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 3fks_1_T DATA FIRST_RESID 25 DATA SEQUENCE ANLNETGRVL AVGDGIARVF GLNNIQAEEL VEFSSGVKGM ALNLEPGQVG DATA SEQUENCE IVLFGSDRLV KEGELVKRTG NIVDVPVGPG LLGRVVDALG NPIDGKGPID DATA SEQUENCE AAGRSRAQVK APGILPRRSV HEPVQTGLKA VDALVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTAVALDT ILNQKRWNNG SDESKKLYCV YVAVGQKRST VAQLVQTLEQ DATA SEQUENCE HDAMKYSIIV AATASEAAPL QYLAPFTAAS IGEWFRDNGX HALIVYDDLS DATA SEQUENCE KQAVAYRQLS LLLRRPPGRE AYPGDVFYLH SRLLERAAXL SEKEGSXSLT DATA SEQUENCE ALPVIETQGG DVSAYIPTNV ISITDGQIFL EAELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQVKA LKQVAGSLKL FLAQYREVAX XXXXXXXLDA STKQTLVRGE DATA SEQUENCE RLTQLLKQNQ YSPLATEEQV PLIYAGVXGH LDGIELSRIG EFESSFLSYL DATA SEQUENCE KSNHNELLTE IREKGELSKE LLASLKSATE SFVAT 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.586 177.584 0.003 0.000 1.274 25 A CA 0.000 52.042 52.037 0.008 0.000 0.836 25 A CB 0.000 19.006 19.000 0.009 0.000 0.831 26 N N 1.055 119.752 118.700 -0.006 0.000 2.420 26 N HA 0.259 4.999 4.740 -0.000 0.000 0.262 26 N C 0.417 175.913 175.510 -0.023 0.000 1.144 26 N CA -0.370 52.672 53.050 -0.014 0.000 0.952 26 N CB 0.912 39.388 38.487 -0.018 0.000 1.081 26 N HN 0.696 nan 8.380 nan 0.000 0.480 27 L N 1.651 122.857 121.223 -0.027 0.000 2.201 27 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 27 L C 1.001 177.822 176.870 -0.081 0.000 1.105 27 L CA 1.124 55.933 54.840 -0.052 0.000 0.775 27 L CB -0.097 41.930 42.059 -0.053 0.000 0.913 27 L HN 0.445 nan 8.230 nan 0.000 0.440 28 N N -0.464 118.198 118.700 -0.063 0.000 2.171 28 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 28 N C 1.704 177.177 175.510 -0.062 0.000 1.021 28 N CA 1.004 54.015 53.050 -0.066 0.000 0.854 28 N CB -0.035 38.423 38.487 -0.048 0.000 0.994 28 N HN 0.253 nan 8.380 nan 0.000 0.426 29 E N -0.247 119.923 120.200 -0.051 0.000 2.140 29 E HA 0.042 4.392 4.350 -0.000 0.000 0.191 29 E C 0.675 177.240 176.600 -0.058 0.000 0.973 29 E CA 0.641 57.012 56.400 -0.049 0.000 0.829 29 E CB 0.030 29.708 29.700 -0.038 0.000 0.781 29 E HN 0.476 nan 8.360 nan 0.000 0.466 30 T N -2.227 112.294 114.554 -0.055 0.000 2.927 30 T HA 0.771 5.121 4.350 -0.000 0.000 0.286 30 T C 0.283 174.948 174.700 -0.057 0.000 1.040 30 T CA -0.558 61.508 62.100 -0.057 0.000 1.010 30 T CB 2.374 71.220 68.868 -0.037 0.000 1.177 30 T HN 0.060 nan 8.240 nan 0.000 0.546 31 G N 0.050 108.822 108.800 -0.047 0.000 2.632 31 G HA2 0.567 4.527 3.960 -0.000 0.000 0.292 31 G HA3 0.567 4.527 3.960 -0.000 0.000 0.292 31 G C -1.482 173.433 174.900 0.025 0.000 1.465 31 G CA -1.058 44.031 45.100 -0.018 0.000 0.824 31 G HN 0.667 nan 8.290 nan 0.000 0.509 32 R N -0.167 120.389 120.500 0.093 0.000 2.536 32 R HA 0.579 4.919 4.340 -0.000 0.000 0.279 32 R C -0.351 176.026 176.300 0.130 0.000 1.001 32 R CA -0.751 55.413 56.100 0.107 0.000 1.027 32 R CB 1.956 32.327 30.300 0.119 0.000 1.096 32 R HN 0.299 nan 8.270 nan 0.000 0.502 33 V N 3.746 123.735 119.914 0.125 0.000 2.432 33 V HA 0.087 4.207 4.120 -0.000 0.000 0.271 33 V C 1.626 177.782 176.094 0.103 0.000 1.046 33 V CA 0.011 62.395 62.300 0.140 0.000 0.945 33 V CB 1.070 32.994 31.823 0.169 0.000 0.992 33 V HN 0.677 nan 8.190 nan 0.000 0.471 34 L N 4.397 125.682 121.223 0.104 0.000 2.145 34 L HA 0.473 4.813 4.340 -0.000 0.000 0.201 34 L C 0.913 177.808 176.870 0.041 0.000 1.075 34 L CA 1.095 55.974 54.840 0.064 0.000 0.773 34 L CB 0.304 42.407 42.059 0.074 0.000 0.936 34 L HN 0.761 nan 8.230 nan 0.000 0.451 35 A N -0.906 121.944 122.820 0.049 0.000 2.517 35 A HA 0.572 4.892 4.320 -0.000 0.000 0.297 35 A C -1.739 175.862 177.584 0.027 0.000 1.050 35 A CA -0.341 51.712 52.037 0.028 0.000 0.694 35 A CB 1.783 20.794 19.000 0.017 0.000 1.277 35 A HN -0.115 nan 8.150 nan 0.000 0.400 36 V N 1.568 121.488 119.914 0.009 0.000 2.623 36 V HA 0.937 5.057 4.120 -0.000 0.000 0.304 36 V C -0.150 175.929 176.094 -0.026 0.000 1.054 36 V CA 0.841 63.136 62.300 -0.010 0.000 0.882 36 V CB 1.557 33.367 31.823 -0.022 0.000 1.002 36 V HN 2.240 nan 8.190 nan 0.000 0.424 37 G N 3.693 112.472 108.800 -0.035 0.000 2.442 37 G HA2 0.524 4.484 3.960 -0.000 0.000 0.296 37 G HA3 0.524 4.484 3.960 -0.000 0.000 0.296 37 G C -0.768 174.103 174.900 -0.049 0.000 1.564 37 G CA 0.156 45.231 45.100 -0.041 0.000 0.828 37 G HN 0.851 nan 8.290 nan 0.000 0.571 38 D N -0.781 119.586 120.400 -0.054 0.000 3.090 38 D HA -0.162 4.478 4.640 -0.000 0.000 0.215 38 D C 1.679 177.931 176.300 -0.080 0.000 1.140 38 D CA 3.016 56.978 54.000 -0.064 0.000 0.937 38 D CB -1.268 39.495 40.800 -0.062 0.000 1.108 38 D HN 2.267 nan 8.370 nan 0.000 0.420 39 G N -0.712 108.038 108.800 -0.083 0.000 2.176 39 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 39 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.253 39 G C 0.242 175.078 174.900 -0.106 0.000 0.979 39 G CA 0.573 45.612 45.100 -0.102 0.000 0.641 39 G HN 0.757 nan 8.290 nan 0.000 0.530 40 I N -1.660 118.861 120.570 -0.082 0.000 2.603 40 I HA 0.944 5.114 4.170 -0.000 0.000 0.300 40 I C 0.011 176.112 176.117 -0.025 0.000 1.017 40 I CA -1.458 59.807 61.300 -0.057 0.000 1.098 40 I CB 2.169 40.133 38.000 -0.059 0.000 1.279 40 I HN 0.751 nan 8.210 nan 0.000 0.437 41 A N 4.676 127.509 122.820 0.021 0.000 2.343 41 A HA 0.821 5.141 4.320 -0.000 0.000 0.316 41 A C -0.426 177.216 177.584 0.097 0.000 1.104 41 A CA -0.851 51.225 52.037 0.065 0.000 0.768 41 A CB 0.895 19.963 19.000 0.113 0.000 1.213 41 A HN 0.751 nan 8.150 nan 0.000 0.456 42 R N 1.102 121.651 120.500 0.082 0.000 2.221 42 R HA 0.538 4.878 4.340 -0.000 0.000 0.327 42 R C -1.150 175.221 176.300 0.118 0.000 1.033 42 R CA -0.288 55.864 56.100 0.087 0.000 0.887 42 R CB 1.531 31.871 30.300 0.066 0.000 1.057 42 R HN 0.392 nan 8.270 nan 0.000 0.455 43 V N 4.831 124.816 119.914 0.118 0.000 2.483 43 V HA 0.239 4.359 4.120 -0.000 0.000 0.297 43 V C -0.800 175.374 176.094 0.133 0.000 1.027 43 V CA -0.807 61.567 62.300 0.124 0.000 0.855 43 V CB 1.347 33.218 31.823 0.079 0.000 0.995 43 V HN 0.572 nan 8.190 nan 0.000 0.424 44 F N 4.976 124.936 119.950 0.017 0.000 2.445 44 F HA 0.721 5.248 4.527 -0.000 0.000 0.359 44 F C 0.807 176.607 175.800 -0.000 0.000 1.101 44 F CA 1.391 59.396 58.000 0.008 0.000 1.177 44 F CB 0.573 39.578 39.000 0.009 0.000 1.110 44 F HN 0.836 nan 8.300 nan 0.000 0.522 45 G N 4.176 112.648 108.800 -0.548 0.000 2.297 45 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.209 45 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.209 45 G C -0.386 174.375 174.900 -0.233 0.000 1.267 45 G CA -0.622 44.243 45.100 -0.391 0.000 1.127 45 G HN 1.126 nan 8.290 nan 0.000 0.498 46 L N -0.239 120.892 121.223 -0.153 0.000 3.746 46 L HA -0.203 4.137 4.340 -0.000 0.000 0.542 46 L C 1.293 178.097 176.870 -0.110 0.000 1.268 46 L CA 0.357 55.130 54.840 -0.112 0.000 0.818 46 L CB -1.218 40.784 42.059 -0.095 0.000 1.472 46 L HN 0.624 nan 8.230 nan 0.000 0.843 47 N N 0.222 118.854 118.700 -0.113 0.000 2.270 47 N HA -0.056 4.684 4.740 -0.000 0.000 0.181 47 N C 1.197 176.668 175.510 -0.064 0.000 1.016 47 N CA 1.214 54.206 53.050 -0.097 0.000 0.870 47 N CB -0.066 38.363 38.487 -0.096 0.000 0.979 47 N HN 0.530 nan 8.380 nan 0.000 0.431 48 N N 0.519 119.186 118.700 -0.056 0.000 2.276 48 N HA 0.067 4.807 4.740 -0.000 0.000 0.212 48 N C -0.097 175.391 175.510 -0.035 0.000 1.127 48 N CA -0.227 52.799 53.050 -0.040 0.000 0.834 48 N CB 0.328 38.794 38.487 -0.035 0.000 1.014 48 N HN 0.211 nan 8.380 nan 0.000 0.491 49 I N 1.507 122.052 120.570 -0.041 0.000 2.588 49 I HA -0.030 4.139 4.170 -0.000 0.000 0.283 49 I C 0.605 176.710 176.117 -0.020 0.000 1.119 49 I CA -0.130 61.150 61.300 -0.033 0.000 1.419 49 I CB 0.557 38.534 38.000 -0.039 0.000 1.394 49 I HN 0.058 nan 8.210 nan 0.000 0.562 50 Q N 4.716 124.509 119.800 -0.012 0.000 2.316 50 Q HA 0.608 4.948 4.340 -0.000 0.000 0.215 50 Q C -0.324 175.680 176.000 0.006 0.000 1.020 50 Q CA -0.759 55.043 55.803 -0.002 0.000 0.970 50 Q CB 0.591 29.330 28.738 0.002 0.000 1.187 50 Q HN 0.810 nan 8.270 nan 0.000 0.546 51 A N 0.709 123.538 122.820 0.014 0.000 2.363 51 A HA 0.213 4.533 4.320 -0.000 0.000 0.270 51 A C -0.156 177.448 177.584 0.032 0.000 1.121 51 A CA -0.156 51.895 52.037 0.023 0.000 0.800 51 A CB -0.010 19.006 19.000 0.026 0.000 1.052 51 A HN 0.896 nan 8.150 nan 0.000 0.493 52 E N -0.546 119.681 120.200 0.044 0.000 3.170 52 E HA -0.219 4.131 4.350 -0.000 0.000 0.284 52 E C 0.168 176.798 176.600 0.051 0.000 0.967 52 E CA 1.229 57.664 56.400 0.059 0.000 0.919 52 E CB -1.417 28.316 29.700 0.055 0.000 1.469 52 E HN 0.872 nan 8.360 nan 0.000 0.444 53 E N 0.806 121.028 120.200 0.037 0.000 2.349 53 E HA 0.343 4.693 4.350 -0.000 0.000 0.265 53 E C -0.452 176.162 176.600 0.024 0.000 1.064 53 E CA -0.601 55.811 56.400 0.020 0.000 0.886 53 E CB 0.790 30.493 29.700 0.005 0.000 1.036 53 E HN 0.096 nan 8.360 nan 0.000 0.413 54 L N 4.732 125.955 121.223 0.001 0.000 2.371 54 L HA 0.288 4.628 4.340 -0.000 0.000 0.272 54 L C -0.667 176.190 176.870 -0.022 0.000 1.124 54 L CA -0.106 54.727 54.840 -0.012 0.000 0.816 54 L CB 1.278 43.307 42.059 -0.051 0.000 1.129 54 L HN 0.411 nan 8.230 nan 0.000 0.448 55 V N 1.139 121.044 119.914 -0.016 0.000 3.141 55 V HA 0.736 4.856 4.120 -0.000 0.000 0.312 55 V C -0.924 175.128 176.094 -0.069 0.000 1.157 55 V CA -0.854 61.399 62.300 -0.079 0.000 1.041 55 V CB 1.781 33.510 31.823 -0.157 0.000 1.071 55 V HN 0.857 nan 8.190 nan 0.000 0.441 56 E N 0.111 120.221 120.200 -0.149 0.000 2.293 56 E HA 0.649 4.999 4.350 -0.000 0.000 0.270 56 E C -1.913 174.581 176.600 -0.177 0.000 0.879 56 E CA -0.654 55.712 56.400 -0.057 0.000 0.756 56 E CB 2.225 31.913 29.700 -0.019 0.000 1.208 56 E HN 0.594 nan 8.360 nan 0.000 0.428 57 F N 0.804 120.768 119.950 0.023 0.000 2.461 57 F HA 0.262 4.789 4.527 -0.000 0.000 0.332 57 F C 1.576 177.387 175.800 0.019 0.000 1.073 57 F CA -0.478 57.537 58.000 0.025 0.000 1.017 57 F CB 1.635 40.654 39.000 0.032 0.000 1.301 57 F HN 0.453 nan 8.300 nan 0.000 0.492 58 S N -0.650 115.190 115.700 0.233 0.000 2.507 58 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 58 S C 1.894 176.560 174.600 0.110 0.000 0.988 58 S CA 1.126 59.402 58.200 0.127 0.000 0.944 58 S CB -0.207 63.056 63.200 0.106 0.000 0.762 58 S HN 0.611 nan 8.310 nan 0.000 0.526 59 S N -0.179 115.603 115.700 0.136 0.000 2.470 59 S HA 0.330 4.800 4.470 -0.000 0.000 0.222 59 S C 1.452 176.099 174.600 0.078 0.000 1.024 59 S CA 1.045 59.294 58.200 0.083 0.000 0.931 59 S CB 0.097 63.329 63.200 0.054 0.000 0.791 59 S HN 0.677 nan 8.310 nan 0.000 0.513 60 G N 0.170 109.038 108.800 0.112 0.000 2.229 60 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.189 60 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.189 60 G C 0.121 175.087 174.900 0.109 0.000 1.000 60 G CA 0.010 45.164 45.100 0.091 0.000 0.663 60 G HN 0.796 nan 8.290 nan 0.000 0.493 61 V N 1.835 121.831 119.914 0.137 0.000 2.583 61 V HA 0.633 4.753 4.120 -0.000 0.000 0.287 61 V C 0.571 176.842 176.094 0.294 0.000 1.051 61 V CA -0.130 62.254 62.300 0.139 0.000 1.010 61 V CB 0.999 32.840 31.823 0.031 0.000 0.988 61 V HN 0.317 nan 8.190 nan 0.000 0.478 62 K N 4.383 124.926 120.400 0.239 0.000 2.132 62 K HA 0.807 5.127 4.320 -0.000 0.000 0.241 62 K C 0.103 176.961 176.600 0.430 0.000 1.000 62 K CA -0.105 56.344 56.287 0.270 0.000 0.911 62 K CB 1.619 34.145 32.500 0.043 0.000 1.093 62 K HN 0.905 nan 8.250 nan 0.000 0.460 63 G N 0.020 109.079 108.800 0.432 0.000 2.788 63 G HA2 0.613 4.573 3.960 -0.000 0.000 0.293 63 G HA3 0.613 4.573 3.960 -0.000 0.000 0.293 63 G C -1.796 173.361 174.900 0.428 0.000 1.392 63 G CA -0.707 44.737 45.100 0.574 0.000 0.810 63 G HN 0.454 nan 8.290 nan 0.000 0.508 64 M N 0.828 120.678 119.600 0.417 0.000 2.213 64 M HA 0.604 5.084 4.480 -0.000 0.000 0.286 64 M C -0.383 176.018 176.300 0.169 0.000 1.008 64 M CA -0.831 54.648 55.300 0.299 0.000 0.937 64 M CB 1.958 34.819 32.600 0.435 0.000 1.600 64 M HN 0.737 nan 8.290 nan 0.000 0.450 65 A N 4.761 127.646 122.820 0.108 0.000 2.655 65 A HA 0.251 4.571 4.320 -0.000 0.000 0.297 65 A C 0.334 177.952 177.584 0.057 0.000 1.461 65 A CA -0.240 51.837 52.037 0.067 0.000 1.146 65 A CB -0.350 18.672 19.000 0.036 0.000 1.108 65 A HN 0.953 nan 8.150 nan 0.000 0.550 66 L N 3.096 124.348 121.223 0.048 0.000 1.995 66 L HA 0.077 4.417 4.340 -0.000 0.000 0.206 66 L C 1.069 177.953 176.870 0.023 0.000 1.098 66 L CA 1.960 56.818 54.840 0.030 0.000 0.762 66 L CB -0.375 41.684 42.059 0.000 0.000 0.900 66 L HN 0.837 nan 8.230 nan 0.000 0.441 67 N N -0.606 118.102 118.700 0.014 0.000 2.473 67 N HA 0.484 5.224 4.740 -0.000 0.000 0.291 67 N C -1.491 174.027 175.510 0.013 0.000 1.083 67 N CA -0.468 52.590 53.050 0.012 0.000 0.951 67 N CB 0.967 39.457 38.487 0.005 0.000 1.164 67 N HN 0.040 nan 8.380 nan 0.000 0.480 68 L N 1.108 122.337 121.223 0.010 0.000 2.318 68 L HA 0.372 4.712 4.340 -0.000 0.000 0.277 68 L C -0.147 176.726 176.870 0.005 0.000 1.008 68 L CA -0.341 54.502 54.840 0.005 0.000 0.846 68 L CB 0.906 42.965 42.059 0.001 0.000 1.220 68 L HN 0.640 nan 8.230 nan 0.000 0.423 69 E N 4.056 124.261 120.200 0.008 0.000 2.227 69 E HA 0.439 4.789 4.350 -0.000 0.000 0.268 69 E C -2.220 174.387 176.600 0.011 0.000 0.990 69 E CA -1.991 54.417 56.400 0.013 0.000 0.856 69 E CB 0.995 30.708 29.700 0.021 0.000 1.159 69 E HN 0.294 nan 8.360 nan 0.000 0.401 70 P HA 0.050 nan 4.420 nan 0.000 0.266 70 P C 0.263 177.588 177.300 0.041 0.000 1.419 70 P CA 0.487 63.597 63.100 0.017 0.000 1.112 70 P CB 0.315 32.026 31.700 0.018 0.000 1.438 71 G N 3.128 111.955 108.800 0.045 0.000 3.465 71 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.196 71 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.196 71 G C -0.272 174.723 174.900 0.158 0.000 1.170 71 G CA -0.043 45.135 45.100 0.130 0.000 0.887 71 G HN 0.667 nan 8.290 nan 0.000 0.444 72 Q N -0.318 119.538 119.800 0.094 0.000 2.511 72 Q HA 0.745 5.085 4.340 -0.000 0.000 0.289 72 Q C -1.614 174.409 176.000 0.039 0.000 1.021 72 Q CA -1.083 54.776 55.803 0.093 0.000 0.785 72 Q CB 2.738 31.559 28.738 0.138 0.000 1.472 72 Q HN 0.411 nan 8.270 nan 0.000 0.411 73 V N 0.835 120.769 119.914 0.034 0.000 2.417 73 V HA 0.623 4.743 4.120 -0.000 0.000 0.291 73 V C 0.270 176.389 176.094 0.042 0.000 1.024 73 V CA -0.358 61.956 62.300 0.023 0.000 0.861 73 V CB 1.555 33.380 31.823 0.004 0.000 0.985 73 V HN 0.874 nan 8.190 nan 0.000 0.436 74 G N 5.103 113.923 108.800 0.034 0.000 2.448 74 G HA2 0.542 4.502 3.960 -0.000 0.000 0.309 74 G HA3 0.542 4.502 3.960 -0.000 0.000 0.309 74 G C -0.584 174.341 174.900 0.042 0.000 1.027 74 G CA -0.112 45.008 45.100 0.034 0.000 1.104 74 G HN 0.512 nan 8.290 nan 0.000 0.428 75 I N 1.784 122.399 120.570 0.075 0.000 2.440 75 I HA 0.214 4.384 4.170 -0.000 0.000 0.294 75 I C 0.272 176.436 176.117 0.079 0.000 0.995 75 I CA -0.514 60.853 61.300 0.112 0.000 1.306 75 I CB 2.162 40.289 38.000 0.212 0.000 1.407 75 I HN 0.138 nan 8.210 nan 0.000 0.501 76 V N 6.720 126.672 119.914 0.063 0.000 2.383 76 V HA 0.332 4.452 4.120 -0.000 0.000 0.275 76 V C 0.168 176.255 176.094 -0.011 0.000 1.036 76 V CA -0.756 61.521 62.300 -0.040 0.000 0.889 76 V CB 0.876 32.614 31.823 -0.142 0.000 0.985 76 V HN 0.421 nan 8.190 nan 0.000 0.459 77 L N 4.602 125.783 121.223 -0.071 0.000 2.397 77 L HA 0.361 4.701 4.340 -0.000 0.000 0.271 77 L C 0.080 176.883 176.870 -0.112 0.000 1.148 77 L CA -0.007 54.807 54.840 -0.043 0.000 0.825 77 L CB 0.392 42.365 42.059 -0.143 0.000 1.117 77 L HN 0.531 nan 8.230 nan 0.000 0.456 78 F N 1.643 121.598 119.950 0.008 0.000 2.986 78 F HA 0.466 4.993 4.527 -0.000 0.000 0.297 78 F C 0.946 176.748 175.800 0.003 0.000 1.210 78 F CA -0.153 57.863 58.000 0.026 0.000 1.346 78 F CB 0.490 39.524 39.000 0.056 0.000 1.007 78 F HN 0.537 nan 8.300 nan 0.000 0.512 79 G N -1.167 107.668 108.800 0.057 0.000 2.430 79 G HA2 0.284 4.244 3.960 -0.000 0.000 0.300 79 G HA3 0.284 4.244 3.960 -0.000 0.000 0.300 79 G C -1.201 173.678 174.900 -0.035 0.000 1.330 79 G CA -0.823 44.291 45.100 0.023 0.000 0.813 79 G HN -0.032 nan 8.290 nan 0.000 0.487 80 S N -1.131 114.551 115.700 -0.031 0.000 2.569 80 S HA 0.149 4.619 4.470 -0.000 0.000 0.274 80 S C 1.022 175.577 174.600 -0.075 0.000 1.353 80 S CA 0.807 58.980 58.200 -0.045 0.000 1.023 80 S CB 0.535 63.717 63.200 -0.029 0.000 0.876 80 S HN 0.434 nan 8.310 nan 0.000 0.540 81 D N 1.720 122.077 120.400 -0.072 0.000 2.224 81 D HA -0.014 4.625 4.640 -0.000 0.000 0.205 81 D C 2.007 178.261 176.300 -0.077 0.000 0.965 81 D CA 0.803 54.752 54.000 -0.085 0.000 0.852 81 D CB -0.129 40.632 40.800 -0.066 0.000 0.947 81 D HN 0.589 nan 8.370 nan 0.000 0.494 82 R N 0.467 120.935 120.500 -0.055 0.000 2.103 82 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 82 R C 1.997 178.270 176.300 -0.045 0.000 1.142 82 R CA 0.984 57.060 56.100 -0.041 0.000 0.960 82 R CB -0.309 29.974 30.300 -0.027 0.000 0.858 82 R HN 0.210 nan 8.270 nan 0.000 0.439 83 L N 0.439 121.627 121.223 -0.059 0.000 2.127 83 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 83 L C 0.580 177.406 176.870 -0.073 0.000 1.089 83 L CA 0.530 55.336 54.840 -0.057 0.000 0.757 83 L CB -0.125 41.897 42.059 -0.063 0.000 0.899 83 L HN -0.012 nan 8.230 nan 0.000 0.434 84 V N 0.859 120.697 119.914 -0.127 0.000 2.407 84 V HA 0.209 4.329 4.120 -0.000 0.000 0.278 84 V C 0.056 176.120 176.094 -0.051 0.000 1.037 84 V CA -0.544 61.675 62.300 -0.135 0.000 0.900 84 V CB 1.334 32.972 31.823 -0.308 0.000 0.983 84 V HN 0.160 nan 8.190 nan 0.000 0.459 85 K N 2.790 123.192 120.400 0.003 0.000 2.238 85 K HA 0.469 4.789 4.320 -0.000 0.000 0.239 85 K C -0.234 176.391 176.600 0.042 0.000 0.987 85 K CA -0.845 55.452 56.287 0.016 0.000 0.857 85 K CB 2.165 34.677 32.500 0.020 0.000 1.154 85 K HN 0.721 nan 8.250 nan 0.000 0.439 86 E N 0.613 120.833 120.200 0.033 0.000 2.265 86 E HA 0.092 4.442 4.350 -0.000 0.000 0.272 86 E C 0.180 176.809 176.600 0.048 0.000 1.067 86 E CA 0.406 56.832 56.400 0.042 0.000 0.900 86 E CB -0.049 29.666 29.700 0.024 0.000 1.017 86 E HN 0.804 nan 8.360 nan 0.000 0.431 87 G N 3.843 112.684 108.800 0.068 0.000 2.175 87 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.182 87 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.182 87 G C 0.077 175.020 174.900 0.071 0.000 1.003 87 G CA -0.052 45.086 45.100 0.063 0.000 0.666 87 G HN 0.590 nan 8.290 nan 0.000 0.506 88 E N -0.740 119.517 120.200 0.095 0.000 2.421 88 E HA 0.502 4.852 4.350 -0.000 0.000 0.253 88 E C 0.155 176.803 176.600 0.081 0.000 1.277 88 E CA -0.594 55.866 56.400 0.100 0.000 0.968 88 E CB 0.962 30.753 29.700 0.151 0.000 1.040 88 E HN 0.224 nan 8.360 nan 0.000 0.512 89 L N 0.912 122.169 121.223 0.058 0.000 2.350 89 L HA 0.227 4.567 4.340 -0.000 0.000 0.275 89 L C -1.109 175.732 176.870 -0.049 0.000 1.099 89 L CA -0.250 54.597 54.840 0.012 0.000 0.808 89 L CB 1.366 43.429 42.059 0.007 0.000 1.149 89 L HN 0.152 nan 8.230 nan 0.000 0.442 90 V N 5.135 124.984 119.914 -0.110 0.000 2.380 90 V HA 0.429 4.549 4.120 -0.000 0.000 0.286 90 V C -0.083 175.900 176.094 -0.186 0.000 1.015 90 V CA -0.874 61.274 62.300 -0.254 0.000 0.834 90 V CB 1.109 32.743 31.823 -0.315 0.000 1.009 90 V HN 0.747 nan 8.190 nan 0.000 0.428 91 K N 3.477 123.771 120.400 -0.176 0.000 2.109 91 K HA 0.689 5.009 4.320 -0.000 0.000 0.243 91 K C -0.090 176.437 176.600 -0.121 0.000 1.006 91 K CA -0.836 55.382 56.287 -0.115 0.000 0.917 91 K CB 1.600 34.054 32.500 -0.077 0.000 1.081 91 K HN 0.506 nan 8.250 nan 0.000 0.468 92 R N -0.478 119.973 120.500 -0.082 0.000 2.810 92 R HA 0.335 4.674 4.340 -0.000 0.000 0.245 92 R C 0.460 176.728 176.300 -0.052 0.000 1.168 92 R CA -0.557 55.502 56.100 -0.069 0.000 1.096 92 R CB 1.311 31.578 30.300 -0.055 0.000 1.259 92 R HN 0.586 nan 8.270 nan 0.000 0.518 93 T N -1.448 113.081 114.554 -0.042 0.000 3.115 93 T HA 0.193 4.543 4.350 -0.000 0.000 0.256 93 T C 0.977 175.661 174.700 -0.025 0.000 0.970 93 T CA 0.454 62.534 62.100 -0.033 0.000 1.010 93 T CB 0.776 69.624 68.868 -0.034 0.000 1.151 93 T HN 0.861 nan 8.240 nan 0.000 0.479 94 G N 2.098 110.884 108.800 -0.023 0.000 2.213 94 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 94 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 94 G C -0.138 174.755 174.900 -0.011 0.000 0.991 94 G CA -0.304 44.786 45.100 -0.016 0.000 0.629 94 G HN 0.453 nan 8.290 nan 0.000 0.517 95 N N 0.359 119.051 118.700 -0.012 0.000 2.342 95 N HA 0.528 5.268 4.740 -0.000 0.000 0.293 95 N C -0.010 175.496 175.510 -0.006 0.000 1.026 95 N CA -0.515 52.530 53.050 -0.008 0.000 0.857 95 N CB 1.483 39.964 38.487 -0.011 0.000 1.256 95 N HN 0.231 nan 8.380 nan 0.000 0.484 96 I N 2.039 122.611 120.570 0.004 0.000 2.389 96 I HA -0.055 4.115 4.170 -0.000 0.000 0.295 96 I C 0.899 177.021 176.117 0.008 0.000 1.117 96 I CA -0.449 60.858 61.300 0.011 0.000 1.317 96 I CB 0.027 38.039 38.000 0.020 0.000 1.431 96 I HN 0.404 nan 8.210 nan 0.000 0.521 97 V N 3.206 123.119 119.914 -0.001 0.000 5.637 97 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 97 V C 0.005 176.090 176.094 -0.014 0.000 0.678 97 V CA 0.600 62.891 62.300 -0.016 0.000 0.578 97 V CB -2.239 29.594 31.823 0.015 0.000 0.235 97 V HN 0.927 nan 8.190 nan 0.000 0.609 98 D N 1.367 121.754 120.400 -0.021 0.000 2.283 98 D HA 0.669 5.309 4.640 -0.000 0.000 0.248 98 D C 0.224 176.512 176.300 -0.020 0.000 1.072 98 D CA 0.059 54.054 54.000 -0.009 0.000 0.929 98 D CB 2.198 42.993 40.800 -0.007 0.000 1.182 98 D HN 1.368 nan 8.370 nan 0.000 0.433 99 V N -3.013 116.899 119.914 -0.004 0.000 2.733 99 V HA 0.477 4.597 4.120 -0.000 0.000 0.306 99 V C -2.987 173.102 176.094 -0.010 0.000 1.084 99 V CA -2.415 59.880 62.300 -0.010 0.000 0.905 99 V CB 1.711 33.536 31.823 0.004 0.000 1.010 99 V HN 0.323 nan 8.190 nan 0.000 0.424 100 P HA 0.207 nan 4.420 nan 0.000 0.260 100 P C -0.154 177.110 177.300 -0.060 0.000 1.207 100 P CA 0.395 63.470 63.100 -0.043 0.000 0.780 100 P CB 0.538 32.210 31.700 -0.047 0.000 0.789 101 V N 1.823 121.687 119.914 -0.083 0.000 2.769 101 V HA 1.038 5.158 4.120 -0.000 0.000 0.312 101 V C 0.268 176.134 176.094 -0.380 0.000 1.058 101 V CA -0.394 61.817 62.300 -0.147 0.000 0.952 101 V CB 1.612 33.414 31.823 -0.035 0.000 1.019 101 V HN 0.794 nan 8.190 nan 0.000 0.445 102 G N 2.824 111.228 108.800 -0.661 0.000 2.368 102 G HA2 0.345 4.305 3.960 -0.000 0.000 0.302 102 G HA3 0.345 4.305 3.960 -0.000 0.000 0.302 102 G C -3.076 171.283 174.900 -0.900 0.000 1.329 102 G CA 0.009 44.437 45.100 -1.120 0.000 0.935 102 G HN 0.518 nan 8.290 nan 0.000 0.590 103 P HA 0.154 nan 4.420 nan 0.000 0.241 103 P C 1.524 178.690 177.300 -0.224 0.000 1.191 103 P CA 1.219 64.028 63.100 -0.485 0.000 0.771 103 P CB 0.286 31.746 31.700 -0.400 0.000 0.929 104 G N -0.499 108.161 108.800 -0.233 0.000 3.279 104 G HA2 0.052 4.012 3.960 -0.000 0.000 0.230 104 G HA3 0.052 4.012 3.960 -0.000 0.000 0.230 104 G C 0.795 175.637 174.900 -0.096 0.000 1.230 104 G CA 0.068 45.090 45.100 -0.130 0.000 0.891 104 G HN 0.255 nan 8.290 nan 0.000 0.518 105 L N -0.789 120.379 121.223 -0.092 0.000 2.781 105 L HA 0.341 4.681 4.340 -0.000 0.000 0.245 105 L C 0.171 177.034 176.870 -0.012 0.000 1.118 105 L CA -0.454 54.356 54.840 -0.050 0.000 0.918 105 L CB 0.183 42.209 42.059 -0.055 0.000 1.246 105 L HN 0.006 nan 8.230 nan 0.000 0.526 106 L N 1.207 122.435 121.223 0.008 0.000 2.499 106 L HA 0.258 4.598 4.340 -0.000 0.000 0.273 106 L C 1.388 178.272 176.870 0.024 0.000 1.195 106 L CA 1.282 56.148 54.840 0.045 0.000 0.882 106 L CB 0.133 42.253 42.059 0.101 0.000 1.133 106 L HN 0.304 nan 8.230 nan 0.000 0.483 107 G N 1.800 110.606 108.800 0.011 0.000 2.148 107 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.254 107 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.254 107 G C 0.392 175.288 174.900 -0.006 0.000 0.981 107 G CA -0.240 44.857 45.100 -0.005 0.000 0.670 107 G HN 0.429 nan 8.290 nan 0.000 0.528 108 R N -0.662 119.836 120.500 -0.003 0.000 2.686 108 R HA 0.650 4.990 4.340 -0.000 0.000 0.286 108 R C -0.604 175.697 176.300 0.003 0.000 0.969 108 R CA -0.673 55.425 56.100 -0.003 0.000 0.898 108 R CB 2.273 32.568 30.300 -0.009 0.000 1.183 108 R HN 0.194 nan 8.270 nan 0.000 0.456 109 V N 3.153 123.071 119.914 0.007 0.000 2.417 109 V HA 0.513 4.633 4.120 -0.000 0.000 0.291 109 V C 0.270 176.373 176.094 0.014 0.000 1.024 109 V CA -0.753 61.557 62.300 0.017 0.000 0.861 109 V CB 1.604 33.442 31.823 0.025 0.000 0.985 109 V HN 0.611 nan 8.190 nan 0.000 0.436 110 V N 0.951 120.874 119.914 0.015 0.000 3.158 110 V HA 0.806 4.926 4.120 -0.000 0.000 0.311 110 V C -0.322 175.785 176.094 0.022 0.000 1.181 110 V CA -0.831 61.477 62.300 0.013 0.000 1.054 110 V CB 2.084 33.909 31.823 0.003 0.000 1.085 110 V HN 0.764 nan 8.190 nan 0.000 0.446 111 D N 1.350 121.765 120.400 0.024 0.000 2.430 111 D HA 0.466 5.106 4.640 -0.000 0.000 0.285 111 D C 1.185 177.509 176.300 0.040 0.000 1.210 111 D CA 0.256 54.278 54.000 0.037 0.000 1.080 111 D CB 0.610 41.436 40.800 0.044 0.000 1.134 111 D HN 0.827 nan 8.370 nan 0.000 0.562 112 A N -1.042 121.816 122.820 0.063 0.000 2.016 112 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 112 A C 2.420 180.026 177.584 0.037 0.000 1.162 112 A CA 0.598 52.681 52.037 0.077 0.000 0.662 112 A CB -0.744 18.344 19.000 0.148 0.000 0.812 112 A HN 0.483 nan 8.150 nan 0.000 0.450 113 L N -1.748 119.476 121.223 0.002 0.000 2.270 113 L HA 0.197 4.537 4.340 -0.000 0.000 0.210 113 L C 1.574 178.421 176.870 -0.038 0.000 1.104 113 L CA 0.812 55.616 54.840 -0.060 0.000 0.804 113 L CB -0.123 41.878 42.059 -0.096 0.000 0.937 113 L HN 0.559 nan 8.230 nan 0.000 0.450 114 G N 0.216 109.007 108.800 -0.016 0.000 2.155 114 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.135 114 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.135 114 G C -0.540 174.350 174.900 -0.016 0.000 1.023 114 G CA -0.702 44.388 45.100 -0.016 0.000 0.688 114 G HN 0.235 nan 8.290 nan 0.000 0.499 115 N N 1.655 120.350 118.700 -0.008 0.000 2.419 115 N HA 0.457 5.197 4.740 -0.000 0.000 0.277 115 N C -2.623 172.887 175.510 0.000 0.000 1.006 115 N CA -1.753 51.294 53.050 -0.005 0.000 0.923 115 N CB 2.073 40.560 38.487 -0.001 0.000 1.140 115 N HN 0.090 nan 8.380 nan 0.000 0.488 116 P HA 0.018 nan 4.420 nan 0.000 0.257 116 P C 0.712 178.015 177.300 0.006 0.000 1.269 116 P CA -0.195 62.905 63.100 -0.000 0.000 1.122 116 P CB -0.213 31.484 31.700 -0.004 0.000 1.285 117 I N 0.569 121.145 120.570 0.011 0.000 3.684 117 I HA 0.008 4.178 4.170 -0.000 0.000 0.304 117 I C 1.234 177.359 176.117 0.014 0.000 1.278 117 I CA 0.669 61.978 61.300 0.015 0.000 1.272 117 I CB -0.915 37.098 38.000 0.022 0.000 1.029 117 I HN 0.054 nan 8.210 nan 0.000 0.458 118 D N 1.419 121.825 120.400 0.010 0.000 2.333 118 D HA 0.101 4.741 4.640 -0.000 0.000 0.208 118 D C 1.533 177.836 176.300 0.005 0.000 0.984 118 D CA 0.631 54.637 54.000 0.009 0.000 0.873 118 D CB -0.365 40.439 40.800 0.007 0.000 0.935 118 D HN 0.416 nan 8.370 nan 0.000 0.521 119 G N 1.099 109.902 108.800 0.004 0.000 2.417 119 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.291 119 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.291 119 G C -0.013 174.888 174.900 0.000 0.000 1.094 119 G CA 0.050 45.152 45.100 0.003 0.000 1.146 119 G HN 0.405 nan 8.290 nan 0.000 0.519 120 K N 0.299 120.698 120.400 -0.002 0.000 3.278 120 K HA 0.495 4.815 4.320 -0.000 0.000 0.200 120 K C 1.078 177.675 176.600 -0.005 0.000 1.107 120 K CA -0.023 56.262 56.287 -0.003 0.000 0.923 120 K CB 0.752 33.249 32.500 -0.004 0.000 0.787 120 K HN 1.800 nan 8.250 nan 0.000 0.481 121 G N 2.146 110.943 108.800 -0.005 0.000 2.693 121 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 121 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 121 G C -2.806 172.089 174.900 -0.009 0.000 1.354 121 G CA -1.074 44.022 45.100 -0.007 0.000 0.873 121 G HN 0.132 nan 8.290 nan 0.000 0.562 122 P HA 0.545 nan 4.420 nan 0.000 0.279 122 P C 0.290 177.577 177.300 -0.022 0.000 1.276 122 P CA -0.737 62.353 63.100 -0.016 0.000 0.801 122 P CB 0.477 32.168 31.700 -0.016 0.000 1.127 123 I N -1.830 118.724 120.570 -0.028 0.000 2.396 123 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 123 I C -0.217 175.870 176.117 -0.049 0.000 0.999 123 I CA -0.474 60.802 61.300 -0.039 0.000 1.310 123 I CB 0.674 38.648 38.000 -0.044 0.000 1.404 123 I HN 0.168 nan 8.210 nan 0.000 0.496 124 D N 5.743 126.107 120.400 -0.059 0.000 2.600 124 D HA 0.360 5.000 4.640 -0.000 0.000 0.226 124 D C 0.303 176.543 176.300 -0.100 0.000 1.119 124 D CA -0.011 53.949 54.000 -0.068 0.000 1.051 124 D CB -0.063 40.698 40.800 -0.064 0.000 1.106 124 D HN 0.724 nan 8.370 nan 0.000 0.491 125 A N 2.346 125.113 122.820 -0.089 0.000 2.444 125 A HA 0.458 4.778 4.320 -0.000 0.000 0.273 125 A C 1.124 178.643 177.584 -0.109 0.000 1.136 125 A CA -0.016 51.955 52.037 -0.111 0.000 0.799 125 A CB 0.377 19.331 19.000 -0.077 0.000 1.081 125 A HN 0.546 nan 8.150 nan 0.000 0.509 126 A N 2.849 125.567 122.820 -0.169 0.000 2.346 126 A HA 0.536 4.856 4.320 -0.000 0.000 0.242 126 A C 1.092 178.658 177.584 -0.031 0.000 1.323 126 A CA 0.758 52.731 52.037 -0.106 0.000 0.940 126 A CB -1.096 17.811 19.000 -0.155 0.000 0.943 126 A HN 2.538 nan 8.150 nan 0.000 0.501 127 G N -0.739 108.037 108.800 -0.041 0.000 2.347 127 G HA2 0.262 4.222 3.960 -0.000 0.000 0.477 127 G HA3 0.262 4.222 3.960 -0.000 0.000 0.477 127 G C -1.129 173.764 174.900 -0.011 0.000 1.349 127 G CA -1.182 43.920 45.100 0.003 0.000 1.000 127 G HN 0.416 nan 8.290 nan 0.000 0.605 128 R N -0.365 120.142 120.500 0.013 0.000 2.575 128 R HA 0.725 5.065 4.340 -0.000 0.000 0.293 128 R C -0.712 175.608 176.300 0.033 0.000 0.983 128 R CA -0.692 55.414 56.100 0.010 0.000 0.887 128 R CB 2.150 32.449 30.300 -0.002 0.000 1.184 128 R HN 0.629 nan 8.270 nan 0.000 0.445 129 S N 1.617 117.342 115.700 0.042 0.000 2.536 129 S HA 0.462 4.932 4.470 -0.000 0.000 0.298 129 S C -0.269 174.360 174.600 0.048 0.000 1.083 129 S CA -0.824 57.411 58.200 0.058 0.000 0.995 129 S CB 1.091 64.346 63.200 0.091 0.000 1.058 129 S HN 0.452 nan 8.310 nan 0.000 0.488 130 R N 1.323 121.852 120.500 0.049 0.000 2.694 130 R HA 0.294 4.634 4.340 -0.000 0.000 0.268 130 R C 1.086 177.424 176.300 0.064 0.000 1.061 130 R CA 0.378 56.505 56.100 0.046 0.000 1.133 130 R CB 0.261 30.587 30.300 0.044 0.000 1.020 130 R HN 0.732 nan 8.270 nan 0.000 0.475 131 A N 1.884 124.741 122.820 0.062 0.000 2.178 131 A HA -0.021 4.299 4.320 -0.000 0.000 0.211 131 A C 0.349 178.012 177.584 0.133 0.000 1.157 131 A CA 0.729 52.825 52.037 0.099 0.000 0.780 131 A CB 0.379 19.427 19.000 0.080 0.000 0.828 131 A HN 0.473 nan 8.150 nan 0.000 0.476 132 Q N 0.881 120.730 119.800 0.081 0.000 2.626 132 Q HA 0.388 4.728 4.340 -0.000 0.000 0.239 132 Q C -1.226 174.827 176.000 0.089 0.000 1.101 132 Q CA 0.023 55.877 55.803 0.086 0.000 0.918 132 Q CB 0.993 29.744 28.738 0.021 0.000 1.151 132 Q HN 0.200 nan 8.270 nan 0.000 0.531 133 V N 1.416 121.393 119.914 0.105 0.000 2.483 133 V HA 0.358 4.478 4.120 -0.000 0.000 0.295 133 V C 0.453 176.590 176.094 0.073 0.000 1.035 133 V CA -0.873 61.475 62.300 0.080 0.000 0.896 133 V CB 2.107 33.975 31.823 0.075 0.000 0.986 133 V HN 0.401 nan 8.190 nan 0.000 0.447 134 K N 2.523 122.960 120.400 0.063 0.000 2.237 134 K HA 0.605 4.925 4.320 -0.000 0.000 0.270 134 K C 0.111 176.738 176.600 0.045 0.000 1.015 134 K CA -0.235 56.087 56.287 0.058 0.000 0.949 134 K CB 0.956 33.492 32.500 0.060 0.000 0.976 134 K HN 0.894 nan 8.250 nan 0.000 0.472 135 A N 4.616 127.459 122.820 0.038 0.000 2.316 135 A HA 0.378 4.697 4.320 -0.000 0.000 0.284 135 A C -2.150 175.452 177.584 0.029 0.000 1.115 135 A CA -1.420 50.634 52.037 0.028 0.000 0.812 135 A CB -0.143 18.866 19.000 0.015 0.000 1.064 135 A HN 0.661 nan 8.150 nan 0.000 0.489 136 P HA 0.140 nan 4.420 nan 0.000 0.265 136 P C 0.567 177.882 177.300 0.024 0.000 1.187 136 P CA 0.400 63.514 63.100 0.023 0.000 0.766 136 P CB 0.491 32.203 31.700 0.021 0.000 0.820 137 G N 1.787 110.601 108.800 0.024 0.000 2.504 137 G HA2 0.203 4.163 3.960 -0.000 0.000 0.257 137 G HA3 0.203 4.163 3.960 -0.000 0.000 0.257 137 G C 1.182 176.095 174.900 0.021 0.000 1.451 137 G CA -0.592 44.522 45.100 0.024 0.000 1.059 137 G HN 0.368 nan 8.290 nan 0.000 0.550 138 I N -0.594 119.988 120.570 0.021 0.000 2.286 138 I HA -0.032 4.138 4.170 -0.000 0.000 0.245 138 I C 2.664 178.791 176.117 0.017 0.000 1.104 138 I CA 0.799 62.111 61.300 0.019 0.000 1.397 138 I CB -1.249 36.762 38.000 0.018 0.000 1.072 138 I HN 0.238 nan 8.210 nan 0.000 0.417 139 L N 1.948 123.181 121.223 0.016 0.000 2.023 139 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 139 L C -0.767 176.112 176.870 0.015 0.000 1.073 139 L CA 2.021 56.870 54.840 0.015 0.000 0.745 139 L CB -1.891 40.176 42.059 0.013 0.000 0.900 139 L HN 0.103 nan 8.230 nan 0.000 0.435 140 P HA -0.005 nan 4.420 nan 0.000 0.259 140 P C -0.467 176.844 177.300 0.018 0.000 1.307 140 P CA 0.605 63.714 63.100 0.015 0.000 0.768 140 P CB -0.068 31.640 31.700 0.013 0.000 1.199 141 R N 0.104 120.616 120.500 0.020 0.000 2.732 141 R HA 0.641 4.981 4.340 -0.000 0.000 0.278 141 R C 0.032 176.348 176.300 0.027 0.000 0.976 141 R CA -0.833 55.281 56.100 0.022 0.000 0.963 141 R CB 2.201 32.513 30.300 0.019 0.000 1.150 141 R HN -0.091 nan 8.270 nan 0.000 0.478 142 R N 0.725 121.246 120.500 0.034 0.000 2.564 142 R HA 0.170 4.510 4.340 -0.000 0.000 0.284 142 R C -0.890 175.441 176.300 0.051 0.000 1.031 142 R CA -0.333 55.797 56.100 0.050 0.000 0.904 142 R CB 2.135 32.480 30.300 0.075 0.000 1.199 142 R HN 0.684 nan 8.270 nan 0.000 0.443 143 S N 2.468 118.201 115.700 0.055 0.000 2.561 143 S HA 0.000 4.470 4.470 -0.000 0.000 0.294 143 S C 0.507 175.141 174.600 0.056 0.000 1.294 143 S CA -0.359 57.869 58.200 0.047 0.000 1.055 143 S CB 0.242 63.471 63.200 0.049 0.000 0.819 143 S HN 0.388 nan 8.310 nan 0.000 0.503 144 V N 5.032 124.942 119.914 -0.007 0.000 2.740 144 V HA 0.354 4.474 4.120 -0.000 0.000 0.303 144 V C 1.180 177.250 176.094 -0.039 0.000 1.054 144 V CA 0.573 62.817 62.300 -0.094 0.000 1.106 144 V CB 0.506 32.272 31.823 -0.096 0.000 0.957 144 V HN 1.108 nan 8.190 nan 0.000 0.486 145 H N 0.490 119.531 119.070 -0.049 0.000 3.678 145 H HA 0.390 4.946 4.556 -0.000 0.000 0.246 145 H C 0.202 175.485 175.328 -0.074 0.000 1.016 145 H CA -0.321 55.697 56.048 -0.050 0.000 1.104 145 H CB 0.629 30.368 29.762 -0.039 0.000 1.449 145 H HN 0.655 nan 8.280 nan 0.000 0.606 146 E N 3.666 123.661 120.200 -0.342 0.000 2.283 146 E HA 0.301 4.651 4.350 -0.000 0.000 0.278 146 E C -2.600 173.872 176.600 -0.213 0.000 1.027 146 E CA -1.967 54.300 56.400 -0.220 0.000 0.843 146 E CB 1.625 31.121 29.700 -0.340 0.000 1.062 146 E HN 0.240 nan 8.360 nan 0.000 0.401 147 P HA 0.106 nan 4.420 nan 0.000 0.292 147 P C -0.930 176.238 177.300 -0.220 0.000 1.287 147 P CA -0.445 62.555 63.100 -0.166 0.000 0.800 147 P CB 0.917 32.538 31.700 -0.132 0.000 0.945 148 V N 4.859 124.667 119.914 -0.176 0.000 2.320 148 V HA 0.135 4.255 4.120 -0.000 0.000 0.265 148 V C 0.494 176.508 176.094 -0.133 0.000 1.048 148 V CA -0.187 62.008 62.300 -0.174 0.000 0.865 148 V CB -0.059 31.688 31.823 -0.126 0.000 1.043 148 V HN 0.482 nan 8.190 nan 0.000 0.474 149 Q N 2.384 122.085 119.800 -0.165 0.000 2.295 149 Q HA 0.189 4.529 4.340 -0.000 0.000 0.259 149 Q C 1.276 177.262 176.000 -0.023 0.000 0.976 149 Q CA 0.090 55.843 55.803 -0.083 0.000 0.923 149 Q CB 1.265 29.957 28.738 -0.077 0.000 1.185 149 Q HN 0.895 nan 8.270 nan 0.000 0.410 150 T N -1.166 113.385 114.554 -0.005 0.000 3.043 150 T HA 0.115 4.465 4.350 -0.000 0.000 0.263 150 T C 1.305 176.022 174.700 0.028 0.000 1.094 150 T CA 0.422 62.527 62.100 0.008 0.000 1.127 150 T CB 0.044 68.911 68.868 -0.001 0.000 0.905 150 T HN 0.905 nan 8.240 nan 0.000 0.490 151 G N 1.133 109.958 108.800 0.042 0.000 2.147 151 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 151 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 151 G C -0.231 174.684 174.900 0.026 0.000 1.005 151 G CA 0.297 45.428 45.100 0.052 0.000 0.713 151 G HN 0.738 nan 8.290 nan 0.000 0.515 152 L N -0.464 120.768 121.223 0.015 0.000 2.356 152 L HA 0.548 4.888 4.340 -0.000 0.000 0.277 152 L C 1.574 178.449 176.870 0.008 0.000 0.996 152 L CA -1.030 53.813 54.840 0.005 0.000 0.822 152 L CB 0.842 42.899 42.059 -0.004 0.000 1.256 152 L HN 0.115 nan 8.230 nan 0.000 0.413 153 K N 2.617 123.021 120.400 0.007 0.000 2.000 153 K HA -0.247 4.073 4.320 -0.000 0.000 0.218 153 K C 1.749 178.356 176.600 0.011 0.000 1.053 153 K CA 2.175 58.467 56.287 0.009 0.000 0.946 153 K CB -0.245 32.258 32.500 0.005 0.000 0.723 153 K HN 0.823 nan 8.250 nan 0.000 0.446 154 A N 0.856 123.682 122.820 0.010 0.000 1.933 154 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 154 A C 2.387 179.981 177.584 0.017 0.000 1.175 154 A CA 1.637 53.683 52.037 0.016 0.000 0.628 154 A CB -0.628 18.381 19.000 0.016 0.000 0.814 154 A HN 0.116 nan 8.150 nan 0.000 0.444 155 V N 0.431 120.352 119.914 0.012 0.000 2.239 155 V HA -0.194 3.926 4.120 -0.000 0.000 0.242 155 V C 2.011 178.111 176.094 0.009 0.000 1.038 155 V CA 2.054 64.361 62.300 0.011 0.000 1.002 155 V CB -0.837 30.989 31.823 0.005 0.000 0.641 155 V HN 0.480 nan 8.190 nan 0.000 0.449 156 D N 0.030 120.434 120.400 0.007 0.000 2.354 156 D HA -0.084 4.556 4.640 -0.000 0.000 0.216 156 D C 1.872 178.178 176.300 0.009 0.000 0.970 156 D CA 1.425 55.427 54.000 0.004 0.000 0.905 156 D CB 0.140 40.944 40.800 0.006 0.000 0.903 156 D HN 0.485 nan 8.370 nan 0.000 0.508 157 A N -0.180 122.649 122.820 0.015 0.000 1.909 157 A HA 0.105 4.425 4.320 -0.000 0.000 0.209 157 A C 2.228 179.827 177.584 0.024 0.000 1.247 157 A CA 0.175 52.224 52.037 0.020 0.000 0.660 157 A CB -0.269 18.745 19.000 0.023 0.000 0.910 157 A HN 0.113 nan 8.150 nan 0.000 0.465 158 L N -0.207 121.032 121.223 0.027 0.000 2.145 158 L HA 0.096 4.436 4.340 -0.000 0.000 0.201 158 L C 0.273 177.160 176.870 0.028 0.000 1.075 158 L CA 0.684 55.544 54.840 0.033 0.000 0.773 158 L CB 0.063 42.147 42.059 0.041 0.000 0.936 158 L HN 0.278 nan 8.230 nan 0.000 0.451 159 V N -2.290 117.638 119.914 0.023 0.000 2.327 159 V HA 0.478 4.598 4.120 -0.000 0.000 0.272 159 V C -2.773 173.326 176.094 0.007 0.000 1.019 159 V CA -2.104 60.206 62.300 0.018 0.000 0.814 159 V CB 0.273 32.110 31.823 0.024 0.000 1.040 159 V HN -0.091 nan 8.190 nan 0.000 0.440 160 P HA 0.443 nan 4.420 nan 0.000 0.274 160 P C -0.567 176.721 177.300 -0.021 0.000 1.231 160 P CA -0.180 62.913 63.100 -0.011 0.000 0.790 160 P CB 0.869 32.561 31.700 -0.013 0.000 0.951 161 I N 1.064 121.613 120.570 -0.035 0.000 2.412 161 I HA 0.513 4.683 4.170 -0.000 0.000 0.296 161 I C 0.861 176.935 176.117 -0.072 0.000 0.987 161 I CA -0.465 60.808 61.300 -0.046 0.000 1.180 161 I CB 1.050 39.023 38.000 -0.045 0.000 1.340 161 I HN 0.367 nan 8.210 nan 0.000 0.455 162 G N 5.011 113.765 108.800 -0.077 0.000 2.416 162 G HA2 0.485 4.445 3.960 -0.000 0.000 0.329 162 G HA3 0.485 4.445 3.960 -0.000 0.000 0.329 162 G C -0.309 174.510 174.900 -0.135 0.000 1.173 162 G CA -0.856 44.177 45.100 -0.112 0.000 0.929 162 G HN 0.515 nan 8.290 nan 0.000 0.475 163 R N 0.916 121.295 120.500 -0.201 0.000 2.474 163 R HA 0.338 4.678 4.340 -0.000 0.000 0.339 163 R C 1.132 177.332 176.300 -0.166 0.000 1.033 163 R CA 1.129 57.097 56.100 -0.219 0.000 0.997 163 R CB 0.246 30.319 30.300 -0.380 0.000 0.963 163 R HN 1.096 nan 8.270 nan 0.000 0.438 164 G N 1.759 110.506 108.800 -0.089 0.000 2.154 164 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.186 164 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.186 164 G C 0.016 174.892 174.900 -0.040 0.000 1.000 164 G CA -0.360 44.711 45.100 -0.049 0.000 0.664 164 G HN 0.561 nan 8.290 nan 0.000 0.513 165 Q N -0.280 119.492 119.800 -0.045 0.000 2.180 165 Q HA 0.746 5.086 4.340 -0.000 0.000 0.241 165 Q C -0.145 175.846 176.000 -0.015 0.000 0.970 165 Q CA -0.918 54.865 55.803 -0.032 0.000 0.919 165 Q CB 0.783 29.497 28.738 -0.040 0.000 1.222 165 Q HN 0.357 nan 8.270 nan 0.000 0.482 166 R N 1.879 122.373 120.500 -0.011 0.000 2.422 166 R HA 0.286 4.626 4.340 -0.000 0.000 0.307 166 R C -1.463 174.834 176.300 -0.005 0.000 1.004 166 R CA -0.507 55.591 56.100 -0.003 0.000 0.882 166 R CB 1.549 31.842 30.300 -0.011 0.000 1.164 166 R HN 0.431 nan 8.270 nan 0.000 0.489 167 E N 2.703 122.905 120.200 0.003 0.000 2.199 167 E HA 0.247 4.597 4.350 -0.000 0.000 0.265 167 E C -1.567 175.039 176.600 0.010 0.000 0.882 167 E CA -0.932 55.470 56.400 0.004 0.000 0.759 167 E CB 1.324 31.026 29.700 0.004 0.000 1.148 167 E HN 0.303 nan 8.360 nan 0.000 0.412 168 L N 5.664 126.889 121.223 0.004 0.000 2.305 168 L HA 0.462 4.802 4.340 -0.000 0.000 0.281 168 L C -0.611 176.274 176.870 0.025 0.000 1.085 168 L CA 0.085 54.928 54.840 0.004 0.000 0.813 168 L CB 0.713 42.761 42.059 -0.018 0.000 1.157 168 L HN 0.698 nan 8.230 nan 0.000 0.436 169 I N 6.795 127.381 120.570 0.027 0.000 2.234 169 I HA 0.180 4.350 4.170 -0.000 0.000 0.287 169 I C 0.064 176.203 176.117 0.037 0.000 1.131 169 I CA -0.301 61.018 61.300 0.031 0.000 1.335 169 I CB -0.108 37.907 38.000 0.026 0.000 1.511 169 I HN 0.541 nan 8.210 nan 0.000 0.588 170 I N 3.129 123.745 120.570 0.075 0.000 2.581 170 I HA 0.749 4.918 4.170 -0.000 0.000 0.288 170 I C 0.559 176.768 176.117 0.152 0.000 1.047 170 I CA 0.716 62.093 61.300 0.129 0.000 1.374 170 I CB 1.021 39.129 38.000 0.181 0.000 1.423 170 I HN 0.479 nan 8.210 nan 0.000 0.549 171 G N 4.892 113.767 108.800 0.125 0.000 2.328 171 G HA2 0.158 4.118 3.960 -0.000 0.000 0.299 171 G HA3 0.158 4.118 3.960 -0.000 0.000 0.299 171 G C -1.577 173.316 174.900 -0.012 0.000 1.435 171 G CA -0.879 44.199 45.100 -0.037 0.000 0.865 171 G HN 0.566 nan 8.290 nan 0.000 0.601 172 D N -0.354 120.006 120.400 -0.066 0.000 2.372 172 D HA 0.306 4.946 4.640 -0.000 0.000 0.243 172 D C 1.116 177.368 176.300 -0.080 0.000 1.297 172 D CA -0.055 53.923 54.000 -0.037 0.000 0.958 172 D CB 0.495 41.270 40.800 -0.040 0.000 1.114 172 D HN 0.547 nan 8.370 nan 0.000 0.496 173 R N 0.611 121.076 120.500 -0.059 0.000 2.491 173 R HA 0.006 4.346 4.340 -0.000 0.000 0.283 173 R C -0.197 176.022 176.300 -0.135 0.000 1.072 173 R CA 0.116 56.174 56.100 -0.069 0.000 1.048 173 R CB 0.110 30.392 30.300 -0.031 0.000 0.983 173 R HN 0.369 nan 8.270 nan 0.000 0.450 174 Q N 1.706 121.412 119.800 -0.156 0.000 2.452 174 Q HA -0.167 4.173 4.340 -0.000 0.000 0.318 174 Q C -0.172 175.494 176.000 -0.555 0.000 1.386 174 Q CA 1.207 56.864 55.803 -0.243 0.000 0.872 174 Q CB -1.258 27.392 28.738 -0.146 0.000 1.151 174 Q HN 0.949 nan 8.270 nan 0.000 0.417 175 T N -4.780 109.425 114.554 -0.581 0.000 3.040 175 T HA 0.456 4.806 4.350 -0.000 0.000 0.266 175 T C 1.033 175.347 174.700 -0.643 0.000 1.005 175 T CA 0.429 61.969 62.100 -0.933 0.000 0.906 175 T CB 1.200 69.788 68.868 -0.467 0.000 1.082 175 T HN 0.905 nan 8.240 nan 0.000 0.531 176 G N 2.086 110.672 108.800 -0.358 0.000 2.141 176 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.195 176 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.195 176 G C 0.655 175.518 174.900 -0.062 0.000 1.012 176 G CA 0.159 45.201 45.100 -0.097 0.000 0.696 176 G HN 0.507 nan 8.290 nan 0.000 0.508 177 K N -0.553 119.799 120.400 -0.080 0.000 2.097 177 K HA -0.033 4.287 4.320 -0.000 0.000 0.205 177 K C 2.356 178.955 176.600 -0.001 0.000 1.050 177 K CA 1.728 57.993 56.287 -0.036 0.000 0.938 177 K CB -0.121 32.360 32.500 -0.031 0.000 0.718 177 K HN 0.353 nan 8.250 nan 0.000 0.442 178 T N 0.635 115.191 114.554 0.003 0.000 3.035 178 T HA 0.061 4.411 4.350 -0.000 0.000 0.259 178 T C 1.935 176.629 174.700 -0.010 0.000 1.078 178 T CA 0.778 62.899 62.100 0.035 0.000 1.132 178 T CB 0.082 68.985 68.868 0.058 0.000 0.900 178 T HN 0.255 nan 8.240 nan 0.000 0.480 179 A N 1.164 123.961 122.820 -0.038 0.000 1.898 179 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 179 A C 2.484 180.009 177.584 -0.098 0.000 1.181 179 A CA 1.005 52.984 52.037 -0.096 0.000 0.620 179 A CB -0.893 18.055 19.000 -0.087 0.000 0.819 179 A HN 0.333 nan 8.150 nan 0.000 0.442 180 V N -0.181 119.703 119.914 -0.049 0.000 2.358 180 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 180 V C 3.009 179.088 176.094 -0.025 0.000 1.047 180 V CA 1.883 64.162 62.300 -0.036 0.000 1.035 180 V CB -1.061 30.754 31.823 -0.013 0.000 0.658 180 V HN 0.597 nan 8.190 nan 0.000 0.452 181 A N -0.502 122.316 122.820 -0.004 0.000 1.968 181 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 181 A C 2.115 179.697 177.584 -0.003 0.000 1.169 181 A CA 1.729 53.780 52.037 0.024 0.000 0.638 181 A CB -0.417 18.633 19.000 0.083 0.000 0.812 181 A HN 0.451 nan 8.150 nan 0.000 0.446 182 L N -0.127 121.067 121.223 -0.048 0.000 2.072 182 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 182 L C 1.350 178.177 176.870 -0.072 0.000 1.079 182 L CA 2.172 56.958 54.840 -0.089 0.000 0.752 182 L CB -0.488 41.508 42.059 -0.105 0.000 0.906 182 L HN 0.260 nan 8.230 nan 0.000 0.436 183 D N -1.131 119.212 120.400 -0.095 0.000 2.351 183 D HA -0.136 4.504 4.640 -0.000 0.000 0.216 183 D C 1.908 178.193 176.300 -0.025 0.000 0.968 183 D CA 1.245 55.195 54.000 -0.084 0.000 0.899 183 D CB 0.067 40.798 40.800 -0.115 0.000 0.907 183 D HN 0.400 nan 8.370 nan 0.000 0.514 184 T N -0.188 114.360 114.554 -0.011 0.000 2.809 184 T HA -0.015 4.335 4.350 -0.000 0.000 0.260 184 T C 1.969 176.697 174.700 0.047 0.000 1.039 184 T CA 0.378 62.487 62.100 0.015 0.000 1.141 184 T CB -0.023 68.852 68.868 0.012 0.000 0.869 184 T HN 0.071 nan 8.240 nan 0.000 0.437 185 I N 1.356 121.957 120.570 0.052 0.000 2.226 185 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 185 I C 2.131 178.356 176.117 0.181 0.000 1.100 185 I CA 1.175 62.549 61.300 0.122 0.000 1.374 185 I CB -0.602 37.435 38.000 0.062 0.000 1.057 185 I HN 0.165 nan 8.210 nan 0.000 0.413 186 L N 0.040 121.312 121.223 0.082 0.000 2.201 186 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 186 L C 2.155 179.091 176.870 0.109 0.000 1.105 186 L CA 1.133 56.016 54.840 0.073 0.000 0.775 186 L CB -0.726 41.294 42.059 -0.065 0.000 0.913 186 L HN 0.316 nan 8.230 nan 0.000 0.440 187 N N -0.215 118.540 118.700 0.092 0.000 2.396 187 N HA -0.154 4.586 4.740 -0.000 0.000 0.180 187 N C 1.612 177.214 175.510 0.153 0.000 1.028 187 N CA 0.699 53.812 53.050 0.107 0.000 0.893 187 N CB 0.140 38.685 38.487 0.096 0.000 0.967 187 N HN 0.183 nan 8.380 nan 0.000 0.440 188 Q N 0.132 120.011 119.800 0.133 0.000 2.431 188 Q HA -0.008 4.332 4.340 -0.000 0.000 0.210 188 Q C 1.133 177.077 176.000 -0.093 0.000 0.958 188 Q CA 0.241 56.080 55.803 0.059 0.000 0.957 188 Q CB -0.038 28.649 28.738 -0.085 0.000 1.007 188 Q HN 0.481 nan 8.270 nan 0.000 0.511 189 K N 0.769 121.195 120.400 0.043 0.000 2.362 189 K HA -0.061 4.259 4.320 -0.000 0.000 0.200 189 K C 1.624 178.180 176.600 -0.073 0.000 1.046 189 K CA 0.461 56.772 56.287 0.041 0.000 0.952 189 K CB 0.293 32.872 32.500 0.131 0.000 0.753 189 K HN 0.115 nan 8.250 nan 0.000 0.466 190 R N -0.325 120.095 120.500 -0.133 0.000 2.070 190 R HA -0.087 4.253 4.340 -0.000 0.000 0.227 190 R C 1.878 177.951 176.300 -0.379 0.000 1.147 190 R CA 1.629 57.482 56.100 -0.411 0.000 0.924 190 R CB -0.286 29.429 30.300 -0.975 0.000 0.827 190 R HN 0.353 nan 8.270 nan 0.000 0.431 191 W N 0.779 122.000 121.300 -0.132 0.000 3.180 191 W HA 0.078 4.738 4.660 -0.000 0.000 0.254 191 W C 0.714 177.119 176.519 -0.189 0.000 1.318 191 W CA -0.092 57.175 57.345 -0.131 0.000 1.608 191 W CB -0.153 29.237 29.460 -0.117 0.000 1.124 191 W HN 0.194 nan 8.180 nan 0.000 0.694 192 N N 0.481 119.118 118.700 -0.105 0.000 2.322 192 N HA -0.046 4.694 4.740 -0.000 0.000 0.194 192 N C 0.906 176.364 175.510 -0.086 0.000 1.126 192 N CA 0.440 53.346 53.050 -0.240 0.000 0.845 192 N CB -0.071 38.008 38.487 -0.680 0.000 0.976 192 N HN 0.131 nan 8.380 nan 0.000 0.475 193 N N -0.391 118.278 118.700 -0.053 0.000 2.454 193 N HA 0.068 4.807 4.740 -0.000 0.000 0.177 193 N C 1.309 176.819 175.510 -0.001 0.000 1.049 193 N CA 0.248 53.289 53.050 -0.014 0.000 0.887 193 N CB 0.010 38.476 38.487 -0.036 0.000 1.095 193 N HN 0.112 nan 8.380 nan 0.000 0.446 194 G N -0.136 108.659 108.800 -0.009 0.000 2.529 194 G HA2 0.175 4.135 3.960 -0.000 0.000 0.234 194 G HA3 0.175 4.135 3.960 -0.000 0.000 0.234 194 G C 0.519 175.444 174.900 0.041 0.000 1.527 194 G CA 0.190 45.297 45.100 0.012 0.000 1.062 194 G HN 0.204 nan 8.290 nan 0.000 0.558 195 S N -0.854 114.877 115.700 0.052 0.000 2.787 195 S HA 0.149 4.619 4.470 -0.000 0.000 0.255 195 S C -0.076 174.569 174.600 0.075 0.000 1.051 195 S CA -0.351 57.888 58.200 0.065 0.000 1.124 195 S CB 0.486 63.717 63.200 0.052 0.000 1.104 195 S HN 0.549 nan 8.310 nan 0.000 0.623 196 D N 2.892 123.342 120.400 0.082 0.000 2.363 196 D HA 0.069 4.709 4.640 -0.000 0.000 0.263 196 D C 0.946 177.306 176.300 0.101 0.000 1.258 196 D CA 0.316 54.371 54.000 0.092 0.000 0.907 196 D CB 0.628 41.496 40.800 0.114 0.000 1.107 196 D HN 0.029 nan 8.370 nan 0.000 0.495 197 E N 1.506 121.760 120.200 0.090 0.000 2.268 197 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 197 E C 1.627 178.282 176.600 0.093 0.000 0.995 197 E CA 0.495 56.952 56.400 0.095 0.000 0.836 197 E CB 0.131 29.870 29.700 0.065 0.000 0.763 197 E HN 0.542 nan 8.360 nan 0.000 0.491 198 S N -0.371 115.394 115.700 0.108 0.000 2.528 198 S HA 0.105 4.575 4.470 -0.000 0.000 0.219 198 S C 1.569 176.280 174.600 0.184 0.000 0.985 198 S CA 0.102 58.404 58.200 0.170 0.000 0.914 198 S CB 0.274 63.558 63.200 0.140 0.000 0.776 198 S HN -0.048 nan 8.310 nan 0.000 0.526 199 K N 1.198 121.668 120.400 0.116 0.000 2.354 199 K HA 0.328 4.648 4.320 -0.000 0.000 0.194 199 K C 0.280 176.894 176.600 0.023 0.000 1.045 199 K CA 0.179 56.483 56.287 0.029 0.000 1.026 199 K CB 0.119 32.709 32.500 0.151 0.000 0.866 199 K HN 0.395 nan 8.250 nan 0.000 0.530 200 K N 1.132 121.570 120.400 0.063 0.000 2.355 200 K HA 0.124 4.444 4.320 -0.000 0.000 0.270 200 K C -0.439 176.087 176.600 -0.124 0.000 1.003 200 K CA -0.197 56.042 56.287 -0.080 0.000 0.957 200 K CB 0.477 32.895 32.500 -0.136 0.000 0.939 200 K HN -0.168 nan 8.250 nan 0.000 0.482 201 L N 3.795 124.822 121.223 -0.326 0.000 2.504 201 L HA 0.291 4.631 4.340 -0.000 0.000 0.265 201 L C -1.768 174.911 176.870 -0.320 0.000 0.975 201 L CA -0.354 54.362 54.840 -0.208 0.000 0.864 201 L CB 0.744 42.721 42.059 -0.136 0.000 1.212 201 L HN 0.443 nan 8.230 nan 0.000 0.416 202 Y N 2.976 123.272 120.300 -0.006 0.000 2.310 202 Y HA 0.562 5.112 4.550 -0.000 0.000 0.326 202 Y C 0.468 176.305 175.900 -0.105 0.000 1.151 202 Y CA -0.342 57.732 58.100 -0.043 0.000 1.195 202 Y CB 1.105 39.411 38.460 -0.257 0.000 1.210 202 Y HN 0.499 nan 8.280 nan 0.000 0.483 203 C N 2.343 121.731 119.300 0.146 0.000 2.376 203 C HA 0.707 5.167 4.460 -0.000 0.000 0.335 203 C C -0.197 174.791 174.990 -0.002 0.000 1.229 203 C CA -1.143 57.914 59.018 0.065 0.000 1.867 203 C CB 0.790 28.609 27.740 0.131 0.000 2.319 203 C HN 0.581 nan 8.230 nan 0.000 0.515 204 V N 3.002 122.896 119.914 -0.032 0.000 2.305 204 V HA 0.217 4.337 4.120 -0.000 0.000 0.275 204 V C -0.911 175.167 176.094 -0.026 0.000 1.020 204 V CA -0.401 61.869 62.300 -0.050 0.000 0.811 204 V CB 0.362 32.118 31.823 -0.112 0.000 1.031 204 V HN 0.816 nan 8.190 nan 0.000 0.439 205 Y N 5.242 125.487 120.300 -0.092 0.000 2.341 205 Y HA 0.641 5.191 4.550 -0.000 0.000 0.340 205 Y C -0.086 175.769 175.900 -0.075 0.000 0.997 205 Y CA -0.435 57.615 58.100 -0.083 0.000 1.149 205 Y CB 1.427 39.859 38.460 -0.047 0.000 1.171 205 Y HN 0.413 nan 8.280 nan 0.000 0.494 206 V N 5.283 124.797 119.914 -0.667 0.000 2.617 206 V HA 0.722 4.842 4.120 -0.000 0.000 0.298 206 V C -0.125 175.567 176.094 -0.669 0.000 1.048 206 V CA -0.541 61.464 62.300 -0.492 0.000 0.964 206 V CB 1.319 32.955 31.823 -0.312 0.000 1.004 206 V HN 0.899 nan 8.190 nan 0.000 0.466 207 A N 3.844 126.490 122.820 -0.289 0.000 2.893 207 A HA 0.674 4.994 4.320 -0.000 0.000 0.333 207 A C -0.785 176.774 177.584 -0.042 0.000 1.152 207 A CA -0.341 51.605 52.037 -0.152 0.000 0.782 207 A CB 0.643 19.643 19.000 0.001 0.000 1.108 207 A HN 0.595 nan 8.150 nan 0.000 0.469 208 V N 1.734 121.630 119.914 -0.030 0.000 2.350 208 V HA 0.580 4.700 4.120 -0.000 0.000 0.276 208 V C 1.381 177.503 176.094 0.047 0.000 1.028 208 V CA 0.939 63.257 62.300 0.029 0.000 0.860 208 V CB 0.646 32.500 31.823 0.051 0.000 0.990 208 V HN 1.683 nan 8.190 nan 0.000 0.453 209 G N 4.006 112.840 108.800 0.057 0.000 2.184 209 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.264 209 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.264 209 G C 0.267 175.199 174.900 0.053 0.000 0.975 209 G CA 0.269 45.404 45.100 0.059 0.000 0.642 209 G HN 0.628 nan 8.290 nan 0.000 0.536 210 Q N 0.425 120.257 119.800 0.052 0.000 2.394 210 Q HA 0.410 4.750 4.340 -0.000 0.000 0.248 210 Q C 0.596 176.628 176.000 0.054 0.000 0.992 210 Q CA -0.151 55.687 55.803 0.057 0.000 0.888 210 Q CB 0.700 29.481 28.738 0.072 0.000 1.257 210 Q HN 0.403 nan 8.270 nan 0.000 0.462 211 K N 1.142 121.573 120.400 0.052 0.000 2.469 211 K HA -0.094 4.226 4.320 -0.000 0.000 0.274 211 K C 0.959 177.588 176.600 0.048 0.000 0.983 211 K CA 0.224 56.538 56.287 0.046 0.000 0.974 211 K CB 0.467 32.992 32.500 0.042 0.000 0.913 211 K HN 0.483 nan 8.250 nan 0.000 0.493 212 R N 1.071 121.596 120.500 0.042 0.000 2.148 212 R HA -0.126 4.214 4.340 -0.000 0.000 0.223 212 R C 2.063 178.387 176.300 0.039 0.000 1.088 212 R CA 1.786 57.910 56.100 0.041 0.000 0.985 212 R CB 0.062 30.383 30.300 0.034 0.000 0.880 212 R HN 0.774 nan 8.270 nan 0.000 0.451 213 S N -1.413 114.309 115.700 0.036 0.000 2.414 213 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 213 S C 1.732 176.355 174.600 0.038 0.000 1.022 213 S CA 1.265 59.485 58.200 0.033 0.000 0.958 213 S CB -0.037 63.180 63.200 0.029 0.000 0.797 213 S HN 0.210 nan 8.310 nan 0.000 0.493 214 T N 2.312 116.893 114.554 0.046 0.000 2.857 214 T HA 0.069 4.419 4.350 -0.000 0.000 0.266 214 T C 1.880 176.619 174.700 0.064 0.000 1.048 214 T CA 1.156 63.289 62.100 0.054 0.000 1.139 214 T CB -0.436 68.469 68.868 0.062 0.000 0.874 214 T HN 0.288 nan 8.240 nan 0.000 0.455 215 V N 1.777 121.736 119.914 0.074 0.000 2.427 215 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 215 V C 2.906 179.035 176.094 0.059 0.000 1.051 215 V CA 1.532 63.886 62.300 0.091 0.000 1.048 215 V CB -1.217 30.664 31.823 0.097 0.000 0.666 215 V HN 0.512 nan 8.190 nan 0.000 0.456 216 A N -0.443 122.403 122.820 0.043 0.000 1.858 216 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 216 A C 2.199 179.795 177.584 0.019 0.000 1.190 216 A CA 1.905 53.959 52.037 0.028 0.000 0.617 216 A CB -0.533 18.481 19.000 0.024 0.000 0.827 216 A HN 0.596 nan 8.150 nan 0.000 0.443 217 Q N -0.735 119.079 119.800 0.023 0.000 2.112 217 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 217 Q C 2.158 178.165 176.000 0.011 0.000 0.987 217 Q CA 1.599 57.413 55.803 0.017 0.000 0.858 217 Q CB -0.385 28.368 28.738 0.025 0.000 0.905 217 Q HN 0.706 nan 8.270 nan 0.000 0.420 218 L N 0.147 121.377 121.223 0.013 0.000 2.017 218 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 218 L C 2.202 179.051 176.870 -0.035 0.000 1.073 218 L CA 1.015 55.843 54.840 -0.018 0.000 0.745 218 L CB -0.156 41.886 42.059 -0.028 0.000 0.894 218 L HN 0.057 nan 8.230 nan 0.000 0.432 219 V N -0.342 119.563 119.914 -0.014 0.000 2.490 219 V HA -0.302 3.818 4.120 -0.000 0.000 0.250 219 V C 2.416 178.497 176.094 -0.022 0.000 1.061 219 V CA 1.866 64.155 62.300 -0.019 0.000 1.064 219 V CB -0.563 31.261 31.823 0.002 0.000 0.670 219 V HN 0.569 nan 8.190 nan 0.000 0.461 220 Q N 0.369 120.160 119.800 -0.014 0.000 2.226 220 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 220 Q C 2.031 178.019 176.000 -0.021 0.000 0.975 220 Q CA 2.301 58.093 55.803 -0.018 0.000 0.866 220 Q CB -0.511 28.218 28.738 -0.015 0.000 0.915 220 Q HN 0.645 nan 8.270 nan 0.000 0.440 221 T N 0.395 114.944 114.554 -0.010 0.000 2.857 221 T HA 0.007 4.357 4.350 -0.000 0.000 0.266 221 T C 1.572 176.306 174.700 0.056 0.000 1.048 221 T CA 0.973 63.087 62.100 0.024 0.000 1.139 221 T CB -0.105 68.784 68.868 0.036 0.000 0.874 221 T HN 0.234 nan 8.240 nan 0.000 0.455 222 L N 0.749 121.969 121.223 -0.006 0.000 2.201 222 L HA -0.008 4.332 4.340 -0.000 0.000 0.212 222 L C 2.489 179.336 176.870 -0.039 0.000 1.105 222 L CA 1.187 56.004 54.840 -0.038 0.000 0.775 222 L CB -0.492 41.511 42.059 -0.094 0.000 0.913 222 L HN 0.319 nan 8.230 nan 0.000 0.440 223 E N -0.620 119.559 120.200 -0.035 0.000 2.371 223 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 223 E C 1.930 178.500 176.600 -0.051 0.000 1.012 223 E CA 0.202 56.577 56.400 -0.042 0.000 0.860 223 E CB 0.244 29.922 29.700 -0.038 0.000 0.811 223 E HN 0.488 nan 8.360 nan 0.000 0.502 224 Q N -0.195 119.567 119.800 -0.064 0.000 2.204 224 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 224 Q C 0.896 176.755 176.000 -0.235 0.000 0.946 224 Q CA 0.798 56.505 55.803 -0.160 0.000 0.859 224 Q CB 0.266 28.870 28.738 -0.224 0.000 0.946 224 Q HN 0.345 nan 8.270 nan 0.000 0.474 225 H N -0.348 118.690 119.070 -0.054 0.000 2.526 225 H HA 0.086 4.642 4.556 -0.000 0.000 0.274 225 H C -0.216 175.105 175.328 -0.011 0.000 0.999 225 H CA 0.670 56.702 56.048 -0.026 0.000 1.157 225 H CB 0.581 30.338 29.762 -0.008 0.000 1.407 225 H HN 0.327 nan 8.280 nan 0.000 0.568 226 D N -0.817 119.608 120.400 0.040 0.000 2.978 226 D HA -0.256 4.384 4.640 -0.000 0.000 0.205 226 D C 1.433 177.705 176.300 -0.047 0.000 1.093 226 D CA 0.853 54.862 54.000 0.014 0.000 1.006 226 D CB -1.211 39.620 40.800 0.052 0.000 1.116 226 D HN 0.466 nan 8.370 nan 0.000 0.419 227 A N -0.807 121.951 122.820 -0.103 0.000 2.209 227 A HA 0.035 4.354 4.320 -0.000 0.000 0.212 227 A C 2.035 179.149 177.584 -0.783 0.000 1.158 227 A CA 1.577 53.317 52.037 -0.495 0.000 0.742 227 A CB -0.376 18.512 19.000 -0.186 0.000 0.790 227 A HN 0.388 nan 8.150 nan 0.000 0.472 228 M N 1.044 120.428 119.600 -0.360 0.000 2.175 228 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 228 M C 2.016 178.179 176.300 -0.228 0.000 1.063 228 M CA 2.172 57.322 55.300 -0.251 0.000 1.119 228 M CB -0.427 32.102 32.600 -0.119 0.000 1.377 228 M HN 0.516 nan 8.290 nan 0.000 0.415 229 K N -0.224 120.068 120.400 -0.181 0.000 2.211 229 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 229 K C 0.412 177.072 176.600 0.099 0.000 1.047 229 K CA 1.830 58.111 56.287 -0.009 0.000 0.935 229 K CB -0.931 31.618 32.500 0.081 0.000 0.728 229 K HN 0.636 nan 8.250 nan 0.000 0.452 230 Y N 0.497 120.874 120.300 0.128 0.000 2.736 230 Y HA 0.462 5.012 4.550 -0.000 0.000 0.293 230 Y C -0.682 175.313 175.900 0.159 0.000 1.062 230 Y CA -1.139 57.091 58.100 0.217 0.000 1.247 230 Y CB -0.036 38.513 38.460 0.148 0.000 1.200 230 Y HN 0.099 nan 8.280 nan 0.000 0.552 231 S N 0.194 115.912 115.700 0.030 0.000 2.564 231 S HA 0.818 5.288 4.470 -0.000 0.000 0.274 231 S C -1.142 173.462 174.600 0.007 0.000 1.124 231 S CA -0.803 57.402 58.200 0.010 0.000 0.869 231 S CB 1.933 65.079 63.200 -0.090 0.000 1.105 231 S HN 0.295 nan 8.310 nan 0.000 0.472 232 I N 1.703 122.278 120.570 0.009 0.000 2.468 232 I HA 0.376 4.546 4.170 -0.000 0.000 0.285 232 I C -1.548 174.585 176.117 0.028 0.000 1.039 232 I CA -0.734 60.571 61.300 0.008 0.000 1.074 232 I CB 1.559 39.556 38.000 -0.006 0.000 1.228 232 I HN 0.509 nan 8.210 nan 0.000 0.436 233 I N 7.245 127.841 120.570 0.043 0.000 2.312 233 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 233 I C -0.070 176.071 176.117 0.041 0.000 1.008 233 I CA -0.450 60.899 61.300 0.081 0.000 1.226 233 I CB 1.458 39.530 38.000 0.120 0.000 1.371 233 I HN 0.172 nan 8.210 nan 0.000 0.468 234 V N 6.501 126.422 119.914 0.012 0.000 2.311 234 V HA 0.741 4.861 4.120 -0.000 0.000 0.275 234 V C 0.351 176.443 176.094 -0.004 0.000 1.022 234 V CA -0.527 61.773 62.300 0.001 0.000 0.830 234 V CB 0.915 32.730 31.823 -0.012 0.000 1.012 234 V HN 0.817 nan 8.190 nan 0.000 0.452 235 A N 4.133 126.967 122.820 0.023 0.000 2.337 235 A HA 0.935 5.255 4.320 -0.000 0.000 0.329 235 A C 0.105 177.714 177.584 0.042 0.000 1.146 235 A CA -0.332 51.722 52.037 0.029 0.000 0.800 235 A CB 1.565 20.596 19.000 0.050 0.000 1.220 235 A HN 1.322 nan 8.150 nan 0.000 0.472 236 A N 2.363 125.210 122.820 0.045 0.000 2.943 236 A HA 0.583 4.903 4.320 -0.000 0.000 0.327 236 A C 0.434 178.053 177.584 0.059 0.000 1.141 236 A CA 0.112 52.187 52.037 0.063 0.000 0.773 236 A CB -0.585 18.464 19.000 0.082 0.000 1.143 236 A HN 1.496 nan 8.150 nan 0.000 0.463 237 T N -1.046 113.540 114.554 0.054 0.000 2.616 237 T HA 0.347 4.697 4.350 -0.000 0.000 0.327 237 T C 1.564 176.294 174.700 0.050 0.000 1.049 237 T CA 0.256 62.386 62.100 0.050 0.000 1.022 237 T CB 0.555 69.450 68.868 0.046 0.000 1.009 237 T HN 1.220 nan 8.240 nan 0.000 0.535 238 A N 0.162 123.009 122.820 0.045 0.000 1.969 238 A HA 0.027 4.346 4.320 -0.000 0.000 0.218 238 A C 2.670 180.275 177.584 0.035 0.000 1.169 238 A CA 1.766 53.828 52.037 0.041 0.000 0.635 238 A CB -1.297 17.726 19.000 0.038 0.000 0.810 238 A HN 0.897 nan 8.150 nan 0.000 0.445 239 S N -0.213 115.506 115.700 0.033 0.000 2.423 239 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 239 S C 0.800 175.417 174.600 0.029 0.000 1.014 239 S CA 0.195 58.411 58.200 0.027 0.000 0.965 239 S CB -0.455 62.760 63.200 0.025 0.000 0.785 239 S HN 0.567 nan 8.310 nan 0.000 0.495 240 E N 1.578 121.801 120.200 0.039 0.000 2.458 240 E HA 0.209 4.559 4.350 -0.000 0.000 0.264 240 E C 0.466 177.089 176.600 0.038 0.000 1.097 240 E CA 0.365 56.794 56.400 0.048 0.000 0.973 240 E CB 0.324 30.064 29.700 0.066 0.000 0.963 240 E HN 0.468 nan 8.360 nan 0.000 0.451 241 A N 1.466 124.307 122.820 0.035 0.000 2.366 241 A HA 0.297 4.617 4.320 -0.000 0.000 0.250 241 A C 1.336 178.923 177.584 0.005 0.000 1.099 241 A CA 0.547 52.587 52.037 0.004 0.000 0.794 241 A CB 0.228 19.216 19.000 -0.019 0.000 1.056 241 A HN 0.702 nan 8.150 nan 0.000 0.499 242 A N 0.710 123.513 122.820 -0.029 0.000 1.883 242 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 242 A C -0.260 177.326 177.584 0.003 0.000 1.186 242 A CA 2.058 54.087 52.037 -0.014 0.000 0.624 242 A CB -1.779 17.186 19.000 -0.059 0.000 0.822 242 A HN 0.608 nan 8.150 nan 0.000 0.444 243 P HA -0.081 nan 4.420 nan 0.000 0.222 243 P C 1.278 178.593 177.300 0.025 0.000 1.147 243 P CA 0.705 63.688 63.100 -0.195 0.000 0.790 243 P CB -0.099 31.149 31.700 -0.754 0.000 0.780 244 L N -1.057 120.222 121.223 0.095 0.000 2.156 244 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 244 L C 2.378 179.366 176.870 0.197 0.000 1.095 244 L CA 1.404 56.388 54.840 0.239 0.000 0.770 244 L CB -0.691 41.485 42.059 0.195 0.000 0.914 244 L HN 0.022 nan 8.230 nan 0.000 0.439 245 Q N -1.411 118.488 119.800 0.165 0.000 2.269 245 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 245 Q C 1.921 178.047 176.000 0.209 0.000 0.946 245 Q CA 0.898 56.796 55.803 0.158 0.000 0.877 245 Q CB -0.023 28.794 28.738 0.131 0.000 0.963 245 Q HN 0.495 nan 8.270 nan 0.000 0.472 246 Y N 0.543 120.922 120.300 0.131 0.000 2.314 246 Y HA -0.115 4.435 4.550 -0.000 0.000 0.293 246 Y C 1.674 177.734 175.900 0.268 0.000 1.129 246 Y CA 0.817 59.027 58.100 0.182 0.000 1.201 246 Y CB 0.148 38.693 38.460 0.141 0.000 0.999 246 Y HN 0.065 nan 8.280 nan 0.000 0.541 247 L N 0.148 121.397 121.223 0.045 0.000 2.354 247 L HA 0.316 4.656 4.340 -0.000 0.000 0.212 247 L C 2.430 179.393 176.870 0.155 0.000 1.091 247 L CA 1.303 56.150 54.840 0.011 0.000 0.828 247 L CB -0.904 41.304 42.059 0.248 0.000 0.973 247 L HN 0.230 nan 8.230 nan 0.000 0.461 248 A N 0.879 123.789 122.820 0.150 0.000 1.903 248 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 248 A C -0.145 177.499 177.584 0.100 0.000 1.191 248 A CA 2.325 54.431 52.037 0.114 0.000 0.638 248 A CB -2.039 17.017 19.000 0.092 0.000 0.823 248 A HN 0.398 nan 8.150 nan 0.000 0.451 249 P HA -0.101 nan 4.420 nan 0.000 0.216 249 P C 1.090 178.426 177.300 0.059 0.000 1.153 249 P CA 1.013 64.183 63.100 0.117 0.000 0.848 249 P CB -0.197 31.509 31.700 0.011 0.000 0.787 250 F N 0.077 120.007 119.950 -0.032 0.000 2.102 250 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 250 F C 2.501 178.299 175.800 -0.003 0.000 1.105 250 F CA 2.086 60.057 58.000 -0.047 0.000 1.239 250 F CB -1.883 37.032 39.000 -0.141 0.000 0.991 250 F HN -0.015 nan 8.300 nan 0.000 0.474 251 T N -2.153 112.513 114.554 0.186 0.000 2.995 251 T HA -0.004 4.346 4.350 -0.000 0.000 0.269 251 T C 1.922 176.663 174.700 0.068 0.000 1.091 251 T CA 0.852 63.017 62.100 0.107 0.000 1.128 251 T CB -0.528 68.387 68.868 0.078 0.000 0.891 251 T HN 0.185 nan 8.240 nan 0.000 0.492 252 A N 0.833 123.682 122.820 0.047 0.000 2.123 252 A HA 0.670 4.990 4.320 -0.000 0.000 0.214 252 A C 2.563 180.138 177.584 -0.014 0.000 1.152 252 A CA 0.934 52.967 52.037 -0.008 0.000 0.728 252 A CB -0.821 18.137 19.000 -0.070 0.000 0.814 252 A HN 0.703 nan 8.150 nan 0.000 0.464 253 A N -0.638 122.201 122.820 0.031 0.000 2.072 253 A HA 0.118 4.438 4.320 -0.000 0.000 0.216 253 A C 2.224 179.855 177.584 0.079 0.000 1.156 253 A CA 1.460 53.526 52.037 0.049 0.000 0.701 253 A CB -0.366 18.671 19.000 0.061 0.000 0.816 253 A HN 0.390 nan 8.150 nan 0.000 0.458 254 S N 0.031 115.786 115.700 0.091 0.000 2.395 254 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 254 S C 1.685 176.372 174.600 0.144 0.000 1.027 254 S CA 1.003 59.270 58.200 0.112 0.000 0.965 254 S CB -0.358 62.901 63.200 0.098 0.000 0.812 254 S HN 0.574 nan 8.310 nan 0.000 0.482 255 I N 1.657 122.299 120.570 0.120 0.000 2.493 255 I HA -0.090 4.080 4.170 -0.000 0.000 0.254 255 I C 2.529 178.810 176.117 0.273 0.000 1.160 255 I CA 1.074 62.469 61.300 0.159 0.000 1.445 255 I CB -0.662 37.386 38.000 0.079 0.000 1.086 255 I HN 0.356 nan 8.210 nan 0.000 0.433 256 G N 0.245 109.150 108.800 0.175 0.000 2.464 256 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 256 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 256 G C 1.486 176.540 174.900 0.257 0.000 1.138 256 G CA 0.113 45.319 45.100 0.176 0.000 0.793 256 G HN 0.382 nan 8.290 nan 0.000 0.539 257 E N -0.783 119.549 120.200 0.220 0.000 2.274 257 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 257 E C 1.868 178.591 176.600 0.205 0.000 0.996 257 E CA 0.152 56.658 56.400 0.177 0.000 0.840 257 E CB -0.118 29.658 29.700 0.127 0.000 0.772 257 E HN 0.658 nan 8.360 nan 0.000 0.491 258 W N 0.114 121.480 121.300 0.110 0.000 2.388 258 W HA -0.140 4.520 4.660 -0.000 0.000 0.294 258 W C 1.228 177.707 176.519 -0.066 0.000 1.212 258 W CA 1.141 58.489 57.345 0.005 0.000 1.271 258 W CB -0.070 29.367 29.460 -0.037 0.000 1.126 258 W HN -0.037 nan 8.180 nan 0.000 0.535 259 F N -0.022 120.058 119.950 0.216 0.000 2.558 259 F HA 0.098 4.625 4.527 -0.000 0.000 0.298 259 F C 2.544 178.306 175.800 -0.063 0.000 1.119 259 F CA 1.317 59.354 58.000 0.062 0.000 1.451 259 F CB -0.732 38.384 39.000 0.193 0.000 1.091 259 F HN -0.165 nan 8.300 nan 0.000 0.563 260 R N 0.565 121.145 120.500 0.133 0.000 2.066 260 R HA -0.089 4.251 4.340 -0.000 0.000 0.224 260 R C 1.392 177.663 176.300 -0.048 0.000 1.122 260 R CA 1.644 57.779 56.100 0.058 0.000 0.974 260 R CB -0.232 30.117 30.300 0.081 0.000 0.871 260 R HN 0.092 nan 8.270 nan 0.000 0.435 261 D N 0.492 120.827 120.400 -0.109 0.000 2.269 261 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 261 D C 0.419 176.566 176.300 -0.254 0.000 0.963 261 D CA 0.715 54.621 54.000 -0.157 0.000 0.864 261 D CB -0.105 40.602 40.800 -0.155 0.000 0.936 261 D HN 0.209 nan 8.370 nan 0.000 0.505 262 N N 0.441 118.904 118.700 -0.395 0.000 2.279 262 N HA 0.242 4.982 4.740 -0.000 0.000 0.226 262 N C 0.891 176.209 175.510 -0.320 0.000 1.126 262 N CA 0.334 53.100 53.050 -0.472 0.000 0.846 262 N CB 0.858 38.800 38.487 -0.908 0.000 1.050 262 N HN 0.115 nan 8.380 nan 0.000 0.502 266 A N 2.371 125.327 122.820 0.225 0.000 2.337 266 A HA 0.640 4.959 4.320 -0.000 0.000 0.329 266 A C -0.869 176.731 177.584 0.026 0.000 1.146 266 A CA -0.664 51.407 52.037 0.058 0.000 0.800 266 A CB 1.326 20.324 19.000 -0.004 0.000 1.220 266 A HN 0.369 nan 8.150 nan 0.000 0.472 267 L N 3.632 124.845 121.223 -0.016 0.000 2.353 267 L HA 0.496 4.836 4.340 -0.000 0.000 0.270 267 L C -0.969 175.869 176.870 -0.053 0.000 1.003 267 L CA -0.310 54.518 54.840 -0.021 0.000 0.862 267 L CB 0.943 43.000 42.059 -0.005 0.000 1.221 267 L HN 0.674 nan 8.230 nan 0.000 0.430 268 I N 6.114 126.625 120.570 -0.098 0.000 2.315 268 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 268 I C -0.956 174.994 176.117 -0.279 0.000 1.006 268 I CA -0.381 60.787 61.300 -0.219 0.000 1.265 268 I CB 1.732 39.544 38.000 -0.313 0.000 1.387 268 I HN 0.286 nan 8.210 nan 0.000 0.475 269 V N 9.522 129.286 119.914 -0.250 0.000 2.311 269 V HA 0.228 4.348 4.120 -0.000 0.000 0.275 269 V C -0.654 175.260 176.094 -0.300 0.000 1.022 269 V CA -0.607 61.597 62.300 -0.159 0.000 0.830 269 V CB 0.699 32.568 31.823 0.075 0.000 1.012 269 V HN 0.456 nan 8.190 nan 0.000 0.452 270 Y N 3.216 123.459 120.300 -0.095 0.000 2.402 270 Y HA 0.483 5.033 4.550 -0.000 0.000 0.333 270 Y C 0.589 176.418 175.900 -0.118 0.000 1.076 270 Y CA 0.016 58.041 58.100 -0.125 0.000 1.299 270 Y CB 0.576 38.978 38.460 -0.097 0.000 1.197 270 Y HN 0.600 nan 8.280 nan 0.000 0.517 271 D N 2.830 123.208 120.400 -0.038 0.000 2.369 271 D HA 0.028 4.668 4.640 -0.000 0.000 0.212 271 D C -2.083 174.177 176.300 -0.067 0.000 1.326 271 D CA -0.507 53.463 54.000 -0.050 0.000 0.933 271 D CB 1.101 41.858 40.800 -0.071 0.000 1.516 271 D HN 0.547 nan 8.370 nan 0.000 0.557 272 D N 3.927 124.332 120.400 0.009 0.000 2.217 272 D HA 0.241 4.881 4.640 -0.000 0.000 0.243 272 D C 1.227 177.568 176.300 0.067 0.000 1.054 272 D CA -0.536 53.489 54.000 0.041 0.000 0.838 272 D CB 1.995 42.824 40.800 0.048 0.000 1.162 272 D HN 0.394 nan 8.370 nan 0.000 0.472 273 L N 2.266 123.529 121.223 0.066 0.000 2.217 273 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 273 L C 2.163 179.112 176.870 0.132 0.000 1.107 273 L CA 0.520 55.411 54.840 0.085 0.000 0.783 273 L CB -0.013 42.044 42.059 -0.004 0.000 0.919 273 L HN 0.346 nan 8.230 nan 0.000 0.442 274 S N -0.102 115.647 115.700 0.081 0.000 2.368 274 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 274 S C 1.803 176.499 174.600 0.160 0.000 1.030 274 S CA 1.180 59.444 58.200 0.107 0.000 0.999 274 S CB -0.048 63.197 63.200 0.076 0.000 0.844 274 S HN 0.381 nan 8.310 nan 0.000 0.459 275 K N 1.033 121.511 120.400 0.131 0.000 2.362 275 K HA -0.023 4.297 4.320 -0.000 0.000 0.200 275 K C 2.265 178.960 176.600 0.159 0.000 1.046 275 K CA 0.548 56.914 56.287 0.132 0.000 0.952 275 K CB -0.048 32.510 32.500 0.097 0.000 0.753 275 K HN 0.370 nan 8.250 nan 0.000 0.466 276 Q N 0.523 120.427 119.800 0.173 0.000 2.137 276 Q HA -0.047 4.293 4.340 -0.000 0.000 0.198 276 Q C 1.937 178.091 176.000 0.257 0.000 0.960 276 Q CA 0.976 56.897 55.803 0.197 0.000 0.847 276 Q CB 0.056 28.881 28.738 0.145 0.000 0.915 276 Q HN 0.310 nan 8.270 nan 0.000 0.448 277 A N -0.011 122.983 122.820 0.289 0.000 2.015 277 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 277 A C 2.080 179.965 177.584 0.502 0.000 1.163 277 A CA 1.123 53.401 52.037 0.402 0.000 0.646 277 A CB -0.294 18.937 19.000 0.385 0.000 0.806 277 A HN 0.271 nan 8.150 nan 0.000 0.448 278 V N -0.434 119.684 119.914 0.341 0.000 2.346 278 V HA -0.144 3.976 4.120 -0.000 0.000 0.244 278 V C 3.022 179.203 176.094 0.145 0.000 1.037 278 V CA 1.629 64.053 62.300 0.207 0.000 1.029 278 V CB -1.121 30.790 31.823 0.147 0.000 0.663 278 V HN 0.571 nan 8.190 nan 0.000 0.454 279 A N -0.793 122.128 122.820 0.169 0.000 1.908 279 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 279 A C 2.171 179.825 177.584 0.117 0.000 1.181 279 A CA 2.151 54.265 52.037 0.129 0.000 0.627 279 A CB -0.827 18.270 19.000 0.163 0.000 0.818 279 A HN 0.630 nan 8.150 nan 0.000 0.445 280 Y N 0.069 120.423 120.300 0.090 0.000 2.293 280 Y HA -0.145 4.405 4.550 -0.000 0.000 0.291 280 Y C 2.490 178.391 175.900 0.002 0.000 1.137 280 Y CA 1.903 60.019 58.100 0.028 0.000 1.202 280 Y CB -0.171 38.367 38.460 0.130 0.000 0.990 280 Y HN 0.308 nan 8.280 nan 0.000 0.537 281 R N 0.244 120.829 120.500 0.142 0.000 2.148 281 R HA -0.189 4.151 4.340 -0.000 0.000 0.227 281 R C 2.301 178.533 176.300 -0.113 0.000 1.103 281 R CA 1.490 57.580 56.100 -0.017 0.000 0.983 281 R CB -0.183 30.020 30.300 -0.162 0.000 0.874 281 R HN 0.546 nan 8.270 nan 0.000 0.451 282 Q N 0.582 120.324 119.800 -0.097 0.000 1.965 282 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 282 Q C 2.165 178.067 176.000 -0.165 0.000 0.981 282 Q CA 1.483 57.219 55.803 -0.112 0.000 0.834 282 Q CB -0.145 28.547 28.738 -0.076 0.000 0.900 282 Q HN 0.372 nan 8.270 nan 0.000 0.426 283 L N 1.105 122.193 121.223 -0.225 0.000 2.013 283 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 283 L C 2.894 179.583 176.870 -0.302 0.000 1.073 283 L CA 1.668 56.337 54.840 -0.285 0.000 0.753 283 L CB -0.858 40.962 42.059 -0.398 0.000 0.890 283 L HN 0.422 nan 8.230 nan 0.000 0.432 284 S N 0.270 115.732 115.700 -0.396 0.000 2.353 284 S HA -0.220 4.250 4.470 -0.000 0.000 0.222 284 S C 1.972 176.464 174.600 -0.181 0.000 1.035 284 S CA 1.265 59.271 58.200 -0.322 0.000 1.025 284 S CB -0.949 62.047 63.200 -0.342 0.000 0.902 284 S HN 0.360 nan 8.310 nan 0.000 0.440 285 L N 0.649 121.780 121.223 -0.153 0.000 2.131 285 L HA 0.047 4.387 4.340 -0.000 0.000 0.210 285 L C 2.416 179.225 176.870 -0.101 0.000 1.092 285 L CA 1.023 55.797 54.840 -0.110 0.000 0.759 285 L CB -0.506 41.490 42.059 -0.104 0.000 0.903 285 L HN 0.322 nan 8.230 nan 0.000 0.435 286 L N -0.619 120.534 121.223 -0.116 0.000 2.552 286 L HA -0.084 4.256 4.340 -0.000 0.000 0.227 286 L C 1.521 178.332 176.870 -0.098 0.000 1.146 286 L CA 0.401 55.181 54.840 -0.100 0.000 0.858 286 L CB 0.053 42.048 42.059 -0.107 0.000 0.969 286 L HN 0.297 nan 8.230 nan 0.000 0.451 287 L N -0.581 120.575 121.223 -0.112 0.000 2.857 287 L HA 0.230 4.570 4.340 -0.000 0.000 0.249 287 L C 0.444 177.270 176.870 -0.074 0.000 1.172 287 L CA -0.236 54.546 54.840 -0.097 0.000 0.980 287 L CB 0.238 42.221 42.059 -0.126 0.000 1.299 287 L HN 0.161 nan 8.230 nan 0.000 0.535 288 R N -0.032 120.428 120.500 -0.067 0.000 3.878 288 R HA -0.121 4.219 4.340 -0.000 0.000 0.330 288 R C -0.258 176.015 176.300 -0.044 0.000 1.186 288 R CA 0.361 56.431 56.100 -0.050 0.000 0.885 288 R CB -1.802 28.475 30.300 -0.038 0.000 1.377 288 R HN 0.261 nan 8.270 nan 0.000 0.523 289 R N 1.301 121.768 120.500 -0.056 0.000 2.370 289 R HA 0.184 4.524 4.340 -0.000 0.000 0.309 289 R C -2.021 174.265 176.300 -0.024 0.000 1.059 289 R CA -1.889 54.188 56.100 -0.038 0.000 0.981 289 R CB 0.106 30.375 30.300 -0.052 0.000 0.972 289 R HN -0.070 nan 8.270 nan 0.000 0.437 290 P HA 0.067 nan 4.420 nan 0.000 0.262 290 P C -2.199 175.099 177.300 -0.002 0.000 1.199 290 P CA -0.727 62.368 63.100 -0.007 0.000 0.763 290 P CB -0.007 31.694 31.700 0.001 0.000 0.790 291 P HA 0.228 nan 4.420 nan 0.000 0.272 291 P C 0.566 177.853 177.300 -0.022 0.000 1.223 291 P CA 0.033 63.119 63.100 -0.024 0.000 0.784 291 P CB 0.883 32.556 31.700 -0.045 0.000 0.923 292 G N 1.392 110.171 108.800 -0.035 0.000 3.244 292 G HA2 0.251 4.211 3.960 -0.000 0.000 0.197 292 G HA3 0.251 4.211 3.960 -0.000 0.000 0.197 292 G C -0.669 174.159 174.900 -0.119 0.000 1.531 292 G CA -0.617 44.443 45.100 -0.066 0.000 0.747 292 G HN 0.358 nan 8.290 nan 0.000 0.763 293 R N 1.242 121.584 120.500 -0.262 0.000 2.347 293 R HA 0.293 4.633 4.340 -0.000 0.000 0.304 293 R C -0.356 175.830 176.300 -0.190 0.000 1.072 293 R CA 0.185 56.106 56.100 -0.299 0.000 0.980 293 R CB 0.503 30.483 30.300 -0.533 0.000 0.986 293 R HN 0.697 nan 8.270 nan 0.000 0.448 294 E N 1.757 121.936 120.200 -0.034 0.000 2.539 294 E HA -0.340 4.010 4.350 -0.000 0.000 0.253 294 E C 0.323 176.911 176.600 -0.020 0.000 1.145 294 E CA 0.457 56.898 56.400 0.067 0.000 0.738 294 E CB -1.037 28.830 29.700 0.279 0.000 1.308 294 E HN 0.928 nan 8.360 nan 0.000 0.409 295 A N -2.180 120.600 122.820 -0.067 0.000 3.413 295 A HA -0.315 4.005 4.320 -0.000 0.000 0.268 295 A C 0.126 177.633 177.584 -0.129 0.000 1.128 295 A CA 1.790 53.761 52.037 -0.111 0.000 1.062 295 A CB -1.997 16.917 19.000 -0.144 0.000 1.121 295 A HN 0.440 nan 8.150 nan 0.000 0.895 296 Y N 1.117 121.374 120.300 -0.071 0.000 2.425 296 Y HA 0.392 4.942 4.550 -0.000 0.000 0.331 296 Y C -1.352 174.558 175.900 0.016 0.000 1.157 296 Y CA -0.995 57.110 58.100 0.007 0.000 1.372 296 Y CB 0.359 38.843 38.460 0.040 0.000 1.253 296 Y HN 0.252 nan 8.280 nan 0.000 0.536 297 P HA -0.029 nan 4.420 nan 0.000 0.269 297 P C 0.644 178.099 177.300 0.258 0.000 1.209 297 P CA 0.261 63.497 63.100 0.227 0.000 0.776 297 P CB 0.937 32.820 31.700 0.304 0.000 0.876 298 G N 2.384 111.295 108.800 0.186 0.000 2.479 298 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 298 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 298 G C 0.594 175.644 174.900 0.250 0.000 1.115 298 G CA 0.477 45.695 45.100 0.195 0.000 0.757 298 G HN 0.650 nan 8.290 nan 0.000 0.560 299 D N 0.299 120.857 120.400 0.263 0.000 2.722 299 D HA 0.125 4.765 4.640 -0.000 0.000 0.239 299 D C 1.343 177.801 176.300 0.263 0.000 1.249 299 D CA -0.426 53.740 54.000 0.278 0.000 0.830 299 D CB 0.565 41.514 40.800 0.248 0.000 1.025 299 D HN 0.127 nan 8.370 nan 0.000 0.486 300 V N -0.289 119.797 119.914 0.288 0.000 2.878 300 V HA -0.012 4.108 4.120 -0.000 0.000 0.250 300 V C 1.589 177.773 176.094 0.149 0.000 1.075 300 V CA 0.426 62.824 62.300 0.163 0.000 1.096 300 V CB -0.599 31.431 31.823 0.345 0.000 0.724 300 V HN 0.208 nan 8.190 nan 0.000 0.467 301 F N 0.260 120.277 119.950 0.111 0.000 2.186 301 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 301 F C 1.963 177.820 175.800 0.095 0.000 1.090 301 F CA 2.031 60.073 58.000 0.069 0.000 1.307 301 F CB -0.390 38.627 39.000 0.028 0.000 1.019 301 F HN 0.358 nan 8.300 nan 0.000 0.489 302 Y N 0.353 120.661 120.300 0.013 0.000 2.616 302 Y HA -0.026 4.523 4.550 -0.000 0.000 0.296 302 Y C 1.756 177.562 175.900 -0.156 0.000 1.154 302 Y CA 0.697 58.750 58.100 -0.078 0.000 1.325 302 Y CB -0.357 38.146 38.460 0.071 0.000 1.007 302 Y HN 0.244 nan 8.280 nan 0.000 0.542 303 L N -0.727 120.321 121.223 -0.291 0.000 2.131 303 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 303 L C 1.570 178.091 176.870 -0.582 0.000 1.087 303 L CA 2.016 56.590 54.840 -0.443 0.000 0.767 303 L CB -0.503 41.178 42.059 -0.628 0.000 0.917 303 L HN 0.218 nan 8.230 nan 0.000 0.441 304 H N -1.849 116.970 119.070 -0.418 0.000 2.516 304 H HA 0.114 4.670 4.556 -0.000 0.000 0.284 304 H C 2.356 177.364 175.328 -0.533 0.000 0.999 304 H CA 0.834 56.587 56.048 -0.492 0.000 1.303 304 H CB -0.015 29.485 29.762 -0.436 0.000 1.452 304 H HN 0.430 nan 8.280 nan 0.000 0.530 305 S N 1.887 117.277 115.700 -0.517 0.000 2.351 305 S HA -0.278 4.192 4.470 -0.000 0.000 0.220 305 S C 2.011 176.415 174.600 -0.327 0.000 1.035 305 S CA 1.497 59.410 58.200 -0.478 0.000 1.031 305 S CB -0.399 62.452 63.200 -0.581 0.000 0.928 305 S HN 0.609 nan 8.310 nan 0.000 0.433 306 R N 0.731 120.994 120.500 -0.395 0.000 2.339 306 R HA 0.244 4.584 4.340 -0.000 0.000 0.199 306 R C 1.971 178.120 176.300 -0.252 0.000 1.018 306 R CA 0.807 56.733 56.100 -0.291 0.000 1.036 306 R CB -0.415 29.628 30.300 -0.427 0.000 0.899 306 R HN 0.488 nan 8.270 nan 0.000 0.473 307 L N 0.025 121.013 121.223 -0.392 0.000 2.269 307 L HA 0.208 4.548 4.340 -0.000 0.000 0.200 307 L C 1.843 178.508 176.870 -0.340 0.000 1.069 307 L CA 1.007 55.530 54.840 -0.528 0.000 0.804 307 L CB 0.048 41.574 42.059 -0.888 0.000 0.987 307 L HN 0.150 nan 8.230 nan 0.000 0.468 308 L N -0.637 120.397 121.223 -0.314 0.000 2.179 308 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 308 L C 2.149 178.962 176.870 -0.095 0.000 1.096 308 L CA 0.759 55.483 54.840 -0.193 0.000 0.779 308 L CB -0.442 41.492 42.059 -0.209 0.000 0.922 308 L HN 0.283 nan 8.230 nan 0.000 0.443 309 E N 0.306 120.444 120.200 -0.104 0.000 2.472 309 E HA -0.136 4.214 4.350 -0.000 0.000 0.200 309 E C 1.916 178.501 176.600 -0.025 0.000 1.046 309 E CA 0.270 56.639 56.400 -0.052 0.000 0.871 309 E CB 0.098 29.772 29.700 -0.044 0.000 0.806 309 E HN 0.437 nan 8.360 nan 0.000 0.533 310 R N 0.439 120.921 120.500 -0.030 0.000 2.276 310 R HA 0.075 4.415 4.340 -0.000 0.000 0.203 310 R C 0.689 177.002 176.300 0.023 0.000 1.017 310 R CA 0.237 56.338 56.100 0.002 0.000 1.010 310 R CB 0.213 30.515 30.300 0.003 0.000 0.900 310 R HN -0.074 nan 8.270 nan 0.000 0.469 311 A N 1.022 123.856 122.820 0.022 0.000 2.301 311 A HA 0.701 5.021 4.320 -0.000 0.000 0.298 311 A C -0.318 177.277 177.584 0.019 0.000 1.185 311 A CA -0.243 51.814 52.037 0.033 0.000 0.830 311 A CB 0.836 19.864 19.000 0.046 0.000 1.112 311 A HN 0.265 nan 8.150 nan 0.000 0.508 315 S N -1.413 114.308 115.700 0.035 0.000 2.607 315 S HA 0.347 4.817 4.470 -0.000 0.000 0.272 315 S C 0.473 175.099 174.600 0.043 0.000 1.166 315 S CA -0.418 57.806 58.200 0.040 0.000 1.021 315 S CB 1.090 64.306 63.200 0.026 0.000 1.113 315 S HN 0.667 nan 8.310 nan 0.000 0.531 316 E N 0.120 120.341 120.200 0.036 0.000 2.140 316 E HA 0.037 4.387 4.350 -0.000 0.000 0.191 316 E C 1.857 178.466 176.600 0.015 0.000 0.973 316 E CA 0.329 56.747 56.400 0.030 0.000 0.829 316 E CB -0.103 29.609 29.700 0.021 0.000 0.781 316 E HN 0.624 nan 8.360 nan 0.000 0.466 317 K N 0.894 121.300 120.400 0.010 0.000 2.365 317 K HA -0.116 4.204 4.320 -0.000 0.000 0.199 317 K C 1.632 178.229 176.600 -0.005 0.000 1.045 317 K CA 0.811 57.099 56.287 0.001 0.000 0.962 317 K CB 0.317 32.818 32.500 0.002 0.000 0.759 317 K HN -0.020 nan 8.250 nan 0.000 0.469 318 E N -1.103 119.096 120.200 -0.003 0.000 2.170 318 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 318 E C 1.285 177.869 176.600 -0.026 0.000 0.981 318 E CA 1.222 57.614 56.400 -0.014 0.000 0.830 318 E CB 0.742 30.437 29.700 -0.009 0.000 0.775 318 E HN 0.538 nan 8.360 nan 0.000 0.470 319 G N -0.032 108.760 108.800 -0.013 0.000 2.672 319 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.197 319 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.197 319 G C 0.228 175.130 174.900 0.003 0.000 0.995 319 G CA 0.046 45.133 45.100 -0.021 0.000 0.754 319 G HN 0.150 nan 8.290 nan 0.000 0.505 323 L N 1.234 122.517 121.223 0.101 0.000 2.406 323 L HA 0.786 5.126 4.340 -0.000 0.000 0.272 323 L C -0.811 176.079 176.870 0.033 0.000 0.980 323 L CA 0.255 55.139 54.840 0.073 0.000 0.831 323 L CB 1.838 43.940 42.059 0.071 0.000 1.253 323 L HN 0.955 nan 8.230 nan 0.000 0.406 324 T N 4.017 118.580 114.554 0.015 0.000 2.829 324 T HA 0.823 5.173 4.350 -0.000 0.000 0.282 324 T C -0.296 174.407 174.700 0.005 0.000 0.990 324 T CA -0.295 61.803 62.100 -0.003 0.000 1.028 324 T CB 1.495 70.347 68.868 -0.025 0.000 0.951 324 T HN 0.794 nan 8.240 nan 0.000 0.460 325 A N 3.199 126.036 122.820 0.028 0.000 2.288 325 A HA 0.742 5.062 4.320 -0.000 0.000 0.320 325 A C -0.430 177.197 177.584 0.072 0.000 1.217 325 A CA -0.668 51.417 52.037 0.080 0.000 0.840 325 A CB 0.335 19.418 19.000 0.140 0.000 1.179 325 A HN 0.875 nan 8.150 nan 0.000 0.504 326 L N 4.544 125.816 121.223 0.083 0.000 2.495 326 L HA 0.297 4.637 4.340 -0.000 0.000 0.248 326 L C -2.568 174.378 176.870 0.127 0.000 1.229 326 L CA -1.754 53.130 54.840 0.073 0.000 0.942 326 L CB 1.810 43.892 42.059 0.038 0.000 1.242 326 L HN 0.443 nan 8.230 nan 0.000 0.484 327 P HA 0.144 nan 4.420 nan 0.000 0.275 327 P C -0.661 176.671 177.300 0.055 0.000 1.228 327 P CA -0.138 63.036 63.100 0.124 0.000 0.786 327 P CB 1.471 33.162 31.700 -0.015 0.000 0.927 328 V N 4.776 124.721 119.914 0.051 0.000 2.448 328 V HA 0.405 4.525 4.120 -0.000 0.000 0.295 328 V C -0.051 176.047 176.094 0.007 0.000 1.025 328 V CA -0.449 61.870 62.300 0.030 0.000 0.859 328 V CB 1.494 33.343 31.823 0.044 0.000 0.988 328 V HN 0.384 nan 8.190 nan 0.000 0.431 329 I N 3.752 124.322 120.570 -0.000 0.000 2.498 329 I HA 0.445 4.615 4.170 -0.000 0.000 0.290 329 I C -0.043 176.087 176.117 0.022 0.000 1.032 329 I CA -0.498 60.798 61.300 -0.007 0.000 1.073 329 I CB 2.040 40.013 38.000 -0.044 0.000 1.251 329 I HN 0.736 nan 8.210 nan 0.000 0.426 330 E N 5.073 125.290 120.200 0.029 0.000 2.055 330 E HA 0.339 4.689 4.350 -0.000 0.000 0.274 330 E C -0.369 176.261 176.600 0.050 0.000 0.949 330 E CA -0.405 56.016 56.400 0.035 0.000 0.775 330 E CB 0.922 30.641 29.700 0.031 0.000 1.097 330 E HN 0.709 nan 8.360 nan 0.000 0.404 331 T N 1.907 116.501 114.554 0.068 0.000 2.882 331 T HA 0.263 4.613 4.350 -0.000 0.000 0.287 331 T C 0.090 174.831 174.700 0.068 0.000 1.014 331 T CA -0.945 61.203 62.100 0.079 0.000 1.049 331 T CB 1.387 70.330 68.868 0.125 0.000 1.001 331 T HN 0.317 nan 8.240 nan 0.000 0.525 332 Q N 0.708 120.547 119.800 0.065 0.000 2.372 332 Q HA 0.461 4.801 4.340 -0.000 0.000 0.259 332 Q C 1.033 177.064 176.000 0.052 0.000 0.993 332 Q CA 0.139 55.974 55.803 0.053 0.000 0.854 332 Q CB 1.068 29.837 28.738 0.052 0.000 1.231 332 Q HN 1.301 nan 8.270 nan 0.000 0.462 333 G N 1.888 110.716 108.800 0.047 0.000 2.153 333 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.252 333 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.252 333 G C 0.653 175.595 174.900 0.070 0.000 0.994 333 G CA 0.575 45.702 45.100 0.044 0.000 0.698 333 G HN 1.314 nan 8.290 nan 0.000 0.521 334 G N -0.750 108.117 108.800 0.111 0.000 2.291 334 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.271 334 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.271 334 G C -0.155 174.805 174.900 0.100 0.000 1.099 334 G CA 0.789 46.005 45.100 0.194 0.000 0.919 334 G HN 1.323 nan 8.290 nan 0.000 0.496 335 D N 0.310 120.750 120.400 0.066 0.000 2.557 335 D HA 0.423 5.063 4.640 -0.000 0.000 0.236 335 D C 1.778 178.068 176.300 -0.017 0.000 1.154 335 D CA 0.122 54.132 54.000 0.016 0.000 0.985 335 D CB 0.483 41.301 40.800 0.030 0.000 1.010 335 D HN 0.543 nan 8.370 nan 0.000 0.516 336 V N 0.420 120.275 119.914 -0.099 0.000 3.217 336 V HA -0.010 4.110 4.120 -0.000 0.000 0.264 336 V C 1.660 177.689 176.094 -0.109 0.000 1.135 336 V CA 0.735 62.946 62.300 -0.149 0.000 1.142 336 V CB -0.327 31.291 31.823 -0.342 0.000 0.754 336 V HN 0.244 nan 8.190 nan 0.000 0.484 337 S N 0.861 116.514 115.700 -0.078 0.000 2.607 337 S HA 0.434 4.904 4.470 -0.000 0.000 0.224 337 S C 1.291 175.883 174.600 -0.014 0.000 0.969 337 S CA 0.471 58.641 58.200 -0.050 0.000 0.927 337 S CB -0.394 62.784 63.200 -0.036 0.000 0.772 337 S HN 0.897 nan 8.310 nan 0.000 0.533 338 A N 0.467 123.285 122.820 -0.003 0.000 2.429 338 A HA 0.258 4.578 4.320 -0.000 0.000 0.242 338 A C 0.847 178.455 177.584 0.041 0.000 1.088 338 A CA -0.100 51.962 52.037 0.042 0.000 0.784 338 A CB -0.140 18.888 19.000 0.046 0.000 1.038 338 A HN 0.397 nan 8.150 nan 0.000 0.501 339 Y N 1.218 121.492 120.300 -0.043 0.000 2.181 339 Y HA -0.186 4.364 4.550 -0.000 0.000 0.288 339 Y C 1.693 177.509 175.900 -0.140 0.000 1.146 339 Y CA 2.504 60.558 58.100 -0.076 0.000 1.164 339 Y CB -0.286 38.138 38.460 -0.061 0.000 0.982 339 Y HN 0.564 nan 8.280 nan 0.000 0.515 340 I N 0.015 120.504 120.570 -0.134 0.000 2.202 340 I HA -0.136 4.034 4.170 -0.000 0.000 0.242 340 I C -0.779 175.208 176.117 -0.217 0.000 1.091 340 I CA 0.900 62.058 61.300 -0.237 0.000 1.368 340 I CB -2.167 35.712 38.000 -0.203 0.000 1.058 340 I HN 0.090 nan 8.210 nan 0.000 0.410 341 P HA -0.169 nan 4.420 nan 0.000 0.214 341 P C 1.849 179.061 177.300 -0.147 0.000 1.163 341 P CA 2.493 65.516 63.100 -0.128 0.000 0.883 341 P CB -0.465 31.189 31.700 -0.077 0.000 0.788 342 T N -2.435 112.030 114.554 -0.147 0.000 2.685 342 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 342 T C 1.704 176.320 174.700 -0.140 0.000 1.034 342 T CA 1.750 63.763 62.100 -0.144 0.000 1.149 342 T CB -1.406 67.371 68.868 -0.152 0.000 0.860 342 T HN -0.016 nan 8.240 nan 0.000 0.449 343 N N 1.498 120.083 118.700 -0.192 0.000 2.025 343 N HA -0.075 4.665 4.740 -0.000 0.000 0.194 343 N C 2.084 177.590 175.510 -0.006 0.000 1.044 343 N CA 1.546 54.577 53.050 -0.031 0.000 0.851 343 N CB -1.026 37.415 38.487 -0.078 0.000 1.036 343 N HN 0.384 nan 8.380 nan 0.000 0.422 344 V N 1.835 121.635 119.914 -0.190 0.000 2.343 344 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 344 V C 2.315 178.334 176.094 -0.125 0.000 1.051 344 V CA 1.140 63.294 62.300 -0.242 0.000 1.036 344 V CB -0.464 31.149 31.823 -0.350 0.000 0.654 344 V HN 0.250 nan 8.190 nan 0.000 0.451 345 I N 1.279 121.791 120.570 -0.097 0.000 2.226 345 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 345 I C 2.655 178.754 176.117 -0.030 0.000 1.100 345 I CA 1.879 63.141 61.300 -0.063 0.000 1.374 345 I CB -0.466 37.492 38.000 -0.071 0.000 1.057 345 I HN 0.514 nan 8.210 nan 0.000 0.413 346 S N 0.694 116.393 115.700 -0.002 0.000 2.447 346 S HA -0.056 4.414 4.470 -0.000 0.000 0.233 346 S C 1.792 176.440 174.600 0.080 0.000 1.006 346 S CA 0.663 58.885 58.200 0.038 0.000 0.957 346 S CB -0.499 62.729 63.200 0.047 0.000 0.773 346 S HN 0.412 nan 8.310 nan 0.000 0.507 347 I N 1.916 122.523 120.570 0.062 0.000 2.368 347 I HA -0.004 4.166 4.170 -0.000 0.000 0.238 347 I C 1.406 177.510 176.117 -0.022 0.000 1.076 347 I CA 0.829 62.137 61.300 0.014 0.000 1.397 347 I CB -1.054 36.884 38.000 -0.104 0.000 1.141 347 I HN 0.350 nan 8.210 nan 0.000 0.430 348 T N 0.522 115.047 114.554 -0.048 0.000 2.940 348 T HA 0.003 4.353 4.350 -0.000 0.000 0.309 348 T C -0.044 174.643 174.700 -0.020 0.000 1.056 348 T CA -0.643 61.434 62.100 -0.039 0.000 1.137 348 T CB 0.300 69.140 68.868 -0.047 0.000 0.976 348 T HN 0.262 nan 8.240 nan 0.000 0.547 349 D N 1.299 121.691 120.400 -0.014 0.000 2.563 349 D HA 0.451 5.091 4.640 -0.000 0.000 0.222 349 D C 0.649 176.945 176.300 -0.006 0.000 1.145 349 D CA -0.490 53.505 54.000 -0.008 0.000 1.001 349 D CB -0.455 40.341 40.800 -0.006 0.000 1.049 349 D HN 1.155 nan 8.370 nan 0.000 0.515 350 G N 1.348 110.145 108.800 -0.005 0.000 2.801 350 G HA2 0.129 4.089 3.960 -0.000 0.000 0.648 350 G HA3 0.129 4.089 3.960 -0.000 0.000 0.648 350 G C -1.496 173.408 174.900 0.006 0.000 1.415 350 G CA -1.168 43.933 45.100 0.002 0.000 0.887 350 G HN 0.284 nan 8.290 nan 0.000 0.627 351 Q N 0.408 120.218 119.800 0.017 0.000 2.337 351 Q HA 0.703 5.043 4.340 -0.000 0.000 0.270 351 Q C 0.086 176.126 176.000 0.066 0.000 1.043 351 Q CA -0.638 55.186 55.803 0.034 0.000 0.794 351 Q CB 2.447 31.201 28.738 0.026 0.000 1.281 351 Q HN 0.619 nan 8.270 nan 0.000 0.446 352 I N 2.626 123.241 120.570 0.075 0.000 2.395 352 I HA 0.244 4.414 4.170 -0.000 0.000 0.282 352 I C -0.718 175.475 176.117 0.126 0.000 1.107 352 I CA -0.698 60.653 61.300 0.084 0.000 1.210 352 I CB 0.069 38.096 38.000 0.045 0.000 1.456 352 I HN 0.524 nan 8.210 nan 0.000 0.504 353 F N 6.760 126.712 119.950 0.003 0.000 2.502 353 F HA 0.285 4.812 4.527 -0.000 0.000 0.371 353 F C -0.197 175.613 175.800 0.015 0.000 1.083 353 F CA -0.317 57.685 58.000 0.003 0.000 1.174 353 F CB 0.403 39.404 39.000 0.001 0.000 1.096 353 F HN 0.232 nan 8.300 nan 0.000 0.545 354 L N 6.745 127.636 121.223 -0.554 0.000 2.270 354 L HA 0.272 4.612 4.340 -0.000 0.000 0.286 354 L C 0.221 176.599 176.870 -0.819 0.000 1.059 354 L CA -0.366 54.174 54.840 -0.499 0.000 0.839 354 L CB 0.776 42.689 42.059 -0.244 0.000 1.221 354 L HN 0.631 nan 8.230 nan 0.000 0.431 355 E N 1.662 121.438 120.200 -0.707 0.000 2.373 355 E HA 0.260 4.609 4.350 -0.000 0.000 0.263 355 E C 0.602 177.105 176.600 -0.162 0.000 1.073 355 E CA 0.162 56.274 56.400 -0.480 0.000 0.894 355 E CB 1.583 31.181 29.700 -0.170 0.000 1.008 355 E HN 0.675 nan 8.360 nan 0.000 0.420 356 A N 3.246 126.022 122.820 -0.074 0.000 2.030 356 A HA -0.058 4.261 4.320 -0.000 0.000 0.215 356 A C 1.828 179.488 177.584 0.126 0.000 1.164 356 A CA 0.930 52.983 52.037 0.027 0.000 0.697 356 A CB -0.243 18.754 19.000 -0.006 0.000 0.827 356 A HN 0.770 nan 8.150 nan 0.000 0.457 357 E N 0.472 120.721 120.200 0.082 0.000 2.110 357 E HA -0.131 4.218 4.350 -0.000 0.000 0.193 357 E C 1.680 178.369 176.600 0.148 0.000 0.988 357 E CA 1.351 57.811 56.400 0.099 0.000 0.804 357 E CB -0.326 29.412 29.700 0.064 0.000 0.745 357 E HN 0.611 nan 8.360 nan 0.000 0.458 358 L N -0.801 120.495 121.223 0.121 0.000 2.209 358 L HA 0.038 4.378 4.340 -0.000 0.000 0.207 358 L C 2.088 179.031 176.870 0.122 0.000 1.094 358 L CA 0.441 55.343 54.840 0.103 0.000 0.790 358 L CB -0.323 41.776 42.059 0.067 0.000 0.932 358 L HN 0.153 nan 8.230 nan 0.000 0.447 359 F N -0.360 119.605 119.950 0.026 0.000 2.234 359 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 359 F C 2.406 178.241 175.800 0.059 0.000 1.087 359 F CA 1.202 59.215 58.000 0.021 0.000 1.340 359 F CB -0.122 38.880 39.000 0.004 0.000 1.031 359 F HN 0.001 nan 8.300 nan 0.000 0.500 360 Y N 0.805 121.202 120.300 0.161 0.000 2.439 360 Y HA -0.070 4.480 4.550 -0.000 0.000 0.292 360 Y C 1.971 177.871 175.900 -0.000 0.000 1.130 360 Y CA 1.329 59.482 58.100 0.088 0.000 1.254 360 Y CB -0.248 38.265 38.460 0.089 0.000 1.000 360 Y HN -0.028 nan 8.280 nan 0.000 0.554 361 K N -1.235 119.183 120.400 0.031 0.000 2.017 361 K HA 0.212 4.532 4.320 -0.000 0.000 0.207 361 K C 1.597 178.114 176.600 -0.140 0.000 1.035 361 K CA 1.300 57.560 56.287 -0.046 0.000 0.947 361 K CB -0.231 32.284 32.500 0.026 0.000 0.749 361 K HN 0.291 nan 8.250 nan 0.000 0.443 362 G N -0.412 108.302 108.800 -0.143 0.000 4.258 362 G HA2 0.009 3.969 3.960 -0.000 0.000 0.208 362 G HA3 0.009 3.969 3.960 -0.000 0.000 0.208 362 G C -0.338 174.461 174.900 -0.169 0.000 0.777 362 G CA -0.594 44.397 45.100 -0.182 0.000 0.836 362 G HN 0.029 nan 8.290 nan 0.000 0.499 363 I N 3.192 123.700 120.570 -0.104 0.000 2.818 363 I HA 0.232 4.402 4.170 -0.000 0.000 0.285 363 I C 0.540 176.599 176.117 -0.096 0.000 1.160 363 I CA 0.821 62.082 61.300 -0.064 0.000 1.370 363 I CB -0.080 37.916 38.000 -0.006 0.000 1.440 363 I HN 0.036 nan 8.210 nan 0.000 0.555 364 R N 6.951 127.387 120.500 -0.106 0.000 2.483 364 R HA 0.452 4.792 4.340 -0.000 0.000 0.303 364 R C -2.628 173.649 176.300 -0.039 0.000 0.987 364 R CA -1.827 54.216 56.100 -0.095 0.000 0.881 364 R CB 1.624 31.798 30.300 -0.211 0.000 1.177 364 R HN 0.183 nan 8.270 nan 0.000 0.451 365 P HA 0.035 nan 4.420 nan 0.000 0.272 365 P C -0.579 176.749 177.300 0.046 0.000 1.223 365 P CA -0.215 62.912 63.100 0.044 0.000 0.784 365 P CB 0.804 32.521 31.700 0.029 0.000 0.923 366 A N 4.140 127.020 122.820 0.100 0.000 3.078 366 A HA 0.245 4.565 4.320 -0.000 0.000 0.279 366 A C 0.254 177.845 177.584 0.010 0.000 1.594 366 A CA -0.344 51.735 52.037 0.070 0.000 1.301 366 A CB -1.144 17.946 19.000 0.151 0.000 1.162 366 A HN 0.337 nan 8.150 nan 0.000 0.585 367 I N 1.220 121.800 120.570 0.017 0.000 2.471 367 I HA 0.019 4.189 4.170 -0.000 0.000 0.286 367 I C 0.723 176.863 176.117 0.038 0.000 1.079 367 I CA 0.015 61.325 61.300 0.016 0.000 1.398 367 I CB 0.022 38.042 38.000 0.033 0.000 1.403 367 I HN 0.606 nan 8.210 nan 0.000 0.530 368 N N 5.884 124.619 118.700 0.059 0.000 2.555 368 N HA 0.120 4.860 4.740 -0.000 0.000 0.244 368 N C 0.992 176.580 175.510 0.131 0.000 1.114 368 N CA -0.346 52.783 53.050 0.132 0.000 0.963 368 N CB 0.991 39.659 38.487 0.303 0.000 1.276 368 N HN 0.422 nan 8.380 nan 0.000 0.510 369 V N 3.292 123.262 119.914 0.093 0.000 2.453 369 V HA -0.216 3.904 4.120 -0.000 0.000 0.252 369 V C 2.408 178.546 176.094 0.072 0.000 1.068 369 V CA 2.164 64.510 62.300 0.078 0.000 1.070 369 V CB -0.870 30.996 31.823 0.071 0.000 0.664 369 V HN 0.760 nan 8.190 nan 0.000 0.461 370 G N -0.440 108.404 108.800 0.074 0.000 2.402 370 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 370 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 370 G C 1.484 176.412 174.900 0.046 0.000 1.162 370 G CA 0.651 45.782 45.100 0.052 0.000 0.777 370 G HN 0.509 nan 8.290 nan 0.000 0.539 371 L N 0.715 121.985 121.223 0.078 0.000 2.554 371 L HA 0.230 4.570 4.340 -0.000 0.000 0.225 371 L C 0.577 177.491 176.870 0.074 0.000 1.104 371 L CA -0.144 54.721 54.840 0.042 0.000 0.866 371 L CB 0.428 42.475 42.059 -0.020 0.000 1.047 371 L HN -0.006 nan 8.230 nan 0.000 0.468 372 S N 0.436 116.199 115.700 0.106 0.000 2.489 372 S HA 0.440 4.910 4.470 -0.000 0.000 0.277 372 S C -0.413 174.220 174.600 0.055 0.000 1.230 372 S CA -0.211 58.043 58.200 0.090 0.000 1.053 372 S CB 1.900 65.157 63.200 0.095 0.000 0.955 372 S HN 0.004 nan 8.310 nan 0.000 0.488 373 V N 3.527 123.466 119.914 0.041 0.000 2.739 373 V HA 0.440 4.560 4.120 -0.000 0.000 0.293 373 V C -0.595 175.511 176.094 0.020 0.000 1.199 373 V CA -0.498 61.819 62.300 0.028 0.000 0.931 373 V CB 2.013 33.849 31.823 0.021 0.000 1.052 373 V HN 0.782 nan 8.190 nan 0.000 0.441 374 S N 6.187 121.898 115.700 0.017 0.000 2.489 374 S HA 0.468 4.938 4.470 -0.000 0.000 0.277 374 S C 0.927 175.531 174.600 0.007 0.000 1.230 374 S CA -0.544 57.662 58.200 0.010 0.000 1.053 374 S CB 0.703 63.907 63.200 0.006 0.000 0.955 374 S HN 0.792 nan 8.310 nan 0.000 0.488 375 R N 2.693 123.195 120.500 0.003 0.000 2.325 375 R HA 0.096 4.436 4.340 -0.000 0.000 0.214 375 R C 0.080 176.380 176.300 0.001 0.000 0.961 375 R CA 0.261 56.363 56.100 0.003 0.000 1.086 375 R CB -0.162 30.139 30.300 0.001 0.000 1.037 375 R HN 0.535 nan 8.270 nan 0.000 0.493 376 V N -3.725 116.188 119.914 -0.001 0.000 2.554 376 V HA 0.417 4.537 4.120 -0.000 0.000 0.258 376 V C 0.797 176.890 176.094 -0.003 0.000 0.919 376 V CA -0.741 61.557 62.300 -0.002 0.000 0.910 376 V CB 0.742 32.559 31.823 -0.009 0.000 1.100 376 V HN 0.132 nan 8.190 nan 0.000 0.491 377 G N 2.283 111.085 108.800 0.003 0.000 2.798 377 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.202 377 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.202 377 G C 1.372 176.274 174.900 0.003 0.000 1.432 377 G CA 1.238 46.341 45.100 0.005 0.000 0.861 377 G HN 0.639 nan 8.290 nan 0.000 0.598 378 S N 1.288 116.993 115.700 0.007 0.000 2.387 378 S HA -0.163 4.307 4.470 -0.000 0.000 0.230 378 S C 2.689 177.293 174.600 0.007 0.000 1.035 378 S CA 1.499 59.703 58.200 0.008 0.000 1.014 378 S CB -0.597 62.609 63.200 0.010 0.000 0.836 378 S HN 0.712 nan 8.310 nan 0.000 0.466 379 A N 1.014 123.839 122.820 0.008 0.000 1.948 379 A HA 0.104 4.424 4.320 -0.000 0.000 0.220 379 A C 1.968 179.557 177.584 0.008 0.000 1.177 379 A CA 1.730 53.775 52.037 0.013 0.000 0.636 379 A CB -0.574 18.433 19.000 0.012 0.000 0.815 379 A HN 0.595 nan 8.150 nan 0.000 0.449 380 A N -1.807 121.007 122.820 -0.010 0.000 2.564 380 A HA 0.442 4.762 4.320 -0.000 0.000 0.279 380 A C 0.499 178.063 177.584 -0.035 0.000 1.232 380 A CA -0.050 51.968 52.037 -0.033 0.000 0.950 380 A CB -0.020 18.950 19.000 -0.050 0.000 1.138 380 A HN 0.544 nan 8.150 nan 0.000 0.526 381 Q N 0.281 120.070 119.800 -0.018 0.000 2.306 381 Q HA 0.554 4.894 4.340 -0.000 0.000 0.265 381 Q C -1.007 174.987 176.000 -0.010 0.000 1.022 381 Q CA -0.634 55.159 55.803 -0.016 0.000 0.853 381 Q CB 2.087 30.822 28.738 -0.005 0.000 1.327 381 Q HN 0.164 nan 8.270 nan 0.000 0.449 382 V N 4.147 124.054 119.914 -0.012 0.000 2.585 382 V HA -0.049 4.071 4.120 -0.000 0.000 0.296 382 V C 1.080 177.176 176.094 0.003 0.000 1.035 382 V CA 0.434 62.732 62.300 -0.004 0.000 1.084 382 V CB 0.695 32.519 31.823 0.001 0.000 0.953 382 V HN 0.872 nan 8.190 nan 0.000 0.483 383 K N 3.031 123.434 120.400 0.004 0.000 2.360 383 K HA -0.103 4.216 4.320 -0.000 0.000 0.201 383 K C 2.010 178.613 176.600 0.005 0.000 1.046 383 K CA 1.187 57.477 56.287 0.005 0.000 0.945 383 K CB -0.097 32.406 32.500 0.004 0.000 0.750 383 K HN 0.845 nan 8.250 nan 0.000 0.464 384 A N 1.066 123.889 122.820 0.006 0.000 1.897 384 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 384 A C 1.997 179.585 177.584 0.007 0.000 1.181 384 A CA 0.937 52.976 52.037 0.003 0.000 0.620 384 A CB -0.303 18.702 19.000 0.008 0.000 0.821 384 A HN 0.150 nan 8.150 nan 0.000 0.443 385 L N -0.671 120.560 121.223 0.013 0.000 2.240 385 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 385 L C 2.521 179.403 176.870 0.020 0.000 1.106 385 L CA 1.356 56.207 54.840 0.018 0.000 0.793 385 L CB -0.261 41.808 42.059 0.016 0.000 0.927 385 L HN 0.437 nan 8.230 nan 0.000 0.446 386 K N 0.111 120.520 120.400 0.015 0.000 2.147 386 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 386 K C 1.949 178.562 176.600 0.022 0.000 1.049 386 K CA 1.311 57.608 56.287 0.017 0.000 0.936 386 K CB 0.149 32.656 32.500 0.012 0.000 0.722 386 K HN 0.424 nan 8.250 nan 0.000 0.446 387 Q N 0.068 119.881 119.800 0.021 0.000 2.089 387 Q HA -0.080 4.260 4.340 -0.000 0.000 0.195 387 Q C 2.224 178.257 176.000 0.055 0.000 0.963 387 Q CA 1.352 57.171 55.803 0.028 0.000 0.834 387 Q CB 0.014 28.758 28.738 0.011 0.000 0.906 387 Q HN 0.291 nan 8.270 nan 0.000 0.452 388 V N -0.752 119.199 119.914 0.061 0.000 2.407 388 V HA -0.032 4.088 4.120 -0.000 0.000 0.248 388 V C 1.199 177.354 176.094 0.101 0.000 1.055 388 V CA 1.291 63.669 62.300 0.130 0.000 1.049 388 V CB -1.028 30.861 31.823 0.109 0.000 0.662 388 V HN 0.195 nan 8.190 nan 0.000 0.455 389 A N 1.409 124.263 122.820 0.057 0.000 2.774 389 A HA 0.672 4.992 4.320 -0.000 0.000 0.326 389 A C 0.758 178.359 177.584 0.027 0.000 1.478 389 A CA 0.301 52.360 52.037 0.036 0.000 1.099 389 A CB -0.625 18.393 19.000 0.031 0.000 1.148 389 A HN 0.737 nan 8.150 nan 0.000 0.519 390 G N 1.272 110.081 108.800 0.016 0.000 2.770 390 G HA2 0.427 4.387 3.960 -0.000 0.000 0.307 390 G HA3 0.427 4.387 3.960 -0.000 0.000 0.307 390 G C 0.447 175.351 174.900 0.007 0.000 0.863 390 G CA 0.322 45.428 45.100 0.010 0.000 1.595 390 G HN 1.229 nan 8.290 nan 0.000 0.496 391 S N 0.137 115.851 115.700 0.025 0.000 3.706 391 S HA -0.207 4.263 4.470 -0.000 0.000 0.363 391 S C 1.345 175.984 174.600 0.065 0.000 0.999 391 S CA 0.513 58.738 58.200 0.042 0.000 1.143 391 S CB -1.374 61.852 63.200 0.042 0.000 0.902 391 S HN 0.695 nan 8.310 nan 0.000 0.476 392 L N 0.932 122.191 121.223 0.059 0.000 2.275 392 L HA 0.089 4.429 4.340 -0.000 0.000 0.215 392 L C 2.044 178.994 176.870 0.133 0.000 1.119 392 L CA 2.122 57.016 54.840 0.090 0.000 0.790 392 L CB -0.278 41.817 42.059 0.059 0.000 0.919 392 L HN 0.467 nan 8.230 nan 0.000 0.443 393 K N -0.751 119.707 120.400 0.097 0.000 2.025 393 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 393 K C 1.953 178.612 176.600 0.098 0.000 1.049 393 K CA 1.383 57.722 56.287 0.087 0.000 0.933 393 K CB -0.105 32.432 32.500 0.062 0.000 0.714 393 K HN 0.377 nan 8.250 nan 0.000 0.438 394 L N 0.231 121.518 121.223 0.106 0.000 2.313 394 L HA -0.068 4.272 4.340 -0.000 0.000 0.214 394 L C 2.125 179.074 176.870 0.132 0.000 1.119 394 L CA 0.294 55.192 54.840 0.097 0.000 0.809 394 L CB -0.217 41.891 42.059 0.083 0.000 0.933 394 L HN 0.205 nan 8.230 nan 0.000 0.449 395 F N 0.783 120.752 119.950 0.032 0.000 2.128 395 F HA -0.126 4.401 4.527 -0.000 0.000 0.295 395 F C 2.104 177.947 175.800 0.072 0.000 1.100 395 F CA 1.343 59.367 58.000 0.039 0.000 1.260 395 F CB -0.096 38.913 39.000 0.015 0.000 1.009 395 F HN -0.149 nan 8.300 nan 0.000 0.476 396 L N 0.093 121.354 121.223 0.064 0.000 2.191 396 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 396 L C 2.655 179.529 176.870 0.006 0.000 1.103 396 L CA 0.970 55.816 54.840 0.012 0.000 0.769 396 L CB -0.986 41.136 42.059 0.104 0.000 0.908 396 L HN 0.272 nan 8.230 nan 0.000 0.438 397 A N -0.979 121.846 122.820 0.009 0.000 2.067 397 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 397 A C 2.236 179.797 177.584 -0.038 0.000 1.158 397 A CA 1.037 53.076 52.037 0.004 0.000 0.661 397 A CB -0.135 18.878 19.000 0.021 0.000 0.801 397 A HN 0.368 nan 8.150 nan 0.000 0.452 398 Q N -1.888 117.858 119.800 -0.090 0.000 2.165 398 Q HA -0.060 4.280 4.340 -0.000 0.000 0.197 398 Q C 1.918 177.823 176.000 -0.158 0.000 0.952 398 Q CA 1.349 57.080 55.803 -0.120 0.000 0.848 398 Q CB -0.577 28.082 28.738 -0.131 0.000 0.931 398 Q HN 0.837 nan 8.270 nan 0.000 0.470 399 Y N 1.719 121.788 120.300 -0.384 0.000 2.274 399 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 399 Y C 2.313 178.112 175.900 -0.169 0.000 1.145 399 Y CA 1.483 59.382 58.100 -0.335 0.000 1.203 399 Y CB 0.068 38.258 38.460 -0.449 0.000 0.984 399 Y HN -0.062 nan 8.280 nan 0.000 0.533 400 R N 0.477 120.869 120.500 -0.180 0.000 2.093 400 R HA -0.108 4.232 4.340 -0.000 0.000 0.224 400 R C 1.776 177.966 176.300 -0.182 0.000 1.101 400 R CA 1.441 57.423 56.100 -0.196 0.000 0.979 400 R CB -0.054 30.226 30.300 -0.032 0.000 0.877 400 R HN 0.587 nan 8.270 nan 0.000 0.441 401 E N -0.592 119.528 120.200 -0.133 0.000 2.482 401 E HA 0.008 4.358 4.350 -0.000 0.000 0.196 401 E C 0.096 176.626 176.600 -0.116 0.000 1.047 401 E CA 0.189 56.530 56.400 -0.098 0.000 0.869 401 E CB 0.164 29.826 29.700 -0.063 0.000 0.836 401 E HN -0.076 nan 8.360 nan 0.000 0.520 402 V N 0.920 120.731 119.914 -0.172 0.000 2.465 402 V HA 0.710 4.830 4.120 -0.000 0.000 0.279 402 V C 0.195 176.176 176.094 -0.187 0.000 1.045 402 V CA 0.071 62.275 62.300 -0.160 0.000 0.938 402 V CB 0.744 32.472 31.823 -0.159 0.000 0.986 402 V HN 0.489 nan 8.190 nan 0.000 0.467 413 D N 0.001 120.405 120.400 0.006 0.000 2.592 413 D HA 0.826 5.466 4.640 -0.000 0.000 0.259 413 D C 0.233 176.539 176.300 0.010 0.000 1.144 413 D CA 0.419 54.424 54.000 0.008 0.000 1.080 413 D CB 2.248 43.053 40.800 0.010 0.000 1.225 413 D HN 0.568 nan 8.370 nan 0.000 0.619 414 A N -0.831 121.995 122.820 0.010 0.000 2.066 414 A HA 0.136 4.456 4.320 -0.000 0.000 0.198 414 A C 1.634 179.226 177.584 0.013 0.000 1.405 414 A CA 0.987 53.029 52.037 0.009 0.000 0.973 414 A CB -0.342 18.661 19.000 0.006 0.000 1.026 414 A HN 0.405 nan 8.150 nan 0.000 0.474 415 S N -0.237 115.473 115.700 0.016 0.000 2.412 415 S HA -0.077 4.393 4.470 -0.000 0.000 0.223 415 S C 1.813 176.434 174.600 0.036 0.000 1.048 415 S CA 1.611 59.824 58.200 0.022 0.000 0.954 415 S CB -0.946 62.266 63.200 0.020 0.000 0.840 415 S HN 0.640 nan 8.310 nan 0.000 0.503 416 T N -1.219 113.358 114.554 0.038 0.000 3.081 416 T HA 0.317 4.667 4.350 -0.000 0.000 0.250 416 T C 1.444 176.180 174.700 0.060 0.000 1.100 416 T CA 0.216 62.348 62.100 0.054 0.000 1.038 416 T CB -0.102 68.789 68.868 0.039 0.000 0.962 416 T HN 0.361 nan 8.240 nan 0.000 0.516 417 K N 0.239 120.666 120.400 0.044 0.000 2.305 417 K HA 0.078 4.398 4.320 -0.000 0.000 0.199 417 K C 2.388 179.019 176.600 0.052 0.000 1.047 417 K CA 0.194 56.508 56.287 0.045 0.000 0.976 417 K CB 0.040 32.557 32.500 0.027 0.000 0.765 417 K HN 0.160 nan 8.250 nan 0.000 0.474 418 Q N 0.390 120.217 119.800 0.044 0.000 2.083 418 Q HA -0.090 4.250 4.340 -0.000 0.000 0.198 418 Q C 1.812 177.843 176.000 0.051 0.000 0.969 418 Q CA 1.992 57.815 55.803 0.033 0.000 0.838 418 Q CB -0.125 28.623 28.738 0.017 0.000 0.900 418 Q HN 0.465 nan 8.270 nan 0.000 0.436 419 T N -1.159 113.446 114.554 0.086 0.000 3.051 419 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 419 T C 1.839 176.639 174.700 0.166 0.000 1.127 419 T CA 0.665 62.852 62.100 0.145 0.000 1.107 419 T CB -0.180 68.827 68.868 0.232 0.000 0.898 419 T HN 0.114 nan 8.240 nan 0.000 0.517 420 L N 1.124 122.446 121.223 0.166 0.000 2.109 420 L HA 0.137 4.477 4.340 -0.000 0.000 0.207 420 L C 2.440 179.414 176.870 0.174 0.000 1.086 420 L CA 1.120 56.121 54.840 0.269 0.000 0.760 420 L CB -0.206 41.964 42.059 0.185 0.000 0.910 420 L HN 0.175 nan 8.230 nan 0.000 0.437 421 V N -0.734 119.226 119.914 0.078 0.000 3.041 421 V HA -0.066 4.054 4.120 -0.000 0.000 0.260 421 V C 2.552 178.632 176.094 -0.023 0.000 1.105 421 V CA 0.711 63.028 62.300 0.028 0.000 1.125 421 V CB -0.854 30.977 31.823 0.014 0.000 0.730 421 V HN 0.347 nan 8.190 nan 0.000 0.479 422 R N 1.303 121.786 120.500 -0.029 0.000 2.056 422 R HA -0.006 4.334 4.340 -0.000 0.000 0.227 422 R C 2.544 178.756 176.300 -0.146 0.000 1.149 422 R CA 1.622 57.687 56.100 -0.059 0.000 0.937 422 R CB -1.401 28.897 30.300 -0.003 0.000 0.835 422 R HN 0.494 nan 8.270 nan 0.000 0.430 423 G N 1.274 109.874 108.800 -0.334 0.000 2.479 423 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 423 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 423 G C 1.392 175.874 174.900 -0.696 0.000 1.115 423 G CA 0.644 45.230 45.100 -0.858 0.000 0.757 423 G HN 0.419 nan 8.290 nan 0.000 0.560 424 E N 0.600 120.600 120.200 -0.334 0.000 2.006 424 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 424 E C 2.404 178.977 176.600 -0.044 0.000 0.993 424 E CA 0.507 56.883 56.400 -0.039 0.000 0.808 424 E CB -0.086 29.647 29.700 0.055 0.000 0.764 424 E HN 0.353 nan 8.360 nan 0.000 0.449 425 R N 0.250 120.720 120.500 -0.050 0.000 2.339 425 R HA -0.043 4.297 4.340 -0.000 0.000 0.199 425 R C 2.018 178.292 176.300 -0.043 0.000 1.018 425 R CA -0.075 56.004 56.100 -0.035 0.000 1.036 425 R CB -0.008 30.272 30.300 -0.034 0.000 0.899 425 R HN 0.206 nan 8.270 nan 0.000 0.473 426 L N -0.100 121.079 121.223 -0.075 0.000 2.130 426 L HA 0.010 4.350 4.340 -0.000 0.000 0.200 426 L C 1.762 178.612 176.870 -0.034 0.000 1.075 426 L CA 1.871 56.674 54.840 -0.061 0.000 0.768 426 L CB -0.358 41.651 42.059 -0.084 0.000 0.933 426 L HN -0.071 nan 8.230 nan 0.000 0.451 427 T N -0.699 113.832 114.554 -0.039 0.000 2.995 427 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 427 T C 1.731 176.435 174.700 0.007 0.000 1.091 427 T CA 0.745 62.848 62.100 0.005 0.000 1.128 427 T CB -0.096 68.802 68.868 0.049 0.000 0.891 427 T HN 0.287 nan 8.240 nan 0.000 0.492 428 Q N 0.382 120.182 119.800 -0.001 0.000 2.311 428 Q HA 0.071 4.411 4.340 -0.000 0.000 0.203 428 Q C 2.061 178.060 176.000 -0.002 0.000 0.954 428 Q CA 0.641 56.443 55.803 -0.001 0.000 0.885 428 Q CB -0.195 28.543 28.738 0.000 0.000 0.963 428 Q HN 0.407 nan 8.270 nan 0.000 0.471 429 L N -0.024 121.198 121.223 -0.001 0.000 2.179 429 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 429 L C 1.807 178.678 176.870 0.002 0.000 1.096 429 L CA 1.212 56.055 54.840 0.005 0.000 0.779 429 L CB -0.219 41.843 42.059 0.005 0.000 0.922 429 L HN 0.135 nan 8.230 nan 0.000 0.443 430 L N -0.423 120.801 121.223 0.001 0.000 2.599 430 L HA -0.010 4.330 4.340 -0.000 0.000 0.230 430 L C 0.598 177.465 176.870 -0.005 0.000 1.141 430 L CA 0.095 54.936 54.840 0.002 0.000 0.877 430 L CB -0.490 41.575 42.059 0.009 0.000 1.009 430 L HN 0.086 nan 8.230 nan 0.000 0.447 431 K N 2.127 122.520 120.400 -0.011 0.000 2.166 431 K HA 0.039 4.359 4.320 -0.000 0.000 0.273 431 K C 0.054 176.639 176.600 -0.025 0.000 1.095 431 K CA 0.179 56.451 56.287 -0.025 0.000 0.985 431 K CB 0.066 32.547 32.500 -0.031 0.000 1.172 431 K HN 0.175 nan 8.250 nan 0.000 0.401 432 Q N 2.801 122.586 119.800 -0.026 0.000 2.256 432 Q HA 0.154 4.494 4.340 -0.000 0.000 0.257 432 Q C -0.537 175.442 176.000 -0.034 0.000 0.936 432 Q CA -0.865 54.924 55.803 -0.023 0.000 0.903 432 Q CB 1.001 29.729 28.738 -0.017 0.000 1.263 432 Q HN 0.402 nan 8.270 nan 0.000 0.440 433 N N 2.195 120.879 118.700 -0.026 0.000 2.381 433 N HA 0.063 4.803 4.740 -0.000 0.000 0.254 433 N C -0.685 174.798 175.510 -0.045 0.000 1.264 433 N CA -0.241 52.793 53.050 -0.027 0.000 0.942 433 N CB 0.584 39.072 38.487 0.001 0.000 1.190 433 N HN 0.600 nan 8.380 nan 0.000 0.495 434 Q N -0.167 119.590 119.800 -0.072 0.000 2.340 434 Q HA 0.068 4.408 4.340 -0.000 0.000 0.249 434 Q C -0.712 175.209 176.000 -0.131 0.000 0.957 434 Q CA -0.196 55.458 55.803 -0.248 0.000 0.882 434 Q CB 0.207 28.688 28.738 -0.428 0.000 1.235 434 Q HN 0.537 nan 8.270 nan 0.000 0.439 435 Y N 0.002 120.284 120.300 -0.031 0.000 3.477 435 Y HA -0.231 4.319 4.550 -0.000 0.000 0.216 435 Y C -0.501 175.387 175.900 -0.021 0.000 1.296 435 Y CA 0.697 58.761 58.100 -0.059 0.000 1.535 435 Y CB -2.179 36.260 38.460 -0.034 0.000 1.482 435 Y HN 0.372 nan 8.280 nan 0.000 0.597 436 S N -0.005 115.730 115.700 0.060 0.000 2.204 436 S HA 0.388 4.858 4.470 -0.000 0.000 0.147 436 S C -2.375 172.241 174.600 0.026 0.000 1.711 436 S CA -1.060 57.170 58.200 0.051 0.000 1.274 436 S CB 1.183 64.406 63.200 0.038 0.000 1.257 436 S HN -0.034 nan 8.310 nan 0.000 0.404 437 P HA 0.270 nan 4.420 nan 0.000 0.269 437 P C -0.747 176.570 177.300 0.029 0.000 1.209 437 P CA -0.147 62.971 63.100 0.031 0.000 0.776 437 P CB 0.560 32.285 31.700 0.041 0.000 0.876 438 L N 0.881 122.124 121.223 0.034 0.000 2.371 438 L HA 0.723 5.063 4.340 -0.000 0.000 0.262 438 L C 0.110 177.009 176.870 0.050 0.000 1.006 438 L CA -1.298 53.560 54.840 0.030 0.000 0.818 438 L CB 2.127 44.199 42.059 0.021 0.000 1.354 438 L HN 0.312 nan 8.230 nan 0.000 0.415 439 A N 0.430 123.275 122.820 0.042 0.000 2.302 439 A HA 0.475 4.795 4.320 -0.000 0.000 0.285 439 A C 0.977 178.602 177.584 0.069 0.000 1.105 439 A CA -0.246 51.830 52.037 0.064 0.000 0.816 439 A CB 0.759 19.779 19.000 0.033 0.000 1.067 439 A HN 0.842 nan 8.150 nan 0.000 0.489 440 T N 0.957 115.568 114.554 0.095 0.000 2.803 440 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 440 T C 1.569 176.301 174.700 0.052 0.000 1.052 440 T CA 1.855 63.998 62.100 0.072 0.000 1.136 440 T CB -0.169 68.748 68.868 0.082 0.000 0.864 440 T HN 0.851 nan 8.240 nan 0.000 0.467 441 E N 1.767 121.999 120.200 0.054 0.000 2.347 441 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 441 E C 1.470 178.098 176.600 0.047 0.000 1.008 441 E CA 0.847 57.274 56.400 0.045 0.000 0.852 441 E CB -0.250 29.477 29.700 0.044 0.000 0.783 441 E HN 0.607 nan 8.360 nan 0.000 0.505 442 E N 0.701 120.926 120.200 0.042 0.000 2.318 442 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 442 E C 1.999 178.612 176.600 0.021 0.000 0.998 442 E CA 0.383 56.807 56.400 0.040 0.000 0.859 442 E CB 0.099 29.816 29.700 0.029 0.000 0.812 442 E HN 0.364 nan 8.360 nan 0.000 0.492 443 Q N 0.486 120.299 119.800 0.022 0.000 2.204 443 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 443 Q C 2.518 178.526 176.000 0.013 0.000 0.946 443 Q CA 1.201 57.012 55.803 0.014 0.000 0.859 443 Q CB 0.031 28.781 28.738 0.021 0.000 0.946 443 Q HN 0.233 nan 8.270 nan 0.000 0.474 444 V N -1.041 118.884 119.914 0.018 0.000 2.490 444 V HA -0.113 4.007 4.120 -0.000 0.000 0.250 444 V C -0.946 175.157 176.094 0.015 0.000 1.061 444 V CA 1.058 63.368 62.300 0.017 0.000 1.064 444 V CB -1.982 29.845 31.823 0.007 0.000 0.670 444 V HN 0.169 nan 8.190 nan 0.000 0.461 445 P HA 0.047 nan 4.420 nan 0.000 0.217 445 P C 2.083 179.356 177.300 -0.045 0.000 1.154 445 P CA 1.127 64.200 63.100 -0.047 0.000 0.841 445 P CB -0.072 31.554 31.700 -0.123 0.000 0.788 446 L N -0.988 120.201 121.223 -0.058 0.000 2.046 446 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 446 L C 2.276 179.146 176.870 0.000 0.000 1.077 446 L CA 1.206 56.022 54.840 -0.040 0.000 0.747 446 L CB -0.954 41.084 42.059 -0.035 0.000 0.896 446 L HN -0.071 nan 8.230 nan 0.000 0.432 447 I N -0.956 119.627 120.570 0.022 0.000 2.226 447 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 447 I C 2.510 178.660 176.117 0.056 0.000 1.100 447 I CA 1.683 63.004 61.300 0.034 0.000 1.374 447 I CB -1.217 36.809 38.000 0.044 0.000 1.057 447 I HN 0.241 nan 8.210 nan 0.000 0.413 448 Y N 2.103 122.372 120.300 -0.052 0.000 2.224 448 Y HA -0.152 4.398 4.550 -0.000 0.000 0.289 448 Y C 2.602 178.479 175.900 -0.039 0.000 1.146 448 Y CA 1.530 59.597 58.100 -0.055 0.000 1.182 448 Y CB -0.314 38.092 38.460 -0.090 0.000 0.983 448 Y HN 0.126 nan 8.280 nan 0.000 0.524 449 A N -0.171 122.628 122.820 -0.035 0.000 2.024 449 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 449 A C 2.402 179.989 177.584 0.005 0.000 1.164 449 A CA 1.672 53.678 52.037 -0.052 0.000 0.643 449 A CB -1.534 17.444 19.000 -0.037 0.000 0.806 449 A HN 0.579 nan 8.150 nan 0.000 0.451 450 G N -0.151 108.626 108.800 -0.038 0.000 2.547 450 G HA2 0.170 4.130 3.960 -0.000 0.000 0.214 450 G HA3 0.170 4.130 3.960 -0.000 0.000 0.214 450 G C 1.074 175.901 174.900 -0.122 0.000 1.254 450 G CA 1.271 46.333 45.100 -0.062 0.000 0.817 450 G HN 1.041 nan 8.290 nan 0.000 0.551 454 H N 1.720 120.698 119.070 -0.152 0.000 2.545 454 H HA 0.285 4.841 4.556 -0.000 0.000 0.251 454 H C 1.513 176.759 175.328 -0.136 0.000 0.934 454 H CA 0.053 56.020 56.048 -0.135 0.000 1.116 454 H CB 0.661 30.342 29.762 -0.136 0.000 1.439 454 H HN 0.309 nan 8.280 nan 0.000 0.445 455 L N 2.214 123.425 121.223 -0.020 0.000 2.727 455 L HA 0.110 4.450 4.340 -0.000 0.000 0.237 455 L C -0.057 176.761 176.870 -0.088 0.000 1.370 455 L CA -0.024 54.755 54.840 -0.101 0.000 1.248 455 L CB 0.234 42.231 42.059 -0.103 0.000 1.556 455 L HN 0.311 nan 8.230 nan 0.000 0.420 456 D N 0.019 120.368 120.400 -0.085 0.000 2.379 456 D HA -0.002 4.638 4.640 -0.000 0.000 0.218 456 D C 2.133 178.393 176.300 -0.065 0.000 1.006 456 D CA 0.696 54.653 54.000 -0.071 0.000 0.893 456 D CB 0.280 41.035 40.800 -0.075 0.000 1.019 456 D HN 0.340 nan 8.370 nan 0.000 0.503 457 G N 0.805 109.560 108.800 -0.075 0.000 2.432 457 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.219 457 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.219 457 G C 0.598 175.461 174.900 -0.061 0.000 1.135 457 G CA 0.233 45.295 45.100 -0.064 0.000 0.767 457 G HN 0.162 nan 8.290 nan 0.000 0.550 458 I N 1.660 122.181 120.570 -0.081 0.000 2.618 458 I HA 0.109 4.279 4.170 -0.000 0.000 0.284 458 I C 0.490 176.584 176.117 -0.038 0.000 1.146 458 I CA -0.356 60.905 61.300 -0.066 0.000 1.425 458 I CB 0.660 38.606 38.000 -0.091 0.000 1.383 458 I HN 0.179 nan 8.210 nan 0.000 0.562 459 E N 4.273 124.459 120.200 -0.022 0.000 2.418 459 E HA 0.029 4.379 4.350 -0.000 0.000 0.261 459 E C -0.157 176.439 176.600 -0.007 0.000 1.070 459 E CA -0.605 55.788 56.400 -0.012 0.000 0.931 459 E CB 0.511 30.208 29.700 -0.006 0.000 0.954 459 E HN 0.366 nan 8.360 nan 0.000 0.439 460 L N 3.018 124.238 121.223 -0.005 0.000 2.388 460 L HA -0.028 4.312 4.340 -0.000 0.000 0.252 460 L C 0.185 177.056 176.870 0.002 0.000 1.357 460 L CA 0.878 55.717 54.840 -0.001 0.000 1.214 460 L CB -0.791 41.268 42.059 0.001 0.000 1.392 460 L HN 0.610 nan 8.230 nan 0.000 0.432 461 S N 0.101 115.804 115.700 0.005 0.000 2.221 461 S HA 0.202 4.672 4.470 -0.000 0.000 0.264 461 S C 0.962 175.570 174.600 0.015 0.000 0.971 461 S CA -0.622 57.582 58.200 0.007 0.000 1.397 461 S CB 0.029 63.232 63.200 0.006 0.000 1.050 461 S HN 0.478 nan 8.310 nan 0.000 0.507 462 R N 0.678 121.191 120.500 0.022 0.000 2.668 462 R HA 0.522 4.862 4.340 -0.000 0.000 0.435 462 R C 0.456 176.792 176.300 0.060 0.000 1.059 462 R CA -0.006 56.118 56.100 0.040 0.000 1.073 462 R CB 0.060 30.387 30.300 0.046 0.000 1.401 462 R HN 0.375 nan 8.270 nan 0.000 0.590 463 I N -0.440 120.156 120.570 0.044 0.000 2.252 463 I HA -0.110 4.060 4.170 -0.000 0.000 0.245 463 I C 2.201 178.374 176.117 0.093 0.000 1.102 463 I CA 1.633 62.967 61.300 0.058 0.000 1.385 463 I CB -0.127 37.889 38.000 0.026 0.000 1.064 463 I HN 0.302 nan 8.210 nan 0.000 0.414 464 G N -0.043 108.792 108.800 0.058 0.000 2.712 464 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.212 464 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.212 464 G C 1.458 176.388 174.900 0.049 0.000 1.142 464 G CA 0.071 45.198 45.100 0.045 0.000 0.789 464 G HN 0.227 nan 8.290 nan 0.000 0.535 465 E N 0.018 120.261 120.200 0.071 0.000 2.285 465 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 465 E C 1.700 178.365 176.600 0.109 0.000 0.997 465 E CA 0.091 56.534 56.400 0.071 0.000 0.845 465 E CB -0.103 29.640 29.700 0.070 0.000 0.782 465 E HN 0.524 nan 8.360 nan 0.000 0.491 466 F N 1.944 121.887 119.950 -0.011 0.000 2.367 466 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 466 F C 2.140 177.927 175.800 -0.022 0.000 1.094 466 F CA 0.963 58.948 58.000 -0.025 0.000 1.409 466 F CB 0.113 39.085 39.000 -0.046 0.000 1.064 466 F HN -0.060 nan 8.300 nan 0.000 0.528 467 E N -0.063 120.053 120.200 -0.140 0.000 2.204 467 E HA -0.199 4.150 4.350 -0.000 0.000 0.195 467 E C 1.862 178.352 176.600 -0.182 0.000 0.990 467 E CA 1.490 57.767 56.400 -0.205 0.000 0.821 467 E CB -0.096 29.564 29.700 -0.066 0.000 0.750 467 E HN 0.504 nan 8.360 nan 0.000 0.477 468 S N -1.344 114.282 115.700 -0.124 0.000 2.503 468 S HA 0.131 4.601 4.470 -0.000 0.000 0.215 468 S C 1.881 176.423 174.600 -0.096 0.000 1.003 468 S CA 0.172 58.322 58.200 -0.082 0.000 0.910 468 S CB 0.595 63.776 63.200 -0.032 0.000 0.790 468 S HN 0.036 nan 8.310 nan 0.000 0.514 469 S N 0.875 116.495 115.700 -0.133 0.000 2.470 469 S HA 0.272 4.742 4.470 -0.000 0.000 0.225 469 S C 1.018 175.484 174.600 -0.223 0.000 1.006 469 S CA 0.322 58.467 58.200 -0.092 0.000 0.934 469 S CB -0.354 62.875 63.200 0.048 0.000 0.778 469 S HN 0.607 nan 8.310 nan 0.000 0.517 470 F N 1.302 120.858 119.950 -0.657 0.000 2.619 470 F HA 0.275 4.802 4.527 -0.000 0.000 0.293 470 F C 1.537 177.157 175.800 -0.300 0.000 1.119 470 F CA 0.049 57.628 58.000 -0.702 0.000 1.445 470 F CB 0.005 38.299 39.000 -1.178 0.000 1.119 470 F HN 0.107 nan 8.300 nan 0.000 0.573 471 L N -0.318 120.819 121.223 -0.142 0.000 2.093 471 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 471 L C 2.196 179.001 176.870 -0.108 0.000 1.085 471 L CA 1.951 56.736 54.840 -0.093 0.000 0.755 471 L CB -0.942 41.082 42.059 -0.059 0.000 0.904 471 L HN -0.021 nan 8.230 nan 0.000 0.435 472 S N -1.723 113.925 115.700 -0.087 0.000 2.453 472 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 472 S C 1.708 176.286 174.600 -0.037 0.000 1.005 472 S CA 0.807 58.979 58.200 -0.046 0.000 0.949 472 S CB -0.493 62.702 63.200 -0.007 0.000 0.774 472 S HN 0.627 nan 8.310 nan 0.000 0.510 473 Y N 1.883 122.051 120.300 -0.219 0.000 2.439 473 Y HA 0.165 4.715 4.550 -0.000 0.000 0.292 473 Y C 1.450 177.227 175.900 -0.206 0.000 1.130 473 Y CA 0.809 58.794 58.100 -0.192 0.000 1.254 473 Y CB -0.162 38.140 38.460 -0.264 0.000 1.000 473 Y HN 0.159 nan 8.280 nan 0.000 0.554 474 L N -0.564 120.488 121.223 -0.284 0.000 2.529 474 L HA -0.030 4.310 4.340 -0.000 0.000 0.223 474 L C 2.162 178.938 176.870 -0.157 0.000 1.113 474 L CA 0.152 54.856 54.840 -0.226 0.000 0.861 474 L CB -0.279 41.685 42.059 -0.158 0.000 1.012 474 L HN -0.068 nan 8.230 nan 0.000 0.461 475 K N 0.542 120.859 120.400 -0.139 0.000 2.026 475 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 475 K C 2.124 178.659 176.600 -0.108 0.000 1.048 475 K CA 1.978 58.206 56.287 -0.099 0.000 0.929 475 K CB -0.142 32.314 32.500 -0.073 0.000 0.713 475 K HN 0.445 nan 8.250 nan 0.000 0.439 476 S N -1.185 114.431 115.700 -0.140 0.000 2.769 476 S HA 0.096 4.566 4.470 -0.000 0.000 0.258 476 S C 1.379 175.860 174.600 -0.198 0.000 1.080 476 S CA -0.324 57.795 58.200 -0.135 0.000 0.943 476 S CB -0.052 63.091 63.200 -0.094 0.000 0.893 476 S HN 0.057 nan 8.310 nan 0.000 0.490 477 N N 1.429 119.943 118.700 -0.309 0.000 2.300 477 N HA 0.144 4.884 4.740 -0.000 0.000 0.179 477 N C 0.077 175.290 175.510 -0.496 0.000 1.016 477 N CA 1.034 53.816 53.050 -0.447 0.000 0.876 477 N CB -0.171 37.870 38.487 -0.742 0.000 0.979 477 N HN 0.579 nan 8.380 nan 0.000 0.432 478 H N -1.026 117.733 119.070 -0.518 0.000 2.716 478 H HA 0.309 4.864 4.556 -0.000 0.000 0.230 478 H C 0.101 175.318 175.328 -0.185 0.000 1.401 478 H CA -0.255 55.609 56.048 -0.308 0.000 1.168 478 H CB -0.105 29.490 29.762 -0.279 0.000 1.935 478 H HN -0.041 nan 8.280 nan 0.000 0.538 479 N N 0.385 119.015 118.700 -0.116 0.000 2.550 479 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 479 N C 1.424 176.908 175.510 -0.044 0.000 1.110 479 N CA 0.649 53.655 53.050 -0.074 0.000 0.912 479 N CB 0.441 38.876 38.487 -0.086 0.000 0.968 479 N HN 0.508 nan 8.380 nan 0.000 0.448 480 E N 0.430 120.599 120.200 -0.051 0.000 2.016 480 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 480 E C 2.002 178.618 176.600 0.027 0.000 0.985 480 E CA 0.645 57.029 56.400 -0.027 0.000 0.802 480 E CB -0.508 29.154 29.700 -0.063 0.000 0.762 480 E HN 0.393 nan 8.360 nan 0.000 0.448 481 L N 0.980 122.259 121.223 0.093 0.000 2.127 481 L HA -0.177 4.162 4.340 -0.000 0.000 0.211 481 L C 2.629 179.538 176.870 0.064 0.000 1.089 481 L CA 0.696 55.597 54.840 0.101 0.000 0.757 481 L CB -0.578 41.582 42.059 0.168 0.000 0.899 481 L HN 0.091 nan 8.230 nan 0.000 0.434 482 L N -0.663 120.591 121.223 0.051 0.000 1.994 482 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 482 L C 2.598 179.480 176.870 0.019 0.000 1.071 482 L CA 1.825 56.684 54.840 0.032 0.000 0.745 482 L CB -1.088 40.978 42.059 0.011 0.000 0.892 482 L HN 0.255 nan 8.230 nan 0.000 0.431 483 T N -1.036 113.523 114.554 0.008 0.000 2.962 483 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 483 T C 1.674 176.381 174.700 0.012 0.000 1.088 483 T CA 0.980 63.083 62.100 0.003 0.000 1.127 483 T CB -0.134 68.730 68.868 -0.007 0.000 0.883 483 T HN 0.393 nan 8.240 nan 0.000 0.493 484 E N 0.891 121.100 120.200 0.017 0.000 2.047 484 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 484 E C 2.172 178.784 176.600 0.020 0.000 0.987 484 E CA 0.922 57.333 56.400 0.017 0.000 0.799 484 E CB -0.223 29.489 29.700 0.020 0.000 0.752 484 E HN 0.490 nan 8.360 nan 0.000 0.449 485 I N 0.946 121.531 120.570 0.025 0.000 2.394 485 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 485 I C 2.766 178.904 176.117 0.036 0.000 1.136 485 I CA 0.779 62.095 61.300 0.026 0.000 1.425 485 I CB -0.333 37.684 38.000 0.028 0.000 1.079 485 I HN 0.043 nan 8.210 nan 0.000 0.425 486 R N 1.228 121.751 120.500 0.038 0.000 2.073 486 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 486 R C 2.118 178.452 176.300 0.057 0.000 1.134 486 R CA 1.563 57.694 56.100 0.052 0.000 0.952 486 R CB 0.012 30.332 30.300 0.034 0.000 0.850 486 R HN 0.302 nan 8.270 nan 0.000 0.433 487 E N 0.627 120.850 120.200 0.039 0.000 2.051 487 E HA -0.096 4.254 4.350 -0.000 0.000 0.189 487 E C 2.012 178.632 176.600 0.034 0.000 0.979 487 E CA 0.984 57.406 56.400 0.037 0.000 0.803 487 E CB -0.050 29.664 29.700 0.023 0.000 0.761 487 E HN 0.366 nan 8.360 nan 0.000 0.451 488 K N -0.525 119.890 120.400 0.026 0.000 1.973 488 K HA -0.051 4.269 4.320 -0.000 0.000 0.210 488 K C 1.579 178.192 176.600 0.022 0.000 1.045 488 K CA 1.258 57.557 56.287 0.020 0.000 0.937 488 K CB -0.042 32.466 32.500 0.014 0.000 0.721 488 K HN 0.292 nan 8.250 nan 0.000 0.438 489 G N 0.762 109.577 108.800 0.025 0.000 2.254 489 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.225 489 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.225 489 G C 0.010 174.919 174.900 0.015 0.000 1.003 489 G CA 0.157 45.272 45.100 0.025 0.000 0.622 489 G HN 0.377 nan 8.290 nan 0.000 0.507 490 E N -0.563 119.642 120.200 0.009 0.000 2.285 490 E HA 0.758 5.108 4.350 -0.000 0.000 0.254 490 E C -0.469 176.128 176.600 -0.004 0.000 1.011 490 E CA -0.934 55.467 56.400 0.002 0.000 0.873 490 E CB 1.605 31.305 29.700 0.001 0.000 1.229 490 E HN 0.160 nan 8.360 nan 0.000 0.422 491 L N 1.728 122.944 121.223 -0.011 0.000 2.305 491 L HA 0.303 4.643 4.340 -0.000 0.000 0.284 491 L C -0.244 176.614 176.870 -0.021 0.000 1.013 491 L CA -0.503 54.323 54.840 -0.024 0.000 0.819 491 L CB 1.457 43.491 42.059 -0.041 0.000 1.227 491 L HN 0.555 nan 8.230 nan 0.000 0.417 492 S N 1.998 117.686 115.700 -0.020 0.000 2.690 492 S HA 0.433 4.903 4.470 -0.000 0.000 0.291 492 S C 0.791 175.381 174.600 -0.017 0.000 1.138 492 S CA -0.976 57.216 58.200 -0.014 0.000 1.013 492 S CB 2.000 65.195 63.200 -0.007 0.000 1.053 492 S HN 0.417 nan 8.310 nan 0.000 0.539 493 K N 0.817 121.210 120.400 -0.010 0.000 2.152 493 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 493 K C 1.898 178.493 176.600 -0.007 0.000 1.048 493 K CA 1.636 57.918 56.287 -0.008 0.000 0.933 493 K CB -0.495 32.004 32.500 -0.001 0.000 0.721 493 K HN 0.829 nan 8.250 nan 0.000 0.447 494 E N 0.799 120.996 120.200 -0.004 0.000 2.077 494 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 494 E C 1.714 178.313 176.600 -0.002 0.000 0.989 494 E CA 0.801 57.201 56.400 0.000 0.000 0.800 494 E CB -0.058 29.644 29.700 0.002 0.000 0.746 494 E HN 0.082 nan 8.360 nan 0.000 0.452 495 L N -0.261 120.956 121.223 -0.010 0.000 2.477 495 L HA 0.166 4.506 4.340 -0.000 0.000 0.220 495 L C 1.758 178.601 176.870 -0.046 0.000 1.106 495 L CA 0.599 55.430 54.840 -0.015 0.000 0.851 495 L CB -0.130 41.920 42.059 -0.015 0.000 0.994 495 L HN 0.249 nan 8.230 nan 0.000 0.462 496 L N -0.189 120.999 121.223 -0.058 0.000 2.027 496 L HA 0.012 4.352 4.340 -0.000 0.000 0.206 496 L C 2.454 179.271 176.870 -0.089 0.000 1.074 496 L CA 2.049 56.825 54.840 -0.106 0.000 0.745 496 L CB -0.862 41.151 42.059 -0.078 0.000 0.898 496 L HN 0.224 nan 8.230 nan 0.000 0.433 497 A N -1.901 120.900 122.820 -0.032 0.000 1.929 497 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 497 A C 2.473 180.062 177.584 0.007 0.000 1.176 497 A CA 1.582 53.618 52.037 -0.002 0.000 0.628 497 A CB -0.986 18.022 19.000 0.013 0.000 0.816 497 A HN 0.462 nan 8.150 nan 0.000 0.444 498 S N -0.919 114.787 115.700 0.009 0.000 2.507 498 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 498 S C 1.752 176.373 174.600 0.036 0.000 0.988 498 S CA 1.157 59.381 58.200 0.039 0.000 0.944 498 S CB -0.503 62.729 63.200 0.052 0.000 0.762 498 S HN 0.461 nan 8.310 nan 0.000 0.526 499 L N 1.757 122.965 121.223 -0.025 0.000 2.044 499 L HA 0.113 4.453 4.340 -0.000 0.000 0.205 499 L C 2.064 178.923 176.870 -0.018 0.000 1.075 499 L CA 1.835 56.636 54.840 -0.064 0.000 0.747 499 L CB -0.631 41.284 42.059 -0.240 0.000 0.903 499 L HN 0.133 nan 8.230 nan 0.000 0.435 500 K N -0.353 120.052 120.400 0.008 0.000 2.152 500 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 500 K C 2.144 178.788 176.600 0.073 0.000 1.048 500 K CA 1.588 57.920 56.287 0.074 0.000 0.933 500 K CB -0.384 32.183 32.500 0.112 0.000 0.721 500 K HN 0.612 nan 8.250 nan 0.000 0.447 501 S N 1.036 116.780 115.700 0.073 0.000 2.368 501 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 501 S C 2.269 176.933 174.600 0.107 0.000 1.029 501 S CA 0.827 59.078 58.200 0.086 0.000 0.988 501 S CB -0.209 63.046 63.200 0.092 0.000 0.838 501 S HN 0.287 nan 8.310 nan 0.000 0.462 502 A N 1.715 124.605 122.820 0.117 0.000 2.168 502 A HA 0.087 4.407 4.320 -0.000 0.000 0.215 502 A C 2.349 180.109 177.584 0.293 0.000 1.152 502 A CA 1.560 53.698 52.037 0.169 0.000 0.716 502 A CB -1.095 17.953 19.000 0.079 0.000 0.794 502 A HN 0.790 nan 8.150 nan 0.000 0.465 503 T N -3.478 111.172 114.554 0.160 0.000 3.010 503 T HA 0.017 4.367 4.350 -0.000 0.000 0.252 503 T C 1.487 176.271 174.700 0.141 0.000 1.047 503 T CA 0.857 63.022 62.100 0.109 0.000 1.140 503 T CB -0.114 68.712 68.868 -0.070 0.000 0.885 503 T HN 0.309 nan 8.240 nan 0.000 0.464 504 E N 2.421 122.686 120.200 0.108 0.000 2.107 504 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 504 E C 2.692 179.320 176.600 0.046 0.000 0.982 504 E CA 1.381 57.829 56.400 0.080 0.000 0.809 504 E CB -0.563 29.176 29.700 0.066 0.000 0.756 504 E HN 0.774 nan 8.360 nan 0.000 0.459 505 S N 0.568 116.281 115.700 0.022 0.000 2.407 505 S HA -0.185 4.285 4.470 -0.000 0.000 0.235 505 S C 0.866 175.281 174.600 -0.308 0.000 1.036 505 S CA 0.821 58.922 58.200 -0.165 0.000 1.013 505 S CB -0.574 62.460 63.200 -0.276 0.000 0.820 505 S HN 0.082 nan 8.310 nan 0.000 0.476 506 F N 1.129 121.067 119.950 -0.020 0.000 2.303 506 F HA 0.581 5.108 4.527 0.000 0.000 0.368 506 F C 0.684 176.414 175.800 -0.117 0.000 1.105 506 F CA -0.662 57.316 58.000 -0.037 0.000 1.153 506 F CB 1.468 40.517 39.000 0.081 0.000 1.362 506 F HN -0.101 nan 8.300 nan 0.000 0.511 507 V N 0.900 120.824 119.914 0.015 0.000 3.219 507 V HA 0.229 4.349 4.120 -0.000 0.000 0.214 507 V C 1.258 177.336 176.094 -0.028 0.000 1.433 507 V CA 0.783 63.066 62.300 -0.029 0.000 1.301 507 V CB 0.519 32.326 31.823 -0.027 0.000 1.160 507 V HN 0.592 nan 8.190 nan 0.000 0.505 508 A N -0.623 122.182 122.820 -0.025 0.000 2.508 508 A HA 0.381 4.701 4.320 -0.000 0.000 0.250 508 A C 1.048 178.625 177.584 -0.012 0.000 1.208 508 A CA 0.833 52.859 52.037 -0.018 0.000 0.960 508 A CB 0.236 19.223 19.000 -0.022 0.000 1.099 508 A HN 0.352 nan 8.150 nan 0.000 0.542 509 T N 0.000 114.541 114.554 -0.022 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 62.085 62.100 -0.025 0.000 1.349 509 T CB 0.000 68.796 68.868 -0.119 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658