660 -0.000 0.000 0.273 536 W C 2.582 179.108 176.519 0.011 0.000 1.247 536 W CA 0.019 57.328 57.345 -0.060 0.000 1.288 536 W CB -0.143 29.315 29.460 -0.004 0.000 1.107 536 W HN 0.151 nan 8.180 nan 0.000 0.586 537 C N 0.743 120.194 119.300 0.252 0.000 2.393 537 C HA -0.252 4.208 4.460 -0.000 0.000 0.276 537 C C 1.993 177.054 174.990 0.119 0.000 1.215 537 C CA 1.867 60.986 59.018 0.168 0.000 1.743 537 C CB -1.293 26.508 27.740 0.102 0.000 2.044 537 C HN 0.469 nan 8.230 nan 0.000 0.464 538 D N -0.108 120.338 120.400 0.076 0.000 2.325 538 D HA 0.003 4.642 4.640 -0.000 0.000 0.225 538 D C 0.976 177.316 176.300 0.066 0.000 1.096 538 D CA 0.378 54.406 54.000 0.047 0.000 0.844 538 D CB -0.598 40.205 40.800 0.006 0.000 0.925 538 D HN 0.484 nan 8.370 nan 0.000 0.513 539 K N -0.062 120.423 120.400 0.141 0.000 2.447 539 K HA 0.301 4.621 4.320 -0.000 0.000 0.205 539 K C 0.195 177.002 176.600 0.346 0.000 1.059 539 K CA -0.340 56.065 56.287 0.197 0.000 1.065 539 K CB 1.185 33.731 32.500 0.076 0.000 0.885 539 K HN 0.106 nan 8.250 nan 0.000 0.545 540 I N 2.631 123.364 120.570 0.272 0.000 2.436 540 I HA 0.020 4.189 4.170 -0.000 0.000 0.289 540 I C -0.147 176.035 176.117 0.109 0.000 1.083 540 I CA 0.287 61.688 61.300 0.169 0.000 1.372 540 I CB 0.546 38.617 38.000 0.119 0.000 1.408 540 I HN 0.052 nan 8.210 nan 0.000 0.516 541 Q N 4.200 124.053 119.800 0.088 0.000 2.372 541 Q HA 0.547 4.886 4.340 -0.000 0.000 0.273 541 Q C 0.040 176.069 176.000 0.048 0.000 1.078 541 Q CA -0.746 55.097 55.803 0.068 0.000 0.806 541 Q CB 2.646 31.430 28.738 0.077 0.000 1.332 541 Q HN 0.764 nan 8.270 nan 0.000 0.435 542 G N 0.390 109.216 108.800 0.042 0.000 2.641 542 G HA2 0.787 4.747 3.960 -0.000 0.000 0.239 542 G HA3 0.787 4.747 3.960 -0.000 0.000 0.239 542 G C -1.114 173.808 174.900 0.036 0.000 1.402 542 G CA -0.205 44.916 45.100 0.036 0.000 1.046 542 G HN 0.624 nan 8.290 nan 0.000 0.565 543 A N -1.240 121.601 122.820 0.035 0.000 2.430 543 A HA 0.833 5.152 4.320 -0.000 0.000 0.300 543 A C -0.104 177.503 177.584 0.038 0.000 1.124 543 A CA -0.082 51.974 52.037 0.033 0.000 0.766 543 A CB 1.493 20.510 19.000 0.028 0.000 1.328 543 A HN 1.398 nan 8.150 nan 0.000 0.424 544 T N -0.859 113.715 114.554 0.033 0.000 2.829 544 T HA 0.753 5.103 4.350 -0.000 0.000 0.280 544 T C -0.598 174.122 174.700 0.034 0.000 0.999 544 T CA -0.334 61.788 62.100 0.036 0.000 0.983 544 T CB 0.632 69.514 68.868 0.024 0.000 0.968 544 T HN 0.461 nan 8.240 nan 0.000 0.446 545 I N 3.888 124.483 120.570 0.041 0.000 2.498 545 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 545 I C -2.191 173.948 176.117 0.036 0.000 1.032 545 I CA -2.768 58.553 61.300 0.035 0.000 1.073 545 I CB 2.961 40.982 38.000 0.036 0.000 1.251 545 I HN 0.497 nan 8.210 nan 0.000 0.426 546 P HA 0.127 nan 4.420 nan 0.000 0.225 546 P C -0.209 177.104 177.300 0.021 0.000 1.813 546 P CA -0.215 62.899 63.100 0.024 0.000 1.013 546 P CB -0.493 31.217 31.700 0.017 0.000 1.961 547 I N -1.063 119.523 120.570 0.028 0.000 3.004 547 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 547 I C 0.187 176.311 176.117 0.013 0.000 1.144 547 I CA -0.546 60.767 61.300 0.022 0.000 1.353 547 I CB -0.532 37.487 38.000 0.032 0.000 1.417 547 I HN -0.080 nan 8.210 nan 0.000 0.602 548 N N 3.120 121.824 118.700 0.007 0.000 2.454 548 N HA 0.056 4.795 4.740 -0.000 0.000 0.254 548 N C -0.250 175.255 175.510 -0.007 0.000 1.228 548 N CA -0.010 53.039 53.050 -0.002 0.000 0.900 548 N CB 0.307 38.792 38.487 -0.003 0.000 1.089 548 N HN 0.473 nan 8.380 nan 0.000 0.449 549 Q N 0.582 120.371 119.800 -0.019 0.000 2.271 549 Q HA 0.410 4.749 4.340 -0.000 0.000 0.258 549 Q C -0.502 175.474 176.000 -0.040 0.000 0.936 549 Q CA -0.626 55.154 55.803 -0.038 0.000 0.909 549 Q CB 1.514 30.220 28.738 -0.053 0.000 1.253 549 Q HN 0.595 nan 8.270 nan 0.000 0.440 550 A N 4.364 127.157 122.820 -0.046 0.000 3.048 550 A HA 0.110 4.430 4.320 -0.000 0.000 0.264 550 A C 0.208 177.763 177.584 -0.048 0.000 1.796 550 A CA -0.383 51.631 52.037 -0.038 0.000 1.445 550 A CB -0.253 18.728 19.000 -0.031 0.000 1.074 550 A HN 0.357 nan 8.150 nan 0.000 0.621 551 R N 1.664 122.137 120.500 -0.044 0.000 2.583 551 R HA 0.076 4.416 4.340 -0.000 0.000 0.274 551 R C -1.488 174.791 176.300 -0.036 0.000 0.998 551 R CA -1.325 54.748 56.100 -0.044 0.000 1.081 551 R CB -0.084 30.195 30.300 -0.034 0.000 0.940 551 R HN 0.471 nan 8.270 nan 0.000 0.413 552 P HA 0.034 nan 4.420 nan 0.000 0.249 552 P C -0.443 176.818 177.300 -0.065 0.000 1.229 552 P CA 0.169 63.243 63.100 -0.043 0.000 0.788 552 P CB 0.427 32.110 31.700 -0.029 0.000 1.072 553 N N 1.224 119.876 118.700 -0.079 0.000 2.364 553 N HA 0.235 4.975 4.740 -0.000 0.000 0.264 553 N C 0.420 175.802 175.510 -0.212 0.000 1.263 553 N CA -0.175 52.796 53.050 -0.133 0.000 0.959 553 N CB 0.946 39.371 38.487 -0.103 0.000 1.204 553 N HN 0.035 nan 8.380 nan 0.000 0.550 554 R N -0.095 120.160 120.500 -0.408 0.000 2.892 554 R HA 0.466 4.805 4.340 -0.000 0.000 0.265 554 R C -0.829 175.149 176.300 -0.537 0.000 1.025 554 R CA -0.699 55.065 56.100 -0.561 0.000 0.982 554 R CB 1.198 30.938 30.300 -0.934 0.000 1.185 554 R HN 0.583 nan 8.270 nan 0.000 0.484 555 N N 0.312 118.860 118.700 -0.253 0.000 2.225 555 N HA 0.440 5.179 4.740 -0.000 0.000 0.298 555 N C -1.887 173.736 175.510 0.189 0.000 1.076 555 N CA -0.720 52.343 53.050 0.021 0.000 0.792 555 N CB 2.140 40.649 38.487 0.037 0.000 1.498 555 N HN 0.223 nan 8.380 nan 0.000 0.474 556 L N 0.853 122.278 121.223 0.337 0.000 2.365 556 L HA 0.739 5.079 4.340 -0.000 0.000 0.273 556 L C -1.154 175.891 176.870 0.292 0.000 1.000 556 L CA 0.034 55.020 54.840 0.244 0.000 0.819 556 L CB 2.076 44.173 42.059 0.062 0.000 1.284 556 L HN 0.524 nan 8.230 nan 0.000 0.418 557 T N 6.024 120.692 114.554 0.191 0.000 2.881 557 T HA 0.742 5.091 4.350 -0.000 0.000 0.290 557 T C -1.011 173.773 174.700 0.141 0.000 1.000 557 T CA -0.349 61.859 62.100 0.180 0.000 0.978 557 T CB 1.309 70.244 68.868 0.111 0.000 0.997 557 T HN 0.657 nan 8.240 nan 0.000 0.443 558 L N 0.560 121.879 121.223 0.159 0.000 2.359 558 L HA 1.016 5.356 4.340 -0.000 0.000 0.256 558 L C -0.116 176.807 176.870 0.089 0.000 1.026 558 L CA -0.899 54.010 54.840 0.115 0.000 0.828 558 L CB 1.559 43.697 42.059 0.131 0.000 1.406 558 L HN 0.617 nan 8.230 nan 0.000 0.413 559 T N -1.587 113.005 114.554 0.064 0.000 2.856 559 T HA 0.671 5.021 4.350 -0.000 0.000 0.283 559 T C -0.500 174.229 174.700 0.049 0.000 1.008 559 T CA -0.794 61.335 62.100 0.049 0.000 0.997 559 T CB 1.684 70.573 68.868 0.034 0.000 0.992 559 T HN 0.684 nan 8.240 nan 0.000 0.454 560 K N 2.089 122.515 120.400 0.044 0.000 2.244 560 K HA 0.360 4.679 4.320 -0.000 0.000 0.260 560 K C -0.625 175.998 176.600 0.039 0.000 0.951 560 K CA -0.768 55.545 56.287 0.043 0.000 0.826 560 K CB 1.567 34.093 32.500 0.044 0.000 1.108 560 K HN 0.565 nan 8.250 nan 0.000 0.433 561 K N 3.418 123.842 120.400 0.040 0.000 2.276 561 K HA 0.243 4.563 4.320 -0.000 0.000 0.285 561 K C -0.210 176.423 176.600 0.055 0.000 1.062 561 K CA -0.168 56.144 56.287 0.042 0.000 0.918 561 K CB 1.089 33.612 32.500 0.039 0.000 1.055 561 K HN 0.562 nan 8.250 nan 0.000 0.477 562 E N 2.977 123.216 120.200 0.065 0.000 2.336 562 E HA 0.369 4.719 4.350 -0.000 0.000 0.267 562 E C -2.486 174.188 176.600 0.122 0.000 0.906 562 E CA -2.292 54.163 56.400 0.092 0.000 0.781 562 E CB 1.865 31.621 29.700 0.092 0.000 1.261 562 E HN 0.207 nan 8.360 nan 0.000 0.436 563 P HA -0.078 nan 4.420 nan 0.000 0.270 563 P C 0.816 178.199 177.300 0.138 0.000 1.223 563 P CA -0.092 63.135 63.100 0.212 0.000 0.785 563 P CB 0.542 32.489 31.700 0.411 0.000 0.923 564 V N -0.998 118.946 119.914 0.050 0.000 2.788 564 V HA 0.293 4.413 4.120 -0.000 0.000 0.251 564 V C 1.078 177.047 176.094 -0.208 0.000 1.068 564 V CA 1.512 63.795 62.300 -0.028 0.000 1.090 564 V CB -1.475 30.342 31.823 -0.009 0.000 0.710 564 V HN 0.858 nan 8.190 nan 0.000 0.467 565 G N -0.128 108.362 108.800 -0.516 0.000 2.456 565 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.204 565 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.204 565 G C -0.487 174.015 174.900 -0.664 0.000 1.193 565 G CA -0.336 44.055 45.100 -1.181 0.000 1.220 565 G HN 0.769 nan 8.290 nan 0.000 0.565 566 V N 1.028 120.697 119.914 -0.409 0.000 2.488 566 V HA 0.457 4.577 4.120 -0.000 0.000 0.277 566 V C 0.634 176.670 176.094 -0.097 0.000 1.046 566 V CA -0.128 62.056 62.300 -0.194 0.000 0.986 566 V CB 0.386 32.127 31.823 -0.137 0.000 0.989 566 V HN 0.871 nan 8.190 nan 0.000 0.475 567 C N 3.883 123.164 119.300 -0.032 0.000 2.435 567 C HA 0.836 5.296 4.460 -0.000 0.000 0.333 567 C C 0.835 175.850 174.990 0.041 0.000 1.202 567 C CA -0.798 58.247 59.018 0.045 0.000 1.830 567 C CB 1.171 29.005 27.740 0.157 0.000 2.326 567 C HN 1.025 nan 8.230 nan 0.000 0.507 568 G N 1.665 110.500 108.800 0.059 0.000 2.372 568 G HA2 0.691 4.651 3.960 -0.000 0.000 0.323 568 G HA3 0.691 4.651 3.960 -0.000 0.000 0.323 568 G C -0.957 174.006 174.900 0.105 0.000 1.152 568 G CA -0.272 44.866 45.100 0.063 0.000 0.906 568 G HN 0.721 nan 8.290 nan 0.000 0.460 569 I N 2.326 122.956 120.570 0.099 0.000 2.355 569 I HA 0.271 4.441 4.170 -0.000 0.000 0.288 569 I C -0.577 175.601 176.117 0.101 0.000 0.999 569 I CA -0.833 60.533 61.300 0.109 0.000 1.163 569 I CB 2.174 40.225 38.000 0.084 0.000 1.316 569 I HN 0.036 nan 8.210 nan 0.000 0.454 570 V N 7.614 127.609 119.914 0.135 0.000 2.378 570 V HA 0.507 4.627 4.120 -0.000 0.000 0.288 570 V C 0.006 176.105 176.094 0.008 0.000 1.016 570 V CA -0.475 61.915 62.300 0.150 0.000 0.840 570 V CB 1.511 33.533 31.823 0.333 0.000 0.994 570 V HN 0.546 nan 8.190 nan 0.000 0.431 571 I N 4.000 124.544 120.570 -0.045 0.000 2.957 571 I HA 0.839 5.009 4.170 -0.000 0.000 0.310 571 I C -2.617 173.399 176.117 -0.168 0.000 1.063 571 I CA -2.429 58.777 61.300 -0.158 0.000 1.033 571 I CB 2.578 40.508 38.000 -0.116 0.000 1.230 571 I HN 0.366 nan 8.210 nan 0.000 0.447 572 P HA 0.228 nan 4.420 nan 0.000 0.310 572 P C -0.289 176.879 177.300 -0.221 0.000 1.309 572 P CA -0.287 62.606 63.100 -0.346 0.000 0.769 572 P CB 0.771 32.116 31.700 -0.591 0.000 1.327 573 W N 0.117 121.391 121.300 -0.044 0.000 3.177 573 W HA 0.077 4.737 4.660 -0.000 0.000 0.309 573 W C 0.958 177.463 176.519 -0.023 0.000 1.224 573 W CA 0.095 57.424 57.345 -0.026 0.000 1.718 573 W CB -1.402 28.039 29.460 -0.032 0.000 1.078 573 W HN 0.231 nan 8.180 nan 0.000 0.618 574 N N 1.862 120.449 118.700 -0.188 0.000 2.216 574 N HA -0.215 4.525 4.740 -0.000 0.000 0.183 574 N C -0.278 175.017 175.510 -0.359 0.000 1.017 574 N CA 1.018 53.946 53.050 -0.204 0.000 0.861 574 N CB -1.112 37.094 38.487 -0.469 0.000 0.986 574 N HN 0.226 nan 8.380 nan 0.000 0.428 575 Y N 0.051 120.263 120.300 -0.147 0.000 2.662 575 Y HA 0.409 4.958 4.550 -0.000 0.000 0.358 575 Y C -1.788 174.017 175.900 -0.157 0.000 1.041 575 Y CA -2.008 55.957 58.100 -0.226 0.000 1.184 575 Y CB 2.136 40.301 38.460 -0.492 0.000 1.114 575 Y HN -0.016 nan 8.280 nan 0.000 0.650 576 P HA -0.223 nan 4.420 nan 0.000 0.214 576 P C 1.788 179.086 177.300 -0.003 0.000 1.163 576 P CA 1.085 64.217 63.100 0.054 0.000 0.883 576 P CB 0.484 32.248 31.700 0.105 0.000 0.788 577 L N -1.732 119.511 121.223 0.034 0.000 2.093 577 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 577 L C 2.404 179.212 176.870 -0.104 0.000 1.085 577 L CA 1.784 56.614 54.840 -0.016 0.000 0.755 577 L CB -1.090 41.005 42.059 0.061 0.000 0.904 577 L HN -0.118 nan 8.230 nan 0.000 0.435 578 M N -1.863 117.641 119.600 -0.160 0.000 2.123 578 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 578 M C 2.064 177.962 176.300 -0.670 0.000 1.069 578 M CA 1.542 56.613 55.300 -0.382 0.000 1.133 578 M CB 0.003 32.276 32.600 -0.545 0.000 1.356 578 M HN 0.245 nan 8.290 nan 0.000 0.415 579 M N 0.051 119.292 119.600 -0.599 0.000 2.149 579 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 579 M C 2.234 178.385 176.300 -0.249 0.000 1.064 579 M CA 1.567 56.562 55.300 -0.508 0.000 1.102 579 M CB -1.520 30.884 32.600 -0.327 0.000 1.369 579 M HN 0.432 nan 8.290 nan 0.000 0.408 580 L N -0.242 120.857 121.223 -0.205 0.000 2.017 580 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 580 L C 2.444 179.206 176.870 -0.181 0.000 1.073 580 L CA 1.460 56.195 54.840 -0.175 0.000 0.745 580 L CB -0.239 41.688 42.059 -0.219 0.000 0.894 580 L HN 0.207 nan 8.230 nan 0.000 0.432 581 S N -0.765 114.830 115.700 -0.175 0.000 2.368 581 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 581 S C 1.456 175.977 174.600 -0.131 0.000 1.030 581 S CA 1.387 59.501 58.200 -0.143 0.000 0.999 581 S CB -0.519 62.712 63.200 0.052 0.000 0.844 581 S HN 0.536 nan 8.310 nan 0.000 0.459 582 W N 2.234 123.409 121.300 -0.207 0.000 2.302 582 W HA -0.101 4.559 4.660 -0.000 0.000 0.320 582 W C 2.273 178.664 176.519 -0.214 0.000 1.241 582 W CA 0.804 58.061 57.345 -0.148 0.000 1.264 582 W CB -0.901 28.517 29.460 -0.069 0.000 1.154 582 W HN 0.332 nan 8.180 nan 0.000 0.483 583 K N -1.414 119.036 120.400 0.083 0.000 2.076 583 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 583 K C 1.906 178.377 176.600 -0.215 0.000 1.051 583 K CA 1.703 57.990 56.287 0.000 0.000 0.949 583 K CB -0.719 31.840 32.500 0.098 0.000 0.726 583 K HN 0.009 nan 8.250 nan 0.000 0.443 584 T N 1.432 115.879 114.554 -0.179 0.000 2.821 584 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 584 T C 2.045 176.618 174.700 -0.212 0.000 1.046 584 T CA 1.272 63.291 62.100 -0.136 0.000 1.139 584 T CB -0.176 68.712 68.868 0.033 0.000 0.871 584 T HN 0.288 nan 8.240 nan 0.000 0.454 585 A N 1.502 124.021 122.820 -0.502 0.000 1.877 585 A HA 0.167 4.487 4.320 -0.000 0.000 0.216 585 A C 2.630 179.929 177.584 -0.474 0.000 1.186 585 A CA 1.805 53.501 52.037 -0.570 0.000 0.620 585 A CB -1.082 17.427 19.000 -0.818 0.000 0.822 585 A HN 0.500 nan 8.150 nan 0.000 0.443 586 A N -1.178 121.110 122.820 -0.886 0.000 1.898 586 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 586 A C 2.401 179.576 177.584 -0.680 0.000 1.181 586 A CA 1.586 52.998 52.037 -1.040 0.000 0.620 586 A CB -1.415 16.980 19.000 -1.008 0.000 0.819 586 A HN 0.819 nan 8.150 nan 0.000 0.442 587 C N -0.282 118.428 119.300 -0.983 0.000 2.413 587 C HA -0.078 4.382 4.460 -0.000 0.000 0.276 587 C C 2.610 177.448 174.990 -0.253 0.000 1.236 587 C CA 1.329 59.717 59.018 -1.049 0.000 1.735 587 C CB -1.498 25.686 27.740 -0.927 0.000 2.031 587 C HN 0.577 nan 8.230 nan 0.000 0.474 588 L N 1.035 122.232 121.223 -0.044 0.000 2.109 588 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 588 L C 3.047 180.150 176.870 0.387 0.000 1.086 588 L CA 1.456 56.489 54.840 0.322 0.000 0.760 588 L CB -0.894 41.406 42.059 0.402 0.000 0.910 588 L HN 0.440 nan 8.230 nan 0.000 0.437 589 A N 0.293 123.243 122.820 0.216 0.000 1.978 589 A HA -0.131 4.188 4.320 -0.000 0.000 0.220 589 A C 2.361 180.043 177.584 0.164 0.000 1.170 589 A CA 1.647 53.820 52.037 0.226 0.000 0.636 589 A CB -0.505 18.665 19.000 0.282 0.000 0.810 589 A HN 0.399 nan 8.150 nan 0.000 0.448 590 A N -2.017 120.875 122.820 0.120 0.000 2.238 590 A HA 0.406 4.726 4.320 -0.000 0.000 0.208 590 A C 1.755 179.432 177.584 0.155 0.000 1.177 590 A CA 1.232 53.344 52.037 0.125 0.000 0.804 590 A CB -0.805 18.273 19.000 0.131 0.000 0.823 590 A HN 1.871 nan 8.150 nan 0.000 0.482 591 G N -0.939 107.982 108.800 0.201 0.000 2.159 591 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.227 591 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.227 591 G C -0.010 175.203 174.900 0.522 0.000 0.986 591 G CA 0.059 45.278 45.100 0.200 0.000 0.651 591 G HN 0.485 nan 8.290 nan 0.000 0.523 592 N N 0.586 119.569 118.700 0.471 0.000 2.413 592 N HA 0.609 5.349 4.740 -0.000 0.000 0.266 592 N C 0.612 176.362 175.510 0.399 0.000 1.238 592 N CA 0.773 54.034 53.050 0.351 0.000 0.972 592 N CB 0.997 39.560 38.487 0.127 0.000 1.210 592 N HN 0.557 nan 8.380 nan 0.000 0.547 593 T N -3.316 111.339 114.554 0.168 0.000 2.940 593 T HA 0.672 5.022 4.350 -0.000 0.000 0.288 593 T C -0.453 174.237 174.700 -0.017 0.000 1.045 593 T CA -0.776 61.340 62.100 0.027 0.000 1.018 593 T CB 1.531 70.429 68.868 0.051 0.000 1.151 593 T HN 0.209 nan 8.240 nan 0.000 0.529 594 V N 0.796 120.689 119.914 -0.035 0.000 2.888 594 V HA 0.638 4.758 4.120 -0.000 0.000 0.309 594 V C -1.423 174.670 176.094 -0.001 0.000 1.114 594 V CA -0.716 61.579 62.300 -0.008 0.000 0.940 594 V CB 2.268 34.096 31.823 0.008 0.000 1.021 594 V HN 0.983 nan 8.190 nan 0.000 0.426 595 V N 7.424 127.342 119.914 0.006 0.000 2.384 595 V HA 0.558 4.677 4.120 -0.000 0.000 0.287 595 V C -0.167 175.956 176.094 0.047 0.000 1.020 595 V CA -0.414 61.896 62.300 0.018 0.000 0.850 595 V CB 1.464 33.279 31.823 -0.014 0.000 0.987 595 V HN 0.667 nan 8.190 nan 0.000 0.436 596 I N 4.860 125.471 120.570 0.069 0.000 2.354 596 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 596 I C 0.131 176.296 176.117 0.081 0.000 0.989 596 I CA -0.595 60.751 61.300 0.076 0.000 1.188 596 I CB 1.553 39.604 38.000 0.086 0.000 1.342 596 I HN 0.347 nan 8.210 nan 0.000 0.457 597 K N 8.506 128.952 120.400 0.078 0.000 2.347 597 K HA 0.439 4.759 4.320 -0.000 0.000 0.262 597 K C -2.567 174.078 176.600 0.075 0.000 1.052 597 K CA -1.912 54.425 56.287 0.083 0.000 0.946 597 K CB 1.377 33.929 32.500 0.086 0.000 1.220 597 K HN 0.215 nan 8.250 nan 0.000 0.450 598 P HA 0.105 nan 4.420 nan 0.000 0.274 598 P C -0.595 176.755 177.300 0.083 0.000 1.237 598 P CA -0.510 62.635 63.100 0.076 0.000 0.793 598 P CB 0.580 32.339 31.700 0.099 0.000 0.977 599 A N 1.604 124.473 122.820 0.083 0.000 2.540 599 A HA -0.062 4.258 4.320 -0.000 0.000 0.239 599 A C 1.728 179.365 177.584 0.089 0.000 1.061 599 A CA 0.080 52.179 52.037 0.104 0.000 0.758 599 A CB -0.586 18.528 19.000 0.189 0.000 0.991 599 A HN 0.696 nan 8.150 nan 0.000 0.502 600 Q N 1.470 121.284 119.800 0.023 0.000 2.112 600 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 600 Q C 1.721 177.754 176.000 0.055 0.000 0.987 600 Q CA 2.494 58.268 55.803 -0.049 0.000 0.858 600 Q CB -0.345 28.242 28.738 -0.251 0.000 0.905 600 Q HN 0.986 nan 8.270 nan 0.000 0.420 601 V N -2.037 117.862 119.914 -0.025 0.000 2.970 601 V HA -0.023 4.097 4.120 -0.000 0.000 0.260 601 V C 1.054 177.186 176.094 0.064 0.000 1.100 601 V CA 1.322 63.597 62.300 -0.041 0.000 1.122 601 V CB -0.515 31.078 31.823 -0.382 0.000 0.721 601 V HN 0.415 nan 8.190 nan 0.000 0.483 602 T N -2.173 112.451 114.554 0.117 0.000 3.504 602 T HA 0.480 4.830 4.350 -0.000 0.000 0.286 602 T C -1.679 173.105 174.700 0.140 0.000 1.530 602 T CA -0.753 61.426 62.100 0.131 0.000 1.652 602 T CB 1.292 70.254 68.868 0.158 0.000 0.895 602 T HN 0.391 nan 8.240 nan 0.000 0.674 603 P HA 0.264 nan 4.420 nan 0.000 0.245 603 P C 1.379 178.760 177.300 0.134 0.000 1.203 603 P CA -0.144 63.053 63.100 0.161 0.000 0.792 603 P CB 0.366 32.193 31.700 0.211 0.000 0.997 604 L N 0.214 121.504 121.223 0.112 0.000 2.131 604 L HA -0.061 4.278 4.340 -0.000 0.000 0.206 604 L C 2.635 179.570 176.870 0.107 0.000 1.087 604 L CA 2.150 57.051 54.840 0.101 0.000 0.767 604 L CB -1.587 40.519 42.059 0.078 0.000 0.917 604 L HN 0.065 nan 8.230 nan 0.000 0.441 605 T N -2.390 112.228 114.554 0.107 0.000 2.867 605 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 605 T C 1.968 176.754 174.700 0.144 0.000 1.057 605 T CA 0.833 63.002 62.100 0.115 0.000 1.136 605 T CB -0.297 68.635 68.868 0.107 0.000 0.874 605 T HN 0.280 nan 8.240 nan 0.000 0.466 606 A N 1.828 124.727 122.820 0.132 0.000 1.902 606 A HA 0.141 4.461 4.320 -0.000 0.000 0.217 606 A C 2.426 180.136 177.584 0.210 0.000 1.181 606 A CA 1.294 53.426 52.037 0.159 0.000 0.623 606 A CB -0.870 18.202 19.000 0.121 0.000 0.818 606 A HN 0.544 nan 8.150 nan 0.000 0.443 607 L N -1.245 120.085 121.223 0.179 0.000 2.109 607 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 607 L C 2.568 179.536 176.870 0.162 0.000 1.086 607 L CA 1.622 56.588 54.840 0.211 0.000 0.760 607 L CB -0.367 41.821 42.059 0.214 0.000 0.910 607 L HN 0.319 nan 8.230 nan 0.000 0.437 608 K N 0.627 121.096 120.400 0.116 0.000 2.057 608 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 608 K C 1.995 178.607 176.600 0.020 0.000 1.050 608 K CA 1.390 57.715 56.287 0.062 0.000 0.935 608 K CB -0.508 32.031 32.500 0.066 0.000 0.715 608 K HN 0.106 nan 8.250 nan 0.000 0.439 609 F N 0.885 120.795 119.950 -0.066 0.000 2.091 609 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 609 F C 1.827 177.498 175.800 -0.215 0.000 1.103 609 F CA 1.920 59.849 58.000 -0.119 0.000 1.228 609 F CB -0.737 38.227 39.000 -0.060 0.000 0.984 609 F HN 0.087 nan 8.300 nan 0.000 0.477 610 A N -0.020 122.620 122.820 -0.299 0.000 1.917 610 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 610 A C 2.293 179.341 177.584 -0.893 0.000 1.182 610 A CA 1.974 53.500 52.037 -0.851 0.000 0.633 610 A CB -1.140 17.224 19.000 -1.061 0.000 0.819 610 A HN 0.637 nan 8.150 nan 0.000 0.448 611 E N -0.128 119.889 120.200 -0.306 0.000 2.106 611 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 611 E C 1.866 178.327 176.600 -0.231 0.000 0.984 611 E CA 0.956 57.306 56.400 -0.083 0.000 0.806 611 E CB -0.184 29.558 29.700 0.070 0.000 0.750 611 E HN 0.667 nan 8.360 nan 0.000 0.458 612 L N 0.820 121.821 121.223 -0.369 0.000 2.201 612 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 612 L C 2.866 179.479 176.870 -0.428 0.000 1.105 612 L CA 1.482 56.075 54.840 -0.411 0.000 0.775 612 L CB -0.867 40.924 42.059 -0.448 0.000 0.913 612 L HN 0.319 nan 8.230 nan 0.000 0.440 613 T N -1.813 112.389 114.554 -0.587 0.000 2.833 613 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 613 T C 1.853 176.427 174.700 -0.211 0.000 1.054 613 T CA 0.869 62.694 62.100 -0.458 0.000 1.135 613 T CB -0.430 68.127 68.868 -0.519 0.000 0.869 613 T HN 0.235 nan 8.240 nan 0.000 0.466 614 L N 0.537 121.671 121.223 -0.150 0.000 2.017 614 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 614 L C 3.061 179.913 176.870 -0.029 0.000 1.073 614 L CA 1.675 56.500 54.840 -0.024 0.000 0.745 614 L CB -0.528 41.563 42.059 0.054 0.000 0.894 614 L HN 0.250 nan 8.230 nan 0.000 0.432 615 K N 0.243 120.608 120.400 -0.058 0.000 2.152 615 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 615 K C 2.030 178.615 176.600 -0.025 0.000 1.048 615 K CA 1.408 57.678 56.287 -0.029 0.000 0.933 615 K CB -0.237 32.240 32.500 -0.038 0.000 0.721 615 K HN 0.300 nan 8.250 nan 0.000 0.447 616 A N 0.438 123.219 122.820 -0.065 0.000 2.169 616 A HA 0.157 4.477 4.320 -0.000 0.000 0.212 616 A C 1.435 179.023 177.584 0.006 0.000 1.153 616 A CA 0.914 52.930 52.037 -0.036 0.000 0.756 616 A CB -0.223 18.726 19.000 -0.086 0.000 0.813 616 A HN 0.419 nan 8.150 nan 0.000 0.471 617 G N -0.661 108.140 108.800 0.002 0.000 2.132 617 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.228 617 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.228 617 G C -0.041 174.888 174.900 0.049 0.000 1.000 617 G CA 0.004 45.124 45.100 0.033 0.000 0.693 617 G HN 0.322 nan 8.290 nan 0.000 0.515 618 I N 1.395 121.967 120.570 0.004 0.000 2.587 618 I HA 0.172 4.342 4.170 -0.000 0.000 0.284 618 I C -1.359 174.741 176.117 -0.027 0.000 1.134 618 I CA -2.277 59.010 61.300 -0.022 0.000 1.410 618 I CB -0.230 37.679 38.000 -0.152 0.000 1.392 618 I HN -0.072 nan 8.210 nan 0.000 0.545 619 P HA -0.014 nan 4.420 nan 0.000 0.266 619 P C -0.221 177.046 177.300 -0.056 0.000 1.193 619 P CA -0.058 63.056 63.100 0.024 0.000 0.770 619 P CB 0.329 32.102 31.700 0.121 0.000 0.836 620 K N 1.967 122.337 120.400 -0.050 0.000 2.448 620 K HA 0.248 4.567 4.320 -0.000 0.000 0.278 620 K C 1.542 178.067 176.600 -0.125 0.000 1.009 620 K CA 0.865 57.087 56.287 -0.108 0.000 0.995 620 K CB -0.475 31.958 32.500 -0.113 0.000 0.917 620 K HN 0.862 nan 8.250 nan 0.000 0.481 621 G N 0.800 109.490 108.800 -0.184 0.000 2.217 621 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.246 621 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.246 621 G C 0.944 175.760 174.900 -0.139 0.000 0.990 621 G CA 0.217 45.225 45.100 -0.154 0.000 0.627 621 G HN 0.346 nan 8.290 nan 0.000 0.522 622 V N -0.009 119.788 119.914 -0.195 0.000 2.358 622 V HA 0.099 4.219 4.120 -0.000 0.000 0.246 622 V C 1.506 177.467 176.094 -0.222 0.000 1.047 622 V CA 1.938 64.039 62.300 -0.333 0.000 1.035 622 V CB 0.138 31.527 31.823 -0.724 0.000 0.658 622 V HN 0.341 nan 8.190 nan 0.000 0.452 623 V N 1.892 121.738 119.914 -0.112 0.000 2.409 623 V HA 0.464 4.584 4.120 -0.000 0.000 0.291 623 V C -0.667 175.504 176.094 0.129 0.000 1.020 623 V CA -0.685 61.639 62.300 0.040 0.000 0.848 623 V CB 1.585 33.466 31.823 0.097 0.000 0.990 623 V HN 0.475 nan 8.190 nan 0.000 0.430 624 N N 5.633 124.396 118.700 0.105 0.000 2.249 624 N HA 0.632 5.371 4.740 -0.000 0.000 0.296 624 N C -1.403 174.194 175.510 0.145 0.000 1.051 624 N CA -0.519 52.581 53.050 0.083 0.000 0.815 624 N CB 3.080 41.541 38.487 -0.043 0.000 1.487 624 N HN 0.436 nan 8.380 nan 0.000 0.475 625 I N 2.290 122.976 120.570 0.192 0.000 2.447 625 I HA 0.363 4.532 4.170 -0.000 0.000 0.287 625 I C -0.644 175.560 176.117 0.144 0.000 1.023 625 I CA -0.563 60.842 61.300 0.175 0.000 1.083 625 I CB 2.015 40.138 38.000 0.206 0.000 1.245 625 I HN 0.295 nan 8.210 nan 0.000 0.434 626 L N 7.504 128.799 121.223 0.121 0.000 2.445 626 L HA 0.385 4.725 4.340 -0.000 0.000 0.252 626 L C -2.467 174.481 176.870 0.131 0.000 1.105 626 L CA -1.634 53.274 54.840 0.113 0.000 0.943 626 L CB 1.162 43.269 42.059 0.081 0.000 1.277 626 L HN 0.231 nan 8.230 nan 0.000 0.465 627 P HA 0.252 nan 4.420 nan 0.000 0.265 627 P C 0.295 177.712 177.300 0.195 0.000 1.193 627 P CA 0.278 63.512 63.100 0.223 0.000 0.765 627 P CB 1.069 32.956 31.700 0.313 0.000 0.823 628 G N 0.906 109.759 108.800 0.090 0.000 2.341 628 G HA2 0.349 4.308 3.960 -0.000 0.000 0.293 628 G HA3 0.349 4.308 3.960 -0.000 0.000 0.293 628 G C -1.008 173.843 174.900 -0.081 0.000 1.298 628 G CA -0.335 44.748 45.100 -0.029 0.000 0.868 628 G HN 0.567 nan 8.290 nan 0.000 0.540 629 S N -0.583 115.064 115.700 -0.088 0.000 2.610 629 S HA 0.580 5.050 4.470 -0.000 0.000 0.273 629 S C 1.638 176.233 174.600 -0.009 0.000 1.274 629 S CA 0.754 58.912 58.200 -0.071 0.000 1.023 629 S CB 1.441 64.592 63.200 -0.081 0.000 0.962 629 S HN 2.066 nan 8.310 nan 0.000 0.523 630 G N 1.300 110.107 108.800 0.012 0.000 2.408 630 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 630 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 630 G C 1.608 176.527 174.900 0.031 0.000 1.150 630 G CA 0.839 45.965 45.100 0.045 0.000 0.776 630 G HN 1.100 nan 8.290 nan 0.000 0.542 631 S N -0.479 115.225 115.700 0.006 0.000 2.474 631 S HA 0.109 4.579 4.470 -0.000 0.000 0.235 631 S C 2.072 176.680 174.600 0.013 0.000 0.997 631 S CA 1.109 59.307 58.200 -0.003 0.000 0.949 631 S CB 0.004 63.187 63.200 -0.028 0.000 0.766 631 S HN 0.351 nan 8.310 nan 0.000 0.517 632 L N -0.096 121.134 121.223 0.013 0.000 2.488 632 L HA 0.265 4.605 4.340 -0.000 0.000 0.186 632 L C 2.313 179.205 176.870 0.036 0.000 1.124 632 L CA 0.496 55.349 54.840 0.021 0.000 0.838 632 L CB -0.218 41.849 42.059 0.012 0.000 1.107 632 L HN 0.180 nan 8.230 nan 0.000 0.494 633 V N 0.386 120.322 119.914 0.037 0.000 2.283 633 V HA -0.126 3.994 4.120 -0.000 0.000 0.243 633 V C 2.643 178.772 176.094 0.059 0.000 1.039 633 V CA 1.881 64.210 62.300 0.050 0.000 1.016 633 V CB -1.319 30.534 31.823 0.051 0.000 0.650 633 V HN 0.644 nan 8.190 nan 0.000 0.449 634 G N -0.739 108.098 108.800 0.063 0.000 2.469 634 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.219 634 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.219 634 G C 1.541 176.480 174.900 0.066 0.000 1.150 634 G CA 1.316 46.461 45.100 0.076 0.000 0.763 634 G HN 0.506 nan 8.290 nan 0.000 0.561 635 Q N 0.170 120.008 119.800 0.064 0.000 2.079 635 Q HA -0.052 4.287 4.340 -0.000 0.000 0.200 635 Q C 2.533 178.567 176.000 0.057 0.000 0.974 635 Q CA 1.687 57.531 55.803 0.068 0.000 0.840 635 Q CB -0.272 28.515 28.738 0.082 0.000 0.898 635 Q HN 0.379 nan 8.270 nan 0.000 0.430 636 R N -0.172 120.365 120.500 0.062 0.000 2.075 636 R HA -0.021 4.318 4.340 -0.000 0.000 0.232 636 R C 2.066 178.431 176.300 0.108 0.000 1.126 636 R CA 1.470 57.616 56.100 0.077 0.000 0.963 636 R CB -0.732 29.618 30.300 0.083 0.000 0.858 636 R HN 0.432 nan 8.270 nan 0.000 0.435 637 L N 0.351 121.628 121.223 0.090 0.000 2.013 637 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 637 L C 2.418 179.334 176.870 0.077 0.000 1.073 637 L CA 1.965 56.853 54.840 0.080 0.000 0.753 637 L CB -0.649 41.444 42.059 0.058 0.000 0.890 637 L HN 0.428 nan 8.230 nan 0.000 0.432 638 S N -1.637 114.093 115.700 0.050 0.000 2.447 638 S HA -0.143 4.326 4.470 -0.000 0.000 0.233 638 S C 1.392 176.000 174.600 0.014 0.000 1.006 638 S CA 1.157 59.368 58.200 0.018 0.000 0.957 638 S CB -0.215 62.971 63.200 -0.022 0.000 0.773 638 S HN 0.381 nan 8.310 nan 0.000 0.507 639 D N 0.143 120.563 120.400 0.034 0.000 2.346 639 D HA 0.088 4.728 4.640 -0.000 0.000 0.206 639 D C 0.450 176.772 176.300 0.037 0.000 1.001 639 D CA 0.286 54.296 54.000 0.016 0.000 0.871 639 D CB -0.402 40.400 40.800 0.003 0.000 0.943 639 D HN 0.488 nan 8.370 nan 0.000 0.518 640 H N 2.323 121.389 119.070 -0.006 0.000 2.886 640 H HA 0.013 4.569 4.556 -0.000 0.000 0.329 640 H C -1.513 173.812 175.328 -0.006 0.000 1.044 640 H CA -0.891 55.155 56.048 -0.003 0.000 1.456 640 H CB 1.684 31.448 29.762 0.002 0.000 1.464 640 H HN -0.073 nan 8.280 nan 0.000 0.573 641 P HA -0.051 nan 4.420 nan 0.000 0.233 641 P C 0.266 177.660 177.300 0.158 0.000 1.167 641 P CA 0.753 63.887 63.100 0.058 0.000 0.770 641 P CB 0.606 32.287 31.700 -0.033 0.000 0.837 642 D N -0.722 119.898 120.400 0.367 0.000 2.379 642 D HA 0.063 4.702 4.640 -0.000 0.000 0.208 642 D C 0.511 176.841 176.300 0.050 0.000 1.065 642 D CA 0.170 54.275 54.000 0.176 0.000 0.848 642 D CB 0.667 41.564 40.800 0.162 0.000 0.949 642 D HN 0.039 nan 8.370 nan 0.000 0.509 643 V N 2.106 122.056 119.914 0.059 0.000 2.530 643 V HA 0.141 4.261 4.120 -0.000 0.000 0.282 643 V C 1.330 177.427 176.094 0.005 0.000 1.048 643 V CA -0.065 62.230 62.300 -0.008 0.000 0.997 643 V CB 1.903 33.726 31.823 -0.001 0.000 0.987 643 V HN -0.045 nan 8.190 nan 0.000 0.477 644 R N 2.684 123.170 120.500 -0.024 0.000 2.404 644 R HA 0.329 4.668 4.340 -0.000 0.000 0.237 644 R C 0.279 176.567 176.300 -0.019 0.000 0.907 644 R CA -0.033 56.053 56.100 -0.024 0.000 1.063 644 R CB 0.476 30.746 30.300 -0.050 0.000 1.134 644 R HN 0.529 nan 8.270 nan 0.000 0.529 645 K N 1.037 121.434 120.400 -0.006 0.000 2.569 645 K HA 0.273 4.593 4.320 -0.000 0.000 0.259 645 K C -1.601 175.016 176.600 0.029 0.000 0.932 645 K CA -0.461 55.825 56.287 -0.003 0.000 0.833 645 K CB 1.832 34.322 32.500 -0.016 0.000 1.340 645 K HN -0.162 nan 8.250 nan 0.000 0.429 646 I N 2.401 122.989 120.570 0.030 0.000 2.378 646 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 646 I C 0.616 176.781 176.117 0.081 0.000 0.992 646 I CA -0.536 60.805 61.300 0.068 0.000 1.154 646 I CB 1.377 39.412 38.000 0.058 0.000 1.315 646 I HN 0.699 nan 8.210 nan 0.000 0.448 647 G N 5.936 114.816 108.800 0.133 0.000 2.370 647 G HA2 0.546 4.506 3.960 -0.000 0.000 0.317 647 G HA3 0.546 4.506 3.960 -0.000 0.000 0.317 647 G C -1.482 173.538 174.900 0.201 0.000 1.162 647 G CA -0.258 44.929 45.100 0.145 0.000 0.922 647 G HN 0.384 nan 8.290 nan 0.000 0.454 648 F N 2.233 122.188 119.950 0.008 0.000 2.547 648 F HA 0.695 5.222 4.527 -0.000 0.000 0.316 648 F C -0.341 175.445 175.800 -0.023 0.000 1.121 648 F CA -0.544 57.450 58.000 -0.009 0.000 0.911 648 F CB 2.488 41.471 39.000 -0.027 0.000 1.179 648 F HN 0.377 nan 8.300 nan 0.000 0.443 649 T N 4.446 118.487 114.554 -0.854 0.000 2.824 649 T HA 0.833 5.183 4.350 -0.000 0.000 0.282 649 T C -0.155 173.753 174.700 -1.320 0.000 0.993 649 T CA -0.185 61.434 62.100 -0.803 0.000 0.967 649 T CB 1.391 70.058 68.868 -0.334 0.000 0.960 649 T HN 1.122 nan 8.240 nan 0.000 0.441 650 G N 1.788 110.029 108.800 -0.932 0.000 2.455 650 G HA2 0.420 4.380 3.960 -0.000 0.000 0.223 650 G HA3 0.420 4.380 3.960 -0.000 0.000 0.223 650 G C -0.673 174.122 174.900 -0.175 0.000 1.226 650 G CA -0.202 44.548 45.100 -0.583 0.000 0.948 650 G HN 0.981 nan 8.290 nan 0.000 0.478 651 S N -0.603 115.119 115.700 0.037 0.000 2.617 651 S HA 0.530 5.000 4.470 -0.000 0.000 0.269 651 S C 1.274 175.968 174.600 0.157 0.000 1.292 651 S CA 0.906 59.127 58.200 0.035 0.000 1.010 651 S CB 1.468 64.684 63.200 0.027 0.000 0.944 651 S HN 0.804 nan 8.310 nan 0.000 0.536 652 T N 1.221 115.847 114.554 0.120 0.000 2.746 652 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 652 T C 1.597 176.350 174.700 0.089 0.000 1.039 652 T CA 1.927 64.109 62.100 0.136 0.000 1.142 652 T CB -0.465 68.534 68.868 0.217 0.000 0.866 652 T HN 0.764 nan 8.240 nan 0.000 0.444 653 E N 0.455 120.704 120.200 0.081 0.000 2.152 653 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 653 E C 2.102 178.717 176.600 0.025 0.000 0.983 653 E CA 0.456 56.887 56.400 0.051 0.000 0.818 653 E CB -0.277 29.452 29.700 0.048 0.000 0.758 653 E HN 0.267 nan 8.360 nan 0.000 0.467 654 V N -0.336 119.594 119.914 0.028 0.000 2.453 654 V HA -0.087 4.033 4.120 -0.000 0.000 0.247 654 V C 2.236 178.139 176.094 -0.318 0.000 1.048 654 V CA 1.624 63.888 62.300 -0.060 0.000 1.049 654 V CB -0.901 30.955 31.823 0.056 0.000 0.672 654 V HN 0.418 nan 8.190 nan 0.000 0.457 655 G N 0.261 108.904 108.800 -0.263 0.000 2.446 655 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 655 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 655 G C 1.654 176.420 174.900 -0.222 0.000 1.168 655 G CA 1.006 45.890 45.100 -0.360 0.000 0.771 655 G HN 0.477 nan 8.290 nan 0.000 0.551 656 K N -0.628 119.720 120.400 -0.086 0.000 2.057 656 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 656 K C 2.260 178.834 176.600 -0.043 0.000 1.049 656 K CA 1.394 57.658 56.287 -0.038 0.000 0.931 656 K CB -0.277 32.227 32.500 0.007 0.000 0.714 656 K HN 0.480 nan 8.250 nan 0.000 0.440 657 H N 1.040 120.033 119.070 -0.128 0.000 2.357 657 H HA 0.008 4.563 4.556 -0.000 0.000 0.301 657 H C 1.861 177.102 175.328 -0.146 0.000 1.082 657 H CA 1.356 57.335 56.048 -0.115 0.000 1.342 657 H CB 0.083 29.783 29.762 -0.104 0.000 1.389 657 H HN 0.034 nan 8.280 nan 0.000 0.511 658 I N 0.154 120.590 120.570 -0.222 0.000 2.163 658 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 658 I C 2.562 178.558 176.117 -0.202 0.000 1.085 658 I CA 1.786 62.922 61.300 -0.274 0.000 1.347 658 I CB -0.718 36.998 38.000 -0.474 0.000 1.044 658 I HN 0.467 nan 8.210 nan 0.000 0.408 659 M N 0.883 120.388 119.600 -0.158 0.000 2.117 659 M HA -0.272 4.207 4.480 -0.000 0.000 0.262 659 M C 2.376 178.627 176.300 -0.082 0.000 1.065 659 M CA 1.865 57.125 55.300 -0.066 0.000 1.114 659 M CB -0.167 32.437 32.600 0.006 0.000 1.361 659 M HN 0.057 nan 8.290 nan 0.000 0.408 660 K N -0.446 119.876 120.400 -0.129 0.000 2.057 660 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 660 K C 1.690 178.186 176.600 -0.174 0.000 1.049 660 K CA 2.032 58.234 56.287 -0.142 0.000 0.931 660 K CB -0.087 32.311 32.500 -0.169 0.000 0.714 660 K HN 0.332 nan 8.250 nan 0.000 0.440 661 S N 0.360 115.905 115.700 -0.258 0.000 2.383 661 S HA -0.138 4.332 4.470 -0.000 0.000 0.227 661 S C 2.132 176.665 174.600 -0.112 0.000 1.026 661 S CA 1.144 59.219 58.200 -0.210 0.000 0.981 661 S CB -0.385 62.662 63.200 -0.255 0.000 0.818 661 S HN 0.441 nan 8.310 nan 0.000 0.472 662 C N 1.866 121.111 119.300 -0.091 0.000 2.429 662 C HA -0.016 4.444 4.460 -0.000 0.000 0.277 662 C C 3.076 178.040 174.990 -0.042 0.000 1.262 662 C CA 0.510 59.499 59.018 -0.049 0.000 1.733 662 C CB -1.544 26.177 27.740 -0.030 0.000 2.010 662 C HN 0.680 nan 8.230 nan 0.000 0.483 663 A N 0.510 123.300 122.820 -0.049 0.000 1.865 663 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 663 A C 2.066 179.625 177.584 -0.042 0.000 1.191 663 A CA 1.664 53.676 52.037 -0.042 0.000 0.623 663 A CB -0.702 18.272 19.000 -0.043 0.000 0.826 663 A HN 0.622 nan 8.150 nan 0.000 0.444 664 L N 0.338 121.529 121.223 -0.054 0.000 2.376 664 L HA -0.096 4.244 4.340 -0.000 0.000 0.219 664 L C 2.749 179.595 176.870 -0.039 0.000 1.133 664 L CA 1.034 55.846 54.840 -0.047 0.000 0.816 664 L CB -0.406 41.619 42.059 -0.057 0.000 0.933 664 L HN 0.651 nan 8.230 nan 0.000 0.449 665 S N 0.964 116.641 115.700 -0.038 0.000 2.289 665 S HA -0.024 4.446 4.470 -0.000 0.000 0.193 665 S C 1.127 175.714 174.600 -0.021 0.000 1.002 665 S CA 0.637 58.820 58.200 -0.029 0.000 0.951 665 S CB -0.286 62.900 63.200 -0.023 0.000 0.920 665 S HN 0.494 nan 8.310 nan 0.000 0.502 666 N N 0.770 119.461 118.700 -0.015 0.000 2.466 666 N HA 0.151 4.890 4.740 -0.000 0.000 0.272 666 N C 0.102 175.605 175.510 -0.012 0.000 1.455 666 N CA 0.141 53.185 53.050 -0.010 0.000 0.875 666 N CB -0.184 38.304 38.487 0.001 0.000 1.372 666 N HN 0.848 nan 8.380 nan 0.000 0.492 667 V N -1.297 118.606 119.914 -0.019 0.000 5.257 667 V HA -0.366 3.753 4.120 -0.000 0.000 0.265 667 V C 0.390 176.472 176.094 -0.020 0.000 0.646 667 V CA 1.183 63.469 62.300 -0.022 0.000 0.650 667 V CB -2.731 29.076 31.823 -0.026 0.000 0.424 667 V HN 0.690 nan 8.190 nan 0.000 0.862 668 K N -0.041 120.350 120.400 -0.015 0.000 2.414 668 K HA 0.417 4.737 4.320 -0.000 0.000 0.272 668 K C 0.251 176.842 176.600 -0.015 0.000 0.993 668 K CA -0.547 55.733 56.287 -0.012 0.000 0.964 668 K CB 0.708 33.206 32.500 -0.003 0.000 0.925 668 K HN 0.548 nan 8.250 nan 0.000 0.487 669 K N 0.848 121.234 120.400 -0.022 0.000 2.319 669 K HA 0.186 4.506 4.320 -0.000 0.000 0.265 669 K C -0.557 176.041 176.600 -0.003 0.000 1.000 669 K CA -0.423 55.847 56.287 -0.028 0.000 0.943 669 K CB 1.145 33.611 32.500 -0.056 0.000 0.950 669 K HN 0.392 nan 8.250 nan 0.000 0.485 670 V N 1.237 121.176 119.914 0.041 0.000 2.932 670 V HA 0.453 4.573 4.120 -0.000 0.000 0.307 670 V C -1.477 174.741 176.094 0.208 0.000 1.147 670 V CA -0.397 61.964 62.300 0.102 0.000 0.951 670 V CB 2.256 34.151 31.823 0.120 0.000 1.031 670 V HN 0.968 nan 8.190 nan 0.000 0.426 671 S N 6.536 122.314 115.700 0.130 0.000 2.548 671 S HA 0.880 5.349 4.470 -0.000 0.000 0.286 671 S C -1.313 173.296 174.600 0.014 0.000 1.098 671 S CA -0.804 57.474 58.200 0.130 0.000 0.930 671 S CB 1.842 65.067 63.200 0.041 0.000 1.070 671 S HN 0.764 nan 8.310 nan 0.000 0.480 672 L N 1.830 122.940 121.223 -0.189 0.000 2.439 672 L HA 0.578 4.918 4.340 -0.000 0.000 0.270 672 L C -0.601 176.163 176.870 -0.176 0.000 0.972 672 L CA -0.368 54.369 54.840 -0.172 0.000 0.836 672 L CB 1.971 43.756 42.059 -0.456 0.000 1.255 672 L HN 0.747 nan 8.230 nan 0.000 0.404 673 E N 4.737 124.890 120.200 -0.079 0.000 2.145 673 E HA 0.340 4.690 4.350 -0.000 0.000 0.262 673 E C -0.666 175.876 176.600 -0.097 0.000 0.883 673 E CA -0.358 55.973 56.400 -0.116 0.000 0.748 673 E CB 1.542 31.198 29.700 -0.074 0.000 1.140 673 E HN 0.641 nan 8.360 nan 0.000 0.417 674 L N 3.693 124.873 121.223 -0.071 0.000 3.110 674 L HA 0.339 4.679 4.340 -0.000 0.000 0.266 674 L C 0.964 177.780 176.870 -0.090 0.000 1.257 674 L CA -0.074 54.751 54.840 -0.025 0.000 1.038 674 L CB 0.142 42.233 42.059 0.053 0.000 1.395 674 L HN 0.755 nan 8.230 nan 0.000 0.566 675 G N 0.270 108.995 108.800 -0.126 0.000 2.806 675 G HA2 0.047 4.007 3.960 -0.000 0.000 0.236 675 G HA3 0.047 4.007 3.960 -0.000 0.000 0.236 675 G C -0.083 174.607 174.900 -0.350 0.000 1.387 675 G CA -0.375 44.608 45.100 -0.195 0.000 0.884 675 G HN 0.634 nan 8.290 nan 0.000 0.560 676 G N -1.713 106.769 108.800 -0.531 0.000 2.554 676 G HA2 0.703 4.663 3.960 -0.000 0.000 0.306 676 G HA3 0.703 4.663 3.960 -0.000 0.000 0.306 676 G C -1.274 173.298 174.900 -0.546 0.000 1.320 676 G CA 0.398 45.088 45.100 -0.684 0.000 0.800 676 G HN 1.234 nan 8.290 nan 0.000 0.481 677 K N 0.792 121.102 120.400 -0.150 0.000 2.827 677 K HA 0.544 4.864 4.320 -0.000 0.000 0.186 677 K C -0.446 176.227 176.600 0.123 0.000 1.093 677 K CA -0.355 55.962 56.287 0.050 0.000 0.993 677 K CB 0.416 33.069 32.500 0.255 0.000 1.199 677 K HN 0.388 nan 8.250 nan 0.000 0.598 678 S N 4.768 120.527 115.700 0.099 0.000 2.481 678 S HA 0.315 4.785 4.470 -0.000 0.000 0.276 678 S C -2.383 172.307 174.600 0.150 0.000 1.247 678 S CA -0.959 57.327 58.200 0.142 0.000 1.053 678 S CB 0.562 63.880 63.200 0.197 0.000 0.925 678 S HN 0.436 nan 8.310 nan 0.000 0.491 679 P HA 0.349 nan 4.420 nan 0.000 0.285 679 P C -1.042 176.348 177.300 0.150 0.000 1.259 679 P CA -0.742 62.486 63.100 0.213 0.000 0.794 679 P CB 0.884 32.738 31.700 0.257 0.000 0.940 680 L N 4.699 125.970 121.223 0.080 0.000 2.325 680 L HA 0.509 4.849 4.340 -0.000 0.000 0.281 680 L C -0.897 175.926 176.870 -0.077 0.000 1.004 680 L CA -0.659 54.138 54.840 -0.070 0.000 0.823 680 L CB 0.808 42.703 42.059 -0.274 0.000 1.236 680 L HN 0.233 nan 8.230 nan 0.000 0.415 681 I N 6.602 127.084 120.570 -0.147 0.000 2.330 681 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 681 I C -0.520 175.453 176.117 -0.240 0.000 1.001 681 I CA -0.337 60.845 61.300 -0.197 0.000 1.193 681 I CB 1.250 39.039 38.000 -0.351 0.000 1.345 681 I HN 0.499 nan 8.210 nan 0.000 0.461 682 I N 6.571 127.043 120.570 -0.162 0.000 2.359 682 I HA 0.328 4.498 4.170 -0.000 0.000 0.284 682 I C -0.446 175.679 176.117 0.014 0.000 1.018 682 I CA -0.395 60.868 61.300 -0.060 0.000 1.173 682 I CB 0.660 38.556 38.000 -0.174 0.000 1.326 682 I HN 0.337 nan 8.210 nan 0.000 0.462 683 F N 3.229 123.332 119.950 0.255 0.000 2.370 683 F HA 0.351 4.877 4.527 -0.000 0.000 0.324 683 F C 1.563 177.444 175.800 0.135 0.000 1.116 683 F CA -0.114 58.030 58.000 0.240 0.000 1.123 683 F CB 1.232 40.372 39.000 0.234 0.000 1.238 683 F HN 0.514 nan 8.300 nan 0.000 0.536 684 A N 0.726 123.714 122.820 0.281 0.000 2.019 684 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 684 A C 1.436 179.121 177.584 0.169 0.000 1.164 684 A CA 1.594 53.727 52.037 0.161 0.000 0.644 684 A CB -0.918 18.142 19.000 0.099 0.000 0.805 684 A HN 0.766 nan 8.150 nan 0.000 0.449 685 D N -0.333 120.187 120.400 0.201 0.000 2.352 685 D HA 0.077 4.717 4.640 -0.000 0.000 0.236 685 D C 0.754 177.148 176.300 0.156 0.000 1.148 685 D CA 0.180 54.267 54.000 0.145 0.000 0.844 685 D CB -1.648 39.213 40.800 0.101 0.000 0.933 685 D HN 0.514 nan 8.370 nan 0.000 0.507 686 C N -1.091 118.329 119.300 0.200 0.000 2.396 686 C HA 0.485 4.945 4.460 -0.000 0.000 0.359 686 C C 0.624 175.690 174.990 0.127 0.000 1.307 686 C CA -1.213 57.919 59.018 0.190 0.000 2.392 686 C CB 0.949 28.855 27.740 0.276 0.000 2.245 686 C HN 0.249 nan 8.230 nan 0.000 0.615 687 D N 0.677 121.128 120.400 0.086 0.000 2.338 687 D HA 0.087 4.727 4.640 -0.000 0.000 0.255 687 D C 0.675 177.017 176.300 0.070 0.000 1.237 687 D CA -0.131 53.902 54.000 0.056 0.000 0.883 687 D CB 0.673 41.484 40.800 0.017 0.000 1.087 687 D HN 0.650 nan 8.370 nan 0.000 0.485 688 L N 5.696 126.976 121.223 0.094 0.000 2.056 688 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 688 L C 1.684 178.622 176.870 0.113 0.000 1.078 688 L CA 1.480 56.404 54.840 0.139 0.000 0.749 688 L CB -0.495 41.646 42.059 0.137 0.000 0.901 688 L HN 0.377 nan 8.230 nan 0.000 0.433 689 N N -0.103 118.632 118.700 0.057 0.000 2.120 689 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 689 N C 1.859 177.376 175.510 0.012 0.000 1.024 689 N CA 1.236 54.301 53.050 0.026 0.000 0.852 689 N CB -0.159 38.334 38.487 0.011 0.000 1.003 689 N HN 0.267 nan 8.380 nan 0.000 0.424 690 K N 1.088 121.482 120.400 -0.010 0.000 2.063 690 K HA -0.006 4.314 4.320 -0.000 0.000 0.208 690 K C 1.966 178.495 176.600 -0.120 0.000 1.048 690 K CA 1.271 57.517 56.287 -0.069 0.000 0.928 690 K CB -0.377 32.062 32.500 -0.101 0.000 0.713 690 K HN 0.173 nan 8.250 nan 0.000 0.442 691 A N 0.180 122.973 122.820 -0.045 0.000 1.933 691 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 691 A C 2.275 180.092 177.584 0.390 0.000 1.175 691 A CA 1.607 53.706 52.037 0.104 0.000 0.628 691 A CB -0.612 18.622 19.000 0.390 0.000 0.814 691 A HN 0.089 nan 8.150 nan 0.000 0.444 692 V N 0.022 120.077 119.914 0.235 0.000 2.307 692 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 692 V C 2.762 178.895 176.094 0.065 0.000 1.045 692 V CA 1.984 64.310 62.300 0.044 0.000 1.024 692 V CB -0.765 30.979 31.823 -0.131 0.000 0.651 692 V HN 0.545 nan 8.190 nan 0.000 0.449 693 Q N -0.808 119.016 119.800 0.041 0.000 2.020 693 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 693 Q C 2.236 178.279 176.000 0.072 0.000 0.982 693 Q CA 1.451 57.280 55.803 0.043 0.000 0.838 693 Q CB -0.626 28.119 28.738 0.012 0.000 0.899 693 Q HN 0.428 nan 8.270 nan 0.000 0.423 694 M N -0.021 119.598 119.600 0.031 0.000 2.159 694 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 694 M C 2.193 178.642 176.300 0.250 0.000 1.063 694 M CA 1.571 56.916 55.300 0.075 0.000 1.110 694 M CB -1.685 30.821 32.600 -0.157 0.000 1.374 694 M HN 0.325 nan 8.290 nan 0.000 0.411 695 G N -0.114 108.910 108.800 0.374 0.000 2.418 695 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 695 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 695 G C 1.584 176.563 174.900 0.132 0.000 1.158 695 G CA 0.615 45.929 45.100 0.357 0.000 0.771 695 G HN 0.292 nan 8.290 nan 0.000 0.545 696 M N 1.038 120.729 119.600 0.151 0.000 2.086 696 M HA -0.060 4.420 4.480 -0.000 0.000 0.261 696 M C 2.809 179.202 176.300 0.154 0.000 1.067 696 M CA 1.522 56.935 55.300 0.188 0.000 1.116 696 M CB -1.234 31.525 32.600 0.264 0.000 1.348 696 M HN 0.356 nan 8.290 nan 0.000 0.407 697 S N 0.876 116.669 115.700 0.156 0.000 2.359 697 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 697 S C 2.107 176.758 174.600 0.084 0.000 1.035 697 S CA 2.293 60.596 58.200 0.172 0.000 1.018 697 S CB -0.338 62.940 63.200 0.131 0.000 0.876 697 S HN 0.644 nan 8.310 nan 0.000 0.448 698 S N 0.124 115.782 115.700 -0.070 0.000 2.419 698 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 698 S C 1.674 176.121 174.600 -0.254 0.000 1.019 698 S CA 1.445 59.440 58.200 -0.342 0.000 0.982 698 S CB -0.526 62.109 63.200 -0.943 0.000 0.789 698 S HN 0.393 nan 8.310 nan 0.000 0.490 699 V N -0.579 119.158 119.914 -0.296 0.000 2.690 699 V HA 0.267 4.386 4.120 -0.000 0.000 0.240 699 V C 1.668 177.596 176.094 -0.276 0.000 1.078 699 V CA 0.865 62.908 62.300 -0.428 0.000 1.102 699 V CB -0.606 30.710 31.823 -0.846 0.000 0.800 699 V HN 0.483 nan 8.190 nan 0.000 0.479 700 F N -0.988 119.033 119.950 0.120 0.000 2.749 700 F HA 0.349 4.876 4.527 -0.000 0.000 0.300 700 F C 0.833 176.740 175.800 0.177 0.000 1.103 700 F CA -1.324 56.760 58.000 0.140 0.000 1.342 700 F CB -0.492 38.572 39.000 0.107 0.000 1.098 700 F HN 0.029 nan 8.300 nan 0.000 0.586 701 F N 2.426 122.480 119.950 0.173 0.000 2.608 701 F HA 0.041 4.568 4.527 -0.000 0.000 0.380 701 F C 1.234 177.097 175.800 0.105 0.000 1.083 701 F CA -0.168 57.917 58.000 0.141 0.000 1.266 701 F CB 0.011 39.078 39.000 0.112 0.000 1.076 701 F HN 0.161 nan 8.300 nan 0.000 0.574 702 N N 4.218 122.587 118.700 -0.553 0.000 2.725 702 N HA -0.302 4.438 4.740 -0.000 0.000 0.251 702 N C 0.106 175.511 175.510 -0.174 0.000 1.031 702 N CA 1.242 54.060 53.050 -0.385 0.000 0.720 702 N CB -0.559 37.681 38.487 -0.412 0.000 0.930 702 N HN 0.738 nan 8.380 nan 0.000 0.543 703 K N -2.495 117.878 120.400 -0.044 0.000 3.012 703 K HA -0.245 4.075 4.320 -0.000 0.000 0.259 703 K C 0.931 177.592 176.600 0.101 0.000 0.989 703 K CA 1.796 58.126 56.287 0.072 0.000 0.728 703 K CB -2.464 29.949 32.500 -0.146 0.000 1.260 703 K HN 1.389 nan 8.250 nan 0.000 0.480 704 G N -0.206 108.642 108.800 0.081 0.000 2.196 704 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.268 704 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.268 704 G C -0.027 174.704 174.900 -0.283 0.000 0.975 704 G CA 0.816 45.904 45.100 -0.020 0.000 0.648 704 G HN 0.653 nan 8.290 nan 0.000 0.538 705 E N 0.795 120.765 120.200 -0.383 0.000 1.979 705 E HA 0.289 4.639 4.350 -0.000 0.000 0.285 705 E C 0.091 176.107 176.600 -0.974 0.000 1.188 705 E CA -0.194 55.693 56.400 -0.856 0.000 1.214 705 E CB -0.017 29.483 29.700 -0.333 0.000 1.210 705 E HN 0.489 nan 8.360 nan 0.000 0.477 706 N N 1.653 119.774 118.700 -0.964 0.000 2.549 706 N HA 0.046 4.785 4.740 -0.000 0.000 0.290 706 N C 0.569 176.038 175.510 -0.068 0.000 1.122 706 N CA -0.583 52.327 53.050 -0.233 0.000 0.885 706 N CB 0.854 39.387 38.487 0.077 0.000 1.455 706 N HN 0.248 nan 8.380 nan 0.000 0.521 707 C N 2.527 121.951 119.300 0.206 0.000 2.403 707 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 707 C C 2.187 177.356 174.990 0.298 0.000 1.248 707 C CA 0.268 59.513 59.018 0.377 0.000 1.762 707 C CB -1.651 26.312 27.740 0.370 0.000 2.014 707 C HN 0.831 nan 8.230 nan 0.000 0.486 708 I N 0.123 120.861 120.570 0.280 0.000 3.812 708 I HA 0.423 4.593 4.170 -0.000 0.000 0.320 708 I C 1.155 177.497 176.117 0.374 0.000 1.276 708 I CA -0.237 61.256 61.300 0.323 0.000 1.164 708 I CB -0.622 37.581 38.000 0.339 0.000 1.009 708 I HN 0.109 nan 8.210 nan 0.000 0.431 709 A N 2.106 125.077 122.820 0.250 0.000 2.587 709 A HA 0.442 4.761 4.320 -0.000 0.000 0.233 709 A C 0.863 178.522 177.584 0.125 0.000 1.049 709 A CA 0.408 52.544 52.037 0.165 0.000 0.754 709 A CB -0.093 18.925 19.000 0.029 0.000 0.977 709 A HN 0.655 nan 8.150 nan 0.000 0.509 710 A N 2.348 125.125 122.820 -0.071 0.000 2.444 710 A HA 0.471 4.791 4.320 -0.000 0.000 0.273 710 A C 1.332 178.872 177.584 -0.074 0.000 1.136 710 A CA 0.220 52.188 52.037 -0.115 0.000 0.799 710 A CB -0.269 18.488 19.000 -0.405 0.000 1.081 710 A HN 1.621 nan 8.150 nan 0.000 0.509 711 G N 2.292 111.089 108.800 -0.004 0.000 2.939 711 G HA2 0.247 4.207 3.960 -0.000 0.000 0.210 711 G HA3 0.247 4.207 3.960 -0.000 0.000 0.210 711 G C 0.655 175.543 174.900 -0.020 0.000 1.160 711 G CA -0.117 44.983 45.100 0.000 0.000 0.770 711 G HN 0.687 nan 8.290 nan 0.000 0.543 712 R N -0.587 119.877 120.500 -0.059 0.000 2.535 712 R HA 0.424 4.764 4.340 -0.000 0.000 0.274 712 R C -1.952 174.214 176.300 -0.223 0.000 1.090 712 R CA -0.759 55.228 56.100 -0.187 0.000 0.930 712 R CB 1.909 32.044 30.300 -0.275 0.000 1.223 712 R HN -0.029 nan 8.270 nan 0.000 0.441 713 L N 3.484 124.541 121.223 -0.277 0.000 2.296 713 L HA 0.494 4.834 4.340 -0.000 0.000 0.286 713 L C -0.839 175.833 176.870 -0.330 0.000 1.023 713 L CA -0.087 54.613 54.840 -0.234 0.000 0.812 713 L CB 0.804 42.756 42.059 -0.178 0.000 1.223 713 L HN 0.446 nan 8.230 nan 0.000 0.421 714 F N 3.165 123.072 119.950 -0.072 0.000 2.388 714 F HA 0.571 5.098 4.527 -0.000 0.000 0.358 714 F C 0.027 175.903 175.800 0.126 0.000 1.122 714 F CA -0.787 57.250 58.000 0.062 0.000 1.056 714 F CB 1.407 40.384 39.000 -0.038 0.000 1.155 714 F HN 0.037 nan 8.300 nan 0.000 0.461 715 V N 2.773 122.814 119.914 0.211 0.000 2.495 715 V HA 0.261 4.381 4.120 -0.000 0.000 0.298 715 V C -0.011 175.872 176.094 -0.351 0.000 1.031 715 V CA -1.203 61.055 62.300 -0.070 0.000 0.871 715 V CB 1.662 33.350 31.823 -0.225 0.000 0.988 715 V HN 0.676 nan 8.190 nan 0.000 0.432 716 E N 2.728 122.520 120.200 -0.679 0.000 2.384 716 E HA 0.016 4.366 4.350 -0.000 0.000 0.266 716 E C 0.973 177.308 176.600 -0.442 0.000 1.012 716 E CA -0.099 55.639 56.400 -1.103 0.000 0.901 716 E CB 0.672 29.963 29.700 -0.681 0.000 0.967 716 E HN 0.715 nan 8.360 nan 0.000 0.435 717 E N 2.066 122.029 120.200 -0.396 0.000 2.130 717 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 717 E C 1.689 178.257 176.600 -0.054 0.000 0.998 717 E CA 1.712 58.012 56.400 -0.166 0.000 0.806 717 E CB -0.041 29.576 29.700 -0.138 0.000 0.738 717 E HN 0.600 nan 8.360 nan 0.000 0.459 718 S N 0.127 115.793 115.700 -0.055 0.000 2.474 718 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 718 S C 1.980 176.602 174.600 0.037 0.000 0.997 718 S CA 1.013 59.214 58.200 0.002 0.000 0.949 718 S CB -0.550 62.654 63.200 0.008 0.000 0.766 718 S HN 0.463 nan 8.310 nan 0.000 0.517 719 I N -3.041 117.553 120.570 0.040 0.000 4.154 719 I HA 0.336 4.506 4.170 -0.000 0.000 0.334 719 I C 2.089 178.286 176.117 0.135 0.000 1.371 719 I CA -0.364 60.988 61.300 0.087 0.000 1.110 719 I CB -0.439 37.617 38.000 0.092 0.000 1.085 719 I HN 0.126 nan 8.210 nan 0.000 0.398 720 H N 3.160 122.242 119.070 0.019 0.000 2.265 720 H HA -0.188 4.368 4.556 -0.000 0.000 0.295 720 H C 1.414 176.820 175.328 0.131 0.000 1.084 720 H CA 2.721 58.801 56.048 0.053 0.000 1.261 720 H CB 0.013 29.772 29.762 -0.006 0.000 1.360 720 H HN 0.366 nan 8.280 nan 0.000 0.487 721 N N 0.852 119.702 118.700 0.250 0.000 2.104 721 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 721 N C 2.188 177.741 175.510 0.073 0.000 1.024 721 N CA 1.177 54.328 53.050 0.169 0.000 0.853 721 N CB -0.652 37.936 38.487 0.168 0.000 1.008 721 N HN 0.571 nan 8.380 nan 0.000 0.424 722 Q N -0.524 119.327 119.800 0.086 0.000 2.124 722 Q HA -0.115 4.224 4.340 -0.000 0.000 0.202 722 Q C 1.913 177.951 176.000 0.063 0.000 0.977 722 Q CA 1.007 56.849 55.803 0.066 0.000 0.850 722 Q CB -0.162 28.622 28.738 0.076 0.000 0.901 722 Q HN 0.362 nan 8.270 nan 0.000 0.429 723 F N -0.018 119.906 119.950 -0.043 0.000 2.075 723 F HA -0.232 4.294 4.527 -0.000 0.000 0.297 723 F C 1.898 177.652 175.800 -0.077 0.000 1.113 723 F CA 1.478 59.448 58.000 -0.050 0.000 1.218 723 F CB -0.259 38.703 39.000 -0.062 0.000 0.984 723 F HN -0.104 nan 8.300 nan 0.000 0.472 724 V N 0.562 120.459 119.914 -0.029 0.000 2.295 724 V HA -0.347 3.773 4.120 -0.000 0.000 0.246 724 V C 2.304 178.326 176.094 -0.121 0.000 1.049 724 V CA 2.306 64.545 62.300 -0.102 0.000 1.024 724 V CB -0.962 30.804 31.823 -0.095 0.000 0.648 724 V HN 0.420 nan 8.190 nan 0.000 0.447 725 Q N -0.137 119.617 119.800 -0.077 0.000 2.061 725 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 725 Q C 2.370 178.310 176.000 -0.100 0.000 0.984 725 Q CA 1.823 57.588 55.803 -0.063 0.000 0.846 725 Q CB -0.250 28.471 28.738 -0.028 0.000 0.902 725 Q HN 0.594 nan 8.270 nan 0.000 0.421 726 K N -0.124 120.194 120.400 -0.137 0.000 2.148 726 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 726 K C 2.044 178.518 176.600 -0.211 0.000 1.050 726 K CA 0.940 57.133 56.287 -0.158 0.000 0.942 726 K CB 0.031 32.437 32.500 -0.157 0.000 0.724 726 K HN 0.017 nan 8.250 nan 0.000 0.446 727 V N 0.744 120.467 119.914 -0.318 0.000 2.307 727 V HA -0.214 3.905 4.120 -0.000 0.000 0.245 727 V C 2.179 178.195 176.094 -0.130 0.000 1.045 727 V CA 1.419 63.559 62.300 -0.268 0.000 1.024 727 V CB -0.173 31.435 31.823 -0.358 0.000 0.651 727 V HN 0.074 nan 8.190 nan 0.000 0.449 728 V N -0.012 119.833 119.914 -0.114 0.000 2.332 728 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 728 V C 2.391 178.430 176.094 -0.092 0.000 1.055 728 V CA 2.225 64.472 62.300 -0.089 0.000 1.038 728 V CB -0.730 31.050 31.823 -0.071 0.000 0.651 728 V HN 0.639 nan 8.190 nan 0.000 0.450 729 E N -0.357 119.791 120.200 -0.087 0.000 2.058 729 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 729 E C 2.328 178.880 176.600 -0.080 0.000 0.997 729 E CA 1.411 57.765 56.400 -0.076 0.000 0.801 729 E CB -0.170 29.490 29.700 -0.066 0.000 0.746 729 E HN 0.539 nan 8.360 nan 0.000 0.450 730 E N 0.398 120.547 120.200 -0.085 0.000 2.106 730 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 730 E C 2.315 178.852 176.600 -0.105 0.000 0.984 730 E CA 0.558 56.913 56.400 -0.076 0.000 0.806 730 E CB -0.282 29.383 29.700 -0.057 0.000 0.750 730 E HN 0.116 nan 8.360 nan 0.000 0.458 731 V N 1.444 121.276 119.914 -0.138 0.000 2.407 731 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 731 V C 2.076 178.046 176.094 -0.207 0.000 1.055 731 V CA 1.804 63.962 62.300 -0.236 0.000 1.049 731 V CB -0.448 31.225 31.823 -0.250 0.000 0.662 731 V HN 0.258 nan 8.190 nan 0.000 0.455 732 E N -0.251 119.862 120.200 -0.146 0.000 2.265 732 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 732 E C 2.006 178.544 176.600 -0.104 0.000 0.996 732 E CA 0.802 57.129 56.400 -0.121 0.000 0.832 732 E CB -0.066 29.577 29.700 -0.095 0.000 0.756 732 E HN 0.579 nan 8.360 nan 0.000 0.491 733 K N -0.058 120.284 120.400 -0.096 0.000 2.459 733 K HA 0.099 4.418 4.320 -0.000 0.000 0.193 733 K C 0.284 176.841 176.600 -0.072 0.000 1.030 733 K CA 0.077 56.321 56.287 -0.072 0.000 1.026 733 K CB 0.186 32.653 32.500 -0.054 0.000 0.809 733 K HN 0.100 nan 8.250 nan 0.000 0.504 734 M N 1.749 121.286 119.600 -0.105 0.000 2.217 734 M HA 0.048 4.528 4.480 -0.000 0.000 0.352 734 M C 0.205 176.468 176.300 -0.063 0.000 1.376 734 M CA 0.164 55.407 55.300 -0.095 0.000 1.107 734 M CB 0.572 33.063 32.600 -0.181 0.000 1.723 734 M HN -0.263 nan 8.290 nan 0.000 0.461 735 K N 5.326 125.715 120.400 -0.018 0.000 2.267 735 K HA 0.423 4.742 4.320 -0.000 0.000 0.282 735 K C -0.997 175.626 176.600 0.039 0.000 1.078 735 K CA -0.163 56.120 56.287 -0.007 0.000 0.903 735 K CB 0.264 32.762 32.500 -0.004 0.000 1.111 735 K HN 0.683 nan 8.250 nan 0.000 0.475 736 I N 3.109 123.694 120.570 0.024 0.000 2.342 736 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 736 I C 0.924 177.024 176.117 -0.028 0.000 1.010 736 I CA -0.141 61.211 61.300 0.087 0.000 1.308 736 I CB 1.466 39.511 38.000 0.075 0.000 1.400 736 I HN 0.710 nan 8.210 nan 0.000 0.488 737 G N 5.141 113.978 108.800 0.062 0.000 2.428 737 G HA2 0.025 3.985 3.960 -0.000 0.000 0.305 737 G HA3 0.025 3.985 3.960 -0.000 0.000 0.305 737 G C -1.375 173.653 174.900 0.213 0.000 1.260 737 G CA -0.737 44.350 45.100 -0.022 0.000 0.853 737 G HN 0.477 nan 8.290 nan 0.000 0.480 738 N N 1.768 120.541 118.700 0.120 0.000 2.411 738 N HA 0.126 4.866 4.740 -0.000 0.000 0.265 738 N C -0.893 174.674 175.510 0.096 0.000 1.266 738 N CA -1.089 52.044 53.050 0.138 0.000 0.889 738 N CB 1.687 40.205 38.487 0.052 0.000 1.069 738 N HN 0.106 nan 8.380 nan 0.000 0.476 739 P HA -0.134 nan 4.420 nan 0.000 0.221 739 P C 1.379 178.716 177.300 0.062 0.000 1.145 739 P CA 1.052 64.180 63.100 0.046 0.000 0.795 739 P CB 0.347 32.048 31.700 0.001 0.000 0.775 740 L N -0.995 120.245 121.223 0.030 0.000 2.313 740 L HA 0.014 4.353 4.340 -0.000 0.000 0.214 740 L C 1.278 178.129 176.870 -0.031 0.000 1.119 740 L CA 0.618 55.444 54.840 -0.024 0.000 0.809 740 L CB -0.595 41.420 42.059 -0.073 0.000 0.933 740 L HN -0.062 nan 8.230 nan 0.000 0.449 741 E N 0.663 120.864 120.200 0.001 0.000 2.316 741 E HA 0.055 4.404 4.350 -0.000 0.000 0.275 741 E C 0.712 177.326 176.600 0.024 0.000 1.029 741 E CA -0.203 56.197 56.400 -0.002 0.000 0.871 741 E CB 0.997 30.696 29.700 -0.002 0.000 1.022 741 E HN 0.057 nan 8.360 nan 0.000 0.418 742 R N 1.868 122.381 120.500 0.021 0.000 2.189 742 R HA -0.104 4.236 4.340 -0.000 0.000 0.223 742 R C 0.985 177.310 176.300 0.041 0.000 1.092 742 R CA 0.894 57.023 56.100 0.048 0.000 0.989 742 R CB -0.200 30.124 30.300 0.041 0.000 0.876 742 R HN 0.532 nan 8.270 nan 0.000 0.457 743 D N -0.829 119.586 120.400 0.025 0.000 2.348 743 D HA -0.033 4.607 4.640 -0.000 0.000 0.211 743 D C 0.013 176.328 176.300 0.025 0.000 0.998 743 D CA 0.076 54.088 54.000 0.020 0.000 0.873 743 D CB -0.405 40.398 40.800 0.006 0.000 0.925 743 D HN -0.216 nan 8.370 nan 0.000 0.524 744 T N 1.570 116.144 114.554 0.034 0.000 2.902 744 T HA 0.070 4.419 4.350 -0.000 0.000 0.301 744 T C 1.182 175.915 174.700 0.055 0.000 1.012 744 T CA -0.007 62.122 62.100 0.048 0.000 1.151 744 T CB 0.448 69.352 68.868 0.060 0.000 0.946 744 T HN 0.412 nan 8.240 nan 0.000 0.542 745 N N 1.795 120.537 118.700 0.069 0.000 2.143 745 N HA -0.014 4.726 4.740 -0.000 0.000 0.222 745 N C -0.244 175.341 175.510 0.125 0.000 1.264 745 N CA -0.287 52.808 53.050 0.076 0.000 0.897 745 N CB 0.575 39.099 38.487 0.061 0.000 1.092 745 N HN 0.620 nan 8.380 nan 0.000 0.516 746 H N 0.540 119.630 119.070 0.032 0.000 2.906 746 H HA 0.544 5.100 4.556 -0.000 0.000 0.324 746 H C -0.105 175.300 175.328 0.128 0.000 0.973 746 H CA -0.365 55.715 56.048 0.053 0.000 1.321 746 H CB 1.323 31.102 29.762 0.029 0.000 1.535 746 H HN 0.201 nan 8.280 nan 0.000 0.518 747 G N 3.940 112.596 108.800 -0.241 0.000 2.543 747 G HA2 0.368 4.328 3.960 -0.000 0.000 0.290 747 G HA3 0.368 4.328 3.960 -0.000 0.000 0.290 747 G C -2.493 172.139 174.900 -0.446 0.000 1.310 747 G CA -1.683 43.313 45.100 -0.173 0.000 1.025 747 G HN 0.529 nan 8.290 nan 0.000 0.502 748 P HA 0.150 nan 4.420 nan 0.000 0.274 748 P C -0.624 176.421 177.300 -0.426 0.000 1.237 748 P CA -0.405 62.068 63.100 -1.045 0.000 0.793 748 P CB 0.899 31.795 31.700 -1.339 0.000 0.977 749 Q N 1.185 120.844 119.800 -0.234 0.000 2.492 749 Q HA 0.018 4.358 4.340 -0.000 0.000 0.238 749 Q C 1.357 177.310 176.000 -0.079 0.000 1.045 749 Q CA 0.066 55.819 55.803 -0.083 0.000 0.934 749 Q CB -0.028 28.692 28.738 -0.030 0.000 1.276 749 Q HN 0.538 nan 8.270 nan 0.000 0.521 750 N N 0.661 119.304 118.700 -0.096 0.000 2.142 750 N HA -0.128 4.611 4.740 -0.000 0.000 0.186 750 N C 0.024 175.514 175.510 -0.034 0.000 1.023 750 N CA 1.114 54.119 53.050 -0.075 0.000 0.852 750 N CB 0.419 38.825 38.487 -0.136 0.000 0.998 750 N HN 0.705 nan 8.380 nan 0.000 0.424 751 H N -2.716 116.163 119.070 -0.318 0.000 2.948 751 H HA 0.172 4.728 4.556 -0.000 0.000 0.315 751 H C 0.285 175.212 175.328 -0.667 0.000 1.360 751 H CA -0.577 55.218 56.048 -0.421 0.000 1.125 751 H CB 0.977 30.483 29.762 -0.427 0.000 1.844 751 H HN -0.101 nan 8.280 nan 0.000 0.529 752 E N 0.726 120.352 120.200 -0.956 0.000 2.047 752 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 752 E C 2.029 178.326 176.600 -0.506 0.000 0.987 752 E CA 1.321 57.071 56.400 -1.084 0.000 0.799 752 E CB -0.139 28.958 29.700 -1.006 0.000 0.752 752 E HN 0.614 nan 8.360 nan 0.000 0.449 753 A N 0.305 122.946 122.820 -0.298 0.000 1.978 753 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 753 A C 1.953 179.400 177.584 -0.227 0.000 1.170 753 A CA 1.990 53.930 52.037 -0.161 0.000 0.636 753 A CB -0.856 18.141 19.000 -0.005 0.000 0.810 753 A HN 0.464 nan 8.150 nan 0.000 0.448 754 H N -0.467 118.213 119.070 -0.650 0.000 2.333 754 H HA -0.022 4.534 4.556 -0.000 0.000 0.302 754 H C 1.861 176.967 175.328 -0.370 0.000 1.075 754 H CA 1.393 57.094 56.048 -0.577 0.000 1.348 754 H CB -0.230 28.931 29.762 -1.002 0.000 1.393 754 H HN 0.251 nan 8.280 nan 0.000 0.509 755 L N 0.989 121.923 121.223 -0.482 0.000 2.021 755 L HA -0.241 4.099 4.340 -0.000 0.000 0.215 755 L C 2.057 178.798 176.870 -0.215 0.000 1.074 755 L CA 2.016 56.666 54.840 -0.317 0.000 0.760 755 L CB -0.708 41.278 42.059 -0.123 0.000 0.889 755 L HN 0.382 nan 8.230 nan 0.000 0.433 756 R N -0.346 120.052 120.500 -0.169 0.000 2.091 756 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 756 R C 2.351 178.611 176.300 -0.066 0.000 1.136 756 R CA 1.504 57.560 56.100 -0.073 0.000 0.959 756 R CB -0.379 29.886 30.300 -0.059 0.000 0.856 756 R HN 0.341 nan 8.270 nan 0.000 0.437 757 K N 1.634 121.964 120.400 -0.117 0.000 2.032 757 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 757 K C 2.013 178.562 176.600 -0.085 0.000 1.048 757 K CA 1.499 57.753 56.287 -0.055 0.000 0.927 757 K CB -0.274 32.218 32.500 -0.014 0.000 0.712 757 K HN 0.193 nan 8.250 nan 0.000 0.441 758 L N 0.775 121.792 121.223 -0.343 0.000 2.079 758 L HA -0.183 4.156 4.340 -0.000 0.000 0.210 758 L C 2.610 179.415 176.870 -0.109 0.000 1.081 758 L CA 0.867 55.416 54.840 -0.484 0.000 0.752 758 L CB -0.490 40.842 42.059 -1.211 0.000 0.896 758 L HN -0.061 nan 8.230 nan 0.000 0.433 759 V N -0.013 119.942 119.914 0.067 0.000 2.295 759 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 759 V C 2.396 178.621 176.094 0.218 0.000 1.049 759 V CA 1.920 64.399 62.300 0.298 0.000 1.024 759 V CB -0.464 31.498 31.823 0.232 0.000 0.648 759 V HN 0.475 nan 8.190 nan 0.000 0.447 760 E N -1.088 119.196 120.200 0.139 0.000 2.110 760 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 760 E C 2.089 178.769 176.600 0.132 0.000 0.988 760 E CA 1.621 58.084 56.400 0.105 0.000 0.804 760 E CB -0.285 29.453 29.700 0.063 0.000 0.745 760 E HN 0.738 nan 8.360 nan 0.000 0.458 761 Y N 0.930 121.274 120.300 0.073 0.000 2.097 761 Y HA -0.326 4.224 4.550 -0.000 0.000 0.282 761 Y C 2.331 178.334 175.900 0.171 0.000 1.152 761 Y CA 1.624 59.803 58.100 0.132 0.000 1.136 761 Y CB -0.305 38.235 38.460 0.133 0.000 0.975 761 Y HN 0.063 nan 8.280 nan 0.000 0.498 762 C N 0.207 119.783 119.300 0.461 0.000 2.450 762 C HA -0.153 4.307 4.460 -0.000 0.000 0.279 762 C C 2.574 177.766 174.990 0.337 0.000 1.335 762 C CA 0.982 60.319 59.018 0.531 0.000 1.749 762 C CB -1.122 26.990 27.740 0.619 0.000 1.963 762 C HN 0.621 nan 8.230 nan 0.000 0.501 763 Q N 0.466 120.390 119.800 0.207 0.000 2.061 763 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 763 Q C 2.419 178.443 176.000 0.040 0.000 0.984 763 Q CA 1.641 57.514 55.803 0.116 0.000 0.846 763 Q CB -0.267 28.517 28.738 0.075 0.000 0.902 763 Q HN 0.642 nan 8.270 nan 0.000 0.421 764 R N 0.148 120.620 120.500 -0.047 0.000 2.075 764 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 764 R C 2.278 178.483 176.300 -0.159 0.000 1.126 764 R CA 1.423 57.426 56.100 -0.163 0.000 0.963 764 R CB -0.515 29.561 30.300 -0.372 0.000 0.858 764 R HN 0.320 nan 8.270 nan 0.000 0.435 765 G N -0.076 108.607 108.800 -0.195 0.000 2.469 765 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 765 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 765 G C 1.347 176.174 174.900 -0.121 0.000 1.150 765 G CA 1.089 45.972 45.100 -0.362 0.000 0.763 765 G HN 0.244 nan 8.290 nan 0.000 0.561 766 V N 0.801 120.792 119.914 0.127 0.000 2.379 766 V HA -0.104 4.016 4.120 -0.000 0.000 0.245 766 V C 2.644 178.781 176.094 0.071 0.000 1.044 766 V CA 2.132 64.539 62.300 0.178 0.000 1.036 766 V CB -0.373 31.571 31.823 0.201 0.000 0.664 766 V HN 0.466 nan 8.190 nan 0.000 0.453 767 K N 0.958 121.377 120.400 0.030 0.000 2.074 767 K HA -0.273 4.047 4.320 -0.000 0.000 0.209 767 K C 2.064 178.665 176.600 0.002 0.000 1.048 767 K CA 2.234 58.525 56.287 0.007 0.000 0.926 767 K CB -0.197 32.290 32.500 -0.022 0.000 0.713 767 K HN 0.765 nan 8.250 nan 0.000 0.444 768 E N -1.204 118.984 120.200 -0.020 0.000 2.481 768 E HA -0.005 4.345 4.350 -0.000 0.000 0.195 768 E C 0.832 177.442 176.600 0.017 0.000 1.047 768 E CA 0.745 57.144 56.400 -0.003 0.000 0.867 768 E CB 0.334 30.018 29.700 -0.027 0.000 0.858 768 E HN 0.503 nan 8.360 nan 0.000 0.513 769 G N 0.606 109.417 108.800 0.018 0.000 2.175 769 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.182 769 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.182 769 G C 0.264 175.193 174.900 0.048 0.000 1.003 769 G CA -0.199 44.927 45.100 0.043 0.000 0.666 769 G HN 0.603 nan 8.290 nan 0.000 0.506 770 A N 0.415 123.253 122.820 0.029 0.000 2.351 770 A HA 0.746 5.066 4.320 -0.000 0.000 0.257 770 A C 0.858 178.590 177.584 0.246 0.000 1.087 770 A CA 0.980 53.066 52.037 0.083 0.000 0.798 770 A CB 0.550 19.498 19.000 -0.086 0.000 1.033 770 A HN 1.681 nan 8.150 nan 0.000 0.488 771 T N 1.726 116.434 114.554 0.257 0.000 2.728 771 T HA 0.397 4.747 4.350 -0.000 0.000 0.296 771 T C -0.282 174.566 174.700 0.247 0.000 0.940 771 T CA -0.482 61.752 62.100 0.224 0.000 1.013 771 T CB -0.100 68.847 68.868 0.132 0.000 0.912 771 T HN 0.677 nan 8.240 nan 0.000 0.484 772 L N 6.833 128.127 121.223 0.119 0.000 2.407 772 L HA 0.312 4.652 4.340 -0.000 0.000 0.282 772 L C 0.956 177.743 176.870 -0.138 0.000 1.110 772 L CA 0.296 55.001 54.840 -0.226 0.000 0.863 772 L CB 0.249 42.161 42.059 -0.245 0.000 1.207 772 L HN 0.682 nan 8.230 nan 0.000 0.454 773 V N 3.795 123.623 119.914 -0.143 0.000 2.446 773 V HA -0.041 4.079 4.120 -0.000 0.000 0.244 773 V C 0.772 176.804 176.094 -0.105 0.000 1.039 773 V CA 1.202 63.457 62.300 -0.074 0.000 1.045 773 V CB -0.215 31.592 31.823 -0.027 0.000 0.681 773 V HN 0.973 nan 8.190 nan 0.000 0.459 774 C N -2.627 116.581 119.300 -0.153 0.000 3.288 774 C HA 0.867 5.327 4.460 -0.000 0.000 0.318 774 C C 0.586 175.460 174.990 -0.194 0.000 1.356 774 C CA -0.538 58.390 59.018 -0.151 0.000 1.359 774 C CB 0.934 28.599 27.740 -0.124 0.000 1.688 774 C HN 1.147 nan 8.230 nan 0.000 0.467 775 G N 0.522 109.207 108.800 -0.192 0.000 2.539 775 G HA2 0.373 4.332 3.960 -0.000 0.000 0.256 775 G HA3 0.373 4.332 3.960 -0.000 0.000 0.256 775 G C 1.003 175.754 174.900 -0.247 0.000 1.233 775 G CA 1.769 46.728 45.100 -0.235 0.000 0.936 775 G HN 3.220 nan 8.290 nan 0.000 0.571 776 G N -1.363 107.263 108.800 -0.289 0.000 2.179 776 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.220 776 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.220 776 G C 0.141 174.909 174.900 -0.220 0.000 0.990 776 G CA 1.240 46.282 45.100 -0.096 0.000 0.646 776 G HN 2.426 nan 8.290 nan 0.000 0.517 777 N N -0.164 118.140 118.700 -0.660 0.000 2.262 777 N HA 0.454 5.194 4.740 -0.000 0.000 0.295 777 N C -0.409 174.760 175.510 -0.567 0.000 1.161 777 N CA -0.721 52.075 53.050 -0.423 0.000 0.767 777 N CB 1.368 39.736 38.487 -0.197 0.000 1.499 777 N HN 0.305 nan 8.380 nan 0.000 0.476 778 Q N 1.012 120.743 119.800 -0.115 0.000 2.300 778 Q HA 0.109 4.448 4.340 -0.000 0.000 0.280 778 Q C -0.506 175.481 176.000 -0.021 0.000 1.033 778 Q CA -0.364 55.464 55.803 0.041 0.000 0.903 778 Q CB 0.598 29.428 28.738 0.153 0.000 1.195 778 Q HN 0.443 nan 8.270 nan 0.000 0.386 779 V N 7.143 127.071 119.914 0.024 0.000 2.585 779 V HA 0.085 4.204 4.120 -0.000 0.000 0.296 779 V C -1.988 174.106 176.094 0.001 0.000 1.035 779 V CA -1.157 61.139 62.300 -0.008 0.000 1.084 779 V CB 0.582 32.411 31.823 0.010 0.000 0.953 779 V HN 0.849 nan 8.190 nan 0.000 0.483 780 P HA 0.301 nan 4.420 nan 0.000 0.266 780 P C -0.445 176.817 177.300 -0.063 0.000 1.419 780 P CA 0.019 63.098 63.100 -0.035 0.000 1.112 780 P CB -0.035 31.638 31.700 -0.044 0.000 1.438 781 R N 2.021 122.492 120.500 -0.049 0.000 2.765 781 R HA 0.597 4.937 4.340 -0.000 0.000 0.277 781 R C -3.237 173.043 176.300 -0.034 0.000 1.028 781 R CA -1.844 54.204 56.100 -0.087 0.000 0.860 781 R CB -0.669 29.502 30.300 -0.215 0.000 1.270 781 R HN -0.079 nan 8.270 nan 0.000 0.484 782 P HA 0.411 nan 4.420 nan 0.000 0.272 782 P C 0.189 177.479 177.300 -0.016 0.000 1.240 782 P CA 1.022 64.094 63.100 -0.046 0.000 0.791 782 P CB 0.632 32.298 31.700 -0.058 0.000 0.978 783 G N 0.086 108.740 108.800 -0.244 0.000 2.568 783 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.222 783 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.222 783 G C -0.969 173.569 174.900 -0.603 0.000 1.321 783 G CA -0.613 44.137 45.100 -0.584 0.000 0.893 783 G HN 0.338 nan 8.290 nan 0.000 0.569 784 F N 0.255 120.203 119.950 -0.002 0.000 2.542 784 F HA 0.581 5.107 4.527 -0.000 0.000 0.323 784 F C 0.123 175.874 175.800 -0.083 0.000 1.411 784 F CA -1.015 56.971 58.000 -0.023 0.000 1.124 784 F CB 0.261 39.208 39.000 -0.089 0.000 1.331 784 F HN 0.313 nan 8.300 nan 0.000 0.560 785 F N 0.966 121.004 119.950 0.146 0.000 2.384 785 F HA 0.481 5.008 4.527 -0.000 0.000 0.338 785 F C -0.189 175.750 175.800 0.233 0.000 1.103 785 F CA -0.739 57.346 58.000 0.143 0.000 1.157 785 F CB 1.055 40.095 39.000 0.066 0.000 1.167 785 F HN 0.084 nan 8.300 nan 0.000 0.529 786 F N 2.217 122.335 119.950 0.280 0.000 2.540 786 F HA 0.386 4.913 4.527 -0.000 0.000 0.317 786 F C -0.364 175.574 175.800 0.229 0.000 1.104 786 F CA -0.989 57.133 58.000 0.204 0.000 0.913 786 F CB 1.431 40.511 39.000 0.134 0.000 1.170 786 F HN 0.355 nan 8.300 nan 0.000 0.450 787 Q N 6.851 126.428 119.800 -0.372 0.000 2.297 787 Q HA 0.322 4.662 4.340 -0.000 0.000 0.267 787 Q C -2.469 173.399 176.000 -0.220 0.000 1.006 787 Q CA -1.801 53.832 55.803 -0.283 0.000 0.896 787 Q CB 0.983 29.510 28.738 -0.352 0.000 1.186 787 Q HN 0.233 nan 8.270 nan 0.000 0.392 788 P HA -0.049 nan 4.420 nan 0.000 0.258 788 P C -1.209 176.022 177.300 -0.116 0.000 1.172 788 P CA 0.534 63.450 63.100 -0.306 0.000 0.762 788 P CB 0.574 31.801 31.700 -0.788 0.000 0.764 789 T N 2.993 117.647 114.554 0.168 0.000 2.829 789 T HA 0.472 4.822 4.350 -0.000 0.000 0.280 789 T C -0.349 174.459 174.700 0.180 0.000 0.999 789 T CA -0.469 61.699 62.100 0.113 0.000 0.983 789 T CB 1.088 70.090 68.868 0.222 0.000 0.968 789 T HN -0.053 nan 8.240 nan 0.000 0.446 790 V N 3.753 123.671 119.914 0.007 0.000 2.487 790 V HA 0.563 4.683 4.120 -0.000 0.000 0.298 790 V C -1.089 174.952 176.094 -0.088 0.000 1.028 790 V CA -0.848 61.486 62.300 0.057 0.000 0.860 790 V CB 1.199 33.065 31.823 0.072 0.000 0.991 790 V HN 0.782 nan 8.190 nan 0.000 0.427 791 F N 2.739 122.760 119.950 0.117 0.000 2.480 791 F HA 0.745 5.272 4.527 -0.000 0.000 0.329 791 F C 0.763 176.617 175.800 0.089 0.000 1.091 791 F CA -0.277 57.781 58.000 0.097 0.000 0.972 791 F CB 2.393 41.452 39.000 0.098 0.000 1.150 791 F HN 0.618 nan 8.300 nan 0.000 0.467 792 T N -2.359 112.380 114.554 0.308 0.000 2.807 792 T HA 0.375 4.725 4.350 -0.000 0.000 0.277 792 T C -0.563 174.255 174.700 0.196 0.000 1.006 792 T CA -0.819 61.429 62.100 0.248 0.000 1.006 792 T CB 1.465 70.489 68.868 0.261 0.000 1.274 792 T HN 0.560 nan 8.240 nan 0.000 0.569 793 D N -0.569 119.917 120.400 0.142 0.000 2.837 793 D HA -0.119 4.520 4.640 -0.000 0.000 0.230 793 D C -0.224 176.093 176.300 0.029 0.000 1.152 793 D CA 0.388 54.428 54.000 0.068 0.000 0.736 793 D CB -1.803 39.041 40.800 0.072 0.000 1.084 793 D HN 0.492 nan 8.370 nan 0.000 0.429 794 V N 0.851 120.771 119.914 0.009 0.000 2.555 794 V HA 0.083 4.202 4.120 -0.000 0.000 0.286 794 V C 0.942 176.983 176.094 -0.089 0.000 1.044 794 V CA 0.144 62.401 62.300 -0.071 0.000 1.026 794 V CB 1.591 33.358 31.823 -0.093 0.000 0.981 794 V HN -0.006 nan 8.190 nan 0.000 0.480 795 E N 2.908 123.012 120.200 -0.161 0.000 2.212 795 E HA 0.289 4.639 4.350 -0.000 0.000 0.270 795 E C 0.048 176.522 176.600 -0.210 0.000 0.956 795 E CA -0.706 55.599 56.400 -0.158 0.000 0.825 795 E CB 1.582 31.172 29.700 -0.183 0.000 1.167 795 E HN 0.560 nan 8.360 nan 0.000 0.400 796 D N 0.450 120.822 120.400 -0.046 0.000 2.218 796 D HA -0.169 4.471 4.640 -0.000 0.000 0.204 796 D C 1.589 177.888 176.300 -0.002 0.000 0.976 796 D CA 1.430 55.439 54.000 0.015 0.000 0.853 796 D CB -0.226 40.634 40.800 0.100 0.000 0.939 796 D HN 0.587 nan 8.370 nan 0.000 0.481 797 H N -1.170 117.917 119.070 0.028 0.000 2.547 797 H HA 0.174 4.730 4.556 -0.000 0.000 0.272 797 H C 0.756 176.095 175.328 0.019 0.000 0.989 797 H CA -0.076 55.985 56.048 0.022 0.000 1.214 797 H CB -0.384 29.391 29.762 0.021 0.000 1.389 797 H HN 0.000 nan 8.280 nan 0.000 0.577 798 M N 0.863 120.248 119.600 -0.359 0.000 2.238 798 M HA -0.005 4.475 4.480 -0.000 0.000 0.347 798 M C 0.843 177.109 176.300 -0.056 0.000 1.173 798 M CA -0.220 54.957 55.300 -0.205 0.000 1.147 798 M CB 0.516 32.942 32.600 -0.291 0.000 1.547 798 M HN 0.270 nan 8.290 nan 0.000 0.455 799 Y N 3.929 124.154 120.300 -0.126 0.000 2.132 799 Y HA -0.298 4.252 4.550 -0.000 0.000 0.280 799 Y C 1.793 177.593 175.900 -0.166 0.000 1.193 799 Y CA 2.576 60.602 58.100 -0.124 0.000 1.157 799 Y CB -0.149 38.217 38.460 -0.158 0.000 0.966 799 Y HN 0.735 nan 8.280 nan 0.000 0.511 800 I N -1.717 118.759 120.570 -0.157 0.000 3.111 800 I HA 0.114 4.284 4.170 -0.000 0.000 0.272 800 I C 2.017 178.069 176.117 -0.108 0.000 1.268 800 I CA 1.195 62.349 61.300 -0.244 0.000 1.467 800 I CB -0.548 37.218 38.000 -0.390 0.000 1.087 800 I HN 0.186 nan 8.210 nan 0.000 0.467 801 A N 1.335 124.081 122.820 -0.123 0.000 2.169 801 A HA 0.094 4.414 4.320 -0.000 0.000 0.212 801 A C 2.205 179.776 177.584 -0.022 0.000 1.153 801 A CA 0.669 52.660 52.037 -0.076 0.000 0.756 801 A CB -0.172 18.773 19.000 -0.091 0.000 0.813 801 A HN 0.500 nan 8.150 nan 0.000 0.471 802 K N -0.965 119.400 120.400 -0.060 0.000 2.403 802 K HA 0.147 4.466 4.320 -0.000 0.000 0.199 802 K C 0.302 176.918 176.600 0.027 0.000 1.199 802 K CA 0.140 56.418 56.287 -0.016 0.000 0.924 802 K CB 0.515 32.979 32.500 -0.059 0.000 1.137 802 K HN 0.364 nan 8.250 nan 0.000 0.510 803 E N 2.172 122.288 120.200 -0.139 0.000 2.204 803 E HA 0.068 4.418 4.350 -0.000 0.000 0.276 803 E C -1.230 175.429 176.600 0.097 0.000 0.974 803 E CA -0.471 55.875 56.400 -0.089 0.000 0.815 803 E CB 1.349 30.696 29.700 -0.589 0.000 1.119 803 E HN 0.021 nan 8.360 nan 0.000 0.393 804 E N 2.225 122.460 120.200 0.058 0.000 2.259 804 E HA 0.070 4.420 4.350 -0.000 0.000 0.281 804 E C 0.134 176.723 176.600 -0.019 0.000 1.037 804 E CA 0.153 56.546 56.400 -0.012 0.000 0.854 804 E CB 0.756 30.357 29.700 -0.164 0.000 1.051 804 E HN 0.672 nan 8.360 nan 0.000 0.409 805 S N 4.497 120.077 115.700 -0.200 0.000 2.404 805 S HA -0.078 4.392 4.470 -0.000 0.000 0.223 805 S C 0.844 175.441 174.600 -0.005 0.000 1.040 805 S CA 0.153 58.028 58.200 -0.541 0.000 0.957 805 S CB -0.206 62.394 63.200 -1.000 0.000 0.826 805 S HN 0.773 nan 8.310 nan 0.000 0.491 806 F N 1.625 121.508 119.950 -0.111 0.000 3.080 806 F HA -0.014 4.513 4.527 -0.000 0.000 0.292 806 F C 0.462 176.345 175.800 0.139 0.000 0.891 806 F CA 0.517 58.527 58.000 0.017 0.000 1.086 806 F CB -1.156 37.871 39.000 0.045 0.000 1.095 806 F HN 0.614 nan 8.300 nan 0.000 0.633 807 G N -0.473 108.345 108.800 0.030 0.000 2.708 807 G HA2 0.669 4.629 3.960 -0.000 0.000 0.289 807 G HA3 0.669 4.629 3.960 -0.000 0.000 0.289 807 G C -3.121 171.811 174.900 0.055 0.000 1.416 807 G CA -0.856 44.243 45.100 -0.003 0.000 0.829 807 G HN -0.126 nan 8.290 nan 0.000 0.480 808 P HA 0.348 nan 4.420 nan 0.000 0.231 808 P C -0.722 176.850 177.300 0.453 0.000 1.811 808 P CA 0.006 63.355 63.100 0.415 0.000 1.051 808 P CB -0.327 31.739 31.700 0.611 0.000 1.951 809 I N 2.404 123.114 120.570 0.234 0.000 2.466 809 I HA 0.353 4.522 4.170 -0.000 0.000 0.279 809 I C 0.398 176.605 176.117 0.150 0.000 1.033 809 I CA -0.778 60.689 61.300 0.278 0.000 1.123 809 I CB 1.894 40.077 38.000 0.304 0.000 1.237 809 I HN 0.047 nan 8.210 nan 0.000 0.460 810 M N 7.418 127.096 119.600 0.130 0.000 2.143 810 M HA 0.462 4.941 4.480 -0.000 0.000 0.348 810 M C -1.096 175.307 176.300 0.172 0.000 1.375 810 M CA 0.059 55.381 55.300 0.037 0.000 1.124 810 M CB 0.454 33.053 32.600 -0.003 0.000 1.669 810 M HN 0.486 nan 8.290 nan 0.000 0.469 811 I N 7.513 128.147 120.570 0.107 0.000 2.405 811 I HA 0.343 4.513 4.170 -0.000 0.000 0.280 811 I C -0.814 175.301 176.117 -0.003 0.000 1.027 811 I CA -0.342 61.027 61.300 0.114 0.000 1.161 811 I CB 0.784 38.828 38.000 0.074 0.000 1.300 811 I HN 0.639 nan 8.210 nan 0.000 0.463 812 I N 4.791 125.393 120.570 0.054 0.000 2.354 812 I HA 0.418 4.587 4.170 -0.000 0.000 0.292 812 I C 0.006 176.132 176.117 0.015 0.000 0.989 812 I CA -0.166 61.147 61.300 0.022 0.000 1.188 812 I CB 1.672 39.747 38.000 0.125 0.000 1.342 812 I HN 0.437 nan 8.210 nan 0.000 0.457 813 S N 5.295 120.938 115.700 -0.095 0.000 2.566 813 S HA 0.606 5.076 4.470 -0.000 0.000 0.298 813 S C -0.352 174.310 174.600 0.103 0.000 1.083 813 S CA -0.896 57.278 58.200 -0.044 0.000 0.978 813 S CB 2.017 65.102 63.200 -0.191 0.000 1.073 813 S HN 0.490 nan 8.310 nan 0.000 0.491 814 R N 0.774 121.321 120.500 0.079 0.000 2.500 814 R HA 0.647 4.987 4.340 -0.000 0.000 0.277 814 R C -0.898 175.538 176.300 0.227 0.000 1.026 814 R CA -0.460 55.668 56.100 0.046 0.000 1.058 814 R CB 0.643 30.845 30.300 -0.163 0.000 1.078 814 R HN 0.646 nan 8.270 nan 0.000 0.509 815 F N -1.049 118.934 119.950 0.055 0.000 2.588 815 F HA 0.732 5.259 4.527 -0.000 0.000 0.314 815 F C -0.617 175.199 175.800 0.027 0.000 1.069 815 F CA -1.643 56.384 58.000 0.045 0.000 0.931 815 F CB 1.041 40.058 39.000 0.029 0.000 1.260 815 F HN 0.526 nan 8.300 nan 0.000 0.465 816 A N 1.777 124.680 122.820 0.138 0.000 2.462 816 A HA 0.265 4.585 4.320 -0.000 0.000 0.243 816 A C -0.178 177.440 177.584 0.057 0.000 1.076 816 A CA -0.495 51.571 52.037 0.047 0.000 0.773 816 A CB -0.211 18.838 19.000 0.082 0.000 1.010 816 A HN 0.766 nan 8.150 nan 0.000 0.493 817 D N 1.087 121.484 120.400 -0.006 0.000 2.571 817 D HA 0.272 4.911 4.640 -0.000 0.000 0.231 817 D C 1.410 177.784 176.300 0.122 0.000 1.133 817 D CA 2.068 56.092 54.000 0.041 0.000 0.862 817 D CB 0.445 41.259 40.800 0.023 0.000 1.179 817 D HN 1.132 nan 8.370 nan 0.000 0.474 818 G N 2.314 111.227 108.800 0.188 0.000 2.212 818 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.266 818 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.266 818 G C 0.208 175.232 174.900 0.207 0.000 0.978 818 G CA 0.135 45.338 45.100 0.171 0.000 0.632 818 G HN 0.557 nan 8.290 nan 0.000 0.537 819 D N -0.269 120.302 120.400 0.285 0.000 2.382 819 D HA 0.515 5.154 4.640 -0.000 0.000 0.245 819 D C 1.240 177.724 176.300 0.306 0.000 1.120 819 D CA 0.506 54.662 54.000 0.261 0.000 0.890 819 D CB 1.742 42.711 40.800 0.282 0.000 1.201 819 D HN 0.118 nan 8.370 nan 0.000 0.433 820 V N 1.858 121.879 119.914 0.178 0.000 3.279 820 V HA -0.051 4.069 4.120 -0.000 0.000 0.213 820 V C 1.406 177.560 176.094 0.100 0.000 1.335 820 V CA 0.015 62.430 62.300 0.192 0.000 1.317 820 V CB 0.005 31.928 31.823 0.167 0.000 1.209 820 V HN 0.356 nan 8.190 nan 0.000 0.525 821 D N 1.322 121.783 120.400 0.102 0.000 2.178 821 D HA -0.041 4.599 4.640 -0.000 0.000 0.202 821 D C 2.067 178.367 176.300 0.000 0.000 0.974 821 D CA 1.577 55.626 54.000 0.082 0.000 0.841 821 D CB 0.001 40.857 40.800 0.093 0.000 0.953 821 D HN 0.426 nan 8.370 nan 0.000 0.478 822 A N 0.590 123.407 122.820 -0.005 0.000 1.898 822 A HA -0.106 4.213 4.320 -0.000 0.000 0.216 822 A C 2.396 179.902 177.584 -0.130 0.000 1.181 822 A CA 1.112 53.131 52.037 -0.030 0.000 0.620 822 A CB -0.791 18.222 19.000 0.023 0.000 0.819 822 A HN 0.178 nan 8.150 nan 0.000 0.442 823 V N -0.028 119.739 119.914 -0.246 0.000 2.427 823 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 823 V C 2.407 178.159 176.094 -0.570 0.000 1.051 823 V CA 1.918 63.883 62.300 -0.559 0.000 1.048 823 V CB -0.446 30.704 31.823 -1.121 0.000 0.666 823 V HN 0.578 nan 8.190 nan 0.000 0.456 824 L N -0.042 120.975 121.223 -0.342 0.000 2.013 824 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 824 L C 2.796 179.543 176.870 -0.204 0.000 1.073 824 L CA 2.175 56.869 54.840 -0.243 0.000 0.753 824 L CB -0.756 41.236 42.059 -0.112 0.000 0.890 824 L HN 0.447 nan 8.230 nan 0.000 0.432 825 S N -0.266 115.344 115.700 -0.150 0.000 2.370 825 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 825 S C 2.094 176.627 174.600 -0.112 0.000 1.033 825 S CA 1.495 59.636 58.200 -0.100 0.000 1.011 825 S CB -0.098 63.067 63.200 -0.058 0.000 0.852 825 S HN 0.349 nan 8.310 nan 0.000 0.457 826 R N 0.658 121.051 120.500 -0.178 0.000 2.092 826 R HA 0.108 4.448 4.340 -0.000 0.000 0.231 826 R C 2.650 178.868 176.300 -0.137 0.000 1.119 826 R CA 1.174 57.199 56.100 -0.126 0.000 0.970 826 R CB -0.534 29.706 30.300 -0.101 0.000 0.864 826 R HN 0.467 nan 8.270 nan 0.000 0.440 827 A N 1.551 124.128 122.820 -0.404 0.000 1.933 827 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 827 A C 1.562 179.119 177.584 -0.046 0.000 1.175 827 A CA 1.350 53.238 52.037 -0.248 0.000 0.628 827 A CB -0.260 18.495 19.000 -0.407 0.000 0.814 827 A HN 0.215 nan 8.150 nan 0.000 0.444 828 N N 0.077 118.736 118.700 -0.069 0.000 2.398 828 N HA 0.122 4.862 4.740 -0.000 0.000 0.188 828 N C 0.614 176.126 175.510 0.004 0.000 1.122 828 N CA 0.806 53.845 53.050 -0.018 0.000 0.866 828 N CB -0.106 38.360 38.487 -0.035 0.000 0.970 828 N HN 0.384 nan 8.380 nan 0.000 0.462 829 A N 0.717 123.543 122.820 0.009 0.000 3.077 829 A HA 0.288 4.608 4.320 -0.000 0.000 0.255 829 A C 0.416 178.016 177.584 0.028 0.000 1.728 829 A CA -0.024 52.022 52.037 0.016 0.000 1.383 829 A CB -0.425 18.588 19.000 0.022 0.000 1.097 829 A HN 0.039 nan 8.150 nan 0.000 0.634 830 T N -1.475 113.089 114.554 0.018 0.000 2.894 830 T HA 0.333 4.683 4.350 -0.000 0.000 0.309 830 T C 0.116 174.772 174.700 -0.074 0.000 1.208 830 T CA -0.392 61.708 62.100 -0.001 0.000 1.016 830 T CB 1.304 70.240 68.868 0.113 0.000 1.192 830 T HN 0.211 nan 8.240 nan 0.000 0.491 831 E N 1.700 121.751 120.200 -0.249 0.000 2.502 831 E HA 0.167 4.517 4.350 -0.000 0.000 0.194 831 E C -0.143 176.283 176.600 -0.291 0.000 1.062 831 E CA 0.270 56.490 56.400 -0.299 0.000 0.867 831 E CB 0.013 29.482 29.700 -0.385 0.000 0.888 831 E HN 0.497 nan 8.360 nan 0.000 0.510 832 F N -0.011 119.955 119.950 0.027 0.000 2.380 832 F HA 0.540 5.067 4.527 -0.000 0.000 0.319 832 F C 1.375 177.194 175.800 0.031 0.000 1.113 832 F CA -0.748 57.266 58.000 0.024 0.000 1.056 832 F CB 1.401 40.413 39.000 0.021 0.000 1.289 832 F HN -0.164 nan 8.300 nan 0.000 0.515 833 G N 0.910 109.854 108.800 0.240 0.000 5.061 833 G HA2 0.265 4.224 3.960 -0.000 0.000 0.213 833 G HA3 0.265 4.224 3.960 -0.000 0.000 0.213 833 G C -0.222 174.631 174.900 -0.079 0.000 1.463 833 G CA -0.188 44.970 45.100 0.097 0.000 0.617 833 G HN 0.557 nan 8.290 nan 0.000 0.289 834 L N 0.567 121.761 121.223 -0.050 0.000 2.121 834 L HA 0.834 5.174 4.340 -0.000 0.000 0.200 834 L C 1.216 177.994 176.870 -0.153 0.000 1.077 834 L CA 2.067 56.826 54.840 -0.135 0.000 0.766 834 L CB -0.009 42.022 42.059 -0.047 0.000 0.931 834 L HN 0.447 nan 8.230 nan 0.000 0.452 835 A N -1.991 120.810 122.820 -0.033 0.000 2.504 835 A HA 0.859 5.179 4.320 -0.000 0.000 0.285 835 A C -0.872 176.729 177.584 0.029 0.000 1.261 835 A CA 0.204 52.217 52.037 -0.039 0.000 0.741 835 A CB 1.114 20.176 19.000 0.102 0.000 1.327 835 A HN 0.428 nan 8.150 nan 0.000 0.441 836 S N -2.198 113.533 115.700 0.052 0.000 2.645 836 S HA 0.743 5.212 4.470 -0.000 0.000 0.268 836 S C -0.519 174.209 174.600 0.213 0.000 1.110 836 S CA -0.101 58.182 58.200 0.137 0.000 0.823 836 S CB 0.601 63.817 63.200 0.026 0.000 1.091 836 S HN 2.524 nan 8.310 nan 0.000 0.466 837 G N -0.855 108.090 108.800 0.242 0.000 2.673 837 G HA2 0.719 4.679 3.960 -0.000 0.000 0.292 837 G HA3 0.719 4.679 3.960 -0.000 0.000 0.292 837 G C -1.946 172.997 174.900 0.070 0.000 1.450 837 G CA -0.232 45.028 45.100 0.267 0.000 0.837 837 G HN 1.697 nan 8.290 nan 0.000 0.505 838 V N 0.636 120.613 119.914 0.105 0.000 2.711 838 V HA 0.760 4.879 4.120 -0.000 0.000 0.304 838 V C -1.752 174.535 176.094 0.321 0.000 1.097 838 V CA -0.995 61.378 62.300 0.122 0.000 0.906 838 V CB 1.423 33.383 31.823 0.228 0.000 1.015 838 V HN 0.581 nan 8.190 nan 0.000 0.427 839 F N 4.392 124.498 119.950 0.260 0.000 2.411 839 F HA 0.876 5.402 4.527 -0.000 0.000 0.352 839 F C 0.423 176.409 175.800 0.310 0.000 1.123 839 F CA -0.704 57.437 58.000 0.235 0.000 1.044 839 F CB 1.673 40.782 39.000 0.181 0.000 1.135 839 F HN 0.586 nan 8.300 nan 0.000 0.461 840 T N 2.646 117.448 114.554 0.414 0.000 3.003 840 T HA 0.271 4.620 4.350 -0.000 0.000 0.354 840 T C 0.359 175.157 174.700 0.163 0.000 1.651 840 T CA -0.658 61.609 62.100 0.278 0.000 1.103 840 T CB 1.148 70.120 68.868 0.172 0.000 1.450 840 T HN 0.708 nan 8.240 nan 0.000 0.484 841 R N 1.065 121.633 120.500 0.113 0.000 2.276 841 R HA 0.096 4.436 4.340 -0.000 0.000 0.196 841 R C -0.104 176.221 176.300 0.042 0.000 0.961 841 R CA -0.037 56.107 56.100 0.072 0.000 1.024 841 R CB 0.090 30.427 30.300 0.062 0.000 0.940 841 R HN 0.523 nan 8.270 nan 0.000 0.480 842 D N 1.445 121.855 120.400 0.018 0.000 2.336 842 D HA -0.003 4.637 4.640 -0.000 0.000 0.249 842 D C 1.043 177.336 176.300 -0.012 0.000 1.213 842 D CA -0.034 53.956 54.000 -0.017 0.000 0.870 842 D CB 0.674 41.431 40.800 -0.072 0.000 1.076 842 D HN -0.001 nan 8.370 nan 0.000 0.483 843 I N 4.063 124.635 120.570 0.003 0.000 2.208 843 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 843 I C 1.211 177.335 176.117 0.010 0.000 1.097 843 I CA 1.083 62.392 61.300 0.015 0.000 1.363 843 I CB 0.165 38.175 38.000 0.017 0.000 1.051 843 I HN 0.323 nan 8.210 nan 0.000 0.413 844 N N 1.070 119.765 118.700 -0.010 0.000 2.142 844 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 844 N C 1.739 177.246 175.510 -0.006 0.000 1.023 844 N CA 1.138 54.182 53.050 -0.010 0.000 0.852 844 N CB -0.266 38.197 38.487 -0.040 0.000 0.998 844 N HN 0.377 nan 8.380 nan 0.000 0.424 845 K N 0.645 121.004 120.400 -0.068 0.000 2.057 845 K HA 0.053 4.373 4.320 -0.000 0.000 0.206 845 K C 1.990 178.586 176.600 -0.008 0.000 1.050 845 K CA 1.046 57.264 56.287 -0.116 0.000 0.935 845 K CB -0.125 32.143 32.500 -0.386 0.000 0.715 845 K HN 0.117 nan 8.250 nan 0.000 0.439 846 A N 1.555 124.381 122.820 0.011 0.000 1.883 846 A HA -0.158 4.161 4.320 -0.000 0.000 0.217 846 A C 2.137 179.769 177.584 0.079 0.000 1.186 846 A CA 1.332 53.413 52.037 0.073 0.000 0.624 846 A CB -0.681 18.368 19.000 0.082 0.000 0.822 846 A HN 0.171 nan 8.150 nan 0.000 0.444 847 L N -2.347 118.919 121.223 0.072 0.000 2.056 847 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 847 L C 2.630 179.549 176.870 0.082 0.000 1.078 847 L CA 1.841 56.721 54.840 0.067 0.000 0.749 847 L CB -0.694 41.401 42.059 0.061 0.000 0.901 847 L HN 0.592 nan 8.230 nan 0.000 0.433 848 Y N 0.417 120.710 120.300 -0.011 0.000 2.145 848 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 848 Y C 2.417 178.316 175.900 -0.002 0.000 1.145 848 Y CA 1.636 59.729 58.100 -0.012 0.000 1.148 848 Y CB -0.283 38.161 38.460 -0.027 0.000 0.981 848 Y HN -0.176 nan 8.280 nan 0.000 0.507 849 V N 0.225 120.179 119.914 0.067 0.000 2.343 849 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 849 V C 2.568 178.629 176.094 -0.055 0.000 1.051 849 V CA 2.124 64.427 62.300 0.004 0.000 1.036 849 V CB -1.162 30.755 31.823 0.158 0.000 0.654 849 V HN 0.644 nan 8.190 nan 0.000 0.451 850 S N -0.117 115.575 115.700 -0.015 0.000 2.382 850 S HA -0.240 4.230 4.470 -0.000 0.000 0.228 850 S C 1.664 176.228 174.600 -0.061 0.000 1.027 850 S CA 1.493 59.678 58.200 -0.025 0.000 0.991 850 S CB -0.580 62.620 63.200 0.001 0.000 0.823 850 S HN 0.547 nan 8.310 nan 0.000 0.469 851 D N 1.884 122.227 120.400 -0.096 0.000 2.133 851 D HA -0.053 4.586 4.640 -0.000 0.000 0.195 851 D C 1.892 178.097 176.300 -0.158 0.000 0.997 851 D CA 1.163 55.089 54.000 -0.123 0.000 0.840 851 D CB -0.128 40.573 40.800 -0.165 0.000 0.947 851 D HN 0.371 nan 8.370 nan 0.000 0.452 852 K N -0.088 120.161 120.400 -0.253 0.000 2.361 852 K HA 0.116 4.436 4.320 -0.000 0.000 0.196 852 K C 0.710 177.235 176.600 -0.125 0.000 1.039 852 K CA -0.115 56.029 56.287 -0.239 0.000 1.001 852 K CB 0.257 32.521 32.500 -0.393 0.000 0.795 852 K HN 0.215 nan 8.250 nan 0.000 0.495 853 L N 2.751 123.922 121.223 -0.088 0.000 2.410 853 L HA 0.010 4.350 4.340 -0.000 0.000 0.273 853 L C 0.678 177.558 176.870 0.017 0.000 1.152 853 L CA -0.009 54.806 54.840 -0.043 0.000 0.855 853 L CB 0.503 42.538 42.059 -0.040 0.000 1.129 853 L HN -0.093 nan 8.230 nan 0.000 0.463 854 Q N 4.359 124.187 119.800 0.046 0.000 3.150 854 Q HA 0.450 4.790 4.340 -0.000 0.000 0.297 854 Q C -0.481 175.638 176.000 0.198 0.000 1.382 854 Q CA -0.097 55.800 55.803 0.156 0.000 1.059 854 Q CB 0.874 29.676 28.738 0.108 0.000 1.559 854 Q HN 0.621 nan 8.270 nan 0.000 0.548 855 A N -1.128 121.732 122.820 0.067 0.000 2.549 855 A HA 0.679 4.999 4.320 -0.000 0.000 0.297 855 A C 1.015 178.074 177.584 -0.875 0.000 1.061 855 A CA -0.246 51.610 52.037 -0.302 0.000 0.690 855 A CB 1.156 20.056 19.000 -0.167 0.000 1.287 855 A HN 0.384 nan 8.150 nan 0.000 0.402 856 G N 0.194 108.183 108.800 -1.351 0.000 2.462 856 G HA2 0.247 4.207 3.960 -0.000 0.000 0.220 856 G HA3 0.247 4.207 3.960 -0.000 0.000 0.220 856 G C 0.529 175.069 174.900 -0.600 0.000 1.121 856 G CA 1.734 46.046 45.100 -1.312 0.000 0.758 856 G HN 0.854 nan 8.290 nan 0.000 0.559 857 T N -0.503 113.765 114.554 -0.476 0.000 2.916 857 T HA 0.518 4.868 4.350 -0.000 0.000 0.298 857 T C -1.109 173.298 174.700 -0.487 0.000 1.031 857 T CA -0.446 61.373 62.100 -0.468 0.000 0.993 857 T CB 2.801 71.341 68.868 -0.548 0.000 1.045 857 T HN -0.095 nan 8.240 nan 0.000 0.454 858 V N 3.817 123.457 119.914 -0.457 0.000 2.444 858 V HA 0.533 4.653 4.120 -0.000 0.000 0.294 858 V C -0.992 174.877 176.094 -0.375 0.000 1.022 858 V CA -0.903 61.202 62.300 -0.324 0.000 0.850 858 V CB 0.883 32.625 31.823 -0.135 0.000 0.992 858 V HN 0.773 nan 8.190 nan 0.000 0.426 859 F N 4.843 124.754 119.950 -0.066 0.000 2.394 859 F HA 0.606 5.133 4.527 -0.000 0.000 0.340 859 F C 0.334 176.196 175.800 0.102 0.000 1.105 859 F CA -0.781 57.202 58.000 -0.028 0.000 1.124 859 F CB 1.141 40.061 39.000 -0.133 0.000 1.145 859 F HN 0.241 nan 8.300 nan 0.000 0.505 860 I N 3.974 124.732 120.570 0.314 0.000 2.382 860 I HA 0.235 4.404 4.170 -0.000 0.000 0.285 860 I C -0.348 175.949 176.117 0.301 0.000 1.007 860 I CA -0.656 60.814 61.300 0.283 0.000 1.142 860 I CB 0.986 39.091 38.000 0.176 0.000 1.289 860 I HN 0.598 nan 8.210 nan 0.000 0.453 861 N N 2.189 121.149 118.700 0.434 0.000 2.741 861 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 861 N C -0.157 175.407 175.510 0.090 0.000 1.115 861 N CA 1.413 54.607 53.050 0.241 0.000 0.724 861 N CB -0.818 37.744 38.487 0.126 0.000 1.090 861 N HN 0.798 nan 8.380 nan 0.000 0.558 862 T N -2.009 112.707 114.554 0.270 0.000 2.711 862 T HA 0.652 5.001 4.350 -0.000 0.000 0.302 862 T C -2.221 172.627 174.700 0.247 0.000 1.373 862 T CA -0.498 61.679 62.100 0.128 0.000 1.000 862 T CB 1.391 70.276 68.868 0.028 0.000 1.483 862 T HN 0.114 nan 8.240 nan 0.000 0.499 863 Y N 0.646 120.806 120.300 -0.233 0.000 2.641 863 Y HA 0.377 4.927 4.550 -0.000 0.000 0.333 863 Y C 0.241 175.640 175.900 -0.836 0.000 1.174 863 Y CA -0.476 57.256 58.100 -0.613 0.000 1.057 863 Y CB 1.444 39.826 38.460 -0.129 0.000 1.322 863 Y HN 0.830 nan 8.280 nan 0.000 0.457 864 N N 1.035 118.987 118.700 -1.246 0.000 2.753 864 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 864 N C -0.537 174.589 175.510 -0.640 0.000 1.097 864 N CA 1.290 53.894 53.050 -0.743 0.000 0.786 864 N CB -0.687 37.470 38.487 -0.549 0.000 1.137 864 N HN 0.421 nan 8.380 nan 0.000 0.566 865 K N 1.978 121.923 120.400 -0.759 0.000 2.187 865 K HA 0.161 4.481 4.320 -0.000 0.000 0.242 865 K C 0.055 176.648 176.600 -0.012 0.000 1.179 865 K CA -0.172 55.954 56.287 -0.269 0.000 1.097 865 K CB -0.339 32.067 32.500 -0.156 0.000 1.634 865 K HN 0.258 nan 8.250 nan 0.000 0.335 866 T N -0.726 113.777 114.554 -0.085 0.000 2.874 866 T HA 0.396 4.746 4.350 -0.000 0.000 0.281 866 T C -0.422 174.206 174.700 -0.119 0.000 0.994 866 T CA -0.838 61.216 62.100 -0.077 0.000 1.015 866 T CB 1.283 70.056 68.868 -0.157 0.000 1.028 866 T HN 0.440 nan 8.240 nan 0.000 0.523 867 D N 0.083 120.376 120.400 -0.178 0.000 2.837 867 D HA 0.151 4.790 4.640 -0.000 0.000 0.220 867 D C 1.329 177.426 176.300 -0.339 0.000 1.236 867 D CA -0.645 53.231 54.000 -0.205 0.000 0.838 867 D CB 2.554 43.262 40.800 -0.155 0.000 1.647 867 D HN 0.468 nan 8.370 nan 0.000 0.486 868 V N 1.390 121.069 119.914 -0.391 0.000 2.720 868 V HA -0.027 4.092 4.120 -0.000 0.000 0.256 868 V C 1.681 177.201 176.094 -0.956 0.000 1.082 868 V CA 1.950 63.898 62.300 -0.587 0.000 1.101 868 V CB -0.910 30.635 31.823 -0.464 0.000 0.693 868 V HN 0.525 nan 8.190 nan 0.000 0.479 869 A N -0.043 122.286 122.820 -0.819 0.000 2.238 869 A HA 0.730 5.050 4.320 -0.000 0.000 0.210 869 A C 1.373 178.797 177.584 -0.267 0.000 1.179 869 A CA 0.590 52.208 52.037 -0.699 0.000 0.827 869 A CB -0.326 18.467 19.000 -0.346 0.000 0.856 869 A HN 1.047 nan 8.150 nan 0.000 0.488 870 A N 1.659 124.327 122.820 -0.253 0.000 2.267 870 A HA 0.644 4.964 4.320 -0.000 0.000 0.315 870 A C -2.820 174.690 177.584 -0.122 0.000 1.297 870 A CA -1.865 50.089 52.037 -0.139 0.000 0.865 870 A CB 0.393 19.323 19.000 -0.117 0.000 1.165 870 A HN 0.153 nan 8.150 nan 0.000 0.513 871 P HA 0.212 nan 4.420 nan 0.000 0.268 871 P C -0.916 176.384 177.300 -0.001 0.000 1.205 871 P CA 0.294 63.377 63.100 -0.028 0.000 0.771 871 P CB 0.344 32.040 31.700 -0.007 0.000 0.858 872 F N 2.479 122.328 119.950 -0.168 0.000 2.536 872 F HA 0.706 5.233 4.527 -0.000 0.000 0.322 872 F C -0.434 175.314 175.800 -0.087 0.000 1.144 872 F CA -0.036 57.867 58.000 -0.162 0.000 0.924 872 F CB 1.754 40.619 39.000 -0.226 0.000 1.181 872 F HN 0.582 nan 8.300 nan 0.000 0.438 873 G N 2.542 110.881 108.800 -0.768 0.000 2.451 873 G HA2 0.504 4.464 3.960 -0.000 0.000 0.292 873 G HA3 0.504 4.464 3.960 -0.000 0.000 0.292 873 G C -1.497 173.086 174.900 -0.528 0.000 1.427 873 G CA -0.279 44.422 45.100 -0.665 0.000 0.792 873 G HN 1.012 nan 8.290 nan 0.000 0.498 874 G N -1.335 107.261 108.800 -0.340 0.000 2.509 874 G HA2 0.710 4.670 3.960 -0.000 0.000 0.328 874 G HA3 0.710 4.670 3.960 -0.000 0.000 0.328 874 G C -1.157 173.780 174.900 0.062 0.000 1.194 874 G CA -0.636 44.316 45.100 -0.248 0.000 0.967 874 G HN 0.348 nan 8.290 nan 0.000 0.488 875 F N -0.092 119.840 119.950 -0.031 0.000 2.509 875 F HA 0.589 5.116 4.527 -0.000 0.000 0.334 875 F C 1.202 177.017 175.800 0.026 0.000 1.060 875 F CA -1.260 56.740 58.000 0.002 0.000 0.997 875 F CB 1.507 40.501 39.000 -0.009 0.000 1.271 875 F HN 0.671 nan 8.300 nan 0.000 0.488 876 K N -0.159 120.380 120.400 0.231 0.000 1.867 876 K HA -0.309 4.011 4.320 -0.000 0.000 0.140 876 K C 0.961 177.626 176.600 0.108 0.000 1.408 876 K CA 1.684 58.046 56.287 0.126 0.000 0.461 876 K CB -0.829 31.726 32.500 0.093 0.000 0.594 876 K HN 0.665 nan 8.250 nan 0.000 0.888 877 Q N 0.687 120.528 119.800 0.068 0.000 2.444 877 Q HA 0.059 4.398 4.340 -0.000 0.000 0.206 877 Q C 1.303 177.407 176.000 0.174 0.000 0.948 877 Q CA 0.669 56.510 55.803 0.064 0.000 0.946 877 Q CB 0.218 28.922 28.738 -0.057 0.000 1.027 877 Q HN 0.341 nan 8.270 nan 0.000 0.513 878 S N 0.182 116.006 115.700 0.207 0.000 2.603 878 S HA 0.124 4.594 4.470 -0.000 0.000 0.229 878 S C 0.887 175.475 174.600 -0.020 0.000 0.972 878 S CA 0.453 58.729 58.200 0.126 0.000 0.935 878 S CB 0.132 63.379 63.200 0.079 0.000 0.769 878 S HN 0.659 nan 8.310 nan 0.000 0.536 879 G N 1.281 110.049 108.800 -0.053 0.000 2.416 879 G HA2 0.039 3.998 3.960 -0.000 0.000 0.203 879 G HA3 0.039 3.998 3.960 -0.000 0.000 0.203 879 G C -0.955 173.829 174.900 -0.194 0.000 1.227 879 G CA -0.465 44.453 45.100 -0.303 0.000 1.041 879 G HN 0.631 nan 8.290 nan 0.000 0.546 880 F N -1.964 118.001 119.950 0.024 0.000 2.713 880 F HA 0.848 5.375 4.527 -0.000 0.000 0.311 880 F C 0.525 176.315 175.800 -0.016 0.000 1.141 880 F CA -0.382 57.626 58.000 0.014 0.000 0.939 880 F CB 1.154 40.157 39.000 0.005 0.000 1.325 880 F HN 2.512 nan 8.300 nan 0.000 0.453 881 G N 1.506 110.455 108.800 0.248 0.000 2.690 881 G HA2 0.244 4.204 3.960 -0.000 0.000 0.686 881 G HA3 0.244 4.204 3.960 -0.000 0.000 0.686 881 G C -1.898 173.018 174.900 0.025 0.000 1.277 881 G CA -1.172 44.002 45.100 0.123 0.000 0.799 881 G HN 0.708 nan 8.290 nan 0.000 0.613 882 K N 0.946 121.354 120.400 0.013 0.000 2.259 882 K HA 0.555 4.875 4.320 -0.000 0.000 0.252 882 K C -0.728 175.900 176.600 0.048 0.000 0.936 882 K CA -0.882 55.404 56.287 -0.002 0.000 0.810 882 K CB 2.105 34.610 32.500 0.009 0.000 1.143 882 K HN 0.583 nan 8.250 nan 0.000 0.427 883 D N 2.060 122.511 120.400 0.084 0.000 2.229 883 D HA 0.522 5.162 4.640 -0.000 0.000 0.249 883 D C 0.526 176.829 176.300 0.005 0.000 1.027 883 D CA -0.349 53.719 54.000 0.114 0.000 0.923 883 D CB 1.011 41.973 40.800 0.269 0.000 1.174 883 D HN 0.368 nan 8.370 nan 0.000 0.443 884 L N -0.239 121.005 121.223 0.034 0.000 0.585 884 L HA -0.113 4.227 4.340 -0.000 0.000 0.356 884 L C 0.611 177.556 176.870 0.125 0.000 1.004 884 L CA 0.424 55.269 54.840 0.008 0.000 1.223 884 L CB -1.198 40.604 42.059 -0.429 0.000 0.012 884 L HN 0.872 nan 8.230 nan 0.000 0.091 885 G N 0.583 109.409 108.800 0.043 0.000 2.829 885 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.628 885 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.628 885 G C 0.342 175.403 174.900 0.269 0.000 1.412 885 G CA 0.674 45.849 45.100 0.125 0.000 0.864 885 G HN 1.141 nan 8.290 nan 0.000 0.544 886 E N 0.019 120.317 120.200 0.164 0.000 2.118 886 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 886 E C 2.854 179.359 176.600 -0.157 0.000 0.992 886 E CA 2.007 58.249 56.400 -0.264 0.000 0.804 886 E CB -0.342 29.186 29.700 -0.287 0.000 0.741 886 E HN 1.123 nan 8.360 nan 0.000 0.458 887 A N 1.098 123.900 122.820 -0.029 0.000 1.978 887 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 887 A C 2.360 179.952 177.584 0.013 0.000 1.170 887 A CA 1.767 53.795 52.037 -0.016 0.000 0.636 887 A CB -0.702 18.302 19.000 0.007 0.000 0.810 887 A HN 0.426 nan 8.150 nan 0.000 0.448 888 A N -0.270 122.601 122.820 0.084 0.000 1.972 888 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 888 A C 2.083 179.728 177.584 0.102 0.000 1.169 888 A CA 1.440 53.542 52.037 0.109 0.000 0.635 888 A CB -0.553 18.553 19.000 0.177 0.000 0.810 888 A HN 0.503 nan 8.150 nan 0.000 0.446 889 L N -0.177 121.082 121.223 0.059 0.000 2.131 889 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 889 L C 2.006 178.903 176.870 0.045 0.000 1.092 889 L CA 0.944 55.811 54.840 0.045 0.000 0.759 889 L CB -0.615 41.388 42.059 -0.094 0.000 0.903 889 L HN 0.363 nan 8.230 nan 0.000 0.435 890 N N -0.126 118.564 118.700 -0.016 0.000 2.364 890 N HA -0.155 4.585 4.740 -0.000 0.000 0.183 890 N C 1.616 177.089 175.510 -0.062 0.000 1.022 890 N CA 0.877 53.906 53.050 -0.034 0.000 0.883 890 N CB -0.107 38.352 38.487 -0.047 0.000 0.965 890 N HN 0.345 nan 8.380 nan 0.000 0.438 891 E N -0.315 119.814 120.200 -0.119 0.000 2.338 891 E HA -0.083 4.267 4.350 -0.000 0.000 0.197 891 E C 0.488 176.824 176.600 -0.439 0.000 1.007 891 E CA 0.709 56.925 56.400 -0.308 0.000 0.849 891 E CB -0.104 29.320 29.700 -0.460 0.000 0.774 891 E HN 0.531 nan 8.360 nan 0.000 0.506 892 Y N -0.656 119.631 120.300 -0.021 0.000 2.612 892 Y HA 0.323 4.873 4.550 -0.000 0.000 0.250 892 Y C 0.460 176.359 175.900 -0.001 0.000 1.175 892 Y CA -0.139 57.952 58.100 -0.015 0.000 1.205 892 Y CB 0.710 39.155 38.460 -0.024 0.000 1.201 892 Y HN -0.171 nan 8.280 nan 0.000 0.532 893 L N 1.090 122.367 121.223 0.090 0.000 2.341 893 L HA 0.643 4.983 4.340 -0.000 0.000 0.267 893 L C -0.326 176.561 176.870 0.029 0.000 1.009 893 L CA -1.178 53.703 54.840 0.068 0.000 0.819 893 L CB 2.349 44.439 42.059 0.052 0.000 1.323 893 L HN -0.025 nan 8.230 nan 0.000 0.425 894 R N 1.353 121.875 120.500 0.036 0.000 2.854 894 R HA 0.770 5.110 4.340 -0.000 0.000 0.271 894 R C -1.375 174.939 176.300 0.023 0.000 0.996 894 R CA -0.798 55.314 56.100 0.020 0.000 0.961 894 R CB 1.855 32.168 30.300 0.023 0.000 1.182 894 R HN 0.471 nan 8.270 nan 0.000 0.479 895 I N 1.793 122.370 120.570 0.012 0.000 2.362 895 I HA 0.300 4.470 4.170 -0.000 0.000 0.289 895 I C -0.212 175.913 176.117 0.014 0.000 0.994 895 I CA -0.733 60.575 61.300 0.014 0.000 1.158 895 I CB 1.784 39.787 38.000 0.006 0.000 1.315 895 I HN 0.565 nan 8.210 nan 0.000 0.451 896 K N 5.148 125.561 120.400 0.021 0.000 2.185 896 K HA 0.466 4.786 4.320 -0.000 0.000 0.269 896 K C -0.825 175.785 176.600 0.017 0.000 0.987 896 K CA -0.339 55.958 56.287 0.016 0.000 0.865 896 K CB 1.310 33.822 32.500 0.019 0.000 1.090 896 K HN 0.501 nan 8.250 nan 0.000 0.450 897 T N 3.267 117.827 114.554 0.010 0.000 2.749 897 T HA 0.279 4.628 4.350 -0.000 0.000 0.287 897 T C -0.745 173.958 174.700 0.004 0.000 0.970 897 T CA -0.576 61.534 62.100 0.016 0.000 0.980 897 T CB 1.094 69.969 68.868 0.012 0.000 0.924 897 T HN 0.302 nan 8.240 nan 0.000 0.456 898 V N 4.192 124.119 119.914 0.021 0.000 2.384 898 V HA 0.464 4.584 4.120 -0.000 0.000 0.287 898 V C 0.215 176.320 176.094 0.017 0.000 1.020 898 V CA -0.698 61.581 62.300 -0.035 0.000 0.850 898 V CB 1.695 33.492 31.823 -0.043 0.000 0.987 898 V HN 0.920 nan 8.190 nan 0.000 0.436 899 T N 5.919 120.436 114.554 -0.061 0.000 2.791 899 T HA 0.634 4.983 4.350 -0.000 0.000 0.288 899 T C -0.672 174.029 174.700 0.001 0.000 0.999 899 T CA -0.114 62.020 62.100 0.056 0.000 0.952 899 T CB 0.420 69.311 68.868 0.039 0.000 0.938 899 T HN 0.274 nan 8.240 nan 0.000 0.444 900 F N 1.879 121.877 119.950 0.080 0.000 2.422 900 F HA 0.494 5.021 4.527 -0.000 0.000 0.333 900 F C 0.833 176.721 175.800 0.146 0.000 1.095 900 F CA -1.183 56.887 58.000 0.118 0.000 1.038 900 F CB 1.162 40.256 39.000 0.156 0.000 1.156 900 F HN 0.433 nan 8.300 nan 0.000 0.483 901 E N 2.836 123.211 120.200 0.293 0.000 2.183 901 E HA 0.469 4.819 4.350 -0.000 0.000 0.271 901 E C -1.579 175.191 176.600 0.283 0.000 0.919 901 E CA -0.539 55.978 56.400 0.195 0.000 0.781 901 E CB 1.536 31.280 29.700 0.075 0.000 1.140 901 E HN 0.613 nan 8.360 nan 0.000 0.402 902 Y N 0.000 120.346 120.300 0.077 0.000 2.660 902 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 902 Y CA 0.000 58.133 58.100 0.055 0.000 1.940 902 Y CB 0.000 38.488 38.460 0.046 0.000 1.050 902 Y HN 0.000 nan 8.280 nan 0.000 0.758