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 2v7q_1_E DATA FIRST_RESID 10 DATA SEQUENCE TGRIVAVIGA VVDVQFDEGL PPILNALEVQ GRETRLVLEV AQHLGESTVR DATA SEQUENCE TIAMDGTEGL VRGQKVLDSG APIRIPVGPE TLGRIMNVIG EPIDERGPIK DATA SEQUENCE TKQFAAIHAE APEFVEMSVE QEILVTGIKV VDLLAPYAKG GKIGLFGGAG DATA SEQUENCE VGKTVLIMEL INNVAKAHGG YSVFAGVGER TREGNDLYHE MIESGVINLK DATA SEQUENCE DATSKVALVY GQMNEPPGAR ARVALTGLTV AEYFRDQEGQ DVLLFIDNIF DATA SEQUENCE RFTQAGSEVS ALLGRIPSAV GYQPTLATDM GTMQERITTT KKGSITSVQA DATA SEQUENCE IYVPADDLTD PAPATTFAHL DATTVLSRAI AELGIYPAVD PLDSTSRIMD DATA SEQUENCE PNIVGSEHYD VARGVQKILQ DYKSLQDIIA ILGMDELSEE DKLTVSRARK DATA SEQUENCE IQRFLSQPFQ VAEVFTGHLG KLVPLKETIK GFQQILAGEY DHLPEQAFYM DATA SEQUENCE VGPIEEAVAK ADKLA 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.593 174.700 -0.179 0.000 1.109 10 T CA 0.000 62.122 62.100 0.037 0.000 1.349 10 T CB 0.000 68.864 68.868 -0.008 0.000 0.612 11 G N 1.808 110.248 108.800 -0.601 0.000 2.547 11 G HA2 0.768 4.728 3.960 -0.000 0.000 0.291 11 G HA3 0.768 4.728 3.960 -0.000 0.000 0.291 11 G C -0.666 173.896 174.900 -0.562 0.000 1.211 11 G CA -0.762 43.599 45.100 -1.232 0.000 0.950 11 G HN 0.641 nan 8.290 nan 0.000 0.504 12 R N -0.777 119.444 120.500 -0.464 0.000 2.628 12 R HA 0.306 4.646 4.340 -0.000 0.000 0.288 12 R C -0.446 175.736 176.300 -0.197 0.000 0.980 12 R CA -0.776 55.177 56.100 -0.245 0.000 0.891 12 R CB 2.338 32.537 30.300 -0.170 0.000 1.188 12 R HN 0.400 nan 8.270 nan 0.000 0.450 13 I N 3.509 124.001 120.570 -0.129 0.000 2.668 13 I HA -0.095 4.075 4.170 -0.000 0.000 0.285 13 I C 1.559 177.637 176.117 -0.066 0.000 1.168 13 I CA 0.251 61.502 61.300 -0.082 0.000 1.424 13 I CB 0.819 38.787 38.000 -0.053 0.000 1.377 13 I HN 0.562 nan 8.210 nan 0.000 0.560 14 V N 3.106 122.990 119.914 -0.051 0.000 3.570 14 V HA 0.568 4.688 4.120 -0.000 0.000 0.257 14 V C 0.580 176.660 176.094 -0.022 0.000 1.272 14 V CA 0.417 62.695 62.300 -0.036 0.000 1.079 14 V CB 0.214 32.016 31.823 -0.034 0.000 0.829 14 V HN 0.724 nan 8.190 nan 0.000 0.454 15 A N -0.151 122.659 122.820 -0.017 0.000 2.574 15 A HA 0.831 5.151 4.320 -0.000 0.000 0.297 15 A C -1.252 176.328 177.584 -0.007 0.000 1.062 15 A CA -0.395 51.636 52.037 -0.010 0.000 0.686 15 A CB 2.261 21.259 19.000 -0.005 0.000 1.285 15 A HN 0.638 nan 8.150 nan 0.000 0.403 16 V N 2.137 122.047 119.914 -0.006 0.000 2.612 16 V HA 0.548 4.668 4.120 -0.000 0.000 0.301 16 V C -0.890 175.203 176.094 -0.002 0.000 1.059 16 V CA -0.097 62.201 62.300 -0.003 0.000 0.886 16 V CB 1.391 33.211 31.823 -0.005 0.000 1.007 16 V HN 0.725 nan 8.190 nan 0.000 0.426 17 I N 4.125 124.695 120.570 -0.000 0.000 2.560 17 I HA 0.607 4.777 4.170 -0.000 0.000 0.278 17 I C 0.943 177.060 176.117 -0.001 0.000 1.089 17 I CA -0.061 61.238 61.300 -0.001 0.000 1.086 17 I CB 1.436 39.436 38.000 -0.001 0.000 1.202 17 I HN 0.874 nan 8.210 nan 0.000 0.471 18 G N 4.680 113.479 108.800 -0.001 0.000 2.611 18 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.301 18 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.301 18 G C 0.792 175.693 174.900 0.001 0.000 1.233 18 G CA 0.527 45.626 45.100 -0.001 0.000 0.993 18 G HN 0.896 nan 8.290 nan 0.000 0.553 19 A N -0.631 122.190 122.820 0.001 0.000 2.276 19 A HA 0.578 4.898 4.320 -0.000 0.000 0.212 19 A C 0.744 178.332 177.584 0.007 0.000 1.230 19 A CA 1.367 53.406 52.037 0.004 0.000 0.844 19 A CB -0.071 18.930 19.000 0.002 0.000 0.860 19 A HN 1.407 nan 8.150 nan 0.000 0.486 20 V N 0.872 120.790 119.914 0.006 0.000 2.370 20 V HA 0.398 4.518 4.120 -0.000 0.000 0.283 20 V C -0.564 175.537 176.094 0.011 0.000 1.023 20 V CA -0.459 61.847 62.300 0.010 0.000 0.857 20 V CB 1.441 33.268 31.823 0.007 0.000 0.985 20 V HN 0.077 nan 8.190 nan 0.000 0.443 21 V N 3.916 123.840 119.914 0.017 0.000 2.487 21 V HA 0.490 4.610 4.120 -0.000 0.000 0.298 21 V C -0.772 175.335 176.094 0.022 0.000 1.028 21 V CA -0.771 61.538 62.300 0.015 0.000 0.860 21 V CB 2.036 33.868 31.823 0.016 0.000 0.991 21 V HN 0.792 nan 8.190 nan 0.000 0.427 22 D N 3.147 123.555 120.400 0.014 0.000 2.177 22 D HA 0.640 5.280 4.640 -0.000 0.000 0.247 22 D C -0.569 175.734 176.300 0.004 0.000 1.063 22 D CA -0.069 53.942 54.000 0.019 0.000 0.867 22 D CB 2.292 43.099 40.800 0.012 0.000 1.168 22 D HN 0.276 nan 8.370 nan 0.000 0.445 23 V N 1.975 121.901 119.914 0.020 0.000 2.686 23 V HA 0.286 4.406 4.120 -0.000 0.000 0.306 23 V C -0.253 175.822 176.094 -0.032 0.000 1.065 23 V CA -0.899 61.379 62.300 -0.038 0.000 0.894 23 V CB 2.057 33.876 31.823 -0.006 0.000 1.004 23 V HN 0.392 nan 8.190 nan 0.000 0.424 24 Q N 2.574 122.286 119.800 -0.146 0.000 2.256 24 Q HA 0.663 5.003 4.340 -0.000 0.000 0.257 24 Q C -1.900 173.948 176.000 -0.255 0.000 0.936 24 Q CA -0.459 55.289 55.803 -0.092 0.000 0.903 24 Q CB 1.552 30.246 28.738 -0.074 0.000 1.263 24 Q HN 0.643 nan 8.270 nan 0.000 0.440 25 F N 1.806 121.726 119.950 -0.051 0.000 2.507 25 F HA 0.222 4.749 4.527 -0.000 0.000 0.325 25 F C 0.564 176.339 175.800 -0.042 0.000 1.116 25 F CA -0.682 57.290 58.000 -0.046 0.000 0.930 25 F CB 1.801 40.767 39.000 -0.057 0.000 1.146 25 F HN 0.616 nan 8.300 nan 0.000 0.447 26 D N 1.250 121.720 120.400 0.115 0.000 2.183 26 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 26 D C 1.296 177.636 176.300 0.067 0.000 0.969 26 D CA 1.420 55.458 54.000 0.063 0.000 0.842 26 D CB 0.371 41.188 40.800 0.028 0.000 0.957 26 D HN 0.655 nan 8.370 nan 0.000 0.484 27 E N -1.366 118.890 120.200 0.093 0.000 3.701 27 E HA 0.238 4.588 4.350 -0.000 0.000 0.206 27 E C 0.985 177.602 176.600 0.028 0.000 1.229 27 E CA 0.228 56.659 56.400 0.051 0.000 1.573 27 E CB 0.229 29.951 29.700 0.037 0.000 1.449 27 E HN 0.012 nan 8.360 nan 0.000 0.618 28 G N 1.791 110.611 108.800 0.033 0.000 3.064 28 G HA2 0.318 4.278 3.960 -0.000 0.000 0.286 28 G HA3 0.318 4.278 3.960 -0.000 0.000 0.286 28 G C -0.570 174.189 174.900 -0.235 0.000 0.834 28 G CA -0.302 44.763 45.100 -0.059 0.000 1.856 28 G HN -0.026 nan 8.290 nan 0.000 0.559 29 L N 4.164 125.252 121.223 -0.225 0.000 2.534 29 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 29 L C -1.497 175.137 176.870 -0.393 0.000 1.178 29 L CA -1.516 53.088 54.840 -0.392 0.000 0.907 29 L CB 0.445 42.330 42.059 -0.290 0.000 1.164 29 L HN 0.241 nan 8.230 nan 0.000 0.482 30 P HA 0.189 nan 4.420 nan 0.000 0.276 30 P C -2.634 174.658 177.300 -0.014 0.000 1.243 30 P CA -1.372 61.542 63.100 -0.310 0.000 0.768 30 P CB 0.199 31.663 31.700 -0.395 0.000 0.856 31 P HA 0.023 nan 4.420 nan 0.000 0.269 31 P C 0.611 177.927 177.300 0.027 0.000 1.211 31 P CA 0.235 63.371 63.100 0.059 0.000 0.781 31 P CB 0.603 32.292 31.700 -0.018 0.000 0.877 32 I N 2.192 122.705 120.570 -0.094 0.000 2.752 32 I HA -0.130 4.040 4.170 -0.000 0.000 0.287 32 I C 1.659 177.716 176.117 -0.101 0.000 1.188 32 I CA 0.543 61.781 61.300 -0.102 0.000 1.427 32 I CB -0.302 37.590 38.000 -0.180 0.000 1.365 32 I HN 0.445 nan 8.210 nan 0.000 0.585 33 L N 1.594 122.754 121.223 -0.105 0.000 4.610 33 L HA -0.256 4.084 4.340 -0.000 0.000 0.397 33 L C 0.272 177.118 176.870 -0.040 0.000 0.806 33 L CA 0.159 54.906 54.840 -0.154 0.000 2.169 33 L CB -1.555 40.313 42.059 -0.319 0.000 1.402 33 L HN 0.686 nan 8.230 nan 0.000 0.603 34 N N 1.286 119.976 118.700 -0.016 0.000 2.454 34 N HA 0.446 5.185 4.740 -0.000 0.000 0.254 34 N C 0.276 175.806 175.510 0.032 0.000 1.228 34 N CA 0.982 54.036 53.050 0.007 0.000 0.900 34 N CB 0.837 39.312 38.487 -0.019 0.000 1.089 34 N HN 0.322 nan 8.380 nan 0.000 0.449 35 A N 2.644 125.491 122.820 0.045 0.000 2.331 35 A HA 0.563 4.883 4.320 -0.000 0.000 0.283 35 A C -0.357 177.260 177.584 0.055 0.000 1.142 35 A CA -0.489 51.581 52.037 0.056 0.000 0.812 35 A CB 0.132 19.168 19.000 0.059 0.000 1.074 35 A HN 0.620 nan 8.150 nan 0.000 0.497 36 L N 2.048 123.314 121.223 0.072 0.000 2.346 36 L HA 0.507 4.847 4.340 -0.000 0.000 0.274 36 L C -0.367 176.546 176.870 0.072 0.000 1.007 36 L CA -0.732 54.165 54.840 0.096 0.000 0.818 36 L CB 1.837 43.987 42.059 0.150 0.000 1.284 36 L HN 0.622 nan 8.230 nan 0.000 0.424 37 E N 2.839 123.078 120.200 0.066 0.000 2.114 37 E HA 0.288 4.638 4.350 -0.000 0.000 0.266 37 E C -0.818 175.803 176.600 0.034 0.000 0.896 37 E CA -0.633 55.792 56.400 0.042 0.000 0.750 37 E CB 2.517 32.235 29.700 0.030 0.000 1.121 37 E HN 0.206 nan 8.360 nan 0.000 0.413 38 V N 4.020 123.949 119.914 0.024 0.000 2.521 38 V HA -0.037 4.083 4.120 -0.000 0.000 0.286 38 V C 0.699 176.795 176.094 0.003 0.000 1.034 38 V CA -0.259 62.046 62.300 0.009 0.000 1.045 38 V CB 0.509 32.335 31.823 0.006 0.000 0.974 38 V HN 0.478 nan 8.190 nan 0.000 0.480 39 Q N 2.643 122.440 119.800 -0.005 0.000 2.354 39 Q HA 0.400 4.740 4.340 -0.000 0.000 0.244 39 Q C 1.143 177.138 176.000 -0.008 0.000 0.969 39 Q CA 0.592 56.391 55.803 -0.006 0.000 0.885 39 Q CB 1.044 29.775 28.738 -0.011 0.000 1.241 39 Q HN 1.174 nan 8.270 nan 0.000 0.461 40 G N 1.872 110.668 108.800 -0.006 0.000 2.256 40 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.272 40 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.272 40 G C -0.132 174.765 174.900 -0.004 0.000 1.076 40 G CA 0.210 45.306 45.100 -0.006 0.000 0.882 40 G HN 0.426 nan 8.290 nan 0.000 0.497 41 R N -1.007 119.493 120.500 -0.001 0.000 2.750 41 R HA 0.451 4.791 4.340 -0.000 0.000 0.281 41 R C 0.691 176.992 176.300 0.002 0.000 0.972 41 R CA -1.002 55.099 56.100 0.001 0.000 0.912 41 R CB 1.063 31.364 30.300 0.002 0.000 1.187 41 R HN 0.058 nan 8.270 nan 0.000 0.464 42 E N 0.396 120.598 120.200 0.003 0.000 2.152 42 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 42 E C 0.680 177.283 176.600 0.005 0.000 0.983 42 E CA 1.259 57.661 56.400 0.003 0.000 0.818 42 E CB 0.149 29.851 29.700 0.003 0.000 0.758 42 E HN 0.684 nan 8.360 nan 0.000 0.467 43 T N -1.967 112.591 114.554 0.007 0.000 2.924 43 T HA 0.525 4.875 4.350 -0.000 0.000 0.291 43 T C 0.003 174.710 174.700 0.011 0.000 1.045 43 T CA -0.996 61.110 62.100 0.009 0.000 1.015 43 T CB 2.368 71.242 68.868 0.010 0.000 1.103 43 T HN -0.169 nan 8.240 nan 0.000 0.496 44 R N 0.736 121.244 120.500 0.013 0.000 2.458 44 R HA 0.359 4.698 4.340 -0.000 0.000 0.303 44 R C -0.931 175.380 176.300 0.018 0.000 1.013 44 R CA -0.440 55.670 56.100 0.016 0.000 1.026 44 R CB -0.206 30.106 30.300 0.019 0.000 0.948 44 R HN 0.568 nan 8.270 nan 0.000 0.417 45 L N 6.041 127.275 121.223 0.018 0.000 2.316 45 L HA 0.369 4.709 4.340 -0.000 0.000 0.280 45 L C -1.329 175.557 176.870 0.027 0.000 1.006 45 L CA -0.490 54.363 54.840 0.021 0.000 0.836 45 L CB 1.804 43.873 42.059 0.016 0.000 1.221 45 L HN 0.341 nan 8.230 nan 0.000 0.418 46 V N 6.327 126.260 119.914 0.033 0.000 2.427 46 V HA 0.468 4.588 4.120 -0.000 0.000 0.286 46 V C -0.007 176.114 176.094 0.045 0.000 1.034 46 V CA -0.525 61.799 62.300 0.041 0.000 0.893 46 V CB 1.566 33.416 31.823 0.045 0.000 0.982 46 V HN 0.589 nan 8.190 nan 0.000 0.452 47 L N 4.134 125.388 121.223 0.052 0.000 2.313 47 L HA 0.608 4.948 4.340 -0.000 0.000 0.283 47 L C 0.018 176.926 176.870 0.064 0.000 1.013 47 L CA -0.366 54.507 54.840 0.056 0.000 0.816 47 L CB 1.736 43.831 42.059 0.060 0.000 1.236 47 L HN 0.593 nan 8.230 nan 0.000 0.419 48 E N 2.244 122.480 120.200 0.060 0.000 2.146 48 E HA 0.326 4.676 4.350 -0.000 0.000 0.282 48 E C -0.929 175.699 176.600 0.046 0.000 0.989 48 E CA -0.772 55.664 56.400 0.060 0.000 0.799 48 E CB 1.800 31.545 29.700 0.075 0.000 1.088 48 E HN 0.347 nan 8.360 nan 0.000 0.397 49 V N 3.953 123.892 119.914 0.041 0.000 2.529 49 V HA 0.042 4.162 4.120 -0.000 0.000 0.292 49 V C 0.924 177.028 176.094 0.017 0.000 1.028 49 V CA 0.794 63.123 62.300 0.048 0.000 1.074 49 V CB 0.857 32.718 31.823 0.064 0.000 0.958 49 V HN 0.878 nan 8.190 nan 0.000 0.481 50 A N 4.038 126.876 122.820 0.029 0.000 2.026 50 A HA 0.330 4.649 4.320 -0.000 0.000 0.201 50 A C 0.717 178.304 177.584 0.005 0.000 1.318 50 A CA 0.237 52.276 52.037 0.003 0.000 0.857 50 A CB 0.378 19.383 19.000 0.007 0.000 0.939 50 A HN 0.774 nan 8.150 nan 0.000 0.476 51 Q N -1.114 118.720 119.800 0.056 0.000 2.462 51 Q HA 0.386 4.726 4.340 -0.000 0.000 0.285 51 Q C -1.698 174.434 176.000 0.221 0.000 1.035 51 Q CA -0.600 55.245 55.803 0.071 0.000 0.799 51 Q CB 1.848 30.616 28.738 0.051 0.000 1.452 51 Q HN 0.615 nan 8.270 nan 0.000 0.404 52 H N 1.683 120.750 119.070 -0.004 0.000 2.581 52 H HA 0.262 4.818 4.556 -0.000 0.000 0.308 52 H C 0.563 175.895 175.328 0.007 0.000 1.040 52 H CA -0.300 55.750 56.048 0.002 0.000 1.231 52 H CB 1.107 30.865 29.762 -0.008 0.000 1.396 52 H HN 0.430 nan 8.280 nan 0.000 0.467 53 L N 2.758 124.044 121.223 0.104 0.000 2.313 53 L HA 0.119 4.458 4.340 -0.000 0.000 0.214 53 L C 1.176 178.073 176.870 0.046 0.000 1.119 53 L CA 0.671 55.548 54.840 0.060 0.000 0.809 53 L CB -0.042 42.041 42.059 0.041 0.000 0.933 53 L HN 0.894 nan 8.230 nan 0.000 0.449 54 G N -0.377 108.449 108.800 0.043 0.000 2.612 54 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 54 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 54 G C -0.179 174.728 174.900 0.012 0.000 1.274 54 G CA -0.705 44.412 45.100 0.028 0.000 0.849 54 G HN 0.126 nan 8.290 nan 0.000 0.595 55 E N -0.886 119.319 120.200 0.009 0.000 2.238 55 E HA -0.260 4.090 4.350 -0.000 0.000 0.219 55 E C 1.047 177.649 176.600 0.002 0.000 1.275 55 E CA 1.683 58.086 56.400 0.005 0.000 0.714 55 E CB -1.714 27.989 29.700 0.005 0.000 1.154 55 E HN 1.963 nan 8.360 nan 0.000 0.363 56 S N -2.199 113.497 115.700 -0.007 0.000 3.561 56 S HA -0.190 4.280 4.470 -0.000 0.000 0.318 56 S C 0.223 174.832 174.600 0.016 0.000 1.181 56 S CA 1.535 59.732 58.200 -0.005 0.000 0.916 56 S CB -0.875 62.336 63.200 0.019 0.000 0.966 56 S HN 0.420 nan 8.310 nan 0.000 0.550 57 T N 1.320 115.872 114.554 -0.003 0.000 2.841 57 T HA 0.657 5.006 4.350 -0.000 0.000 0.283 57 T C 0.185 174.891 174.700 0.010 0.000 1.000 57 T CA -0.326 61.787 62.100 0.023 0.000 0.977 57 T CB 1.942 70.820 68.868 0.017 0.000 0.979 57 T HN 0.547 nan 8.240 nan 0.000 0.446 58 V N 1.116 121.064 119.914 0.057 0.000 2.815 58 V HA 0.784 4.904 4.120 -0.000 0.000 0.314 58 V C -0.343 175.801 176.094 0.083 0.000 1.064 58 V CA -1.388 60.955 62.300 0.072 0.000 0.952 58 V CB 1.780 33.653 31.823 0.084 0.000 1.020 58 V HN 0.848 nan 8.190 nan 0.000 0.439 59 R N 1.919 122.469 120.500 0.084 0.000 2.346 59 R HA 0.749 5.089 4.340 -0.000 0.000 0.311 59 R C -0.228 176.111 176.300 0.064 0.000 0.983 59 R CA 0.328 56.465 56.100 0.061 0.000 0.880 59 R CB 1.576 31.904 30.300 0.046 0.000 1.100 59 R HN 1.196 nan 8.270 nan 0.000 0.453 60 T N 1.080 115.667 114.554 0.054 0.000 2.906 60 T HA 0.533 4.883 4.350 -0.000 0.000 0.295 60 T C -0.717 174.005 174.700 0.037 0.000 1.075 60 T CA -0.813 61.318 62.100 0.052 0.000 1.005 60 T CB 1.326 70.234 68.868 0.067 0.000 1.136 60 T HN 0.275 nan 8.240 nan 0.000 0.498 61 I N 2.131 122.722 120.570 0.034 0.000 2.378 61 I HA 0.629 4.799 4.170 -0.000 0.000 0.291 61 I C 0.584 176.720 176.117 0.032 0.000 0.992 61 I CA -0.882 60.434 61.300 0.027 0.000 1.154 61 I CB 1.176 39.189 38.000 0.021 0.000 1.315 61 I HN 1.043 nan 8.210 nan 0.000 0.448 62 A N 7.023 129.858 122.820 0.025 0.000 2.401 62 A HA 0.399 4.719 4.320 -0.000 0.000 0.259 62 A C 0.870 178.470 177.584 0.026 0.000 1.103 62 A CA -0.243 51.810 52.037 0.026 0.000 0.789 62 A CB 0.293 19.305 19.000 0.019 0.000 1.035 62 A HN 0.699 nan 8.150 nan 0.000 0.491 63 M N 0.768 120.386 119.600 0.031 0.000 2.495 63 M HA 0.153 4.633 4.480 -0.000 0.000 0.237 63 M C -0.016 176.300 176.300 0.026 0.000 1.131 63 M CA 0.711 56.030 55.300 0.032 0.000 1.032 63 M CB -0.921 31.703 32.600 0.039 0.000 1.513 63 M HN 0.819 nan 8.290 nan 0.000 0.488 64 D N -1.250 119.163 120.400 0.022 0.000 2.677 64 D HA 0.466 5.106 4.640 -0.000 0.000 0.298 64 D C -0.477 175.831 176.300 0.014 0.000 1.250 64 D CA -0.227 53.784 54.000 0.018 0.000 0.888 64 D CB 1.173 41.984 40.800 0.019 0.000 1.397 64 D HN 0.101 nan 8.370 nan 0.000 0.461 65 G N -0.974 107.833 108.800 0.011 0.000 2.484 65 G HA2 0.331 4.291 3.960 -0.000 0.000 0.235 65 G HA3 0.331 4.291 3.960 -0.000 0.000 0.235 65 G C 0.811 175.716 174.900 0.007 0.000 1.282 65 G CA 0.618 45.723 45.100 0.008 0.000 0.857 65 G HN 0.426 nan 8.290 nan 0.000 0.571 66 T N -1.585 112.972 114.554 0.005 0.000 3.092 66 T HA 0.155 4.505 4.350 -0.000 0.000 0.258 66 T C 0.730 175.431 174.700 0.001 0.000 1.031 66 T CA 0.019 62.121 62.100 0.004 0.000 0.925 66 T CB 0.039 68.909 68.868 0.004 0.000 1.036 66 T HN 0.654 nan 8.240 nan 0.000 0.544 67 E N 1.931 122.131 120.200 0.002 0.000 2.442 67 E HA 0.275 4.625 4.350 -0.000 0.000 0.262 67 E C 1.166 177.766 176.600 -0.001 0.000 1.004 67 E CA 0.697 57.098 56.400 0.000 0.000 0.928 67 E CB 0.071 29.772 29.700 0.001 0.000 0.937 67 E HN 0.487 nan 8.360 nan 0.000 0.446 68 G N 2.669 111.467 108.800 -0.002 0.000 2.176 68 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.253 68 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.253 68 G C 0.297 175.193 174.900 -0.005 0.000 0.979 68 G CA 0.211 45.309 45.100 -0.003 0.000 0.641 68 G HN 0.487 nan 8.290 nan 0.000 0.530 69 L N 0.826 122.046 121.223 -0.006 0.000 2.416 69 L HA 0.494 4.834 4.340 -0.000 0.000 0.272 69 L C 0.609 177.473 176.870 -0.012 0.000 1.161 69 L CA -0.333 54.502 54.840 -0.009 0.000 0.845 69 L CB 1.242 43.297 42.059 -0.008 0.000 1.119 69 L HN -0.012 nan 8.230 nan 0.000 0.464 70 V N 3.762 123.667 119.914 -0.016 0.000 2.628 70 V HA 0.375 4.495 4.120 -0.000 0.000 0.306 70 V C 0.137 176.217 176.094 -0.024 0.000 1.045 70 V CA -0.867 61.422 62.300 -0.018 0.000 0.905 70 V CB 2.063 33.876 31.823 -0.018 0.000 0.997 70 V HN 0.684 nan 8.190 nan 0.000 0.436 71 R N 2.308 122.794 120.500 -0.024 0.000 2.489 71 R HA 0.448 4.788 4.340 -0.000 0.000 0.287 71 R C 1.251 177.529 176.300 -0.036 0.000 1.053 71 R CA 0.945 57.026 56.100 -0.030 0.000 1.036 71 R CB 0.309 30.594 30.300 -0.025 0.000 0.966 71 R HN 1.164 nan 8.270 nan 0.000 0.432 72 G N 1.609 110.380 108.800 -0.048 0.000 2.213 72 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.236 72 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.236 72 G C 0.183 175.048 174.900 -0.058 0.000 0.991 72 G CA -0.049 45.019 45.100 -0.053 0.000 0.629 72 G HN 0.588 nan 8.290 nan 0.000 0.517 73 Q N 1.327 121.095 119.800 -0.053 0.000 2.364 73 Q HA 0.432 4.772 4.340 -0.000 0.000 0.267 73 Q C 0.304 176.262 176.000 -0.070 0.000 0.999 73 Q CA 0.063 55.836 55.803 -0.050 0.000 0.886 73 Q CB 0.344 29.060 28.738 -0.037 0.000 1.243 73 Q HN 0.396 nan 8.270 nan 0.000 0.415 74 K N 2.112 122.474 120.400 -0.064 0.000 2.218 74 K HA 0.363 4.683 4.320 -0.000 0.000 0.276 74 K C -1.121 175.437 176.600 -0.070 0.000 1.022 74 K CA -0.443 55.795 56.287 -0.080 0.000 0.946 74 K CB 1.349 33.814 32.500 -0.058 0.000 1.000 74 K HN 0.356 nan 8.250 nan 0.000 0.468 75 V N 4.446 124.299 119.914 -0.101 0.000 2.623 75 V HA 0.298 4.418 4.120 -0.000 0.000 0.304 75 V C -0.475 175.626 176.094 0.013 0.000 1.054 75 V CA -0.864 61.404 62.300 -0.052 0.000 0.882 75 V CB 1.702 33.475 31.823 -0.084 0.000 1.002 75 V HN 0.618 nan 8.190 nan 0.000 0.424 76 L N 3.226 124.495 121.223 0.075 0.000 2.289 76 L HA 0.503 4.843 4.340 -0.000 0.000 0.285 76 L C -0.163 176.814 176.870 0.178 0.000 1.049 76 L CA -0.474 54.441 54.840 0.125 0.000 0.804 76 L CB 1.648 43.746 42.059 0.065 0.000 1.195 76 L HN 0.639 nan 8.230 nan 0.000 0.428 77 D N 1.152 121.688 120.400 0.226 0.000 2.343 77 D HA 0.017 4.657 4.640 -0.000 0.000 0.255 77 D C 1.099 177.425 176.300 0.043 0.000 1.187 77 D CA -0.073 53.986 54.000 0.098 0.000 0.875 77 D CB 1.395 42.165 40.800 -0.050 0.000 1.136 77 D HN 0.521 nan 8.370 nan 0.000 0.469 78 S N 2.667 118.383 115.700 0.026 0.000 2.489 78 S HA 0.125 4.595 4.470 -0.000 0.000 0.228 78 S C 1.713 176.307 174.600 -0.009 0.000 0.995 78 S CA 0.531 58.735 58.200 0.006 0.000 0.934 78 S CB -0.131 63.072 63.200 0.004 0.000 0.771 78 S HN 0.933 nan 8.310 nan 0.000 0.522 79 G N 0.151 108.941 108.800 -0.017 0.000 2.175 79 G HA2 0.127 4.086 3.960 -0.000 0.000 0.244 79 G HA3 0.127 4.086 3.960 -0.000 0.000 0.244 79 G C 0.138 175.029 174.900 -0.016 0.000 0.982 79 G CA -0.194 44.891 45.100 -0.025 0.000 0.641 79 G HN 1.566 nan 8.290 nan 0.000 0.527 80 A N -0.963 121.854 122.820 -0.004 0.000 2.581 80 A HA 0.914 5.234 4.320 -0.000 0.000 0.290 80 A C -2.974 174.630 177.584 0.033 0.000 1.119 80 A CA -0.567 51.477 52.037 0.012 0.000 0.670 80 A CB 0.759 19.767 19.000 0.014 0.000 1.280 80 A HN 0.107 nan 8.150 nan 0.000 0.425 81 P HA 0.299 nan 4.420 nan 0.000 0.274 81 P C -0.320 177.041 177.300 0.101 0.000 1.264 81 P CA -0.236 62.932 63.100 0.113 0.000 0.795 81 P CB 0.186 32.002 31.700 0.193 0.000 1.064 82 I N 0.761 121.404 120.570 0.122 0.000 2.821 82 I HA -0.090 4.080 4.170 -0.000 0.000 0.294 82 I C 1.114 177.277 176.117 0.078 0.000 1.210 82 I CA 0.976 62.327 61.300 0.085 0.000 1.430 82 I CB -0.194 37.850 38.000 0.072 0.000 1.356 82 I HN 0.125 nan 8.210 nan 0.000 0.563 83 R N 7.330 127.887 120.500 0.095 0.000 2.562 83 R HA 0.724 5.064 4.340 -0.000 0.000 0.298 83 R C -0.787 175.670 176.300 0.261 0.000 0.961 83 R CA -0.815 55.375 56.100 0.150 0.000 0.881 83 R CB 1.980 32.367 30.300 0.144 0.000 1.159 83 R HN 0.567 nan 8.270 nan 0.000 0.450 84 I N -1.207 119.486 120.570 0.205 0.000 2.892 84 I HA 0.612 4.782 4.170 -0.000 0.000 0.306 84 I C -2.703 173.212 176.117 -0.337 0.000 1.078 84 I CA -3.392 57.940 61.300 0.053 0.000 1.032 84 I CB 2.190 40.165 38.000 -0.043 0.000 1.229 84 I HN 0.296 nan 8.210 nan 0.000 0.435 85 P HA 0.169 nan 4.420 nan 0.000 0.268 85 P C -0.814 176.142 177.300 -0.573 0.000 1.204 85 P CA -0.110 62.405 63.100 -0.975 0.000 0.768 85 P CB 0.727 32.003 31.700 -0.706 0.000 0.842 86 V N 0.636 120.191 119.914 -0.599 0.000 2.876 86 V HA 1.028 5.148 4.120 -0.000 0.000 0.312 86 V C -0.006 175.497 176.094 -0.985 0.000 1.085 86 V CA -0.219 61.686 62.300 -0.658 0.000 0.945 86 V CB 1.501 33.029 31.823 -0.491 0.000 1.017 86 V HN 0.920 nan 8.190 nan 0.000 0.428 87 G N 3.442 111.476 108.800 -1.276 0.000 2.353 87 G HA2 0.178 4.138 3.960 -0.000 0.000 0.424 87 G HA3 0.178 4.138 3.960 -0.000 0.000 0.424 87 G C -2.806 171.819 174.900 -0.457 0.000 1.320 87 G CA -0.021 44.343 45.100 -1.227 0.000 0.995 87 G HN 0.586 nan 8.290 nan 0.000 0.580 88 P HA -0.010 nan 4.420 nan 0.000 0.219 88 P C 1.569 178.831 177.300 -0.063 0.000 1.146 88 P CA 1.738 64.847 63.100 0.015 0.000 0.808 88 P CB 0.107 31.823 31.700 0.027 0.000 0.779 89 E N -0.606 119.526 120.200 -0.114 0.000 2.478 89 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 89 E C 1.278 177.812 176.600 -0.110 0.000 1.046 89 E CA 1.348 57.686 56.400 -0.103 0.000 0.870 89 E CB -1.399 28.236 29.700 -0.108 0.000 0.818 89 E HN 0.350 nan 8.360 nan 0.000 0.527 90 T N -0.657 113.822 114.554 -0.125 0.000 3.055 90 T HA 0.062 4.412 4.350 -0.000 0.000 0.265 90 T C 1.208 175.884 174.700 -0.040 0.000 1.111 90 T CA -0.093 61.947 62.100 -0.100 0.000 1.118 90 T CB -0.386 68.405 68.868 -0.128 0.000 0.909 90 T HN 0.038 nan 8.240 nan 0.000 0.501 91 L N 1.966 123.173 121.223 -0.027 0.000 2.462 91 L HA 0.435 4.775 4.340 -0.000 0.000 0.272 91 L C 1.696 178.546 176.870 -0.034 0.000 1.166 91 L CA 0.788 55.604 54.840 -0.040 0.000 0.880 91 L CB 0.084 42.069 42.059 -0.122 0.000 1.142 91 L HN 0.558 nan 8.230 nan 0.000 0.473 92 G N 1.985 110.775 108.800 -0.017 0.000 2.179 92 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.260 92 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.260 92 G C 0.345 175.255 174.900 0.018 0.000 0.977 92 G CA -0.368 44.732 45.100 -0.000 0.000 0.641 92 G HN 0.476 nan 8.290 nan 0.000 0.533 93 R N -0.184 120.299 120.500 -0.028 0.000 2.643 93 R HA 0.772 5.112 4.340 -0.000 0.000 0.272 93 R C 0.188 176.402 176.300 -0.144 0.000 0.995 93 R CA -0.920 55.138 56.100 -0.070 0.000 1.032 93 R CB 0.844 31.095 30.300 -0.082 0.000 1.126 93 R HN 0.305 nan 8.270 nan 0.000 0.505 94 I N 2.788 123.218 120.570 -0.234 0.000 2.378 94 I HA 0.415 4.585 4.170 -0.000 0.000 0.291 94 I C 0.448 176.432 176.117 -0.223 0.000 0.992 94 I CA -0.656 60.439 61.300 -0.342 0.000 1.154 94 I CB 1.478 39.132 38.000 -0.576 0.000 1.315 94 I HN 0.417 nan 8.210 nan 0.000 0.448 95 M N 4.023 123.521 119.600 -0.171 0.000 2.716 95 M HA 0.631 5.111 4.480 -0.000 0.000 0.307 95 M C -0.871 175.400 176.300 -0.048 0.000 1.223 95 M CA -0.727 54.515 55.300 -0.096 0.000 0.871 95 M CB 1.938 34.489 32.600 -0.082 0.000 1.739 95 M HN 0.514 nan 8.290 nan 0.000 0.475 96 N N 0.713 119.406 118.700 -0.011 0.000 2.514 96 N HA 0.218 4.958 4.740 -0.000 0.000 0.299 96 N C 0.523 176.050 175.510 0.029 0.000 1.292 96 N CA -0.768 52.300 53.050 0.031 0.000 0.963 96 N CB 0.103 38.611 38.487 0.035 0.000 1.124 96 N HN 0.604 nan 8.380 nan 0.000 0.580 97 V N -0.556 119.382 119.914 0.040 0.000 2.490 97 V HA -0.110 4.010 4.120 -0.000 0.000 0.250 97 V C 1.544 177.653 176.094 0.024 0.000 1.061 97 V CA 1.769 64.089 62.300 0.033 0.000 1.064 97 V CB -0.844 31.003 31.823 0.040 0.000 0.670 97 V HN 0.655 nan 8.190 nan 0.000 0.461 98 I N -2.409 118.180 120.570 0.031 0.000 3.861 98 I HA 0.522 4.692 4.170 -0.000 0.000 0.329 98 I C 1.307 177.453 176.117 0.048 0.000 1.321 98 I CA 0.557 61.881 61.300 0.041 0.000 1.126 98 I CB -0.325 37.702 38.000 0.046 0.000 1.018 98 I HN 0.285 nan 8.210 nan 0.000 0.407 99 G N 1.239 110.052 108.800 0.022 0.000 2.148 99 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.254 99 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.254 99 G C -0.084 174.819 174.900 0.006 0.000 0.981 99 G CA 0.173 45.273 45.100 0.001 0.000 0.670 99 G HN 0.670 nan 8.290 nan 0.000 0.528 100 E N 1.534 121.743 120.200 0.016 0.000 2.366 100 E HA 0.349 4.699 4.350 -0.000 0.000 0.266 100 E C -2.126 174.462 176.600 -0.021 0.000 1.051 100 E CA -1.614 54.792 56.400 0.011 0.000 0.884 100 E CB 1.077 30.787 29.700 0.017 0.000 1.006 100 E HN 0.215 nan 8.360 nan 0.000 0.417 101 P HA 0.045 nan 4.420 nan 0.000 0.276 101 P C -0.008 177.259 177.300 -0.054 0.000 1.235 101 P CA 0.288 63.354 63.100 -0.056 0.000 0.772 101 P CB 0.284 31.954 31.700 -0.050 0.000 0.871 102 I N -0.221 120.300 120.570 -0.083 0.000 3.856 102 I HA 0.266 4.436 4.170 -0.000 0.000 0.330 102 I C 0.137 176.183 176.117 -0.119 0.000 1.546 102 I CA -0.284 60.973 61.300 -0.072 0.000 1.132 102 I CB -0.079 37.896 38.000 -0.042 0.000 1.157 102 I HN 0.031 nan 8.210 nan 0.000 0.440 103 D N 0.337 120.650 120.400 -0.145 0.000 2.402 103 D HA 0.021 4.661 4.640 -0.000 0.000 0.216 103 D C 0.498 176.753 176.300 -0.075 0.000 1.128 103 D CA -0.212 53.677 54.000 -0.185 0.000 0.833 103 D CB -0.160 40.477 40.800 -0.272 0.000 0.971 103 D HN 0.466 nan 8.370 nan 0.000 0.503 104 E N -0.206 119.967 120.200 -0.045 0.000 2.805 104 E HA -0.276 4.074 4.350 -0.000 0.000 0.266 104 E C 0.365 176.963 176.600 -0.003 0.000 1.092 104 E CA 0.390 56.782 56.400 -0.013 0.000 0.781 104 E CB -1.110 28.592 29.700 0.003 0.000 1.379 104 E HN 0.436 nan 8.360 nan 0.000 0.433 105 R N 0.109 120.602 120.500 -0.011 0.000 2.466 105 R HA 0.255 4.595 4.340 -0.000 0.000 0.279 105 R C 0.953 177.248 176.300 -0.008 0.000 0.976 105 R CA 0.360 56.459 56.100 -0.002 0.000 1.081 105 R CB 0.873 31.175 30.300 0.003 0.000 1.215 105 R HN 0.308 nan 8.270 nan 0.000 0.546 106 G N 1.981 110.775 108.800 -0.010 0.000 2.741 106 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.222 106 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.222 106 G C -2.497 172.396 174.900 -0.012 0.000 1.364 106 G CA -1.200 43.896 45.100 -0.007 0.000 0.866 106 G HN 0.073 nan 8.290 nan 0.000 0.555 107 P HA 0.363 nan 4.420 nan 0.000 0.268 107 P C 0.232 177.520 177.300 -0.021 0.000 1.204 107 P CA -0.113 62.985 63.100 -0.003 0.000 0.768 107 P CB 0.322 32.028 31.700 0.011 0.000 0.842 108 I N 3.341 123.889 120.570 -0.038 0.000 2.293 108 I HA 0.047 4.217 4.170 -0.000 0.000 0.299 108 I C 0.724 176.794 176.117 -0.079 0.000 1.153 108 I CA 0.015 61.268 61.300 -0.078 0.000 1.302 108 I CB -0.250 37.674 38.000 -0.125 0.000 1.460 108 I HN 0.100 nan 8.210 nan 0.000 0.552 109 K N 4.158 124.524 120.400 -0.057 0.000 2.111 109 K HA 0.153 4.472 4.320 -0.000 0.000 0.249 109 K C 0.198 176.759 176.600 -0.065 0.000 1.157 109 K CA -0.005 56.261 56.287 -0.035 0.000 1.048 109 K CB 0.241 32.731 32.500 -0.016 0.000 1.498 109 K HN 0.391 nan 8.250 nan 0.000 0.344 110 T N 0.474 114.966 114.554 -0.102 0.000 2.929 110 T HA 0.239 4.589 4.350 -0.000 0.000 0.284 110 T C 0.684 175.343 174.700 -0.068 0.000 1.014 110 T CA -0.701 61.299 62.100 -0.167 0.000 1.051 110 T CB 0.749 69.399 68.868 -0.362 0.000 1.028 110 T HN 0.408 nan 8.240 nan 0.000 0.485 111 K N 1.587 121.944 120.400 -0.073 0.000 2.367 111 K HA 0.202 4.522 4.320 -0.000 0.000 0.194 111 K C -0.038 176.585 176.600 0.039 0.000 1.027 111 K CA 0.166 56.456 56.287 0.004 0.000 1.075 111 K CB 0.494 32.999 32.500 0.009 0.000 0.845 111 K HN 0.405 nan 8.250 nan 0.000 0.529 112 Q N -0.528 119.262 119.800 -0.016 0.000 2.379 112 Q HA 0.453 4.793 4.340 -0.000 0.000 0.278 112 Q C -1.324 174.670 176.000 -0.011 0.000 1.068 112 Q CA -0.458 55.370 55.803 0.042 0.000 0.816 112 Q CB 1.900 30.656 28.738 0.029 0.000 1.387 112 Q HN -0.055 nan 8.270 nan 0.000 0.413 113 F N 0.319 120.237 119.950 -0.053 0.000 2.575 113 F HA 0.933 5.460 4.527 -0.000 0.000 0.330 113 F C -0.238 175.541 175.800 -0.035 0.000 1.056 113 F CA -0.894 57.072 58.000 -0.057 0.000 0.964 113 F CB 1.882 40.859 39.000 -0.040 0.000 1.258 113 F HN 0.554 nan 8.300 nan 0.000 0.484 114 A N 0.921 123.820 122.820 0.131 0.000 2.520 114 A HA 0.770 5.090 4.320 -0.000 0.000 0.298 114 A C -1.401 176.225 177.584 0.070 0.000 1.051 114 A CA -0.670 51.413 52.037 0.077 0.000 0.690 114 A CB 0.907 19.921 19.000 0.024 0.000 1.281 114 A HN 0.961 nan 8.150 nan 0.000 0.402 115 A N 1.281 124.138 122.820 0.062 0.000 2.401 115 A HA 0.507 4.827 4.320 -0.000 0.000 0.259 115 A C 1.026 178.618 177.584 0.014 0.000 1.103 115 A CA 0.159 52.228 52.037 0.054 0.000 0.789 115 A CB -0.351 18.690 19.000 0.068 0.000 1.035 115 A HN 1.735 nan 8.150 nan 0.000 0.491 116 I N -0.942 119.606 120.570 -0.036 0.000 3.251 116 I HA 0.067 4.237 4.170 -0.000 0.000 0.277 116 I C 0.282 176.244 176.117 -0.258 0.000 1.268 116 I CA 0.615 61.820 61.300 -0.159 0.000 1.449 116 I CB -0.191 37.673 38.000 -0.227 0.000 1.083 116 I HN 0.580 nan 8.210 nan 0.000 0.464 117 H N 2.900 121.984 119.070 0.022 0.000 2.540 117 H HA 0.559 5.115 4.556 -0.000 0.000 0.264 117 H C 0.370 175.707 175.328 0.014 0.000 1.427 117 H CA -0.262 55.798 56.048 0.019 0.000 1.103 117 H CB 0.054 29.827 29.762 0.018 0.000 1.572 117 H HN 0.409 nan 8.280 nan 0.000 0.511 118 A N 1.342 124.205 122.820 0.072 0.000 2.386 118 A HA 0.155 4.475 4.320 -0.000 0.000 0.248 118 A C 0.703 178.318 177.584 0.051 0.000 1.082 118 A CA -0.530 51.538 52.037 0.052 0.000 0.789 118 A CB 0.786 19.801 19.000 0.025 0.000 1.025 118 A HN 0.329 nan 8.150 nan 0.000 0.490 119 E N 0.652 120.877 120.200 0.042 0.000 2.366 119 E HA 0.383 4.733 4.350 -0.000 0.000 0.266 119 E C 0.517 177.134 176.600 0.028 0.000 1.051 119 E CA 0.154 56.577 56.400 0.037 0.000 0.884 119 E CB 1.050 30.769 29.700 0.032 0.000 1.006 119 E HN 0.728 nan 8.360 nan 0.000 0.417 120 A N 4.133 126.971 122.820 0.030 0.000 2.466 120 A HA 0.257 4.577 4.320 -0.000 0.000 0.238 120 A C -2.005 175.595 177.584 0.027 0.000 1.074 120 A CA -0.884 51.168 52.037 0.026 0.000 0.774 120 A CB -0.589 18.431 19.000 0.033 0.000 1.015 120 A HN 0.316 nan 8.150 nan 0.000 0.498 121 P HA 0.123 nan 4.420 nan 0.000 0.267 121 P C -0.071 177.251 177.300 0.037 0.000 1.200 121 P CA -0.021 63.089 63.100 0.018 0.000 0.772 121 P CB 0.448 32.150 31.700 0.003 0.000 0.855 122 E N 1.201 121.424 120.200 0.039 0.000 2.391 122 E HA 0.014 4.364 4.350 -0.000 0.000 0.255 122 E C 0.791 177.449 176.600 0.096 0.000 1.187 122 E CA -0.268 56.177 56.400 0.075 0.000 0.941 122 E CB 0.067 29.806 29.700 0.066 0.000 1.010 122 E HN 0.402 nan 8.360 nan 0.000 0.458 123 F N 1.611 121.561 119.950 0.001 0.000 2.161 123 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 123 F C 1.802 177.601 175.800 -0.002 0.000 1.089 123 F CA 1.535 59.535 58.000 0.000 0.000 1.282 123 F CB -0.224 38.776 39.000 0.000 0.000 1.010 123 F HN 0.226 nan 8.300 nan 0.000 0.485 124 V N -1.566 118.302 119.914 -0.078 0.000 2.626 124 V HA -0.203 3.917 4.120 -0.000 0.000 0.252 124 V C 1.733 177.729 176.094 -0.163 0.000 1.067 124 V CA 1.943 64.149 62.300 -0.156 0.000 1.081 124 V CB -1.138 30.668 31.823 -0.028 0.000 0.686 124 V HN 0.375 nan 8.190 nan 0.000 0.468 125 E N -0.088 120.044 120.200 -0.112 0.000 2.481 125 E HA 0.114 4.464 4.350 -0.000 0.000 0.195 125 E C 0.622 177.156 176.600 -0.109 0.000 1.047 125 E CA -0.062 56.287 56.400 -0.085 0.000 0.867 125 E CB 0.004 29.679 29.700 -0.043 0.000 0.858 125 E HN 0.470 nan 8.360 nan 0.000 0.513 126 M N 1.439 120.933 119.600 -0.176 0.000 2.233 126 M HA 0.058 4.538 4.480 -0.000 0.000 0.350 126 M C 0.538 176.746 176.300 -0.153 0.000 1.176 126 M CA 0.001 55.202 55.300 -0.164 0.000 1.150 126 M CB 0.817 33.282 32.600 -0.226 0.000 1.530 126 M HN -0.111 nan 8.290 nan 0.000 0.459 127 S N 1.775 117.416 115.700 -0.099 0.000 2.548 127 S HA 0.289 4.759 4.470 -0.000 0.000 0.277 127 S C 1.012 175.564 174.600 -0.081 0.000 1.315 127 S CA -0.803 57.348 58.200 -0.081 0.000 1.050 127 S CB 0.666 63.833 63.200 -0.056 0.000 0.918 127 S HN 0.604 nan 8.310 nan 0.000 0.497 128 V N -1.094 118.775 119.914 -0.076 0.000 3.306 128 V HA 0.276 4.396 4.120 -0.000 0.000 0.264 128 V C 0.564 176.636 176.094 -0.037 0.000 1.149 128 V CA 0.722 62.985 62.300 -0.061 0.000 1.143 128 V CB -1.166 30.623 31.823 -0.057 0.000 0.767 128 V HN 0.819 nan 8.190 nan 0.000 0.476 129 E N 0.855 121.033 120.200 -0.036 0.000 2.195 129 E HA 0.368 4.718 4.350 -0.000 0.000 0.271 129 E C -0.412 176.174 176.600 -0.023 0.000 0.923 129 E CA -0.563 55.822 56.400 -0.026 0.000 0.790 129 E CB 1.151 30.836 29.700 -0.025 0.000 1.155 129 E HN 0.394 nan 8.360 nan 0.000 0.402 130 Q N 2.185 121.974 119.800 -0.019 0.000 2.293 130 Q HA 0.290 4.630 4.340 -0.000 0.000 0.251 130 Q C -0.646 175.347 176.000 -0.013 0.000 0.930 130 Q CA 0.086 55.880 55.803 -0.015 0.000 0.893 130 Q CB 1.501 30.231 28.738 -0.014 0.000 1.215 130 Q HN 0.587 nan 8.270 nan 0.000 0.425 131 E N 1.635 121.829 120.200 -0.010 0.000 2.343 131 E HA 0.388 4.738 4.350 -0.000 0.000 0.278 131 E C -1.427 175.175 176.600 0.003 0.000 0.910 131 E CA -0.613 55.783 56.400 -0.007 0.000 0.757 131 E CB 1.990 31.679 29.700 -0.017 0.000 1.218 131 E HN 0.563 nan 8.360 nan 0.000 0.435 132 I N 4.191 124.770 120.570 0.016 0.000 2.474 132 I HA 0.207 4.377 4.170 -0.000 0.000 0.287 132 I C -0.853 175.279 176.117 0.026 0.000 1.048 132 I CA -0.463 60.860 61.300 0.038 0.000 1.383 132 I CB 0.576 38.616 38.000 0.066 0.000 1.412 132 I HN 0.480 nan 8.210 nan 0.000 0.531 133 L N 8.850 130.104 121.223 0.052 0.000 2.283 133 L HA 0.381 4.721 4.340 -0.000 0.000 0.281 133 L C -0.797 176.128 176.870 0.091 0.000 1.033 133 L CA -0.359 54.503 54.840 0.037 0.000 0.848 133 L CB 1.074 43.170 42.059 0.062 0.000 1.226 133 L HN 0.329 nan 8.230 nan 0.000 0.429 134 V N 4.555 124.548 119.914 0.132 0.000 2.446 134 V HA 0.071 4.191 4.120 -0.000 0.000 0.276 134 V C 1.509 177.689 176.094 0.144 0.000 1.030 134 V CA 0.765 63.147 62.300 0.136 0.000 1.033 134 V CB 0.671 32.584 31.823 0.151 0.000 0.993 134 V HN 0.951 nan 8.190 nan 0.000 0.477 135 T N 0.685 115.243 114.554 0.006 0.000 3.051 135 T HA 0.200 4.550 4.350 -0.000 0.000 0.255 135 T C 1.544 176.210 174.700 -0.058 0.000 1.085 135 T CA 0.768 62.843 62.100 -0.042 0.000 1.109 135 T CB 0.272 69.026 68.868 -0.190 0.000 0.921 135 T HN 1.401 nan 8.240 nan 0.000 0.488 136 G N 1.515 110.288 108.800 -0.045 0.000 2.179 136 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.260 136 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.260 136 G C 0.010 174.898 174.900 -0.021 0.000 0.977 136 G CA 0.129 45.205 45.100 -0.040 0.000 0.641 136 G HN 0.669 nan 8.290 nan 0.000 0.533 137 I N 0.824 121.378 120.570 -0.027 0.000 2.315 137 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 137 I C 1.580 177.703 176.117 0.010 0.000 1.006 137 I CA -0.767 60.555 61.300 0.036 0.000 1.265 137 I CB 1.366 39.399 38.000 0.054 0.000 1.387 137 I HN -0.034 nan 8.210 nan 0.000 0.475 138 K N 3.858 124.273 120.400 0.026 0.000 2.032 138 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 138 K C 1.856 178.442 176.600 -0.024 0.000 1.048 138 K CA 1.607 57.908 56.287 0.024 0.000 0.927 138 K CB -0.181 32.339 32.500 0.032 0.000 0.712 138 K HN 0.683 nan 8.250 nan 0.000 0.441 139 V N -0.336 119.569 119.914 -0.014 0.000 2.255 139 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 139 V C 2.286 178.352 176.094 -0.047 0.000 1.051 139 V CA 1.651 63.925 62.300 -0.045 0.000 1.018 139 V CB -1.084 30.740 31.823 0.002 0.000 0.641 139 V HN 0.000 nan 8.190 nan 0.000 0.445 140 V N 0.935 120.823 119.914 -0.042 0.000 2.223 140 V HA -0.242 3.878 4.120 -0.000 0.000 0.244 140 V C 2.569 178.617 176.094 -0.077 0.000 1.045 140 V CA 2.563 64.806 62.300 -0.095 0.000 1.000 140 V CB -0.958 30.699 31.823 -0.276 0.000 0.635 140 V HN 0.489 nan 8.190 nan 0.000 0.445 141 D N -0.401 119.956 120.400 -0.072 0.000 2.149 141 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 141 D C 1.853 178.232 176.300 0.132 0.000 0.990 141 D CA 1.209 55.215 54.000 0.010 0.000 0.839 141 D CB -0.152 40.648 40.800 -0.001 0.000 0.948 141 D HN 0.314 nan 8.370 nan 0.000 0.460 142 L N -0.400 120.848 121.223 0.042 0.000 2.084 142 L HA 0.068 4.408 4.340 -0.000 0.000 0.202 142 L C 2.073 179.018 176.870 0.124 0.000 1.074 142 L CA 1.181 56.065 54.840 0.074 0.000 0.757 142 L CB -0.129 41.781 42.059 -0.248 0.000 0.918 142 L HN -0.029 nan 8.230 nan 0.000 0.444 143 L N -1.203 120.014 121.223 -0.010 0.000 2.298 143 L HA 0.269 4.609 4.340 -0.000 0.000 0.209 143 L C 0.719 177.599 176.870 0.017 0.000 1.084 143 L CA 0.554 55.381 54.840 -0.021 0.000 0.816 143 L CB -0.045 41.975 42.059 -0.065 0.000 0.967 143 L HN 0.244 nan 8.230 nan 0.000 0.460 144 A N 0.366 123.212 122.820 0.043 0.000 3.410 144 A HA 0.428 4.748 4.320 -0.000 0.000 0.276 144 A C -2.610 175.056 177.584 0.136 0.000 0.995 144 A CA -0.921 51.169 52.037 0.088 0.000 0.934 144 A CB -0.234 18.834 19.000 0.114 0.000 1.191 144 A HN -0.141 nan 8.150 nan 0.000 0.511 145 P HA 0.185 nan 4.420 nan 0.000 0.272 145 P C -0.882 176.581 177.300 0.270 0.000 1.223 145 P CA 0.265 63.433 63.100 0.113 0.000 0.784 145 P CB 0.590 32.331 31.700 0.067 0.000 0.923 146 Y N 0.338 120.656 120.300 0.030 0.000 2.301 146 Y HA 0.459 5.009 4.550 -0.000 0.000 0.325 146 Y C 1.009 176.907 175.900 -0.002 0.000 1.203 146 Y CA -1.514 56.593 58.100 0.011 0.000 1.255 146 Y CB 0.351 38.816 38.460 0.009 0.000 1.232 146 Y HN 0.390 nan 8.280 nan 0.000 0.501 147 A N 3.646 126.539 122.820 0.122 0.000 2.324 147 A HA 0.452 4.772 4.320 -0.000 0.000 0.330 147 A C -0.184 177.408 177.584 0.013 0.000 1.165 147 A CA -1.043 51.023 52.037 0.048 0.000 0.813 147 A CB 0.510 19.521 19.000 0.017 0.000 1.197 147 A HN 0.728 nan 8.150 nan 0.000 0.484 148 K N 0.721 121.117 120.400 -0.006 0.000 2.447 148 K HA 0.327 4.647 4.320 -0.000 0.000 0.281 148 K C 1.165 177.743 176.600 -0.038 0.000 1.031 148 K CA 1.315 57.580 56.287 -0.035 0.000 1.019 148 K CB 0.353 32.821 32.500 -0.054 0.000 0.918 148 K HN 1.468 nan 8.250 nan 0.000 0.476 149 G N 2.225 110.996 108.800 -0.048 0.000 2.179 149 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 149 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 149 G C 0.466 175.336 174.900 -0.050 0.000 0.977 149 G CA -0.004 45.069 45.100 -0.046 0.000 0.641 149 G HN 0.848 nan 8.290 nan 0.000 0.533 150 G N -0.683 108.080 108.800 -0.060 0.000 2.547 150 G HA2 0.617 4.577 3.960 -0.000 0.000 0.291 150 G HA3 0.617 4.577 3.960 -0.000 0.000 0.291 150 G C -0.462 174.368 174.900 -0.117 0.000 1.211 150 G CA -0.460 44.598 45.100 -0.070 0.000 0.950 150 G HN 0.319 nan 8.290 nan 0.000 0.504 151 K N -0.616 119.715 120.400 -0.115 0.000 2.292 151 K HA 0.566 4.886 4.320 -0.000 0.000 0.257 151 K C -0.900 175.584 176.600 -0.193 0.000 0.940 151 K CA -0.302 55.892 56.287 -0.155 0.000 0.811 151 K CB 1.955 34.395 32.500 -0.100 0.000 1.120 151 K HN 0.250 nan 8.250 nan 0.000 0.428 152 I N 1.343 121.741 120.570 -0.286 0.000 2.404 152 I HA 0.384 4.554 4.170 -0.000 0.000 0.293 152 I C 0.473 176.458 176.117 -0.220 0.000 0.992 152 I CA -0.422 60.686 61.300 -0.319 0.000 1.149 152 I CB 2.198 39.788 38.000 -0.683 0.000 1.315 152 I HN 0.620 nan 8.210 nan 0.000 0.446 153 G N 6.142 114.868 108.800 -0.124 0.000 2.350 153 G HA2 0.501 4.461 3.960 -0.000 0.000 0.306 153 G HA3 0.501 4.461 3.960 -0.000 0.000 0.306 153 G C -0.983 173.892 174.900 -0.042 0.000 1.094 153 G CA -0.347 44.663 45.100 -0.151 0.000 0.953 153 G HN 0.444 nan 8.290 nan 0.000 0.420 154 L N 3.715 124.838 121.223 -0.167 0.000 2.255 154 L HA 0.653 4.993 4.340 -0.000 0.000 0.289 154 L C -1.086 175.691 176.870 -0.156 0.000 1.046 154 L CA -0.894 53.936 54.840 -0.018 0.000 0.816 154 L CB 0.065 42.151 42.059 0.044 0.000 1.197 154 L HN 0.333 nan 8.230 nan 0.000 0.427 155 F N 3.501 123.480 119.950 0.048 0.000 2.425 155 F HA 0.841 5.368 4.527 -0.000 0.000 0.331 155 F C 0.942 176.782 175.800 0.066 0.000 1.085 155 F CA 0.057 58.086 58.000 0.048 0.000 1.028 155 F CB 1.922 40.948 39.000 0.044 0.000 1.177 155 F HN 0.679 nan 8.300 nan 0.000 0.487 156 G N 0.734 109.669 108.800 0.226 0.000 2.528 156 G HA2 0.376 4.336 3.960 -0.000 0.000 0.681 156 G HA3 0.376 4.336 3.960 -0.000 0.000 0.681 156 G C -0.293 174.687 174.900 0.132 0.000 1.340 156 G CA -0.658 44.540 45.100 0.163 0.000 0.855 156 G HN 1.056 nan 8.290 nan 0.000 0.649 157 G N 0.149 109.021 108.800 0.121 0.000 3.086 157 G HA2 0.844 4.804 3.960 -0.000 0.000 0.159 157 G HA3 0.844 4.804 3.960 -0.000 0.000 0.159 157 G C 0.880 175.839 174.900 0.098 0.000 1.654 157 G CA 0.837 46.007 45.100 0.115 0.000 1.078 157 G HN 2.095 nan 8.290 nan 0.000 0.558 158 A N -2.535 120.335 122.820 0.083 0.000 2.256 158 A HA 0.598 4.918 4.320 -0.000 0.000 0.318 158 A C 1.303 178.930 177.584 0.070 0.000 1.103 158 A CA 0.672 52.751 52.037 0.070 0.000 0.860 158 A CB 0.290 19.322 19.000 0.054 0.000 1.182 158 A HN 2.364 nan 8.150 nan 0.000 0.501 159 G N -1.412 107.426 108.800 0.064 0.000 2.168 159 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.257 159 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.257 159 G C 0.531 175.496 174.900 0.108 0.000 0.997 159 G CA 1.175 46.317 45.100 0.069 0.000 0.708 159 G HN 2.099 nan 8.290 nan 0.000 0.520 160 V N -3.298 116.687 119.914 0.118 0.000 3.214 160 V HA 0.678 4.798 4.120 -0.000 0.000 0.330 160 V C 1.698 177.904 176.094 0.186 0.000 1.403 160 V CA 0.562 62.948 62.300 0.143 0.000 1.143 160 V CB -0.070 31.818 31.823 0.108 0.000 1.098 160 V HN 2.063 nan 8.190 nan 0.000 0.463 161 G N 1.458 110.363 108.800 0.175 0.000 2.160 161 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.251 161 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.251 161 G C 0.896 175.901 174.900 0.175 0.000 1.008 161 G CA 0.867 46.072 45.100 0.176 0.000 0.724 161 G HN 0.641 nan 8.290 nan 0.000 0.514 162 K N 0.003 120.490 120.400 0.146 0.000 2.026 162 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 162 K C 2.847 179.527 176.600 0.133 0.000 1.048 162 K CA 2.269 58.645 56.287 0.149 0.000 0.929 162 K CB -0.394 32.186 32.500 0.133 0.000 0.713 162 K HN 0.587 nan 8.250 nan 0.000 0.439 163 T N -1.466 113.145 114.554 0.096 0.000 2.821 163 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 163 T C 1.997 176.726 174.700 0.048 0.000 1.046 163 T CA 1.219 63.351 62.100 0.053 0.000 1.139 163 T CB -0.444 68.437 68.868 0.022 0.000 0.871 163 T HN 0.010 nan 8.240 nan 0.000 0.454 164 V N 1.395 121.366 119.914 0.095 0.000 2.515 164 V HA -0.014 4.106 4.120 -0.000 0.000 0.250 164 V C 2.505 178.701 176.094 0.169 0.000 1.058 164 V CA 1.304 63.690 62.300 0.142 0.000 1.064 164 V CB -0.811 31.129 31.823 0.196 0.000 0.675 164 V HN 0.379 nan 8.190 nan 0.000 0.461 165 L N -0.041 121.311 121.223 0.215 0.000 2.027 165 L HA -0.060 4.280 4.340 -0.000 0.000 0.206 165 L C 2.158 179.086 176.870 0.095 0.000 1.074 165 L CA 1.763 56.724 54.840 0.203 0.000 0.745 165 L CB -0.446 41.783 42.059 0.283 0.000 0.898 165 L HN 0.180 nan 8.230 nan 0.000 0.433 166 I N -0.868 119.753 120.570 0.085 0.000 2.163 166 I HA -0.375 3.794 4.170 -0.000 0.000 0.243 166 I C 2.489 178.485 176.117 -0.203 0.000 1.085 166 I CA 1.928 63.193 61.300 -0.058 0.000 1.347 166 I CB -0.260 37.654 38.000 -0.144 0.000 1.044 166 I HN 0.308 nan 8.210 nan 0.000 0.408 167 M N -0.538 118.976 119.600 -0.143 0.000 2.213 167 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 167 M C 2.214 178.444 176.300 -0.116 0.000 1.062 167 M CA 1.537 56.757 55.300 -0.134 0.000 1.105 167 M CB -0.404 32.147 32.600 -0.082 0.000 1.385 167 M HN 0.139 nan 8.290 nan 0.000 0.417 168 E N 1.005 121.107 120.200 -0.163 0.000 2.106 168 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 168 E C 1.828 178.309 176.600 -0.198 0.000 0.984 168 E CA 1.067 57.275 56.400 -0.320 0.000 0.806 168 E CB -0.221 28.961 29.700 -0.862 0.000 0.750 168 E HN 0.440 nan 8.360 nan 0.000 0.458 169 L N -0.001 121.190 121.223 -0.054 0.000 2.046 169 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 169 L C 2.375 179.349 176.870 0.173 0.000 1.077 169 L CA 1.006 55.919 54.840 0.122 0.000 0.747 169 L CB -0.396 41.886 42.059 0.373 0.000 0.896 169 L HN 0.220 nan 8.230 nan 0.000 0.432 170 I N -0.098 120.561 120.570 0.149 0.000 2.142 170 I HA -0.320 3.850 4.170 -0.000 0.000 0.240 170 I C 2.341 178.484 176.117 0.043 0.000 1.078 170 I CA 1.650 63.030 61.300 0.134 0.000 1.343 170 I CB -0.391 37.623 38.000 0.024 0.000 1.046 170 I HN 0.314 nan 8.210 nan 0.000 0.405 171 N N 1.142 119.829 118.700 -0.021 0.000 2.069 171 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 171 N C 1.589 177.062 175.510 -0.062 0.000 1.031 171 N CA 1.808 54.830 53.050 -0.048 0.000 0.852 171 N CB -0.106 38.337 38.487 -0.074 0.000 1.018 171 N HN 0.186 nan 8.380 nan 0.000 0.423 172 N N -0.523 118.130 118.700 -0.079 0.000 2.188 172 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 172 N C 1.601 177.049 175.510 -0.103 0.000 1.018 172 N CA 0.616 53.605 53.050 -0.101 0.000 0.858 172 N CB -0.406 38.011 38.487 -0.116 0.000 0.989 172 N HN 0.080 nan 8.380 nan 0.000 0.426 173 V N 0.827 120.732 119.914 -0.015 0.000 2.427 173 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 173 V C 2.157 178.240 176.094 -0.018 0.000 1.051 173 V CA 1.753 64.086 62.300 0.056 0.000 1.048 173 V CB -0.749 31.171 31.823 0.162 0.000 0.666 173 V HN 0.317 nan 8.190 nan 0.000 0.456 174 A N -0.450 122.344 122.820 -0.044 0.000 1.968 174 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 174 A C 2.193 179.711 177.584 -0.110 0.000 1.169 174 A CA 1.816 53.795 52.037 -0.095 0.000 0.638 174 A CB -0.354 18.608 19.000 -0.064 0.000 0.812 174 A HN 0.466 nan 8.150 nan 0.000 0.446 175 K N -0.069 120.266 120.400 -0.108 0.000 2.057 175 K HA 0.030 4.350 4.320 -0.000 0.000 0.206 175 K C 1.901 178.410 176.600 -0.152 0.000 1.050 175 K CA 1.580 57.800 56.287 -0.112 0.000 0.935 175 K CB -0.292 32.147 32.500 -0.101 0.000 0.715 175 K HN 0.349 nan 8.250 nan 0.000 0.439 176 A N -0.714 121.954 122.820 -0.252 0.000 1.901 176 A HA 0.025 4.345 4.320 -0.000 0.000 0.210 176 A C 1.638 179.007 177.584 -0.358 0.000 1.208 176 A CA 0.809 52.625 52.037 -0.368 0.000 0.644 176 A CB -0.402 18.252 19.000 -0.577 0.000 0.863 176 A HN 0.362 nan 8.150 nan 0.000 0.454 177 H N -1.725 117.307 119.070 -0.063 0.000 2.553 177 H HA 0.255 4.811 4.556 -0.000 0.000 0.276 177 H C 1.779 177.040 175.328 -0.112 0.000 0.979 177 H CA 0.915 56.919 56.048 -0.072 0.000 1.268 177 H CB 0.339 30.063 29.762 -0.063 0.000 1.450 177 H HN 0.628 nan 8.280 nan 0.000 0.527 178 G N 0.454 109.211 108.800 -0.072 0.000 2.258 178 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.233 178 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.233 178 G C 1.015 175.681 174.900 -0.391 0.000 1.006 178 G CA 0.217 45.203 45.100 -0.189 0.000 0.620 178 G HN 0.768 nan 8.290 nan 0.000 0.511 179 G N -0.455 108.184 108.800 -0.269 0.000 2.732 179 G HA2 0.445 4.405 3.960 -0.000 0.000 0.244 179 G HA3 0.445 4.405 3.960 -0.000 0.000 0.244 179 G C -0.101 174.531 174.900 -0.448 0.000 1.226 179 G CA 0.213 45.099 45.100 -0.357 0.000 0.860 179 G HN 0.488 nan 8.290 nan 0.000 0.583 180 Y N -1.012 119.189 120.300 -0.165 0.000 2.602 180 Y HA 0.573 5.123 4.550 -0.000 0.000 0.330 180 Y C 0.764 176.614 175.900 -0.084 0.000 1.114 180 Y CA -0.696 57.263 58.100 -0.235 0.000 1.182 180 Y CB 2.226 40.290 38.460 -0.659 0.000 1.305 180 Y HN 0.454 nan 8.280 nan 0.000 0.502 181 S N 0.485 116.296 115.700 0.185 0.000 2.566 181 S HA 0.729 5.199 4.470 -0.000 0.000 0.298 181 S C -1.261 173.499 174.600 0.268 0.000 1.083 181 S CA -0.797 57.562 58.200 0.264 0.000 0.978 181 S CB 1.822 65.254 63.200 0.388 0.000 1.073 181 S HN 0.316 nan 8.310 nan 0.000 0.491 182 V N 2.526 122.631 119.914 0.319 0.000 2.604 182 V HA 0.549 4.669 4.120 -0.000 0.000 0.305 182 V C -1.236 175.093 176.094 0.392 0.000 1.043 182 V CA -0.727 61.751 62.300 0.296 0.000 0.888 182 V CB 1.486 33.445 31.823 0.227 0.000 0.995 182 V HN 0.863 nan 8.190 nan 0.000 0.429 183 F N 3.664 123.731 119.950 0.194 0.000 2.445 183 F HA 0.771 5.298 4.527 -0.000 0.000 0.348 183 F C 0.300 176.201 175.800 0.167 0.000 1.125 183 F CA -0.555 57.570 58.000 0.208 0.000 0.983 183 F CB 1.093 40.170 39.000 0.128 0.000 1.198 183 F HN 0.588 nan 8.300 nan 0.000 0.436 184 A N 4.768 127.513 122.820 -0.124 0.000 2.294 184 A HA 0.586 4.906 4.320 -0.000 0.000 0.316 184 A C 0.258 177.736 177.584 -0.177 0.000 1.359 184 A CA -0.242 51.769 52.037 -0.044 0.000 0.956 184 A CB -0.082 18.873 19.000 -0.075 0.000 1.155 184 A HN 0.998 nan 8.150 nan 0.000 0.544 185 G N 1.706 110.641 108.800 0.224 0.000 2.391 185 G HA2 0.480 4.440 3.960 -0.000 0.000 0.305 185 G HA3 0.480 4.440 3.960 -0.000 0.000 0.305 185 G C -0.482 174.471 174.900 0.089 0.000 1.072 185 G CA -0.138 45.089 45.100 0.213 0.000 1.016 185 G HN 0.638 nan 8.290 nan 0.000 0.418 186 V N 2.886 122.815 119.914 0.025 0.000 2.328 186 V HA 0.575 4.695 4.120 -0.000 0.000 0.278 186 V C 1.209 177.322 176.094 0.032 0.000 1.021 186 V CA 0.453 62.778 62.300 0.042 0.000 0.838 186 V CB 0.737 32.595 31.823 0.058 0.000 0.999 186 V HN 1.315 nan 8.190 nan 0.000 0.447 187 G N 3.681 112.494 108.800 0.021 0.000 2.225 187 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.267 187 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.267 187 G C 0.084 174.980 174.900 -0.007 0.000 1.024 187 G CA 0.304 45.408 45.100 0.005 0.000 0.784 187 G HN 0.687 nan 8.290 nan 0.000 0.507 188 E N -0.328 119.854 120.200 -0.030 0.000 2.374 188 E HA 0.344 4.694 4.350 -0.000 0.000 0.260 188 E C 0.884 177.444 176.600 -0.066 0.000 1.101 188 E CA -0.664 55.706 56.400 -0.051 0.000 0.907 188 E CB 0.687 30.327 29.700 -0.101 0.000 1.014 188 E HN 0.421 nan 8.360 nan 0.000 0.427 189 R N 0.710 121.179 120.500 -0.051 0.000 2.537 189 R HA 0.016 4.356 4.340 -0.000 0.000 0.280 189 R C 1.194 177.452 176.300 -0.070 0.000 1.058 189 R CA 0.045 56.118 56.100 -0.044 0.000 1.057 189 R CB 0.177 30.462 30.300 -0.025 0.000 0.973 189 R HN 0.547 nan 8.270 nan 0.000 0.438 190 T N 1.848 116.372 114.554 -0.049 0.000 2.720 190 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 190 T C 1.744 176.434 174.700 -0.018 0.000 1.037 190 T CA 1.324 63.398 62.100 -0.043 0.000 1.144 190 T CB -0.161 68.702 68.868 -0.008 0.000 0.864 190 T HN 0.543 nan 8.240 nan 0.000 0.444 191 R N 1.043 121.541 120.500 -0.002 0.000 2.117 191 R HA -0.134 4.206 4.340 -0.000 0.000 0.243 191 R C 2.131 178.443 176.300 0.020 0.000 1.143 191 R CA 1.530 57.641 56.100 0.018 0.000 0.968 191 R CB -0.093 30.215 30.300 0.014 0.000 0.863 191 R HN 0.526 nan 8.270 nan 0.000 0.444 192 E N -1.360 118.834 120.200 -0.010 0.000 2.230 192 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 192 E C 1.813 178.392 176.600 -0.036 0.000 0.987 192 E CA 0.784 57.177 56.400 -0.012 0.000 0.841 192 E CB 0.073 29.763 29.700 -0.017 0.000 0.783 192 E HN 0.541 nan 8.360 nan 0.000 0.481 193 G N 1.690 110.420 108.800 -0.118 0.000 2.408 193 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 193 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 193 G C 1.421 176.410 174.900 0.148 0.000 1.150 193 G CA 0.925 45.893 45.100 -0.220 0.000 0.776 193 G HN 0.213 nan 8.290 nan 0.000 0.542 194 N N 0.578 119.367 118.700 0.149 0.000 2.106 194 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 194 N C 1.717 177.419 175.510 0.319 0.000 1.029 194 N CA 1.548 54.760 53.050 0.270 0.000 0.848 194 N CB -0.082 38.541 38.487 0.226 0.000 1.007 194 N HN 0.094 nan 8.380 nan 0.000 0.423 195 D N 0.330 120.841 120.400 0.185 0.000 2.104 195 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 195 D C 1.957 178.335 176.300 0.130 0.000 0.994 195 D CA 0.826 54.914 54.000 0.146 0.000 0.830 195 D CB -0.548 40.294 40.800 0.070 0.000 0.959 195 D HN 0.286 nan 8.370 nan 0.000 0.452 196 L N 0.145 121.419 121.223 0.086 0.000 2.017 196 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 196 L C 2.329 179.227 176.870 0.047 0.000 1.073 196 L CA 1.524 56.373 54.840 0.014 0.000 0.745 196 L CB -0.925 41.080 42.059 -0.091 0.000 0.894 196 L HN -0.000 nan 8.230 nan 0.000 0.432 197 Y N 0.238 120.522 120.300 -0.026 0.000 2.069 197 Y HA -0.354 4.196 4.550 -0.000 0.000 0.278 197 Y C 2.621 178.410 175.900 -0.184 0.000 1.175 197 Y CA 2.475 60.496 58.100 -0.131 0.000 1.134 197 Y CB -0.751 37.611 38.460 -0.164 0.000 0.965 197 Y HN 0.481 nan 8.280 nan 0.000 0.498 198 H N -0.787 118.256 119.070 -0.044 0.000 2.395 198 H HA -0.042 4.513 4.556 -0.000 0.000 0.299 198 H C 2.076 177.350 175.328 -0.090 0.000 1.070 198 H CA 1.459 57.422 56.048 -0.142 0.000 1.356 198 H CB -0.025 29.715 29.762 -0.037 0.000 1.401 198 H HN 0.447 nan 8.280 nan 0.000 0.524 199 E N 0.099 120.340 120.200 0.068 0.000 2.204 199 E HA -0.168 4.181 4.350 -0.000 0.000 0.195 199 E C 1.730 178.321 176.600 -0.014 0.000 0.990 199 E CA 0.959 57.389 56.400 0.050 0.000 0.821 199 E CB 0.007 29.735 29.700 0.047 0.000 0.750 199 E HN 0.514 nan 8.360 nan 0.000 0.477 200 M N -0.120 119.431 119.600 -0.082 0.000 2.288 200 M HA -0.054 4.426 4.480 -0.000 0.000 0.266 200 M C 2.063 178.281 176.300 -0.137 0.000 1.072 200 M CA 0.994 56.226 55.300 -0.114 0.000 1.132 200 M CB 0.070 32.590 32.600 -0.134 0.000 1.386 200 M HN 0.108 nan 8.290 nan 0.000 0.432 201 I N 0.042 120.489 120.570 -0.204 0.000 2.252 201 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 201 I C 2.249 178.300 176.117 -0.109 0.000 1.102 201 I CA 0.881 62.061 61.300 -0.199 0.000 1.385 201 I CB -0.390 37.431 38.000 -0.299 0.000 1.064 201 I HN 0.230 nan 8.210 nan 0.000 0.414 202 E N 0.737 120.896 120.200 -0.070 0.000 2.077 202 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 202 E C 2.324 178.889 176.600 -0.060 0.000 0.989 202 E CA 1.775 58.141 56.400 -0.056 0.000 0.800 202 E CB -0.620 29.064 29.700 -0.026 0.000 0.746 202 E HN 0.549 nan 8.360 nan 0.000 0.452 203 S N -0.587 115.089 115.700 -0.040 0.000 2.428 203 S HA 0.095 4.565 4.470 -0.000 0.000 0.230 203 S C 1.741 176.314 174.600 -0.045 0.000 1.014 203 S CA 1.119 59.300 58.200 -0.032 0.000 0.957 203 S CB 0.015 63.207 63.200 -0.014 0.000 0.784 203 S HN 0.391 nan 8.310 nan 0.000 0.499 204 G N 0.353 109.119 108.800 -0.057 0.000 2.176 204 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.232 204 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.232 204 G C 0.886 175.758 174.900 -0.047 0.000 0.986 204 G CA 0.538 45.606 45.100 -0.053 0.000 0.643 204 G HN 1.373 nan 8.290 nan 0.000 0.522 205 V N -1.619 118.265 119.914 -0.051 0.000 2.515 205 V HA 0.357 4.476 4.120 -0.000 0.000 0.250 205 V C 1.421 177.491 176.094 -0.040 0.000 1.058 205 V CA 1.506 63.781 62.300 -0.041 0.000 1.064 205 V CB -0.267 31.526 31.823 -0.050 0.000 0.675 205 V HN 0.466 nan 8.190 nan 0.000 0.461 206 I N 1.712 122.242 120.570 -0.066 0.000 2.404 206 I HA 0.457 4.627 4.170 -0.000 0.000 0.293 206 I C -0.470 175.597 176.117 -0.083 0.000 0.992 206 I CA -0.197 61.060 61.300 -0.072 0.000 1.149 206 I CB 1.599 39.537 38.000 -0.103 0.000 1.315 206 I HN 0.173 nan 8.210 nan 0.000 0.446 207 N N 6.639 125.303 118.700 -0.059 0.000 2.410 207 N HA 0.353 5.093 4.740 -0.000 0.000 0.287 207 N C -0.009 175.473 175.510 -0.045 0.000 1.044 207 N CA -0.421 52.595 53.050 -0.055 0.000 0.881 207 N CB 2.050 40.515 38.487 -0.037 0.000 1.405 207 N HN 0.567 nan 8.380 nan 0.000 0.490 208 L N 2.363 123.555 121.223 -0.053 0.000 2.591 208 L HA 0.152 4.492 4.340 -0.000 0.000 0.228 208 L C 1.637 178.496 176.870 -0.019 0.000 1.133 208 L CA 0.367 55.188 54.840 -0.032 0.000 0.880 208 L CB 0.048 42.085 42.059 -0.037 0.000 1.033 208 L HN 0.286 nan 8.230 nan 0.000 0.450 209 K N 0.131 120.518 120.400 -0.022 0.000 2.348 209 K HA 0.148 4.468 4.320 -0.000 0.000 0.194 209 K C 0.003 176.596 176.600 -0.012 0.000 1.052 209 K CA 0.413 56.691 56.287 -0.016 0.000 1.004 209 K CB 0.529 33.018 32.500 -0.018 0.000 0.873 209 K HN 0.433 nan 8.250 nan 0.000 0.523 210 D N -1.549 118.843 120.400 -0.013 0.000 2.958 210 D HA 0.334 4.974 4.640 -0.000 0.000 0.306 210 D C -0.304 175.991 176.300 -0.008 0.000 1.226 210 D CA -0.716 53.279 54.000 -0.009 0.000 1.032 210 D CB 0.200 40.996 40.800 -0.007 0.000 1.400 210 D HN -0.170 nan 8.370 nan 0.000 0.587 211 A N -0.787 122.031 122.820 -0.002 0.000 2.460 211 A HA 0.304 4.623 4.320 -0.000 0.000 0.258 211 A C 1.123 178.712 177.584 0.008 0.000 1.300 211 A CA 0.514 52.551 52.037 -0.001 0.000 0.913 211 A CB -0.862 18.141 19.000 0.005 0.000 1.031 211 A HN 0.563 nan 8.150 nan 0.000 0.512 212 T N -2.481 112.078 114.554 0.008 0.000 3.144 212 T HA 0.165 4.515 4.350 -0.000 0.000 0.249 212 T C 0.587 175.301 174.700 0.023 0.000 1.089 212 T CA 0.200 62.314 62.100 0.022 0.000 0.989 212 T CB -0.419 68.456 68.868 0.010 0.000 0.992 212 T HN 0.128 nan 8.240 nan 0.000 0.540 213 S N 1.867 117.570 115.700 0.005 0.000 2.549 213 S HA 0.185 4.655 4.470 -0.000 0.000 0.286 213 S C 0.973 175.591 174.600 0.030 0.000 1.314 213 S CA -0.428 57.772 58.200 -0.000 0.000 1.062 213 S CB 0.940 64.129 63.200 -0.018 0.000 0.865 213 S HN 0.499 nan 8.310 nan 0.000 0.498 214 K N 1.020 121.449 120.400 0.048 0.000 2.361 214 K HA 0.164 4.484 4.320 -0.000 0.000 0.194 214 K C -0.217 176.446 176.600 0.105 0.000 1.032 214 K CA 0.286 56.643 56.287 0.118 0.000 1.048 214 K CB 0.382 32.930 32.500 0.080 0.000 0.842 214 K HN 0.422 nan 8.250 nan 0.000 0.526 215 V N 0.347 120.292 119.914 0.052 0.000 2.823 215 V HA 0.656 4.776 4.120 -0.000 0.000 0.312 215 V C -0.693 175.432 176.094 0.050 0.000 1.072 215 V CA -1.506 60.837 62.300 0.072 0.000 0.937 215 V CB 1.675 33.535 31.823 0.061 0.000 1.013 215 V HN 0.026 nan 8.190 nan 0.000 0.430 216 A N 4.053 126.930 122.820 0.095 0.000 2.317 216 A HA 0.887 5.207 4.320 -0.000 0.000 0.327 216 A C -0.734 176.896 177.584 0.076 0.000 1.178 216 A CA -0.596 51.482 52.037 0.069 0.000 0.817 216 A CB 0.781 19.843 19.000 0.104 0.000 1.189 216 A HN 0.834 nan 8.150 nan 0.000 0.489 217 L N 2.465 123.675 121.223 -0.021 0.000 2.317 217 L HA 0.633 4.973 4.340 -0.000 0.000 0.281 217 L C -0.893 175.913 176.870 -0.106 0.000 1.024 217 L CA -0.914 53.885 54.840 -0.069 0.000 0.810 217 L CB 1.709 43.561 42.059 -0.345 0.000 1.240 217 L HN 0.407 nan 8.230 nan 0.000 0.427 218 V N 2.999 122.933 119.914 0.033 0.000 2.483 218 V HA 0.421 4.541 4.120 -0.000 0.000 0.297 218 V C -0.864 175.389 176.094 0.264 0.000 1.027 218 V CA -0.548 61.786 62.300 0.057 0.000 0.855 218 V CB 1.687 33.551 31.823 0.068 0.000 0.995 218 V HN 0.511 nan 8.190 nan 0.000 0.424 219 Y N 1.889 122.222 120.300 0.054 0.000 2.364 219 Y HA 0.688 5.238 4.550 -0.000 0.000 0.340 219 Y C 0.680 176.603 175.900 0.038 0.000 0.975 219 Y CA -1.053 57.084 58.100 0.060 0.000 1.089 219 Y CB 2.714 41.193 38.460 0.032 0.000 1.192 219 Y HN 0.715 nan 8.280 nan 0.000 0.454 220 G N 3.709 112.614 108.800 0.175 0.000 3.171 220 G HA2 0.297 4.256 3.960 -0.000 0.000 0.305 220 G HA3 0.297 4.256 3.960 -0.000 0.000 0.305 220 G C -1.221 173.705 174.900 0.044 0.000 1.584 220 G CA -0.414 44.742 45.100 0.093 0.000 1.070 220 G HN 0.493 nan 8.290 nan 0.000 0.535 221 Q N 1.018 120.834 119.800 0.027 0.000 2.417 221 Q HA 0.324 4.664 4.340 -0.000 0.000 0.241 221 Q C 1.929 177.926 176.000 -0.006 0.000 1.008 221 Q CA -0.248 55.548 55.803 -0.013 0.000 0.901 221 Q CB 1.120 29.850 28.738 -0.014 0.000 1.259 221 Q HN 0.570 nan 8.270 nan 0.000 0.489 222 M N 1.998 121.589 119.600 -0.016 0.000 2.192 222 M HA -0.288 4.192 4.480 -0.000 0.000 0.259 222 M C 0.600 176.896 176.300 -0.007 0.000 1.071 222 M CA 2.422 57.715 55.300 -0.011 0.000 1.082 222 M CB -0.204 32.388 32.600 -0.014 0.000 1.373 222 M HN 0.814 nan 8.290 nan 0.000 0.408 223 N N -0.872 117.825 118.700 -0.004 0.000 2.313 223 N HA 0.084 4.824 4.740 -0.000 0.000 0.207 223 N C -0.580 174.932 175.510 0.004 0.000 1.141 223 N CA -0.356 52.694 53.050 -0.000 0.000 0.830 223 N CB 0.255 38.742 38.487 0.001 0.000 1.008 223 N HN 0.408 nan 8.380 nan 0.000 0.481 224 E N 0.771 120.975 120.200 0.005 0.000 2.232 224 E HA 0.350 4.700 4.350 -0.000 0.000 0.265 224 E C -2.448 174.155 176.600 0.005 0.000 1.001 224 E CA -2.455 53.951 56.400 0.010 0.000 0.870 224 E CB 1.017 30.728 29.700 0.019 0.000 1.175 224 E HN 0.128 nan 8.360 nan 0.000 0.407 225 P HA -0.020 nan 4.420 nan 0.000 0.270 225 P C -2.036 175.262 177.300 -0.002 0.000 1.223 225 P CA -0.935 62.166 63.100 0.002 0.000 0.785 225 P CB 0.041 31.745 31.700 0.007 0.000 0.923 226 P HA -0.174 nan 4.420 nan 0.000 0.216 226 P C 1.527 178.815 177.300 -0.019 0.000 1.150 226 P CA 1.867 64.951 63.100 -0.027 0.000 0.837 226 P CB -0.558 31.119 31.700 -0.040 0.000 0.786 227 G N 0.599 109.397 108.800 -0.004 0.000 2.469 227 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 227 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 227 G C 1.797 176.713 174.900 0.027 0.000 1.150 227 G CA 1.224 46.332 45.100 0.012 0.000 0.763 227 G HN 0.388 nan 8.290 nan 0.000 0.561 228 A N 0.743 123.578 122.820 0.025 0.000 1.855 228 A HA 0.058 4.378 4.320 -0.000 0.000 0.215 228 A C 2.447 180.054 177.584 0.039 0.000 1.191 228 A CA 1.649 53.707 52.037 0.035 0.000 0.613 228 A CB -0.382 18.637 19.000 0.032 0.000 0.829 228 A HN 0.320 nan 8.150 nan 0.000 0.442 229 R N -0.338 120.178 120.500 0.027 0.000 2.120 229 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 229 R C 2.286 178.617 176.300 0.051 0.000 1.123 229 R CA 1.146 57.265 56.100 0.033 0.000 0.975 229 R CB -0.407 29.897 30.300 0.006 0.000 0.866 229 R HN 0.522 nan 8.270 nan 0.000 0.446 230 A N 0.615 123.446 122.820 0.018 0.000 1.969 230 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 230 A C 1.657 179.323 177.584 0.137 0.000 1.169 230 A CA 1.083 53.122 52.037 0.003 0.000 0.635 230 A CB -0.016 18.943 19.000 -0.069 0.000 0.810 230 A HN 0.048 nan 8.150 nan 0.000 0.445 231 R N -0.602 119.961 120.500 0.104 0.000 2.312 231 R HA 0.175 4.515 4.340 -0.000 0.000 0.205 231 R C 1.766 178.101 176.300 0.057 0.000 0.904 231 R CA 0.565 56.717 56.100 0.087 0.000 1.052 231 R CB -1.194 29.137 30.300 0.052 0.000 1.014 231 R HN 0.396 nan 8.270 nan 0.000 0.503 232 V N 1.530 121.491 119.914 0.077 0.000 2.282 232 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 232 V C 2.486 178.593 176.094 0.023 0.000 1.057 232 V CA 2.220 64.554 62.300 0.057 0.000 1.032 232 V CB -0.872 30.997 31.823 0.077 0.000 0.645 232 V HN 0.298 nan 8.190 nan 0.000 0.447 233 A N -0.270 122.562 122.820 0.019 0.000 1.948 233 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 233 A C 2.173 179.698 177.584 -0.099 0.000 1.177 233 A CA 2.029 54.007 52.037 -0.099 0.000 0.636 233 A CB -0.513 18.307 19.000 -0.300 0.000 0.815 233 A HN 0.564 nan 8.150 nan 0.000 0.449 234 L N -1.405 119.784 121.223 -0.057 0.000 2.095 234 L HA -0.094 4.246 4.340 -0.000 0.000 0.204 234 L C 2.698 179.513 176.870 -0.091 0.000 1.080 234 L CA 1.554 56.339 54.840 -0.091 0.000 0.759 234 L CB -1.376 40.602 42.059 -0.134 0.000 0.914 234 L HN 0.283 nan 8.230 nan 0.000 0.439 235 T N 0.428 114.939 114.554 -0.070 0.000 2.665 235 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 235 T C 1.889 176.565 174.700 -0.039 0.000 1.035 235 T CA 1.660 63.728 62.100 -0.053 0.000 1.151 235 T CB -0.602 68.250 68.868 -0.027 0.000 0.862 235 T HN 0.575 nan 8.240 nan 0.000 0.438 236 G N 1.251 110.036 108.800 -0.025 0.000 2.402 236 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 236 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 236 G C 1.474 176.369 174.900 -0.009 0.000 1.162 236 G CA 0.354 45.452 45.100 -0.004 0.000 0.777 236 G HN 0.323 nan 8.290 nan 0.000 0.539 237 L N 1.335 122.533 121.223 -0.042 0.000 2.042 237 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 237 L C 3.031 179.886 176.870 -0.024 0.000 1.076 237 L CA 2.237 57.051 54.840 -0.042 0.000 0.749 237 L CB -1.220 40.795 42.059 -0.073 0.000 0.893 237 L HN 0.208 nan 8.230 nan 0.000 0.432 238 T N -1.218 113.312 114.554 -0.040 0.000 2.684 238 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 238 T C 2.046 176.717 174.700 -0.048 0.000 1.036 238 T CA 1.587 63.662 62.100 -0.041 0.000 1.148 238 T CB -0.382 68.453 68.868 -0.055 0.000 0.863 238 T HN 0.170 nan 8.240 nan 0.000 0.436 239 V N 1.877 121.755 119.914 -0.060 0.000 2.287 239 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 239 V C 2.934 179.000 176.094 -0.048 0.000 1.053 239 V CA 1.779 64.016 62.300 -0.105 0.000 1.027 239 V CB -1.343 30.451 31.823 -0.047 0.000 0.646 239 V HN 0.546 nan 8.190 nan 0.000 0.447 240 A N -0.317 122.558 122.820 0.092 0.000 1.917 240 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 240 A C 2.158 179.830 177.584 0.147 0.000 1.182 240 A CA 2.182 54.342 52.037 0.204 0.000 0.633 240 A CB -0.571 18.507 19.000 0.129 0.000 0.819 240 A HN 0.655 nan 8.150 nan 0.000 0.448 241 E N -1.927 118.306 120.200 0.055 0.000 2.204 241 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 241 E C 1.759 178.368 176.600 0.015 0.000 0.989 241 E CA 1.229 57.647 56.400 0.031 0.000 0.824 241 E CB -0.292 29.412 29.700 0.007 0.000 0.756 241 E HN 0.838 nan 8.360 nan 0.000 0.477 242 Y N 0.379 120.584 120.300 -0.157 0.000 2.145 242 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 242 Y C 1.727 177.535 175.900 -0.152 0.000 1.145 242 Y CA 1.677 59.639 58.100 -0.229 0.000 1.148 242 Y CB -0.293 37.915 38.460 -0.421 0.000 0.981 242 Y HN -0.038 nan 8.280 nan 0.000 0.507 243 F N 0.052 120.116 119.950 0.189 0.000 2.102 243 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 243 F C 2.815 178.623 175.800 0.012 0.000 1.105 243 F CA 1.528 59.609 58.000 0.135 0.000 1.239 243 F CB -0.474 38.672 39.000 0.243 0.000 0.991 243 F HN -0.067 nan 8.300 nan 0.000 0.474 244 R N 0.718 121.330 120.500 0.186 0.000 2.070 244 R HA -0.171 4.169 4.340 -0.000 0.000 0.233 244 R C 1.721 178.018 176.300 -0.004 0.000 1.137 244 R CA 2.240 58.386 56.100 0.076 0.000 0.945 244 R CB -0.425 29.905 30.300 0.051 0.000 0.845 244 R HN 0.258 nan 8.270 nan 0.000 0.430 245 D N -0.360 120.005 120.400 -0.058 0.000 2.144 245 D HA -0.089 4.551 4.640 -0.000 0.000 0.207 245 D C 2.064 178.268 176.300 -0.160 0.000 0.970 245 D CA 0.807 54.751 54.000 -0.093 0.000 0.853 245 D CB 0.027 40.778 40.800 -0.082 0.000 1.007 245 D HN 0.302 nan 8.370 nan 0.000 0.469 246 Q N 0.598 120.199 119.800 -0.331 0.000 2.245 246 Q HA -0.020 4.320 4.340 -0.000 0.000 0.201 246 Q C 1.300 177.124 176.000 -0.293 0.000 0.955 246 Q CA 0.770 56.315 55.803 -0.431 0.000 0.870 246 Q CB 0.106 28.280 28.738 -0.940 0.000 0.945 246 Q HN 0.465 nan 8.270 nan 0.000 0.461 247 E N -0.483 119.594 120.200 -0.206 0.000 2.498 247 E HA 0.174 4.524 4.350 -0.000 0.000 0.203 247 E C 0.236 176.849 176.600 0.021 0.000 1.013 247 E CA 0.159 56.551 56.400 -0.012 0.000 0.927 247 E CB 0.726 30.530 29.700 0.173 0.000 1.012 247 E HN 0.398 nan 8.360 nan 0.000 0.482 248 G N 2.613 111.408 108.800 -0.008 0.000 2.295 248 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.287 248 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.287 248 G C -0.033 174.875 174.900 0.013 0.000 1.055 248 G CA 0.566 45.664 45.100 -0.003 0.000 0.922 248 G HN 0.214 nan 8.290 nan 0.000 0.503 249 Q N -0.776 119.048 119.800 0.040 0.000 2.333 249 Q HA 0.486 4.825 4.340 -0.000 0.000 0.266 249 Q C -0.840 175.168 176.000 0.014 0.000 1.053 249 Q CA -0.971 54.850 55.803 0.031 0.000 0.890 249 Q CB 1.209 29.988 28.738 0.067 0.000 1.337 249 Q HN 0.259 nan 8.270 nan 0.000 0.474 250 D N 1.344 121.732 120.400 -0.019 0.000 2.373 250 D HA 0.296 4.936 4.640 -0.000 0.000 0.227 250 D C -0.957 175.337 176.300 -0.011 0.000 1.091 250 D CA -0.053 53.928 54.000 -0.033 0.000 0.840 250 D CB 1.433 42.178 40.800 -0.093 0.000 1.060 250 D HN 0.102 nan 8.370 nan 0.000 0.502 251 V N 2.408 122.338 119.914 0.026 0.000 2.732 251 V HA 0.429 4.549 4.120 -0.000 0.000 0.310 251 V C 0.298 176.404 176.094 0.021 0.000 1.053 251 V CA -0.950 61.389 62.300 0.064 0.000 0.957 251 V CB 2.433 34.352 31.823 0.160 0.000 1.018 251 V HN 0.378 nan 8.190 nan 0.000 0.452 252 L N 3.773 125.017 121.223 0.034 0.000 2.305 252 L HA 0.558 4.898 4.340 -0.000 0.000 0.284 252 L C -1.049 175.773 176.870 -0.078 0.000 1.013 252 L CA -0.680 54.115 54.840 -0.074 0.000 0.819 252 L CB 1.505 43.541 42.059 -0.038 0.000 1.227 252 L HN 0.570 nan 8.230 nan 0.000 0.417 253 L N 5.091 126.195 121.223 -0.200 0.000 2.280 253 L HA 0.506 4.846 4.340 -0.000 0.000 0.287 253 L C -1.093 175.590 176.870 -0.310 0.000 1.023 253 L CA 0.212 54.972 54.840 -0.135 0.000 0.819 253 L CB 0.832 42.833 42.059 -0.096 0.000 1.212 253 L HN 0.239 nan 8.230 nan 0.000 0.420 254 F N 5.908 125.821 119.950 -0.062 0.000 2.404 254 F HA 0.519 5.046 4.527 -0.000 0.000 0.345 254 F C 0.239 175.817 175.800 -0.371 0.000 1.110 254 F CA -0.258 57.642 58.000 -0.167 0.000 1.130 254 F CB 0.970 39.939 39.000 -0.052 0.000 1.129 254 F HN 0.257 nan 8.300 nan 0.000 0.500 255 I N 2.921 123.368 120.570 -0.205 0.000 2.439 255 I HA 0.239 4.408 4.170 -0.000 0.000 0.283 255 I C -1.216 174.757 176.117 -0.239 0.000 1.023 255 I CA -0.514 60.622 61.300 -0.273 0.000 1.100 255 I CB 1.691 39.547 38.000 -0.238 0.000 1.238 255 I HN 0.419 nan 8.210 nan 0.000 0.445 256 D N 7.011 127.226 120.400 -0.308 0.000 2.440 256 D HA 0.321 4.961 4.640 -0.000 0.000 0.252 256 D C -1.024 175.255 176.300 -0.036 0.000 1.180 256 D CA -0.276 53.646 54.000 -0.129 0.000 0.894 256 D CB 0.993 41.759 40.800 -0.057 0.000 1.111 256 D HN 0.737 nan 8.370 nan 0.000 0.544 257 N N 1.940 120.652 118.700 0.020 0.000 2.509 257 N HA 0.271 5.011 4.740 -0.000 0.000 0.280 257 N C 0.504 176.056 175.510 0.070 0.000 1.306 257 N CA -0.830 52.237 53.050 0.028 0.000 0.782 257 N CB 1.404 39.932 38.487 0.068 0.000 1.493 257 N HN 0.058 nan 8.380 nan 0.000 0.498 258 I N 0.318 120.919 120.570 0.052 0.000 2.394 258 I HA -0.062 4.108 4.170 -0.000 0.000 0.251 258 I C 1.663 177.909 176.117 0.216 0.000 1.136 258 I CA 0.938 62.291 61.300 0.088 0.000 1.425 258 I CB -0.565 37.428 38.000 -0.011 0.000 1.079 258 I HN 0.711 nan 8.210 nan 0.000 0.425 259 F N 1.567 121.578 119.950 0.101 0.000 2.126 259 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 259 F C 2.488 178.367 175.800 0.132 0.000 1.096 259 F CA 1.797 59.885 58.000 0.146 0.000 1.255 259 F CB -0.384 38.742 39.000 0.210 0.000 0.997 259 F HN -0.030 nan 8.300 nan 0.000 0.479 260 R N -1.041 119.481 120.500 0.036 0.000 2.148 260 R HA -0.121 4.219 4.340 -0.000 0.000 0.223 260 R C 2.226 178.492 176.300 -0.056 0.000 1.088 260 R CA 1.300 57.345 56.100 -0.092 0.000 0.985 260 R CB -0.809 29.511 30.300 0.034 0.000 0.880 260 R HN 0.427 nan 8.270 nan 0.000 0.451 261 F N 1.660 121.552 119.950 -0.097 0.000 2.095 261 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 261 F C 2.015 177.756 175.800 -0.097 0.000 1.104 261 F CA 1.732 59.682 58.000 -0.082 0.000 1.232 261 F CB -0.414 38.545 39.000 -0.068 0.000 0.987 261 F HN -0.176 nan 8.300 nan 0.000 0.475 262 T N 0.302 114.739 114.554 -0.194 0.000 2.777 262 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 262 T C 1.918 176.459 174.700 -0.265 0.000 1.040 262 T CA 1.504 63.441 62.100 -0.271 0.000 1.141 262 T CB -0.381 68.433 68.868 -0.088 0.000 0.868 262 T HN 0.445 nan 8.240 nan 0.000 0.444 263 Q N 0.635 120.215 119.800 -0.367 0.000 2.061 263 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 263 Q C 2.521 178.390 176.000 -0.219 0.000 0.984 263 Q CA 1.720 57.315 55.803 -0.347 0.000 0.846 263 Q CB -0.312 28.118 28.738 -0.513 0.000 0.902 263 Q HN 0.536 nan 8.270 nan 0.000 0.421 264 A N 0.342 123.035 122.820 -0.213 0.000 1.933 264 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 264 A C 2.242 179.716 177.584 -0.182 0.000 1.175 264 A CA 1.655 53.594 52.037 -0.163 0.000 0.628 264 A CB -1.194 17.728 19.000 -0.129 0.000 0.814 264 A HN 0.617 nan 8.150 nan 0.000 0.444 265 G N -1.021 107.611 108.800 -0.280 0.000 2.418 265 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 265 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 265 G C 1.908 176.724 174.900 -0.139 0.000 1.158 265 G CA 1.410 46.356 45.100 -0.257 0.000 0.771 265 G HN 0.537 nan 8.290 nan 0.000 0.545 266 S N 0.229 115.864 115.700 -0.109 0.000 2.368 266 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 266 S C 2.275 176.833 174.600 -0.070 0.000 1.030 266 S CA 1.879 60.045 58.200 -0.056 0.000 0.999 266 S CB -0.252 62.920 63.200 -0.045 0.000 0.844 266 S HN 0.596 nan 8.310 nan 0.000 0.459 267 E N -0.018 120.131 120.200 -0.085 0.000 2.072 267 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 267 E C 2.136 178.705 176.600 -0.052 0.000 0.985 267 E CA 1.221 57.582 56.400 -0.066 0.000 0.801 267 E CB -0.164 29.497 29.700 -0.066 0.000 0.750 267 E HN 0.334 nan 8.360 nan 0.000 0.452 268 V N 0.892 120.771 119.914 -0.058 0.000 2.295 268 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 268 V C 2.421 178.494 176.094 -0.034 0.000 1.049 268 V CA 1.996 64.271 62.300 -0.042 0.000 1.024 268 V CB -0.459 31.335 31.823 -0.047 0.000 0.648 268 V HN 0.272 nan 8.190 nan 0.000 0.447 269 S N -0.397 115.280 115.700 -0.039 0.000 2.382 269 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 269 S C 2.106 176.694 174.600 -0.021 0.000 1.027 269 S CA 1.578 59.763 58.200 -0.026 0.000 0.991 269 S CB -0.291 62.895 63.200 -0.023 0.000 0.823 269 S HN 0.616 nan 8.310 nan 0.000 0.469 270 A N 1.485 124.289 122.820 -0.027 0.000 1.898 270 A HA 0.086 4.406 4.320 -0.000 0.000 0.216 270 A C 2.194 179.767 177.584 -0.018 0.000 1.181 270 A CA 1.283 53.306 52.037 -0.024 0.000 0.620 270 A CB -0.796 18.185 19.000 -0.032 0.000 0.819 270 A HN 0.567 nan 8.150 nan 0.000 0.442 271 L N -0.568 120.644 121.223 -0.019 0.000 2.042 271 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 271 L C 2.176 179.041 176.870 -0.007 0.000 1.076 271 L CA 1.171 56.003 54.840 -0.013 0.000 0.749 271 L CB -0.539 41.513 42.059 -0.012 0.000 0.893 271 L HN 0.372 nan 8.230 nan 0.000 0.432 272 L N -0.184 121.035 121.223 -0.008 0.000 2.622 272 L HA 0.021 4.361 4.340 -0.000 0.000 0.233 272 L C 1.406 178.274 176.870 -0.003 0.000 1.156 272 L CA 0.527 55.365 54.840 -0.003 0.000 0.866 272 L CB -0.785 41.272 42.059 -0.004 0.000 0.980 272 L HN 0.539 nan 8.230 nan 0.000 0.448 273 G N 0.834 109.631 108.800 -0.005 0.000 2.176 273 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.252 273 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.252 273 G C 0.246 175.144 174.900 -0.003 0.000 1.024 273 G CA -0.112 44.986 45.100 -0.004 0.000 0.755 273 G HN 0.398 nan 8.290 nan 0.000 0.507 274 R N -0.662 119.835 120.500 -0.004 0.000 2.441 274 R HA 0.494 4.834 4.340 -0.000 0.000 0.284 274 R C 0.974 177.273 176.300 -0.001 0.000 1.070 274 R CA -0.669 55.430 56.100 -0.002 0.000 1.047 274 R CB 0.858 31.157 30.300 -0.002 0.000 1.016 274 R HN 0.314 nan 8.270 nan 0.000 0.477 275 I N 5.172 125.743 120.570 0.002 0.000 2.662 275 I HA 0.008 4.178 4.170 -0.000 0.000 0.285 275 I C -1.748 174.374 176.117 0.008 0.000 1.161 275 I CA -1.433 59.869 61.300 0.004 0.000 1.415 275 I CB 0.372 38.376 38.000 0.006 0.000 1.385 275 I HN 0.285 nan 8.210 nan 0.000 0.552 276 P HA 0.096 nan 4.420 nan 0.000 0.272 276 P C -0.225 177.092 177.300 0.029 0.000 1.223 276 P CA -0.205 62.902 63.100 0.013 0.000 0.784 276 P CB 0.916 32.613 31.700 -0.005 0.000 0.923 277 S N 1.075 116.807 115.700 0.053 0.000 2.495 277 S HA 0.619 5.089 4.470 -0.000 0.000 0.273 277 S C -0.099 174.552 174.600 0.085 0.000 1.156 277 S CA -0.363 57.878 58.200 0.068 0.000 1.032 277 S CB -0.160 63.089 63.200 0.082 0.000 1.160 277 S HN 0.525 nan 8.310 nan 0.000 0.489 278 A N 0.305 123.186 122.820 0.102 0.000 2.540 278 A HA 0.390 4.710 4.320 -0.000 0.000 0.239 278 A C 0.977 178.666 177.584 0.175 0.000 1.061 278 A CA 0.380 52.484 52.037 0.112 0.000 0.758 278 A CB -0.824 18.237 19.000 0.102 0.000 0.991 278 A HN 1.604 nan 8.150 nan 0.000 0.502 279 V N 1.358 121.344 119.914 0.120 0.000 3.774 279 V HA -0.319 3.801 4.120 -0.000 0.000 0.216 279 V C 1.824 177.883 176.094 -0.059 0.000 0.441 279 V CA 1.712 64.071 62.300 0.100 0.000 0.985 279 V CB -2.449 29.520 31.823 0.243 0.000 1.085 279 V HN 2.923 nan 8.190 nan 0.000 1.240 280 G N -2.683 106.090 108.800 -0.045 0.000 2.217 280 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.246 280 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.246 280 G C -0.044 174.758 174.900 -0.162 0.000 0.990 280 G CA 0.259 45.276 45.100 -0.138 0.000 0.627 280 G HN 0.854 nan 8.290 nan 0.000 0.522 281 Y N 2.117 122.426 120.300 0.015 0.000 2.296 281 Y HA 0.401 4.951 4.550 -0.000 0.000 0.343 281 Y C 1.433 177.325 175.900 -0.012 0.000 1.292 281 Y CA 0.184 58.283 58.100 -0.002 0.000 1.490 281 Y CB 0.356 38.823 38.460 0.012 0.000 1.359 281 Y HN 0.386 nan 8.280 nan 0.000 0.599 282 Q N 1.837 121.733 119.800 0.160 0.000 2.373 282 Q HA 0.124 4.464 4.340 -0.000 0.000 0.255 282 Q C -2.421 173.618 176.000 0.064 0.000 0.980 282 Q CA -1.787 54.055 55.803 0.065 0.000 0.882 282 Q CB 0.912 29.662 28.738 0.020 0.000 1.249 282 Q HN 0.363 nan 8.270 nan 0.000 0.438 283 P HA -0.125 nan 4.420 nan 0.000 0.219 283 P C 0.835 178.150 177.300 0.026 0.000 1.146 283 P CA 1.865 64.985 63.100 0.033 0.000 0.808 283 P CB -0.038 31.674 31.700 0.020 0.000 0.779 284 T N -3.955 110.609 114.554 0.017 0.000 3.278 284 T HA 0.137 4.487 4.350 -0.000 0.000 0.251 284 T C 1.360 176.067 174.700 0.012 0.000 1.039 284 T CA -0.304 61.803 62.100 0.012 0.000 0.935 284 T CB -0.862 68.006 68.868 -0.000 0.000 1.034 284 T HN -0.139 nan 8.240 nan 0.000 0.575 285 L N 1.786 123.019 121.223 0.017 0.000 2.021 285 L HA -0.042 4.298 4.340 -0.000 0.000 0.215 285 L C 2.619 179.502 176.870 0.022 0.000 1.074 285 L CA 2.308 57.150 54.840 0.003 0.000 0.760 285 L CB -1.022 41.031 42.059 -0.009 0.000 0.889 285 L HN 0.405 nan 8.230 nan 0.000 0.433 286 A N -2.038 120.807 122.820 0.041 0.000 1.975 286 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 286 A C 2.223 179.863 177.584 0.093 0.000 1.170 286 A CA 1.494 53.578 52.037 0.079 0.000 0.656 286 A CB -0.974 18.068 19.000 0.071 0.000 0.821 286 A HN 0.606 nan 8.150 nan 0.000 0.449 287 T N -1.920 112.672 114.554 0.063 0.000 2.851 287 T HA -0.104 4.246 4.350 -0.000 0.000 0.262 287 T C 1.361 176.100 174.700 0.066 0.000 1.043 287 T CA 1.219 63.355 62.100 0.061 0.000 1.140 287 T CB -0.451 68.441 68.868 0.039 0.000 0.872 287 T HN 0.279 nan 8.240 nan 0.000 0.446 288 D N 1.128 121.560 120.400 0.053 0.000 2.116 288 D HA -0.104 4.536 4.640 -0.000 0.000 0.193 288 D C 1.938 178.340 176.300 0.170 0.000 0.998 288 D CA 1.297 55.336 54.000 0.066 0.000 0.836 288 D CB -0.409 40.371 40.800 -0.034 0.000 0.951 288 D HN 0.308 nan 8.370 nan 0.000 0.449 289 M N 0.498 120.190 119.600 0.153 0.000 2.099 289 M HA 0.020 4.500 4.480 -0.000 0.000 0.262 289 M C 2.007 178.282 176.300 -0.041 0.000 1.067 289 M CA 1.953 57.340 55.300 0.145 0.000 1.124 289 M CB -0.752 31.903 32.600 0.091 0.000 1.353 289 M HN -0.001 nan 8.290 nan 0.000 0.410 290 G N -1.232 107.589 108.800 0.036 0.000 2.418 290 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 290 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 290 G C 1.453 176.377 174.900 0.039 0.000 1.158 290 G CA 1.629 46.773 45.100 0.073 0.000 0.771 290 G HN 0.606 nan 8.290 nan 0.000 0.545 291 T N -1.663 112.924 114.554 0.056 0.000 2.881 291 T HA -0.038 4.312 4.350 -0.000 0.000 0.270 291 T C 2.162 176.881 174.700 0.032 0.000 1.068 291 T CA 1.506 63.640 62.100 0.056 0.000 1.131 291 T CB -0.092 68.822 68.868 0.076 0.000 0.871 291 T HN 0.161 nan 8.240 nan 0.000 0.479 292 M N 0.520 120.125 119.600 0.007 0.000 2.276 292 M HA 0.075 4.554 4.480 -0.000 0.000 0.262 292 M C 2.249 178.455 176.300 -0.158 0.000 1.098 292 M CA 1.252 56.505 55.300 -0.079 0.000 1.167 292 M CB -0.569 31.940 32.600 -0.151 0.000 1.337 292 M HN 0.154 nan 8.290 nan 0.000 0.446 293 Q N 0.525 120.185 119.800 -0.233 0.000 2.226 293 Q HA -0.147 4.192 4.340 -0.000 0.000 0.204 293 Q C 1.582 177.523 176.000 -0.097 0.000 0.975 293 Q CA 1.146 56.797 55.803 -0.252 0.000 0.866 293 Q CB -0.363 28.053 28.738 -0.536 0.000 0.915 293 Q HN 0.572 nan 8.270 nan 0.000 0.440 294 E N 0.416 120.594 120.200 -0.037 0.000 2.478 294 E HA -0.066 4.284 4.350 -0.000 0.000 0.198 294 E C 1.496 178.098 176.600 0.003 0.000 1.046 294 E CA 0.245 56.659 56.400 0.023 0.000 0.870 294 E CB 0.068 29.803 29.700 0.058 0.000 0.818 294 E HN 0.307 nan 8.360 nan 0.000 0.527 295 R N 0.025 120.510 120.500 -0.025 0.000 2.276 295 R HA 0.175 4.515 4.340 -0.000 0.000 0.196 295 R C 0.646 176.925 176.300 -0.035 0.000 0.961 295 R CA 0.114 56.200 56.100 -0.024 0.000 1.024 295 R CB 0.281 30.562 30.300 -0.030 0.000 0.940 295 R HN 0.024 nan 8.270 nan 0.000 0.480 296 I N 2.195 122.735 120.570 -0.050 0.000 2.269 296 I HA 0.095 4.265 4.170 -0.000 0.000 0.293 296 I C 0.020 176.116 176.117 -0.036 0.000 1.106 296 I CA -0.048 61.218 61.300 -0.057 0.000 1.248 296 I CB 0.760 38.705 38.000 -0.092 0.000 1.444 296 I HN 0.054 nan 8.210 nan 0.000 0.497 297 T N 0.074 114.611 114.554 -0.029 0.000 2.792 297 T HA 0.403 4.753 4.350 -0.000 0.000 0.303 297 T C -0.297 174.386 174.700 -0.028 0.000 1.310 297 T CA -0.887 61.200 62.100 -0.023 0.000 1.007 297 T CB 1.618 70.479 68.868 -0.012 0.000 1.335 297 T HN 0.167 nan 8.240 nan 0.000 0.504 298 T N 2.640 117.176 114.554 -0.030 0.000 2.780 298 T HA 0.614 4.964 4.350 -0.000 0.000 0.294 298 T C 0.725 175.403 174.700 -0.036 0.000 0.949 298 T CA -0.403 61.677 62.100 -0.034 0.000 1.074 298 T CB 0.757 69.602 68.868 -0.037 0.000 0.910 298 T HN 1.005 nan 8.240 nan 0.000 0.501 299 T N 0.454 114.988 114.554 -0.033 0.000 2.844 299 T HA 0.484 4.834 4.350 -0.000 0.000 0.274 299 T C 1.139 175.817 174.700 -0.037 0.000 0.991 299 T CA -0.981 61.097 62.100 -0.036 0.000 0.983 299 T CB 1.336 70.187 68.868 -0.029 0.000 1.310 299 T HN 0.340 nan 8.240 nan 0.000 0.596 300 K N -0.004 120.374 120.400 -0.037 0.000 2.155 300 K HA 0.093 4.413 4.320 -0.000 0.000 0.203 300 K C 2.271 178.853 176.600 -0.029 0.000 1.052 300 K CA 0.932 57.198 56.287 -0.034 0.000 0.948 300 K CB -0.060 32.419 32.500 -0.034 0.000 0.728 300 K HN 0.484 nan 8.250 nan 0.000 0.448 301 K N -0.350 120.033 120.400 -0.028 0.000 2.155 301 K HA 0.012 4.332 4.320 -0.000 0.000 0.203 301 K C 0.976 177.563 176.600 -0.022 0.000 1.052 301 K CA 0.877 57.148 56.287 -0.026 0.000 0.948 301 K CB 0.338 32.819 32.500 -0.031 0.000 0.728 301 K HN 0.271 nan 8.250 nan 0.000 0.448 302 G N -0.239 108.548 108.800 -0.022 0.000 2.399 302 G HA2 0.189 4.149 3.960 -0.000 0.000 0.256 302 G HA3 0.189 4.149 3.960 -0.000 0.000 0.256 302 G C -1.584 173.303 174.900 -0.022 0.000 1.236 302 G CA -0.271 44.818 45.100 -0.019 0.000 0.914 302 G HN 0.122 nan 8.290 nan 0.000 0.482 303 S N -1.212 114.477 115.700 -0.019 0.000 2.564 303 S HA 0.790 5.260 4.470 -0.000 0.000 0.274 303 S C -1.149 173.443 174.600 -0.013 0.000 1.124 303 S CA -0.765 57.421 58.200 -0.024 0.000 0.869 303 S CB 1.802 64.978 63.200 -0.040 0.000 1.105 303 S HN 0.927 nan 8.310 nan 0.000 0.472 304 I N 2.110 122.668 120.570 -0.021 0.000 2.378 304 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 304 I C -0.268 175.812 176.117 -0.061 0.000 0.992 304 I CA -0.441 60.844 61.300 -0.026 0.000 1.154 304 I CB 2.158 40.146 38.000 -0.019 0.000 1.315 304 I HN 0.621 nan 8.210 nan 0.000 0.448 305 T N 3.710 118.214 114.554 -0.084 0.000 2.859 305 T HA 0.403 4.752 4.350 -0.000 0.000 0.281 305 T C -0.331 174.249 174.700 -0.201 0.000 1.005 305 T CA -0.609 61.417 62.100 -0.124 0.000 1.025 305 T CB 1.612 70.418 68.868 -0.102 0.000 0.977 305 T HN 0.548 nan 8.240 nan 0.000 0.458 306 S N 2.005 117.562 115.700 -0.238 0.000 2.605 306 S HA 0.575 5.045 4.470 -0.000 0.000 0.308 306 S C -0.792 173.595 174.600 -0.355 0.000 1.113 306 S CA -0.653 57.367 58.200 -0.301 0.000 1.049 306 S CB 0.607 63.667 63.200 -0.233 0.000 1.001 306 S HN 0.463 nan 8.310 nan 0.000 0.480 307 V N 5.971 125.611 119.914 -0.457 0.000 2.370 307 V HA 0.474 4.594 4.120 -0.000 0.000 0.279 307 V C -0.308 175.666 176.094 -0.200 0.000 1.029 307 V CA -0.458 61.638 62.300 -0.340 0.000 0.870 307 V CB 1.207 32.852 31.823 -0.296 0.000 0.984 307 V HN 0.865 nan 8.190 nan 0.000 0.451 308 Q N 3.396 123.088 119.800 -0.180 0.000 2.339 308 Q HA 0.646 4.986 4.340 -0.000 0.000 0.268 308 Q C -0.222 175.676 176.000 -0.169 0.000 1.027 308 Q CA -0.536 55.164 55.803 -0.171 0.000 0.759 308 Q CB 2.218 30.832 28.738 -0.207 0.000 1.244 308 Q HN 0.879 nan 8.270 nan 0.000 0.464 309 A N 4.042 126.799 122.820 -0.104 0.000 2.492 309 A HA 0.356 4.676 4.320 -0.000 0.000 0.254 309 A C -0.277 177.208 177.584 -0.164 0.000 1.091 309 A CA 0.115 52.090 52.037 -0.103 0.000 0.768 309 A CB -0.095 18.905 19.000 -0.001 0.000 1.028 309 A HN 0.746 nan 8.150 nan 0.000 0.498 310 I N 2.652 123.017 120.570 -0.341 0.000 2.389 310 I HA 0.236 4.406 4.170 -0.000 0.000 0.288 310 I C -0.726 175.273 176.117 -0.195 0.000 0.999 310 I CA -0.485 60.601 61.300 -0.357 0.000 1.129 310 I CB 1.485 39.035 38.000 -0.750 0.000 1.288 310 I HN 0.730 nan 8.210 nan 0.000 0.444 311 Y N 6.937 127.169 120.300 -0.113 0.000 2.320 311 Y HA 0.552 5.102 4.550 -0.000 0.000 0.334 311 Y C -0.619 175.197 175.900 -0.140 0.000 1.055 311 Y CA -0.625 57.395 58.100 -0.133 0.000 1.143 311 Y CB 1.314 39.646 38.460 -0.213 0.000 1.193 311 Y HN 0.260 nan 8.280 nan 0.000 0.477 312 V N 9.232 128.717 119.914 -0.716 0.000 2.294 312 V HA 0.301 4.421 4.120 -0.000 0.000 0.272 312 V C -2.172 173.480 176.094 -0.737 0.000 1.027 312 V CA -2.026 60.008 62.300 -0.443 0.000 0.823 312 V CB 0.551 32.317 31.823 -0.094 0.000 1.030 312 V HN 0.703 nan 8.190 nan 0.000 0.457 313 P HA 0.136 nan 4.420 nan 0.000 0.264 313 P C 0.647 177.892 177.300 -0.092 0.000 1.193 313 P CA 0.806 63.787 63.100 -0.198 0.000 0.763 313 P CB 0.978 32.719 31.700 0.069 0.000 0.810 314 A N 3.575 126.364 122.820 -0.052 0.000 2.861 314 A HA -0.253 4.067 4.320 -0.000 0.000 0.261 314 A C 0.802 178.362 177.584 -0.040 0.000 1.351 314 A CA 1.350 53.378 52.037 -0.015 0.000 0.904 314 A CB -2.600 16.415 19.000 0.025 0.000 1.076 314 A HN 0.575 nan 8.150 nan 0.000 0.729 315 D N -1.784 118.557 120.400 -0.098 0.000 3.059 315 D HA -0.168 4.472 4.640 -0.000 0.000 0.220 315 D C -0.264 176.013 176.300 -0.037 0.000 1.169 315 D CA 1.972 55.928 54.000 -0.074 0.000 0.902 315 D CB -1.350 39.425 40.800 -0.041 0.000 1.116 315 D HN 0.919 nan 8.370 nan 0.000 0.417 316 D N 0.268 120.653 120.400 -0.024 0.000 2.443 316 D HA 0.267 4.907 4.640 -0.000 0.000 0.221 316 D C 1.432 177.749 176.300 0.029 0.000 1.097 316 D CA -0.462 53.541 54.000 0.005 0.000 0.865 316 D CB 0.384 41.199 40.800 0.026 0.000 1.034 316 D HN 0.076 nan 8.370 nan 0.000 0.511 317 L N 2.437 123.669 121.223 0.014 0.000 2.362 317 L HA -0.090 4.250 4.340 -0.000 0.000 0.219 317 L C 2.188 179.062 176.870 0.008 0.000 1.134 317 L CA 1.288 56.144 54.840 0.026 0.000 0.807 317 L CB -0.329 41.675 42.059 -0.092 0.000 0.927 317 L HN 0.475 nan 8.230 nan 0.000 0.447 318 T N -4.850 109.705 114.554 0.001 0.000 3.100 318 T HA -0.055 4.295 4.350 -0.000 0.000 0.253 318 T C 0.801 175.530 174.700 0.048 0.000 1.118 318 T CA -0.413 61.691 62.100 0.007 0.000 1.058 318 T CB -0.265 68.600 68.868 -0.006 0.000 0.953 318 T HN 0.182 nan 8.240 nan 0.000 0.515 319 D N 2.932 123.379 120.400 0.078 0.000 2.583 319 D HA 0.001 4.641 4.640 -0.000 0.000 0.232 319 D C -1.470 174.874 176.300 0.073 0.000 1.128 319 D CA -1.181 52.892 54.000 0.122 0.000 0.859 319 D CB 1.414 42.316 40.800 0.170 0.000 1.169 319 D HN 0.055 nan 8.370 nan 0.000 0.481 320 P HA -0.174 nan 4.420 nan 0.000 0.217 320 P C 0.786 177.934 177.300 -0.254 0.000 1.148 320 P CA 1.647 64.668 63.100 -0.130 0.000 0.834 320 P CB 0.163 31.752 31.700 -0.185 0.000 0.783 321 A N 0.278 122.886 122.820 -0.352 0.000 1.841 321 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 321 A C -0.047 177.582 177.584 0.075 0.000 1.195 321 A CA 1.865 53.789 52.037 -0.187 0.000 0.611 321 A CB -2.158 16.858 19.000 0.027 0.000 0.835 321 A HN 0.209 nan 8.150 nan 0.000 0.443 322 P HA -0.084 nan 4.420 nan 0.000 0.218 322 P C 1.560 179.101 177.300 0.401 0.000 1.149 322 P CA 1.854 65.124 63.100 0.283 0.000 0.817 322 P CB -0.181 31.738 31.700 0.364 0.000 0.785 323 A N 0.002 122.976 122.820 0.257 0.000 1.908 323 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 323 A C 2.332 180.031 177.584 0.192 0.000 1.181 323 A CA 2.481 54.639 52.037 0.201 0.000 0.627 323 A CB -1.914 17.133 19.000 0.077 0.000 0.818 323 A HN 0.191 nan 8.150 nan 0.000 0.445 324 T N -0.358 114.274 114.554 0.130 0.000 2.777 324 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 324 T C 2.013 176.846 174.700 0.221 0.000 1.040 324 T CA 1.845 64.024 62.100 0.132 0.000 1.141 324 T CB -0.484 68.423 68.868 0.065 0.000 0.868 324 T HN 0.572 nan 8.240 nan 0.000 0.444 325 T N 1.687 116.357 114.554 0.194 0.000 2.746 325 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 325 T C 1.579 176.383 174.700 0.172 0.000 1.039 325 T CA 0.886 63.080 62.100 0.158 0.000 1.142 325 T CB -0.577 68.308 68.868 0.029 0.000 0.866 325 T HN 0.242 nan 8.240 nan 0.000 0.444 326 F N 1.848 121.873 119.950 0.124 0.000 2.192 326 F HA -0.110 4.417 4.527 -0.000 0.000 0.301 326 F C 2.567 178.401 175.800 0.058 0.000 1.079 326 F CA 0.818 58.881 58.000 0.105 0.000 1.303 326 F CB -0.623 38.431 39.000 0.090 0.000 1.024 326 F HN 0.147 nan 8.300 nan 0.000 0.494 327 A N -1.228 121.716 122.820 0.207 0.000 2.019 327 A HA -0.204 4.115 4.320 -0.000 0.000 0.219 327 A C 1.832 179.343 177.584 -0.121 0.000 1.164 327 A CA 1.683 53.724 52.037 0.007 0.000 0.644 327 A CB -0.876 18.066 19.000 -0.096 0.000 0.805 327 A HN 0.503 nan 8.150 nan 0.000 0.449 328 H N -1.062 118.037 119.070 0.047 0.000 2.553 328 H HA 0.260 4.816 4.556 -0.000 0.000 0.265 328 H C -0.018 175.301 175.328 -0.015 0.000 0.964 328 H CA 0.025 56.077 56.048 0.006 0.000 1.156 328 H CB 0.024 29.775 29.762 -0.017 0.000 1.411 328 H HN 0.342 nan 8.280 nan 0.000 0.558 329 L N 1.489 122.763 121.223 0.085 0.000 2.326 329 L HA 0.100 4.440 4.340 -0.000 0.000 0.278 329 L C 0.803 177.694 176.870 0.035 0.000 1.092 329 L CA -0.071 54.784 54.840 0.026 0.000 0.810 329 L CB 1.074 43.126 42.059 -0.011 0.000 1.153 329 L HN 0.034 nan 8.230 nan 0.000 0.439 330 D N 1.803 122.203 120.400 0.000 0.000 2.407 330 D HA 0.327 4.967 4.640 -0.000 0.000 0.208 330 D C 0.218 176.530 176.300 0.020 0.000 1.083 330 D CA 0.366 54.371 54.000 0.008 0.000 0.844 330 D CB 1.450 42.244 40.800 -0.011 0.000 0.967 330 D HN 0.591 nan 8.370 nan 0.000 0.506 331 A N 0.436 123.263 122.820 0.011 0.000 2.597 331 A HA 0.538 4.858 4.320 -0.000 0.000 0.292 331 A C -0.877 176.742 177.584 0.058 0.000 1.057 331 A CA -0.685 51.380 52.037 0.046 0.000 0.674 331 A CB 1.338 20.371 19.000 0.055 0.000 1.278 331 A HN -0.036 nan 8.150 nan 0.000 0.416 332 T N -0.992 113.637 114.554 0.124 0.000 2.861 332 T HA 0.751 5.101 4.350 -0.000 0.000 0.287 332 T C -0.642 174.184 174.700 0.210 0.000 1.003 332 T CA -0.529 61.684 62.100 0.188 0.000 0.977 332 T CB 1.652 70.633 68.868 0.189 0.000 0.996 332 T HN 0.698 nan 8.240 nan 0.000 0.448 333 T N 2.720 117.431 114.554 0.262 0.000 2.809 333 T HA 0.491 4.841 4.350 -0.000 0.000 0.296 333 T C -0.268 174.592 174.700 0.268 0.000 1.015 333 T CA -0.552 61.704 62.100 0.261 0.000 0.954 333 T CB 0.822 69.879 68.868 0.314 0.000 0.950 333 T HN 0.647 nan 8.240 nan 0.000 0.450 334 V N 5.747 125.778 119.914 0.195 0.000 2.333 334 V HA 0.385 4.505 4.120 -0.000 0.000 0.274 334 V C 0.125 176.303 176.094 0.140 0.000 1.028 334 V CA -0.775 61.631 62.300 0.176 0.000 0.851 334 V CB 0.699 32.563 31.823 0.069 0.000 1.000 334 V HN 0.748 nan 8.190 nan 0.000 0.456 335 L N 3.975 125.294 121.223 0.160 0.000 2.312 335 L HA 0.609 4.949 4.340 -0.000 0.000 0.281 335 L C 0.364 177.288 176.870 0.090 0.000 1.070 335 L CA 0.259 55.170 54.840 0.119 0.000 0.805 335 L CB 1.672 43.813 42.059 0.137 0.000 1.174 335 L HN 0.679 nan 8.230 nan 0.000 0.434 336 S N 1.507 117.236 115.700 0.048 0.000 2.541 336 S HA 0.428 4.898 4.470 -0.000 0.000 0.280 336 S C 0.643 175.246 174.600 0.004 0.000 1.112 336 S CA -0.721 57.496 58.200 0.029 0.000 0.925 336 S CB 1.760 64.970 63.200 0.017 0.000 1.067 336 S HN 0.661 nan 8.310 nan 0.000 0.479 337 R N 2.000 122.509 120.500 0.015 0.000 2.092 337 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 337 R C 2.358 178.649 176.300 -0.015 0.000 1.119 337 R CA 1.522 57.627 56.100 0.008 0.000 0.970 337 R CB -0.484 29.831 30.300 0.025 0.000 0.864 337 R HN 0.691 nan 8.270 nan 0.000 0.440 338 A N 1.578 124.392 122.820 -0.010 0.000 1.908 338 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 338 A C 2.062 179.625 177.584 -0.034 0.000 1.181 338 A CA 1.268 53.298 52.037 -0.012 0.000 0.627 338 A CB -0.399 18.600 19.000 -0.001 0.000 0.818 338 A HN 0.100 nan 8.150 nan 0.000 0.445 339 I N -0.088 120.451 120.570 -0.052 0.000 2.286 339 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 339 I C 2.874 178.875 176.117 -0.193 0.000 1.115 339 I CA 1.475 62.721 61.300 -0.090 0.000 1.392 339 I CB -1.675 36.276 38.000 -0.081 0.000 1.065 339 I HN 0.365 nan 8.210 nan 0.000 0.418 340 A N 0.569 123.246 122.820 -0.238 0.000 1.930 340 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 340 A C 2.237 179.710 177.584 -0.185 0.000 1.175 340 A CA 1.234 53.022 52.037 -0.415 0.000 0.627 340 A CB -0.559 18.297 19.000 -0.241 0.000 0.815 340 A HN 0.445 nan 8.150 nan 0.000 0.443 341 E N -0.298 119.861 120.200 -0.069 0.000 2.204 341 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 341 E C 1.616 178.212 176.600 -0.006 0.000 0.989 341 E CA 0.670 57.065 56.400 -0.008 0.000 0.824 341 E CB -0.213 29.489 29.700 0.003 0.000 0.756 341 E HN 0.611 nan 8.360 nan 0.000 0.477 342 L N -0.530 120.676 121.223 -0.029 0.000 2.465 342 L HA 0.003 4.343 4.340 -0.000 0.000 0.224 342 L C 1.384 178.257 176.870 0.005 0.000 1.145 342 L CA 0.625 55.459 54.840 -0.011 0.000 0.834 342 L CB -0.018 42.037 42.059 -0.008 0.000 0.944 342 L HN 0.318 nan 8.230 nan 0.000 0.451 343 G N 0.527 109.330 108.800 0.004 0.000 2.131 343 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.223 343 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.223 343 G C 0.035 175.040 174.900 0.175 0.000 0.990 343 G CA -0.366 44.815 45.100 0.135 0.000 0.671 343 G HN 0.249 nan 8.290 nan 0.000 0.521 344 I N 0.634 121.145 120.570 -0.099 0.000 2.321 344 I HA 0.575 4.745 4.170 -0.000 0.000 0.291 344 I C -0.274 175.593 176.117 -0.417 0.000 0.998 344 I CA -0.997 60.244 61.300 -0.097 0.000 1.227 344 I CB 0.869 38.834 38.000 -0.059 0.000 1.368 344 I HN 0.071 nan 8.210 nan 0.000 0.466 345 Y N 6.966 127.203 120.300 -0.105 0.000 2.406 345 Y HA 0.405 4.955 4.550 -0.000 0.000 0.340 345 Y C -2.292 173.400 175.900 -0.346 0.000 0.975 345 Y CA -2.602 55.379 58.100 -0.198 0.000 1.056 345 Y CB 1.856 40.183 38.460 -0.222 0.000 1.210 345 Y HN 0.392 nan 8.280 nan 0.000 0.448 346 P HA 0.047 nan 4.420 nan 0.000 0.269 346 P C -0.305 176.965 177.300 -0.050 0.000 1.209 346 P CA -0.076 62.996 63.100 -0.047 0.000 0.776 346 P CB 0.987 32.741 31.700 0.091 0.000 0.876 347 A N 3.350 126.139 122.820 -0.051 0.000 2.916 347 A HA 0.237 4.557 4.320 -0.000 0.000 0.254 347 A C 0.410 177.982 177.584 -0.021 0.000 1.544 347 A CA -0.290 51.668 52.037 -0.131 0.000 1.224 347 A CB -1.107 17.785 19.000 -0.179 0.000 1.012 347 A HN 0.359 nan 8.150 nan 0.000 0.636 348 V N 1.197 121.117 119.914 0.010 0.000 2.530 348 V HA 0.072 4.192 4.120 -0.000 0.000 0.282 348 V C 0.422 176.529 176.094 0.021 0.000 1.048 348 V CA -0.659 61.667 62.300 0.044 0.000 0.997 348 V CB 1.348 33.212 31.823 0.068 0.000 0.987 348 V HN 0.599 nan 8.190 nan 0.000 0.477 349 D N 7.884 128.302 120.400 0.030 0.000 2.344 349 D HA 0.124 4.764 4.640 -0.000 0.000 0.253 349 D C -1.356 174.953 176.300 0.015 0.000 1.255 349 D CA -1.480 52.530 54.000 0.017 0.000 0.894 349 D CB 1.863 42.673 40.800 0.017 0.000 1.067 349 D HN 0.311 nan 8.370 nan 0.000 0.492 350 P HA -0.064 nan 4.420 nan 0.000 0.226 350 P C 1.372 178.667 177.300 -0.008 0.000 1.153 350 P CA 0.546 63.642 63.100 -0.007 0.000 0.777 350 P CB 0.499 32.188 31.700 -0.018 0.000 0.794 351 L N -1.192 120.030 121.223 -0.001 0.000 2.470 351 L HA 0.165 4.505 4.340 -0.000 0.000 0.219 351 L C 2.127 178.993 176.870 -0.006 0.000 1.071 351 L CA 0.601 55.438 54.840 -0.004 0.000 0.850 351 L CB -0.431 41.629 42.059 0.001 0.000 1.040 351 L HN -0.123 nan 8.230 nan 0.000 0.475 352 D N -0.203 120.194 120.400 -0.005 0.000 2.301 352 D HA 0.011 4.651 4.640 -0.000 0.000 0.206 352 D C 0.757 177.051 176.300 -0.010 0.000 0.979 352 D CA 0.290 54.279 54.000 -0.019 0.000 0.874 352 D CB 0.407 41.190 40.800 -0.029 0.000 0.968 352 D HN -0.003 nan 8.370 nan 0.000 0.510 353 S N -0.062 115.649 115.700 0.018 0.000 2.562 353 S HA 0.350 4.820 4.470 -0.000 0.000 0.281 353 S C 0.429 175.057 174.600 0.047 0.000 1.333 353 S CA -0.109 58.122 58.200 0.051 0.000 1.052 353 S CB 1.158 64.403 63.200 0.075 0.000 0.884 353 S HN 0.397 nan 8.310 nan 0.000 0.506 354 T N -0.878 113.718 114.554 0.071 0.000 2.896 354 T HA 0.757 5.107 4.350 -0.000 0.000 0.297 354 T C -0.736 174.018 174.700 0.089 0.000 1.108 354 T CA -0.846 61.294 62.100 0.067 0.000 1.004 354 T CB 1.882 70.786 68.868 0.060 0.000 1.159 354 T HN 0.429 nan 8.240 nan 0.000 0.499 355 S N -0.527 115.218 115.700 0.075 0.000 2.572 355 S HA 0.404 4.874 4.470 -0.000 0.000 0.274 355 S C 0.621 175.255 174.600 0.056 0.000 1.150 355 S CA -0.826 57.420 58.200 0.077 0.000 0.944 355 S CB 1.602 64.855 63.200 0.087 0.000 1.071 355 S HN 0.774 nan 8.310 nan 0.000 0.479 356 R N 2.281 122.810 120.500 0.048 0.000 2.189 356 R HA 0.055 4.395 4.340 -0.000 0.000 0.218 356 R C 1.674 177.985 176.300 0.019 0.000 1.074 356 R CA 1.648 57.768 56.100 0.034 0.000 0.991 356 R CB -0.415 29.903 30.300 0.029 0.000 0.883 356 R HN 0.826 nan 8.270 nan 0.000 0.457 357 I N -2.654 117.926 120.570 0.016 0.000 3.684 357 I HA 0.099 4.269 4.170 -0.000 0.000 0.304 357 I C 0.539 176.641 176.117 -0.025 0.000 1.278 357 I CA 0.052 61.348 61.300 -0.006 0.000 1.272 357 I CB 0.124 38.122 38.000 -0.003 0.000 1.029 357 I HN -0.096 nan 8.210 nan 0.000 0.458 358 M N 3.444 123.047 119.600 0.004 0.000 3.445 358 M HA 0.163 4.643 4.480 -0.000 0.000 0.224 358 M C -0.602 175.745 176.300 0.078 0.000 1.551 358 M CA 0.891 56.220 55.300 0.049 0.000 1.671 358 M CB -1.456 31.198 32.600 0.090 0.000 1.159 358 M HN 0.340 nan 8.290 nan 0.000 0.547 359 D N 2.224 122.589 120.400 -0.059 0.000 2.934 359 D HA 0.324 4.964 4.640 -0.000 0.000 0.230 359 D C -2.353 173.779 176.300 -0.280 0.000 1.204 359 D CA -1.517 52.338 54.000 -0.242 0.000 0.873 359 D CB 2.782 43.495 40.800 -0.145 0.000 1.645 359 D HN 0.016 nan 8.370 nan 0.000 0.502 360 P HA -0.089 nan 4.420 nan 0.000 0.217 360 P C 0.590 177.817 177.300 -0.121 0.000 1.148 360 P CA 1.317 64.256 63.100 -0.269 0.000 0.828 360 P CB 0.260 31.767 31.700 -0.321 0.000 0.783 361 N N -1.493 117.132 118.700 -0.124 0.000 2.396 361 N HA -0.000 4.740 4.740 -0.000 0.000 0.180 361 N C 1.501 176.984 175.510 -0.045 0.000 1.028 361 N CA 0.553 53.562 53.050 -0.069 0.000 0.893 361 N CB -0.202 38.245 38.487 -0.066 0.000 0.967 361 N HN 0.179 nan 8.380 nan 0.000 0.440 362 I N -0.550 119.988 120.570 -0.054 0.000 2.681 362 I HA -0.058 4.112 4.170 -0.000 0.000 0.247 362 I C 1.899 178.006 176.117 -0.017 0.000 1.091 362 I CA 0.445 61.724 61.300 -0.034 0.000 1.442 362 I CB -0.081 37.895 38.000 -0.041 0.000 1.219 362 I HN -0.000 nan 8.210 nan 0.000 0.451 363 V N -1.063 118.830 119.914 -0.034 0.000 3.235 363 V HA 0.529 4.649 4.120 -0.000 0.000 0.259 363 V C 0.888 177.041 176.094 0.099 0.000 1.133 363 V CA 0.287 62.580 62.300 -0.012 0.000 1.128 363 V CB -1.015 30.643 31.823 -0.274 0.000 0.757 363 V HN 0.537 nan 8.190 nan 0.000 0.469 364 G N -0.100 108.741 108.800 0.067 0.000 2.587 364 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.686 364 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.686 364 G C 0.230 175.201 174.900 0.118 0.000 1.236 364 G CA 0.164 45.320 45.100 0.092 0.000 0.820 364 G HN 0.642 nan 8.290 nan 0.000 0.645 365 S N -0.636 115.122 115.700 0.097 0.000 2.383 365 S HA -0.088 4.381 4.470 -0.000 0.000 0.227 365 S C 1.940 176.637 174.600 0.163 0.000 1.026 365 S CA 2.181 60.452 58.200 0.117 0.000 0.981 365 S CB -0.205 63.041 63.200 0.077 0.000 0.818 365 S HN 0.746 nan 8.310 nan 0.000 0.472 366 E N -0.514 119.770 120.200 0.140 0.000 2.072 366 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 366 E C 1.904 178.607 176.600 0.172 0.000 0.985 366 E CA 1.246 57.724 56.400 0.129 0.000 0.801 366 E CB -0.287 29.470 29.700 0.094 0.000 0.750 366 E HN 0.816 nan 8.360 nan 0.000 0.452 367 H N -1.561 117.567 119.070 0.096 0.000 2.321 367 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 367 H C 2.001 177.391 175.328 0.105 0.000 1.087 367 H CA 1.666 57.769 56.048 0.091 0.000 1.319 367 H CB -0.034 29.781 29.762 0.089 0.000 1.379 367 H HN 0.242 nan 8.280 nan 0.000 0.501 368 Y N 1.505 121.907 120.300 0.169 0.000 2.181 368 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 368 Y C 1.841 177.782 175.900 0.068 0.000 1.146 368 Y CA 1.913 60.053 58.100 0.068 0.000 1.164 368 Y CB -0.324 38.149 38.460 0.021 0.000 0.982 368 Y HN 0.312 nan 8.280 nan 0.000 0.515 369 D N -0.551 119.916 120.400 0.111 0.000 2.092 369 D HA -0.195 4.444 4.640 -0.000 0.000 0.193 369 D C 2.402 178.687 176.300 -0.025 0.000 0.994 369 D CA 1.921 55.931 54.000 0.016 0.000 0.828 369 D CB -0.571 40.279 40.800 0.083 0.000 0.963 369 D HN 0.271 nan 8.370 nan 0.000 0.450 370 V N 1.094 121.026 119.914 0.030 0.000 2.295 370 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 370 V C 2.450 178.529 176.094 -0.025 0.000 1.049 370 V CA 1.884 64.201 62.300 0.027 0.000 1.024 370 V CB -0.916 30.945 31.823 0.063 0.000 0.648 370 V HN 0.218 nan 8.190 nan 0.000 0.447 371 A N -0.205 122.600 122.820 -0.025 0.000 1.902 371 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 371 A C 2.334 179.828 177.584 -0.149 0.000 1.181 371 A CA 1.553 53.544 52.037 -0.075 0.000 0.623 371 A CB -0.466 18.537 19.000 0.005 0.000 0.818 371 A HN 0.388 nan 8.150 nan 0.000 0.443 372 R N -0.639 119.709 120.500 -0.253 0.000 2.148 372 R HA -0.067 4.273 4.340 -0.000 0.000 0.227 372 R C 2.246 178.459 176.300 -0.145 0.000 1.103 372 R CA 1.108 57.044 56.100 -0.273 0.000 0.983 372 R CB -1.066 28.944 30.300 -0.482 0.000 0.874 372 R HN 0.553 nan 8.270 nan 0.000 0.451 373 G N -0.119 108.620 108.800 -0.102 0.000 2.408 373 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.215 373 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.215 373 G C 1.484 176.366 174.900 -0.030 0.000 1.156 373 G CA 0.223 45.295 45.100 -0.046 0.000 0.793 373 G HN 0.137 nan 8.290 nan 0.000 0.535 374 V N 0.265 120.154 119.914 -0.041 0.000 2.453 374 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 374 V C 2.731 178.797 176.094 -0.046 0.000 1.048 374 V CA 2.067 64.345 62.300 -0.036 0.000 1.049 374 V CB -0.186 31.579 31.823 -0.096 0.000 0.672 374 V HN 0.423 nan 8.190 nan 0.000 0.457 375 Q N -0.033 119.727 119.800 -0.065 0.000 2.079 375 Q HA -0.230 4.110 4.340 -0.000 0.000 0.200 375 Q C 2.427 178.410 176.000 -0.028 0.000 0.974 375 Q CA 1.794 57.566 55.803 -0.052 0.000 0.840 375 Q CB -0.120 28.576 28.738 -0.070 0.000 0.898 375 Q HN 0.538 nan 8.270 nan 0.000 0.430 376 K N 0.381 120.763 120.400 -0.030 0.000 2.025 376 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 376 K C 2.017 178.622 176.600 0.009 0.000 1.049 376 K CA 1.265 57.545 56.287 -0.013 0.000 0.933 376 K CB -0.218 32.272 32.500 -0.018 0.000 0.714 376 K HN 0.323 nan 8.250 nan 0.000 0.438 377 I N 1.112 121.688 120.570 0.010 0.000 2.493 377 I HA -0.233 3.937 4.170 -0.000 0.000 0.254 377 I C 1.839 177.989 176.117 0.055 0.000 1.160 377 I CA 0.730 62.047 61.300 0.029 0.000 1.445 377 I CB 0.160 38.169 38.000 0.016 0.000 1.086 377 I HN 0.201 nan 8.210 nan 0.000 0.433 378 L N -0.172 121.074 121.223 0.039 0.000 2.109 378 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 378 L C 2.460 179.395 176.870 0.108 0.000 1.086 378 L CA 1.105 55.987 54.840 0.070 0.000 0.760 378 L CB -0.495 41.580 42.059 0.027 0.000 0.910 378 L HN 0.268 nan 8.230 nan 0.000 0.437 379 Q N -0.224 119.612 119.800 0.059 0.000 2.167 379 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 379 Q C 1.666 177.696 176.000 0.050 0.000 0.970 379 Q CA 1.282 57.112 55.803 0.045 0.000 0.855 379 Q CB 0.014 28.762 28.738 0.018 0.000 0.911 379 Q HN 0.478 nan 8.270 nan 0.000 0.438 380 D N -0.065 120.372 120.400 0.062 0.000 2.097 380 D HA -0.178 4.461 4.640 -0.000 0.000 0.197 380 D C 1.578 177.927 176.300 0.081 0.000 0.984 380 D CA 1.010 55.044 54.000 0.058 0.000 0.826 380 D CB -0.403 40.432 40.800 0.059 0.000 0.973 380 D HN 0.248 nan 8.370 nan 0.000 0.460 381 Y N 1.705 122.001 120.300 -0.006 0.000 2.315 381 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 381 Y C 2.195 178.091 175.900 -0.006 0.000 1.154 381 Y CA 1.480 59.577 58.100 -0.006 0.000 1.229 381 Y CB 0.084 38.541 38.460 -0.004 0.000 0.980 381 Y HN -0.155 nan 8.280 nan 0.000 0.540 382 K N -0.918 119.492 120.400 0.017 0.000 2.062 382 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 382 K C 2.192 178.738 176.600 -0.090 0.000 1.051 382 K CA 1.407 57.662 56.287 -0.053 0.000 0.941 382 K CB -0.122 32.387 32.500 0.015 0.000 0.719 382 K HN 0.206 nan 8.250 nan 0.000 0.440 383 S N 0.993 116.660 115.700 -0.054 0.000 2.436 383 S HA 0.014 4.484 4.470 -0.000 0.000 0.228 383 S C 1.707 176.263 174.600 -0.073 0.000 1.014 383 S CA 0.616 58.785 58.200 -0.052 0.000 0.950 383 S CB -0.007 63.178 63.200 -0.025 0.000 0.784 383 S HN 0.220 nan 8.310 nan 0.000 0.504 384 L N 1.012 122.178 121.223 -0.095 0.000 2.240 384 L HA 0.032 4.372 4.340 -0.000 0.000 0.211 384 L C 2.551 179.321 176.870 -0.166 0.000 1.106 384 L CA 0.903 55.680 54.840 -0.106 0.000 0.793 384 L CB -0.255 41.757 42.059 -0.078 0.000 0.927 384 L HN 0.301 nan 8.230 nan 0.000 0.446 385 Q N -0.240 119.403 119.800 -0.261 0.000 2.432 385 Q HA -0.127 4.213 4.340 -0.000 0.000 0.205 385 Q C 0.515 176.423 176.000 -0.154 0.000 0.945 385 Q CA 0.642 56.281 55.803 -0.274 0.000 0.924 385 Q CB 0.343 28.823 28.738 -0.431 0.000 1.016 385 Q HN 0.415 nan 8.270 nan 0.000 0.503 386 D N -0.478 119.852 120.400 -0.117 0.000 2.328 386 D HA 0.093 4.733 4.640 -0.000 0.000 0.221 386 D C 0.849 177.114 176.300 -0.059 0.000 1.072 386 D CA 0.380 54.335 54.000 -0.075 0.000 0.850 386 D CB 0.440 41.204 40.800 -0.060 0.000 0.922 386 D HN 0.320 nan 8.370 nan 0.000 0.516 387 I N -0.662 119.870 120.570 -0.064 0.000 3.883 387 I HA 0.072 4.242 4.170 -0.000 0.000 0.305 387 I C 1.806 177.896 176.117 -0.045 0.000 1.247 387 I CA 0.109 61.381 61.300 -0.047 0.000 1.350 387 I CB 0.516 38.491 38.000 -0.041 0.000 1.194 387 I HN -0.100 nan 8.210 nan 0.000 0.441 388 I N 1.440 121.975 120.570 -0.058 0.000 2.202 388 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 388 I C 2.817 178.910 176.117 -0.041 0.000 1.091 388 I CA 1.519 62.790 61.300 -0.049 0.000 1.368 388 I CB -0.406 37.557 38.000 -0.061 0.000 1.058 388 I HN 0.157 nan 8.210 nan 0.000 0.410 389 A N 0.747 123.539 122.820 -0.047 0.000 1.933 389 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 389 A C 2.174 179.741 177.584 -0.028 0.000 1.175 389 A CA 1.647 53.662 52.037 -0.037 0.000 0.628 389 A CB -0.616 18.359 19.000 -0.041 0.000 0.814 389 A HN 0.315 nan 8.150 nan 0.000 0.444 390 I N -0.860 119.692 120.570 -0.029 0.000 2.277 390 I HA -0.092 4.078 4.170 -0.000 0.000 0.243 390 I C 2.189 178.295 176.117 -0.019 0.000 1.094 390 I CA 1.093 62.379 61.300 -0.023 0.000 1.393 390 I CB -0.164 37.822 38.000 -0.023 0.000 1.078 390 I HN 0.262 nan 8.210 nan 0.000 0.417 391 L N -1.730 119.480 121.223 -0.021 0.000 2.864 391 L HA 0.562 4.902 4.340 -0.000 0.000 0.177 391 L C 0.851 177.711 176.870 -0.016 0.000 1.341 391 L CA 0.268 55.097 54.840 -0.017 0.000 0.892 391 L CB -0.643 41.406 42.059 -0.017 0.000 1.290 391 L HN 0.236 nan 8.230 nan 0.000 0.545 392 G N -1.746 107.043 108.800 -0.018 0.000 2.356 392 G HA2 0.187 4.147 3.960 -0.000 0.000 0.294 392 G HA3 0.187 4.147 3.960 -0.000 0.000 0.294 392 G C -0.363 174.527 174.900 -0.016 0.000 1.423 392 G CA -0.334 44.757 45.100 -0.016 0.000 0.806 392 G HN 0.039 nan 8.290 nan 0.000 0.527 393 M N -0.272 119.321 119.600 -0.013 0.000 2.175 393 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 393 M C 0.728 177.025 176.300 -0.005 0.000 1.063 393 M CA 1.389 56.684 55.300 -0.010 0.000 1.119 393 M CB 0.078 32.675 32.600 -0.003 0.000 1.377 393 M HN 0.421 nan 8.290 nan 0.000 0.415 394 D N 0.746 121.144 120.400 -0.004 0.000 2.434 394 D HA 0.021 4.661 4.640 -0.000 0.000 0.232 394 D C 0.694 176.992 176.300 -0.004 0.000 1.166 394 D CA 0.298 54.297 54.000 -0.002 0.000 0.830 394 D CB 0.105 40.905 40.800 -0.000 0.000 0.960 394 D HN 0.413 nan 8.370 nan 0.000 0.497 395 E N -0.115 120.081 120.200 -0.007 0.000 2.481 395 E HA 0.145 4.494 4.350 -0.000 0.000 0.198 395 E C 0.743 177.338 176.600 -0.008 0.000 1.027 395 E CA -0.036 56.359 56.400 -0.008 0.000 0.900 395 E CB 1.401 31.094 29.700 -0.011 0.000 0.993 395 E HN 0.320 nan 8.360 nan 0.000 0.482 396 L N 0.814 122.033 121.223 -0.007 0.000 2.358 396 L HA 0.235 4.575 4.340 -0.000 0.000 0.268 396 L C 1.116 177.986 176.870 -0.001 0.000 1.032 396 L CA -0.650 54.187 54.840 -0.005 0.000 0.805 396 L CB 1.379 43.434 42.059 -0.006 0.000 1.253 396 L HN -0.045 nan 8.230 nan 0.000 0.452 397 S N -0.717 114.984 115.700 0.001 0.000 2.562 397 S HA 0.041 4.511 4.470 -0.000 0.000 0.256 397 S C 0.835 175.439 174.600 0.006 0.000 1.248 397 S CA -0.028 58.174 58.200 0.003 0.000 0.988 397 S CB 0.554 63.756 63.200 0.003 0.000 1.035 397 S HN 0.752 nan 8.310 nan 0.000 0.548 398 E N -0.049 120.156 120.200 0.007 0.000 2.122 398 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 398 E C 1.659 178.266 176.600 0.012 0.000 0.977 398 E CA 0.624 57.030 56.400 0.009 0.000 0.820 398 E CB -0.100 29.605 29.700 0.008 0.000 0.770 398 E HN 0.710 nan 8.360 nan 0.000 0.462 399 E N 0.724 120.930 120.200 0.011 0.000 2.358 399 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 399 E C 1.277 177.887 176.600 0.017 0.000 1.010 399 E CA 0.672 57.080 56.400 0.013 0.000 0.856 399 E CB 0.128 29.834 29.700 0.011 0.000 0.795 399 E HN 0.234 nan 8.360 nan 0.000 0.504 400 D N 0.666 121.075 120.400 0.016 0.000 2.117 400 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 400 D C 1.446 177.764 176.300 0.030 0.000 0.982 400 D CA 0.961 54.973 54.000 0.020 0.000 0.828 400 D CB -0.014 40.792 40.800 0.011 0.000 0.967 400 D HN 0.143 nan 8.370 nan 0.000 0.464 401 K N 0.112 120.528 120.400 0.027 0.000 2.217 401 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 401 K C 2.008 178.631 176.600 0.038 0.000 1.051 401 K CA 0.129 56.437 56.287 0.034 0.000 0.952 401 K CB 0.016 32.532 32.500 0.026 0.000 0.736 401 K HN 0.052 nan 8.250 nan 0.000 0.453 402 L N 1.348 122.589 121.223 0.030 0.000 2.072 402 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 402 L C 2.292 179.178 176.870 0.027 0.000 1.079 402 L CA 1.915 56.771 54.840 0.025 0.000 0.752 402 L CB -0.710 41.361 42.059 0.019 0.000 0.906 402 L HN 0.216 nan 8.230 nan 0.000 0.436 403 T N -4.350 110.227 114.554 0.037 0.000 2.951 403 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 403 T C 1.842 176.590 174.700 0.080 0.000 1.073 403 T CA 1.214 63.342 62.100 0.046 0.000 1.134 403 T CB -0.883 68.016 68.868 0.051 0.000 0.884 403 T HN 0.142 nan 8.240 nan 0.000 0.479 404 V N 2.759 122.742 119.914 0.115 0.000 2.323 404 V HA -0.160 3.960 4.120 -0.000 0.000 0.244 404 V C 3.206 179.353 176.094 0.089 0.000 1.041 404 V CA 1.997 64.423 62.300 0.211 0.000 1.025 404 V CB -0.943 31.002 31.823 0.204 0.000 0.656 404 V HN 0.761 nan 8.190 nan 0.000 0.451 405 S N 0.687 116.414 115.700 0.045 0.000 2.370 405 S HA -0.268 4.202 4.470 -0.000 0.000 0.226 405 S C 2.061 176.624 174.600 -0.061 0.000 1.033 405 S CA 1.601 59.802 58.200 0.001 0.000 1.011 405 S CB -0.519 62.689 63.200 0.013 0.000 0.852 405 S HN 0.574 nan 8.310 nan 0.000 0.457 406 R N 1.388 121.852 120.500 -0.061 0.000 2.073 406 R HA 0.186 4.526 4.340 -0.000 0.000 0.229 406 R C 2.758 178.969 176.300 -0.147 0.000 1.120 406 R CA 1.149 57.184 56.100 -0.109 0.000 0.967 406 R CB -0.685 29.579 30.300 -0.061 0.000 0.862 406 R HN 0.573 nan 8.270 nan 0.000 0.436 407 A N 1.099 123.834 122.820 -0.140 0.000 2.015 407 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 407 A C 1.972 179.320 177.584 -0.393 0.000 1.163 407 A CA 0.915 52.811 52.037 -0.234 0.000 0.646 407 A CB -0.228 18.633 19.000 -0.231 0.000 0.806 407 A HN 0.189 nan 8.150 nan 0.000 0.448 408 R N -0.283 119.992 120.500 -0.375 0.000 2.115 408 R HA -0.048 4.291 4.340 -0.000 0.000 0.226 408 R C 1.820 178.013 176.300 -0.178 0.000 1.100 408 R CA 1.467 57.381 56.100 -0.310 0.000 0.980 408 R CB -0.179 30.021 30.300 -0.167 0.000 0.875 408 R HN 0.470 nan 8.270 nan 0.000 0.445 409 K N 0.191 120.463 120.400 -0.213 0.000 2.243 409 K HA 0.042 4.362 4.320 -0.000 0.000 0.201 409 K C 1.893 178.348 176.600 -0.243 0.000 1.051 409 K CA 0.643 56.743 56.287 -0.311 0.000 0.970 409 K CB 0.136 32.207 32.500 -0.715 0.000 0.755 409 K HN 0.092 nan 8.250 nan 0.000 0.465 410 I N 1.981 122.464 120.570 -0.146 0.000 2.252 410 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 410 I C 2.621 178.840 176.117 0.169 0.000 1.102 410 I CA 1.311 62.648 61.300 0.061 0.000 1.385 410 I CB -0.093 37.947 38.000 0.067 0.000 1.064 410 I HN 0.223 nan 8.210 nan 0.000 0.414 411 Q N 0.549 120.368 119.800 0.032 0.000 2.297 411 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 411 Q C 2.092 178.156 176.000 0.108 0.000 0.962 411 Q CA 1.001 56.833 55.803 0.048 0.000 0.879 411 Q CB -0.228 28.485 28.738 -0.043 0.000 0.947 411 Q HN 0.396 nan 8.270 nan 0.000 0.462 412 R N -0.659 119.921 120.500 0.133 0.000 2.127 412 R HA 0.035 4.375 4.340 -0.000 0.000 0.217 412 R C 1.382 177.834 176.300 0.253 0.000 1.074 412 R CA 0.911 57.156 56.100 0.242 0.000 0.991 412 R CB -0.055 30.418 30.300 0.287 0.000 0.895 412 R HN 0.209 nan 8.270 nan 0.000 0.450 413 F N 0.740 120.715 119.950 0.042 0.000 2.811 413 F HA 0.115 4.642 4.527 -0.000 0.000 0.301 413 F C 1.366 177.235 175.800 0.115 0.000 1.151 413 F CA 0.508 58.474 58.000 -0.056 0.000 1.412 413 F CB 0.185 38.963 39.000 -0.370 0.000 1.113 413 F HN -0.073 nan 8.300 nan 0.000 0.579 414 L N -0.703 120.665 121.223 0.241 0.000 2.209 414 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 414 L C 1.500 178.381 176.870 0.020 0.000 1.094 414 L CA 0.423 55.386 54.840 0.204 0.000 0.790 414 L CB -0.679 41.472 42.059 0.153 0.000 0.932 414 L HN 0.083 nan 8.230 nan 0.000 0.447 415 S N -0.164 115.526 115.700 -0.017 0.000 2.579 415 S HA 0.233 4.703 4.470 -0.000 0.000 0.275 415 S C -0.312 174.178 174.600 -0.183 0.000 1.345 415 S CA -0.425 57.709 58.200 -0.110 0.000 1.031 415 S CB 1.667 64.786 63.200 -0.135 0.000 0.892 415 S HN 0.285 nan 8.310 nan 0.000 0.529 416 Q N 0.879 120.538 119.800 -0.235 0.000 2.295 416 Q HA 0.409 4.749 4.340 -0.000 0.000 0.268 416 Q C -3.047 172.786 176.000 -0.278 0.000 1.010 416 Q CA -2.020 53.662 55.803 -0.202 0.000 0.856 416 Q CB 2.329 31.031 28.738 -0.060 0.000 1.349 416 Q HN 0.539 nan 8.270 nan 0.000 0.412 417 P HA 0.146 nan 4.420 nan 0.000 0.276 417 P C -1.028 176.355 177.300 0.139 0.000 1.235 417 P CA 0.303 63.349 63.100 -0.090 0.000 0.772 417 P CB 0.363 32.038 31.700 -0.041 0.000 0.871 418 F N 1.373 121.316 119.950 -0.012 0.000 2.397 418 F HA 0.207 4.734 4.527 -0.000 0.000 0.331 418 F C 2.182 177.985 175.800 0.004 0.000 1.090 418 F CA -0.853 57.146 58.000 -0.000 0.000 1.065 418 F CB 1.691 40.699 39.000 0.013 0.000 1.184 418 F HN 0.327 nan 8.300 nan 0.000 0.499 419 Q N 1.236 121.134 119.800 0.162 0.000 2.124 419 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 419 Q C 1.846 177.885 176.000 0.065 0.000 0.977 419 Q CA 1.273 57.117 55.803 0.068 0.000 0.850 419 Q CB 0.022 28.762 28.738 0.004 0.000 0.901 419 Q HN 0.533 nan 8.270 nan 0.000 0.429 420 V N 0.064 120.025 119.914 0.078 0.000 3.461 420 V HA -0.038 4.082 4.120 -0.000 0.000 0.267 420 V C 1.485 177.668 176.094 0.147 0.000 1.186 420 V CA 1.192 63.538 62.300 0.075 0.000 1.154 420 V CB -0.045 31.800 31.823 0.036 0.000 0.802 420 V HN 0.219 nan 8.190 nan 0.000 0.474 421 A N -0.822 122.113 122.820 0.191 0.000 2.423 421 A HA 0.201 4.521 4.320 -0.000 0.000 0.246 421 A C 1.768 179.446 177.584 0.158 0.000 1.278 421 A CA -0.087 52.076 52.037 0.209 0.000 0.903 421 A CB -0.165 18.936 19.000 0.167 0.000 0.997 421 A HN 0.500 nan 8.150 nan 0.000 0.510 422 E N -0.212 120.043 120.200 0.091 0.000 2.208 422 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 422 E C 1.517 178.098 176.600 -0.032 0.000 0.988 422 E CA 1.137 57.559 56.400 0.037 0.000 0.828 422 E CB -0.036 29.671 29.700 0.012 0.000 0.763 422 E HN 0.459 nan 8.360 nan 0.000 0.478 423 V N 0.310 120.151 119.914 -0.120 0.000 2.626 423 V HA -0.191 3.929 4.120 -0.000 0.000 0.252 423 V C 1.498 177.317 176.094 -0.457 0.000 1.067 423 V CA 1.544 63.631 62.300 -0.356 0.000 1.081 423 V CB -0.468 31.005 31.823 -0.584 0.000 0.686 423 V HN 0.178 nan 8.190 nan 0.000 0.468 424 F N 0.629 120.574 119.950 -0.009 0.000 2.390 424 F HA 0.000 4.527 4.527 -0.000 0.000 0.281 424 F C 2.758 178.554 175.800 -0.007 0.000 1.016 424 F CA 1.131 59.123 58.000 -0.013 0.000 1.286 424 F CB -0.984 38.003 39.000 -0.023 0.000 1.134 424 F HN 0.106 nan 8.300 nan 0.000 0.597 425 T N -2.430 112.242 114.554 0.197 0.000 2.951 425 T HA 0.201 4.551 4.350 -0.000 0.000 0.268 425 T C 1.819 176.600 174.700 0.136 0.000 1.073 425 T CA 0.966 63.149 62.100 0.139 0.000 1.134 425 T CB -0.510 68.421 68.868 0.105 0.000 0.884 425 T HN 0.575 nan 8.240 nan 0.000 0.479 426 G N 0.616 109.460 108.800 0.074 0.000 2.141 426 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.231 426 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.231 426 G C -0.178 174.646 174.900 -0.126 0.000 0.984 426 G CA 0.072 45.156 45.100 -0.026 0.000 0.660 426 G HN 0.792 nan 8.290 nan 0.000 0.525 427 H N -0.850 118.217 119.070 -0.005 0.000 2.529 427 H HA 0.679 5.235 4.556 -0.000 0.000 0.348 427 H C 0.646 175.970 175.328 -0.007 0.000 1.152 427 H CA -0.713 55.330 56.048 -0.010 0.000 1.202 427 H CB 1.236 30.988 29.762 -0.018 0.000 1.562 427 H HN 0.199 nan 8.280 nan 0.000 0.515 428 L N 1.897 123.178 121.223 0.097 0.000 2.380 428 L HA 0.310 4.650 4.340 -0.000 0.000 0.273 428 L C 1.209 178.121 176.870 0.070 0.000 1.138 428 L CA -0.253 54.621 54.840 0.056 0.000 0.832 428 L CB 0.599 42.674 42.059 0.026 0.000 1.124 428 L HN 0.691 nan 8.230 nan 0.000 0.454 429 G N 2.474 111.314 108.800 0.066 0.000 2.448 429 G HA2 0.496 4.456 3.960 -0.000 0.000 0.285 429 G HA3 0.496 4.456 3.960 -0.000 0.000 0.285 429 G C -0.674 174.265 174.900 0.064 0.000 1.176 429 G CA -0.570 44.584 45.100 0.090 0.000 0.852 429 G HN 0.394 nan 8.290 nan 0.000 0.530 430 K N 0.469 120.916 120.400 0.080 0.000 2.378 430 K HA 0.400 4.720 4.320 -0.000 0.000 0.252 430 K C -1.392 175.233 176.600 0.042 0.000 0.931 430 K CA -0.985 55.329 56.287 0.044 0.000 0.794 430 K CB 2.507 35.022 32.500 0.024 0.000 1.181 430 K HN 0.335 nan 8.250 nan 0.000 0.425 431 L N 2.787 124.014 121.223 0.007 0.000 2.276 431 L HA 0.376 4.716 4.340 -0.000 0.000 0.286 431 L C -1.208 175.654 176.870 -0.013 0.000 1.024 431 L CA -0.607 54.224 54.840 -0.015 0.000 0.826 431 L CB 1.417 43.450 42.059 -0.044 0.000 1.211 431 L HN 0.308 nan 8.230 nan 0.000 0.422 432 V N 7.376 127.284 119.914 -0.010 0.000 2.370 432 V HA 0.497 4.617 4.120 -0.000 0.000 0.283 432 V C -1.954 174.140 176.094 -0.001 0.000 1.023 432 V CA -1.536 60.762 62.300 -0.004 0.000 0.857 432 V CB 1.142 32.956 31.823 -0.014 0.000 0.985 432 V HN 0.709 nan 8.190 nan 0.000 0.443 433 P HA 0.074 nan 4.420 nan 0.000 0.270 433 P C 0.753 178.066 177.300 0.021 0.000 1.223 433 P CA -0.348 62.759 63.100 0.011 0.000 0.785 433 P CB 0.715 32.425 31.700 0.015 0.000 0.923 434 L N 2.830 124.065 121.223 0.020 0.000 2.042 434 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 434 L C 1.904 178.772 176.870 -0.003 0.000 1.076 434 L CA 2.002 56.845 54.840 0.005 0.000 0.749 434 L CB -0.895 41.176 42.059 0.019 0.000 0.893 434 L HN 0.266 nan 8.230 nan 0.000 0.432 435 K N -0.761 119.650 120.400 0.018 0.000 2.147 435 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 435 K C 1.855 178.486 176.600 0.052 0.000 1.049 435 K CA 1.285 57.588 56.287 0.027 0.000 0.936 435 K CB -0.017 32.503 32.500 0.033 0.000 0.722 435 K HN 0.387 nan 8.250 nan 0.000 0.446 436 E N -0.159 120.079 120.200 0.064 0.000 2.230 436 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 436 E C 1.934 178.629 176.600 0.157 0.000 0.987 436 E CA 0.901 57.359 56.400 0.097 0.000 0.841 436 E CB -0.119 29.631 29.700 0.082 0.000 0.783 436 E HN 0.240 nan 8.360 nan 0.000 0.481 437 T N 1.910 116.551 114.554 0.144 0.000 2.737 437 T HA -0.067 4.283 4.350 -0.000 0.000 0.265 437 T C 2.170 177.087 174.700 0.361 0.000 1.038 437 T CA 0.870 63.121 62.100 0.251 0.000 1.144 437 T CB -0.179 68.776 68.868 0.146 0.000 0.866 437 T HN 0.070 nan 8.240 nan 0.000 0.434 438 I N 0.751 121.411 120.570 0.151 0.000 2.090 438 I HA -0.184 3.986 4.170 -0.000 0.000 0.236 438 I C 2.596 178.822 176.117 0.180 0.000 1.064 438 I CA 1.472 62.836 61.300 0.107 0.000 1.324 438 I CB -0.275 37.704 38.000 -0.036 0.000 1.044 438 I HN 0.127 nan 8.210 nan 0.000 0.399 439 K N 0.645 121.127 120.400 0.136 0.000 2.280 439 K HA -0.097 4.223 4.320 -0.000 0.000 0.202 439 K C 2.072 178.756 176.600 0.140 0.000 1.047 439 K CA 1.160 57.520 56.287 0.121 0.000 0.942 439 K CB -0.338 32.215 32.500 0.090 0.000 0.739 439 K HN 0.494 nan 8.250 nan 0.000 0.457 440 G N 0.581 109.488 108.800 0.178 0.000 2.404 440 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 440 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 440 G C 1.235 176.126 174.900 -0.014 0.000 1.174 440 G CA 0.370 45.520 45.100 0.084 0.000 0.780 440 G HN 0.145 nan 8.290 nan 0.000 0.537 441 F N 0.599 120.675 119.950 0.211 0.000 2.234 441 F HA 0.023 4.550 4.527 -0.000 0.000 0.299 441 F C 2.896 178.735 175.800 0.065 0.000 1.087 441 F CA 1.434 59.523 58.000 0.148 0.000 1.340 441 F CB -0.041 39.052 39.000 0.155 0.000 1.031 441 F HN 0.155 nan 8.300 nan 0.000 0.500 442 Q N 0.161 120.098 119.800 0.229 0.000 2.167 442 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 442 Q C 1.996 178.049 176.000 0.088 0.000 0.970 442 Q CA 1.348 57.232 55.803 0.134 0.000 0.855 442 Q CB -0.058 28.744 28.738 0.107 0.000 0.911 442 Q HN 0.491 nan 8.270 nan 0.000 0.438 443 Q N -0.351 119.505 119.800 0.093 0.000 2.297 443 Q HA -0.102 4.238 4.340 -0.000 0.000 0.204 443 Q C 1.867 177.915 176.000 0.081 0.000 0.962 443 Q CA 0.641 56.489 55.803 0.074 0.000 0.879 443 Q CB 0.237 29.079 28.738 0.173 0.000 0.947 443 Q HN 0.441 nan 8.270 nan 0.000 0.462 444 I N 0.106 120.717 120.570 0.068 0.000 2.333 444 I HA -0.193 3.977 4.170 -0.000 0.000 0.246 444 I C 2.065 178.176 176.117 -0.010 0.000 1.106 444 I CA 1.204 62.496 61.300 -0.014 0.000 1.411 444 I CB -1.052 36.849 38.000 -0.165 0.000 1.082 444 I HN 0.232 nan 8.210 nan 0.000 0.420 445 L N 1.042 122.280 121.223 0.025 0.000 2.201 445 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 445 L C 2.665 179.542 176.870 0.010 0.000 1.105 445 L CA 1.069 55.922 54.840 0.022 0.000 0.775 445 L CB -0.613 41.471 42.059 0.042 0.000 0.913 445 L HN 0.174 nan 8.230 nan 0.000 0.440 446 A N -0.511 122.314 122.820 0.007 0.000 2.119 446 A HA 0.224 4.544 4.320 -0.000 0.000 0.216 446 A C 1.878 179.449 177.584 -0.021 0.000 1.152 446 A CA 0.979 53.012 52.037 -0.008 0.000 0.708 446 A CB -0.397 18.594 19.000 -0.015 0.000 0.805 446 A HN 0.512 nan 8.150 nan 0.000 0.460 447 G N -0.977 107.810 108.800 -0.021 0.000 2.159 447 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.227 447 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.227 447 G C 0.414 175.296 174.900 -0.030 0.000 0.986 447 G CA 0.500 45.591 45.100 -0.014 0.000 0.651 447 G HN 0.539 nan 8.290 nan 0.000 0.523 448 E N -0.876 119.251 120.200 -0.121 0.000 2.515 448 E HA 0.091 4.441 4.350 -0.000 0.000 0.201 448 E C 0.552 176.914 176.600 -0.395 0.000 1.071 448 E CA 0.549 56.778 56.400 -0.285 0.000 0.880 448 E CB -0.077 29.352 29.700 -0.452 0.000 0.828 448 E HN 0.779 nan 8.360 nan 0.000 0.540 449 Y N -1.099 119.259 120.300 0.096 0.000 2.721 449 Y HA 0.125 4.675 4.550 -0.000 0.000 0.251 449 Y C 0.717 176.620 175.900 0.005 0.000 1.136 449 Y CA -0.634 57.495 58.100 0.048 0.000 1.142 449 Y CB 0.799 39.370 38.460 0.186 0.000 1.212 449 Y HN -0.070 nan 8.280 nan 0.000 0.565 450 D N -0.090 120.411 120.400 0.168 0.000 2.312 450 D HA -0.124 4.516 4.640 -0.000 0.000 0.211 450 D C 1.894 178.275 176.300 0.135 0.000 0.964 450 D CA 1.174 55.245 54.000 0.118 0.000 0.877 450 D CB -0.001 40.854 40.800 0.092 0.000 0.924 450 D HN 0.621 nan 8.370 nan 0.000 0.515 451 H N -0.721 118.408 119.070 0.098 0.000 2.539 451 H HA 0.172 4.728 4.556 -0.000 0.000 0.267 451 H C 0.532 175.919 175.328 0.098 0.000 0.982 451 H CA -0.051 56.044 56.048 0.078 0.000 1.146 451 H CB 0.032 29.825 29.762 0.052 0.000 1.382 451 H HN 0.079 nan 8.280 nan 0.000 0.577 452 L N 2.968 124.065 121.223 -0.210 0.000 2.334 452 L HA 0.383 4.723 4.340 -0.000 0.000 0.275 452 L C -2.022 174.874 176.870 0.043 0.000 1.036 452 L CA -2.224 52.538 54.840 -0.129 0.000 0.807 452 L CB 1.794 43.728 42.059 -0.209 0.000 1.231 452 L HN 0.032 nan 8.230 nan 0.000 0.438 453 P HA 0.107 nan 4.420 nan 0.000 0.274 453 P C -0.153 177.223 177.300 0.128 0.000 1.237 453 P CA -0.313 62.816 63.100 0.048 0.000 0.793 453 P CB 0.984 32.687 31.700 0.004 0.000 0.977 454 E N 0.303 120.586 120.200 0.138 0.000 2.110 454 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 454 E C 1.764 178.489 176.600 0.208 0.000 0.988 454 E CA 1.012 57.539 56.400 0.212 0.000 0.804 454 E CB -0.090 29.660 29.700 0.083 0.000 0.745 454 E HN 0.440 nan 8.360 nan 0.000 0.458 455 Q N -0.076 119.773 119.800 0.082 0.000 2.437 455 Q HA -0.044 4.296 4.340 -0.000 0.000 0.210 455 Q C 1.877 177.910 176.000 0.055 0.000 0.972 455 Q CA 0.958 56.800 55.803 0.065 0.000 0.903 455 Q CB -0.144 28.599 28.738 0.009 0.000 0.967 455 Q HN 0.258 nan 8.270 nan 0.000 0.486 456 A N -0.348 122.433 122.820 -0.066 0.000 2.014 456 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 456 A C 1.502 178.887 177.584 -0.331 0.000 1.163 456 A CA 0.532 52.411 52.037 -0.263 0.000 0.652 456 A CB -0.439 18.271 19.000 -0.483 0.000 0.808 456 A HN 0.270 nan 8.150 nan 0.000 0.449 457 F N -2.397 117.539 119.950 -0.022 0.000 2.743 457 F HA 0.166 4.693 4.527 -0.000 0.000 0.297 457 F C 0.764 176.649 175.800 0.140 0.000 1.131 457 F CA -0.091 57.916 58.000 0.011 0.000 1.426 457 F CB -0.132 38.836 39.000 -0.054 0.000 1.116 457 F HN 0.280 nan 8.300 nan 0.000 0.583 458 Y N 1.521 121.898 120.300 0.127 0.000 2.359 458 Y HA 0.298 4.848 4.550 -0.000 0.000 0.334 458 Y C 0.620 176.527 175.900 0.013 0.000 1.058 458 Y CA -1.585 56.557 58.100 0.069 0.000 1.244 458 Y CB 0.295 38.776 38.460 0.036 0.000 1.187 458 Y HN 0.033 nan 8.280 nan 0.000 0.510 459 M N 5.863 125.134 119.600 -0.549 0.000 2.253 459 M HA -0.165 4.315 4.480 -0.000 0.000 0.195 459 M C -1.191 174.975 176.300 -0.223 0.000 0.512 459 M CA 0.968 55.968 55.300 -0.500 0.000 0.442 459 M CB -2.725 29.444 32.600 -0.718 0.000 1.189 459 M HN 0.426 nan 8.290 nan 0.000 0.923 460 V N -3.396 116.449 119.914 -0.116 0.000 3.155 460 V HA 1.081 5.201 4.120 -0.000 0.000 0.313 460 V C 0.788 176.852 176.094 -0.050 0.000 1.162 460 V CA -0.199 62.077 62.300 -0.041 0.000 1.048 460 V CB 1.515 33.351 31.823 0.023 0.000 1.092 460 V HN 0.394 nan 8.190 nan 0.000 0.447 461 G N 0.041 108.836 108.800 -0.008 0.000 3.199 461 G HA2 0.491 4.451 3.960 -0.000 0.000 0.184 461 G HA3 0.491 4.451 3.960 -0.000 0.000 0.184 461 G C -2.452 172.465 174.900 0.029 0.000 1.974 461 G CA -0.464 44.624 45.100 -0.020 0.000 0.885 461 G HN 0.685 nan 8.290 nan 0.000 0.575 462 P HA 0.216 nan 4.420 nan 0.000 0.274 462 P C 0.617 178.045 177.300 0.214 0.000 1.246 462 P CA -0.611 62.585 63.100 0.159 0.000 0.795 462 P CB 1.021 32.770 31.700 0.081 0.000 1.006 463 I N 0.863 121.546 120.570 0.188 0.000 2.700 463 I HA -0.217 3.953 4.170 -0.000 0.000 0.261 463 I C 1.578 177.616 176.117 -0.132 0.000 1.219 463 I CA 1.486 62.723 61.300 -0.105 0.000 1.463 463 I CB -0.688 37.189 38.000 -0.206 0.000 1.092 463 I HN 0.365 nan 8.210 nan 0.000 0.452 464 E N -0.222 119.959 120.200 -0.031 0.000 2.204 464 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 464 E C 1.845 178.408 176.600 -0.062 0.000 0.989 464 E CA 1.131 57.510 56.400 -0.035 0.000 0.824 464 E CB -0.199 29.501 29.700 0.000 0.000 0.756 464 E HN 0.602 nan 8.360 nan 0.000 0.477 465 E N 0.614 120.783 120.200 -0.051 0.000 2.216 465 E HA -0.030 4.320 4.350 -0.000 0.000 0.192 465 E C 2.037 178.549 176.600 -0.146 0.000 0.988 465 E CA 0.580 56.943 56.400 -0.063 0.000 0.834 465 E CB 0.038 29.729 29.700 -0.015 0.000 0.772 465 E HN 0.252 nan 8.360 nan 0.000 0.479 466 A N 0.772 123.450 122.820 -0.236 0.000 1.969 466 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 466 A C 2.351 179.584 177.584 -0.585 0.000 1.169 466 A CA 0.826 52.556 52.037 -0.511 0.000 0.635 466 A CB -0.231 18.320 19.000 -0.748 0.000 0.810 466 A HN 0.091 nan 8.150 nan 0.000 0.445 467 V N -0.505 119.173 119.914 -0.394 0.000 2.346 467 V HA -0.110 4.010 4.120 -0.000 0.000 0.244 467 V C 2.955 178.950 176.094 -0.165 0.000 1.037 467 V CA 1.686 63.834 62.300 -0.254 0.000 1.029 467 V CB -1.091 30.673 31.823 -0.098 0.000 0.663 467 V HN 0.547 nan 8.190 nan 0.000 0.454 468 A N -0.320 122.423 122.820 -0.129 0.000 1.968 468 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 468 A C 2.312 179.845 177.584 -0.085 0.000 1.169 468 A CA 1.734 53.722 52.037 -0.081 0.000 0.638 468 A CB -0.404 18.564 19.000 -0.054 0.000 0.812 468 A HN 0.475 nan 8.150 nan 0.000 0.446 469 K N -0.147 120.183 120.400 -0.117 0.000 2.148 469 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 469 K C 2.065 178.606 176.600 -0.100 0.000 1.050 469 K CA 1.028 57.257 56.287 -0.097 0.000 0.942 469 K CB -0.260 32.174 32.500 -0.109 0.000 0.724 469 K HN 0.382 nan 8.250 nan 0.000 0.446 470 A N 1.399 124.131 122.820 -0.146 0.000 1.972 470 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 470 A C 1.495 179.039 177.584 -0.067 0.000 1.169 470 A CA 1.852 53.815 52.037 -0.123 0.000 0.635 470 A CB -0.357 18.541 19.000 -0.171 0.000 0.810 470 A HN 0.331 nan 8.150 nan 0.000 0.446 471 D N -0.103 120.263 120.400 -0.057 0.000 2.144 471 D HA -0.083 4.557 4.640 -0.000 0.000 0.200 471 D C 1.903 178.189 176.300 -0.022 0.000 0.978 471 D CA 1.286 55.268 54.000 -0.030 0.000 0.833 471 D CB -0.215 40.571 40.800 -0.024 0.000 0.961 471 D HN 0.517 nan 8.370 nan 0.000 0.470 472 K N -0.013 120.371 120.400 -0.026 0.000 2.103 472 K HA 0.029 4.349 4.320 -0.000 0.000 0.204 472 K C 0.844 177.437 176.600 -0.010 0.000 1.052 472 K CA 0.278 56.556 56.287 -0.015 0.000 0.945 472 K CB 0.033 32.526 32.500 -0.012 0.000 0.722 472 K HN 0.091 nan 8.250 nan 0.000 0.443 473 L N 1.058 122.271 121.223 -0.016 0.000 2.439 473 L HA 0.129 4.469 4.340 -0.000 0.000 0.269 473 L C 0.506 177.371 176.870 -0.007 0.000 1.179 473 L CA -0.200 54.635 54.840 -0.010 0.000 0.828 473 L CB 0.298 42.347 42.059 -0.016 0.000 1.106 473 L HN 0.314 nan 8.230 nan 0.000 0.467 474 A N 0.000 122.819 122.820 -0.002 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 474 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486