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 2c58_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 VTIFGEXAGG 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 ATA 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 0.000 174.643 174.600 0.072 0.000 1.055 4 S CA 0.000 58.228 58.200 0.047 0.000 1.107 4 S CB 0.000 63.227 63.200 0.046 0.000 0.593 5 E N 3.128 123.374 120.200 0.077 0.000 2.204 5 E HA -0.035 4.315 4.350 -0.001 0.000 0.195 5 E C 1.005 177.718 176.600 0.187 0.000 0.990 5 E CA 1.116 57.586 56.400 0.117 0.000 0.821 5 E CB -0.034 29.727 29.700 0.101 0.000 0.750 5 E HN 0.765 nan 8.360 nan 0.000 0.477 6 L N 1.145 122.446 121.223 0.129 0.000 2.612 6 L HA 0.149 4.489 4.340 -0.001 0.000 0.230 6 L C 0.424 177.443 176.870 0.249 0.000 1.140 6 L CA -0.228 54.677 54.840 0.109 0.000 0.896 6 L CB 0.293 42.329 42.059 -0.038 0.000 1.065 6 L HN 0.188 nan 8.230 nan 0.000 0.447 7 L N 1.309 122.667 121.223 0.225 0.000 2.305 7 L HA 0.537 4.877 4.340 -0.001 0.000 0.284 7 L C -0.873 176.076 176.870 0.133 0.000 1.013 7 L CA -0.190 54.769 54.840 0.199 0.000 0.819 7 L CB 1.825 43.950 42.059 0.110 0.000 1.227 7 L HN -0.282 nan 8.230 nan 0.000 0.417 8 V N 4.669 124.642 119.914 0.099 0.000 2.656 8 V HA 0.423 4.542 4.120 -0.001 0.000 0.307 8 V C -0.350 175.657 176.094 -0.144 0.000 1.051 8 V CA -0.892 61.300 62.300 -0.179 0.000 0.893 8 V CB 2.299 33.700 31.823 -0.703 0.000 0.999 8 V HN 0.780 nan 8.190 nan 0.000 0.426 9 N N 2.643 121.188 118.700 -0.259 0.000 2.444 9 N HA 0.544 5.283 4.740 -0.001 0.000 0.262 9 N C -0.226 174.957 175.510 -0.544 0.000 0.974 9 N CA -0.161 52.717 53.050 -0.285 0.000 0.933 9 N CB 1.499 39.818 38.487 -0.280 0.000 1.137 9 N HN 0.913 nan 8.380 nan 0.000 0.498 10 T N 0.065 114.423 114.554 -0.328 0.000 2.937 10 T HA 0.374 4.723 4.350 -0.001 0.000 0.283 10 T C 0.993 175.492 174.700 -0.336 0.000 1.012 10 T CA -0.589 61.321 62.100 -0.317 0.000 0.997 10 T CB 1.128 70.061 68.868 0.109 0.000 1.136 10 T HN 0.392 nan 8.240 nan 0.000 0.551 11 K N 0.266 120.534 120.400 -0.221 0.000 2.362 11 K HA 0.019 4.338 4.320 -0.001 0.000 0.200 11 K C 1.946 178.416 176.600 -0.216 0.000 1.046 11 K CA 0.830 57.009 56.287 -0.180 0.000 0.952 11 K CB -0.069 32.383 32.500 -0.079 0.000 0.753 11 K HN 0.438 nan 8.250 nan 0.000 0.466 12 S N -0.244 115.306 115.700 -0.251 0.000 2.517 12 S HA 0.177 4.647 4.470 -0.001 0.000 0.214 12 S C 0.555 174.410 174.600 -1.242 0.000 0.991 12 S CA 0.271 58.183 58.200 -0.481 0.000 0.906 12 S CB 0.917 64.038 63.200 -0.132 0.000 0.789 12 S HN 0.549 nan 8.310 nan 0.000 0.513 13 G N 1.108 109.383 108.800 -0.875 0.000 2.361 13 G HA2 0.108 4.067 3.960 -0.001 0.000 0.331 13 G HA3 0.108 4.067 3.960 -0.001 0.000 0.331 13 G C -1.803 173.014 174.900 -0.139 0.000 1.324 13 G CA -1.168 43.409 45.100 -0.871 0.000 0.984 13 G HN 0.098 nan 8.290 nan 0.000 0.586 14 K N -0.522 119.985 120.400 0.180 0.000 2.185 14 K HA 0.628 4.947 4.320 -0.001 0.000 0.271 14 K C 0.220 177.187 176.600 0.612 0.000 1.013 14 K CA -0.430 56.041 56.287 0.306 0.000 0.943 14 K CB 1.877 34.502 32.500 0.209 0.000 0.998 14 K HN 1.133 nan 8.250 nan 0.000 0.468 15 V N -0.600 119.606 119.914 0.487 0.000 2.876 15 V HA 0.596 4.716 4.120 -0.001 0.000 0.312 15 V C -1.010 175.362 176.094 0.463 0.000 1.085 15 V CA -1.177 61.461 62.300 0.563 0.000 0.945 15 V CB 1.765 33.982 31.823 0.656 0.000 1.017 15 V HN 0.761 nan 8.190 nan 0.000 0.428 16 M N 4.287 124.117 119.600 0.385 0.000 2.125 16 M HA 0.850 5.329 4.480 -0.001 0.000 0.321 16 M C 0.217 176.607 176.300 0.149 0.000 0.983 16 M CA 0.097 55.547 55.300 0.249 0.000 0.934 16 M CB 0.787 33.466 32.600 0.132 0.000 1.542 16 M HN 1.155 nan 8.290 nan 0.000 0.424 17 G N 1.703 110.469 108.800 -0.056 0.000 2.509 17 G HA2 0.602 4.561 3.960 -0.001 0.000 0.269 17 G HA3 0.602 4.561 3.960 -0.001 0.000 0.269 17 G C -1.034 173.656 174.900 -0.351 0.000 1.416 17 G CA -0.331 44.435 45.100 -0.557 0.000 1.052 17 G HN 0.706 nan 8.290 nan 0.000 0.542 18 T N -1.502 112.807 114.554 -0.409 0.000 2.916 18 T HA 0.500 4.849 4.350 -0.001 0.000 0.305 18 T C -0.753 173.830 174.700 -0.195 0.000 1.119 18 T CA -0.685 61.276 62.100 -0.230 0.000 1.008 18 T CB 1.464 70.221 68.868 -0.185 0.000 1.129 18 T HN 0.533 nan 8.240 nan 0.000 0.480 19 R N 2.829 123.269 120.500 -0.100 0.000 2.265 19 R HA 0.622 4.961 4.340 -0.001 0.000 0.314 19 R C -0.448 175.865 176.300 0.021 0.000 1.053 19 R CA -0.489 55.596 56.100 -0.025 0.000 0.931 19 R CB 0.396 30.695 30.300 -0.002 0.000 1.024 19 R HN 0.542 nan 8.270 nan 0.000 0.457 20 V N 2.776 122.717 119.914 0.045 0.000 2.604 20 V HA 0.683 4.803 4.120 -0.001 0.000 0.305 20 V C -2.501 173.574 176.094 -0.031 0.000 1.043 20 V CA -2.637 59.675 62.300 0.020 0.000 0.888 20 V CB 1.692 33.520 31.823 0.009 0.000 0.995 20 V HN 0.752 nan 8.190 nan 0.000 0.429 21 P HA 0.462 nan 4.420 nan 0.000 0.278 21 P C -0.918 176.170 177.300 -0.353 0.000 1.238 21 P CA -0.243 62.561 63.100 -0.493 0.000 0.794 21 P CB 2.091 33.552 31.700 -0.399 0.000 0.955 22 V N 5.439 125.087 119.914 -0.443 0.000 2.739 22 V HA 0.176 4.295 4.120 -0.001 0.000 0.293 22 V C -0.792 175.039 176.094 -0.439 0.000 1.199 22 V CA -0.817 61.261 62.300 -0.371 0.000 0.931 22 V CB 0.942 32.508 31.823 -0.428 0.000 1.052 22 V HN 0.303 nan 8.190 nan 0.000 0.441 23 L N 5.988 127.099 121.223 -0.186 0.000 3.823 23 L HA -0.148 4.191 4.340 -0.001 0.000 0.525 23 L C 1.023 177.799 176.870 -0.155 0.000 1.247 23 L CA 2.021 56.787 54.840 -0.123 0.000 0.776 23 L CB -1.948 40.093 42.059 -0.031 0.000 1.443 23 L HN 2.116 nan 8.230 nan 0.000 0.831 24 S N -2.368 113.244 115.700 -0.146 0.000 3.614 24 S HA -0.171 4.299 4.470 -0.001 0.000 0.360 24 S C 0.365 174.904 174.600 -0.101 0.000 1.023 24 S CA 1.276 59.417 58.200 -0.098 0.000 1.114 24 S CB -1.346 61.840 63.200 -0.023 0.000 0.907 24 S HN 1.637 nan 8.310 nan 0.000 0.470 25 S N -0.651 114.891 115.700 -0.263 0.000 2.724 25 S HA 0.790 5.259 4.470 -0.001 0.000 0.278 25 S C -1.656 172.703 174.600 -0.402 0.000 1.190 25 S CA -0.531 57.580 58.200 -0.149 0.000 0.860 25 S CB 0.935 64.056 63.200 -0.131 0.000 1.206 25 S HN 0.795 nan 8.310 nan 0.000 0.507 26 H N -0.131 118.883 119.070 -0.093 0.000 2.985 26 H HA 0.822 5.378 4.556 -0.001 0.000 0.360 26 H C -0.497 174.846 175.328 0.025 0.000 1.221 26 H CA -0.163 55.852 56.048 -0.055 0.000 1.121 26 H CB 1.437 31.189 29.762 -0.017 0.000 1.854 26 H HN 0.774 nan 8.280 nan 0.000 0.551 27 I N -2.550 118.120 120.570 0.166 0.000 3.263 27 I HA 0.684 4.854 4.170 -0.001 0.000 0.314 27 I C -1.140 175.069 176.117 0.153 0.000 1.269 27 I CA -0.997 60.419 61.300 0.193 0.000 0.942 27 I CB 2.445 40.588 38.000 0.239 0.000 1.305 27 I HN 0.409 nan 8.210 nan 0.000 0.474 28 S N 1.327 117.130 115.700 0.171 0.000 2.616 28 S HA 0.862 5.331 4.470 -0.001 0.000 0.277 28 S C -0.293 174.320 174.600 0.022 0.000 1.234 28 S CA -0.429 57.805 58.200 0.057 0.000 1.028 28 S CB 1.525 64.817 63.200 0.154 0.000 0.988 28 S HN 0.902 nan 8.310 nan 0.000 0.522 29 A N 1.837 124.487 122.820 -0.283 0.000 2.427 29 A HA 0.753 5.073 4.320 -0.001 0.000 0.298 29 A C -1.500 175.756 177.584 -0.546 0.000 1.036 29 A CA -0.639 51.170 52.037 -0.380 0.000 0.701 29 A CB 0.565 19.320 19.000 -0.408 0.000 1.250 29 A HN 0.629 nan 8.150 nan 0.000 0.412 30 F N 2.874 122.693 119.950 -0.219 0.000 2.434 30 F HA 0.463 4.989 4.527 -0.001 0.000 0.367 30 F C -0.163 175.524 175.800 -0.188 0.000 1.093 30 F CA -0.416 57.540 58.000 -0.073 0.000 1.085 30 F CB 1.231 40.300 39.000 0.115 0.000 1.322 30 F HN 0.368 nan 8.300 nan 0.000 0.452 31 L N 2.211 123.384 121.223 -0.083 0.000 2.307 31 L HA 0.682 5.022 4.340 -0.001 0.000 0.282 31 L C 1.024 177.928 176.870 0.058 0.000 1.051 31 L CA -0.863 53.922 54.840 -0.091 0.000 0.804 31 L CB 1.415 43.325 42.059 -0.249 0.000 1.197 31 L HN 0.834 nan 8.230 nan 0.000 0.431 32 G N 3.141 112.004 108.800 0.105 0.000 2.198 32 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.257 32 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.257 32 G C -0.048 174.963 174.900 0.185 0.000 1.042 32 G CA -0.383 44.792 45.100 0.126 0.000 0.791 32 G HN 0.501 nan 8.290 nan 0.000 0.502 33 I N 2.227 122.820 120.570 0.039 0.000 2.471 33 I HA 0.214 4.384 4.170 -0.001 0.000 0.286 33 I C -1.301 174.617 176.117 -0.331 0.000 1.079 33 I CA -1.958 59.193 61.300 -0.247 0.000 1.398 33 I CB 0.947 38.781 38.000 -0.277 0.000 1.403 33 I HN 0.002 nan 8.210 nan 0.000 0.530 34 P HA 0.067 nan 4.420 nan 0.000 0.279 34 P C -0.365 176.567 177.300 -0.612 0.000 1.239 34 P CA -0.017 62.594 63.100 -0.816 0.000 0.789 34 P CB 0.735 31.846 31.700 -0.981 0.000 0.933 35 F N 0.384 119.994 119.950 -0.566 0.000 2.798 35 F HA 0.746 5.273 4.527 -0.001 0.000 0.328 35 F C -0.118 175.579 175.800 -0.172 0.000 1.098 35 F CA -0.838 56.905 58.000 -0.429 0.000 1.172 35 F CB 0.113 38.839 39.000 -0.456 0.000 1.072 35 F HN 0.383 nan 8.300 nan 0.000 0.555 36 A N 0.047 122.504 122.820 -0.605 0.000 2.606 36 A HA 0.598 4.918 4.320 -0.001 0.000 0.293 36 A C -0.967 176.413 177.584 -0.341 0.000 1.082 36 A CA -0.777 51.051 52.037 -0.349 0.000 0.685 36 A CB 1.071 19.847 19.000 -0.374 0.000 1.284 36 A HN 0.062 nan 8.150 nan 0.000 0.408 37 E N 0.866 120.964 120.200 -0.169 0.000 2.383 37 E HA 0.280 4.629 4.350 -0.001 0.000 0.264 37 E C -2.357 174.147 176.600 -0.161 0.000 1.050 37 E CA -1.407 54.918 56.400 -0.126 0.000 0.896 37 E CB 0.164 29.837 29.700 -0.045 0.000 0.982 37 E HN 0.238 nan 8.360 nan 0.000 0.424 38 P HA 0.001 nan 4.420 nan 0.000 0.260 38 P C -2.172 175.076 177.300 -0.087 0.000 1.185 38 P CA -0.660 62.371 63.100 -0.114 0.000 0.763 38 P CB 0.016 31.687 31.700 -0.049 0.000 0.776 39 P HA -0.005 nan 4.420 nan 0.000 0.228 39 P C -0.182 177.068 177.300 -0.084 0.000 1.748 39 P CA 0.160 63.212 63.100 -0.079 0.000 0.909 39 P CB -0.131 31.523 31.700 -0.077 0.000 1.882 40 V N -3.028 116.846 119.914 -0.068 0.000 3.093 40 V HA 0.886 5.005 4.120 -0.001 0.000 0.320 40 V C 1.044 177.109 176.094 -0.049 0.000 1.093 40 V CA 0.145 62.405 62.300 -0.066 0.000 1.016 40 V CB 0.647 32.440 31.823 -0.050 0.000 1.096 40 V HN 0.517 nan 8.190 nan 0.000 0.452 41 G N 2.866 111.640 108.800 -0.044 0.000 2.596 41 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.304 41 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.304 41 G C 0.484 175.373 174.900 -0.018 0.000 1.189 41 G CA 1.342 46.429 45.100 -0.022 0.000 0.986 41 G HN 1.998 nan 8.290 nan 0.000 0.548 42 N N 0.311 119.016 118.700 0.008 0.000 2.515 42 N HA 0.175 4.914 4.740 -0.001 0.000 0.185 42 N C 1.834 177.358 175.510 0.023 0.000 1.109 42 N CA 1.661 54.730 53.050 0.032 0.000 0.903 42 N CB 0.015 38.531 38.487 0.048 0.000 0.969 42 N HN 0.439 nan 8.380 nan 0.000 0.450 43 M N 0.034 119.630 119.600 -0.006 0.000 2.556 43 M HA 0.092 4.572 4.480 -0.001 0.000 0.245 43 M C 0.617 176.892 176.300 -0.042 0.000 1.128 43 M CA 0.043 55.338 55.300 -0.009 0.000 1.069 43 M CB -0.496 32.093 32.600 -0.017 0.000 1.469 43 M HN 0.261 nan 8.290 nan 0.000 0.494 44 R N 0.524 120.955 120.500 -0.114 0.000 2.522 44 R HA -0.026 4.314 4.340 -0.001 0.000 0.284 44 R C -0.349 175.785 176.300 -0.277 0.000 1.032 44 R CA 0.552 56.459 56.100 -0.322 0.000 1.049 44 R CB 0.136 30.115 30.300 -0.535 0.000 0.956 44 R HN 0.202 nan 8.270 nan 0.000 0.422 45 F N -0.236 119.725 119.950 0.018 0.000 2.502 45 F HA -0.278 4.248 4.527 -0.001 0.000 0.480 45 F C 0.431 176.222 175.800 -0.016 0.000 0.543 45 F CA 0.819 58.806 58.000 -0.022 0.000 1.350 45 F CB -1.380 37.596 39.000 -0.040 0.000 1.999 45 F HN 0.626 nan 8.300 nan 0.000 0.267 46 R N 1.103 121.682 120.500 0.131 0.000 2.543 46 R HA 0.555 4.895 4.340 -0.001 0.000 0.268 46 R C 0.696 177.030 176.300 0.056 0.000 1.067 46 R CA -0.922 55.231 56.100 0.087 0.000 1.142 46 R CB 0.633 30.972 30.300 0.064 0.000 1.110 46 R HN 0.085 nan 8.270 nan 0.000 0.549 47 R N 1.800 122.332 120.500 0.053 0.000 2.811 47 R HA 0.045 4.385 4.340 -0.001 0.000 0.265 47 R C -1.950 174.376 176.300 0.044 0.000 1.026 47 R CA -0.906 55.224 56.100 0.050 0.000 1.142 47 R CB -0.083 30.252 30.300 0.057 0.000 1.027 47 R HN 0.397 nan 8.270 nan 0.000 0.465 48 P HA 0.109 nan 4.420 nan 0.000 0.282 48 P C -1.165 176.165 177.300 0.051 0.000 1.249 48 P CA -0.156 62.972 63.100 0.046 0.000 0.806 48 P CB 0.971 32.720 31.700 0.083 0.000 0.984 49 E N 3.314 123.531 120.200 0.028 0.000 2.191 49 E HA 0.337 4.686 4.350 -0.001 0.000 0.274 49 E C -2.070 174.555 176.600 0.041 0.000 0.948 49 E CA -2.434 53.987 56.400 0.036 0.000 0.802 49 E CB 1.055 30.769 29.700 0.023 0.000 1.137 49 E HN 0.406 nan 8.360 nan 0.000 0.397 50 P HA -0.051 nan 4.420 nan 0.000 0.269 50 P C -0.605 176.739 177.300 0.074 0.000 1.209 50 P CA -0.212 62.950 63.100 0.103 0.000 0.776 50 P CB 0.627 32.398 31.700 0.118 0.000 0.876 51 K N 3.518 123.966 120.400 0.081 0.000 2.416 51 K HA 0.041 4.360 4.320 -0.001 0.000 0.283 51 K C 0.060 176.739 176.600 0.130 0.000 1.037 51 K CA 0.286 56.614 56.287 0.069 0.000 0.995 51 K CB -0.116 32.413 32.500 0.048 0.000 0.938 51 K HN 0.225 nan 8.250 nan 0.000 0.475 52 K N 6.824 127.297 120.400 0.122 0.000 2.416 52 K HA 0.091 4.411 4.320 -0.001 0.000 0.283 52 K C -2.010 174.691 176.600 0.169 0.000 1.037 52 K CA -1.483 54.877 56.287 0.121 0.000 0.995 52 K CB 0.158 32.724 32.500 0.110 0.000 0.938 52 K HN 0.616 nan 8.250 nan 0.000 0.475 53 P HA -0.097 nan 4.420 nan 0.000 0.266 53 P C -1.108 176.216 177.300 0.040 0.000 1.193 53 P CA 0.117 63.154 63.100 -0.106 0.000 0.770 53 P CB 0.257 31.855 31.700 -0.171 0.000 0.836 54 W N 1.120 122.494 121.300 0.122 0.000 2.719 54 W HA 0.675 5.334 4.660 -0.001 0.000 0.352 54 W C -0.597 175.999 176.519 0.127 0.000 1.085 54 W CA -1.236 56.199 57.345 0.150 0.000 1.187 54 W CB 0.392 30.006 29.460 0.256 0.000 1.417 54 W HN 0.268 nan 8.180 nan 0.000 0.557 55 S N 1.557 117.460 115.700 0.338 0.000 2.585 55 S HA 0.730 5.200 4.470 -0.001 0.000 0.277 55 S C 0.431 175.227 174.600 0.328 0.000 1.241 55 S CA 0.734 59.067 58.200 0.221 0.000 1.041 55 S CB 0.193 63.477 63.200 0.140 0.000 0.987 55 S HN 1.873 nan 8.310 nan 0.000 0.512 56 G N 1.893 110.839 108.800 0.243 0.000 2.545 56 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.216 56 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.216 56 G C -1.085 174.016 174.900 0.335 0.000 1.314 56 G CA -0.334 44.905 45.100 0.230 0.000 0.906 56 G HN 1.367 nan 8.290 nan 0.000 0.563 57 V N 0.524 120.591 119.914 0.256 0.000 2.448 57 V HA 0.574 4.694 4.120 -0.001 0.000 0.295 57 V C 0.103 176.325 176.094 0.214 0.000 1.025 57 V CA -0.564 61.910 62.300 0.291 0.000 0.859 57 V CB 1.864 33.792 31.823 0.176 0.000 0.988 57 V HN 0.743 nan 8.190 nan 0.000 0.431 58 W N 4.842 126.211 121.300 0.116 0.000 2.322 58 W HA 0.315 4.975 4.660 -0.001 0.000 0.307 58 W C 0.049 176.553 176.519 -0.025 0.000 1.220 58 W CA -0.491 56.767 57.345 -0.145 0.000 1.210 58 W CB 1.151 30.339 29.460 -0.455 0.000 1.223 58 W HN 0.686 nan 8.180 nan 0.000 0.511 59 N N 4.418 122.919 118.700 -0.331 0.000 2.402 59 N HA 0.264 5.003 4.740 -0.001 0.000 0.252 59 N C -0.423 175.112 175.510 0.041 0.000 1.118 59 N CA 0.140 53.113 53.050 -0.129 0.000 0.945 59 N CB 0.911 39.258 38.487 -0.234 0.000 1.147 59 N HN 0.347 nan 8.380 nan 0.000 0.495 60 A N 2.749 125.686 122.820 0.196 0.000 3.213 60 A HA 0.223 4.542 4.320 -0.001 0.000 0.308 60 A C 1.006 178.599 177.584 0.014 0.000 1.177 60 A CA -0.367 51.798 52.037 0.214 0.000 1.010 60 A CB -0.566 18.647 19.000 0.356 0.000 1.092 60 A HN 0.662 nan 8.150 nan 0.000 0.583 61 S N -0.883 114.789 115.700 -0.047 0.000 2.502 61 S HA 0.150 4.620 4.470 -0.001 0.000 0.215 61 S C 0.841 175.351 174.600 -0.151 0.000 1.009 61 S CA 0.667 58.797 58.200 -0.117 0.000 0.908 61 S CB -0.233 62.905 63.200 -0.103 0.000 0.801 61 S HN 0.854 nan 8.310 nan 0.000 0.505 62 T N -1.208 113.273 114.554 -0.122 0.000 2.896 62 T HA 0.647 4.997 4.350 -0.001 0.000 0.297 62 T C -0.865 173.793 174.700 -0.070 0.000 1.108 62 T CA -0.800 61.217 62.100 -0.138 0.000 1.004 62 T CB 0.707 69.522 68.868 -0.090 0.000 1.159 62 T HN 0.046 nan 8.240 nan 0.000 0.499 63 Y N 2.501 122.769 120.300 -0.054 0.000 2.550 63 Y HA 0.356 4.906 4.550 -0.001 0.000 0.343 63 Y C -1.458 174.381 175.900 -0.102 0.000 1.245 63 Y CA -1.260 56.810 58.100 -0.051 0.000 1.462 63 Y CB 0.123 38.573 38.460 -0.017 0.000 1.340 63 Y HN 0.546 nan 8.280 nan 0.000 0.604 64 P HA 0.151 nan 4.420 nan 0.000 0.287 64 P C -0.751 176.467 177.300 -0.136 0.000 1.296 64 P CA -0.607 62.373 63.100 -0.199 0.000 0.811 64 P CB 1.077 32.528 31.700 -0.415 0.000 1.211 65 N N 0.146 118.733 118.700 -0.188 0.000 2.371 65 N HA 0.110 4.849 4.740 -0.001 0.000 0.243 65 N C 0.061 175.535 175.510 -0.061 0.000 1.287 65 N CA 0.258 53.247 53.050 -0.101 0.000 0.911 65 N CB -0.105 38.332 38.487 -0.085 0.000 1.142 65 N HN 0.421 nan 8.380 nan 0.000 0.451 66 N N -0.882 117.779 118.700 -0.065 0.000 2.472 66 N HA 0.320 5.060 4.740 -0.001 0.000 0.289 66 N C -0.504 174.969 175.510 -0.063 0.000 1.156 66 N CA -0.705 52.304 53.050 -0.068 0.000 0.940 66 N CB 1.133 39.558 38.487 -0.102 0.000 1.200 66 N HN 0.400 nan 8.380 nan 0.000 0.511 67 c N 1.120 119.685 118.600 -0.058 0.000 2.657 67 c HA 0.082 4.651 4.570 -0.001 0.000 0.404 67 c C 0.554 174.572 174.090 -0.120 0.000 1.291 67 c CA -0.635 55.644 56.329 -0.084 0.000 2.218 67 c CB 0.065 42.556 42.510 -0.033 0.000 2.687 67 c HN 0.527 nan 8.230 nan 0.000 0.634 68 Q N 2.578 122.227 119.800 -0.252 0.000 2.274 68 Q HA 0.205 4.544 4.340 -0.001 0.000 0.280 68 Q C -0.071 175.918 176.000 -0.019 0.000 1.047 68 Q CA 0.969 56.620 55.803 -0.253 0.000 0.907 68 Q CB 0.441 28.777 28.738 -0.669 0.000 1.171 68 Q HN 0.881 nan 8.270 nan 0.000 0.381 69 Q N 1.483 121.349 119.800 0.110 0.000 2.522 69 Q HA 0.304 4.644 4.340 -0.001 0.000 0.285 69 Q C -1.276 174.915 176.000 0.317 0.000 0.982 69 Q CA -1.015 54.944 55.803 0.260 0.000 0.805 69 Q CB 0.766 29.618 28.738 0.190 0.000 1.457 69 Q HN 0.473 nan 8.270 nan 0.000 0.394 70 Y N 1.092 121.594 120.300 0.337 0.000 2.578 70 Y HA 0.356 4.906 4.550 -0.001 0.000 0.339 70 Y C -1.065 175.025 175.900 0.317 0.000 1.231 70 Y CA 0.373 58.700 58.100 0.378 0.000 1.461 70 Y CB 0.896 39.706 38.460 0.583 0.000 1.323 70 Y HN 0.450 nan 8.280 nan 0.000 0.590 71 V N 6.240 125.886 119.914 -0.447 0.000 2.487 71 V HA 0.144 4.264 4.120 -0.001 0.000 0.298 71 V C -0.706 175.082 176.094 -0.510 0.000 1.028 71 V CA -1.135 60.987 62.300 -0.296 0.000 0.860 71 V CB 1.565 33.308 31.823 -0.135 0.000 0.991 71 V HN 0.760 nan 8.190 nan 0.000 0.427 72 D N 3.959 124.295 120.400 -0.107 0.000 2.346 72 D HA 0.126 4.766 4.640 -0.001 0.000 0.260 72 D C 0.508 176.851 176.300 0.072 0.000 1.252 72 D CA 0.249 54.304 54.000 0.091 0.000 0.895 72 D CB 0.914 41.934 40.800 0.368 0.000 1.097 72 D HN 0.550 nan 8.370 nan 0.000 0.489 73 E N 3.109 123.316 120.200 0.013 0.000 2.812 73 E HA -0.049 4.301 4.350 -0.001 0.000 0.211 73 E C 0.922 177.493 176.600 -0.049 0.000 0.986 73 E CA -0.113 56.289 56.400 0.003 0.000 1.119 73 E CB 0.781 30.460 29.700 -0.035 0.000 1.046 73 E HN 0.463 nan 8.360 nan 0.000 0.474 74 Q N -0.040 119.697 119.800 -0.105 0.000 2.124 74 Q HA -0.063 4.277 4.340 -0.001 0.000 0.202 74 Q C -0.099 175.473 176.000 -0.713 0.000 0.977 74 Q CA 1.353 56.855 55.803 -0.502 0.000 0.850 74 Q CB 0.069 28.312 28.738 -0.825 0.000 0.901 74 Q HN 0.072 nan 8.270 nan 0.000 0.429 75 F N 0.536 120.533 119.950 0.078 0.000 2.531 75 F HA 0.428 4.954 4.527 -0.001 0.000 0.333 75 F C -2.206 173.654 175.800 0.100 0.000 1.292 75 F CA -3.096 54.932 58.000 0.047 0.000 1.184 75 F CB 1.006 40.025 39.000 0.032 0.000 1.426 75 F HN -0.124 nan 8.300 nan 0.000 0.559 76 P HA 0.083 nan 4.420 nan 0.000 0.260 76 P C 1.030 178.410 177.300 0.133 0.000 1.172 76 P CA 1.502 64.672 63.100 0.117 0.000 0.760 76 P CB 0.539 32.274 31.700 0.058 0.000 0.773 77 G N 2.628 111.496 108.800 0.113 0.000 2.205 77 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.261 77 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.261 77 G C 0.022 174.995 174.900 0.121 0.000 0.980 77 G CA -0.414 44.736 45.100 0.085 0.000 0.632 77 G HN 0.535 nan 8.290 nan 0.000 0.533 78 F N 3.195 123.140 119.950 -0.009 0.000 2.445 78 F HA 0.526 5.053 4.527 -0.001 0.000 0.359 78 F C 1.663 177.399 175.800 -0.107 0.000 1.101 78 F CA -0.251 57.693 58.000 -0.095 0.000 1.177 78 F CB 1.163 40.093 39.000 -0.117 0.000 1.110 78 F HN 0.226 nan 8.300 nan 0.000 0.522 79 S N 3.402 118.741 115.700 -0.602 0.000 2.382 79 S HA -0.095 4.374 4.470 -0.001 0.000 0.228 79 S C 2.222 176.386 174.600 -0.727 0.000 1.027 79 S CA 0.878 58.745 58.200 -0.554 0.000 0.991 79 S CB -1.217 61.712 63.200 -0.452 0.000 0.823 79 S HN 0.818 nan 8.310 nan 0.000 0.469 80 G N 1.726 109.577 108.800 -1.580 0.000 2.475 80 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.220 80 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.220 80 G C 1.723 176.685 174.900 0.104 0.000 1.125 80 G CA 1.420 45.826 45.100 -1.157 0.000 0.755 80 G HN 0.806 nan 8.290 nan 0.000 0.565 81 S N -0.230 115.566 115.700 0.161 0.000 2.502 81 S HA 0.126 4.595 4.470 -0.001 0.000 0.228 81 S C 1.815 176.685 174.600 0.450 0.000 1.061 81 S CA 0.681 59.341 58.200 0.766 0.000 0.935 81 S CB -0.062 63.737 63.200 0.998 0.000 0.809 81 S HN 0.469 nan 8.310 nan 0.000 0.510 82 E N 2.102 122.406 120.200 0.173 0.000 2.347 82 E HA -0.025 4.325 4.350 -0.001 0.000 0.196 82 E C 1.985 178.540 176.600 -0.075 0.000 1.008 82 E CA 1.076 57.515 56.400 0.066 0.000 0.852 82 E CB -0.462 29.248 29.700 0.016 0.000 0.783 82 E HN 0.822 nan 8.360 nan 0.000 0.505 83 M N -1.676 117.788 119.600 -0.226 0.000 2.549 83 M HA -0.053 4.427 4.480 -0.001 0.000 0.260 83 M C 0.919 176.838 176.300 -0.634 0.000 1.076 83 M CA 1.348 56.355 55.300 -0.487 0.000 1.090 83 M CB -0.307 31.882 32.600 -0.685 0.000 1.418 83 M HN 0.040 nan 8.290 nan 0.000 0.486 84 W N 0.786 122.021 121.300 -0.108 0.000 3.107 84 W HA 0.290 4.950 4.660 -0.001 0.000 0.293 84 W C 0.479 176.921 176.519 -0.129 0.000 1.239 84 W CA -0.865 56.388 57.345 -0.154 0.000 1.653 84 W CB -0.052 29.348 29.460 -0.101 0.000 1.068 84 W HN 0.100 nan 8.180 nan 0.000 0.615 85 N N 1.500 120.250 118.700 0.083 0.000 2.399 85 N HA 0.120 4.860 4.740 -0.001 0.000 0.250 85 N C -2.473 173.006 175.510 -0.052 0.000 1.272 85 N CA -1.319 51.751 53.050 0.034 0.000 0.928 85 N CB -0.282 38.228 38.487 0.038 0.000 1.158 85 N HN -0.350 nan 8.380 nan 0.000 0.463 86 P HA 0.066 nan 4.420 nan 0.000 0.264 86 P C 0.035 177.281 177.300 -0.091 0.000 1.193 86 P CA 0.187 63.233 63.100 -0.091 0.000 0.763 86 P CB 0.086 31.744 31.700 -0.069 0.000 0.810 87 N N 1.931 120.562 118.700 -0.117 0.000 2.203 87 N HA 0.099 4.839 4.740 -0.001 0.000 0.207 87 N C 0.180 175.646 175.510 -0.073 0.000 1.130 87 N CA -0.556 52.434 53.050 -0.098 0.000 0.861 87 N CB 0.432 38.846 38.487 -0.121 0.000 1.005 87 N HN 0.119 nan 8.380 nan 0.000 0.507 88 R N 0.762 121.216 120.500 -0.077 0.000 2.808 88 R HA 0.285 4.625 4.340 -0.001 0.000 0.272 88 R C -0.442 175.823 176.300 -0.058 0.000 0.995 88 R CA -0.689 55.376 56.100 -0.058 0.000 0.917 88 R CB 1.079 31.344 30.300 -0.060 0.000 1.217 88 R HN 0.139 nan 8.270 nan 0.000 0.471 89 E N 1.675 121.844 120.200 -0.051 0.000 2.467 89 E HA -0.010 4.339 4.350 -0.001 0.000 0.264 89 E C 0.065 176.630 176.600 -0.059 0.000 1.020 89 E CA 0.585 56.955 56.400 -0.051 0.000 0.945 89 E CB 0.510 30.181 29.700 -0.048 0.000 0.942 89 E HN 0.300 nan 8.360 nan 0.000 0.449 90 M N 1.134 120.700 119.600 -0.057 0.000 2.367 90 M HA 0.253 4.733 4.480 -0.001 0.000 0.339 90 M C 0.215 176.467 176.300 -0.081 0.000 1.177 90 M CA -0.149 55.109 55.300 -0.070 0.000 1.068 90 M CB 1.570 34.132 32.600 -0.064 0.000 1.602 90 M HN 0.352 nan 8.290 nan 0.000 0.457 91 S N 0.500 116.138 115.700 -0.103 0.000 2.565 91 S HA 0.225 4.695 4.470 -0.001 0.000 0.274 91 S C -0.091 174.418 174.600 -0.152 0.000 1.144 91 S CA -0.674 57.460 58.200 -0.109 0.000 0.849 91 S CB 1.438 64.600 63.200 -0.063 0.000 1.103 91 S HN 0.830 nan 8.310 nan 0.000 0.455 92 E N 0.796 120.886 120.200 -0.183 0.000 2.347 92 E HA -0.045 4.305 4.350 -0.001 0.000 0.196 92 E C -0.352 176.181 176.600 -0.111 0.000 1.008 92 E CA 0.392 56.660 56.400 -0.221 0.000 0.852 92 E CB 0.097 29.657 29.700 -0.234 0.000 0.783 92 E HN 0.501 nan 8.360 nan 0.000 0.505 93 D N 0.574 120.945 120.400 -0.048 0.000 2.483 93 D HA 0.001 4.640 4.640 -0.001 0.000 0.220 93 D C 0.059 176.448 176.300 0.149 0.000 1.173 93 D CA -0.293 53.729 54.000 0.035 0.000 0.964 93 D CB -0.052 40.788 40.800 0.067 0.000 1.046 93 D HN 0.140 nan 8.370 nan 0.000 0.517 94 c N 1.867 120.536 118.600 0.115 0.000 3.772 94 c HA 0.393 4.962 4.570 -0.001 0.000 0.293 94 c C 0.140 174.358 174.090 0.213 0.000 1.659 94 c CA -0.643 55.812 56.329 0.210 0.000 1.810 94 c CB -1.121 41.426 42.510 0.062 0.000 3.059 94 c HN 0.304 nan 8.230 nan 0.000 0.617 95 L N 3.200 124.325 121.223 -0.163 0.000 2.395 95 L HA 0.463 4.803 4.340 -0.001 0.000 0.268 95 L C -0.654 175.577 176.870 -1.066 0.000 1.223 95 L CA 0.496 54.992 54.840 -0.573 0.000 1.093 95 L CB -1.794 39.763 42.059 -0.837 0.000 1.349 95 L HN 0.407 nan 8.230 nan 0.000 0.427 96 Y N 1.785 122.006 120.300 -0.131 0.000 2.609 96 Y HA 0.745 5.295 4.550 -0.001 0.000 0.342 96 Y C -0.085 175.978 175.900 0.272 0.000 1.058 96 Y CA -1.553 56.540 58.100 -0.012 0.000 1.055 96 Y CB 1.666 40.102 38.460 -0.042 0.000 1.292 96 Y HN 0.219 nan 8.280 nan 0.000 0.476 97 L N -0.462 120.935 121.223 0.291 0.000 2.327 97 L HA 0.796 5.136 4.340 -0.001 0.000 0.258 97 L C -1.537 175.386 176.870 0.088 0.000 1.024 97 L CA -1.103 53.837 54.840 0.166 0.000 0.825 97 L CB 2.090 44.148 42.059 -0.001 0.000 1.386 97 L HN 0.580 nan 8.230 nan 0.000 0.417 98 N N 0.809 119.569 118.700 0.100 0.000 2.240 98 N HA 0.838 5.578 4.740 -0.001 0.000 0.302 98 N C -1.431 174.041 175.510 -0.064 0.000 1.106 98 N CA -0.597 52.437 53.050 -0.025 0.000 0.778 98 N CB 2.593 41.065 38.487 -0.026 0.000 1.431 98 N HN 0.589 nan 8.380 nan 0.000 0.479 99 I N 0.308 120.759 120.570 -0.199 0.000 2.533 99 I HA 0.371 4.541 4.170 -0.001 0.000 0.290 99 I C -0.983 175.099 176.117 -0.059 0.000 1.056 99 I CA -0.657 60.615 61.300 -0.046 0.000 1.057 99 I CB 1.901 39.798 38.000 -0.172 0.000 1.240 99 I HN 0.359 nan 8.210 nan 0.000 0.423 100 W N 5.888 127.325 121.300 0.229 0.000 2.361 100 W HA 0.566 5.226 4.660 -0.001 0.000 0.314 100 W C -1.036 175.629 176.519 0.244 0.000 1.041 100 W CA -0.615 56.865 57.345 0.225 0.000 1.241 100 W CB 2.110 31.669 29.460 0.165 0.000 1.279 100 W HN 0.096 nan 8.180 nan 0.000 0.436 101 V N 5.466 125.655 119.914 0.459 0.000 2.448 101 V HA 0.297 4.416 4.120 -0.001 0.000 0.295 101 V C -1.989 174.308 176.094 0.339 0.000 1.025 101 V CA -2.382 60.158 62.300 0.401 0.000 0.859 101 V CB 1.894 34.013 31.823 0.493 0.000 0.988 101 V HN 0.253 nan 8.190 nan 0.000 0.431 102 P HA 0.125 nan 4.420 nan 0.000 0.269 102 P C -0.570 176.862 177.300 0.221 0.000 1.217 102 P CA 0.174 63.418 63.100 0.240 0.000 0.783 102 P CB 0.543 32.351 31.700 0.179 0.000 0.898 103 S N 1.326 117.152 115.700 0.210 0.000 2.561 103 S HA 0.542 5.012 4.470 -0.001 0.000 0.303 103 S C -2.426 172.261 174.600 0.146 0.000 1.110 103 S CA -1.551 56.753 58.200 0.174 0.000 1.034 103 S CB 0.112 63.414 63.200 0.171 0.000 1.010 103 S HN 0.269 nan 8.310 nan 0.000 0.482 104 P HA 0.176 nan 4.420 nan 0.000 0.272 104 P C -0.462 176.912 177.300 0.124 0.000 1.230 104 P CA -0.593 62.572 63.100 0.109 0.000 0.788 104 P CB 0.420 32.169 31.700 0.082 0.000 0.949 105 R N 2.161 122.741 120.500 0.134 0.000 2.537 105 R HA 0.087 4.427 4.340 -0.001 0.000 0.281 105 R C -1.969 174.399 176.300 0.113 0.000 0.988 105 R CA -0.746 55.443 56.100 0.148 0.000 1.077 105 R CB -0.433 29.955 30.300 0.146 0.000 0.932 105 R HN 0.361 nan 8.270 nan 0.000 0.409 106 P HA 0.126 nan 4.420 nan 0.000 0.277 106 P C -0.263 177.078 177.300 0.068 0.000 1.276 106 P CA -0.429 62.723 63.100 0.086 0.000 0.788 106 P CB 0.707 32.462 31.700 0.091 0.000 1.114 107 K N -0.911 119.517 120.400 0.046 0.000 2.329 107 K HA 0.181 4.500 4.320 -0.001 0.000 0.198 107 K C 0.485 177.092 176.600 0.012 0.000 1.085 107 K CA 0.786 57.089 56.287 0.028 0.000 0.961 107 K CB 0.007 32.518 32.500 0.019 0.000 0.971 107 K HN 0.340 nan 8.250 nan 0.000 0.502 108 S N 1.060 116.769 115.700 0.015 0.000 2.787 108 S HA 0.118 4.587 4.470 -0.001 0.000 0.140 108 S C -0.941 173.665 174.600 0.010 0.000 1.240 108 S CA -0.356 57.844 58.200 -0.000 0.000 1.163 108 S CB 0.147 63.336 63.200 -0.018 0.000 1.652 108 S HN 0.113 nan 8.310 nan 0.000 0.443 109 T N 1.644 116.215 114.554 0.028 0.000 2.923 109 T HA 0.570 4.919 4.350 -0.001 0.000 0.281 109 T C 0.235 174.953 174.700 0.030 0.000 0.995 109 T CA 0.029 62.148 62.100 0.031 0.000 0.985 109 T CB 1.129 70.027 68.868 0.050 0.000 1.114 109 T HN 0.447 nan 8.240 nan 0.000 0.548 110 T N 2.183 116.751 114.554 0.024 0.000 2.934 110 T HA 0.324 4.673 4.350 -0.001 0.000 0.306 110 T C -0.307 174.421 174.700 0.047 0.000 1.042 110 T CA -0.207 61.905 62.100 0.020 0.000 1.145 110 T CB 0.244 69.113 68.868 0.001 0.000 0.982 110 T HN 0.392 nan 8.240 nan 0.000 0.544 111 V N 5.042 124.989 119.914 0.054 0.000 2.513 111 V HA 0.530 4.650 4.120 -0.001 0.000 0.299 111 V C -0.030 176.128 176.094 0.106 0.000 1.035 111 V CA -0.771 61.584 62.300 0.091 0.000 0.889 111 V CB 1.739 33.619 31.823 0.095 0.000 0.988 111 V HN 0.835 nan 8.190 nan 0.000 0.440 112 M N 4.345 124.037 119.600 0.154 0.000 2.197 112 M HA 0.549 5.029 4.480 -0.001 0.000 0.301 112 M C -1.369 175.183 176.300 0.421 0.000 0.987 112 M CA -0.607 54.815 55.300 0.203 0.000 0.921 112 M CB 2.259 34.868 32.600 0.016 0.000 1.569 112 M HN 0.362 nan 8.290 nan 0.000 0.431 113 V N 3.015 123.214 119.914 0.475 0.000 2.384 113 V HA 0.360 4.480 4.120 -0.001 0.000 0.287 113 V C -0.786 175.577 176.094 0.448 0.000 1.020 113 V CA -0.629 61.916 62.300 0.408 0.000 0.850 113 V CB 1.534 33.471 31.823 0.189 0.000 0.987 113 V HN 0.867 nan 8.190 nan 0.000 0.436 114 W N 6.880 128.224 121.300 0.074 0.000 2.351 114 W HA 0.640 5.299 4.660 -0.001 0.000 0.311 114 W C -1.330 175.041 176.519 -0.247 0.000 1.168 114 W CA -0.783 56.311 57.345 -0.419 0.000 1.200 114 W CB 1.241 30.502 29.460 -0.332 0.000 1.221 114 W HN 0.448 nan 8.180 nan 0.000 0.519 115 I N 9.130 129.046 120.570 -1.091 0.000 2.382 115 I HA 0.068 4.238 4.170 -0.001 0.000 0.285 115 I C -0.232 175.116 176.117 -1.281 0.000 1.007 115 I CA -1.133 59.630 61.300 -0.895 0.000 1.142 115 I CB 0.639 38.296 38.000 -0.572 0.000 1.289 115 I HN 0.305 nan 8.210 nan 0.000 0.453 116 Y N 4.599 124.416 120.300 -0.805 0.000 2.511 116 Y HA 0.619 5.169 4.550 -0.001 0.000 0.347 116 Y C 0.740 176.457 175.900 -0.306 0.000 1.257 116 Y CA -0.752 56.987 58.100 -0.603 0.000 1.469 116 Y CB -0.092 38.257 38.460 -0.185 0.000 1.353 116 Y HN 0.528 nan 8.280 nan 0.000 0.617 117 G N -0.852 107.964 108.800 0.026 0.000 2.671 117 G HA2 0.508 4.468 3.960 -0.001 0.000 0.275 117 G HA3 0.508 4.468 3.960 -0.001 0.000 0.275 117 G C 0.228 175.074 174.900 -0.090 0.000 1.368 117 G CA -0.965 44.083 45.100 -0.087 0.000 1.044 117 G HN 1.717 nan 8.290 nan 0.000 0.543 118 G N -2.692 105.913 108.800 -0.324 0.000 2.192 118 G HA2 0.402 4.362 3.960 -0.001 0.000 0.152 118 G HA3 0.402 4.362 3.960 -0.001 0.000 0.152 118 G C 1.041 175.412 174.900 -0.882 0.000 1.057 118 G CA 0.691 45.467 45.100 -0.541 0.000 0.748 118 G HN 2.317 nan 8.290 nan 0.000 0.488 119 G N -0.501 107.830 108.800 -0.782 0.000 2.233 119 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.270 119 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.270 119 G C 0.959 175.684 174.900 -0.292 0.000 1.011 119 G CA 0.882 45.432 45.100 -0.917 0.000 0.762 119 G HN 1.773 nan 8.290 nan 0.000 0.511 120 F N -3.550 116.333 119.950 -0.110 0.000 2.825 120 F HA -0.330 4.197 4.527 -0.001 0.000 0.358 120 F C 1.542 177.449 175.800 0.178 0.000 0.639 120 F CA 2.219 60.258 58.000 0.065 0.000 1.153 120 F CB -2.037 36.874 39.000 -0.149 0.000 1.610 120 F HN 0.872 nan 8.300 nan 0.000 0.305 121 Y N -0.852 119.548 120.300 0.167 0.000 2.445 121 Y HA 0.651 5.200 4.550 -0.001 0.000 0.247 121 Y C 0.686 176.712 175.900 0.209 0.000 1.129 121 Y CA 0.234 58.448 58.100 0.189 0.000 1.251 121 Y CB -0.032 38.462 38.460 0.057 0.000 1.176 121 Y HN 0.099 nan 8.280 nan 0.000 0.522 122 S N -0.782 114.732 115.700 -0.311 0.000 2.688 122 S HA 0.895 5.365 4.470 -0.001 0.000 0.275 122 S C -0.285 174.176 174.600 -0.231 0.000 1.175 122 S CA -0.477 57.610 58.200 -0.188 0.000 0.818 122 S CB 1.498 64.558 63.200 -0.234 0.000 1.157 122 S HN 1.259 nan 8.310 nan 0.000 0.482 123 G N -0.304 108.328 108.800 -0.279 0.000 2.379 123 G HA2 0.438 4.398 3.960 -0.001 0.000 0.609 123 G HA3 0.438 4.398 3.960 -0.001 0.000 0.609 123 G C -1.135 173.168 174.900 -0.994 0.000 1.484 123 G CA -0.319 44.433 45.100 -0.581 0.000 0.921 123 G HN 1.280 nan 8.290 nan 0.000 0.658 124 S N -0.844 114.251 115.700 -1.009 0.000 2.536 124 S HA 0.683 5.152 4.470 -0.001 0.000 0.271 124 S C 0.928 175.353 174.600 -0.293 0.000 1.134 124 S CA 0.098 57.900 58.200 -0.663 0.000 0.897 124 S CB 1.806 64.822 63.200 -0.307 0.000 1.094 124 S HN 1.921 nan 8.310 nan 0.000 0.473 125 S N -0.025 115.675 115.700 -0.001 0.000 2.528 125 S HA -0.045 4.424 4.470 -0.001 0.000 0.219 125 S C 1.346 176.027 174.600 0.134 0.000 0.985 125 S CA 0.831 59.231 58.200 0.333 0.000 0.914 125 S CB -0.556 62.882 63.200 0.396 0.000 0.776 125 S HN 0.825 nan 8.310 nan 0.000 0.526 126 T N 0.305 114.744 114.554 -0.192 0.000 3.122 126 T HA 0.407 4.757 4.350 -0.001 0.000 0.250 126 T C 0.494 174.927 174.700 -0.446 0.000 1.067 126 T CA -0.534 61.161 62.100 -0.675 0.000 0.966 126 T CB -0.601 67.736 68.868 -0.885 0.000 1.002 126 T HN 0.313 nan 8.240 nan 0.000 0.542 127 L N 2.009 123.055 121.223 -0.296 0.000 2.483 127 L HA 0.153 4.492 4.340 -0.001 0.000 0.276 127 L C 1.316 177.956 176.870 -0.384 0.000 1.213 127 L CA -0.497 54.082 54.840 -0.435 0.000 0.843 127 L CB 0.373 41.959 42.059 -0.789 0.000 1.107 127 L HN 0.094 nan 8.230 nan 0.000 0.487 128 D N 1.318 121.515 120.400 -0.339 0.000 2.149 128 D HA -0.157 4.482 4.640 -0.001 0.000 0.198 128 D C 1.921 178.030 176.300 -0.319 0.000 0.990 128 D CA 1.032 54.893 54.000 -0.231 0.000 0.839 128 D CB 0.142 40.821 40.800 -0.202 0.000 0.948 128 D HN 0.393 nan 8.370 nan 0.000 0.460 129 V N 0.319 119.900 119.914 -0.555 0.000 3.078 129 V HA -0.197 3.922 4.120 -0.001 0.000 0.265 129 V C 0.679 176.337 176.094 -0.727 0.000 1.122 129 V CA 1.136 63.069 62.300 -0.610 0.000 1.141 129 V CB -0.522 30.820 31.823 -0.802 0.000 0.735 129 V HN 0.142 nan 8.190 nan 0.000 0.498 130 Y N -0.845 119.015 120.300 -0.735 0.000 2.507 130 Y HA 0.403 4.953 4.550 -0.001 0.000 0.254 130 Y C 1.038 176.524 175.900 -0.691 0.000 1.171 130 Y CA -1.427 55.950 58.100 -1.205 0.000 1.238 130 Y CB -0.806 37.262 38.460 -0.653 0.000 1.148 130 Y HN 0.204 nan 8.280 nan 0.000 0.525 131 N N 1.567 120.119 118.700 -0.247 0.000 2.429 131 N HA -0.030 4.710 4.740 -0.001 0.000 0.271 131 N C 1.268 176.488 175.510 -0.483 0.000 1.272 131 N CA 0.671 53.566 53.050 -0.258 0.000 0.921 131 N CB 1.132 39.553 38.487 -0.111 0.000 1.128 131 N HN 0.472 nan 8.380 nan 0.000 0.481 132 G N 3.329 111.332 108.800 -1.329 0.000 2.920 132 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.208 132 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.208 132 G C 1.428 175.732 174.900 -0.992 0.000 1.159 132 G CA 0.199 44.734 45.100 -0.942 0.000 0.784 132 G HN 0.759 nan 8.290 nan 0.000 0.535 133 K N -0.337 119.259 120.400 -1.340 0.000 2.103 133 K HA -0.173 4.146 4.320 -0.001 0.000 0.207 133 K C 1.704 178.089 176.600 -0.358 0.000 1.048 133 K CA 1.183 57.050 56.287 -0.700 0.000 0.930 133 K CB -0.518 31.654 32.500 -0.546 0.000 0.716 133 K HN 0.306 nan 8.250 nan 0.000 0.444 134 Y N 1.176 121.395 120.300 -0.136 0.000 2.163 134 Y HA -0.128 4.422 4.550 -0.001 0.000 0.288 134 Y C 2.366 178.263 175.900 -0.004 0.000 1.136 134 Y CA 0.744 58.825 58.100 -0.031 0.000 1.147 134 Y CB -0.715 37.702 38.460 -0.072 0.000 0.987 134 Y HN 0.041 nan 8.280 nan 0.000 0.509 135 L N 0.280 121.531 121.223 0.046 0.000 2.056 135 L HA -0.043 4.296 4.340 -0.001 0.000 0.207 135 L C 2.352 179.230 176.870 0.014 0.000 1.078 135 L CA 1.904 56.724 54.840 -0.034 0.000 0.749 135 L CB -1.201 40.740 42.059 -0.197 0.000 0.901 135 L HN 0.138 nan 8.230 nan 0.000 0.433 136 A N -1.400 121.441 122.820 0.036 0.000 1.902 136 A HA -0.287 4.033 4.320 -0.001 0.000 0.217 136 A C 2.299 179.975 177.584 0.154 0.000 1.181 136 A CA 1.924 54.035 52.037 0.124 0.000 0.623 136 A CB -1.142 17.991 19.000 0.221 0.000 0.818 136 A HN 0.634 nan 8.150 nan 0.000 0.443 137 Y N 1.182 121.507 120.300 0.042 0.000 2.153 137 Y HA -0.139 4.411 4.550 -0.001 0.000 0.289 137 Y C 2.645 178.572 175.900 0.046 0.000 1.127 137 Y CA 2.300 60.431 58.100 0.053 0.000 1.131 137 Y CB -0.735 37.748 38.460 0.038 0.000 0.995 137 Y HN 0.297 nan 8.280 nan 0.000 0.505 138 T N 0.371 114.895 114.554 -0.051 0.000 2.777 138 T HA -0.120 4.229 4.350 -0.001 0.000 0.266 138 T C 1.331 175.960 174.700 -0.119 0.000 1.040 138 T CA 1.690 63.699 62.100 -0.153 0.000 1.141 138 T CB -0.121 68.745 68.868 -0.004 0.000 0.868 138 T HN 0.311 nan 8.240 nan 0.000 0.444 139 E N 0.421 120.601 120.200 -0.034 0.000 2.474 139 E HA 0.078 4.428 4.350 -0.001 0.000 0.195 139 E C 0.264 176.871 176.600 0.012 0.000 1.039 139 E CA 0.012 56.422 56.400 0.016 0.000 0.881 139 E CB 0.146 29.876 29.700 0.050 0.000 0.970 139 E HN 0.319 nan 8.360 nan 0.000 0.486 140 E N 0.540 120.736 120.200 -0.007 0.000 2.257 140 E HA -0.148 4.202 4.350 -0.001 0.000 0.217 140 E C -0.659 175.974 176.600 0.055 0.000 1.248 140 E CA 0.483 56.896 56.400 0.022 0.000 0.691 140 E CB -1.745 27.958 29.700 0.004 0.000 1.185 140 E HN 0.129 nan 8.360 nan 0.000 0.377 141 V N -2.924 117.037 119.914 0.077 0.000 3.074 141 V HA 0.748 4.867 4.120 -0.001 0.000 0.314 141 V C 0.444 176.621 176.094 0.140 0.000 1.117 141 V CA -1.042 61.310 62.300 0.087 0.000 1.014 141 V CB 2.403 34.261 31.823 0.059 0.000 1.057 141 V HN -0.062 nan 8.190 nan 0.000 0.438 142 V N 3.864 123.867 119.914 0.148 0.000 2.385 142 V HA 0.336 4.456 4.120 -0.001 0.000 0.269 142 V C -0.090 176.136 176.094 0.221 0.000 1.043 142 V CA -0.325 62.093 62.300 0.196 0.000 0.906 142 V CB 1.093 33.015 31.823 0.166 0.000 0.995 142 V HN 0.755 nan 8.190 nan 0.000 0.467 143 L N 7.690 129.100 121.223 0.311 0.000 2.280 143 L HA 0.612 4.951 4.340 -0.001 0.000 0.287 143 L C -0.507 176.656 176.870 0.488 0.000 1.023 143 L CA 0.035 55.103 54.840 0.379 0.000 0.819 143 L CB 1.692 43.961 42.059 0.350 0.000 1.212 143 L HN 0.399 nan 8.230 nan 0.000 0.420 144 V N 3.852 124.019 119.914 0.421 0.000 2.581 144 V HA 0.613 4.732 4.120 -0.001 0.000 0.303 144 V C 0.067 176.431 176.094 0.451 0.000 1.041 144 V CA -0.569 61.954 62.300 0.372 0.000 0.907 144 V CB 2.100 34.059 31.823 0.226 0.000 0.994 144 V HN 0.907 nan 8.190 nan 0.000 0.442 145 S N 4.529 120.493 115.700 0.441 0.000 2.647 145 S HA 0.807 5.277 4.470 -0.001 0.000 0.300 145 S C -0.895 173.881 174.600 0.293 0.000 1.129 145 S CA -0.760 57.714 58.200 0.456 0.000 1.029 145 S CB 1.480 65.062 63.200 0.636 0.000 1.007 145 S HN 0.716 nan 8.310 nan 0.000 0.484 146 L N 1.060 122.389 121.223 0.177 0.000 2.492 146 L HA 1.012 5.352 4.340 -0.001 0.000 0.263 146 L C 0.075 177.066 176.870 0.202 0.000 1.062 146 L CA -0.686 54.215 54.840 0.102 0.000 0.817 146 L CB 0.414 42.413 42.059 -0.101 0.000 1.441 146 L HN 0.876 nan 8.230 nan 0.000 0.493 147 S N -1.507 114.363 115.700 0.282 0.000 2.627 147 S HA 0.891 5.361 4.470 -0.001 0.000 0.283 147 S C -1.267 173.565 174.600 0.388 0.000 1.127 147 S CA -0.544 57.870 58.200 0.356 0.000 0.863 147 S CB 1.509 64.966 63.200 0.428 0.000 1.121 147 S HN 1.181 nan 8.310 nan 0.000 0.479 148 Y N -1.677 118.750 120.300 0.213 0.000 2.592 148 Y HA 0.668 5.218 4.550 -0.001 0.000 0.334 148 Y C -0.741 175.301 175.900 0.237 0.000 1.136 148 Y CA -1.395 56.815 58.100 0.184 0.000 1.042 148 Y CB 0.751 39.263 38.460 0.086 0.000 1.325 148 Y HN 0.763 nan 8.280 nan 0.000 0.457 149 R N 1.926 122.589 120.500 0.272 0.000 2.570 149 R HA 0.492 4.831 4.340 -0.001 0.000 0.277 149 R C -0.121 176.386 176.300 0.344 0.000 1.039 149 R CA -0.002 56.216 56.100 0.197 0.000 1.065 149 R CB 0.812 31.183 30.300 0.117 0.000 0.964 149 R HN 0.701 nan 8.270 nan 0.000 0.428 150 V N -0.198 119.938 119.914 0.371 0.000 3.181 150 V HA 0.898 5.018 4.120 -0.001 0.000 0.314 150 V C 0.671 177.108 176.094 0.572 0.000 1.173 150 V CA -0.137 62.507 62.300 0.572 0.000 1.052 150 V CB 1.149 33.203 31.823 0.384 0.000 1.123 150 V HN 0.978 nan 8.190 nan 0.000 0.454 151 G N 0.143 109.307 108.800 0.605 0.000 2.641 151 G HA2 0.058 4.018 3.960 -0.001 0.000 0.254 151 G HA3 0.058 4.018 3.960 -0.001 0.000 0.254 151 G C 0.980 176.042 174.900 0.270 0.000 1.315 151 G CA 0.892 46.279 45.100 0.478 0.000 0.907 151 G HN 2.243 nan 8.290 nan 0.000 0.572 152 A N -1.336 121.316 122.820 -0.281 0.000 1.940 152 A HA 0.176 4.496 4.320 -0.001 0.000 0.219 152 A C 2.235 179.686 177.584 -0.223 0.000 1.176 152 A CA 2.601 54.153 52.037 -0.808 0.000 0.631 152 A CB -0.533 17.803 19.000 -1.106 0.000 0.814 152 A HN 1.010 nan 8.150 nan 0.000 0.446 153 F N 0.046 120.047 119.950 0.086 0.000 2.154 153 F HA -0.074 4.453 4.527 -0.001 0.000 0.301 153 F C 2.435 178.241 175.800 0.009 0.000 1.087 153 F CA 1.297 59.309 58.000 0.020 0.000 1.274 153 F CB -0.692 38.282 39.000 -0.043 0.000 1.009 153 F HN 0.294 nan 8.300 nan 0.000 0.485 154 G N -2.750 106.136 108.800 0.143 0.000 2.939 154 G HA2 0.100 4.059 3.960 -0.001 0.000 0.216 154 G HA3 0.100 4.059 3.960 -0.001 0.000 0.216 154 G C 0.671 175.084 174.900 -0.811 0.000 1.125 154 G CA 0.062 44.998 45.100 -0.273 0.000 0.766 154 G HN 0.330 nan 8.290 nan 0.000 0.541 155 F N -0.443 119.602 119.950 0.158 0.000 2.880 155 F HA 0.424 4.950 4.527 -0.001 0.000 0.328 155 F C 0.318 176.184 175.800 0.109 0.000 1.146 155 F CA -1.012 57.062 58.000 0.122 0.000 1.135 155 F CB 0.393 39.481 39.000 0.148 0.000 1.151 155 F HN -0.089 nan 8.300 nan 0.000 0.523 156 L N 2.226 123.473 121.223 0.041 0.000 2.540 156 L HA 0.460 4.800 4.340 -0.001 0.000 0.276 156 L C 0.147 177.015 176.870 -0.003 0.000 1.212 156 L CA 0.290 55.060 54.840 -0.116 0.000 0.893 156 L CB 0.428 42.163 42.059 -0.541 0.000 1.138 156 L HN 0.165 nan 8.230 nan 0.000 0.491 157 A N 6.871 129.729 122.820 0.063 0.000 2.375 157 A HA 0.615 4.934 4.320 -0.001 0.000 0.291 157 A C -0.857 176.754 177.584 0.045 0.000 1.160 157 A CA -0.480 51.595 52.037 0.063 0.000 0.747 157 A CB 0.631 19.695 19.000 0.107 0.000 1.170 157 A HN 0.699 nan 8.150 nan 0.000 0.458 158 L N 3.608 124.848 121.223 0.027 0.000 2.581 158 L HA 0.236 4.575 4.340 -0.001 0.000 0.241 158 L C 0.095 177.010 176.870 0.075 0.000 1.265 158 L CA -0.822 54.035 54.840 0.029 0.000 0.954 158 L CB 0.216 42.259 42.059 -0.027 0.000 1.269 158 L HN 0.893 nan 8.230 nan 0.000 0.475 159 H N 1.618 120.695 119.070 0.011 0.000 3.173 159 H HA 0.161 4.716 4.556 -0.001 0.000 0.311 159 H C 1.199 176.536 175.328 0.016 0.000 0.972 159 H CA 1.629 57.690 56.048 0.021 0.000 1.384 159 H CB 0.745 30.524 29.762 0.028 0.000 1.349 159 H HN 0.686 nan 8.280 nan 0.000 0.582 160 G N 2.586 111.119 108.800 -0.445 0.000 2.284 160 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.216 160 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.216 160 G C 0.504 175.320 174.900 -0.141 0.000 1.009 160 G CA 0.284 45.187 45.100 -0.329 0.000 0.625 160 G HN 0.908 nan 8.290 nan 0.000 0.501 161 S N -0.241 115.414 115.700 -0.076 0.000 2.632 161 S HA 0.620 5.089 4.470 -0.001 0.000 0.271 161 S C 1.010 175.603 174.600 -0.010 0.000 1.260 161 S CA 0.224 58.406 58.200 -0.031 0.000 1.010 161 S CB 1.462 64.653 63.200 -0.015 0.000 0.965 161 S HN 0.212 nan 8.310 nan 0.000 0.534 162 Q N 0.850 120.653 119.800 0.005 0.000 2.281 162 Q HA 0.218 4.557 4.340 -0.001 0.000 0.215 162 Q C 0.886 176.910 176.000 0.040 0.000 0.867 162 Q CA 0.187 56.003 55.803 0.021 0.000 0.940 162 Q CB 0.355 29.103 28.738 0.017 0.000 1.111 162 Q HN 0.687 nan 8.270 nan 0.000 0.513 163 E N 0.346 120.572 120.200 0.044 0.000 2.318 163 E HA 0.129 4.479 4.350 -0.001 0.000 0.193 163 E C 0.159 176.819 176.600 0.100 0.000 0.998 163 E CA 0.378 56.822 56.400 0.074 0.000 0.859 163 E CB 0.718 30.463 29.700 0.077 0.000 0.812 163 E HN 0.108 nan 8.360 nan 0.000 0.492 164 A N 1.740 124.593 122.820 0.054 0.000 3.422 164 A HA 0.274 4.594 4.320 -0.001 0.000 0.271 164 A C -2.092 175.507 177.584 0.024 0.000 1.104 164 A CA -0.808 51.249 52.037 0.034 0.000 0.899 164 A CB 0.649 19.583 19.000 -0.111 0.000 1.309 164 A HN -0.128 nan 8.150 nan 0.000 0.580 165 P HA 0.148 nan 4.420 nan 0.000 0.222 165 P C 0.911 178.272 177.300 0.101 0.000 1.153 165 P CA 1.838 64.988 63.100 0.083 0.000 0.798 165 P CB 0.268 32.019 31.700 0.085 0.000 0.796 166 G N 0.366 109.206 108.800 0.067 0.000 2.612 166 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.686 166 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.686 166 G C -0.153 174.766 174.900 0.031 0.000 1.274 166 G CA -0.277 44.865 45.100 0.070 0.000 0.849 166 G HN 0.098 nan 8.290 nan 0.000 0.595 167 N N -2.339 116.379 118.700 0.030 0.000 2.765 167 N HA -0.298 4.442 4.740 -0.001 0.000 0.248 167 N C 2.034 177.422 175.510 -0.203 0.000 1.063 167 N CA 2.585 55.591 53.050 -0.073 0.000 0.862 167 N CB -1.677 36.705 38.487 -0.175 0.000 1.145 167 N HN 1.912 nan 8.380 nan 0.000 0.581 168 V N -2.580 117.210 119.914 -0.207 0.000 2.469 168 V HA -0.075 4.044 4.120 -0.001 0.000 0.251 168 V C 2.365 178.342 176.094 -0.195 0.000 1.064 168 V CA 2.405 64.622 62.300 -0.138 0.000 1.066 168 V CB -1.101 30.681 31.823 -0.068 0.000 0.667 168 V HN 0.286 nan 8.190 nan 0.000 0.461 169 G N 0.157 108.642 108.800 -0.526 0.000 2.432 169 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.219 169 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.219 169 G C 1.571 176.442 174.900 -0.049 0.000 1.135 169 G CA 1.161 46.064 45.100 -0.328 0.000 0.767 169 G HN 0.543 nan 8.290 nan 0.000 0.550 170 L N -0.298 120.866 121.223 -0.099 0.000 2.179 170 L HA 0.146 4.485 4.340 -0.001 0.000 0.208 170 L C 2.753 179.687 176.870 0.107 0.000 1.096 170 L CA 0.260 55.053 54.840 -0.078 0.000 0.779 170 L CB -0.177 41.582 42.059 -0.500 0.000 0.922 170 L HN 0.187 nan 8.230 nan 0.000 0.443 171 L N -0.680 120.596 121.223 0.088 0.000 2.217 171 L HA -0.178 4.162 4.340 -0.001 0.000 0.211 171 L C 2.048 179.011 176.870 0.155 0.000 1.107 171 L CA 0.693 55.637 54.840 0.173 0.000 0.783 171 L CB -0.514 41.624 42.059 0.132 0.000 0.919 171 L HN 0.255 nan 8.230 nan 0.000 0.442 172 D N 0.003 120.491 120.400 0.148 0.000 2.097 172 D HA -0.192 4.448 4.640 -0.001 0.000 0.195 172 D C 2.283 178.679 176.300 0.161 0.000 0.989 172 D CA 1.145 55.296 54.000 0.252 0.000 0.827 172 D CB -0.134 40.844 40.800 0.297 0.000 0.966 172 D HN 0.371 nan 8.370 nan 0.000 0.456 173 Q N 0.180 120.027 119.800 0.078 0.000 2.061 173 Q HA -0.154 4.186 4.340 -0.001 0.000 0.204 173 Q C 2.307 178.222 176.000 -0.141 0.000 0.984 173 Q CA 1.122 56.887 55.803 -0.063 0.000 0.846 173 Q CB -0.109 28.615 28.738 -0.023 0.000 0.902 173 Q HN 0.199 nan 8.270 nan 0.000 0.421 174 R N 0.666 121.158 120.500 -0.013 0.000 2.091 174 R HA -0.165 4.174 4.340 -0.001 0.000 0.238 174 R C 2.233 178.511 176.300 -0.036 0.000 1.136 174 R CA 1.598 57.669 56.100 -0.048 0.000 0.959 174 R CB -0.205 30.164 30.300 0.116 0.000 0.856 174 R HN 0.293 nan 8.270 nan 0.000 0.437 175 M N -0.057 119.557 119.600 0.024 0.000 2.159 175 M HA -0.122 4.358 4.480 -0.001 0.000 0.263 175 M C 2.068 178.339 176.300 -0.048 0.000 1.063 175 M CA 1.968 57.317 55.300 0.081 0.000 1.110 175 M CB -0.031 32.717 32.600 0.248 0.000 1.374 175 M HN 0.319 nan 8.290 nan 0.000 0.411 176 A N 0.301 122.853 122.820 -0.446 0.000 1.930 176 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 176 A C 1.968 179.443 177.584 -0.183 0.000 1.175 176 A CA 1.217 52.828 52.037 -0.710 0.000 0.627 176 A CB -0.875 17.442 19.000 -1.138 0.000 0.815 176 A HN 0.577 nan 8.150 nan 0.000 0.443 177 L N -1.028 120.106 121.223 -0.149 0.000 2.093 177 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 177 L C 2.820 179.725 176.870 0.058 0.000 1.085 177 L CA 1.628 56.441 54.840 -0.045 0.000 0.755 177 L CB -0.433 41.555 42.059 -0.117 0.000 0.904 177 L HN 0.488 nan 8.230 nan 0.000 0.435 178 Q N -0.282 119.550 119.800 0.054 0.000 2.079 178 Q HA -0.254 4.086 4.340 -0.001 0.000 0.200 178 Q C 2.013 178.115 176.000 0.169 0.000 0.974 178 Q CA 1.882 57.739 55.803 0.091 0.000 0.840 178 Q CB -0.473 28.311 28.738 0.077 0.000 0.898 178 Q HN 0.458 nan 8.270 nan 0.000 0.430 179 W N -0.620 120.696 121.300 0.026 0.000 2.358 179 W HA -0.174 4.485 4.660 -0.001 0.000 0.303 179 W C 1.835 178.390 176.519 0.060 0.000 1.208 179 W CA 1.740 59.121 57.345 0.060 0.000 1.274 179 W CB -0.184 29.313 29.460 0.062 0.000 1.138 179 W HN 0.022 nan 8.180 nan 0.000 0.515 180 V N -0.102 120.003 119.914 0.319 0.000 2.343 180 V HA -0.358 3.761 4.120 -0.001 0.000 0.247 180 V C 2.513 178.634 176.094 0.044 0.000 1.051 180 V CA 2.314 64.730 62.300 0.193 0.000 1.036 180 V CB -1.224 30.706 31.823 0.178 0.000 0.654 180 V HN 0.356 nan 8.190 nan 0.000 0.451 181 H N 0.088 119.146 119.070 -0.019 0.000 2.423 181 H HA -0.144 4.412 4.556 -0.001 0.000 0.297 181 H C 1.831 177.085 175.328 -0.124 0.000 1.075 181 H CA 1.860 57.876 56.048 -0.053 0.000 1.342 181 H CB 0.163 29.911 29.762 -0.024 0.000 1.395 181 H HN 0.437 nan 8.280 nan 0.000 0.530 182 D N -0.283 120.056 120.400 -0.101 0.000 2.240 182 D HA -0.052 4.587 4.640 -0.001 0.000 0.206 182 D C 1.176 177.268 176.300 -0.346 0.000 0.963 182 D CA 0.777 54.653 54.000 -0.207 0.000 0.863 182 D CB -0.085 40.632 40.800 -0.139 0.000 0.973 182 D HN 0.489 nan 8.370 nan 0.000 0.501 183 N N -0.369 118.050 118.700 -0.469 0.000 2.227 183 N HA 0.094 4.833 4.740 -0.001 0.000 0.196 183 N C 1.340 176.744 175.510 -0.178 0.000 1.142 183 N CA -0.177 52.633 53.050 -0.400 0.000 0.887 183 N CB 0.655 38.649 38.487 -0.821 0.000 1.022 183 N HN -0.098 nan 8.380 nan 0.000 0.500 184 I N 2.347 122.828 120.570 -0.148 0.000 2.530 184 I HA -0.294 3.876 4.170 -0.001 0.000 0.257 184 I C 2.334 178.457 176.117 0.009 0.000 1.179 184 I CA 1.332 62.656 61.300 0.041 0.000 1.440 184 I CB -0.228 37.778 38.000 0.009 0.000 1.087 184 I HN 0.263 nan 8.210 nan 0.000 0.440 185 Q N -0.740 118.897 119.800 -0.273 0.000 2.124 185 Q HA -0.242 4.097 4.340 -0.001 0.000 0.202 185 Q C 1.984 177.822 176.000 -0.270 0.000 0.977 185 Q CA 1.695 57.294 55.803 -0.341 0.000 0.850 185 Q CB -0.965 27.429 28.738 -0.574 0.000 0.901 185 Q HN 0.407 nan 8.270 nan 0.000 0.429 186 F N 0.072 119.986 119.950 -0.060 0.000 2.408 186 F HA 0.019 4.545 4.527 -0.001 0.000 0.300 186 F C 1.051 176.648 175.800 -0.339 0.000 1.090 186 F CA 0.434 58.307 58.000 -0.212 0.000 1.427 186 F CB -0.240 38.566 39.000 -0.324 0.000 1.070 186 F HN 0.010 nan 8.300 nan 0.000 0.549 187 F N -0.680 119.285 119.950 0.025 0.000 2.664 187 F HA 0.419 4.946 4.527 -0.001 0.000 0.303 187 F C 1.775 177.588 175.800 0.021 0.000 1.092 187 F CA 0.301 58.289 58.000 -0.021 0.000 1.305 187 F CB -0.023 38.931 39.000 -0.077 0.000 1.054 187 F HN 0.026 nan 8.300 nan 0.000 0.565 188 G N 0.212 109.093 108.800 0.135 0.000 2.157 188 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.239 188 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.239 188 G C 0.582 175.531 174.900 0.082 0.000 0.982 188 G CA -0.256 44.901 45.100 0.095 0.000 0.650 188 G HN 0.720 nan 8.290 nan 0.000 0.527 189 G N -0.446 108.406 108.800 0.087 0.000 2.425 189 G HA2 0.499 4.459 3.960 -0.001 0.000 0.302 189 G HA3 0.499 4.459 3.960 -0.001 0.000 0.302 189 G C -0.743 174.152 174.900 -0.008 0.000 1.159 189 G CA 0.260 45.394 45.100 0.056 0.000 0.865 189 G HN 0.265 nan 8.290 nan 0.000 0.515 190 D N 1.724 122.118 120.400 -0.009 0.000 2.428 190 D HA 0.252 4.892 4.640 -0.001 0.000 0.221 190 D C -0.938 175.333 176.300 -0.048 0.000 1.123 190 D CA -2.422 51.553 54.000 -0.041 0.000 0.869 190 D CB 1.688 42.471 40.800 -0.027 0.000 1.032 190 D HN 0.087 nan 8.370 nan 0.000 0.506 191 P HA -0.137 nan 4.420 nan 0.000 0.229 191 P C 0.610 177.877 177.300 -0.054 0.000 1.150 191 P CA 0.579 63.611 63.100 -0.113 0.000 0.765 191 P CB 0.423 31.949 31.700 -0.290 0.000 0.783 192 K N -0.683 119.686 120.400 -0.051 0.000 2.393 192 K HA 0.135 4.455 4.320 -0.001 0.000 0.193 192 K C 0.548 177.142 176.600 -0.009 0.000 1.026 192 K CA 0.553 56.826 56.287 -0.023 0.000 1.064 192 K CB -0.008 32.468 32.500 -0.040 0.000 0.833 192 K HN 0.091 nan 8.250 nan 0.000 0.521 193 T N 1.179 115.731 114.554 -0.004 0.000 3.532 193 T HA 0.248 4.597 4.350 -0.001 0.000 0.241 193 T C -0.390 174.327 174.700 0.028 0.000 1.238 193 T CA -0.302 61.796 62.100 -0.004 0.000 1.405 193 T CB 0.665 69.518 68.868 -0.024 0.000 0.971 193 T HN -0.307 nan 8.240 nan 0.000 0.640 194 V N 1.966 121.923 119.914 0.073 0.000 2.439 194 V HA 0.501 4.621 4.120 -0.001 0.000 0.282 194 V C 0.409 176.603 176.094 0.168 0.000 1.039 194 V CA -0.339 62.035 62.300 0.122 0.000 0.913 194 V CB 1.656 33.575 31.823 0.161 0.000 0.983 194 V HN 0.494 nan 8.190 nan 0.000 0.460 195 T N 6.206 120.852 114.554 0.153 0.000 2.792 195 T HA 0.598 4.947 4.350 -0.001 0.000 0.280 195 T C -0.249 174.582 174.700 0.219 0.000 0.990 195 T CA -0.207 61.999 62.100 0.178 0.000 0.960 195 T CB 0.935 69.862 68.868 0.098 0.000 0.939 195 T HN 0.606 nan 8.240 nan 0.000 0.439 196 I N 1.650 122.322 120.570 0.170 0.000 2.437 196 I HA 0.895 5.064 4.170 -0.001 0.000 0.298 196 I C -0.896 175.400 176.117 0.299 0.000 0.984 196 I CA -0.996 60.387 61.300 0.140 0.000 1.214 196 I CB 1.039 38.900 38.000 -0.231 0.000 1.365 196 I HN 0.517 nan 8.210 nan 0.000 0.469 197 F N 2.841 122.816 119.950 0.042 0.000 2.619 197 F HA 0.996 5.523 4.527 -0.001 0.000 0.308 197 F C -0.477 175.292 175.800 -0.052 0.000 1.097 197 F CA -1.170 56.888 58.000 0.097 0.000 0.953 197 F CB 1.292 40.467 39.000 0.291 0.000 1.287 197 F HN 0.849 nan 8.300 nan 0.000 0.446 198 G N 0.953 109.603 108.800 -0.250 0.000 2.623 198 G HA2 0.502 4.461 3.960 -0.001 0.000 0.290 198 G HA3 0.502 4.461 3.960 -0.001 0.000 0.290 198 G C -2.405 172.282 174.900 -0.354 0.000 1.437 198 G CA -0.735 43.831 45.100 -0.891 0.000 0.798 198 G HN 0.888 nan 8.290 nan 0.000 0.488 202 G N 0.270 108.879 108.800 -0.318 0.000 2.421 202 G HA2 0.235 4.195 3.960 -0.001 0.000 0.217 202 G HA3 0.235 4.195 3.960 -0.001 0.000 0.217 202 G C 1.423 176.147 174.900 -0.293 0.000 1.143 202 G CA 1.615 46.489 45.100 -0.378 0.000 0.784 202 G HN 1.051 nan 8.290 nan 0.000 0.541 203 G N 0.968 109.653 108.800 -0.191 0.000 2.403 203 G HA2 0.132 4.091 3.960 -0.001 0.000 0.216 203 G HA3 0.132 4.091 3.960 -0.001 0.000 0.216 203 G C 1.988 176.795 174.900 -0.156 0.000 1.154 203 G CA 1.335 46.358 45.100 -0.130 0.000 0.784 203 G HN 0.561 nan 8.290 nan 0.000 0.538 204 A N 0.778 123.527 122.820 -0.117 0.000 1.930 204 A HA 0.061 4.380 4.320 -0.001 0.000 0.217 204 A C 2.675 180.191 177.584 -0.113 0.000 1.175 204 A CA 2.118 54.063 52.037 -0.153 0.000 0.627 204 A CB -0.532 18.406 19.000 -0.103 0.000 0.815 204 A HN 0.287 nan 8.150 nan 0.000 0.443 205 S N -0.383 115.268 115.700 -0.082 0.000 2.356 205 S HA -0.145 4.324 4.470 -0.001 0.000 0.223 205 S C 1.938 176.448 174.600 -0.149 0.000 1.032 205 S CA 1.445 59.575 58.200 -0.118 0.000 1.005 205 S CB -0.528 62.566 63.200 -0.176 0.000 0.867 205 S HN 0.349 nan 8.310 nan 0.000 0.449 206 V N 1.677 121.516 119.914 -0.125 0.000 2.282 206 V HA -0.233 3.886 4.120 -0.001 0.000 0.249 206 V C 2.618 178.658 176.094 -0.091 0.000 1.057 206 V CA 2.116 64.353 62.300 -0.104 0.000 1.032 206 V CB -1.523 30.223 31.823 -0.129 0.000 0.645 206 V HN 0.611 nan 8.190 nan 0.000 0.447 207 G N -1.102 107.594 108.800 -0.173 0.000 2.450 207 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.220 207 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.220 207 G C 1.590 176.479 174.900 -0.019 0.000 1.130 207 G CA 1.102 46.076 45.100 -0.211 0.000 0.760 207 G HN 0.471 nan 8.290 nan 0.000 0.557 208 M N -0.238 119.357 119.600 -0.008 0.000 2.229 208 M HA 0.020 4.500 4.480 -0.001 0.000 0.264 208 M C 2.220 178.626 176.300 0.177 0.000 1.063 208 M CA 0.831 56.249 55.300 0.196 0.000 1.114 208 M CB -0.199 32.517 32.600 0.194 0.000 1.387 208 M HN 0.183 nan 8.290 nan 0.000 0.420 209 H N -0.236 118.951 119.070 0.195 0.000 2.470 209 H HA 0.085 4.641 4.556 -0.001 0.000 0.289 209 H C 2.094 177.607 175.328 0.308 0.000 1.033 209 H CA 1.142 57.293 56.048 0.171 0.000 1.331 209 H CB -0.091 29.658 29.762 -0.022 0.000 1.414 209 H HN 0.405 nan 8.280 nan 0.000 0.545 210 I N 0.379 121.203 120.570 0.424 0.000 2.315 210 I HA -0.227 3.943 4.170 -0.001 0.000 0.248 210 I C 2.155 178.514 176.117 0.404 0.000 1.117 210 I CA 0.838 62.445 61.300 0.512 0.000 1.404 210 I CB -0.025 38.223 38.000 0.414 0.000 1.071 210 I HN 0.121 nan 8.210 nan 0.000 0.419 211 L N -0.557 120.868 121.223 0.338 0.000 2.068 211 L HA -0.042 4.297 4.340 -0.001 0.000 0.204 211 L C 1.544 178.528 176.870 0.190 0.000 1.076 211 L CA 0.336 55.373 54.840 0.329 0.000 0.753 211 L CB -0.280 42.005 42.059 0.376 0.000 0.910 211 L HN 0.056 nan 8.230 nan 0.000 0.439 212 S N 0.182 115.909 115.700 0.045 0.000 2.509 212 S HA 0.064 4.533 4.470 -0.001 0.000 0.287 212 S C -1.485 173.000 174.600 -0.192 0.000 1.248 212 S CA -1.277 56.753 58.200 -0.284 0.000 1.089 212 S CB 0.789 63.375 63.200 -1.023 0.000 0.900 212 S HN -0.068 nan 8.310 nan 0.000 0.496 213 P HA -0.077 nan 4.420 nan 0.000 0.216 213 P C 1.403 178.622 177.300 -0.135 0.000 1.150 213 P CA 1.187 64.221 63.100 -0.109 0.000 0.843 213 P CB -0.100 31.541 31.700 -0.097 0.000 0.787 214 G N -1.673 106.997 108.800 -0.217 0.000 2.708 214 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.210 214 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.210 214 G C 1.282 176.105 174.900 -0.129 0.000 1.141 214 G CA 0.590 45.580 45.100 -0.183 0.000 0.788 214 G HN 0.241 nan 8.290 nan 0.000 0.531 215 S N -0.723 114.926 115.700 -0.086 0.000 2.575 215 S HA 0.121 4.590 4.470 -0.001 0.000 0.230 215 S C 2.143 176.844 174.600 0.167 0.000 1.062 215 S CA -0.470 57.774 58.200 0.074 0.000 0.913 215 S CB 0.254 63.606 63.200 0.254 0.000 0.837 215 S HN 0.343 nan 8.310 nan 0.000 0.487 216 R N 1.996 122.544 120.500 0.080 0.000 2.119 216 R HA -0.144 4.195 4.340 -0.001 0.000 0.246 216 R C 0.781 176.919 176.300 -0.270 0.000 1.146 216 R CA 1.779 57.832 56.100 -0.077 0.000 0.962 216 R CB -0.505 29.755 30.300 -0.067 0.000 0.863 216 R HN 0.299 nan 8.270 nan 0.000 0.442 217 D N 0.331 120.634 120.400 -0.163 0.000 2.363 217 D HA -0.027 4.612 4.640 -0.001 0.000 0.220 217 D C 1.349 177.540 176.300 -0.182 0.000 0.994 217 D CA 0.727 54.617 54.000 -0.183 0.000 0.890 217 D CB 0.085 40.790 40.800 -0.158 0.000 0.906 217 D HN 0.259 nan 8.370 nan 0.000 0.530 218 L N -0.230 120.938 121.223 -0.091 0.000 2.592 218 L HA 0.179 4.518 4.340 -0.001 0.000 0.227 218 L C -0.097 176.912 176.870 0.232 0.000 1.127 218 L CA -0.115 54.733 54.840 0.014 0.000 0.884 218 L CB -0.338 41.742 42.059 0.035 0.000 1.065 218 L HN -0.062 nan 8.230 nan 0.000 0.457 219 F N -4.214 115.742 119.950 0.010 0.000 2.713 219 F HA 0.574 5.101 4.527 -0.001 0.000 0.311 219 F C 0.370 176.195 175.800 0.041 0.000 1.141 219 F CA -1.359 56.663 58.000 0.037 0.000 0.939 219 F CB 1.154 40.175 39.000 0.035 0.000 1.325 219 F HN -0.400 nan 8.300 nan 0.000 0.453 220 R N 0.858 121.422 120.500 0.107 0.000 2.074 220 R HA 0.432 4.771 4.340 -0.001 0.000 0.218 220 R C 0.042 176.375 176.300 0.056 0.000 1.137 220 R CA 1.425 57.522 56.100 -0.004 0.000 0.998 220 R CB 0.178 30.484 30.300 0.010 0.000 0.895 220 R HN 0.857 nan 8.270 nan 0.000 0.442 221 R N -1.603 119.037 120.500 0.233 0.000 2.846 221 R HA 0.817 5.157 4.340 -0.001 0.000 0.263 221 R C -1.515 175.043 176.300 0.431 0.000 1.080 221 R CA -0.800 55.463 56.100 0.273 0.000 0.961 221 R CB 1.252 31.559 30.300 0.011 0.000 1.231 221 R HN 0.069 nan 8.270 nan 0.000 0.465 222 A N 0.652 123.717 122.820 0.407 0.000 2.572 222 A HA 0.732 5.052 4.320 -0.001 0.000 0.295 222 A C -1.236 176.460 177.584 0.186 0.000 1.072 222 A CA -0.921 51.282 52.037 0.277 0.000 0.691 222 A CB 1.636 20.748 19.000 0.187 0.000 1.291 222 A HN 0.606 nan 8.150 nan 0.000 0.404 223 I N 1.229 121.858 120.570 0.100 0.000 2.466 223 I HA 0.405 4.574 4.170 -0.001 0.000 0.289 223 I C -1.541 174.609 176.117 0.055 0.000 1.026 223 I CA -0.592 60.686 61.300 -0.037 0.000 1.078 223 I CB 1.914 39.844 38.000 -0.115 0.000 1.249 223 I HN 0.418 nan 8.210 nan 0.000 0.429 224 L N 6.513 127.738 121.223 0.003 0.000 2.349 224 L HA 0.459 4.798 4.340 -0.001 0.000 0.278 224 L C -0.532 176.403 176.870 0.108 0.000 0.996 224 L CA -0.284 54.565 54.840 0.014 0.000 0.825 224 L CB 1.659 43.658 42.059 -0.101 0.000 1.243 224 L HN 0.490 nan 8.230 nan 0.000 0.412 225 Q N 1.783 121.696 119.800 0.188 0.000 2.333 225 Q HA 0.489 4.829 4.340 -0.001 0.000 0.265 225 Q C -0.011 176.095 176.000 0.178 0.000 0.989 225 Q CA -0.650 55.331 55.803 0.296 0.000 0.842 225 Q CB 1.620 30.635 28.738 0.462 0.000 1.262 225 Q HN 0.630 nan 8.270 nan 0.000 0.451 226 S N 0.978 116.774 115.700 0.160 0.000 3.549 226 S HA -0.170 4.300 4.470 -0.001 0.000 0.366 226 S C 0.023 174.756 174.600 0.222 0.000 1.012 226 S CA 0.629 58.938 58.200 0.182 0.000 1.141 226 S CB -1.129 62.184 63.200 0.188 0.000 0.910 226 S HN 0.969 nan 8.310 nan 0.000 0.471 227 G N -0.272 108.602 108.800 0.123 0.000 2.691 227 G HA2 0.608 4.567 3.960 -0.001 0.000 0.298 227 G HA3 0.608 4.567 3.960 -0.001 0.000 0.298 227 G C -0.963 173.877 174.900 -0.100 0.000 1.471 227 G CA 0.110 45.280 45.100 0.117 0.000 0.912 227 G HN 1.038 nan 8.290 nan 0.000 0.553 228 S N 1.303 116.871 115.700 -0.220 0.000 2.588 228 S HA 0.793 5.263 4.470 -0.001 0.000 0.275 228 S C -2.087 172.225 174.600 -0.479 0.000 1.130 228 S CA -1.202 56.729 58.200 -0.449 0.000 0.855 228 S CB 3.104 66.066 63.200 -0.396 0.000 1.116 228 S HN 0.396 nan 8.310 nan 0.000 0.472 229 P HA -0.127 nan 4.420 nan 0.000 0.218 229 P C 0.611 177.682 177.300 -0.381 0.000 1.149 229 P CA 1.499 64.362 63.100 -0.395 0.000 0.817 229 P CB -0.569 30.945 31.700 -0.309 0.000 0.785 230 N N -1.390 117.120 118.700 -0.316 0.000 2.383 230 N HA 0.028 4.768 4.740 -0.001 0.000 0.192 230 N C 0.147 175.433 175.510 -0.374 0.000 1.141 230 N CA -0.361 52.534 53.050 -0.258 0.000 0.851 230 N CB -0.696 37.759 38.487 -0.053 0.000 0.976 230 N HN -0.066 nan 8.380 nan 0.000 0.465 231 C N 2.501 121.466 119.300 -0.559 0.000 2.634 231 C HA 0.050 4.509 4.460 -0.001 0.000 0.417 231 C C -0.146 174.367 174.990 -0.795 0.000 1.334 231 C CA -1.074 57.472 59.018 -0.787 0.000 1.829 231 C CB 0.873 27.812 27.740 -1.334 0.000 2.665 231 C HN 0.446 nan 8.230 nan 0.000 0.614 232 P HA -0.106 nan 4.420 nan 0.000 0.225 232 P C 1.097 178.204 177.300 -0.322 0.000 1.148 232 P CA 1.774 64.606 63.100 -0.447 0.000 0.779 232 P CB -0.050 31.392 31.700 -0.429 0.000 0.780 233 W N -1.681 119.480 121.300 -0.232 0.000 3.058 233 W HA 0.558 5.218 4.660 -0.000 0.000 0.306 233 W C 1.223 177.765 176.519 0.039 0.000 1.188 233 W CA 0.344 57.617 57.345 -0.121 0.000 1.651 233 W CB -0.987 28.397 29.460 -0.127 0.000 1.051 233 W HN -0.136 nan 8.180 nan 0.000 0.592 234 A N 1.581 124.067 122.820 -0.556 0.000 2.167 234 A HA 0.149 4.469 4.320 -0.001 0.000 0.214 234 A C 1.019 178.419 177.584 -0.307 0.000 1.151 234 A CA 1.291 53.115 52.037 -0.356 0.000 0.735 234 A CB -0.600 17.960 19.000 -0.733 0.000 0.802 234 A HN 0.250 nan 8.150 nan 0.000 0.467 235 S N -2.004 113.520 115.700 -0.293 0.000 2.588 235 S HA 0.623 5.093 4.470 -0.001 0.000 0.269 235 S C -0.809 173.668 174.600 -0.205 0.000 1.157 235 S CA -0.101 57.923 58.200 -0.294 0.000 0.824 235 S CB 1.254 64.221 63.200 -0.389 0.000 1.126 235 S HN 1.349 nan 8.310 nan 0.000 0.464 236 V N -0.956 118.857 119.914 -0.168 0.000 3.160 236 V HA 0.952 5.072 4.120 -0.001 0.000 0.310 236 V C 0.171 176.202 176.094 -0.104 0.000 1.181 236 V CA -0.430 61.802 62.300 -0.114 0.000 1.047 236 V CB 1.142 32.917 31.823 -0.080 0.000 1.068 236 V HN 1.538 nan 8.190 nan 0.000 0.441 237 S N 0.585 116.240 115.700 -0.075 0.000 2.624 237 S HA 0.376 4.846 4.470 -0.001 0.000 0.263 237 S C 1.298 175.865 174.600 -0.056 0.000 1.287 237 S CA 0.016 58.176 58.200 -0.068 0.000 0.990 237 S CB 1.236 64.409 63.200 -0.044 0.000 0.950 237 S HN 2.081 nan 8.310 nan 0.000 0.561 238 V N -1.210 118.661 119.914 -0.071 0.000 2.407 238 V HA -0.006 4.113 4.120 -0.001 0.000 0.248 238 V C 2.596 178.692 176.094 0.002 0.000 1.055 238 V CA 1.686 63.952 62.300 -0.057 0.000 1.049 238 V CB -2.068 29.669 31.823 -0.143 0.000 0.662 238 V HN 0.998 nan 8.190 nan 0.000 0.455 239 A N 0.641 123.460 122.820 -0.001 0.000 1.898 239 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 239 A C 2.217 179.799 177.584 -0.004 0.000 1.181 239 A CA 1.975 54.017 52.037 0.008 0.000 0.620 239 A CB -0.627 18.377 19.000 0.007 0.000 0.819 239 A HN 0.636 nan 8.150 nan 0.000 0.442 240 E N 0.115 120.305 120.200 -0.015 0.000 2.106 240 E HA -0.017 4.332 4.350 -0.001 0.000 0.192 240 E C 1.954 178.534 176.600 -0.033 0.000 0.984 240 E CA 1.481 57.862 56.400 -0.031 0.000 0.806 240 E CB -0.789 28.892 29.700 -0.031 0.000 0.750 240 E HN 0.382 nan 8.360 nan 0.000 0.458 241 G N 0.640 109.431 108.800 -0.014 0.000 2.418 241 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.217 241 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.217 241 G C 1.763 176.685 174.900 0.036 0.000 1.158 241 G CA 0.840 45.950 45.100 0.017 0.000 0.771 241 G HN 0.313 nan 8.290 nan 0.000 0.545 242 R N 0.272 120.788 120.500 0.027 0.000 2.075 242 R HA 0.016 4.356 4.340 -0.001 0.000 0.232 242 R C 2.563 178.868 176.300 0.009 0.000 1.126 242 R CA 1.333 57.448 56.100 0.025 0.000 0.963 242 R CB -0.350 29.968 30.300 0.031 0.000 0.858 242 R HN 0.319 nan 8.270 nan 0.000 0.435 243 R N 0.460 120.955 120.500 -0.008 0.000 2.083 243 R HA -0.144 4.196 4.340 -0.001 0.000 0.237 243 R C 2.190 178.474 176.300 -0.027 0.000 1.137 243 R CA 1.888 57.973 56.100 -0.025 0.000 0.951 243 R CB -0.094 30.178 30.300 -0.047 0.000 0.851 243 R HN 0.268 nan 8.270 nan 0.000 0.434 244 R N -0.323 120.157 120.500 -0.034 0.000 2.115 244 R HA -0.037 4.303 4.340 -0.001 0.000 0.230 244 R C 2.313 178.668 176.300 0.093 0.000 1.111 244 R CA 1.119 57.196 56.100 -0.039 0.000 0.976 244 R CB -0.236 29.959 30.300 -0.174 0.000 0.870 244 R HN 0.254 nan 8.270 nan 0.000 0.445 245 A N 0.829 123.719 122.820 0.116 0.000 1.873 245 A HA -0.095 4.225 4.320 -0.001 0.000 0.215 245 A C 2.352 179.945 177.584 0.014 0.000 1.186 245 A CA 1.243 53.332 52.037 0.085 0.000 0.616 245 A CB -0.495 18.506 19.000 0.001 0.000 0.823 245 A HN 0.092 nan 8.150 nan 0.000 0.442 246 V N 0.109 120.025 119.914 0.004 0.000 2.295 246 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 246 V C 2.587 178.682 176.094 0.001 0.000 1.049 246 V CA 2.398 64.694 62.300 -0.007 0.000 1.024 246 V CB -0.754 31.065 31.823 -0.008 0.000 0.648 246 V HN 0.693 nan 8.190 nan 0.000 0.447 247 E N 0.193 120.396 120.200 0.004 0.000 2.204 247 E HA -0.213 4.136 4.350 -0.001 0.000 0.195 247 E C 1.862 178.477 176.600 0.025 0.000 0.990 247 E CA 1.051 57.453 56.400 0.003 0.000 0.821 247 E CB -0.351 29.339 29.700 -0.018 0.000 0.750 247 E HN 0.472 nan 8.360 nan 0.000 0.477 248 L N -0.531 120.725 121.223 0.055 0.000 2.056 248 L HA 0.103 4.443 4.340 -0.001 0.000 0.207 248 L C 2.147 179.031 176.870 0.023 0.000 1.078 248 L CA 2.223 57.107 54.840 0.073 0.000 0.749 248 L CB -0.947 41.186 42.059 0.124 0.000 0.901 248 L HN 0.209 nan 8.230 nan 0.000 0.433 249 G N -0.856 107.944 108.800 0.000 0.000 2.422 249 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.218 249 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.218 249 G C 1.800 176.703 174.900 0.005 0.000 1.146 249 G CA 0.723 45.818 45.100 -0.008 0.000 0.769 249 G HN 0.407 nan 8.290 nan 0.000 0.547 250 R N 0.419 120.923 120.500 0.008 0.000 2.127 250 R HA -0.039 4.300 4.340 -0.001 0.000 0.238 250 R C 2.172 178.482 176.300 0.017 0.000 1.134 250 R CA 1.309 57.416 56.100 0.010 0.000 0.975 250 R CB -0.314 29.989 30.300 0.006 0.000 0.865 250 R HN 0.306 nan 8.270 nan 0.000 0.447 251 N N 0.232 118.945 118.700 0.023 0.000 2.396 251 N HA -0.095 4.645 4.740 -0.001 0.000 0.180 251 N C 0.825 176.354 175.510 0.032 0.000 1.028 251 N CA 0.825 53.894 53.050 0.032 0.000 0.893 251 N CB 0.186 38.699 38.487 0.044 0.000 0.967 251 N HN 0.281 nan 8.380 nan 0.000 0.440 252 L N 0.683 121.922 121.223 0.026 0.000 2.872 252 L HA 0.191 4.531 4.340 -0.001 0.000 0.245 252 L C -0.570 176.312 176.870 0.021 0.000 1.211 252 L CA -0.157 54.698 54.840 0.025 0.000 1.013 252 L CB -0.356 41.715 42.059 0.021 0.000 1.326 252 L HN 0.029 nan 8.230 nan 0.000 0.525 253 N N -0.901 117.810 118.700 0.020 0.000 2.688 253 N HA -0.187 4.553 4.740 -0.001 0.000 0.258 253 N C -0.343 175.177 175.510 0.018 0.000 1.016 253 N CA 0.295 53.356 53.050 0.018 0.000 0.747 253 N CB -1.490 37.009 38.487 0.020 0.000 0.895 253 N HN 0.273 nan 8.380 nan 0.000 0.543 254 c N 0.486 119.094 118.600 0.015 0.000 2.335 254 c HA 0.392 4.961 4.570 -0.001 0.000 0.363 254 c C 1.025 175.127 174.090 0.019 0.000 1.198 254 c CA -1.063 55.275 56.329 0.016 0.000 2.279 254 c CB 1.152 43.666 42.510 0.008 0.000 2.334 254 c HN 0.551 nan 8.230 nan 0.000 0.559 255 N N 1.582 120.299 118.700 0.028 0.000 2.442 255 N HA 0.182 4.921 4.740 -0.001 0.000 0.265 255 N C -0.274 175.249 175.510 0.021 0.000 1.138 255 N CA 0.152 53.219 53.050 0.028 0.000 0.956 255 N CB 0.502 39.013 38.487 0.041 0.000 1.067 255 N HN 0.623 nan 8.380 nan 0.000 0.474 256 L N 3.068 124.300 121.223 0.014 0.000 2.872 256 L HA 0.231 4.571 4.340 -0.001 0.000 0.245 256 L C 1.222 178.096 176.870 0.007 0.000 1.211 256 L CA -0.315 54.530 54.840 0.008 0.000 1.013 256 L CB -0.128 41.934 42.059 0.004 0.000 1.326 256 L HN 0.431 nan 8.230 nan 0.000 0.525 257 N N 0.586 119.292 118.700 0.010 0.000 2.396 257 N HA -0.043 4.696 4.740 -0.001 0.000 0.180 257 N C 0.604 176.117 175.510 0.006 0.000 1.028 257 N CA 0.700 53.755 53.050 0.008 0.000 0.893 257 N CB 0.354 38.847 38.487 0.009 0.000 0.967 257 N HN 0.468 nan 8.380 nan 0.000 0.440 258 S N -1.521 114.184 115.700 0.007 0.000 2.567 258 S HA 0.300 4.770 4.470 -0.001 0.000 0.270 258 S C -0.161 174.442 174.600 0.004 0.000 1.152 258 S CA -0.860 57.342 58.200 0.004 0.000 0.835 258 S CB 1.657 64.860 63.200 0.004 0.000 1.115 258 S HN -0.265 nan 8.310 nan 0.000 0.459 259 D N 1.243 121.642 120.400 -0.002 0.000 2.123 259 D HA -0.077 4.562 4.640 -0.001 0.000 0.196 259 D C 1.559 177.863 176.300 0.006 0.000 0.992 259 D CA 1.984 55.980 54.000 -0.007 0.000 0.833 259 D CB -0.266 40.527 40.800 -0.012 0.000 0.954 259 D HN 0.708 nan 8.370 nan 0.000 0.455 260 E N 0.940 121.149 120.200 0.015 0.000 2.049 260 E HA -0.186 4.164 4.350 -0.001 0.000 0.198 260 E C 2.046 178.684 176.600 0.062 0.000 1.007 260 E CA 1.155 57.574 56.400 0.031 0.000 0.809 260 E CB -0.301 29.407 29.700 0.014 0.000 0.749 260 E HN 0.464 nan 8.360 nan 0.000 0.450 261 E N -0.191 120.040 120.200 0.051 0.000 2.106 261 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 261 E C 1.980 178.633 176.600 0.088 0.000 0.984 261 E CA 0.546 56.995 56.400 0.082 0.000 0.806 261 E CB -0.084 29.646 29.700 0.050 0.000 0.750 261 E HN 0.094 nan 8.360 nan 0.000 0.458 262 L N 1.173 122.420 121.223 0.040 0.000 2.005 262 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 262 L C 2.032 178.903 176.870 0.001 0.000 1.072 262 L CA 1.580 56.425 54.840 0.007 0.000 0.744 262 L CB -0.329 41.715 42.059 -0.025 0.000 0.895 262 L HN 0.091 nan 8.230 nan 0.000 0.433 263 I N -0.782 119.791 120.570 0.005 0.000 2.208 263 I HA -0.342 3.827 4.170 -0.001 0.000 0.245 263 I C 2.565 178.751 176.117 0.115 0.000 1.097 263 I CA 1.632 62.944 61.300 0.020 0.000 1.363 263 I CB -0.597 37.425 38.000 0.037 0.000 1.051 263 I HN 0.485 nan 8.210 nan 0.000 0.413 264 H N 0.335 119.434 119.070 0.048 0.000 2.353 264 H HA -0.232 4.324 4.556 -0.001 0.000 0.300 264 H C 2.389 177.754 175.328 0.062 0.000 1.090 264 H CA 2.135 58.218 56.048 0.058 0.000 1.327 264 H CB -0.410 29.375 29.762 0.037 0.000 1.383 264 H HN 0.447 nan 8.280 nan 0.000 0.508 265 c N -0.003 118.547 118.600 -0.082 0.000 2.432 265 c HA -0.073 4.496 4.570 -0.001 0.000 0.277 265 c C 2.785 176.833 174.090 -0.071 0.000 1.249 265 c CA 1.034 57.294 56.329 -0.115 0.000 1.725 265 c CB -1.439 41.066 42.510 -0.008 0.000 2.028 265 c HN 0.673 nan 8.230 nan 0.000 0.477 266 L N 0.275 121.501 121.223 0.004 0.000 2.131 266 L HA -0.116 4.223 4.340 -0.001 0.000 0.210 266 L C 2.951 179.915 176.870 0.157 0.000 1.092 266 L CA 1.566 56.457 54.840 0.085 0.000 0.759 266 L CB -0.695 41.407 42.059 0.072 0.000 0.903 266 L HN 0.350 nan 8.230 nan 0.000 0.435 267 R N -0.288 120.293 120.500 0.134 0.000 2.189 267 R HA -0.087 4.253 4.340 -0.001 0.000 0.218 267 R C 1.739 178.021 176.300 -0.031 0.000 1.074 267 R CA 0.619 56.757 56.100 0.063 0.000 0.991 267 R CB 0.019 30.359 30.300 0.067 0.000 0.883 267 R HN 0.336 nan 8.270 nan 0.000 0.457 268 E N 0.537 120.678 120.200 -0.098 0.000 2.478 268 E HA 0.013 4.363 4.350 -0.001 0.000 0.194 268 E C -0.006 176.576 176.600 -0.030 0.000 1.045 268 E CA 0.487 56.830 56.400 -0.096 0.000 0.868 268 E CB 0.300 29.892 29.700 -0.180 0.000 0.885 268 E HN 0.087 nan 8.360 nan 0.000 0.505 269 K N 1.472 121.872 120.400 -0.000 0.000 2.144 269 K HA 0.250 4.570 4.320 -0.001 0.000 0.270 269 K C 0.394 177.027 176.600 0.054 0.000 1.005 269 K CA -0.280 56.025 56.287 0.030 0.000 0.932 269 K CB 1.251 33.776 32.500 0.042 0.000 1.021 269 K HN -0.125 nan 8.250 nan 0.000 0.462 270 K N 2.158 122.594 120.400 0.060 0.000 2.202 270 K HA 0.059 4.378 4.320 -0.001 0.000 0.264 270 K C -1.594 175.087 176.600 0.134 0.000 1.010 270 K CA -1.590 54.741 56.287 0.074 0.000 0.940 270 K CB 0.327 32.861 32.500 0.056 0.000 0.983 270 K HN 0.167 nan 8.250 nan 0.000 0.475 271 P HA -0.265 nan 4.420 nan 0.000 0.215 271 P C 1.082 178.572 177.300 0.317 0.000 1.163 271 P CA 1.348 64.640 63.100 0.320 0.000 0.894 271 P CB 0.231 31.970 31.700 0.065 0.000 0.791 272 Q N 0.075 119.985 119.800 0.183 0.000 2.297 272 Q HA -0.202 4.137 4.340 -0.001 0.000 0.208 272 Q C 1.875 177.972 176.000 0.162 0.000 0.981 272 Q CA 1.654 57.559 55.803 0.170 0.000 0.876 272 Q CB -0.840 27.966 28.738 0.114 0.000 0.921 272 Q HN 0.368 nan 8.270 nan 0.000 0.446 273 E N -0.900 119.382 120.200 0.137 0.000 2.106 273 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 273 E C 1.617 178.280 176.600 0.106 0.000 0.984 273 E CA 0.962 57.426 56.400 0.108 0.000 0.806 273 E CB -0.006 29.742 29.700 0.081 0.000 0.750 273 E HN 0.259 nan 8.360 nan 0.000 0.458 274 L N 0.584 121.871 121.223 0.107 0.000 2.072 274 L HA -0.126 4.214 4.340 -0.001 0.000 0.205 274 L C 2.197 179.119 176.870 0.087 0.000 1.079 274 L CA 1.344 56.205 54.840 0.033 0.000 0.752 274 L CB -0.338 41.640 42.059 -0.134 0.000 0.906 274 L HN 0.135 nan 8.230 nan 0.000 0.436 275 I N -0.593 120.089 120.570 0.188 0.000 2.286 275 I HA -0.263 3.907 4.170 -0.001 0.000 0.248 275 I C 1.807 178.089 176.117 0.275 0.000 1.115 275 I CA 0.950 62.407 61.300 0.263 0.000 1.392 275 I CB -0.430 37.779 38.000 0.349 0.000 1.065 275 I HN 0.250 nan 8.210 nan 0.000 0.418 276 D N 0.502 121.038 120.400 0.227 0.000 2.263 276 D HA -0.111 4.529 4.640 -0.001 0.000 0.208 276 D C 1.846 178.270 176.300 0.206 0.000 0.971 276 D CA 1.454 55.587 54.000 0.221 0.000 0.867 276 D CB 0.121 41.017 40.800 0.160 0.000 0.929 276 D HN 0.403 nan 8.370 nan 0.000 0.492 277 V N -2.439 117.575 119.914 0.166 0.000 3.380 277 V HA 0.193 4.313 4.120 -0.001 0.000 0.307 277 V C 1.755 177.924 176.094 0.126 0.000 1.434 277 V CA -0.078 62.307 62.300 0.141 0.000 1.075 277 V CB 0.367 32.250 31.823 0.101 0.000 0.954 277 V HN -0.072 nan 8.190 nan 0.000 0.444 278 E N 1.041 121.304 120.200 0.105 0.000 2.097 278 E HA -0.267 4.083 4.350 -0.001 0.000 0.196 278 E C 1.481 177.978 176.600 -0.172 0.000 1.000 278 E CA 2.546 58.952 56.400 0.010 0.000 0.804 278 E CB -0.234 29.401 29.700 -0.108 0.000 0.740 278 E HN 0.797 nan 8.360 nan 0.000 0.454 279 W N 0.790 122.091 121.300 0.002 0.000 3.077 279 W HA 0.065 4.725 4.660 -0.001 0.000 0.245 279 W C 1.390 177.877 176.519 -0.053 0.000 1.316 279 W CA -0.105 57.198 57.345 -0.071 0.000 1.537 279 W CB 0.076 29.457 29.460 -0.132 0.000 1.131 279 W HN 0.096 nan 8.180 nan 0.000 0.695 280 N N 0.008 118.786 118.700 0.130 0.000 2.461 280 N HA -0.070 4.669 4.740 -0.001 0.000 0.188 280 N C 1.646 177.161 175.510 0.009 0.000 1.134 280 N CA 1.112 54.208 53.050 0.075 0.000 0.878 280 N CB -0.264 38.266 38.487 0.073 0.000 0.972 280 N HN 0.238 nan 8.380 nan 0.000 0.456 281 V N -2.303 117.587 119.914 -0.041 0.000 3.647 281 V HA 0.278 4.398 4.120 -0.001 0.000 0.279 281 V C 0.733 176.732 176.094 -0.158 0.000 1.314 281 V CA -0.152 62.086 62.300 -0.104 0.000 1.125 281 V CB -0.640 31.100 31.823 -0.140 0.000 0.907 281 V HN -0.029 nan 8.190 nan 0.000 0.434 282 L N 2.567 123.716 121.223 -0.123 0.000 2.490 282 L HA 0.201 4.541 4.340 -0.001 0.000 0.274 282 L C -0.217 176.530 176.870 -0.205 0.000 1.201 282 L CA -0.868 53.892 54.840 -0.134 0.000 0.869 282 L CB 0.682 42.724 42.059 -0.029 0.000 1.123 282 L HN 0.157 nan 8.230 nan 0.000 0.484 283 P HA -0.071 nan 4.420 nan 0.000 0.221 283 P C -0.200 176.574 177.300 -0.877 0.000 1.150 283 P CA 1.248 63.918 63.100 -0.718 0.000 0.800 283 P CB 0.257 31.332 31.700 -1.042 0.000 0.787 284 F N -0.811 119.115 119.950 -0.041 0.000 2.640 284 F HA 0.399 4.926 4.527 -0.001 0.000 0.324 284 F C 0.288 176.078 175.800 -0.016 0.000 1.077 284 F CA -1.637 56.340 58.000 -0.038 0.000 0.965 284 F CB 0.125 39.092 39.000 -0.054 0.000 1.351 284 F HN -0.367 nan 8.300 nan 0.000 0.487 285 D N 1.199 121.721 120.400 0.202 0.000 2.339 285 D HA 0.452 5.091 4.640 -0.001 0.000 0.256 285 D C -0.659 175.708 176.300 0.111 0.000 1.214 285 D CA 0.446 54.511 54.000 0.108 0.000 0.877 285 D CB 0.497 41.341 40.800 0.074 0.000 1.111 285 D HN 0.656 nan 8.370 nan 0.000 0.478 286 S N 2.621 118.373 115.700 0.087 0.000 2.636 286 S HA 0.667 5.136 4.470 -0.001 0.000 0.268 286 S C -0.462 174.163 174.600 0.041 0.000 1.159 286 S CA -1.030 57.213 58.200 0.072 0.000 0.815 286 S CB 0.500 63.770 63.200 0.116 0.000 1.130 286 S HN 0.494 nan 8.310 nan 0.000 0.471 287 I N -2.878 117.712 120.570 0.033 0.000 2.892 287 I HA 0.820 4.990 4.170 -0.001 0.000 0.306 287 I C -0.297 175.825 176.117 0.008 0.000 1.078 287 I CA -1.074 60.246 61.300 0.033 0.000 1.032 287 I CB 1.375 39.412 38.000 0.061 0.000 1.229 287 I HN 0.805 nan 8.210 nan 0.000 0.435 288 F N 1.990 121.758 119.950 -0.304 0.000 3.080 288 F HA -0.171 4.355 4.527 -0.001 0.000 0.292 288 F C -0.430 174.788 175.800 -0.971 0.000 0.891 288 F CA 0.538 58.067 58.000 -0.786 0.000 1.086 288 F CB -0.626 37.909 39.000 -0.774 0.000 1.095 288 F HN 0.619 nan 8.300 nan 0.000 0.633 289 R N 0.718 120.791 120.500 -0.712 0.000 2.532 289 R HA 0.555 4.894 4.340 -0.001 0.000 0.297 289 R C -0.982 174.954 176.300 -0.607 0.000 0.984 289 R CA -0.502 55.242 56.100 -0.593 0.000 0.884 289 R CB 1.139 31.361 30.300 -0.131 0.000 1.182 289 R HN -0.008 nan 8.270 nan 0.000 0.442 290 F N -0.367 119.694 119.950 0.186 0.000 2.508 290 F HA 0.372 4.899 4.527 -0.001 0.000 0.325 290 F C 1.660 177.390 175.800 -0.117 0.000 1.090 290 F CA -0.898 57.141 58.000 0.065 0.000 0.945 290 F CB 1.569 40.720 39.000 0.252 0.000 1.156 290 F HN 0.349 nan 8.300 nan 0.000 0.463 291 S N 0.849 116.415 115.700 -0.224 0.000 2.351 291 S HA -0.101 4.369 4.470 -0.001 0.000 0.220 291 S C 0.146 174.285 174.600 -0.767 0.000 1.035 291 S CA 1.333 59.176 58.200 -0.595 0.000 1.031 291 S CB -0.301 62.362 63.200 -0.895 0.000 0.928 291 S HN 0.362 nan 8.310 nan 0.000 0.433 292 F N 1.682 121.654 119.950 0.036 0.000 2.325 292 F HA 0.545 5.071 4.527 -0.001 0.000 0.369 292 F C 0.064 175.889 175.800 0.041 0.000 1.095 292 F CA -1.006 57.048 58.000 0.090 0.000 1.082 292 F CB 0.988 40.080 39.000 0.154 0.000 1.289 292 F HN -0.075 nan 8.300 nan 0.000 0.462 293 V N 0.755 120.653 119.914 -0.027 0.000 3.158 293 V HA 0.767 4.886 4.120 -0.001 0.000 0.311 293 V C -2.848 172.953 176.094 -0.489 0.000 1.181 293 V CA -3.357 58.627 62.300 -0.526 0.000 1.054 293 V CB 1.938 33.596 31.823 -0.275 0.000 1.085 293 V HN 0.247 nan 8.190 nan 0.000 0.446 294 P HA 0.166 nan 4.420 nan 0.000 0.267 294 P C -0.839 176.378 177.300 -0.138 0.000 1.201 294 P CA 0.371 63.283 63.100 -0.312 0.000 0.775 294 P CB 0.557 32.006 31.700 -0.418 0.000 0.854 295 V N 4.463 124.387 119.914 0.016 0.000 2.604 295 V HA 0.319 4.438 4.120 -0.001 0.000 0.305 295 V C -0.370 175.765 176.094 0.068 0.000 1.043 295 V CA -0.955 61.345 62.300 0.000 0.000 0.888 295 V CB 1.318 33.156 31.823 0.025 0.000 0.995 295 V HN 0.246 nan 8.190 nan 0.000 0.429 296 I N 6.998 127.541 120.570 -0.045 0.000 2.349 296 I HA 0.190 4.360 4.170 -0.001 0.000 0.302 296 I C 0.974 177.090 176.117 -0.002 0.000 1.180 296 I CA 0.209 61.507 61.300 -0.005 0.000 1.405 296 I CB -0.067 37.855 38.000 -0.130 0.000 1.474 296 I HN 0.817 nan 8.210 nan 0.000 0.632 297 D N 3.231 123.682 120.400 0.086 0.000 2.354 297 D HA 0.043 4.682 4.640 -0.001 0.000 0.209 297 D C 1.443 177.725 176.300 -0.029 0.000 1.015 297 D CA 0.805 54.742 54.000 -0.105 0.000 0.867 297 D CB 0.433 41.249 40.800 0.025 0.000 0.933 297 D HN 0.635 nan 8.370 nan 0.000 0.520 298 G N 0.282 109.139 108.800 0.095 0.000 2.199 298 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.254 298 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.254 298 G C 0.853 175.822 174.900 0.115 0.000 0.982 298 G CA 0.579 45.740 45.100 0.102 0.000 0.632 298 G HN 0.471 nan 8.290 nan 0.000 0.529 299 E N -1.268 119.012 120.200 0.133 0.000 2.175 299 E HA 0.374 4.724 4.350 -0.001 0.000 0.193 299 E C 1.849 178.474 176.600 0.041 0.000 0.962 299 E CA -0.089 56.370 56.400 0.097 0.000 0.981 299 E CB -0.063 29.714 29.700 0.129 0.000 1.093 299 E HN 0.224 nan 8.360 nan 0.000 0.483 300 F N 0.958 120.835 119.950 -0.123 0.000 2.161 300 F HA -0.050 4.477 4.527 -0.001 0.000 0.300 300 F C 0.203 175.702 175.800 -0.502 0.000 1.089 300 F CA 1.124 58.911 58.000 -0.355 0.000 1.282 300 F CB 0.272 38.959 39.000 -0.522 0.000 1.010 300 F HN -0.127 nan 8.300 nan 0.000 0.485 301 F N 0.617 120.712 119.950 0.241 0.000 2.403 301 F HA 0.362 4.888 4.527 -0.001 0.000 0.355 301 F C -1.651 174.188 175.800 0.066 0.000 1.119 301 F CA -2.838 55.245 58.000 0.138 0.000 1.007 301 F CB 0.735 39.813 39.000 0.129 0.000 1.194 301 F HN -0.253 nan 8.300 nan 0.000 0.443 302 P HA -0.089 nan 4.420 nan 0.000 0.215 302 P C 0.417 177.778 177.300 0.101 0.000 1.157 302 P CA 1.685 64.846 63.100 0.100 0.000 0.868 302 P CB 0.194 31.929 31.700 0.058 0.000 0.788 303 T N -5.966 108.655 114.554 0.112 0.000 2.669 303 T HA 0.476 4.826 4.350 -0.001 0.000 0.283 303 T C -0.202 174.538 174.700 0.068 0.000 1.019 303 T CA -0.701 61.444 62.100 0.074 0.000 1.039 303 T CB 0.706 69.605 68.868 0.051 0.000 1.374 303 T HN -0.007 nan 8.240 nan 0.000 0.523 304 S N 0.241 115.957 115.700 0.027 0.000 2.563 304 S HA 0.107 4.576 4.470 -0.001 0.000 0.284 304 S C 1.208 175.808 174.600 0.000 0.000 1.331 304 S CA -0.664 57.529 58.200 -0.011 0.000 1.047 304 S CB -0.121 63.070 63.200 -0.015 0.000 0.859 304 S HN 0.565 nan 8.310 nan 0.000 0.514 305 L N 1.572 122.758 121.223 -0.062 0.000 2.042 305 L HA -0.027 4.313 4.340 -0.001 0.000 0.210 305 L C 2.798 179.699 176.870 0.051 0.000 1.076 305 L CA 2.153 56.974 54.840 -0.031 0.000 0.749 305 L CB -1.623 40.356 42.059 -0.133 0.000 0.893 305 L HN 0.952 nan 8.230 nan 0.000 0.432 306 E N -0.351 119.874 120.200 0.042 0.000 2.077 306 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 306 E C 2.336 178.993 176.600 0.095 0.000 0.989 306 E CA 1.542 57.999 56.400 0.095 0.000 0.800 306 E CB -0.156 29.591 29.700 0.078 0.000 0.746 306 E HN 0.546 nan 8.360 nan 0.000 0.452 307 S N -0.551 115.189 115.700 0.066 0.000 2.402 307 S HA -0.137 4.333 4.470 -0.001 0.000 0.229 307 S C 2.100 176.743 174.600 0.072 0.000 1.021 307 S CA 1.178 59.414 58.200 0.061 0.000 0.974 307 S CB -0.331 62.893 63.200 0.039 0.000 0.800 307 S HN 0.249 nan 8.310 nan 0.000 0.484 308 M N 0.900 120.558 119.600 0.098 0.000 2.132 308 M HA 0.082 4.562 4.480 -0.001 0.000 0.263 308 M C 2.157 178.586 176.300 0.215 0.000 1.065 308 M CA 1.290 56.670 55.300 0.133 0.000 1.122 308 M CB -0.586 32.125 32.600 0.185 0.000 1.365 308 M HN 0.304 nan 8.290 nan 0.000 0.411 309 L N -0.208 121.153 121.223 0.230 0.000 2.093 309 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 309 L C 1.873 178.906 176.870 0.272 0.000 1.085 309 L CA 1.383 56.392 54.840 0.282 0.000 0.755 309 L CB -0.735 41.404 42.059 0.133 0.000 0.904 309 L HN 0.420 nan 8.230 nan 0.000 0.435 310 N N -0.591 118.212 118.700 0.172 0.000 2.188 310 N HA -0.152 4.587 4.740 -0.001 0.000 0.184 310 N C 1.826 177.429 175.510 0.155 0.000 1.018 310 N CA 1.352 54.505 53.050 0.171 0.000 0.858 310 N CB 0.057 38.614 38.487 0.117 0.000 0.989 310 N HN 0.280 nan 8.380 nan 0.000 0.426 311 S N -0.630 115.077 115.700 0.012 0.000 2.562 311 S HA 0.193 4.662 4.470 -0.001 0.000 0.221 311 S C 1.464 175.709 174.600 -0.591 0.000 0.975 311 S CA 0.357 58.474 58.200 -0.139 0.000 0.918 311 S CB 0.361 63.496 63.200 -0.107 0.000 0.772 311 S HN 0.417 nan 8.310 nan 0.000 0.531 312 G N 1.920 110.219 108.800 -0.835 0.000 2.147 312 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.244 312 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.244 312 G C -0.025 174.049 174.900 -1.376 0.000 1.005 312 G CA 0.053 44.011 45.100 -1.903 0.000 0.713 312 G HN 0.612 nan 8.290 nan 0.000 0.515 313 N N 0.672 119.007 118.700 -0.610 0.000 2.895 313 N HA 0.503 5.243 4.740 -0.001 0.000 0.277 313 N C -0.150 175.311 175.510 -0.082 0.000 1.185 313 N CA -0.084 52.776 53.050 -0.316 0.000 1.106 313 N CB -0.913 37.507 38.487 -0.111 0.000 1.422 313 N HN 0.757 nan 8.380 nan 0.000 0.521 314 F N -1.038 118.853 119.950 -0.098 0.000 2.770 314 F HA 0.392 4.919 4.527 -0.000 0.000 0.313 314 F C -0.410 175.403 175.800 0.022 0.000 1.154 314 F CA -1.440 56.573 58.000 0.021 0.000 0.923 314 F CB 0.590 39.666 39.000 0.128 0.000 1.301 314 F HN -0.131 nan 8.300 nan 0.000 0.449 315 K N 2.071 122.718 120.400 0.411 0.000 2.447 315 K HA 0.172 4.492 4.320 -0.001 0.000 0.281 315 K C -0.962 175.890 176.600 0.420 0.000 1.031 315 K CA -0.092 56.353 56.287 0.263 0.000 1.019 315 K CB 0.468 33.073 32.500 0.174 0.000 0.918 315 K HN 0.759 nan 8.250 nan 0.000 0.476 316 K N 3.237 123.752 120.400 0.192 0.000 2.281 316 K HA 0.172 4.491 4.320 -0.001 0.000 0.272 316 K C -0.229 176.489 176.600 0.196 0.000 1.048 316 K CA -0.402 55.997 56.287 0.188 0.000 0.898 316 K CB 1.814 34.321 32.500 0.011 0.000 1.128 316 K HN 0.651 nan 8.250 nan 0.000 0.460 317 T N 1.459 116.217 114.554 0.340 0.000 2.627 317 T HA 0.212 4.561 4.350 -0.001 0.000 0.294 317 T C -1.506 173.389 174.700 0.325 0.000 1.230 317 T CA -0.563 61.682 62.100 0.242 0.000 1.084 317 T CB 0.914 69.888 68.868 0.178 0.000 1.693 317 T HN 0.428 nan 8.240 nan 0.000 0.465 318 Q N 0.935 120.890 119.800 0.258 0.000 2.266 318 Q HA 0.786 5.126 4.340 -0.001 0.000 0.261 318 Q C -0.485 175.790 176.000 0.459 0.000 0.985 318 Q CA -0.575 55.430 55.803 0.337 0.000 0.873 318 Q CB 1.751 30.653 28.738 0.273 0.000 1.306 318 Q HN 0.700 nan 8.270 nan 0.000 0.447 319 I N -1.532 119.272 120.570 0.390 0.000 2.865 319 I HA 0.715 4.885 4.170 -0.001 0.000 0.302 319 I C -1.580 174.440 176.117 -0.161 0.000 1.140 319 I CA -1.392 60.007 61.300 0.164 0.000 1.021 319 I CB 1.959 39.882 38.000 -0.128 0.000 1.233 319 I HN 0.564 nan 8.210 nan 0.000 0.427 320 L N 6.460 127.354 121.223 -0.547 0.000 2.409 320 L HA 0.784 5.123 4.340 -0.001 0.000 0.272 320 L C -1.384 175.275 176.870 -0.351 0.000 0.980 320 L CA -0.525 53.886 54.840 -0.714 0.000 0.826 320 L CB 1.708 42.810 42.059 -1.595 0.000 1.268 320 L HN 0.840 nan 8.230 nan 0.000 0.407 321 L N 2.333 123.474 121.223 -0.136 0.000 2.600 321 L HA 1.113 5.453 4.340 -0.001 0.000 0.257 321 L C -0.801 175.872 176.870 -0.329 0.000 1.048 321 L CA -0.454 54.332 54.840 -0.091 0.000 0.869 321 L CB 1.969 43.964 42.059 -0.107 0.000 1.482 321 L HN 0.663 nan 8.230 nan 0.000 0.408 322 G N -0.097 108.303 108.800 -0.666 0.000 2.430 322 G HA2 0.602 4.562 3.960 -0.001 0.000 0.300 322 G HA3 0.602 4.562 3.960 -0.001 0.000 0.300 322 G C -1.529 173.030 174.900 -0.568 0.000 1.330 322 G CA -0.004 44.328 45.100 -1.279 0.000 0.813 322 G HN 1.431 nan 8.290 nan 0.000 0.487 323 V N -2.628 117.120 119.914 -0.275 0.000 3.160 323 V HA 0.762 4.881 4.120 -0.001 0.000 0.310 323 V C -0.462 175.736 176.094 0.175 0.000 1.181 323 V CA -1.378 60.966 62.300 0.073 0.000 1.047 323 V CB 1.636 33.532 31.823 0.122 0.000 1.068 323 V HN 0.825 nan 8.190 nan 0.000 0.441 324 N N 0.339 119.150 118.700 0.186 0.000 2.472 324 N HA 0.354 5.094 4.740 -0.001 0.000 0.289 324 N C 0.471 175.990 175.510 0.014 0.000 1.156 324 N CA -0.590 52.548 53.050 0.148 0.000 0.940 324 N CB 2.093 40.734 38.487 0.258 0.000 1.200 324 N HN 0.874 nan 8.380 nan 0.000 0.511 325 K N 0.419 120.736 120.400 -0.139 0.000 2.097 325 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 325 K C -0.448 176.267 176.600 0.192 0.000 1.049 325 K CA 1.268 57.564 56.287 0.014 0.000 0.933 325 K CB 0.224 32.720 32.500 -0.006 0.000 0.717 325 K HN 0.542 nan 8.250 nan 0.000 0.442 326 D N 1.247 121.748 120.400 0.168 0.000 2.749 326 D HA 0.036 4.675 4.640 -0.001 0.000 0.338 326 D C 0.061 176.484 176.300 0.205 0.000 1.236 326 D CA -0.105 54.007 54.000 0.187 0.000 0.845 326 D CB 1.233 42.123 40.800 0.149 0.000 1.080 326 D HN 0.170 nan 8.370 nan 0.000 0.497 327 E N 0.474 120.821 120.200 0.245 0.000 2.160 327 E HA -0.124 4.225 4.350 -0.001 0.000 0.195 327 E C 1.928 178.719 176.600 0.319 0.000 0.991 327 E CA 0.724 57.310 56.400 0.309 0.000 0.810 327 E CB 0.152 30.034 29.700 0.304 0.000 0.742 327 E HN 0.421 nan 8.360 nan 0.000 0.466 328 G N 1.178 110.145 108.800 0.278 0.000 2.683 328 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.213 328 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.213 328 G C 1.694 176.748 174.900 0.257 0.000 1.142 328 G CA 0.746 46.039 45.100 0.322 0.000 0.793 328 G HN 0.358 nan 8.290 nan 0.000 0.534 329 S N 0.792 116.600 115.700 0.182 0.000 2.380 329 S HA -0.252 4.217 4.470 -0.001 0.000 0.229 329 S C 2.097 176.684 174.600 -0.021 0.000 1.043 329 S CA 1.473 59.747 58.200 0.123 0.000 1.038 329 S CB -0.644 62.556 63.200 -0.001 0.000 0.872 329 S HN 0.331 nan 8.310 nan 0.000 0.456 330 F N 2.044 121.811 119.950 -0.305 0.000 2.095 330 F HA -0.004 4.523 4.527 -0.001 0.000 0.298 330 F C 1.692 177.165 175.800 -0.545 0.000 1.104 330 F CA 1.452 59.103 58.000 -0.581 0.000 1.232 330 F CB -0.450 37.992 39.000 -0.930 0.000 0.987 330 F HN 0.203 nan 8.300 nan 0.000 0.475 331 F N -0.165 119.730 119.950 -0.091 0.000 2.502 331 F HA -0.035 4.492 4.527 -0.001 0.000 0.298 331 F C 2.015 177.714 175.800 -0.169 0.000 1.111 331 F CA 0.606 58.505 58.000 -0.168 0.000 1.445 331 F CB -0.713 38.160 39.000 -0.212 0.000 1.081 331 F HN -0.029 nan 8.300 nan 0.000 0.558 332 L N -0.845 120.319 121.223 -0.099 0.000 2.131 332 L HA -0.123 4.216 4.340 -0.001 0.000 0.206 332 L C 2.402 179.040 176.870 -0.385 0.000 1.087 332 L CA 0.393 54.972 54.840 -0.435 0.000 0.767 332 L CB -0.484 41.026 42.059 -0.915 0.000 0.917 332 L HN 0.158 nan 8.230 nan 0.000 0.441 333 L N -0.750 120.425 121.223 -0.079 0.000 1.989 333 L HA -0.259 4.080 4.340 -0.001 0.000 0.211 333 L C 2.330 179.246 176.870 0.077 0.000 1.071 333 L CA 2.048 57.002 54.840 0.189 0.000 0.749 333 L CB -0.748 41.456 42.059 0.242 0.000 0.890 333 L HN 0.115 nan 8.230 nan 0.000 0.431 334 Y N -0.534 119.621 120.300 -0.242 0.000 2.497 334 Y HA 0.078 4.627 4.550 -0.001 0.000 0.292 334 Y C 2.238 178.051 175.900 -0.145 0.000 1.137 334 Y CA 1.085 59.048 58.100 -0.228 0.000 1.285 334 Y CB -0.342 37.882 38.460 -0.394 0.000 0.991 334 Y HN 0.349 nan 8.280 nan 0.000 0.556 335 G N -1.996 106.815 108.800 0.018 0.000 2.453 335 G HA2 0.332 4.292 3.960 -0.001 0.000 0.184 335 G HA3 0.332 4.292 3.960 -0.001 0.000 0.184 335 G C 0.172 175.085 174.900 0.022 0.000 1.342 335 G CA 0.240 45.342 45.100 0.003 0.000 0.771 335 G HN 0.286 nan 8.290 nan 0.000 0.956 336 A N 2.395 125.224 122.820 0.014 0.000 2.440 336 A HA 0.605 4.925 4.320 -0.001 0.000 0.251 336 A C -2.015 175.717 177.584 0.246 0.000 1.089 336 A CA -0.937 51.159 52.037 0.098 0.000 0.779 336 A CB 0.010 19.013 19.000 0.006 0.000 1.022 336 A HN 0.164 nan 8.150 nan 0.000 0.492 337 P HA 0.253 nan 4.420 nan 0.000 0.271 337 P C 0.812 178.173 177.300 0.101 0.000 1.216 337 P CA 1.277 64.447 63.100 0.116 0.000 0.771 337 P CB 1.076 32.812 31.700 0.059 0.000 0.864 338 G N 1.931 110.738 108.800 0.011 0.000 2.213 338 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.226 338 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.226 338 G C -0.282 174.418 174.900 -0.334 0.000 0.992 338 G CA -0.523 44.471 45.100 -0.177 0.000 0.632 338 G HN 0.421 nan 8.290 nan 0.000 0.511 339 F N 2.048 121.922 119.950 -0.127 0.000 2.404 339 F HA 0.743 5.270 4.527 -0.001 0.000 0.339 339 F C 0.667 176.447 175.800 -0.033 0.000 1.105 339 F CA -0.377 57.513 58.000 -0.184 0.000 1.087 339 F CB 2.205 41.125 39.000 -0.133 0.000 1.143 339 F HN 0.036 nan 8.300 nan 0.000 0.491 340 S N 1.624 117.426 115.700 0.170 0.000 2.546 340 S HA 0.273 4.742 4.470 -0.001 0.000 0.274 340 S C 0.564 175.371 174.600 0.345 0.000 1.121 340 S CA -1.122 57.203 58.200 0.208 0.000 0.887 340 S CB 2.285 65.536 63.200 0.085 0.000 1.094 340 S HN 0.708 nan 8.310 nan 0.000 0.474 341 K N 0.645 121.188 120.400 0.238 0.000 2.097 341 K HA -0.067 4.253 4.320 -0.001 0.000 0.205 341 K C -0.060 176.585 176.600 0.076 0.000 1.050 341 K CA 1.379 57.726 56.287 0.100 0.000 0.938 341 K CB 0.023 32.270 32.500 -0.420 0.000 0.718 341 K HN 0.465 nan 8.250 nan 0.000 0.442 342 D N 0.384 120.808 120.400 0.040 0.000 2.342 342 D HA 0.014 4.654 4.640 -0.001 0.000 0.221 342 D C 0.014 176.353 176.300 0.064 0.000 1.101 342 D CA 0.140 54.152 54.000 0.019 0.000 0.837 342 D CB 0.683 41.463 40.800 -0.033 0.000 0.938 342 D HN 0.184 nan 8.370 nan 0.000 0.508 343 S N -1.186 114.582 115.700 0.114 0.000 2.709 343 S HA 0.364 4.834 4.470 -0.001 0.000 0.302 343 S C 0.751 175.409 174.600 0.097 0.000 1.127 343 S CA -0.764 57.471 58.200 0.060 0.000 0.905 343 S CB 2.242 65.432 63.200 -0.017 0.000 1.151 343 S HN -0.139 nan 8.310 nan 0.000 0.510 344 E N 0.577 120.784 120.200 0.011 0.000 2.482 344 E HA 0.084 4.434 4.350 -0.001 0.000 0.196 344 E C -0.387 176.006 176.600 -0.344 0.000 1.047 344 E CA 0.329 56.726 56.400 -0.005 0.000 0.869 344 E CB -0.206 29.495 29.700 0.001 0.000 0.836 344 E HN 0.685 nan 8.360 nan 0.000 0.520 345 S N 1.161 116.595 115.700 -0.444 0.000 3.631 345 S HA -0.179 4.291 4.470 -0.001 0.000 0.366 345 S C -0.246 173.968 174.600 -0.644 0.000 0.993 345 S CA 0.660 58.431 58.200 -0.714 0.000 1.167 345 S CB -1.170 61.222 63.200 -1.345 0.000 0.909 345 S HN 0.286 nan 8.310 nan 0.000 0.478 346 K N 0.932 121.103 120.400 -0.381 0.000 2.379 346 K HA 0.246 4.565 4.320 -0.001 0.000 0.284 346 K C 0.327 176.734 176.600 -0.322 0.000 1.044 346 K CA -0.116 56.000 56.287 -0.285 0.000 0.974 346 K CB 0.370 32.768 32.500 -0.171 0.000 0.962 346 K HN 0.205 nan 8.250 nan 0.000 0.474 347 I N 2.935 123.323 120.570 -0.302 0.000 2.331 347 I HA 0.038 4.207 4.170 -0.001 0.000 0.292 347 I C 1.042 177.084 176.117 -0.126 0.000 0.998 347 I CA -0.254 60.892 61.300 -0.257 0.000 1.267 347 I CB 1.021 38.874 38.000 -0.244 0.000 1.386 347 I HN 0.676 nan 8.210 nan 0.000 0.476 348 S N 6.208 121.850 115.700 -0.097 0.000 2.608 348 S HA 0.199 4.668 4.470 -0.001 0.000 0.261 348 S C 1.175 175.775 174.600 -0.001 0.000 1.314 348 S CA -0.315 57.854 58.200 -0.053 0.000 0.992 348 S CB 1.331 64.506 63.200 -0.040 0.000 0.935 348 S HN 0.604 nan 8.310 nan 0.000 0.564 349 R N 0.749 121.247 120.500 -0.004 0.000 2.115 349 R HA -0.015 4.325 4.340 -0.001 0.000 0.230 349 R C 1.858 178.228 176.300 0.117 0.000 1.111 349 R CA 1.805 57.923 56.100 0.030 0.000 0.976 349 R CB -0.915 29.386 30.300 0.002 0.000 0.870 349 R HN 0.827 nan 8.270 nan 0.000 0.445 350 E N 0.209 120.453 120.200 0.074 0.000 2.047 350 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 350 E C 1.559 178.207 176.600 0.080 0.000 0.987 350 E CA 1.546 57.990 56.400 0.074 0.000 0.799 350 E CB -0.264 29.460 29.700 0.041 0.000 0.752 350 E HN 0.310 nan 8.360 nan 0.000 0.449 351 D N -0.448 119.990 120.400 0.063 0.000 2.178 351 D HA -0.118 4.522 4.640 -0.001 0.000 0.202 351 D C 1.589 177.950 176.300 0.102 0.000 0.974 351 D CA 0.475 54.508 54.000 0.055 0.000 0.841 351 D CB -0.246 40.550 40.800 -0.007 0.000 0.953 351 D HN 0.119 nan 8.370 nan 0.000 0.478 352 F N 1.091 121.039 119.950 -0.003 0.000 2.102 352 F HA -0.161 4.365 4.527 -0.001 0.000 0.298 352 F C 2.265 178.088 175.800 0.038 0.000 1.105 352 F CA 1.325 59.337 58.000 0.019 0.000 1.239 352 F CB -0.203 38.788 39.000 -0.015 0.000 0.991 352 F HN -0.152 nan 8.300 nan 0.000 0.474 353 M N -0.562 119.124 119.600 0.145 0.000 2.117 353 M HA -0.221 4.259 4.480 -0.001 0.000 0.262 353 M C 2.258 178.541 176.300 -0.028 0.000 1.065 353 M CA 1.856 57.191 55.300 0.057 0.000 1.114 353 M CB -0.713 31.964 32.600 0.129 0.000 1.361 353 M HN 0.062 nan 8.290 nan 0.000 0.408 354 S N 0.551 116.252 115.700 0.001 0.000 2.382 354 S HA -0.070 4.400 4.470 -0.001 0.000 0.228 354 S C 2.039 176.621 174.600 -0.031 0.000 1.027 354 S CA 1.350 59.548 58.200 -0.002 0.000 0.991 354 S CB -0.758 62.456 63.200 0.024 0.000 0.823 354 S HN 0.692 nan 8.310 nan 0.000 0.469 355 G N 1.434 110.200 108.800 -0.056 0.000 2.418 355 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.217 355 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.217 355 G C 1.458 176.269 174.900 -0.149 0.000 1.158 355 G CA 0.939 45.995 45.100 -0.073 0.000 0.771 355 G HN 0.412 nan 8.290 nan 0.000 0.545 356 V N 0.822 120.576 119.914 -0.267 0.000 2.332 356 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 356 V C 2.690 178.722 176.094 -0.103 0.000 1.055 356 V CA 2.380 64.543 62.300 -0.228 0.000 1.038 356 V CB -0.430 31.238 31.823 -0.258 0.000 0.651 356 V HN 0.433 nan 8.190 nan 0.000 0.450 357 K N -0.323 120.031 120.400 -0.077 0.000 2.097 357 K HA -0.116 4.204 4.320 -0.001 0.000 0.206 357 K C 2.071 178.646 176.600 -0.043 0.000 1.049 357 K CA 1.350 57.607 56.287 -0.050 0.000 0.933 357 K CB -0.162 32.319 32.500 -0.032 0.000 0.717 357 K HN 0.400 nan 8.250 nan 0.000 0.442 358 L N 0.278 121.482 121.223 -0.032 0.000 2.217 358 L HA -0.112 4.227 4.340 -0.001 0.000 0.211 358 L C 2.163 179.030 176.870 -0.006 0.000 1.107 358 L CA 0.854 55.689 54.840 -0.009 0.000 0.783 358 L CB -0.107 41.952 42.059 0.001 0.000 0.919 358 L HN 0.140 nan 8.230 nan 0.000 0.442 359 S N -0.973 114.710 115.700 -0.027 0.000 2.414 359 S HA 0.015 4.485 4.470 -0.001 0.000 0.227 359 S C 0.914 175.500 174.600 -0.023 0.000 1.022 359 S CA 0.412 58.602 58.200 -0.017 0.000 0.958 359 S CB 0.324 63.494 63.200 -0.050 0.000 0.797 359 S HN 0.144 nan 8.310 nan 0.000 0.493 360 V N 3.210 123.093 119.914 -0.051 0.000 2.320 360 V HA 0.220 4.340 4.120 -0.001 0.000 0.257 360 V C -1.777 174.272 176.094 -0.075 0.000 0.996 360 V CA -1.464 60.788 62.300 -0.080 0.000 0.928 360 V CB 0.785 32.573 31.823 -0.059 0.000 1.169 360 V HN 0.168 nan 8.190 nan 0.000 0.475 361 P HA -0.179 nan 4.420 nan 0.000 0.218 361 P C 0.857 177.831 177.300 -0.544 0.000 1.148 361 P CA 1.471 64.411 63.100 -0.267 0.000 0.822 361 P CB 0.264 31.872 31.700 -0.152 0.000 0.784 362 H N -0.364 118.453 119.070 -0.422 0.000 2.566 362 H HA 0.403 4.959 4.556 -0.001 0.000 0.280 362 H C 0.636 175.825 175.328 -0.232 0.000 1.042 362 H CA 0.015 55.840 56.048 -0.372 0.000 1.168 362 H CB -0.612 29.045 29.762 -0.175 0.000 1.340 362 H HN 0.162 nan 8.280 nan 0.000 0.597 363 A N 1.091 123.835 122.820 -0.126 0.000 2.292 363 A HA 0.383 4.703 4.320 -0.001 0.000 0.319 363 A C 0.116 177.647 177.584 -0.088 0.000 1.206 363 A CA -0.986 51.000 52.037 -0.084 0.000 0.835 363 A CB 0.379 19.346 19.000 -0.054 0.000 1.164 363 A HN 0.522 nan 8.150 nan 0.000 0.505 364 N N 1.512 120.174 118.700 -0.064 0.000 2.408 364 N HA 0.148 4.887 4.740 -0.001 0.000 0.260 364 N C -0.028 175.465 175.510 -0.028 0.000 1.242 364 N CA -0.394 52.627 53.050 -0.049 0.000 0.959 364 N CB 0.269 38.731 38.487 -0.042 0.000 1.201 364 N HN 0.455 nan 8.380 nan 0.000 0.511 365 D N -0.547 119.844 120.400 -0.015 0.000 2.149 365 D HA -0.166 4.474 4.640 -0.001 0.000 0.194 365 D C 1.631 177.942 176.300 0.018 0.000 1.001 365 D CA 0.965 54.968 54.000 0.004 0.000 0.849 365 D CB -0.219 40.586 40.800 0.008 0.000 0.939 365 D HN 0.485 nan 8.370 nan 0.000 0.449 366 L N 0.536 121.766 121.223 0.010 0.000 2.046 366 L HA -0.005 4.334 4.340 -0.001 0.000 0.208 366 L C 2.195 179.087 176.870 0.036 0.000 1.077 366 L CA 2.156 57.010 54.840 0.024 0.000 0.747 366 L CB -1.006 41.056 42.059 0.005 0.000 0.896 366 L HN 0.087 nan 8.230 nan 0.000 0.432 367 G N -0.463 108.340 108.800 0.004 0.000 2.421 367 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.216 367 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.216 367 G C 1.604 176.536 174.900 0.054 0.000 1.171 367 G CA 1.069 46.170 45.100 0.001 0.000 0.775 367 G HN 0.440 nan 8.290 nan 0.000 0.543 368 L N 0.469 121.717 121.223 0.040 0.000 2.079 368 L HA -0.080 4.259 4.340 -0.001 0.000 0.210 368 L C 2.477 179.410 176.870 0.105 0.000 1.081 368 L CA 1.177 56.052 54.840 0.058 0.000 0.752 368 L CB -0.409 41.669 42.059 0.032 0.000 0.896 368 L HN 0.111 nan 8.230 nan 0.000 0.433 369 D N 0.230 120.695 120.400 0.107 0.000 2.117 369 D HA -0.129 4.510 4.640 -0.001 0.000 0.198 369 D C 2.253 178.655 176.300 0.170 0.000 0.982 369 D CA 1.452 55.535 54.000 0.137 0.000 0.828 369 D CB 0.005 40.870 40.800 0.109 0.000 0.967 369 D HN 0.300 nan 8.370 nan 0.000 0.464 370 A N 0.693 123.629 122.820 0.193 0.000 1.877 370 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 370 A C 2.556 180.279 177.584 0.232 0.000 1.186 370 A CA 1.366 53.577 52.037 0.289 0.000 0.620 370 A CB -0.816 18.445 19.000 0.434 0.000 0.822 370 A HN 0.138 nan 8.150 nan 0.000 0.443 371 V N -0.241 119.824 119.914 0.250 0.000 2.261 371 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 371 V C 2.763 178.966 176.094 0.181 0.000 1.047 371 V CA 2.548 64.933 62.300 0.143 0.000 1.015 371 V CB -1.404 30.512 31.823 0.155 0.000 0.642 371 V HN 0.615 nan 8.190 nan 0.000 0.446 372 T N 0.589 115.276 114.554 0.221 0.000 2.635 372 T HA -0.234 4.115 4.350 -0.001 0.000 0.267 372 T C 1.904 176.774 174.700 0.283 0.000 1.040 372 T CA 2.039 64.343 62.100 0.339 0.000 1.156 372 T CB -0.435 68.640 68.868 0.344 0.000 0.863 372 T HN 0.288 nan 8.240 nan 0.000 0.430 373 L N 1.241 122.606 121.223 0.237 0.000 2.042 373 L HA -0.074 4.266 4.340 -0.001 0.000 0.210 373 L C 2.489 179.394 176.870 0.059 0.000 1.076 373 L CA 1.839 56.822 54.840 0.238 0.000 0.749 373 L CB -0.925 41.247 42.059 0.188 0.000 0.893 373 L HN 0.139 nan 8.230 nan 0.000 0.432 374 Q N -1.218 118.522 119.800 -0.101 0.000 2.170 374 Q HA -0.202 4.138 4.340 -0.001 0.000 0.203 374 Q C 0.960 176.735 176.000 -0.375 0.000 0.976 374 Q CA 1.860 57.432 55.803 -0.386 0.000 0.858 374 Q CB -0.217 27.954 28.738 -0.945 0.000 0.907 374 Q HN 0.684 nan 8.270 nan 0.000 0.433 375 Y N -1.016 119.234 120.300 -0.085 0.000 2.636 375 Y HA 0.356 4.905 4.550 -0.001 0.000 0.260 375 Y C -0.366 175.485 175.900 -0.082 0.000 1.177 375 Y CA -0.254 57.849 58.100 0.004 0.000 1.209 375 Y CB 0.901 39.470 38.460 0.181 0.000 1.166 375 Y HN -0.192 nan 8.280 nan 0.000 0.531 376 T N 0.350 114.837 114.554 -0.111 0.000 2.807 376 T HA 0.123 4.473 4.350 -0.001 0.000 0.279 376 T C -1.009 173.391 174.700 -0.500 0.000 0.993 376 T CA -0.714 61.110 62.100 -0.460 0.000 0.970 376 T CB 1.311 69.707 68.868 -0.786 0.000 0.950 376 T HN -0.023 nan 8.240 nan 0.000 0.441 377 D N 1.801 121.921 120.400 -0.467 0.000 2.393 377 D HA 0.129 4.769 4.640 -0.001 0.000 0.232 377 D C 0.020 176.097 176.300 -0.372 0.000 1.192 377 D CA -0.736 53.087 54.000 -0.295 0.000 0.882 377 D CB 0.401 41.086 40.800 -0.191 0.000 1.038 377 D HN 0.609 nan 8.370 nan 0.000 0.499 378 W N 3.132 124.395 121.300 -0.062 0.000 2.961 378 W HA 0.041 4.700 4.660 -0.001 0.000 0.240 378 W C 1.872 178.364 176.519 -0.045 0.000 1.305 378 W CA -0.079 57.233 57.345 -0.054 0.000 1.465 378 W CB 0.051 29.485 29.460 -0.044 0.000 1.135 378 W HN 0.412 nan 8.180 nan 0.000 0.688 379 M N -1.084 118.576 119.600 0.099 0.000 2.510 379 M HA 0.052 4.531 4.480 -0.001 0.000 0.256 379 M C 0.132 176.442 176.300 0.016 0.000 1.132 379 M CA 1.083 56.422 55.300 0.065 0.000 1.105 379 M CB 0.255 32.875 32.600 0.033 0.000 1.375 379 M HN -0.230 nan 8.290 nan 0.000 0.477 380 D N 0.392 120.767 120.400 -0.041 0.000 3.220 380 D HA 0.003 4.643 4.640 -0.001 0.000 0.309 380 D C 0.219 176.422 176.300 -0.161 0.000 1.276 380 D CA 0.017 53.972 54.000 -0.074 0.000 0.736 380 D CB 0.275 41.035 40.800 -0.067 0.000 1.304 380 D HN 0.191 nan 8.370 nan 0.000 0.582 381 D N -0.701 119.579 120.400 -0.199 0.000 2.371 381 D HA -0.104 4.536 4.640 -0.001 0.000 0.221 381 D C 0.466 176.604 176.300 -0.270 0.000 0.986 381 D CA 0.198 53.973 54.000 -0.374 0.000 0.899 381 D CB 0.191 40.672 40.800 -0.531 0.000 0.902 381 D HN 0.160 nan 8.370 nan 0.000 0.530 382 N N 0.485 119.093 118.700 -0.152 0.000 2.230 382 N HA -0.019 4.720 4.740 -0.001 0.000 0.202 382 N C -0.272 175.171 175.510 -0.112 0.000 1.119 382 N CA -0.174 52.807 53.050 -0.115 0.000 0.851 382 N CB 0.076 38.527 38.487 -0.060 0.000 0.990 382 N HN 0.360 nan 8.380 nan 0.000 0.497 383 N N 0.326 118.947 118.700 -0.131 0.000 2.400 383 N HA 0.044 4.783 4.740 -0.001 0.000 0.267 383 N C 1.501 176.941 175.510 -0.116 0.000 1.208 383 N CA -0.258 52.728 53.050 -0.106 0.000 0.951 383 N CB 0.585 39.012 38.487 -0.099 0.000 1.227 383 N HN 0.056 nan 8.380 nan 0.000 0.488 384 G N 3.632 112.372 108.800 -0.100 0.000 2.475 384 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.220 384 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.220 384 G C 1.269 176.108 174.900 -0.103 0.000 1.125 384 G CA 0.662 45.695 45.100 -0.111 0.000 0.755 384 G HN 0.671 nan 8.290 nan 0.000 0.565 385 I N -0.200 120.328 120.570 -0.071 0.000 2.406 385 I HA -0.057 4.112 4.170 -0.001 0.000 0.249 385 I C 2.751 178.863 176.117 -0.009 0.000 1.122 385 I CA 0.922 62.203 61.300 -0.033 0.000 1.431 385 I CB -0.100 37.896 38.000 -0.007 0.000 1.087 385 I HN 0.101 nan 8.210 nan 0.000 0.424 386 K N 0.727 121.103 120.400 -0.040 0.000 2.097 386 K HA -0.108 4.211 4.320 -0.001 0.000 0.205 386 K C 1.760 178.331 176.600 -0.049 0.000 1.050 386 K CA 1.352 57.615 56.287 -0.040 0.000 0.938 386 K CB -0.212 32.232 32.500 -0.094 0.000 0.718 386 K HN 0.404 nan 8.250 nan 0.000 0.442 387 N N 0.450 119.085 118.700 -0.108 0.000 2.106 387 N HA -0.159 4.580 4.740 -0.001 0.000 0.188 387 N C 1.966 177.584 175.510 0.178 0.000 1.029 387 N CA 0.541 53.532 53.050 -0.098 0.000 0.848 387 N CB 0.029 38.432 38.487 -0.140 0.000 1.007 387 N HN 0.107 nan 8.380 nan 0.000 0.423 388 R N 1.546 122.090 120.500 0.073 0.000 2.070 388 R HA -0.145 4.195 4.340 -0.001 0.000 0.233 388 R C 0.868 177.323 176.300 0.258 0.000 1.137 388 R CA 1.771 57.937 56.100 0.110 0.000 0.945 388 R CB -0.336 29.921 30.300 -0.073 0.000 0.845 388 R HN 0.181 nan 8.270 nan 0.000 0.430 389 D N -0.515 120.008 120.400 0.204 0.000 2.178 389 D HA -0.087 4.553 4.640 -0.001 0.000 0.201 389 D C 1.716 178.173 176.300 0.262 0.000 0.980 389 D CA 1.434 55.575 54.000 0.236 0.000 0.842 389 D CB -0.534 40.374 40.800 0.181 0.000 0.948 389 D HN 0.525 nan 8.370 nan 0.000 0.472 390 G N 0.701 109.666 108.800 0.275 0.000 2.421 390 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 390 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 390 G C 1.725 176.831 174.900 0.344 0.000 1.171 390 G CA 0.127 45.450 45.100 0.372 0.000 0.775 390 G HN 0.253 nan 8.290 nan 0.000 0.543 391 L N 0.234 121.685 121.223 0.381 0.000 2.083 391 L HA -0.093 4.247 4.340 -0.001 0.000 0.209 391 L C 2.617 179.560 176.870 0.123 0.000 1.083 391 L CA 1.479 56.414 54.840 0.159 0.000 0.752 391 L CB -0.256 41.942 42.059 0.232 0.000 0.899 391 L HN 0.208 nan 8.230 nan 0.000 0.433 392 D N 0.018 120.552 120.400 0.224 0.000 2.104 392 D HA -0.227 4.413 4.640 -0.001 0.000 0.194 392 D C 1.708 178.110 176.300 0.169 0.000 0.994 392 D CA 1.411 55.540 54.000 0.215 0.000 0.830 392 D CB 0.036 41.016 40.800 0.300 0.000 0.959 392 D HN 0.246 nan 8.370 nan 0.000 0.452 393 D N -0.157 120.358 120.400 0.192 0.000 2.117 393 D HA -0.102 4.537 4.640 -0.001 0.000 0.197 393 D C 2.350 178.695 176.300 0.075 0.000 0.987 393 D CA 0.414 54.544 54.000 0.217 0.000 0.829 393 D CB -0.277 40.756 40.800 0.388 0.000 0.961 393 D HN 0.352 nan 8.370 nan 0.000 0.460 394 I N 0.591 121.056 120.570 -0.174 0.000 2.118 394 I HA -0.280 3.890 4.170 -0.001 0.000 0.241 394 I C 2.434 178.443 176.117 -0.181 0.000 1.070 394 I CA 0.862 61.968 61.300 -0.323 0.000 1.327 394 I CB -0.260 37.515 38.000 -0.374 0.000 1.034 394 I HN -0.092 nan 8.210 nan 0.000 0.405 395 V N 0.894 120.754 119.914 -0.089 0.000 2.343 395 V HA -0.230 3.889 4.120 -0.001 0.000 0.247 395 V C 2.519 178.557 176.094 -0.094 0.000 1.051 395 V CA 2.225 64.490 62.300 -0.058 0.000 1.036 395 V CB -1.471 30.390 31.823 0.064 0.000 0.654 395 V HN 0.602 nan 8.190 nan 0.000 0.451 396 G N -0.550 108.251 108.800 0.002 0.000 2.394 396 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.215 396 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.215 396 G C 1.224 176.084 174.900 -0.067 0.000 1.165 396 G CA 0.874 45.989 45.100 0.025 0.000 0.784 396 G HN 0.486 nan 8.290 nan 0.000 0.535 397 D N -0.091 120.268 120.400 -0.068 0.000 2.084 397 D HA -0.108 4.532 4.640 -0.001 0.000 0.194 397 D C 2.110 178.127 176.300 -0.472 0.000 0.990 397 D CA 1.338 55.266 54.000 -0.121 0.000 0.826 397 D CB -0.486 40.379 40.800 0.109 0.000 0.971 397 D HN 0.393 nan 8.370 nan 0.000 0.453 398 H N 0.747 119.228 119.070 -0.981 0.000 2.353 398 H HA 0.025 4.581 4.556 -0.001 0.000 0.300 398 H C 1.499 176.441 175.328 -0.643 0.000 1.090 398 H CA 1.688 57.007 56.048 -1.216 0.000 1.327 398 H CB 0.013 28.877 29.762 -1.496 0.000 1.383 398 H HN 0.012 nan 8.280 nan 0.000 0.508 399 N N -0.781 117.477 118.700 -0.738 0.000 2.395 399 N HA -0.010 4.730 4.740 -0.001 0.000 0.175 399 N C 1.176 176.455 175.510 -0.385 0.000 1.029 399 N CA 1.106 53.688 53.050 -0.780 0.000 0.897 399 N CB 1.038 38.657 38.487 -1.446 0.000 0.991 399 N HN 0.282 nan 8.380 nan 0.000 0.441 400 V N 0.264 120.030 119.914 -0.246 0.000 3.161 400 V HA 0.160 4.280 4.120 -0.001 0.000 0.221 400 V C 2.057 178.137 176.094 -0.024 0.000 1.296 400 V CA -0.064 62.214 62.300 -0.036 0.000 1.306 400 V CB 0.258 32.143 31.823 0.103 0.000 1.171 400 V HN -0.050 nan 8.190 nan 0.000 0.513 401 I N 0.621 121.187 120.570 -0.008 0.000 2.113 401 I HA -0.276 3.893 4.170 -0.001 0.000 0.238 401 I C 2.572 178.697 176.117 0.014 0.000 1.070 401 I CA 1.976 63.294 61.300 0.029 0.000 1.332 401 I CB -0.469 37.582 38.000 0.085 0.000 1.044 401 I HN 0.378 nan 8.210 nan 0.000 0.402 402 c N 0.746 119.346 118.600 0.000 0.000 2.425 402 c HA -0.050 4.520 4.570 -0.001 0.000 0.277 402 c C 0.233 174.349 174.090 0.043 0.000 1.280 402 c CA 0.705 57.070 56.329 0.060 0.000 1.744 402 c CB -1.850 40.736 42.510 0.126 0.000 1.989 402 c HN 0.372 nan 8.230 nan 0.000 0.491 403 P HA -0.083 nan 4.420 nan 0.000 0.216 403 P C 1.769 179.096 177.300 0.045 0.000 1.153 403 P CA 1.014 64.088 63.100 -0.043 0.000 0.844 403 P CB -0.166 31.420 31.700 -0.189 0.000 0.787 404 L N -1.663 119.566 121.223 0.009 0.000 2.046 404 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 404 L C 2.075 178.988 176.870 0.071 0.000 1.077 404 L CA 1.703 56.562 54.840 0.033 0.000 0.747 404 L CB -0.559 41.491 42.059 -0.014 0.000 0.896 404 L HN -0.103 nan 8.230 nan 0.000 0.432 405 M N -1.060 118.570 119.600 0.051 0.000 2.213 405 M HA -0.225 4.255 4.480 -0.001 0.000 0.263 405 M C 2.226 178.586 176.300 0.099 0.000 1.062 405 M CA 1.599 56.925 55.300 0.043 0.000 1.105 405 M CB -1.599 31.042 32.600 0.068 0.000 1.385 405 M HN 0.435 nan 8.290 nan 0.000 0.417 406 H N -0.253 118.849 119.070 0.054 0.000 2.357 406 H HA -0.144 4.412 4.556 -0.001 0.000 0.301 406 H C 1.829 177.196 175.328 0.064 0.000 1.082 406 H CA 1.827 57.913 56.048 0.063 0.000 1.342 406 H CB -0.329 29.467 29.762 0.058 0.000 1.389 406 H HN 0.234 nan 8.280 nan 0.000 0.511 407 F N 0.351 120.257 119.950 -0.074 0.000 2.102 407 F HA -0.168 4.359 4.527 -0.001 0.000 0.298 407 F C 2.220 177.933 175.800 -0.145 0.000 1.105 407 F CA 1.520 59.432 58.000 -0.146 0.000 1.239 407 F CB -0.748 38.176 39.000 -0.126 0.000 0.991 407 F HN 0.062 nan 8.300 nan 0.000 0.474 408 V N 0.849 120.664 119.914 -0.166 0.000 2.287 408 V HA -0.376 3.744 4.120 -0.001 0.000 0.248 408 V C 1.976 177.906 176.094 -0.273 0.000 1.053 408 V CA 2.541 64.636 62.300 -0.340 0.000 1.027 408 V CB -1.072 30.470 31.823 -0.468 0.000 0.646 408 V HN 0.389 nan 8.190 nan 0.000 0.447 409 N N -0.471 118.152 118.700 -0.128 0.000 2.188 409 N HA -0.127 4.612 4.740 -0.001 0.000 0.184 409 N C 1.865 177.345 175.510 -0.051 0.000 1.018 409 N CA 0.803 53.875 53.050 0.036 0.000 0.858 409 N CB -0.077 38.463 38.487 0.088 0.000 0.989 409 N HN 0.323 nan 8.380 nan 0.000 0.426 410 K N 0.092 120.375 120.400 -0.195 0.000 2.062 410 K HA -0.090 4.230 4.320 -0.001 0.000 0.205 410 K C 1.730 178.292 176.600 -0.065 0.000 1.051 410 K CA 0.900 57.099 56.287 -0.146 0.000 0.941 410 K CB -0.577 31.772 32.500 -0.251 0.000 0.719 410 K HN 0.314 nan 8.250 nan 0.000 0.440 411 Y N 2.328 122.361 120.300 -0.444 0.000 2.200 411 Y HA -0.197 4.353 4.550 -0.001 0.000 0.290 411 Y C 2.134 178.015 175.900 -0.033 0.000 1.137 411 Y CA 1.802 59.646 58.100 -0.425 0.000 1.163 411 Y CB -0.292 37.608 38.460 -0.932 0.000 0.988 411 Y HN 0.015 nan 8.280 nan 0.000 0.518 412 T N 0.508 115.105 114.554 0.071 0.000 2.897 412 T HA -0.184 4.166 4.350 -0.001 0.000 0.271 412 T C 1.613 176.318 174.700 0.009 0.000 1.084 412 T CA 1.630 63.803 62.100 0.121 0.000 1.123 412 T CB -0.190 68.844 68.868 0.277 0.000 0.865 412 T HN 0.352 nan 8.240 nan 0.000 0.496 413 K N -0.142 120.220 120.400 -0.064 0.000 2.217 413 K HA 0.046 4.365 4.320 -0.001 0.000 0.202 413 K C 1.098 177.410 176.600 -0.481 0.000 1.051 413 K CA 1.017 57.134 56.287 -0.283 0.000 0.952 413 K CB -0.003 32.260 32.500 -0.395 0.000 0.736 413 K HN 0.380 nan 8.250 nan 0.000 0.453 414 F N -0.338 119.559 119.950 -0.088 0.000 2.752 414 F HA 0.226 4.753 4.527 -0.001 0.000 0.310 414 F C 1.456 177.143 175.800 -0.190 0.000 1.097 414 F CA -0.604 57.302 58.000 -0.156 0.000 1.238 414 F CB 0.116 38.957 39.000 -0.266 0.000 1.061 414 F HN -0.109 nan 8.300 nan 0.000 0.591 415 G N -0.018 108.726 108.800 -0.093 0.000 2.683 415 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.260 415 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.260 415 G C 0.378 175.324 174.900 0.077 0.000 1.238 415 G CA -0.307 44.757 45.100 -0.059 0.000 0.934 415 G HN 0.312 nan 8.290 nan 0.000 0.534 416 N N -0.544 118.250 118.700 0.157 0.000 2.234 416 N HA 0.301 5.041 4.740 -0.001 0.000 0.227 416 N C 0.277 175.858 175.510 0.119 0.000 1.151 416 N CA 0.409 53.526 53.050 0.111 0.000 0.865 416 N CB 0.319 38.867 38.487 0.101 0.000 1.066 416 N HN 0.883 nan 8.380 nan 0.000 0.515 417 G N 0.638 109.519 108.800 0.135 0.000 2.380 417 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.250 417 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.250 417 G C -1.214 173.711 174.900 0.041 0.000 1.578 417 G CA -0.779 44.357 45.100 0.059 0.000 0.974 417 G HN 0.017 nan 8.290 nan 0.000 0.680 418 T N 1.674 116.138 114.554 -0.151 0.000 2.841 418 T HA 0.687 5.037 4.350 -0.001 0.000 0.283 418 T C -1.229 173.191 174.700 -0.466 0.000 1.000 418 T CA -0.343 61.668 62.100 -0.147 0.000 0.977 418 T CB 1.369 70.251 68.868 0.023 0.000 0.979 418 T HN 0.422 nan 8.240 nan 0.000 0.446 419 Y N 2.054 122.273 120.300 -0.135 0.000 2.326 419 Y HA 0.640 5.190 4.550 -0.001 0.000 0.329 419 Y C -0.524 175.409 175.900 0.056 0.000 0.973 419 Y CA -1.116 56.830 58.100 -0.257 0.000 1.162 419 Y CB 1.473 39.341 38.460 -0.987 0.000 1.147 419 Y HN 0.433 nan 8.280 nan 0.000 0.456 420 L N 6.015 127.592 121.223 0.591 0.000 2.346 420 L HA 0.648 4.987 4.340 -0.001 0.000 0.276 420 L C -1.286 176.042 176.870 0.763 0.000 1.006 420 L CA -1.006 54.135 54.840 0.501 0.000 0.817 420 L CB 0.820 43.030 42.059 0.253 0.000 1.272 420 L HN 0.519 nan 8.230 nan 0.000 0.421 421 Y N 3.202 123.817 120.300 0.525 0.000 2.576 421 Y HA 0.737 5.287 4.550 -0.001 0.000 0.346 421 Y C -1.810 174.353 175.900 0.439 0.000 1.018 421 Y CA -2.038 56.306 58.100 0.406 0.000 1.050 421 Y CB 1.340 39.973 38.460 0.289 0.000 1.280 421 Y HN 0.532 nan 8.280 nan 0.000 0.474 422 F N 4.331 124.599 119.950 0.529 0.000 2.500 422 F HA 0.475 5.002 4.527 -0.001 0.000 0.349 422 F C -1.955 174.145 175.800 0.500 0.000 1.127 422 F CA -1.905 56.338 58.000 0.404 0.000 0.998 422 F CB 0.728 39.942 39.000 0.356 0.000 1.237 422 F HN 0.565 nan 8.300 nan 0.000 0.439 423 F N 7.954 127.911 119.950 0.011 0.000 2.413 423 F HA 0.306 4.833 4.527 -0.001 0.000 0.359 423 F C 0.214 175.823 175.800 -0.318 0.000 1.122 423 F CA -0.286 57.686 58.000 -0.047 0.000 1.160 423 F CB 0.523 39.590 39.000 0.112 0.000 1.146 423 F HN 0.537 nan 8.300 nan 0.000 0.514 424 N N 3.371 121.713 118.700 -0.598 0.000 2.517 424 N HA 0.081 4.821 4.740 -0.001 0.000 0.285 424 N C -1.237 174.062 175.510 -0.352 0.000 1.528 424 N CA -0.495 52.310 53.050 -0.408 0.000 0.892 424 N CB -0.601 37.784 38.487 -0.169 0.000 1.356 424 N HN 0.599 nan 8.380 nan 0.000 0.495 425 H N 0.518 119.112 119.070 -0.794 0.000 2.504 425 H HA 0.431 4.987 4.556 -0.001 0.000 0.322 425 H C -0.494 174.686 175.328 -0.248 0.000 1.055 425 H CA -0.626 55.111 56.048 -0.518 0.000 1.231 425 H CB 0.980 30.336 29.762 -0.677 0.000 1.417 425 H HN 0.124 nan 8.280 nan 0.000 0.472 426 R N 4.139 124.272 120.500 -0.612 0.000 2.234 426 R HA 0.519 4.859 4.340 -0.001 0.000 0.324 426 R C -0.562 175.441 176.300 -0.494 0.000 1.054 426 R CA -0.583 55.307 56.100 -0.350 0.000 0.912 426 R CB 0.393 30.588 30.300 -0.176 0.000 1.030 426 R HN 0.790 nan 8.270 nan 0.000 0.455 427 A N 2.999 125.788 122.820 -0.051 0.000 2.511 427 A HA 0.035 4.355 4.320 -0.001 0.000 0.242 427 A C 1.299 178.942 177.584 0.099 0.000 1.069 427 A CA 0.371 52.546 52.037 0.230 0.000 0.763 427 A CB 0.395 19.716 19.000 0.535 0.000 1.001 427 A HN 1.020 nan 8.150 nan 0.000 0.498 428 S N 1.541 117.329 115.700 0.147 0.000 2.419 428 S HA -0.181 4.288 4.470 -0.001 0.000 0.233 428 S C 0.902 175.495 174.600 -0.012 0.000 1.016 428 S CA 1.252 59.489 58.200 0.062 0.000 0.974 428 S CB -0.493 62.765 63.200 0.096 0.000 0.786 428 S HN 0.932 nan 8.310 nan 0.000 0.492 429 N N 0.549 119.205 118.700 -0.074 0.000 2.251 429 N HA 0.263 5.003 4.740 -0.001 0.000 0.217 429 N C -0.339 175.111 175.510 -0.101 0.000 1.124 429 N CA -0.452 52.505 53.050 -0.155 0.000 0.843 429 N CB -0.491 37.781 38.487 -0.358 0.000 1.024 429 N HN 0.304 nan 8.380 nan 0.000 0.501 430 L N 1.542 122.752 121.223 -0.021 0.000 2.513 430 L HA 0.029 4.368 4.340 -0.001 0.000 0.272 430 L C 1.309 178.164 176.870 -0.025 0.000 1.187 430 L CA 0.039 54.885 54.840 0.010 0.000 0.895 430 L CB 1.011 43.085 42.059 0.025 0.000 1.147 430 L HN 0.240 nan 8.230 nan 0.000 0.483 431 V N 1.295 121.162 119.914 -0.079 0.000 3.235 431 V HA 0.091 4.211 4.120 -0.001 0.000 0.259 431 V C 0.658 176.758 176.094 0.011 0.000 1.133 431 V CA -0.358 61.878 62.300 -0.108 0.000 1.128 431 V CB -1.188 30.450 31.823 -0.310 0.000 0.757 431 V HN 0.646 nan 8.190 nan 0.000 0.469 432 W N 2.025 123.351 121.300 0.044 0.000 2.184 432 W HA 0.482 5.142 4.660 -0.001 0.000 0.338 432 W C -1.668 174.775 176.519 -0.127 0.000 1.257 432 W CA -2.020 55.329 57.345 0.008 0.000 1.243 432 W CB -0.143 29.241 29.460 -0.127 0.000 1.122 432 W HN 0.017 nan 8.180 nan 0.000 0.585 433 P HA -0.077 nan 4.420 nan 0.000 0.270 433 P C 0.368 177.585 177.300 -0.140 0.000 1.223 433 P CA 0.345 63.410 63.100 -0.058 0.000 0.785 433 P CB 0.964 32.621 31.700 -0.070 0.000 0.923 434 E N 1.364 121.551 120.200 -0.022 0.000 2.110 434 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 434 E C 1.927 178.553 176.600 0.043 0.000 0.988 434 E CA 1.409 57.817 56.400 0.013 0.000 0.804 434 E CB -0.577 29.167 29.700 0.073 0.000 0.745 434 E HN 0.724 nan 8.360 nan 0.000 0.458 435 W N 0.351 121.699 121.300 0.080 0.000 2.387 435 W HA -0.113 4.547 4.660 -0.001 0.000 0.272 435 W C 1.447 178.032 176.519 0.110 0.000 1.224 435 W CA 0.497 57.898 57.345 0.094 0.000 1.210 435 W CB -0.816 28.706 29.460 0.102 0.000 1.125 435 W HN -0.010 nan 8.180 nan 0.000 0.572 436 M N 1.308 120.583 119.600 -0.543 0.000 2.562 436 M HA 0.124 4.604 4.480 -0.001 0.000 0.257 436 M C 1.759 177.958 176.300 -0.169 0.000 1.099 436 M CA 1.445 56.396 55.300 -0.583 0.000 1.099 436 M CB -0.634 31.431 32.600 -0.892 0.000 1.427 436 M HN 0.168 nan 8.290 nan 0.000 0.489 437 G N 0.523 109.281 108.800 -0.070 0.000 2.596 437 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.295 437 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.295 437 G C -0.182 174.703 174.900 -0.024 0.000 1.240 437 G CA -0.225 44.873 45.100 -0.003 0.000 0.985 437 G HN 0.205 nan 8.290 nan 0.000 0.555 438 V N 1.962 121.894 119.914 0.030 0.000 2.313 438 V HA 0.362 4.481 4.120 -0.001 0.000 0.252 438 V C 1.149 177.317 176.094 0.124 0.000 1.112 438 V CA -0.034 62.316 62.300 0.083 0.000 0.984 438 V CB -0.127 31.750 31.823 0.089 0.000 1.157 438 V HN 0.529 nan 8.190 nan 0.000 0.493 439 I N 2.899 123.508 120.570 0.065 0.000 2.836 439 I HA 0.071 4.241 4.170 -0.001 0.000 0.285 439 I C 0.966 177.245 176.117 0.269 0.000 1.174 439 I CA -0.356 60.989 61.300 0.074 0.000 1.405 439 I CB 0.122 37.997 38.000 -0.209 0.000 1.385 439 I HN 0.562 nan 8.210 nan 0.000 0.594 440 H N 4.278 123.394 119.070 0.077 0.000 3.187 440 H HA 0.172 4.728 4.556 -0.001 0.000 0.286 440 H C 0.959 176.258 175.328 -0.049 0.000 0.944 440 H CA 0.970 57.036 56.048 0.030 0.000 1.429 440 H CB -0.015 29.724 29.762 -0.037 0.000 1.483 440 H HN 0.754 nan 8.280 nan 0.000 0.555 441 G N 3.839 112.464 108.800 -0.291 0.000 2.175 441 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.244 441 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.244 441 G C 0.433 175.273 174.900 -0.100 0.000 0.982 441 G CA 0.332 45.242 45.100 -0.317 0.000 0.641 441 G HN 0.632 nan 8.290 nan 0.000 0.527 442 Y N 1.251 121.618 120.300 0.111 0.000 2.495 442 Y HA 0.270 4.819 4.550 -0.001 0.000 0.293 442 Y C 2.160 178.162 175.900 0.170 0.000 1.186 442 Y CA 0.810 59.054 58.100 0.241 0.000 1.266 442 Y CB 0.460 39.092 38.460 0.287 0.000 1.101 442 Y HN 0.510 nan 8.280 nan 0.000 0.517 443 E N -0.457 119.693 120.200 -0.082 0.000 2.431 443 E HA -0.005 4.344 4.350 -0.001 0.000 0.200 443 E C 1.557 178.079 176.600 -0.129 0.000 0.995 443 E CA 0.472 56.523 56.400 -0.583 0.000 0.915 443 E CB -0.407 28.569 29.700 -1.206 0.000 0.930 443 E HN 0.517 nan 8.360 nan 0.000 0.496 444 I N 2.802 123.391 120.570 0.031 0.000 2.208 444 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 444 I C 2.635 178.808 176.117 0.094 0.000 1.097 444 I CA 2.116 63.492 61.300 0.126 0.000 1.363 444 I CB -0.483 37.646 38.000 0.215 0.000 1.051 444 I HN 0.216 nan 8.210 nan 0.000 0.413 445 E N 0.987 121.204 120.200 0.029 0.000 2.204 445 E HA -0.229 4.121 4.350 -0.001 0.000 0.195 445 E C 1.990 178.456 176.600 -0.222 0.000 0.990 445 E CA 1.457 57.792 56.400 -0.107 0.000 0.821 445 E CB -0.475 29.152 29.700 -0.121 0.000 0.750 445 E HN 0.436 nan 8.360 nan 0.000 0.477 446 F N 1.093 120.955 119.950 -0.146 0.000 2.335 446 F HA -0.011 4.516 4.527 -0.001 0.000 0.296 446 F C 2.346 177.985 175.800 -0.268 0.000 1.091 446 F CA 0.490 58.369 58.000 -0.203 0.000 1.399 446 F CB -0.106 38.826 39.000 -0.113 0.000 1.067 446 F HN -0.136 nan 8.300 nan 0.000 0.520 447 V N -1.047 118.798 119.914 -0.113 0.000 2.427 447 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 447 V C 1.601 177.520 176.094 -0.292 0.000 1.051 447 V CA 1.554 63.645 62.300 -0.349 0.000 1.048 447 V CB -0.653 30.996 31.823 -0.290 0.000 0.666 447 V HN 0.196 nan 8.190 nan 0.000 0.456 448 F N 0.511 120.327 119.950 -0.223 0.000 2.732 448 F HA 0.415 4.941 4.527 -0.001 0.000 0.303 448 F C 1.817 177.526 175.800 -0.152 0.000 1.110 448 F CA 0.536 58.431 58.000 -0.176 0.000 1.355 448 F CB -0.303 38.579 39.000 -0.196 0.000 1.081 448 F HN 0.255 nan 8.300 nan 0.000 0.565 449 G N 0.241 108.963 108.800 -0.131 0.000 2.179 449 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.257 449 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.257 449 G C 1.220 175.833 174.900 -0.478 0.000 1.010 449 G CA 0.412 45.361 45.100 -0.252 0.000 0.736 449 G HN 0.303 nan 8.290 nan 0.000 0.513 450 L N -0.283 120.642 121.223 -0.496 0.000 2.127 450 L HA -0.079 4.260 4.340 -0.001 0.000 0.211 450 L C 0.338 176.820 176.870 -0.647 0.000 1.089 450 L CA 2.539 57.035 54.840 -0.574 0.000 0.757 450 L CB -1.818 40.020 42.059 -0.369 0.000 0.899 450 L HN 0.226 nan 8.230 nan 0.000 0.434 451 P HA -0.121 nan 4.420 nan 0.000 0.222 451 P C 1.731 178.804 177.300 -0.378 0.000 1.147 451 P CA 0.750 63.308 63.100 -0.903 0.000 0.790 451 P CB 0.089 31.158 31.700 -1.051 0.000 0.780 452 L N -1.904 119.095 121.223 -0.373 0.000 2.465 452 L HA -0.049 4.290 4.340 -0.001 0.000 0.224 452 L C 0.733 177.475 176.870 -0.214 0.000 1.145 452 L CA 0.957 55.653 54.840 -0.241 0.000 0.834 452 L CB -0.890 41.042 42.059 -0.211 0.000 0.944 452 L HN -0.211 nan 8.230 nan 0.000 0.451 453 V N 0.892 120.640 119.914 -0.278 0.000 2.372 453 V HA 0.059 4.179 4.120 -0.001 0.000 0.261 453 V C 1.637 177.684 176.094 -0.078 0.000 1.055 453 V CA -0.403 61.782 62.300 -0.192 0.000 0.930 453 V CB 0.930 32.599 31.823 -0.257 0.000 1.031 453 V HN 0.256 nan 8.190 nan 0.000 0.479 454 K N 4.937 125.304 120.400 -0.054 0.000 2.044 454 K HA -0.199 4.121 4.320 -0.001 0.000 0.210 454 K C 1.840 178.424 176.600 -0.026 0.000 1.049 454 K CA 2.225 58.496 56.287 -0.027 0.000 0.927 454 K CB 0.122 32.607 32.500 -0.025 0.000 0.713 454 K HN 0.825 nan 8.250 nan 0.000 0.443 455 E N 0.618 120.797 120.200 -0.036 0.000 2.401 455 E HA -0.171 4.179 4.350 -0.001 0.000 0.199 455 E C 1.865 178.430 176.600 -0.058 0.000 1.023 455 E CA 0.542 56.916 56.400 -0.043 0.000 0.859 455 E CB -0.348 29.328 29.700 -0.041 0.000 0.780 455 E HN 0.195 nan 8.360 nan 0.000 0.523 456 L N 1.326 122.522 121.223 -0.045 0.000 2.478 456 L HA 0.028 4.368 4.340 -0.001 0.000 0.223 456 L C -0.124 176.637 176.870 -0.180 0.000 1.140 456 L CA 0.448 55.245 54.840 -0.071 0.000 0.842 456 L CB -0.930 41.168 42.059 0.066 0.000 0.953 456 L HN 0.044 nan 8.230 nan 0.000 0.452 457 N N -0.994 117.646 118.700 -0.100 0.000 2.746 457 N HA -0.262 4.477 4.740 -0.001 0.000 0.250 457 N C -0.669 174.733 175.510 -0.181 0.000 1.055 457 N CA 0.652 53.629 53.050 -0.122 0.000 0.699 457 N CB -1.777 36.624 38.487 -0.144 0.000 0.919 457 N HN 0.275 nan 8.380 nan 0.000 0.548 458 Y N 0.042 120.307 120.300 -0.058 0.000 2.432 458 Y HA 0.394 4.944 4.550 -0.001 0.000 0.322 458 Y C 1.780 177.678 175.900 -0.002 0.000 1.246 458 Y CA -0.273 57.811 58.100 -0.028 0.000 1.268 458 Y CB 0.766 39.173 38.460 -0.088 0.000 1.276 458 Y HN 0.148 nan 8.280 nan 0.000 0.499 459 T N -1.846 112.835 114.554 0.212 0.000 2.788 459 T HA 0.382 4.731 4.350 -0.001 0.000 0.287 459 T C 1.162 175.923 174.700 0.102 0.000 1.007 459 T CA -0.197 61.980 62.100 0.128 0.000 1.005 459 T CB 1.087 70.032 68.868 0.129 0.000 1.012 459 T HN 0.759 nan 8.240 nan 0.000 0.530 460 A N 0.414 123.269 122.820 0.059 0.000 1.969 460 A HA 0.006 4.326 4.320 -0.001 0.000 0.218 460 A C 2.160 179.760 177.584 0.026 0.000 1.169 460 A CA 1.357 53.413 52.037 0.032 0.000 0.635 460 A CB -0.970 18.041 19.000 0.019 0.000 0.810 460 A HN 0.885 nan 8.150 nan 0.000 0.445 461 E N 0.515 120.736 120.200 0.035 0.000 2.110 461 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 461 E C 1.828 178.438 176.600 0.017 0.000 0.988 461 E CA 1.484 57.891 56.400 0.011 0.000 0.804 461 E CB -0.300 29.403 29.700 0.004 0.000 0.745 461 E HN 0.761 nan 8.360 nan 0.000 0.458 462 E N 0.357 120.612 120.200 0.092 0.000 2.204 462 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 462 E C 2.003 178.660 176.600 0.094 0.000 0.989 462 E CA 0.983 57.510 56.400 0.211 0.000 0.824 462 E CB -0.011 29.927 29.700 0.397 0.000 0.756 462 E HN 0.395 nan 8.360 nan 0.000 0.477 463 E N 1.089 121.291 120.200 0.002 0.000 2.107 463 E HA -0.139 4.211 4.350 -0.001 0.000 0.191 463 E C 2.039 178.608 176.600 -0.050 0.000 0.982 463 E CA 0.903 57.258 56.400 -0.075 0.000 0.809 463 E CB -0.034 29.628 29.700 -0.062 0.000 0.756 463 E HN 0.182 nan 8.360 nan 0.000 0.459 464 A N 1.204 124.009 122.820 -0.026 0.000 1.902 464 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 464 A C 2.158 179.719 177.584 -0.038 0.000 1.181 464 A CA 1.309 53.323 52.037 -0.038 0.000 0.623 464 A CB -0.672 18.309 19.000 -0.032 0.000 0.818 464 A HN 0.409 nan 8.150 nan 0.000 0.443 465 L N -0.172 121.048 121.223 -0.005 0.000 2.017 465 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 465 L C 2.578 179.481 176.870 0.054 0.000 1.073 465 L CA 2.635 57.478 54.840 0.005 0.000 0.745 465 L CB -0.944 41.102 42.059 -0.022 0.000 0.894 465 L HN 0.343 nan 8.230 nan 0.000 0.432 466 S N -0.638 115.143 115.700 0.136 0.000 2.359 466 S HA -0.242 4.227 4.470 -0.001 0.000 0.224 466 S C 2.197 176.751 174.600 -0.076 0.000 1.035 466 S CA 1.597 59.824 58.200 0.044 0.000 1.018 466 S CB -0.252 62.857 63.200 -0.151 0.000 0.876 466 S HN 0.551 nan 8.310 nan 0.000 0.448 467 R N 0.142 120.590 120.500 -0.086 0.000 2.096 467 R HA 0.009 4.348 4.340 -0.001 0.000 0.235 467 R C 2.713 178.943 176.300 -0.117 0.000 1.127 467 R CA 1.462 57.503 56.100 -0.099 0.000 0.968 467 R CB -0.283 29.959 30.300 -0.097 0.000 0.861 467 R HN 0.393 nan 8.270 nan 0.000 0.440 468 R N 0.857 121.266 120.500 -0.151 0.000 2.092 468 R HA -0.039 4.300 4.340 -0.001 0.000 0.231 468 R C 2.049 178.106 176.300 -0.406 0.000 1.119 468 R CA 1.145 57.066 56.100 -0.297 0.000 0.970 468 R CB -0.063 30.077 30.300 -0.266 0.000 0.864 468 R HN 0.168 nan 8.270 nan 0.000 0.440 469 I N 0.156 120.613 120.570 -0.189 0.000 2.233 469 I HA -0.253 3.916 4.170 -0.001 0.000 0.243 469 I C 2.310 178.330 176.117 -0.162 0.000 1.093 469 I CA 1.149 62.363 61.300 -0.144 0.000 1.380 469 I CB -0.116 37.686 38.000 -0.329 0.000 1.067 469 I HN 0.256 nan 8.210 nan 0.000 0.413 470 M N -0.481 119.013 119.600 -0.177 0.000 2.149 470 M HA -0.265 4.215 4.480 -0.001 0.000 0.261 470 M C 2.362 178.705 176.300 0.072 0.000 1.064 470 M CA 1.739 56.973 55.300 -0.110 0.000 1.102 470 M CB -0.697 31.840 32.600 -0.104 0.000 1.369 470 M HN 0.281 nan 8.290 nan 0.000 0.408 471 H N -0.516 118.525 119.070 -0.048 0.000 2.436 471 H HA -0.100 4.456 4.556 -0.001 0.000 0.294 471 H C 1.488 176.913 175.328 0.163 0.000 1.048 471 H CA 1.619 57.666 56.048 -0.000 0.000 1.353 471 H CB 0.055 29.765 29.762 -0.088 0.000 1.414 471 H HN 0.261 nan 8.280 nan 0.000 0.536 472 Y N -0.821 119.622 120.300 0.238 0.000 2.114 472 Y HA -0.239 4.311 4.550 -0.001 0.000 0.284 472 Y C 2.530 178.628 175.900 0.330 0.000 1.143 472 Y CA 1.077 59.367 58.100 0.317 0.000 1.135 472 Y CB -1.083 37.775 38.460 0.664 0.000 0.980 472 Y HN 0.336 nan 8.280 nan 0.000 0.499 473 W N -0.420 120.975 121.300 0.157 0.000 2.333 473 W HA -0.254 4.405 4.660 -0.001 0.000 0.316 473 W C 2.610 179.122 176.519 -0.011 0.000 1.215 473 W CA 1.150 58.515 57.345 0.033 0.000 1.278 473 W CB -0.566 28.852 29.460 -0.071 0.000 1.154 473 W HN 0.062 nan 8.180 nan 0.000 0.486 474 A N -0.027 122.904 122.820 0.185 0.000 1.930 474 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 474 A C 1.809 179.379 177.584 -0.022 0.000 1.175 474 A CA 2.226 54.288 52.037 0.041 0.000 0.627 474 A CB -1.179 17.841 19.000 0.034 0.000 0.815 474 A HN 0.218 nan 8.150 nan 0.000 0.443 475 T N -0.841 113.658 114.554 -0.092 0.000 2.821 475 T HA -0.087 4.263 4.350 -0.001 0.000 0.267 475 T C 1.584 176.232 174.700 -0.087 0.000 1.046 475 T CA 1.441 63.445 62.100 -0.160 0.000 1.139 475 T CB -0.356 68.333 68.868 -0.300 0.000 0.871 475 T HN 0.509 nan 8.240 nan 0.000 0.454 476 F N 2.413 122.260 119.950 -0.172 0.000 2.113 476 F HA 0.066 4.593 4.527 -0.001 0.000 0.297 476 F C 2.460 178.170 175.800 -0.150 0.000 1.103 476 F CA 0.997 58.862 58.000 -0.226 0.000 1.248 476 F CB -0.721 38.084 39.000 -0.324 0.000 0.999 476 F HN 0.131 nan 8.300 nan 0.000 0.475 477 A N 0.330 123.083 122.820 -0.111 0.000 1.978 477 A HA -0.269 4.050 4.320 -0.001 0.000 0.220 477 A C 2.332 179.792 177.584 -0.205 0.000 1.170 477 A CA 2.076 54.010 52.037 -0.171 0.000 0.636 477 A CB -0.890 18.082 19.000 -0.047 0.000 0.810 477 A HN 0.547 nan 8.150 nan 0.000 0.448 478 K N -1.008 119.296 120.400 -0.161 0.000 2.137 478 K HA -0.086 4.234 4.320 -0.001 0.000 0.202 478 K C 1.746 178.254 176.600 -0.154 0.000 1.052 478 K CA 1.779 57.992 56.287 -0.124 0.000 0.961 478 K CB -0.050 32.403 32.500 -0.079 0.000 0.741 478 K HN 0.590 nan 8.250 nan 0.000 0.452 479 T N -4.815 109.617 114.554 -0.204 0.000 2.975 479 T HA 0.256 4.606 4.350 -0.001 0.000 0.257 479 T C 1.090 175.639 174.700 -0.252 0.000 1.003 479 T CA 0.448 62.438 62.100 -0.183 0.000 0.932 479 T CB 0.900 69.691 68.868 -0.129 0.000 1.087 479 T HN 0.311 nan 8.240 nan 0.000 0.512 480 G N 1.506 110.015 108.800 -0.484 0.000 2.141 480 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.242 480 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.242 480 G C -0.169 174.589 174.900 -0.236 0.000 0.982 480 G CA 0.059 44.786 45.100 -0.620 0.000 0.662 480 G HN 0.919 nan 8.290 nan 0.000 0.527 481 N N -0.217 118.361 118.700 -0.204 0.000 2.478 481 N HA 0.497 5.236 4.740 -0.001 0.000 0.291 481 N C -1.424 173.930 175.510 -0.260 0.000 1.090 481 N CA -1.489 51.432 53.050 -0.215 0.000 0.911 481 N CB 2.030 40.469 38.487 -0.079 0.000 1.546 481 N HN -0.103 nan 8.380 nan 0.000 0.500 482 P HA -0.095 nan 4.420 nan 0.000 0.223 482 P C -0.606 176.699 177.300 0.009 0.000 1.151 482 P CA 0.790 63.748 63.100 -0.238 0.000 0.787 482 P CB 0.160 31.495 31.700 -0.607 0.000 0.788 483 N N 1.622 120.291 118.700 -0.050 0.000 2.530 483 N HA 0.061 4.801 4.740 -0.001 0.000 0.273 483 N C 0.166 175.705 175.510 0.047 0.000 1.173 483 N CA 0.086 53.191 53.050 0.093 0.000 0.967 483 N CB 0.568 39.113 38.487 0.097 0.000 1.109 483 N HN 0.043 nan 8.380 nan 0.000 0.453 484 E N 2.998 123.258 120.200 0.100 0.000 2.257 484 E HA 0.136 4.485 4.350 -0.001 0.000 0.278 484 E C -2.196 174.415 176.600 0.019 0.000 1.049 484 E CA -1.642 54.804 56.400 0.076 0.000 0.876 484 E CB 0.441 30.237 29.700 0.160 0.000 1.035 484 E HN 0.304 nan 8.360 nan 0.000 0.419 485 P HA -0.052 nan 4.420 nan 0.000 0.263 485 P C -0.890 176.269 177.300 -0.236 0.000 1.195 485 P CA 0.366 63.308 63.100 -0.264 0.000 0.762 485 P CB 0.335 31.827 31.700 -0.347 0.000 0.799 486 H N -1.649 117.456 119.070 0.058 0.000 2.819 486 H HA -0.120 4.435 4.556 -0.001 0.000 0.323 486 H C 0.325 175.688 175.328 0.060 0.000 1.243 486 H CA 0.788 56.868 56.048 0.053 0.000 1.163 486 H CB -2.137 27.650 29.762 0.042 0.000 1.493 486 H HN 0.467 nan 8.280 nan 0.000 0.434 487 S N -0.719 115.062 115.700 0.136 0.000 2.713 487 S HA 0.353 4.823 4.470 -0.001 0.000 0.283 487 S C 1.328 175.992 174.600 0.108 0.000 1.161 487 S CA -0.509 57.763 58.200 0.120 0.000 0.999 487 S CB 1.515 64.789 63.200 0.123 0.000 1.039 487 S HN 0.323 nan 8.310 nan 0.000 0.548 488 Q N 0.562 120.418 119.800 0.093 0.000 2.304 488 Q HA 0.245 4.585 4.340 -0.001 0.000 0.204 488 Q C 0.070 176.117 176.000 0.080 0.000 0.936 488 Q CA 0.630 56.478 55.803 0.076 0.000 0.878 488 Q CB -0.688 28.085 28.738 0.058 0.000 0.983 488 Q HN 0.640 nan 8.270 nan 0.000 0.516 489 E N 1.468 121.723 120.200 0.091 0.000 2.428 489 E HA 0.077 4.426 4.350 -0.001 0.000 0.257 489 E C -0.195 176.479 176.600 0.123 0.000 1.197 489 E CA 0.080 56.540 56.400 0.101 0.000 0.974 489 E CB 0.351 30.119 29.700 0.114 0.000 0.976 489 E HN -0.060 nan 8.360 nan 0.000 0.463 490 S N 1.331 117.105 115.700 0.124 0.000 2.568 490 S HA 0.071 4.541 4.470 -0.001 0.000 0.282 490 S C -0.016 174.693 174.600 0.182 0.000 1.338 490 S CA -0.282 57.993 58.200 0.126 0.000 1.045 490 S CB 0.314 63.574 63.200 0.099 0.000 0.873 490 S HN 0.192 nan 8.310 nan 0.000 0.516 491 K N 1.806 122.307 120.400 0.168 0.000 2.183 491 K HA 0.152 4.471 4.320 -0.001 0.000 0.274 491 K C -0.577 176.189 176.600 0.277 0.000 1.009 491 K CA -0.434 55.984 56.287 0.218 0.000 0.888 491 K CB 0.813 33.419 32.500 0.176 0.000 1.078 491 K HN 0.689 nan 8.250 nan 0.000 0.459 492 W N 7.430 128.785 121.300 0.090 0.000 2.481 492 W HA 0.162 4.822 4.660 -0.001 0.000 0.320 492 W C -2.277 174.364 176.519 0.202 0.000 1.209 492 W CA -2.484 54.912 57.345 0.085 0.000 1.400 492 W CB -0.065 29.358 29.460 -0.062 0.000 1.361 492 W HN 0.383 nan 8.180 nan 0.000 0.456 493 P HA 0.104 nan 4.420 nan 0.000 0.274 493 P C -0.101 177.386 177.300 0.311 0.000 1.237 493 P CA -0.223 63.090 63.100 0.354 0.000 0.793 493 P CB 1.621 33.451 31.700 0.216 0.000 0.977 494 L N 1.710 122.980 121.223 0.079 0.000 2.467 494 L HA 0.147 4.487 4.340 -0.001 0.000 0.270 494 L C 0.839 177.699 176.870 -0.017 0.000 1.205 494 L CA -0.422 54.285 54.840 -0.221 0.000 0.828 494 L CB -0.147 41.787 42.059 -0.208 0.000 1.101 494 L HN 0.355 nan 8.230 nan 0.000 0.479 495 F N 2.254 122.103 119.950 -0.169 0.000 2.411 495 F HA 0.378 4.905 4.527 -0.001 0.000 0.355 495 F C 0.338 176.113 175.800 -0.043 0.000 1.117 495 F CA -0.546 57.443 58.000 -0.018 0.000 1.139 495 F CB 0.974 39.988 39.000 0.023 0.000 1.120 495 F HN 0.452 nan 8.300 nan 0.000 0.493 496 T N 1.129 115.369 114.554 -0.523 0.000 2.932 496 T HA 0.277 4.627 4.350 -0.001 0.000 0.289 496 T C 0.896 175.278 174.700 -0.529 0.000 1.039 496 T CA -0.431 61.463 62.100 -0.344 0.000 1.024 496 T CB 1.499 70.248 68.868 -0.198 0.000 1.090 496 T HN 0.541 nan 8.240 nan 0.000 0.496 497 T N 0.573 114.992 114.554 -0.224 0.000 2.759 497 T HA -0.102 4.248 4.350 -0.001 0.000 0.269 497 T C 1.732 176.329 174.700 -0.171 0.000 1.042 497 T CA 1.633 63.645 62.100 -0.146 0.000 1.140 497 T CB -0.233 68.593 68.868 -0.070 0.000 0.864 497 T HN 0.725 nan 8.240 nan 0.000 0.455 498 K N 0.436 120.738 120.400 -0.163 0.000 2.044 498 K HA -0.040 4.280 4.320 -0.001 0.000 0.204 498 K C 2.258 178.777 176.600 -0.137 0.000 1.045 498 K CA 0.889 57.104 56.287 -0.120 0.000 0.951 498 K CB 0.163 32.611 32.500 -0.086 0.000 0.738 498 K HN 0.119 nan 8.250 nan 0.000 0.443 499 E N 0.786 120.880 120.200 -0.176 0.000 2.170 499 E HA -0.107 4.243 4.350 -0.001 0.000 0.191 499 E C 0.001 176.484 176.600 -0.195 0.000 0.981 499 E CA 0.470 56.782 56.400 -0.146 0.000 0.830 499 E CB 0.042 29.673 29.700 -0.114 0.000 0.775 499 E HN 0.335 nan 8.360 nan 0.000 0.470 500 Q N 0.839 120.356 119.800 -0.471 0.000 2.451 500 Q HA -0.204 4.136 4.340 -0.001 0.000 0.305 500 Q C -0.655 175.320 176.000 -0.041 0.000 1.345 500 Q CA 0.663 56.067 55.803 -0.666 0.000 0.854 500 Q CB -1.680 26.923 28.738 -0.225 0.000 1.162 500 Q HN 0.197 nan 8.270 nan 0.000 0.440 501 K N 0.717 121.116 120.400 -0.001 0.000 2.185 501 K HA 0.594 4.913 4.320 -0.001 0.000 0.271 501 K C -0.010 176.888 176.600 0.496 0.000 1.013 501 K CA -0.051 56.356 56.287 0.200 0.000 0.943 501 K CB 0.535 33.088 32.500 0.089 0.000 0.998 501 K HN 0.219 nan 8.250 nan 0.000 0.468 502 F N 0.109 120.230 119.950 0.284 0.000 2.715 502 F HA 0.656 5.183 4.527 -0.001 0.000 0.318 502 F C -1.023 174.887 175.800 0.185 0.000 1.141 502 F CA -1.558 56.639 58.000 0.329 0.000 0.950 502 F CB 0.750 39.950 39.000 0.334 0.000 1.374 502 F HN 0.418 nan 8.300 nan 0.000 0.477 503 I N -0.971 119.717 120.570 0.196 0.000 2.892 503 I HA 0.626 4.796 4.170 -0.001 0.000 0.306 503 I C -1.350 174.901 176.117 0.224 0.000 1.078 503 I CA -0.903 60.352 61.300 -0.077 0.000 1.032 503 I CB 2.198 39.937 38.000 -0.435 0.000 1.229 503 I HN 0.432 nan 8.210 nan 0.000 0.435 504 D N 4.148 124.660 120.400 0.186 0.000 2.255 504 D HA 0.469 5.109 4.640 -0.001 0.000 0.249 504 D C -0.686 175.685 176.300 0.119 0.000 1.078 504 D CA 0.084 54.275 54.000 0.318 0.000 0.896 504 D CB 2.488 43.479 40.800 0.317 0.000 1.194 504 D HN 0.449 nan 8.370 nan 0.000 0.429 505 L N 3.490 124.782 121.223 0.115 0.000 2.324 505 L HA 0.342 4.681 4.340 -0.001 0.000 0.274 505 L C 0.208 176.967 176.870 -0.185 0.000 1.012 505 L CA -0.379 54.473 54.840 0.019 0.000 0.859 505 L CB 0.116 42.268 42.059 0.156 0.000 1.224 505 L HN 0.463 nan 8.230 nan 0.000 0.429 506 N N -0.423 118.177 118.700 -0.166 0.000 3.277 506 N HA 0.189 4.929 4.740 -0.001 0.000 0.278 506 N C 0.267 175.637 175.510 -0.233 0.000 1.544 506 N CA -0.556 52.331 53.050 -0.272 0.000 0.869 506 N CB 1.265 39.657 38.487 -0.158 0.000 1.584 506 N HN 0.150 nan 8.380 nan 0.000 0.564 507 T N -2.786 111.580 114.554 -0.313 0.000 3.163 507 T HA 0.060 4.409 4.350 -0.001 0.000 0.260 507 T C 0.103 174.747 174.700 -0.093 0.000 1.156 507 T CA 0.803 62.765 62.100 -0.230 0.000 1.072 507 T CB -0.313 68.382 68.868 -0.288 0.000 0.937 507 T HN 0.416 nan 8.240 nan 0.000 0.528 508 E N 2.236 122.402 120.200 -0.056 0.000 2.280 508 E HA 0.423 4.773 4.350 -0.001 0.000 0.261 508 E C -2.472 174.123 176.600 -0.009 0.000 1.088 508 E CA -2.407 53.984 56.400 -0.015 0.000 0.915 508 E CB 0.239 29.945 29.700 0.010 0.000 1.141 508 E HN 0.153 nan 8.360 nan 0.000 0.433 509 P HA -0.031 nan 4.420 nan 0.000 0.271 509 P C -0.266 177.037 177.300 0.005 0.000 1.226 509 P CA 0.010 63.115 63.100 0.008 0.000 0.765 509 P CB 0.442 32.148 31.700 0.010 0.000 0.835 510 M N 3.400 123.007 119.600 0.012 0.000 2.209 510 M HA -0.099 4.380 4.480 -0.001 0.000 0.361 510 M C -0.245 176.025 176.300 -0.050 0.000 1.211 510 M CA 1.363 56.658 55.300 -0.008 0.000 0.899 510 M CB -0.022 32.591 32.600 0.020 0.000 1.817 510 M HN 0.325 nan 8.290 nan 0.000 0.476 511 K N 3.641 123.977 120.400 -0.106 0.000 2.422 511 K HA 0.617 4.937 4.320 -0.001 0.000 0.251 511 K C -1.566 174.781 176.600 -0.420 0.000 0.933 511 K CA -0.928 55.221 56.287 -0.229 0.000 0.798 511 K CB 2.561 34.934 32.500 -0.211 0.000 1.238 511 K HN 0.508 nan 8.250 nan 0.000 0.428 512 V N 3.414 123.034 119.914 -0.490 0.000 2.547 512 V HA 0.401 4.521 4.120 -0.001 0.000 0.299 512 V C -0.224 175.389 176.094 -0.802 0.000 1.040 512 V CA -0.626 61.368 62.300 -0.511 0.000 0.913 512 V CB 1.373 33.058 31.823 -0.230 0.000 0.992 512 V HN 0.722 nan 8.190 nan 0.000 0.449 513 H N 2.530 121.258 119.070 -0.570 0.000 2.949 513 H HA 0.663 5.219 4.556 -0.001 0.000 0.310 513 H C -1.107 173.957 175.328 -0.440 0.000 1.405 513 H CA -0.813 54.872 56.048 -0.605 0.000 1.253 513 H CB 2.187 31.374 29.762 -0.959 0.000 1.932 513 H HN 0.571 nan 8.280 nan 0.000 0.602 514 Q N 0.240 120.076 119.800 0.060 0.000 2.379 514 Q HA 0.385 4.724 4.340 -0.001 0.000 0.278 514 Q C -0.760 175.469 176.000 0.382 0.000 1.068 514 Q CA -0.893 55.049 55.803 0.231 0.000 0.816 514 Q CB 2.951 31.750 28.738 0.101 0.000 1.387 514 Q HN 0.475 nan 8.270 nan 0.000 0.413 515 R N 0.912 121.631 120.500 0.364 0.000 3.084 515 R HA -0.191 4.149 4.340 -0.001 0.000 0.258 515 R C -0.646 175.791 176.300 0.228 0.000 0.914 515 R CA -0.028 56.227 56.100 0.259 0.000 0.646 515 R CB -1.565 28.831 30.300 0.160 0.000 1.330 515 R HN 0.603 nan 8.270 nan 0.000 0.465 516 L N 1.790 123.074 121.223 0.102 0.000 2.584 516 L HA 0.014 4.354 4.340 -0.001 0.000 0.272 516 L C 1.263 178.071 176.870 -0.103 0.000 1.195 516 L CA 0.158 54.832 54.840 -0.277 0.000 0.920 516 L CB 0.220 41.806 42.059 -0.789 0.000 1.173 516 L HN 0.500 nan 8.230 nan 0.000 0.489 517 R N 2.954 123.403 120.500 -0.086 0.000 3.610 517 R HA -0.207 4.132 4.340 -0.001 0.000 0.274 517 R C 0.744 177.090 176.300 0.077 0.000 1.123 517 R CA 1.046 57.150 56.100 0.007 0.000 0.747 517 R CB -2.099 28.221 30.300 0.032 0.000 1.149 517 R HN 0.621 nan 8.270 nan 0.000 0.471 518 V N -0.327 119.632 119.914 0.075 0.000 2.287 518 V HA -0.334 3.786 4.120 -0.001 0.000 0.248 518 V C 2.120 178.277 176.094 0.105 0.000 1.053 518 V CA 2.724 65.084 62.300 0.101 0.000 1.027 518 V CB -0.122 31.758 31.823 0.096 0.000 0.646 518 V HN 0.703 nan 8.190 nan 0.000 0.447 519 Q N -0.835 119.010 119.800 0.074 0.000 2.030 519 Q HA -0.210 4.130 4.340 -0.001 0.000 0.204 519 Q C 2.113 178.167 176.000 0.091 0.000 0.986 519 Q CA 2.519 58.354 55.803 0.054 0.000 0.843 519 Q CB -0.366 28.375 28.738 0.005 0.000 0.904 519 Q HN 0.544 nan 8.270 nan 0.000 0.420 520 M N -1.081 118.592 119.600 0.122 0.000 2.175 520 M HA -0.120 4.360 4.480 -0.001 0.000 0.264 520 M C 2.333 178.903 176.300 0.449 0.000 1.063 520 M CA 0.883 56.327 55.300 0.240 0.000 1.119 520 M CB -1.152 31.635 32.600 0.313 0.000 1.377 520 M HN 0.333 nan 8.290 nan 0.000 0.415 521 c N -0.418 118.395 118.600 0.356 0.000 2.446 521 c HA -0.027 4.543 4.570 -0.001 0.000 0.279 521 c C 2.921 177.187 174.090 0.294 0.000 1.366 521 c CA 0.228 56.777 56.329 0.367 0.000 1.763 521 c CB -0.875 41.782 42.510 0.246 0.000 1.929 521 c HN 0.313 nan 8.230 nan 0.000 0.509 522 V N 0.475 120.526 119.914 0.230 0.000 2.427 522 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 522 V C 2.033 178.246 176.094 0.199 0.000 1.051 522 V CA 2.078 64.487 62.300 0.180 0.000 1.048 522 V CB -0.753 31.151 31.823 0.134 0.000 0.666 522 V HN 0.565 nan 8.190 nan 0.000 0.456 523 F N 0.011 120.004 119.950 0.072 0.000 2.075 523 F HA -0.192 4.335 4.527 -0.001 0.000 0.297 523 F C 1.994 177.786 175.800 -0.014 0.000 1.113 523 F CA 1.793 59.791 58.000 -0.003 0.000 1.218 523 F CB -0.447 38.443 39.000 -0.183 0.000 0.984 523 F HN 0.167 nan 8.300 nan 0.000 0.472 524 W N 0.801 122.192 121.300 0.152 0.000 2.388 524 W HA -0.050 4.609 4.660 -0.001 0.000 0.294 524 W C 2.219 178.700 176.519 -0.062 0.000 1.212 524 W CA 1.482 58.835 57.345 0.014 0.000 1.271 524 W CB -0.720 28.862 29.460 0.203 0.000 1.126 524 W HN 0.041 nan 8.180 nan 0.000 0.535 525 N N -1.095 117.722 118.700 0.194 0.000 2.405 525 N HA -0.058 4.682 4.740 -0.001 0.000 0.175 525 N C 1.395 176.903 175.510 -0.004 0.000 1.051 525 N CA 0.664 53.747 53.050 0.054 0.000 0.899 525 N CB 0.074 38.611 38.487 0.083 0.000 1.000 525 N HN 0.115 nan 8.380 nan 0.000 0.451 526 Q N -0.664 119.149 119.800 0.022 0.000 2.644 526 Q HA 0.221 4.560 4.340 -0.001 0.000 0.220 526 Q C 1.170 177.159 176.000 -0.018 0.000 0.866 526 Q CA 0.115 55.930 55.803 0.020 0.000 0.915 526 Q CB -0.210 28.576 28.738 0.079 0.000 1.191 526 Q HN 0.131 nan 8.270 nan 0.000 0.641 527 F N 0.843 120.696 119.950 -0.161 0.000 2.060 527 F HA -0.150 4.377 4.527 -0.001 0.000 0.295 527 F C 1.805 177.403 175.800 -0.337 0.000 1.120 527 F CA 1.096 58.966 58.000 -0.216 0.000 1.205 527 F CB -0.451 38.440 39.000 -0.181 0.000 0.986 527 F HN 0.157 nan 8.300 nan 0.000 0.470 528 L N 1.156 121.953 121.223 -0.709 0.000 2.043 528 L HA -0.119 4.221 4.340 -0.001 0.000 0.212 528 L C -0.873 175.708 176.870 -0.481 0.000 1.075 528 L CA 2.238 56.616 54.840 -0.770 0.000 0.752 528 L CB -1.950 39.562 42.059 -0.911 0.000 0.891 528 L HN 0.022 nan 8.230 nan 0.000 0.432 529 P HA -0.179 nan 4.420 nan 0.000 0.215 529 P C 1.507 178.668 177.300 -0.232 0.000 1.153 529 P CA 1.614 64.585 63.100 -0.215 0.000 0.853 529 P CB -0.013 31.598 31.700 -0.149 0.000 0.788 530 K N -0.598 119.632 120.400 -0.283 0.000 2.026 530 K HA -0.131 4.189 4.320 -0.001 0.000 0.208 530 K C 2.079 178.493 176.600 -0.310 0.000 1.048 530 K CA 1.114 57.248 56.287 -0.256 0.000 0.929 530 K CB -0.915 31.438 32.500 -0.244 0.000 0.713 530 K HN 0.111 nan 8.250 nan 0.000 0.439 531 L N 1.311 122.229 121.223 -0.508 0.000 1.989 531 L HA -0.224 4.116 4.340 -0.001 0.000 0.211 531 L C 2.096 178.813 176.870 -0.255 0.000 1.071 531 L CA 1.393 55.966 54.840 -0.445 0.000 0.749 531 L CB -0.208 41.465 42.059 -0.644 0.000 0.890 531 L HN 0.192 nan 8.230 nan 0.000 0.431 532 L N 0.103 121.185 121.223 -0.236 0.000 2.131 532 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 532 L C 2.477 179.283 176.870 -0.108 0.000 1.092 532 L CA 1.465 56.219 54.840 -0.144 0.000 0.759 532 L CB -0.878 41.107 42.059 -0.124 0.000 0.903 532 L HN 0.517 nan 8.230 nan 0.000 0.435 533 N N 0.696 119.325 118.700 -0.118 0.000 2.300 533 N HA -0.111 4.629 4.740 -0.001 0.000 0.179 533 N C 1.742 177.208 175.510 -0.074 0.000 1.016 533 N CA 1.266 54.266 53.050 -0.084 0.000 0.876 533 N CB 0.250 38.687 38.487 -0.083 0.000 0.979 533 N HN 0.280 nan 8.380 nan 0.000 0.432 534 A N -0.052 122.712 122.820 -0.093 0.000 2.119 534 A HA -0.003 4.316 4.320 -0.001 0.000 0.216 534 A C 1.343 178.891 177.584 -0.059 0.000 1.152 534 A CA 1.352 53.346 52.037 -0.073 0.000 0.708 534 A CB -0.463 18.486 19.000 -0.084 0.000 0.805 534 A HN 0.479 nan 8.150 nan 0.000 0.460 535 T N -2.973 111.541 114.554 -0.067 0.000 3.255 535 T HA 0.705 5.054 4.350 -0.001 0.000 0.243 535 T C -0.160 174.515 174.700 -0.041 0.000 1.057 535 T CA 0.292 62.362 62.100 -0.051 0.000 1.121 535 T CB -0.320 68.515 68.868 -0.055 0.000 1.104 535 T HN 1.228 nan 8.240 nan 0.000 0.571 536 A N 0.000 122.799 122.820 -0.035 0.000 2.254 536 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 536 A CA 0.000 nan 52.037 nan 0.000 0.836 536 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 536 A HN 0.000 nan 8.150 nan 0.000 0.486