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 3eyw_1_B DATA FIRST_RESID 400 DATA SEQUENCE MRVIIAGFGR FGQITGRLLL SSGVKMVVLD HDPDHIETLR KFGMKVFYGD DATA SEQUENCE ATRMDLLESA GAAKAEVLIN AIDDPQTNLQ LTEMVKEHFP HLQIIARARD DATA SEQUENCE VDHYIRLRQA GVEKPERETF EGALKTGRLA LESLGLGPYE ARERADVFRR DATA SEQUENCE FNIQMVEEMA MVENDTKARA AVYKRTSAXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XMILIIYAHP YPHHSHANKR MLEQARTLEG VEIRSLYQLY PDFNIDIAAE DATA SEQUENCE QEALSRADLI VWQHPMQWYS IPPLLKLWID KVFSHGWAYG HGGTALHGKH DATA SEQUENCE LLWAVTTGGG ESHFEIGAHP GFDVLSQPLQ ATAIYCGLNW LPPFAMHCTF DATA SEQUENCE ICDDETLEGQ ARHYKQRLLE WQEAH 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 400 M HA 0.000 nan 4.480 nan 0.000 0.227 400 M C 0.000 176.307 176.300 0.011 0.000 1.140 400 M CA 0.000 55.309 55.300 0.014 0.000 0.988 400 M CB 0.000 32.607 32.600 0.011 0.000 1.302 401 R N -0.199 120.308 120.500 0.012 0.000 2.383 401 R HA 0.396 4.738 4.340 0.004 0.000 0.205 401 R C 0.119 176.426 176.300 0.011 0.000 0.875 401 R CA 0.326 56.433 56.100 0.012 0.000 1.039 401 R CB 1.481 31.788 30.300 0.010 0.000 1.267 401 R HN 0.073 nan 8.270 nan 0.000 0.635 402 V N 2.617 122.538 119.914 0.012 0.000 2.540 402 V HA 0.417 4.539 4.120 0.004 0.000 0.302 402 V C -0.442 175.660 176.094 0.013 0.000 1.035 402 V CA -0.761 61.547 62.300 0.013 0.000 0.873 402 V CB 2.301 34.137 31.823 0.021 0.000 0.992 402 V HN 0.099 nan 8.190 nan 0.000 0.428 403 I N 5.457 126.029 120.570 0.003 0.000 2.336 403 I HA 0.482 4.655 4.170 0.004 0.000 0.292 403 I C -0.498 175.638 176.117 0.032 0.000 0.991 403 I CA -0.298 61.006 61.300 0.006 0.000 1.227 403 I CB 1.475 39.453 38.000 -0.037 0.000 1.366 403 I HN 0.413 nan 8.210 nan 0.000 0.466 404 I N 5.831 126.437 120.570 0.059 0.000 2.339 404 I HA 0.472 4.644 4.170 0.004 0.000 0.290 404 I C 0.201 176.379 176.117 0.103 0.000 0.994 404 I CA -0.546 60.816 61.300 0.102 0.000 1.191 404 I CB 1.672 39.773 38.000 0.169 0.000 1.343 404 I HN 0.589 nan 8.210 nan 0.000 0.458 405 A N 5.346 128.219 122.820 0.090 0.000 2.253 405 A HA 0.763 5.085 4.320 0.004 0.000 0.316 405 A C 0.431 178.074 177.584 0.097 0.000 1.327 405 A CA -0.156 51.924 52.037 0.072 0.000 0.917 405 A CB 0.242 19.261 19.000 0.031 0.000 1.162 405 A HN 1.098 nan 8.150 nan 0.000 0.535 406 G N 0.633 109.512 108.800 0.131 0.000 3.338 406 G HA2 0.008 3.970 3.960 0.004 0.000 0.686 406 G HA3 0.008 3.970 3.960 0.004 0.000 0.686 406 G C -0.683 174.385 174.900 0.280 0.000 1.053 406 G CA -0.300 44.898 45.100 0.163 0.000 0.852 406 G HN 1.343 nan 8.290 nan 0.000 0.545 407 F N 3.324 123.306 119.950 0.053 0.000 2.623 407 F HA 0.524 5.053 4.527 0.004 0.000 0.361 407 F C 1.152 176.741 175.800 -0.353 0.000 1.469 407 F CA 0.185 58.150 58.000 -0.058 0.000 1.126 407 F CB 0.237 39.230 39.000 -0.013 0.000 1.221 407 F HN 0.827 nan 8.300 nan 0.000 0.536 408 G N 0.569 109.243 108.800 -0.209 0.000 2.641 408 G HA2 0.199 4.161 3.960 0.004 0.000 0.239 408 G HA3 0.199 4.161 3.960 0.004 0.000 0.239 408 G C 0.851 175.633 174.900 -0.196 0.000 1.402 408 G CA -0.592 44.382 45.100 -0.210 0.000 1.046 408 G HN 0.338 nan 8.290 nan 0.000 0.565 409 R N -1.470 119.004 120.500 -0.044 0.000 2.119 409 R HA -0.168 4.174 4.340 0.004 0.000 0.246 409 R C 2.216 178.494 176.300 -0.036 0.000 1.146 409 R CA 1.940 58.019 56.100 -0.035 0.000 0.962 409 R CB -0.454 29.870 30.300 0.040 0.000 0.863 409 R HN 0.407 nan 8.270 nan 0.000 0.442 410 F N 0.398 120.294 119.950 -0.091 0.000 2.098 410 F HA 0.039 4.567 4.527 0.003 0.000 0.294 410 F C 2.419 178.156 175.800 -0.105 0.000 1.107 410 F CA 1.737 59.699 58.000 -0.064 0.000 1.234 410 F CB -0.670 38.323 39.000 -0.012 0.000 1.002 410 F HN 0.021 nan 8.300 nan 0.000 0.472 411 G N -0.689 108.194 108.800 0.138 0.000 2.422 411 G HA2 -0.240 3.722 3.960 0.004 0.000 0.218 411 G HA3 -0.240 3.722 3.960 0.004 0.000 0.218 411 G C 1.458 176.163 174.900 -0.325 0.000 1.146 411 G CA 0.771 45.891 45.100 0.033 0.000 0.769 411 G HN 0.429 nan 8.290 nan 0.000 0.547 412 Q N -0.439 118.927 119.800 -0.723 0.000 2.119 412 Q HA 0.002 4.344 4.340 0.004 0.000 0.201 412 Q C 2.581 178.343 176.000 -0.397 0.000 0.972 412 Q CA 0.649 55.887 55.803 -0.942 0.000 0.847 412 Q CB -0.104 28.131 28.738 -0.837 0.000 0.903 412 Q HN 0.368 nan 8.270 nan 0.000 0.433 413 I N 0.515 120.907 120.570 -0.296 0.000 2.163 413 I HA -0.213 3.959 4.170 0.004 0.000 0.240 413 I C 2.176 178.176 176.117 -0.195 0.000 1.081 413 I CA 1.471 62.636 61.300 -0.224 0.000 1.353 413 I CB -1.298 36.557 38.000 -0.240 0.000 1.054 413 I HN 0.217 nan 8.210 nan 0.000 0.407 414 T N 0.894 115.324 114.554 -0.206 0.000 2.635 414 T HA -0.160 4.192 4.350 0.004 0.000 0.267 414 T C 1.885 176.558 174.700 -0.044 0.000 1.040 414 T CA 1.761 63.792 62.100 -0.115 0.000 1.156 414 T CB -0.805 68.030 68.868 -0.055 0.000 0.863 414 T HN 0.538 nan 8.240 nan 0.000 0.430 415 G N 0.972 109.776 108.800 0.006 0.000 2.432 415 G HA2 -0.233 3.730 3.960 0.004 0.000 0.219 415 G HA3 -0.233 3.730 3.960 0.004 0.000 0.219 415 G C 1.675 176.538 174.900 -0.061 0.000 1.135 415 G CA 0.859 46.004 45.100 0.075 0.000 0.767 415 G HN 0.322 nan 8.290 nan 0.000 0.550 416 R N 0.026 120.437 120.500 -0.148 0.000 2.075 416 R HA 0.078 4.420 4.340 0.004 0.000 0.232 416 R C 2.338 178.551 176.300 -0.145 0.000 1.126 416 R CA 0.965 56.921 56.100 -0.240 0.000 0.963 416 R CB -0.942 29.221 30.300 -0.227 0.000 0.858 416 R HN 0.314 nan 8.270 nan 0.000 0.435 417 L N -0.001 121.163 121.223 -0.099 0.000 2.042 417 L HA -0.113 4.230 4.340 0.004 0.000 0.210 417 L C 1.705 178.549 176.870 -0.043 0.000 1.076 417 L CA 1.703 56.507 54.840 -0.061 0.000 0.749 417 L CB -0.628 41.401 42.059 -0.050 0.000 0.893 417 L HN 0.234 nan 8.230 nan 0.000 0.432 418 L N -1.046 120.154 121.223 -0.040 0.000 2.093 418 L HA -0.185 4.157 4.340 0.004 0.000 0.208 418 L C 2.426 179.277 176.870 -0.033 0.000 1.085 418 L CA 1.523 56.350 54.840 -0.022 0.000 0.755 418 L CB -0.879 41.177 42.059 -0.005 0.000 0.904 418 L HN 0.248 nan 8.230 nan 0.000 0.435 419 L N -1.380 119.801 121.223 -0.070 0.000 2.013 419 L HA -0.289 4.053 4.340 0.004 0.000 0.212 419 L C 2.520 179.368 176.870 -0.037 0.000 1.073 419 L CA 1.468 56.265 54.840 -0.072 0.000 0.753 419 L CB -0.602 41.364 42.059 -0.155 0.000 0.890 419 L HN 0.230 nan 8.230 nan 0.000 0.432 420 S N -0.921 114.756 115.700 -0.038 0.000 2.419 420 S HA -0.145 4.327 4.470 0.004 0.000 0.235 420 S C 1.860 176.460 174.600 0.000 0.000 1.019 420 S CA 1.288 59.480 58.200 -0.013 0.000 0.982 420 S CB -0.072 63.121 63.200 -0.012 0.000 0.789 420 S HN 0.347 nan 8.310 nan 0.000 0.490 421 S N -0.150 115.550 115.700 -0.000 0.000 2.605 421 S HA 0.333 4.805 4.470 0.004 0.000 0.217 421 S C 1.367 175.973 174.600 0.010 0.000 0.958 421 S CA 0.409 58.615 58.200 0.011 0.000 0.919 421 S CB 0.248 63.458 63.200 0.017 0.000 0.780 421 S HN 0.704 nan 8.310 nan 0.000 0.507 422 G N 1.450 110.253 108.800 0.005 0.000 2.179 422 G HA2 -0.257 3.705 3.960 0.004 0.000 0.257 422 G HA3 -0.257 3.705 3.960 0.004 0.000 0.257 422 G C 0.154 175.058 174.900 0.006 0.000 1.010 422 G CA 0.194 45.298 45.100 0.007 0.000 0.736 422 G HN 0.426 nan 8.290 nan 0.000 0.513 423 V N -0.053 119.863 119.914 0.003 0.000 2.637 423 V HA 0.285 4.407 4.120 0.004 0.000 0.296 423 V C 0.949 177.045 176.094 0.005 0.000 1.046 423 V CA 0.197 62.501 62.300 0.005 0.000 1.066 423 V CB 1.393 33.220 31.823 0.007 0.000 0.968 423 V HN 0.349 nan 8.190 nan 0.000 0.483 424 K N 6.326 126.731 120.400 0.008 0.000 2.248 424 K HA 0.580 4.902 4.320 0.004 0.000 0.281 424 K C -0.210 176.397 176.600 0.012 0.000 1.054 424 K CA -0.094 56.198 56.287 0.010 0.000 0.903 424 K CB 0.761 33.267 32.500 0.011 0.000 1.077 424 K HN 0.775 nan 8.250 nan 0.000 0.474 425 M N 0.626 120.232 119.600 0.010 0.000 2.593 425 M HA 0.575 5.057 4.480 0.004 0.000 0.290 425 M C -1.436 174.873 176.300 0.015 0.000 1.244 425 M CA -1.051 54.257 55.300 0.013 0.000 0.857 425 M CB 1.843 34.451 32.600 0.014 0.000 1.738 425 M HN 0.158 nan 8.290 nan 0.000 0.461 426 V N 1.793 121.727 119.914 0.033 0.000 2.680 426 V HA 0.732 4.854 4.120 0.004 0.000 0.309 426 V C -0.713 175.414 176.094 0.055 0.000 1.052 426 V CA -0.681 61.660 62.300 0.069 0.000 0.908 426 V CB 2.147 34.065 31.823 0.158 0.000 1.001 426 V HN 0.765 nan 8.190 nan 0.000 0.431 427 V N 5.108 125.050 119.914 0.047 0.000 2.531 427 V HA 0.518 4.640 4.120 0.004 0.000 0.301 427 V C -0.793 175.366 176.094 0.109 0.000 1.034 427 V CA -0.592 61.713 62.300 0.008 0.000 0.865 427 V CB 1.713 33.394 31.823 -0.237 0.000 0.995 427 V HN 0.607 nan 8.190 nan 0.000 0.424 428 L N 4.217 125.511 121.223 0.118 0.000 2.295 428 L HA 0.759 5.101 4.340 0.004 0.000 0.285 428 L C -0.423 176.525 176.870 0.130 0.000 1.035 428 L CA 0.275 55.196 54.840 0.135 0.000 0.806 428 L CB 1.368 43.475 42.059 0.080 0.000 1.214 428 L HN 0.765 nan 8.230 nan 0.000 0.426 429 D N -0.720 119.775 120.400 0.157 0.000 2.836 429 D HA 0.288 4.930 4.640 0.004 0.000 0.215 429 D C -0.251 176.181 176.300 0.220 0.000 1.255 429 D CA -0.365 53.765 54.000 0.217 0.000 0.822 429 D CB 0.944 41.956 40.800 0.354 0.000 1.656 429 D HN 0.590 nan 8.370 nan 0.000 0.511 430 H N 1.440 120.540 119.070 0.050 0.000 2.542 430 H HA 0.328 4.886 4.556 0.003 0.000 0.283 430 H C -0.803 174.553 175.328 0.047 0.000 1.059 430 H CA -0.458 55.501 56.048 -0.150 0.000 1.162 430 H CB -0.029 29.640 29.762 -0.154 0.000 1.539 430 H HN 0.170 nan 8.280 nan 0.000 0.543 431 D N 1.784 122.423 120.400 0.398 0.000 2.303 431 D HA 0.234 4.877 4.640 0.004 0.000 0.236 431 D C -1.851 174.572 176.300 0.204 0.000 1.068 431 D CA -2.551 51.555 54.000 0.176 0.000 0.830 431 D CB 2.363 43.146 40.800 -0.029 0.000 1.109 431 D HN 0.016 nan 8.370 nan 0.000 0.496 432 P HA -0.010 nan 4.420 nan 0.000 0.223 432 P C 0.319 177.595 177.300 -0.040 0.000 1.151 432 P CA 0.547 63.650 63.100 0.005 0.000 0.787 432 P CB 0.409 32.072 31.700 -0.062 0.000 0.788 433 D N -1.797 118.543 120.400 -0.099 0.000 2.378 433 D HA -0.122 4.521 4.640 0.004 0.000 0.222 433 D C 1.244 177.549 176.300 0.008 0.000 0.980 433 D CA 1.038 54.983 54.000 -0.093 0.000 0.907 433 D CB -0.647 40.068 40.800 -0.142 0.000 0.899 433 D HN 0.461 nan 8.370 nan 0.000 0.527 434 H N -1.004 118.160 119.070 0.156 0.000 2.648 434 H HA 0.161 4.720 4.556 0.003 0.000 0.265 434 H C 1.650 177.083 175.328 0.175 0.000 0.961 434 H CA -0.472 55.707 56.048 0.218 0.000 1.185 434 H CB 0.755 30.715 29.762 0.330 0.000 1.449 434 H HN -0.007 nan 8.280 nan 0.000 0.523 435 I N 1.830 122.516 120.570 0.193 0.000 2.248 435 I HA -0.263 3.909 4.170 0.004 0.000 0.248 435 I C 1.905 178.055 176.117 0.055 0.000 1.107 435 I CA 1.650 62.999 61.300 0.082 0.000 1.373 435 I CB -0.686 37.293 38.000 -0.036 0.000 1.055 435 I HN 0.482 nan 8.210 nan 0.000 0.418 436 E N -0.179 120.057 120.200 0.059 0.000 2.112 436 E HA -0.105 4.247 4.350 0.004 0.000 0.190 436 E C 2.015 178.633 176.600 0.029 0.000 0.979 436 E CA 1.369 57.784 56.400 0.024 0.000 0.814 436 E CB -0.372 29.334 29.700 0.012 0.000 0.762 436 E HN 0.437 nan 8.360 nan 0.000 0.460 437 T N 2.219 116.837 114.554 0.106 0.000 2.777 437 T HA -0.082 4.270 4.350 0.004 0.000 0.266 437 T C 2.094 176.894 174.700 0.167 0.000 1.040 437 T CA 0.792 62.968 62.100 0.126 0.000 1.141 437 T CB -0.179 68.864 68.868 0.292 0.000 0.868 437 T HN 0.037 nan 8.240 nan 0.000 0.444 438 L N 0.408 121.739 121.223 0.181 0.000 2.056 438 L HA -0.015 4.327 4.340 0.004 0.000 0.207 438 L C 2.879 179.775 176.870 0.043 0.000 1.078 438 L CA 1.246 56.129 54.840 0.071 0.000 0.749 438 L CB -0.444 41.558 42.059 -0.094 0.000 0.901 438 L HN 0.113 nan 8.230 nan 0.000 0.433 439 R N 0.500 121.004 120.500 0.005 0.000 2.083 439 R HA -0.216 4.127 4.340 0.004 0.000 0.237 439 R C 2.328 178.606 176.300 -0.035 0.000 1.137 439 R CA 1.683 57.772 56.100 -0.019 0.000 0.951 439 R CB -0.087 30.195 30.300 -0.031 0.000 0.851 439 R HN 0.266 nan 8.270 nan 0.000 0.434 440 K N -0.553 119.789 120.400 -0.096 0.000 2.074 440 K HA -0.169 4.153 4.320 0.004 0.000 0.209 440 K C 1.706 178.183 176.600 -0.206 0.000 1.048 440 K CA 1.831 57.992 56.287 -0.210 0.000 0.926 440 K CB -0.159 32.119 32.500 -0.370 0.000 0.713 440 K HN 0.228 nan 8.250 nan 0.000 0.444 441 F N -0.140 119.832 119.950 0.037 0.000 2.811 441 F HA 0.095 4.624 4.527 0.004 0.000 0.301 441 F C 1.412 177.215 175.800 0.005 0.000 1.151 441 F CA 0.252 58.271 58.000 0.033 0.000 1.412 441 F CB 0.426 39.464 39.000 0.064 0.000 1.113 441 F HN 0.200 nan 8.300 nan 0.000 0.579 442 G N 1.004 109.877 108.800 0.121 0.000 2.168 442 G HA2 -0.353 3.609 3.960 0.004 0.000 0.257 442 G HA3 -0.353 3.609 3.960 0.004 0.000 0.257 442 G C 0.255 175.178 174.900 0.039 0.000 0.997 442 G CA -0.143 44.994 45.100 0.061 0.000 0.708 442 G HN 0.292 nan 8.290 nan 0.000 0.520 443 M N 0.010 119.635 119.600 0.042 0.000 2.185 443 M HA 0.373 4.856 4.480 0.004 0.000 0.357 443 M C 0.675 176.935 176.300 -0.067 0.000 1.260 443 M CA -0.615 54.674 55.300 -0.018 0.000 1.124 443 M CB 1.041 33.603 32.600 -0.063 0.000 1.600 443 M HN 0.050 nan 8.290 nan 0.000 0.467 444 K N 3.044 123.401 120.400 -0.071 0.000 2.412 444 K HA 0.249 4.571 4.320 0.004 0.000 0.284 444 K C -1.405 175.105 176.600 -0.149 0.000 1.046 444 K CA 0.005 56.216 56.287 -0.127 0.000 0.999 444 K CB 0.353 32.795 32.500 -0.096 0.000 0.941 444 K HN 0.497 nan 8.250 nan 0.000 0.474 445 V N 6.588 126.370 119.914 -0.220 0.000 2.555 445 V HA 0.556 4.678 4.120 0.004 0.000 0.302 445 V C -1.391 174.538 176.094 -0.275 0.000 1.038 445 V CA -0.835 61.377 62.300 -0.145 0.000 0.887 445 V CB 0.797 32.581 31.823 -0.066 0.000 0.991 445 V HN 0.663 nan 8.190 nan 0.000 0.434 446 F N 7.001 126.977 119.950 0.044 0.000 2.332 446 F HA 0.395 4.924 4.527 0.003 0.000 0.368 446 F C -0.249 175.621 175.800 0.116 0.000 1.110 446 F CA -0.463 57.578 58.000 0.069 0.000 1.087 446 F CB 0.984 40.002 39.000 0.031 0.000 1.235 446 F HN 0.609 nan 8.300 nan 0.000 0.470 447 Y N 3.290 123.669 120.300 0.132 0.000 2.436 447 Y HA 0.569 5.121 4.550 0.004 0.000 0.336 447 Y C 0.304 176.292 175.900 0.145 0.000 1.049 447 Y CA 0.105 58.278 58.100 0.121 0.000 1.294 447 Y CB 0.226 38.727 38.460 0.069 0.000 1.179 447 Y HN 0.730 nan 8.280 nan 0.000 0.520 448 G N 4.561 113.122 108.800 -0.399 0.000 2.369 448 G HA2 -0.010 3.952 3.960 0.004 0.000 0.293 448 G HA3 -0.010 3.952 3.960 0.004 0.000 0.293 448 G C -1.867 172.975 174.900 -0.096 0.000 1.301 448 G CA -0.965 43.956 45.100 -0.298 0.000 0.913 448 G HN 0.569 nan 8.290 nan 0.000 0.540 449 D N 0.712 121.088 120.400 -0.041 0.000 2.382 449 D HA 0.465 5.107 4.640 0.004 0.000 0.259 449 D C 1.507 177.790 176.300 -0.028 0.000 1.224 449 D CA 0.664 54.654 54.000 -0.016 0.000 0.894 449 D CB 1.319 42.129 40.800 0.017 0.000 1.127 449 D HN 0.832 nan 8.370 nan 0.000 0.487 450 A N 3.080 125.870 122.820 -0.050 0.000 2.121 450 A HA -0.125 4.198 4.320 0.004 0.000 0.218 450 A C 1.872 179.449 177.584 -0.013 0.000 1.154 450 A CA 1.611 53.631 52.037 -0.028 0.000 0.679 450 A CB -0.505 18.478 19.000 -0.028 0.000 0.795 450 A HN 0.660 nan 8.150 nan 0.000 0.458 451 T N -2.642 111.904 114.554 -0.012 0.000 3.148 451 T HA 0.122 4.475 4.350 0.004 0.000 0.253 451 T C 0.742 175.452 174.700 0.016 0.000 1.134 451 T CA -0.286 61.819 62.100 0.009 0.000 1.051 451 T CB -0.347 68.526 68.868 0.007 0.000 0.959 451 T HN 0.342 nan 8.240 nan 0.000 0.525 452 R N 1.064 121.567 120.500 0.006 0.000 2.296 452 R HA 0.253 4.595 4.340 0.004 0.000 0.323 452 R C 1.130 177.434 176.300 0.007 0.000 1.067 452 R CA -0.342 55.761 56.100 0.005 0.000 0.946 452 R CB 0.707 31.006 30.300 -0.001 0.000 0.991 452 R HN 0.228 nan 8.270 nan 0.000 0.448 453 M N 3.498 123.106 119.600 0.014 0.000 2.149 453 M HA -0.221 4.261 4.480 0.004 0.000 0.261 453 M C 1.334 177.639 176.300 0.009 0.000 1.064 453 M CA 1.960 57.275 55.300 0.026 0.000 1.102 453 M CB -0.180 32.406 32.600 -0.023 0.000 1.369 453 M HN 0.595 nan 8.290 nan 0.000 0.408 454 D N -0.273 120.120 120.400 -0.013 0.000 2.123 454 D HA -0.237 4.406 4.640 0.004 0.000 0.196 454 D C 2.076 178.333 176.300 -0.072 0.000 0.992 454 D CA 1.630 55.614 54.000 -0.027 0.000 0.833 454 D CB -0.931 39.862 40.800 -0.012 0.000 0.954 454 D HN 0.457 nan 8.370 nan 0.000 0.455 455 L N -0.408 120.769 121.223 -0.076 0.000 2.056 455 L HA -0.138 4.204 4.340 0.004 0.000 0.207 455 L C 2.681 179.380 176.870 -0.286 0.000 1.078 455 L CA 0.399 55.144 54.840 -0.158 0.000 0.749 455 L CB -0.325 41.696 42.059 -0.065 0.000 0.901 455 L HN 0.042 nan 8.230 nan 0.000 0.433 456 L N 0.148 121.273 121.223 -0.162 0.000 2.046 456 L HA -0.227 4.115 4.340 0.004 0.000 0.208 456 L C 2.420 179.142 176.870 -0.246 0.000 1.077 456 L CA 1.782 56.517 54.840 -0.175 0.000 0.747 456 L CB -0.575 41.468 42.059 -0.027 0.000 0.896 456 L HN 0.216 nan 8.230 nan 0.000 0.432 457 E N -1.406 118.713 120.200 -0.136 0.000 2.047 457 E HA -0.178 4.175 4.350 0.004 0.000 0.191 457 E C 2.163 178.643 176.600 -0.200 0.000 0.987 457 E CA 1.383 57.719 56.400 -0.107 0.000 0.799 457 E CB -0.053 29.653 29.700 0.010 0.000 0.752 457 E HN 0.412 nan 8.360 nan 0.000 0.449 458 S N 0.590 116.122 115.700 -0.280 0.000 2.383 458 S HA -0.192 4.280 4.470 0.004 0.000 0.229 458 S C 1.987 176.161 174.600 -0.709 0.000 1.030 458 S CA 0.998 58.954 58.200 -0.407 0.000 1.002 458 S CB -0.153 62.784 63.200 -0.439 0.000 0.829 458 S HN 0.376 nan 8.310 nan 0.000 0.467 459 A N 0.319 122.606 122.820 -0.889 0.000 2.168 459 A HA 0.405 4.727 4.320 0.004 0.000 0.215 459 A C 1.666 179.105 177.584 -0.242 0.000 1.152 459 A CA 1.032 52.671 52.037 -0.664 0.000 0.716 459 A CB -0.773 17.949 19.000 -0.463 0.000 0.794 459 A HN 1.014 nan 8.150 nan 0.000 0.465 460 G N -2.331 106.329 108.800 -0.234 0.000 2.131 460 G HA2 0.036 3.999 3.960 0.004 0.000 0.201 460 G HA3 0.036 3.999 3.960 0.004 0.000 0.201 460 G C 1.065 175.844 174.900 -0.203 0.000 1.000 460 G CA 0.898 45.909 45.100 -0.148 0.000 0.680 460 G HN 1.336 nan 8.290 nan 0.000 0.514 461 A N 0.251 122.848 122.820 -0.372 0.000 1.927 461 A HA 0.154 4.476 4.320 0.004 0.000 0.220 461 A C 2.840 180.145 177.584 -0.465 0.000 1.185 461 A CA 3.007 54.657 52.037 -0.646 0.000 0.639 461 A CB -0.861 17.312 19.000 -1.379 0.000 0.820 461 A HN 1.971 nan 8.150 nan 0.000 0.451 462 A N -1.212 121.435 122.820 -0.287 0.000 2.070 462 A HA -0.110 4.213 4.320 0.004 0.000 0.220 462 A C 2.059 179.591 177.584 -0.086 0.000 1.159 462 A CA 1.807 53.872 52.037 0.046 0.000 0.656 462 A CB -0.265 18.808 19.000 0.122 0.000 0.800 462 A HN 0.590 nan 8.150 nan 0.000 0.453 463 K N -1.021 119.353 120.400 -0.044 0.000 2.348 463 K HA 0.351 4.673 4.320 0.004 0.000 0.194 463 K C 0.773 177.392 176.600 0.031 0.000 1.052 463 K CA 0.357 56.619 56.287 -0.042 0.000 1.004 463 K CB 0.275 32.754 32.500 -0.036 0.000 0.873 463 K HN 0.391 nan 8.250 nan 0.000 0.523 464 A N 1.604 124.466 122.820 0.069 0.000 2.386 464 A HA 0.035 4.358 4.320 0.004 0.000 0.248 464 A C 0.563 178.215 177.584 0.115 0.000 1.082 464 A CA -0.020 52.049 52.037 0.054 0.000 0.789 464 A CB 0.345 19.337 19.000 -0.014 0.000 1.025 464 A HN 0.220 nan 8.150 nan 0.000 0.490 465 E N -0.087 120.150 120.200 0.062 0.000 2.190 465 E HA 0.144 4.497 4.350 0.004 0.000 0.191 465 E C -0.563 176.045 176.600 0.012 0.000 0.978 465 E CA 0.627 57.063 56.400 0.061 0.000 0.839 465 E CB 0.341 30.064 29.700 0.038 0.000 0.787 465 E HN 0.375 nan 8.360 nan 0.000 0.473 466 V N 1.711 121.623 119.914 -0.003 0.000 2.686 466 V HA 0.289 4.411 4.120 0.004 0.000 0.306 466 V C -1.187 174.895 176.094 -0.019 0.000 1.065 466 V CA -0.846 61.447 62.300 -0.012 0.000 0.894 466 V CB 2.237 34.063 31.823 0.006 0.000 1.004 466 V HN 0.066 nan 8.190 nan 0.000 0.424 467 L N 6.025 127.232 121.223 -0.027 0.000 2.305 467 L HA 0.683 5.025 4.340 0.004 0.000 0.284 467 L C -0.740 176.137 176.870 0.011 0.000 1.013 467 L CA -0.035 54.795 54.840 -0.017 0.000 0.819 467 L CB 1.199 43.235 42.059 -0.037 0.000 1.227 467 L HN 0.589 nan 8.230 nan 0.000 0.417 468 I N 4.861 125.453 120.570 0.036 0.000 2.297 468 I HA 0.237 4.409 4.170 0.004 0.000 0.291 468 I C -0.094 176.063 176.117 0.066 0.000 1.033 468 I CA -0.377 60.962 61.300 0.066 0.000 1.253 468 I CB 0.867 38.928 38.000 0.101 0.000 1.396 468 I HN 0.610 nan 8.210 nan 0.000 0.476 469 N N 6.078 124.804 118.700 0.044 0.000 2.555 469 N HA 0.275 5.017 4.740 0.004 0.000 0.244 469 N C 0.263 175.778 175.510 0.008 0.000 1.114 469 N CA -0.064 53.001 53.050 0.023 0.000 0.963 469 N CB 1.258 39.747 38.487 0.003 0.000 1.276 469 N HN 0.715 nan 8.380 nan 0.000 0.510 470 A N 4.513 127.357 122.820 0.041 0.000 2.500 470 A HA 0.286 4.609 4.320 0.004 0.000 0.267 470 A C 0.759 178.322 177.584 -0.034 0.000 1.290 470 A CA -0.424 51.620 52.037 0.013 0.000 0.928 470 A CB -0.275 18.864 19.000 0.232 0.000 1.066 470 A HN 0.639 nan 8.150 nan 0.000 0.516 471 I N 1.655 122.209 120.570 -0.027 0.000 2.683 471 I HA -0.061 4.111 4.170 0.004 0.000 0.286 471 I C 1.374 177.462 176.117 -0.048 0.000 1.175 471 I CA -0.112 61.169 61.300 -0.032 0.000 1.429 471 I CB 0.810 38.789 38.000 -0.034 0.000 1.371 471 I HN 0.504 nan 8.210 nan 0.000 0.569 472 D N 4.226 124.608 120.400 -0.030 0.000 2.149 472 D HA -0.136 4.506 4.640 0.004 0.000 0.206 472 D C 0.739 177.021 176.300 -0.030 0.000 0.967 472 D CA 0.375 54.358 54.000 -0.028 0.000 0.848 472 D CB -0.517 40.290 40.800 0.012 0.000 0.998 472 D HN 0.530 nan 8.370 nan 0.000 0.474 473 D N 1.592 121.972 120.400 -0.033 0.000 2.451 473 D HA 0.015 4.657 4.640 0.004 0.000 0.254 473 D C -1.658 174.556 176.300 -0.144 0.000 1.204 473 D CA -1.312 52.650 54.000 -0.063 0.000 0.896 473 D CB 1.528 42.308 40.800 -0.034 0.000 1.136 473 D HN -0.105 nan 8.370 nan 0.000 0.499 474 P HA -0.181 nan 4.420 nan 0.000 0.215 474 P C 1.254 178.319 177.300 -0.392 0.000 1.153 474 P CA 1.055 63.766 63.100 -0.649 0.000 0.853 474 P CB 0.189 31.490 31.700 -0.665 0.000 0.788 475 Q N -0.825 118.853 119.800 -0.203 0.000 2.061 475 Q HA -0.116 4.227 4.340 0.004 0.000 0.204 475 Q C 2.208 178.170 176.000 -0.064 0.000 0.984 475 Q CA 1.840 57.579 55.803 -0.106 0.000 0.846 475 Q CB -1.829 26.868 28.738 -0.067 0.000 0.902 475 Q HN 0.261 nan 8.270 nan 0.000 0.421 476 T N 1.923 116.442 114.554 -0.059 0.000 2.708 476 T HA -0.145 4.207 4.350 0.004 0.000 0.266 476 T C 1.607 176.293 174.700 -0.023 0.000 1.037 476 T CA 1.388 63.467 62.100 -0.036 0.000 1.146 476 T CB -0.346 68.497 68.868 -0.042 0.000 0.865 476 T HN 0.350 nan 8.240 nan 0.000 0.435 477 N N 1.260 119.946 118.700 -0.023 0.000 2.104 477 N HA -0.085 4.657 4.740 0.004 0.000 0.190 477 N C 1.919 177.471 175.510 0.071 0.000 1.024 477 N CA 1.295 54.370 53.050 0.041 0.000 0.853 477 N CB -0.388 38.176 38.487 0.128 0.000 1.008 477 N HN 0.378 nan 8.380 nan 0.000 0.424 478 L N 0.724 121.985 121.223 0.063 0.000 2.056 478 L HA -0.122 4.220 4.340 0.004 0.000 0.207 478 L C 2.838 179.723 176.870 0.025 0.000 1.078 478 L CA 0.958 55.835 54.840 0.062 0.000 0.749 478 L CB -0.513 41.567 42.059 0.036 0.000 0.901 478 L HN 0.334 nan 8.230 nan 0.000 0.433 479 Q N 0.128 119.934 119.800 0.010 0.000 2.061 479 Q HA -0.284 4.058 4.340 0.004 0.000 0.204 479 Q C 2.293 178.307 176.000 0.023 0.000 0.984 479 Q CA 1.988 57.797 55.803 0.011 0.000 0.846 479 Q CB -0.135 28.605 28.738 0.004 0.000 0.902 479 Q HN 0.378 nan 8.270 nan 0.000 0.421 480 L N 0.421 121.658 121.223 0.023 0.000 2.046 480 L HA -0.136 4.206 4.340 0.004 0.000 0.208 480 L C 2.149 179.043 176.870 0.040 0.000 1.077 480 L CA 2.167 57.028 54.840 0.034 0.000 0.747 480 L CB -0.854 41.218 42.059 0.023 0.000 0.896 480 L HN 0.172 nan 8.230 nan 0.000 0.432 481 T N -0.309 114.262 114.554 0.028 0.000 2.652 481 T HA -0.166 4.187 4.350 0.004 0.000 0.267 481 T C 1.725 176.429 174.700 0.008 0.000 1.039 481 T CA 1.666 63.776 62.100 0.016 0.000 1.153 481 T CB -0.258 68.615 68.868 0.008 0.000 0.863 481 T HN 0.383 nan 8.240 nan 0.000 0.428 482 E N 0.737 120.939 120.200 0.003 0.000 2.110 482 E HA -0.050 4.303 4.350 0.004 0.000 0.193 482 E C 2.156 178.743 176.600 -0.023 0.000 0.988 482 E CA 0.764 57.153 56.400 -0.018 0.000 0.804 482 E CB -0.439 29.250 29.700 -0.018 0.000 0.745 482 E HN 0.480 nan 8.360 nan 0.000 0.458 483 M N 0.325 119.941 119.600 0.026 0.000 2.080 483 M HA -0.186 4.297 4.480 0.004 0.000 0.260 483 M C 2.241 178.600 176.300 0.099 0.000 1.068 483 M CA 1.331 56.683 55.300 0.086 0.000 1.109 483 M CB 0.018 32.698 32.600 0.134 0.000 1.342 483 M HN -0.056 nan 8.290 nan 0.000 0.405 484 V N 0.109 120.099 119.914 0.126 0.000 2.379 484 V HA -0.250 3.873 4.120 0.004 0.000 0.245 484 V C 2.343 178.477 176.094 0.066 0.000 1.044 484 V CA 1.443 63.866 62.300 0.205 0.000 1.036 484 V CB -0.722 31.194 31.823 0.154 0.000 0.664 484 V HN 0.381 nan 8.190 nan 0.000 0.453 485 K N -0.040 120.354 120.400 -0.010 0.000 2.103 485 K HA -0.238 4.084 4.320 0.004 0.000 0.207 485 K C 2.125 178.650 176.600 -0.125 0.000 1.048 485 K CA 1.729 57.982 56.287 -0.057 0.000 0.930 485 K CB -0.184 32.281 32.500 -0.058 0.000 0.716 485 K HN 0.614 nan 8.250 nan 0.000 0.444 486 E N -0.559 119.505 120.200 -0.225 0.000 2.051 486 E HA -0.134 4.218 4.350 0.004 0.000 0.189 486 E C 1.409 177.682 176.600 -0.545 0.000 0.979 486 E CA 0.994 57.139 56.400 -0.425 0.000 0.803 486 E CB 0.125 29.444 29.700 -0.635 0.000 0.761 486 E HN 0.479 nan 8.360 nan 0.000 0.451 487 H N -2.327 116.559 119.070 -0.308 0.000 2.639 487 H HA 0.173 4.731 4.556 0.004 0.000 0.267 487 H C -0.241 174.594 175.328 -0.822 0.000 0.958 487 H CA 0.148 55.815 56.048 -0.634 0.000 1.221 487 H CB 0.592 29.806 29.762 -0.913 0.000 1.446 487 H HN 0.004 nan 8.280 nan 0.000 0.512 488 F N 1.403 121.412 119.950 0.098 0.000 2.523 488 F HA 0.264 4.793 4.527 0.003 0.000 0.322 488 F C -1.918 173.837 175.800 -0.074 0.000 1.361 488 F CA -2.000 56.049 58.000 0.081 0.000 1.151 488 F CB 1.562 40.565 39.000 0.003 0.000 1.391 488 F HN 0.005 nan 8.300 nan 0.000 0.566 489 P HA -0.198 nan 4.420 nan 0.000 0.223 489 P C 1.420 178.749 177.300 0.049 0.000 1.151 489 P CA 1.525 64.657 63.100 0.053 0.000 0.787 489 P CB -0.175 31.555 31.700 0.051 0.000 0.788 490 H N -1.065 118.054 119.070 0.080 0.000 2.495 490 H HA 0.048 4.606 4.556 0.004 0.000 0.287 490 H C 0.581 175.943 175.328 0.055 0.000 1.033 490 H CA -0.060 56.024 56.048 0.059 0.000 1.307 490 H CB -0.787 29.013 29.762 0.063 0.000 1.401 490 H HN 0.061 nan 8.280 nan 0.000 0.555 491 L N 3.388 124.188 121.223 -0.705 0.000 2.369 491 L HA 0.124 4.466 4.340 0.004 0.000 0.279 491 L C -0.206 176.557 176.870 -0.179 0.000 1.108 491 L CA -0.055 54.486 54.840 -0.499 0.000 0.852 491 L CB 0.938 42.700 42.059 -0.495 0.000 1.169 491 L HN 0.184 nan 8.230 nan 0.000 0.452 492 Q N 5.474 125.216 119.800 -0.097 0.000 2.293 492 Q HA 0.331 4.673 4.340 0.004 0.000 0.263 492 Q C -0.736 175.240 176.000 -0.040 0.000 1.002 492 Q CA 0.270 56.044 55.803 -0.048 0.000 0.910 492 Q CB 1.011 29.737 28.738 -0.020 0.000 1.185 492 Q HN 0.575 nan 8.270 nan 0.000 0.401 493 I N 4.173 124.722 120.570 -0.034 0.000 2.315 493 I HA 0.269 4.441 4.170 0.004 0.000 0.291 493 I C -0.378 175.729 176.117 -0.016 0.000 1.006 493 I CA -0.445 60.840 61.300 -0.025 0.000 1.265 493 I CB 0.802 38.785 38.000 -0.029 0.000 1.387 493 I HN 0.453 nan 8.210 nan 0.000 0.475 494 I N 6.217 126.788 120.570 0.001 0.000 2.354 494 I HA 0.573 4.745 4.170 0.004 0.000 0.292 494 I C 0.045 176.172 176.117 0.018 0.000 0.989 494 I CA -0.121 61.189 61.300 0.017 0.000 1.188 494 I CB 1.637 39.663 38.000 0.043 0.000 1.342 494 I HN 0.612 nan 8.210 nan 0.000 0.457 495 A N 6.458 129.274 122.820 -0.007 0.000 2.343 495 A HA 0.578 4.900 4.320 0.004 0.000 0.308 495 A C -0.247 177.293 177.584 -0.074 0.000 1.092 495 A CA -0.745 51.262 52.037 -0.050 0.000 0.751 495 A CB 1.046 19.985 19.000 -0.103 0.000 1.203 495 A HN 0.755 nan 8.150 nan 0.000 0.452 496 R N 1.818 122.233 120.500 -0.141 0.000 2.522 496 R HA 0.372 4.714 4.340 0.004 0.000 0.284 496 R C -0.145 175.983 176.300 -0.286 0.000 1.032 496 R CA 0.654 56.558 56.100 -0.327 0.000 1.049 496 R CB 0.362 30.222 30.300 -0.733 0.000 0.956 496 R HN 0.857 nan 8.270 nan 0.000 0.422 497 A N 4.527 127.208 122.820 -0.233 0.000 2.331 497 A HA 0.261 4.583 4.320 0.004 0.000 0.320 497 A C 0.754 178.354 177.584 0.027 0.000 1.138 497 A CA -0.765 51.105 52.037 -0.278 0.000 0.790 497 A CB 1.439 20.335 19.000 -0.174 0.000 1.206 497 A HN 1.054 nan 8.150 nan 0.000 0.470 498 R N 0.595 121.278 120.500 0.306 0.000 2.081 498 R HA -0.099 4.243 4.340 0.004 0.000 0.235 498 R C -0.153 176.226 176.300 0.131 0.000 1.131 498 R CA 2.373 58.580 56.100 0.178 0.000 0.960 498 R CB 0.043 30.433 30.300 0.151 0.000 0.856 498 R HN 0.961 nan 8.270 nan 0.000 0.436 499 D N -4.411 116.078 120.400 0.149 0.000 2.865 499 D HA 0.004 4.647 4.640 0.004 0.000 0.343 499 D C 0.581 176.945 176.300 0.107 0.000 1.372 499 D CA -0.552 53.512 54.000 0.107 0.000 0.862 499 D CB 0.664 41.517 40.800 0.089 0.000 1.425 499 D HN -0.237 nan 8.370 nan 0.000 0.501 500 V N -0.283 119.664 119.914 0.056 0.000 2.407 500 V HA -0.156 3.966 4.120 0.004 0.000 0.248 500 V C 1.852 178.018 176.094 0.120 0.000 1.055 500 V CA 2.318 64.639 62.300 0.036 0.000 1.049 500 V CB -0.896 30.909 31.823 -0.031 0.000 0.662 500 V HN 0.733 nan 8.190 nan 0.000 0.455 501 D N -0.607 119.854 120.400 0.103 0.000 2.117 501 D HA -0.242 4.400 4.640 0.004 0.000 0.197 501 D C 2.151 178.548 176.300 0.162 0.000 0.987 501 D CA 1.703 55.767 54.000 0.107 0.000 0.829 501 D CB -0.230 40.612 40.800 0.071 0.000 0.961 501 D HN 0.644 nan 8.370 nan 0.000 0.460 502 H N -1.797 117.305 119.070 0.053 0.000 2.389 502 H HA -0.180 4.378 4.556 0.003 0.000 0.299 502 H C 1.933 177.290 175.328 0.048 0.000 1.081 502 H CA 1.149 57.217 56.048 0.035 0.000 1.345 502 H CB -0.080 29.694 29.762 0.019 0.000 1.393 502 H HN 0.291 nan 8.280 nan 0.000 0.520 503 Y N 1.269 121.534 120.300 -0.059 0.000 2.128 503 Y HA -0.241 4.312 4.550 0.005 0.000 0.284 503 Y C 2.368 178.223 175.900 -0.075 0.000 1.154 503 Y CA 1.860 59.883 58.100 -0.128 0.000 1.149 503 Y CB -0.476 37.920 38.460 -0.106 0.000 0.976 503 Y HN 0.167 nan 8.280 nan 0.000 0.505 504 I N 0.200 120.864 120.570 0.156 0.000 2.226 504 I HA -0.332 3.840 4.170 0.004 0.000 0.245 504 I C 2.384 178.483 176.117 -0.029 0.000 1.100 504 I CA 1.629 62.971 61.300 0.069 0.000 1.374 504 I CB -0.362 37.709 38.000 0.119 0.000 1.057 504 I HN 0.262 nan 8.210 nan 0.000 0.413 505 R N 0.404 120.910 120.500 0.009 0.000 2.090 505 R HA -0.070 4.272 4.340 0.004 0.000 0.228 505 R C 2.278 178.555 176.300 -0.038 0.000 1.110 505 R CA 0.995 57.101 56.100 0.010 0.000 0.973 505 R CB -0.336 30.004 30.300 0.067 0.000 0.869 505 R HN 0.328 nan 8.270 nan 0.000 0.440 506 L N 0.495 121.659 121.223 -0.099 0.000 2.027 506 L HA -0.146 4.196 4.340 0.004 0.000 0.206 506 L C 2.703 179.453 176.870 -0.199 0.000 1.074 506 L CA 1.235 55.977 54.840 -0.165 0.000 0.745 506 L CB -0.368 41.523 42.059 -0.278 0.000 0.898 506 L HN 0.107 nan 8.230 nan 0.000 0.433 507 R N 0.137 120.461 120.500 -0.294 0.000 2.094 507 R HA -0.220 4.122 4.340 0.004 0.000 0.239 507 R C 2.185 178.406 176.300 -0.132 0.000 1.137 507 R CA 1.679 57.627 56.100 -0.252 0.000 0.943 507 R CB -0.741 29.374 30.300 -0.307 0.000 0.850 507 R HN 0.525 nan 8.270 nan 0.000 0.433 508 Q N -0.261 119.482 119.800 -0.095 0.000 2.226 508 Q HA -0.053 4.289 4.340 0.004 0.000 0.204 508 Q C 1.796 177.764 176.000 -0.052 0.000 0.975 508 Q CA 1.453 57.223 55.803 -0.055 0.000 0.866 508 Q CB -0.031 28.688 28.738 -0.032 0.000 0.915 508 Q HN 0.361 nan 8.270 nan 0.000 0.440 509 A N -0.507 122.277 122.820 -0.061 0.000 2.208 509 A HA 0.285 4.607 4.320 0.004 0.000 0.209 509 A C 1.503 179.051 177.584 -0.059 0.000 1.161 509 A CA 0.862 52.867 52.037 -0.053 0.000 0.782 509 A CB -0.093 18.880 19.000 -0.046 0.000 0.816 509 A HN 0.451 nan 8.150 nan 0.000 0.477 510 G N -1.859 106.898 108.800 -0.071 0.000 2.179 510 G HA2 -0.184 3.778 3.960 0.004 0.000 0.220 510 G HA3 -0.184 3.778 3.960 0.004 0.000 0.220 510 G C 0.164 175.020 174.900 -0.074 0.000 0.990 510 G CA -0.051 45.011 45.100 -0.064 0.000 0.646 510 G HN 0.735 nan 8.290 nan 0.000 0.517 511 V N 1.440 121.295 119.914 -0.097 0.000 2.529 511 V HA 0.187 4.309 4.120 0.004 0.000 0.292 511 V C 1.604 177.622 176.094 -0.126 0.000 1.028 511 V CA 1.034 63.268 62.300 -0.109 0.000 1.074 511 V CB 1.228 32.972 31.823 -0.132 0.000 0.958 511 V HN 0.507 nan 8.190 nan 0.000 0.481 512 E N 3.107 123.255 120.200 -0.087 0.000 2.046 512 E HA -0.048 4.304 4.350 0.004 0.000 0.190 512 E C 0.310 176.863 176.600 -0.078 0.000 0.982 512 E CA 0.946 57.304 56.400 -0.070 0.000 0.800 512 E CB 0.136 29.816 29.700 -0.034 0.000 0.756 512 E HN 0.588 nan 8.360 nan 0.000 0.449 513 K N 1.034 121.396 120.400 -0.064 0.000 2.920 513 K HA 0.258 4.581 4.320 0.004 0.000 0.175 513 K C -2.731 173.857 176.600 -0.020 0.000 1.099 513 K CA -1.363 54.912 56.287 -0.020 0.000 0.939 513 K CB 1.808 34.327 32.500 0.031 0.000 1.148 513 K HN -0.050 nan 8.250 nan 0.000 0.613 514 P HA -0.008 nan 4.420 nan 0.000 0.268 514 P C -0.646 176.724 177.300 0.115 0.000 1.205 514 P CA -0.260 62.788 63.100 -0.087 0.000 0.771 514 P CB 0.702 32.221 31.700 -0.303 0.000 0.858 515 E N 2.667 122.927 120.200 0.100 0.000 2.063 515 E HA 0.200 4.552 4.350 0.004 0.000 0.265 515 E C -0.613 176.074 176.600 0.145 0.000 0.919 515 E CA -0.694 55.803 56.400 0.162 0.000 0.756 515 E CB 0.087 29.923 29.700 0.227 0.000 1.120 515 E HN 0.110 nan 8.360 nan 0.000 0.414 516 R N 3.147 123.721 120.500 0.124 0.000 2.513 516 R HA -0.065 4.277 4.340 0.004 0.000 0.333 516 R C 1.292 177.718 176.300 0.210 0.000 0.925 516 R CA 0.701 56.871 56.100 0.116 0.000 1.072 516 R CB 0.093 30.420 30.300 0.045 0.000 0.914 516 R HN 0.692 nan 8.270 nan 0.000 0.408 517 E N 1.515 121.823 120.200 0.180 0.000 2.171 517 E HA -0.266 4.086 4.350 0.004 0.000 0.197 517 E C 0.745 177.512 176.600 0.279 0.000 0.997 517 E CA 1.875 58.454 56.400 0.299 0.000 0.810 517 E CB -0.042 29.759 29.700 0.168 0.000 0.738 517 E HN 0.683 nan 8.360 nan 0.000 0.467 518 T N -2.996 111.687 114.554 0.215 0.000 3.040 518 T HA 0.087 4.439 4.350 0.004 0.000 0.250 518 T C 1.345 176.146 174.700 0.168 0.000 1.058 518 T CA -0.251 61.948 62.100 0.165 0.000 0.988 518 T CB -0.347 68.591 68.868 0.117 0.000 0.993 518 T HN 0.247 nan 8.240 nan 0.000 0.519 519 F N 2.966 122.961 119.950 0.075 0.000 2.046 519 F HA -0.082 4.447 4.527 0.003 0.000 0.297 519 F C 2.348 178.185 175.800 0.061 0.000 1.123 519 F CA 1.661 59.700 58.000 0.065 0.000 1.199 519 F CB -0.010 39.025 39.000 0.058 0.000 0.972 519 F HN 0.033 nan 8.300 nan 0.000 0.474 520 E N 0.241 120.491 120.200 0.083 0.000 2.150 520 E HA -0.126 4.226 4.350 0.004 0.000 0.193 520 E C 2.441 178.996 176.600 -0.074 0.000 0.985 520 E CA 1.048 57.429 56.400 -0.032 0.000 0.814 520 E CB -1.025 28.732 29.700 0.094 0.000 0.752 520 E HN 0.588 nan 8.360 nan 0.000 0.466 521 G N 1.251 110.036 108.800 -0.025 0.000 2.408 521 G HA2 -0.165 3.797 3.960 0.004 0.000 0.217 521 G HA3 -0.165 3.797 3.960 0.004 0.000 0.217 521 G C 1.731 176.586 174.900 -0.076 0.000 1.150 521 G CA 0.966 46.045 45.100 -0.035 0.000 0.776 521 G HN 0.378 nan 8.290 nan 0.000 0.542 522 A N 0.057 122.814 122.820 -0.105 0.000 2.015 522 A HA 0.170 4.492 4.320 0.004 0.000 0.219 522 A C 2.280 179.737 177.584 -0.211 0.000 1.163 522 A CA 1.116 53.072 52.037 -0.135 0.000 0.646 522 A CB -0.271 18.657 19.000 -0.119 0.000 0.806 522 A HN 0.314 nan 8.150 nan 0.000 0.448 523 L N -0.236 120.812 121.223 -0.291 0.000 2.109 523 L HA -0.055 4.287 4.340 0.004 0.000 0.207 523 L C 2.285 179.045 176.870 -0.184 0.000 1.086 523 L CA 1.771 56.430 54.840 -0.302 0.000 0.760 523 L CB -0.492 41.345 42.059 -0.370 0.000 0.910 523 L HN 0.308 nan 8.230 nan 0.000 0.437 524 K N -1.335 118.986 120.400 -0.132 0.000 2.026 524 K HA -0.142 4.181 4.320 0.004 0.000 0.208 524 K C 1.895 178.445 176.600 -0.084 0.000 1.048 524 K CA 1.857 58.092 56.287 -0.088 0.000 0.929 524 K CB -0.318 32.146 32.500 -0.061 0.000 0.713 524 K HN 0.332 nan 8.250 nan 0.000 0.439 525 T N 0.300 114.803 114.554 -0.086 0.000 2.699 525 T HA -0.176 4.176 4.350 0.004 0.000 0.268 525 T C 1.891 176.536 174.700 -0.092 0.000 1.036 525 T CA 1.638 63.692 62.100 -0.077 0.000 1.147 525 T CB -0.613 68.215 68.868 -0.068 0.000 0.862 525 T HN 0.487 nan 8.240 nan 0.000 0.446 526 G N 1.138 109.860 108.800 -0.129 0.000 2.418 526 G HA2 -0.197 3.765 3.960 0.004 0.000 0.217 526 G HA3 -0.197 3.765 3.960 0.004 0.000 0.217 526 G C 1.707 176.536 174.900 -0.118 0.000 1.158 526 G CA 0.404 45.417 45.100 -0.144 0.000 0.771 526 G HN 0.418 nan 8.290 nan 0.000 0.545 527 R N -0.243 120.190 120.500 -0.111 0.000 2.083 527 R HA 0.023 4.365 4.340 0.004 0.000 0.237 527 R C 2.607 178.871 176.300 -0.059 0.000 1.137 527 R CA 1.111 57.162 56.100 -0.082 0.000 0.951 527 R CB -0.495 29.760 30.300 -0.074 0.000 0.851 527 R HN 0.315 nan 8.270 nan 0.000 0.434 528 L N -0.010 121.179 121.223 -0.056 0.000 2.083 528 L HA -0.171 4.172 4.340 0.004 0.000 0.209 528 L C 2.674 179.520 176.870 -0.040 0.000 1.083 528 L CA 1.177 55.992 54.840 -0.041 0.000 0.752 528 L CB -0.651 41.385 42.059 -0.038 0.000 0.899 528 L HN 0.298 nan 8.230 nan 0.000 0.433 529 A N 0.393 123.183 122.820 -0.049 0.000 1.858 529 A HA -0.197 4.125 4.320 0.004 0.000 0.216 529 A C 2.235 179.794 177.584 -0.041 0.000 1.190 529 A CA 1.483 53.493 52.037 -0.045 0.000 0.617 529 A CB -0.761 18.205 19.000 -0.056 0.000 0.827 529 A HN 0.342 nan 8.150 nan 0.000 0.443 530 L N -0.734 120.460 121.223 -0.049 0.000 2.042 530 L HA -0.249 4.094 4.340 0.004 0.000 0.210 530 L C 2.653 179.506 176.870 -0.029 0.000 1.076 530 L CA 1.833 56.649 54.840 -0.041 0.000 0.749 530 L CB -0.632 41.397 42.059 -0.050 0.000 0.893 530 L HN 0.495 nan 8.230 nan 0.000 0.432 531 E N -0.126 120.057 120.200 -0.027 0.000 2.058 531 E HA -0.218 4.134 4.350 0.004 0.000 0.194 531 E C 2.222 178.813 176.600 -0.015 0.000 0.997 531 E CA 1.723 58.113 56.400 -0.018 0.000 0.801 531 E CB -0.121 29.570 29.700 -0.016 0.000 0.746 531 E HN 0.533 nan 8.360 nan 0.000 0.450 532 S N 0.516 116.205 115.700 -0.018 0.000 2.515 532 S HA -0.022 4.450 4.470 0.004 0.000 0.231 532 S C 1.729 176.320 174.600 -0.014 0.000 0.987 532 S CA 0.454 58.645 58.200 -0.015 0.000 0.936 532 S CB -0.169 63.022 63.200 -0.016 0.000 0.766 532 S HN 0.152 nan 8.310 nan 0.000 0.528 533 L N 0.927 122.140 121.223 -0.016 0.000 2.612 533 L HA 0.363 4.705 4.340 0.004 0.000 0.230 533 L C 1.804 178.667 176.870 -0.010 0.000 1.140 533 L CA 0.365 55.197 54.840 -0.014 0.000 0.896 533 L CB -0.404 41.645 42.059 -0.017 0.000 1.065 533 L HN 0.595 nan 8.230 nan 0.000 0.447 534 G N -0.351 108.443 108.800 -0.009 0.000 2.195 534 G HA2 -0.221 3.741 3.960 0.004 0.000 0.224 534 G HA3 -0.221 3.741 3.960 0.004 0.000 0.224 534 G C 0.242 175.140 174.900 -0.002 0.000 0.990 534 G CA -0.553 44.544 45.100 -0.005 0.000 0.639 534 G HN 0.128 nan 8.290 nan 0.000 0.514 535 L N 1.708 122.928 121.223 -0.005 0.000 2.456 535 L HA 0.458 4.801 4.340 0.004 0.000 0.272 535 L C 1.604 178.478 176.870 0.005 0.000 1.189 535 L CA 0.391 55.229 54.840 -0.002 0.000 0.846 535 L CB 0.614 42.666 42.059 -0.012 0.000 1.111 535 L HN 0.283 nan 8.230 nan 0.000 0.475 536 G N 3.570 112.382 108.800 0.019 0.000 2.432 536 G HA2 0.101 4.064 3.960 0.004 0.000 0.239 536 G HA3 0.101 4.064 3.960 0.004 0.000 0.239 536 G C -1.837 173.087 174.900 0.039 0.000 1.291 536 G CA -0.858 44.264 45.100 0.036 0.000 0.863 536 G HN 0.541 nan 8.290 nan 0.000 0.560 537 P HA -0.214 nan 4.420 nan 0.000 0.216 537 P C 1.237 178.584 177.300 0.078 0.000 1.150 537 P CA 1.075 64.201 63.100 0.044 0.000 0.843 537 P CB 0.091 31.816 31.700 0.043 0.000 0.787 538 Y N 0.637 120.923 120.300 -0.023 0.000 2.176 538 Y HA -0.110 4.443 4.550 0.004 0.000 0.291 538 Y C 2.473 178.362 175.900 -0.018 0.000 1.122 538 Y CA 1.544 59.631 58.100 -0.022 0.000 1.128 538 Y CB -0.728 37.719 38.460 -0.022 0.000 1.005 538 Y HN -0.080 nan 8.280 nan 0.000 0.509 539 E N 0.158 120.331 120.200 -0.045 0.000 2.097 539 E HA -0.262 4.091 4.350 0.004 0.000 0.196 539 E C 2.229 178.746 176.600 -0.138 0.000 1.000 539 E CA 1.350 57.669 56.400 -0.135 0.000 0.804 539 E CB -0.348 29.341 29.700 -0.019 0.000 0.740 539 E HN 0.565 nan 8.360 nan 0.000 0.454 540 A N 1.592 124.364 122.820 -0.080 0.000 1.902 540 A HA -0.200 4.122 4.320 0.004 0.000 0.217 540 A C 2.236 179.761 177.584 -0.097 0.000 1.181 540 A CA 1.448 53.441 52.037 -0.074 0.000 0.623 540 A CB -0.601 18.371 19.000 -0.047 0.000 0.818 540 A HN 0.154 nan 8.150 nan 0.000 0.443 541 R N 0.278 120.710 120.500 -0.113 0.000 2.081 541 R HA -0.146 4.196 4.340 0.004 0.000 0.235 541 R C 1.824 178.033 176.300 -0.151 0.000 1.131 541 R CA 1.957 57.989 56.100 -0.113 0.000 0.960 541 R CB -0.464 29.785 30.300 -0.085 0.000 0.856 541 R HN 0.740 nan 8.270 nan 0.000 0.436 542 E N -0.251 119.795 120.200 -0.257 0.000 2.106 542 E HA -0.160 4.192 4.350 0.004 0.000 0.192 542 E C 2.227 178.748 176.600 -0.132 0.000 0.984 542 E CA 0.836 57.090 56.400 -0.243 0.000 0.806 542 E CB -0.074 29.413 29.700 -0.355 0.000 0.750 542 E HN 0.346 nan 8.360 nan 0.000 0.458 543 R N 0.521 120.961 120.500 -0.101 0.000 2.092 543 R HA -0.061 4.281 4.340 0.004 0.000 0.231 543 R C 2.373 178.681 176.300 0.012 0.000 1.119 543 R CA 1.051 57.131 56.100 -0.034 0.000 0.970 543 R CB -0.265 30.015 30.300 -0.033 0.000 0.864 543 R HN 0.088 nan 8.270 nan 0.000 0.440 544 A N 1.421 124.228 122.820 -0.023 0.000 1.972 544 A HA -0.172 4.151 4.320 0.004 0.000 0.219 544 A C 1.409 179.034 177.584 0.069 0.000 1.169 544 A CA 1.614 53.657 52.037 0.010 0.000 0.635 544 A CB -0.230 18.738 19.000 -0.053 0.000 0.810 544 A HN 0.161 nan 8.150 nan 0.000 0.446 545 D N -0.252 120.152 120.400 0.006 0.000 2.097 545 D HA -0.084 4.558 4.640 0.004 0.000 0.197 545 D C 2.092 178.364 176.300 -0.047 0.000 0.984 545 D CA 1.349 55.344 54.000 -0.008 0.000 0.826 545 D CB -0.509 40.258 40.800 -0.054 0.000 0.973 545 D HN 0.202 nan 8.370 nan 0.000 0.460 546 V N 0.935 120.803 119.914 -0.076 0.000 2.287 546 V HA -0.241 3.881 4.120 0.004 0.000 0.248 546 V C 2.192 178.214 176.094 -0.120 0.000 1.053 546 V CA 1.404 63.590 62.300 -0.191 0.000 1.027 546 V CB -0.574 31.193 31.823 -0.093 0.000 0.646 546 V HN 0.101 nan 8.190 nan 0.000 0.447 547 F N 1.001 120.936 119.950 -0.025 0.000 2.102 547 F HA -0.170 4.358 4.527 0.002 0.000 0.298 547 F C 2.668 178.540 175.800 0.120 0.000 1.105 547 F CA 2.188 60.241 58.000 0.088 0.000 1.239 547 F CB -0.297 38.741 39.000 0.064 0.000 0.991 547 F HN -0.083 nan 8.300 nan 0.000 0.474 548 R N 0.416 121.071 120.500 0.258 0.000 2.083 548 R HA -0.246 4.097 4.340 0.004 0.000 0.237 548 R C 2.546 178.877 176.300 0.051 0.000 1.137 548 R CA 1.985 58.242 56.100 0.263 0.000 0.951 548 R CB -0.466 30.005 30.300 0.286 0.000 0.851 548 R HN 0.296 nan 8.270 nan 0.000 0.434 549 R N -0.564 119.898 120.500 -0.063 0.000 2.080 549 R HA -0.158 4.184 4.340 0.004 0.000 0.236 549 R C 2.147 178.389 176.300 -0.097 0.000 1.137 549 R CA 2.100 58.117 56.100 -0.138 0.000 0.943 549 R CB -0.396 29.736 30.300 -0.280 0.000 0.846 549 R HN 0.173 nan 8.270 nan 0.000 0.431 550 F N 1.413 121.305 119.950 -0.097 0.000 2.134 550 F HA -0.168 4.361 4.527 0.004 0.000 0.299 550 F C 2.377 178.061 175.800 -0.194 0.000 1.097 550 F CA 1.243 59.160 58.000 -0.139 0.000 1.264 550 F CB -1.192 37.718 39.000 -0.151 0.000 1.001 550 F HN 0.250 nan 8.300 nan 0.000 0.479 551 N N 1.096 119.712 118.700 -0.139 0.000 2.069 551 N HA -0.210 4.532 4.740 0.004 0.000 0.191 551 N C 1.971 177.398 175.510 -0.138 0.000 1.031 551 N CA 1.669 54.593 53.050 -0.211 0.000 0.852 551 N CB -0.253 38.048 38.487 -0.310 0.000 1.018 551 N HN 0.281 nan 8.380 nan 0.000 0.423 552 I N 1.096 121.596 120.570 -0.118 0.000 2.252 552 I HA -0.255 3.917 4.170 0.004 0.000 0.245 552 I C 2.789 178.887 176.117 -0.031 0.000 1.102 552 I CA 0.877 62.105 61.300 -0.120 0.000 1.385 552 I CB -0.438 37.516 38.000 -0.076 0.000 1.064 552 I HN 0.329 nan 8.210 nan 0.000 0.414 553 Q N 1.224 121.034 119.800 0.017 0.000 2.096 553 Q HA -0.306 4.036 4.340 0.004 0.000 0.204 553 Q C 2.323 178.344 176.000 0.036 0.000 0.982 553 Q CA 2.327 58.161 55.803 0.050 0.000 0.850 553 Q CB -0.205 28.599 28.738 0.110 0.000 0.901 553 Q HN 0.487 nan 8.270 nan 0.000 0.422 554 M N -0.245 119.369 119.600 0.024 0.000 2.132 554 M HA -0.115 4.367 4.480 0.004 0.000 0.263 554 M C 1.857 178.176 176.300 0.032 0.000 1.065 554 M CA 1.279 56.597 55.300 0.031 0.000 1.122 554 M CB 0.074 32.706 32.600 0.053 0.000 1.365 554 M HN 0.112 nan 8.290 nan 0.000 0.411 555 V N 0.520 120.426 119.914 -0.013 0.000 2.667 555 V HA -0.160 3.962 4.120 0.004 0.000 0.252 555 V C 2.336 178.476 176.094 0.078 0.000 1.065 555 V CA 1.444 63.733 62.300 -0.017 0.000 1.083 555 V CB -0.757 30.942 31.823 -0.206 0.000 0.692 555 V HN 0.468 nan 8.190 nan 0.000 0.468 556 E N 0.093 120.339 120.200 0.077 0.000 2.106 556 E HA -0.191 4.161 4.350 0.004 0.000 0.192 556 E C 2.167 178.805 176.600 0.064 0.000 0.984 556 E CA 1.035 57.492 56.400 0.095 0.000 0.806 556 E CB -0.026 29.719 29.700 0.075 0.000 0.750 556 E HN 0.689 nan 8.360 nan 0.000 0.458 557 E N -0.128 120.102 120.200 0.050 0.000 2.216 557 E HA -0.001 4.351 4.350 0.004 0.000 0.192 557 E C 2.041 178.667 176.600 0.043 0.000 0.988 557 E CA 0.365 56.789 56.400 0.039 0.000 0.834 557 E CB 0.012 29.729 29.700 0.029 0.000 0.772 557 E HN 0.209 nan 8.360 nan 0.000 0.479 558 M N 0.205 119.838 119.600 0.055 0.000 2.319 558 M HA -0.051 4.431 4.480 0.004 0.000 0.265 558 M C 2.310 178.643 176.300 0.055 0.000 1.068 558 M CA 0.830 56.163 55.300 0.056 0.000 1.118 558 M CB 0.005 32.641 32.600 0.059 0.000 1.395 558 M HN 0.083 nan 8.290 nan 0.000 0.435 559 A N -0.114 122.745 122.820 0.066 0.000 2.066 559 A HA -0.053 4.269 4.320 0.004 0.000 0.218 559 A C 1.939 179.541 177.584 0.029 0.000 1.157 559 A CA 1.101 53.171 52.037 0.055 0.000 0.670 559 A CB -0.502 18.537 19.000 0.064 0.000 0.804 559 A HN 0.474 nan 8.150 nan 0.000 0.453 560 M N -0.612 119.005 119.600 0.028 0.000 2.561 560 M HA 0.113 4.596 4.480 0.004 0.000 0.238 560 M C -0.244 176.066 176.300 0.016 0.000 1.131 560 M CA 0.207 55.517 55.300 0.018 0.000 1.046 560 M CB 0.436 33.046 32.600 0.017 0.000 1.532 560 M HN 0.106 nan 8.290 nan 0.000 0.497 561 V N -0.339 119.588 119.914 0.021 0.000 3.096 561 V HA 0.225 4.348 4.120 0.004 0.000 0.319 561 V C 0.179 176.284 176.094 0.018 0.000 1.103 561 V CA -1.153 61.159 62.300 0.019 0.000 1.016 561 V CB 1.961 33.797 31.823 0.023 0.000 1.090 561 V HN 0.080 nan 8.190 nan 0.000 0.449 562 E N 1.282 121.492 120.200 0.015 0.000 2.415 562 E HA 0.034 4.386 4.350 0.004 0.000 0.262 562 E C -0.221 176.389 176.600 0.016 0.000 1.038 562 E CA -0.073 56.335 56.400 0.013 0.000 0.921 562 E CB 0.265 29.971 29.700 0.010 0.000 0.950 562 E HN 0.467 nan 8.360 nan 0.000 0.438 563 N N 4.222 122.931 118.700 0.015 0.000 3.254 563 N HA 0.008 4.750 4.740 0.004 0.000 0.308 563 N C -1.204 174.315 175.510 0.015 0.000 1.281 563 N CA 0.307 53.367 53.050 0.017 0.000 1.212 563 N CB -0.247 38.250 38.487 0.016 0.000 1.478 563 N HN 0.389 nan 8.380 nan 0.000 0.548 564 D N -2.277 118.133 120.400 0.015 0.000 2.732 564 D HA 0.167 4.809 4.640 0.004 0.000 0.229 564 D C 0.333 176.642 176.300 0.015 0.000 1.152 564 D CA -0.451 53.557 54.000 0.013 0.000 0.854 564 D CB 1.122 41.929 40.800 0.011 0.000 1.590 564 D HN -0.177 nan 8.370 nan 0.000 0.468 565 T N 1.413 115.973 114.554 0.011 0.000 2.759 565 T HA -0.171 4.181 4.350 0.004 0.000 0.269 565 T C 1.523 176.231 174.700 0.015 0.000 1.042 565 T CA 1.635 63.740 62.100 0.009 0.000 1.140 565 T CB -0.060 68.810 68.868 0.003 0.000 0.864 565 T HN 0.434 nan 8.240 nan 0.000 0.455 566 K N 1.714 122.124 120.400 0.016 0.000 2.026 566 K HA 0.113 4.435 4.320 0.004 0.000 0.208 566 K C 2.624 179.240 176.600 0.025 0.000 1.048 566 K CA 1.215 57.514 56.287 0.020 0.000 0.929 566 K CB -0.537 31.973 32.500 0.016 0.000 0.713 566 K HN 0.278 nan 8.250 nan 0.000 0.439 567 A N 1.482 124.315 122.820 0.023 0.000 1.908 567 A HA -0.211 4.112 4.320 0.004 0.000 0.218 567 A C 2.111 179.716 177.584 0.034 0.000 1.181 567 A CA 1.724 53.776 52.037 0.025 0.000 0.627 567 A CB -0.448 18.565 19.000 0.020 0.000 0.818 567 A HN 0.211 nan 8.150 nan 0.000 0.445 568 R N -0.769 119.752 120.500 0.035 0.000 2.073 568 R HA 0.020 4.362 4.340 0.004 0.000 0.229 568 R C 2.496 178.839 176.300 0.072 0.000 1.120 568 R CA 1.114 57.241 56.100 0.046 0.000 0.967 568 R CB -0.435 29.883 30.300 0.030 0.000 0.862 568 R HN 0.495 nan 8.270 nan 0.000 0.436 569 A N 1.222 124.078 122.820 0.061 0.000 1.972 569 A HA -0.092 4.231 4.320 0.004 0.000 0.219 569 A C 2.327 179.987 177.584 0.126 0.000 1.169 569 A CA 1.602 53.697 52.037 0.096 0.000 0.635 569 A CB -0.559 18.475 19.000 0.057 0.000 0.810 569 A HN 0.396 nan 8.150 nan 0.000 0.446 570 A N -0.489 122.376 122.820 0.076 0.000 1.877 570 A HA -0.021 4.301 4.320 0.004 0.000 0.216 570 A C 2.226 179.841 177.584 0.052 0.000 1.186 570 A CA 1.780 53.850 52.037 0.055 0.000 0.620 570 A CB -1.029 17.991 19.000 0.034 0.000 0.822 570 A HN 0.381 nan 8.150 nan 0.000 0.443 571 V N -1.272 118.678 119.914 0.060 0.000 2.287 571 V HA -0.305 3.817 4.120 0.004 0.000 0.248 571 V C 2.375 178.508 176.094 0.064 0.000 1.053 571 V CA 2.279 64.610 62.300 0.051 0.000 1.027 571 V CB -1.007 30.848 31.823 0.054 0.000 0.646 571 V HN 0.720 nan 8.190 nan 0.000 0.447 572 Y N 1.037 121.329 120.300 -0.013 0.000 2.165 572 Y HA -0.285 4.265 4.550 0.001 0.000 0.286 572 Y C 2.486 178.372 175.900 -0.024 0.000 1.155 572 Y CA 2.151 60.240 58.100 -0.019 0.000 1.164 572 Y CB -0.174 38.280 38.460 -0.009 0.000 0.978 572 Y HN 0.164 nan 8.280 nan 0.000 0.513 573 K N -0.431 119.947 120.400 -0.038 0.000 2.062 573 K HA -0.073 4.250 4.320 0.004 0.000 0.205 573 K C 2.294 178.813 176.600 -0.135 0.000 1.051 573 K CA 1.214 57.432 56.287 -0.117 0.000 0.941 573 K CB -0.086 32.416 32.500 0.004 0.000 0.719 573 K HN 0.228 nan 8.250 nan 0.000 0.440 574 R N -0.232 120.219 120.500 -0.082 0.000 2.066 574 R HA -0.070 4.272 4.340 0.004 0.000 0.232 574 R C 2.219 178.452 176.300 -0.112 0.000 1.131 574 R CA 1.781 57.835 56.100 -0.077 0.000 0.955 574 R CB -0.411 29.864 30.300 -0.041 0.000 0.851 574 R HN 0.172 nan 8.270 nan 0.000 0.432 575 T N 0.655 115.132 114.554 -0.129 0.000 2.777 575 T HA -0.101 4.251 4.350 0.004 0.000 0.266 575 T C 1.539 176.101 174.700 -0.230 0.000 1.040 575 T CA 1.575 63.585 62.100 -0.150 0.000 1.141 575 T CB -0.140 68.661 68.868 -0.112 0.000 0.868 575 T HN 0.321 nan 8.240 nan 0.000 0.444 576 S N 0.879 116.380 115.700 -0.331 0.000 2.815 576 S HA 0.687 5.159 4.470 0.004 0.000 0.254 576 S C 0.140 174.585 174.600 -0.258 0.000 1.197 576 S CA -0.256 57.725 58.200 -0.364 0.000 1.216 576 S CB -0.531 62.334 63.200 -0.559 0.000 0.871 576 S HN 0.578 nan 8.310 nan 0.000 0.473 1002 I N 3.584 124.173 120.570 0.032 0.000 2.339 1002 I HA 0.502 4.675 4.170 0.004 0.000 0.290 1002 I C -0.483 175.613 176.117 -0.036 0.000 0.994 1002 I CA -0.914 60.335 61.300 -0.086 0.000 1.191 1002 I CB 1.791 39.713 38.000 -0.129 0.000 1.343 1002 I HN 0.554 nan 8.210 nan 0.000 0.458 1003 L N 8.600 129.806 121.223 -0.028 0.000 2.276 1003 L HA 0.526 4.868 4.340 0.004 0.000 0.286 1003 L C -0.493 176.394 176.870 0.028 0.000 1.024 1003 L CA -0.052 54.809 54.840 0.034 0.000 0.826 1003 L CB 0.670 42.791 42.059 0.102 0.000 1.211 1003 L HN 0.407 nan 8.230 nan 0.000 0.422 1004 I N 6.391 126.983 120.570 0.036 0.000 2.322 1004 I HA 0.206 4.378 4.170 0.004 0.000 0.292 1004 I C -0.240 175.937 176.117 0.100 0.000 1.060 1004 I CA -0.339 61.002 61.300 0.068 0.000 1.309 1004 I CB 0.721 38.757 38.000 0.059 0.000 1.415 1004 I HN 0.398 nan 8.210 nan 0.000 0.492 1005 I N 7.895 128.529 120.570 0.107 0.000 2.269 1005 I HA 0.091 4.263 4.170 0.004 0.000 0.293 1005 I C -0.199 175.977 176.117 0.097 0.000 1.106 1005 I CA -0.227 61.075 61.300 0.003 0.000 1.248 1005 I CB -0.393 37.450 38.000 -0.261 0.000 1.444 1005 I HN 0.490 nan 8.210 nan 0.000 0.497 1006 Y N 5.511 125.798 120.300 -0.022 0.000 2.327 1006 Y HA 0.551 5.103 4.550 0.004 0.000 0.336 1006 Y C 0.424 176.348 175.900 0.041 0.000 1.035 1006 Y CA -0.489 57.632 58.100 0.035 0.000 1.165 1006 Y CB 1.270 39.755 38.460 0.041 0.000 1.181 1006 Y HN 0.601 nan 8.280 nan 0.000 0.494 1007 A N 5.522 128.190 122.820 -0.254 0.000 2.806 1007 A HA 0.131 4.454 4.320 0.004 0.000 0.266 1007 A C -1.064 176.427 177.584 -0.154 0.000 0.926 1007 A CA -0.420 51.530 52.037 -0.144 0.000 1.068 1007 A CB -0.413 18.521 19.000 -0.110 0.000 1.189 1007 A HN 0.815 nan 8.150 nan 0.000 0.481 1008 H N 1.439 120.101 119.070 -0.679 0.000 2.767 1008 H HA 0.240 4.798 4.556 0.003 0.000 0.316 1008 H C -2.027 172.889 175.328 -0.687 0.000 1.059 1008 H CA -1.467 54.266 56.048 -0.526 0.000 1.461 1008 H CB 1.585 31.070 29.762 -0.462 0.000 1.475 1008 H HN 0.121 nan 8.280 nan 0.000 0.531 1009 P HA -0.085 nan 4.420 nan 0.000 0.220 1009 P C -0.553 176.121 177.300 -1.043 0.000 1.148 1009 P CA 1.302 63.375 63.100 -1.712 0.000 0.803 1009 P CB 0.115 30.877 31.700 -1.564 0.000 0.782 1010 Y N -2.550 117.759 120.300 0.014 0.000 2.747 1010 Y HA 0.339 4.891 4.550 0.004 0.000 0.362 1010 Y C -1.753 173.996 175.900 -0.252 0.000 1.026 1010 Y CA -2.629 55.454 58.100 -0.029 0.000 1.135 1010 Y CB 0.254 38.711 38.460 -0.007 0.000 1.175 1010 Y HN 0.019 nan 8.280 nan 0.000 0.643 1011 P HA -0.192 nan 4.420 nan 0.000 0.217 1011 P C 0.794 177.970 177.300 -0.207 0.000 1.148 1011 P CA 1.942 64.891 63.100 -0.252 0.000 0.828 1011 P CB 0.172 31.778 31.700 -0.157 0.000 0.783 1012 H N -2.976 116.101 119.070 0.012 0.000 2.529 1012 H HA 0.019 4.577 4.556 0.004 0.000 0.277 1012 H C 1.548 176.745 175.328 -0.218 0.000 0.999 1012 H CA 0.600 56.592 56.048 -0.093 0.000 1.256 1012 H CB -0.246 29.453 29.762 -0.105 0.000 1.402 1012 H HN 0.366 nan 8.280 nan 0.000 0.566 1013 H N -0.639 118.423 119.070 -0.013 0.000 2.575 1013 H HA 0.125 4.683 4.556 0.004 0.000 0.267 1013 H C 0.837 176.094 175.328 -0.118 0.000 0.966 1013 H CA -0.005 56.016 56.048 -0.045 0.000 1.165 1013 H CB 0.536 30.309 29.762 0.017 0.000 1.433 1013 H HN 0.097 nan 8.280 nan 0.000 0.544 1014 S N 0.490 116.112 115.700 -0.130 0.000 2.549 1014 S HA 0.002 4.474 4.470 0.004 0.000 0.283 1014 S C 1.006 175.506 174.600 -0.167 0.000 1.320 1014 S CA -0.352 57.778 58.200 -0.117 0.000 1.058 1014 S CB 0.694 63.756 63.200 -0.230 0.000 0.882 1014 S HN 0.388 nan 8.310 nan 0.000 0.498 1015 H N 3.396 122.506 119.070 0.066 0.000 2.367 1015 H HA 0.195 4.753 4.556 0.004 0.000 0.304 1015 H C 2.231 177.580 175.328 0.034 0.000 1.023 1015 H CA 1.012 57.086 56.048 0.043 0.000 1.342 1015 H CB -0.598 29.190 29.762 0.044 0.000 1.486 1015 H HN 0.711 nan 8.280 nan 0.000 0.596 1016 A N 2.023 124.950 122.820 0.179 0.000 1.845 1016 A HA -0.165 4.157 4.320 0.004 0.000 0.215 1016 A C 2.145 179.758 177.584 0.049 0.000 1.195 1016 A CA 1.552 53.640 52.037 0.085 0.000 0.616 1016 A CB -0.534 18.490 19.000 0.041 0.000 0.832 1016 A HN 0.370 nan 8.150 nan 0.000 0.443 1017 N N -0.361 118.396 118.700 0.095 0.000 2.166 1017 N HA -0.162 4.580 4.740 0.004 0.000 0.186 1017 N C 1.814 177.298 175.510 -0.043 0.000 1.019 1017 N CA 1.474 54.568 53.050 0.073 0.000 0.856 1017 N CB -0.239 38.462 38.487 0.356 0.000 0.993 1017 N HN 0.631 nan 8.380 nan 0.000 0.426 1018 K N 1.644 122.036 120.400 -0.013 0.000 2.032 1018 K HA -0.099 4.223 4.320 0.004 0.000 0.209 1018 K C 2.041 178.606 176.600 -0.060 0.000 1.048 1018 K CA 1.124 57.370 56.287 -0.067 0.000 0.927 1018 K CB 0.063 32.527 32.500 -0.059 0.000 0.712 1018 K HN 0.090 nan 8.250 nan 0.000 0.441 1019 R N 0.021 120.509 120.500 -0.020 0.000 2.081 1019 R HA -0.083 4.260 4.340 0.004 0.000 0.235 1019 R C 2.478 178.774 176.300 -0.007 0.000 1.131 1019 R CA 1.857 57.954 56.100 -0.005 0.000 0.960 1019 R CB -0.304 30.010 30.300 0.023 0.000 0.856 1019 R HN 0.309 nan 8.270 nan 0.000 0.436 1020 M N 0.490 120.074 119.600 -0.026 0.000 2.082 1020 M HA -0.218 4.265 4.480 0.004 0.000 0.258 1020 M C 2.233 178.561 176.300 0.048 0.000 1.069 1020 M CA 1.784 57.082 55.300 -0.004 0.000 1.102 1020 M CB -0.320 32.135 32.600 -0.242 0.000 1.336 1020 M HN 0.140 nan 8.290 nan 0.000 0.404 1021 L N -0.596 120.581 121.223 -0.076 0.000 2.072 1021 L HA -0.167 4.175 4.340 0.004 0.000 0.205 1021 L C 2.281 179.108 176.870 -0.072 0.000 1.079 1021 L CA 1.154 55.928 54.840 -0.110 0.000 0.752 1021 L CB -0.675 41.219 42.059 -0.274 0.000 0.906 1021 L HN 0.317 nan 8.230 nan 0.000 0.436 1022 E N -0.301 119.863 120.200 -0.059 0.000 2.086 1022 E HA -0.284 4.068 4.350 0.004 0.000 0.200 1022 E C 2.300 178.881 176.600 -0.032 0.000 1.012 1022 E CA 1.345 57.721 56.400 -0.039 0.000 0.812 1022 E CB -0.034 29.649 29.700 -0.027 0.000 0.743 1022 E HN 0.426 nan 8.360 nan 0.000 0.453 1023 Q N -0.001 119.787 119.800 -0.020 0.000 1.967 1023 Q HA -0.134 4.208 4.340 0.004 0.000 0.202 1023 Q C 2.339 178.296 176.000 -0.072 0.000 0.985 1023 Q CA 1.518 57.303 55.803 -0.031 0.000 0.839 1023 Q CB -0.754 27.979 28.738 -0.008 0.000 0.906 1023 Q HN 0.296 nan 8.270 nan 0.000 0.423 1024 A N 1.327 124.092 122.820 -0.092 0.000 1.997 1024 A HA -0.240 4.082 4.320 0.004 0.000 0.221 1024 A C 2.060 179.578 177.584 -0.111 0.000 1.172 1024 A CA 1.698 53.635 52.037 -0.166 0.000 0.645 1024 A CB -0.563 18.334 19.000 -0.172 0.000 0.813 1024 A HN 0.293 nan 8.150 nan 0.000 0.454 1025 R N -0.698 119.757 120.500 -0.075 0.000 2.285 1025 R HA -0.067 4.275 4.340 0.004 0.000 0.213 1025 R C 2.044 178.317 176.300 -0.046 0.000 1.068 1025 R CA 1.396 57.463 56.100 -0.056 0.000 1.004 1025 R CB -0.391 29.881 30.300 -0.046 0.000 0.873 1025 R HN 0.818 nan 8.270 nan 0.000 0.467 1026 T N -1.940 112.583 114.554 -0.052 0.000 3.067 1026 T HA 0.073 4.426 4.350 0.004 0.000 0.261 1026 T C 0.867 175.541 174.700 -0.042 0.000 1.110 1026 T CA 0.092 62.167 62.100 -0.042 0.000 1.113 1026 T CB 0.056 68.901 68.868 -0.039 0.000 0.917 1026 T HN -0.134 nan 8.240 nan 0.000 0.499 1027 L N 1.252 122.441 121.223 -0.056 0.000 2.479 1027 L HA 0.662 5.004 4.340 0.004 0.000 0.248 1027 L C 0.259 177.110 176.870 -0.031 0.000 1.205 1027 L CA -0.197 54.614 54.840 -0.048 0.000 0.817 1027 L CB 0.511 42.528 42.059 -0.070 0.000 1.162 1027 L HN 0.290 nan 8.230 nan 0.000 0.486 1028 E N -1.244 118.947 120.200 -0.016 0.000 2.433 1028 E HA 0.599 4.951 4.350 0.004 0.000 0.273 1028 E C -0.715 175.893 176.600 0.014 0.000 0.950 1028 E CA -0.724 55.675 56.400 -0.002 0.000 0.796 1028 E CB 1.657 31.358 29.700 0.001 0.000 1.330 1028 E HN 0.559 nan 8.360 nan 0.000 0.455 1029 G N 0.819 109.638 108.800 0.031 0.000 2.356 1029 G HA2 0.482 4.444 3.960 0.004 0.000 0.300 1029 G HA3 0.482 4.444 3.960 0.004 0.000 0.300 1029 G C -0.958 173.956 174.900 0.023 0.000 1.107 1029 G CA -0.339 44.778 45.100 0.027 0.000 0.960 1029 G HN 0.254 nan 8.290 nan 0.000 0.418 1030 V N 3.132 123.048 119.914 0.004 0.000 2.417 1030 V HA 0.371 4.493 4.120 0.004 0.000 0.291 1030 V C 0.014 176.109 176.094 0.002 0.000 1.024 1030 V CA -0.774 61.519 62.300 -0.011 0.000 0.861 1030 V CB 1.684 33.481 31.823 -0.043 0.000 0.985 1030 V HN 0.824 nan 8.190 nan 0.000 0.436 1031 E N 4.649 124.858 120.200 0.015 0.000 2.166 1031 E HA 0.591 4.943 4.350 0.004 0.000 0.275 1031 E C -1.383 175.235 176.600 0.030 0.000 0.941 1031 E CA -0.660 55.757 56.400 0.028 0.000 0.784 1031 E CB 1.611 31.341 29.700 0.050 0.000 1.115 1031 E HN 0.619 nan 8.360 nan 0.000 0.399 1032 I N 4.337 124.924 120.570 0.027 0.000 2.378 1032 I HA 0.366 4.538 4.170 0.004 0.000 0.291 1032 I C -0.092 176.062 176.117 0.062 0.000 0.992 1032 I CA -0.641 60.682 61.300 0.037 0.000 1.154 1032 I CB 1.486 39.485 38.000 -0.000 0.000 1.315 1032 I HN 0.313 nan 8.210 nan 0.000 0.448 1033 R N 3.967 124.518 120.500 0.086 0.000 2.275 1033 R HA 0.308 4.650 4.340 0.004 0.000 0.326 1033 R C -0.456 175.903 176.300 0.098 0.000 0.973 1033 R CA -0.427 55.722 56.100 0.082 0.000 0.854 1033 R CB 1.659 32.021 30.300 0.103 0.000 1.156 1033 R HN 0.530 nan 8.270 nan 0.000 0.487 1034 S N 4.258 120.021 115.700 0.105 0.000 2.411 1034 S HA 0.147 4.619 4.470 0.004 0.000 0.304 1034 S C 1.495 176.091 174.600 -0.006 0.000 1.098 1034 S CA -0.584 57.698 58.200 0.137 0.000 1.068 1034 S CB 0.235 63.558 63.200 0.205 0.000 1.032 1034 S HN 0.619 nan 8.310 nan 0.000 0.511 1035 L N 4.549 125.738 121.223 -0.057 0.000 2.083 1035 L HA -0.114 4.228 4.340 0.004 0.000 0.209 1035 L C 1.448 178.193 176.870 -0.208 0.000 1.083 1035 L CA 1.503 56.270 54.840 -0.121 0.000 0.752 1035 L CB -0.510 41.407 42.059 -0.237 0.000 0.899 1035 L HN 0.705 nan 8.230 nan 0.000 0.433 1036 Y N -0.425 119.785 120.300 -0.151 0.000 2.516 1036 Y HA -0.118 4.434 4.550 0.004 0.000 0.291 1036 Y C 2.761 178.605 175.900 -0.093 0.000 1.131 1036 Y CA 0.558 58.576 58.100 -0.135 0.000 1.281 1036 Y CB -0.015 38.335 38.460 -0.183 0.000 1.013 1036 Y HN 0.201 nan 8.280 nan 0.000 0.554 1037 Q N -0.174 119.637 119.800 0.018 0.000 2.096 1037 Q HA -0.053 4.290 4.340 0.004 0.000 0.197 1037 Q C 2.291 178.234 176.000 -0.096 0.000 0.964 1037 Q CA 1.019 56.814 55.803 -0.012 0.000 0.838 1037 Q CB -0.329 28.405 28.738 -0.007 0.000 0.906 1037 Q HN 0.518 nan 8.270 nan 0.000 0.444 1038 L N -0.996 120.085 121.223 -0.237 0.000 2.109 1038 L HA -0.092 4.251 4.340 0.004 0.000 0.207 1038 L C 0.510 176.984 176.870 -0.661 0.000 1.086 1038 L CA 1.004 55.519 54.840 -0.540 0.000 0.760 1038 L CB 0.017 41.547 42.059 -0.883 0.000 0.910 1038 L HN 0.176 nan 8.230 nan 0.000 0.437 1039 Y N -1.274 118.987 120.300 -0.063 0.000 2.470 1039 Y HA 0.244 4.796 4.550 0.004 0.000 0.352 1039 Y C -1.630 174.241 175.900 -0.048 0.000 0.967 1039 Y CA -1.664 56.393 58.100 -0.072 0.000 1.121 1039 Y CB 0.137 38.506 38.460 -0.151 0.000 1.149 1039 Y HN -0.027 nan 8.280 nan 0.000 0.641 1040 P HA -0.149 nan 4.420 nan 0.000 0.222 1040 P C 0.251 177.765 177.300 0.357 0.000 1.147 1040 P CA 1.499 64.736 63.100 0.229 0.000 0.790 1040 P CB 0.464 32.273 31.700 0.181 0.000 0.780 1041 D N -1.249 119.334 120.400 0.305 0.000 2.342 1041 D HA 0.081 4.723 4.640 0.004 0.000 0.221 1041 D C -0.103 176.441 176.300 0.407 0.000 1.101 1041 D CA -0.265 53.912 54.000 0.294 0.000 0.837 1041 D CB -0.214 40.694 40.800 0.180 0.000 0.938 1041 D HN 0.007 nan 8.370 nan 0.000 0.508 1042 F N 1.768 121.746 119.950 0.047 0.000 3.091 1042 F HA -0.236 4.293 4.527 0.003 0.000 0.288 1042 F C 0.242 176.011 175.800 -0.050 0.000 0.907 1042 F CA -0.077 57.915 58.000 -0.013 0.000 1.028 1042 F CB -2.476 36.525 39.000 0.003 0.000 1.022 1042 F HN 0.148 nan 8.300 nan 0.000 0.665 1043 N N 1.041 119.791 118.700 0.083 0.000 2.936 1043 N HA 0.358 5.100 4.740 0.004 0.000 0.243 1043 N C -0.248 175.099 175.510 -0.271 0.000 1.149 1043 N CA -0.372 52.657 53.050 -0.036 0.000 0.914 1043 N CB 0.303 38.814 38.487 0.041 0.000 1.179 1043 N HN 0.369 nan 8.380 nan 0.000 0.502 1044 I N 0.472 120.747 120.570 -0.493 0.000 2.533 1044 I HA -0.022 4.150 4.170 0.004 0.000 0.284 1044 I C 0.488 176.294 176.117 -0.518 0.000 1.109 1044 I CA -0.129 60.625 61.300 -0.911 0.000 1.412 1044 I CB 0.591 38.157 38.000 -0.724 0.000 1.396 1044 I HN 0.304 nan 8.210 nan 0.000 0.543 1045 D N 7.524 127.674 120.400 -0.417 0.000 2.435 1045 D HA 0.142 4.784 4.640 0.004 0.000 0.230 1045 D C 1.136 177.334 176.300 -0.170 0.000 1.215 1045 D CA 0.043 53.960 54.000 -0.139 0.000 0.947 1045 D CB 0.578 41.428 40.800 0.083 0.000 1.048 1045 D HN 0.407 nan 8.370 nan 0.000 0.512 1046 I N 2.365 122.795 120.570 -0.233 0.000 2.208 1046 I HA -0.306 3.866 4.170 0.004 0.000 0.245 1046 I C 2.341 178.297 176.117 -0.269 0.000 1.097 1046 I CA 1.070 62.197 61.300 -0.289 0.000 1.363 1046 I CB -0.051 37.779 38.000 -0.284 0.000 1.051 1046 I HN 0.380 nan 8.210 nan 0.000 0.413 1047 A N 0.718 123.426 122.820 -0.186 0.000 1.877 1047 A HA -0.155 4.167 4.320 0.004 0.000 0.216 1047 A C 2.565 180.095 177.584 -0.089 0.000 1.186 1047 A CA 1.826 53.773 52.037 -0.151 0.000 0.620 1047 A CB -0.875 18.081 19.000 -0.073 0.000 0.822 1047 A HN 0.426 nan 8.150 nan 0.000 0.443 1048 A N -0.305 122.499 122.820 -0.027 0.000 1.908 1048 A HA -0.172 4.150 4.320 0.004 0.000 0.218 1048 A C 1.940 179.563 177.584 0.066 0.000 1.181 1048 A CA 1.825 53.886 52.037 0.040 0.000 0.627 1048 A CB -0.453 18.602 19.000 0.091 0.000 0.818 1048 A HN 0.467 nan 8.150 nan 0.000 0.445 1049 E N 0.073 120.301 120.200 0.048 0.000 2.051 1049 E HA -0.213 4.139 4.350 0.004 0.000 0.192 1049 E C 2.165 178.782 176.600 0.028 0.000 0.991 1049 E CA 1.482 57.949 56.400 0.111 0.000 0.799 1049 E CB -0.570 29.146 29.700 0.027 0.000 0.748 1049 E HN 0.796 nan 8.360 nan 0.000 0.449 1050 Q N 0.280 119.948 119.800 -0.221 0.000 2.170 1050 Q HA -0.150 4.192 4.340 0.004 0.000 0.203 1050 Q C 2.184 178.194 176.000 0.017 0.000 0.976 1050 Q CA 0.994 56.567 55.803 -0.383 0.000 0.858 1050 Q CB -0.008 28.128 28.738 -1.003 0.000 0.907 1050 Q HN 0.196 nan 8.270 nan 0.000 0.433 1051 E N 0.743 120.958 120.200 0.025 0.000 2.072 1051 E HA -0.165 4.187 4.350 0.004 0.000 0.191 1051 E C 1.813 178.501 176.600 0.146 0.000 0.985 1051 E CA 1.258 57.716 56.400 0.098 0.000 0.801 1051 E CB 0.005 29.744 29.700 0.064 0.000 0.750 1051 E HN 0.313 nan 8.360 nan 0.000 0.452 1052 A N 1.050 123.963 122.820 0.155 0.000 1.930 1052 A HA -0.079 4.243 4.320 0.004 0.000 0.217 1052 A C 2.455 180.173 177.584 0.224 0.000 1.175 1052 A CA 0.931 53.074 52.037 0.178 0.000 0.627 1052 A CB -0.599 18.514 19.000 0.188 0.000 0.815 1052 A HN 0.286 nan 8.150 nan 0.000 0.443 1053 L N -0.472 120.931 121.223 0.301 0.000 2.083 1053 L HA -0.153 4.189 4.340 0.004 0.000 0.209 1053 L C 2.730 179.785 176.870 0.308 0.000 1.083 1053 L CA 1.332 56.395 54.840 0.372 0.000 0.752 1053 L CB -0.405 41.998 42.059 0.573 0.000 0.899 1053 L HN 0.291 nan 8.230 nan 0.000 0.433 1054 S N -0.428 115.461 115.700 0.315 0.000 2.440 1054 S HA -0.175 4.297 4.470 0.004 0.000 0.238 1054 S C 1.931 176.627 174.600 0.160 0.000 1.010 1054 S CA 1.285 59.627 58.200 0.236 0.000 0.972 1054 S CB -0.194 63.148 63.200 0.235 0.000 0.774 1054 S HN 0.385 nan 8.310 nan 0.000 0.501 1055 R N 0.242 120.836 120.500 0.155 0.000 2.312 1055 R HA 0.340 4.683 4.340 0.004 0.000 0.205 1055 R C 0.415 176.789 176.300 0.124 0.000 0.904 1055 R CA 0.084 56.259 56.100 0.124 0.000 1.052 1055 R CB 0.329 30.695 30.300 0.111 0.000 1.014 1055 R HN 0.222 nan 8.270 nan 0.000 0.503 1056 A N 0.628 123.530 122.820 0.138 0.000 2.310 1056 A HA 0.207 4.529 4.320 0.004 0.000 0.299 1056 A C -0.147 177.509 177.584 0.121 0.000 1.147 1056 A CA -0.589 51.519 52.037 0.118 0.000 0.818 1056 A CB 0.659 19.730 19.000 0.119 0.000 1.096 1056 A HN 0.031 nan 8.150 nan 0.000 0.495 1057 D N 0.564 121.044 120.400 0.134 0.000 2.369 1057 D HA 0.059 4.702 4.640 0.004 0.000 0.231 1057 D C 0.019 176.351 176.300 0.053 0.000 0.967 1057 D CA 0.702 54.840 54.000 0.231 0.000 0.905 1057 D CB 0.140 41.232 40.800 0.486 0.000 1.044 1057 D HN 0.381 nan 8.370 nan 0.000 0.487 1058 L N 1.638 122.641 121.223 -0.366 0.000 2.282 1058 L HA 0.395 4.737 4.340 0.004 0.000 0.288 1058 L C -0.807 175.856 176.870 -0.344 0.000 1.033 1058 L CA -0.398 53.988 54.840 -0.756 0.000 0.807 1058 L CB 1.116 42.161 42.059 -1.691 0.000 1.209 1058 L HN -0.155 nan 8.230 nan 0.000 0.423 1059 I N 5.600 126.024 120.570 -0.243 0.000 2.354 1059 I HA 0.442 4.614 4.170 0.004 0.000 0.292 1059 I C -0.757 175.242 176.117 -0.197 0.000 0.989 1059 I CA -0.820 60.407 61.300 -0.120 0.000 1.188 1059 I CB 1.772 39.776 38.000 0.007 0.000 1.342 1059 I HN 0.231 nan 8.210 nan 0.000 0.457 1060 V N 4.994 124.852 119.914 -0.094 0.000 2.409 1060 V HA 0.306 4.428 4.120 0.004 0.000 0.291 1060 V C -0.869 175.328 176.094 0.172 0.000 1.020 1060 V CA -0.590 61.698 62.300 -0.021 0.000 0.848 1060 V CB 1.444 33.282 31.823 0.025 0.000 0.990 1060 V HN 0.550 nan 8.190 nan 0.000 0.430 1061 W N 4.097 125.484 121.300 0.146 0.000 2.357 1061 W HA 0.480 5.142 4.660 0.004 0.000 0.317 1061 W C 0.272 176.953 176.519 0.270 0.000 1.101 1061 W CA -0.753 56.709 57.345 0.196 0.000 1.380 1061 W CB 0.520 30.163 29.460 0.305 0.000 1.266 1061 W HN 0.567 nan 8.180 nan 0.000 0.419 1062 Q N 4.551 124.595 119.800 0.405 0.000 2.333 1062 Q HA 0.416 4.758 4.340 0.004 0.000 0.268 1062 Q C -0.970 175.234 176.000 0.341 0.000 1.007 1062 Q CA -0.386 55.578 55.803 0.267 0.000 0.810 1062 Q CB 1.417 30.276 28.738 0.201 0.000 1.264 1062 Q HN 0.677 nan 8.270 nan 0.000 0.452 1063 H N 1.174 120.325 119.070 0.135 0.000 3.024 1063 H HA 0.532 5.090 4.556 0.004 0.000 0.324 1063 H C -3.124 172.194 175.328 -0.017 0.000 1.347 1063 H CA -1.753 54.330 56.048 0.059 0.000 1.182 1063 H CB 1.089 30.877 29.762 0.043 0.000 1.889 1063 H HN 0.321 nan 8.280 nan 0.000 0.528 1064 P HA 0.124 nan 4.420 nan 0.000 0.279 1064 P C -0.311 177.070 177.300 0.136 0.000 1.239 1064 P CA -0.519 62.529 63.100 -0.087 0.000 0.789 1064 P CB 1.140 32.678 31.700 -0.270 0.000 0.933 1065 M N 3.232 122.863 119.600 0.052 0.000 2.238 1065 M HA 0.056 4.539 4.480 0.004 0.000 0.350 1065 M C -0.296 176.041 176.300 0.063 0.000 1.321 1065 M CA 1.070 56.483 55.300 0.188 0.000 1.097 1065 M CB -0.039 32.676 32.600 0.191 0.000 1.713 1065 M HN 0.271 nan 8.290 nan 0.000 0.455 1066 Q N 4.886 124.752 119.800 0.110 0.000 2.290 1066 Q HA 0.191 4.533 4.340 0.004 0.000 0.269 1066 Q C -1.522 174.564 176.000 0.144 0.000 1.016 1066 Q CA -0.577 55.233 55.803 0.011 0.000 0.754 1066 Q CB 1.116 29.893 28.738 0.064 0.000 1.247 1066 Q HN 0.965 nan 8.270 nan 0.000 0.451 1067 W N 2.649 123.959 121.300 0.016 0.000 6.905 1067 W HA -0.313 4.349 4.660 0.004 0.000 0.419 1067 W C -0.527 176.119 176.519 0.212 0.000 1.653 1067 W CA 0.692 58.051 57.345 0.023 0.000 1.131 1067 W CB -2.087 27.458 29.460 0.140 0.000 2.876 1067 W HN 0.914 nan 8.180 nan 0.000 1.563 1068 Y N -2.915 117.624 120.300 0.398 0.000 4.729 1068 Y HA -0.357 4.195 4.550 0.003 0.000 0.239 1068 Y C 1.125 177.216 175.900 0.319 0.000 1.043 1068 Y CA 1.257 59.594 58.100 0.396 0.000 2.045 1068 Y CB -2.047 36.629 38.460 0.360 0.000 1.599 1068 Y HN 0.297 nan 8.280 nan 0.000 0.655 1069 S N -0.957 114.986 115.700 0.405 0.000 3.211 1069 S HA 0.821 5.293 4.470 0.004 0.000 0.320 1069 S C -0.859 173.920 174.600 0.298 0.000 1.225 1069 S CA -0.341 58.051 58.200 0.319 0.000 1.044 1069 S CB 0.586 63.926 63.200 0.232 0.000 1.410 1069 S HN 0.539 nan 8.310 nan 0.000 0.640 1070 I N 0.130 120.767 120.570 0.111 0.000 2.863 1070 I HA 0.742 4.914 4.170 0.004 0.000 0.311 1070 I C -2.877 173.165 176.117 -0.126 0.000 1.026 1070 I CA -2.871 58.335 61.300 -0.156 0.000 1.077 1070 I CB 1.562 39.373 38.000 -0.314 0.000 1.262 1070 I HN 0.301 nan 8.210 nan 0.000 0.461 1071 P HA 0.225 nan 4.420 nan 0.000 0.268 1071 P C -2.219 175.076 177.300 -0.009 0.000 1.205 1071 P CA -0.900 62.174 63.100 -0.044 0.000 0.771 1071 P CB 0.085 31.779 31.700 -0.009 0.000 0.858 1072 P HA -0.189 nan 4.420 nan 0.000 0.216 1072 P C 1.320 178.636 177.300 0.026 0.000 1.150 1072 P CA 0.960 64.142 63.100 0.136 0.000 0.843 1072 P CB -0.081 31.804 31.700 0.309 0.000 0.787 1073 L N -1.353 119.780 121.223 -0.151 0.000 2.156 1073 L HA -0.046 4.296 4.340 0.004 0.000 0.208 1073 L C 2.046 178.680 176.870 -0.394 0.000 1.095 1073 L CA 1.478 55.942 54.840 -0.626 0.000 0.770 1073 L CB -1.442 39.742 42.059 -1.459 0.000 0.914 1073 L HN -0.130 nan 8.230 nan 0.000 0.439 1074 L N -0.263 120.774 121.223 -0.310 0.000 2.046 1074 L HA -0.179 4.163 4.340 0.004 0.000 0.208 1074 L C 2.474 179.167 176.870 -0.295 0.000 1.077 1074 L CA 1.792 56.420 54.840 -0.352 0.000 0.747 1074 L CB -0.852 40.942 42.059 -0.442 0.000 0.896 1074 L HN 0.232 nan 8.230 nan 0.000 0.432 1075 K N -0.579 119.682 120.400 -0.232 0.000 2.097 1075 K HA -0.165 4.157 4.320 0.004 0.000 0.206 1075 K C 2.012 178.535 176.600 -0.128 0.000 1.049 1075 K CA 1.594 57.770 56.287 -0.186 0.000 0.933 1075 K CB -0.651 31.777 32.500 -0.120 0.000 0.717 1075 K HN 0.329 nan 8.250 nan 0.000 0.442 1076 L N -0.580 120.584 121.223 -0.099 0.000 2.072 1076 L HA -0.004 4.338 4.340 0.004 0.000 0.205 1076 L C 2.029 178.847 176.870 -0.087 0.000 1.079 1076 L CA 1.604 56.403 54.840 -0.069 0.000 0.752 1076 L CB -0.588 41.442 42.059 -0.048 0.000 0.906 1076 L HN 0.426 nan 8.230 nan 0.000 0.436 1077 W N 0.239 121.352 121.300 -0.312 0.000 2.338 1077 W HA -0.247 4.416 4.660 0.004 0.000 0.304 1077 W C 2.222 178.543 176.519 -0.330 0.000 1.212 1077 W CA 2.255 59.414 57.345 -0.309 0.000 1.264 1077 W CB -0.077 29.193 29.460 -0.317 0.000 1.142 1077 W HN 0.166 nan 8.180 nan 0.000 0.512 1078 I N 0.475 120.994 120.570 -0.083 0.000 2.142 1078 I HA -0.328 3.844 4.170 0.004 0.000 0.240 1078 I C 2.076 178.037 176.117 -0.261 0.000 1.078 1078 I CA 1.843 62.904 61.300 -0.398 0.000 1.343 1078 I CB -0.789 36.957 38.000 -0.423 0.000 1.046 1078 I HN -0.132 nan 8.210 nan 0.000 0.405 1079 D N 0.842 121.155 120.400 -0.146 0.000 2.158 1079 D HA -0.169 4.473 4.640 0.004 0.000 0.197 1079 D C 2.173 178.449 176.300 -0.041 0.000 0.995 1079 D CA 1.204 55.170 54.000 -0.058 0.000 0.846 1079 D CB -0.112 40.661 40.800 -0.044 0.000 0.941 1079 D HN 0.233 nan 8.370 nan 0.000 0.456 1080 K N -0.111 120.209 120.400 -0.133 0.000 2.141 1080 K HA 0.115 4.437 4.320 0.004 0.000 0.202 1080 K C 2.186 178.652 176.600 -0.223 0.000 1.045 1080 K CA 0.204 56.395 56.287 -0.161 0.000 0.971 1080 K CB -0.318 32.049 32.500 -0.221 0.000 0.795 1080 K HN 0.079 nan 8.250 nan 0.000 0.459 1081 V N 0.985 120.651 119.914 -0.414 0.000 2.591 1081 V HA -0.057 4.066 4.120 0.004 0.000 0.249 1081 V C 0.847 176.962 176.094 0.035 0.000 1.053 1081 V CA 0.807 62.816 62.300 -0.486 0.000 1.068 1081 V CB -0.356 30.751 31.823 -1.193 0.000 0.689 1081 V HN 0.028 nan 8.190 nan 0.000 0.462 1082 F N 2.778 122.685 119.950 -0.072 0.000 2.661 1082 F HA 0.321 4.849 4.527 0.003 0.000 0.356 1082 F C 1.102 177.096 175.800 0.324 0.000 1.244 1082 F CA -1.015 57.129 58.000 0.241 0.000 1.290 1082 F CB -1.049 38.125 39.000 0.290 0.000 1.677 1082 F HN 0.127 nan 8.300 nan 0.000 0.649 1083 S N 0.127 116.066 115.700 0.399 0.000 2.646 1083 S HA 0.329 4.801 4.470 0.004 0.000 0.276 1083 S C -0.420 174.216 174.600 0.059 0.000 1.222 1083 S CA -0.638 57.709 58.200 0.244 0.000 1.014 1083 S CB 1.336 64.585 63.200 0.081 0.000 0.991 1083 S HN 0.473 nan 8.310 nan 0.000 0.533 1084 H N 0.512 119.423 119.070 -0.265 0.000 2.722 1084 H HA 0.478 5.036 4.556 0.004 0.000 0.328 1084 H C 0.448 175.651 175.328 -0.209 0.000 1.067 1084 H CA 0.096 55.806 56.048 -0.563 0.000 1.447 1084 H CB 0.432 29.991 29.762 -0.339 0.000 1.469 1084 H HN 0.876 nan 8.280 nan 0.000 0.544 1085 G N 4.332 112.943 108.800 -0.316 0.000 3.005 1085 G HA2 0.160 4.123 3.960 0.004 0.000 0.342 1085 G HA3 0.160 4.123 3.960 0.004 0.000 0.342 1085 G C 0.023 174.887 174.900 -0.060 0.000 1.101 1085 G CA -0.596 44.381 45.100 -0.204 0.000 1.225 1085 G HN 0.860 nan 8.290 nan 0.000 0.462 1086 W N 2.445 123.627 121.300 -0.197 0.000 2.893 1086 W HA 0.406 5.069 4.660 0.004 0.000 0.253 1086 W C 1.672 178.103 176.519 -0.146 0.000 1.171 1086 W CA 1.050 58.311 57.345 -0.140 0.000 1.480 1086 W CB 0.706 30.110 29.460 -0.093 0.000 0.963 1086 W HN 0.455 nan 8.180 nan 0.000 0.637 1087 A N -0.928 121.907 122.820 0.026 0.000 2.127 1087 A HA 0.301 4.623 4.320 0.004 0.000 0.204 1087 A C -0.312 177.303 177.584 0.052 0.000 1.243 1087 A CA 0.957 52.950 52.037 -0.074 0.000 0.887 1087 A CB -0.308 18.767 19.000 0.124 0.000 0.933 1087 A HN 0.496 nan 8.150 nan 0.000 0.479 1088 Y N -4.082 116.238 120.300 0.034 0.000 2.728 1088 Y HA 0.618 5.170 4.550 0.004 0.000 0.330 1088 Y C 0.444 176.379 175.900 0.058 0.000 1.234 1088 Y CA -1.323 56.793 58.100 0.026 0.000 1.070 1088 Y CB 0.165 38.728 38.460 0.173 0.000 1.300 1088 Y HN 1.170 nan 8.280 nan 0.000 0.467 1089 G N 0.453 109.271 108.800 0.031 0.000 2.750 1089 G HA2 -0.127 3.836 3.960 0.004 0.000 0.228 1089 G HA3 -0.127 3.836 3.960 0.004 0.000 0.228 1089 G C -1.405 173.362 174.900 -0.221 0.000 1.367 1089 G CA -0.342 44.686 45.100 -0.120 0.000 0.871 1089 G HN 1.179 nan 8.290 nan 0.000 0.560 1090 H N 0.379 119.500 119.070 0.085 0.000 2.668 1090 H HA 0.527 5.085 4.556 0.003 0.000 0.303 1090 H C 0.761 176.050 175.328 -0.065 0.000 1.074 1090 H CA 0.338 56.385 56.048 -0.002 0.000 1.406 1090 H CB 1.011 30.780 29.762 0.012 0.000 1.442 1090 H HN 1.351 nan 8.280 nan 0.000 0.482 1091 G N 0.674 109.469 108.800 -0.007 0.000 2.919 1091 G HA2 0.426 4.388 3.960 0.004 0.000 0.303 1091 G HA3 0.426 4.388 3.960 0.004 0.000 0.303 1091 G C 0.497 175.316 174.900 -0.136 0.000 1.611 1091 G CA -0.117 44.959 45.100 -0.039 0.000 0.876 1091 G HN 0.892 nan 8.290 nan 0.000 0.481 1092 G N 0.842 109.504 108.800 -0.229 0.000 2.173 1092 G HA2 0.076 4.038 3.960 0.004 0.000 0.142 1092 G HA3 0.076 4.038 3.960 0.004 0.000 0.142 1092 G C 0.658 175.290 174.900 -0.446 0.000 1.019 1092 G CA 0.657 45.608 45.100 -0.249 0.000 0.699 1092 G HN 1.855 nan 8.290 nan 0.000 0.495 1093 T N -3.365 110.822 114.554 -0.612 0.000 3.399 1093 T HA 0.645 4.997 4.350 0.004 0.000 0.305 1093 T C 1.881 176.122 174.700 -0.764 0.000 0.983 1093 T CA 1.212 62.689 62.100 -1.039 0.000 0.967 1093 T CB 0.592 68.987 68.868 -0.789 0.000 1.186 1093 T HN 1.279 nan 8.240 nan 0.000 0.504 1094 A N 1.573 123.910 122.820 -0.806 0.000 2.024 1094 A HA 0.230 4.552 4.320 0.004 0.000 0.220 1094 A C 1.970 179.180 177.584 -0.624 0.000 1.164 1094 A CA 1.152 52.671 52.037 -0.864 0.000 0.643 1094 A CB -0.591 17.344 19.000 -1.774 0.000 0.806 1094 A HN 0.607 nan 8.150 nan 0.000 0.451 1095 L N -1.344 119.552 121.223 -0.546 0.000 2.513 1095 L HA 0.120 4.462 4.340 0.004 0.000 0.222 1095 L C 0.136 176.977 176.870 -0.047 0.000 1.096 1095 L CA -0.526 54.156 54.840 -0.264 0.000 0.857 1095 L CB -0.377 41.512 42.059 -0.284 0.000 1.026 1095 L HN 0.248 nan 8.230 nan 0.000 0.469 1096 H N 1.373 120.314 119.070 -0.216 0.000 3.192 1096 H HA 0.158 4.717 4.556 0.004 0.000 0.295 1096 H C 1.321 176.580 175.328 -0.114 0.000 0.943 1096 H CA 0.642 56.600 56.048 -0.150 0.000 1.416 1096 H CB 0.020 29.701 29.762 -0.135 0.000 1.434 1096 H HN 0.317 nan 8.280 nan 0.000 0.565 1097 G N 2.436 111.217 108.800 -0.032 0.000 2.195 1097 G HA2 -0.264 3.698 3.960 0.004 0.000 0.246 1097 G HA3 -0.264 3.698 3.960 0.004 0.000 0.246 1097 G C 0.404 175.257 174.900 -0.079 0.000 0.984 1097 G CA 0.145 45.217 45.100 -0.046 0.000 0.633 1097 G HN 0.568 nan 8.290 nan 0.000 0.525 1098 K N 0.615 120.964 120.400 -0.085 0.000 2.087 1098 K HA 0.587 4.909 4.320 0.004 0.000 0.255 1098 K C -0.018 176.456 176.600 -0.210 0.000 0.988 1098 K CA -0.737 55.519 56.287 -0.052 0.000 0.915 1098 K CB 0.673 33.175 32.500 0.004 0.000 1.043 1098 K HN 0.351 nan 8.250 nan 0.000 0.457 1099 H N 0.906 119.961 119.070 -0.025 0.000 2.502 1099 H HA 0.338 4.896 4.556 0.004 0.000 0.338 1099 H C -0.985 174.217 175.328 -0.210 0.000 1.155 1099 H CA -0.763 55.226 56.048 -0.098 0.000 1.237 1099 H CB 1.702 31.399 29.762 -0.107 0.000 1.534 1099 H HN 0.170 nan 8.280 nan 0.000 0.523 1100 L N 3.293 124.454 121.223 -0.105 0.000 2.376 1100 L HA 0.287 4.629 4.340 0.004 0.000 0.275 1100 L C -1.591 175.074 176.870 -0.342 0.000 0.987 1100 L CA -0.717 53.976 54.840 -0.245 0.000 0.828 1100 L CB 1.479 43.397 42.059 -0.234 0.000 1.249 1100 L HN 0.372 nan 8.230 nan 0.000 0.409 1101 L N 5.093 126.113 121.223 -0.338 0.000 2.313 1101 L HA 0.524 4.866 4.340 0.004 0.000 0.283 1101 L C -1.511 175.303 176.870 -0.094 0.000 1.013 1101 L CA -0.133 54.534 54.840 -0.288 0.000 0.816 1101 L CB 1.355 43.289 42.059 -0.208 0.000 1.236 1101 L HN 0.748 nan 8.230 nan 0.000 0.419 1102 W N 6.196 127.293 121.300 -0.339 0.000 2.387 1102 W HA 0.618 5.280 4.660 0.004 0.000 0.310 1102 W C -0.627 175.926 176.519 0.055 0.000 1.181 1102 W CA -1.157 56.176 57.345 -0.021 0.000 1.333 1102 W CB 0.953 30.461 29.460 0.080 0.000 1.286 1102 W HN 0.713 nan 8.180 nan 0.000 0.455 1103 A N 6.672 129.498 122.820 0.011 0.000 2.399 1103 A HA 0.585 4.907 4.320 0.004 0.000 0.327 1103 A C -1.647 175.704 177.584 -0.388 0.000 1.367 1103 A CA -0.571 51.403 52.037 -0.105 0.000 0.842 1103 A CB 0.877 19.832 19.000 -0.076 0.000 1.142 1103 A HN 0.520 nan 8.150 nan 0.000 0.495 1104 V N 2.964 122.494 119.914 -0.641 0.000 2.769 1104 V HA 0.870 4.992 4.120 0.004 0.000 0.312 1104 V C 0.047 175.805 176.094 -0.560 0.000 1.061 1104 V CA 0.153 61.972 62.300 -0.802 0.000 0.931 1104 V CB 2.468 33.522 31.823 -1.281 0.000 1.010 1104 V HN 1.068 nan 8.190 nan 0.000 0.433 1105 T N 1.534 115.837 114.554 -0.419 0.000 2.856 1105 T HA 0.782 5.134 4.350 0.004 0.000 0.283 1105 T C -0.390 174.148 174.700 -0.270 0.000 1.008 1105 T CA -0.178 61.725 62.100 -0.328 0.000 0.997 1105 T CB 1.511 70.264 68.868 -0.192 0.000 0.992 1105 T HN 1.122 nan 8.240 nan 0.000 0.454 1106 T N -0.810 113.582 114.554 -0.270 0.000 2.893 1106 T HA 0.633 4.985 4.350 0.004 0.000 0.293 1106 T C 1.357 175.826 174.700 -0.385 0.000 1.027 1106 T CA -0.308 61.685 62.100 -0.180 0.000 0.988 1106 T CB 1.505 70.458 68.868 0.143 0.000 1.043 1106 T HN 0.767 nan 8.240 nan 0.000 0.461 1107 G N 1.827 110.167 108.800 -0.767 0.000 2.421 1107 G HA2 0.318 4.280 3.960 0.004 0.000 0.216 1107 G HA3 0.318 4.280 3.960 0.004 0.000 0.216 1107 G C 0.785 175.022 174.900 -1.105 0.000 1.171 1107 G CA 0.277 44.365 45.100 -1.686 0.000 0.775 1107 G HN 1.142 nan 8.290 nan 0.000 0.543 1108 G N -0.535 107.782 108.800 -0.804 0.000 2.504 1108 G HA2 0.515 4.477 3.960 0.004 0.000 0.288 1108 G HA3 0.515 4.477 3.960 0.004 0.000 0.288 1108 G C 0.424 175.241 174.900 -0.139 0.000 1.182 1108 G CA 0.135 44.917 45.100 -0.530 0.000 0.894 1108 G HN 0.443 nan 8.290 nan 0.000 0.521 1109 G N -0.962 107.797 108.800 -0.067 0.000 2.535 1109 G HA2 0.324 4.287 3.960 0.004 0.000 0.282 1109 G HA3 0.324 4.287 3.960 0.004 0.000 0.282 1109 G C 0.688 175.584 174.900 -0.006 0.000 1.350 1109 G CA -0.176 44.904 45.100 -0.032 0.000 1.039 1109 G HN 0.591 nan 8.290 nan 0.000 0.509 1110 E N -0.709 119.433 120.200 -0.098 0.000 2.171 1110 E HA -0.186 4.166 4.350 0.004 0.000 0.197 1110 E C 2.719 179.418 176.600 0.165 0.000 0.997 1110 E CA 1.662 58.072 56.400 0.018 0.000 0.810 1110 E CB 0.016 29.679 29.700 -0.061 0.000 0.738 1110 E HN 0.454 nan 8.360 nan 0.000 0.467 1111 S N -0.380 115.372 115.700 0.087 0.000 2.481 1111 S HA -0.160 4.312 4.470 0.004 0.000 0.231 1111 S C 1.781 176.418 174.600 0.062 0.000 0.996 1111 S CA 0.652 58.899 58.200 0.079 0.000 0.942 1111 S CB -0.284 62.947 63.200 0.051 0.000 0.768 1111 S HN 0.394 nan 8.310 nan 0.000 0.520 1112 H N 0.190 119.175 119.070 -0.142 0.000 2.489 1112 H HA 0.023 4.581 4.556 0.004 0.000 0.293 1112 H C 0.297 175.350 175.328 -0.459 0.000 1.066 1112 H CA 1.103 56.932 56.048 -0.365 0.000 1.305 1112 H CB -0.059 29.329 29.762 -0.624 0.000 1.386 1112 H HN 0.572 nan 8.280 nan 0.000 0.551 1113 F N 0.574 120.619 119.950 0.158 0.000 2.693 1113 F HA 0.126 4.656 4.527 0.004 0.000 0.303 1113 F C 0.703 176.556 175.800 0.089 0.000 1.097 1113 F CA -0.167 57.934 58.000 0.169 0.000 1.330 1113 F CB 0.506 39.668 39.000 0.271 0.000 1.067 1113 F HN -0.078 nan 8.300 nan 0.000 0.565 1114 E N 2.361 122.637 120.200 0.127 0.000 1.972 1114 E HA 0.235 4.587 4.350 0.004 0.000 0.292 1114 E C -0.304 176.312 176.600 0.026 0.000 1.193 1114 E CA 0.149 56.596 56.400 0.078 0.000 1.228 1114 E CB 0.362 30.096 29.700 0.057 0.000 1.167 1114 E HN 0.409 nan 8.360 nan 0.000 0.479 1115 I N -0.893 119.689 120.570 0.020 0.000 2.841 1115 I HA 0.507 4.679 4.170 0.004 0.000 0.298 1115 I C -0.076 176.008 176.117 -0.055 0.000 1.304 1115 I CA 0.054 61.332 61.300 -0.036 0.000 1.019 1115 I CB 1.617 39.568 38.000 -0.081 0.000 1.282 1115 I HN 0.476 nan 8.210 nan 0.000 0.432 1116 G N 3.912 112.670 108.800 -0.070 0.000 2.760 1116 G HA2 -0.032 3.930 3.960 0.004 0.000 0.246 1116 G HA3 -0.032 3.930 3.960 0.004 0.000 0.246 1116 G C 0.365 175.205 174.900 -0.100 0.000 1.359 1116 G CA -0.030 45.019 45.100 -0.085 0.000 0.861 1116 G HN 1.468 nan 8.290 nan 0.000 0.541 1117 A N -1.125 121.592 122.820 -0.171 0.000 2.067 1117 A HA 0.284 4.606 4.320 0.004 0.000 0.217 1117 A C 1.081 178.367 177.584 -0.496 0.000 1.156 1117 A CA 1.748 53.580 52.037 -0.342 0.000 0.683 1117 A CB -0.160 18.573 19.000 -0.446 0.000 0.808 1117 A HN 0.893 nan 8.150 nan 0.000 0.455 1118 H N 0.414 119.474 119.070 -0.016 0.000 2.317 1118 H HA 0.264 4.822 4.556 0.004 0.000 0.231 1118 H C -2.679 172.657 175.328 0.012 0.000 1.442 1118 H CA -1.813 54.232 56.048 -0.004 0.000 1.336 1118 H CB -0.148 29.606 29.762 -0.013 0.000 1.533 1118 H HN 0.395 nan 8.280 nan 0.000 0.522 1119 P HA 0.293 nan 4.420 nan 0.000 0.272 1119 P C 0.497 177.881 177.300 0.140 0.000 1.240 1119 P CA 0.180 63.344 63.100 0.107 0.000 0.791 1119 P CB 1.380 33.126 31.700 0.076 0.000 0.978 1120 G N 0.306 109.227 108.800 0.202 0.000 3.233 1120 G HA2 -0.187 3.775 3.960 0.004 0.000 0.686 1120 G HA3 -0.187 3.775 3.960 0.004 0.000 0.686 1120 G C -0.104 174.903 174.900 0.177 0.000 1.153 1120 G CA -0.334 44.890 45.100 0.206 0.000 0.853 1120 G HN 0.405 nan 8.290 nan 0.000 0.582 1121 F N 2.163 122.118 119.950 0.008 0.000 2.111 1121 F HA -0.253 4.276 4.527 0.004 0.000 0.300 1121 F C 2.567 178.361 175.800 -0.010 0.000 1.088 1121 F CA 3.077 60.932 58.000 -0.242 0.000 1.243 1121 F CB 0.163 38.922 39.000 -0.402 0.000 0.996 1121 F HN 0.683 nan 8.300 nan 0.000 0.483 1122 D N -0.144 120.278 120.400 0.038 0.000 2.149 1122 D HA -0.181 4.462 4.640 0.004 0.000 0.198 1122 D C 2.213 178.487 176.300 -0.044 0.000 0.990 1122 D CA 1.695 55.720 54.000 0.041 0.000 0.839 1122 D CB -1.266 39.620 40.800 0.143 0.000 0.948 1122 D HN 0.327 nan 8.370 nan 0.000 0.460 1123 V N 1.283 121.172 119.914 -0.042 0.000 2.380 1123 V HA -0.239 3.883 4.120 0.004 0.000 0.251 1123 V C 2.754 178.781 176.094 -0.112 0.000 1.063 1123 V CA 1.243 63.510 62.300 -0.054 0.000 1.055 1123 V CB -0.616 31.207 31.823 0.001 0.000 0.657 1123 V HN 0.245 nan 8.190 nan 0.000 0.455 1124 L N 0.847 121.970 121.223 -0.166 0.000 2.362 1124 L HA -0.098 4.245 4.340 0.004 0.000 0.219 1124 L C 2.464 179.197 176.870 -0.229 0.000 1.134 1124 L CA 1.450 56.200 54.840 -0.151 0.000 0.807 1124 L CB -0.660 41.306 42.059 -0.155 0.000 0.927 1124 L HN 0.558 nan 8.230 nan 0.000 0.447 1125 S N -1.350 114.204 115.700 -0.244 0.000 2.522 1125 S HA -0.152 4.321 4.470 0.004 0.000 0.227 1125 S C 1.789 176.129 174.600 -0.432 0.000 0.986 1125 S CA 0.409 58.376 58.200 -0.390 0.000 0.929 1125 S CB 0.012 63.297 63.200 0.142 0.000 0.769 1125 S HN 0.321 nan 8.310 nan 0.000 0.529 1126 Q N 3.325 122.941 119.800 -0.307 0.000 2.014 1126 Q HA -0.043 4.299 4.340 0.004 0.000 0.207 1126 Q C -0.720 175.093 176.000 -0.311 0.000 0.993 1126 Q CA 2.552 58.174 55.803 -0.301 0.000 0.850 1126 Q CB -1.489 27.124 28.738 -0.209 0.000 0.916 1126 Q HN 0.473 nan 8.270 nan 0.000 0.417 1127 P HA -0.155 nan 4.420 nan 0.000 0.218 1127 P C 1.089 178.267 177.300 -0.203 0.000 1.148 1127 P CA 1.297 64.278 63.100 -0.199 0.000 0.822 1127 P CB -0.138 31.472 31.700 -0.151 0.000 0.784 1128 L N -0.595 120.456 121.223 -0.287 0.000 2.044 1128 L HA -0.135 4.208 4.340 0.004 0.000 0.205 1128 L C 3.081 179.692 176.870 -0.431 0.000 1.075 1128 L CA 1.441 56.175 54.840 -0.176 0.000 0.747 1128 L CB -1.134 40.779 42.059 -0.244 0.000 0.903 1128 L HN 0.011 nan 8.230 nan 0.000 0.435 1129 Q N 0.377 119.558 119.800 -1.032 0.000 2.050 1129 Q HA -0.226 4.117 4.340 0.004 0.000 0.202 1129 Q C 2.318 177.999 176.000 -0.532 0.000 0.980 1129 Q CA 1.850 56.845 55.803 -1.347 0.000 0.840 1129 Q CB -0.073 27.718 28.738 -1.578 0.000 0.898 1129 Q HN 0.496 nan 8.270 nan 0.000 0.424 1130 A N 0.137 122.749 122.820 -0.347 0.000 1.908 1130 A HA -0.197 4.125 4.320 0.004 0.000 0.218 1130 A C 2.242 179.807 177.584 -0.033 0.000 1.181 1130 A CA 2.024 53.965 52.037 -0.161 0.000 0.627 1130 A CB -1.123 17.788 19.000 -0.149 0.000 0.818 1130 A HN 0.507 nan 8.150 nan 0.000 0.445 1131 T N 0.307 114.863 114.554 0.004 0.000 2.665 1131 T HA -0.114 4.238 4.350 0.004 0.000 0.268 1131 T C 2.215 177.095 174.700 0.301 0.000 1.035 1131 T CA 1.912 64.122 62.100 0.184 0.000 1.151 1131 T CB -0.513 68.521 68.868 0.278 0.000 0.862 1131 T HN 0.635 nan 8.240 nan 0.000 0.438 1132 A N 0.983 123.939 122.820 0.228 0.000 1.858 1132 A HA -0.028 4.294 4.320 0.004 0.000 0.216 1132 A C 2.307 179.965 177.584 0.123 0.000 1.190 1132 A CA 1.323 53.489 52.037 0.215 0.000 0.617 1132 A CB -0.828 18.307 19.000 0.224 0.000 0.827 1132 A HN 0.515 nan 8.150 nan 0.000 0.443 1133 I N -2.160 118.445 120.570 0.059 0.000 2.127 1133 I HA -0.316 3.856 4.170 0.004 0.000 0.241 1133 I C 2.457 178.598 176.117 0.041 0.000 1.075 1133 I CA 2.061 63.375 61.300 0.024 0.000 1.334 1133 I CB -0.537 37.455 38.000 -0.014 0.000 1.040 1133 I HN 0.509 nan 8.210 nan 0.000 0.405 1134 Y N 0.893 121.180 120.300 -0.022 0.000 2.181 1134 Y HA -0.345 4.207 4.550 0.003 0.000 0.284 1134 Y C 2.500 178.416 175.900 0.026 0.000 1.179 1134 Y CA 1.793 59.884 58.100 -0.014 0.000 1.179 1134 Y CB -0.181 38.259 38.460 -0.034 0.000 0.973 1134 Y HN 0.245 nan 8.280 nan 0.000 0.519 1135 C N -0.022 119.367 119.300 0.149 0.000 2.613 1135 C HA 0.389 4.851 4.460 0.004 0.000 0.273 1135 C C 1.771 176.779 174.990 0.031 0.000 1.304 1135 C CA 0.658 59.721 59.018 0.075 0.000 1.702 1135 C CB -0.985 26.725 27.740 -0.050 0.000 1.792 1135 C HN 0.884 nan 8.230 nan 0.000 0.588 1136 G N 0.891 109.646 108.800 -0.075 0.000 2.143 1136 G HA2 -0.238 3.724 3.960 0.004 0.000 0.249 1136 G HA3 -0.238 3.724 3.960 0.004 0.000 0.249 1136 G C 0.015 174.823 174.900 -0.153 0.000 0.981 1136 G CA -0.105 44.830 45.100 -0.274 0.000 0.665 1136 G HN 0.527 nan 8.290 nan 0.000 0.528 1137 L N 0.180 121.367 121.223 -0.061 0.000 2.453 1137 L HA 0.316 4.658 4.340 0.004 0.000 0.261 1137 L C 0.997 177.844 176.870 -0.039 0.000 1.179 1137 L CA -0.503 54.307 54.840 -0.050 0.000 0.813 1137 L CB 0.651 42.714 42.059 0.005 0.000 1.110 1137 L HN 0.208 nan 8.230 nan 0.000 0.466 1138 N N 1.959 120.603 118.700 -0.093 0.000 2.527 1138 N HA 0.045 4.787 4.740 0.004 0.000 0.236 1138 N C -0.998 174.595 175.510 0.139 0.000 0.999 1138 N CA -0.450 52.580 53.050 -0.034 0.000 0.935 1138 N CB 0.694 38.998 38.487 -0.304 0.000 1.132 1138 N HN 0.506 nan 8.380 nan 0.000 0.511 1139 W N 6.942 128.246 121.300 0.007 0.000 2.303 1139 W HA 0.175 4.837 4.660 0.003 0.000 0.318 1139 W C -1.122 175.454 176.519 0.095 0.000 1.362 1139 W CA -0.068 57.296 57.345 0.031 0.000 1.234 1139 W CB 0.546 30.020 29.460 0.023 0.000 1.248 1139 W HN 0.368 nan 8.180 nan 0.000 0.546 1140 L N 8.002 128.978 121.223 -0.412 0.000 2.352 1140 L HA 0.366 4.708 4.340 0.004 0.000 0.269 1140 L C -1.798 174.814 176.870 -0.429 0.000 1.034 1140 L CA -2.326 52.352 54.840 -0.269 0.000 0.806 1140 L CB 0.951 42.901 42.059 -0.181 0.000 1.244 1140 L HN 0.252 nan 8.230 nan 0.000 0.447 1141 P HA 0.082 nan 4.420 nan 0.000 0.264 1141 P C -2.445 174.826 177.300 -0.048 0.000 1.193 1141 P CA -0.703 62.390 63.100 -0.012 0.000 0.763 1141 P CB -0.176 31.573 31.700 0.081 0.000 0.810 1142 P HA 0.001 nan 4.420 nan 0.000 0.266 1142 P C -0.651 176.709 177.300 0.100 0.000 1.193 1142 P CA 0.242 63.416 63.100 0.122 0.000 0.770 1142 P CB 0.198 32.146 31.700 0.414 0.000 0.836 1143 F N 2.798 122.706 119.950 -0.071 0.000 2.411 1143 F HA 0.588 5.117 4.527 0.004 0.000 0.350 1143 F C -0.492 175.148 175.800 -0.268 0.000 1.114 1143 F CA -0.387 57.553 58.000 -0.100 0.000 1.135 1143 F CB 0.623 39.595 39.000 -0.047 0.000 1.120 1143 F HN 0.336 nan 8.300 nan 0.000 0.495 1144 A N 7.956 130.096 122.820 -1.134 0.000 2.393 1144 A HA 0.622 4.944 4.320 0.004 0.000 0.306 1144 A C -1.279 175.475 177.584 -1.382 0.000 1.050 1144 A CA -0.823 50.513 52.037 -1.168 0.000 0.724 1144 A CB 1.362 19.667 19.000 -1.158 0.000 1.248 1144 A HN 0.895 nan 8.150 nan 0.000 0.424 1145 M N 4.535 123.513 119.600 -1.037 0.000 2.036 1145 M HA 0.366 4.848 4.480 0.004 0.000 0.337 1145 M C -1.121 174.808 176.300 -0.618 0.000 1.012 1145 M CA -0.409 54.480 55.300 -0.685 0.000 0.962 1145 M CB 0.274 32.687 32.600 -0.311 0.000 1.423 1145 M HN 0.865 nan 8.290 nan 0.000 0.405 1146 H N 2.667 121.525 119.070 -0.354 0.000 2.508 1146 H HA 0.339 4.897 4.556 0.004 0.000 0.358 1146 H C 0.854 176.061 175.328 -0.201 0.000 1.212 1146 H CA -0.226 55.656 56.048 -0.278 0.000 1.356 1146 H CB 1.240 30.858 29.762 -0.241 0.000 1.525 1146 H HN 1.042 nan 8.280 nan 0.000 0.578 1147 C N 0.540 119.811 119.300 -0.049 0.000 4.534 1147 C HA -0.200 4.263 4.460 0.004 0.000 0.275 1147 C C 2.291 177.225 174.990 -0.093 0.000 1.291 1147 C CA 0.966 59.941 59.018 -0.072 0.000 1.876 1147 C CB -2.946 24.778 27.740 -0.027 0.000 1.339 1147 C HN 1.046 nan 8.230 nan 0.000 0.746 1148 T N -3.293 111.156 114.554 -0.176 0.000 2.962 1148 T HA -0.074 4.278 4.350 0.004 0.000 0.270 1148 T C 1.239 175.919 174.700 -0.033 0.000 1.088 1148 T CA 1.758 63.781 62.100 -0.128 0.000 1.127 1148 T CB -0.403 68.373 68.868 -0.154 0.000 0.883 1148 T HN 0.646 nan 8.240 nan 0.000 0.493 1149 F N 1.712 121.600 119.950 -0.103 0.000 2.171 1149 F HA 0.120 4.649 4.527 0.004 0.000 0.300 1149 F C 0.973 176.717 175.800 -0.094 0.000 1.090 1149 F CA 0.231 58.163 58.000 -0.114 0.000 1.293 1149 F CB 0.059 38.966 39.000 -0.156 0.000 1.013 1149 F HN 0.288 nan 8.300 nan 0.000 0.486 1150 I N -2.721 117.915 120.570 0.111 0.000 2.926 1150 I HA 0.282 4.454 4.170 0.004 0.000 0.295 1150 I C -1.106 175.017 176.117 0.010 0.000 1.463 1150 I CA -0.748 60.576 61.300 0.040 0.000 0.892 1150 I CB 0.722 38.739 38.000 0.029 0.000 1.874 1150 I HN -0.218 nan 8.210 nan 0.000 0.620 1151 C N 2.574 121.873 119.300 -0.002 0.000 2.293 1151 C HA 0.461 4.924 4.460 0.004 0.000 0.323 1151 C C 0.159 175.139 174.990 -0.015 0.000 1.240 1151 C CA -0.184 58.826 59.018 -0.013 0.000 1.497 1151 C CB 0.055 27.782 27.740 -0.022 0.000 2.171 1151 C HN 0.608 nan 8.230 nan 0.000 0.465 1152 D N 3.040 123.433 120.400 -0.011 0.000 2.586 1152 D HA -0.033 4.609 4.640 0.004 0.000 0.234 1152 D C 0.926 177.223 176.300 -0.004 0.000 1.132 1152 D CA 0.924 54.919 54.000 -0.008 0.000 0.860 1152 D CB 0.728 41.525 40.800 -0.006 0.000 1.159 1152 D HN 0.602 nan 8.370 nan 0.000 0.490 1153 D N 1.326 121.725 120.400 -0.002 0.000 2.351 1153 D HA -0.141 4.502 4.640 0.004 0.000 0.216 1153 D C 1.715 178.022 176.300 0.012 0.000 0.968 1153 D CA 0.746 54.750 54.000 0.007 0.000 0.899 1153 D CB 0.263 41.070 40.800 0.011 0.000 0.907 1153 D HN 0.620 nan 8.370 nan 0.000 0.514 1154 E N -0.998 119.207 120.200 0.008 0.000 2.216 1154 E HA -0.082 4.270 4.350 0.004 0.000 0.192 1154 E C 1.306 177.912 176.600 0.011 0.000 0.988 1154 E CA 0.918 57.324 56.400 0.010 0.000 0.834 1154 E CB -0.156 29.548 29.700 0.006 0.000 0.772 1154 E HN 0.110 nan 8.360 nan 0.000 0.479 1155 T N 1.526 116.083 114.554 0.005 0.000 2.896 1155 T HA -0.045 4.307 4.350 0.004 0.000 0.263 1155 T C 1.718 176.425 174.700 0.012 0.000 1.050 1155 T CA 0.675 62.776 62.100 0.001 0.000 1.140 1155 T CB -0.105 68.756 68.868 -0.011 0.000 0.877 1155 T HN 0.056 nan 8.240 nan 0.000 0.457 1156 L N 1.777 123.008 121.223 0.014 0.000 2.027 1156 L HA 0.081 4.424 4.340 0.004 0.000 0.206 1156 L C 2.171 179.067 176.870 0.043 0.000 1.074 1156 L CA 1.724 56.580 54.840 0.025 0.000 0.745 1156 L CB -1.003 41.071 42.059 0.024 0.000 0.898 1156 L HN 0.194 nan 8.230 nan 0.000 0.433 1157 E N -0.392 119.830 120.200 0.037 0.000 2.058 1157 E HA -0.187 4.165 4.350 0.004 0.000 0.194 1157 E C 2.053 178.686 176.600 0.055 0.000 0.997 1157 E CA 1.183 57.608 56.400 0.041 0.000 0.801 1157 E CB -0.596 29.122 29.700 0.030 0.000 0.746 1157 E HN 0.670 nan 8.360 nan 0.000 0.450 1158 G N 0.629 109.460 108.800 0.051 0.000 2.422 1158 G HA2 -0.268 3.694 3.960 0.004 0.000 0.218 1158 G HA3 -0.268 3.694 3.960 0.004 0.000 0.218 1158 G C 1.502 176.471 174.900 0.115 0.000 1.146 1158 G CA 0.405 45.543 45.100 0.063 0.000 0.769 1158 G HN 0.110 nan 8.290 nan 0.000 0.547 1159 Q N 0.094 119.968 119.800 0.124 0.000 2.137 1159 Q HA 0.100 4.442 4.340 0.004 0.000 0.198 1159 Q C 3.020 179.214 176.000 0.323 0.000 0.960 1159 Q CA 1.023 56.970 55.803 0.240 0.000 0.847 1159 Q CB -0.256 28.568 28.738 0.145 0.000 0.915 1159 Q HN 0.453 nan 8.270 nan 0.000 0.448 1160 A N 1.649 124.575 122.820 0.176 0.000 1.902 1160 A HA -0.206 4.116 4.320 0.004 0.000 0.217 1160 A C 2.116 179.762 177.584 0.103 0.000 1.181 1160 A CA 1.250 53.359 52.037 0.120 0.000 0.623 1160 A CB -0.408 18.633 19.000 0.069 0.000 0.818 1160 A HN 0.251 nan 8.150 nan 0.000 0.443 1161 R N -1.411 119.148 120.500 0.099 0.000 2.081 1161 R HA -0.146 4.196 4.340 0.004 0.000 0.235 1161 R C 2.262 178.614 176.300 0.086 0.000 1.131 1161 R CA 1.350 57.491 56.100 0.068 0.000 0.960 1161 R CB -0.715 29.627 30.300 0.069 0.000 0.856 1161 R HN 0.795 nan 8.270 nan 0.000 0.436 1162 H N -0.031 119.087 119.070 0.080 0.000 2.457 1162 H HA -0.169 4.390 4.556 0.004 0.000 0.294 1162 H C 1.757 177.109 175.328 0.039 0.000 1.064 1162 H CA 1.385 57.503 56.048 0.116 0.000 1.330 1162 H CB 0.091 29.991 29.762 0.230 0.000 1.395 1162 H HN 0.191 nan 8.280 nan 0.000 0.541 1163 Y N 2.181 122.243 120.300 -0.395 0.000 2.114 1163 Y HA -0.202 4.351 4.550 0.003 0.000 0.284 1163 Y C 2.750 178.350 175.900 -0.501 0.000 1.143 1163 Y CA 2.134 59.693 58.100 -0.903 0.000 1.135 1163 Y CB -0.456 37.379 38.460 -1.042 0.000 0.980 1163 Y HN 0.100 nan 8.280 nan 0.000 0.499 1164 K N -0.067 120.093 120.400 -0.400 0.000 2.044 1164 K HA -0.348 3.974 4.320 0.004 0.000 0.210 1164 K C 2.278 178.711 176.600 -0.279 0.000 1.049 1164 K CA 2.022 58.093 56.287 -0.359 0.000 0.927 1164 K CB -0.329 32.063 32.500 -0.179 0.000 0.713 1164 K HN 0.377 nan 8.250 nan 0.000 0.443 1165 Q N 0.788 120.466 119.800 -0.204 0.000 2.045 1165 Q HA -0.167 4.175 4.340 0.004 0.000 0.206 1165 Q C 2.086 177.973 176.000 -0.188 0.000 0.991 1165 Q CA 1.820 57.536 55.803 -0.145 0.000 0.851 1165 Q CB -0.094 28.604 28.738 -0.068 0.000 0.911 1165 Q HN 0.219 nan 8.270 nan 0.000 0.418 1166 R N -0.286 120.029 120.500 -0.308 0.000 2.105 1166 R HA -0.093 4.249 4.340 0.004 0.000 0.239 1166 R C 2.307 178.505 176.300 -0.170 0.000 1.135 1166 R CA 1.336 57.292 56.100 -0.242 0.000 0.967 1166 R CB -0.511 29.618 30.300 -0.285 0.000 0.861 1166 R HN 0.397 nan 8.270 nan 0.000 0.442 1167 L N 0.081 121.135 121.223 -0.281 0.000 2.072 1167 L HA -0.158 4.184 4.340 0.004 0.000 0.205 1167 L C 2.424 179.274 176.870 -0.034 0.000 1.079 1167 L CA 0.482 55.198 54.840 -0.206 0.000 0.752 1167 L CB -0.487 41.337 42.059 -0.392 0.000 0.906 1167 L HN 0.116 nan 8.230 nan 0.000 0.436 1168 L N 0.287 121.460 121.223 -0.083 0.000 2.042 1168 L HA -0.212 4.131 4.340 0.004 0.000 0.210 1168 L C 2.308 179.176 176.870 -0.003 0.000 1.076 1168 L CA 1.849 56.668 54.840 -0.036 0.000 0.749 1168 L CB -0.478 41.544 42.059 -0.060 0.000 0.893 1168 L HN 0.208 nan 8.230 nan 0.000 0.432 1169 E N -1.936 118.261 120.200 -0.005 0.000 2.274 1169 E HA -0.248 4.104 4.350 0.004 0.000 0.194 1169 E C 1.745 178.368 176.600 0.038 0.000 0.996 1169 E CA 1.105 57.507 56.400 0.004 0.000 0.840 1169 E CB -0.308 29.394 29.700 0.003 0.000 0.772 1169 E HN 0.702 nan 8.360 nan 0.000 0.491 1170 W N 2.235 123.485 121.300 -0.083 0.000 2.418 1170 W HA -0.166 4.496 4.660 0.004 0.000 0.292 1170 W C 2.148 178.669 176.519 0.004 0.000 1.213 1170 W CA 1.731 59.032 57.345 -0.072 0.000 1.283 1170 W CB 0.205 29.563 29.460 -0.169 0.000 1.119 1170 W HN -0.004 nan 8.180 nan 0.000 0.542 1171 Q N -0.691 119.098 119.800 -0.019 0.000 2.302 1171 Q HA -0.040 4.302 4.340 0.004 0.000 0.202 1171 Q C 1.680 177.561 176.000 -0.199 0.000 0.936 1171 Q CA 1.230 56.912 55.803 -0.203 0.000 0.886 1171 Q CB -0.757 28.041 28.738 0.101 0.000 0.986 1171 Q HN 0.364 nan 8.270 nan 0.000 0.487 1172 E N 1.437 121.562 120.200 -0.124 0.000 2.160 1172 E HA -0.154 4.198 4.350 0.004 0.000 0.195 1172 E C 1.862 178.352 176.600 -0.182 0.000 0.991 1172 E CA 1.172 57.499 56.400 -0.122 0.000 0.810 1172 E CB -0.069 29.584 29.700 -0.078 0.000 0.742 1172 E HN 0.540 nan 8.360 nan 0.000 0.466 1173 A N 0.283 122.961 122.820 -0.237 0.000 2.119 1173 A HA -0.008 4.314 4.320 0.004 0.000 0.216 1173 A C 0.338 177.548 177.584 -0.624 0.000 1.152 1173 A CA 0.842 52.673 52.037 -0.342 0.000 0.708 1173 A CB -0.084 18.756 19.000 -0.267 0.000 0.805 1173 A HN 0.151 nan 8.150 nan 0.000 0.460 1174 H N 0.000 118.714 119.070 -0.593 0.000 2.539 1174 H HA 0.000 4.558 4.556 0.004 0.000 0.296 1174 H CA 0.000 55.694 56.048 -0.590 0.000 1.023 1174 H CB 0.000 29.117 29.762 -1.075 0.000 1.292 1174 H HN 0.000 nan 8.280 nan 0.000 0.496