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 2xct_1_B DATA FIRST_RESID 417 DATA SEQUENCE KLADCSSKSP EECEIFLVEG DSAGGSTKSG RDSRTQAILP LRGKILNVEK DATA SEQUENCE ARLDRILNNN EIRQMITAFG TGIGGDFDLA KARYHKIVIM TDADVDGAHI DATA SEQUENCE RTLLLTFFYR FMRPLIEAGY VYIAQPPTGX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXYKGLGEM NADQLWETTM NPEHRALLQV KLEDAIEADQ DATA SEQUENCE TFEMLMGDVV ENRRQFIEDN AXXXXXXXXX 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 XXXNERNITS DATA SEQUENCE EMRESFLDYA MSVIVARALP DVRDGLKPVH RRILYGLNEQ GMTPDKSYKK DATA SEQUENCE SARIVGDVMG KYHPHGDSSI YEAMVRMAQD FSYRYPLVDG QGNFGSMDGD DATA SEQUENCE GAAAMRFTEA RMTKITLELL RDINKDTIDF IDNYDGNERE PSVLPARFPN DATA SEQUENCE LLANGASGIA VGMATNIPPH NLTELINGVL SLSKNPDISI AELMEDIEGP DATA SEQUENCE DFPTAGLILG KSGIRRAYET GRGSIQMRSR AVIEERGGGR QRIVVTEIPF DATA SEQUENCE QVNKARMIEK IAELVRDKKI DGITDLRDET SLRTGVRVVI DVRKDANASV DATA SEQUENCE ILNNLYKQTP LQTSFGVNMI ALVNGRPKLI NLKEALVHYL EHQKTVVRRR DATA SEQUENCE TQYNLRKAKD RAHILEGLRI ALDHIDEIIS TIRESDTDKV AMESLQQRFK DATA SEQUENCE LSEKQAQAIL DMRLRRLTGL ERDKIEAEYN ELLNYISELE TILADEEVLL DATA SEQUENCE QLVRDELTEI RDRFGDDRRT EIQLG 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 417 K HA 0.000 nan 4.320 nan 0.000 0.191 417 K C 0.000 176.614 176.600 0.023 0.000 0.988 417 K CA 0.000 56.296 56.287 0.015 0.000 0.838 417 K CB 0.000 32.507 32.500 0.011 0.000 1.064 418 L N 1.300 122.540 121.223 0.028 0.000 2.264 418 L HA 0.850 5.190 4.340 -0.000 0.000 0.289 418 L C 0.401 177.304 176.870 0.056 0.000 1.044 418 L CA -0.855 54.012 54.840 0.045 0.000 0.807 418 L CB 1.233 43.320 42.059 0.047 0.000 1.192 418 L HN 0.390 nan 8.230 nan 0.000 0.425 419 A N 4.128 126.985 122.820 0.061 0.000 2.923 419 A HA 0.290 4.610 4.320 -0.000 0.000 0.306 419 A C -0.074 177.559 177.584 0.081 0.000 1.542 419 A CA -0.568 51.503 52.037 0.057 0.000 1.225 419 A CB -0.850 18.173 19.000 0.038 0.000 1.147 419 A HN 0.778 nan 8.150 nan 0.000 0.542 420 D N 1.659 122.114 120.400 0.093 0.000 2.399 420 D HA 0.190 4.830 4.640 -0.000 0.000 0.241 420 D C 0.718 177.075 176.300 0.095 0.000 1.133 420 D CA -0.329 53.748 54.000 0.128 0.000 0.890 420 D CB 0.610 41.483 40.800 0.121 0.000 1.201 420 D HN 0.638 nan 8.370 nan 0.000 0.432 421 C N 2.131 121.500 119.300 0.115 0.000 2.679 421 C HA 0.208 4.668 4.460 -0.000 0.000 0.417 421 C C 2.263 177.274 174.990 0.036 0.000 1.302 421 C CA -0.120 58.942 59.018 0.074 0.000 1.973 421 C CB -0.432 27.361 27.740 0.089 0.000 2.715 421 C HN 0.622 nan 8.230 nan 0.000 0.628 422 S N 1.160 116.872 115.700 0.021 0.000 2.399 422 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 422 S C 1.004 175.600 174.600 -0.006 0.000 1.022 422 S CA 1.223 59.426 58.200 0.005 0.000 0.983 422 S CB -0.593 62.608 63.200 0.002 0.000 0.803 422 S HN 1.014 nan 8.310 nan 0.000 0.480 423 S N 1.542 117.238 115.700 -0.007 0.000 2.549 423 S HA 0.460 4.929 4.470 -0.000 0.000 0.286 423 S C 0.575 175.140 174.600 -0.058 0.000 1.314 423 S CA 0.364 58.547 58.200 -0.028 0.000 1.062 423 S CB 0.786 63.973 63.200 -0.022 0.000 0.865 423 S HN 0.759 nan 8.310 nan 0.000 0.498 424 K N 2.145 122.503 120.400 -0.070 0.000 2.506 424 K HA 0.419 4.739 4.320 -0.000 0.000 0.204 424 K C -0.052 176.478 176.600 -0.116 0.000 1.045 424 K CA -0.231 56.000 56.287 -0.092 0.000 1.074 424 K CB 0.292 32.755 32.500 -0.063 0.000 0.842 424 K HN 0.564 nan 8.250 nan 0.000 0.514 425 S N 2.216 117.840 115.700 -0.127 0.000 2.601 425 S HA 0.329 4.799 4.470 -0.000 0.000 0.312 425 S C -2.223 172.246 174.600 -0.219 0.000 1.107 425 S CA -1.165 56.947 58.200 -0.148 0.000 1.129 425 S CB 1.808 64.944 63.200 -0.108 0.000 0.982 425 S HN 0.113 nan 8.310 nan 0.000 0.469 426 P HA -0.267 nan 4.420 nan 0.000 0.217 426 P C 1.786 178.700 177.300 -0.643 0.000 1.162 426 P CA 1.343 64.139 63.100 -0.506 0.000 0.901 426 P CB 0.073 31.389 31.700 -0.640 0.000 0.793 427 E N 0.730 120.569 120.200 -0.602 0.000 2.253 427 E HA -0.259 4.091 4.350 -0.000 0.000 0.202 427 E C 1.349 177.851 176.600 -0.163 0.000 1.014 427 E CA 1.928 58.129 56.400 -0.332 0.000 0.823 427 E CB -0.996 28.611 29.700 -0.156 0.000 0.736 427 E HN 0.579 nan 8.360 nan 0.000 0.478 428 E N -0.431 119.682 120.200 -0.145 0.000 2.465 428 E HA 0.174 4.524 4.350 -0.000 0.000 0.209 428 E C 0.249 176.830 176.600 -0.031 0.000 0.951 428 E CA -0.167 56.193 56.400 -0.068 0.000 0.997 428 E CB 0.073 29.746 29.700 -0.046 0.000 1.025 428 E HN 0.009 nan 8.360 nan 0.000 0.500 429 C N 3.467 122.733 119.300 -0.056 0.000 2.482 429 C HA 0.281 4.741 4.460 -0.000 0.000 0.378 429 C C -0.105 175.014 174.990 0.215 0.000 1.284 429 C CA -0.528 58.514 59.018 0.040 0.000 1.826 429 C CB -0.827 26.834 27.740 -0.133 0.000 2.473 429 C HN 0.393 nan 8.230 nan 0.000 0.562 430 E N 3.679 124.081 120.200 0.337 0.000 2.244 430 E HA 0.500 4.850 4.350 -0.000 0.000 0.260 430 E C -0.920 175.842 176.600 0.270 0.000 0.884 430 E CA -0.542 56.015 56.400 0.261 0.000 0.777 430 E CB 1.365 31.099 29.700 0.057 0.000 1.197 430 E HN 0.679 nan 8.360 nan 0.000 0.416 431 I N 2.810 123.322 120.570 -0.096 0.000 2.882 431 I HA 0.259 4.429 4.170 -0.000 0.000 0.286 431 I C -1.104 174.971 176.117 -0.070 0.000 1.139 431 I CA -0.382 60.775 61.300 -0.238 0.000 1.379 431 I CB 0.463 38.075 38.000 -0.647 0.000 1.410 431 I HN 0.520 nan 8.210 nan 0.000 0.594 432 F N 6.342 126.287 119.950 -0.009 0.000 2.507 432 F HA 0.430 4.957 4.527 -0.000 0.000 0.328 432 F C -0.733 175.110 175.800 0.073 0.000 1.136 432 F CA -0.498 57.532 58.000 0.051 0.000 0.930 432 F CB 1.457 40.489 39.000 0.055 0.000 1.166 432 F HN 0.111 nan 8.300 nan 0.000 0.436 433 L N 5.381 126.729 121.223 0.209 0.000 2.265 433 L HA 0.722 5.062 4.340 -0.000 0.000 0.289 433 L C -0.137 176.837 176.870 0.172 0.000 1.033 433 L CA -1.043 53.909 54.840 0.186 0.000 0.814 433 L CB 0.961 43.146 42.059 0.210 0.000 1.203 433 L HN 0.436 nan 8.230 nan 0.000 0.423 434 V N -0.203 119.799 119.914 0.145 0.000 2.850 434 V HA 0.427 4.547 4.120 -0.000 0.000 0.315 434 V C 0.935 177.076 176.094 0.078 0.000 1.064 434 V CA -0.502 61.871 62.300 0.122 0.000 0.979 434 V CB 2.231 34.122 31.823 0.112 0.000 1.039 434 V HN 0.781 nan 8.190 nan 0.000 0.452 435 E N 2.212 122.452 120.200 0.066 0.000 2.031 435 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 435 E C 0.993 177.614 176.600 0.035 0.000 0.994 435 E CA 1.851 58.277 56.400 0.044 0.000 0.800 435 E CB -0.106 29.620 29.700 0.042 0.000 0.752 435 E HN 0.980 nan 8.360 nan 0.000 0.447 436 G N -0.534 108.288 108.800 0.036 0.000 2.990 436 G HA2 0.166 4.126 3.960 -0.000 0.000 0.208 436 G HA3 0.166 4.126 3.960 -0.000 0.000 0.208 436 G C 0.038 174.954 174.900 0.027 0.000 1.334 436 G CA -0.119 44.998 45.100 0.028 0.000 1.024 436 G HN -0.058 nan 8.290 nan 0.000 0.574 437 D N -0.207 120.206 120.400 0.021 0.000 2.106 437 D HA 0.001 4.641 4.640 -0.000 0.000 0.203 437 D C 2.821 179.132 176.300 0.019 0.000 0.977 437 D CA 1.539 55.551 54.000 0.019 0.000 0.844 437 D CB -0.429 40.379 40.800 0.014 0.000 1.002 437 D HN 0.232 nan 8.370 nan 0.000 0.461 438 S N 1.058 116.767 115.700 0.016 0.000 2.354 438 S HA -0.207 4.263 4.470 -0.000 0.000 0.219 438 S C 2.164 176.775 174.600 0.019 0.000 1.035 438 S CA 1.475 59.684 58.200 0.014 0.000 1.037 438 S CB -0.743 62.463 63.200 0.010 0.000 0.956 438 S HN 0.379 nan 8.310 nan 0.000 0.428 439 A N 1.838 124.673 122.820 0.025 0.000 1.893 439 A HA -0.238 4.081 4.320 -0.000 0.000 0.222 439 A C 2.392 179.998 177.584 0.036 0.000 1.309 439 A CA 2.503 54.561 52.037 0.034 0.000 0.681 439 A CB -1.887 17.138 19.000 0.042 0.000 0.842 439 A HN 0.595 nan 8.150 nan 0.000 0.468 440 G N -1.343 107.481 108.800 0.038 0.000 2.529 440 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.219 440 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.219 440 G C 1.625 176.540 174.900 0.025 0.000 1.177 440 G CA 1.581 46.705 45.100 0.039 0.000 0.773 440 G HN 1.046 nan 8.290 nan 0.000 0.573 441 G N 0.203 109.014 108.800 0.018 0.000 2.422 441 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.218 441 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.218 441 G C 2.152 177.054 174.900 0.005 0.000 1.146 441 G CA 1.468 46.573 45.100 0.009 0.000 0.769 441 G HN 0.449 nan 8.290 nan 0.000 0.547 442 S N 0.358 116.064 115.700 0.010 0.000 2.368 442 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 442 S C 2.601 177.206 174.600 0.008 0.000 1.029 442 S CA 1.695 59.901 58.200 0.010 0.000 0.988 442 S CB -0.445 62.767 63.200 0.020 0.000 0.838 442 S HN 0.495 nan 8.310 nan 0.000 0.462 443 T N 2.453 117.012 114.554 0.008 0.000 2.622 443 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 443 T C 2.386 177.063 174.700 -0.038 0.000 1.047 443 T CA 1.983 64.072 62.100 -0.017 0.000 1.159 443 T CB -0.872 67.984 68.868 -0.019 0.000 0.863 443 T HN 0.591 nan 8.240 nan 0.000 0.422 444 K N 1.088 121.475 120.400 -0.022 0.000 2.228 444 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 444 K C 2.453 179.033 176.600 -0.032 0.000 1.045 444 K CA 2.122 58.396 56.287 -0.022 0.000 0.931 444 K CB -1.127 31.372 32.500 -0.002 0.000 0.727 444 K HN 0.436 nan 8.250 nan 0.000 0.458 445 S N -1.149 114.531 115.700 -0.032 0.000 2.468 445 S HA 0.161 4.631 4.470 -0.000 0.000 0.226 445 S C 2.291 176.842 174.600 -0.080 0.000 1.051 445 S CA 0.889 59.059 58.200 -0.049 0.000 0.943 445 S CB -0.114 63.063 63.200 -0.038 0.000 0.810 445 S HN 0.668 nan 8.310 nan 0.000 0.509 446 G N 2.089 110.859 108.800 -0.050 0.000 2.920 446 G HA2 0.108 4.068 3.960 -0.000 0.000 0.208 446 G HA3 0.108 4.068 3.960 -0.000 0.000 0.208 446 G C 0.600 175.497 174.900 -0.004 0.000 1.159 446 G CA -0.393 44.676 45.100 -0.052 0.000 0.784 446 G HN 0.650 nan 8.290 nan 0.000 0.535 447 R N 0.164 120.652 120.500 -0.020 0.000 2.637 447 R HA 0.274 4.614 4.340 -0.000 0.000 0.269 447 R C -1.256 175.030 176.300 -0.023 0.000 1.089 447 R CA -0.520 55.587 56.100 0.012 0.000 1.177 447 R CB 0.532 30.780 30.300 -0.087 0.000 1.091 447 R HN -0.089 nan 8.270 nan 0.000 0.540 448 D N 0.717 121.173 120.400 0.093 0.000 2.347 448 D HA 0.054 4.694 4.640 -0.000 0.000 0.235 448 D C 0.684 177.009 176.300 0.042 0.000 1.149 448 D CA -0.263 53.775 54.000 0.063 0.000 0.850 448 D CB 1.454 42.385 40.800 0.218 0.000 1.061 448 D HN 0.613 nan 8.370 nan 0.000 0.487 449 S N 3.885 119.586 115.700 0.002 0.000 2.442 449 S HA -0.162 4.308 4.470 -0.000 0.000 0.236 449 S C 1.771 176.392 174.600 0.035 0.000 1.007 449 S CA 0.521 58.730 58.200 0.016 0.000 0.965 449 S CB -0.011 63.185 63.200 -0.006 0.000 0.773 449 S HN 0.486 nan 8.310 nan 0.000 0.504 450 R N 1.022 121.543 120.500 0.035 0.000 2.075 450 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 450 R C 1.925 178.257 176.300 0.053 0.000 1.126 450 R CA 1.844 57.965 56.100 0.036 0.000 0.963 450 R CB -0.288 30.032 30.300 0.033 0.000 0.858 450 R HN 0.761 nan 8.270 nan 0.000 0.435 451 T N -4.080 110.526 114.554 0.086 0.000 3.029 451 T HA 0.130 4.479 4.350 -0.000 0.000 0.256 451 T C 0.351 175.162 174.700 0.185 0.000 0.914 451 T CA -0.388 61.778 62.100 0.109 0.000 0.880 451 T CB 0.556 69.480 68.868 0.093 0.000 1.246 451 T HN -0.003 nan 8.240 nan 0.000 0.523 452 Q N 1.798 121.707 119.800 0.182 0.000 2.430 452 Q HA 0.731 5.071 4.340 -0.000 0.000 0.245 452 Q C -0.948 175.166 176.000 0.190 0.000 1.021 452 Q CA -0.568 55.369 55.803 0.223 0.000 0.867 452 Q CB 1.523 30.284 28.738 0.038 0.000 1.210 452 Q HN 0.511 nan 8.270 nan 0.000 0.487 453 A N 3.771 126.779 122.820 0.312 0.000 2.292 453 A HA 0.654 4.974 4.320 -0.000 0.000 0.319 453 A C -0.576 177.151 177.584 0.239 0.000 1.206 453 A CA -0.551 51.644 52.037 0.263 0.000 0.835 453 A CB 0.545 19.773 19.000 0.379 0.000 1.164 453 A HN 0.756 nan 8.150 nan 0.000 0.505 454 I N 2.479 123.145 120.570 0.160 0.000 2.389 454 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 454 I C -0.842 175.342 176.117 0.111 0.000 0.999 454 I CA -0.530 60.866 61.300 0.160 0.000 1.129 454 I CB 1.837 39.894 38.000 0.094 0.000 1.288 454 I HN 0.592 nan 8.210 nan 0.000 0.444 455 L N 9.979 131.269 121.223 0.112 0.000 2.316 455 L HA 0.657 4.997 4.340 -0.000 0.000 0.280 455 L C -2.646 174.274 176.870 0.083 0.000 1.006 455 L CA -1.556 53.325 54.840 0.068 0.000 0.836 455 L CB 1.133 43.207 42.059 0.024 0.000 1.221 455 L HN 0.241 nan 8.230 nan 0.000 0.418 456 P HA 0.279 nan 4.420 nan 0.000 0.281 456 P C -1.331 175.993 177.300 0.040 0.000 1.249 456 P CA -0.399 62.736 63.100 0.059 0.000 0.810 456 P CB 0.877 32.604 31.700 0.045 0.000 1.008 457 L N 2.827 124.072 121.223 0.037 0.000 2.313 457 L HA 0.400 4.740 4.340 -0.000 0.000 0.283 457 L C 0.671 177.549 176.870 0.013 0.000 1.013 457 L CA -0.413 54.438 54.840 0.018 0.000 0.816 457 L CB 1.114 43.181 42.059 0.015 0.000 1.236 457 L HN 0.359 nan 8.230 nan 0.000 0.419 458 R N 1.989 122.492 120.500 0.004 0.000 2.267 458 R HA 0.466 4.806 4.340 -0.000 0.000 0.319 458 R C 1.019 177.321 176.300 0.002 0.000 1.067 458 R CA 0.109 56.212 56.100 0.005 0.000 0.936 458 R CB 0.483 30.785 30.300 0.002 0.000 1.006 458 R HN 0.863 nan 8.270 nan 0.000 0.452 459 G N 3.065 111.871 108.800 0.010 0.000 2.568 459 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.334 459 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.334 459 G C -0.232 174.666 174.900 -0.002 0.000 1.348 459 G CA 0.232 45.340 45.100 0.012 0.000 0.949 459 G HN 0.469 nan 8.290 nan 0.000 0.532 460 K N -0.106 120.295 120.400 0.001 0.000 2.180 460 K HA 0.561 4.881 4.320 -0.000 0.000 0.251 460 K C 1.174 177.750 176.600 -0.040 0.000 1.014 460 K CA -0.332 55.946 56.287 -0.016 0.000 0.913 460 K CB 0.282 32.796 32.500 0.024 0.000 1.008 460 K HN 0.399 nan 8.250 nan 0.000 0.490 461 I N 0.265 120.793 120.570 -0.070 0.000 4.317 461 I HA 0.413 4.583 4.170 -0.000 0.000 0.230 461 I C -0.177 175.888 176.117 -0.087 0.000 1.377 461 I CA -0.822 60.421 61.300 -0.096 0.000 1.268 461 I CB -0.300 37.623 38.000 -0.129 0.000 1.507 461 I HN 0.313 nan 8.210 nan 0.000 0.552 462 L N 1.100 122.249 121.223 -0.123 0.000 2.333 462 L HA 0.430 4.770 4.340 -0.000 0.000 0.269 462 L C -0.198 176.628 176.870 -0.073 0.000 1.010 462 L CA -0.297 54.487 54.840 -0.094 0.000 0.818 462 L CB 1.340 43.324 42.059 -0.125 0.000 1.306 462 L HN 0.418 nan 8.230 nan 0.000 0.430 463 N N 2.201 120.890 118.700 -0.017 0.000 2.437 463 N HA 0.109 4.849 4.740 -0.000 0.000 0.243 463 N C 0.540 176.074 175.510 0.040 0.000 1.041 463 N CA -0.013 53.052 53.050 0.024 0.000 0.940 463 N CB 1.268 39.787 38.487 0.054 0.000 1.133 463 N HN 0.608 nan 8.380 nan 0.000 0.506 464 V N 1.421 121.376 119.914 0.068 0.000 3.636 464 V HA 0.119 4.239 4.120 -0.000 0.000 0.279 464 V C 1.250 177.478 176.094 0.223 0.000 1.263 464 V CA 0.745 63.127 62.300 0.137 0.000 1.182 464 V CB -0.269 31.646 31.823 0.153 0.000 0.955 464 V HN 0.506 nan 8.190 nan 0.000 0.443 465 E N 0.846 121.139 120.200 0.154 0.000 2.256 465 E HA 0.147 4.497 4.350 -0.000 0.000 0.198 465 E C 2.093 178.748 176.600 0.092 0.000 0.908 465 E CA 0.657 57.137 56.400 0.134 0.000 0.915 465 E CB 0.179 29.951 29.700 0.119 0.000 0.890 465 E HN 0.538 nan 8.360 nan 0.000 0.484 466 K N -0.079 120.366 120.400 0.076 0.000 2.262 466 K HA 0.286 4.606 4.320 -0.000 0.000 0.200 466 K C 0.268 176.902 176.600 0.055 0.000 1.049 466 K CA 0.542 56.864 56.287 0.059 0.000 0.979 466 K CB 0.650 33.183 32.500 0.054 0.000 0.773 466 K HN 0.067 nan 8.250 nan 0.000 0.474 467 A N 2.006 124.862 122.820 0.060 0.000 2.306 467 A HA 0.445 4.765 4.320 -0.000 0.000 0.330 467 A C -0.309 177.319 177.584 0.074 0.000 1.146 467 A CA -0.813 51.255 52.037 0.051 0.000 0.827 467 A CB 0.654 19.671 19.000 0.028 0.000 1.178 467 A HN 0.208 nan 8.150 nan 0.000 0.490 468 R N 0.924 121.461 120.500 0.063 0.000 2.691 468 R HA 0.590 4.930 4.340 -0.000 0.000 0.259 468 R C 0.152 176.503 176.300 0.085 0.000 1.048 468 R CA -0.855 55.291 56.100 0.077 0.000 1.086 468 R CB 0.270 30.603 30.300 0.055 0.000 1.166 468 R HN 0.435 nan 8.270 nan 0.000 0.526 469 L N 1.608 122.892 121.223 0.102 0.000 2.056 469 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 469 L C 1.986 178.905 176.870 0.082 0.000 1.078 469 L CA 2.099 57.015 54.840 0.127 0.000 0.749 469 L CB -0.957 41.190 42.059 0.148 0.000 0.901 469 L HN 0.950 nan 8.230 nan 0.000 0.433 470 D N -1.134 119.301 120.400 0.058 0.000 2.203 470 D HA -0.329 4.311 4.640 -0.000 0.000 0.199 470 D C 2.068 178.384 176.300 0.027 0.000 0.997 470 D CA 1.515 55.539 54.000 0.040 0.000 0.863 470 D CB -0.157 40.661 40.800 0.030 0.000 0.928 470 D HN 0.282 nan 8.370 nan 0.000 0.458 471 R N 0.792 121.307 120.500 0.025 0.000 2.090 471 R HA 0.135 4.475 4.340 -0.000 0.000 0.219 471 R C 2.560 178.849 176.300 -0.018 0.000 1.100 471 R CA 0.506 56.609 56.100 0.005 0.000 0.991 471 R CB -0.474 29.832 30.300 0.009 0.000 0.893 471 R HN 0.210 nan 8.270 nan 0.000 0.443 472 I N 0.530 121.091 120.570 -0.014 0.000 2.127 472 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 472 I C 2.052 178.111 176.117 -0.098 0.000 1.075 472 I CA 1.440 62.688 61.300 -0.086 0.000 1.334 472 I CB -0.401 37.552 38.000 -0.078 0.000 1.040 472 I HN 0.159 nan 8.210 nan 0.000 0.405 473 L N 0.649 121.859 121.223 -0.022 0.000 2.042 473 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 473 L C 1.606 178.464 176.870 -0.019 0.000 1.076 473 L CA 1.344 56.183 54.840 -0.001 0.000 0.749 473 L CB -0.736 41.351 42.059 0.047 0.000 0.893 473 L HN 0.371 nan 8.230 nan 0.000 0.432 474 N N -0.048 118.642 118.700 -0.018 0.000 2.434 474 N HA -0.033 4.707 4.740 -0.000 0.000 0.196 474 N C 0.281 175.769 175.510 -0.037 0.000 1.183 474 N CA 0.196 53.236 53.050 -0.018 0.000 0.849 474 N CB -0.428 38.055 38.487 -0.007 0.000 0.992 474 N HN 0.350 nan 8.380 nan 0.000 0.460 475 N N 0.420 119.081 118.700 -0.065 0.000 2.489 475 N HA 0.121 4.861 4.740 -0.000 0.000 0.284 475 N C 0.362 175.814 175.510 -0.096 0.000 1.158 475 N CA -0.222 52.777 53.050 -0.086 0.000 0.965 475 N CB 1.494 39.907 38.487 -0.123 0.000 1.195 475 N HN 0.022 nan 8.380 nan 0.000 0.506 476 N N 0.586 119.233 118.700 -0.088 0.000 2.322 476 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 476 N C 0.558 176.010 175.510 -0.097 0.000 1.037 476 N CA 0.340 53.346 53.050 -0.075 0.000 0.869 476 N CB 0.157 38.614 38.487 -0.050 0.000 1.036 476 N HN 0.451 nan 8.380 nan 0.000 0.439 477 E N 0.911 121.046 120.200 -0.108 0.000 2.219 477 E HA -0.148 4.202 4.350 -0.000 0.000 0.198 477 E C 1.682 178.180 176.600 -0.169 0.000 0.998 477 E CA 0.663 56.996 56.400 -0.111 0.000 0.818 477 E CB -0.046 29.592 29.700 -0.103 0.000 0.741 477 E HN 0.463 nan 8.360 nan 0.000 0.477 478 I N -0.094 120.306 120.570 -0.284 0.000 2.201 478 I HA -0.158 4.012 4.170 -0.000 0.000 0.233 478 I C 2.119 178.123 176.117 -0.188 0.000 1.067 478 I CA 0.944 61.955 61.300 -0.481 0.000 1.354 478 I CB -1.080 36.508 38.000 -0.687 0.000 1.108 478 I HN 0.077 nan 8.210 nan 0.000 0.411 479 R N 0.741 121.163 120.500 -0.130 0.000 2.134 479 R HA -0.262 4.078 4.340 -0.000 0.000 0.248 479 R C 2.293 178.569 176.300 -0.040 0.000 1.143 479 R CA 1.790 57.866 56.100 -0.040 0.000 0.957 479 R CB -0.524 29.755 30.300 -0.035 0.000 0.867 479 R HN 0.518 nan 8.270 nan 0.000 0.441 480 Q N -0.119 119.642 119.800 -0.065 0.000 2.096 480 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 480 Q C 2.219 178.145 176.000 -0.123 0.000 0.982 480 Q CA 1.659 57.422 55.803 -0.067 0.000 0.850 480 Q CB -0.041 28.662 28.738 -0.057 0.000 0.901 480 Q HN 0.431 nan 8.270 nan 0.000 0.422 481 M N -0.353 119.157 119.600 -0.150 0.000 2.254 481 M HA -0.135 4.345 4.480 -0.000 0.000 0.265 481 M C 2.078 178.074 176.300 -0.506 0.000 1.066 481 M CA 1.073 56.142 55.300 -0.385 0.000 1.123 481 M CB -0.095 32.477 32.600 -0.046 0.000 1.388 481 M HN 0.256 nan 8.290 nan 0.000 0.425 482 I N -0.132 120.398 120.570 -0.066 0.000 2.202 482 I HA -0.269 3.900 4.170 -0.000 0.000 0.242 482 I C 2.232 178.371 176.117 0.036 0.000 1.091 482 I CA 1.483 62.835 61.300 0.088 0.000 1.368 482 I CB -0.318 37.795 38.000 0.188 0.000 1.058 482 I HN 0.333 nan 8.210 nan 0.000 0.410 483 T N 0.644 115.198 114.554 -0.000 0.000 2.708 483 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 483 T C 2.060 176.781 174.700 0.034 0.000 1.037 483 T CA 1.137 63.252 62.100 0.025 0.000 1.146 483 T CB -0.593 68.285 68.868 0.015 0.000 0.865 483 T HN 0.432 nan 8.240 nan 0.000 0.435 484 A N 1.960 124.745 122.820 -0.058 0.000 1.869 484 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 484 A C 2.019 179.767 177.584 0.273 0.000 1.203 484 A CA 1.919 53.957 52.037 0.002 0.000 0.638 484 A CB -1.200 17.641 19.000 -0.265 0.000 0.831 484 A HN 0.432 nan 8.150 nan 0.000 0.450 485 F N -0.430 119.650 119.950 0.216 0.000 2.134 485 F HA 0.206 4.733 4.527 -0.000 0.000 0.299 485 F C 2.096 178.000 175.800 0.173 0.000 1.097 485 F CA 0.415 58.559 58.000 0.240 0.000 1.264 485 F CB -1.528 37.543 39.000 0.118 0.000 1.001 485 F HN 0.471 nan 8.300 nan 0.000 0.479 486 G N 0.232 109.192 108.800 0.267 0.000 2.333 486 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.296 486 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.296 486 G C 0.698 175.647 174.900 0.082 0.000 1.059 486 G CA 0.767 45.953 45.100 0.143 0.000 1.050 486 G HN 0.589 nan 8.290 nan 0.000 0.508 487 T N -2.916 111.684 114.554 0.077 0.000 3.397 487 T HA 0.706 5.056 4.350 -0.000 0.000 0.233 487 T C 1.348 175.984 174.700 -0.107 0.000 0.969 487 T CA 1.060 63.078 62.100 -0.137 0.000 1.316 487 T CB 1.269 69.955 68.868 -0.303 0.000 1.175 487 T HN 2.222 nan 8.240 nan 0.000 0.381 488 G N 1.361 110.212 108.800 0.085 0.000 2.337 488 G HA2 0.359 4.319 3.960 -0.000 0.000 0.310 488 G HA3 0.359 4.319 3.960 -0.000 0.000 0.310 488 G C -1.332 173.776 174.900 0.347 0.000 1.534 488 G CA -0.625 44.577 45.100 0.170 0.000 0.982 488 G HN 1.131 nan 8.290 nan 0.000 0.672 489 I N 0.208 120.950 120.570 0.287 0.000 2.353 489 I HA 0.736 4.906 4.170 -0.000 0.000 0.293 489 I C 1.160 177.380 176.117 0.172 0.000 0.992 489 I CA 0.407 61.901 61.300 0.324 0.000 1.268 489 I CB 1.262 39.536 38.000 0.458 0.000 1.387 489 I HN 2.288 nan 8.210 nan 0.000 0.478 490 G N 4.971 113.792 108.800 0.034 0.000 2.634 490 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.318 490 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.318 490 G C 0.854 175.748 174.900 -0.010 0.000 1.207 490 G CA 0.671 45.710 45.100 -0.102 0.000 0.987 490 G HN 1.267 nan 8.290 nan 0.000 0.547 491 G N -0.258 108.536 108.800 -0.010 0.000 2.422 491 G HA2 0.051 4.011 3.960 -0.000 0.000 0.218 491 G HA3 0.051 4.011 3.960 -0.000 0.000 0.218 491 G C 1.217 176.149 174.900 0.055 0.000 1.140 491 G CA 1.603 46.709 45.100 0.010 0.000 0.775 491 G HN 0.649 nan 8.290 nan 0.000 0.545 492 D N -0.194 120.250 120.400 0.073 0.000 2.384 492 D HA -0.032 4.608 4.640 -0.000 0.000 0.222 492 D C 0.643 176.986 176.300 0.071 0.000 0.976 492 D CA -0.061 53.977 54.000 0.064 0.000 0.915 492 D CB -0.133 40.709 40.800 0.071 0.000 0.896 492 D HN 0.254 nan 8.370 nan 0.000 0.523 493 F N 1.513 121.444 119.950 -0.032 0.000 2.553 493 F HA 0.120 4.647 4.527 -0.000 0.000 0.356 493 F C 0.344 176.114 175.800 -0.051 0.000 1.142 493 F CA 0.233 58.205 58.000 -0.046 0.000 1.322 493 F CB 0.615 39.565 39.000 -0.083 0.000 1.126 493 F HN -0.294 nan 8.300 nan 0.000 0.599 494 D N 4.785 124.751 120.400 -0.723 0.000 2.591 494 D HA 0.119 4.759 4.640 -0.000 0.000 0.222 494 D C 0.087 176.035 176.300 -0.587 0.000 1.360 494 D CA -0.512 53.233 54.000 -0.424 0.000 0.967 494 D CB 1.102 41.753 40.800 -0.247 0.000 1.456 494 D HN 0.427 nan 8.370 nan 0.000 0.588 495 L N 4.137 125.164 121.223 -0.327 0.000 2.201 495 L HA 0.195 4.535 4.340 -0.000 0.000 0.212 495 L C 1.799 178.581 176.870 -0.147 0.000 1.105 495 L CA 2.419 57.108 54.840 -0.250 0.000 0.775 495 L CB -0.481 41.501 42.059 -0.127 0.000 0.913 495 L HN 0.493 nan 8.230 nan 0.000 0.440 496 A N -0.828 121.935 122.820 -0.094 0.000 1.929 496 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 496 A C 2.316 179.901 177.584 0.002 0.000 1.176 496 A CA 1.346 53.381 52.037 -0.004 0.000 0.628 496 A CB -0.473 18.521 19.000 -0.010 0.000 0.816 496 A HN 0.432 nan 8.150 nan 0.000 0.444 497 K N 0.102 120.459 120.400 -0.073 0.000 2.515 497 K HA 0.080 4.400 4.320 -0.000 0.000 0.196 497 K C 0.632 177.224 176.600 -0.013 0.000 1.038 497 K CA 0.358 56.611 56.287 -0.056 0.000 0.967 497 K CB -0.349 32.093 32.500 -0.097 0.000 0.780 497 K HN 0.462 nan 8.250 nan 0.000 0.483 498 A N 1.824 124.654 122.820 0.017 0.000 2.484 498 A HA 0.014 4.334 4.320 -0.000 0.000 0.268 498 A C 0.883 178.576 177.584 0.183 0.000 1.114 498 A CA -0.108 52.006 52.037 0.129 0.000 0.780 498 A CB 0.263 19.375 19.000 0.186 0.000 1.061 498 A HN 0.222 nan 8.150 nan 0.000 0.505 499 R N 1.414 122.003 120.500 0.148 0.000 2.117 499 R HA -0.145 4.194 4.340 -0.000 0.000 0.243 499 R C -0.420 175.728 176.300 -0.253 0.000 1.143 499 R CA 1.470 57.517 56.100 -0.089 0.000 0.968 499 R CB -0.413 29.796 30.300 -0.150 0.000 0.863 499 R HN 0.787 nan 8.270 nan 0.000 0.444 500 Y N -1.813 118.612 120.300 0.209 0.000 2.598 500 Y HA 0.354 4.904 4.550 -0.000 0.000 0.340 500 Y C 1.107 177.152 175.900 0.241 0.000 1.038 500 Y CA -0.875 57.319 58.100 0.158 0.000 1.100 500 Y CB 1.359 39.901 38.460 0.138 0.000 1.281 500 Y HN -0.062 nan 8.280 nan 0.000 0.488 501 H N -0.346 118.630 119.070 -0.156 0.000 3.230 501 H HA 0.321 4.877 4.556 -0.000 0.000 0.259 501 H C -0.816 174.199 175.328 -0.522 0.000 1.195 501 H CA -0.125 55.401 56.048 -0.869 0.000 1.112 501 H CB 0.849 30.193 29.762 -0.698 0.000 1.638 501 H HN 0.380 nan 8.280 nan 0.000 0.624 502 K N 1.647 122.006 120.400 -0.068 0.000 2.615 502 K HA 0.257 4.577 4.320 -0.000 0.000 0.249 502 K C -1.528 175.045 176.600 -0.045 0.000 0.977 502 K CA -0.743 55.504 56.287 -0.066 0.000 0.833 502 K CB 2.553 34.835 32.500 -0.363 0.000 1.208 502 K HN -0.053 nan 8.250 nan 0.000 0.443 503 I N 3.502 124.088 120.570 0.027 0.000 2.337 503 I HA 0.135 4.304 4.170 -0.000 0.000 0.285 503 I C -0.297 175.802 176.117 -0.031 0.000 1.041 503 I CA -0.668 60.577 61.300 -0.093 0.000 1.199 503 I CB 1.427 39.265 38.000 -0.271 0.000 1.370 503 I HN 0.211 nan 8.210 nan 0.000 0.470 504 V N 7.565 127.326 119.914 -0.255 0.000 2.407 504 V HA 0.369 4.489 4.120 -0.000 0.000 0.278 504 V C 0.398 176.444 176.094 -0.080 0.000 1.037 504 V CA -0.543 61.583 62.300 -0.290 0.000 0.900 504 V CB 1.287 32.551 31.823 -0.931 0.000 0.983 504 V HN 0.393 nan 8.190 nan 0.000 0.459 505 I N 5.669 126.274 120.570 0.059 0.000 2.287 505 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 505 I C 0.078 176.251 176.117 0.094 0.000 1.069 505 I CA 0.135 61.501 61.300 0.110 0.000 1.237 505 I CB 0.873 38.945 38.000 0.120 0.000 1.418 505 I HN 0.584 nan 8.210 nan 0.000 0.481 506 M N 7.673 127.347 119.600 0.122 0.000 2.208 506 M HA 0.270 4.750 4.480 -0.000 0.000 0.352 506 M C -0.107 176.253 176.300 0.100 0.000 1.137 506 M CA -0.212 55.169 55.300 0.136 0.000 1.091 506 M CB 0.510 33.242 32.600 0.221 0.000 1.309 506 M HN 0.618 nan 8.290 nan 0.000 0.408 507 T N -0.029 114.568 114.554 0.072 0.000 2.924 507 T HA 0.637 4.987 4.350 -0.000 0.000 0.291 507 T C -0.552 174.180 174.700 0.055 0.000 1.045 507 T CA -1.034 61.098 62.100 0.053 0.000 1.015 507 T CB 1.337 70.220 68.868 0.026 0.000 1.103 507 T HN 0.532 nan 8.240 nan 0.000 0.496 508 D N 1.160 121.590 120.400 0.050 0.000 2.411 508 D HA 0.427 5.066 4.640 -0.000 0.000 0.251 508 D C 0.329 176.660 176.300 0.052 0.000 1.201 508 D CA -0.941 53.089 54.000 0.050 0.000 0.996 508 D CB 0.214 41.040 40.800 0.043 0.000 1.101 508 D HN 0.821 nan 8.370 nan 0.000 0.504 509 A N 0.793 123.643 122.820 0.050 0.000 3.077 509 A HA 0.311 4.630 4.320 -0.000 0.000 0.255 509 A C -0.687 176.931 177.584 0.056 0.000 1.728 509 A CA -0.466 51.603 52.037 0.053 0.000 1.383 509 A CB -1.165 17.864 19.000 0.048 0.000 1.097 509 A HN 0.521 nan 8.150 nan 0.000 0.634 510 D N -1.079 119.360 120.400 0.066 0.000 2.819 510 D HA 0.288 4.928 4.640 -0.000 0.000 0.232 510 D C 0.891 177.259 176.300 0.114 0.000 1.160 510 D CA -0.138 53.910 54.000 0.079 0.000 0.858 510 D CB 0.803 41.642 40.800 0.066 0.000 1.610 510 D HN 0.249 nan 8.370 nan 0.000 0.481 511 V N -0.237 119.764 119.914 0.144 0.000 2.324 511 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 511 V C 1.359 177.665 176.094 0.352 0.000 1.060 511 V CA 2.015 64.456 62.300 0.235 0.000 1.042 511 V CB -0.868 31.078 31.823 0.206 0.000 0.650 511 V HN 0.482 nan 8.190 nan 0.000 0.450 512 D N 1.556 122.154 120.400 0.329 0.000 2.228 512 D HA -0.071 4.569 4.640 -0.000 0.000 0.203 512 D C 2.132 178.499 176.300 0.111 0.000 0.988 512 D CA 1.815 55.993 54.000 0.298 0.000 0.864 512 D CB -0.606 40.334 40.800 0.234 0.000 0.928 512 D HN 0.623 nan 8.370 nan 0.000 0.469 513 G N -0.000 108.852 108.800 0.087 0.000 2.453 513 G HA2 0.027 3.987 3.960 -0.000 0.000 0.215 513 G HA3 0.027 3.987 3.960 -0.000 0.000 0.215 513 G C 1.680 176.581 174.900 0.002 0.000 1.147 513 G CA 0.666 45.784 45.100 0.030 0.000 0.802 513 G HN 0.347 nan 8.290 nan 0.000 0.535 514 A N 0.735 123.581 122.820 0.042 0.000 1.892 514 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 514 A C 2.144 179.712 177.584 -0.026 0.000 1.188 514 A CA 2.041 54.101 52.037 0.039 0.000 0.631 514 A CB -1.019 18.043 19.000 0.104 0.000 0.822 514 A HN 0.572 nan 8.150 nan 0.000 0.447 515 H N -0.660 118.246 119.070 -0.273 0.000 2.389 515 H HA -0.007 4.549 4.556 -0.000 0.000 0.299 515 H C 2.022 177.192 175.328 -0.262 0.000 1.081 515 H CA 1.533 57.295 56.048 -0.477 0.000 1.345 515 H CB -0.128 28.741 29.762 -1.489 0.000 1.393 515 H HN 0.462 nan 8.280 nan 0.000 0.520 516 I N 0.882 121.168 120.570 -0.474 0.000 2.179 516 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 516 I C 2.975 178.924 176.117 -0.279 0.000 1.088 516 I CA 1.249 62.299 61.300 -0.417 0.000 1.357 516 I CB -0.337 37.549 38.000 -0.190 0.000 1.051 516 I HN 0.236 nan 8.210 nan 0.000 0.409 517 R N 0.698 121.097 120.500 -0.169 0.000 2.170 517 R HA -0.213 4.126 4.340 -0.000 0.000 0.242 517 R C 2.034 178.256 176.300 -0.131 0.000 1.145 517 R CA 2.082 58.117 56.100 -0.109 0.000 0.984 517 R CB -0.266 30.006 30.300 -0.045 0.000 0.869 517 R HN 0.507 nan 8.270 nan 0.000 0.455 518 T N -2.758 111.700 114.554 -0.160 0.000 3.065 518 T HA 0.133 4.483 4.350 -0.000 0.000 0.252 518 T C 1.810 176.416 174.700 -0.156 0.000 1.099 518 T CA -0.023 61.996 62.100 -0.134 0.000 1.063 518 T CB 0.127 68.983 68.868 -0.021 0.000 0.948 518 T HN 0.154 nan 8.240 nan 0.000 0.506 519 L N 0.082 121.156 121.223 -0.248 0.000 2.127 519 L HA 0.252 4.592 4.340 -0.000 0.000 0.203 519 L C 2.540 179.319 176.870 -0.152 0.000 1.080 519 L CA 0.820 55.535 54.840 -0.209 0.000 0.768 519 L CB -0.305 41.561 42.059 -0.322 0.000 0.924 519 L HN 0.278 nan 8.230 nan 0.000 0.444 520 L N -0.665 120.429 121.223 -0.216 0.000 2.109 520 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 520 L C 2.497 179.052 176.870 -0.525 0.000 1.086 520 L CA 0.792 55.422 54.840 -0.349 0.000 0.760 520 L CB -0.376 41.453 42.059 -0.383 0.000 0.910 520 L HN 0.252 nan 8.230 nan 0.000 0.437 521 L N -0.457 120.591 121.223 -0.291 0.000 1.971 521 L HA -0.287 4.053 4.340 -0.000 0.000 0.215 521 L C 2.638 179.599 176.870 0.153 0.000 1.072 521 L CA 1.823 56.614 54.840 -0.081 0.000 0.758 521 L CB -0.964 41.119 42.059 0.040 0.000 0.889 521 L HN 0.245 nan 8.230 nan 0.000 0.433 522 T N -0.315 114.387 114.554 0.247 0.000 2.572 522 T HA -0.343 4.007 4.350 -0.000 0.000 0.258 522 T C 1.498 176.392 174.700 0.323 0.000 1.154 522 T CA 2.444 64.743 62.100 0.331 0.000 1.157 522 T CB -0.498 68.487 68.868 0.195 0.000 0.856 522 T HN 0.249 nan 8.240 nan 0.000 0.443 523 F N 1.367 121.339 119.950 0.036 0.000 2.015 523 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 523 F C 2.079 178.083 175.800 0.339 0.000 1.141 523 F CA 1.309 59.377 58.000 0.112 0.000 1.192 523 F CB -1.318 37.703 39.000 0.034 0.000 0.957 523 F HN 0.343 nan 8.300 nan 0.000 0.491 524 F N -1.795 118.180 119.950 0.041 0.000 2.225 524 F HA -0.319 4.208 4.527 -0.000 0.000 0.302 524 F C 2.363 178.080 175.800 -0.138 0.000 1.068 524 F CA 0.988 58.889 58.000 -0.166 0.000 1.327 524 F CB -0.765 38.191 39.000 -0.072 0.000 1.043 524 F HN 0.179 nan 8.300 nan 0.000 0.506 525 Y N 0.856 121.148 120.300 -0.012 0.000 2.269 525 Y HA -0.004 4.546 4.550 -0.000 0.000 0.294 525 Y C 2.377 178.159 175.900 -0.197 0.000 1.120 525 Y CA 0.990 58.946 58.100 -0.240 0.000 1.159 525 Y CB -0.161 37.917 38.460 -0.636 0.000 1.024 525 Y HN -0.292 nan 8.280 nan 0.000 0.532 526 R N -0.714 119.844 120.500 0.097 0.000 2.148 526 R HA -0.025 4.315 4.340 -0.000 0.000 0.223 526 R C 1.155 177.344 176.300 -0.184 0.000 1.088 526 R CA 1.080 57.205 56.100 0.042 0.000 0.985 526 R CB -0.645 29.926 30.300 0.451 0.000 0.880 526 R HN 0.402 nan 8.270 nan 0.000 0.451 527 F N -1.647 118.202 119.950 -0.169 0.000 2.747 527 F HA 0.305 4.832 4.527 -0.000 0.000 0.305 527 F C 1.239 176.825 175.800 -0.357 0.000 1.065 527 F CA 0.211 58.106 58.000 -0.175 0.000 1.230 527 F CB 0.263 39.263 39.000 -0.001 0.000 1.027 527 F HN -0.207 nan 8.300 nan 0.000 0.607 528 M N -0.346 119.042 119.600 -0.355 0.000 2.875 528 M HA 0.282 4.762 4.480 -0.000 0.000 0.403 528 M C 1.379 177.202 176.300 -0.795 0.000 1.304 528 M CA -0.036 54.811 55.300 -0.755 0.000 0.854 528 M CB 0.720 33.037 32.600 -0.470 0.000 1.415 528 M HN -0.058 nan 8.290 nan 0.000 0.505 529 R N 2.188 122.302 120.500 -0.644 0.000 2.134 529 R HA -0.159 4.180 4.340 -0.000 0.000 0.248 529 R C -1.005 174.972 176.300 -0.538 0.000 1.143 529 R CA 2.340 58.099 56.100 -0.568 0.000 0.957 529 R CB -0.959 28.941 30.300 -0.666 0.000 0.867 529 R HN 0.185 nan 8.270 nan 0.000 0.441 530 P HA -0.151 nan 4.420 nan 0.000 0.218 530 P C 1.177 178.254 177.300 -0.372 0.000 1.148 530 P CA 0.796 63.625 63.100 -0.452 0.000 0.822 530 P CB -0.116 31.359 31.700 -0.375 0.000 0.784 531 L N -0.350 120.544 121.223 -0.548 0.000 2.043 531 L HA -0.170 4.169 4.340 -0.000 0.000 0.212 531 L C 2.075 178.740 176.870 -0.342 0.000 1.075 531 L CA 1.839 56.470 54.840 -0.349 0.000 0.752 531 L CB -1.268 40.604 42.059 -0.311 0.000 0.891 531 L HN -0.095 nan 8.230 nan 0.000 0.432 532 I N -0.646 119.756 120.570 -0.280 0.000 2.394 532 I HA -0.264 3.905 4.170 -0.000 0.000 0.251 532 I C 2.274 178.300 176.117 -0.151 0.000 1.136 532 I CA 1.215 62.418 61.300 -0.161 0.000 1.425 532 I CB -0.448 37.505 38.000 -0.078 0.000 1.079 532 I HN 0.354 nan 8.210 nan 0.000 0.425 533 E N 1.163 121.255 120.200 -0.179 0.000 2.153 533 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 533 E C 2.285 178.811 176.600 -0.124 0.000 0.988 533 E CA 1.212 57.530 56.400 -0.137 0.000 0.811 533 E CB -0.164 29.451 29.700 -0.142 0.000 0.746 533 E HN 0.538 nan 8.360 nan 0.000 0.466 534 A N 0.285 122.992 122.820 -0.187 0.000 2.067 534 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 534 A C 1.924 179.530 177.584 0.037 0.000 1.156 534 A CA 1.117 53.069 52.037 -0.141 0.000 0.683 534 A CB -0.231 18.486 19.000 -0.471 0.000 0.808 534 A HN 0.362 nan 8.150 nan 0.000 0.455 535 G N -2.595 106.205 108.800 0.001 0.000 2.144 535 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 535 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 535 G C 0.653 175.586 174.900 0.055 0.000 0.988 535 G CA 0.378 45.464 45.100 -0.024 0.000 0.659 535 G HN 0.550 nan 8.290 nan 0.000 0.522 536 Y N 0.085 120.318 120.300 -0.112 0.000 2.293 536 Y HA 0.087 4.636 4.550 -0.000 0.000 0.291 536 Y C 1.813 177.729 175.900 0.027 0.000 1.137 536 Y CA 0.602 58.714 58.100 0.020 0.000 1.202 536 Y CB 0.229 38.634 38.460 -0.091 0.000 0.990 536 Y HN 0.182 nan 8.280 nan 0.000 0.537 537 V N 1.603 121.531 119.914 0.024 0.000 2.415 537 V HA -0.051 4.068 4.120 -0.000 0.000 0.267 537 V C -0.711 175.331 176.094 -0.086 0.000 1.042 537 V CA -0.057 62.253 62.300 0.016 0.000 1.000 537 V CB -1.074 30.788 31.823 0.065 0.000 1.015 537 V HN 0.073 nan 8.190 nan 0.000 0.478 538 Y N 4.019 124.330 120.300 0.019 0.000 2.587 538 Y HA 0.711 5.261 4.550 -0.000 0.000 0.337 538 Y C 0.157 176.062 175.900 0.009 0.000 1.065 538 Y CA -0.929 57.169 58.100 -0.004 0.000 1.126 538 Y CB 2.038 40.459 38.460 -0.064 0.000 1.279 538 Y HN 0.410 nan 8.280 nan 0.000 0.489 539 I N 1.327 122.006 120.570 0.181 0.000 2.545 539 I HA 0.619 4.789 4.170 -0.000 0.000 0.292 539 I C -0.903 175.280 176.117 0.110 0.000 1.040 539 I CA -0.937 60.432 61.300 0.115 0.000 1.068 539 I CB 1.809 39.856 38.000 0.078 0.000 1.251 539 I HN 0.688 nan 8.210 nan 0.000 0.424 540 A N 5.599 128.472 122.820 0.089 0.000 2.312 540 A HA 0.580 4.900 4.320 -0.000 0.000 0.326 540 A C -0.625 177.010 177.584 0.084 0.000 1.172 540 A CA -0.421 51.672 52.037 0.094 0.000 0.821 540 A CB 0.859 19.935 19.000 0.127 0.000 1.166 540 A HN 0.727 nan 8.150 nan 0.000 0.493 541 Q N 2.159 122.004 119.800 0.075 0.000 2.571 541 Q HA 0.283 4.623 4.340 -0.000 0.000 0.243 541 Q C -2.395 173.639 176.000 0.058 0.000 1.055 541 Q CA -1.732 54.109 55.803 0.062 0.000 0.815 541 Q CB 1.039 29.809 28.738 0.054 0.000 1.151 541 Q HN 0.540 nan 8.270 nan 0.000 0.519 542 P HA 0.074 nan 4.420 nan 0.000 0.271 542 P C -2.436 174.890 177.300 0.044 0.000 1.244 542 P CA -1.043 62.090 63.100 0.054 0.000 0.793 542 P CB -0.241 31.494 31.700 0.058 0.000 0.984 543 P HA -0.020 nan 4.420 nan 0.000 0.266 543 P C -0.147 177.174 177.300 0.035 0.000 1.193 543 P CA 0.453 63.572 63.100 0.032 0.000 0.770 543 P CB 0.046 31.763 31.700 0.028 0.000 0.836 544 T N 2.527 117.101 114.554 0.032 0.000 2.749 544 T HA 0.496 4.846 4.350 -0.000 0.000 0.295 544 T C 0.508 175.229 174.700 0.035 0.000 0.936 544 T CA 0.711 62.832 62.100 0.035 0.000 1.060 544 T CB -0.787 68.101 68.868 0.033 0.000 0.904 544 T HN 0.750 nan 8.240 nan 0.000 0.500 581 K N -0.223 120.205 120.400 0.046 0.000 3.342 581 K HA 0.573 4.893 4.320 -0.000 0.000 0.345 581 K C 0.004 176.621 176.600 0.028 0.000 1.095 581 K CA -0.083 56.229 56.287 0.041 0.000 0.829 581 K CB -0.406 32.117 32.500 0.039 0.000 1.471 581 K HN 2.036 nan 8.250 nan 0.000 0.428 582 G N 0.490 109.298 108.800 0.014 0.000 2.403 582 G HA2 0.499 4.459 3.960 -0.000 0.000 0.259 582 G HA3 0.499 4.459 3.960 -0.000 0.000 0.259 582 G C 1.195 176.108 174.900 0.022 0.000 1.244 582 G CA -0.014 45.093 45.100 0.011 0.000 0.849 582 G HN 0.935 nan 8.290 nan 0.000 0.532 583 L N 2.386 123.627 121.223 0.031 0.000 2.054 583 L HA -0.258 4.082 4.340 -0.000 0.000 0.220 583 L C 3.062 179.950 176.870 0.031 0.000 1.081 583 L CA 1.928 56.791 54.840 0.038 0.000 0.780 583 L CB -0.372 41.715 42.059 0.047 0.000 0.893 583 L HN 0.695 nan 8.230 nan 0.000 0.438 584 G N -1.292 107.522 108.800 0.023 0.000 2.432 584 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 584 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 584 G C 1.571 176.479 174.900 0.014 0.000 1.135 584 G CA 1.207 46.318 45.100 0.017 0.000 0.767 584 G HN 0.513 nan 8.290 nan 0.000 0.550 585 E N 1.025 121.232 120.200 0.013 0.000 2.033 585 E HA -0.067 4.282 4.350 -0.000 0.000 0.199 585 E C 1.560 178.171 176.600 0.018 0.000 1.011 585 E CA 1.322 57.730 56.400 0.013 0.000 0.815 585 E CB -0.625 29.085 29.700 0.016 0.000 0.755 585 E HN 0.605 nan 8.360 nan 0.000 0.451 586 M N 1.546 121.160 119.600 0.024 0.000 2.252 586 M HA 0.134 4.614 4.480 -0.000 0.000 0.321 586 M C 0.339 176.655 176.300 0.026 0.000 1.070 586 M CA -0.359 54.957 55.300 0.028 0.000 1.143 586 M CB 0.242 32.864 32.600 0.036 0.000 1.498 586 M HN 0.204 nan 8.290 nan 0.000 0.445 587 N N 0.968 119.684 118.700 0.027 0.000 2.297 587 N HA 0.070 4.810 4.740 -0.000 0.000 0.232 587 N C 0.776 176.306 175.510 0.034 0.000 1.311 587 N CA 0.328 53.392 53.050 0.024 0.000 0.897 587 N CB 0.425 38.926 38.487 0.022 0.000 1.137 587 N HN 0.813 nan 8.380 nan 0.000 0.449 588 A N 0.562 123.396 122.820 0.023 0.000 2.019 588 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 588 A C 1.430 179.052 177.584 0.063 0.000 1.164 588 A CA 1.810 53.864 52.037 0.029 0.000 0.644 588 A CB -0.357 18.641 19.000 -0.003 0.000 0.805 588 A HN 0.794 nan 8.150 nan 0.000 0.449 589 D N -1.477 118.953 120.400 0.051 0.000 2.289 589 D HA -0.075 4.565 4.640 -0.000 0.000 0.207 589 D C 1.713 178.107 176.300 0.157 0.000 0.966 589 D CA 1.079 55.129 54.000 0.084 0.000 0.868 589 D CB -0.435 40.385 40.800 0.032 0.000 0.943 589 D HN 0.318 nan 8.370 nan 0.000 0.514 590 Q N -0.803 119.059 119.800 0.103 0.000 2.389 590 Q HA 0.211 4.551 4.340 -0.000 0.000 0.204 590 Q C 1.390 177.446 176.000 0.093 0.000 0.944 590 Q CA 0.265 56.120 55.803 0.086 0.000 0.908 590 Q CB 0.005 28.775 28.738 0.054 0.000 1.002 590 Q HN 0.207 nan 8.270 nan 0.000 0.493 591 L N -0.611 120.679 121.223 0.112 0.000 2.416 591 L HA 0.046 4.386 4.340 -0.000 0.000 0.216 591 L C 1.425 178.378 176.870 0.137 0.000 1.098 591 L CA 0.965 55.865 54.840 0.101 0.000 0.840 591 L CB -0.519 41.587 42.059 0.079 0.000 0.981 591 L HN 0.468 nan 8.230 nan 0.000 0.462 592 W N 0.012 121.301 121.300 -0.017 0.000 2.525 592 W HA -0.028 4.632 4.660 -0.000 0.000 0.288 592 W C 1.684 178.215 176.519 0.019 0.000 1.200 592 W CA 0.488 57.822 57.345 -0.019 0.000 1.349 592 W CB 0.166 29.609 29.460 -0.028 0.000 1.102 592 W HN 0.063 nan 8.180 nan 0.000 0.558 593 E N 0.353 120.638 120.200 0.141 0.000 2.152 593 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 593 E C 2.161 178.733 176.600 -0.047 0.000 0.983 593 E CA 2.353 58.768 56.400 0.025 0.000 0.818 593 E CB -0.309 29.482 29.700 0.150 0.000 0.758 593 E HN 0.429 nan 8.360 nan 0.000 0.467 594 T N -3.373 111.172 114.554 -0.014 0.000 3.039 594 T HA 0.094 4.443 4.350 -0.000 0.000 0.250 594 T C 1.877 176.569 174.700 -0.013 0.000 1.052 594 T CA 0.836 62.930 62.100 -0.009 0.000 1.125 594 T CB 0.189 69.065 68.868 0.013 0.000 0.908 594 T HN -0.110 nan 8.240 nan 0.000 0.473 595 T N 0.623 115.166 114.554 -0.018 0.000 3.019 595 T HA 0.431 4.781 4.350 -0.000 0.000 0.247 595 T C 1.671 176.373 174.700 0.003 0.000 0.992 595 T CA 0.086 62.197 62.100 0.018 0.000 1.036 595 T CB 0.058 68.966 68.868 0.065 0.000 1.063 595 T HN 0.202 nan 8.240 nan 0.000 0.476 596 M N 0.761 120.299 119.600 -0.103 0.000 2.571 596 M HA 0.256 4.736 4.480 -0.000 0.000 0.259 596 M C 0.704 176.727 176.300 -0.461 0.000 1.205 596 M CA 0.091 55.297 55.300 -0.157 0.000 1.138 596 M CB 0.191 32.691 32.600 -0.168 0.000 1.329 596 M HN 0.066 nan 8.290 nan 0.000 0.503 597 N N 2.376 120.540 118.700 -0.893 0.000 2.434 597 N HA 0.007 4.747 4.740 -0.000 0.000 0.268 597 N C -2.034 173.182 175.510 -0.490 0.000 1.256 597 N CA -1.153 51.215 53.050 -1.137 0.000 0.914 597 N CB 1.069 38.838 38.487 -1.196 0.000 1.088 597 N HN -0.123 nan 8.380 nan 0.000 0.478 598 P HA -0.158 nan 4.420 nan 0.000 0.223 598 P C 0.268 177.446 177.300 -0.203 0.000 1.144 598 P CA 1.150 64.134 63.100 -0.194 0.000 0.783 598 P CB 0.244 31.868 31.700 -0.127 0.000 0.771 599 E N -1.181 118.849 120.200 -0.284 0.000 2.028 599 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 599 E C 0.908 177.218 176.600 -0.483 0.000 0.988 599 E CA 1.178 57.326 56.400 -0.421 0.000 0.799 599 E CB -0.431 28.912 29.700 -0.594 0.000 0.755 599 E HN 0.537 nan 8.360 nan 0.000 0.447 600 H N -0.782 118.222 119.070 -0.109 0.000 2.674 600 H HA 0.157 4.713 4.556 -0.000 0.000 0.274 600 H C -0.044 175.234 175.328 -0.082 0.000 1.121 600 H CA -0.407 55.594 56.048 -0.079 0.000 1.132 600 H CB 0.312 30.033 29.762 -0.069 0.000 1.606 600 H HN -0.026 nan 8.280 nan 0.000 0.558 601 R N 1.365 121.843 120.500 -0.037 0.000 2.390 601 R HA 0.635 4.975 4.340 -0.000 0.000 0.291 601 R C -0.781 175.517 176.300 -0.004 0.000 1.070 601 R CA -0.546 55.534 56.100 -0.033 0.000 1.014 601 R CB 0.904 31.159 30.300 -0.075 0.000 1.007 601 R HN 0.071 nan 8.270 nan 0.000 0.466 602 A N 5.678 128.511 122.820 0.021 0.000 2.303 602 A HA 0.546 4.866 4.320 -0.000 0.000 0.320 602 A C -0.632 176.984 177.584 0.053 0.000 1.192 602 A CA -0.930 51.128 52.037 0.035 0.000 0.821 602 A CB 0.942 19.966 19.000 0.039 0.000 1.188 602 A HN 0.712 nan 8.150 nan 0.000 0.492 603 L N 2.214 123.482 121.223 0.074 0.000 2.323 603 L HA 0.543 4.883 4.340 -0.000 0.000 0.265 603 L C -0.824 176.130 176.870 0.141 0.000 1.012 603 L CA -0.746 54.169 54.840 0.124 0.000 0.820 603 L CB 2.046 44.204 42.059 0.165 0.000 1.334 603 L HN 0.588 nan 8.230 nan 0.000 0.427 604 L N 2.234 123.540 121.223 0.138 0.000 2.276 604 L HA 0.379 4.719 4.340 -0.000 0.000 0.286 604 L C -0.101 176.786 176.870 0.028 0.000 1.024 604 L CA -0.252 54.634 54.840 0.077 0.000 0.826 604 L CB 1.572 43.661 42.059 0.051 0.000 1.211 604 L HN 0.586 nan 8.230 nan 0.000 0.422 605 Q N 2.447 122.212 119.800 -0.059 0.000 2.288 605 Q HA 0.280 4.620 4.340 -0.000 0.000 0.258 605 Q C -0.848 175.037 176.000 -0.191 0.000 0.957 605 Q CA -0.544 55.069 55.803 -0.317 0.000 0.919 605 Q CB 1.734 30.271 28.738 -0.335 0.000 1.185 605 Q HN 0.400 nan 8.270 nan 0.000 0.408 606 V N 5.875 125.664 119.914 -0.208 0.000 2.455 606 V HA 0.150 4.270 4.120 -0.000 0.000 0.273 606 V C 0.063 176.108 176.094 -0.082 0.000 1.045 606 V CA -0.025 62.221 62.300 -0.091 0.000 0.976 606 V CB 0.793 32.596 31.823 -0.034 0.000 0.993 606 V HN 0.594 nan 8.190 nan 0.000 0.475 607 K N 4.558 124.932 120.400 -0.044 0.000 2.235 607 K HA 0.406 4.726 4.320 -0.000 0.000 0.266 607 K C -0.523 176.075 176.600 -0.004 0.000 0.980 607 K CA -0.887 55.381 56.287 -0.031 0.000 0.849 607 K CB 2.326 34.810 32.500 -0.027 0.000 1.098 607 K HN 0.491 nan 8.250 nan 0.000 0.445 608 L N 5.207 126.429 121.223 -0.002 0.000 2.423 608 L HA 0.063 4.403 4.340 -0.000 0.000 0.249 608 L C 1.231 178.108 176.870 0.011 0.000 1.276 608 L CA 0.405 55.257 54.840 0.021 0.000 1.199 608 L CB -0.315 41.755 42.059 0.018 0.000 1.407 608 L HN 0.473 nan 8.230 nan 0.000 0.410 609 E N 0.832 121.039 120.200 0.012 0.000 2.026 609 E HA -0.213 4.137 4.350 -0.000 0.000 0.206 609 E C 0.026 176.632 176.600 0.009 0.000 1.028 609 E CA 1.451 57.855 56.400 0.008 0.000 0.845 609 E CB 0.002 29.707 29.700 0.008 0.000 0.772 609 E HN 0.641 nan 8.360 nan 0.000 0.462 610 D N -1.298 119.112 120.400 0.017 0.000 2.381 610 D HA 0.364 5.004 4.640 -0.000 0.000 0.235 610 D C 0.383 176.699 176.300 0.026 0.000 1.068 610 D CA 0.269 54.279 54.000 0.016 0.000 0.832 610 D CB 1.433 42.241 40.800 0.014 0.000 1.101 610 D HN 0.069 nan 8.370 nan 0.000 0.515 611 A N 4.660 127.490 122.820 0.017 0.000 1.927 611 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 611 A C 1.928 179.531 177.584 0.032 0.000 1.185 611 A CA 1.194 53.243 52.037 0.020 0.000 0.639 611 A CB -0.465 18.531 19.000 -0.007 0.000 0.820 611 A HN 0.702 nan 8.150 nan 0.000 0.451 612 I N -0.761 119.821 120.570 0.020 0.000 2.333 612 I HA -0.083 4.087 4.170 -0.000 0.000 0.246 612 I C 2.260 178.390 176.117 0.022 0.000 1.106 612 I CA 1.069 62.380 61.300 0.017 0.000 1.411 612 I CB -1.310 36.695 38.000 0.008 0.000 1.082 612 I HN 0.345 nan 8.210 nan 0.000 0.420 613 E N 1.014 121.226 120.200 0.020 0.000 2.170 613 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 613 E C 2.306 178.916 176.600 0.017 0.000 0.981 613 E CA 0.936 57.344 56.400 0.013 0.000 0.830 613 E CB 0.083 29.788 29.700 0.007 0.000 0.775 613 E HN 0.356 nan 8.360 nan 0.000 0.470 614 A N 2.070 124.911 122.820 0.034 0.000 1.883 614 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 614 A C 1.745 179.347 177.584 0.030 0.000 1.186 614 A CA 2.220 54.279 52.037 0.038 0.000 0.624 614 A CB -0.675 18.339 19.000 0.024 0.000 0.822 614 A HN 0.135 nan 8.150 nan 0.000 0.444 615 D N -0.313 120.128 120.400 0.069 0.000 2.092 615 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 615 D C 2.219 178.555 176.300 0.061 0.000 0.994 615 D CA 1.701 55.759 54.000 0.097 0.000 0.828 615 D CB -0.368 40.497 40.800 0.107 0.000 0.963 615 D HN 0.614 nan 8.370 nan 0.000 0.450 616 Q N -0.036 119.783 119.800 0.031 0.000 2.030 616 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 616 Q C 2.340 178.320 176.000 -0.033 0.000 0.986 616 Q CA 1.588 57.392 55.803 0.002 0.000 0.843 616 Q CB -0.459 28.276 28.738 -0.005 0.000 0.904 616 Q HN 0.263 nan 8.270 nan 0.000 0.420 617 T N 0.841 115.362 114.554 -0.055 0.000 2.665 617 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 617 T C 1.490 176.054 174.700 -0.227 0.000 1.035 617 T CA 1.390 63.389 62.100 -0.167 0.000 1.151 617 T CB -0.351 68.404 68.868 -0.188 0.000 0.862 617 T HN 0.146 nan 8.240 nan 0.000 0.438 618 F N 1.210 120.985 119.950 -0.292 0.000 2.069 618 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 618 F C 2.502 178.164 175.800 -0.229 0.000 1.113 618 F CA 1.613 59.431 58.000 -0.303 0.000 1.214 618 F CB -0.542 38.249 39.000 -0.348 0.000 0.978 618 F HN 0.237 nan 8.300 nan 0.000 0.474 619 E N 0.271 120.494 120.200 0.039 0.000 2.048 619 E HA -0.358 3.992 4.350 -0.000 0.000 0.202 619 E C 2.314 178.861 176.600 -0.089 0.000 1.021 619 E CA 2.183 58.579 56.400 -0.007 0.000 0.825 619 E CB -0.346 29.357 29.700 0.005 0.000 0.756 619 E HN 0.430 nan 8.360 nan 0.000 0.454 620 M N 0.411 119.927 119.600 -0.140 0.000 2.082 620 M HA -0.251 4.229 4.480 -0.000 0.000 0.258 620 M C 2.154 178.280 176.300 -0.290 0.000 1.071 620 M CA 1.840 57.030 55.300 -0.183 0.000 1.103 620 M CB -0.225 32.247 32.600 -0.212 0.000 1.307 620 M HN 0.216 nan 8.290 nan 0.000 0.409 621 L N -0.135 120.777 121.223 -0.519 0.000 2.046 621 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 621 L C 2.183 178.642 176.870 -0.686 0.000 1.077 621 L CA 0.956 55.270 54.840 -0.878 0.000 0.747 621 L CB -0.578 40.704 42.059 -1.295 0.000 0.896 621 L HN 0.488 nan 8.230 nan 0.000 0.432 622 M N -0.418 118.938 119.600 -0.407 0.000 2.371 622 M HA 0.254 4.734 4.480 -0.000 0.000 0.246 622 M C 1.052 177.320 176.300 -0.054 0.000 1.103 622 M CA -0.025 55.168 55.300 -0.177 0.000 1.010 622 M CB -0.982 31.560 32.600 -0.096 0.000 1.457 622 M HN 0.024 nan 8.290 nan 0.000 0.486 623 G N 0.678 109.436 108.800 -0.069 0.000 2.716 623 G HA2 0.027 3.987 3.960 -0.000 0.000 0.251 623 G HA3 0.027 3.987 3.960 -0.000 0.000 0.251 623 G C 0.524 175.432 174.900 0.013 0.000 1.224 623 G CA -0.185 44.906 45.100 -0.015 0.000 0.891 623 G HN 0.238 nan 8.290 nan 0.000 0.561 624 D N -1.154 119.259 120.400 0.022 0.000 2.162 624 D HA -0.104 4.536 4.640 -0.000 0.000 0.203 624 D C 1.331 177.648 176.300 0.028 0.000 0.967 624 D CA 0.300 54.317 54.000 0.029 0.000 0.840 624 D CB -0.008 40.809 40.800 0.028 0.000 0.972 624 D HN 0.025 nan 8.370 nan 0.000 0.482 625 V N 1.917 121.844 119.914 0.023 0.000 2.415 625 V HA -0.018 4.102 4.120 -0.000 0.000 0.267 625 V C 1.700 177.816 176.094 0.036 0.000 1.042 625 V CA -0.243 62.072 62.300 0.026 0.000 1.000 625 V CB 1.406 33.242 31.823 0.022 0.000 1.015 625 V HN -0.050 nan 8.190 nan 0.000 0.478 626 V N 4.093 124.032 119.914 0.041 0.000 2.295 626 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 626 V C 2.381 178.511 176.094 0.059 0.000 1.049 626 V CA 2.004 64.336 62.300 0.054 0.000 1.024 626 V CB -0.499 31.351 31.823 0.046 0.000 0.648 626 V HN 0.967 nan 8.190 nan 0.000 0.447 627 E N 1.298 121.527 120.200 0.047 0.000 2.114 627 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 627 E C 1.875 178.513 176.600 0.064 0.000 1.008 627 E CA 2.275 58.705 56.400 0.049 0.000 0.810 627 E CB -0.590 29.133 29.700 0.037 0.000 0.739 627 E HN 0.742 nan 8.360 nan 0.000 0.456 628 N N -0.861 117.876 118.700 0.061 0.000 2.396 628 N HA -0.091 4.649 4.740 -0.000 0.000 0.180 628 N C 1.820 177.404 175.510 0.123 0.000 1.028 628 N CA 0.534 53.628 53.050 0.074 0.000 0.893 628 N CB -0.024 38.487 38.487 0.040 0.000 0.967 628 N HN 0.034 nan 8.380 nan 0.000 0.440 629 R N 1.172 121.748 120.500 0.127 0.000 2.100 629 R HA 0.127 4.467 4.340 -0.000 0.000 0.220 629 R C 2.257 178.706 176.300 0.250 0.000 1.091 629 R CA 0.496 56.724 56.100 0.214 0.000 0.986 629 R CB 0.140 30.549 30.300 0.182 0.000 0.888 629 R HN 0.033 nan 8.270 nan 0.000 0.444 630 R N 0.159 120.749 120.500 0.151 0.000 2.081 630 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 630 R C 2.135 178.489 176.300 0.090 0.000 1.131 630 R CA 2.032 58.194 56.100 0.104 0.000 0.960 630 R CB -0.071 30.269 30.300 0.067 0.000 0.856 630 R HN 0.244 nan 8.270 nan 0.000 0.436 631 Q N -0.301 119.559 119.800 0.101 0.000 1.993 631 Q HA -0.199 4.140 4.340 -0.000 0.000 0.202 631 Q C 1.869 177.922 176.000 0.089 0.000 0.984 631 Q CA 2.210 58.062 55.803 0.081 0.000 0.837 631 Q CB -0.419 28.370 28.738 0.086 0.000 0.902 631 Q HN 0.338 nan 8.270 nan 0.000 0.423 632 F N 0.715 120.685 119.950 0.033 0.000 2.063 632 F HA -0.297 4.230 4.527 -0.000 0.000 0.298 632 F C 1.659 177.487 175.800 0.048 0.000 1.109 632 F CA 1.825 59.847 58.000 0.037 0.000 1.212 632 F CB -0.562 38.462 39.000 0.041 0.000 0.973 632 F HN 0.160 nan 8.300 nan 0.000 0.480 633 I N 0.646 121.031 120.570 -0.308 0.000 2.064 633 I HA -0.430 3.740 4.170 -0.000 0.000 0.234 633 I C 2.624 178.548 176.117 -0.322 0.000 1.019 633 I CA 2.313 63.397 61.300 -0.360 0.000 1.301 633 I CB -0.947 37.043 38.000 -0.018 0.000 1.017 633 I HN 0.343 nan 8.210 nan 0.000 0.392 634 E N 0.844 120.954 120.200 -0.152 0.000 2.147 634 E HA -0.306 4.044 4.350 -0.000 0.000 0.199 634 E C 1.651 178.173 176.600 -0.129 0.000 1.005 634 E CA 1.983 58.317 56.400 -0.110 0.000 0.810 634 E CB -0.025 29.644 29.700 -0.052 0.000 0.736 634 E HN 0.449 nan 8.360 nan 0.000 0.460 635 D N -0.056 120.251 120.400 -0.154 0.000 2.178 635 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 635 D C 1.128 177.326 176.300 -0.170 0.000 0.980 635 D CA 0.965 54.888 54.000 -0.128 0.000 0.842 635 D CB -0.206 40.544 40.800 -0.083 0.000 0.948 635 D HN 0.250 nan 8.370 nan 0.000 0.472 636 N N -0.083 118.438 118.700 -0.298 0.000 2.220 636 N HA 0.276 5.016 4.740 -0.000 0.000 0.195 636 N C 0.466 175.864 175.510 -0.188 0.000 1.123 636 N CA 0.504 53.401 53.050 -0.256 0.000 0.874 636 N CB 0.326 38.589 38.487 -0.373 0.000 0.995 636 N HN 0.074 nan 8.380 nan 0.000 0.498 1011 E N 0.407 120.616 120.200 0.014 0.000 2.343 1011 E HA 0.630 4.980 4.350 -0.000 0.000 0.270 1011 E C -0.934 175.667 176.600 0.001 0.000 0.895 1011 E CA -0.797 55.601 56.400 -0.003 0.000 0.767 1011 E CB 2.672 32.368 29.700 -0.006 0.000 1.248 1011 E HN 0.255 nan 8.360 nan 0.000 0.440 1012 R N 1.930 122.425 120.500 -0.008 0.000 2.502 1012 R HA 0.233 4.572 4.340 -0.000 0.000 0.300 1012 R C -1.296 175.003 176.300 -0.001 0.000 0.984 1012 R CA -0.856 55.245 56.100 0.002 0.000 0.882 1012 R CB 0.685 30.989 30.300 0.007 0.000 1.180 1012 R HN 0.454 nan 8.270 nan 0.000 0.444 1013 N N 4.744 123.447 118.700 0.004 0.000 2.427 1013 N HA -0.033 4.707 4.740 -0.000 0.000 0.269 1013 N C 0.961 176.474 175.510 0.005 0.000 1.235 1013 N CA 0.115 53.169 53.050 0.005 0.000 0.934 1013 N CB 0.352 38.843 38.487 0.007 0.000 1.121 1013 N HN 0.868 nan 8.380 nan 0.000 0.480 1014 I N 2.820 123.399 120.570 0.014 0.000 2.361 1014 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 1014 I C 1.000 177.108 176.117 -0.016 0.000 1.133 1014 I CA 1.278 62.591 61.300 0.022 0.000 1.413 1014 I CB 0.145 38.191 38.000 0.077 0.000 1.073 1014 I HN 0.540 nan 8.210 nan 0.000 0.424 1015 T N -0.886 113.659 114.554 -0.016 0.000 3.035 1015 T HA 0.020 4.370 4.350 -0.000 0.000 0.259 1015 T C 1.834 176.493 174.700 -0.069 0.000 1.078 1015 T CA 1.047 63.105 62.100 -0.069 0.000 1.132 1015 T CB 0.035 68.883 68.868 -0.034 0.000 0.900 1015 T HN 0.251 nan 8.240 nan 0.000 0.480 1016 S N 1.304 116.990 115.700 -0.023 0.000 2.515 1016 S HA -0.016 4.454 4.470 -0.000 0.000 0.231 1016 S C 1.950 176.552 174.600 0.004 0.000 0.987 1016 S CA 0.719 58.920 58.200 0.002 0.000 0.936 1016 S CB -0.043 63.165 63.200 0.015 0.000 0.766 1016 S HN 0.538 nan 8.310 nan 0.000 0.528 1017 E N 1.166 121.354 120.200 -0.020 0.000 2.127 1017 E HA 0.158 4.508 4.350 -0.000 0.000 0.191 1017 E C 1.880 178.457 176.600 -0.039 0.000 0.964 1017 E CA 0.605 56.998 56.400 -0.012 0.000 0.832 1017 E CB -0.219 29.475 29.700 -0.010 0.000 0.790 1017 E HN 0.152 nan 8.360 nan 0.000 0.465 1018 M N 0.505 120.024 119.600 -0.134 0.000 2.213 1018 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 1018 M C 2.070 178.293 176.300 -0.128 0.000 1.062 1018 M CA 1.343 56.496 55.300 -0.244 0.000 1.105 1018 M CB -0.607 31.634 32.600 -0.597 0.000 1.385 1018 M HN 0.121 nan 8.290 nan 0.000 0.417 1019 R N 0.068 120.522 120.500 -0.078 0.000 2.070 1019 R HA -0.123 4.216 4.340 -0.000 0.000 0.227 1019 R C 2.136 178.584 176.300 0.246 0.000 1.147 1019 R CA 1.543 57.689 56.100 0.076 0.000 0.924 1019 R CB -0.390 29.974 30.300 0.107 0.000 0.827 1019 R HN 0.439 nan 8.270 nan 0.000 0.431 1020 E N 0.253 120.549 120.200 0.160 0.000 2.049 1020 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 1020 E C 2.135 178.825 176.600 0.150 0.000 1.007 1020 E CA 1.798 58.286 56.400 0.146 0.000 0.809 1020 E CB -0.073 29.680 29.700 0.088 0.000 0.749 1020 E HN 0.206 nan 8.360 nan 0.000 0.450 1021 S N 0.381 116.158 115.700 0.129 0.000 2.387 1021 S HA -0.104 4.366 4.470 -0.000 0.000 0.226 1021 S C 1.590 176.300 174.600 0.183 0.000 1.026 1021 S CA 0.591 58.865 58.200 0.124 0.000 0.972 1021 S CB -0.284 62.964 63.200 0.079 0.000 0.814 1021 S HN 0.231 nan 8.310 nan 0.000 0.477 1022 F N 2.565 122.555 119.950 0.067 0.000 2.026 1022 F HA -0.133 4.393 4.527 -0.000 0.000 0.296 1022 F C 2.037 177.979 175.800 0.236 0.000 1.133 1022 F CA 1.285 59.359 58.000 0.123 0.000 1.188 1022 F CB -0.784 38.233 39.000 0.028 0.000 0.968 1022 F HN 0.126 nan 8.300 nan 0.000 0.476 1023 L N 1.120 122.565 121.223 0.369 0.000 1.963 1023 L HA -0.327 4.013 4.340 -0.000 0.000 0.220 1023 L C 2.013 178.914 176.870 0.052 0.000 1.076 1023 L CA 2.586 57.565 54.840 0.231 0.000 0.772 1023 L CB -1.272 40.953 42.059 0.276 0.000 0.892 1023 L HN 0.192 nan 8.230 nan 0.000 0.435 1024 D N -1.720 118.728 120.400 0.079 0.000 2.218 1024 D HA -0.306 4.333 4.640 -0.000 0.000 0.194 1024 D C 1.886 178.203 176.300 0.028 0.000 1.007 1024 D CA 2.120 56.148 54.000 0.047 0.000 0.879 1024 D CB -0.424 40.419 40.800 0.073 0.000 0.918 1024 D HN 0.635 nan 8.370 nan 0.000 0.449 1025 Y N 0.988 121.225 120.300 -0.104 0.000 2.153 1025 Y HA 0.007 4.557 4.550 -0.000 0.000 0.289 1025 Y C 2.325 178.083 175.900 -0.237 0.000 1.119 1025 Y CA 1.670 59.676 58.100 -0.157 0.000 1.116 1025 Y CB -0.651 37.694 38.460 -0.191 0.000 1.004 1025 Y HN -0.056 nan 8.280 nan 0.000 0.501 1026 A N 1.002 123.616 122.820 -0.343 0.000 2.042 1026 A HA -0.248 4.072 4.320 -0.000 0.000 0.222 1026 A C 2.166 179.548 177.584 -0.337 0.000 1.167 1026 A CA 2.205 53.978 52.037 -0.441 0.000 0.649 1026 A CB -0.738 18.056 19.000 -0.343 0.000 0.809 1026 A HN 0.602 nan 8.150 nan 0.000 0.457 1027 M N -1.177 118.280 119.600 -0.238 0.000 2.098 1027 M HA -0.074 4.406 4.480 -0.000 0.000 0.262 1027 M C 2.551 178.736 176.300 -0.191 0.000 1.072 1027 M CA 1.749 56.945 55.300 -0.172 0.000 1.133 1027 M CB -1.414 31.119 32.600 -0.112 0.000 1.344 1027 M HN 0.556 nan 8.290 nan 0.000 0.414 1028 S N 0.868 116.441 115.700 -0.211 0.000 2.365 1028 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 1028 S C 1.871 176.329 174.600 -0.236 0.000 1.039 1028 S CA 1.687 59.775 58.200 -0.187 0.000 1.033 1028 S CB -0.403 62.703 63.200 -0.156 0.000 0.887 1028 S HN 0.283 nan 8.310 nan 0.000 0.447 1029 V N 1.295 120.975 119.914 -0.391 0.000 2.944 1029 V HA -0.139 3.981 4.120 -0.000 0.000 0.265 1029 V C 1.970 177.929 176.094 -0.225 0.000 1.125 1029 V CA 1.645 63.725 62.300 -0.367 0.000 1.145 1029 V CB -0.864 30.629 31.823 -0.550 0.000 0.725 1029 V HN 0.488 nan 8.190 nan 0.000 0.510 1030 I N -0.271 120.186 120.570 -0.189 0.000 3.025 1030 I HA -0.053 4.117 4.170 -0.000 0.000 0.236 1030 I C 2.370 178.426 176.117 -0.102 0.000 1.063 1030 I CA 1.162 62.385 61.300 -0.128 0.000 1.476 1030 I CB -0.192 37.740 38.000 -0.114 0.000 1.331 1030 I HN 0.215 nan 8.210 nan 0.000 0.457 1031 V N 0.128 119.984 119.914 -0.097 0.000 2.231 1031 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 1031 V C 1.510 177.561 176.094 -0.073 0.000 1.054 1031 V CA 1.693 63.946 62.300 -0.079 0.000 1.015 1031 V CB -1.400 30.380 31.823 -0.072 0.000 0.638 1031 V HN 0.363 nan 8.190 nan 0.000 0.444 1032 A N -0.288 122.487 122.820 -0.075 0.000 3.213 1032 A HA 0.746 5.066 4.320 -0.000 0.000 0.308 1032 A C 1.100 178.644 177.584 -0.068 0.000 1.177 1032 A CA 0.159 52.165 52.037 -0.052 0.000 1.010 1032 A CB -0.055 18.933 19.000 -0.019 0.000 1.092 1032 A HN 0.697 nan 8.150 nan 0.000 0.583 1033 R N -0.692 119.754 120.500 -0.090 0.000 5.264 1033 R HA 0.502 4.842 4.340 -0.000 0.000 0.100 1033 R C 0.156 176.402 176.300 -0.091 0.000 1.065 1033 R CA 0.747 56.782 56.100 -0.108 0.000 0.773 1033 R CB -0.034 30.172 30.300 -0.156 0.000 1.112 1033 R HN 0.430 nan 8.270 nan 0.000 0.383 1034 A N 1.627 124.398 122.820 -0.080 0.000 2.985 1034 A HA 0.507 4.827 4.320 -0.000 0.000 0.303 1034 A C -1.042 176.526 177.584 -0.026 0.000 1.048 1034 A CA -0.361 51.650 52.037 -0.044 0.000 1.016 1034 A CB 0.145 19.121 19.000 -0.040 0.000 1.118 1034 A HN 0.190 nan 8.150 nan 0.000 0.529 1035 L N 1.081 122.286 121.223 -0.030 0.000 2.491 1035 L HA 0.371 4.711 4.340 -0.000 0.000 0.267 1035 L C -2.883 173.975 176.870 -0.019 0.000 0.971 1035 L CA -1.966 52.859 54.840 -0.024 0.000 0.857 1035 L CB 3.131 45.164 42.059 -0.043 0.000 1.226 1035 L HN 0.121 nan 8.230 nan 0.000 0.408 1036 P HA 0.051 nan 4.420 nan 0.000 0.271 1036 P C -0.765 176.513 177.300 -0.037 0.000 1.218 1036 P CA -0.197 62.900 63.100 -0.005 0.000 0.780 1036 P CB 0.772 32.474 31.700 0.002 0.000 0.901 1037 D N 1.096 121.463 120.400 -0.055 0.000 2.341 1037 D HA -0.035 4.605 4.640 -0.000 0.000 0.245 1037 D C 1.189 177.438 176.300 -0.085 0.000 1.106 1037 D CA -0.133 53.819 54.000 -0.081 0.000 0.905 1037 D CB 1.492 42.232 40.800 -0.101 0.000 1.202 1037 D HN 0.077 nan 8.370 nan 0.000 0.426 1038 V N 4.622 124.482 119.914 -0.091 0.000 2.759 1038 V HA -0.172 3.948 4.120 -0.000 0.000 0.256 1038 V C 1.843 177.900 176.094 -0.062 0.000 1.080 1038 V CA 1.620 63.880 62.300 -0.066 0.000 1.101 1038 V CB -0.227 31.553 31.823 -0.071 0.000 0.698 1038 V HN 0.488 nan 8.190 nan 0.000 0.477 1039 R N 0.651 121.070 120.500 -0.136 0.000 2.175 1039 R HA 0.120 4.460 4.340 -0.000 0.000 0.202 1039 R C 1.535 177.649 176.300 -0.311 0.000 1.018 1039 R CA 1.092 57.038 56.100 -0.257 0.000 1.029 1039 R CB -0.144 29.879 30.300 -0.463 0.000 0.959 1039 R HN 0.715 nan 8.270 nan 0.000 0.480 1040 D N -1.521 118.729 120.400 -0.250 0.000 2.469 1040 D HA 0.135 4.775 4.640 -0.000 0.000 0.213 1040 D C 1.184 177.377 176.300 -0.179 0.000 1.135 1040 D CA 0.536 54.404 54.000 -0.220 0.000 0.834 1040 D CB 0.506 41.191 40.800 -0.193 0.000 1.009 1040 D HN 0.177 nan 8.370 nan 0.000 0.507 1041 G N 0.555 109.269 108.800 -0.142 0.000 2.220 1041 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.269 1041 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.269 1041 G C 0.055 174.923 174.900 -0.053 0.000 0.977 1041 G CA 0.696 45.732 45.100 -0.107 0.000 0.634 1041 G HN 0.422 nan 8.290 nan 0.000 0.539 1042 L N 0.629 121.826 121.223 -0.044 0.000 2.334 1042 L HA 0.474 4.814 4.340 -0.000 0.000 0.277 1042 L C 0.910 177.817 176.870 0.062 0.000 1.075 1042 L CA -0.835 54.026 54.840 0.035 0.000 0.804 1042 L CB 1.166 43.230 42.059 0.009 0.000 1.174 1042 L HN 0.011 nan 8.230 nan 0.000 0.438 1043 K N 2.949 123.469 120.400 0.201 0.000 2.126 1043 K HA 0.227 4.547 4.320 -0.000 0.000 0.257 1043 K C -1.675 174.892 176.600 -0.055 0.000 1.007 1043 K CA -1.598 54.727 56.287 0.064 0.000 0.928 1043 K CB 0.796 33.331 32.500 0.059 0.000 1.013 1043 K HN 0.213 nan 8.250 nan 0.000 0.473 1044 P HA -0.256 nan 4.420 nan 0.000 0.215 1044 P C 1.504 178.629 177.300 -0.291 0.000 1.163 1044 P CA 0.918 63.924 63.100 -0.157 0.000 0.894 1044 P CB 0.119 31.753 31.700 -0.109 0.000 0.791 1045 V N -0.900 118.759 119.914 -0.426 0.000 2.282 1045 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 1045 V C 2.151 177.986 176.094 -0.432 0.000 1.057 1045 V CA 2.354 64.290 62.300 -0.606 0.000 1.032 1045 V CB -1.027 30.489 31.823 -0.511 0.000 0.645 1045 V HN 0.217 nan 8.190 nan 0.000 0.447 1046 H N -0.407 118.603 119.070 -0.099 0.000 2.317 1046 H HA -0.041 4.515 4.556 -0.000 0.000 0.304 1046 H C 2.328 177.615 175.328 -0.068 0.000 1.067 1046 H CA 1.493 57.506 56.048 -0.058 0.000 1.352 1046 H CB -0.377 29.372 29.762 -0.022 0.000 1.398 1046 H HN 0.363 nan 8.280 nan 0.000 0.510 1047 R N 1.602 122.129 120.500 0.045 0.000 2.196 1047 R HA -0.300 4.040 4.340 -0.000 0.000 0.244 1047 R C 2.217 178.492 176.300 -0.041 0.000 1.121 1047 R CA 2.324 58.407 56.100 -0.029 0.000 0.930 1047 R CB -0.288 29.954 30.300 -0.097 0.000 0.890 1047 R HN 0.237 nan 8.270 nan 0.000 0.435 1048 R N -0.188 120.255 120.500 -0.095 0.000 2.103 1048 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 1048 R C 2.372 178.669 176.300 -0.005 0.000 1.142 1048 R CA 2.267 58.314 56.100 -0.088 0.000 0.960 1048 R CB -0.390 29.836 30.300 -0.123 0.000 0.858 1048 R HN 0.412 nan 8.270 nan 0.000 0.439 1049 I N 0.174 120.754 120.570 0.016 0.000 2.315 1049 I HA -0.253 3.916 4.170 -0.000 0.000 0.248 1049 I C 1.966 178.112 176.117 0.048 0.000 1.117 1049 I CA 1.089 62.427 61.300 0.062 0.000 1.404 1049 I CB -0.091 37.953 38.000 0.073 0.000 1.071 1049 I HN 0.139 nan 8.210 nan 0.000 0.419 1050 L N -1.099 120.149 121.223 0.041 0.000 2.162 1050 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 1050 L C 2.642 179.544 176.870 0.055 0.000 1.086 1050 L CA 0.781 55.641 54.840 0.034 0.000 0.778 1050 L CB -0.773 41.302 42.059 0.025 0.000 0.928 1050 L HN 0.203 nan 8.230 nan 0.000 0.446 1051 Y N 1.744 121.976 120.300 -0.114 0.000 2.040 1051 Y HA -0.282 4.267 4.550 -0.000 0.000 0.275 1051 Y C 2.318 178.149 175.900 -0.114 0.000 1.171 1051 Y CA 1.669 59.670 58.100 -0.164 0.000 1.123 1051 Y CB -0.969 37.291 38.460 -0.334 0.000 0.963 1051 Y HN 0.074 nan 8.280 nan 0.000 0.493 1052 G N -0.251 108.384 108.800 -0.275 0.000 2.443 1052 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 1052 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 1052 G C 1.843 176.690 174.900 -0.088 0.000 1.131 1052 G CA 0.743 45.712 45.100 -0.217 0.000 0.775 1052 G HN 0.473 nan 8.290 nan 0.000 0.547 1053 L N 0.464 121.665 121.223 -0.037 0.000 2.079 1053 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 1053 L C 2.650 179.499 176.870 -0.035 0.000 1.081 1053 L CA 1.259 56.091 54.840 -0.014 0.000 0.752 1053 L CB -0.293 41.764 42.059 -0.002 0.000 0.896 1053 L HN 0.337 nan 8.230 nan 0.000 0.433 1054 N N -0.497 118.171 118.700 -0.053 0.000 2.457 1054 N HA -0.150 4.589 4.740 -0.000 0.000 0.180 1054 N C 1.486 176.952 175.510 -0.072 0.000 1.050 1054 N CA 0.577 53.603 53.050 -0.039 0.000 0.906 1054 N CB 0.356 38.846 38.487 0.004 0.000 0.968 1054 N HN 0.346 nan 8.380 nan 0.000 0.445 1055 E N 0.520 120.630 120.200 -0.151 0.000 2.140 1055 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 1055 E C 1.794 178.362 176.600 -0.055 0.000 0.973 1055 E CA 0.475 56.793 56.400 -0.136 0.000 0.829 1055 E CB -0.149 29.401 29.700 -0.250 0.000 0.781 1055 E HN 0.391 nan 8.360 nan 0.000 0.466 1056 Q N 0.019 119.796 119.800 -0.039 0.000 2.291 1056 Q HA -0.054 4.286 4.340 -0.000 0.000 0.206 1056 Q C 0.814 176.809 176.000 -0.009 0.000 0.976 1056 Q CA 1.048 56.844 55.803 -0.010 0.000 0.875 1056 Q CB -0.308 28.432 28.738 0.004 0.000 0.927 1056 Q HN 0.392 nan 8.270 nan 0.000 0.450 1057 G N 1.646 110.436 108.800 -0.016 0.000 2.353 1057 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.294 1057 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.294 1057 G C -0.187 174.705 174.900 -0.013 0.000 1.077 1057 G CA 0.440 45.533 45.100 -0.011 0.000 1.098 1057 G HN 0.279 nan 8.290 nan 0.000 0.511 1058 M N 1.959 121.547 119.600 -0.020 0.000 2.808 1058 M HA 0.270 4.750 4.480 -0.000 0.000 0.225 1058 M C 0.868 177.137 176.300 -0.053 0.000 1.103 1058 M CA -0.210 55.069 55.300 -0.035 0.000 0.982 1058 M CB 0.672 33.253 32.600 -0.032 0.000 1.314 1058 M HN 0.394 nan 8.290 nan 0.000 0.505 1059 T N -2.204 112.325 114.554 -0.041 0.000 2.860 1059 T HA 0.247 4.597 4.350 -0.000 0.000 0.299 1059 T C -1.861 172.799 174.700 -0.066 0.000 1.045 1059 T CA -1.315 60.761 62.100 -0.040 0.000 1.071 1059 T CB 0.428 69.287 68.868 -0.016 0.000 0.985 1059 T HN 0.152 nan 8.240 nan 0.000 0.537 1060 P HA -0.191 nan 4.420 nan 0.000 0.218 1060 P C 1.096 178.346 177.300 -0.084 0.000 1.150 1060 P CA 1.709 64.756 63.100 -0.088 0.000 0.841 1060 P CB -0.222 31.455 31.700 -0.038 0.000 0.784 1061 D N -1.734 118.638 120.400 -0.046 0.000 2.263 1061 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 1061 D C 0.525 176.804 176.300 -0.036 0.000 0.971 1061 D CA 1.027 55.008 54.000 -0.030 0.000 0.867 1061 D CB -0.404 40.388 40.800 -0.013 0.000 0.929 1061 D HN 0.040 nan 8.370 nan 0.000 0.492 1062 K N 0.961 121.328 120.400 -0.056 0.000 2.118 1062 K HA 0.271 4.590 4.320 -0.000 0.000 0.267 1062 K C 0.365 176.914 176.600 -0.086 0.000 0.991 1062 K CA -0.502 55.756 56.287 -0.048 0.000 0.916 1062 K CB 1.599 34.077 32.500 -0.037 0.000 1.041 1062 K HN 0.276 nan 8.250 nan 0.000 0.455 1063 S N 1.309 116.995 115.700 -0.023 0.000 2.580 1063 S HA 0.088 4.558 4.470 -0.000 0.000 0.266 1063 S C 0.130 174.735 174.600 0.008 0.000 1.354 1063 S CA -0.300 57.919 58.200 0.031 0.000 1.008 1063 S CB -0.058 63.202 63.200 0.099 0.000 0.898 1063 S HN 0.342 nan 8.310 nan 0.000 0.555 1064 Y N 1.087 121.415 120.300 0.048 0.000 2.511 1064 Y HA 0.303 4.853 4.550 -0.000 0.000 0.347 1064 Y C 0.905 176.842 175.900 0.061 0.000 1.257 1064 Y CA 0.145 58.282 58.100 0.062 0.000 1.469 1064 Y CB 0.641 39.150 38.460 0.082 0.000 1.353 1064 Y HN 0.507 nan 8.280 nan 0.000 0.617 1065 K N 2.071 122.599 120.400 0.212 0.000 2.535 1065 K HA 0.246 4.566 4.320 -0.000 0.000 0.250 1065 K C -1.122 175.566 176.600 0.147 0.000 0.948 1065 K CA -1.250 55.122 56.287 0.141 0.000 0.796 1065 K CB 1.771 34.322 32.500 0.085 0.000 1.216 1065 K HN 0.411 nan 8.250 nan 0.000 0.432 1066 K N 0.976 121.446 120.400 0.117 0.000 2.591 1066 K HA -0.041 4.278 4.320 -0.000 0.000 0.280 1066 K C 0.950 177.617 176.600 0.113 0.000 0.964 1066 K CA 0.221 56.571 56.287 0.104 0.000 1.014 1066 K CB 0.073 32.597 32.500 0.040 0.000 0.877 1066 K HN 0.567 nan 8.250 nan 0.000 0.502 1067 S N 1.278 117.055 115.700 0.130 0.000 2.399 1067 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 1067 S C 1.797 176.429 174.600 0.053 0.000 1.022 1067 S CA 1.275 59.573 58.200 0.163 0.000 0.983 1067 S CB -0.077 63.256 63.200 0.222 0.000 0.803 1067 S HN 0.702 nan 8.310 nan 0.000 0.480 1068 A N 1.791 124.597 122.820 -0.025 0.000 1.930 1068 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 1068 A C 2.153 179.732 177.584 -0.008 0.000 1.175 1068 A CA 0.943 52.946 52.037 -0.057 0.000 0.627 1068 A CB -0.337 18.606 19.000 -0.095 0.000 0.815 1068 A HN 0.376 nan 8.150 nan 0.000 0.443 1069 R N -0.237 120.271 120.500 0.013 0.000 2.070 1069 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 1069 R C 2.083 178.410 176.300 0.044 0.000 1.138 1069 R CA 1.612 57.726 56.100 0.023 0.000 0.936 1069 R CB -0.706 29.612 30.300 0.030 0.000 0.839 1069 R HN 0.592 nan 8.270 nan 0.000 0.429 1070 I N 0.823 121.436 120.570 0.071 0.000 2.074 1070 I HA -0.349 3.821 4.170 -0.000 0.000 0.238 1070 I C 2.490 178.670 176.117 0.105 0.000 1.037 1070 I CA 1.784 63.142 61.300 0.096 0.000 1.301 1070 I CB -0.917 37.161 38.000 0.129 0.000 1.016 1070 I HN -0.015 nan 8.210 nan 0.000 0.400 1071 V N 1.502 121.482 119.914 0.110 0.000 2.261 1071 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 1071 V C 2.752 178.894 176.094 0.079 0.000 1.047 1071 V CA 2.213 64.583 62.300 0.116 0.000 1.015 1071 V CB -1.795 30.089 31.823 0.102 0.000 0.642 1071 V HN 0.629 nan 8.190 nan 0.000 0.446 1072 G N -0.640 108.184 108.800 0.040 0.000 2.562 1072 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.223 1072 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.223 1072 G C 1.227 176.137 174.900 0.017 0.000 1.102 1072 G CA 1.699 46.809 45.100 0.016 0.000 0.742 1072 G HN 0.585 nan 8.290 nan 0.000 0.587 1073 D N -0.991 119.430 120.400 0.035 0.000 2.202 1073 D HA 0.024 4.664 4.640 -0.000 0.000 0.214 1073 D C 2.690 178.997 176.300 0.011 0.000 0.967 1073 D CA 0.360 54.367 54.000 0.012 0.000 0.871 1073 D CB 0.080 40.902 40.800 0.036 0.000 1.020 1073 D HN 0.060 nan 8.370 nan 0.000 0.474 1074 V N 1.067 121.067 119.914 0.144 0.000 2.546 1074 V HA -0.253 3.867 4.120 -0.000 0.000 0.254 1074 V C 2.239 178.471 176.094 0.229 0.000 1.076 1074 V CA 1.521 64.015 62.300 0.325 0.000 1.087 1074 V CB -0.448 31.562 31.823 0.312 0.000 0.674 1074 V HN 0.348 nan 8.190 nan 0.000 0.470 1075 M N 0.228 119.900 119.600 0.120 0.000 2.388 1075 M HA 0.083 4.562 4.480 -0.000 0.000 0.265 1075 M C 1.671 177.969 176.300 -0.003 0.000 1.088 1075 M CA 1.640 56.980 55.300 0.068 0.000 1.134 1075 M CB -0.006 32.619 32.600 0.042 0.000 1.384 1075 M HN 0.343 nan 8.290 nan 0.000 0.447 1076 G N -0.235 108.549 108.800 -0.028 0.000 3.233 1076 G HA2 0.114 4.074 3.960 -0.000 0.000 0.234 1076 G HA3 0.114 4.074 3.960 -0.000 0.000 0.234 1076 G C 1.090 175.933 174.900 -0.095 0.000 1.137 1076 G CA -0.141 44.943 45.100 -0.027 0.000 0.763 1076 G HN 0.383 nan 8.290 nan 0.000 0.549 1077 K N -1.440 118.789 120.400 -0.284 0.000 2.548 1077 K HA 0.236 4.556 4.320 -0.000 0.000 0.209 1077 K C 0.490 176.822 176.600 -0.445 0.000 1.420 1077 K CA 0.162 56.073 56.287 -0.627 0.000 0.985 1077 K CB 0.716 32.439 32.500 -1.294 0.000 1.249 1077 K HN 0.299 nan 8.250 nan 0.000 0.557 1078 Y N -1.747 118.754 120.300 0.335 0.000 2.965 1078 Y HA 0.244 4.793 4.550 -0.000 0.000 0.242 1078 Y C 0.374 176.453 175.900 0.298 0.000 1.078 1078 Y CA -0.381 57.923 58.100 0.340 0.000 1.288 1078 Y CB 0.180 38.788 38.460 0.247 0.000 1.459 1078 Y HN -0.104 nan 8.280 nan 0.000 0.438 1079 H N 3.425 122.598 119.070 0.172 0.000 2.638 1079 H HA 0.446 5.002 4.556 -0.000 0.000 0.303 1079 H C -2.900 172.299 175.328 -0.214 0.000 1.034 1079 H CA -3.393 52.679 56.048 0.041 0.000 1.225 1079 H CB 1.419 31.281 29.762 0.167 0.000 1.394 1079 H HN -0.122 nan 8.280 nan 0.000 0.477 1080 P HA 0.233 nan 4.420 nan 0.000 0.226 1080 P C -0.760 175.746 177.300 -1.322 0.000 1.832 1080 P CA 0.151 62.673 63.100 -0.963 0.000 1.092 1080 P CB 0.372 31.448 31.700 -1.040 0.000 1.873 1081 H N -0.097 118.749 119.070 -0.374 0.000 3.054 1081 H HA 0.391 4.947 4.556 -0.000 0.000 0.271 1081 H C 0.254 175.509 175.328 -0.121 0.000 1.551 1081 H CA -0.868 55.020 56.048 -0.267 0.000 1.196 1081 H CB 0.563 30.095 29.762 -0.384 0.000 1.867 1081 H HN 0.175 nan 8.280 nan 0.000 0.637 1082 G N 0.495 109.352 108.800 0.095 0.000 2.354 1082 G HA2 0.128 4.088 3.960 -0.000 0.000 0.266 1082 G HA3 0.128 4.088 3.960 -0.000 0.000 0.266 1082 G C 0.349 175.305 174.900 0.093 0.000 1.242 1082 G CA 0.164 45.305 45.100 0.069 0.000 0.923 1082 G HN 0.600 nan 8.290 nan 0.000 0.476 1083 D N 1.626 122.067 120.400 0.069 0.000 2.203 1083 D HA -0.286 4.353 4.640 -0.000 0.000 0.199 1083 D C 2.374 178.749 176.300 0.126 0.000 0.997 1083 D CA 1.728 55.778 54.000 0.084 0.000 0.863 1083 D CB -0.025 40.791 40.800 0.027 0.000 0.928 1083 D HN 0.440 nan 8.370 nan 0.000 0.458 1084 S N 0.093 115.859 115.700 0.109 0.000 2.356 1084 S HA -0.210 4.260 4.470 -0.000 0.000 0.223 1084 S C 2.063 176.767 174.600 0.173 0.000 1.032 1084 S CA 1.249 59.534 58.200 0.143 0.000 1.005 1084 S CB -0.752 62.508 63.200 0.100 0.000 0.867 1084 S HN 0.284 nan 8.310 nan 0.000 0.449 1085 S N 2.291 118.075 115.700 0.138 0.000 2.355 1085 S HA 0.119 4.589 4.470 -0.000 0.000 0.222 1085 S C 1.881 176.574 174.600 0.155 0.000 1.031 1085 S CA 1.289 59.566 58.200 0.128 0.000 0.993 1085 S CB -0.604 62.656 63.200 0.099 0.000 0.859 1085 S HN 0.480 nan 8.310 nan 0.000 0.453 1086 I N 0.300 120.987 120.570 0.195 0.000 2.208 1086 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 1086 I C 2.364 178.622 176.117 0.235 0.000 1.097 1086 I CA 1.604 63.029 61.300 0.208 0.000 1.363 1086 I CB -0.426 37.714 38.000 0.234 0.000 1.051 1086 I HN 0.271 nan 8.210 nan 0.000 0.413 1087 Y N 2.154 122.520 120.300 0.109 0.000 2.062 1087 Y HA -0.275 4.275 4.550 -0.000 0.000 0.272 1087 Y C 2.433 178.414 175.900 0.136 0.000 1.117 1087 Y CA 1.763 59.934 58.100 0.118 0.000 1.095 1087 Y CB -0.675 37.841 38.460 0.094 0.000 0.985 1087 Y HN 0.099 nan 8.280 nan 0.000 0.479 1088 E N -0.136 120.111 120.200 0.078 0.000 2.396 1088 E HA -0.159 4.191 4.350 -0.000 0.000 0.200 1088 E C 2.013 178.636 176.600 0.038 0.000 1.023 1088 E CA 0.807 57.193 56.400 -0.023 0.000 0.857 1088 E CB -0.241 29.501 29.700 0.070 0.000 0.775 1088 E HN 0.540 nan 8.360 nan 0.000 0.525 1089 A N 0.542 123.416 122.820 0.091 0.000 1.878 1089 A HA -0.047 4.273 4.320 -0.000 0.000 0.213 1089 A C 2.049 179.720 177.584 0.145 0.000 1.192 1089 A CA 0.744 52.874 52.037 0.155 0.000 0.619 1089 A CB -0.263 18.805 19.000 0.113 0.000 0.837 1089 A HN 0.237 nan 8.150 nan 0.000 0.446 1090 M N -0.085 119.573 119.600 0.096 0.000 2.175 1090 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 1090 M C 1.906 178.187 176.300 -0.032 0.000 1.063 1090 M CA 1.529 56.865 55.300 0.059 0.000 1.119 1090 M CB -0.217 32.455 32.600 0.120 0.000 1.377 1090 M HN 0.217 nan 8.290 nan 0.000 0.415 1091 V N 0.703 120.576 119.914 -0.067 0.000 2.287 1091 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 1091 V C 2.354 178.411 176.094 -0.061 0.000 1.053 1091 V CA 2.011 64.285 62.300 -0.043 0.000 1.027 1091 V CB -0.798 30.900 31.823 -0.208 0.000 0.646 1091 V HN 0.515 nan 8.190 nan 0.000 0.447 1092 R N -0.599 119.880 120.500 -0.036 0.000 2.094 1092 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 1092 R C 2.290 178.485 176.300 -0.175 0.000 1.137 1092 R CA 2.027 58.126 56.100 -0.002 0.000 0.943 1092 R CB -0.403 29.998 30.300 0.169 0.000 0.850 1092 R HN 0.446 nan 8.270 nan 0.000 0.433 1093 M N -0.519 118.822 119.600 -0.432 0.000 2.521 1093 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 1093 M C 1.625 177.572 176.300 -0.587 0.000 1.068 1093 M CA 1.325 56.048 55.300 -0.961 0.000 1.060 1093 M CB -0.061 32.163 32.600 -0.627 0.000 1.398 1093 M HN 0.216 nan 8.290 nan 0.000 0.473 1094 A N -0.556 122.035 122.820 -0.380 0.000 2.431 1094 A HA 0.162 4.482 4.320 -0.000 0.000 0.239 1094 A C 0.424 177.841 177.584 -0.278 0.000 1.230 1094 A CA -0.300 51.520 52.037 -0.361 0.000 0.928 1094 A CB 0.280 18.930 19.000 -0.584 0.000 1.006 1094 A HN 0.433 nan 8.150 nan 0.000 0.520 1095 Q N 1.162 120.808 119.800 -0.257 0.000 2.390 1095 Q HA 0.150 4.490 4.340 -0.000 0.000 0.249 1095 Q C -0.222 175.600 176.000 -0.295 0.000 0.996 1095 Q CA -0.400 55.186 55.803 -0.361 0.000 0.899 1095 Q CB 1.261 29.552 28.738 -0.747 0.000 1.216 1095 Q HN 0.515 nan 8.270 nan 0.000 0.465 1096 D N 2.381 122.724 120.400 -0.096 0.000 2.354 1096 D HA -0.202 4.438 4.640 -0.000 0.000 0.216 1096 D C 0.903 177.260 176.300 0.095 0.000 0.970 1096 D CA 1.008 55.022 54.000 0.023 0.000 0.905 1096 D CB -0.052 40.794 40.800 0.076 0.000 0.903 1096 D HN 0.615 nan 8.370 nan 0.000 0.508 1097 F N -1.935 118.084 119.950 0.116 0.000 2.695 1097 F HA 0.511 5.038 4.527 -0.000 0.000 0.303 1097 F C 1.845 177.787 175.800 0.235 0.000 1.091 1097 F CA -0.646 57.442 58.000 0.147 0.000 1.300 1097 F CB -0.002 39.061 39.000 0.105 0.000 1.071 1097 F HN -0.136 nan 8.300 nan 0.000 0.578 1098 S N -1.039 114.521 115.700 -0.234 0.000 2.438 1098 S HA 0.174 4.644 4.470 -0.000 0.000 0.220 1098 S C -0.361 174.344 174.600 0.176 0.000 1.045 1098 S CA 0.164 58.365 58.200 0.002 0.000 0.940 1098 S CB -0.158 62.953 63.200 -0.148 0.000 0.863 1098 S HN 0.234 nan 8.310 nan 0.000 0.539 1099 Y N 1.811 122.081 120.300 -0.050 0.000 2.320 1099 Y HA 0.436 4.986 4.550 -0.000 0.000 0.334 1099 Y C 1.009 176.853 175.900 -0.094 0.000 1.055 1099 Y CA -0.940 57.134 58.100 -0.043 0.000 1.143 1099 Y CB 0.929 39.355 38.460 -0.056 0.000 1.193 1099 Y HN -0.015 nan 8.280 nan 0.000 0.477 1100 R N 2.185 122.618 120.500 -0.113 0.000 2.094 1100 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 1100 R C -0.822 175.188 176.300 -0.483 0.000 1.137 1100 R CA 1.837 57.726 56.100 -0.351 0.000 0.943 1100 R CB -0.477 29.532 30.300 -0.484 0.000 0.850 1100 R HN 0.637 nan 8.270 nan 0.000 0.433 1101 Y N 0.354 120.698 120.300 0.074 0.000 2.575 1101 Y HA 0.413 4.963 4.550 -0.000 0.000 0.326 1101 Y C -2.108 173.844 175.900 0.086 0.000 0.979 1101 Y CA -3.502 54.631 58.100 0.054 0.000 1.286 1101 Y CB 1.163 39.622 38.460 -0.001 0.000 1.093 1101 Y HN 0.058 nan 8.280 nan 0.000 0.501 1102 P HA -0.037 nan 4.420 nan 0.000 0.260 1102 P C 0.452 177.727 177.300 -0.042 0.000 1.172 1102 P CA 0.597 63.704 63.100 0.011 0.000 0.760 1102 P CB 0.783 32.465 31.700 -0.030 0.000 0.773 1103 L N 2.601 123.710 121.223 -0.190 0.000 2.629 1103 L HA 0.162 4.502 4.340 -0.000 0.000 0.230 1103 L C 0.545 177.315 176.870 -0.167 0.000 1.151 1103 L CA 0.111 54.859 54.840 -0.153 0.000 0.924 1103 L CB -0.029 41.913 42.059 -0.196 0.000 1.137 1103 L HN 0.189 nan 8.230 nan 0.000 0.457 1104 V N -1.490 118.309 119.914 -0.190 0.000 3.103 1104 V HA 0.442 4.562 4.120 -0.000 0.000 0.311 1104 V C -1.548 174.452 176.094 -0.157 0.000 1.322 1104 V CA -0.748 61.448 62.300 -0.174 0.000 1.063 1104 V CB 2.805 34.492 31.823 -0.227 0.000 1.090 1104 V HN -0.082 nan 8.190 nan 0.000 0.462 1105 D N 0.178 120.491 120.400 -0.146 0.000 2.319 1105 D HA 0.515 5.155 4.640 -0.000 0.000 0.237 1105 D C 0.043 176.344 176.300 0.002 0.000 1.353 1105 D CA 0.162 54.118 54.000 -0.073 0.000 0.992 1105 D CB 1.047 41.827 40.800 -0.033 0.000 1.368 1105 D HN 0.814 nan 8.370 nan 0.000 0.564 1106 G N 1.584 110.240 108.800 -0.241 0.000 2.621 1106 G HA2 0.463 4.423 3.960 -0.000 0.000 0.271 1106 G HA3 0.463 4.423 3.960 -0.000 0.000 0.271 1106 G C -0.614 174.390 174.900 0.173 0.000 1.236 1106 G CA -0.278 44.580 45.100 -0.404 0.000 0.958 1106 G HN 0.411 nan 8.290 nan 0.000 0.512 1107 Q N -0.960 119.114 119.800 0.458 0.000 2.263 1107 Q HA 0.537 4.877 4.340 -0.000 0.000 0.266 1107 Q C 0.034 176.166 176.000 0.221 0.000 1.002 1107 Q CA 0.624 56.462 55.803 0.058 0.000 0.790 1107 Q CB 1.288 29.734 28.738 -0.488 0.000 1.272 1107 Q HN 1.920 nan 8.270 nan 0.000 0.435 1108 G N 3.171 112.047 108.800 0.127 0.000 2.466 1108 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 1108 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 1108 G C -0.923 174.048 174.900 0.119 0.000 1.237 1108 G CA -0.380 44.770 45.100 0.084 0.000 0.954 1108 G HN 0.781 nan 8.290 nan 0.000 0.580 1109 N N 1.053 119.755 118.700 0.003 0.000 2.448 1109 N HA 0.441 5.181 4.740 -0.000 0.000 0.250 1109 N C -0.602 174.840 175.510 -0.113 0.000 1.136 1109 N CA -0.181 52.867 53.050 -0.002 0.000 0.953 1109 N CB -0.557 37.911 38.487 -0.031 0.000 1.251 1109 N HN 0.354 nan 8.380 nan 0.000 0.502 1110 F N 2.740 122.735 119.950 0.075 0.000 2.578 1110 F HA 0.350 4.877 4.527 -0.000 0.000 0.314 1110 F C 1.578 177.429 175.800 0.086 0.000 1.225 1110 F CA 0.077 58.112 58.000 0.059 0.000 1.215 1110 F CB 0.136 39.153 39.000 0.029 0.000 1.448 1110 F HN 0.610 nan 8.300 nan 0.000 0.548 1111 G N 0.808 109.712 108.800 0.172 0.000 2.598 1111 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.269 1111 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.269 1111 G C -0.212 174.825 174.900 0.229 0.000 1.289 1111 G CA -0.054 45.155 45.100 0.181 0.000 0.926 1111 G HN 0.753 nan 8.290 nan 0.000 0.567 1112 S N -2.779 113.066 115.700 0.241 0.000 2.688 1112 S HA 0.435 4.905 4.470 -0.000 0.000 0.269 1112 S C 1.135 175.640 174.600 -0.159 0.000 1.060 1112 S CA 0.542 58.826 58.200 0.139 0.000 0.844 1112 S CB 0.781 64.009 63.200 0.045 0.000 1.095 1112 S HN 0.851 nan 8.310 nan 0.000 0.466 1113 M N 1.539 120.753 119.600 -0.643 0.000 2.113 1113 M HA -0.175 4.305 4.480 -0.000 0.000 0.255 1113 M C 0.840 176.938 176.300 -0.337 0.000 1.073 1113 M CA 2.057 56.860 55.300 -0.827 0.000 1.091 1113 M CB -0.899 31.303 32.600 -0.663 0.000 1.309 1113 M HN 0.650 nan 8.290 nan 0.000 0.407 1114 D N -0.876 119.404 120.400 -0.199 0.000 2.389 1114 D HA -0.045 4.595 4.640 -0.000 0.000 0.221 1114 D C 1.407 177.667 176.300 -0.066 0.000 0.974 1114 D CA 1.371 55.305 54.000 -0.110 0.000 0.923 1114 D CB -0.142 40.612 40.800 -0.077 0.000 0.892 1114 D HN 0.695 nan 8.370 nan 0.000 0.518 1115 G N 0.924 109.695 108.800 -0.048 0.000 2.192 1115 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.193 1115 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.193 1115 G C -0.276 174.643 174.900 0.032 0.000 0.999 1115 G CA -0.386 44.717 45.100 0.005 0.000 0.659 1115 G HN 0.204 nan 8.290 nan 0.000 0.503 1116 D N 1.362 121.779 120.400 0.029 0.000 2.450 1116 D HA 0.473 5.113 4.640 -0.000 0.000 0.247 1116 D C 1.444 177.788 176.300 0.073 0.000 1.162 1116 D CA 1.378 55.402 54.000 0.041 0.000 0.879 1116 D CB 0.779 41.597 40.800 0.031 0.000 1.163 1116 D HN 0.492 nan 8.370 nan 0.000 0.472 1117 G N 1.389 110.229 108.800 0.066 0.000 2.744 1117 G HA2 0.389 4.349 3.960 -0.000 0.000 0.257 1117 G HA3 0.389 4.349 3.960 -0.000 0.000 0.257 1117 G C 0.158 175.105 174.900 0.078 0.000 1.244 1117 G CA -0.070 45.077 45.100 0.078 0.000 0.916 1117 G HN 0.614 nan 8.290 nan 0.000 0.564 1118 A N -0.503 122.359 122.820 0.071 0.000 2.267 1118 A HA 0.741 5.060 4.320 -0.000 0.000 0.271 1118 A C 1.038 178.654 177.584 0.055 0.000 1.131 1118 A CA 0.373 52.428 52.037 0.031 0.000 0.818 1118 A CB -0.057 18.898 19.000 -0.074 0.000 1.118 1118 A HN 1.781 nan 8.150 nan 0.000 0.501 1119 A N -0.841 121.979 122.820 -0.001 0.000 2.267 1119 A HA 0.594 4.914 4.320 -0.000 0.000 0.271 1119 A C 0.731 178.421 177.584 0.175 0.000 1.131 1119 A CA 0.155 52.219 52.037 0.046 0.000 0.818 1119 A CB -0.461 18.523 19.000 -0.027 0.000 1.118 1119 A HN 2.139 nan 8.150 nan 0.000 0.501 1120 A N 0.123 123.059 122.820 0.195 0.000 2.409 1120 A HA 0.440 4.760 4.320 -0.000 0.000 0.262 1120 A C 1.164 178.689 177.584 -0.098 0.000 1.113 1120 A CA 0.180 52.288 52.037 0.119 0.000 0.790 1120 A CB -0.453 18.707 19.000 0.267 0.000 1.046 1120 A HN 1.305 nan 8.150 nan 0.000 0.496 1121 M N 2.155 121.435 119.600 -0.534 0.000 2.617 1121 M HA -0.154 4.326 4.480 -0.000 0.000 0.258 1121 M C 1.561 177.667 176.300 -0.325 0.000 1.067 1121 M CA 1.931 56.794 55.300 -0.730 0.000 1.057 1121 M CB -0.451 31.546 32.600 -1.006 0.000 1.397 1121 M HN 0.787 nan 8.290 nan 0.000 0.499 1122 R N 0.902 121.217 120.500 -0.308 0.000 2.057 1122 R HA -0.020 4.320 4.340 -0.000 0.000 0.229 1122 R C 1.409 177.500 176.300 -0.349 0.000 1.136 1122 R CA 1.694 57.558 56.100 -0.394 0.000 0.952 1122 R CB -0.340 29.569 30.300 -0.653 0.000 0.848 1122 R HN 0.482 nan 8.270 nan 0.000 0.430 1123 F N 0.906 120.810 119.950 -0.077 0.000 2.661 1123 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 1123 F C 1.013 176.788 175.800 -0.042 0.000 1.137 1123 F CA 0.600 58.569 58.000 -0.051 0.000 1.454 1123 F CB 0.031 39.000 39.000 -0.053 0.000 1.103 1123 F HN 0.106 nan 8.300 nan 0.000 0.577 1124 T N -2.484 112.122 114.554 0.087 0.000 2.949 1124 T HA 0.670 5.019 4.350 -0.000 0.000 0.287 1124 T C -0.445 174.360 174.700 0.175 0.000 1.034 1124 T CA -0.865 61.286 62.100 0.085 0.000 1.018 1124 T CB 2.528 71.325 68.868 -0.119 0.000 1.135 1124 T HN 0.018 nan 8.240 nan 0.000 0.532 1125 E N -0.767 119.606 120.200 0.288 0.000 2.410 1125 E HA 0.736 5.085 4.350 -0.000 0.000 0.269 1125 E C -1.242 175.670 176.600 0.519 0.000 0.937 1125 E CA -1.496 55.109 56.400 0.343 0.000 0.793 1125 E CB 2.360 32.236 29.700 0.292 0.000 1.314 1125 E HN 1.033 nan 8.360 nan 0.000 0.447 1126 A N 1.086 124.176 122.820 0.451 0.000 2.590 1126 A HA 0.676 4.996 4.320 -0.000 0.000 0.294 1126 A C -1.472 176.181 177.584 0.115 0.000 1.046 1126 A CA -0.832 51.402 52.037 0.329 0.000 0.684 1126 A CB 1.313 20.487 19.000 0.290 0.000 1.279 1126 A HN 0.675 nan 8.150 nan 0.000 0.415 1127 R N 0.584 121.066 120.500 -0.030 0.000 2.747 1127 R HA 0.801 5.141 4.340 -0.000 0.000 0.272 1127 R C -0.623 175.613 176.300 -0.107 0.000 1.032 1127 R CA -1.036 54.994 56.100 -0.116 0.000 0.896 1127 R CB 0.729 30.861 30.300 -0.280 0.000 1.253 1127 R HN 0.588 nan 8.270 nan 0.000 0.461 1128 M N 1.247 120.792 119.600 -0.091 0.000 2.167 1128 M HA 0.188 4.668 4.480 -0.000 0.000 0.300 1128 M C 0.085 176.338 176.300 -0.077 0.000 1.171 1128 M CA 0.214 55.471 55.300 -0.073 0.000 1.171 1128 M CB 0.803 33.376 32.600 -0.046 0.000 1.396 1128 M HN 0.765 nan 8.290 nan 0.000 0.466 1129 T N -1.487 113.033 114.554 -0.057 0.000 2.918 1129 T HA 0.307 4.657 4.350 -0.000 0.000 0.283 1129 T C 0.651 175.348 174.700 -0.005 0.000 1.001 1129 T CA -1.009 61.074 62.100 -0.030 0.000 1.041 1129 T CB 1.109 69.960 68.868 -0.028 0.000 1.028 1129 T HN 0.545 nan 8.240 nan 0.000 0.511 1130 K N 0.307 120.741 120.400 0.057 0.000 2.152 1130 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 1130 K C 1.983 178.644 176.600 0.102 0.000 1.048 1130 K CA 1.011 57.380 56.287 0.137 0.000 0.933 1130 K CB -0.416 32.215 32.500 0.217 0.000 0.721 1130 K HN 0.591 nan 8.250 nan 0.000 0.447 1131 I N 1.031 121.553 120.570 -0.081 0.000 2.493 1131 I HA -0.220 3.949 4.170 -0.000 0.000 0.254 1131 I C 1.496 177.377 176.117 -0.393 0.000 1.160 1131 I CA 1.299 62.182 61.300 -0.695 0.000 1.445 1131 I CB 0.054 37.613 38.000 -0.735 0.000 1.086 1131 I HN 0.052 nan 8.210 nan 0.000 0.433 1132 T N 1.321 115.791 114.554 -0.140 0.000 3.035 1132 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 1132 T C 1.812 176.503 174.700 -0.015 0.000 1.109 1132 T CA 0.800 62.878 62.100 -0.036 0.000 1.119 1132 T CB -0.182 68.671 68.868 -0.024 0.000 0.900 1132 T HN 0.321 nan 8.240 nan 0.000 0.503 1133 L N 0.905 122.111 121.223 -0.028 0.000 2.127 1133 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 1133 L C 2.442 179.328 176.870 0.026 0.000 1.089 1133 L CA 1.068 55.917 54.840 0.015 0.000 0.757 1133 L CB -0.385 41.704 42.059 0.049 0.000 0.899 1133 L HN 0.210 nan 8.230 nan 0.000 0.434 1134 E N -0.186 120.004 120.200 -0.015 0.000 2.481 1134 E HA -0.021 4.329 4.350 -0.000 0.000 0.195 1134 E C 2.165 178.847 176.600 0.137 0.000 1.047 1134 E CA 0.484 56.906 56.400 0.037 0.000 0.867 1134 E CB 0.153 29.800 29.700 -0.087 0.000 0.858 1134 E HN 0.509 nan 8.360 nan 0.000 0.513 1135 L N -0.381 120.923 121.223 0.134 0.000 2.341 1135 L HA 0.031 4.371 4.340 -0.000 0.000 0.214 1135 L C 1.407 178.317 176.870 0.068 0.000 1.115 1135 L CA 0.564 55.466 54.840 0.104 0.000 0.820 1135 L CB 0.131 42.237 42.059 0.078 0.000 0.944 1135 L HN 0.031 nan 8.230 nan 0.000 0.452 1136 L N -1.211 120.053 121.223 0.067 0.000 3.066 1136 L HA 0.254 4.594 4.340 -0.000 0.000 0.265 1136 L C 0.635 177.545 176.870 0.065 0.000 1.232 1136 L CA -0.158 54.723 54.840 0.068 0.000 1.031 1136 L CB 0.146 42.247 42.059 0.070 0.000 1.379 1136 L HN -0.015 nan 8.230 nan 0.000 0.563 1137 R N 1.597 122.136 120.500 0.065 0.000 2.442 1137 R HA 0.057 4.397 4.340 -0.000 0.000 0.291 1137 R C -0.299 176.030 176.300 0.049 0.000 1.069 1137 R CA 0.070 56.206 56.100 0.059 0.000 1.022 1137 R CB 0.293 30.634 30.300 0.068 0.000 0.976 1137 R HN 0.218 nan 8.270 nan 0.000 0.443 1138 D N 3.040 123.463 120.400 0.038 0.000 2.697 1138 D HA -0.254 4.386 4.640 -0.000 0.000 0.238 1138 D C 0.400 176.692 176.300 -0.012 0.000 1.152 1138 D CA 0.925 54.933 54.000 0.014 0.000 0.666 1138 D CB -0.922 39.890 40.800 0.021 0.000 1.037 1138 D HN 0.645 nan 8.370 nan 0.000 0.423 1139 I N -0.893 119.682 120.570 0.009 0.000 2.927 1139 I HA -0.047 4.123 4.170 -0.000 0.000 0.268 1139 I C 1.168 177.284 176.117 -0.002 0.000 1.153 1139 I CA 0.165 61.488 61.300 0.038 0.000 1.459 1139 I CB 0.266 38.329 38.000 0.105 0.000 1.149 1139 I HN -0.096 nan 8.210 nan 0.000 0.443 1140 N N 2.290 120.966 118.700 -0.039 0.000 2.413 1140 N HA 0.032 4.772 4.740 -0.000 0.000 0.207 1140 N C -0.029 175.274 175.510 -0.345 0.000 1.206 1140 N CA 0.323 53.296 53.050 -0.128 0.000 0.832 1140 N CB 0.173 38.635 38.487 -0.042 0.000 1.037 1140 N HN 0.457 nan 8.380 nan 0.000 0.467 1141 K N 0.562 120.695 120.400 -0.444 0.000 2.699 1141 K HA 0.056 4.376 4.320 -0.000 0.000 0.210 1141 K C -0.610 175.445 176.600 -0.909 0.000 1.076 1141 K CA -0.318 55.396 56.287 -0.955 0.000 1.109 1141 K CB 0.289 32.561 32.500 -0.379 0.000 0.862 1141 K HN -0.053 nan 8.250 nan 0.000 0.470 1142 D N 1.480 121.510 120.400 -0.617 0.000 3.003 1142 D HA -0.160 4.480 4.640 -0.000 0.000 0.223 1142 D C 0.404 176.594 176.300 -0.184 0.000 1.204 1142 D CA 1.140 54.953 54.000 -0.313 0.000 0.828 1142 D CB -0.327 40.354 40.800 -0.198 0.000 0.918 1142 D HN 0.479 nan 8.370 nan 0.000 0.401 1143 T N -1.270 113.206 114.554 -0.129 0.000 2.978 1143 T HA 0.349 4.698 4.350 -0.000 0.000 0.248 1143 T C 0.753 175.414 174.700 -0.064 0.000 1.018 1143 T CA 0.473 62.520 62.100 -0.089 0.000 1.026 1143 T CB 0.244 69.067 68.868 -0.076 0.000 1.032 1143 T HN 0.381 nan 8.240 nan 0.000 0.485 1144 I N -0.891 119.679 120.570 -0.001 0.000 2.913 1144 I HA 0.640 4.810 4.170 -0.000 0.000 0.302 1144 I C -1.759 174.432 176.117 0.124 0.000 1.246 1144 I CA -1.559 59.761 61.300 0.034 0.000 1.010 1144 I CB 1.251 39.276 38.000 0.042 0.000 1.259 1144 I HN -0.295 nan 8.210 nan 0.000 0.434 1145 D N 2.791 123.243 120.400 0.087 0.000 2.378 1145 D HA 0.290 4.930 4.640 -0.000 0.000 0.238 1145 D C -0.933 175.511 176.300 0.240 0.000 1.180 1145 D CA 0.717 54.794 54.000 0.128 0.000 0.895 1145 D CB 0.350 41.182 40.800 0.054 0.000 1.192 1145 D HN 0.310 nan 8.370 nan 0.000 0.438 1146 F N 0.201 120.116 119.950 -0.058 0.000 2.480 1146 F HA 0.432 4.959 4.527 -0.000 0.000 0.329 1146 F C 0.424 176.197 175.800 -0.046 0.000 1.091 1146 F CA -1.181 56.780 58.000 -0.064 0.000 0.972 1146 F CB 1.020 39.991 39.000 -0.048 0.000 1.150 1146 F HN 0.165 nan 8.300 nan 0.000 0.467 1147 I N -0.716 119.830 120.570 -0.039 0.000 2.863 1147 I HA 0.571 4.740 4.170 -0.000 0.000 0.311 1147 I C -0.658 175.471 176.117 0.021 0.000 1.026 1147 I CA -0.785 60.507 61.300 -0.014 0.000 1.077 1147 I CB 1.651 39.615 38.000 -0.061 0.000 1.262 1147 I HN 0.313 nan 8.210 nan 0.000 0.461 1148 D N 3.238 123.661 120.400 0.037 0.000 2.255 1148 D HA 0.133 4.773 4.640 -0.000 0.000 0.249 1148 D C -0.406 175.921 176.300 0.046 0.000 1.078 1148 D CA -0.079 53.949 54.000 0.047 0.000 0.896 1148 D CB 1.226 42.046 40.800 0.033 0.000 1.194 1148 D HN 0.681 nan 8.370 nan 0.000 0.429 1149 N N 1.022 119.755 118.700 0.054 0.000 2.503 1149 N HA -0.112 4.628 4.740 -0.000 0.000 0.267 1149 N C 1.118 176.619 175.510 -0.014 0.000 1.214 1149 N CA -0.346 52.757 53.050 0.089 0.000 0.959 1149 N CB 0.282 38.850 38.487 0.135 0.000 1.142 1149 N HN 0.532 nan 8.380 nan 0.000 0.455 1150 Y N -0.177 120.166 120.300 0.072 0.000 2.316 1150 Y HA -0.303 4.247 4.550 -0.000 0.000 0.279 1150 Y C 0.589 176.503 175.900 0.023 0.000 1.217 1150 Y CA 2.027 60.151 58.100 0.041 0.000 1.273 1150 Y CB -0.731 37.746 38.460 0.029 0.000 0.970 1150 Y HN 0.653 nan 8.280 nan 0.000 0.553 1151 D N -1.577 118.363 120.400 -0.767 0.000 2.474 1151 D HA 0.181 4.821 4.640 -0.000 0.000 0.213 1151 D C 1.437 177.586 176.300 -0.253 0.000 1.120 1151 D CA 0.248 53.949 54.000 -0.498 0.000 0.836 1151 D CB -0.219 40.176 40.800 -0.674 0.000 1.019 1151 D HN 0.521 nan 8.370 nan 0.000 0.507 1152 G N 0.822 109.502 108.800 -0.200 0.000 2.333 1152 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.296 1152 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.296 1152 G C 0.208 175.050 174.900 -0.096 0.000 1.059 1152 G CA 0.290 45.331 45.100 -0.098 0.000 1.050 1152 G HN 0.361 nan 8.290 nan 0.000 0.508 1153 N N -0.196 118.431 118.700 -0.121 0.000 2.082 1153 N HA 0.201 4.941 4.740 -0.000 0.000 0.228 1153 N C 0.054 175.538 175.510 -0.043 0.000 1.341 1153 N CA 0.327 53.325 53.050 -0.087 0.000 0.873 1153 N CB 0.742 39.153 38.487 -0.126 0.000 1.137 1153 N HN 0.628 nan 8.380 nan 0.000 0.505 1154 E N -0.255 119.940 120.200 -0.009 0.000 2.409 1154 E HA 0.319 4.669 4.350 -0.000 0.000 0.280 1154 E C -0.942 175.751 176.600 0.155 0.000 1.079 1154 E CA -0.615 55.836 56.400 0.086 0.000 0.840 1154 E CB 1.826 31.581 29.700 0.092 0.000 1.309 1154 E HN -0.107 nan 8.360 nan 0.000 0.447 1155 R N 1.208 121.860 120.500 0.253 0.000 2.668 1155 R HA 0.515 4.855 4.340 -0.000 0.000 0.279 1155 R C -0.158 176.318 176.300 0.294 0.000 0.976 1155 R CA -0.505 55.764 56.100 0.282 0.000 0.978 1155 R CB 1.741 32.281 30.300 0.400 0.000 1.133 1155 R HN 0.713 nan 8.270 nan 0.000 0.484 1156 E N 0.952 121.118 120.200 -0.055 0.000 2.408 1156 E HA 0.526 4.875 4.350 -0.000 0.000 0.275 1156 E C -2.875 173.025 176.600 -1.166 0.000 0.935 1156 E CA -2.380 53.681 56.400 -0.564 0.000 0.775 1156 E CB 2.153 31.664 29.700 -0.315 0.000 1.277 1156 E HN 0.108 nan 8.360 nan 0.000 0.455 1157 P HA 0.021 nan 4.420 nan 0.000 0.275 1157 P C 0.444 177.320 177.300 -0.707 0.000 1.227 1157 P CA -0.342 61.986 63.100 -1.287 0.000 0.781 1157 P CB 1.138 32.245 31.700 -0.988 0.000 0.906 1158 S N 1.690 117.108 115.700 -0.470 0.000 2.489 1158 S HA 0.121 4.591 4.470 -0.000 0.000 0.228 1158 S C 0.624 175.101 174.600 -0.204 0.000 0.995 1158 S CA 0.299 58.343 58.200 -0.260 0.000 0.934 1158 S CB -0.313 62.794 63.200 -0.154 0.000 0.771 1158 S HN 0.432 nan 8.310 nan 0.000 0.522 1159 V N 0.904 120.692 119.914 -0.210 0.000 2.903 1159 V HA 0.348 4.468 4.120 -0.000 0.000 0.289 1159 V C -1.639 174.389 176.094 -0.110 0.000 1.355 1159 V CA -1.079 61.139 62.300 -0.137 0.000 0.953 1159 V CB 1.799 33.584 31.823 -0.063 0.000 1.102 1159 V HN 0.396 nan 8.190 nan 0.000 0.435 1160 L N 7.835 128.995 121.223 -0.106 0.000 2.380 1160 L HA 0.349 4.689 4.340 -0.000 0.000 0.273 1160 L C -1.324 175.558 176.870 0.020 0.000 1.138 1160 L CA -1.410 53.399 54.840 -0.052 0.000 0.832 1160 L CB 1.350 43.379 42.059 -0.050 0.000 1.124 1160 L HN 0.509 nan 8.230 nan 0.000 0.454 1161 P HA -0.239 nan 4.420 nan 0.000 0.217 1161 P C 0.463 177.880 177.300 0.194 0.000 1.148 1161 P CA 1.316 64.520 63.100 0.173 0.000 0.834 1161 P CB 0.105 31.855 31.700 0.084 0.000 0.783 1162 A N -0.816 122.049 122.820 0.075 0.000 2.136 1162 A HA -0.220 4.100 4.320 -0.000 0.000 0.274 1162 A C 1.010 178.678 177.584 0.140 0.000 1.388 1162 A CA 0.386 52.435 52.037 0.019 0.000 0.741 1162 A CB -1.568 17.382 19.000 -0.083 0.000 1.173 1162 A HN 0.133 nan 8.150 nan 0.000 0.329 1163 R N -0.396 120.210 120.500 0.176 0.000 2.328 1163 R HA 0.257 4.596 4.340 -0.000 0.000 0.206 1163 R C 0.225 176.727 176.300 0.336 0.000 0.990 1163 R CA 1.271 57.499 56.100 0.214 0.000 1.085 1163 R CB -1.119 29.275 30.300 0.156 0.000 0.998 1163 R HN 1.113 nan 8.270 nan 0.000 0.484 1164 F N -2.613 117.405 119.950 0.113 0.000 2.654 1164 F HA 0.525 5.052 4.527 -0.000 0.000 0.308 1164 F C -2.892 172.830 175.800 -0.129 0.000 1.108 1164 F CA -3.106 54.901 58.000 0.012 0.000 0.957 1164 F CB 1.749 40.665 39.000 -0.139 0.000 1.309 1164 F HN -0.291 nan 8.300 nan 0.000 0.446 1165 P HA 0.169 nan 4.420 nan 0.000 0.249 1165 P C -0.180 176.741 177.300 -0.633 0.000 1.737 1165 P CA 0.319 62.803 63.100 -1.027 0.000 1.128 1165 P CB 0.254 31.435 31.700 -0.866 0.000 1.942 1166 N N 2.047 120.320 118.700 -0.711 0.000 2.058 1166 N HA -0.157 4.583 4.740 -0.000 0.000 0.191 1166 N C 1.400 176.749 175.510 -0.268 0.000 1.037 1166 N CA 1.088 53.791 53.050 -0.578 0.000 0.848 1166 N CB -0.834 37.290 38.487 -0.606 0.000 1.021 1166 N HN 0.109 nan 8.380 nan 0.000 0.422 1167 L N 0.946 122.030 121.223 -0.231 0.000 1.978 1167 L HA -0.221 4.119 4.340 -0.000 0.000 0.235 1167 L C 2.137 178.941 176.870 -0.110 0.000 1.094 1167 L CA 1.837 56.594 54.840 -0.139 0.000 0.814 1167 L CB -0.908 41.083 42.059 -0.114 0.000 0.911 1167 L HN 0.293 nan 8.230 nan 0.000 0.442 1168 L N -0.970 120.167 121.223 -0.143 0.000 2.349 1168 L HA -0.199 4.141 4.340 -0.000 0.000 0.220 1168 L C 2.403 179.264 176.870 -0.014 0.000 1.130 1168 L CA 0.805 55.579 54.840 -0.111 0.000 0.791 1168 L CB -0.776 41.104 42.059 -0.299 0.000 0.918 1168 L HN 0.537 nan 8.230 nan 0.000 0.444 1169 A N 0.299 123.093 122.820 -0.044 0.000 1.823 1169 A HA -0.151 4.168 4.320 -0.000 0.000 0.214 1169 A C 2.049 179.670 177.584 0.062 0.000 1.225 1169 A CA 1.551 53.638 52.037 0.084 0.000 0.604 1169 A CB -0.504 18.603 19.000 0.179 0.000 0.878 1169 A HN 0.334 nan 8.150 nan 0.000 0.450 1170 N N -0.570 118.150 118.700 0.034 0.000 2.354 1170 N HA 0.214 4.954 4.740 -0.000 0.000 0.179 1170 N C 1.052 176.436 175.510 -0.210 0.000 1.021 1170 N CA 1.287 54.302 53.050 -0.059 0.000 0.887 1170 N CB 0.033 38.540 38.487 0.033 0.000 0.974 1170 N HN 0.800 nan 8.380 nan 0.000 0.437 1171 G N -0.399 108.326 108.800 -0.125 0.000 2.472 1171 G HA2 0.329 4.288 3.960 -0.000 0.000 0.205 1171 G HA3 0.329 4.288 3.960 -0.000 0.000 0.205 1171 G C -1.298 173.562 174.900 -0.067 0.000 1.270 1171 G CA -0.071 44.977 45.100 -0.087 0.000 0.974 1171 G HN 0.833 nan 8.290 nan 0.000 0.542 1172 A N -2.071 120.750 122.820 0.000 0.000 2.602 1172 A HA 0.880 5.200 4.320 -0.000 0.000 0.301 1172 A C -0.152 177.484 177.584 0.086 0.000 0.972 1172 A CA 0.892 52.942 52.037 0.021 0.000 0.704 1172 A CB 0.311 19.322 19.000 0.018 0.000 1.264 1172 A HN 2.824 nan 8.150 nan 0.000 0.410 1173 S N 0.505 116.255 115.700 0.084 0.000 2.333 1173 S HA 0.623 5.093 4.470 -0.000 0.000 0.208 1173 S C -0.131 174.504 174.600 0.059 0.000 0.911 1173 S CA 0.310 58.559 58.200 0.083 0.000 1.075 1173 S CB 0.167 63.433 63.200 0.110 0.000 1.293 1173 S HN 2.362 nan 8.310 nan 0.000 0.396 1174 G N 1.669 110.496 108.800 0.044 0.000 2.568 1174 G HA2 0.765 4.725 3.960 -0.000 0.000 0.313 1174 G HA3 0.765 4.725 3.960 -0.000 0.000 0.313 1174 G C -0.687 174.219 174.900 0.010 0.000 1.227 1174 G CA -1.207 43.910 45.100 0.028 0.000 0.979 1174 G HN 0.760 nan 8.290 nan 0.000 0.486 1175 I N 1.130 121.701 120.570 0.002 0.000 2.339 1175 I HA 0.530 4.699 4.170 -0.000 0.000 0.290 1175 I C 0.745 176.851 176.117 -0.018 0.000 0.994 1175 I CA -0.687 60.611 61.300 -0.004 0.000 1.191 1175 I CB 1.509 39.510 38.000 0.002 0.000 1.343 1175 I HN 0.593 nan 8.210 nan 0.000 0.458 1176 A N 6.266 129.072 122.820 -0.024 0.000 3.778 1176 A HA 0.784 5.104 4.320 -0.000 0.000 0.156 1176 A C -0.222 177.336 177.584 -0.044 0.000 1.681 1176 A CA -0.349 51.657 52.037 -0.052 0.000 1.240 1176 A CB 0.546 19.512 19.000 -0.057 0.000 1.750 1176 A HN 0.405 nan 8.150 nan 0.000 0.675 1177 V N -0.272 119.609 119.914 -0.055 0.000 2.376 1177 V HA 0.557 4.677 4.120 -0.000 0.000 0.287 1177 V C 0.974 177.088 176.094 0.032 0.000 1.015 1177 V CA 0.605 62.897 62.300 -0.013 0.000 0.834 1177 V CB 0.160 31.938 31.823 -0.075 0.000 1.001 1177 V HN 1.899 nan 8.190 nan 0.000 0.428 1178 G N 4.750 113.592 108.800 0.071 0.000 2.304 1178 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.252 1178 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.252 1178 G C 0.131 175.058 174.900 0.044 0.000 1.014 1178 G CA 0.765 45.913 45.100 0.079 0.000 0.619 1178 G HN 0.702 nan 8.290 nan 0.000 0.525 1179 M N -1.546 118.067 119.600 0.022 0.000 2.788 1179 M HA 0.887 5.367 4.480 -0.000 0.000 0.291 1179 M C -0.358 175.945 176.300 0.005 0.000 1.213 1179 M CA -0.603 54.703 55.300 0.011 0.000 0.768 1179 M CB 2.095 34.696 32.600 0.002 0.000 1.766 1179 M HN 1.474 nan 8.290 nan 0.000 0.460 1180 A N 0.545 123.367 122.820 0.004 0.000 2.560 1180 A HA 0.584 4.904 4.320 -0.000 0.000 0.300 1180 A C -1.092 176.497 177.584 0.008 0.000 1.062 1180 A CA -0.461 51.577 52.037 0.002 0.000 0.767 1180 A CB 1.480 20.480 19.000 0.000 0.000 1.288 1180 A HN 0.802 nan 8.150 nan 0.000 0.396 1181 T N 0.930 115.492 114.554 0.013 0.000 2.907 1181 T HA 0.631 4.981 4.350 -0.000 0.000 0.284 1181 T C -0.442 174.283 174.700 0.042 0.000 1.004 1181 T CA -0.245 61.873 62.100 0.030 0.000 1.063 1181 T CB 0.375 69.262 68.868 0.031 0.000 0.992 1181 T HN 0.897 nan 8.240 nan 0.000 0.483 1182 N N 3.396 122.139 118.700 0.071 0.000 2.478 1182 N HA 0.491 5.231 4.740 -0.000 0.000 0.291 1182 N C -1.742 173.913 175.510 0.242 0.000 1.090 1182 N CA -0.478 52.640 53.050 0.113 0.000 0.911 1182 N CB 0.858 39.338 38.487 -0.012 0.000 1.546 1182 N HN 0.572 nan 8.380 nan 0.000 0.500 1183 I N 3.527 124.282 120.570 0.309 0.000 2.607 1183 I HA 0.464 4.634 4.170 -0.000 0.000 0.290 1183 I C -2.270 173.991 176.117 0.240 0.000 1.129 1183 I CA -2.046 59.412 61.300 0.263 0.000 1.042 1183 I CB 2.707 40.788 38.000 0.135 0.000 1.242 1183 I HN 0.383 nan 8.210 nan 0.000 0.421 1184 P HA 0.399 nan 4.420 nan 0.000 0.289 1184 P C -2.735 174.379 177.300 -0.311 0.000 1.299 1184 P CA -1.502 61.393 63.100 -0.341 0.000 0.766 1184 P CB 0.047 31.413 31.700 -0.556 0.000 1.226 1185 P HA 0.483 nan 4.420 nan 0.000 0.292 1185 P C -1.196 175.716 177.300 -0.646 0.000 1.300 1185 P CA -0.351 62.459 63.100 -0.483 0.000 0.900 1185 P CB 1.137 32.484 31.700 -0.588 0.000 1.139 1186 H N -0.912 117.996 119.070 -0.270 0.000 2.864 1186 H HA 0.408 4.964 4.556 -0.000 0.000 0.354 1186 H C 0.032 175.301 175.328 -0.097 0.000 1.208 1186 H CA -0.753 55.173 56.048 -0.203 0.000 1.191 1186 H CB 1.099 30.771 29.762 -0.151 0.000 1.889 1186 H HN 0.304 nan 8.280 nan 0.000 0.574 1187 N N 1.723 120.469 118.700 0.077 0.000 2.444 1187 N HA -0.027 4.713 4.740 -0.000 0.000 0.271 1187 N C 0.798 176.407 175.510 0.164 0.000 1.069 1187 N CA -0.214 52.905 53.050 0.115 0.000 0.965 1187 N CB 1.103 39.621 38.487 0.052 0.000 1.092 1187 N HN 0.518 nan 8.380 nan 0.000 0.476 1188 L N 4.609 125.995 121.223 0.271 0.000 2.043 1188 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 1188 L C 2.035 178.919 176.870 0.023 0.000 1.075 1188 L CA 2.007 56.885 54.840 0.063 0.000 0.752 1188 L CB -0.998 40.926 42.059 -0.225 0.000 0.891 1188 L HN 0.669 nan 8.230 nan 0.000 0.432 1189 T N -0.444 114.137 114.554 0.046 0.000 2.622 1189 T HA -0.213 4.137 4.350 -0.000 0.000 0.266 1189 T C 1.665 176.372 174.700 0.012 0.000 1.047 1189 T CA 1.808 63.922 62.100 0.023 0.000 1.159 1189 T CB -0.233 68.653 68.868 0.031 0.000 0.863 1189 T HN 0.491 nan 8.240 nan 0.000 0.422 1190 E N 0.666 120.877 120.200 0.018 0.000 2.086 1190 E HA -0.171 4.179 4.350 -0.000 0.000 0.205 1190 E C 2.318 178.901 176.600 -0.029 0.000 1.027 1190 E CA 1.175 57.576 56.400 0.001 0.000 0.830 1190 E CB -0.401 29.308 29.700 0.016 0.000 0.751 1190 E HN 0.404 nan 8.360 nan 0.000 0.456 1191 L N 0.396 121.598 121.223 -0.035 0.000 2.012 1191 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 1191 L C 2.588 179.410 176.870 -0.081 0.000 1.073 1191 L CA 1.107 55.891 54.840 -0.093 0.000 0.748 1191 L CB -0.405 41.594 42.059 -0.100 0.000 0.891 1191 L HN 0.187 nan 8.230 nan 0.000 0.431 1192 I N -0.159 120.387 120.570 -0.041 0.000 2.179 1192 I HA -0.319 3.851 4.170 -0.000 0.000 0.242 1192 I C 2.325 178.435 176.117 -0.012 0.000 1.088 1192 I CA 1.164 62.455 61.300 -0.015 0.000 1.357 1192 I CB -0.413 37.593 38.000 0.009 0.000 1.051 1192 I HN 0.317 nan 8.210 nan 0.000 0.409 1193 N N 0.952 119.643 118.700 -0.014 0.000 2.137 1193 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 1193 N C 1.849 177.345 175.510 -0.023 0.000 1.017 1193 N CA 1.703 54.745 53.050 -0.013 0.000 0.859 1193 N CB -0.563 37.917 38.487 -0.011 0.000 1.002 1193 N HN 0.495 nan 8.380 nan 0.000 0.428 1194 G N 0.427 109.201 108.800 -0.043 0.000 2.408 1194 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 1194 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 1194 G C 1.812 176.685 174.900 -0.045 0.000 1.150 1194 G CA 0.453 45.517 45.100 -0.059 0.000 0.776 1194 G HN 0.181 nan 8.290 nan 0.000 0.542 1195 V N 0.990 120.885 119.914 -0.030 0.000 2.261 1195 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 1195 V C 2.962 179.064 176.094 0.015 0.000 1.047 1195 V CA 1.664 63.971 62.300 0.010 0.000 1.015 1195 V CB -0.442 31.419 31.823 0.064 0.000 0.642 1195 V HN 0.370 nan 8.190 nan 0.000 0.446 1196 L N -0.321 120.910 121.223 0.013 0.000 1.971 1196 L HA -0.233 4.107 4.340 -0.000 0.000 0.215 1196 L C 2.626 179.495 176.870 -0.002 0.000 1.072 1196 L CA 2.126 56.971 54.840 0.009 0.000 0.758 1196 L CB -0.995 41.069 42.059 0.008 0.000 0.889 1196 L HN 0.297 nan 8.230 nan 0.000 0.433 1197 S N 0.162 115.857 115.700 -0.009 0.000 2.370 1197 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 1197 S C 1.835 176.426 174.600 -0.017 0.000 1.033 1197 S CA 1.714 59.906 58.200 -0.013 0.000 1.011 1197 S CB -0.436 62.754 63.200 -0.017 0.000 0.852 1197 S HN 0.351 nan 8.310 nan 0.000 0.457 1198 L N 1.996 123.207 121.223 -0.021 0.000 2.217 1198 L HA 0.011 4.351 4.340 -0.000 0.000 0.211 1198 L C 2.221 179.080 176.870 -0.019 0.000 1.107 1198 L CA 1.768 56.593 54.840 -0.025 0.000 0.783 1198 L CB -0.716 41.322 42.059 -0.035 0.000 0.919 1198 L HN 0.365 nan 8.230 nan 0.000 0.442 1199 S N -0.761 114.933 115.700 -0.010 0.000 2.371 1199 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 1199 S C 1.960 176.553 174.600 -0.013 0.000 1.029 1199 S CA 0.967 59.162 58.200 -0.009 0.000 0.978 1199 S CB -0.426 62.774 63.200 0.000 0.000 0.833 1199 S HN 0.567 nan 8.310 nan 0.000 0.466 1200 K N 1.500 121.894 120.400 -0.011 0.000 1.991 1200 K HA -0.017 4.303 4.320 -0.000 0.000 0.212 1200 K C 0.896 177.488 176.600 -0.014 0.000 1.049 1200 K CA 1.372 57.653 56.287 -0.011 0.000 0.932 1200 K CB -0.333 32.162 32.500 -0.009 0.000 0.717 1200 K HN 0.369 nan 8.250 nan 0.000 0.441 1201 N N 0.946 119.636 118.700 -0.016 0.000 3.091 1201 N HA 0.131 4.871 4.740 -0.000 0.000 0.255 1201 N C -2.534 172.963 175.510 -0.021 0.000 1.204 1201 N CA -2.174 50.866 53.050 -0.017 0.000 0.990 1201 N CB 0.980 39.458 38.487 -0.015 0.000 1.260 1201 N HN -0.139 nan 8.380 nan 0.000 0.502 1202 P HA 0.094 nan 4.420 nan 0.000 0.251 1202 P C -0.350 176.934 177.300 -0.027 0.000 1.251 1202 P CA 0.695 63.778 63.100 -0.027 0.000 0.763 1202 P CB 0.294 31.978 31.700 -0.027 0.000 1.067 1203 D N -1.303 119.083 120.400 -0.023 0.000 2.599 1203 D HA 0.166 4.806 4.640 -0.000 0.000 0.249 1203 D C 0.144 176.433 176.300 -0.019 0.000 1.313 1203 D CA -0.407 53.581 54.000 -0.020 0.000 0.815 1203 D CB 0.040 40.831 40.800 -0.016 0.000 1.077 1203 D HN 0.179 nan 8.370 nan 0.000 0.492 1204 I N 2.002 122.559 120.570 -0.022 0.000 2.533 1204 I HA 0.011 4.181 4.170 -0.000 0.000 0.284 1204 I C 0.262 176.367 176.117 -0.020 0.000 1.109 1204 I CA -0.087 61.201 61.300 -0.020 0.000 1.412 1204 I CB 0.461 38.446 38.000 -0.025 0.000 1.396 1204 I HN -0.079 nan 8.210 nan 0.000 0.543 1205 S N 7.632 123.324 115.700 -0.014 0.000 2.549 1205 S HA 0.083 4.553 4.470 -0.000 0.000 0.283 1205 S C 1.534 176.128 174.600 -0.009 0.000 1.320 1205 S CA -0.850 57.345 58.200 -0.009 0.000 1.058 1205 S CB 1.179 64.377 63.200 -0.003 0.000 0.882 1205 S HN 0.605 nan 8.310 nan 0.000 0.498 1206 I N 2.117 122.684 120.570 -0.005 0.000 2.147 1206 I HA -0.308 3.861 4.170 -0.000 0.000 0.245 1206 I C 2.506 178.632 176.117 0.015 0.000 1.059 1206 I CA 2.145 63.446 61.300 0.002 0.000 1.320 1206 I CB -1.794 36.221 38.000 0.026 0.000 1.021 1206 I HN 0.904 nan 8.210 nan 0.000 0.415 1207 A N -0.971 121.863 122.820 0.022 0.000 2.167 1207 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 1207 A C 2.256 179.850 177.584 0.016 0.000 1.151 1207 A CA 0.906 52.961 52.037 0.029 0.000 0.735 1207 A CB -0.466 18.549 19.000 0.026 0.000 0.802 1207 A HN 0.520 nan 8.150 nan 0.000 0.467 1208 E N -0.334 119.868 120.200 0.004 0.000 2.230 1208 E HA 0.040 4.389 4.350 -0.000 0.000 0.192 1208 E C 1.525 178.119 176.600 -0.011 0.000 0.987 1208 E CA 0.220 56.618 56.400 -0.003 0.000 0.841 1208 E CB -0.059 29.636 29.700 -0.007 0.000 0.783 1208 E HN 0.621 nan 8.360 nan 0.000 0.481 1209 L N 0.279 121.490 121.223 -0.020 0.000 2.465 1209 L HA -0.021 4.319 4.340 -0.000 0.000 0.224 1209 L C 2.115 178.964 176.870 -0.035 0.000 1.145 1209 L CA 0.493 55.306 54.840 -0.044 0.000 0.834 1209 L CB 0.033 42.045 42.059 -0.079 0.000 0.944 1209 L HN 0.245 nan 8.230 nan 0.000 0.451 1210 M N -1.438 118.163 119.600 0.001 0.000 2.502 1210 M HA -0.036 4.444 4.480 -0.000 0.000 0.243 1210 M C 1.569 177.884 176.300 0.025 0.000 1.130 1210 M CA 0.503 55.822 55.300 0.032 0.000 1.055 1210 M CB 0.275 32.924 32.600 0.081 0.000 1.457 1210 M HN 0.123 nan 8.290 nan 0.000 0.488 1211 E N 0.511 120.717 120.200 0.010 0.000 2.268 1211 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 1211 E C 0.906 177.508 176.600 0.003 0.000 0.995 1211 E CA 0.753 57.157 56.400 0.007 0.000 0.836 1211 E CB 0.233 29.934 29.700 0.002 0.000 0.763 1211 E HN 0.495 nan 8.360 nan 0.000 0.491 1212 D N -0.311 120.086 120.400 -0.005 0.000 2.490 1212 D HA 0.087 4.727 4.640 -0.000 0.000 0.244 1212 D C 0.600 176.895 176.300 -0.008 0.000 0.979 1212 D CA 0.473 54.466 54.000 -0.011 0.000 0.924 1212 D CB 0.746 41.530 40.800 -0.026 0.000 1.075 1212 D HN 0.073 nan 8.370 nan 0.000 0.488 1213 I N 2.248 122.810 120.570 -0.014 0.000 2.412 1213 I HA 0.157 4.327 4.170 -0.000 0.000 0.279 1213 I C 0.685 176.851 176.117 0.080 0.000 1.063 1213 I CA -0.108 61.189 61.300 -0.005 0.000 1.193 1213 I CB 1.051 38.977 38.000 -0.124 0.000 1.370 1213 I HN -0.179 nan 8.210 nan 0.000 0.479 1214 E N 4.099 124.351 120.200 0.087 0.000 2.418 1214 E HA 0.198 4.548 4.350 -0.000 0.000 0.197 1214 E C 1.099 177.789 176.600 0.150 0.000 1.026 1214 E CA 0.139 56.597 56.400 0.097 0.000 0.862 1214 E CB 0.259 29.985 29.700 0.043 0.000 0.799 1214 E HN 0.864 nan 8.360 nan 0.000 0.518 1215 G N 0.867 109.804 108.800 0.230 0.000 2.325 1215 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.285 1215 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.285 1215 G C -3.003 171.862 174.900 -0.057 0.000 1.303 1215 G CA -1.172 44.077 45.100 0.247 0.000 0.970 1215 G HN -0.163 nan 8.290 nan 0.000 0.490 1216 P HA 0.458 nan 4.420 nan 0.000 0.275 1216 P C -0.850 175.957 177.300 -0.822 0.000 1.270 1216 P CA 0.204 62.644 63.100 -1.101 0.000 0.791 1216 P CB 0.665 31.645 31.700 -1.199 0.000 1.089 1217 D N -0.883 118.922 120.400 -0.993 0.000 2.312 1217 D HA 0.285 4.925 4.640 -0.000 0.000 0.229 1217 D C -1.539 174.341 176.300 -0.701 0.000 1.337 1217 D CA -0.278 53.333 54.000 -0.648 0.000 0.964 1217 D CB -0.179 40.415 40.800 -0.344 0.000 1.456 1217 D HN -0.016 nan 8.370 nan 0.000 0.547 1218 F N 3.476 123.208 119.950 -0.363 0.000 2.427 1218 F HA 0.321 4.848 4.527 -0.000 0.000 0.352 1218 F C -0.879 174.778 175.800 -0.238 0.000 1.100 1218 F CA -1.769 55.953 58.000 -0.464 0.000 1.191 1218 F CB 0.691 39.492 39.000 -0.332 0.000 1.128 1218 F HN 0.193 nan 8.300 nan 0.000 0.533 1219 P HA -0.232 nan 4.420 nan 0.000 0.217 1219 P C 1.386 178.774 177.300 0.147 0.000 1.148 1219 P CA 2.259 65.373 63.100 0.022 0.000 0.834 1219 P CB -0.392 31.358 31.700 0.084 0.000 0.783 1220 T N -3.803 110.916 114.554 0.274 0.000 2.962 1220 T HA 0.212 4.562 4.350 -0.000 0.000 0.270 1220 T C 1.249 176.043 174.700 0.157 0.000 1.088 1220 T CA 0.994 63.238 62.100 0.240 0.000 1.127 1220 T CB -0.626 68.418 68.868 0.294 0.000 0.883 1220 T HN 0.382 nan 8.240 nan 0.000 0.493 1221 A N 0.845 123.761 122.820 0.160 0.000 5.297 1221 A HA 0.304 4.623 4.320 -0.000 0.000 0.271 1221 A C 1.413 179.086 177.584 0.149 0.000 2.188 1221 A CA 0.794 52.903 52.037 0.120 0.000 0.715 1221 A CB -1.753 17.290 19.000 0.072 0.000 1.105 1221 A HN 2.342 nan 8.150 nan 0.000 0.341 1222 G N -3.173 105.683 108.800 0.094 0.000 2.466 1222 G HA2 0.432 4.392 3.960 -0.000 0.000 0.218 1222 G HA3 0.432 4.392 3.960 -0.000 0.000 0.218 1222 G C -0.701 174.240 174.900 0.068 0.000 1.237 1222 G CA 0.508 45.654 45.100 0.077 0.000 0.954 1222 G HN 2.182 nan 8.290 nan 0.000 0.580 1223 L N -0.209 121.048 121.223 0.057 0.000 2.479 1223 L HA 0.820 5.160 4.340 -0.000 0.000 0.255 1223 L C 0.186 177.082 176.870 0.043 0.000 1.026 1223 L CA -0.720 54.144 54.840 0.039 0.000 0.842 1223 L CB 1.900 43.962 42.059 0.004 0.000 1.444 1223 L HN 0.765 nan 8.230 nan 0.000 0.409 1224 I N 1.664 122.253 120.570 0.033 0.000 2.740 1224 I HA 0.431 4.601 4.170 -0.000 0.000 0.303 1224 I C -0.777 175.333 176.117 -0.012 0.000 1.044 1224 I CA -0.694 60.623 61.300 0.028 0.000 1.064 1224 I CB 2.220 40.248 38.000 0.045 0.000 1.249 1224 I HN 0.298 nan 8.210 nan 0.000 0.433 1225 L N 4.317 125.527 121.223 -0.022 0.000 2.504 1225 L HA 0.566 4.905 4.340 -0.000 0.000 0.249 1225 L C 0.117 176.970 176.870 -0.029 0.000 1.120 1225 L CA -0.274 54.543 54.840 -0.039 0.000 0.997 1225 L CB 0.516 42.536 42.059 -0.064 0.000 1.349 1225 L HN 0.944 nan 8.230 nan 0.000 0.439 1226 G N 1.071 109.856 108.800 -0.025 0.000 2.640 1226 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 1226 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 1226 G C -0.183 174.701 174.900 -0.027 0.000 1.229 1226 G CA -0.680 44.406 45.100 -0.023 0.000 0.796 1226 G HN 0.470 nan 8.290 nan 0.000 0.654 1227 K N 0.045 120.430 120.400 -0.025 0.000 2.186 1227 K HA 0.060 4.380 4.320 -0.000 0.000 0.202 1227 K C 2.826 179.400 176.600 -0.042 0.000 1.052 1227 K CA 1.494 57.763 56.287 -0.031 0.000 0.965 1227 K CB -0.089 32.401 32.500 -0.017 0.000 0.746 1227 K HN 0.672 nan 8.250 nan 0.000 0.457 1228 S N -0.201 115.481 115.700 -0.031 0.000 2.469 1228 S HA -0.068 4.401 4.470 -0.000 0.000 0.238 1228 S C 1.952 176.523 174.600 -0.047 0.000 0.998 1228 S CA 0.838 59.018 58.200 -0.033 0.000 0.957 1228 S CB -0.424 62.764 63.200 -0.019 0.000 0.764 1228 S HN 0.374 nan 8.310 nan 0.000 0.514 1229 G N 2.579 111.350 108.800 -0.049 0.000 2.505 1229 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.214 1229 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.214 1229 G C 1.236 176.074 174.900 -0.103 0.000 1.237 1229 G CA 0.943 46.013 45.100 -0.050 0.000 0.802 1229 G HN 0.504 nan 8.290 nan 0.000 0.549 1230 I N 0.751 121.229 120.570 -0.152 0.000 2.145 1230 I HA -0.215 3.955 4.170 -0.000 0.000 0.244 1230 I C 2.714 178.575 176.117 -0.428 0.000 1.075 1230 I CA 1.710 62.810 61.300 -0.333 0.000 1.332 1230 I CB -0.425 37.409 38.000 -0.277 0.000 1.033 1230 I HN 0.113 nan 8.210 nan 0.000 0.410 1231 R N 1.145 121.514 120.500 -0.218 0.000 2.097 1231 R HA -0.221 4.119 4.340 -0.000 0.000 0.236 1231 R C 2.453 178.694 176.300 -0.097 0.000 1.135 1231 R CA 2.179 58.199 56.100 -0.133 0.000 0.934 1231 R CB -0.275 29.996 30.300 -0.049 0.000 0.846 1231 R HN 0.462 nan 8.270 nan 0.000 0.431 1232 R N -0.269 120.189 120.500 -0.070 0.000 2.316 1232 R HA 0.114 4.454 4.340 -0.000 0.000 0.202 1232 R C 1.842 178.130 176.300 -0.020 0.000 1.029 1232 R CA 0.926 57.011 56.100 -0.024 0.000 1.018 1232 R CB -0.170 30.124 30.300 -0.010 0.000 0.888 1232 R HN 0.189 nan 8.270 nan 0.000 0.471 1233 A N 1.398 124.162 122.820 -0.093 0.000 1.855 1233 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 1233 A C 1.151 178.785 177.584 0.084 0.000 1.191 1233 A CA 0.767 52.771 52.037 -0.056 0.000 0.613 1233 A CB -0.623 18.266 19.000 -0.186 0.000 0.829 1233 A HN 0.399 nan 8.150 nan 0.000 0.442 1234 Y N 0.889 121.208 120.300 0.033 0.000 2.619 1234 Y HA 0.055 4.605 4.550 -0.000 0.000 0.308 1234 Y C 1.974 177.879 175.900 0.008 0.000 1.192 1234 Y CA 0.273 58.382 58.100 0.015 0.000 1.319 1234 Y CB -0.399 38.063 38.460 0.003 0.000 1.030 1234 Y HN 0.473 nan 8.280 nan 0.000 0.517 1235 E N -1.309 118.976 120.200 0.141 0.000 2.288 1235 E HA -0.017 4.332 4.350 -0.000 0.000 0.200 1235 E C 1.747 178.386 176.600 0.065 0.000 0.880 1235 E CA 1.282 57.734 56.400 0.087 0.000 0.971 1235 E CB -0.154 29.582 29.700 0.059 0.000 0.954 1235 E HN 0.340 nan 8.360 nan 0.000 0.489 1236 T N -2.058 112.531 114.554 0.059 0.000 3.054 1236 T HA 0.309 4.659 4.350 -0.000 0.000 0.255 1236 T C 1.330 176.063 174.700 0.056 0.000 1.035 1236 T CA 1.064 63.192 62.100 0.048 0.000 0.941 1236 T CB 0.629 69.518 68.868 0.035 0.000 1.026 1236 T HN 0.304 nan 8.240 nan 0.000 0.533 1237 G N 1.604 110.449 108.800 0.076 0.000 2.234 1237 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.235 1237 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.235 1237 G C 0.043 174.997 174.900 0.090 0.000 0.997 1237 G CA -0.112 45.039 45.100 0.085 0.000 0.623 1237 G HN 0.759 nan 8.290 nan 0.000 0.514 1238 R N -0.274 120.269 120.500 0.071 0.000 2.621 1238 R HA 0.675 5.015 4.340 -0.000 0.000 0.284 1238 R C 0.009 176.337 176.300 0.046 0.000 0.998 1238 R CA -0.175 55.963 56.100 0.063 0.000 0.895 1238 R CB 2.210 32.539 30.300 0.048 0.000 1.195 1238 R HN 0.894 nan 8.270 nan 0.000 0.450 1239 G N -0.252 108.578 108.800 0.050 0.000 2.559 1239 G HA2 0.383 4.342 3.960 -0.000 0.000 0.291 1239 G HA3 0.383 4.342 3.960 -0.000 0.000 0.291 1239 G C -1.635 173.296 174.900 0.051 0.000 1.424 1239 G CA -0.553 44.564 45.100 0.029 0.000 0.786 1239 G HN 0.339 nan 8.290 nan 0.000 0.485 1240 S N -0.258 115.464 115.700 0.036 0.000 2.474 1240 S HA 0.663 5.133 4.470 -0.000 0.000 0.321 1240 S C -0.350 174.286 174.600 0.060 0.000 1.080 1240 S CA -0.639 57.594 58.200 0.056 0.000 1.106 1240 S CB 0.079 63.298 63.200 0.032 0.000 0.984 1240 S HN 0.437 nan 8.310 nan 0.000 0.464 1241 I N 4.684 125.325 120.570 0.118 0.000 2.339 1241 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 1241 I C -0.188 175.996 176.117 0.112 0.000 0.994 1241 I CA -0.778 60.583 61.300 0.102 0.000 1.191 1241 I CB 1.647 39.708 38.000 0.103 0.000 1.343 1241 I HN 0.450 nan 8.210 nan 0.000 0.458 1242 Q N 7.824 127.656 119.800 0.054 0.000 2.369 1242 Q HA 0.329 4.669 4.340 -0.000 0.000 0.247 1242 Q C -0.546 175.467 176.000 0.022 0.000 1.083 1242 Q CA 0.198 56.018 55.803 0.028 0.000 0.905 1242 Q CB 0.890 29.624 28.738 -0.008 0.000 1.305 1242 Q HN 0.564 nan 8.270 nan 0.000 0.465 1243 M N 2.738 122.349 119.600 0.018 0.000 2.077 1243 M HA 0.327 4.807 4.480 -0.000 0.000 0.348 1243 M C 0.465 176.741 176.300 -0.039 0.000 1.252 1243 M CA -0.042 55.242 55.300 -0.027 0.000 1.096 1243 M CB 1.108 33.634 32.600 -0.124 0.000 1.568 1243 M HN 0.335 nan 8.290 nan 0.000 0.456 1244 R N 1.227 121.697 120.500 -0.049 0.000 2.740 1244 R HA 0.686 5.026 4.340 -0.000 0.000 0.223 1244 R C -0.559 175.747 176.300 0.010 0.000 1.362 1244 R CA -0.475 55.584 56.100 -0.068 0.000 1.069 1244 R CB 1.484 31.659 30.300 -0.208 0.000 1.739 1244 R HN 0.672 nan 8.270 nan 0.000 0.533 1245 S N -0.889 114.864 115.700 0.090 0.000 2.709 1245 S HA 0.427 4.897 4.470 -0.000 0.000 0.302 1245 S C -1.077 173.597 174.600 0.123 0.000 1.127 1245 S CA -0.761 57.505 58.200 0.110 0.000 0.905 1245 S CB 1.562 64.843 63.200 0.134 0.000 1.151 1245 S HN 0.464 nan 8.310 nan 0.000 0.510 1246 R N 1.412 121.967 120.500 0.091 0.000 2.666 1246 R HA 0.538 4.878 4.340 -0.000 0.000 0.275 1246 R C -0.619 175.728 176.300 0.078 0.000 1.266 1246 R CA -0.284 55.866 56.100 0.083 0.000 1.401 1246 R CB -0.111 30.221 30.300 0.054 0.000 1.145 1246 R HN 0.659 nan 8.270 nan 0.000 0.581 1247 A N 2.903 125.787 122.820 0.107 0.000 2.327 1247 A HA 0.468 4.788 4.320 -0.000 0.000 0.283 1247 A C -0.045 177.573 177.584 0.058 0.000 1.127 1247 A CA -0.604 51.467 52.037 0.057 0.000 0.810 1247 A CB 0.983 19.991 19.000 0.014 0.000 1.066 1247 A HN 0.482 nan 8.150 nan 0.000 0.492 1248 V N 0.887 120.819 119.914 0.030 0.000 2.667 1248 V HA 0.712 4.831 4.120 -0.000 0.000 0.308 1248 V C -0.124 175.977 176.094 0.012 0.000 1.048 1248 V CA -0.826 61.490 62.300 0.026 0.000 0.928 1248 V CB 1.148 32.983 31.823 0.020 0.000 1.004 1248 V HN 0.690 nan 8.190 nan 0.000 0.444 1249 I N 3.722 124.300 120.570 0.013 0.000 2.499 1249 I HA 0.670 4.840 4.170 -0.000 0.000 0.296 1249 I C 0.292 176.411 176.117 0.003 0.000 0.992 1249 I CA -0.113 61.189 61.300 0.003 0.000 1.297 1249 I CB 1.538 39.540 38.000 0.004 0.000 1.410 1249 I HN 1.077 nan 8.210 nan 0.000 0.507 1250 E N 4.166 124.365 120.200 -0.001 0.000 2.415 1250 E HA 0.312 4.661 4.350 -0.000 0.000 0.271 1250 E C -1.728 174.871 176.600 -0.003 0.000 1.094 1250 E CA -1.073 55.327 56.400 -0.000 0.000 0.881 1250 E CB 1.027 30.728 29.700 0.001 0.000 1.581 1250 E HN 0.547 nan 8.360 nan 0.000 0.460 1251 E N 0.819 121.018 120.200 -0.002 0.000 2.249 1251 E HA 0.294 4.644 4.350 -0.000 0.000 0.280 1251 E C 0.196 176.794 176.600 -0.004 0.000 1.016 1251 E CA -0.664 55.734 56.400 -0.003 0.000 0.830 1251 E CB 1.969 31.669 29.700 -0.001 0.000 1.081 1251 E HN 0.691 nan 8.360 nan 0.000 0.395 1252 R N 2.245 122.742 120.500 -0.005 0.000 2.225 1252 R HA 0.327 4.667 4.340 -0.000 0.000 0.194 1252 R C 0.393 176.690 176.300 -0.004 0.000 0.957 1252 R CA 0.350 56.447 56.100 -0.005 0.000 1.042 1252 R CB 0.355 30.651 30.300 -0.007 0.000 1.004 1252 R HN 0.666 nan 8.270 nan 0.000 0.509 1253 G N -0.839 107.958 108.800 -0.004 0.000 2.931 1253 G HA2 0.345 4.305 3.960 -0.000 0.000 0.675 1253 G HA3 0.345 4.305 3.960 -0.000 0.000 0.675 1253 G C 0.242 175.140 174.900 -0.004 0.000 1.339 1253 G CA -0.456 44.642 45.100 -0.003 0.000 0.866 1253 G HN 0.935 nan 8.290 nan 0.000 0.616 1254 G N -0.298 108.500 108.800 -0.003 0.000 2.164 1254 G HA2 0.453 4.413 3.960 -0.000 0.000 0.212 1254 G HA3 0.453 4.413 3.960 -0.000 0.000 0.212 1254 G C 2.018 176.917 174.900 -0.003 0.000 1.031 1254 G CA 1.007 46.105 45.100 -0.003 0.000 0.730 1254 G HN 3.038 nan 8.290 nan 0.000 0.501 1255 G N -1.285 107.514 108.800 -0.003 0.000 2.196 1255 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.268 1255 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.268 1255 G C 0.499 175.397 174.900 -0.004 0.000 0.975 1255 G CA 1.246 46.345 45.100 -0.003 0.000 0.648 1255 G HN 1.055 nan 8.290 nan 0.000 0.538 1256 R N 0.022 120.519 120.500 -0.005 0.000 2.428 1256 R HA 0.622 4.962 4.340 -0.000 0.000 0.294 1256 R C 0.395 176.691 176.300 -0.007 0.000 1.000 1256 R CA -0.462 55.634 56.100 -0.006 0.000 0.960 1256 R CB 1.105 31.401 30.300 -0.007 0.000 1.076 1256 R HN 0.415 nan 8.270 nan 0.000 0.475 1257 Q N 1.348 121.143 119.800 -0.009 0.000 2.699 1257 Q HA 0.542 4.881 4.340 -0.000 0.000 0.240 1257 Q C -0.741 175.251 176.000 -0.013 0.000 1.033 1257 Q CA -1.008 54.789 55.803 -0.010 0.000 0.938 1257 Q CB 2.078 30.810 28.738 -0.010 0.000 1.312 1257 Q HN 0.578 nan 8.270 nan 0.000 0.507 1258 R N -0.529 119.962 120.500 -0.014 0.000 2.633 1258 R HA 0.420 4.760 4.340 -0.000 0.000 0.255 1258 R C -1.622 174.665 176.300 -0.021 0.000 1.106 1258 R CA -0.544 55.545 56.100 -0.018 0.000 0.959 1258 R CB 0.289 30.581 30.300 -0.015 0.000 1.259 1258 R HN 0.466 nan 8.270 nan 0.000 0.453 1259 I N 2.414 122.966 120.570 -0.031 0.000 2.488 1259 I HA 0.560 4.730 4.170 -0.000 0.000 0.299 1259 I C -0.373 175.724 176.117 -0.033 0.000 0.984 1259 I CA -1.512 59.765 61.300 -0.038 0.000 1.250 1259 I CB 1.914 39.875 38.000 -0.066 0.000 1.389 1259 I HN 0.320 nan 8.210 nan 0.000 0.488 1260 V N 5.860 125.759 119.914 -0.025 0.000 2.623 1260 V HA 0.308 4.428 4.120 -0.000 0.000 0.304 1260 V C -0.381 175.706 176.094 -0.010 0.000 1.054 1260 V CA -0.575 61.715 62.300 -0.017 0.000 0.882 1260 V CB 2.542 34.360 31.823 -0.008 0.000 1.002 1260 V HN 0.439 nan 8.190 nan 0.000 0.424 1261 V N 4.197 124.104 119.914 -0.013 0.000 2.347 1261 V HA 0.377 4.497 4.120 -0.000 0.000 0.280 1261 V C 0.944 177.041 176.094 0.005 0.000 1.021 1261 V CA 0.210 62.510 62.300 -0.001 0.000 0.847 1261 V CB 1.395 33.211 31.823 -0.012 0.000 0.990 1261 V HN 1.006 nan 8.190 nan 0.000 0.444 1262 T N 1.220 115.783 114.554 0.017 0.000 3.129 1262 T HA 0.389 4.739 4.350 -0.000 0.000 0.267 1262 T C 0.157 174.870 174.700 0.021 0.000 1.018 1262 T CA -0.016 62.093 62.100 0.015 0.000 0.903 1262 T CB -0.097 68.781 68.868 0.016 0.000 1.067 1262 T HN 0.690 nan 8.240 nan 0.000 0.549 1263 E N 0.996 121.212 120.200 0.027 0.000 2.451 1263 E HA 0.426 4.776 4.350 -0.000 0.000 0.295 1263 E C -1.028 175.592 176.600 0.034 0.000 0.966 1263 E CA -0.785 55.636 56.400 0.034 0.000 0.808 1263 E CB 2.199 31.926 29.700 0.045 0.000 1.242 1263 E HN 0.562 nan 8.360 nan 0.000 0.412 1264 I N -1.655 118.929 120.570 0.024 0.000 2.863 1264 I HA 0.716 4.886 4.170 -0.000 0.000 0.311 1264 I C -2.605 173.510 176.117 -0.003 0.000 1.026 1264 I CA -2.989 58.317 61.300 0.010 0.000 1.077 1264 I CB 1.615 39.607 38.000 -0.015 0.000 1.262 1264 I HN 0.174 nan 8.210 nan 0.000 0.461 1265 P HA 0.040 nan 4.420 nan 0.000 0.265 1265 P C -0.633 176.593 177.300 -0.122 0.000 1.193 1265 P CA 0.151 63.189 63.100 -0.104 0.000 0.765 1265 P CB 0.133 31.782 31.700 -0.084 0.000 0.823 1266 F N 3.523 123.212 119.950 -0.435 0.000 2.629 1266 F HA -0.072 4.455 4.527 -0.000 0.000 0.369 1266 F C 1.667 177.389 175.800 -0.129 0.000 1.125 1266 F CA 1.079 58.892 58.000 -0.312 0.000 1.330 1266 F CB 0.074 38.711 39.000 -0.605 0.000 1.071 1266 F HN 0.584 nan 8.300 nan 0.000 0.595 1267 Q N 0.930 120.124 119.800 -1.011 0.000 2.347 1267 Q HA -0.197 4.143 4.340 -0.000 0.000 0.159 1267 Q C -0.414 175.410 176.000 -0.294 0.000 0.568 1267 Q CA 0.917 56.301 55.803 -0.698 0.000 1.340 1267 Q CB -1.131 27.299 28.738 -0.513 0.000 1.236 1267 Q HN 0.457 nan 8.270 nan 0.000 0.988 1268 V N 2.262 122.048 119.914 -0.213 0.000 2.614 1268 V HA 0.126 4.246 4.120 -0.000 0.000 0.291 1268 V C 0.436 176.466 176.094 -0.108 0.000 1.049 1268 V CA 0.101 62.327 62.300 -0.122 0.000 1.038 1268 V CB 1.314 33.086 31.823 -0.085 0.000 0.980 1268 V HN 0.216 nan 8.190 nan 0.000 0.481 1269 N N 4.200 122.850 118.700 -0.084 0.000 2.420 1269 N HA 0.123 4.863 4.740 -0.000 0.000 0.249 1269 N C 0.871 176.337 175.510 -0.074 0.000 1.033 1269 N CA -0.117 52.887 53.050 -0.077 0.000 0.944 1269 N CB 0.992 39.447 38.487 -0.054 0.000 1.113 1269 N HN 0.695 nan 8.380 nan 0.000 0.502 1270 K N 3.547 123.891 120.400 -0.093 0.000 2.113 1270 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 1270 K C 1.471 178.035 176.600 -0.061 0.000 1.047 1270 K CA 1.664 57.904 56.287 -0.078 0.000 0.928 1270 K CB -0.036 32.407 32.500 -0.096 0.000 0.716 1270 K HN 0.597 nan 8.250 nan 0.000 0.446 1271 A N 1.369 124.153 122.820 -0.060 0.000 1.835 1271 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 1271 A C 2.147 179.709 177.584 -0.037 0.000 1.199 1271 A CA 1.667 53.677 52.037 -0.045 0.000 0.615 1271 A CB -0.690 18.285 19.000 -0.041 0.000 0.838 1271 A HN 0.408 nan 8.150 nan 0.000 0.444 1272 R N -1.050 119.429 120.500 -0.035 0.000 2.293 1272 R HA -0.018 4.322 4.340 -0.000 0.000 0.219 1272 R C 1.971 178.253 176.300 -0.030 0.000 1.091 1272 R CA 1.161 57.243 56.100 -0.029 0.000 1.004 1272 R CB -0.255 30.029 30.300 -0.027 0.000 0.865 1272 R HN 0.657 nan 8.270 nan 0.000 0.469 1273 M N -0.068 119.512 119.600 -0.034 0.000 2.248 1273 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 1273 M C 1.691 177.972 176.300 -0.031 0.000 1.079 1273 M CA 1.406 56.687 55.300 -0.032 0.000 1.150 1273 M CB 0.149 32.728 32.600 -0.035 0.000 1.366 1273 M HN 0.132 nan 8.290 nan 0.000 0.433 1274 I N -0.376 120.174 120.570 -0.033 0.000 2.233 1274 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 1274 I C 2.311 178.412 176.117 -0.027 0.000 1.093 1274 I CA 1.054 62.335 61.300 -0.031 0.000 1.380 1274 I CB -0.723 37.258 38.000 -0.032 0.000 1.067 1274 I HN 0.254 nan 8.210 nan 0.000 0.413 1275 E N 2.233 122.418 120.200 -0.025 0.000 2.049 1275 E HA -0.229 4.120 4.350 -0.000 0.000 0.198 1275 E C 1.803 178.391 176.600 -0.020 0.000 1.007 1275 E CA 1.668 58.055 56.400 -0.021 0.000 0.809 1275 E CB -0.226 29.463 29.700 -0.019 0.000 0.749 1275 E HN 0.213 nan 8.360 nan 0.000 0.450 1276 K N 0.037 120.425 120.400 -0.021 0.000 2.665 1276 K HA -0.009 4.311 4.320 -0.000 0.000 0.196 1276 K C 1.344 177.931 176.600 -0.021 0.000 1.021 1276 K CA 0.297 56.572 56.287 -0.019 0.000 1.066 1276 K CB -0.095 32.395 32.500 -0.018 0.000 0.849 1276 K HN 0.351 nan 8.250 nan 0.000 0.500 1277 I N -0.751 119.805 120.570 -0.024 0.000 3.039 1277 I HA -0.073 4.096 4.170 -0.000 0.000 0.270 1277 I C 2.231 178.333 176.117 -0.024 0.000 1.150 1277 I CA 0.275 61.559 61.300 -0.027 0.000 1.448 1277 I CB -0.135 37.845 38.000 -0.034 0.000 1.197 1277 I HN 0.029 nan 8.210 nan 0.000 0.450 1278 A N 0.721 123.528 122.820 -0.022 0.000 1.892 1278 A HA -0.297 4.022 4.320 -0.000 0.000 0.218 1278 A C 2.144 179.719 177.584 -0.016 0.000 1.188 1278 A CA 2.007 54.033 52.037 -0.019 0.000 0.631 1278 A CB -0.791 18.199 19.000 -0.017 0.000 0.822 1278 A HN 0.470 nan 8.150 nan 0.000 0.447 1279 E N -0.583 119.608 120.200 -0.015 0.000 2.448 1279 E HA -0.149 4.201 4.350 -0.000 0.000 0.203 1279 E C 1.148 177.740 176.600 -0.012 0.000 1.046 1279 E CA 0.929 57.322 56.400 -0.013 0.000 0.871 1279 E CB -0.149 29.543 29.700 -0.012 0.000 0.790 1279 E HN 0.727 nan 8.360 nan 0.000 0.545 1280 L N -1.738 119.476 121.223 -0.014 0.000 2.749 1280 L HA 0.096 4.436 4.340 -0.000 0.000 0.242 1280 L C 1.894 178.755 176.870 -0.014 0.000 1.103 1280 L CA -0.119 54.713 54.840 -0.014 0.000 0.906 1280 L CB 0.415 42.465 42.059 -0.016 0.000 1.228 1280 L HN -0.058 nan 8.230 nan 0.000 0.517 1281 V N 0.883 120.788 119.914 -0.016 0.000 2.331 1281 V HA -0.134 3.985 4.120 -0.000 0.000 0.242 1281 V C 2.696 178.783 176.094 -0.012 0.000 1.034 1281 V CA 1.784 64.075 62.300 -0.015 0.000 1.027 1281 V CB -0.284 31.529 31.823 -0.017 0.000 0.667 1281 V HN 0.457 nan 8.190 nan 0.000 0.457 1282 R N 0.678 121.171 120.500 -0.012 0.000 2.096 1282 R HA -0.224 4.116 4.340 -0.000 0.000 0.240 1282 R C 1.257 177.551 176.300 -0.008 0.000 1.139 1282 R CA 2.416 58.511 56.100 -0.010 0.000 0.952 1282 R CB -0.493 29.801 30.300 -0.010 0.000 0.854 1282 R HN 0.413 nan 8.270 nan 0.000 0.436 1283 D N 0.925 121.319 120.400 -0.009 0.000 2.323 1283 D HA 0.033 4.673 4.640 -0.000 0.000 0.239 1283 D C -0.261 176.034 176.300 -0.007 0.000 1.129 1283 D CA 0.310 54.306 54.000 -0.007 0.000 0.865 1283 D CB 0.015 40.811 40.800 -0.007 0.000 0.913 1283 D HN 0.249 nan 8.370 nan 0.000 0.517 1284 K N 0.189 120.584 120.400 -0.008 0.000 3.356 1284 K HA -0.253 4.066 4.320 -0.000 0.000 0.270 1284 K C 0.452 177.048 176.600 -0.007 0.000 0.901 1284 K CA 0.506 56.788 56.287 -0.008 0.000 0.688 1284 K CB -0.879 31.617 32.500 -0.007 0.000 1.460 1284 K HN 0.254 nan 8.250 nan 0.000 0.458 1285 K N 0.104 120.499 120.400 -0.008 0.000 2.387 1285 K HA 0.294 4.614 4.320 -0.000 0.000 0.203 1285 K C 0.034 176.628 176.600 -0.010 0.000 1.030 1285 K CA -0.018 56.264 56.287 -0.008 0.000 1.099 1285 K CB 0.629 33.125 32.500 -0.007 0.000 0.863 1285 K HN 0.276 nan 8.250 nan 0.000 0.529 1286 I N 2.309 122.872 120.570 -0.012 0.000 2.690 1286 I HA 0.048 4.218 4.170 -0.000 0.000 0.286 1286 I C -1.906 174.201 176.117 -0.016 0.000 1.313 1286 I CA -0.759 60.531 61.300 -0.016 0.000 1.070 1286 I CB 1.391 39.379 38.000 -0.021 0.000 1.323 1286 I HN 0.052 nan 8.210 nan 0.000 0.432 1287 D N 5.506 125.897 120.400 -0.015 0.000 2.229 1287 D HA 0.537 5.177 4.640 -0.000 0.000 0.249 1287 D C 0.786 177.077 176.300 -0.016 0.000 1.027 1287 D CA 0.278 54.270 54.000 -0.014 0.000 0.923 1287 D CB 1.944 42.738 40.800 -0.011 0.000 1.174 1287 D HN 0.882 nan 8.370 nan 0.000 0.443 1288 G N 0.926 109.717 108.800 -0.015 0.000 2.143 1288 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.249 1288 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.249 1288 G C 0.151 175.039 174.900 -0.019 0.000 0.981 1288 G CA 0.121 45.212 45.100 -0.016 0.000 0.665 1288 G HN 0.583 nan 8.290 nan 0.000 0.528 1289 I N 2.422 122.980 120.570 -0.020 0.000 2.306 1289 I HA 0.339 4.509 4.170 -0.000 0.000 0.288 1289 I C 0.826 176.931 176.117 -0.019 0.000 1.036 1289 I CA 0.299 61.586 61.300 -0.023 0.000 1.221 1289 I CB 1.220 39.204 38.000 -0.027 0.000 1.385 1289 I HN 0.212 nan 8.210 nan 0.000 0.472 1290 T N 0.684 115.227 114.554 -0.018 0.000 3.377 1290 T HA 0.447 4.797 4.350 -0.000 0.000 0.270 1290 T C -0.488 174.202 174.700 -0.016 0.000 1.586 1290 T CA -0.603 61.487 62.100 -0.016 0.000 1.487 1290 T CB -0.056 68.804 68.868 -0.013 0.000 0.994 1290 T HN 0.635 nan 8.240 nan 0.000 0.689 1291 D N 0.284 120.673 120.400 -0.017 0.000 10.755 1291 D HA 0.021 4.661 4.640 -0.000 0.000 0.295 1291 D C -1.622 174.666 176.300 -0.021 0.000 3.126 1291 D CA -0.367 53.622 54.000 -0.017 0.000 2.906 1291 D CB -0.441 40.350 40.800 -0.015 0.000 1.223 1291 D HN 0.717 nan 8.370 nan 0.000 0.938 1292 L N 2.664 123.875 121.223 -0.021 0.000 2.673 1292 L HA 0.527 4.867 4.340 -0.000 0.000 0.255 1292 L C -1.318 175.539 176.870 -0.022 0.000 1.015 1292 L CA -0.200 54.626 54.840 -0.024 0.000 0.930 1292 L CB 0.886 42.929 42.059 -0.027 0.000 1.185 1292 L HN 0.421 nan 8.230 nan 0.000 0.457 1293 R N 1.479 121.966 120.500 -0.021 0.000 2.598 1293 R HA 0.623 4.963 4.340 -0.000 0.000 0.279 1293 R C -0.945 175.342 176.300 -0.022 0.000 0.984 1293 R CA -0.835 55.253 56.100 -0.020 0.000 0.999 1293 R CB 1.271 31.561 30.300 -0.017 0.000 1.114 1293 R HN 0.576 nan 8.270 nan 0.000 0.493 1294 D N 0.971 121.357 120.400 -0.023 0.000 2.329 1294 D HA 0.064 4.704 4.640 -0.000 0.000 0.232 1294 D C -0.540 175.747 176.300 -0.022 0.000 1.088 1294 D CA -0.403 53.582 54.000 -0.025 0.000 0.835 1294 D CB 0.960 41.742 40.800 -0.030 0.000 1.078 1294 D HN 0.502 nan 8.370 nan 0.000 0.495 1295 E N 2.466 122.654 120.200 -0.020 0.000 2.511 1295 E HA 0.132 4.482 4.350 -0.000 0.000 0.214 1295 E C -0.380 176.211 176.600 -0.015 0.000 1.062 1295 E CA -0.352 56.038 56.400 -0.016 0.000 1.213 1295 E CB 0.479 30.172 29.700 -0.013 0.000 1.214 1295 E HN 0.343 nan 8.360 nan 0.000 0.441 1296 T N 1.605 116.147 114.554 -0.020 0.000 2.738 1296 T HA 0.174 4.524 4.350 -0.000 0.000 0.293 1296 T C 0.235 174.925 174.700 -0.016 0.000 0.913 1296 T CA -0.130 61.957 62.100 -0.021 0.000 1.103 1296 T CB 0.631 69.479 68.868 -0.033 0.000 0.880 1296 T HN 0.062 nan 8.240 nan 0.000 0.526 1297 S N 2.866 118.561 115.700 -0.009 0.000 2.801 1297 S HA 0.513 4.983 4.470 -0.000 0.000 0.312 1297 S C 1.434 176.035 174.600 0.002 0.000 1.112 1297 S CA -1.105 57.093 58.200 -0.003 0.000 0.943 1297 S CB 0.868 64.067 63.200 -0.001 0.000 1.269 1297 S HN 0.461 nan 8.310 nan 0.000 0.558 1298 L N 0.427 121.655 121.223 0.008 0.000 2.217 1298 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 1298 L C 3.214 180.093 176.870 0.015 0.000 1.107 1298 L CA 1.471 56.320 54.840 0.015 0.000 0.783 1298 L CB -1.148 40.923 42.059 0.020 0.000 0.919 1298 L HN 0.859 nan 8.230 nan 0.000 0.442 1299 R N 0.464 120.970 120.500 0.011 0.000 2.062 1299 R HA -0.088 4.252 4.340 -0.000 0.000 0.226 1299 R C 2.153 178.459 176.300 0.010 0.000 1.125 1299 R CA 1.747 57.854 56.100 0.011 0.000 0.966 1299 R CB -1.945 28.360 30.300 0.009 0.000 0.861 1299 R HN 0.428 nan 8.270 nan 0.000 0.433 1300 T N -0.770 113.788 114.554 0.006 0.000 3.007 1300 T HA 0.246 4.596 4.350 -0.000 0.000 0.270 1300 T C 1.723 176.427 174.700 0.005 0.000 1.107 1300 T CA 0.726 62.828 62.100 0.004 0.000 1.118 1300 T CB -0.568 68.299 68.868 -0.001 0.000 0.889 1300 T HN 1.197 nan 8.240 nan 0.000 0.506 1301 G N 1.481 110.285 108.800 0.007 0.000 2.634 1301 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.309 1301 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.309 1301 G C 0.057 174.954 174.900 -0.005 0.000 1.265 1301 G CA 0.050 45.154 45.100 0.007 0.000 0.998 1301 G HN 0.609 nan 8.290 nan 0.000 0.551 1302 V N 1.705 121.616 119.914 -0.005 0.000 2.488 1302 V HA 0.644 4.764 4.120 -0.000 0.000 0.277 1302 V C 0.776 176.865 176.094 -0.008 0.000 1.046 1302 V CA 0.749 63.040 62.300 -0.014 0.000 0.986 1302 V CB 1.229 33.044 31.823 -0.013 0.000 0.989 1302 V HN 0.845 nan 8.190 nan 0.000 0.475 1303 R N 3.471 123.963 120.500 -0.014 0.000 2.879 1303 R HA 0.429 4.769 4.340 -0.000 0.000 0.291 1303 R C -2.117 174.173 176.300 -0.016 0.000 1.246 1303 R CA -0.274 55.819 56.100 -0.011 0.000 1.083 1303 R CB 1.784 32.081 30.300 -0.006 0.000 1.274 1303 R HN 0.556 nan 8.270 nan 0.000 0.393 1304 V N 4.537 124.440 119.914 -0.019 0.000 2.435 1304 V HA 0.478 4.598 4.120 -0.000 0.000 0.290 1304 V C -0.015 176.064 176.094 -0.024 0.000 1.030 1304 V CA -0.710 61.576 62.300 -0.024 0.000 0.881 1304 V CB 1.956 33.762 31.823 -0.029 0.000 0.983 1304 V HN 0.375 nan 8.190 nan 0.000 0.445 1305 V N 6.246 126.146 119.914 -0.024 0.000 2.398 1305 V HA 0.514 4.634 4.120 -0.000 0.000 0.286 1305 V C -0.183 175.894 176.094 -0.028 0.000 1.026 1305 V CA -0.353 61.933 62.300 -0.023 0.000 0.868 1305 V CB 1.597 33.409 31.823 -0.018 0.000 0.982 1305 V HN 0.659 nan 8.190 nan 0.000 0.443 1306 I N 3.765 124.316 120.570 -0.032 0.000 2.448 1306 I HA 0.349 4.519 4.170 -0.000 0.000 0.281 1306 I C -0.761 175.337 176.117 -0.032 0.000 1.027 1306 I CA -0.609 60.669 61.300 -0.036 0.000 1.111 1306 I CB 1.675 39.645 38.000 -0.049 0.000 1.236 1306 I HN 0.498 nan 8.210 nan 0.000 0.452 1307 D N 5.831 126.216 120.400 -0.026 0.000 2.389 1307 D HA 0.191 4.831 4.640 -0.000 0.000 0.247 1307 D C -0.115 176.171 176.300 -0.023 0.000 1.128 1307 D CA 0.106 54.093 54.000 -0.022 0.000 0.884 1307 D CB 2.141 42.930 40.800 -0.018 0.000 1.194 1307 D HN 0.072 nan 8.370 nan 0.000 0.441 1308 V N 3.249 123.150 119.914 -0.021 0.000 2.370 1308 V HA 0.220 4.340 4.120 -0.000 0.000 0.283 1308 V C 0.896 176.981 176.094 -0.015 0.000 1.023 1308 V CA -0.908 61.380 62.300 -0.020 0.000 0.857 1308 V CB 1.268 33.079 31.823 -0.021 0.000 0.985 1308 V HN 0.406 nan 8.190 nan 0.000 0.443 1309 R N 3.742 124.233 120.500 -0.014 0.000 2.770 1309 R HA 0.129 4.469 4.340 -0.000 0.000 0.361 1309 R C 0.850 177.144 176.300 -0.010 0.000 0.860 1309 R CA 0.592 56.685 56.100 -0.011 0.000 1.071 1309 R CB -0.396 29.898 30.300 -0.011 0.000 0.907 1309 R HN 0.885 nan 8.270 nan 0.000 0.403 1310 K N 3.154 123.549 120.400 -0.009 0.000 2.600 1310 K HA -0.206 4.114 4.320 -0.000 0.000 0.271 1310 K C 0.466 177.062 176.600 -0.006 0.000 0.994 1310 K CA 1.148 57.431 56.287 -0.007 0.000 1.026 1310 K CB -0.270 32.227 32.500 -0.006 0.000 0.817 1310 K HN 0.869 nan 8.250 nan 0.000 0.492 1311 D N -3.018 117.379 120.400 -0.005 0.000 2.911 1311 D HA -0.112 4.527 4.640 -0.000 0.000 0.227 1311 D C -0.050 176.247 176.300 -0.005 0.000 1.164 1311 D CA 1.708 55.705 54.000 -0.004 0.000 0.782 1311 D CB -1.856 38.942 40.800 -0.004 0.000 1.094 1311 D HN 1.430 nan 8.370 nan 0.000 0.425 1312 A N -0.037 122.779 122.820 -0.006 0.000 2.393 1312 A HA 0.571 4.891 4.320 -0.000 0.000 0.306 1312 A C -0.030 177.550 177.584 -0.007 0.000 1.050 1312 A CA -0.670 51.362 52.037 -0.007 0.000 0.724 1312 A CB 1.245 20.240 19.000 -0.009 0.000 1.248 1312 A HN 0.009 nan 8.150 nan 0.000 0.424 1313 N N 1.839 120.536 118.700 -0.006 0.000 2.411 1313 N HA 0.113 4.853 4.740 -0.000 0.000 0.282 1313 N C 1.298 176.802 175.510 -0.009 0.000 1.322 1313 N CA 0.682 53.729 53.050 -0.005 0.000 0.943 1313 N CB 1.008 39.494 38.487 -0.001 0.000 1.266 1313 N HN 0.713 nan 8.380 nan 0.000 0.486 1314 A N 2.637 125.451 122.820 -0.011 0.000 1.969 1314 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 1314 A C 2.057 179.628 177.584 -0.023 0.000 1.169 1314 A CA 1.297 53.322 52.037 -0.020 0.000 0.635 1314 A CB -0.099 18.890 19.000 -0.019 0.000 0.810 1314 A HN 0.620 nan 8.150 nan 0.000 0.445 1315 S N -0.307 115.388 115.700 -0.008 0.000 2.428 1315 S HA -0.055 4.415 4.470 -0.000 0.000 0.230 1315 S C 1.679 176.284 174.600 0.009 0.000 1.014 1315 S CA 1.168 59.371 58.200 0.005 0.000 0.957 1315 S CB -0.209 63.002 63.200 0.019 0.000 0.784 1315 S HN 0.328 nan 8.310 nan 0.000 0.499 1316 V N 2.267 122.182 119.914 0.002 0.000 2.591 1316 V HA -0.064 4.056 4.120 -0.000 0.000 0.249 1316 V C 2.020 178.109 176.094 -0.008 0.000 1.053 1316 V CA 1.121 63.424 62.300 0.004 0.000 1.068 1316 V CB -0.725 31.100 31.823 0.003 0.000 0.689 1316 V HN 0.467 nan 8.190 nan 0.000 0.462 1317 I N -0.285 120.269 120.570 -0.026 0.000 2.133 1317 I HA -0.216 3.954 4.170 -0.000 0.000 0.238 1317 I C 2.455 178.519 176.117 -0.089 0.000 1.074 1317 I CA 1.336 62.608 61.300 -0.048 0.000 1.342 1317 I CB -0.664 37.304 38.000 -0.053 0.000 1.053 1317 I HN 0.284 nan 8.210 nan 0.000 0.404 1318 L N 1.648 122.799 121.223 -0.120 0.000 2.089 1318 L HA -0.257 4.083 4.340 -0.000 0.000 0.213 1318 L C 2.099 178.809 176.870 -0.268 0.000 1.079 1318 L CA 1.981 56.666 54.840 -0.259 0.000 0.758 1318 L CB -1.019 40.926 42.059 -0.189 0.000 0.891 1318 L HN 0.259 nan 8.230 nan 0.000 0.433 1319 N N -0.435 118.263 118.700 -0.004 0.000 2.396 1319 N HA -0.110 4.630 4.740 -0.000 0.000 0.180 1319 N C 1.388 176.971 175.510 0.121 0.000 1.028 1319 N CA 0.868 54.021 53.050 0.171 0.000 0.893 1319 N CB -0.268 38.295 38.487 0.128 0.000 0.967 1319 N HN 0.509 nan 8.380 nan 0.000 0.440 1320 N N 0.709 119.422 118.700 0.021 0.000 2.349 1320 N HA 0.113 4.853 4.740 -0.000 0.000 0.180 1320 N C 1.884 177.391 175.510 -0.004 0.000 1.024 1320 N CA 0.070 53.130 53.050 0.018 0.000 0.869 1320 N CB -0.275 38.212 38.487 -0.000 0.000 1.022 1320 N HN 0.127 nan 8.380 nan 0.000 0.433 1321 L N 0.592 121.767 121.223 -0.080 0.000 2.137 1321 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 1321 L C 1.989 178.824 176.870 -0.058 0.000 1.085 1321 L CA 1.264 56.040 54.840 -0.106 0.000 0.760 1321 L CB -0.381 41.563 42.059 -0.191 0.000 0.893 1321 L HN 0.181 nan 8.230 nan 0.000 0.434 1322 Y N 0.490 120.786 120.300 -0.007 0.000 2.114 1322 Y HA -0.269 4.281 4.550 -0.000 0.000 0.284 1322 Y C 2.459 178.355 175.900 -0.007 0.000 1.143 1322 Y CA 1.501 59.597 58.100 -0.007 0.000 1.135 1322 Y CB -0.435 38.023 38.460 -0.004 0.000 0.980 1322 Y HN 0.169 nan 8.280 nan 0.000 0.499 1323 K N -0.344 120.154 120.400 0.163 0.000 2.426 1323 K HA -0.007 4.313 4.320 -0.000 0.000 0.193 1323 K C 1.741 178.371 176.600 0.050 0.000 1.028 1323 K CA 0.494 56.832 56.287 0.086 0.000 1.047 1323 K CB 0.012 32.551 32.500 0.066 0.000 0.821 1323 K HN 0.407 nan 8.250 nan 0.000 0.513 1324 Q N 0.676 120.500 119.800 0.040 0.000 2.107 1324 Q HA -0.003 4.337 4.340 -0.000 0.000 0.195 1324 Q C 1.010 177.018 176.000 0.013 0.000 0.964 1324 Q CA 1.290 57.103 55.803 0.017 0.000 0.833 1324 Q CB 0.362 29.101 28.738 0.002 0.000 0.910 1324 Q HN 0.380 nan 8.270 nan 0.000 0.465 1325 T N -1.981 112.581 114.554 0.014 0.000 2.844 1325 T HA 0.288 4.638 4.350 -0.000 0.000 0.274 1325 T C -2.338 172.373 174.700 0.019 0.000 0.991 1325 T CA -1.785 60.319 62.100 0.006 0.000 0.983 1325 T CB 0.544 69.406 68.868 -0.009 0.000 1.310 1325 T HN -0.233 nan 8.240 nan 0.000 0.596 1326 P HA 0.097 nan 4.420 nan 0.000 0.242 1326 P C 1.137 178.450 177.300 0.021 0.000 1.198 1326 P CA 0.095 63.197 63.100 0.004 0.000 0.756 1326 P CB -0.204 31.487 31.700 -0.016 0.000 0.911 1327 L N -1.087 120.164 121.223 0.047 0.000 2.201 1327 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 1327 L C 0.940 177.913 176.870 0.171 0.000 1.105 1327 L CA 1.720 56.617 54.840 0.096 0.000 0.775 1327 L CB -0.315 41.786 42.059 0.071 0.000 0.913 1327 L HN -0.001 nan 8.230 nan 0.000 0.440 1328 Q N -1.032 118.855 119.800 0.145 0.000 2.323 1328 Q HA 0.411 4.751 4.340 -0.000 0.000 0.271 1328 Q C -1.385 174.635 176.000 0.034 0.000 1.048 1328 Q CA -0.395 55.457 55.803 0.081 0.000 0.792 1328 Q CB 1.835 30.616 28.738 0.072 0.000 1.280 1328 Q HN 0.035 nan 8.270 nan 0.000 0.441 1329 T N 1.337 115.896 114.554 0.008 0.000 2.909 1329 T HA 0.355 4.705 4.350 -0.000 0.000 0.299 1329 T C -0.934 173.779 174.700 0.021 0.000 1.073 1329 T CA -0.686 61.417 62.100 0.004 0.000 0.999 1329 T CB 1.561 70.422 68.868 -0.012 0.000 1.098 1329 T HN 0.607 nan 8.240 nan 0.000 0.477 1330 S N 1.929 117.642 115.700 0.021 0.000 2.452 1330 S HA 0.557 5.027 4.470 -0.000 0.000 0.284 1330 S C -0.574 174.069 174.600 0.071 0.000 1.171 1330 S CA -0.667 57.559 58.200 0.044 0.000 1.064 1330 S CB -0.114 63.094 63.200 0.014 0.000 0.967 1330 S HN 0.551 nan 8.310 nan 0.000 0.484 1331 F N 3.669 123.628 119.950 0.015 0.000 2.375 1331 F HA 0.531 5.058 4.527 -0.000 0.000 0.362 1331 F C 0.956 176.786 175.800 0.049 0.000 1.129 1331 F CA -0.356 57.675 58.000 0.052 0.000 1.154 1331 F CB 0.473 39.546 39.000 0.122 0.000 1.205 1331 F HN 0.847 nan 8.300 nan 0.000 0.513 1332 G N 6.382 115.059 108.800 -0.204 0.000 2.977 1332 G HA2 0.360 4.320 3.960 -0.000 0.000 0.306 1332 G HA3 0.360 4.320 3.960 -0.000 0.000 0.306 1332 G C -0.541 174.338 174.900 -0.035 0.000 0.885 1332 G CA -0.372 44.682 45.100 -0.076 0.000 1.649 1332 G HN 0.491 nan 8.290 nan 0.000 0.514 1333 V N 2.025 122.036 119.914 0.162 0.000 2.585 1333 V HA 0.085 4.205 4.120 -0.000 0.000 0.296 1333 V C 0.724 176.893 176.094 0.124 0.000 1.035 1333 V CA 0.246 62.684 62.300 0.231 0.000 1.084 1333 V CB 1.119 33.121 31.823 0.298 0.000 0.953 1333 V HN 0.778 nan 8.190 nan 0.000 0.483 1334 N N 5.066 123.835 118.700 0.115 0.000 2.687 1334 N HA 0.268 5.008 4.740 -0.000 0.000 0.275 1334 N C -0.218 175.341 175.510 0.082 0.000 1.789 1334 N CA -0.508 52.587 53.050 0.075 0.000 0.806 1334 N CB 0.326 38.837 38.487 0.040 0.000 1.256 1334 N HN 0.650 nan 8.380 nan 0.000 0.500 1335 M N 2.656 122.318 119.600 0.102 0.000 2.982 1335 M HA 0.113 4.593 4.480 -0.000 0.000 0.293 1335 M C -0.453 175.883 176.300 0.059 0.000 1.611 1335 M CA 0.811 56.167 55.300 0.093 0.000 1.576 1335 M CB -0.526 32.138 32.600 0.107 0.000 1.555 1335 M HN 0.251 nan 8.290 nan 0.000 0.485 1336 I N 2.074 122.670 120.570 0.044 0.000 2.493 1336 I HA 0.844 5.014 4.170 -0.000 0.000 0.298 1336 I C -0.059 176.063 176.117 0.008 0.000 0.998 1336 I CA -0.730 60.583 61.300 0.022 0.000 1.137 1336 I CB 1.925 39.934 38.000 0.014 0.000 1.310 1336 I HN 0.611 nan 8.210 nan 0.000 0.445 1337 A N 5.407 128.220 122.820 -0.011 0.000 2.594 1337 A HA 0.524 4.844 4.320 -0.000 0.000 0.296 1337 A C -1.066 176.483 177.584 -0.058 0.000 1.056 1337 A CA -0.693 51.327 52.037 -0.030 0.000 0.693 1337 A CB 0.926 19.911 19.000 -0.026 0.000 1.278 1337 A HN 0.638 nan 8.150 nan 0.000 0.408 1338 L N 1.799 122.981 121.223 -0.067 0.000 2.742 1338 L HA 0.168 4.508 4.340 -0.000 0.000 0.275 1338 L C -0.271 176.526 176.870 -0.121 0.000 1.141 1338 L CA 0.155 54.944 54.840 -0.085 0.000 0.987 1338 L CB -0.314 41.698 42.059 -0.078 0.000 1.319 1338 L HN 0.429 nan 8.230 nan 0.000 0.478 1339 V N 3.813 123.635 119.914 -0.153 0.000 2.547 1339 V HA 0.219 4.339 4.120 -0.000 0.000 0.299 1339 V C 0.718 176.697 176.094 -0.192 0.000 1.040 1339 V CA -0.793 61.354 62.300 -0.256 0.000 0.913 1339 V CB 1.585 33.190 31.823 -0.362 0.000 0.992 1339 V HN 0.822 nan 8.190 nan 0.000 0.449 1340 N N 3.401 121.988 118.700 -0.187 0.000 2.666 1340 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 1340 N C 1.089 176.552 175.510 -0.080 0.000 1.063 1340 N CA 1.575 54.563 53.050 -0.104 0.000 0.750 1340 N CB -0.828 37.612 38.487 -0.078 0.000 0.992 1340 N HN 1.483 nan 8.380 nan 0.000 0.542 1341 G N -1.418 107.331 108.800 -0.085 0.000 2.149 1341 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.235 1341 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.235 1341 G C 0.036 174.895 174.900 -0.069 0.000 1.018 1341 G CA 0.497 45.555 45.100 -0.070 0.000 0.728 1341 G HN 0.640 nan 8.290 nan 0.000 0.508 1342 R N -0.920 119.534 120.500 -0.077 0.000 2.734 1342 R HA 0.503 4.843 4.340 -0.000 0.000 0.271 1342 R C -3.048 173.211 176.300 -0.068 0.000 1.021 1342 R CA -2.065 53.994 56.100 -0.068 0.000 0.893 1342 R CB 1.799 32.062 30.300 -0.060 0.000 1.244 1342 R HN -0.025 nan 8.270 nan 0.000 0.464 1343 P HA 0.076 nan 4.420 nan 0.000 0.268 1343 P C -1.129 176.148 177.300 -0.039 0.000 1.282 1343 P CA 0.202 63.274 63.100 -0.047 0.000 0.880 1343 P CB 0.401 32.076 31.700 -0.042 0.000 0.971 1344 K N 2.714 123.090 120.400 -0.041 0.000 2.295 1344 K HA 0.592 4.912 4.320 -0.000 0.000 0.239 1344 K C -1.094 175.504 176.600 -0.004 0.000 0.991 1344 K CA -1.197 55.075 56.287 -0.026 0.000 0.845 1344 K CB 1.285 33.758 32.500 -0.045 0.000 1.197 1344 K HN 0.179 nan 8.250 nan 0.000 0.441 1345 L N 4.742 125.974 121.223 0.014 0.000 2.298 1345 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 1345 L C -0.923 175.975 176.870 0.047 0.000 1.013 1345 L CA -0.299 54.559 54.840 0.030 0.000 0.824 1345 L CB 0.838 42.915 42.059 0.031 0.000 1.221 1345 L HN 0.489 nan 8.230 nan 0.000 0.418 1346 I N 1.747 122.353 120.570 0.058 0.000 2.530 1346 I HA 0.629 4.799 4.170 -0.000 0.000 0.297 1346 I C -0.562 175.593 176.117 0.064 0.000 1.011 1346 I CA -0.911 60.435 61.300 0.078 0.000 1.107 1346 I CB 1.883 39.961 38.000 0.131 0.000 1.285 1346 I HN 0.673 nan 8.210 nan 0.000 0.436 1347 N N 4.126 122.857 118.700 0.053 0.000 2.463 1347 N HA 0.242 4.982 4.740 -0.000 0.000 0.270 1347 N C 0.709 176.219 175.510 0.001 0.000 1.205 1347 N CA -0.897 52.183 53.050 0.050 0.000 0.974 1347 N CB 1.072 39.588 38.487 0.048 0.000 1.197 1347 N HN 0.785 nan 8.380 nan 0.000 0.504 1348 L N 0.075 121.280 121.223 -0.031 0.000 2.082 1348 L HA -0.325 4.015 4.340 -0.000 0.000 0.223 1348 L C 2.210 178.988 176.870 -0.153 0.000 1.086 1348 L CA 2.058 56.788 54.840 -0.184 0.000 0.793 1348 L CB -0.705 41.131 42.059 -0.372 0.000 0.896 1348 L HN 0.869 nan 8.230 nan 0.000 0.441 1349 K N -0.554 119.783 120.400 -0.106 0.000 1.965 1349 K HA -0.229 4.091 4.320 -0.000 0.000 0.220 1349 K C 1.925 178.449 176.600 -0.126 0.000 1.046 1349 K CA 2.024 58.248 56.287 -0.105 0.000 0.974 1349 K CB -0.406 32.047 32.500 -0.079 0.000 0.738 1349 K HN 0.409 nan 8.250 nan 0.000 0.444 1350 E N -0.185 119.936 120.200 -0.132 0.000 2.132 1350 E HA -0.367 3.983 4.350 -0.000 0.000 0.218 1350 E C 1.947 178.412 176.600 -0.225 0.000 1.058 1350 E CA 1.795 58.035 56.400 -0.266 0.000 0.882 1350 E CB -0.419 29.248 29.700 -0.056 0.000 0.774 1350 E HN 0.516 nan 8.360 nan 0.000 0.467 1351 A N 0.992 123.823 122.820 0.018 0.000 1.881 1351 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 1351 A C 2.261 179.862 177.584 0.028 0.000 1.215 1351 A CA 1.996 54.075 52.037 0.071 0.000 0.648 1351 A CB -1.010 17.984 19.000 -0.011 0.000 0.832 1351 A HN 0.228 nan 8.150 nan 0.000 0.455 1352 L N -0.860 120.331 121.223 -0.053 0.000 2.042 1352 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 1352 L C 2.576 179.467 176.870 0.036 0.000 1.076 1352 L CA 1.352 56.180 54.840 -0.021 0.000 0.749 1352 L CB -0.685 41.324 42.059 -0.084 0.000 0.893 1352 L HN 0.300 nan 8.230 nan 0.000 0.432 1353 V N -0.817 119.047 119.914 -0.083 0.000 2.216 1353 V HA -0.323 3.797 4.120 -0.000 0.000 0.243 1353 V C 2.517 178.569 176.094 -0.071 0.000 1.044 1353 V CA 1.864 64.086 62.300 -0.130 0.000 0.995 1353 V CB -0.842 30.816 31.823 -0.276 0.000 0.633 1353 V HN 0.424 nan 8.190 nan 0.000 0.446 1354 H N -1.067 118.016 119.070 0.021 0.000 2.297 1354 H HA -0.306 4.249 4.556 -0.000 0.000 0.289 1354 H C 2.101 177.452 175.328 0.039 0.000 1.105 1354 H CA 2.717 58.777 56.048 0.020 0.000 1.219 1354 H CB -0.973 28.796 29.762 0.011 0.000 1.351 1354 H HN 0.618 nan 8.280 nan 0.000 0.481 1355 Y N 1.098 121.442 120.300 0.074 0.000 2.014 1355 Y HA -0.294 4.256 4.550 -0.000 0.000 0.270 1355 Y C 2.857 178.787 175.900 0.050 0.000 1.145 1355 Y CA 1.819 59.928 58.100 0.016 0.000 1.106 1355 Y CB -0.667 37.767 38.460 -0.043 0.000 0.968 1355 Y HN 0.121 nan 8.280 nan 0.000 0.484 1356 L N 0.924 122.149 121.223 0.004 0.000 2.034 1356 L HA -0.284 4.055 4.340 -0.000 0.000 0.217 1356 L C 2.163 178.946 176.870 -0.144 0.000 1.077 1356 L CA 2.623 57.408 54.840 -0.092 0.000 0.769 1356 L CB -0.903 41.165 42.059 0.015 0.000 0.890 1356 L HN 0.382 nan 8.230 nan 0.000 0.435 1357 E N -1.231 118.928 120.200 -0.068 0.000 2.072 1357 E HA -0.260 4.090 4.350 -0.000 0.000 0.191 1357 E C 2.129 178.685 176.600 -0.072 0.000 0.985 1357 E CA 1.485 57.854 56.400 -0.051 0.000 0.801 1357 E CB -0.275 29.424 29.700 -0.002 0.000 0.750 1357 E HN 0.754 nan 8.360 nan 0.000 0.452 1358 H N 0.152 119.123 119.070 -0.164 0.000 2.267 1358 H HA -0.200 4.356 4.556 -0.000 0.000 0.291 1358 H C 1.934 177.125 175.328 -0.229 0.000 1.094 1358 H CA 2.602 58.536 56.048 -0.190 0.000 1.227 1358 H CB 0.029 29.659 29.762 -0.220 0.000 1.351 1358 H HN 0.102 nan 8.280 nan 0.000 0.483 1359 Q N 0.709 120.334 119.800 -0.292 0.000 2.077 1359 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 1359 Q C 2.390 178.270 176.000 -0.201 0.000 0.989 1359 Q CA 1.695 57.334 55.803 -0.273 0.000 0.853 1359 Q CB -0.383 28.175 28.738 -0.300 0.000 0.907 1359 Q HN 0.535 nan 8.270 nan 0.000 0.418 1360 K N -0.131 120.172 120.400 -0.162 0.000 2.152 1360 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 1360 K C 1.819 178.345 176.600 -0.122 0.000 1.048 1360 K CA 1.488 57.708 56.287 -0.113 0.000 0.933 1360 K CB 0.025 32.475 32.500 -0.084 0.000 0.721 1360 K HN 0.163 nan 8.250 nan 0.000 0.447 1361 T N -0.149 114.306 114.554 -0.166 0.000 3.129 1361 T HA 0.039 4.389 4.350 -0.000 0.000 0.251 1361 T C 1.540 176.118 174.700 -0.203 0.000 1.117 1361 T CA 0.255 62.258 62.100 -0.162 0.000 1.034 1361 T CB 0.386 69.159 68.868 -0.160 0.000 0.968 1361 T HN -0.067 nan 8.240 nan 0.000 0.526 1362 V N 0.386 120.153 119.914 -0.245 0.000 2.581 1362 V HA 0.016 4.136 4.120 -0.000 0.000 0.240 1362 V C 2.485 178.508 176.094 -0.118 0.000 1.054 1362 V CA 0.711 62.880 62.300 -0.219 0.000 1.076 1362 V CB -0.100 31.561 31.823 -0.270 0.000 0.748 1362 V HN 0.244 nan 8.190 nan 0.000 0.474 1363 V N 0.765 120.621 119.914 -0.097 0.000 2.490 1363 V HA -0.257 3.863 4.120 -0.000 0.000 0.250 1363 V C 2.534 178.603 176.094 -0.042 0.000 1.061 1363 V CA 2.424 64.692 62.300 -0.053 0.000 1.064 1363 V CB -0.833 30.962 31.823 -0.046 0.000 0.670 1363 V HN 0.503 nan 8.190 nan 0.000 0.461 1364 R N 0.433 120.900 120.500 -0.055 0.000 2.070 1364 R HA -0.155 4.185 4.340 -0.000 0.000 0.233 1364 R C 2.587 178.872 176.300 -0.026 0.000 1.137 1364 R CA 1.690 57.765 56.100 -0.042 0.000 0.945 1364 R CB -0.230 30.040 30.300 -0.051 0.000 0.845 1364 R HN 0.428 nan 8.270 nan 0.000 0.430 1365 R N 0.089 120.566 120.500 -0.038 0.000 2.105 1365 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 1365 R C 2.570 178.880 176.300 0.018 0.000 1.135 1365 R CA 1.664 57.752 56.100 -0.020 0.000 0.967 1365 R CB -0.523 29.747 30.300 -0.051 0.000 0.861 1365 R HN 0.310 nan 8.270 nan 0.000 0.442 1366 R N 0.611 121.115 120.500 0.007 0.000 2.073 1366 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 1366 R C 1.894 178.268 176.300 0.125 0.000 1.134 1366 R CA 2.031 58.165 56.100 0.056 0.000 0.952 1366 R CB -0.325 29.994 30.300 0.032 0.000 0.850 1366 R HN 0.106 nan 8.270 nan 0.000 0.433 1367 T N 1.177 115.766 114.554 0.059 0.000 2.746 1367 T HA -0.162 4.187 4.350 -0.000 0.000 0.267 1367 T C 1.777 176.501 174.700 0.040 0.000 1.039 1367 T CA 1.483 63.603 62.100 0.033 0.000 1.142 1367 T CB -0.150 68.707 68.868 -0.017 0.000 0.866 1367 T HN 0.407 nan 8.240 nan 0.000 0.444 1368 Q N -0.560 119.266 119.800 0.042 0.000 2.112 1368 Q HA -0.199 4.140 4.340 -0.000 0.000 0.206 1368 Q C 2.059 178.111 176.000 0.086 0.000 0.987 1368 Q CA 1.960 57.790 55.803 0.045 0.000 0.858 1368 Q CB -0.283 28.477 28.738 0.038 0.000 0.905 1368 Q HN 0.684 nan 8.270 nan 0.000 0.420 1369 Y N 1.172 121.467 120.300 -0.008 0.000 2.243 1369 Y HA -0.066 4.484 4.550 -0.000 0.000 0.293 1369 Y C 1.699 177.613 175.900 0.023 0.000 1.124 1369 Y CA 1.036 59.135 58.100 -0.001 0.000 1.159 1369 Y CB -0.077 38.378 38.460 -0.008 0.000 1.008 1369 Y HN 0.057 nan 8.280 nan 0.000 0.527 1370 N N 0.721 119.507 118.700 0.144 0.000 2.513 1370 N HA -0.150 4.590 4.740 -0.000 0.000 0.187 1370 N C 1.498 177.057 175.510 0.080 0.000 1.056 1370 N CA 1.403 54.519 53.050 0.110 0.000 0.907 1370 N CB -0.229 38.416 38.487 0.263 0.000 0.954 1370 N HN 0.560 nan 8.380 nan 0.000 0.445 1371 L N -0.223 121.005 121.223 0.008 0.000 2.349 1371 L HA 0.232 4.572 4.340 -0.000 0.000 0.200 1371 L C 1.788 178.631 176.870 -0.045 0.000 1.064 1371 L CA 0.872 55.712 54.840 0.001 0.000 0.821 1371 L CB -0.108 41.942 42.059 -0.014 0.000 1.027 1371 L HN -0.206 nan 8.230 nan 0.000 0.476 1372 R N 0.119 120.572 120.500 -0.078 0.000 2.189 1372 R HA -0.133 4.207 4.340 -0.000 0.000 0.223 1372 R C 2.081 178.297 176.300 -0.141 0.000 1.092 1372 R CA 1.366 57.409 56.100 -0.095 0.000 0.989 1372 R CB -0.232 30.016 30.300 -0.086 0.000 0.876 1372 R HN 0.381 nan 8.270 nan 0.000 0.457 1373 K N 0.381 120.654 120.400 -0.212 0.000 2.228 1373 K HA -0.005 4.315 4.320 -0.000 0.000 0.202 1373 K C 1.771 178.292 176.600 -0.132 0.000 1.051 1373 K CA 1.092 57.236 56.287 -0.239 0.000 0.960 1373 K CB 0.144 32.403 32.500 -0.401 0.000 0.743 1373 K HN 0.122 nan 8.250 nan 0.000 0.458 1374 A N 1.103 123.878 122.820 -0.074 0.000 1.901 1374 A HA 0.034 4.354 4.320 -0.000 0.000 0.210 1374 A C 1.763 179.323 177.584 -0.039 0.000 1.208 1374 A CA 0.665 52.679 52.037 -0.038 0.000 0.644 1374 A CB -0.240 18.795 19.000 0.058 0.000 0.863 1374 A HN 0.189 nan 8.150 nan 0.000 0.454 1375 K N 0.044 120.426 120.400 -0.032 0.000 2.107 1375 K HA -0.220 4.100 4.320 -0.000 0.000 0.211 1375 K C 1.275 177.865 176.600 -0.018 0.000 1.049 1375 K CA 1.783 58.055 56.287 -0.026 0.000 0.927 1375 K CB -0.221 32.260 32.500 -0.032 0.000 0.714 1375 K HN 0.418 nan 8.250 nan 0.000 0.452 1376 D N -0.426 119.946 120.400 -0.047 0.000 2.277 1376 D HA -0.087 4.552 4.640 -0.000 0.000 0.208 1376 D C 1.968 178.277 176.300 0.015 0.000 0.962 1376 D CA 0.834 54.805 54.000 -0.049 0.000 0.865 1376 D CB 0.216 40.964 40.800 -0.087 0.000 0.939 1376 D HN 0.072 nan 8.370 nan 0.000 0.510 1377 R N 0.742 121.239 120.500 -0.005 0.000 2.175 1377 R HA 0.184 4.524 4.340 -0.000 0.000 0.202 1377 R C 1.909 178.219 176.300 0.017 0.000 1.018 1377 R CA 1.108 57.209 56.100 0.002 0.000 1.029 1377 R CB -0.352 29.922 30.300 -0.043 0.000 0.959 1377 R HN -0.050 nan 8.270 nan 0.000 0.480 1378 A N 0.347 123.151 122.820 -0.026 0.000 1.842 1378 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 1378 A C 1.933 179.582 177.584 0.110 0.000 1.206 1378 A CA 2.110 54.100 52.037 -0.080 0.000 0.630 1378 A CB -1.411 17.488 19.000 -0.168 0.000 0.839 1378 A HN 0.686 nan 8.150 nan 0.000 0.447 1379 H N -0.456 118.630 119.070 0.028 0.000 2.286 1379 H HA -0.232 4.324 4.556 -0.000 0.000 0.284 1379 H C 1.755 177.118 175.328 0.059 0.000 1.116 1379 H CA 2.757 58.835 56.048 0.050 0.000 1.175 1379 H CB -0.156 29.614 29.762 0.014 0.000 1.347 1379 H HN 0.356 nan 8.280 nan 0.000 0.475 1380 I N 0.005 120.668 120.570 0.155 0.000 2.233 1380 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 1380 I C 2.641 178.786 176.117 0.046 0.000 1.093 1380 I CA 0.983 62.327 61.300 0.073 0.000 1.380 1380 I CB -1.071 36.985 38.000 0.094 0.000 1.067 1380 I HN 0.379 nan 8.210 nan 0.000 0.413 1381 L N 0.611 121.896 121.223 0.103 0.000 2.151 1381 L HA -0.284 4.056 4.340 -0.000 0.000 0.215 1381 L C 2.448 179.399 176.870 0.136 0.000 1.084 1381 L CA 1.513 56.452 54.840 0.164 0.000 0.764 1381 L CB -0.366 41.872 42.059 0.298 0.000 0.891 1381 L HN 0.337 nan 8.230 nan 0.000 0.435 1382 E N -0.759 119.511 120.200 0.118 0.000 2.005 1382 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 1382 E C 2.208 178.752 176.600 -0.093 0.000 0.987 1382 E CA 0.875 57.258 56.400 -0.029 0.000 0.814 1382 E CB -0.530 29.162 29.700 -0.015 0.000 0.772 1382 E HN 0.497 nan 8.360 nan 0.000 0.453 1383 G N 1.914 110.638 108.800 -0.127 0.000 2.656 1383 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.223 1383 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.223 1383 G C 1.556 176.393 174.900 -0.105 0.000 1.130 1383 G CA 1.400 46.422 45.100 -0.131 0.000 0.758 1383 G HN 0.059 nan 8.290 nan 0.000 0.608 1384 L N -0.759 120.421 121.223 -0.072 0.000 1.973 1384 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 1384 L C 3.018 179.848 176.870 -0.068 0.000 1.073 1384 L CA 1.385 56.188 54.840 -0.062 0.000 0.746 1384 L CB -0.753 41.288 42.059 -0.031 0.000 0.891 1384 L HN 0.134 nan 8.230 nan 0.000 0.433 1385 R N 0.308 120.767 120.500 -0.068 0.000 2.206 1385 R HA -0.276 4.063 4.340 -0.000 0.000 0.240 1385 R C 2.252 178.508 176.300 -0.073 0.000 1.117 1385 R CA 2.291 58.343 56.100 -0.079 0.000 0.915 1385 R CB -0.788 29.426 30.300 -0.145 0.000 0.888 1385 R HN 0.265 nan 8.270 nan 0.000 0.432 1386 I N -0.098 120.401 120.570 -0.118 0.000 2.132 1386 I HA -0.426 3.743 4.170 -0.000 0.000 0.238 1386 I C 2.525 178.526 176.117 -0.194 0.000 1.012 1386 I CA 2.059 63.239 61.300 -0.201 0.000 1.288 1386 I CB -0.683 37.202 38.000 -0.191 0.000 0.997 1386 I HN 0.435 nan 8.210 nan 0.000 0.402 1387 A N 0.297 123.035 122.820 -0.137 0.000 1.902 1387 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 1387 A C 2.262 179.842 177.584 -0.006 0.000 1.181 1387 A CA 1.299 53.272 52.037 -0.107 0.000 0.623 1387 A CB -0.781 18.115 19.000 -0.173 0.000 0.818 1387 A HN 0.480 nan 8.150 nan 0.000 0.443 1388 L N -0.451 120.765 121.223 -0.011 0.000 2.191 1388 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 1388 L C 1.789 178.697 176.870 0.064 0.000 1.103 1388 L CA 1.267 56.116 54.840 0.015 0.000 0.769 1388 L CB -0.649 41.408 42.059 -0.004 0.000 0.908 1388 L HN 0.413 nan 8.230 nan 0.000 0.438 1389 D N -1.105 119.372 120.400 0.128 0.000 2.128 1389 D HA -0.097 4.543 4.640 -0.000 0.000 0.213 1389 D C 1.262 177.742 176.300 0.301 0.000 0.983 1389 D CA 1.079 55.216 54.000 0.228 0.000 0.889 1389 D CB -0.605 40.414 40.800 0.365 0.000 1.018 1389 D HN 0.276 nan 8.370 nan 0.000 0.448 1390 H N 0.854 119.975 119.070 0.085 0.000 4.154 1390 H HA 0.144 4.700 4.556 -0.000 0.000 0.224 1390 H C 1.338 176.758 175.328 0.153 0.000 1.227 1390 H CA -0.280 55.849 56.048 0.135 0.000 1.274 1390 H CB -1.120 28.781 29.762 0.231 0.000 1.426 1390 H HN 0.184 nan 8.280 nan 0.000 0.788 1391 I N -0.164 120.519 120.570 0.187 0.000 2.233 1391 I HA -0.226 3.943 4.170 -0.000 0.000 0.243 1391 I C 1.186 177.355 176.117 0.086 0.000 1.093 1391 I CA 1.189 62.551 61.300 0.104 0.000 1.380 1391 I CB 0.314 38.345 38.000 0.052 0.000 1.067 1391 I HN 0.177 nan 8.210 nan 0.000 0.413 1392 D N 1.406 121.854 120.400 0.080 0.000 2.149 1392 D HA -0.212 4.428 4.640 -0.000 0.000 0.198 1392 D C 2.282 178.633 176.300 0.085 0.000 0.990 1392 D CA 1.639 55.675 54.000 0.061 0.000 0.839 1392 D CB -0.277 40.551 40.800 0.045 0.000 0.948 1392 D HN 0.585 nan 8.370 nan 0.000 0.460 1393 E N 0.845 121.130 120.200 0.142 0.000 2.107 1393 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 1393 E C 2.023 178.766 176.600 0.238 0.000 0.982 1393 E CA 0.516 57.034 56.400 0.197 0.000 0.809 1393 E CB -0.627 29.212 29.700 0.232 0.000 0.756 1393 E HN 0.112 nan 8.360 nan 0.000 0.459 1394 I N 1.041 121.731 120.570 0.201 0.000 2.151 1394 I HA -0.242 3.927 4.170 -0.000 0.000 0.243 1394 I C 2.543 178.628 176.117 -0.054 0.000 1.080 1394 I CA 1.171 62.418 61.300 -0.087 0.000 1.339 1394 I CB -0.820 37.063 38.000 -0.194 0.000 1.039 1394 I HN 0.255 nan 8.210 nan 0.000 0.409 1395 I N 0.547 121.114 120.570 -0.006 0.000 2.194 1395 I HA -0.281 3.888 4.170 -0.000 0.000 0.246 1395 I C 2.655 178.777 176.117 0.008 0.000 1.093 1395 I CA 1.380 62.677 61.300 -0.005 0.000 1.355 1395 I CB -1.276 36.729 38.000 0.009 0.000 1.046 1395 I HN 0.198 nan 8.210 nan 0.000 0.413 1396 S N 0.592 116.314 115.700 0.035 0.000 2.345 1396 S HA -0.154 4.316 4.470 -0.000 0.000 0.220 1396 S C 1.970 176.595 174.600 0.041 0.000 1.031 1396 S CA 1.942 60.167 58.200 0.042 0.000 0.996 1396 S CB -0.630 62.605 63.200 0.060 0.000 0.882 1396 S HN 0.508 nan 8.310 nan 0.000 0.445 1397 T N 2.745 117.338 114.554 0.065 0.000 2.751 1397 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 1397 T C 1.651 176.362 174.700 0.018 0.000 1.045 1397 T CA 1.558 63.695 62.100 0.063 0.000 1.142 1397 T CB -0.615 68.300 68.868 0.079 0.000 0.851 1397 T HN 0.411 nan 8.240 nan 0.000 0.474 1398 I N 0.084 120.650 120.570 -0.007 0.000 2.385 1398 I HA 0.022 4.192 4.170 -0.000 0.000 0.244 1398 I C 2.719 178.833 176.117 -0.005 0.000 1.089 1398 I CA 0.446 61.736 61.300 -0.017 0.000 1.410 1398 I CB -0.365 37.613 38.000 -0.036 0.000 1.117 1398 I HN -0.043 nan 8.210 nan 0.000 0.429 1399 R N 1.748 122.247 120.500 -0.002 0.000 2.112 1399 R HA -0.262 4.078 4.340 -0.000 0.000 0.242 1399 R C 1.989 178.293 176.300 0.006 0.000 1.137 1399 R CA 2.214 58.316 56.100 0.002 0.000 0.944 1399 R CB -1.006 29.298 30.300 0.006 0.000 0.857 1399 R HN 0.595 nan 8.270 nan 0.000 0.435 1400 E N 1.318 121.526 120.200 0.013 0.000 2.533 1400 E HA -0.016 4.334 4.350 -0.000 0.000 0.201 1400 E C -0.424 176.184 176.600 0.013 0.000 1.097 1400 E CA 0.250 56.659 56.400 0.015 0.000 0.887 1400 E CB 0.208 29.922 29.700 0.023 0.000 0.855 1400 E HN 0.026 nan 8.360 nan 0.000 0.540 1401 S N -0.045 115.661 115.700 0.009 0.000 2.568 1401 S HA 0.185 4.654 4.470 -0.000 0.000 0.302 1401 S C -0.469 174.133 174.600 0.003 0.000 1.082 1401 S CA -0.816 57.388 58.200 0.007 0.000 1.009 1401 S CB 1.822 65.025 63.200 0.005 0.000 1.069 1401 S HN 0.088 nan 8.310 nan 0.000 0.500 1402 D N 1.138 121.540 120.400 0.003 0.000 2.323 1402 D HA 0.123 4.763 4.640 -0.000 0.000 0.218 1402 D C 0.881 177.180 176.300 -0.000 0.000 0.973 1402 D CA 0.940 54.941 54.000 0.001 0.000 0.890 1402 D CB 0.387 41.189 40.800 0.003 0.000 1.011 1402 D HN 0.659 nan 8.370 nan 0.000 0.499 1403 T N -2.410 112.144 114.554 -0.001 0.000 2.916 1403 T HA 0.286 4.636 4.350 -0.000 0.000 0.292 1403 T C 0.376 175.074 174.700 -0.005 0.000 1.064 1403 T CA -0.821 61.277 62.100 -0.002 0.000 1.011 1403 T CB 1.883 70.750 68.868 -0.001 0.000 1.152 1403 T HN -0.295 nan 8.240 nan 0.000 0.510 1404 D N 0.135 120.530 120.400 -0.007 0.000 2.218 1404 D HA -0.083 4.557 4.640 -0.000 0.000 0.204 1404 D C 1.704 178.000 176.300 -0.007 0.000 0.976 1404 D CA 1.012 55.006 54.000 -0.010 0.000 0.853 1404 D CB 0.006 40.800 40.800 -0.011 0.000 0.939 1404 D HN 0.674 nan 8.370 nan 0.000 0.481 1405 K N 1.079 121.477 120.400 -0.003 0.000 1.985 1405 K HA -0.124 4.196 4.320 -0.000 0.000 0.210 1405 K C 2.011 178.612 176.600 0.002 0.000 1.047 1405 K CA 1.061 57.347 56.287 -0.000 0.000 0.932 1405 K CB -0.271 32.229 32.500 0.001 0.000 0.716 1405 K HN -0.120 nan 8.250 nan 0.000 0.439 1406 V N 1.245 121.161 119.914 0.003 0.000 2.261 1406 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 1406 V C 2.429 178.527 176.094 0.006 0.000 1.047 1406 V CA 2.021 64.325 62.300 0.007 0.000 1.015 1406 V CB -0.921 30.907 31.823 0.008 0.000 0.642 1406 V HN 0.583 nan 8.190 nan 0.000 0.446 1407 A N -0.361 122.459 122.820 -0.001 0.000 1.903 1407 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 1407 A C 2.218 179.793 177.584 -0.015 0.000 1.191 1407 A CA 2.504 54.536 52.037 -0.009 0.000 0.638 1407 A CB -0.521 18.468 19.000 -0.019 0.000 0.823 1407 A HN 0.439 nan 8.150 nan 0.000 0.451 1408 M N -0.936 118.657 119.600 -0.013 0.000 2.479 1408 M HA -0.182 4.298 4.480 -0.000 0.000 0.269 1408 M C 1.936 178.238 176.300 0.004 0.000 1.076 1408 M CA 2.020 57.313 55.300 -0.012 0.000 1.086 1408 M CB -1.749 30.847 32.600 -0.006 0.000 1.230 1408 M HN 0.544 nan 8.290 nan 0.000 0.474 1409 E N -0.070 120.136 120.200 0.011 0.000 2.324 1409 E HA -0.200 4.150 4.350 -0.000 0.000 0.205 1409 E C 1.955 178.575 176.600 0.033 0.000 1.031 1409 E CA 1.477 57.889 56.400 0.020 0.000 0.836 1409 E CB -0.240 29.470 29.700 0.016 0.000 0.742 1409 E HN 0.401 nan 8.360 nan 0.000 0.491 1410 S N 0.261 115.981 115.700 0.034 0.000 2.341 1410 S HA -0.016 4.454 4.470 -0.000 0.000 0.216 1410 S C 1.863 176.522 174.600 0.098 0.000 1.034 1410 S CA 0.233 58.468 58.200 0.059 0.000 0.964 1410 S CB -0.093 63.137 63.200 0.050 0.000 0.882 1410 S HN 0.063 nan 8.310 nan 0.000 0.469 1411 L N 2.526 123.779 121.223 0.051 0.000 2.051 1411 L HA -0.231 4.108 4.340 -0.000 0.000 0.214 1411 L C 2.691 179.624 176.870 0.104 0.000 1.076 1411 L CA 1.550 56.404 54.840 0.024 0.000 0.758 1411 L CB -0.659 41.315 42.059 -0.142 0.000 0.890 1411 L HN 0.355 nan 8.230 nan 0.000 0.433 1412 Q N -0.755 119.081 119.800 0.060 0.000 2.096 1412 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 1412 Q C 2.056 178.103 176.000 0.079 0.000 0.982 1412 Q CA 2.080 57.919 55.803 0.059 0.000 0.850 1412 Q CB -0.350 28.411 28.738 0.038 0.000 0.901 1412 Q HN 0.739 nan 8.270 nan 0.000 0.422 1413 Q N 0.281 120.131 119.800 0.083 0.000 2.263 1413 Q HA -0.012 4.328 4.340 -0.000 0.000 0.196 1413 Q C 1.925 177.969 176.000 0.074 0.000 0.965 1413 Q CA 0.886 56.728 55.803 0.065 0.000 0.851 1413 Q CB -0.098 28.667 28.738 0.046 0.000 0.948 1413 Q HN 0.222 nan 8.270 nan 0.000 0.516 1414 R N -0.091 120.474 120.500 0.108 0.000 2.386 1414 R HA 0.089 4.429 4.340 -0.000 0.000 0.216 1414 R C 0.332 176.657 176.300 0.042 0.000 1.119 1414 R CA 0.793 56.935 56.100 0.070 0.000 1.158 1414 R CB -1.086 29.278 30.300 0.106 0.000 1.057 1414 R HN 0.490 nan 8.270 nan 0.000 0.489 1415 F N -1.399 118.544 119.950 -0.012 0.000 3.064 1415 F HA 0.218 4.745 4.527 -0.000 0.000 0.384 1415 F C 0.428 176.203 175.800 -0.041 0.000 1.083 1415 F CA -0.490 57.491 58.000 -0.032 0.000 1.037 1415 F CB 1.018 39.985 39.000 -0.055 0.000 1.322 1415 F HN 0.075 nan 8.300 nan 0.000 0.535 1416 K N 0.651 121.121 120.400 0.117 0.000 3.281 1416 K HA -0.175 4.144 4.320 -0.000 0.000 0.295 1416 K C -0.267 176.369 176.600 0.060 0.000 1.233 1416 K CA 0.417 56.742 56.287 0.063 0.000 0.866 1416 K CB -2.320 30.198 32.500 0.031 0.000 1.265 1416 K HN 0.314 nan 8.250 nan 0.000 0.482 1417 L N 2.192 123.463 121.223 0.081 0.000 2.380 1417 L HA 0.108 4.448 4.340 -0.000 0.000 0.273 1417 L C 1.346 178.239 176.870 0.038 0.000 1.138 1417 L CA -0.204 54.658 54.840 0.036 0.000 0.832 1417 L CB 1.001 43.067 42.059 0.010 0.000 1.124 1417 L HN 0.192 nan 8.230 nan 0.000 0.454 1418 S N 0.948 116.675 115.700 0.045 0.000 2.600 1418 S HA 0.070 4.540 4.470 -0.000 0.000 0.265 1418 S C 0.869 175.509 174.600 0.067 0.000 1.325 1418 S CA -0.683 57.570 58.200 0.088 0.000 1.002 1418 S CB 1.395 64.717 63.200 0.203 0.000 0.921 1418 S HN 0.701 nan 8.310 nan 0.000 0.554 1419 E N 1.224 121.458 120.200 0.056 0.000 2.070 1419 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 1419 E C 1.886 178.511 176.600 0.042 0.000 1.004 1419 E CA 1.656 58.077 56.400 0.035 0.000 0.805 1419 E CB -0.150 29.564 29.700 0.023 0.000 0.744 1419 E HN 0.662 nan 8.360 nan 0.000 0.451 1420 K N 0.283 120.726 120.400 0.072 0.000 1.978 1420 K HA -0.226 4.093 4.320 -0.000 0.000 0.214 1420 K C 2.314 178.969 176.600 0.091 0.000 1.049 1420 K CA 1.898 58.237 56.287 0.087 0.000 0.939 1420 K CB -0.213 32.351 32.500 0.106 0.000 0.721 1420 K HN 0.116 nan 8.250 nan 0.000 0.441 1421 Q N 0.099 119.970 119.800 0.119 0.000 2.226 1421 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 1421 Q C 2.119 178.105 176.000 -0.022 0.000 0.975 1421 Q CA 1.295 57.109 55.803 0.018 0.000 0.866 1421 Q CB -0.173 28.519 28.738 -0.077 0.000 0.915 1421 Q HN 0.386 nan 8.270 nan 0.000 0.440 1422 A N 0.843 123.654 122.820 -0.015 0.000 1.902 1422 A HA -0.243 4.076 4.320 -0.000 0.000 0.217 1422 A C 2.060 179.618 177.584 -0.043 0.000 1.181 1422 A CA 1.268 53.279 52.037 -0.044 0.000 0.623 1422 A CB -0.351 18.634 19.000 -0.025 0.000 0.818 1422 A HN 0.248 nan 8.150 nan 0.000 0.443 1423 Q N -0.567 119.222 119.800 -0.019 0.000 2.020 1423 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 1423 Q C 2.445 178.431 176.000 -0.023 0.000 0.982 1423 Q CA 1.635 57.428 55.803 -0.018 0.000 0.838 1423 Q CB -0.883 27.852 28.738 -0.005 0.000 0.899 1423 Q HN 0.648 nan 8.270 nan 0.000 0.423 1424 A N 0.529 123.341 122.820 -0.015 0.000 2.093 1424 A HA -0.187 4.133 4.320 -0.000 0.000 0.222 1424 A C 1.999 179.562 177.584 -0.035 0.000 1.162 1424 A CA 1.337 53.364 52.037 -0.016 0.000 0.655 1424 A CB -0.552 18.446 19.000 -0.003 0.000 0.805 1424 A HN 0.358 nan 8.150 nan 0.000 0.461 1425 I N -1.680 118.857 120.570 -0.056 0.000 3.039 1425 I HA -0.010 4.160 4.170 -0.000 0.000 0.270 1425 I C 2.039 178.114 176.117 -0.070 0.000 1.150 1425 I CA 0.148 61.401 61.300 -0.078 0.000 1.448 1425 I CB -0.207 37.717 38.000 -0.126 0.000 1.197 1425 I HN 0.185 nan 8.210 nan 0.000 0.450 1426 L N 0.970 122.153 121.223 -0.066 0.000 2.189 1426 L HA -0.220 4.120 4.340 -0.000 0.000 0.214 1426 L C 0.345 177.193 176.870 -0.037 0.000 1.097 1426 L CA 1.465 56.274 54.840 -0.052 0.000 0.764 1426 L CB -0.485 41.549 42.059 -0.042 0.000 0.900 1426 L HN 0.323 nan 8.230 nan 0.000 0.436 1427 D N -0.525 119.855 120.400 -0.033 0.000 2.894 1427 D HA 0.235 4.875 4.640 -0.000 0.000 0.273 1427 D C -0.068 176.218 176.300 -0.023 0.000 1.328 1427 D CA 0.264 54.250 54.000 -0.024 0.000 0.845 1427 D CB 0.491 41.281 40.800 -0.017 0.000 1.072 1427 D HN 0.094 nan 8.370 nan 0.000 0.484 1428 M N 0.790 120.373 119.600 -0.029 0.000 2.181 1428 M HA 0.329 4.809 4.480 -0.000 0.000 0.323 1428 M C -0.220 176.066 176.300 -0.023 0.000 1.004 1428 M CA -0.575 54.709 55.300 -0.026 0.000 0.941 1428 M CB 1.560 34.139 32.600 -0.035 0.000 1.579 1428 M HN -0.210 nan 8.290 nan 0.000 0.427 1429 R N 3.141 123.631 120.500 -0.017 0.000 2.784 1429 R HA 0.143 4.483 4.340 -0.000 0.000 0.266 1429 R C 0.872 177.163 176.300 -0.014 0.000 1.044 1429 R CA -0.267 55.825 56.100 -0.014 0.000 1.151 1429 R CB 0.428 30.722 30.300 -0.010 0.000 1.037 1429 R HN 0.835 nan 8.270 nan 0.000 0.478 1430 L N 1.627 122.843 121.223 -0.012 0.000 2.093 1430 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 1430 L C 2.442 179.307 176.870 -0.008 0.000 1.085 1430 L CA 1.295 56.129 54.840 -0.010 0.000 0.755 1430 L CB -0.444 41.610 42.059 -0.008 0.000 0.904 1430 L HN 0.626 nan 8.230 nan 0.000 0.435 1431 R N 0.276 120.772 120.500 -0.007 0.000 2.292 1431 R HA -0.258 4.082 4.340 -0.000 0.000 0.268 1431 R C 1.453 177.750 176.300 -0.005 0.000 1.150 1431 R CA 1.690 57.787 56.100 -0.005 0.000 0.993 1431 R CB -0.539 29.758 30.300 -0.005 0.000 0.901 1431 R HN 0.415 nan 8.270 nan 0.000 0.470 1432 R N 0.906 121.402 120.500 -0.007 0.000 3.081 1432 R HA 0.144 4.484 4.340 -0.000 0.000 0.280 1432 R C 1.082 177.378 176.300 -0.006 0.000 1.372 1432 R CA -0.084 56.012 56.100 -0.006 0.000 1.242 1432 R CB 0.239 30.534 30.300 -0.009 0.000 1.316 1432 R HN 0.265 nan 8.270 nan 0.000 0.585 1433 L N -0.562 120.658 121.223 -0.004 0.000 2.575 1433 L HA 0.089 4.429 4.340 -0.000 0.000 0.228 1433 L C 1.403 178.273 176.870 0.000 0.000 1.075 1433 L CA 0.180 55.018 54.840 -0.002 0.000 0.867 1433 L CB -0.284 41.774 42.059 -0.002 0.000 1.097 1433 L HN 0.243 nan 8.230 nan 0.000 0.485 1434 T N -1.577 112.977 114.554 -0.001 0.000 2.589 1434 T HA 0.097 4.447 4.350 -0.000 0.000 0.342 1434 T C 1.412 176.112 174.700 0.001 0.000 1.044 1434 T CA 0.214 62.314 62.100 0.000 0.000 1.020 1434 T CB 0.766 69.634 68.868 -0.000 0.000 1.070 1434 T HN 0.172 nan 8.240 nan 0.000 0.524 1435 G N -0.095 108.705 108.800 0.001 0.000 2.605 1435 G HA2 0.024 3.984 3.960 -0.000 0.000 0.215 1435 G HA3 0.024 3.984 3.960 -0.000 0.000 0.215 1435 G C 1.409 176.310 174.900 0.002 0.000 1.279 1435 G CA 0.605 45.705 45.100 0.001 0.000 0.831 1435 G HN 0.595 nan 8.290 nan 0.000 0.560 1436 L N 0.838 122.062 121.223 0.002 0.000 1.991 1436 L HA -0.175 4.165 4.340 -0.000 0.000 0.221 1436 L C 2.845 179.716 176.870 0.002 0.000 1.079 1436 L CA 1.987 56.829 54.840 0.002 0.000 0.778 1436 L CB -0.467 41.593 42.059 0.002 0.000 0.893 1436 L HN 0.171 nan 8.230 nan 0.000 0.437 1437 E N -0.418 119.783 120.200 0.001 0.000 2.331 1437 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 1437 E C 2.451 179.051 176.600 0.001 0.000 1.008 1437 E CA 1.376 57.777 56.400 0.001 0.000 0.843 1437 E CB -0.386 29.313 29.700 -0.001 0.000 0.761 1437 E HN 0.614 nan 8.360 nan 0.000 0.507 1438 R N 1.312 121.812 120.500 0.001 0.000 2.276 1438 R HA -0.009 4.331 4.340 -0.000 0.000 0.196 1438 R C 1.334 177.635 176.300 0.002 0.000 0.961 1438 R CA 1.185 57.286 56.100 0.000 0.000 1.024 1438 R CB -0.432 29.868 30.300 0.000 0.000 0.940 1438 R HN 0.177 nan 8.270 nan 0.000 0.480 1439 D N -0.411 119.992 120.400 0.005 0.000 2.449 1439 D HA 0.034 4.673 4.640 -0.000 0.000 0.210 1439 D C 0.878 177.186 176.300 0.013 0.000 1.094 1439 D CA -0.004 54.001 54.000 0.008 0.000 0.846 1439 D CB 0.470 41.274 40.800 0.006 0.000 1.003 1439 D HN 0.407 nan 8.370 nan 0.000 0.504 1440 K N 0.864 121.271 120.400 0.011 0.000 2.217 1440 K HA 0.065 4.385 4.320 -0.000 0.000 0.202 1440 K C 2.181 178.793 176.600 0.021 0.000 1.051 1440 K CA 0.308 56.603 56.287 0.013 0.000 0.952 1440 K CB 0.619 33.123 32.500 0.007 0.000 0.736 1440 K HN 0.153 nan 8.250 nan 0.000 0.453 1441 I N 1.253 121.836 120.570 0.022 0.000 2.133 1441 I HA -0.242 3.928 4.170 -0.000 0.000 0.238 1441 I C 2.494 178.649 176.117 0.064 0.000 1.074 1441 I CA 1.301 62.623 61.300 0.037 0.000 1.342 1441 I CB -0.225 37.788 38.000 0.021 0.000 1.053 1441 I HN 0.149 nan 8.210 nan 0.000 0.404 1442 E N 1.405 121.628 120.200 0.039 0.000 2.048 1442 E HA -0.262 4.088 4.350 -0.000 0.000 0.202 1442 E C 2.063 178.713 176.600 0.084 0.000 1.021 1442 E CA 2.203 58.631 56.400 0.046 0.000 0.825 1442 E CB -0.355 29.354 29.700 0.015 0.000 0.756 1442 E HN 0.447 nan 8.360 nan 0.000 0.454 1443 A N 0.324 123.177 122.820 0.055 0.000 2.019 1443 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 1443 A C 2.165 179.782 177.584 0.055 0.000 1.164 1443 A CA 1.862 53.928 52.037 0.050 0.000 0.644 1443 A CB -0.583 18.434 19.000 0.028 0.000 0.805 1443 A HN 0.447 nan 8.150 nan 0.000 0.449 1444 E N -1.966 118.271 120.200 0.061 0.000 2.170 1444 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 1444 E C 1.745 178.378 176.600 0.056 0.000 0.981 1444 E CA 0.721 57.144 56.400 0.039 0.000 0.830 1444 E CB -0.269 29.447 29.700 0.026 0.000 0.775 1444 E HN 0.692 nan 8.360 nan 0.000 0.470 1445 Y N 2.213 122.509 120.300 -0.008 0.000 2.163 1445 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 1445 Y C 1.932 177.835 175.900 0.005 0.000 1.136 1445 Y CA 2.103 60.201 58.100 -0.003 0.000 1.147 1445 Y CB -0.214 38.244 38.460 -0.004 0.000 0.987 1445 Y HN 0.089 nan 8.280 nan 0.000 0.509 1446 N N 0.635 119.481 118.700 0.244 0.000 2.069 1446 N HA -0.205 4.535 4.740 -0.000 0.000 0.191 1446 N C 1.619 177.142 175.510 0.022 0.000 1.031 1446 N CA 2.051 55.193 53.050 0.154 0.000 0.852 1446 N CB -0.505 38.062 38.487 0.134 0.000 1.018 1446 N HN 0.580 nan 8.380 nan 0.000 0.423 1447 E N 0.874 121.081 120.200 0.012 0.000 2.204 1447 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 1447 E C 1.977 178.569 176.600 -0.013 0.000 0.989 1447 E CA 0.196 56.598 56.400 0.004 0.000 0.824 1447 E CB -0.050 29.651 29.700 0.000 0.000 0.756 1447 E HN 0.265 nan 8.360 nan 0.000 0.477 1448 L N 0.682 121.857 121.223 -0.080 0.000 2.362 1448 L HA -0.144 4.196 4.340 -0.000 0.000 0.219 1448 L C 1.931 178.755 176.870 -0.077 0.000 1.134 1448 L CA 0.700 55.483 54.840 -0.094 0.000 0.807 1448 L CB -0.107 41.836 42.059 -0.192 0.000 0.927 1448 L HN 0.245 nan 8.230 nan 0.000 0.447 1449 L N -1.198 119.956 121.223 -0.114 0.000 2.131 1449 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 1449 L C 1.872 178.739 176.870 -0.005 0.000 1.087 1449 L CA 1.246 56.040 54.840 -0.076 0.000 0.767 1449 L CB -0.534 41.485 42.059 -0.066 0.000 0.917 1449 L HN 0.289 nan 8.230 nan 0.000 0.441 1450 N N -1.166 117.548 118.700 0.022 0.000 2.331 1450 N HA -0.186 4.554 4.740 -0.000 0.000 0.180 1450 N C 1.697 177.247 175.510 0.068 0.000 1.019 1450 N CA 0.618 53.692 53.050 0.039 0.000 0.881 1450 N CB -0.095 38.418 38.487 0.045 0.000 0.972 1450 N HN 0.206 nan 8.380 nan 0.000 0.435 1451 Y N 1.808 122.081 120.300 -0.044 0.000 2.114 1451 Y HA -0.030 4.520 4.550 -0.000 0.000 0.284 1451 Y C 1.936 177.811 175.900 -0.042 0.000 1.119 1451 Y CA 1.234 59.309 58.100 -0.041 0.000 1.108 1451 Y CB -0.292 38.139 38.460 -0.048 0.000 0.995 1451 Y HN -0.065 nan 8.280 nan 0.000 0.491 1452 I N -0.890 119.711 120.570 0.052 0.000 2.335 1452 I HA -0.356 3.814 4.170 -0.000 0.000 0.251 1452 I C 2.722 178.797 176.117 -0.069 0.000 1.129 1452 I CA 1.493 62.774 61.300 -0.031 0.000 1.402 1452 I CB -0.892 37.102 38.000 -0.010 0.000 1.069 1452 I HN 0.214 nan 8.210 nan 0.000 0.424 1453 S N 1.056 116.727 115.700 -0.048 0.000 2.389 1453 S HA -0.307 4.163 4.470 -0.000 0.000 0.229 1453 S C 1.967 176.515 174.600 -0.087 0.000 1.048 1453 S CA 2.266 60.435 58.200 -0.051 0.000 1.117 1453 S CB -0.324 62.859 63.200 -0.028 0.000 1.020 1453 S HN 0.521 nan 8.310 nan 0.000 0.430 1454 E N 0.729 120.850 120.200 -0.133 0.000 2.023 1454 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 1454 E C 2.296 178.778 176.600 -0.198 0.000 1.003 1454 E CA 1.720 58.015 56.400 -0.175 0.000 0.809 1454 E CB -0.433 29.112 29.700 -0.259 0.000 0.755 1454 E HN 0.529 nan 8.360 nan 0.000 0.449 1455 L N 0.888 121.941 121.223 -0.283 0.000 1.970 1455 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 1455 L C 2.362 179.158 176.870 -0.123 0.000 1.071 1455 L CA 1.492 56.199 54.840 -0.222 0.000 0.751 1455 L CB -0.768 41.145 42.059 -0.244 0.000 0.889 1455 L HN 0.136 nan 8.230 nan 0.000 0.432 1456 E N -0.542 119.599 120.200 -0.099 0.000 2.333 1456 E HA -0.187 4.162 4.350 -0.000 0.000 0.200 1456 E C 1.953 178.518 176.600 -0.058 0.000 1.010 1456 E CA 1.450 57.812 56.400 -0.063 0.000 0.841 1456 E CB -0.075 29.595 29.700 -0.049 0.000 0.757 1456 E HN 0.483 nan 8.360 nan 0.000 0.508 1457 T N 0.229 114.740 114.554 -0.071 0.000 2.953 1457 T HA 0.061 4.411 4.350 -0.000 0.000 0.247 1457 T C 1.862 176.527 174.700 -0.058 0.000 1.029 1457 T CA 0.288 62.353 62.100 -0.059 0.000 1.144 1457 T CB 0.083 68.914 68.868 -0.061 0.000 0.870 1457 T HN 0.063 nan 8.240 nan 0.000 0.446 1458 I N 0.858 121.384 120.570 -0.074 0.000 2.315 1458 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 1458 I C 2.124 178.209 176.117 -0.054 0.000 1.117 1458 I CA 0.933 62.193 61.300 -0.066 0.000 1.404 1458 I CB -0.281 37.670 38.000 -0.082 0.000 1.071 1458 I HN 0.166 nan 8.210 nan 0.000 0.419 1459 L N 0.686 121.876 121.223 -0.055 0.000 1.961 1459 L HA -0.156 4.183 4.340 -0.000 0.000 0.210 1459 L C 2.228 179.076 176.870 -0.036 0.000 1.072 1459 L CA 1.364 56.179 54.840 -0.043 0.000 0.749 1459 L CB -0.584 41.451 42.059 -0.040 0.000 0.889 1459 L HN 0.195 nan 8.230 nan 0.000 0.432 1460 A N -0.890 121.909 122.820 -0.035 0.000 2.028 1460 A HA -0.070 4.250 4.320 -0.000 0.000 0.207 1460 A C -0.137 177.431 177.584 -0.028 0.000 1.396 1460 A CA 0.773 52.792 52.037 -0.029 0.000 1.257 1460 A CB -0.896 18.088 19.000 -0.028 0.000 0.752 1460 A HN 0.438 nan 8.150 nan 0.000 0.549 1461 D N -1.275 119.108 120.400 -0.029 0.000 2.726 1461 D HA 0.071 4.711 4.640 -0.000 0.000 0.203 1461 D C 0.415 176.699 176.300 -0.028 0.000 1.297 1461 D CA -0.414 53.571 54.000 -0.027 0.000 0.863 1461 D CB 0.768 41.551 40.800 -0.027 0.000 1.669 1461 D HN 0.087 nan 8.370 nan 0.000 0.561 1462 E N 1.621 121.806 120.200 -0.025 0.000 2.333 1462 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 1462 E C 0.994 177.579 176.600 -0.026 0.000 1.007 1462 E CA 0.903 57.287 56.400 -0.026 0.000 0.845 1462 E CB 0.581 30.267 29.700 -0.023 0.000 0.766 1462 E HN 0.524 nan 8.360 nan 0.000 0.507 1463 E N 0.053 120.238 120.200 -0.024 0.000 2.244 1463 E HA -0.057 4.293 4.350 -0.000 0.000 0.196 1463 E C 1.940 178.527 176.600 -0.023 0.000 0.939 1463 E CA 0.462 56.848 56.400 -0.022 0.000 0.884 1463 E CB 0.176 29.864 29.700 -0.019 0.000 0.850 1463 E HN -0.004 nan 8.360 nan 0.000 0.481 1464 V N 1.316 121.214 119.914 -0.026 0.000 2.379 1464 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 1464 V C 2.421 178.497 176.094 -0.030 0.000 1.044 1464 V CA 1.397 63.680 62.300 -0.028 0.000 1.036 1464 V CB -0.823 30.980 31.823 -0.034 0.000 0.664 1464 V HN 0.310 nan 8.190 nan 0.000 0.453 1465 L N 0.276 121.479 121.223 -0.034 0.000 2.129 1465 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 1465 L C 2.106 178.957 176.870 -0.032 0.000 1.087 1465 L CA 1.912 56.730 54.840 -0.036 0.000 0.757 1465 L CB -0.782 41.254 42.059 -0.038 0.000 0.896 1465 L HN 0.335 nan 8.230 nan 0.000 0.434 1466 L N -0.805 120.401 121.223 -0.029 0.000 2.240 1466 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 1466 L C 2.306 179.165 176.870 -0.018 0.000 1.106 1466 L CA 1.736 56.561 54.840 -0.025 0.000 0.793 1466 L CB -0.672 41.373 42.059 -0.024 0.000 0.927 1466 L HN 0.528 nan 8.230 nan 0.000 0.446 1467 Q N -1.327 118.463 119.800 -0.017 0.000 2.354 1467 Q HA -0.050 4.289 4.340 -0.000 0.000 0.203 1467 Q C 1.902 177.896 176.000 -0.009 0.000 0.933 1467 Q CA 0.875 56.671 55.803 -0.011 0.000 0.901 1467 Q CB -0.217 28.514 28.738 -0.012 0.000 1.007 1467 Q HN 0.428 nan 8.270 nan 0.000 0.495 1468 L N -0.496 120.718 121.223 -0.014 0.000 2.017 1468 L HA -0.116 4.223 4.340 -0.000 0.000 0.208 1468 L C 1.886 178.755 176.870 -0.002 0.000 1.073 1468 L CA 1.595 56.428 54.840 -0.011 0.000 0.745 1468 L CB -0.813 41.234 42.059 -0.019 0.000 0.894 1468 L HN 0.150 nan 8.230 nan 0.000 0.432 1469 V N 0.126 120.036 119.914 -0.007 0.000 2.233 1469 V HA -0.348 3.771 4.120 -0.000 0.000 0.247 1469 V C 2.765 178.868 176.094 0.015 0.000 1.050 1469 V CA 2.303 64.603 62.300 0.000 0.000 1.010 1469 V CB -0.681 31.133 31.823 -0.015 0.000 0.637 1469 V HN 0.472 nan 8.190 nan 0.000 0.444 1470 R N -0.227 120.278 120.500 0.010 0.000 2.094 1470 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 1470 R C 2.106 178.417 176.300 0.019 0.000 1.137 1470 R CA 2.121 58.231 56.100 0.016 0.000 0.943 1470 R CB -0.685 29.619 30.300 0.007 0.000 0.850 1470 R HN 0.571 nan 8.270 nan 0.000 0.433 1471 D N 0.417 120.825 120.400 0.014 0.000 2.087 1471 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 1471 D C 1.791 178.106 176.300 0.025 0.000 0.993 1471 D CA 1.254 55.263 54.000 0.015 0.000 0.828 1471 D CB -0.355 40.451 40.800 0.010 0.000 0.968 1471 D HN 0.318 nan 8.370 nan 0.000 0.448 1472 E N -0.029 120.188 120.200 0.028 0.000 2.171 1472 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 1472 E C 2.222 178.856 176.600 0.058 0.000 0.997 1472 E CA 0.482 56.907 56.400 0.041 0.000 0.810 1472 E CB -0.045 29.679 29.700 0.039 0.000 0.738 1472 E HN 0.321 nan 8.360 nan 0.000 0.467 1473 L N -0.018 121.241 121.223 0.060 0.000 2.209 1473 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 1473 L C 2.275 179.179 176.870 0.057 0.000 1.094 1473 L CA 0.771 55.658 54.840 0.077 0.000 0.790 1473 L CB -0.080 42.034 42.059 0.091 0.000 0.932 1473 L HN 0.068 nan 8.230 nan 0.000 0.447 1474 T N -0.882 113.696 114.554 0.040 0.000 3.035 1474 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 1474 T C 1.732 176.446 174.700 0.023 0.000 1.109 1474 T CA 0.899 63.014 62.100 0.026 0.000 1.119 1474 T CB 0.005 68.883 68.868 0.018 0.000 0.900 1474 T HN 0.329 nan 8.240 nan 0.000 0.503 1475 E N 0.676 120.894 120.200 0.030 0.000 2.250 1475 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 1475 E C 1.926 178.551 176.600 0.041 0.000 0.986 1475 E CA 0.263 56.678 56.400 0.025 0.000 0.849 1475 E CB 0.065 29.780 29.700 0.026 0.000 0.797 1475 E HN 0.313 nan 8.360 nan 0.000 0.482 1476 I N 1.840 122.453 120.570 0.073 0.000 2.060 1476 I HA -0.276 3.894 4.170 -0.000 0.000 0.233 1476 I C 2.855 179.026 176.117 0.089 0.000 1.054 1476 I CA 1.232 62.606 61.300 0.124 0.000 1.318 1476 I CB -1.363 36.694 38.000 0.096 0.000 1.054 1476 I HN 0.228 nan 8.210 nan 0.000 0.395 1477 R N 0.927 121.452 120.500 0.041 0.000 2.190 1477 R HA -0.285 4.055 4.340 -0.000 0.000 0.255 1477 R C 1.790 178.095 176.300 0.008 0.000 1.143 1477 R CA 2.585 58.694 56.100 0.016 0.000 0.965 1477 R CB -0.444 29.863 30.300 0.013 0.000 0.889 1477 R HN 0.364 nan 8.270 nan 0.000 0.448 1478 D N -0.860 119.542 120.400 0.003 0.000 2.221 1478 D HA -0.166 4.474 4.640 -0.000 0.000 0.204 1478 D C 1.929 178.196 176.300 -0.054 0.000 0.982 1478 D CA 1.238 55.227 54.000 -0.018 0.000 0.857 1478 D CB -0.041 40.749 40.800 -0.017 0.000 0.934 1478 D HN 0.371 nan 8.370 nan 0.000 0.475 1479 R N -1.677 118.779 120.500 -0.073 0.000 2.310 1479 R HA 0.124 4.463 4.340 -0.000 0.000 0.199 1479 R C 0.844 176.930 176.300 -0.356 0.000 0.891 1479 R CA 0.113 56.079 56.100 -0.224 0.000 1.060 1479 R CB 0.267 30.396 30.300 -0.285 0.000 1.188 1479 R HN -0.018 nan 8.270 nan 0.000 0.607 1480 F N 0.237 120.110 119.950 -0.129 0.000 2.654 1480 F HA 0.452 4.979 4.527 -0.000 0.000 0.303 1480 F C 0.701 176.400 175.800 -0.168 0.000 1.099 1480 F CA -0.272 57.620 58.000 -0.181 0.000 1.270 1480 F CB 1.371 40.177 39.000 -0.323 0.000 1.024 1480 F HN 0.007 nan 8.300 nan 0.000 0.548 1481 G N 0.441 109.262 108.800 0.036 0.000 2.367 1481 G HA2 0.502 4.462 3.960 -0.000 0.000 0.314 1481 G HA3 0.502 4.462 3.960 -0.000 0.000 0.314 1481 G C -1.162 173.776 174.900 0.064 0.000 1.130 1481 G CA -0.288 44.833 45.100 0.034 0.000 0.864 1481 G HN 0.125 nan 8.290 nan 0.000 0.486 1482 D N 0.529 120.995 120.400 0.110 0.000 2.592 1482 D HA 0.355 4.995 4.640 -0.000 0.000 0.263 1482 D C -0.638 175.704 176.300 0.070 0.000 1.132 1482 D CA -0.754 53.304 54.000 0.097 0.000 0.996 1482 D CB 0.757 41.641 40.800 0.140 0.000 1.442 1482 D HN 0.195 nan 8.370 nan 0.000 0.486 1483 D N -0.510 119.916 120.400 0.044 0.000 2.325 1483 D HA 0.120 4.760 4.640 -0.000 0.000 0.237 1483 D C 0.258 176.569 176.300 0.017 0.000 1.328 1483 D CA 0.155 54.170 54.000 0.026 0.000 0.918 1483 D CB 0.439 41.250 40.800 0.018 0.000 1.156 1483 D HN 0.355 nan 8.370 nan 0.000 0.485 1484 R N 0.154 120.656 120.500 0.003 0.000 2.349 1484 R HA 0.311 4.651 4.340 -0.000 0.000 0.299 1484 R C 0.469 176.759 176.300 -0.016 0.000 1.027 1484 R CA -0.326 55.764 56.100 -0.016 0.000 0.958 1484 R CB 0.686 30.976 30.300 -0.018 0.000 1.047 1484 R HN 0.352 nan 8.270 nan 0.000 0.468 1485 R N 1.200 121.681 120.500 -0.031 0.000 2.195 1485 R HA 0.129 4.468 4.340 -0.000 0.000 0.197 1485 R C 0.051 176.356 176.300 0.008 0.000 0.990 1485 R CA 0.329 56.423 56.100 -0.010 0.000 1.048 1485 R CB 0.464 30.757 30.300 -0.012 0.000 0.997 1485 R HN 0.468 nan 8.270 nan 0.000 0.502 1486 T N 1.813 116.362 114.554 -0.009 0.000 2.780 1486 T HA 0.085 4.435 4.350 -0.000 0.000 0.294 1486 T C -0.555 174.150 174.700 0.009 0.000 0.949 1486 T CA -0.264 61.853 62.100 0.029 0.000 1.074 1486 T CB 1.405 70.296 68.868 0.037 0.000 0.910 1486 T HN 0.113 nan 8.240 nan 0.000 0.501 1487 E N 4.018 124.232 120.200 0.024 0.000 2.167 1487 E HA 0.287 4.637 4.350 -0.000 0.000 0.284 1487 E C -0.715 175.890 176.600 0.008 0.000 1.016 1487 E CA -0.529 55.878 56.400 0.011 0.000 0.817 1487 E CB 0.529 30.237 29.700 0.013 0.000 1.080 1487 E HN 0.557 nan 8.360 nan 0.000 0.397 1488 I N 5.463 126.032 120.570 -0.001 0.000 2.287 1488 I HA 0.106 4.275 4.170 -0.000 0.000 0.290 1488 I C 0.196 176.309 176.117 -0.006 0.000 1.069 1488 I CA -0.247 61.050 61.300 -0.005 0.000 1.237 1488 I CB 0.755 38.749 38.000 -0.010 0.000 1.418 1488 I HN 0.449 nan 8.210 nan 0.000 0.481 1489 Q N 6.187 125.980 119.800 -0.010 0.000 2.226 1489 Q HA 0.728 5.068 4.340 -0.000 0.000 0.256 1489 Q C -0.852 175.138 176.000 -0.017 0.000 0.962 1489 Q CA -0.852 54.943 55.803 -0.014 0.000 0.887 1489 Q CB 2.681 31.408 28.738 -0.019 0.000 1.282 1489 Q HN 0.439 nan 8.270 nan 0.000 0.449 1490 L N -1.778 119.436 121.223 -0.015 0.000 2.305 1490 L HA 0.968 5.308 4.340 -0.000 0.000 0.239 1490 L C 0.150 177.011 176.870 -0.014 0.000 1.146 1490 L CA -0.494 54.337 54.840 -0.015 0.000 1.038 1490 L CB 0.193 42.245 42.059 -0.011 0.000 1.591 1490 L HN 0.779 nan 8.230 nan 0.000 0.438 1491 G N 0.000 108.793 108.800 -0.012 0.000 5.446 1491 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1491 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1491 G CA 0.000 45.094 45.100 -0.009 0.000 0.502 1491 G HN 0.000 nan 8.290 nan 0.000 0.925