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 1qid_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNCQQYVDE QFPGFSGSEM WNPNREMSED CLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE CNLNSDEELI HCLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVICP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMCVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.652 174.600 0.086 0.000 1.055 4 S CA 0.000 58.234 58.200 0.057 0.000 1.107 4 S CB 0.000 63.233 63.200 0.054 0.000 0.593 5 E N 2.537 122.791 120.200 0.090 0.000 2.204 5 E HA -0.047 4.303 4.350 -0.001 0.000 0.195 5 E C 1.021 177.748 176.600 0.211 0.000 0.990 5 E CA 1.285 57.765 56.400 0.133 0.000 0.821 5 E CB -0.085 29.680 29.700 0.108 0.000 0.750 5 E HN 0.723 nan 8.360 nan 0.000 0.477 6 L N 0.758 122.074 121.223 0.156 0.000 2.592 6 L HA 0.184 4.524 4.340 -0.001 0.000 0.227 6 L C 0.210 177.268 176.870 0.315 0.000 1.127 6 L CA -0.398 54.539 54.840 0.161 0.000 0.884 6 L CB 0.368 42.421 42.059 -0.010 0.000 1.065 6 L HN 0.122 nan 8.230 nan 0.000 0.457 7 L N 0.678 122.052 121.223 0.250 0.000 2.296 7 L HA 0.570 4.910 4.340 -0.001 0.000 0.286 7 L C -0.699 176.256 176.870 0.142 0.000 1.023 7 L CA -0.270 54.699 54.840 0.216 0.000 0.812 7 L CB 1.661 43.794 42.059 0.122 0.000 1.223 7 L HN -0.315 nan 8.230 nan 0.000 0.421 8 V N 4.344 124.314 119.914 0.092 0.000 2.638 8 V HA 0.439 4.558 4.120 -0.001 0.000 0.306 8 V C -0.696 175.305 176.094 -0.155 0.000 1.052 8 V CA -0.799 61.398 62.300 -0.170 0.000 0.885 8 V CB 1.983 33.414 31.823 -0.652 0.000 0.999 8 V HN 0.760 nan 8.190 nan 0.000 0.424 9 N N 3.159 121.711 118.700 -0.247 0.000 2.462 9 N HA 0.441 5.180 4.740 -0.001 0.000 0.242 9 N C -0.016 175.141 175.510 -0.589 0.000 1.010 9 N CA -0.083 52.790 53.050 -0.296 0.000 0.939 9 N CB 1.281 39.605 38.487 -0.273 0.000 1.127 9 N HN 0.911 nan 8.380 nan 0.000 0.509 10 T N 0.227 114.536 114.554 -0.410 0.000 2.884 10 T HA 0.349 4.699 4.350 -0.001 0.000 0.277 10 T C 1.079 175.500 174.700 -0.465 0.000 0.976 10 T CA -0.471 61.347 62.100 -0.470 0.000 0.956 10 T CB 1.029 69.896 68.868 -0.002 0.000 1.113 10 T HN 0.372 nan 8.240 nan 0.000 0.554 11 K N 0.070 120.257 120.400 -0.356 0.000 2.365 11 K HA 0.050 4.370 4.320 -0.001 0.000 0.199 11 K C 2.053 178.502 176.600 -0.252 0.000 1.045 11 K CA 0.724 56.855 56.287 -0.260 0.000 0.962 11 K CB -0.031 32.382 32.500 -0.145 0.000 0.759 11 K HN 0.418 nan 8.250 nan 0.000 0.469 12 S N -0.229 115.312 115.700 -0.265 0.000 2.517 12 S HA 0.183 4.652 4.470 -0.001 0.000 0.214 12 S C 0.507 174.382 174.600 -1.208 0.000 0.991 12 S CA 0.293 58.210 58.200 -0.471 0.000 0.906 12 S CB 0.898 64.028 63.200 -0.117 0.000 0.789 12 S HN 0.547 nan 8.310 nan 0.000 0.513 13 G N 1.049 109.335 108.800 -0.857 0.000 2.359 13 G HA2 0.105 4.065 3.960 -0.001 0.000 0.303 13 G HA3 0.105 4.065 3.960 -0.001 0.000 0.303 13 G C -1.799 173.006 174.900 -0.159 0.000 1.293 13 G CA -1.156 43.435 45.100 -0.849 0.000 0.964 13 G HN 0.110 nan 8.290 nan 0.000 0.531 14 K N -0.717 119.779 120.400 0.160 0.000 2.185 14 K HA 0.660 4.979 4.320 -0.001 0.000 0.271 14 K C -0.440 176.518 176.600 0.597 0.000 1.013 14 K CA -0.569 55.895 56.287 0.295 0.000 0.943 14 K CB 1.927 34.551 32.500 0.206 0.000 0.998 14 K HN 0.379 nan 8.250 nan 0.000 0.468 15 V N 2.685 122.881 119.914 0.470 0.000 2.789 15 V HA 0.331 4.451 4.120 -0.001 0.000 0.311 15 V C -1.051 175.333 176.094 0.484 0.000 1.073 15 V CA -0.960 61.680 62.300 0.567 0.000 0.921 15 V CB 1.831 34.048 31.823 0.657 0.000 1.009 15 V HN 0.707 nan 8.190 nan 0.000 0.426 16 M N 3.783 123.631 119.600 0.413 0.000 2.125 16 M HA 0.761 5.240 4.480 -0.001 0.000 0.321 16 M C 0.148 176.556 176.300 0.180 0.000 0.983 16 M CA -0.056 55.409 55.300 0.276 0.000 0.934 16 M CB 0.903 33.589 32.600 0.143 0.000 1.542 16 M HN 0.768 nan 8.290 nan 0.000 0.424 17 G N 1.658 110.452 108.800 -0.011 0.000 2.543 17 G HA2 0.641 4.601 3.960 -0.001 0.000 0.267 17 G HA3 0.641 4.601 3.960 -0.001 0.000 0.267 17 G C -1.037 173.662 174.900 -0.336 0.000 1.406 17 G CA -0.349 44.446 45.100 -0.509 0.000 1.048 17 G HN 0.684 nan 8.290 nan 0.000 0.548 18 T N -1.753 112.568 114.554 -0.389 0.000 2.900 18 T HA 0.523 4.872 4.350 -0.001 0.000 0.303 18 T C -0.602 173.987 174.700 -0.185 0.000 1.142 18 T CA -0.718 61.250 62.100 -0.219 0.000 1.007 18 T CB 1.515 70.281 68.868 -0.168 0.000 1.156 18 T HN 0.692 nan 8.240 nan 0.000 0.490 19 R N 2.662 123.101 120.500 -0.101 0.000 2.308 19 R HA 0.671 5.011 4.340 -0.001 0.000 0.305 19 R C -0.655 175.659 176.300 0.023 0.000 1.053 19 R CA -0.509 55.572 56.100 -0.032 0.000 0.957 19 R CB 0.535 30.811 30.300 -0.040 0.000 1.022 19 R HN 0.505 nan 8.270 nan 0.000 0.461 20 V N 2.083 122.040 119.914 0.071 0.000 2.656 20 V HA 0.679 4.799 4.120 -0.001 0.000 0.307 20 V C -2.547 173.559 176.094 0.020 0.000 1.051 20 V CA -2.680 59.652 62.300 0.053 0.000 0.893 20 V CB 1.640 33.477 31.823 0.023 0.000 0.999 20 V HN 0.831 nan 8.190 nan 0.000 0.426 21 P HA 0.422 nan 4.420 nan 0.000 0.278 21 P C -0.892 176.210 177.300 -0.330 0.000 1.238 21 P CA -0.153 62.709 63.100 -0.398 0.000 0.794 21 P CB 2.057 33.581 31.700 -0.293 0.000 0.955 22 V N 5.461 125.108 119.914 -0.444 0.000 2.697 22 V HA 0.145 4.265 4.120 -0.001 0.000 0.296 22 V C 0.072 175.913 176.094 -0.422 0.000 1.140 22 V CA -0.799 61.270 62.300 -0.385 0.000 0.921 22 V CB 0.749 32.294 31.823 -0.462 0.000 1.036 22 V HN 0.508 nan 8.190 nan 0.000 0.438 23 L N 6.274 127.404 121.223 -0.156 0.000 3.833 23 L HA -0.233 4.106 4.340 -0.001 0.000 0.447 23 L C 1.076 177.869 176.870 -0.129 0.000 1.213 23 L CA 1.181 55.973 54.840 -0.080 0.000 0.801 23 L CB -1.842 40.249 42.059 0.052 0.000 1.676 23 L HN 1.754 nan 8.230 nan 0.000 0.883 24 S N -3.849 111.750 115.700 -0.169 0.000 3.228 24 S HA -0.235 4.234 4.470 -0.001 0.000 0.282 24 S C 0.240 174.735 174.600 -0.176 0.000 1.286 24 S CA 1.357 59.475 58.200 -0.137 0.000 1.066 24 S CB -1.183 61.991 63.200 -0.043 0.000 1.277 24 S HN 1.017 nan 8.310 nan 0.000 0.661 25 S N -0.492 114.997 115.700 -0.352 0.000 2.971 25 S HA 0.890 5.360 4.470 -0.001 0.000 0.320 25 S C -1.055 173.213 174.600 -0.553 0.000 1.111 25 S CA -0.232 57.795 58.200 -0.288 0.000 0.870 25 S CB 1.253 64.306 63.200 -0.244 0.000 1.331 25 S HN 0.733 nan 8.310 nan 0.000 0.635 26 H N -0.537 118.436 119.070 -0.161 0.000 3.016 26 H HA 0.735 5.291 4.556 -0.001 0.000 0.362 26 H C -0.615 174.701 175.328 -0.020 0.000 1.233 26 H CA -0.323 55.664 56.048 -0.101 0.000 1.124 26 H CB 1.468 31.206 29.762 -0.041 0.000 1.850 26 H HN 0.739 nan 8.280 nan 0.000 0.549 27 I N -2.349 118.308 120.570 0.144 0.000 3.279 27 I HA 0.705 4.875 4.170 -0.001 0.000 0.315 27 I C -1.089 175.120 176.117 0.153 0.000 1.225 27 I CA -0.988 60.420 61.300 0.181 0.000 0.947 27 I CB 2.496 40.629 38.000 0.222 0.000 1.293 27 I HN 0.394 nan 8.210 nan 0.000 0.468 28 S N 1.344 117.148 115.700 0.173 0.000 2.578 28 S HA 0.845 5.315 4.470 -0.001 0.000 0.283 28 S C -0.304 174.308 174.600 0.021 0.000 1.195 28 S CA -0.496 57.738 58.200 0.056 0.000 1.050 28 S CB 1.534 64.821 63.200 0.145 0.000 1.012 28 S HN 0.873 nan 8.310 nan 0.000 0.511 29 A N 2.003 124.657 122.820 -0.277 0.000 2.374 29 A HA 0.781 5.101 4.320 -0.001 0.000 0.305 29 A C -1.421 175.815 177.584 -0.581 0.000 1.053 29 A CA -0.619 51.200 52.037 -0.364 0.000 0.726 29 A CB 0.514 19.324 19.000 -0.316 0.000 1.229 29 A HN 0.655 nan 8.150 nan 0.000 0.431 30 F N 2.930 122.752 119.950 -0.212 0.000 2.434 30 F HA 0.456 4.982 4.527 -0.001 0.000 0.367 30 F C -0.139 175.548 175.800 -0.187 0.000 1.093 30 F CA -0.338 57.619 58.000 -0.071 0.000 1.085 30 F CB 1.221 40.277 39.000 0.094 0.000 1.322 30 F HN 0.370 nan 8.300 nan 0.000 0.452 31 L N 1.922 123.102 121.223 -0.072 0.000 2.334 31 L HA 0.689 5.029 4.340 -0.001 0.000 0.275 31 L C 1.050 177.959 176.870 0.065 0.000 1.036 31 L CA -1.012 53.783 54.840 -0.075 0.000 0.807 31 L CB 1.451 43.390 42.059 -0.199 0.000 1.231 31 L HN 0.808 nan 8.230 nan 0.000 0.438 32 G N 2.823 111.681 108.800 0.096 0.000 2.295 32 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.287 32 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.287 32 G C -0.115 174.884 174.900 0.165 0.000 1.055 32 G CA -0.245 44.910 45.100 0.092 0.000 0.922 32 G HN 0.475 nan 8.290 nan 0.000 0.503 33 I N 2.176 122.770 120.570 0.039 0.000 2.396 33 I HA 0.228 4.397 4.170 -0.001 0.000 0.289 33 I C -1.378 174.544 176.117 -0.325 0.000 1.056 33 I CA -2.132 59.014 61.300 -0.256 0.000 1.365 33 I CB 1.194 39.029 38.000 -0.276 0.000 1.407 33 I HN 0.007 nan 8.210 nan 0.000 0.509 34 P HA 0.062 nan 4.420 nan 0.000 0.280 34 P C -0.324 176.591 177.300 -0.642 0.000 1.244 34 P CA -0.039 62.565 63.100 -0.828 0.000 0.784 34 P CB 0.708 31.832 31.700 -0.960 0.000 0.913 35 F N 0.975 120.576 119.950 -0.582 0.000 2.746 35 F HA 0.730 5.256 4.527 -0.001 0.000 0.320 35 F C -0.006 175.668 175.800 -0.210 0.000 1.097 35 F CA -0.933 56.789 58.000 -0.462 0.000 1.195 35 F CB 0.040 38.763 39.000 -0.462 0.000 1.056 35 F HN 0.353 nan 8.300 nan 0.000 0.562 36 A N -0.002 122.496 122.820 -0.537 0.000 2.594 36 A HA 0.624 4.944 4.320 -0.001 0.000 0.291 36 A C -0.892 176.506 177.584 -0.309 0.000 1.105 36 A CA -0.756 51.107 52.037 -0.290 0.000 0.694 36 A CB 1.077 19.902 19.000 -0.293 0.000 1.291 36 A HN 0.044 nan 8.150 nan 0.000 0.410 37 E N 0.839 120.948 120.200 -0.153 0.000 2.383 37 E HA 0.290 4.639 4.350 -0.001 0.000 0.264 37 E C -2.356 174.147 176.600 -0.163 0.000 1.050 37 E CA -1.484 54.845 56.400 -0.120 0.000 0.896 37 E CB 0.231 29.905 29.700 -0.044 0.000 0.982 37 E HN 0.224 nan 8.360 nan 0.000 0.424 38 P HA 0.013 nan 4.420 nan 0.000 0.261 38 P C -2.209 175.031 177.300 -0.100 0.000 1.203 38 P CA -0.685 62.337 63.100 -0.130 0.000 0.767 38 P CB -0.008 31.654 31.700 -0.064 0.000 0.785 39 P HA -0.008 nan 4.420 nan 0.000 0.231 39 P C -0.331 176.910 177.300 -0.098 0.000 1.756 39 P CA 0.238 63.285 63.100 -0.089 0.000 0.990 39 P CB -0.116 31.534 31.700 -0.083 0.000 1.973 40 V N -2.146 117.718 119.914 -0.084 0.000 3.019 40 V HA 0.903 5.023 4.120 -0.001 0.000 0.317 40 V C 0.879 176.928 176.094 -0.076 0.000 1.094 40 V CA 0.060 62.308 62.300 -0.087 0.000 1.000 40 V CB 0.927 32.708 31.823 -0.070 0.000 1.060 40 V HN 0.569 nan 8.190 nan 0.000 0.443 41 G N 2.343 111.095 108.800 -0.080 0.000 2.591 41 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.298 41 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.298 41 G C 0.525 175.381 174.900 -0.074 0.000 1.195 41 G CA 1.037 46.096 45.100 -0.068 0.000 0.989 41 G HN 1.130 nan 8.290 nan 0.000 0.551 42 N N 0.556 119.229 118.700 -0.045 0.000 2.585 42 N HA 0.110 4.849 4.740 -0.001 0.000 0.188 42 N C 2.221 177.718 175.510 -0.021 0.000 1.102 42 N CA 1.291 54.327 53.050 -0.024 0.000 0.920 42 N CB -0.122 38.364 38.487 -0.001 0.000 0.963 42 N HN 0.515 nan 8.380 nan 0.000 0.447 43 M N -0.526 119.049 119.600 -0.042 0.000 2.541 43 M HA 0.042 4.521 4.480 -0.001 0.000 0.252 43 M C 0.568 176.823 176.300 -0.076 0.000 1.125 43 M CA -0.036 55.241 55.300 -0.038 0.000 1.091 43 M CB 0.297 32.873 32.600 -0.039 0.000 1.420 43 M HN 0.001 nan 8.290 nan 0.000 0.486 44 R N 0.739 121.141 120.500 -0.163 0.000 2.538 44 R HA -0.077 4.263 4.340 -0.001 0.000 0.282 44 R C -0.435 175.655 176.300 -0.349 0.000 1.009 44 R CA 0.729 56.601 56.100 -0.380 0.000 1.063 44 R CB 0.154 30.082 30.300 -0.619 0.000 0.945 44 R HN 0.249 nan 8.270 nan 0.000 0.414 45 F N -0.465 119.489 119.950 0.006 0.000 2.502 45 F HA -0.284 4.242 4.527 -0.001 0.000 0.480 45 F C 0.545 176.328 175.800 -0.029 0.000 0.543 45 F CA 0.844 58.824 58.000 -0.033 0.000 1.350 45 F CB -1.416 37.553 39.000 -0.052 0.000 1.999 45 F HN 0.625 nan 8.300 nan 0.000 0.267 46 R N 1.326 121.895 120.500 0.115 0.000 2.577 46 R HA 0.499 4.839 4.340 -0.001 0.000 0.269 46 R C 0.665 176.991 176.300 0.044 0.000 1.084 46 R CA -0.801 55.342 56.100 0.071 0.000 1.163 46 R CB 0.529 30.857 30.300 0.046 0.000 1.100 46 R HN 0.105 nan 8.270 nan 0.000 0.547 47 R N 2.056 122.581 120.500 0.041 0.000 2.679 47 R HA 0.071 4.410 4.340 -0.001 0.000 0.268 47 R C -1.897 174.426 176.300 0.038 0.000 1.044 47 R CA -1.059 55.065 56.100 0.040 0.000 1.105 47 R CB -0.097 30.231 30.300 0.047 0.000 0.989 47 R HN 0.424 nan 8.270 nan 0.000 0.447 48 P HA 0.078 nan 4.420 nan 0.000 0.274 48 P C -0.898 176.434 177.300 0.052 0.000 1.231 48 P CA -0.036 63.092 63.100 0.047 0.000 0.790 48 P CB 0.934 32.686 31.700 0.087 0.000 0.951 49 E N 1.724 121.944 120.200 0.034 0.000 2.227 49 E HA 0.432 4.782 4.350 -0.001 0.000 0.268 49 E C -2.351 174.280 176.600 0.052 0.000 0.907 49 E CA -2.480 53.945 56.400 0.041 0.000 0.786 49 E CB 0.593 30.309 29.700 0.026 0.000 1.191 49 E HN 0.303 nan 8.360 nan 0.000 0.411 50 P HA -0.044 nan 4.420 nan 0.000 0.265 50 P C -0.332 177.018 177.300 0.082 0.000 1.187 50 P CA -0.052 63.113 63.100 0.108 0.000 0.766 50 P CB 0.420 32.186 31.700 0.111 0.000 0.820 51 K N 3.514 123.972 120.400 0.096 0.000 2.379 51 K HA 0.065 4.384 4.320 -0.001 0.000 0.284 51 K C -0.265 176.419 176.600 0.141 0.000 1.044 51 K CA 0.258 56.593 56.287 0.079 0.000 0.974 51 K CB -0.070 32.465 32.500 0.059 0.000 0.962 51 K HN 0.215 nan 8.250 nan 0.000 0.474 52 K N 6.039 126.517 120.400 0.130 0.000 2.451 52 K HA 0.098 4.418 4.320 -0.001 0.000 0.280 52 K C -2.167 174.539 176.600 0.178 0.000 1.020 52 K CA -1.477 54.887 56.287 0.127 0.000 1.008 52 K CB 0.184 32.751 32.500 0.112 0.000 0.917 52 K HN 0.529 nan 8.250 nan 0.000 0.478 53 P HA -0.083 nan 4.420 nan 0.000 0.267 53 P C -1.265 176.065 177.300 0.050 0.000 1.201 53 P CA 0.060 63.095 63.100 -0.109 0.000 0.775 53 P CB 0.276 31.885 31.700 -0.152 0.000 0.854 54 W N 0.531 121.898 121.300 0.112 0.000 2.781 54 W HA 0.731 5.391 4.660 -0.001 0.000 0.345 54 W C -0.939 175.650 176.519 0.118 0.000 1.085 54 W CA -0.776 56.652 57.345 0.138 0.000 1.198 54 W CB 0.237 29.838 29.460 0.236 0.000 1.423 54 W HN 0.099 nan 8.180 nan 0.000 0.532 55 S N 1.178 117.067 115.700 0.315 0.000 2.672 55 S HA 0.773 5.242 4.470 -0.001 0.000 0.276 55 S C 0.477 175.272 174.600 0.325 0.000 1.207 55 S CA 0.618 58.941 58.200 0.205 0.000 1.002 55 S CB 0.876 64.154 63.200 0.131 0.000 0.998 55 S HN 1.518 nan 8.310 nan 0.000 0.542 56 G N 0.010 108.944 108.800 0.223 0.000 2.693 56 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.226 56 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.226 56 G C -0.982 174.109 174.900 0.319 0.000 1.354 56 G CA -0.457 44.773 45.100 0.216 0.000 0.873 56 G HN 0.940 nan 8.290 nan 0.000 0.562 57 V N 0.784 120.841 119.914 0.238 0.000 2.398 57 V HA 0.507 4.627 4.120 -0.001 0.000 0.286 57 V C 0.295 176.515 176.094 0.210 0.000 1.026 57 V CA -0.528 61.937 62.300 0.274 0.000 0.868 57 V CB 1.771 33.693 31.823 0.165 0.000 0.982 57 V HN 0.717 nan 8.190 nan 0.000 0.443 58 W N 5.636 127.024 121.300 0.146 0.000 2.345 58 W HA 0.224 4.884 4.660 -0.001 0.000 0.308 58 W C 0.259 176.771 176.519 -0.011 0.000 1.273 58 W CA -0.454 56.822 57.345 -0.115 0.000 1.243 58 W CB 0.872 30.089 29.460 -0.404 0.000 1.260 58 W HN 0.630 nan 8.180 nan 0.000 0.509 59 N N 4.879 123.336 118.700 -0.406 0.000 2.402 59 N HA 0.140 4.879 4.740 -0.001 0.000 0.259 59 N C -0.420 175.074 175.510 -0.027 0.000 1.167 59 N CA 0.255 53.192 53.050 -0.188 0.000 0.949 59 N CB 0.791 39.108 38.487 -0.284 0.000 1.212 59 N HN 0.396 nan 8.380 nan 0.000 0.493 60 A N 2.864 125.800 122.820 0.194 0.000 3.264 60 A HA 0.177 4.497 4.320 -0.001 0.000 0.299 60 A C 1.099 178.698 177.584 0.027 0.000 1.272 60 A CA -0.439 51.738 52.037 0.233 0.000 1.030 60 A CB -0.456 18.780 19.000 0.393 0.000 1.102 60 A HN 0.632 nan 8.150 nan 0.000 0.615 61 S N -0.973 114.700 115.700 -0.044 0.000 2.524 61 S HA 0.162 4.631 4.470 -0.001 0.000 0.215 61 S C 0.743 175.259 174.600 -0.140 0.000 0.986 61 S CA 0.566 58.697 58.200 -0.114 0.000 0.911 61 S CB -0.251 62.886 63.200 -0.105 0.000 0.805 61 S HN 0.845 nan 8.310 nan 0.000 0.501 62 T N -0.890 113.598 114.554 -0.110 0.000 2.906 62 T HA 0.635 4.985 4.350 -0.001 0.000 0.295 62 T C -0.863 173.809 174.700 -0.046 0.000 1.061 62 T CA -0.743 61.288 62.100 -0.115 0.000 1.000 62 T CB 0.761 69.581 68.868 -0.081 0.000 1.103 62 T HN 0.060 nan 8.240 nan 0.000 0.486 63 Y N 3.051 123.320 120.300 -0.052 0.000 2.578 63 Y HA 0.310 4.860 4.550 -0.001 0.000 0.339 63 Y C -1.331 174.506 175.900 -0.106 0.000 1.231 63 Y CA -1.345 56.725 58.100 -0.049 0.000 1.461 63 Y CB 0.094 38.547 38.460 -0.013 0.000 1.323 63 Y HN 0.562 nan 8.280 nan 0.000 0.590 64 P HA 0.110 nan 4.420 nan 0.000 0.282 64 P C -0.650 176.568 177.300 -0.137 0.000 1.287 64 P CA -0.523 62.445 63.100 -0.219 0.000 0.792 64 P CB 0.954 32.412 31.700 -0.403 0.000 1.163 65 N N 0.056 118.647 118.700 -0.182 0.000 2.399 65 N HA 0.127 4.866 4.740 -0.001 0.000 0.250 65 N C 0.006 175.483 175.510 -0.055 0.000 1.272 65 N CA 0.122 53.115 53.050 -0.095 0.000 0.928 65 N CB -0.173 38.267 38.487 -0.079 0.000 1.158 65 N HN 0.408 nan 8.380 nan 0.000 0.463 66 N N -0.624 118.038 118.700 -0.064 0.000 2.456 66 N HA 0.427 5.167 4.740 -0.001 0.000 0.296 66 N C 0.189 175.661 175.510 -0.064 0.000 1.102 66 N CA -0.743 52.267 53.050 -0.068 0.000 0.924 66 N CB 1.050 39.474 38.487 -0.105 0.000 1.186 66 N HN 0.631 nan 8.380 nan 0.000 0.492 67 C N 1.258 120.526 119.300 -0.054 0.000 2.703 67 C HA 0.084 4.544 4.460 -0.001 0.000 0.411 67 C C 0.948 175.865 174.990 -0.123 0.000 1.290 67 C CA -0.083 58.886 59.018 -0.081 0.000 2.054 67 C CB -0.183 27.539 27.740 -0.030 0.000 2.732 67 C HN 0.519 nan 8.230 nan 0.000 0.650 68 Q N 2.533 122.183 119.800 -0.250 0.000 2.300 68 Q HA 0.362 4.702 4.340 -0.001 0.000 0.280 68 Q C -0.046 175.927 176.000 -0.045 0.000 1.033 68 Q CA 1.129 56.772 55.803 -0.267 0.000 0.903 68 Q CB 0.682 29.006 28.738 -0.690 0.000 1.195 68 Q HN 0.935 nan 8.270 nan 0.000 0.386 69 Q N 1.142 120.993 119.800 0.086 0.000 2.633 69 Q HA 0.304 4.644 4.340 -0.001 0.000 0.289 69 Q C -1.315 174.858 176.000 0.288 0.000 0.940 69 Q CA -1.004 54.943 55.803 0.239 0.000 0.785 69 Q CB 0.699 29.542 28.738 0.175 0.000 1.467 69 Q HN 0.479 nan 8.270 nan 0.000 0.401 70 Y N 0.963 121.449 120.300 0.310 0.000 2.497 70 Y HA 0.395 4.944 4.550 -0.001 0.000 0.334 70 Y C -1.071 175.005 175.900 0.294 0.000 1.199 70 Y CA 0.250 58.554 58.100 0.340 0.000 1.425 70 Y CB 0.967 39.723 38.460 0.492 0.000 1.291 70 Y HN 0.443 nan 8.280 nan 0.000 0.562 71 V N 6.410 125.974 119.914 -0.584 0.000 2.444 71 V HA 0.134 4.253 4.120 -0.001 0.000 0.294 71 V C -0.782 174.980 176.094 -0.553 0.000 1.022 71 V CA -1.083 60.996 62.300 -0.367 0.000 0.850 71 V CB 1.481 33.204 31.823 -0.167 0.000 0.992 71 V HN 0.782 nan 8.190 nan 0.000 0.426 72 D N 3.768 124.085 120.400 -0.138 0.000 2.346 72 D HA 0.101 4.740 4.640 -0.001 0.000 0.260 72 D C 0.603 176.960 176.300 0.096 0.000 1.252 72 D CA 0.437 54.496 54.000 0.098 0.000 0.895 72 D CB 0.855 41.876 40.800 0.367 0.000 1.097 72 D HN 0.673 nan 8.370 nan 0.000 0.489 73 E N 2.428 122.655 120.200 0.045 0.000 2.624 73 E HA -0.033 4.316 4.350 -0.001 0.000 0.210 73 E C 0.873 177.455 176.600 -0.031 0.000 0.997 73 E CA -0.151 56.264 56.400 0.025 0.000 0.999 73 E CB 0.622 30.313 29.700 -0.016 0.000 1.040 73 E HN 0.364 nan 8.360 nan 0.000 0.469 74 Q N -0.029 119.727 119.800 -0.073 0.000 2.135 74 Q HA -0.090 4.250 4.340 -0.001 0.000 0.204 74 Q C -0.277 175.247 176.000 -0.793 0.000 0.981 74 Q CA 1.395 56.900 55.803 -0.497 0.000 0.856 74 Q CB 0.163 28.454 28.738 -0.746 0.000 0.902 74 Q HN 0.131 nan 8.270 nan 0.000 0.425 75 F N 0.258 120.266 119.950 0.096 0.000 2.660 75 F HA 0.409 4.936 4.527 -0.001 0.000 0.352 75 F C -2.225 173.645 175.800 0.117 0.000 1.257 75 F CA -2.974 55.060 58.000 0.057 0.000 1.200 75 F CB 1.144 40.161 39.000 0.029 0.000 1.473 75 F HN -0.143 nan 8.300 nan 0.000 0.561 76 P HA 0.170 nan 4.420 nan 0.000 0.260 76 P C 1.011 178.393 177.300 0.137 0.000 1.185 76 P CA 1.294 64.467 63.100 0.122 0.000 0.763 76 P CB 0.697 32.433 31.700 0.060 0.000 0.776 77 G N 3.036 111.909 108.800 0.120 0.000 2.268 77 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.240 77 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.240 77 G C 0.067 175.036 174.900 0.116 0.000 1.010 77 G CA -0.461 44.694 45.100 0.090 0.000 0.618 77 G HN 0.528 nan 8.290 nan 0.000 0.516 78 F N 3.618 123.565 119.950 -0.005 0.000 2.506 78 F HA 0.476 5.003 4.527 -0.001 0.000 0.371 78 F C 1.773 177.511 175.800 -0.104 0.000 1.078 78 F CA 0.158 58.104 58.000 -0.090 0.000 1.195 78 F CB 1.067 40.003 39.000 -0.106 0.000 1.099 78 F HN 0.284 nan 8.300 nan 0.000 0.548 79 S N 3.392 118.716 115.700 -0.626 0.000 2.399 79 S HA -0.109 4.361 4.470 -0.001 0.000 0.231 79 S C 2.257 176.464 174.600 -0.655 0.000 1.022 79 S CA 0.850 58.726 58.200 -0.541 0.000 0.983 79 S CB -1.192 61.733 63.200 -0.458 0.000 0.803 79 S HN 0.811 nan 8.310 nan 0.000 0.480 80 G N 1.855 109.809 108.800 -1.409 0.000 2.469 80 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.220 80 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.220 80 G C 1.748 176.832 174.900 0.307 0.000 1.136 80 G CA 1.471 46.007 45.100 -0.940 0.000 0.759 80 G HN 0.810 nan 8.290 nan 0.000 0.562 81 S N -0.298 115.630 115.700 0.380 0.000 2.468 81 S HA 0.136 4.606 4.470 -0.001 0.000 0.226 81 S C 1.827 176.725 174.600 0.496 0.000 1.051 81 S CA 0.755 59.487 58.200 0.887 0.000 0.943 81 S CB -0.048 63.798 63.200 1.077 0.000 0.810 81 S HN 0.443 nan 8.310 nan 0.000 0.509 82 E N 1.809 122.137 120.200 0.214 0.000 2.409 82 E HA -0.031 4.318 4.350 -0.001 0.000 0.198 82 E C 1.933 178.497 176.600 -0.060 0.000 1.024 82 E CA 1.075 57.527 56.400 0.087 0.000 0.861 82 E CB -0.421 29.299 29.700 0.032 0.000 0.788 82 E HN 0.835 nan 8.360 nan 0.000 0.521 83 M N -1.964 117.511 119.600 -0.208 0.000 2.557 83 M HA -0.040 4.440 4.480 -0.001 0.000 0.259 83 M C 0.915 176.832 176.300 -0.637 0.000 1.086 83 M CA 1.262 56.273 55.300 -0.482 0.000 1.096 83 M CB -0.236 31.961 32.600 -0.671 0.000 1.424 83 M HN 0.032 nan 8.290 nan 0.000 0.488 84 W N 0.789 122.051 121.300 -0.064 0.000 3.013 84 W HA 0.286 4.945 4.660 -0.001 0.000 0.280 84 W C 0.499 176.949 176.519 -0.115 0.000 1.249 84 W CA -0.852 56.420 57.345 -0.122 0.000 1.577 84 W CB -0.082 29.333 29.460 -0.075 0.000 1.057 84 W HN 0.090 nan 8.180 nan 0.000 0.613 85 N N 1.582 120.341 118.700 0.097 0.000 2.444 85 N HA 0.109 4.848 4.740 -0.001 0.000 0.255 85 N C -2.444 173.038 175.510 -0.047 0.000 1.255 85 N CA -1.214 51.859 53.050 0.039 0.000 0.933 85 N CB -0.231 38.282 38.487 0.042 0.000 1.143 85 N HN -0.347 nan 8.380 nan 0.000 0.453 86 P HA 0.037 nan 4.420 nan 0.000 0.265 86 P C 0.271 177.517 177.300 -0.090 0.000 1.193 86 P CA 0.060 63.104 63.100 -0.093 0.000 0.765 86 P CB 0.311 31.966 31.700 -0.075 0.000 0.823 87 N N 2.502 121.134 118.700 -0.114 0.000 2.214 87 N HA 0.071 4.810 4.740 -0.001 0.000 0.214 87 N C 0.131 175.597 175.510 -0.072 0.000 1.132 87 N CA 0.075 53.067 53.050 -0.095 0.000 0.856 87 N CB 0.359 38.776 38.487 -0.116 0.000 1.020 87 N HN 0.171 nan 8.380 nan 0.000 0.509 88 R N 0.100 120.553 120.500 -0.077 0.000 2.888 88 R HA 0.321 4.660 4.340 -0.001 0.000 0.264 88 R C -0.696 175.569 176.300 -0.058 0.000 1.045 88 R CA -0.764 55.301 56.100 -0.059 0.000 0.962 88 R CB 0.923 31.183 30.300 -0.066 0.000 1.210 88 R HN 0.155 nan 8.270 nan 0.000 0.479 89 E N 1.063 121.233 120.200 -0.052 0.000 2.413 89 E HA 0.025 4.375 4.350 -0.001 0.000 0.263 89 E C -0.279 176.285 176.600 -0.060 0.000 1.015 89 E CA 0.362 56.732 56.400 -0.051 0.000 0.916 89 E CB 0.574 30.244 29.700 -0.049 0.000 0.947 89 E HN 0.235 nan 8.360 nan 0.000 0.440 90 M N 2.464 122.028 119.600 -0.059 0.000 2.274 90 M HA 0.296 4.775 4.480 -0.001 0.000 0.344 90 M C -0.327 175.922 176.300 -0.084 0.000 1.161 90 M CA -0.132 55.123 55.300 -0.074 0.000 1.126 90 M CB 1.583 34.141 32.600 -0.070 0.000 1.522 90 M HN 0.441 nan 8.290 nan 0.000 0.461 91 S N 0.452 116.089 115.700 -0.105 0.000 2.543 91 S HA 0.213 4.682 4.470 -0.001 0.000 0.274 91 S C -0.003 174.504 174.600 -0.154 0.000 1.149 91 S CA -0.676 57.457 58.200 -0.112 0.000 0.866 91 S CB 1.450 64.612 63.200 -0.065 0.000 1.111 91 S HN 0.839 nan 8.310 nan 0.000 0.457 92 E N 0.984 121.068 120.200 -0.193 0.000 2.268 92 E HA -0.081 4.268 4.350 -0.001 0.000 0.195 92 E C -0.203 176.323 176.600 -0.124 0.000 0.995 92 E CA 0.569 56.831 56.400 -0.231 0.000 0.836 92 E CB 0.099 29.654 29.700 -0.240 0.000 0.763 92 E HN 0.548 nan 8.360 nan 0.000 0.491 93 D N -0.380 119.982 120.400 -0.062 0.000 2.508 93 D HA 0.035 4.674 4.640 -0.001 0.000 0.224 93 D C -0.139 176.239 176.300 0.130 0.000 1.171 93 D CA -0.023 53.984 54.000 0.011 0.000 1.006 93 D CB 0.028 40.857 40.800 0.048 0.000 1.073 93 D HN 0.277 nan 8.370 nan 0.000 0.513 94 C N 4.610 123.955 119.300 0.075 0.000 3.722 94 C HA 0.315 4.774 4.460 -0.001 0.000 0.279 94 C C 0.724 175.784 174.990 0.116 0.000 1.819 94 C CA -0.476 58.657 59.018 0.193 0.000 1.744 94 C CB -0.586 27.190 27.740 0.059 0.000 3.247 94 C HN 0.496 nan 8.230 nan 0.000 0.549 95 L N 2.307 123.332 121.223 -0.329 0.000 2.404 95 L HA 0.423 4.762 4.340 -0.001 0.000 0.277 95 L C -0.875 175.212 176.870 -1.306 0.000 1.184 95 L CA 0.319 54.710 54.840 -0.747 0.000 1.013 95 L CB -0.797 40.694 42.059 -0.946 0.000 1.318 95 L HN 0.475 nan 8.230 nan 0.000 0.435 96 Y N 2.232 122.341 120.300 -0.319 0.000 2.609 96 Y HA 0.667 5.217 4.550 -0.001 0.000 0.342 96 Y C -0.143 175.883 175.900 0.211 0.000 1.058 96 Y CA -1.256 56.758 58.100 -0.144 0.000 1.055 96 Y CB 1.924 40.325 38.460 -0.099 0.000 1.292 96 Y HN 0.225 nan 8.280 nan 0.000 0.476 97 L N -0.227 121.167 121.223 0.284 0.000 2.327 97 L HA 0.794 5.134 4.340 -0.001 0.000 0.258 97 L C -1.368 175.554 176.870 0.087 0.000 1.024 97 L CA -1.029 53.928 54.840 0.194 0.000 0.825 97 L CB 1.991 44.098 42.059 0.080 0.000 1.386 97 L HN 0.479 nan 8.230 nan 0.000 0.417 98 N N 1.465 120.211 118.700 0.077 0.000 2.238 98 N HA 0.722 5.461 4.740 -0.001 0.000 0.302 98 N C -1.380 174.042 175.510 -0.147 0.000 1.072 98 N CA -0.225 52.773 53.050 -0.087 0.000 0.792 98 N CB 2.747 41.154 38.487 -0.134 0.000 1.425 98 N HN 0.660 nan 8.380 nan 0.000 0.478 99 I N 0.457 120.866 120.570 -0.268 0.000 2.499 99 I HA 0.371 4.541 4.170 -0.001 0.000 0.288 99 I C -0.805 175.253 176.117 -0.097 0.000 1.048 99 I CA -0.700 60.538 61.300 -0.103 0.000 1.062 99 I CB 2.236 40.122 38.000 -0.190 0.000 1.238 99 I HN 0.240 nan 8.210 nan 0.000 0.426 100 W N 6.052 127.490 121.300 0.229 0.000 2.329 100 W HA 0.554 5.213 4.660 -0.001 0.000 0.312 100 W C -0.960 175.703 176.519 0.240 0.000 1.054 100 W CA -0.622 56.855 57.345 0.220 0.000 1.245 100 W CB 2.027 31.587 29.460 0.166 0.000 1.255 100 W HN 0.090 nan 8.180 nan 0.000 0.436 101 V N 5.611 125.797 119.914 0.454 0.000 2.448 101 V HA 0.282 4.402 4.120 -0.001 0.000 0.295 101 V C -1.932 174.363 176.094 0.334 0.000 1.025 101 V CA -2.328 60.209 62.300 0.395 0.000 0.859 101 V CB 1.859 33.976 31.823 0.491 0.000 0.988 101 V HN 0.251 nan 8.190 nan 0.000 0.431 102 P HA 0.120 nan 4.420 nan 0.000 0.270 102 P C -0.567 176.868 177.300 0.226 0.000 1.227 102 P CA 0.151 63.398 63.100 0.244 0.000 0.788 102 P CB 0.517 32.328 31.700 0.186 0.000 0.926 103 S N 0.825 116.653 115.700 0.214 0.000 2.594 103 S HA 0.548 5.017 4.470 -0.001 0.000 0.296 103 S C -2.556 172.136 174.600 0.153 0.000 1.124 103 S CA -1.490 56.816 58.200 0.177 0.000 1.011 103 S CB 0.192 63.494 63.200 0.170 0.000 1.016 103 S HN 0.263 nan 8.310 nan 0.000 0.485 104 P HA 0.173 nan 4.420 nan 0.000 0.272 104 P C -0.493 176.881 177.300 0.125 0.000 1.223 104 P CA -0.552 62.615 63.100 0.111 0.000 0.784 104 P CB 0.392 32.143 31.700 0.085 0.000 0.923 105 R N 2.797 123.379 120.500 0.136 0.000 2.504 105 R HA 0.075 4.415 4.340 -0.001 0.000 0.291 105 R C -1.938 174.430 176.300 0.113 0.000 0.974 105 R CA -0.811 55.379 56.100 0.150 0.000 1.077 105 R CB -0.432 29.960 30.300 0.154 0.000 0.926 105 R HN 0.363 nan 8.270 nan 0.000 0.407 106 P HA 0.076 nan 4.420 nan 0.000 0.274 106 P C -0.196 177.141 177.300 0.062 0.000 1.260 106 P CA -0.389 62.760 63.100 0.082 0.000 0.793 106 P CB 0.682 32.433 31.700 0.086 0.000 1.048 107 K N -0.762 119.661 120.400 0.038 0.000 2.262 107 K HA 0.169 4.489 4.320 -0.001 0.000 0.200 107 K C 0.520 177.118 176.600 -0.002 0.000 1.058 107 K CA 0.916 57.213 56.287 0.016 0.000 0.974 107 K CB -0.198 32.308 32.500 0.010 0.000 0.910 107 K HN 0.305 nan 8.250 nan 0.000 0.484 108 S N 1.009 116.710 115.700 0.002 0.000 2.592 108 S HA 0.153 4.623 4.470 -0.001 0.000 0.151 108 S C -1.079 173.520 174.600 -0.000 0.000 1.280 108 S CA -0.339 57.852 58.200 -0.014 0.000 1.187 108 S CB 0.357 63.538 63.200 -0.032 0.000 1.471 108 S HN 0.145 nan 8.310 nan 0.000 0.409 109 T N 1.821 116.386 114.554 0.019 0.000 2.952 109 T HA 0.569 4.919 4.350 -0.001 0.000 0.286 109 T C 0.163 174.877 174.700 0.023 0.000 1.024 109 T CA -0.052 62.063 62.100 0.024 0.000 1.029 109 T CB 1.143 70.038 68.868 0.045 0.000 1.094 109 T HN 0.423 nan 8.240 nan 0.000 0.515 110 T N 2.416 116.979 114.554 0.015 0.000 2.933 110 T HA 0.286 4.635 4.350 -0.001 0.000 0.306 110 T C -0.221 174.500 174.700 0.036 0.000 1.045 110 T CA -0.140 61.965 62.100 0.008 0.000 1.143 110 T CB 0.136 68.998 68.868 -0.011 0.000 1.003 110 T HN 0.406 nan 8.240 nan 0.000 0.540 111 V N 5.035 124.974 119.914 0.042 0.000 2.581 111 V HA 0.536 4.656 4.120 -0.001 0.000 0.303 111 V C -0.005 176.143 176.094 0.090 0.000 1.041 111 V CA -0.806 61.542 62.300 0.080 0.000 0.907 111 V CB 1.794 33.668 31.823 0.086 0.000 0.994 111 V HN 0.834 nan 8.190 nan 0.000 0.442 112 M N 4.140 123.824 119.600 0.140 0.000 2.197 112 M HA 0.539 5.018 4.480 -0.001 0.000 0.301 112 M C -1.367 175.175 176.300 0.403 0.000 0.987 112 M CA -0.603 54.805 55.300 0.180 0.000 0.921 112 M CB 2.252 34.847 32.600 -0.009 0.000 1.569 112 M HN 0.353 nan 8.290 nan 0.000 0.431 113 V N 3.193 123.379 119.914 0.454 0.000 2.357 113 V HA 0.329 4.449 4.120 -0.001 0.000 0.284 113 V C -0.744 175.647 176.094 0.496 0.000 1.018 113 V CA -0.593 61.954 62.300 0.412 0.000 0.841 113 V CB 1.397 33.336 31.823 0.193 0.000 0.991 113 V HN 0.857 nan 8.190 nan 0.000 0.437 114 W N 7.001 128.408 121.300 0.178 0.000 2.316 114 W HA 0.615 5.275 4.660 -0.001 0.000 0.311 114 W C -1.260 175.151 176.519 -0.180 0.000 1.217 114 W CA -0.740 56.446 57.345 -0.266 0.000 1.199 114 W CB 1.177 30.525 29.460 -0.186 0.000 1.202 114 W HN 0.438 nan 8.180 nan 0.000 0.528 115 I N 9.295 129.252 120.570 -1.022 0.000 2.390 115 I HA 0.052 4.221 4.170 -0.001 0.000 0.283 115 I C -0.250 175.124 176.117 -1.239 0.000 1.016 115 I CA -1.104 59.681 61.300 -0.858 0.000 1.151 115 I CB 0.570 38.236 38.000 -0.556 0.000 1.293 115 I HN 0.289 nan 8.210 nan 0.000 0.458 116 Y N 4.609 124.424 120.300 -0.809 0.000 2.550 116 Y HA 0.598 5.147 4.550 -0.001 0.000 0.343 116 Y C 0.765 176.486 175.900 -0.298 0.000 1.245 116 Y CA -0.803 56.935 58.100 -0.603 0.000 1.462 116 Y CB -0.137 38.202 38.460 -0.202 0.000 1.340 116 Y HN 0.510 nan 8.280 nan 0.000 0.604 117 G N -0.622 108.193 108.800 0.025 0.000 2.606 117 G HA2 0.498 4.457 3.960 -0.001 0.000 0.262 117 G HA3 0.498 4.457 3.960 -0.001 0.000 0.262 117 G C 0.300 175.141 174.900 -0.098 0.000 1.394 117 G CA -0.922 44.122 45.100 -0.093 0.000 1.044 117 G HN 1.732 nan 8.290 nan 0.000 0.553 118 G N -2.849 105.734 108.800 -0.362 0.000 2.207 118 G HA2 0.406 4.365 3.960 -0.001 0.000 0.193 118 G HA3 0.406 4.365 3.960 -0.001 0.000 0.193 118 G C 1.034 175.366 174.900 -0.946 0.000 1.050 118 G CA 0.704 45.449 45.100 -0.591 0.000 0.780 118 G HN 2.300 nan 8.290 nan 0.000 0.504 119 G N -0.427 107.857 108.800 -0.860 0.000 2.233 119 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.270 119 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.270 119 G C 0.925 175.613 174.900 -0.353 0.000 1.011 119 G CA 0.798 45.290 45.100 -1.014 0.000 0.762 119 G HN 1.741 nan 8.290 nan 0.000 0.511 120 F N -3.462 116.397 119.950 -0.152 0.000 2.871 120 F HA -0.319 4.208 4.527 -0.001 0.000 0.326 120 F C 1.477 177.358 175.800 0.135 0.000 0.675 120 F CA 2.206 60.213 58.000 0.012 0.000 1.188 120 F CB -2.050 36.819 39.000 -0.218 0.000 1.567 120 F HN 0.925 nan 8.300 nan 0.000 0.325 121 Y N -1.085 119.280 120.300 0.107 0.000 2.500 121 Y HA 0.661 5.211 4.550 -0.001 0.000 0.246 121 Y C 0.610 176.598 175.900 0.147 0.000 1.146 121 Y CA 0.182 58.361 58.100 0.131 0.000 1.230 121 Y CB -0.050 38.397 38.460 -0.021 0.000 1.214 121 Y HN 0.093 nan 8.280 nan 0.000 0.526 122 S N -0.877 114.659 115.700 -0.273 0.000 2.727 122 S HA 0.875 5.345 4.470 -0.001 0.000 0.278 122 S C -0.196 174.246 174.600 -0.263 0.000 1.186 122 S CA -0.536 57.546 58.200 -0.198 0.000 0.836 122 S CB 1.373 64.409 63.200 -0.273 0.000 1.186 122 S HN 1.338 nan 8.310 nan 0.000 0.499 123 G N -0.376 108.234 108.800 -0.315 0.000 2.528 123 G HA2 0.419 4.379 3.960 -0.001 0.000 0.681 123 G HA3 0.419 4.379 3.960 -0.001 0.000 0.681 123 G C -1.004 173.274 174.900 -1.037 0.000 1.340 123 G CA -0.333 44.405 45.100 -0.603 0.000 0.855 123 G HN 1.397 nan 8.290 nan 0.000 0.649 124 S N -0.639 114.456 115.700 -1.008 0.000 2.536 124 S HA 0.690 5.160 4.470 -0.001 0.000 0.271 124 S C 0.953 175.393 174.600 -0.265 0.000 1.134 124 S CA 0.060 57.864 58.200 -0.660 0.000 0.897 124 S CB 1.834 64.855 63.200 -0.298 0.000 1.094 124 S HN 1.955 nan 8.310 nan 0.000 0.473 125 S N -0.029 115.706 115.700 0.058 0.000 2.562 125 S HA -0.056 4.414 4.470 -0.001 0.000 0.221 125 S C 1.383 176.091 174.600 0.179 0.000 0.975 125 S CA 0.854 59.285 58.200 0.384 0.000 0.918 125 S CB -0.608 62.849 63.200 0.429 0.000 0.772 125 S HN 0.845 nan 8.310 nan 0.000 0.531 126 T N 0.166 114.630 114.554 -0.150 0.000 3.086 126 T HA 0.403 4.752 4.350 -0.001 0.000 0.250 126 T C 0.506 174.952 174.700 -0.423 0.000 1.074 126 T CA -0.554 61.170 62.100 -0.628 0.000 0.988 126 T CB -0.624 67.710 68.868 -0.890 0.000 0.988 126 T HN 0.324 nan 8.240 nan 0.000 0.530 127 L N 1.914 122.975 121.223 -0.271 0.000 2.483 127 L HA 0.175 4.514 4.340 -0.001 0.000 0.275 127 L C 1.340 177.989 176.870 -0.368 0.000 1.220 127 L CA -0.559 54.033 54.840 -0.412 0.000 0.833 127 L CB 0.336 41.949 42.059 -0.743 0.000 1.102 127 L HN 0.069 nan 8.230 nan 0.000 0.490 128 D N 1.042 121.244 120.400 -0.329 0.000 2.149 128 D HA -0.136 4.504 4.640 -0.001 0.000 0.198 128 D C 1.988 178.102 176.300 -0.311 0.000 0.990 128 D CA 1.348 55.214 54.000 -0.223 0.000 0.839 128 D CB -0.068 40.617 40.800 -0.191 0.000 0.948 128 D HN 0.537 nan 8.370 nan 0.000 0.460 129 V N -1.309 118.276 119.914 -0.548 0.000 3.078 129 V HA -0.152 3.968 4.120 -0.001 0.000 0.265 129 V C 1.235 176.888 176.094 -0.736 0.000 1.122 129 V CA 1.019 62.961 62.300 -0.597 0.000 1.141 129 V CB -1.088 30.282 31.823 -0.756 0.000 0.735 129 V HN 0.047 nan 8.190 nan 0.000 0.498 130 Y N 0.031 119.895 120.300 -0.726 0.000 2.524 130 Y HA 0.428 4.978 4.550 -0.001 0.000 0.266 130 Y C 1.114 176.625 175.900 -0.648 0.000 1.180 130 Y CA -1.733 55.654 58.100 -1.189 0.000 1.244 130 Y CB -0.918 37.156 38.460 -0.643 0.000 1.125 130 Y HN 0.258 nan 8.280 nan 0.000 0.524 131 N N 1.610 120.165 118.700 -0.243 0.000 2.423 131 N HA -0.034 4.706 4.740 -0.001 0.000 0.275 131 N C 1.346 176.536 175.510 -0.533 0.000 1.283 131 N CA 0.588 53.467 53.050 -0.286 0.000 0.932 131 N CB 0.970 39.375 38.487 -0.138 0.000 1.185 131 N HN 0.492 nan 8.380 nan 0.000 0.483 132 G N 3.331 111.300 108.800 -1.385 0.000 2.776 132 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.209 132 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.209 132 G C 1.457 175.771 174.900 -0.977 0.000 1.145 132 G CA 0.460 44.964 45.100 -0.994 0.000 0.791 132 G HN 0.748 nan 8.290 nan 0.000 0.530 133 K N -0.478 119.121 120.400 -1.334 0.000 2.147 133 K HA -0.154 4.165 4.320 -0.001 0.000 0.205 133 K C 1.747 178.125 176.600 -0.370 0.000 1.049 133 K CA 1.133 56.996 56.287 -0.707 0.000 0.936 133 K CB -0.482 31.662 32.500 -0.594 0.000 0.722 133 K HN 0.312 nan 8.250 nan 0.000 0.446 134 Y N 1.088 121.305 120.300 -0.138 0.000 2.163 134 Y HA -0.112 4.438 4.550 -0.001 0.000 0.288 134 Y C 2.317 178.215 175.900 -0.003 0.000 1.136 134 Y CA 0.703 58.786 58.100 -0.028 0.000 1.147 134 Y CB -0.618 37.801 38.460 -0.069 0.000 0.987 134 Y HN 0.041 nan 8.280 nan 0.000 0.509 135 L N 0.125 121.383 121.223 0.059 0.000 2.072 135 L HA -0.023 4.316 4.340 -0.001 0.000 0.205 135 L C 2.337 179.224 176.870 0.028 0.000 1.079 135 L CA 1.841 56.671 54.840 -0.017 0.000 0.752 135 L CB -1.191 40.768 42.059 -0.166 0.000 0.906 135 L HN 0.132 nan 8.230 nan 0.000 0.436 136 A N -1.248 121.605 122.820 0.055 0.000 1.877 136 A HA -0.291 4.029 4.320 -0.001 0.000 0.216 136 A C 2.303 179.984 177.584 0.161 0.000 1.186 136 A CA 1.955 54.075 52.037 0.139 0.000 0.620 136 A CB -1.220 17.922 19.000 0.236 0.000 0.822 136 A HN 0.602 nan 8.150 nan 0.000 0.443 137 Y N 1.238 121.564 120.300 0.044 0.000 2.089 137 Y HA -0.179 4.371 4.550 -0.001 0.000 0.282 137 Y C 2.710 178.639 175.900 0.049 0.000 1.139 137 Y CA 2.403 60.534 58.100 0.051 0.000 1.123 137 Y CB -0.943 37.535 38.460 0.030 0.000 0.980 137 Y HN 0.301 nan 8.280 nan 0.000 0.493 138 T N 0.514 115.019 114.554 -0.083 0.000 2.684 138 T HA -0.150 4.199 4.350 -0.001 0.000 0.267 138 T C 1.392 176.015 174.700 -0.127 0.000 1.036 138 T CA 1.790 63.780 62.100 -0.184 0.000 1.148 138 T CB -0.161 68.696 68.868 -0.019 0.000 0.863 138 T HN 0.324 nan 8.240 nan 0.000 0.436 139 E N 0.635 120.814 120.200 -0.035 0.000 2.474 139 E HA 0.076 4.426 4.350 -0.001 0.000 0.195 139 E C 0.093 176.700 176.600 0.011 0.000 1.039 139 E CA 0.050 56.458 56.400 0.013 0.000 0.881 139 E CB 0.045 29.770 29.700 0.042 0.000 0.970 139 E HN 0.623 nan 8.360 nan 0.000 0.486 140 E N -0.013 120.185 120.200 -0.005 0.000 2.271 140 E HA -0.163 4.187 4.350 -0.001 0.000 0.223 140 E C -0.106 176.529 176.600 0.058 0.000 1.223 140 E CA 0.451 56.867 56.400 0.027 0.000 0.704 140 E CB -2.229 27.476 29.700 0.008 0.000 1.194 140 E HN 0.123 nan 8.360 nan 0.000 0.375 141 V N -3.743 116.218 119.914 0.078 0.000 2.960 141 V HA 0.663 4.782 4.120 -0.001 0.000 0.315 141 V C 0.388 176.567 176.094 0.142 0.000 1.087 141 V CA -1.148 61.204 62.300 0.088 0.000 0.982 141 V CB 2.308 34.166 31.823 0.058 0.000 1.039 141 V HN -0.009 nan 8.190 nan 0.000 0.437 142 V N 4.562 124.566 119.914 0.149 0.000 2.389 142 V HA 0.269 4.389 4.120 -0.001 0.000 0.264 142 V C 0.084 176.315 176.094 0.230 0.000 1.049 142 V CA -0.250 62.170 62.300 0.199 0.000 0.932 142 V CB 0.955 32.879 31.823 0.168 0.000 1.011 142 V HN 0.757 nan 8.190 nan 0.000 0.475 143 L N 7.745 129.164 121.223 0.326 0.000 2.264 143 L HA 0.599 4.939 4.340 -0.001 0.000 0.289 143 L C -0.465 176.710 176.870 0.509 0.000 1.044 143 L CA 0.176 55.262 54.840 0.410 0.000 0.807 143 L CB 1.662 43.967 42.059 0.411 0.000 1.192 143 L HN 0.394 nan 8.230 nan 0.000 0.425 144 V N 4.029 124.212 119.914 0.448 0.000 2.604 144 V HA 0.568 4.687 4.120 -0.001 0.000 0.305 144 V C -0.070 176.305 176.094 0.468 0.000 1.043 144 V CA -0.603 61.928 62.300 0.384 0.000 0.888 144 V CB 2.144 34.107 31.823 0.232 0.000 0.995 144 V HN 0.908 nan 8.190 nan 0.000 0.429 145 S N 4.936 120.913 115.700 0.461 0.000 2.561 145 S HA 0.844 5.314 4.470 -0.001 0.000 0.303 145 S C -0.808 173.976 174.600 0.308 0.000 1.110 145 S CA -0.756 57.730 58.200 0.476 0.000 1.034 145 S CB 1.612 65.209 63.200 0.662 0.000 1.010 145 S HN 0.703 nan 8.310 nan 0.000 0.482 146 L N 0.909 122.249 121.223 0.195 0.000 2.578 146 L HA 1.012 5.352 4.340 -0.001 0.000 0.259 146 L C 0.089 177.089 176.870 0.217 0.000 1.082 146 L CA -0.713 54.212 54.840 0.142 0.000 0.843 146 L CB 0.276 42.297 42.059 -0.064 0.000 1.535 146 L HN 0.889 nan 8.230 nan 0.000 0.510 147 S N -1.755 114.132 115.700 0.312 0.000 2.618 147 S HA 0.895 5.365 4.470 -0.001 0.000 0.277 147 S C -1.302 173.540 174.600 0.404 0.000 1.138 147 S CA -0.516 57.888 58.200 0.340 0.000 0.844 147 S CB 1.530 64.980 63.200 0.417 0.000 1.127 147 S HN 1.213 nan 8.310 nan 0.000 0.474 148 Y N -1.828 118.594 120.300 0.204 0.000 2.604 148 Y HA 0.684 5.233 4.550 -0.001 0.000 0.331 148 Y C -0.819 175.221 175.900 0.233 0.000 1.158 148 Y CA -1.417 56.795 58.100 0.188 0.000 1.056 148 Y CB 0.657 39.177 38.460 0.101 0.000 1.330 148 Y HN 0.768 nan 8.280 nan 0.000 0.457 149 R N 1.772 122.430 120.500 0.264 0.000 2.537 149 R HA 0.537 4.877 4.340 -0.001 0.000 0.280 149 R C -0.233 176.273 176.300 0.345 0.000 1.058 149 R CA -0.192 56.024 56.100 0.193 0.000 1.057 149 R CB 0.928 31.303 30.300 0.125 0.000 0.973 149 R HN 0.692 nan 8.270 nan 0.000 0.438 150 V N -0.317 119.814 119.914 0.363 0.000 3.158 150 V HA 0.897 5.016 4.120 -0.001 0.000 0.315 150 V C 0.692 177.131 176.094 0.574 0.000 1.148 150 V CA -0.128 62.503 62.300 0.553 0.000 1.042 150 V CB 1.219 33.251 31.823 0.349 0.000 1.101 150 V HN 0.979 nan 8.190 nan 0.000 0.448 151 G N 0.583 109.745 108.800 0.603 0.000 2.601 151 G HA2 0.040 4.000 3.960 -0.001 0.000 0.261 151 G HA3 0.040 4.000 3.960 -0.001 0.000 0.261 151 G C 1.003 176.063 174.900 0.266 0.000 1.289 151 G CA 0.921 46.304 45.100 0.470 0.000 0.920 151 G HN 2.237 nan 8.290 nan 0.000 0.571 152 A N -1.327 121.303 122.820 -0.317 0.000 1.940 152 A HA 0.157 4.477 4.320 -0.001 0.000 0.219 152 A C 2.240 179.683 177.584 -0.235 0.000 1.176 152 A CA 2.649 54.159 52.037 -0.879 0.000 0.631 152 A CB -0.546 17.733 19.000 -1.200 0.000 0.814 152 A HN 1.018 nan 8.150 nan 0.000 0.446 153 F N -0.028 119.980 119.950 0.097 0.000 2.202 153 F HA -0.051 4.476 4.527 -0.001 0.000 0.301 153 F C 2.408 178.235 175.800 0.045 0.000 1.082 153 F CA 1.245 59.282 58.000 0.061 0.000 1.313 153 F CB -0.619 38.373 39.000 -0.014 0.000 1.024 153 F HN 0.297 nan 8.300 nan 0.000 0.495 154 G N -2.774 106.137 108.800 0.184 0.000 2.944 154 G HA2 0.107 4.066 3.960 -0.001 0.000 0.220 154 G HA3 0.107 4.066 3.960 -0.001 0.000 0.220 154 G C 0.698 175.147 174.900 -0.751 0.000 1.100 154 G CA 0.053 45.021 45.100 -0.219 0.000 0.780 154 G HN 0.330 nan 8.290 nan 0.000 0.539 155 F N -0.421 119.620 119.950 0.151 0.000 2.899 155 F HA 0.421 4.948 4.527 -0.001 0.000 0.337 155 F C 0.315 176.175 175.800 0.101 0.000 1.129 155 F CA -0.945 57.124 58.000 0.115 0.000 1.128 155 F CB 0.487 39.571 39.000 0.140 0.000 1.154 155 F HN -0.088 nan 8.300 nan 0.000 0.531 156 L N 2.363 123.603 121.223 0.029 0.000 2.559 156 L HA 0.429 4.768 4.340 -0.001 0.000 0.274 156 L C 0.156 177.003 176.870 -0.040 0.000 1.205 156 L CA 0.256 55.007 54.840 -0.148 0.000 0.907 156 L CB 0.239 41.912 42.059 -0.643 0.000 1.153 156 L HN 0.165 nan 8.230 nan 0.000 0.490 157 A N 6.961 129.808 122.820 0.045 0.000 2.340 157 A HA 0.618 4.938 4.320 -0.001 0.000 0.297 157 A C -0.801 176.801 177.584 0.029 0.000 1.195 157 A CA -0.485 51.578 52.037 0.044 0.000 0.769 157 A CB 0.574 19.629 19.000 0.093 0.000 1.163 157 A HN 0.706 nan 8.150 nan 0.000 0.472 158 L N 3.640 124.868 121.223 0.009 0.000 2.506 158 L HA 0.240 4.579 4.340 -0.001 0.000 0.247 158 L C 0.173 177.078 176.870 0.058 0.000 1.141 158 L CA -0.788 54.061 54.840 0.015 0.000 0.973 158 L CB 0.185 42.221 42.059 -0.038 0.000 1.319 158 L HN 0.902 nan 8.230 nan 0.000 0.455 159 H N 1.584 120.654 119.070 -0.001 0.000 3.092 159 H HA 0.160 4.715 4.556 -0.001 0.000 0.332 159 H C 1.257 176.589 175.328 0.007 0.000 1.029 159 H CA 1.698 57.752 56.048 0.010 0.000 1.376 159 H CB 0.832 30.603 29.762 0.016 0.000 1.329 159 H HN 0.670 nan 8.280 nan 0.000 0.598 160 G N 2.438 110.914 108.800 -0.540 0.000 2.317 160 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.227 160 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.227 160 G C 0.483 175.285 174.900 -0.163 0.000 1.042 160 G CA 0.398 45.287 45.100 -0.351 0.000 0.623 160 G HN 0.954 nan 8.290 nan 0.000 0.509 161 S N 0.106 115.746 115.700 -0.099 0.000 2.586 161 S HA 0.610 5.080 4.470 -0.001 0.000 0.274 161 S C 1.052 175.634 174.600 -0.031 0.000 1.281 161 S CA 0.170 58.342 58.200 -0.047 0.000 1.035 161 S CB 1.517 64.702 63.200 -0.026 0.000 0.962 161 S HN 0.216 nan 8.310 nan 0.000 0.512 162 Q N 1.677 121.470 119.800 -0.011 0.000 2.356 162 Q HA 0.197 4.537 4.340 -0.001 0.000 0.205 162 Q C 1.059 177.075 176.000 0.027 0.000 0.901 162 Q CA 0.289 56.095 55.803 0.005 0.000 0.938 162 Q CB 0.156 28.897 28.738 0.005 0.000 1.081 162 Q HN 0.697 nan 8.270 nan 0.000 0.517 163 E N 0.594 120.814 120.200 0.032 0.000 2.158 163 E HA 0.073 4.422 4.350 -0.001 0.000 0.191 163 E C 0.144 176.799 176.600 0.090 0.000 0.982 163 E CA 0.541 56.978 56.400 0.062 0.000 0.823 163 E CB 0.482 30.222 29.700 0.067 0.000 0.766 163 E HN 0.134 nan 8.360 nan 0.000 0.468 164 A N 1.432 124.278 122.820 0.044 0.000 3.300 164 A HA 0.284 4.603 4.320 -0.001 0.000 0.300 164 A C -2.082 175.504 177.584 0.003 0.000 1.099 164 A CA -0.855 51.194 52.037 0.019 0.000 0.846 164 A CB 0.699 19.617 19.000 -0.137 0.000 1.255 164 A HN -0.112 nan 8.150 nan 0.000 0.519 165 P HA 0.156 nan 4.420 nan 0.000 0.225 165 P C 0.902 178.248 177.300 0.076 0.000 1.156 165 P CA 1.761 64.893 63.100 0.054 0.000 0.787 165 P CB 0.294 32.027 31.700 0.054 0.000 0.802 166 G N 0.548 109.374 108.800 0.043 0.000 2.661 166 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.685 166 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.685 166 G C -0.136 174.762 174.900 -0.004 0.000 1.298 166 G CA -0.276 44.852 45.100 0.046 0.000 0.855 166 G HN 0.102 nan 8.290 nan 0.000 0.560 167 N N -2.341 116.347 118.700 -0.019 0.000 2.732 167 N HA -0.293 4.447 4.740 -0.001 0.000 0.250 167 N C 1.973 177.322 175.510 -0.267 0.000 1.097 167 N CA 2.538 55.500 53.050 -0.147 0.000 0.812 167 N CB -1.614 36.738 38.487 -0.225 0.000 1.148 167 N HN 1.913 nan 8.380 nan 0.000 0.572 168 V N -2.817 116.940 119.914 -0.262 0.000 2.594 168 V HA -0.006 4.114 4.120 -0.001 0.000 0.253 168 V C 2.295 178.250 176.094 -0.231 0.000 1.069 168 V CA 2.264 64.461 62.300 -0.173 0.000 1.082 168 V CB -0.905 30.869 31.823 -0.082 0.000 0.680 168 V HN 0.277 nan 8.190 nan 0.000 0.469 169 G N 0.371 108.818 108.800 -0.589 0.000 2.408 169 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.217 169 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.217 169 G C 1.543 176.408 174.900 -0.059 0.000 1.150 169 G CA 1.069 45.957 45.100 -0.353 0.000 0.776 169 G HN 0.532 nan 8.290 nan 0.000 0.542 170 L N -0.095 121.048 121.223 -0.135 0.000 2.156 170 L HA 0.100 4.439 4.340 -0.001 0.000 0.208 170 L C 2.783 179.706 176.870 0.088 0.000 1.095 170 L CA 0.323 55.100 54.840 -0.105 0.000 0.770 170 L CB -0.232 41.495 42.059 -0.552 0.000 0.914 170 L HN 0.183 nan 8.230 nan 0.000 0.439 171 L N -0.693 120.569 121.223 0.065 0.000 2.141 171 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 171 L C 2.125 179.080 176.870 0.142 0.000 1.094 171 L CA 0.769 55.705 54.840 0.160 0.000 0.763 171 L CB -0.592 41.538 42.059 0.117 0.000 0.908 171 L HN 0.272 nan 8.230 nan 0.000 0.437 172 D N 0.096 120.579 120.400 0.138 0.000 2.097 172 D HA -0.202 4.438 4.640 -0.001 0.000 0.195 172 D C 2.273 178.647 176.300 0.124 0.000 0.989 172 D CA 1.202 55.347 54.000 0.242 0.000 0.827 172 D CB -0.191 40.798 40.800 0.314 0.000 0.966 172 D HN 0.372 nan 8.370 nan 0.000 0.456 173 Q N 0.180 120.021 119.800 0.068 0.000 2.061 173 Q HA -0.172 4.168 4.340 -0.001 0.000 0.204 173 Q C 2.314 178.232 176.000 -0.136 0.000 0.984 173 Q CA 1.229 56.990 55.803 -0.071 0.000 0.846 173 Q CB -0.121 28.597 28.738 -0.032 0.000 0.902 173 Q HN 0.203 nan 8.270 nan 0.000 0.421 174 R N 0.573 121.087 120.500 0.023 0.000 2.091 174 R HA -0.160 4.180 4.340 -0.001 0.000 0.238 174 R C 2.215 178.492 176.300 -0.039 0.000 1.136 174 R CA 1.566 57.662 56.100 -0.006 0.000 0.959 174 R CB -0.191 30.204 30.300 0.158 0.000 0.856 174 R HN 0.293 nan 8.270 nan 0.000 0.437 175 M N -0.081 119.516 119.600 -0.006 0.000 2.159 175 M HA -0.115 4.364 4.480 -0.001 0.000 0.263 175 M C 2.083 178.310 176.300 -0.122 0.000 1.063 175 M CA 1.918 57.234 55.300 0.028 0.000 1.110 175 M CB -0.018 32.691 32.600 0.182 0.000 1.374 175 M HN 0.328 nan 8.290 nan 0.000 0.411 176 A N 0.285 122.785 122.820 -0.533 0.000 1.930 176 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 176 A C 1.960 179.417 177.584 -0.212 0.000 1.175 176 A CA 1.242 52.812 52.037 -0.779 0.000 0.627 176 A CB -0.897 17.385 19.000 -1.196 0.000 0.815 176 A HN 0.567 nan 8.150 nan 0.000 0.443 177 L N -1.013 120.109 121.223 -0.169 0.000 2.141 177 L HA -0.209 4.130 4.340 -0.001 0.000 0.209 177 L C 2.806 179.710 176.870 0.057 0.000 1.094 177 L CA 1.582 56.392 54.840 -0.051 0.000 0.763 177 L CB -0.431 41.557 42.059 -0.118 0.000 0.908 177 L HN 0.465 nan 8.230 nan 0.000 0.437 178 Q N -0.356 119.474 119.800 0.049 0.000 2.119 178 Q HA -0.247 4.093 4.340 -0.001 0.000 0.201 178 Q C 1.987 178.095 176.000 0.180 0.000 0.972 178 Q CA 1.818 57.676 55.803 0.091 0.000 0.847 178 Q CB -0.411 28.370 28.738 0.071 0.000 0.903 178 Q HN 0.476 nan 8.270 nan 0.000 0.433 179 W N -0.781 120.531 121.300 0.020 0.000 2.381 179 W HA -0.134 4.526 4.660 -0.001 0.000 0.301 179 W C 1.833 178.399 176.519 0.078 0.000 1.205 179 W CA 1.569 58.954 57.345 0.065 0.000 1.285 179 W CB -0.150 29.347 29.460 0.062 0.000 1.133 179 W HN -0.004 nan 8.180 nan 0.000 0.521 180 V N -0.054 120.058 119.914 0.330 0.000 2.295 180 V HA -0.382 3.738 4.120 -0.001 0.000 0.246 180 V C 2.545 178.680 176.094 0.067 0.000 1.049 180 V CA 2.360 64.781 62.300 0.202 0.000 1.024 180 V CB -1.307 30.621 31.823 0.174 0.000 0.648 180 V HN 0.339 nan 8.190 nan 0.000 0.447 181 H N 0.335 119.408 119.070 0.005 0.000 2.352 181 H HA -0.171 4.384 4.556 -0.001 0.000 0.299 181 H C 1.917 177.188 175.328 -0.094 0.000 1.097 181 H CA 2.049 58.078 56.048 -0.032 0.000 1.311 181 H CB 0.009 29.764 29.762 -0.012 0.000 1.377 181 H HN 0.439 nan 8.280 nan 0.000 0.504 182 D N -0.303 120.094 120.400 -0.004 0.000 2.289 182 D HA -0.044 4.595 4.640 -0.001 0.000 0.207 182 D C 1.188 177.345 176.300 -0.239 0.000 0.966 182 D CA 0.518 54.454 54.000 -0.107 0.000 0.868 182 D CB 0.089 40.846 40.800 -0.071 0.000 0.943 182 D HN 0.468 nan 8.370 nan 0.000 0.514 183 N N -0.145 118.339 118.700 -0.360 0.000 2.168 183 N HA 0.025 4.765 4.740 -0.001 0.000 0.216 183 N C 1.487 176.938 175.510 -0.097 0.000 1.259 183 N CA -0.176 52.695 53.050 -0.298 0.000 0.902 183 N CB 1.021 38.966 38.487 -0.904 0.000 1.079 183 N HN 0.005 nan 8.380 nan 0.000 0.507 184 I N 3.158 123.674 120.570 -0.090 0.000 2.530 184 I HA -0.251 3.919 4.170 -0.001 0.000 0.257 184 I C 2.541 178.660 176.117 0.002 0.000 1.179 184 I CA 1.325 62.671 61.300 0.077 0.000 1.440 184 I CB -0.183 37.835 38.000 0.030 0.000 1.087 184 I HN 0.203 nan 8.210 nan 0.000 0.440 185 Q N -0.787 118.829 119.800 -0.307 0.000 2.226 185 Q HA -0.226 4.114 4.340 -0.001 0.000 0.204 185 Q C 1.804 177.549 176.000 -0.425 0.000 0.975 185 Q CA 1.646 57.194 55.803 -0.424 0.000 0.866 185 Q CB -0.802 27.547 28.738 -0.648 0.000 0.915 185 Q HN 0.427 nan 8.270 nan 0.000 0.440 186 F N -0.268 119.624 119.950 -0.098 0.000 2.661 186 F HA 0.114 4.640 4.527 -0.001 0.000 0.298 186 F C 0.899 176.468 175.800 -0.385 0.000 1.137 186 F CA 0.296 58.137 58.000 -0.266 0.000 1.454 186 F CB -0.054 38.701 39.000 -0.408 0.000 1.103 186 F HN 0.000 nan 8.300 nan 0.000 0.577 187 F N -0.652 119.297 119.950 -0.003 0.000 2.664 187 F HA 0.425 4.952 4.527 -0.001 0.000 0.303 187 F C 1.781 177.588 175.800 0.012 0.000 1.092 187 F CA 0.322 58.301 58.000 -0.034 0.000 1.305 187 F CB 0.064 39.018 39.000 -0.077 0.000 1.054 187 F HN 0.033 nan 8.300 nan 0.000 0.565 188 G N 0.130 109.001 108.800 0.118 0.000 2.176 188 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.232 188 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.232 188 G C 0.624 175.563 174.900 0.065 0.000 0.986 188 G CA -0.297 44.851 45.100 0.081 0.000 0.643 188 G HN 0.709 nan 8.290 nan 0.000 0.522 189 G N -0.357 108.486 108.800 0.072 0.000 2.448 189 G HA2 0.489 4.448 3.960 -0.001 0.000 0.285 189 G HA3 0.489 4.448 3.960 -0.001 0.000 0.285 189 G C -0.720 174.166 174.900 -0.024 0.000 1.176 189 G CA 0.345 45.470 45.100 0.042 0.000 0.852 189 G HN 0.273 nan 8.290 nan 0.000 0.530 190 D N 1.475 121.860 120.400 -0.024 0.000 2.396 190 D HA 0.257 4.897 4.640 -0.001 0.000 0.225 190 D C -0.959 175.301 176.300 -0.067 0.000 1.121 190 D CA -2.410 51.556 54.000 -0.057 0.000 0.853 190 D CB 1.812 42.588 40.800 -0.040 0.000 1.043 190 D HN 0.071 nan 8.370 nan 0.000 0.500 191 P HA -0.151 nan 4.420 nan 0.000 0.225 191 P C 0.602 177.844 177.300 -0.097 0.000 1.148 191 P CA 0.881 63.888 63.100 -0.156 0.000 0.779 191 P CB 0.043 31.537 31.700 -0.342 0.000 0.780 192 K N -0.998 119.355 120.400 -0.079 0.000 2.404 192 K HA 0.145 4.464 4.320 -0.001 0.000 0.194 192 K C -0.001 176.587 176.600 -0.021 0.000 1.023 192 K CA 0.265 56.529 56.287 -0.038 0.000 1.094 192 K CB -0.245 32.226 32.500 -0.049 0.000 0.841 192 K HN -0.180 nan 8.250 nan 0.000 0.523 193 T N 1.521 116.066 114.554 -0.017 0.000 3.585 193 T HA 0.164 4.514 4.350 -0.001 0.000 0.252 193 T C -1.236 173.472 174.700 0.012 0.000 1.382 193 T CA -0.571 61.520 62.100 -0.015 0.000 1.584 193 T CB 0.932 69.779 68.868 -0.034 0.000 0.892 193 T HN 0.134 nan 8.240 nan 0.000 0.671 194 V N 1.702 121.650 119.914 0.058 0.000 2.435 194 V HA 0.713 4.832 4.120 -0.001 0.000 0.290 194 V C -0.538 175.641 176.094 0.142 0.000 1.030 194 V CA 0.010 62.372 62.300 0.102 0.000 0.881 194 V CB 1.719 33.626 31.823 0.139 0.000 0.983 194 V HN 0.506 nan 8.190 nan 0.000 0.445 195 T N 8.498 123.121 114.554 0.115 0.000 2.786 195 T HA 0.520 4.870 4.350 -0.001 0.000 0.283 195 T C -0.154 174.655 174.700 0.181 0.000 0.992 195 T CA -0.163 62.016 62.100 0.131 0.000 0.954 195 T CB 0.726 69.616 68.868 0.037 0.000 0.934 195 T HN 0.784 nan 8.240 nan 0.000 0.440 196 I N 1.849 122.500 120.570 0.135 0.000 2.396 196 I HA 0.851 5.021 4.170 -0.001 0.000 0.292 196 I C -0.822 175.466 176.117 0.286 0.000 0.999 196 I CA -0.890 60.481 61.300 0.119 0.000 1.310 196 I CB 0.787 38.636 38.000 -0.252 0.000 1.404 196 I HN 0.479 nan 8.210 nan 0.000 0.496 197 F N 3.091 123.073 119.950 0.054 0.000 2.631 197 F HA 1.003 5.529 4.527 -0.001 0.000 0.308 197 F C -0.447 175.329 175.800 -0.039 0.000 1.097 197 F CA -1.330 56.740 58.000 0.117 0.000 0.952 197 F CB 1.320 40.513 39.000 0.322 0.000 1.307 197 F HN 0.838 nan 8.300 nan 0.000 0.450 198 G N 0.883 109.557 108.800 -0.211 0.000 2.576 198 G HA2 0.486 4.446 3.960 -0.001 0.000 0.290 198 G HA3 0.486 4.446 3.960 -0.001 0.000 0.290 198 G C -2.527 172.171 174.900 -0.338 0.000 1.442 198 G CA -0.799 43.790 45.100 -0.852 0.000 0.792 198 G HN 0.865 nan 8.290 nan 0.000 0.491 199 E N 0.329 120.298 120.200 -0.383 0.000 2.227 199 E HA 0.634 4.983 4.350 -0.001 0.000 0.268 199 E C 0.740 177.286 176.600 -0.090 0.000 0.907 199 E CA 0.302 56.691 56.400 -0.018 0.000 0.786 199 E CB 2.073 31.906 29.700 0.221 0.000 1.191 199 E HN 0.811 nan 8.360 nan 0.000 0.411 200 S N 2.676 118.382 115.700 0.010 0.000 4.112 200 S HA -0.399 4.071 4.470 -0.001 0.000 0.602 200 S C 1.483 176.148 174.600 0.110 0.000 1.939 200 S CA 2.148 60.412 58.200 0.106 0.000 4.230 200 S CB -1.584 61.598 63.200 -0.029 0.000 0.245 200 S HN 0.961 nan 8.310 nan 0.000 0.530 201 A N 0.924 123.702 122.820 -0.069 0.000 2.032 201 A HA 0.085 4.405 4.320 -0.001 0.000 0.221 201 A C 2.414 179.761 177.584 -0.395 0.000 1.165 201 A CA 2.542 54.358 52.037 -0.368 0.000 0.645 201 A CB -1.528 16.860 19.000 -1.020 0.000 0.807 201 A HN 1.545 nan 8.150 nan 0.000 0.453 202 G N -0.820 107.800 108.800 -0.300 0.000 2.403 202 G HA2 0.108 4.067 3.960 -0.001 0.000 0.216 202 G HA3 0.108 4.067 3.960 -0.001 0.000 0.216 202 G C 1.463 176.199 174.900 -0.273 0.000 1.154 202 G CA 1.100 45.983 45.100 -0.361 0.000 0.784 202 G HN 0.661 nan 8.290 nan 0.000 0.538 203 G N 1.051 109.749 108.800 -0.170 0.000 2.408 203 G HA2 0.100 4.060 3.960 -0.001 0.000 0.217 203 G HA3 0.100 4.060 3.960 -0.001 0.000 0.217 203 G C 2.024 176.843 174.900 -0.134 0.000 1.150 203 G CA 1.416 46.451 45.100 -0.108 0.000 0.776 203 G HN 0.580 nan 8.290 nan 0.000 0.542 204 A N 0.838 123.601 122.820 -0.095 0.000 1.902 204 A HA 0.012 4.332 4.320 -0.001 0.000 0.217 204 A C 2.696 180.230 177.584 -0.083 0.000 1.181 204 A CA 2.232 54.192 52.037 -0.128 0.000 0.623 204 A CB -0.670 18.293 19.000 -0.061 0.000 0.818 204 A HN 0.297 nan 8.150 nan 0.000 0.443 205 S N -0.469 115.204 115.700 -0.045 0.000 2.359 205 S HA -0.156 4.314 4.470 -0.001 0.000 0.224 205 S C 1.928 176.477 174.600 -0.085 0.000 1.035 205 S CA 1.476 59.635 58.200 -0.069 0.000 1.018 205 S CB -0.556 62.559 63.200 -0.142 0.000 0.876 205 S HN 0.344 nan 8.310 nan 0.000 0.448 206 V N 1.570 121.436 119.914 -0.080 0.000 2.282 206 V HA -0.219 3.901 4.120 -0.001 0.000 0.249 206 V C 2.592 178.652 176.094 -0.056 0.000 1.057 206 V CA 2.086 64.345 62.300 -0.068 0.000 1.032 206 V CB -1.461 30.296 31.823 -0.110 0.000 0.645 206 V HN 0.615 nan 8.190 nan 0.000 0.447 207 G N -1.198 107.516 108.800 -0.143 0.000 2.432 207 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.219 207 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.219 207 G C 1.589 176.486 174.900 -0.005 0.000 1.135 207 G CA 0.990 45.974 45.100 -0.195 0.000 0.767 207 G HN 0.462 nan 8.290 nan 0.000 0.550 208 M N -0.224 119.385 119.600 0.015 0.000 2.229 208 M HA 0.018 4.497 4.480 -0.001 0.000 0.264 208 M C 2.248 178.676 176.300 0.213 0.000 1.063 208 M CA 0.859 56.291 55.300 0.221 0.000 1.114 208 M CB -0.229 32.504 32.600 0.222 0.000 1.387 208 M HN 0.192 nan 8.290 nan 0.000 0.420 209 H N -0.218 118.985 119.070 0.222 0.000 2.462 209 H HA 0.060 4.616 4.556 -0.001 0.000 0.292 209 H C 2.092 177.636 175.328 0.360 0.000 1.049 209 H CA 1.204 57.378 56.048 0.209 0.000 1.334 209 H CB -0.124 29.650 29.762 0.021 0.000 1.404 209 H HN 0.411 nan 8.280 nan 0.000 0.544 210 I N 0.411 121.270 120.570 0.481 0.000 2.315 210 I HA -0.232 3.938 4.170 -0.001 0.000 0.248 210 I C 2.187 178.560 176.117 0.426 0.000 1.117 210 I CA 0.836 62.471 61.300 0.559 0.000 1.404 210 I CB -0.049 38.231 38.000 0.467 0.000 1.071 210 I HN 0.105 nan 8.210 nan 0.000 0.419 211 L N -0.560 120.879 121.223 0.360 0.000 2.068 211 L HA -0.046 4.293 4.340 -0.001 0.000 0.204 211 L C 1.557 178.554 176.870 0.213 0.000 1.076 211 L CA 0.353 55.400 54.840 0.344 0.000 0.753 211 L CB -0.326 41.961 42.059 0.380 0.000 0.910 211 L HN 0.060 nan 8.230 nan 0.000 0.439 212 S N 0.232 115.982 115.700 0.083 0.000 2.509 212 S HA 0.049 4.518 4.470 -0.001 0.000 0.287 212 S C -1.480 173.010 174.600 -0.183 0.000 1.248 212 S CA -1.237 56.809 58.200 -0.257 0.000 1.089 212 S CB 0.744 63.354 63.200 -0.983 0.000 0.900 212 S HN -0.068 nan 8.310 nan 0.000 0.496 213 P HA -0.081 nan 4.420 nan 0.000 0.216 213 P C 1.417 178.635 177.300 -0.138 0.000 1.154 213 P CA 1.267 64.302 63.100 -0.109 0.000 0.865 213 P CB -0.105 31.537 31.700 -0.097 0.000 0.789 214 G N -1.691 106.974 108.800 -0.225 0.000 2.679 214 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.212 214 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.212 214 G C 1.332 176.151 174.900 -0.134 0.000 1.137 214 G CA 0.576 45.561 45.100 -0.191 0.000 0.787 214 G HN 0.239 nan 8.290 nan 0.000 0.534 215 S N -0.313 115.331 115.700 -0.094 0.000 2.514 215 S HA 0.091 4.560 4.470 -0.001 0.000 0.223 215 S C 2.270 176.970 174.600 0.167 0.000 1.046 215 S CA -0.436 57.817 58.200 0.088 0.000 0.914 215 S CB 0.163 63.551 63.200 0.312 0.000 0.807 215 S HN 0.362 nan 8.310 nan 0.000 0.497 216 R N 2.140 122.686 120.500 0.077 0.000 2.140 216 R HA -0.164 4.175 4.340 -0.001 0.000 0.250 216 R C 0.689 176.811 176.300 -0.297 0.000 1.150 216 R CA 1.760 57.803 56.100 -0.096 0.000 0.966 216 R CB -0.924 29.336 30.300 -0.067 0.000 0.869 216 R HN 0.337 nan 8.270 nan 0.000 0.445 217 D N 0.721 121.018 120.400 -0.171 0.000 2.371 217 D HA -0.006 4.634 4.640 -0.001 0.000 0.221 217 D C 1.644 177.845 176.300 -0.165 0.000 0.986 217 D CA 0.620 54.512 54.000 -0.180 0.000 0.899 217 D CB -0.043 40.667 40.800 -0.151 0.000 0.902 217 D HN 0.246 nan 8.370 nan 0.000 0.530 218 L N -0.296 120.879 121.223 -0.080 0.000 2.591 218 L HA 0.157 4.496 4.340 -0.001 0.000 0.228 218 L C -0.052 176.965 176.870 0.245 0.000 1.133 218 L CA -0.036 54.830 54.840 0.043 0.000 0.880 218 L CB -0.315 41.785 42.059 0.069 0.000 1.033 218 L HN -0.035 nan 8.230 nan 0.000 0.450 219 F N -4.160 115.804 119.950 0.024 0.000 2.686 219 F HA 0.569 5.095 4.527 -0.001 0.000 0.311 219 F C 0.396 176.222 175.800 0.042 0.000 1.128 219 F CA -1.360 56.664 58.000 0.040 0.000 0.946 219 F CB 1.179 40.199 39.000 0.032 0.000 1.336 219 F HN -0.398 nan 8.300 nan 0.000 0.457 220 R N 0.745 121.320 120.500 0.125 0.000 2.087 220 R HA 0.481 4.821 4.340 -0.001 0.000 0.213 220 R C 0.008 176.354 176.300 0.077 0.000 1.137 220 R CA 0.998 57.103 56.100 0.009 0.000 1.022 220 R CB 0.275 30.581 30.300 0.011 0.000 0.920 220 R HN 0.793 nan 8.270 nan 0.000 0.451 221 R N -1.424 119.212 120.500 0.227 0.000 2.905 221 R HA 0.764 5.103 4.340 -0.001 0.000 0.260 221 R C -1.524 175.010 176.300 0.389 0.000 1.086 221 R CA -0.709 55.528 56.100 0.228 0.000 0.978 221 R CB 2.227 32.466 30.300 -0.101 0.000 1.215 221 R HN 0.216 nan 8.270 nan 0.000 0.480 222 A N 1.102 124.151 122.820 0.381 0.000 2.549 222 A HA 0.712 5.032 4.320 -0.001 0.000 0.297 222 A C -1.298 176.430 177.584 0.240 0.000 1.061 222 A CA -0.614 51.587 52.037 0.275 0.000 0.690 222 A CB 1.352 20.470 19.000 0.197 0.000 1.287 222 A HN 0.554 nan 8.150 nan 0.000 0.402 223 I N 1.447 122.108 120.570 0.151 0.000 2.499 223 I HA 0.400 4.570 4.170 -0.001 0.000 0.288 223 I C -1.535 174.645 176.117 0.104 0.000 1.048 223 I CA -0.613 60.707 61.300 0.034 0.000 1.062 223 I CB 1.961 39.955 38.000 -0.009 0.000 1.238 223 I HN 0.419 nan 8.210 nan 0.000 0.426 224 L N 6.521 127.775 121.223 0.052 0.000 2.343 224 L HA 0.443 4.782 4.340 -0.001 0.000 0.278 224 L C -0.505 176.455 176.870 0.150 0.000 0.996 224 L CA -0.270 54.603 54.840 0.055 0.000 0.831 224 L CB 1.579 43.605 42.059 -0.055 0.000 1.232 224 L HN 0.490 nan 8.230 nan 0.000 0.413 225 Q N 1.850 121.792 119.800 0.236 0.000 2.347 225 Q HA 0.484 4.823 4.340 -0.001 0.000 0.262 225 Q C 0.053 176.185 176.000 0.220 0.000 0.980 225 Q CA -0.593 55.421 55.803 0.352 0.000 0.867 225 Q CB 1.500 30.549 28.738 0.519 0.000 1.242 225 Q HN 0.635 nan 8.270 nan 0.000 0.453 226 S N 1.038 116.856 115.700 0.197 0.000 3.614 226 S HA -0.166 4.303 4.470 -0.001 0.000 0.360 226 S C 0.030 174.765 174.600 0.225 0.000 1.023 226 S CA 0.595 58.919 58.200 0.206 0.000 1.114 226 S CB -1.172 62.172 63.200 0.240 0.000 0.907 226 S HN 0.991 nan 8.310 nan 0.000 0.470 227 G N -0.332 108.546 108.800 0.129 0.000 2.596 227 G HA2 0.586 4.546 3.960 -0.001 0.000 0.296 227 G HA3 0.586 4.546 3.960 -0.001 0.000 0.296 227 G C -0.980 173.866 174.900 -0.089 0.000 1.513 227 G CA 0.103 45.276 45.100 0.121 0.000 0.851 227 G HN 1.086 nan 8.290 nan 0.000 0.548 228 S N 1.305 116.876 115.700 -0.214 0.000 2.588 228 S HA 0.799 5.268 4.470 -0.001 0.000 0.275 228 S C -1.967 172.341 174.600 -0.487 0.000 1.130 228 S CA -1.137 56.785 58.200 -0.463 0.000 0.855 228 S CB 3.080 65.996 63.200 -0.474 0.000 1.116 228 S HN 0.435 nan 8.310 nan 0.000 0.472 229 P HA -0.157 nan 4.420 nan 0.000 0.218 229 P C 0.637 177.692 177.300 -0.409 0.000 1.148 229 P CA 1.426 64.281 63.100 -0.407 0.000 0.822 229 P CB -0.317 31.191 31.700 -0.320 0.000 0.784 230 N N -0.739 117.749 118.700 -0.352 0.000 2.370 230 N HA -0.024 4.716 4.740 -0.001 0.000 0.198 230 N C 0.014 175.289 175.510 -0.392 0.000 1.156 230 N CA -0.154 52.725 53.050 -0.285 0.000 0.839 230 N CB -1.366 37.073 38.487 -0.080 0.000 0.989 230 N HN 0.047 nan 8.380 nan 0.000 0.468 231 C N 3.007 121.956 119.300 -0.586 0.000 2.642 231 C HA 0.090 4.549 4.460 -0.001 0.000 0.420 231 C C -0.155 174.338 174.990 -0.828 0.000 1.349 231 C CA -0.955 57.578 59.018 -0.809 0.000 1.821 231 C CB 1.028 27.971 27.740 -1.328 0.000 2.637 231 C HN 0.363 nan 8.230 nan 0.000 0.605 232 P HA -0.133 nan 4.420 nan 0.000 0.220 232 P C 1.160 178.251 177.300 -0.349 0.000 1.144 232 P CA 1.901 64.721 63.100 -0.466 0.000 0.800 232 P CB -0.072 31.358 31.700 -0.451 0.000 0.772 233 W N -1.513 119.643 121.300 -0.241 0.000 3.107 233 W HA 0.545 5.204 4.660 -0.001 0.000 0.293 233 W C 1.372 177.909 176.519 0.030 0.000 1.239 233 W CA 0.351 57.622 57.345 -0.123 0.000 1.653 233 W CB -1.088 28.312 29.460 -0.100 0.000 1.068 233 W HN -0.128 nan 8.180 nan 0.000 0.615 234 A N 1.572 124.014 122.820 -0.629 0.000 2.119 234 A HA 0.088 4.408 4.320 -0.001 0.000 0.217 234 A C 1.127 178.511 177.584 -0.334 0.000 1.153 234 A CA 1.444 53.224 52.037 -0.429 0.000 0.692 234 A CB -0.606 17.903 19.000 -0.819 0.000 0.799 234 A HN 0.267 nan 8.150 nan 0.000 0.458 235 S N -2.149 113.357 115.700 -0.322 0.000 2.588 235 S HA 0.639 5.109 4.470 -0.001 0.000 0.269 235 S C -0.789 173.676 174.600 -0.224 0.000 1.157 235 S CA -0.088 57.925 58.200 -0.310 0.000 0.824 235 S CB 1.306 64.265 63.200 -0.402 0.000 1.126 235 S HN 1.401 nan 8.310 nan 0.000 0.464 236 V N -1.051 118.753 119.914 -0.184 0.000 3.181 236 V HA 0.942 5.061 4.120 -0.001 0.000 0.308 236 V C 0.108 176.129 176.094 -0.122 0.000 1.214 236 V CA -0.420 61.796 62.300 -0.139 0.000 1.053 236 V CB 1.148 32.903 31.823 -0.112 0.000 1.069 236 V HN 1.551 nan 8.190 nan 0.000 0.441 237 S N 0.648 116.286 115.700 -0.103 0.000 2.624 237 S HA 0.360 4.830 4.470 -0.001 0.000 0.263 237 S C 1.296 175.847 174.600 -0.082 0.000 1.287 237 S CA 0.026 58.170 58.200 -0.093 0.000 0.990 237 S CB 1.226 64.379 63.200 -0.077 0.000 0.950 237 S HN 2.139 nan 8.310 nan 0.000 0.561 238 V N -1.334 118.519 119.914 -0.101 0.000 2.626 238 V HA 0.026 4.145 4.120 -0.001 0.000 0.252 238 V C 2.492 178.565 176.094 -0.035 0.000 1.067 238 V CA 1.580 63.826 62.300 -0.091 0.000 1.081 238 V CB -2.013 29.678 31.823 -0.220 0.000 0.686 238 V HN 0.991 nan 8.190 nan 0.000 0.468 239 A N 0.796 123.591 122.820 -0.041 0.000 1.873 239 A HA -0.190 4.129 4.320 -0.001 0.000 0.215 239 A C 2.224 179.787 177.584 -0.035 0.000 1.186 239 A CA 1.968 53.990 52.037 -0.026 0.000 0.616 239 A CB -0.652 18.331 19.000 -0.027 0.000 0.823 239 A HN 0.624 nan 8.150 nan 0.000 0.442 240 E N 0.120 120.289 120.200 -0.052 0.000 2.106 240 E HA -0.010 4.340 4.350 -0.001 0.000 0.192 240 E C 1.930 178.491 176.600 -0.066 0.000 0.984 240 E CA 1.464 57.822 56.400 -0.071 0.000 0.806 240 E CB -0.779 28.869 29.700 -0.086 0.000 0.750 240 E HN 0.389 nan 8.360 nan 0.000 0.458 241 G N 0.766 109.540 108.800 -0.044 0.000 2.421 241 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.216 241 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.216 241 G C 1.755 176.661 174.900 0.010 0.000 1.171 241 G CA 0.886 45.980 45.100 -0.010 0.000 0.775 241 G HN 0.335 nan 8.290 nan 0.000 0.543 242 R N 0.214 120.718 120.500 0.007 0.000 2.083 242 R HA -0.042 4.298 4.340 -0.001 0.000 0.237 242 R C 2.585 178.883 176.300 -0.005 0.000 1.137 242 R CA 1.522 57.629 56.100 0.010 0.000 0.951 242 R CB -0.390 29.920 30.300 0.017 0.000 0.851 242 R HN 0.276 nan 8.270 nan 0.000 0.434 243 R N 0.556 121.042 120.500 -0.023 0.000 2.096 243 R HA -0.161 4.179 4.340 -0.001 0.000 0.240 243 R C 2.211 178.487 176.300 -0.041 0.000 1.139 243 R CA 2.032 58.109 56.100 -0.038 0.000 0.952 243 R CB -0.149 30.115 30.300 -0.060 0.000 0.854 243 R HN 0.319 nan 8.270 nan 0.000 0.436 244 R N -0.418 120.049 120.500 -0.055 0.000 2.092 244 R HA -0.034 4.306 4.340 -0.001 0.000 0.231 244 R C 2.328 178.663 176.300 0.058 0.000 1.119 244 R CA 1.151 57.208 56.100 -0.071 0.000 0.970 244 R CB -0.265 29.907 30.300 -0.215 0.000 0.864 244 R HN 0.241 nan 8.270 nan 0.000 0.440 245 A N 0.760 123.639 122.820 0.099 0.000 1.902 245 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 245 A C 2.327 179.924 177.584 0.021 0.000 1.181 245 A CA 1.269 53.362 52.037 0.094 0.000 0.623 245 A CB -0.462 18.541 19.000 0.006 0.000 0.818 245 A HN 0.105 nan 8.150 nan 0.000 0.443 246 V N -0.024 119.893 119.914 0.005 0.000 2.358 246 V HA -0.210 3.909 4.120 -0.001 0.000 0.246 246 V C 2.585 178.681 176.094 0.004 0.000 1.047 246 V CA 2.348 64.645 62.300 -0.004 0.000 1.035 246 V CB -0.622 31.196 31.823 -0.008 0.000 0.658 246 V HN 0.693 nan 8.190 nan 0.000 0.452 247 E N 0.222 120.425 120.200 0.005 0.000 2.150 247 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 247 E C 1.890 178.508 176.600 0.030 0.000 0.985 247 E CA 1.001 57.405 56.400 0.006 0.000 0.814 247 E CB -0.362 29.328 29.700 -0.017 0.000 0.752 247 E HN 0.440 nan 8.360 nan 0.000 0.466 248 L N -0.197 121.063 121.223 0.062 0.000 2.017 248 L HA 0.027 4.366 4.340 -0.001 0.000 0.208 248 L C 2.189 179.082 176.870 0.037 0.000 1.073 248 L CA 2.403 57.294 54.840 0.085 0.000 0.745 248 L CB -1.076 41.069 42.059 0.143 0.000 0.894 248 L HN 0.230 nan 8.230 nan 0.000 0.432 249 G N -0.957 107.852 108.800 0.015 0.000 2.442 249 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.219 249 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.219 249 G C 1.826 176.738 174.900 0.020 0.000 1.141 249 G CA 0.784 45.889 45.100 0.009 0.000 0.763 249 G HN 0.410 nan 8.290 nan 0.000 0.554 250 R N 0.345 120.856 120.500 0.019 0.000 2.115 250 R HA -0.002 4.337 4.340 -0.001 0.000 0.230 250 R C 2.131 178.447 176.300 0.026 0.000 1.111 250 R CA 1.063 57.175 56.100 0.019 0.000 0.976 250 R CB -0.269 30.039 30.300 0.013 0.000 0.870 250 R HN 0.319 nan 8.270 nan 0.000 0.445 251 N N 0.244 118.964 118.700 0.033 0.000 2.396 251 N HA -0.080 4.660 4.740 -0.001 0.000 0.180 251 N C 0.846 176.382 175.510 0.044 0.000 1.028 251 N CA 0.787 53.862 53.050 0.041 0.000 0.893 251 N CB 0.233 38.752 38.487 0.053 0.000 0.967 251 N HN 0.260 nan 8.380 nan 0.000 0.440 252 L N 0.914 122.161 121.223 0.040 0.000 2.818 252 L HA 0.211 4.550 4.340 -0.001 0.000 0.243 252 L C -0.399 176.494 176.870 0.039 0.000 1.185 252 L CA -0.207 54.659 54.840 0.042 0.000 0.988 252 L CB -0.106 41.979 42.059 0.043 0.000 1.292 252 L HN 0.004 nan 8.230 nan 0.000 0.519 253 N N -0.059 118.662 118.700 0.034 0.000 2.696 253 N HA -0.219 4.521 4.740 -0.001 0.000 0.256 253 N C 0.072 175.602 175.510 0.033 0.000 1.031 253 N CA 1.079 54.147 53.050 0.031 0.000 0.730 253 N CB -1.905 36.600 38.487 0.031 0.000 0.894 253 N HN 0.561 nan 8.380 nan 0.000 0.544 254 C N 0.443 119.762 119.300 0.032 0.000 2.351 254 C HA 0.574 5.034 4.460 -0.001 0.000 0.359 254 C C 1.213 176.220 174.990 0.029 0.000 1.193 254 C CA -0.741 58.299 59.018 0.037 0.000 2.270 254 C CB 0.919 28.681 27.740 0.036 0.000 2.369 254 C HN 0.529 nan 8.230 nan 0.000 0.553 255 N N 2.095 120.814 118.700 0.032 0.000 2.475 255 N HA 0.247 4.987 4.740 -0.001 0.000 0.267 255 N C 0.221 175.740 175.510 0.016 0.000 1.169 255 N CA 0.215 53.277 53.050 0.021 0.000 0.947 255 N CB 0.500 38.997 38.487 0.017 0.000 1.061 255 N HN 0.666 nan 8.380 nan 0.000 0.466 256 L N 2.706 123.935 121.223 0.010 0.000 2.769 256 L HA 0.196 4.536 4.340 -0.001 0.000 0.240 256 L C 1.310 178.182 176.870 0.002 0.000 1.163 256 L CA -0.290 54.553 54.840 0.006 0.000 0.962 256 L CB -0.111 41.950 42.059 0.004 0.000 1.258 256 L HN 0.430 nan 8.230 nan 0.000 0.513 257 N N 0.824 119.525 118.700 0.002 0.000 2.223 257 N HA -0.087 4.652 4.740 -0.001 0.000 0.185 257 N C 0.832 176.341 175.510 -0.002 0.000 1.016 257 N CA 1.095 54.145 53.050 -0.001 0.000 0.863 257 N CB 0.160 38.645 38.487 -0.003 0.000 0.983 257 N HN 0.460 nan 8.380 nan 0.000 0.429 258 S N -1.495 114.204 115.700 -0.001 0.000 2.607 258 S HA 0.353 4.822 4.470 -0.001 0.000 0.273 258 S C 0.003 174.603 174.600 0.000 0.000 1.148 258 S CA -0.868 57.331 58.200 -0.001 0.000 0.833 258 S CB 1.923 65.121 63.200 -0.003 0.000 1.130 258 S HN -0.239 nan 8.310 nan 0.000 0.470 259 D N 0.998 121.397 120.400 -0.002 0.000 2.144 259 D HA -0.045 4.594 4.640 -0.001 0.000 0.199 259 D C 1.515 177.821 176.300 0.009 0.000 0.984 259 D CA 1.569 55.565 54.000 -0.006 0.000 0.834 259 D CB -0.219 40.574 40.800 -0.011 0.000 0.955 259 D HN 0.652 nan 8.370 nan 0.000 0.465 260 E N 0.900 121.109 120.200 0.016 0.000 2.070 260 E HA -0.177 4.172 4.350 -0.001 0.000 0.197 260 E C 2.034 178.668 176.600 0.058 0.000 1.004 260 E CA 1.033 57.454 56.400 0.035 0.000 0.805 260 E CB -0.255 29.456 29.700 0.018 0.000 0.744 260 E HN 0.413 nan 8.360 nan 0.000 0.451 261 E N -0.417 119.802 120.200 0.032 0.000 2.107 261 E HA -0.108 4.242 4.350 -0.001 0.000 0.191 261 E C 1.874 178.519 176.600 0.075 0.000 0.982 261 E CA 0.404 56.827 56.400 0.039 0.000 0.809 261 E CB -0.055 29.647 29.700 0.005 0.000 0.756 261 E HN 0.075 nan 8.360 nan 0.000 0.459 262 L N 1.062 122.310 121.223 0.042 0.000 1.994 262 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 262 L C 1.951 178.843 176.870 0.036 0.000 1.071 262 L CA 1.665 56.520 54.840 0.026 0.000 0.745 262 L CB -0.467 41.584 42.059 -0.012 0.000 0.892 262 L HN 0.146 nan 8.230 nan 0.000 0.431 263 I N -0.703 119.885 120.570 0.030 0.000 2.208 263 I HA -0.353 3.817 4.170 -0.001 0.000 0.245 263 I C 2.645 178.848 176.117 0.143 0.000 1.097 263 I CA 1.655 62.988 61.300 0.054 0.000 1.363 263 I CB -0.748 37.285 38.000 0.055 0.000 1.051 263 I HN 0.502 nan 8.210 nan 0.000 0.413 264 H N 1.299 120.405 119.070 0.059 0.000 2.353 264 H HA -0.251 4.304 4.556 -0.001 0.000 0.300 264 H C 2.359 177.725 175.328 0.064 0.000 1.090 264 H CA 2.255 58.340 56.048 0.062 0.000 1.327 264 H CB -0.120 29.666 29.762 0.039 0.000 1.383 264 H HN 0.625 nan 8.280 nan 0.000 0.508 265 C N 1.464 120.899 119.300 0.226 0.000 2.425 265 C HA 0.000 4.460 4.460 -0.001 0.000 0.277 265 C C 3.162 178.198 174.990 0.077 0.000 1.280 265 C CA 0.872 59.984 59.018 0.156 0.000 1.744 265 C CB -1.242 26.574 27.740 0.127 0.000 1.989 265 C HN 0.521 nan 8.230 nan 0.000 0.491 266 L N -0.435 120.845 121.223 0.095 0.000 2.156 266 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 266 L C 2.925 179.897 176.870 0.170 0.000 1.095 266 L CA 0.988 55.913 54.840 0.141 0.000 0.770 266 L CB -0.476 41.675 42.059 0.154 0.000 0.914 266 L HN 0.399 nan 8.230 nan 0.000 0.439 267 R N -0.337 120.236 120.500 0.122 0.000 2.235 267 R HA -0.078 4.262 4.340 -0.001 0.000 0.213 267 R C 1.641 177.898 176.300 -0.071 0.000 1.059 267 R CA 0.469 56.567 56.100 -0.004 0.000 0.997 267 R CB 0.048 30.321 30.300 -0.044 0.000 0.884 267 R HN 0.275 nan 8.270 nan 0.000 0.462 268 E N 0.571 120.724 120.200 -0.078 0.000 2.442 268 E HA 0.016 4.366 4.350 -0.001 0.000 0.195 268 E C 0.007 176.605 176.600 -0.004 0.000 1.030 268 E CA 0.539 56.900 56.400 -0.065 0.000 0.869 268 E CB 0.295 29.956 29.700 -0.065 0.000 0.857 268 E HN 0.066 nan 8.360 nan 0.000 0.505 269 K N 1.549 121.964 120.400 0.024 0.000 2.237 269 K HA 0.199 4.519 4.320 -0.001 0.000 0.270 269 K C 0.431 177.068 176.600 0.060 0.000 1.015 269 K CA -0.186 56.130 56.287 0.048 0.000 0.949 269 K CB 1.015 33.553 32.500 0.064 0.000 0.976 269 K HN -0.100 nan 8.250 nan 0.000 0.472 270 K N 2.257 122.695 120.400 0.064 0.000 2.276 270 K HA 0.020 4.340 4.320 -0.001 0.000 0.259 270 K C -1.551 175.127 176.600 0.130 0.000 1.001 270 K CA -1.363 54.966 56.287 0.070 0.000 0.927 270 K CB 0.049 32.582 32.500 0.056 0.000 0.969 270 K HN 0.183 nan 8.250 nan 0.000 0.490 271 P HA -0.209 nan 4.420 nan 0.000 0.215 271 P C 1.086 178.574 177.300 0.313 0.000 1.157 271 P CA 1.178 64.455 63.100 0.296 0.000 0.868 271 P CB 0.235 31.954 31.700 0.031 0.000 0.788 272 Q N 0.177 120.083 119.800 0.177 0.000 2.297 272 Q HA -0.193 4.147 4.340 -0.001 0.000 0.208 272 Q C 1.819 177.916 176.000 0.161 0.000 0.981 272 Q CA 1.597 57.500 55.803 0.166 0.000 0.876 272 Q CB -0.826 27.977 28.738 0.109 0.000 0.921 272 Q HN 0.365 nan 8.270 nan 0.000 0.446 273 E N -0.968 119.316 120.200 0.139 0.000 2.106 273 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 273 E C 1.578 178.244 176.600 0.109 0.000 0.984 273 E CA 0.889 57.356 56.400 0.112 0.000 0.806 273 E CB 0.001 29.754 29.700 0.088 0.000 0.750 273 E HN 0.245 nan 8.360 nan 0.000 0.458 274 L N 0.697 121.984 121.223 0.108 0.000 2.072 274 L HA -0.118 4.222 4.340 -0.001 0.000 0.205 274 L C 2.204 179.124 176.870 0.084 0.000 1.079 274 L CA 1.337 56.196 54.840 0.032 0.000 0.752 274 L CB -0.361 41.614 42.059 -0.139 0.000 0.906 274 L HN 0.138 nan 8.230 nan 0.000 0.436 275 I N -0.532 120.148 120.570 0.184 0.000 2.286 275 I HA -0.275 3.895 4.170 -0.001 0.000 0.248 275 I C 1.737 178.017 176.117 0.272 0.000 1.115 275 I CA 1.007 62.462 61.300 0.258 0.000 1.392 275 I CB -0.414 37.789 38.000 0.339 0.000 1.065 275 I HN 0.248 nan 8.210 nan 0.000 0.418 276 D N 0.358 120.892 120.400 0.224 0.000 2.309 276 D HA -0.099 4.541 4.640 -0.001 0.000 0.212 276 D C 1.806 178.228 176.300 0.203 0.000 0.968 276 D CA 1.308 55.440 54.000 0.219 0.000 0.882 276 D CB 0.172 41.068 40.800 0.159 0.000 0.918 276 D HN 0.404 nan 8.370 nan 0.000 0.503 277 V N -3.033 116.982 119.914 0.169 0.000 3.432 277 V HA 0.208 4.327 4.120 -0.001 0.000 0.298 277 V C 1.724 177.900 176.094 0.136 0.000 1.464 277 V CA -0.169 62.218 62.300 0.146 0.000 1.046 277 V CB 0.443 32.330 31.823 0.107 0.000 0.887 277 V HN -0.108 nan 8.190 nan 0.000 0.441 278 E N 0.960 121.232 120.200 0.120 0.000 2.086 278 E HA -0.284 4.066 4.350 -0.001 0.000 0.200 278 E C 1.520 178.050 176.600 -0.118 0.000 1.012 278 E CA 2.820 59.244 56.400 0.040 0.000 0.812 278 E CB -0.229 29.410 29.700 -0.102 0.000 0.743 278 E HN 0.819 nan 8.360 nan 0.000 0.453 279 W N 0.742 122.035 121.300 -0.011 0.000 2.825 279 W HA 0.006 4.666 4.660 -0.001 0.000 0.243 279 W C 1.560 178.044 176.519 -0.058 0.000 1.293 279 W CA 0.044 57.340 57.345 -0.082 0.000 1.403 279 W CB 0.003 29.377 29.460 -0.145 0.000 1.134 279 W HN 0.101 nan 8.180 nan 0.000 0.666 280 N N 0.108 118.895 118.700 0.144 0.000 2.515 280 N HA -0.080 4.660 4.740 -0.001 0.000 0.185 280 N C 1.658 177.179 175.510 0.020 0.000 1.109 280 N CA 1.242 54.343 53.050 0.085 0.000 0.903 280 N CB -0.376 38.158 38.487 0.079 0.000 0.969 280 N HN 0.259 nan 8.380 nan 0.000 0.450 281 V N -2.277 117.617 119.914 -0.033 0.000 3.647 281 V HA 0.261 4.380 4.120 -0.001 0.000 0.279 281 V C 0.752 176.757 176.094 -0.148 0.000 1.314 281 V CA -0.146 62.096 62.300 -0.098 0.000 1.125 281 V CB -0.614 31.125 31.823 -0.141 0.000 0.907 281 V HN -0.020 nan 8.190 nan 0.000 0.434 282 L N 2.544 123.701 121.223 -0.109 0.000 2.490 282 L HA 0.189 4.528 4.340 -0.001 0.000 0.274 282 L C -0.228 176.545 176.870 -0.162 0.000 1.201 282 L CA -0.801 53.970 54.840 -0.114 0.000 0.869 282 L CB 0.686 42.742 42.059 -0.005 0.000 1.123 282 L HN 0.170 nan 8.230 nan 0.000 0.484 283 P HA -0.066 nan 4.420 nan 0.000 0.220 283 P C -0.112 176.812 177.300 -0.627 0.000 1.152 283 P CA 1.194 63.957 63.100 -0.562 0.000 0.812 283 P CB 0.288 31.469 31.700 -0.865 0.000 0.792 284 F N -0.408 119.544 119.950 0.002 0.000 2.598 284 F HA 0.388 4.915 4.527 -0.001 0.000 0.327 284 F C 0.494 176.304 175.800 0.017 0.000 1.057 284 F CA -1.657 56.351 58.000 0.013 0.000 0.957 284 F CB 0.197 39.212 39.000 0.024 0.000 1.278 284 F HN -0.339 nan 8.300 nan 0.000 0.484 285 D N 1.298 121.841 120.400 0.239 0.000 2.338 285 D HA 0.384 5.023 4.640 -0.001 0.000 0.255 285 D C -0.597 175.780 176.300 0.129 0.000 1.237 285 D CA 0.432 54.511 54.000 0.131 0.000 0.883 285 D CB 0.353 41.211 40.800 0.096 0.000 1.087 285 D HN 0.620 nan 8.370 nan 0.000 0.485 286 S N 3.156 118.920 115.700 0.106 0.000 2.688 286 S HA 0.606 5.075 4.470 -0.001 0.000 0.275 286 S C -0.745 173.893 174.600 0.063 0.000 1.175 286 S CA -1.036 57.218 58.200 0.090 0.000 0.818 286 S CB 1.060 64.337 63.200 0.129 0.000 1.157 286 S HN 0.447 nan 8.310 nan 0.000 0.482 287 I N 0.264 120.871 120.570 0.060 0.000 2.785 287 I HA 0.636 4.806 4.170 -0.001 0.000 0.302 287 I C -0.853 175.305 176.117 0.068 0.000 1.069 287 I CA -0.961 60.385 61.300 0.078 0.000 1.045 287 I CB 1.534 39.589 38.000 0.091 0.000 1.236 287 I HN 0.902 nan 8.210 nan 0.000 0.429 288 F N 4.781 124.623 119.950 -0.180 0.000 3.091 288 F HA -0.214 4.312 4.527 -0.001 0.000 0.288 288 F C -0.577 174.698 175.800 -0.875 0.000 0.907 288 F CA 0.549 58.174 58.000 -0.626 0.000 1.028 288 F CB -0.686 37.865 39.000 -0.748 0.000 1.022 288 F HN 0.472 nan 8.300 nan 0.000 0.665 289 R N 0.550 120.674 120.500 -0.626 0.000 2.575 289 R HA 0.584 4.923 4.340 -0.001 0.000 0.293 289 R C -0.952 175.000 176.300 -0.579 0.000 0.983 289 R CA -0.535 55.246 56.100 -0.532 0.000 0.887 289 R CB 1.216 31.454 30.300 -0.104 0.000 1.184 289 R HN -0.017 nan 8.270 nan 0.000 0.445 290 F N -0.505 119.561 119.950 0.193 0.000 2.546 290 F HA 0.382 4.908 4.527 -0.001 0.000 0.320 290 F C 1.647 177.357 175.800 -0.150 0.000 1.076 290 F CA -0.906 57.118 58.000 0.039 0.000 0.928 290 F CB 1.583 40.710 39.000 0.211 0.000 1.189 290 F HN 0.354 nan 8.300 nan 0.000 0.465 291 S N 0.772 116.316 115.700 -0.259 0.000 2.354 291 S HA -0.091 4.379 4.470 -0.001 0.000 0.219 291 S C 0.166 174.324 174.600 -0.737 0.000 1.035 291 S CA 1.313 59.156 58.200 -0.596 0.000 1.037 291 S CB -0.291 62.379 63.200 -0.884 0.000 0.956 291 S HN 0.351 nan 8.310 nan 0.000 0.428 292 F N 1.791 121.737 119.950 -0.006 0.000 2.308 292 F HA 0.538 5.064 4.527 -0.001 0.000 0.370 292 F C 0.106 175.914 175.800 0.013 0.000 1.100 292 F CA -0.951 57.084 58.000 0.058 0.000 1.108 292 F CB 0.908 39.980 39.000 0.120 0.000 1.293 292 F HN -0.056 nan 8.300 nan 0.000 0.478 293 V N 0.916 120.810 119.914 -0.034 0.000 3.158 293 V HA 0.765 4.885 4.120 -0.001 0.000 0.311 293 V C -2.873 172.953 176.094 -0.448 0.000 1.181 293 V CA -3.340 58.655 62.300 -0.508 0.000 1.054 293 V CB 1.966 33.625 31.823 -0.274 0.000 1.085 293 V HN 0.244 nan 8.190 nan 0.000 0.446 294 P HA 0.226 nan 4.420 nan 0.000 0.267 294 P C -0.893 176.338 177.300 -0.116 0.000 1.201 294 P CA 0.319 63.266 63.100 -0.254 0.000 0.775 294 P CB 0.663 32.140 31.700 -0.371 0.000 0.854 295 V N 4.209 124.146 119.914 0.038 0.000 2.656 295 V HA 0.335 4.454 4.120 -0.001 0.000 0.307 295 V C -0.528 175.628 176.094 0.104 0.000 1.051 295 V CA -1.032 61.275 62.300 0.013 0.000 0.893 295 V CB 1.406 33.244 31.823 0.024 0.000 0.999 295 V HN 0.226 nan 8.190 nan 0.000 0.426 296 I N 7.014 127.575 120.570 -0.015 0.000 2.453 296 I HA 0.182 4.352 4.170 -0.001 0.000 0.300 296 I C 0.954 177.089 176.117 0.029 0.000 1.159 296 I CA 0.344 61.665 61.300 0.035 0.000 1.379 296 I CB -0.209 37.731 38.000 -0.100 0.000 1.460 296 I HN 0.834 nan 8.210 nan 0.000 0.601 297 D N 3.363 123.843 120.400 0.133 0.000 2.360 297 D HA 0.066 4.706 4.640 -0.001 0.000 0.210 297 D C 1.416 177.742 176.300 0.044 0.000 1.047 297 D CA 0.694 54.692 54.000 -0.004 0.000 0.854 297 D CB 0.436 41.312 40.800 0.126 0.000 0.936 297 D HN 0.650 nan 8.370 nan 0.000 0.514 298 G N 0.364 109.232 108.800 0.113 0.000 2.179 298 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.260 298 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.260 298 G C 0.753 175.721 174.900 0.114 0.000 0.977 298 G CA 0.669 45.833 45.100 0.106 0.000 0.641 298 G HN 0.476 nan 8.290 nan 0.000 0.533 299 E N -1.530 118.750 120.200 0.132 0.000 2.592 299 E HA 0.373 4.723 4.350 -0.001 0.000 0.184 299 E C 1.762 178.384 176.600 0.037 0.000 1.056 299 E CA -0.184 56.270 56.400 0.089 0.000 1.151 299 E CB -0.066 29.703 29.700 0.114 0.000 1.435 299 E HN 0.200 nan 8.360 nan 0.000 0.496 300 F N 0.983 120.850 119.950 -0.138 0.000 2.171 300 F HA -0.028 4.499 4.527 -0.001 0.000 0.300 300 F C 0.178 175.679 175.800 -0.498 0.000 1.090 300 F CA 1.114 58.891 58.000 -0.371 0.000 1.293 300 F CB 0.302 38.964 39.000 -0.563 0.000 1.013 300 F HN -0.120 nan 8.300 nan 0.000 0.486 301 F N 0.759 120.859 119.950 0.251 0.000 2.382 301 F HA 0.366 4.893 4.527 -0.001 0.000 0.361 301 F C -1.607 174.234 175.800 0.069 0.000 1.109 301 F CA -2.990 55.097 58.000 0.146 0.000 1.031 301 F CB 0.605 39.684 39.000 0.132 0.000 1.234 301 F HN -0.247 nan 8.300 nan 0.000 0.445 302 P HA -0.137 nan 4.420 nan 0.000 0.215 302 P C 0.540 177.900 177.300 0.100 0.000 1.163 302 P CA 1.997 65.157 63.100 0.100 0.000 0.894 302 P CB 0.179 31.915 31.700 0.060 0.000 0.791 303 T N -6.208 108.412 114.554 0.110 0.000 2.626 303 T HA 0.468 4.817 4.350 -0.001 0.000 0.279 303 T C -0.193 174.543 174.700 0.060 0.000 0.983 303 T CA -0.625 61.517 62.100 0.069 0.000 1.059 303 T CB 0.591 69.486 68.868 0.044 0.000 1.396 303 T HN -0.007 nan 8.240 nan 0.000 0.519 304 S N 0.093 115.804 115.700 0.019 0.000 2.568 304 S HA 0.189 4.659 4.470 -0.001 0.000 0.282 304 S C 1.489 176.080 174.600 -0.014 0.000 1.338 304 S CA -0.742 57.446 58.200 -0.020 0.000 1.045 304 S CB -0.353 62.834 63.200 -0.022 0.000 0.873 304 S HN 0.645 nan 8.310 nan 0.000 0.516 305 L N 0.511 121.687 121.223 -0.079 0.000 2.079 305 L HA -0.110 4.230 4.340 -0.001 0.000 0.210 305 L C 2.910 179.799 176.870 0.032 0.000 1.081 305 L CA 1.864 56.673 54.840 -0.053 0.000 0.752 305 L CB -0.745 41.219 42.059 -0.157 0.000 0.896 305 L HN 0.784 nan 8.230 nan 0.000 0.433 306 E N 0.629 120.846 120.200 0.029 0.000 2.077 306 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 306 E C 2.267 178.917 176.600 0.084 0.000 0.989 306 E CA 1.666 58.116 56.400 0.084 0.000 0.800 306 E CB -0.070 29.671 29.700 0.068 0.000 0.746 306 E HN 0.490 nan 8.360 nan 0.000 0.452 307 S N -0.556 115.178 115.700 0.055 0.000 2.406 307 S HA -0.134 4.336 4.470 -0.001 0.000 0.228 307 S C 2.125 176.760 174.600 0.058 0.000 1.020 307 S CA 1.155 59.385 58.200 0.050 0.000 0.965 307 S CB -0.337 62.882 63.200 0.032 0.000 0.798 307 S HN 0.231 nan 8.310 nan 0.000 0.488 308 M N 1.035 120.683 119.600 0.081 0.000 2.099 308 M HA 0.051 4.530 4.480 -0.001 0.000 0.262 308 M C 2.216 178.633 176.300 0.194 0.000 1.067 308 M CA 1.418 56.788 55.300 0.118 0.000 1.124 308 M CB -0.665 32.036 32.600 0.168 0.000 1.353 308 M HN 0.295 nan 8.290 nan 0.000 0.410 309 L N -0.082 121.263 121.223 0.203 0.000 2.131 309 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 309 L C 2.192 179.192 176.870 0.216 0.000 1.092 309 L CA 0.811 55.792 54.840 0.236 0.000 0.759 309 L CB -0.781 41.336 42.059 0.097 0.000 0.903 309 L HN 0.374 nan 8.230 nan 0.000 0.435 310 N N -0.331 118.449 118.700 0.133 0.000 2.216 310 N HA -0.116 4.624 4.740 -0.001 0.000 0.183 310 N C 1.915 177.475 175.510 0.083 0.000 1.017 310 N CA 1.653 54.780 53.050 0.128 0.000 0.861 310 N CB -0.004 38.543 38.487 0.101 0.000 0.986 310 N HN 0.330 nan 8.380 nan 0.000 0.428 311 S N -1.111 114.560 115.700 -0.048 0.000 2.575 311 S HA 0.260 4.729 4.470 -0.001 0.000 0.215 311 S C 1.253 175.477 174.600 -0.627 0.000 0.966 311 S CA 0.395 58.491 58.200 -0.173 0.000 0.911 311 S CB 0.271 63.402 63.200 -0.114 0.000 0.780 311 S HN 0.358 nan 8.310 nan 0.000 0.514 312 G N 2.002 110.193 108.800 -1.014 0.000 2.160 312 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.251 312 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.251 312 G C -0.025 173.999 174.900 -1.461 0.000 1.008 312 G CA 0.069 43.916 45.100 -2.089 0.000 0.724 312 G HN 0.595 nan 8.290 nan 0.000 0.514 313 N N 0.626 118.915 118.700 -0.685 0.000 2.895 313 N HA 0.513 5.252 4.740 -0.001 0.000 0.277 313 N C -0.141 175.313 175.510 -0.095 0.000 1.185 313 N CA -0.072 52.774 53.050 -0.340 0.000 1.106 313 N CB -0.878 37.539 38.487 -0.117 0.000 1.422 313 N HN 0.728 nan 8.380 nan 0.000 0.521 314 F N -1.145 118.744 119.950 -0.102 0.000 2.842 314 F HA 0.383 4.910 4.527 -0.000 0.000 0.319 314 F C -0.406 175.405 175.800 0.018 0.000 1.159 314 F CA -1.426 56.583 58.000 0.016 0.000 0.902 314 F CB 0.601 39.671 39.000 0.116 0.000 1.311 314 F HN -0.151 nan 8.300 nan 0.000 0.453 315 K N 1.734 122.371 120.400 0.396 0.000 2.451 315 K HA 0.230 4.549 4.320 -0.001 0.000 0.280 315 K C -1.087 175.747 176.600 0.390 0.000 1.020 315 K CA -0.150 56.285 56.287 0.247 0.000 1.008 315 K CB 0.519 33.114 32.500 0.157 0.000 0.917 315 K HN 0.722 nan 8.250 nan 0.000 0.478 316 K N 2.834 123.339 120.400 0.176 0.000 2.281 316 K HA 0.200 4.519 4.320 -0.001 0.000 0.272 316 K C -0.325 176.386 176.600 0.185 0.000 1.048 316 K CA -0.331 56.058 56.287 0.170 0.000 0.898 316 K CB 1.907 34.416 32.500 0.015 0.000 1.128 316 K HN 0.657 nan 8.250 nan 0.000 0.460 317 T N 1.326 116.073 114.554 0.322 0.000 2.627 317 T HA 0.240 4.590 4.350 -0.001 0.000 0.294 317 T C -1.490 173.403 174.700 0.322 0.000 1.230 317 T CA -0.665 61.578 62.100 0.237 0.000 1.084 317 T CB 0.716 69.692 68.868 0.178 0.000 1.693 317 T HN 0.397 nan 8.240 nan 0.000 0.465 318 Q N 1.050 121.006 119.800 0.260 0.000 2.222 318 Q HA 0.756 5.095 4.340 -0.001 0.000 0.252 318 Q C -0.396 175.881 176.000 0.461 0.000 0.926 318 Q CA -0.471 55.540 55.803 0.347 0.000 0.899 318 Q CB 1.397 30.327 28.738 0.319 0.000 1.250 318 Q HN 0.677 nan 8.270 nan 0.000 0.441 319 I N -1.367 119.417 120.570 0.357 0.000 2.730 319 I HA 0.708 4.878 4.170 -0.001 0.000 0.298 319 I C -1.467 174.537 176.117 -0.188 0.000 1.089 319 I CA -1.378 60.007 61.300 0.142 0.000 1.041 319 I CB 1.871 39.764 38.000 -0.177 0.000 1.235 319 I HN 0.532 nan 8.210 nan 0.000 0.423 320 L N 6.775 127.682 121.223 -0.527 0.000 2.409 320 L HA 0.789 5.129 4.340 -0.001 0.000 0.272 320 L C -1.280 175.391 176.870 -0.331 0.000 0.980 320 L CA -0.520 53.886 54.840 -0.724 0.000 0.826 320 L CB 1.657 42.761 42.059 -1.592 0.000 1.268 320 L HN 0.847 nan 8.230 nan 0.000 0.407 321 L N 2.338 123.486 121.223 -0.125 0.000 2.720 321 L HA 1.106 5.446 4.340 -0.001 0.000 0.261 321 L C -0.821 175.859 176.870 -0.318 0.000 1.046 321 L CA -0.425 54.374 54.840 -0.067 0.000 0.886 321 L CB 1.903 43.910 42.059 -0.086 0.000 1.493 321 L HN 0.672 nan 8.230 nan 0.000 0.407 322 G N -0.165 108.248 108.800 -0.646 0.000 2.342 322 G HA2 0.583 4.543 3.960 -0.001 0.000 0.297 322 G HA3 0.583 4.543 3.960 -0.001 0.000 0.297 322 G C -1.506 173.053 174.900 -0.568 0.000 1.313 322 G CA 0.022 44.379 45.100 -1.239 0.000 0.830 322 G HN 1.507 nan 8.290 nan 0.000 0.506 323 V N -2.660 117.087 119.914 -0.279 0.000 3.167 323 V HA 0.876 4.995 4.120 -0.001 0.000 0.310 323 V C -1.046 175.153 176.094 0.176 0.000 1.207 323 V CA -1.431 60.918 62.300 0.082 0.000 1.059 323 V CB 1.886 33.779 31.823 0.117 0.000 1.079 323 V HN 0.685 nan 8.190 nan 0.000 0.446 324 N N 0.749 119.558 118.700 0.181 0.000 2.466 324 N HA 0.435 5.174 4.740 -0.001 0.000 0.294 324 N C 0.532 176.005 175.510 -0.062 0.000 1.129 324 N CA -0.553 52.581 53.050 0.140 0.000 0.931 324 N CB 1.843 40.515 38.487 0.308 0.000 1.193 324 N HN 0.917 nan 8.380 nan 0.000 0.500 325 K N 0.148 120.403 120.400 -0.243 0.000 2.063 325 K HA -0.087 4.233 4.320 -0.001 0.000 0.208 325 K C -0.635 176.059 176.600 0.157 0.000 1.048 325 K CA 1.304 57.537 56.287 -0.090 0.000 0.928 325 K CB 0.194 32.672 32.500 -0.037 0.000 0.713 325 K HN 0.521 nan 8.250 nan 0.000 0.442 326 D N 1.090 121.582 120.400 0.154 0.000 2.795 326 D HA 0.039 4.678 4.640 -0.001 0.000 0.335 326 D C 0.188 176.620 176.300 0.220 0.000 1.262 326 D CA -0.085 54.027 54.000 0.187 0.000 0.885 326 D CB 1.216 42.109 40.800 0.155 0.000 1.047 326 D HN 0.163 nan 8.370 nan 0.000 0.500 327 E N 0.497 120.844 120.200 0.245 0.000 2.160 327 E HA -0.129 4.221 4.350 -0.001 0.000 0.195 327 E C 1.965 178.751 176.600 0.309 0.000 0.991 327 E CA 0.744 57.326 56.400 0.303 0.000 0.810 327 E CB 0.117 29.976 29.700 0.265 0.000 0.742 327 E HN 0.417 nan 8.360 nan 0.000 0.466 328 G N 1.313 110.267 108.800 0.257 0.000 2.551 328 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.216 328 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.216 328 G C 1.728 176.802 174.900 0.290 0.000 1.137 328 G CA 0.854 46.133 45.100 0.299 0.000 0.798 328 G HN 0.365 nan 8.290 nan 0.000 0.536 329 S N 0.632 116.457 115.700 0.207 0.000 2.387 329 S HA -0.211 4.259 4.470 -0.001 0.000 0.230 329 S C 2.068 176.660 174.600 -0.013 0.000 1.035 329 S CA 1.253 59.531 58.200 0.130 0.000 1.014 329 S CB -0.593 62.603 63.200 -0.007 0.000 0.836 329 S HN 0.190 nan 8.310 nan 0.000 0.466 330 F N 1.936 121.744 119.950 -0.236 0.000 2.095 330 F HA 0.043 4.569 4.527 -0.001 0.000 0.298 330 F C 1.833 177.308 175.800 -0.542 0.000 1.104 330 F CA 1.050 58.727 58.000 -0.538 0.000 1.232 330 F CB -0.583 37.907 39.000 -0.850 0.000 0.987 330 F HN 0.178 nan 8.300 nan 0.000 0.475 331 F N -0.594 119.379 119.950 0.038 0.000 2.325 331 F HA -0.101 4.426 4.527 -0.001 0.000 0.299 331 F C 2.123 177.904 175.800 -0.031 0.000 1.090 331 F CA 0.781 58.758 58.000 -0.038 0.000 1.392 331 F CB -0.957 37.956 39.000 -0.144 0.000 1.053 331 F HN -0.095 nan 8.300 nan 0.000 0.521 332 L N -0.812 120.412 121.223 0.002 0.000 2.095 332 L HA -0.132 4.207 4.340 -0.001 0.000 0.204 332 L C 2.408 179.142 176.870 -0.226 0.000 1.080 332 L CA 0.446 55.066 54.840 -0.366 0.000 0.759 332 L CB -0.596 40.896 42.059 -0.945 0.000 0.914 332 L HN 0.148 nan 8.230 nan 0.000 0.439 333 L N -1.007 120.269 121.223 0.088 0.000 2.042 333 L HA -0.250 4.089 4.340 -0.001 0.000 0.210 333 L C 2.311 179.343 176.870 0.271 0.000 1.076 333 L CA 2.030 57.072 54.840 0.336 0.000 0.749 333 L CB -0.644 41.586 42.059 0.286 0.000 0.893 333 L HN 0.116 nan 8.230 nan 0.000 0.432 334 Y N -0.636 119.692 120.300 0.047 0.000 2.395 334 Y HA 0.197 4.747 4.550 -0.001 0.000 0.293 334 Y C 2.241 178.143 175.900 0.005 0.000 1.123 334 Y CA 0.967 59.093 58.100 0.044 0.000 1.227 334 Y CB -0.174 38.300 38.460 0.023 0.000 1.012 334 Y HN 0.297 nan 8.280 nan 0.000 0.552 335 G N -1.812 107.073 108.800 0.142 0.000 3.815 335 G HA2 0.464 4.423 3.960 -0.001 0.000 0.265 335 G HA3 0.464 4.423 3.960 -0.001 0.000 0.265 335 G C -0.283 174.652 174.900 0.059 0.000 1.026 335 G CA 0.339 45.481 45.100 0.071 0.000 0.868 335 G HN 0.265 nan 8.290 nan 0.000 0.476 336 A N 1.714 124.570 122.820 0.061 0.000 2.317 336 A HA 0.818 5.138 4.320 -0.001 0.000 0.327 336 A C -2.471 175.266 177.584 0.255 0.000 1.178 336 A CA -1.598 50.502 52.037 0.105 0.000 0.817 336 A CB 1.298 20.291 19.000 -0.011 0.000 1.189 336 A HN 0.060 nan 8.150 nan 0.000 0.489 337 P HA 0.233 nan 4.420 nan 0.000 0.268 337 P C 0.873 178.262 177.300 0.149 0.000 1.204 337 P CA 1.524 64.710 63.100 0.143 0.000 0.768 337 P CB 1.070 32.819 31.700 0.080 0.000 0.842 338 G N 1.923 110.746 108.800 0.038 0.000 2.254 338 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.225 338 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.225 338 G C -0.244 174.465 174.900 -0.318 0.000 1.003 338 G CA -0.477 44.525 45.100 -0.164 0.000 0.622 338 G HN 0.432 nan 8.290 nan 0.000 0.507 339 F N 2.228 122.113 119.950 -0.107 0.000 2.404 339 F HA 0.739 5.265 4.527 -0.001 0.000 0.339 339 F C 0.659 176.455 175.800 -0.007 0.000 1.105 339 F CA -0.409 57.495 58.000 -0.159 0.000 1.087 339 F CB 2.148 41.097 39.000 -0.084 0.000 1.143 339 F HN 0.038 nan 8.300 nan 0.000 0.491 340 S N 1.747 117.552 115.700 0.175 0.000 2.546 340 S HA 0.273 4.743 4.470 -0.001 0.000 0.274 340 S C 0.632 175.450 174.600 0.364 0.000 1.121 340 S CA -1.132 57.200 58.200 0.220 0.000 0.887 340 S CB 2.272 65.526 63.200 0.090 0.000 1.094 340 S HN 0.721 nan 8.310 nan 0.000 0.474 341 K N 0.808 121.363 120.400 0.258 0.000 2.097 341 K HA -0.077 4.242 4.320 -0.001 0.000 0.205 341 K C -0.037 176.625 176.600 0.103 0.000 1.050 341 K CA 1.451 57.812 56.287 0.125 0.000 0.938 341 K CB 0.029 32.319 32.500 -0.351 0.000 0.718 341 K HN 0.476 nan 8.250 nan 0.000 0.442 342 D N 0.475 120.910 120.400 0.059 0.000 2.342 342 D HA 0.016 4.655 4.640 -0.001 0.000 0.221 342 D C 0.021 176.365 176.300 0.074 0.000 1.101 342 D CA 0.149 54.169 54.000 0.033 0.000 0.837 342 D CB 0.726 41.511 40.800 -0.025 0.000 0.938 342 D HN 0.194 nan 8.370 nan 0.000 0.508 343 S N -1.040 114.734 115.700 0.122 0.000 2.671 343 S HA 0.329 4.798 4.470 -0.001 0.000 0.299 343 S C 0.786 175.424 174.600 0.063 0.000 1.116 343 S CA -0.720 57.510 58.200 0.050 0.000 0.912 343 S CB 2.438 65.622 63.200 -0.027 0.000 1.130 343 S HN -0.139 nan 8.310 nan 0.000 0.501 344 E N 0.663 120.848 120.200 -0.026 0.000 2.418 344 E HA 0.042 4.392 4.350 -0.001 0.000 0.197 344 E C -0.327 176.015 176.600 -0.430 0.000 1.026 344 E CA 0.512 56.876 56.400 -0.061 0.000 0.862 344 E CB -0.225 29.454 29.700 -0.035 0.000 0.799 344 E HN 0.724 nan 8.360 nan 0.000 0.518 345 S N 1.098 116.493 115.700 -0.510 0.000 3.706 345 S HA -0.167 4.302 4.470 -0.001 0.000 0.363 345 S C -0.243 173.957 174.600 -0.666 0.000 0.999 345 S CA 0.653 58.391 58.200 -0.770 0.000 1.143 345 S CB -1.204 61.125 63.200 -1.452 0.000 0.902 345 S HN 0.279 nan 8.310 nan 0.000 0.476 346 K N 0.951 121.114 120.400 -0.395 0.000 2.379 346 K HA 0.272 4.591 4.320 -0.001 0.000 0.284 346 K C 0.361 176.766 176.600 -0.325 0.000 1.044 346 K CA -0.074 56.038 56.287 -0.291 0.000 0.974 346 K CB 0.386 32.780 32.500 -0.177 0.000 0.962 346 K HN 0.223 nan 8.250 nan 0.000 0.474 347 I N 2.615 123.004 120.570 -0.302 0.000 2.392 347 I HA 0.073 4.243 4.170 -0.001 0.000 0.295 347 I C 1.005 177.051 176.117 -0.117 0.000 0.985 347 I CA -0.335 60.813 61.300 -0.253 0.000 1.221 347 I CB 1.265 39.118 38.000 -0.245 0.000 1.366 347 I HN 0.677 nan 8.210 nan 0.000 0.467 348 S N 6.678 122.329 115.700 -0.082 0.000 2.634 348 S HA 0.361 4.831 4.470 -0.001 0.000 0.261 348 S C 1.201 175.812 174.600 0.018 0.000 1.271 348 S CA -0.549 57.627 58.200 -0.040 0.000 0.985 348 S CB 1.469 64.651 63.200 -0.031 0.000 0.968 348 S HN 0.509 nan 8.310 nan 0.000 0.568 349 R N 0.897 121.404 120.500 0.012 0.000 2.092 349 R HA -0.054 4.286 4.340 -0.001 0.000 0.231 349 R C 2.138 178.516 176.300 0.129 0.000 1.119 349 R CA 1.393 57.526 56.100 0.055 0.000 0.970 349 R CB -0.947 29.373 30.300 0.032 0.000 0.864 349 R HN 0.761 nan 8.270 nan 0.000 0.440 350 E N 0.875 121.122 120.200 0.079 0.000 2.021 350 E HA -0.199 4.150 4.350 -0.001 0.000 0.200 350 E C 1.578 178.230 176.600 0.087 0.000 1.015 350 E CA 1.288 57.732 56.400 0.073 0.000 0.824 350 E CB -0.438 29.286 29.700 0.040 0.000 0.762 350 E HN 0.301 nan 8.360 nan 0.000 0.454 351 D N -0.016 120.426 120.400 0.070 0.000 2.218 351 D HA -0.108 4.532 4.640 -0.001 0.000 0.204 351 D C 1.731 178.100 176.300 0.116 0.000 0.976 351 D CA 0.372 54.414 54.000 0.070 0.000 0.853 351 D CB -0.387 40.423 40.800 0.016 0.000 0.939 351 D HN 0.089 nan 8.370 nan 0.000 0.481 352 F N 1.068 121.026 119.950 0.013 0.000 2.075 352 F HA -0.121 4.405 4.527 -0.001 0.000 0.297 352 F C 2.313 178.141 175.800 0.047 0.000 1.113 352 F CA 1.306 59.325 58.000 0.032 0.000 1.218 352 F CB -0.203 38.794 39.000 -0.005 0.000 0.984 352 F HN -0.177 nan 8.300 nan 0.000 0.472 353 M N -0.865 118.823 119.600 0.146 0.000 2.296 353 M HA -0.179 4.301 4.480 -0.001 0.000 0.265 353 M C 2.262 178.546 176.300 -0.027 0.000 1.064 353 M CA 1.236 56.563 55.300 0.045 0.000 1.109 353 M CB -0.482 32.205 32.600 0.145 0.000 1.396 353 M HN 0.101 nan 8.290 nan 0.000 0.430 354 S N 0.390 116.091 115.700 0.002 0.000 2.368 354 S HA -0.047 4.422 4.470 -0.001 0.000 0.224 354 S C 1.968 176.550 174.600 -0.029 0.000 1.029 354 S CA 1.370 59.572 58.200 0.002 0.000 0.988 354 S CB -0.461 62.758 63.200 0.032 0.000 0.838 354 S HN 0.670 nan 8.310 nan 0.000 0.462 355 G N 0.920 109.687 108.800 -0.054 0.000 2.408 355 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.217 355 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.217 355 G C 1.434 176.239 174.900 -0.159 0.000 1.150 355 G CA 0.862 45.917 45.100 -0.075 0.000 0.776 355 G HN 0.413 nan 8.290 nan 0.000 0.542 356 V N 0.875 120.631 119.914 -0.265 0.000 2.343 356 V HA -0.145 3.974 4.120 -0.001 0.000 0.247 356 V C 2.714 178.735 176.094 -0.121 0.000 1.051 356 V CA 2.249 64.411 62.300 -0.230 0.000 1.036 356 V CB -0.294 31.381 31.823 -0.247 0.000 0.654 356 V HN 0.373 nan 8.190 nan 0.000 0.451 357 K N 0.112 120.456 120.400 -0.093 0.000 2.057 357 K HA -0.152 4.167 4.320 -0.001 0.000 0.207 357 K C 1.778 178.338 176.600 -0.066 0.000 1.049 357 K CA 1.583 57.825 56.287 -0.075 0.000 0.931 357 K CB -0.542 31.930 32.500 -0.045 0.000 0.714 357 K HN 0.258 nan 8.250 nan 0.000 0.440 358 L N 0.418 121.615 121.223 -0.043 0.000 2.156 358 L HA -0.010 4.330 4.340 -0.001 0.000 0.208 358 L C 2.042 178.906 176.870 -0.010 0.000 1.095 358 L CA 1.561 56.393 54.840 -0.012 0.000 0.770 358 L CB -0.672 41.388 42.059 0.002 0.000 0.914 358 L HN 0.125 nan 8.230 nan 0.000 0.439 359 S N -1.636 114.041 115.700 -0.038 0.000 2.414 359 S HA 0.041 4.511 4.470 -0.001 0.000 0.227 359 S C 0.922 175.501 174.600 -0.035 0.000 1.022 359 S CA 0.478 58.662 58.200 -0.027 0.000 0.958 359 S CB 0.199 63.361 63.200 -0.064 0.000 0.797 359 S HN 0.144 nan 8.310 nan 0.000 0.493 360 V N 3.361 123.215 119.914 -0.100 0.000 2.361 360 V HA 0.206 4.325 4.120 -0.001 0.000 0.252 360 V C -1.709 174.230 176.094 -0.258 0.000 0.986 360 V CA -1.397 60.776 62.300 -0.212 0.000 1.033 360 V CB 0.826 32.485 31.823 -0.275 0.000 1.282 360 V HN 0.189 nan 8.190 nan 0.000 0.514 361 P HA -0.212 nan 4.420 nan 0.000 0.217 361 P C 1.212 178.119 177.300 -0.657 0.000 1.148 361 P CA 1.666 64.592 63.100 -0.289 0.000 0.828 361 P CB 0.025 31.673 31.700 -0.086 0.000 0.783 362 H N -0.696 118.061 119.070 -0.522 0.000 2.556 362 H HA 0.397 4.952 4.556 -0.001 0.000 0.268 362 H C 0.545 175.697 175.328 -0.294 0.000 0.996 362 H CA -0.012 55.746 56.048 -0.484 0.000 1.157 362 H CB -0.804 28.849 29.762 -0.182 0.000 1.355 362 H HN 0.002 nan 8.280 nan 0.000 0.597 363 A N 2.488 124.963 122.820 -0.576 0.000 2.363 363 A HA 0.249 4.568 4.320 -0.001 0.000 0.270 363 A C 0.367 177.812 177.584 -0.232 0.000 1.121 363 A CA -0.503 51.299 52.037 -0.391 0.000 0.800 363 A CB 0.345 19.115 19.000 -0.384 0.000 1.052 363 A HN 0.652 nan 8.150 nan 0.000 0.493 364 N N 1.617 120.221 118.700 -0.159 0.000 2.327 364 N HA 0.085 4.825 4.740 -0.001 0.000 0.257 364 N C 0.029 175.490 175.510 -0.082 0.000 1.281 364 N CA -0.238 52.750 53.050 -0.102 0.000 0.942 364 N CB 0.151 38.594 38.487 -0.073 0.000 1.199 364 N HN 0.477 nan 8.380 nan 0.000 0.532 365 D N -0.798 119.572 120.400 -0.051 0.000 2.133 365 D HA -0.144 4.496 4.640 -0.001 0.000 0.195 365 D C 1.666 177.957 176.300 -0.015 0.000 0.997 365 D CA 0.886 54.869 54.000 -0.028 0.000 0.840 365 D CB -0.256 40.536 40.800 -0.014 0.000 0.947 365 D HN 0.479 nan 8.370 nan 0.000 0.452 366 L N 0.428 121.639 121.223 -0.020 0.000 2.083 366 L HA -0.001 4.338 4.340 -0.001 0.000 0.209 366 L C 2.148 179.018 176.870 0.000 0.000 1.083 366 L CA 2.018 56.856 54.840 -0.004 0.000 0.752 366 L CB -0.866 41.182 42.059 -0.018 0.000 0.899 366 L HN 0.075 nan 8.230 nan 0.000 0.433 367 G N -0.536 108.237 108.800 -0.046 0.000 2.421 367 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.216 367 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.216 367 G C 1.592 176.485 174.900 -0.012 0.000 1.171 367 G CA 1.015 46.077 45.100 -0.063 0.000 0.775 367 G HN 0.424 nan 8.290 nan 0.000 0.543 368 L N 0.484 121.690 121.223 -0.028 0.000 2.042 368 L HA -0.097 4.243 4.340 -0.001 0.000 0.210 368 L C 2.554 179.464 176.870 0.067 0.000 1.076 368 L CA 1.302 56.142 54.840 0.000 0.000 0.749 368 L CB -0.422 41.626 42.059 -0.019 0.000 0.893 368 L HN 0.104 nan 8.230 nan 0.000 0.432 369 D N 0.133 120.578 120.400 0.074 0.000 2.117 369 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 369 D C 2.239 178.629 176.300 0.151 0.000 0.987 369 D CA 1.494 55.563 54.000 0.114 0.000 0.829 369 D CB -0.074 40.778 40.800 0.085 0.000 0.961 369 D HN 0.315 nan 8.370 nan 0.000 0.460 370 A N 0.607 123.528 122.820 0.168 0.000 1.883 370 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 370 A C 2.555 180.260 177.584 0.201 0.000 1.186 370 A CA 1.456 53.652 52.037 0.265 0.000 0.624 370 A CB -0.832 18.418 19.000 0.415 0.000 0.822 370 A HN 0.146 nan 8.150 nan 0.000 0.444 371 V N -0.377 119.663 119.914 0.209 0.000 2.261 371 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 371 V C 2.754 178.939 176.094 0.151 0.000 1.047 371 V CA 2.555 64.910 62.300 0.093 0.000 1.015 371 V CB -1.393 30.510 31.823 0.133 0.000 0.642 371 V HN 0.607 nan 8.190 nan 0.000 0.446 372 T N 0.620 115.297 114.554 0.207 0.000 2.665 372 T HA -0.242 4.107 4.350 -0.001 0.000 0.268 372 T C 1.880 176.760 174.700 0.300 0.000 1.035 372 T CA 2.130 64.431 62.100 0.335 0.000 1.151 372 T CB -0.413 68.656 68.868 0.336 0.000 0.862 372 T HN 0.310 nan 8.240 nan 0.000 0.438 373 L N 1.208 122.589 121.223 0.263 0.000 2.046 373 L HA -0.020 4.319 4.340 -0.001 0.000 0.208 373 L C 2.448 179.372 176.870 0.089 0.000 1.077 373 L CA 1.838 56.861 54.840 0.304 0.000 0.747 373 L CB -0.953 41.242 42.059 0.227 0.000 0.896 373 L HN 0.126 nan 8.230 nan 0.000 0.432 374 Q N -1.207 118.527 119.800 -0.110 0.000 2.170 374 Q HA -0.202 4.137 4.340 -0.001 0.000 0.203 374 Q C 1.036 176.792 176.000 -0.407 0.000 0.976 374 Q CA 1.885 57.446 55.803 -0.404 0.000 0.858 374 Q CB -0.232 27.918 28.738 -0.980 0.000 0.907 374 Q HN 0.695 nan 8.270 nan 0.000 0.433 375 Y N -1.110 119.136 120.300 -0.091 0.000 2.584 375 Y HA 0.339 4.889 4.550 -0.001 0.000 0.254 375 Y C -0.270 175.559 175.900 -0.119 0.000 1.177 375 Y CA -0.245 57.851 58.100 -0.007 0.000 1.216 375 Y CB 0.990 39.559 38.460 0.181 0.000 1.172 375 Y HN -0.175 nan 8.280 nan 0.000 0.529 376 T N 0.491 114.934 114.554 -0.186 0.000 2.824 376 T HA 0.129 4.479 4.350 -0.001 0.000 0.280 376 T C -0.958 173.338 174.700 -0.673 0.000 0.995 376 T CA -0.659 61.071 62.100 -0.616 0.000 1.009 376 T CB 1.235 69.443 68.868 -1.101 0.000 0.955 376 T HN -0.021 nan 8.240 nan 0.000 0.452 377 D N 1.823 121.873 120.400 -0.583 0.000 2.428 377 D HA 0.157 4.796 4.640 -0.001 0.000 0.221 377 D C 0.039 176.088 176.300 -0.419 0.000 1.123 377 D CA -0.846 52.934 54.000 -0.366 0.000 0.869 377 D CB 0.370 41.039 40.800 -0.218 0.000 1.032 377 D HN 0.596 nan 8.370 nan 0.000 0.506 378 W N 3.005 124.265 121.300 -0.067 0.000 2.721 378 W HA 0.029 4.689 4.660 -0.001 0.000 0.245 378 W C 1.852 178.342 176.519 -0.049 0.000 1.276 378 W CA -0.013 57.297 57.345 -0.058 0.000 1.342 378 W CB -0.120 29.311 29.460 -0.048 0.000 1.135 378 W HN 0.385 nan 8.180 nan 0.000 0.654 379 M N -0.609 119.041 119.600 0.084 0.000 2.561 379 M HA 0.056 4.536 4.480 -0.001 0.000 0.238 379 M C 0.083 176.386 176.300 0.005 0.000 1.131 379 M CA 1.080 56.410 55.300 0.051 0.000 1.046 379 M CB 0.192 32.807 32.600 0.026 0.000 1.532 379 M HN -0.198 nan 8.290 nan 0.000 0.497 380 D N 0.176 120.550 120.400 -0.043 0.000 3.671 380 D HA -0.020 4.620 4.640 -0.001 0.000 0.291 380 D C 0.400 176.614 176.300 -0.143 0.000 1.373 380 D CA 0.061 54.018 54.000 -0.072 0.000 0.753 380 D CB 0.244 41.002 40.800 -0.070 0.000 1.338 380 D HN 0.208 nan 8.370 nan 0.000 0.690 381 D N -0.755 119.551 120.400 -0.155 0.000 2.310 381 D HA -0.134 4.506 4.640 -0.001 0.000 0.212 381 D C 0.505 176.678 176.300 -0.211 0.000 0.965 381 D CA 0.344 54.180 54.000 -0.273 0.000 0.879 381 D CB 0.143 40.798 40.800 -0.242 0.000 0.921 381 D HN 0.141 nan 8.370 nan 0.000 0.510 382 N N 0.523 119.151 118.700 -0.121 0.000 2.251 382 N HA -0.004 4.736 4.740 -0.001 0.000 0.217 382 N C -0.410 175.040 175.510 -0.099 0.000 1.124 382 N CA -0.157 52.835 53.050 -0.097 0.000 0.843 382 N CB -0.091 38.365 38.487 -0.052 0.000 1.024 382 N HN 0.371 nan 8.380 nan 0.000 0.501 383 N N -0.039 118.588 118.700 -0.121 0.000 2.399 383 N HA 0.096 4.836 4.740 -0.001 0.000 0.259 383 N C 1.486 176.929 175.510 -0.112 0.000 1.160 383 N CA -0.281 52.709 53.050 -0.101 0.000 0.946 383 N CB 0.701 39.128 38.487 -0.099 0.000 1.156 383 N HN 0.059 nan 8.380 nan 0.000 0.489 384 G N 3.656 112.398 108.800 -0.097 0.000 2.442 384 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.219 384 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.219 384 G C 1.283 176.121 174.900 -0.104 0.000 1.141 384 G CA 0.640 45.674 45.100 -0.111 0.000 0.763 384 G HN 0.664 nan 8.290 nan 0.000 0.554 385 I N 0.043 120.570 120.570 -0.072 0.000 2.353 385 I HA -0.097 4.073 4.170 -0.001 0.000 0.248 385 I C 2.775 178.884 176.117 -0.013 0.000 1.119 385 I CA 0.994 62.273 61.300 -0.036 0.000 1.417 385 I CB -0.150 37.844 38.000 -0.011 0.000 1.078 385 I HN 0.114 nan 8.210 nan 0.000 0.421 386 K N 0.648 121.021 120.400 -0.044 0.000 2.097 386 K HA -0.127 4.193 4.320 -0.001 0.000 0.205 386 K C 1.869 178.436 176.600 -0.055 0.000 1.050 386 K CA 1.206 57.464 56.287 -0.049 0.000 0.938 386 K CB -0.175 32.262 32.500 -0.105 0.000 0.718 386 K HN 0.303 nan 8.250 nan 0.000 0.442 387 N N 0.878 119.512 118.700 -0.110 0.000 2.142 387 N HA -0.163 4.577 4.740 -0.001 0.000 0.186 387 N C 1.750 177.384 175.510 0.206 0.000 1.023 387 N CA 0.843 53.848 53.050 -0.076 0.000 0.852 387 N CB -0.256 38.155 38.487 -0.127 0.000 0.998 387 N HN 0.181 nan 8.380 nan 0.000 0.424 388 R N 1.410 121.957 120.500 0.078 0.000 2.080 388 R HA -0.125 4.215 4.340 -0.001 0.000 0.236 388 R C 0.663 177.128 176.300 0.275 0.000 1.137 388 R CA 1.602 57.771 56.100 0.115 0.000 0.943 388 R CB -0.275 29.970 30.300 -0.093 0.000 0.846 388 R HN 0.119 nan 8.270 nan 0.000 0.431 389 D N -0.559 119.967 120.400 0.210 0.000 2.178 389 D HA -0.072 4.567 4.640 -0.001 0.000 0.202 389 D C 1.754 178.209 176.300 0.260 0.000 0.974 389 D CA 1.415 55.557 54.000 0.237 0.000 0.841 389 D CB -0.545 40.363 40.800 0.181 0.000 0.953 389 D HN 0.520 nan 8.370 nan 0.000 0.478 390 G N 0.718 109.683 108.800 0.275 0.000 2.418 390 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.217 390 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.217 390 G C 1.571 176.660 174.900 0.316 0.000 1.158 390 G CA 0.259 45.577 45.100 0.364 0.000 0.771 390 G HN 0.182 nan 8.290 nan 0.000 0.545 391 L N 0.889 122.329 121.223 0.362 0.000 2.056 391 L HA 0.023 4.362 4.340 -0.001 0.000 0.207 391 L C 2.305 179.236 176.870 0.101 0.000 1.078 391 L CA 1.810 56.737 54.840 0.144 0.000 0.749 391 L CB -0.525 41.684 42.059 0.250 0.000 0.901 391 L HN 0.162 nan 8.230 nan 0.000 0.433 392 D N -0.593 119.933 120.400 0.210 0.000 2.104 392 D HA -0.212 4.428 4.640 -0.001 0.000 0.194 392 D C 1.673 178.058 176.300 0.143 0.000 0.994 392 D CA 1.289 55.410 54.000 0.200 0.000 0.830 392 D CB 0.068 41.043 40.800 0.291 0.000 0.959 392 D HN 0.311 nan 8.370 nan 0.000 0.452 393 D N -0.117 120.378 120.400 0.158 0.000 2.117 393 D HA -0.106 4.533 4.640 -0.001 0.000 0.197 393 D C 2.347 178.650 176.300 0.005 0.000 0.987 393 D CA 0.416 54.519 54.000 0.172 0.000 0.829 393 D CB -0.228 40.781 40.800 0.347 0.000 0.961 393 D HN 0.357 nan 8.370 nan 0.000 0.460 394 I N 0.502 120.916 120.570 -0.260 0.000 2.127 394 I HA -0.263 3.906 4.170 -0.001 0.000 0.241 394 I C 2.457 178.431 176.117 -0.239 0.000 1.075 394 I CA 0.754 61.821 61.300 -0.389 0.000 1.334 394 I CB -0.233 37.523 38.000 -0.406 0.000 1.040 394 I HN -0.104 nan 8.210 nan 0.000 0.405 395 V N 0.994 120.826 119.914 -0.136 0.000 2.287 395 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 395 V C 2.552 178.549 176.094 -0.162 0.000 1.053 395 V CA 2.308 64.543 62.300 -0.107 0.000 1.027 395 V CB -1.548 30.288 31.823 0.021 0.000 0.646 395 V HN 0.606 nan 8.190 nan 0.000 0.447 396 G N -0.457 108.312 108.800 -0.053 0.000 2.402 396 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.216 396 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.216 396 G C 1.240 176.072 174.900 -0.112 0.000 1.162 396 G CA 0.986 46.070 45.100 -0.027 0.000 0.777 396 G HN 0.507 nan 8.290 nan 0.000 0.539 397 D N -0.160 120.171 120.400 -0.116 0.000 2.097 397 D HA -0.094 4.546 4.640 -0.001 0.000 0.195 397 D C 2.096 178.075 176.300 -0.534 0.000 0.989 397 D CA 1.357 55.256 54.000 -0.169 0.000 0.827 397 D CB -0.484 40.356 40.800 0.065 0.000 0.966 397 D HN 0.423 nan 8.370 nan 0.000 0.456 398 H N 0.913 119.345 119.070 -1.062 0.000 2.357 398 H HA 0.035 4.591 4.556 -0.001 0.000 0.301 398 H C 1.501 176.446 175.328 -0.638 0.000 1.082 398 H CA 1.671 56.978 56.048 -1.235 0.000 1.342 398 H CB 0.024 28.869 29.762 -1.529 0.000 1.389 398 H HN -0.006 nan 8.280 nan 0.000 0.511 399 N N -0.699 117.523 118.700 -0.796 0.000 2.415 399 N HA -0.009 4.730 4.740 -0.001 0.000 0.176 399 N C 1.123 176.347 175.510 -0.476 0.000 1.042 399 N CA 1.068 53.597 53.050 -0.869 0.000 0.902 399 N CB 1.058 38.594 38.487 -1.585 0.000 0.986 399 N HN 0.278 nan 8.380 nan 0.000 0.447 400 V N 0.299 120.026 119.914 -0.311 0.000 3.278 400 V HA 0.151 4.271 4.120 -0.001 0.000 0.215 400 V C 2.034 178.102 176.094 -0.043 0.000 1.287 400 V CA -0.067 62.185 62.300 -0.079 0.000 1.302 400 V CB 0.149 32.001 31.823 0.048 0.000 1.228 400 V HN -0.068 nan 8.190 nan 0.000 0.523 401 I N 1.167 121.725 120.570 -0.020 0.000 2.113 401 I HA -0.290 3.879 4.170 -0.001 0.000 0.238 401 I C 2.932 179.060 176.117 0.018 0.000 1.070 401 I CA 2.181 63.498 61.300 0.029 0.000 1.332 401 I CB -0.613 37.443 38.000 0.093 0.000 1.044 401 I HN 0.632 nan 8.210 nan 0.000 0.402 402 C N 1.839 121.141 119.300 0.003 0.000 2.425 402 C HA -0.061 4.398 4.460 -0.001 0.000 0.277 402 C C 0.672 175.694 174.990 0.053 0.000 1.280 402 C CA 1.448 60.508 59.018 0.072 0.000 1.744 402 C CB -2.067 25.755 27.740 0.138 0.000 1.989 402 C HN 0.284 nan 8.230 nan 0.000 0.491 403 P HA -0.063 nan 4.420 nan 0.000 0.217 403 P C 1.829 179.153 177.300 0.040 0.000 1.151 403 P CA 0.809 63.887 63.100 -0.037 0.000 0.828 403 P CB -0.182 31.404 31.700 -0.190 0.000 0.788 404 L N -1.809 119.419 121.223 0.008 0.000 2.093 404 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 404 L C 2.031 178.946 176.870 0.075 0.000 1.085 404 L CA 1.541 56.402 54.840 0.035 0.000 0.755 404 L CB -0.474 41.579 42.059 -0.009 0.000 0.904 404 L HN -0.094 nan 8.230 nan 0.000 0.435 405 M N -1.131 118.507 119.600 0.064 0.000 2.175 405 M HA -0.201 4.278 4.480 -0.001 0.000 0.264 405 M C 2.227 178.596 176.300 0.116 0.000 1.063 405 M CA 1.546 56.882 55.300 0.061 0.000 1.119 405 M CB -1.510 31.141 32.600 0.086 0.000 1.377 405 M HN 0.405 nan 8.290 nan 0.000 0.415 406 H N -0.099 119.012 119.070 0.068 0.000 2.321 406 H HA -0.169 4.386 4.556 -0.001 0.000 0.300 406 H C 1.821 177.200 175.328 0.085 0.000 1.087 406 H CA 1.982 58.077 56.048 0.078 0.000 1.319 406 H CB -0.350 29.455 29.762 0.070 0.000 1.379 406 H HN 0.226 nan 8.280 nan 0.000 0.501 407 F N 0.148 120.057 119.950 -0.069 0.000 2.075 407 F HA -0.196 4.331 4.527 -0.001 0.000 0.297 407 F C 2.586 178.302 175.800 -0.140 0.000 1.113 407 F CA 1.618 59.531 58.000 -0.145 0.000 1.218 407 F CB -1.069 37.852 39.000 -0.130 0.000 0.984 407 F HN 0.132 nan 8.300 nan 0.000 0.472 408 V N 1.209 121.025 119.914 -0.163 0.000 2.332 408 V HA -0.325 3.795 4.120 -0.001 0.000 0.248 408 V C 2.248 178.185 176.094 -0.263 0.000 1.055 408 V CA 2.671 64.763 62.300 -0.347 0.000 1.038 408 V CB -0.658 30.886 31.823 -0.464 0.000 0.651 408 V HN 0.469 nan 8.190 nan 0.000 0.450 409 N N -0.216 118.416 118.700 -0.114 0.000 2.188 409 N HA -0.107 4.632 4.740 -0.001 0.000 0.184 409 N C 1.823 177.318 175.510 -0.026 0.000 1.018 409 N CA 1.214 54.292 53.050 0.048 0.000 0.858 409 N CB -0.232 38.317 38.487 0.104 0.000 0.989 409 N HN 0.451 nan 8.380 nan 0.000 0.426 410 K N 0.392 120.694 120.400 -0.163 0.000 2.062 410 K HA -0.097 4.223 4.320 -0.001 0.000 0.205 410 K C 1.938 178.512 176.600 -0.044 0.000 1.051 410 K CA 0.594 56.810 56.287 -0.118 0.000 0.941 410 K CB -0.678 31.675 32.500 -0.245 0.000 0.719 410 K HN 0.289 nan 8.250 nan 0.000 0.440 411 Y N 2.270 122.313 120.300 -0.429 0.000 2.163 411 Y HA -0.200 4.350 4.550 -0.001 0.000 0.288 411 Y C 2.186 178.063 175.900 -0.040 0.000 1.136 411 Y CA 1.839 59.665 58.100 -0.456 0.000 1.147 411 Y CB -0.346 37.523 38.460 -0.985 0.000 0.987 411 Y HN 0.005 nan 8.280 nan 0.000 0.509 412 T N 0.567 115.165 114.554 0.073 0.000 2.897 412 T HA -0.229 4.121 4.350 -0.001 0.000 0.271 412 T C 1.804 176.526 174.700 0.037 0.000 1.084 412 T CA 1.662 63.836 62.100 0.122 0.000 1.123 412 T CB -0.260 68.759 68.868 0.251 0.000 0.865 412 T HN 0.324 nan 8.240 nan 0.000 0.496 413 K N -0.083 120.320 120.400 0.005 0.000 2.148 413 K HA -0.013 4.306 4.320 -0.001 0.000 0.204 413 K C 1.053 177.445 176.600 -0.347 0.000 1.050 413 K CA 1.192 57.375 56.287 -0.173 0.000 0.942 413 K CB -0.048 32.309 32.500 -0.239 0.000 0.724 413 K HN 0.362 nan 8.250 nan 0.000 0.446 414 F N -0.187 119.705 119.950 -0.097 0.000 2.724 414 F HA 0.294 4.820 4.527 -0.001 0.000 0.306 414 F C 1.314 176.994 175.800 -0.201 0.000 1.100 414 F CA -0.309 57.595 58.000 -0.160 0.000 1.255 414 F CB 0.326 39.171 39.000 -0.259 0.000 1.072 414 F HN -0.036 nan 8.300 nan 0.000 0.589 415 G N -0.072 108.664 108.800 -0.107 0.000 2.653 415 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.265 415 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.265 415 G C 0.431 175.372 174.900 0.068 0.000 1.237 415 G CA -0.354 44.703 45.100 -0.073 0.000 0.946 415 G HN 0.283 nan 8.290 nan 0.000 0.522 416 N N -0.671 118.117 118.700 0.147 0.000 2.203 416 N HA 0.250 4.989 4.740 -0.001 0.000 0.207 416 N C 0.357 175.935 175.510 0.114 0.000 1.130 416 N CA 0.441 53.554 53.050 0.105 0.000 0.861 416 N CB 0.391 38.936 38.487 0.097 0.000 1.005 416 N HN 0.811 nan 8.380 nan 0.000 0.507 417 G N 0.416 109.299 108.800 0.138 0.000 2.088 417 G HA2 0.050 4.009 3.960 -0.001 0.000 0.222 417 G HA3 0.050 4.009 3.960 -0.001 0.000 0.222 417 G C -1.326 173.591 174.900 0.028 0.000 1.690 417 G CA -0.689 44.445 45.100 0.057 0.000 0.923 417 G HN 0.001 nan 8.290 nan 0.000 0.730 418 T N 1.604 116.053 114.554 -0.175 0.000 2.841 418 T HA 0.675 5.025 4.350 -0.001 0.000 0.283 418 T C -1.280 173.117 174.700 -0.506 0.000 1.000 418 T CA -0.319 61.667 62.100 -0.189 0.000 0.977 418 T CB 1.313 70.160 68.868 -0.034 0.000 0.979 418 T HN 0.403 nan 8.240 nan 0.000 0.446 419 Y N 2.117 122.310 120.300 -0.179 0.000 2.326 419 Y HA 0.628 5.177 4.550 -0.001 0.000 0.329 419 Y C -0.505 175.427 175.900 0.054 0.000 0.973 419 Y CA -1.113 56.819 58.100 -0.279 0.000 1.162 419 Y CB 1.432 39.278 38.460 -1.024 0.000 1.147 419 Y HN 0.433 nan 8.280 nan 0.000 0.456 420 L N 5.944 127.521 121.223 0.591 0.000 2.329 420 L HA 0.652 4.992 4.340 -0.001 0.000 0.279 420 L C -1.226 176.114 176.870 0.783 0.000 1.014 420 L CA -1.022 54.127 54.840 0.514 0.000 0.814 420 L CB 0.797 43.022 42.059 0.276 0.000 1.257 420 L HN 0.522 nan 8.230 nan 0.000 0.424 421 Y N 3.053 123.671 120.300 0.530 0.000 2.576 421 Y HA 0.732 5.281 4.550 -0.001 0.000 0.346 421 Y C -1.818 174.364 175.900 0.471 0.000 1.018 421 Y CA -2.047 56.304 58.100 0.417 0.000 1.050 421 Y CB 1.336 39.981 38.460 0.309 0.000 1.280 421 Y HN 0.527 nan 8.280 nan 0.000 0.474 422 F N 4.197 124.498 119.950 0.583 0.000 2.610 422 F HA 0.457 4.983 4.527 -0.001 0.000 0.355 422 F C -1.895 174.226 175.800 0.534 0.000 1.140 422 F CA -1.771 56.501 58.000 0.453 0.000 1.037 422 F CB 0.705 39.962 39.000 0.428 0.000 1.287 422 F HN 0.565 nan 8.300 nan 0.000 0.457 423 F N 7.862 127.878 119.950 0.110 0.000 2.438 423 F HA 0.280 4.807 4.527 -0.001 0.000 0.360 423 F C 0.340 176.002 175.800 -0.230 0.000 1.118 423 F CA -0.282 57.728 58.000 0.017 0.000 1.164 423 F CB 0.455 39.532 39.000 0.129 0.000 1.131 423 F HN 0.532 nan 8.300 nan 0.000 0.527 424 N N 3.308 121.662 118.700 -0.577 0.000 2.433 424 N HA 0.073 4.812 4.740 -0.001 0.000 0.270 424 N C -1.093 174.174 175.510 -0.405 0.000 1.354 424 N CA -0.472 52.330 53.050 -0.414 0.000 0.889 424 N CB -0.639 37.805 38.487 -0.071 0.000 1.285 424 N HN 0.601 nan 8.380 nan 0.000 0.503 425 H N 0.606 119.126 119.070 -0.916 0.000 2.488 425 H HA 0.432 4.987 4.556 -0.001 0.000 0.322 425 H C -0.502 174.622 175.328 -0.340 0.000 1.078 425 H CA -0.633 55.068 56.048 -0.579 0.000 1.260 425 H CB 1.014 30.381 29.762 -0.657 0.000 1.425 425 H HN 0.095 nan 8.280 nan 0.000 0.471 426 R N 4.198 124.272 120.500 -0.709 0.000 2.202 426 R HA 0.511 4.851 4.340 -0.001 0.000 0.334 426 R C -0.569 175.434 176.300 -0.496 0.000 1.036 426 R CA -0.663 55.205 56.100 -0.387 0.000 0.878 426 R CB 0.378 30.557 30.300 -0.202 0.000 1.067 426 R HN 0.823 nan 8.270 nan 0.000 0.457 427 A N 3.026 125.841 122.820 -0.008 0.000 2.565 427 A HA -0.026 4.294 4.320 -0.001 0.000 0.237 427 A C 1.335 178.987 177.584 0.113 0.000 1.053 427 A CA 0.612 52.834 52.037 0.307 0.000 0.755 427 A CB 0.276 19.607 19.000 0.552 0.000 0.980 427 A HN 1.011 nan 8.150 nan 0.000 0.506 428 S N 1.557 117.358 115.700 0.168 0.000 2.474 428 S HA -0.159 4.310 4.470 -0.001 0.000 0.235 428 S C 0.871 175.453 174.600 -0.029 0.000 0.997 428 S CA 1.134 59.372 58.200 0.062 0.000 0.949 428 S CB -0.420 62.843 63.200 0.104 0.000 0.766 428 S HN 0.936 nan 8.310 nan 0.000 0.517 429 N N 0.689 119.329 118.700 -0.101 0.000 2.238 429 N HA 0.244 4.984 4.740 -0.001 0.000 0.222 429 N C -0.164 175.259 175.510 -0.144 0.000 1.133 429 N CA -0.387 52.553 53.050 -0.184 0.000 0.854 429 N CB -0.558 37.702 38.487 -0.378 0.000 1.041 429 N HN 0.390 nan 8.380 nan 0.000 0.510 430 L N 1.223 122.403 121.223 -0.071 0.000 2.490 430 L HA 0.014 4.354 4.340 -0.001 0.000 0.274 430 L C 1.494 178.299 176.870 -0.108 0.000 1.201 430 L CA -0.314 54.486 54.840 -0.065 0.000 0.869 430 L CB 1.083 43.115 42.059 -0.045 0.000 1.123 430 L HN 0.128 nan 8.230 nan 0.000 0.484 431 V N -0.469 119.330 119.914 -0.191 0.000 3.354 431 V HA 0.041 4.160 4.120 -0.001 0.000 0.258 431 V C 0.563 176.571 176.094 -0.143 0.000 1.159 431 V CA -0.443 61.714 62.300 -0.238 0.000 1.125 431 V CB -0.803 30.729 31.823 -0.485 0.000 0.774 431 V HN 0.599 nan 8.190 nan 0.000 0.464 432 W N 2.163 123.424 121.300 -0.065 0.000 2.150 432 W HA 0.473 5.133 4.660 -0.001 0.000 0.341 432 W C -1.604 174.788 176.519 -0.211 0.000 1.276 432 W CA -1.921 55.350 57.345 -0.122 0.000 1.238 432 W CB -0.175 29.112 29.460 -0.288 0.000 1.128 432 W HN 0.026 nan 8.180 nan 0.000 0.581 433 P HA -0.081 nan 4.420 nan 0.000 0.271 433 P C 0.357 177.550 177.300 -0.177 0.000 1.233 433 P CA 0.339 63.373 63.100 -0.111 0.000 0.789 433 P CB 0.919 32.549 31.700 -0.116 0.000 0.951 434 E N 0.950 121.121 120.200 -0.048 0.000 2.110 434 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 434 E C 1.931 178.547 176.600 0.027 0.000 0.988 434 E CA 1.372 57.768 56.400 -0.006 0.000 0.804 434 E CB -0.588 29.146 29.700 0.058 0.000 0.745 434 E HN 0.717 nan 8.360 nan 0.000 0.458 435 W N 0.409 121.742 121.300 0.055 0.000 2.387 435 W HA -0.096 4.563 4.660 -0.001 0.000 0.272 435 W C 1.462 178.033 176.519 0.086 0.000 1.224 435 W CA 0.499 57.887 57.345 0.072 0.000 1.210 435 W CB -0.838 28.669 29.460 0.079 0.000 1.125 435 W HN -0.018 nan 8.180 nan 0.000 0.572 436 M N 1.335 120.598 119.600 -0.563 0.000 2.562 436 M HA 0.121 4.600 4.480 -0.001 0.000 0.257 436 M C 1.801 178.006 176.300 -0.159 0.000 1.099 436 M CA 1.492 56.462 55.300 -0.551 0.000 1.099 436 M CB -0.700 31.369 32.600 -0.886 0.000 1.427 436 M HN 0.172 nan 8.290 nan 0.000 0.489 437 G N 0.566 109.321 108.800 -0.075 0.000 2.611 437 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.301 437 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.301 437 G C -0.131 174.761 174.900 -0.013 0.000 1.233 437 G CA -0.161 44.935 45.100 -0.006 0.000 0.993 437 G HN 0.211 nan 8.290 nan 0.000 0.553 438 V N 2.052 121.988 119.914 0.037 0.000 2.276 438 V HA 0.361 4.481 4.120 -0.001 0.000 0.249 438 V C 1.086 177.286 176.094 0.177 0.000 1.160 438 V CA -0.032 62.324 62.300 0.092 0.000 1.042 438 V CB -0.106 31.745 31.823 0.047 0.000 1.224 438 V HN 0.513 nan 8.190 nan 0.000 0.496 439 I N 3.069 123.741 120.570 0.169 0.000 2.692 439 I HA 0.067 4.236 4.170 -0.001 0.000 0.284 439 I C 0.995 177.381 176.117 0.448 0.000 1.159 439 I CA -0.319 61.126 61.300 0.241 0.000 1.423 439 I CB 0.101 38.132 38.000 0.051 0.000 1.380 439 I HN 0.565 nan 8.210 nan 0.000 0.580 440 H N 4.833 124.064 119.070 0.268 0.000 3.167 440 H HA 0.105 4.660 4.556 -0.001 0.000 0.306 440 H C 1.075 176.470 175.328 0.113 0.000 0.965 440 H CA 1.051 57.208 56.048 0.182 0.000 1.408 440 H CB 0.132 29.965 29.762 0.117 0.000 1.406 440 H HN 0.769 nan 8.280 nan 0.000 0.576 441 G N 3.648 112.319 108.800 -0.216 0.000 2.199 441 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.254 441 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.254 441 G C 0.625 175.501 174.900 -0.039 0.000 0.982 441 G CA 0.478 45.422 45.100 -0.260 0.000 0.632 441 G HN 0.652 nan 8.290 nan 0.000 0.529 442 Y N 1.393 121.841 120.300 0.247 0.000 2.462 442 Y HA 0.235 4.785 4.550 -0.001 0.000 0.293 442 Y C 2.295 178.362 175.900 0.278 0.000 1.195 442 Y CA 0.983 59.295 58.100 0.353 0.000 1.276 442 Y CB 0.406 39.110 38.460 0.408 0.000 1.082 442 Y HN 0.522 nan 8.280 nan 0.000 0.514 443 E N -0.125 120.078 120.200 0.006 0.000 2.415 443 E HA -0.040 4.310 4.350 -0.001 0.000 0.197 443 E C 1.633 178.165 176.600 -0.115 0.000 1.007 443 E CA 0.526 56.587 56.400 -0.564 0.000 0.890 443 E CB -0.409 28.620 29.700 -1.119 0.000 0.891 443 E HN 0.516 nan 8.360 nan 0.000 0.496 444 I N 2.740 123.347 120.570 0.062 0.000 2.151 444 I HA -0.326 3.844 4.170 -0.001 0.000 0.243 444 I C 2.647 178.832 176.117 0.113 0.000 1.080 444 I CA 2.238 63.626 61.300 0.148 0.000 1.339 444 I CB -0.510 37.628 38.000 0.229 0.000 1.039 444 I HN 0.222 nan 8.210 nan 0.000 0.409 445 E N 0.914 121.148 120.200 0.056 0.000 2.160 445 E HA -0.243 4.107 4.350 -0.001 0.000 0.195 445 E C 2.029 178.502 176.600 -0.213 0.000 0.991 445 E CA 1.538 57.889 56.400 -0.082 0.000 0.810 445 E CB -0.544 29.107 29.700 -0.083 0.000 0.742 445 E HN 0.441 nan 8.360 nan 0.000 0.466 446 F N 1.067 120.932 119.950 -0.142 0.000 2.293 446 F HA -0.020 4.507 4.527 -0.001 0.000 0.297 446 F C 2.311 177.941 175.800 -0.284 0.000 1.089 446 F CA 0.506 58.378 58.000 -0.212 0.000 1.377 446 F CB -0.090 38.825 39.000 -0.142 0.000 1.051 446 F HN -0.128 nan 8.300 nan 0.000 0.511 447 V N -1.225 118.609 119.914 -0.132 0.000 2.453 447 V HA -0.240 3.880 4.120 -0.001 0.000 0.247 447 V C 1.603 177.522 176.094 -0.293 0.000 1.048 447 V CA 1.487 63.575 62.300 -0.354 0.000 1.049 447 V CB -0.621 31.010 31.823 -0.320 0.000 0.672 447 V HN 0.189 nan 8.190 nan 0.000 0.457 448 F N 0.585 120.407 119.950 -0.214 0.000 2.732 448 F HA 0.415 4.942 4.527 -0.001 0.000 0.303 448 F C 1.799 177.512 175.800 -0.144 0.000 1.110 448 F CA 0.560 58.462 58.000 -0.164 0.000 1.355 448 F CB -0.272 38.615 39.000 -0.190 0.000 1.081 448 F HN 0.259 nan 8.300 nan 0.000 0.565 449 G N 0.386 109.108 108.800 -0.130 0.000 2.198 449 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.260 449 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.260 449 G C 1.110 175.701 174.900 -0.515 0.000 1.025 449 G CA 0.341 45.281 45.100 -0.266 0.000 0.769 449 G HN 0.268 nan 8.290 nan 0.000 0.507 450 L N -0.392 120.513 121.223 -0.529 0.000 2.131 450 L HA -0.038 4.302 4.340 -0.001 0.000 0.210 450 L C 0.194 176.637 176.870 -0.712 0.000 1.092 450 L CA 2.369 56.841 54.840 -0.613 0.000 0.759 450 L CB -1.849 39.986 42.059 -0.374 0.000 0.903 450 L HN 0.197 nan 8.230 nan 0.000 0.435 451 P HA -0.093 nan 4.420 nan 0.000 0.228 451 P C 1.861 178.900 177.300 -0.435 0.000 1.151 451 P CA 0.819 63.306 63.100 -1.021 0.000 0.770 451 P CB 0.071 31.072 31.700 -1.165 0.000 0.786 452 L N -1.523 119.450 121.223 -0.417 0.000 2.478 452 L HA 0.037 4.377 4.340 -0.001 0.000 0.223 452 L C 1.108 177.846 176.870 -0.220 0.000 1.140 452 L CA 0.339 55.021 54.840 -0.264 0.000 0.842 452 L CB -0.383 41.538 42.059 -0.230 0.000 0.953 452 L HN -0.091 nan 8.230 nan 0.000 0.452 453 V N 0.594 120.339 119.914 -0.282 0.000 2.339 453 V HA 0.138 4.258 4.120 -0.001 0.000 0.261 453 V C 1.386 177.438 176.094 -0.071 0.000 1.058 453 V CA -0.705 61.493 62.300 -0.170 0.000 0.897 453 V CB 0.805 32.504 31.823 -0.208 0.000 1.052 453 V HN 0.175 nan 8.190 nan 0.000 0.480 454 K N 4.705 125.078 120.400 -0.045 0.000 2.071 454 K HA -0.220 4.099 4.320 -0.001 0.000 0.217 454 K C 1.708 178.300 176.600 -0.015 0.000 1.054 454 K CA 2.224 58.500 56.287 -0.018 0.000 0.937 454 K CB -0.474 32.015 32.500 -0.018 0.000 0.719 454 K HN 0.941 nan 8.250 nan 0.000 0.454 455 E N 1.244 121.429 120.200 -0.025 0.000 2.396 455 E HA -0.161 4.189 4.350 -0.001 0.000 0.200 455 E C 1.952 178.528 176.600 -0.040 0.000 1.023 455 E CA 0.763 57.145 56.400 -0.031 0.000 0.857 455 E CB -0.579 29.103 29.700 -0.030 0.000 0.775 455 E HN 0.404 nan 8.360 nan 0.000 0.525 456 L N 0.408 121.618 121.223 -0.022 0.000 2.558 456 L HA 0.040 4.380 4.340 -0.001 0.000 0.225 456 L C -0.172 176.621 176.870 -0.129 0.000 1.128 456 L CA 0.006 54.824 54.840 -0.037 0.000 0.868 456 L CB -0.485 41.620 42.059 0.077 0.000 1.006 456 L HN -0.008 nan 8.230 nan 0.000 0.454 457 N N -1.151 117.505 118.700 -0.074 0.000 2.783 457 N HA -0.211 4.529 4.740 -0.001 0.000 0.247 457 N C -0.699 174.715 175.510 -0.161 0.000 1.089 457 N CA 0.789 53.772 53.050 -0.113 0.000 0.690 457 N CB -1.832 36.565 38.487 -0.149 0.000 0.991 457 N HN 0.279 nan 8.380 nan 0.000 0.552 458 Y N 0.209 120.473 120.300 -0.061 0.000 2.392 458 Y HA 0.425 4.975 4.550 -0.001 0.000 0.323 458 Y C 1.861 177.756 175.900 -0.008 0.000 1.291 458 Y CA -0.100 57.980 58.100 -0.034 0.000 1.345 458 Y CB 0.636 39.043 38.460 -0.088 0.000 1.320 458 Y HN 0.113 nan 8.280 nan 0.000 0.518 459 T N -2.049 112.628 114.554 0.205 0.000 2.788 459 T HA 0.456 4.806 4.350 -0.001 0.000 0.280 459 T C 1.150 175.908 174.700 0.096 0.000 0.984 459 T CA -0.233 61.940 62.100 0.122 0.000 0.972 459 T CB 1.112 70.054 68.868 0.123 0.000 1.039 459 T HN 0.738 nan 8.240 nan 0.000 0.530 460 A N 0.788 123.642 122.820 0.056 0.000 1.930 460 A HA -0.064 4.255 4.320 -0.001 0.000 0.217 460 A C 2.310 179.908 177.584 0.023 0.000 1.175 460 A CA 1.269 53.323 52.037 0.029 0.000 0.627 460 A CB -0.787 18.224 19.000 0.017 0.000 0.815 460 A HN 0.931 nan 8.150 nan 0.000 0.443 461 E N 0.759 120.978 120.200 0.031 0.000 2.150 461 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 461 E C 1.438 178.044 176.600 0.009 0.000 0.985 461 E CA 1.343 57.747 56.400 0.006 0.000 0.814 461 E CB -0.612 29.086 29.700 -0.005 0.000 0.752 461 E HN 0.801 nan 8.360 nan 0.000 0.466 462 E N 0.934 121.182 120.200 0.081 0.000 2.208 462 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 462 E C 2.059 178.701 176.600 0.070 0.000 0.988 462 E CA 0.668 57.187 56.400 0.197 0.000 0.828 462 E CB 0.016 29.955 29.700 0.397 0.000 0.763 462 E HN 0.391 nan 8.360 nan 0.000 0.478 463 E N 0.889 121.082 120.200 -0.012 0.000 2.072 463 E HA -0.149 4.201 4.350 -0.001 0.000 0.190 463 E C 2.056 178.621 176.600 -0.058 0.000 0.982 463 E CA 0.831 57.179 56.400 -0.087 0.000 0.803 463 E CB -0.002 29.657 29.700 -0.069 0.000 0.755 463 E HN 0.194 nan 8.360 nan 0.000 0.453 464 A N 1.272 124.074 122.820 -0.031 0.000 1.902 464 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 464 A C 2.135 179.696 177.584 -0.038 0.000 1.181 464 A CA 1.287 53.300 52.037 -0.040 0.000 0.623 464 A CB -0.652 18.328 19.000 -0.033 0.000 0.818 464 A HN 0.386 nan 8.150 nan 0.000 0.443 465 L N -0.248 120.972 121.223 -0.005 0.000 2.046 465 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 465 L C 2.545 179.449 176.870 0.058 0.000 1.077 465 L CA 2.568 57.415 54.840 0.012 0.000 0.747 465 L CB -0.860 41.194 42.059 -0.008 0.000 0.896 465 L HN 0.335 nan 8.230 nan 0.000 0.432 466 S N -0.763 115.001 115.700 0.106 0.000 2.368 466 S HA -0.192 4.278 4.470 -0.001 0.000 0.225 466 S C 2.190 176.741 174.600 -0.081 0.000 1.030 466 S CA 1.310 59.523 58.200 0.021 0.000 0.999 466 S CB -0.195 62.912 63.200 -0.155 0.000 0.844 466 S HN 0.535 nan 8.310 nan 0.000 0.459 467 R N 0.272 120.719 120.500 -0.088 0.000 2.081 467 R HA 0.040 4.379 4.340 -0.001 0.000 0.235 467 R C 2.730 178.965 176.300 -0.109 0.000 1.131 467 R CA 1.482 57.524 56.100 -0.096 0.000 0.960 467 R CB -0.230 30.011 30.300 -0.098 0.000 0.856 467 R HN 0.380 nan 8.270 nan 0.000 0.436 468 R N 0.385 120.793 120.500 -0.153 0.000 2.070 468 R HA -0.103 4.237 4.340 -0.001 0.000 0.233 468 R C 2.322 178.397 176.300 -0.375 0.000 1.137 468 R CA 1.541 57.453 56.100 -0.314 0.000 0.945 468 R CB -0.432 29.678 30.300 -0.316 0.000 0.845 468 R HN 0.205 nan 8.270 nan 0.000 0.430 469 I N 0.608 121.072 120.570 -0.177 0.000 2.142 469 I HA -0.330 3.839 4.170 -0.001 0.000 0.240 469 I C 2.535 178.579 176.117 -0.120 0.000 1.078 469 I CA 1.489 62.718 61.300 -0.118 0.000 1.343 469 I CB -0.235 37.574 38.000 -0.318 0.000 1.046 469 I HN 0.220 nan 8.210 nan 0.000 0.405 470 M N -0.588 118.921 119.600 -0.151 0.000 2.108 470 M HA -0.281 4.199 4.480 -0.001 0.000 0.261 470 M C 2.450 178.805 176.300 0.092 0.000 1.066 470 M CA 1.860 57.110 55.300 -0.083 0.000 1.107 470 M CB -0.795 31.753 32.600 -0.086 0.000 1.356 470 M HN 0.285 nan 8.290 nan 0.000 0.406 471 H N -0.435 118.620 119.070 -0.025 0.000 2.423 471 H HA -0.136 4.419 4.556 -0.001 0.000 0.297 471 H C 1.540 176.977 175.328 0.182 0.000 1.075 471 H CA 1.781 57.840 56.048 0.018 0.000 1.342 471 H CB 0.023 29.741 29.762 -0.072 0.000 1.395 471 H HN 0.279 nan 8.280 nan 0.000 0.530 472 Y N -0.838 119.610 120.300 0.247 0.000 2.133 472 Y HA -0.235 4.315 4.550 -0.001 0.000 0.287 472 Y C 2.552 178.648 175.900 0.327 0.000 1.134 472 Y CA 1.044 59.336 58.100 0.319 0.000 1.133 472 Y CB -1.118 37.745 38.460 0.671 0.000 0.987 472 Y HN 0.342 nan 8.280 nan 0.000 0.502 473 W N -0.381 121.028 121.300 0.181 0.000 2.333 473 W HA -0.271 4.389 4.660 -0.001 0.000 0.316 473 W C 2.585 179.105 176.519 0.002 0.000 1.215 473 W CA 1.226 58.609 57.345 0.063 0.000 1.278 473 W CB -0.527 28.915 29.460 -0.030 0.000 1.154 473 W HN 0.068 nan 8.180 nan 0.000 0.486 474 A N -0.184 122.746 122.820 0.183 0.000 1.930 474 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 474 A C 1.792 179.356 177.584 -0.034 0.000 1.175 474 A CA 2.107 54.163 52.037 0.032 0.000 0.627 474 A CB -1.127 17.883 19.000 0.018 0.000 0.815 474 A HN 0.211 nan 8.150 nan 0.000 0.443 475 T N -0.812 113.685 114.554 -0.096 0.000 2.867 475 T HA -0.080 4.270 4.350 -0.001 0.000 0.268 475 T C 1.562 176.213 174.700 -0.082 0.000 1.057 475 T CA 1.396 63.406 62.100 -0.150 0.000 1.136 475 T CB -0.341 68.368 68.868 -0.265 0.000 0.874 475 T HN 0.509 nan 8.240 nan 0.000 0.466 476 F N 2.406 122.251 119.950 -0.175 0.000 2.146 476 F HA 0.114 4.640 4.527 -0.001 0.000 0.298 476 F C 2.417 178.127 175.800 -0.150 0.000 1.096 476 F CA 0.822 58.686 58.000 -0.228 0.000 1.275 476 F CB -0.697 38.108 39.000 -0.326 0.000 1.008 476 F HN 0.131 nan 8.300 nan 0.000 0.480 477 A N 0.433 123.139 122.820 -0.190 0.000 1.940 477 A HA -0.212 4.107 4.320 -0.001 0.000 0.219 477 A C 2.226 179.668 177.584 -0.238 0.000 1.176 477 A CA 2.031 53.922 52.037 -0.244 0.000 0.631 477 A CB -0.651 18.288 19.000 -0.101 0.000 0.814 477 A HN 0.506 nan 8.150 nan 0.000 0.446 478 K N -1.198 119.099 120.400 -0.173 0.000 2.044 478 K HA -0.056 4.263 4.320 -0.001 0.000 0.204 478 K C 2.058 178.569 176.600 -0.149 0.000 1.049 478 K CA 1.737 57.947 56.287 -0.127 0.000 0.945 478 K CB -0.155 32.297 32.500 -0.080 0.000 0.724 478 K HN 0.675 nan 8.250 nan 0.000 0.440 479 T N -4.213 110.232 114.554 -0.182 0.000 2.971 479 T HA 0.237 4.587 4.350 -0.001 0.000 0.252 479 T C 1.307 175.886 174.700 -0.202 0.000 1.022 479 T CA 0.413 62.421 62.100 -0.154 0.000 0.980 479 T CB 0.953 69.761 68.868 -0.099 0.000 1.044 479 T HN 0.303 nan 8.240 nan 0.000 0.501 480 G N 1.442 110.006 108.800 -0.393 0.000 2.141 480 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.231 480 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.231 480 G C -0.205 174.666 174.900 -0.048 0.000 0.984 480 G CA 0.001 44.837 45.100 -0.440 0.000 0.660 480 G HN 0.838 nan 8.290 nan 0.000 0.525 481 N N -0.265 118.381 118.700 -0.090 0.000 2.478 481 N HA 0.422 5.161 4.740 -0.001 0.000 0.291 481 N C -1.708 173.645 175.510 -0.263 0.000 1.090 481 N CA -1.414 51.515 53.050 -0.202 0.000 0.911 481 N CB 2.469 40.916 38.487 -0.067 0.000 1.546 481 N HN -0.064 nan 8.380 nan 0.000 0.500 482 P HA -0.038 nan 4.420 nan 0.000 0.226 482 P C -0.441 176.860 177.300 0.002 0.000 1.153 482 P CA 0.604 63.554 63.100 -0.250 0.000 0.777 482 P CB 0.363 31.708 31.700 -0.593 0.000 0.794 483 N N 1.436 120.099 118.700 -0.061 0.000 2.518 483 N HA 0.100 4.839 4.740 -0.001 0.000 0.283 483 N C 0.282 175.831 175.510 0.065 0.000 1.119 483 N CA -0.162 52.945 53.050 0.096 0.000 0.983 483 N CB 0.997 39.539 38.487 0.092 0.000 1.139 483 N HN 0.053 nan 8.380 nan 0.000 0.465 484 E N 2.037 122.311 120.200 0.123 0.000 2.290 484 E HA 0.086 4.436 4.350 -0.001 0.000 0.277 484 E C -1.344 175.281 176.600 0.041 0.000 1.035 484 E CA -1.485 54.976 56.400 0.103 0.000 0.873 484 E CB 0.953 30.758 29.700 0.175 0.000 1.029 484 E HN 0.322 nan 8.360 nan 0.000 0.419 485 P HA -0.186 nan 4.420 nan 0.000 0.218 485 P C 0.536 177.634 177.300 -0.336 0.000 1.165 485 P CA 1.594 64.570 63.100 -0.207 0.000 0.922 485 P CB 0.175 31.729 31.700 -0.244 0.000 0.794 486 H N -2.253 116.853 119.070 0.061 0.000 2.486 486 H HA 0.292 4.848 4.556 -0.001 0.000 0.284 486 H C 0.651 176.016 175.328 0.061 0.000 1.103 486 H CA -0.212 55.869 56.048 0.055 0.000 1.089 486 H CB 0.023 29.811 29.762 0.044 0.000 1.603 486 H HN 0.107 nan 8.280 nan 0.000 0.557 487 S N 0.616 116.397 115.700 0.135 0.000 2.580 487 S HA -0.014 4.456 4.470 -0.001 0.000 0.266 487 S C 1.305 175.970 174.600 0.108 0.000 1.354 487 S CA -0.098 58.176 58.200 0.122 0.000 1.008 487 S CB 1.062 64.340 63.200 0.130 0.000 0.898 487 S HN 0.325 nan 8.310 nan 0.000 0.555 488 Q N 0.508 120.363 119.800 0.092 0.000 2.281 488 Q HA 0.239 4.578 4.340 -0.001 0.000 0.215 488 Q C -0.003 176.044 176.000 0.079 0.000 0.867 488 Q CA 0.117 55.966 55.803 0.078 0.000 0.940 488 Q CB 0.083 28.858 28.738 0.061 0.000 1.111 488 Q HN 0.658 nan 8.270 nan 0.000 0.513 489 E N 1.156 121.411 120.200 0.092 0.000 2.428 489 E HA 0.035 4.385 4.350 -0.001 0.000 0.257 489 E C -0.090 176.582 176.600 0.120 0.000 1.197 489 E CA 0.028 56.489 56.400 0.102 0.000 0.974 489 E CB 0.467 30.240 29.700 0.122 0.000 0.976 489 E HN -0.116 nan 8.360 nan 0.000 0.463 490 S N 0.783 116.558 115.700 0.124 0.000 2.549 490 S HA 0.034 4.503 4.470 -0.001 0.000 0.283 490 S C -0.211 174.497 174.600 0.180 0.000 1.320 490 S CA -0.443 57.832 58.200 0.125 0.000 1.058 490 S CB 0.188 63.449 63.200 0.101 0.000 0.882 490 S HN 0.129 nan 8.310 nan 0.000 0.498 491 K N 3.622 124.120 120.400 0.163 0.000 2.201 491 K HA 0.128 4.447 4.320 -0.001 0.000 0.278 491 K C -0.394 176.364 176.600 0.262 0.000 1.027 491 K CA -0.411 56.001 56.287 0.208 0.000 0.909 491 K CB 0.630 33.228 32.500 0.165 0.000 1.062 491 K HN 0.702 nan 8.250 nan 0.000 0.465 492 W N 7.483 128.827 121.300 0.074 0.000 2.546 492 W HA 0.142 4.802 4.660 -0.001 0.000 0.323 492 W C -2.221 174.399 176.519 0.167 0.000 1.272 492 W CA -2.480 54.899 57.345 0.058 0.000 1.404 492 W CB -0.195 29.203 29.460 -0.103 0.000 1.411 492 W HN 0.395 nan 8.180 nan 0.000 0.480 493 P HA 0.004 nan 4.420 nan 0.000 0.272 493 P C -0.585 176.928 177.300 0.356 0.000 1.230 493 P CA -0.428 62.888 63.100 0.360 0.000 0.788 493 P CB 1.451 33.281 31.700 0.216 0.000 0.949 494 L N 3.014 124.316 121.223 0.130 0.000 2.380 494 L HA 0.274 4.614 4.340 -0.001 0.000 0.273 494 L C -0.160 176.707 176.870 -0.005 0.000 1.138 494 L CA -0.416 54.325 54.840 -0.166 0.000 0.832 494 L CB -0.551 41.406 42.059 -0.171 0.000 1.124 494 L HN 0.207 nan 8.230 nan 0.000 0.454 495 F N 4.619 124.476 119.950 -0.155 0.000 2.445 495 F HA 0.477 5.004 4.527 -0.001 0.000 0.359 495 F C 0.291 176.065 175.800 -0.044 0.000 1.101 495 F CA -0.168 57.824 58.000 -0.014 0.000 1.177 495 F CB 0.487 39.505 39.000 0.030 0.000 1.110 495 F HN 0.661 nan 8.300 nan 0.000 0.522 496 T N 1.222 115.537 114.554 -0.398 0.000 2.924 496 T HA 0.270 4.620 4.350 -0.001 0.000 0.291 496 T C 0.920 175.385 174.700 -0.391 0.000 1.045 496 T CA -0.441 61.516 62.100 -0.238 0.000 1.015 496 T CB 1.501 70.279 68.868 -0.151 0.000 1.103 496 T HN 0.525 nan 8.240 nan 0.000 0.496 497 T N 0.618 115.088 114.554 -0.139 0.000 2.803 497 T HA -0.102 4.247 4.350 -0.001 0.000 0.269 497 T C 1.715 176.333 174.700 -0.136 0.000 1.052 497 T CA 1.616 63.663 62.100 -0.089 0.000 1.136 497 T CB -0.233 68.616 68.868 -0.032 0.000 0.864 497 T HN 0.715 nan 8.240 nan 0.000 0.467 498 K N 0.487 120.804 120.400 -0.138 0.000 2.005 498 K HA -0.057 4.263 4.320 -0.001 0.000 0.206 498 K C 2.231 178.752 176.600 -0.132 0.000 1.044 498 K CA 0.975 57.197 56.287 -0.107 0.000 0.942 498 K CB 0.149 32.602 32.500 -0.078 0.000 0.727 498 K HN 0.142 nan 8.250 nan 0.000 0.439 499 E N 0.697 120.793 120.200 -0.173 0.000 2.170 499 E HA -0.103 4.246 4.350 -0.001 0.000 0.191 499 E C 0.043 176.509 176.600 -0.223 0.000 0.981 499 E CA 0.426 56.735 56.400 -0.153 0.000 0.830 499 E CB 0.019 29.651 29.700 -0.114 0.000 0.775 499 E HN 0.341 nan 8.360 nan 0.000 0.470 500 Q N 0.864 120.348 119.800 -0.528 0.000 2.453 500 Q HA -0.200 4.139 4.340 -0.001 0.000 0.294 500 Q C -0.590 175.302 176.000 -0.180 0.000 1.295 500 Q CA 0.672 55.959 55.803 -0.860 0.000 0.853 500 Q CB -1.652 26.878 28.738 -0.347 0.000 1.193 500 Q HN 0.213 nan 8.270 nan 0.000 0.461 501 K N 0.581 120.928 120.400 -0.087 0.000 2.202 501 K HA 0.558 4.877 4.320 -0.001 0.000 0.264 501 K C 0.024 176.919 176.600 0.491 0.000 1.010 501 K CA 0.140 56.528 56.287 0.168 0.000 0.940 501 K CB 0.452 33.000 32.500 0.080 0.000 0.983 501 K HN 0.230 nan 8.250 nan 0.000 0.475 502 F N -0.204 119.908 119.950 0.270 0.000 2.686 502 F HA 0.583 5.109 4.527 -0.001 0.000 0.311 502 F C -1.140 174.761 175.800 0.168 0.000 1.128 502 F CA -1.487 56.708 58.000 0.325 0.000 0.946 502 F CB 0.759 39.966 39.000 0.346 0.000 1.336 502 F HN 0.429 nan 8.300 nan 0.000 0.457 503 I N -0.662 119.990 120.570 0.136 0.000 2.957 503 I HA 0.662 4.831 4.170 -0.001 0.000 0.310 503 I C -1.128 175.083 176.117 0.157 0.000 1.063 503 I CA -0.836 60.374 61.300 -0.150 0.000 1.033 503 I CB 2.052 39.780 38.000 -0.454 0.000 1.230 503 I HN 0.472 nan 8.210 nan 0.000 0.447 504 D N 2.902 123.373 120.400 0.118 0.000 2.294 504 D HA 0.492 5.132 4.640 -0.001 0.000 0.250 504 D C -0.945 175.442 176.300 0.144 0.000 1.058 504 D CA 0.014 54.202 54.000 0.313 0.000 0.950 504 D CB 2.206 43.192 40.800 0.310 0.000 1.158 504 D HN 0.246 nan 8.370 nan 0.000 0.453 505 L N 2.740 124.066 121.223 0.171 0.000 2.388 505 L HA 0.286 4.626 4.340 -0.001 0.000 0.267 505 L C -0.595 176.236 176.870 -0.066 0.000 0.995 505 L CA -0.380 54.518 54.840 0.096 0.000 0.864 505 L CB 0.102 42.305 42.059 0.240 0.000 1.216 505 L HN 0.499 nan 8.230 nan 0.000 0.430 506 N N -0.568 118.088 118.700 -0.073 0.000 3.449 506 N HA 0.319 5.059 4.740 -0.001 0.000 0.312 506 N C 0.303 175.724 175.510 -0.149 0.000 1.582 506 N CA -0.068 52.884 53.050 -0.164 0.000 0.850 506 N CB 0.439 38.879 38.487 -0.079 0.000 1.822 506 N HN 0.047 nan 8.380 nan 0.000 0.577 507 T N -3.585 110.855 114.554 -0.189 0.000 3.129 507 T HA 0.244 4.594 4.350 -0.001 0.000 0.251 507 T C -0.102 174.570 174.700 -0.047 0.000 1.117 507 T CA 0.194 62.209 62.100 -0.142 0.000 1.034 507 T CB -0.520 68.234 68.868 -0.190 0.000 0.968 507 T HN 0.480 nan 8.240 nan 0.000 0.526 508 E N 1.864 122.053 120.200 -0.018 0.000 2.280 508 E HA 0.399 4.749 4.350 -0.001 0.000 0.261 508 E C -2.605 174.001 176.600 0.009 0.000 1.088 508 E CA -2.593 53.812 56.400 0.008 0.000 0.915 508 E CB 0.431 30.148 29.700 0.028 0.000 1.141 508 E HN 0.155 nan 8.360 nan 0.000 0.433 509 P HA -0.067 nan 4.420 nan 0.000 0.268 509 P C -0.451 176.854 177.300 0.008 0.000 1.204 509 P CA 0.286 63.395 63.100 0.014 0.000 0.768 509 P CB 0.366 32.074 31.700 0.014 0.000 0.842 510 M N 3.397 123.005 119.600 0.012 0.000 2.255 510 M HA -0.075 4.404 4.480 -0.001 0.000 0.356 510 M C -0.401 175.860 176.300 -0.065 0.000 1.338 510 M CA 1.262 56.554 55.300 -0.013 0.000 0.962 510 M CB -0.049 32.559 32.600 0.013 0.000 1.877 510 M HN 0.218 nan 8.290 nan 0.000 0.463 511 K N 4.206 124.524 120.400 -0.136 0.000 2.471 511 K HA 0.507 4.826 4.320 -0.001 0.000 0.252 511 K C -1.531 174.743 176.600 -0.544 0.000 0.938 511 K CA -0.807 55.310 56.287 -0.284 0.000 0.796 511 K CB 2.345 34.702 32.500 -0.238 0.000 1.161 511 K HN 0.514 nan 8.250 nan 0.000 0.425 512 V N 4.539 124.144 119.914 -0.514 0.000 2.509 512 V HA 0.297 4.417 4.120 -0.001 0.000 0.284 512 V C 0.022 175.660 176.094 -0.759 0.000 1.047 512 V CA -0.418 61.569 62.300 -0.521 0.000 0.952 512 V CB 0.971 32.657 31.823 -0.227 0.000 0.988 512 V HN 0.720 nan 8.190 nan 0.000 0.469 513 H N 3.051 121.765 119.070 -0.594 0.000 2.927 513 H HA 0.675 5.230 4.556 -0.001 0.000 0.316 513 H C -0.962 174.132 175.328 -0.390 0.000 1.403 513 H CA -0.851 54.832 56.048 -0.608 0.000 1.288 513 H CB 1.976 31.145 29.762 -0.989 0.000 1.944 513 H HN 0.568 nan 8.280 nan 0.000 0.629 514 Q N 0.172 120.038 119.800 0.110 0.000 2.379 514 Q HA 0.366 4.706 4.340 -0.001 0.000 0.278 514 Q C -0.715 175.514 176.000 0.382 0.000 1.068 514 Q CA -0.896 55.059 55.803 0.254 0.000 0.816 514 Q CB 2.950 31.751 28.738 0.105 0.000 1.387 514 Q HN 0.466 nan 8.270 nan 0.000 0.413 515 R N 0.951 121.656 120.500 0.343 0.000 3.079 515 R HA -0.207 4.133 4.340 -0.001 0.000 0.254 515 R C -0.541 175.884 176.300 0.207 0.000 0.900 515 R CA -0.130 56.115 56.100 0.243 0.000 0.641 515 R CB -1.496 28.895 30.300 0.150 0.000 1.307 515 R HN 0.469 nan 8.270 nan 0.000 0.477 516 L N 2.300 123.578 121.223 0.091 0.000 2.660 516 L HA -0.051 4.289 4.340 -0.001 0.000 0.272 516 L C 0.857 177.678 176.870 -0.081 0.000 1.194 516 L CA 0.784 55.467 54.840 -0.263 0.000 0.945 516 L CB -0.158 41.435 42.059 -0.776 0.000 1.212 516 L HN 0.446 nan 8.230 nan 0.000 0.490 517 R N 2.224 122.690 120.500 -0.057 0.000 3.266 517 R HA -0.207 4.132 4.340 -0.001 0.000 0.245 517 R C 1.267 177.621 176.300 0.090 0.000 0.941 517 R CA 0.612 56.728 56.100 0.027 0.000 0.638 517 R CB -1.898 28.437 30.300 0.058 0.000 1.019 517 R HN 0.775 nan 8.270 nan 0.000 0.462 518 V N -3.091 116.875 119.914 0.087 0.000 2.287 518 V HA -0.337 3.783 4.120 -0.001 0.000 0.248 518 V C 2.272 178.435 176.094 0.116 0.000 1.053 518 V CA 2.073 64.439 62.300 0.110 0.000 1.027 518 V CB -0.471 31.412 31.823 0.099 0.000 0.646 518 V HN 0.319 nan 8.190 nan 0.000 0.447 519 Q N -0.125 119.724 119.800 0.082 0.000 2.014 519 Q HA -0.203 4.137 4.340 -0.001 0.000 0.207 519 Q C 2.189 178.249 176.000 0.100 0.000 0.993 519 Q CA 2.489 58.328 55.803 0.059 0.000 0.850 519 Q CB -0.450 28.292 28.738 0.007 0.000 0.916 519 Q HN 0.569 nan 8.270 nan 0.000 0.417 520 M N -0.864 118.818 119.600 0.137 0.000 2.099 520 M HA -0.108 4.372 4.480 -0.001 0.000 0.262 520 M C 2.657 179.239 176.300 0.471 0.000 1.067 520 M CA 1.622 57.086 55.300 0.273 0.000 1.124 520 M CB -1.921 30.908 32.600 0.381 0.000 1.353 520 M HN 0.612 nan 8.290 nan 0.000 0.410 521 C N -0.161 119.368 119.300 0.381 0.000 2.411 521 C HA -0.016 4.443 4.460 -0.001 0.000 0.279 521 C C 2.915 178.089 174.990 0.305 0.000 1.288 521 C CA 1.141 60.381 59.018 0.370 0.000 1.764 521 C CB -1.370 26.518 27.740 0.247 0.000 1.974 521 C HN 0.313 nan 8.230 nan 0.000 0.498 522 V N -0.241 119.815 119.914 0.237 0.000 2.515 522 V HA -0.163 3.957 4.120 -0.001 0.000 0.250 522 V C 2.296 178.510 176.094 0.201 0.000 1.058 522 V CA 2.180 64.591 62.300 0.186 0.000 1.064 522 V CB -0.845 31.061 31.823 0.138 0.000 0.675 522 V HN 0.709 nan 8.190 nan 0.000 0.461 523 F N -0.070 119.923 119.950 0.073 0.000 2.084 523 F HA -0.171 4.356 4.527 -0.001 0.000 0.296 523 F C 1.962 177.756 175.800 -0.011 0.000 1.111 523 F CA 1.681 59.675 58.000 -0.010 0.000 1.224 523 F CB -0.391 38.483 39.000 -0.210 0.000 0.991 523 F HN 0.171 nan 8.300 nan 0.000 0.471 524 W N 0.543 121.951 121.300 0.181 0.000 2.467 524 W HA -0.078 4.582 4.660 -0.001 0.000 0.275 524 W C 1.949 178.450 176.519 -0.031 0.000 1.239 524 W CA 0.752 58.130 57.345 0.056 0.000 1.266 524 W CB -0.407 29.201 29.460 0.245 0.000 1.112 524 W HN -0.014 nan 8.180 nan 0.000 0.576 525 N N -0.857 117.958 118.700 0.192 0.000 2.388 525 N HA 0.001 4.741 4.740 -0.001 0.000 0.176 525 N C 1.357 176.863 175.510 -0.007 0.000 1.062 525 N CA 0.826 53.903 53.050 0.046 0.000 0.895 525 N CB 0.022 38.549 38.487 0.066 0.000 1.018 525 N HN 0.363 nan 8.380 nan 0.000 0.456 526 Q N -1.130 118.686 119.800 0.026 0.000 2.644 526 Q HA 0.206 4.546 4.340 -0.001 0.000 0.220 526 Q C 1.184 177.179 176.000 -0.008 0.000 0.866 526 Q CA -0.122 55.697 55.803 0.025 0.000 0.915 526 Q CB 0.110 28.898 28.738 0.084 0.000 1.191 526 Q HN 0.101 nan 8.270 nan 0.000 0.641 527 F N 1.963 121.816 119.950 -0.162 0.000 2.060 527 F HA -0.167 4.360 4.527 -0.001 0.000 0.295 527 F C 2.001 177.600 175.800 -0.335 0.000 1.120 527 F CA 1.002 58.871 58.000 -0.218 0.000 1.205 527 F CB -0.337 38.547 39.000 -0.193 0.000 0.986 527 F HN 0.042 nan 8.300 nan 0.000 0.470 528 L N 1.256 122.052 121.223 -0.712 0.000 2.013 528 L HA -0.113 4.227 4.340 -0.001 0.000 0.212 528 L C -0.839 175.753 176.870 -0.463 0.000 1.073 528 L CA 2.289 56.669 54.840 -0.768 0.000 0.753 528 L CB -2.034 39.496 42.059 -0.883 0.000 0.890 528 L HN 0.012 nan 8.230 nan 0.000 0.432 529 P HA -0.210 nan 4.420 nan 0.000 0.216 529 P C 1.495 178.671 177.300 -0.208 0.000 1.150 529 P CA 1.671 64.666 63.100 -0.174 0.000 0.837 529 P CB -0.047 31.584 31.700 -0.114 0.000 0.786 530 K N -0.207 120.033 120.400 -0.266 0.000 2.057 530 K HA -0.126 4.194 4.320 -0.001 0.000 0.206 530 K C 2.030 178.444 176.600 -0.310 0.000 1.050 530 K CA 0.972 57.113 56.287 -0.244 0.000 0.935 530 K CB -0.792 31.578 32.500 -0.217 0.000 0.715 530 K HN 0.034 nan 8.250 nan 0.000 0.439 531 L N 0.983 121.896 121.223 -0.516 0.000 1.994 531 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 531 L C 2.077 178.789 176.870 -0.264 0.000 1.071 531 L CA 1.345 55.907 54.840 -0.464 0.000 0.745 531 L CB -0.211 41.442 42.059 -0.677 0.000 0.892 531 L HN 0.249 nan 8.230 nan 0.000 0.431 532 L N -0.037 121.043 121.223 -0.240 0.000 2.131 532 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 532 L C 2.408 179.216 176.870 -0.103 0.000 1.092 532 L CA 1.556 56.308 54.840 -0.147 0.000 0.759 532 L CB -0.833 41.159 42.059 -0.113 0.000 0.903 532 L HN 0.515 nan 8.230 nan 0.000 0.435 533 N N 0.238 118.873 118.700 -0.109 0.000 2.354 533 N HA -0.100 4.640 4.740 -0.001 0.000 0.179 533 N C 1.766 177.235 175.510 -0.069 0.000 1.021 533 N CA 1.027 54.032 53.050 -0.075 0.000 0.887 533 N CB 0.307 38.751 38.487 -0.072 0.000 0.974 533 N HN 0.299 nan 8.380 nan 0.000 0.437 534 A N 0.224 122.991 122.820 -0.089 0.000 1.975 534 A HA 0.051 4.371 4.320 -0.001 0.000 0.215 534 A C 1.373 178.922 177.584 -0.059 0.000 1.170 534 A CA 1.130 53.125 52.037 -0.069 0.000 0.656 534 A CB -0.370 18.583 19.000 -0.079 0.000 0.821 534 A HN 0.503 nan 8.150 nan 0.000 0.449 535 T N 0.000 114.511 114.554 -0.071 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.066 62.100 -0.056 0.000 1.349 535 T CB 0.000 68.831 68.868 -0.062 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658