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 1pkx_1_B DATA FIRST_RESID 4 DATA SEQUENCE GQLALFSVSD KTGLVEFARN LTALGLNLVA SGGTAKALRD AGLAVRDVSE DATA SEQUENCE LTGFPEMLGG RVKTLHPAVH AGILARNIPE DNADMARLDF NLIRVVACNL DATA SEQUENCE YPFVKTVASP GVTVEEAVEQ IDIGGVTLLR AAAKNHARVT VVCEPEDYVV DATA SEQUENCE VSTEMQSSES KDTSLETRRQ LALKAFTHTA QYDEAISDYF RKQYSKGVSQ DATA SEQUENCE MPLRYGMNPH QTPAQLYTLQ PKLPITVLNG APGFINLCDA LNAWQLVKEL DATA SEQUENCE KEALGIPAAA SFKHVSPAGA AVGIPLSEDE AKVCMVYDLY KTLTPISAAY DATA SEQUENCE ARARGADRMS SFGDFVALSD VCDVPTAKII SREVSDGIIA PGYEEEALTI DATA SEQUENCE LSKKKNGNYC VLQMDQSYKP DENEVRTLFG LHLSQKRNNG VVDKSLFSNV DATA SEQUENCE VTKNKDLPES ALRDLIVATI AVKYTQSNSV CYAKNGQVIG IGAGQQSRIH DATA SEQUENCE CTRLAGDKAN YWWLRHHPQV LSMKFKTGVK RAEISNAIDQ YVTGTIGEDE DATA SEQUENCE DLIKWKALFE EVPELLTEAE KKEWVEKLTE VSISSDAFFP FRDNVDRAKR DATA SEQUENCE SGVAYIAAPS GSAADKVVIE ACDELGIILA HTNLRLFHH 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 4 G C 0.000 174.894 174.900 -0.010 0.000 0.946 4 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 5 Q N 0.773 120.563 119.800 -0.016 0.000 2.260 5 Q HA 0.585 4.925 4.340 -0.001 0.000 0.238 5 Q C 0.100 176.080 176.000 -0.033 0.000 0.948 5 Q CA -0.538 55.252 55.803 -0.022 0.000 0.895 5 Q CB 2.062 30.786 28.738 -0.024 0.000 1.218 5 Q HN 0.537 nan 8.270 nan 0.000 0.470 6 L N 0.723 121.921 121.223 -0.042 0.000 2.357 6 L HA 0.628 4.968 4.340 -0.001 0.000 0.273 6 L C -0.261 176.552 176.870 -0.095 0.000 1.080 6 L CA -0.756 54.051 54.840 -0.054 0.000 0.803 6 L CB 1.033 43.059 42.059 -0.056 0.000 1.174 6 L HN 0.565 nan 8.230 nan 0.000 0.443 7 A N 3.261 126.020 122.820 -0.102 0.000 2.319 7 A HA 0.686 5.005 4.320 -0.001 0.000 0.310 7 A C -1.125 176.271 177.584 -0.314 0.000 1.152 7 A CA -0.426 51.461 52.037 -0.250 0.000 0.783 7 A CB 1.252 20.140 19.000 -0.188 0.000 1.184 7 A HN 0.548 nan 8.150 nan 0.000 0.474 8 L N 3.000 123.948 121.223 -0.459 0.000 2.296 8 L HA 0.858 5.197 4.340 -0.001 0.000 0.286 8 L C -1.614 174.943 176.870 -0.522 0.000 1.023 8 L CA -0.266 54.383 54.840 -0.319 0.000 0.812 8 L CB 0.558 42.495 42.059 -0.204 0.000 1.223 8 L HN 0.527 nan 8.230 nan 0.000 0.421 9 F N 3.134 123.068 119.950 -0.027 0.000 2.520 9 F HA 0.679 5.206 4.527 -0.001 0.000 0.322 9 F C 0.285 176.086 175.800 0.002 0.000 1.103 9 F CA -0.652 57.349 58.000 0.002 0.000 0.926 9 F CB 2.226 41.226 39.000 0.001 0.000 1.154 9 F HN 0.412 nan 8.300 nan 0.000 0.453 10 S N 2.737 118.542 115.700 0.176 0.000 2.417 10 S HA 0.537 5.007 4.470 -0.001 0.000 0.189 10 S C -1.603 173.060 174.600 0.105 0.000 1.005 10 S CA -0.568 57.698 58.200 0.109 0.000 1.116 10 S CB 0.168 63.399 63.200 0.052 0.000 1.343 10 S HN 0.684 nan 8.310 nan 0.000 0.406 11 V N 2.169 122.160 119.914 0.128 0.000 2.604 11 V HA 0.774 4.894 4.120 -0.001 0.000 0.305 11 V C 1.107 177.263 176.094 0.103 0.000 1.043 11 V CA -0.182 62.192 62.300 0.123 0.000 0.888 11 V CB 1.374 33.303 31.823 0.176 0.000 0.995 11 V HN 0.576 nan 8.190 nan 0.000 0.429 12 S N 1.830 117.595 115.700 0.108 0.000 2.362 12 S HA -0.077 4.393 4.470 -0.001 0.000 0.221 12 S C 0.845 175.518 174.600 0.122 0.000 1.032 12 S CA 1.371 59.645 58.200 0.122 0.000 0.973 12 S CB -0.277 63.042 63.200 0.198 0.000 0.849 12 S HN 1.047 nan 8.310 nan 0.000 0.465 13 D N 0.755 121.228 120.400 0.122 0.000 2.347 13 D HA 0.314 4.954 4.640 -0.001 0.000 0.235 13 D C 0.003 176.364 176.300 0.101 0.000 1.149 13 D CA -0.229 53.831 54.000 0.101 0.000 0.850 13 D CB 1.191 42.038 40.800 0.078 0.000 1.061 13 D HN -0.000 nan 8.370 nan 0.000 0.487 14 K N 1.452 121.908 120.400 0.093 0.000 2.476 14 K HA 0.126 4.446 4.320 -0.001 0.000 0.196 14 K C 0.182 176.852 176.600 0.116 0.000 1.025 14 K CA -0.036 56.313 56.287 0.105 0.000 1.138 14 K CB -0.013 32.527 32.500 0.067 0.000 0.860 14 K HN 0.338 nan 8.250 nan 0.000 0.515 15 T N 0.970 115.582 114.554 0.097 0.000 2.866 15 T HA 0.172 4.521 4.350 -0.001 0.000 0.293 15 T C 1.412 176.212 174.700 0.168 0.000 1.005 15 T CA 1.056 63.208 62.100 0.086 0.000 1.162 15 T CB 0.481 69.368 68.868 0.032 0.000 0.968 15 T HN 0.587 nan 8.240 nan 0.000 0.530 16 G N 2.195 111.093 108.800 0.164 0.000 2.189 16 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.267 16 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.267 16 G C 0.871 175.938 174.900 0.278 0.000 0.975 16 G CA 0.540 45.794 45.100 0.257 0.000 0.644 16 G HN 0.715 nan 8.290 nan 0.000 0.537 17 L N 0.930 122.284 121.223 0.220 0.000 1.990 17 L HA -0.027 4.312 4.340 -0.001 0.000 0.213 17 L C 2.895 179.721 176.870 -0.073 0.000 1.072 17 L CA 2.972 57.852 54.840 0.067 0.000 0.755 17 L CB -0.872 41.218 42.059 0.051 0.000 0.889 17 L HN 0.276 nan 8.230 nan 0.000 0.432 18 V N -0.114 119.768 119.914 -0.052 0.000 2.252 18 V HA -0.354 3.766 4.120 -0.001 0.000 0.249 18 V C 2.644 178.697 176.094 -0.069 0.000 1.056 18 V CA 2.242 64.488 62.300 -0.090 0.000 1.022 18 V CB -0.721 31.071 31.823 -0.051 0.000 0.641 18 V HN 0.640 nan 8.190 nan 0.000 0.445 19 E N -0.824 119.378 120.200 0.004 0.000 2.110 19 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 19 E C 2.090 178.725 176.600 0.059 0.000 0.988 19 E CA 1.412 57.832 56.400 0.033 0.000 0.804 19 E CB -0.162 29.583 29.700 0.076 0.000 0.745 19 E HN 0.535 nan 8.360 nan 0.000 0.458 20 F N 1.195 121.055 119.950 -0.150 0.000 2.075 20 F HA -0.088 4.439 4.527 -0.001 0.000 0.297 20 F C 2.085 177.794 175.800 -0.153 0.000 1.113 20 F CA 1.544 59.414 58.000 -0.216 0.000 1.218 20 F CB -0.872 37.736 39.000 -0.654 0.000 0.984 20 F HN 0.063 nan 8.300 nan 0.000 0.472 21 A N 0.392 123.031 122.820 -0.302 0.000 1.940 21 A HA -0.236 4.083 4.320 -0.001 0.000 0.219 21 A C 2.388 179.819 177.584 -0.255 0.000 1.176 21 A CA 1.875 53.659 52.037 -0.422 0.000 0.631 21 A CB -0.891 17.698 19.000 -0.685 0.000 0.814 21 A HN 0.477 nan 8.150 nan 0.000 0.446 22 R N -0.251 120.143 120.500 -0.176 0.000 2.092 22 R HA -0.128 4.212 4.340 -0.001 0.000 0.231 22 R C 1.758 178.001 176.300 -0.095 0.000 1.119 22 R CA 1.651 57.683 56.100 -0.114 0.000 0.970 22 R CB -0.284 29.972 30.300 -0.073 0.000 0.864 22 R HN 0.503 nan 8.270 nan 0.000 0.440 23 N N 0.635 119.280 118.700 -0.091 0.000 2.166 23 N HA -0.143 4.597 4.740 -0.001 0.000 0.186 23 N C 1.752 177.194 175.510 -0.113 0.000 1.019 23 N CA 1.256 54.267 53.050 -0.066 0.000 0.856 23 N CB -0.145 38.340 38.487 -0.003 0.000 0.993 23 N HN 0.279 nan 8.380 nan 0.000 0.426 24 L N 0.654 121.749 121.223 -0.213 0.000 2.093 24 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 24 L C 2.400 179.202 176.870 -0.114 0.000 1.085 24 L CA 1.423 56.141 54.840 -0.203 0.000 0.755 24 L CB -0.880 41.001 42.059 -0.295 0.000 0.904 24 L HN 0.304 nan 8.230 nan 0.000 0.435 25 T N -2.871 111.623 114.554 -0.101 0.000 2.951 25 T HA -0.040 4.310 4.350 -0.001 0.000 0.268 25 T C 1.875 176.544 174.700 -0.052 0.000 1.073 25 T CA 0.787 62.847 62.100 -0.068 0.000 1.134 25 T CB -0.222 68.606 68.868 -0.066 0.000 0.884 25 T HN 0.281 nan 8.240 nan 0.000 0.479 26 A N 1.078 123.867 122.820 -0.052 0.000 2.119 26 A HA 0.352 4.671 4.320 -0.001 0.000 0.217 26 A C 2.177 179.744 177.584 -0.030 0.000 1.153 26 A CA 0.594 52.610 52.037 -0.035 0.000 0.692 26 A CB -0.684 18.299 19.000 -0.028 0.000 0.799 26 A HN 0.564 nan 8.150 nan 0.000 0.458 27 L N -1.567 119.633 121.223 -0.038 0.000 2.591 27 L HA 0.213 4.553 4.340 -0.001 0.000 0.228 27 L C 1.631 178.483 176.870 -0.030 0.000 1.133 27 L CA 0.606 55.427 54.840 -0.031 0.000 0.880 27 L CB 0.094 42.131 42.059 -0.037 0.000 1.033 27 L HN 0.558 nan 8.230 nan 0.000 0.450 28 G N -0.210 108.571 108.800 -0.032 0.000 2.176 28 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.232 28 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.232 28 G C -0.059 174.823 174.900 -0.030 0.000 0.986 28 G CA -0.405 44.678 45.100 -0.027 0.000 0.643 28 G HN 0.108 nan 8.290 nan 0.000 0.522 29 L N 1.172 122.371 121.223 -0.040 0.000 2.421 29 L HA 0.536 4.876 4.340 -0.001 0.000 0.263 29 L C 0.454 177.307 176.870 -0.028 0.000 1.122 29 L CA -0.660 54.156 54.840 -0.039 0.000 0.804 29 L CB 0.679 42.702 42.059 -0.060 0.000 1.150 29 L HN 0.124 nan 8.230 nan 0.000 0.457 30 N N 1.760 120.450 118.700 -0.017 0.000 2.405 30 N HA 0.499 5.239 4.740 -0.001 0.000 0.299 30 N C -1.076 174.449 175.510 0.024 0.000 1.075 30 N CA -0.522 52.525 53.050 -0.005 0.000 0.884 30 N CB 1.828 40.311 38.487 -0.007 0.000 1.194 30 N HN 0.346 nan 8.380 nan 0.000 0.491 31 L N 1.312 122.560 121.223 0.042 0.000 2.312 31 L HA 0.564 4.904 4.340 -0.001 0.000 0.281 31 L C -0.185 176.740 176.870 0.091 0.000 1.070 31 L CA -0.845 54.068 54.840 0.121 0.000 0.805 31 L CB 1.173 43.263 42.059 0.052 0.000 1.174 31 L HN 0.039 nan 8.230 nan 0.000 0.434 32 V N 1.892 121.892 119.914 0.143 0.000 2.709 32 V HA 0.949 5.068 4.120 -0.001 0.000 0.308 32 V C -0.085 176.090 176.094 0.135 0.000 1.062 32 V CA -0.368 61.979 62.300 0.079 0.000 0.901 32 V CB 1.588 33.418 31.823 0.012 0.000 1.003 32 V HN 1.006 nan 8.190 nan 0.000 0.425 33 A N 3.229 126.098 122.820 0.081 0.000 2.467 33 A HA 0.974 5.294 4.320 -0.001 0.000 0.301 33 A C -0.813 176.794 177.584 0.038 0.000 1.126 33 A CA -0.444 51.645 52.037 0.086 0.000 0.632 33 A CB 1.758 20.822 19.000 0.107 0.000 1.331 33 A HN 0.765 nan 8.150 nan 0.000 0.482 34 S N -1.992 113.730 115.700 0.036 0.000 2.688 34 S HA 0.781 5.251 4.470 -0.001 0.000 0.275 34 S C 0.501 175.114 174.600 0.022 0.000 1.175 34 S CA 0.590 58.804 58.200 0.022 0.000 0.818 34 S CB 0.961 64.173 63.200 0.020 0.000 1.157 34 S HN 2.762 nan 8.310 nan 0.000 0.482 35 G N 1.237 110.046 108.800 0.016 0.000 2.602 35 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.306 35 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.306 35 G C 1.122 176.028 174.900 0.009 0.000 1.301 35 G CA 0.752 45.861 45.100 0.013 0.000 0.974 35 G HN 1.590 nan 8.290 nan 0.000 0.547 36 G N -1.663 107.142 108.800 0.008 0.000 2.448 36 G HA2 0.051 4.011 3.960 -0.001 0.000 0.219 36 G HA3 0.051 4.011 3.960 -0.001 0.000 0.219 36 G C 1.813 176.717 174.900 0.007 0.000 1.127 36 G CA 2.316 47.418 45.100 0.004 0.000 0.766 36 G HN 0.967 nan 8.290 nan 0.000 0.552 37 T N 1.408 115.974 114.554 0.019 0.000 2.770 37 T HA 0.097 4.447 4.350 -0.001 0.000 0.263 37 T C 2.862 177.557 174.700 -0.008 0.000 1.039 37 T CA 1.306 63.419 62.100 0.022 0.000 1.142 37 T CB -0.327 68.581 68.868 0.066 0.000 0.868 37 T HN 0.352 nan 8.240 nan 0.000 0.435 38 A N 1.747 124.568 122.820 0.000 0.000 1.908 38 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 38 A C 2.228 179.795 177.584 -0.028 0.000 1.181 38 A CA 1.936 53.964 52.037 -0.016 0.000 0.627 38 A CB -0.551 18.448 19.000 -0.002 0.000 0.818 38 A HN 0.455 nan 8.150 nan 0.000 0.445 39 K N -0.361 120.029 120.400 -0.018 0.000 2.057 39 K HA -0.106 4.214 4.320 -0.001 0.000 0.207 39 K C 2.180 178.763 176.600 -0.027 0.000 1.049 39 K CA 1.240 57.515 56.287 -0.019 0.000 0.931 39 K CB -0.338 32.154 32.500 -0.012 0.000 0.714 39 K HN 0.369 nan 8.250 nan 0.000 0.440 40 A N 1.462 124.266 122.820 -0.028 0.000 1.902 40 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 40 A C 2.144 179.694 177.584 -0.057 0.000 1.181 40 A CA 1.304 53.321 52.037 -0.033 0.000 0.623 40 A CB -0.601 18.384 19.000 -0.025 0.000 0.818 40 A HN 0.317 nan 8.150 nan 0.000 0.443 41 L N -1.285 119.889 121.223 -0.082 0.000 2.017 41 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 41 L C 2.920 179.740 176.870 -0.084 0.000 1.073 41 L CA 1.625 56.394 54.840 -0.118 0.000 0.745 41 L CB -0.486 41.473 42.059 -0.167 0.000 0.894 41 L HN 0.357 nan 8.230 nan 0.000 0.432 42 R N -0.181 120.283 120.500 -0.061 0.000 2.092 42 R HA -0.137 4.203 4.340 -0.001 0.000 0.231 42 R C 1.852 178.130 176.300 -0.038 0.000 1.119 42 R CA 1.351 57.424 56.100 -0.046 0.000 0.970 42 R CB -0.274 30.005 30.300 -0.034 0.000 0.864 42 R HN 0.362 nan 8.270 nan 0.000 0.440 43 D N 0.435 120.814 120.400 -0.034 0.000 2.264 43 D HA -0.092 4.548 4.640 -0.001 0.000 0.208 43 D C 1.359 177.641 176.300 -0.030 0.000 0.966 43 D CA 1.064 55.048 54.000 -0.027 0.000 0.864 43 D CB 0.022 40.809 40.800 -0.022 0.000 0.933 43 D HN 0.239 nan 8.370 nan 0.000 0.499 44 A N -0.270 122.526 122.820 -0.039 0.000 2.238 44 A HA 0.398 4.718 4.320 -0.001 0.000 0.208 44 A C 1.725 179.284 177.584 -0.042 0.000 1.177 44 A CA 0.985 52.998 52.037 -0.040 0.000 0.804 44 A CB -0.106 18.863 19.000 -0.052 0.000 0.823 44 A HN 0.231 nan 8.150 nan 0.000 0.482 45 G N -1.391 107.384 108.800 -0.041 0.000 2.132 45 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.234 45 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.234 45 G C -0.024 174.848 174.900 -0.047 0.000 0.989 45 G CA 0.227 45.303 45.100 -0.039 0.000 0.676 45 G HN 0.410 nan 8.290 nan 0.000 0.522 46 L N 0.630 121.816 121.223 -0.062 0.000 2.343 46 L HA 0.742 5.082 4.340 -0.001 0.000 0.275 46 L C 1.027 177.858 176.870 -0.065 0.000 1.056 46 L CA -0.560 54.235 54.840 -0.074 0.000 0.804 46 L CB 1.686 43.677 42.059 -0.112 0.000 1.203 46 L HN 0.286 nan 8.230 nan 0.000 0.440 47 A N 3.278 126.063 122.820 -0.057 0.000 2.409 47 A HA 0.607 4.926 4.320 -0.001 0.000 0.267 47 A C -0.489 177.067 177.584 -0.047 0.000 1.127 47 A CA -0.190 51.820 52.037 -0.044 0.000 0.795 47 A CB 0.333 19.312 19.000 -0.035 0.000 1.061 47 A HN 0.429 nan 8.150 nan 0.000 0.502 48 V N 3.609 123.500 119.914 -0.037 0.000 2.932 48 V HA 0.450 4.570 4.120 -0.001 0.000 0.307 48 V C -0.225 175.860 176.094 -0.015 0.000 1.147 48 V CA -0.774 61.509 62.300 -0.029 0.000 0.951 48 V CB 2.215 34.012 31.823 -0.044 0.000 1.031 48 V HN 0.994 nan 8.190 nan 0.000 0.426 49 R N 1.270 121.768 120.500 -0.004 0.000 2.460 49 R HA 0.464 4.804 4.340 -0.001 0.000 0.303 49 R C -0.863 175.437 176.300 -0.001 0.000 0.968 49 R CA -0.756 55.342 56.100 -0.004 0.000 0.889 49 R CB 2.035 32.332 30.300 -0.005 0.000 1.123 49 R HN 0.864 nan 8.270 nan 0.000 0.455 50 D N 0.664 121.061 120.400 -0.004 0.000 2.382 50 D HA -0.024 4.615 4.640 -0.001 0.000 0.240 50 D C 1.154 177.447 176.300 -0.011 0.000 1.146 50 D CA -0.113 53.886 54.000 -0.003 0.000 0.897 50 D CB 1.210 42.008 40.800 -0.002 0.000 1.197 50 D HN 0.141 nan 8.370 nan 0.000 0.432 51 V N 2.145 122.051 119.914 -0.013 0.000 2.688 51 V HA -0.217 3.903 4.120 -0.001 0.000 0.256 51 V C 2.171 178.236 176.094 -0.048 0.000 1.084 51 V CA 1.761 64.040 62.300 -0.036 0.000 1.103 51 V CB -0.514 31.289 31.823 -0.034 0.000 0.688 51 V HN 0.569 nan 8.190 nan 0.000 0.480 52 S N -0.094 115.592 115.700 -0.023 0.000 2.399 52 S HA -0.215 4.254 4.470 -0.001 0.000 0.231 52 S C 1.735 176.316 174.600 -0.032 0.000 1.022 52 S CA 1.342 59.531 58.200 -0.019 0.000 0.983 52 S CB -0.289 62.910 63.200 -0.001 0.000 0.803 52 S HN 0.742 nan 8.310 nan 0.000 0.480 53 E N 0.411 120.595 120.200 -0.026 0.000 2.516 53 E HA 0.066 4.415 4.350 -0.001 0.000 0.199 53 E C 1.394 177.979 176.600 -0.025 0.000 1.069 53 E CA 0.356 56.745 56.400 -0.019 0.000 0.876 53 E CB -0.041 29.652 29.700 -0.011 0.000 0.843 53 E HN 0.458 nan 8.360 nan 0.000 0.530 54 L N -0.338 120.850 121.223 -0.057 0.000 2.445 54 L HA -0.002 4.338 4.340 -0.001 0.000 0.207 54 L C 2.633 179.427 176.870 -0.126 0.000 1.053 54 L CA 1.114 55.908 54.840 -0.076 0.000 0.841 54 L CB -0.044 41.946 42.059 -0.115 0.000 1.074 54 L HN 0.191 nan 8.230 nan 0.000 0.479 55 T N -3.484 110.935 114.554 -0.225 0.000 2.937 55 T HA 0.063 4.413 4.350 -0.001 0.000 0.260 55 T C 1.594 176.153 174.700 -0.235 0.000 1.051 55 T CA 0.886 62.679 62.100 -0.510 0.000 1.141 55 T CB 0.122 68.538 68.868 -0.753 0.000 0.879 55 T HN 0.404 nan 8.240 nan 0.000 0.459 56 G N 0.951 109.705 108.800 -0.077 0.000 2.168 56 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.263 56 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.263 56 G C -0.094 174.834 174.900 0.046 0.000 0.977 56 G CA 0.196 45.300 45.100 0.007 0.000 0.659 56 G HN 0.679 nan 8.290 nan 0.000 0.533 57 F N 3.175 123.055 119.950 -0.117 0.000 2.399 57 F HA 0.585 5.112 4.527 -0.001 0.000 0.342 57 F C -0.927 174.865 175.800 -0.013 0.000 1.106 57 F CA -1.944 56.036 58.000 -0.032 0.000 1.196 57 F CB 0.930 39.923 39.000 -0.012 0.000 1.163 57 F HN 0.034 nan 8.300 nan 0.000 0.547 58 P HA 0.096 nan 4.420 nan 0.000 0.277 58 P C -1.172 176.036 177.300 -0.153 0.000 1.240 58 P CA -0.365 62.509 63.100 -0.377 0.000 0.798 58 P CB 0.963 32.395 31.700 -0.447 0.000 0.979 59 E N 2.388 122.567 120.200 -0.036 0.000 2.413 59 E HA 0.324 4.674 4.350 -0.001 0.000 0.263 59 E C -0.020 176.609 176.600 0.048 0.000 1.015 59 E CA 0.240 56.666 56.400 0.043 0.000 0.916 59 E CB 0.065 29.778 29.700 0.022 0.000 0.947 59 E HN 0.541 nan 8.360 nan 0.000 0.440 60 M N 1.568 121.229 119.600 0.101 0.000 2.853 60 M HA 0.278 4.757 4.480 -0.001 0.000 0.273 60 M C -1.258 175.102 176.300 0.099 0.000 1.128 60 M CA -0.979 54.380 55.300 0.098 0.000 0.814 60 M CB 0.754 33.440 32.600 0.143 0.000 1.667 60 M HN 0.240 nan 8.290 nan 0.000 0.519 61 L N 1.743 123.013 121.223 0.078 0.000 3.742 61 L HA -0.128 4.211 4.340 -0.001 0.000 0.431 61 L C 1.123 178.029 176.870 0.061 0.000 1.220 61 L CA 2.021 56.902 54.840 0.068 0.000 0.863 61 L CB -2.238 39.867 42.059 0.077 0.000 1.751 61 L HN 1.348 nan 8.230 nan 0.000 0.922 62 G N -1.157 107.674 108.800 0.052 0.000 2.296 62 G HA2 0.083 4.043 3.960 -0.001 0.000 0.282 62 G HA3 0.083 4.043 3.960 -0.001 0.000 0.282 62 G C 1.510 176.439 174.900 0.048 0.000 1.014 62 G CA 0.951 46.078 45.100 0.044 0.000 0.812 62 G HN 2.108 nan 8.290 nan 0.000 0.508 63 G N -1.420 107.416 108.800 0.061 0.000 2.143 63 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.249 63 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.249 63 G C 1.059 175.995 174.900 0.060 0.000 0.981 63 G CA 1.146 46.284 45.100 0.062 0.000 0.665 63 G HN 0.947 nan 8.290 nan 0.000 0.528 64 R N -0.342 120.196 120.500 0.062 0.000 2.241 64 R HA 0.146 4.486 4.340 -0.001 0.000 0.224 64 R C 2.233 178.564 176.300 0.052 0.000 1.101 64 R CA 1.620 57.754 56.100 0.057 0.000 0.995 64 R CB -0.015 30.321 30.300 0.059 0.000 0.870 64 R HN 1.009 nan 8.270 nan 0.000 0.463 65 V N -2.085 117.862 119.914 0.055 0.000 3.252 65 V HA 0.131 4.250 4.120 -0.001 0.000 0.320 65 V C 1.379 177.481 176.094 0.014 0.000 1.459 65 V CA -0.397 61.919 62.300 0.026 0.000 1.095 65 V CB 0.450 32.274 31.823 0.001 0.000 0.997 65 V HN 0.141 nan 8.190 nan 0.000 0.469 66 K N 1.697 122.127 120.400 0.050 0.000 2.280 66 K HA -0.116 4.204 4.320 -0.001 0.000 0.202 66 K C 1.525 178.133 176.600 0.013 0.000 1.047 66 K CA 2.015 58.333 56.287 0.051 0.000 0.942 66 K CB -0.522 32.018 32.500 0.066 0.000 0.739 66 K HN 0.654 nan 8.250 nan 0.000 0.457 67 T N -1.448 113.116 114.554 0.017 0.000 3.069 67 T HA 0.233 4.582 4.350 -0.001 0.000 0.252 67 T C 0.871 175.614 174.700 0.071 0.000 1.053 67 T CA -0.456 61.645 62.100 0.002 0.000 0.964 67 T CB -0.021 68.842 68.868 -0.008 0.000 1.005 67 T HN 0.106 nan 8.240 nan 0.000 0.532 68 L N 2.958 124.228 121.223 0.079 0.000 2.536 68 L HA 0.412 4.752 4.340 -0.001 0.000 0.242 68 L C 0.098 177.001 176.870 0.054 0.000 1.280 68 L CA -0.407 54.497 54.840 0.107 0.000 1.221 68 L CB -0.417 41.652 42.059 0.016 0.000 1.449 68 L HN 0.404 nan 8.230 nan 0.000 0.405 69 H N 0.735 119.805 119.070 -0.000 0.000 2.851 69 H HA 0.283 4.839 4.556 -0.001 0.000 0.372 69 H C -2.346 172.952 175.328 -0.050 0.000 1.158 69 H CA -1.651 54.345 56.048 -0.086 0.000 1.159 69 H CB 3.045 32.715 29.762 -0.154 0.000 1.757 69 H HN -0.072 nan 8.280 nan 0.000 0.546 70 P HA -0.115 nan 4.420 nan 0.000 0.216 70 P C 1.132 178.263 177.300 -0.282 0.000 1.150 70 P CA 2.205 65.239 63.100 -0.110 0.000 0.837 70 P CB 0.065 31.740 31.700 -0.041 0.000 0.786 71 A N -0.868 121.739 122.820 -0.354 0.000 1.978 71 A HA -0.165 4.155 4.320 -0.001 0.000 0.220 71 A C 2.290 179.531 177.584 -0.572 0.000 1.170 71 A CA 1.837 53.189 52.037 -1.142 0.000 0.636 71 A CB -1.585 17.029 19.000 -0.644 0.000 0.810 71 A HN 0.063 nan 8.150 nan 0.000 0.448 72 V N -0.968 118.768 119.914 -0.297 0.000 2.273 72 V HA -0.139 3.981 4.120 -0.001 0.000 0.242 72 V C 2.379 178.246 176.094 -0.378 0.000 1.035 72 V CA 1.720 63.820 62.300 -0.334 0.000 1.013 72 V CB -0.929 30.674 31.823 -0.366 0.000 0.652 72 V HN 0.642 nan 8.190 nan 0.000 0.452 73 H N 0.160 119.168 119.070 -0.103 0.000 2.423 73 H HA 0.028 4.584 4.556 -0.001 0.000 0.297 73 H C 2.309 177.605 175.328 -0.054 0.000 1.075 73 H CA 1.525 57.531 56.048 -0.069 0.000 1.342 73 H CB -0.222 29.509 29.762 -0.052 0.000 1.395 73 H HN 0.448 nan 8.280 nan 0.000 0.530 74 A N 0.772 123.597 122.820 0.008 0.000 1.930 74 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 74 A C 2.818 180.412 177.584 0.018 0.000 1.175 74 A CA 1.329 53.401 52.037 0.059 0.000 0.627 74 A CB -0.992 18.118 19.000 0.184 0.000 0.815 74 A HN 0.442 nan 8.150 nan 0.000 0.443 75 G N 0.070 108.822 108.800 -0.080 0.000 2.442 75 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.219 75 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.219 75 G C 1.489 176.358 174.900 -0.051 0.000 1.141 75 G CA 1.233 46.292 45.100 -0.069 0.000 0.763 75 G HN 0.495 nan 8.290 nan 0.000 0.554 76 I N -0.240 120.292 120.570 -0.064 0.000 2.400 76 I HA 0.062 4.232 4.170 -0.001 0.000 0.248 76 I C 2.316 178.436 176.117 0.006 0.000 1.109 76 I CA 0.571 61.847 61.300 -0.039 0.000 1.425 76 I CB -0.017 37.953 38.000 -0.050 0.000 1.094 76 I HN 0.085 nan 8.210 nan 0.000 0.425 77 L N 0.630 121.874 121.223 0.034 0.000 2.529 77 L HA 0.225 4.565 4.340 -0.001 0.000 0.223 77 L C 1.289 178.180 176.870 0.035 0.000 1.113 77 L CA -0.389 54.477 54.840 0.044 0.000 0.861 77 L CB -0.246 41.852 42.059 0.065 0.000 1.012 77 L HN 0.076 nan 8.230 nan 0.000 0.461 78 A N 0.958 123.801 122.820 0.038 0.000 2.498 78 A HA 0.314 4.633 4.320 -0.001 0.000 0.239 78 A C 0.250 177.846 177.584 0.021 0.000 1.068 78 A CA 0.056 52.116 52.037 0.038 0.000 0.766 78 A CB 0.120 19.151 19.000 0.052 0.000 1.003 78 A HN 0.283 nan 8.150 nan 0.000 0.497 79 R N 0.869 121.379 120.500 0.016 0.000 2.596 79 R HA 0.262 4.602 4.340 -0.001 0.000 0.267 79 R C -0.129 176.175 176.300 0.006 0.000 1.026 79 R CA -0.779 55.324 56.100 0.005 0.000 1.087 79 R CB 0.562 30.862 30.300 0.000 0.000 1.132 79 R HN 0.740 nan 8.270 nan 0.000 0.531 80 N N 2.504 121.205 118.700 0.001 0.000 3.245 80 N HA 0.131 4.871 4.740 -0.001 0.000 0.296 80 N C -1.054 174.457 175.510 0.002 0.000 1.254 80 N CA -0.172 52.879 53.050 0.002 0.000 1.190 80 N CB -0.370 38.117 38.487 -0.000 0.000 1.460 80 N HN 0.469 nan 8.380 nan 0.000 0.538 81 I N -2.452 118.121 120.570 0.004 0.000 2.865 81 I HA 0.558 4.728 4.170 -0.001 0.000 0.302 81 I C -2.127 173.993 176.117 0.005 0.000 1.140 81 I CA -2.503 58.799 61.300 0.003 0.000 1.021 81 I CB 2.160 40.162 38.000 0.002 0.000 1.233 81 I HN -0.152 nan 8.210 nan 0.000 0.427 82 P HA -0.200 nan 4.420 nan 0.000 0.216 82 P C 0.966 178.268 177.300 0.003 0.000 1.167 82 P CA 1.936 65.037 63.100 0.002 0.000 0.914 82 P CB 0.164 31.864 31.700 0.001 0.000 0.793 83 E N -0.568 119.634 120.200 0.003 0.000 2.070 83 E HA -0.209 4.140 4.350 -0.001 0.000 0.197 83 E C 1.784 178.388 176.600 0.007 0.000 1.004 83 E CA 1.718 58.120 56.400 0.003 0.000 0.805 83 E CB -1.009 28.693 29.700 0.004 0.000 0.744 83 E HN 0.325 nan 8.360 nan 0.000 0.451 84 D N -0.100 120.307 120.400 0.011 0.000 2.117 84 D HA -0.081 4.559 4.640 -0.001 0.000 0.198 84 D C 1.527 177.839 176.300 0.021 0.000 0.982 84 D CA 0.713 54.724 54.000 0.020 0.000 0.828 84 D CB -0.290 40.524 40.800 0.023 0.000 0.967 84 D HN 0.084 nan 8.370 nan 0.000 0.464 85 N N 0.468 119.177 118.700 0.014 0.000 2.166 85 N HA -0.100 4.639 4.740 -0.001 0.000 0.186 85 N C 1.638 177.151 175.510 0.005 0.000 1.019 85 N CA 1.161 54.219 53.050 0.013 0.000 0.856 85 N CB -0.228 38.265 38.487 0.009 0.000 0.993 85 N HN 0.142 nan 8.380 nan 0.000 0.426 86 A N 0.962 123.782 122.820 -0.000 0.000 1.929 86 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 86 A C 1.828 179.401 177.584 -0.020 0.000 1.176 86 A CA 1.209 53.240 52.037 -0.010 0.000 0.628 86 A CB -0.205 18.789 19.000 -0.010 0.000 0.816 86 A HN 0.092 nan 8.150 nan 0.000 0.444 87 D N -0.305 120.089 120.400 -0.011 0.000 2.097 87 D HA -0.128 4.512 4.640 -0.001 0.000 0.195 87 D C 2.009 178.283 176.300 -0.042 0.000 0.989 87 D CA 1.254 55.241 54.000 -0.021 0.000 0.827 87 D CB -0.248 40.557 40.800 0.008 0.000 0.966 87 D HN 0.262 nan 8.370 nan 0.000 0.456 88 M N 0.629 120.231 119.600 0.004 0.000 2.132 88 M HA -0.046 4.434 4.480 -0.001 0.000 0.263 88 M C 2.343 178.622 176.300 -0.035 0.000 1.065 88 M CA 0.712 56.027 55.300 0.025 0.000 1.122 88 M CB -1.158 31.494 32.600 0.087 0.000 1.365 88 M HN -0.067 nan 8.290 nan 0.000 0.411 89 A N 0.259 123.063 122.820 -0.028 0.000 1.898 89 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 89 A C 2.383 179.923 177.584 -0.074 0.000 1.181 89 A CA 1.735 53.751 52.037 -0.035 0.000 0.620 89 A CB -0.748 18.240 19.000 -0.020 0.000 0.819 89 A HN 0.493 nan 8.150 nan 0.000 0.442 90 R N -0.269 120.180 120.500 -0.085 0.000 2.120 90 R HA -0.042 4.298 4.340 -0.001 0.000 0.234 90 R C 1.322 177.516 176.300 -0.176 0.000 1.123 90 R CA 1.596 57.634 56.100 -0.103 0.000 0.975 90 R CB -0.293 29.958 30.300 -0.083 0.000 0.866 90 R HN 0.514 nan 8.270 nan 0.000 0.446 91 L N -0.084 120.957 121.223 -0.304 0.000 2.585 91 L HA 0.104 4.444 4.340 -0.001 0.000 0.226 91 L C 0.005 176.550 176.870 -0.542 0.000 1.113 91 L CA 0.346 54.844 54.840 -0.569 0.000 0.876 91 L CB 0.108 41.497 42.059 -1.116 0.000 1.072 91 L HN 0.222 nan 8.230 nan 0.000 0.468 92 D N -0.617 119.623 120.400 -0.266 0.000 2.775 92 D HA -0.221 4.419 4.640 -0.001 0.000 0.235 92 D C -0.608 175.751 176.300 0.098 0.000 1.120 92 D CA 0.280 54.234 54.000 -0.076 0.000 0.708 92 D CB -0.593 40.183 40.800 -0.040 0.000 1.084 92 D HN -0.040 nan 8.370 nan 0.000 0.434 93 F N 0.889 120.851 119.950 0.020 0.000 2.420 93 F HA 0.451 4.978 4.527 -0.001 0.000 0.342 93 F C 1.055 176.860 175.800 0.008 0.000 1.113 93 F CA -1.368 56.644 58.000 0.019 0.000 1.059 93 F CB 1.039 40.055 39.000 0.027 0.000 1.128 93 F HN -0.054 nan 8.300 nan 0.000 0.475 94 N N 2.554 121.368 118.700 0.189 0.000 2.495 94 N HA 0.368 5.108 4.740 -0.001 0.000 0.280 94 N C -0.868 174.672 175.510 0.050 0.000 1.168 94 N CA -0.315 52.787 53.050 0.087 0.000 0.978 94 N CB 1.016 39.531 38.487 0.046 0.000 1.191 94 N HN 0.516 nan 8.380 nan 0.000 0.497 95 L N 2.414 123.654 121.223 0.028 0.000 2.371 95 L HA 0.381 4.721 4.340 -0.001 0.000 0.272 95 L C 0.364 177.218 176.870 -0.025 0.000 1.124 95 L CA -0.438 54.406 54.840 0.005 0.000 0.816 95 L CB 0.798 42.861 42.059 0.007 0.000 1.129 95 L HN 0.397 nan 8.230 nan 0.000 0.448 96 I N 3.062 123.604 120.570 -0.047 0.000 2.304 96 I HA 0.197 4.367 4.170 -0.001 0.000 0.291 96 I C 1.025 177.101 176.117 -0.067 0.000 1.018 96 I CA -0.078 61.178 61.300 -0.075 0.000 1.260 96 I CB 1.505 39.440 38.000 -0.108 0.000 1.390 96 I HN 0.649 nan 8.210 nan 0.000 0.475 97 R N 4.749 125.207 120.500 -0.070 0.000 2.189 97 R HA 0.240 4.579 4.340 -0.001 0.000 0.203 97 R C -0.342 175.918 176.300 -0.067 0.000 1.012 97 R CA 0.644 56.710 56.100 -0.056 0.000 1.015 97 R CB 0.590 30.863 30.300 -0.045 0.000 0.938 97 R HN 0.475 nan 8.270 nan 0.000 0.472 98 V N 1.041 120.885 119.914 -0.115 0.000 2.709 98 V HA 0.416 4.535 4.120 -0.001 0.000 0.308 98 V C -1.071 174.891 176.094 -0.219 0.000 1.062 98 V CA -0.909 61.311 62.300 -0.133 0.000 0.901 98 V CB 2.158 33.881 31.823 -0.166 0.000 1.003 98 V HN -0.212 nan 8.190 nan 0.000 0.425 99 V N 3.290 123.104 119.914 -0.166 0.000 2.482 99 V HA 0.764 4.883 4.120 -0.001 0.000 0.295 99 V C 0.115 176.126 176.094 -0.137 0.000 1.026 99 V CA -0.510 61.669 62.300 -0.201 0.000 0.856 99 V CB 1.739 33.479 31.823 -0.137 0.000 1.001 99 V HN 1.011 nan 8.190 nan 0.000 0.424 100 A N 3.925 126.630 122.820 -0.191 0.000 2.258 100 A HA 0.798 5.118 4.320 -0.001 0.000 0.316 100 A C -0.486 177.128 177.584 0.050 0.000 1.279 100 A CA -0.406 51.655 52.037 0.040 0.000 0.876 100 A CB 0.972 20.112 19.000 0.233 0.000 1.170 100 A HN 1.115 nan 8.150 nan 0.000 0.520 101 C N 3.750 123.066 119.300 0.026 0.000 3.006 101 C HA 0.799 5.258 4.460 -0.001 0.000 0.359 101 C C -1.611 173.346 174.990 -0.055 0.000 1.103 101 C CA -0.586 58.434 59.018 0.004 0.000 1.286 101 C CB 1.084 28.803 27.740 -0.035 0.000 1.694 101 C HN 1.194 nan 8.230 nan 0.000 0.511 102 N N 4.134 122.830 118.700 -0.007 0.000 2.331 102 N HA 0.729 5.469 4.740 -0.001 0.000 0.280 102 N C -1.714 173.864 175.510 0.114 0.000 1.155 102 N CA -0.827 52.222 53.050 -0.002 0.000 0.822 102 N CB 0.874 39.342 38.487 -0.033 0.000 1.619 102 N HN 0.643 nan 8.380 nan 0.000 0.476 103 L N 0.449 121.809 121.223 0.230 0.000 2.334 103 L HA 0.467 4.807 4.340 -0.001 0.000 0.275 103 L C -0.427 176.534 176.870 0.152 0.000 1.036 103 L CA -1.263 53.622 54.840 0.074 0.000 0.807 103 L CB 0.677 42.583 42.059 -0.256 0.000 1.231 103 L HN 0.599 nan 8.230 nan 0.000 0.438 104 Y N 3.362 123.701 120.300 0.064 0.000 2.526 104 Y HA 0.179 4.729 4.550 -0.001 0.000 0.330 104 Y C -2.011 173.993 175.900 0.173 0.000 1.156 104 Y CA -2.133 56.029 58.100 0.103 0.000 1.419 104 Y CB 0.427 38.947 38.460 0.101 0.000 1.250 104 Y HN 0.345 nan 8.280 nan 0.000 0.540 105 P HA -0.091 nan 4.420 nan 0.000 0.261 105 P C 0.198 177.423 177.300 -0.126 0.000 1.183 105 P CA 0.465 63.457 63.100 -0.180 0.000 0.761 105 P CB 0.189 31.717 31.700 -0.287 0.000 0.785 106 F N 5.060 124.963 119.950 -0.078 0.000 2.293 106 F HA -0.173 4.354 4.527 -0.001 0.000 0.300 106 F C 1.872 177.555 175.800 -0.196 0.000 1.086 106 F CA 1.317 59.234 58.000 -0.137 0.000 1.375 106 F CB -0.505 38.309 39.000 -0.310 0.000 1.045 106 F HN 0.139 nan 8.300 nan 0.000 0.516 107 V N -1.783 118.017 119.914 -0.190 0.000 2.490 107 V HA -0.247 3.872 4.120 -0.001 0.000 0.250 107 V C 2.150 178.077 176.094 -0.279 0.000 1.061 107 V CA 1.943 64.096 62.300 -0.246 0.000 1.064 107 V CB -1.006 30.740 31.823 -0.129 0.000 0.670 107 V HN 0.273 nan 8.190 nan 0.000 0.461 108 K N 0.412 120.634 120.400 -0.297 0.000 2.103 108 K HA -0.044 4.276 4.320 -0.001 0.000 0.204 108 K C 2.324 178.849 176.600 -0.125 0.000 1.052 108 K CA 1.629 57.772 56.287 -0.241 0.000 0.945 108 K CB -0.475 31.766 32.500 -0.432 0.000 0.722 108 K HN 0.541 nan 8.250 nan 0.000 0.443 109 T N 1.359 115.820 114.554 -0.155 0.000 2.684 109 T HA -0.120 4.229 4.350 -0.001 0.000 0.267 109 T C 2.019 176.565 174.700 -0.258 0.000 1.036 109 T CA 1.314 63.366 62.100 -0.080 0.000 1.148 109 T CB -0.194 68.577 68.868 -0.161 0.000 0.863 109 T HN -0.057 nan 8.240 nan 0.000 0.436 110 V N 1.544 121.153 119.914 -0.510 0.000 2.490 110 V HA -0.105 4.015 4.120 -0.001 0.000 0.250 110 V C 2.733 178.708 176.094 -0.199 0.000 1.061 110 V CA 1.533 63.572 62.300 -0.434 0.000 1.064 110 V CB -1.018 30.431 31.823 -0.622 0.000 0.670 110 V HN 0.529 nan 8.190 nan 0.000 0.461 111 A N -1.043 121.680 122.820 -0.162 0.000 2.119 111 A HA 0.007 4.326 4.320 -0.001 0.000 0.216 111 A C 1.585 179.140 177.584 -0.048 0.000 1.152 111 A CA 0.628 52.614 52.037 -0.085 0.000 0.708 111 A CB -0.271 18.683 19.000 -0.077 0.000 0.805 111 A HN 0.404 nan 8.150 nan 0.000 0.460 112 S N 1.244 116.919 115.700 -0.041 0.000 2.546 112 S HA 0.269 4.738 4.470 -0.001 0.000 0.290 112 S C -2.519 172.072 174.600 -0.014 0.000 1.290 112 S CA -1.068 57.126 58.200 -0.011 0.000 1.069 112 S CB 0.096 63.298 63.200 0.004 0.000 0.846 112 S HN 0.190 nan 8.310 nan 0.000 0.495 113 P HA 0.126 nan 4.420 nan 0.000 0.258 113 P C 0.862 178.160 177.300 -0.003 0.000 1.172 113 P CA 1.131 64.229 63.100 -0.004 0.000 0.762 113 P CB 0.074 31.773 31.700 -0.001 0.000 0.764 114 G N 2.036 110.835 108.800 -0.003 0.000 2.212 114 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.266 114 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.266 114 G C 0.333 175.235 174.900 0.003 0.000 0.978 114 G CA 0.035 45.136 45.100 0.001 0.000 0.632 114 G HN 0.682 nan 8.290 nan 0.000 0.537 115 V N 2.938 122.851 119.914 -0.002 0.000 2.557 115 V HA 0.485 4.605 4.120 -0.001 0.000 0.301 115 V C 1.271 177.374 176.094 0.014 0.000 1.026 115 V CA 1.158 63.458 62.300 0.001 0.000 1.137 115 V CB 0.567 32.376 31.823 -0.022 0.000 0.917 115 V HN 1.047 nan 8.190 nan 0.000 0.484 116 T N 3.732 118.302 114.554 0.028 0.000 2.847 116 T HA 0.359 4.709 4.350 -0.001 0.000 0.279 116 T C 1.142 175.886 174.700 0.073 0.000 0.984 116 T CA -0.084 62.040 62.100 0.039 0.000 0.988 116 T CB 1.505 70.394 68.868 0.035 0.000 1.040 116 T HN 0.418 nan 8.240 nan 0.000 0.528 117 V N 0.829 120.789 119.914 0.078 0.000 2.287 117 V HA -0.155 3.965 4.120 -0.001 0.000 0.248 117 V C 2.847 179.031 176.094 0.150 0.000 1.053 117 V CA 2.333 64.708 62.300 0.125 0.000 1.027 117 V CB -1.044 30.773 31.823 -0.011 0.000 0.646 117 V HN 1.051 nan 8.190 nan 0.000 0.447 118 E N -0.130 120.134 120.200 0.107 0.000 2.085 118 E HA -0.257 4.093 4.350 -0.001 0.000 0.194 118 E C 2.234 178.903 176.600 0.116 0.000 0.994 118 E CA 1.567 58.034 56.400 0.111 0.000 0.801 118 E CB -0.047 29.699 29.700 0.077 0.000 0.743 118 E HN 0.709 nan 8.360 nan 0.000 0.453 119 E N -0.202 120.053 120.200 0.092 0.000 2.150 119 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 119 E C 1.952 178.609 176.600 0.095 0.000 0.985 119 E CA 0.712 57.160 56.400 0.080 0.000 0.814 119 E CB -0.041 29.689 29.700 0.050 0.000 0.752 119 E HN 0.288 nan 8.360 nan 0.000 0.466 120 A N 0.926 123.806 122.820 0.099 0.000 1.898 120 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 120 A C 2.477 180.214 177.584 0.255 0.000 1.181 120 A CA 1.003 53.082 52.037 0.069 0.000 0.620 120 A CB -0.576 18.387 19.000 -0.062 0.000 0.819 120 A HN 0.112 nan 8.150 nan 0.000 0.442 121 V N 0.365 120.463 119.914 0.306 0.000 2.407 121 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 121 V C 2.266 178.518 176.094 0.264 0.000 1.055 121 V CA 2.152 64.667 62.300 0.359 0.000 1.049 121 V CB -0.885 31.138 31.823 0.332 0.000 0.662 121 V HN 0.635 nan 8.190 nan 0.000 0.455 122 E N -0.215 120.103 120.200 0.196 0.000 2.265 122 E HA -0.235 4.115 4.350 -0.001 0.000 0.196 122 E C 1.960 178.656 176.600 0.160 0.000 0.996 122 E CA 0.870 57.361 56.400 0.152 0.000 0.832 122 E CB -0.097 29.671 29.700 0.112 0.000 0.756 122 E HN 0.680 nan 8.360 nan 0.000 0.491 123 Q N 0.183 120.103 119.800 0.200 0.000 2.320 123 Q HA 0.139 4.479 4.340 -0.001 0.000 0.201 123 Q C 0.147 176.324 176.000 0.294 0.000 0.910 123 Q CA -0.169 55.764 55.803 0.217 0.000 0.946 123 Q CB 0.363 29.223 28.738 0.203 0.000 1.062 123 Q HN 0.272 nan 8.270 nan 0.000 0.503 124 I N 2.022 122.757 120.570 0.275 0.000 2.683 124 I HA -0.085 4.085 4.170 -0.001 0.000 0.286 124 I C 0.530 176.776 176.117 0.214 0.000 1.175 124 I CA 0.132 61.557 61.300 0.208 0.000 1.429 124 I CB 0.326 38.370 38.000 0.075 0.000 1.371 124 I HN 0.072 nan 8.210 nan 0.000 0.569 125 D N 7.042 127.617 120.400 0.293 0.000 2.351 125 D HA 0.103 4.742 4.640 -0.001 0.000 0.251 125 D C 0.474 176.837 176.300 0.106 0.000 1.137 125 D CA -0.101 53.992 54.000 0.153 0.000 0.879 125 D CB 1.305 42.117 40.800 0.020 0.000 1.181 125 D HN 0.307 nan 8.370 nan 0.000 0.448 126 I N 2.970 123.581 120.570 0.068 0.000 3.366 126 I HA 0.053 4.222 4.170 -0.001 0.000 0.267 126 I C 2.313 178.449 176.117 0.032 0.000 1.149 126 I CA 0.358 61.686 61.300 0.048 0.000 1.436 126 I CB -1.286 36.742 38.000 0.046 0.000 1.379 126 I HN 0.527 nan 8.210 nan 0.000 0.460 127 G N 1.108 109.932 108.800 0.039 0.000 2.402 127 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.216 127 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.216 127 G C 1.660 176.585 174.900 0.041 0.000 1.162 127 G CA 0.930 46.060 45.100 0.050 0.000 0.777 127 G HN 0.455 nan 8.290 nan 0.000 0.539 128 G N 0.483 109.290 108.800 0.012 0.000 2.418 128 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.217 128 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.217 128 G C 1.795 176.678 174.900 -0.029 0.000 1.158 128 G CA 1.221 46.314 45.100 -0.012 0.000 0.771 128 G HN 0.311 nan 8.290 nan 0.000 0.545 129 V N 1.110 120.993 119.914 -0.050 0.000 2.287 129 V HA -0.219 3.901 4.120 -0.001 0.000 0.248 129 V C 3.195 179.288 176.094 -0.002 0.000 1.053 129 V CA 2.460 64.734 62.300 -0.044 0.000 1.027 129 V CB -1.000 30.809 31.823 -0.024 0.000 0.646 129 V HN 0.420 nan 8.190 nan 0.000 0.447 130 T N 0.381 114.946 114.554 0.020 0.000 2.720 130 T HA -0.155 4.195 4.350 -0.001 0.000 0.268 130 T C 1.872 176.641 174.700 0.115 0.000 1.037 130 T CA 1.557 63.678 62.100 0.036 0.000 1.144 130 T CB -0.316 68.549 68.868 -0.004 0.000 0.864 130 T HN 0.304 nan 8.240 nan 0.000 0.444 131 L N 0.263 121.557 121.223 0.118 0.000 2.012 131 L HA -0.084 4.255 4.340 -0.001 0.000 0.210 131 L C 2.560 179.423 176.870 -0.012 0.000 1.073 131 L CA 1.276 56.157 54.840 0.070 0.000 0.748 131 L CB -0.652 41.402 42.059 -0.009 0.000 0.891 131 L HN 0.252 nan 8.230 nan 0.000 0.431 132 L N -0.662 120.528 121.223 -0.055 0.000 2.017 132 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 132 L C 2.918 179.654 176.870 -0.223 0.000 1.073 132 L CA 1.400 56.159 54.840 -0.135 0.000 0.745 132 L CB -0.462 41.521 42.059 -0.126 0.000 0.894 132 L HN 0.222 nan 8.230 nan 0.000 0.432 133 R N -0.321 120.087 120.500 -0.153 0.000 2.075 133 R HA -0.121 4.219 4.340 -0.001 0.000 0.232 133 R C 2.393 178.663 176.300 -0.051 0.000 1.126 133 R CA 1.277 57.283 56.100 -0.157 0.000 0.963 133 R CB -0.498 29.859 30.300 0.095 0.000 0.858 133 R HN 0.357 nan 8.270 nan 0.000 0.435 134 A N 1.458 124.290 122.820 0.020 0.000 1.877 134 A HA -0.089 4.231 4.320 -0.001 0.000 0.216 134 A C 2.407 180.011 177.584 0.034 0.000 1.186 134 A CA 1.651 53.733 52.037 0.074 0.000 0.620 134 A CB -0.652 18.450 19.000 0.170 0.000 0.822 134 A HN 0.382 nan 8.150 nan 0.000 0.443 135 A N -0.170 122.637 122.820 -0.022 0.000 1.902 135 A HA 0.170 4.489 4.320 -0.001 0.000 0.217 135 A C 2.510 180.072 177.584 -0.038 0.000 1.181 135 A CA 2.118 54.132 52.037 -0.038 0.000 0.623 135 A CB -1.032 17.925 19.000 -0.072 0.000 0.818 135 A HN 1.054 nan 8.150 nan 0.000 0.443 136 A N -0.058 122.664 122.820 -0.163 0.000 1.902 136 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 136 A C 2.145 179.827 177.584 0.164 0.000 1.181 136 A CA 2.037 53.942 52.037 -0.220 0.000 0.623 136 A CB -0.496 17.933 19.000 -0.951 0.000 0.818 136 A HN 0.574 nan 8.150 nan 0.000 0.443 137 K N -0.545 119.988 120.400 0.222 0.000 2.103 137 K HA -0.192 4.128 4.320 -0.001 0.000 0.207 137 K C 0.885 177.610 176.600 0.209 0.000 1.048 137 K CA 1.698 58.211 56.287 0.377 0.000 0.930 137 K CB -0.182 32.491 32.500 0.288 0.000 0.716 137 K HN 0.380 nan 8.250 nan 0.000 0.444 138 N N 1.065 119.832 118.700 0.111 0.000 2.455 138 N HA -0.036 4.703 4.740 -0.001 0.000 0.258 138 N C 0.634 176.139 175.510 -0.010 0.000 1.158 138 N CA -0.126 52.932 53.050 0.013 0.000 0.893 138 N CB -0.066 38.431 38.487 0.017 0.000 1.173 138 N HN 0.347 nan 8.380 nan 0.000 0.503 139 H N -1.885 117.209 119.070 0.040 0.000 2.561 139 H HA 0.052 4.608 4.556 -0.001 0.000 0.278 139 H C 1.298 176.642 175.328 0.027 0.000 1.014 139 H CA 0.891 56.955 56.048 0.027 0.000 1.211 139 H CB -0.082 29.703 29.762 0.038 0.000 1.365 139 H HN 0.231 nan 8.280 nan 0.000 0.594 140 A N 1.525 124.159 122.820 -0.309 0.000 2.019 140 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 140 A C 2.552 180.105 177.584 -0.051 0.000 1.164 140 A CA 1.664 53.595 52.037 -0.177 0.000 0.644 140 A CB -0.420 18.476 19.000 -0.172 0.000 0.805 140 A HN 0.508 nan 8.150 nan 0.000 0.449 141 R N -1.898 118.582 120.500 -0.034 0.000 2.320 141 R HA 0.224 4.564 4.340 -0.001 0.000 0.193 141 R C -0.539 175.765 176.300 0.007 0.000 0.885 141 R CA 0.350 56.446 56.100 -0.008 0.000 1.085 141 R CB 0.508 30.800 30.300 -0.013 0.000 1.253 141 R HN 0.175 nan 8.270 nan 0.000 0.636 142 V N 2.228 122.148 119.914 0.011 0.000 2.546 142 V HA 0.252 4.372 4.120 -0.001 0.000 0.284 142 V C -0.172 175.940 176.094 0.030 0.000 1.050 142 V CA -0.147 62.158 62.300 0.010 0.000 0.981 142 V CB 1.550 33.371 31.823 -0.004 0.000 0.990 142 V HN 0.179 nan 8.190 nan 0.000 0.474 143 T N 4.618 119.182 114.554 0.017 0.000 2.733 143 T HA 0.403 4.752 4.350 -0.001 0.000 0.294 143 T C -0.417 174.290 174.700 0.010 0.000 0.956 143 T CA -0.062 62.057 62.100 0.032 0.000 0.987 143 T CB 1.200 70.102 68.868 0.056 0.000 0.920 143 T HN 0.492 nan 8.240 nan 0.000 0.470 144 V N 5.538 125.446 119.914 -0.009 0.000 2.459 144 V HA 0.712 4.831 4.120 -0.001 0.000 0.295 144 V C -0.929 175.137 176.094 -0.047 0.000 1.029 144 V CA -0.460 61.813 62.300 -0.046 0.000 0.874 144 V CB 1.539 33.304 31.823 -0.096 0.000 0.985 144 V HN 0.655 nan 8.190 nan 0.000 0.438 145 V N 6.824 126.720 119.914 -0.031 0.000 2.409 145 V HA 0.250 4.370 4.120 -0.001 0.000 0.290 145 V C 0.608 176.640 176.094 -0.102 0.000 1.017 145 V CA -0.220 62.050 62.300 -0.050 0.000 0.841 145 V CB 1.085 32.932 31.823 0.040 0.000 1.003 145 V HN 1.108 nan 8.190 nan 0.000 0.426 146 C N 0.977 120.146 119.300 -0.218 0.000 3.038 146 C HA 0.424 4.884 4.460 -0.001 0.000 0.279 146 C C 0.402 175.191 174.990 -0.334 0.000 1.276 146 C CA -0.390 58.421 59.018 -0.344 0.000 1.697 146 C CB -0.562 26.804 27.740 -0.624 0.000 2.032 146 C HN 0.738 nan 8.230 nan 0.000 0.636 147 E N 1.862 121.878 120.200 -0.307 0.000 2.207 147 E HA 0.232 4.581 4.350 -0.001 0.000 0.250 147 E C -2.115 174.161 176.600 -0.540 0.000 0.890 147 E CA -1.557 54.654 56.400 -0.313 0.000 0.749 147 E CB 1.607 31.174 29.700 -0.221 0.000 1.193 147 E HN 0.079 nan 8.360 nan 0.000 0.423 148 P HA -0.259 nan 4.420 nan 0.000 0.217 148 P C 1.368 178.174 177.300 -0.824 0.000 1.148 148 P CA 2.129 64.535 63.100 -1.158 0.000 0.834 148 P CB 0.318 31.695 31.700 -0.537 0.000 0.783 149 E N -0.036 119.908 120.200 -0.425 0.000 2.209 149 E HA -0.249 4.101 4.350 -0.001 0.000 0.196 149 E C 1.572 178.028 176.600 -0.241 0.000 0.993 149 E CA 1.666 57.915 56.400 -0.252 0.000 0.819 149 E CB -1.547 28.057 29.700 -0.160 0.000 0.745 149 E HN 0.339 nan 8.360 nan 0.000 0.477 150 D N -1.167 119.039 120.400 -0.323 0.000 2.355 150 D HA 0.003 4.642 4.640 -0.001 0.000 0.218 150 D C 1.246 177.439 176.300 -0.178 0.000 1.004 150 D CA 0.186 54.056 54.000 -0.216 0.000 0.880 150 D CB -0.141 40.545 40.800 -0.191 0.000 0.911 150 D HN 0.539 nan 8.370 nan 0.000 0.528 151 Y N 0.877 120.961 120.300 -0.360 0.000 2.128 151 Y HA -0.178 4.372 4.550 -0.001 0.000 0.284 151 Y C 2.579 178.378 175.900 -0.167 0.000 1.154 151 Y CA 0.092 57.834 58.100 -0.595 0.000 1.149 151 Y CB -1.149 36.926 38.460 -0.642 0.000 0.976 151 Y HN -0.129 nan 8.280 nan 0.000 0.505 152 V N -0.944 119.025 119.914 0.091 0.000 2.332 152 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 152 V C 2.402 178.544 176.094 0.080 0.000 1.055 152 V CA 1.611 63.969 62.300 0.097 0.000 1.038 152 V CB -1.080 30.777 31.823 0.057 0.000 0.651 152 V HN 0.229 nan 8.190 nan 0.000 0.450 153 V N -0.430 119.508 119.914 0.042 0.000 2.343 153 V HA -0.209 3.910 4.120 -0.001 0.000 0.247 153 V C 2.410 178.545 176.094 0.068 0.000 1.051 153 V CA 1.871 64.194 62.300 0.038 0.000 1.036 153 V CB -0.314 31.514 31.823 0.008 0.000 0.654 153 V HN 0.405 nan 8.190 nan 0.000 0.451 154 V N -0.351 119.618 119.914 0.092 0.000 2.295 154 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 154 V C 2.571 178.781 176.094 0.194 0.000 1.049 154 V CA 2.306 64.695 62.300 0.149 0.000 1.024 154 V CB -0.632 31.321 31.823 0.216 0.000 0.648 154 V HN 0.545 nan 8.190 nan 0.000 0.447 155 S N -0.220 115.632 115.700 0.254 0.000 2.359 155 S HA -0.230 4.240 4.470 -0.001 0.000 0.224 155 S C 2.101 176.773 174.600 0.120 0.000 1.035 155 S CA 2.117 60.448 58.200 0.217 0.000 1.018 155 S CB -0.502 62.844 63.200 0.244 0.000 0.876 155 S HN 0.684 nan 8.310 nan 0.000 0.448 156 T N 1.515 116.129 114.554 0.099 0.000 2.720 156 T HA -0.143 4.207 4.350 -0.001 0.000 0.268 156 T C 1.809 176.543 174.700 0.056 0.000 1.037 156 T CA 1.471 63.611 62.100 0.066 0.000 1.144 156 T CB -0.299 68.601 68.868 0.054 0.000 0.864 156 T HN 0.523 nan 8.240 nan 0.000 0.444 157 E N 0.430 120.667 120.200 0.061 0.000 2.106 157 E HA -0.073 4.276 4.350 -0.001 0.000 0.192 157 E C 2.132 178.761 176.600 0.048 0.000 0.984 157 E CA 0.878 57.308 56.400 0.050 0.000 0.806 157 E CB -0.124 29.607 29.700 0.051 0.000 0.750 157 E HN 0.485 nan 8.360 nan 0.000 0.458 158 M N 0.490 120.126 119.600 0.059 0.000 2.296 158 M HA -0.152 4.327 4.480 -0.001 0.000 0.265 158 M C 2.107 178.426 176.300 0.031 0.000 1.064 158 M CA 1.286 56.613 55.300 0.045 0.000 1.109 158 M CB 0.025 32.655 32.600 0.049 0.000 1.396 158 M HN 0.154 nan 8.290 nan 0.000 0.430 159 Q N -0.580 119.241 119.800 0.035 0.000 2.360 159 Q HA 0.041 4.381 4.340 -0.001 0.000 0.202 159 Q C 1.577 177.591 176.000 0.023 0.000 0.915 159 Q CA 1.094 56.913 55.803 0.025 0.000 0.943 159 Q CB -0.150 28.605 28.738 0.028 0.000 1.064 159 Q HN 0.437 nan 8.270 nan 0.000 0.511 160 S N -0.601 115.114 115.700 0.026 0.000 2.478 160 S HA 0.069 4.539 4.470 -0.001 0.000 0.222 160 S C 0.795 175.405 174.600 0.018 0.000 1.008 160 S CA 0.235 58.448 58.200 0.022 0.000 0.928 160 S CB 0.442 63.657 63.200 0.025 0.000 0.781 160 S HN 0.287 nan 8.310 nan 0.000 0.518 161 S N -0.412 115.299 115.700 0.017 0.000 2.661 161 S HA 0.415 4.884 4.470 -0.001 0.000 0.285 161 S C 0.220 174.827 174.600 0.011 0.000 1.138 161 S CA -0.596 57.612 58.200 0.014 0.000 0.855 161 S CB 1.427 64.636 63.200 0.015 0.000 1.136 161 S HN 0.305 nan 8.310 nan 0.000 0.484 162 E N 0.819 121.025 120.200 0.009 0.000 2.204 162 E HA -0.080 4.270 4.350 -0.001 0.000 0.195 162 E C 1.687 178.291 176.600 0.007 0.000 0.990 162 E CA 1.274 57.678 56.400 0.007 0.000 0.821 162 E CB -0.118 29.586 29.700 0.006 0.000 0.750 162 E HN 0.501 nan 8.360 nan 0.000 0.477 163 S N 0.663 116.368 115.700 0.009 0.000 2.399 163 S HA -0.122 4.348 4.470 -0.001 0.000 0.231 163 S C 0.661 175.266 174.600 0.008 0.000 1.022 163 S CA 0.685 58.890 58.200 0.009 0.000 0.983 163 S CB -0.082 63.125 63.200 0.012 0.000 0.803 163 S HN 0.237 nan 8.310 nan 0.000 0.480 164 K N 0.824 121.230 120.400 0.009 0.000 3.035 164 K HA -0.188 4.132 4.320 -0.001 0.000 0.262 164 K C -0.904 175.701 176.600 0.009 0.000 1.024 164 K CA 0.690 56.982 56.287 0.008 0.000 0.748 164 K CB -1.063 31.438 32.500 0.001 0.000 1.247 164 K HN 0.369 nan 8.250 nan 0.000 0.482 165 D N -1.133 119.277 120.400 0.017 0.000 2.579 165 D HA 0.297 4.936 4.640 -0.001 0.000 0.257 165 D C -0.321 175.999 176.300 0.032 0.000 1.176 165 D CA -0.091 53.922 54.000 0.021 0.000 0.914 165 D CB 1.382 42.191 40.800 0.016 0.000 1.431 165 D HN 0.068 nan 8.370 nan 0.000 0.454 166 T N -1.323 113.255 114.554 0.040 0.000 2.816 166 T HA 0.567 4.916 4.350 -0.001 0.000 0.282 166 T C 0.596 175.320 174.700 0.039 0.000 0.993 166 T CA -0.654 61.474 62.100 0.047 0.000 0.994 166 T CB 0.686 69.587 68.868 0.056 0.000 1.025 166 T HN 0.341 nan 8.240 nan 0.000 0.529 167 S N 0.473 116.197 115.700 0.040 0.000 2.652 167 S HA 0.323 4.792 4.470 -0.001 0.000 0.270 167 S C 1.062 175.690 174.600 0.046 0.000 1.243 167 S CA -0.959 57.263 58.200 0.037 0.000 0.999 167 S CB 0.824 64.044 63.200 0.033 0.000 0.973 167 S HN 0.651 nan 8.310 nan 0.000 0.544 168 L N 0.709 121.961 121.223 0.048 0.000 2.083 168 L HA 0.035 4.374 4.340 -0.001 0.000 0.209 168 L C 2.415 179.331 176.870 0.076 0.000 1.083 168 L CA 2.132 57.013 54.840 0.067 0.000 0.752 168 L CB -1.287 40.807 42.059 0.059 0.000 0.899 168 L HN 0.967 nan 8.230 nan 0.000 0.433 169 E N -0.853 119.379 120.200 0.054 0.000 2.077 169 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 169 E C 2.026 178.648 176.600 0.036 0.000 0.989 169 E CA 1.967 58.394 56.400 0.044 0.000 0.800 169 E CB -0.436 29.284 29.700 0.032 0.000 0.746 169 E HN 0.495 nan 8.360 nan 0.000 0.452 170 T N 0.364 114.939 114.554 0.036 0.000 2.821 170 T HA -0.057 4.292 4.350 -0.001 0.000 0.267 170 T C 1.770 176.486 174.700 0.027 0.000 1.046 170 T CA 1.196 63.312 62.100 0.027 0.000 1.139 170 T CB -0.151 68.737 68.868 0.032 0.000 0.871 170 T HN 0.179 nan 8.240 nan 0.000 0.454 171 R N 0.696 121.228 120.500 0.053 0.000 2.115 171 R HA 0.059 4.399 4.340 -0.001 0.000 0.230 171 R C 2.655 178.973 176.300 0.030 0.000 1.111 171 R CA 0.889 57.032 56.100 0.071 0.000 0.976 171 R CB -0.134 30.241 30.300 0.125 0.000 0.870 171 R HN 0.368 nan 8.270 nan 0.000 0.445 172 R N 0.257 120.772 120.500 0.025 0.000 2.075 172 R HA -0.086 4.253 4.340 -0.001 0.000 0.232 172 R C 2.290 178.514 176.300 -0.126 0.000 1.126 172 R CA 0.984 57.013 56.100 -0.120 0.000 0.963 172 R CB -0.074 30.221 30.300 -0.008 0.000 0.858 172 R HN 0.160 nan 8.270 nan 0.000 0.435 173 Q N 0.692 120.462 119.800 -0.050 0.000 2.119 173 Q HA -0.074 4.266 4.340 -0.001 0.000 0.201 173 Q C 2.263 178.232 176.000 -0.051 0.000 0.972 173 Q CA 1.226 57.005 55.803 -0.040 0.000 0.847 173 Q CB -0.140 28.586 28.738 -0.019 0.000 0.903 173 Q HN 0.391 nan 8.270 nan 0.000 0.433 174 L N 0.004 121.195 121.223 -0.053 0.000 2.093 174 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 174 L C 2.416 179.230 176.870 -0.094 0.000 1.085 174 L CA 0.994 55.796 54.840 -0.064 0.000 0.755 174 L CB -0.609 41.425 42.059 -0.043 0.000 0.904 174 L HN 0.106 nan 8.230 nan 0.000 0.435 175 A N 0.131 122.878 122.820 -0.123 0.000 1.902 175 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 175 A C 2.204 179.760 177.584 -0.047 0.000 1.181 175 A CA 1.628 53.573 52.037 -0.153 0.000 0.623 175 A CB -0.691 18.130 19.000 -0.298 0.000 0.818 175 A HN 0.324 nan 8.150 nan 0.000 0.443 176 L N -0.017 121.190 121.223 -0.027 0.000 2.042 176 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 176 L C 2.150 179.051 176.870 0.051 0.000 1.076 176 L CA 2.364 57.234 54.840 0.049 0.000 0.749 176 L CB -0.585 41.480 42.059 0.009 0.000 0.893 176 L HN 0.354 nan 8.230 nan 0.000 0.432 177 K N -0.577 119.820 120.400 -0.005 0.000 2.097 177 K HA -0.091 4.229 4.320 -0.001 0.000 0.206 177 K C 2.092 178.686 176.600 -0.009 0.000 1.049 177 K CA 1.253 57.536 56.287 -0.007 0.000 0.933 177 K CB -0.375 32.095 32.500 -0.049 0.000 0.717 177 K HN 0.511 nan 8.250 nan 0.000 0.442 178 A N 0.950 123.715 122.820 -0.091 0.000 1.877 178 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 178 A C 1.882 179.412 177.584 -0.090 0.000 1.186 178 A CA 1.334 53.271 52.037 -0.167 0.000 0.620 178 A CB -0.687 18.117 19.000 -0.326 0.000 0.822 178 A HN 0.184 nan 8.150 nan 0.000 0.443 179 F N 0.764 120.727 119.950 0.021 0.000 2.293 179 F HA -0.071 4.455 4.527 -0.001 0.000 0.300 179 F C 2.615 178.439 175.800 0.040 0.000 1.086 179 F CA 1.593 59.609 58.000 0.028 0.000 1.375 179 F CB -0.853 38.152 39.000 0.007 0.000 1.045 179 F HN 0.148 nan 8.300 nan 0.000 0.516 180 T N -2.318 112.359 114.554 0.206 0.000 2.896 180 T HA -0.185 4.165 4.350 -0.001 0.000 0.263 180 T C 1.724 176.509 174.700 0.142 0.000 1.050 180 T CA 1.483 63.667 62.100 0.140 0.000 1.140 180 T CB -0.412 68.518 68.868 0.103 0.000 0.877 180 T HN 0.303 nan 8.240 nan 0.000 0.457 181 H N 1.371 120.463 119.070 0.037 0.000 2.321 181 H HA -0.087 4.468 4.556 -0.001 0.000 0.300 181 H C 2.477 177.837 175.328 0.052 0.000 1.087 181 H CA 2.203 58.263 56.048 0.020 0.000 1.319 181 H CB -0.196 29.547 29.762 -0.032 0.000 1.379 181 H HN 0.413 nan 8.280 nan 0.000 0.501 182 T N -2.443 112.210 114.554 0.165 0.000 2.942 182 T HA 0.048 4.398 4.350 -0.001 0.000 0.265 182 T C 2.231 177.012 174.700 0.136 0.000 1.062 182 T CA 0.789 62.969 62.100 0.134 0.000 1.139 182 T CB -0.609 68.342 68.868 0.139 0.000 0.883 182 T HN 0.384 nan 8.240 nan 0.000 0.468 183 A N 1.843 124.740 122.820 0.128 0.000 1.902 183 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 183 A C 2.481 180.090 177.584 0.042 0.000 1.181 183 A CA 1.562 53.646 52.037 0.079 0.000 0.623 183 A CB -0.827 18.215 19.000 0.069 0.000 0.818 183 A HN 0.628 nan 8.150 nan 0.000 0.443 184 Q N -2.178 117.645 119.800 0.038 0.000 2.119 184 Q HA -0.184 4.155 4.340 -0.001 0.000 0.201 184 Q C 1.985 177.989 176.000 0.007 0.000 0.972 184 Q CA 1.624 57.432 55.803 0.008 0.000 0.847 184 Q CB -0.314 28.420 28.738 -0.006 0.000 0.903 184 Q HN 0.805 nan 8.270 nan 0.000 0.433 185 Y N 1.893 122.119 120.300 -0.125 0.000 2.114 185 Y HA -0.236 4.314 4.550 -0.001 0.000 0.284 185 Y C 1.631 177.442 175.900 -0.149 0.000 1.143 185 Y CA 1.762 59.776 58.100 -0.143 0.000 1.135 185 Y CB -0.037 38.334 38.460 -0.150 0.000 0.980 185 Y HN 0.072 nan 8.280 nan 0.000 0.499 186 D N -0.324 120.039 120.400 -0.062 0.000 2.269 186 D HA -0.137 4.503 4.640 -0.001 0.000 0.208 186 D C 2.050 178.243 176.300 -0.179 0.000 0.963 186 D CA 1.142 55.036 54.000 -0.176 0.000 0.864 186 D CB -0.224 40.529 40.800 -0.077 0.000 0.936 186 D HN 0.620 nan 8.370 nan 0.000 0.505 187 E N 0.510 120.643 120.200 -0.112 0.000 2.072 187 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 187 E C 1.940 178.471 176.600 -0.115 0.000 0.985 187 E CA 1.021 57.366 56.400 -0.091 0.000 0.801 187 E CB 0.048 29.719 29.700 -0.048 0.000 0.750 187 E HN 0.149 nan 8.360 nan 0.000 0.452 188 A N 1.126 123.865 122.820 -0.135 0.000 1.902 188 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 188 A C 2.176 179.706 177.584 -0.091 0.000 1.181 188 A CA 1.332 53.316 52.037 -0.089 0.000 0.623 188 A CB -0.588 18.368 19.000 -0.074 0.000 0.818 188 A HN 0.353 nan 8.150 nan 0.000 0.443 189 I N 0.605 120.959 120.570 -0.361 0.000 2.202 189 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 189 I C 2.912 178.945 176.117 -0.140 0.000 1.091 189 I CA 1.622 62.663 61.300 -0.431 0.000 1.368 189 I CB -0.324 37.225 38.000 -0.751 0.000 1.058 189 I HN 0.511 nan 8.210 nan 0.000 0.410 190 S N 0.111 115.692 115.700 -0.199 0.000 2.383 190 S HA -0.251 4.218 4.470 -0.001 0.000 0.227 190 S C 1.676 176.277 174.600 0.002 0.000 1.026 190 S CA 1.536 59.664 58.200 -0.120 0.000 0.981 190 S CB -0.539 62.584 63.200 -0.128 0.000 0.818 190 S HN 0.476 nan 8.310 nan 0.000 0.472 191 D N 0.434 120.809 120.400 -0.041 0.000 2.117 191 D HA -0.200 4.439 4.640 -0.001 0.000 0.197 191 D C 1.787 178.117 176.300 0.050 0.000 0.987 191 D CA 1.240 55.188 54.000 -0.086 0.000 0.829 191 D CB -0.501 40.224 40.800 -0.126 0.000 0.961 191 D HN 0.482 nan 8.370 nan 0.000 0.460 192 Y N -0.280 120.049 120.300 0.049 0.000 2.145 192 Y HA -0.159 4.390 4.550 -0.001 0.000 0.286 192 Y C 1.843 177.786 175.900 0.072 0.000 1.145 192 Y CA 1.489 59.649 58.100 0.100 0.000 1.148 192 Y CB -0.595 38.049 38.460 0.307 0.000 0.981 192 Y HN -0.031 nan 8.280 nan 0.000 0.507 193 F N 0.267 120.180 119.950 -0.061 0.000 2.171 193 F HA -0.160 4.366 4.527 -0.001 0.000 0.300 193 F C 2.542 178.257 175.800 -0.143 0.000 1.090 193 F CA 1.623 59.542 58.000 -0.135 0.000 1.293 193 F CB -0.688 38.380 39.000 0.112 0.000 1.013 193 F HN -0.040 nan 8.300 nan 0.000 0.486 194 R N 0.168 120.720 120.500 0.087 0.000 2.081 194 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 194 R C 2.167 178.422 176.300 -0.074 0.000 1.131 194 R CA 1.503 57.616 56.100 0.021 0.000 0.960 194 R CB -0.282 30.012 30.300 -0.011 0.000 0.856 194 R HN 0.256 nan 8.270 nan 0.000 0.436 195 K N -0.058 120.253 120.400 -0.148 0.000 2.097 195 K HA -0.115 4.205 4.320 -0.001 0.000 0.205 195 K C 2.156 178.572 176.600 -0.306 0.000 1.050 195 K CA 1.009 57.181 56.287 -0.192 0.000 0.938 195 K CB 0.109 32.505 32.500 -0.173 0.000 0.718 195 K HN 0.114 nan 8.250 nan 0.000 0.442 196 Q N -0.766 118.696 119.800 -0.564 0.000 2.250 196 Q HA -0.028 4.311 4.340 -0.001 0.000 0.200 196 Q C 1.134 176.808 176.000 -0.542 0.000 0.941 196 Q CA 1.273 56.641 55.803 -0.724 0.000 0.872 196 Q CB 0.296 28.271 28.738 -1.271 0.000 0.965 196 Q HN 0.448 nan 8.270 nan 0.000 0.480 197 Y N -1.607 118.565 120.300 -0.214 0.000 2.453 197 Y HA 0.323 4.873 4.550 -0.001 0.000 0.247 197 Y C 1.374 177.226 175.900 -0.080 0.000 1.124 197 Y CA -0.440 57.571 58.100 -0.148 0.000 1.243 197 Y CB 0.711 39.075 38.460 -0.159 0.000 1.213 197 Y HN -0.137 nan 8.280 nan 0.000 0.523 198 S N 0.181 115.914 115.700 0.054 0.000 2.843 198 S HA 0.154 4.624 4.470 -0.001 0.000 0.249 198 S C 0.069 174.669 174.600 0.001 0.000 1.047 198 S CA -0.533 57.692 58.200 0.041 0.000 1.042 198 S CB -0.208 63.031 63.200 0.064 0.000 0.936 198 S HN 0.171 nan 8.310 nan 0.000 0.531 199 K N 0.874 121.259 120.400 -0.024 0.000 2.447 199 K HA 0.294 4.613 4.320 -0.001 0.000 0.281 199 K C 1.133 177.720 176.600 -0.023 0.000 1.031 199 K CA 1.285 57.552 56.287 -0.033 0.000 1.019 199 K CB -0.116 32.354 32.500 -0.050 0.000 0.918 199 K HN 0.389 nan 8.250 nan 0.000 0.476 200 G N 2.222 111.008 108.800 -0.023 0.000 2.179 200 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.260 200 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.260 200 G C 0.413 175.296 174.900 -0.027 0.000 0.977 200 G CA 0.350 45.433 45.100 -0.029 0.000 0.641 200 G HN 0.472 nan 8.290 nan 0.000 0.533 201 V N 0.458 120.362 119.914 -0.016 0.000 3.050 201 V HA 0.265 4.385 4.120 -0.001 0.000 0.223 201 V C 2.342 178.430 176.094 -0.009 0.000 1.162 201 V CA 2.160 64.452 62.300 -0.013 0.000 1.247 201 V CB 0.244 32.068 31.823 0.002 0.000 1.125 201 V HN 0.916 nan 8.190 nan 0.000 0.508 202 S N -1.131 114.578 115.700 0.014 0.000 2.539 202 S HA 0.247 4.717 4.470 -0.001 0.000 0.221 202 S C 0.438 175.075 174.600 0.062 0.000 0.987 202 S CA -0.120 58.099 58.200 0.033 0.000 0.929 202 S CB 0.348 63.581 63.200 0.056 0.000 0.832 202 S HN 0.457 nan 8.310 nan 0.000 0.492 203 Q N 0.847 120.671 119.800 0.039 0.000 2.345 203 Q HA 0.532 4.872 4.340 -0.001 0.000 0.275 203 Q C -2.087 173.923 176.000 0.016 0.000 1.063 203 Q CA -0.409 55.427 55.803 0.055 0.000 0.819 203 Q CB 2.268 31.023 28.738 0.028 0.000 1.356 203 Q HN 0.521 nan 8.270 nan 0.000 0.418 204 M N 4.804 124.418 119.600 0.022 0.000 2.149 204 M HA 0.430 4.910 4.480 -0.001 0.000 0.273 204 M C -2.696 173.607 176.300 0.004 0.000 0.972 204 M CA -1.552 53.744 55.300 -0.007 0.000 0.984 204 M CB 2.316 34.896 32.600 -0.034 0.000 1.699 204 M HN 0.222 nan 8.290 nan 0.000 0.462 205 P HA 0.316 nan 4.420 nan 0.000 0.271 205 P C -1.338 175.959 177.300 -0.005 0.000 1.218 205 P CA -0.105 62.998 63.100 0.005 0.000 0.780 205 P CB 0.630 32.326 31.700 -0.006 0.000 0.901 206 L N 2.665 123.893 121.223 0.009 0.000 2.341 206 L HA 0.473 4.813 4.340 -0.001 0.000 0.267 206 L C 1.959 178.800 176.870 -0.047 0.000 1.009 206 L CA -0.897 53.929 54.840 -0.022 0.000 0.819 206 L CB 2.001 44.076 42.059 0.026 0.000 1.323 206 L HN 0.388 nan 8.230 nan 0.000 0.425 207 R N 1.326 121.739 120.500 -0.145 0.000 2.105 207 R HA -0.091 4.249 4.340 -0.001 0.000 0.239 207 R C -0.417 175.855 176.300 -0.046 0.000 1.135 207 R CA 1.386 57.398 56.100 -0.147 0.000 0.967 207 R CB -0.439 29.704 30.300 -0.260 0.000 0.861 207 R HN 0.624 nan 8.270 nan 0.000 0.442 208 Y N -3.640 116.684 120.300 0.041 0.000 2.779 208 Y HA 0.607 5.156 4.550 -0.001 0.000 0.340 208 Y C 0.209 176.100 175.900 -0.015 0.000 1.252 208 Y CA -1.120 56.980 58.100 0.000 0.000 1.072 208 Y CB 0.203 38.650 38.460 -0.021 0.000 1.343 208 Y HN -0.054 nan 8.280 nan 0.000 0.450 209 G N 0.342 109.211 108.800 0.116 0.000 3.086 209 G HA2 0.212 4.172 3.960 -0.001 0.000 0.159 209 G HA3 0.212 4.172 3.960 -0.001 0.000 0.159 209 G C 0.547 175.287 174.900 -0.265 0.000 1.654 209 G CA 0.111 45.025 45.100 -0.310 0.000 1.078 209 G HN 0.702 nan 8.290 nan 0.000 0.558 210 M N 0.335 119.609 119.600 -0.543 0.000 2.202 210 M HA 0.066 4.546 4.480 -0.001 0.000 0.262 210 M C 0.304 176.594 176.300 -0.017 0.000 1.063 210 M CA 1.002 56.165 55.300 -0.228 0.000 1.097 210 M CB -0.300 32.163 32.600 -0.228 0.000 1.382 210 M HN 0.333 nan 8.290 nan 0.000 0.413 211 N N -2.277 116.360 118.700 -0.106 0.000 2.416 211 N HA 0.248 4.988 4.740 -0.001 0.000 0.276 211 N C -2.458 172.789 175.510 -0.439 0.000 1.261 211 N CA -1.171 51.784 53.050 -0.159 0.000 0.790 211 N CB 1.162 39.639 38.487 -0.017 0.000 1.554 211 N HN -0.294 nan 8.380 nan 0.000 0.481 212 P HA -0.193 nan 4.420 nan 0.000 0.217 212 P C 1.053 178.194 177.300 -0.266 0.000 1.151 212 P CA 1.551 64.144 63.100 -0.845 0.000 0.849 212 P CB -0.103 31.277 31.700 -0.534 0.000 0.787 213 H N -1.561 117.387 119.070 -0.203 0.000 2.555 213 H HA 0.113 4.668 4.556 -0.001 0.000 0.269 213 H C 0.218 175.512 175.328 -0.058 0.000 0.988 213 H CA 0.344 56.333 56.048 -0.099 0.000 1.178 213 H CB -0.631 29.085 29.762 -0.076 0.000 1.373 213 H HN 0.222 nan 8.280 nan 0.000 0.588 214 Q N 2.417 121.956 119.800 -0.436 0.000 2.571 214 Q HA 0.253 4.592 4.340 -0.001 0.000 0.222 214 Q C -0.395 175.549 176.000 -0.093 0.000 1.167 214 Q CA -0.334 55.282 55.803 -0.311 0.000 0.966 214 Q CB 1.001 29.493 28.738 -0.410 0.000 1.274 214 Q HN 0.475 nan 8.270 nan 0.000 0.552 215 T N -1.362 113.173 114.554 -0.032 0.000 2.906 215 T HA 0.728 5.077 4.350 -0.001 0.000 0.295 215 T C -2.009 172.702 174.700 0.019 0.000 1.061 215 T CA -1.399 60.718 62.100 0.028 0.000 1.000 215 T CB 1.544 70.447 68.868 0.059 0.000 1.103 215 T HN 0.245 nan 8.240 nan 0.000 0.486 216 P HA 0.825 nan 4.420 nan 0.000 0.297 216 P C -1.196 176.140 177.300 0.062 0.000 1.307 216 P CA -0.808 62.321 63.100 0.048 0.000 0.773 216 P CB 0.766 32.490 31.700 0.041 0.000 1.265 217 A N -0.413 122.458 122.820 0.085 0.000 2.612 217 A HA 0.641 4.961 4.320 -0.001 0.000 0.293 217 A C -1.409 176.258 177.584 0.139 0.000 1.075 217 A CA -0.531 51.590 52.037 0.140 0.000 0.680 217 A CB 1.759 20.866 19.000 0.178 0.000 1.279 217 A HN 0.801 nan 8.150 nan 0.000 0.411 218 Q N -0.151 119.758 119.800 0.183 0.000 2.633 218 Q HA 0.741 5.080 4.340 -0.001 0.000 0.289 218 Q C -2.050 174.034 176.000 0.138 0.000 0.940 218 Q CA -0.873 55.016 55.803 0.143 0.000 0.785 218 Q CB 1.548 30.373 28.738 0.146 0.000 1.467 218 Q HN 1.219 nan 8.270 nan 0.000 0.401 219 L N 2.266 123.535 121.223 0.076 0.000 2.341 219 L HA 0.788 5.128 4.340 -0.001 0.000 0.278 219 L C -1.730 175.192 176.870 0.088 0.000 1.005 219 L CA -0.328 54.502 54.840 -0.016 0.000 0.818 219 L CB 1.631 43.625 42.059 -0.108 0.000 1.259 219 L HN 0.759 nan 8.230 nan 0.000 0.418 220 Y N 1.011 121.278 120.300 -0.054 0.000 2.670 220 Y HA 0.820 5.370 4.550 -0.001 0.000 0.334 220 Y C -1.052 174.825 175.900 -0.038 0.000 1.185 220 Y CA -0.849 57.227 58.100 -0.040 0.000 1.053 220 Y CB 1.416 39.867 38.460 -0.014 0.000 1.298 220 Y HN 0.677 nan 8.280 nan 0.000 0.459 221 T N 1.155 115.791 114.554 0.136 0.000 2.896 221 T HA 0.453 4.802 4.350 -0.001 0.000 0.297 221 T C -0.207 174.598 174.700 0.175 0.000 1.108 221 T CA -0.904 61.230 62.100 0.056 0.000 1.004 221 T CB 1.202 70.068 68.868 -0.004 0.000 1.159 221 T HN 0.841 nan 8.240 nan 0.000 0.499 222 L N 1.630 122.932 121.223 0.130 0.000 2.591 222 L HA 0.234 4.574 4.340 -0.001 0.000 0.228 222 L C 1.157 178.077 176.870 0.083 0.000 1.133 222 L CA -0.025 54.888 54.840 0.121 0.000 0.880 222 L CB -0.125 41.994 42.059 0.100 0.000 1.033 222 L HN 0.488 nan 8.230 nan 0.000 0.450 223 Q N 0.142 119.990 119.800 0.080 0.000 2.318 223 Q HA 0.184 4.524 4.340 -0.001 0.000 0.222 223 Q C -1.391 174.643 176.000 0.056 0.000 1.003 223 Q CA -1.646 54.198 55.803 0.069 0.000 0.936 223 Q CB 0.337 29.128 28.738 0.087 0.000 1.204 223 Q HN -0.151 nan 8.270 nan 0.000 0.524 224 P HA -0.078 nan 4.420 nan 0.000 0.219 224 P C -0.196 177.121 177.300 0.029 0.000 1.146 224 P CA 1.520 64.643 63.100 0.039 0.000 0.808 224 P CB 0.405 32.124 31.700 0.031 0.000 0.779 225 K N -1.013 119.397 120.400 0.017 0.000 2.546 225 K HA 0.267 4.587 4.320 -0.001 0.000 0.264 225 K C -1.035 175.536 176.600 -0.049 0.000 0.937 225 K CA -0.763 55.517 56.287 -0.010 0.000 0.833 225 K CB 1.206 33.697 32.500 -0.016 0.000 1.378 225 K HN -0.181 nan 8.250 nan 0.000 0.432 226 L N 4.372 125.546 121.223 -0.082 0.000 2.461 226 L HA 0.165 4.505 4.340 -0.001 0.000 0.272 226 L C -1.275 175.462 176.870 -0.222 0.000 1.197 226 L CA -1.148 53.592 54.840 -0.166 0.000 0.836 226 L CB 0.565 42.532 42.059 -0.153 0.000 1.105 226 L HN 0.610 nan 8.230 nan 0.000 0.477 227 P HA 0.078 nan 4.420 nan 0.000 0.249 227 P C 0.131 177.231 177.300 -0.333 0.000 1.229 227 P CA 0.711 63.575 63.100 -0.393 0.000 0.788 227 P CB 0.361 31.597 31.700 -0.773 0.000 1.072 228 I N 0.109 120.497 120.570 -0.304 0.000 2.359 228 I HA 0.222 4.392 4.170 -0.001 0.000 0.294 228 I C 0.032 176.047 176.117 -0.169 0.000 0.987 228 I CA -0.250 60.898 61.300 -0.254 0.000 1.225 228 I CB 1.751 39.596 38.000 -0.258 0.000 1.366 228 I HN -0.298 nan 8.210 nan 0.000 0.466 229 T N 5.584 120.057 114.554 -0.134 0.000 2.786 229 T HA 0.328 4.677 4.350 -0.001 0.000 0.283 229 T C -0.201 174.450 174.700 -0.082 0.000 0.992 229 T CA -0.453 61.591 62.100 -0.092 0.000 0.954 229 T CB 1.522 70.350 68.868 -0.068 0.000 0.934 229 T HN 0.141 nan 8.240 nan 0.000 0.440 230 V N 5.754 125.620 119.914 -0.080 0.000 2.427 230 V HA 0.160 4.280 4.120 -0.001 0.000 0.268 230 V C 1.146 177.192 176.094 -0.081 0.000 1.046 230 V CA 0.069 62.320 62.300 -0.081 0.000 0.970 230 V CB 0.366 32.143 31.823 -0.077 0.000 1.001 230 V HN 0.853 nan 8.190 nan 0.000 0.476 231 L N 3.496 124.657 121.223 -0.104 0.000 2.463 231 L HA 0.312 4.652 4.340 -0.001 0.000 0.219 231 L C 0.766 177.565 176.870 -0.119 0.000 1.088 231 L CA 0.513 55.283 54.840 -0.117 0.000 0.849 231 L CB 0.050 42.005 42.059 -0.173 0.000 1.012 231 L HN 0.729 nan 8.230 nan 0.000 0.468 232 N N -1.425 117.201 118.700 -0.124 0.000 2.598 232 N HA 0.493 5.232 4.740 -0.001 0.000 0.263 232 N C -0.111 175.343 175.510 -0.094 0.000 1.254 232 N CA 0.506 53.498 53.050 -0.097 0.000 0.863 232 N CB 1.598 40.028 38.487 -0.095 0.000 1.586 232 N HN 0.127 nan 8.380 nan 0.000 0.491 233 G N 1.017 109.778 108.800 -0.065 0.000 2.569 233 G HA2 0.335 4.294 3.960 -0.001 0.000 0.259 233 G HA3 0.335 4.294 3.960 -0.001 0.000 0.259 233 G C -0.734 174.128 174.900 -0.063 0.000 1.263 233 G CA 0.073 45.136 45.100 -0.061 0.000 0.928 233 G HN 1.493 nan 8.290 nan 0.000 0.572 234 A N 0.270 123.051 122.820 -0.064 0.000 2.509 234 A HA 0.758 5.078 4.320 -0.001 0.000 0.282 234 A C -2.238 175.308 177.584 -0.062 0.000 1.054 234 A CA 0.092 52.092 52.037 -0.062 0.000 0.820 234 A CB 1.699 20.666 19.000 -0.054 0.000 1.333 234 A HN 1.075 nan 8.150 nan 0.000 0.409 235 P HA 0.429 nan 4.420 nan 0.000 0.271 235 P C 0.414 177.665 177.300 -0.081 0.000 1.218 235 P CA 0.317 63.383 63.100 -0.057 0.000 0.780 235 P CB 1.421 33.073 31.700 -0.079 0.000 0.901 236 G N 0.310 109.066 108.800 -0.075 0.000 2.601 236 G HA2 0.294 4.254 3.960 -0.001 0.000 0.317 236 G HA3 0.294 4.254 3.960 -0.001 0.000 0.317 236 G C 0.134 175.020 174.900 -0.024 0.000 1.246 236 G CA -0.757 44.288 45.100 -0.092 0.000 1.012 236 G HN 0.390 nan 8.290 nan 0.000 0.494 237 F N -0.155 119.723 119.950 -0.119 0.000 2.069 237 F HA -0.089 4.438 4.527 -0.001 0.000 0.298 237 F C 2.480 178.251 175.800 -0.049 0.000 1.113 237 F CA 1.630 59.593 58.000 -0.062 0.000 1.214 237 F CB -0.029 38.966 39.000 -0.008 0.000 0.978 237 F HN 0.246 nan 8.300 nan 0.000 0.474 238 I N 0.001 120.743 120.570 0.287 0.000 2.394 238 I HA -0.311 3.859 4.170 -0.001 0.000 0.251 238 I C 1.895 178.005 176.117 -0.012 0.000 1.136 238 I CA 1.460 62.865 61.300 0.175 0.000 1.425 238 I CB -0.631 37.483 38.000 0.189 0.000 1.079 238 I HN 0.238 nan 8.210 nan 0.000 0.425 239 N N 0.800 119.466 118.700 -0.057 0.000 2.104 239 N HA -0.192 4.548 4.740 -0.001 0.000 0.190 239 N C 1.890 177.075 175.510 -0.541 0.000 1.024 239 N CA 1.117 54.027 53.050 -0.234 0.000 0.853 239 N CB -0.105 38.331 38.487 -0.086 0.000 1.008 239 N HN 0.267 nan 8.380 nan 0.000 0.424 240 L N 0.250 121.253 121.223 -0.368 0.000 2.093 240 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 240 L C 2.301 178.957 176.870 -0.355 0.000 1.085 240 L CA 0.705 55.305 54.840 -0.400 0.000 0.755 240 L CB -0.430 41.412 42.059 -0.362 0.000 0.904 240 L HN 0.397 nan 8.230 nan 0.000 0.435 241 C N -0.318 118.823 119.300 -0.265 0.000 2.429 241 C HA -0.150 4.310 4.460 -0.001 0.000 0.277 241 C C 2.446 177.365 174.990 -0.118 0.000 1.262 241 C CA 0.431 59.365 59.018 -0.140 0.000 1.733 241 C CB -0.729 27.009 27.740 -0.004 0.000 2.010 241 C HN 0.545 nan 8.230 nan 0.000 0.483 242 D N 0.941 121.238 120.400 -0.170 0.000 2.084 242 D HA -0.065 4.574 4.640 -0.001 0.000 0.196 242 D C 2.366 178.366 176.300 -0.499 0.000 0.985 242 D CA 1.732 55.632 54.000 -0.166 0.000 0.826 242 D CB -0.558 40.206 40.800 -0.060 0.000 0.978 242 D HN 0.466 nan 8.370 nan 0.000 0.456 243 A N 0.965 123.337 122.820 -0.747 0.000 1.908 243 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 243 A C 2.444 179.823 177.584 -0.342 0.000 1.181 243 A CA 1.044 52.692 52.037 -0.649 0.000 0.627 243 A CB -0.824 17.672 19.000 -0.839 0.000 0.818 243 A HN 0.200 nan 8.150 nan 0.000 0.445 244 L N -0.484 120.559 121.223 -0.300 0.000 2.156 244 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 244 L C 2.299 179.080 176.870 -0.149 0.000 1.095 244 L CA 0.972 55.717 54.840 -0.157 0.000 0.770 244 L CB -0.549 41.426 42.059 -0.140 0.000 0.914 244 L HN 0.411 nan 8.230 nan 0.000 0.439 245 N N 0.232 118.783 118.700 -0.248 0.000 2.207 245 N HA -0.074 4.665 4.740 -0.001 0.000 0.182 245 N C 1.921 177.023 175.510 -0.680 0.000 1.020 245 N CA 1.355 54.230 53.050 -0.291 0.000 0.858 245 N CB 0.004 38.528 38.487 0.062 0.000 0.991 245 N HN 0.263 nan 8.380 nan 0.000 0.427 246 A N 1.424 123.613 122.820 -1.052 0.000 1.933 246 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 246 A C 2.025 179.406 177.584 -0.339 0.000 1.175 246 A CA 0.807 52.266 52.037 -0.963 0.000 0.628 246 A CB -1.051 17.433 19.000 -0.860 0.000 0.814 246 A HN 0.591 nan 8.150 nan 0.000 0.444 247 W N 0.752 121.822 121.300 -0.383 0.000 2.335 247 W HA -0.245 4.415 4.660 -0.001 0.000 0.311 247 W C 2.007 178.373 176.519 -0.254 0.000 1.213 247 W CA 1.991 59.192 57.345 -0.239 0.000 1.274 247 W CB -0.344 29.003 29.460 -0.189 0.000 1.148 247 W HN 0.494 nan 8.180 nan 0.000 0.498 248 Q N 0.587 120.104 119.800 -0.471 0.000 2.124 248 Q HA -0.237 4.103 4.340 -0.001 0.000 0.202 248 Q C 2.481 178.064 176.000 -0.695 0.000 0.977 248 Q CA 1.808 57.238 55.803 -0.622 0.000 0.850 248 Q CB -0.509 27.844 28.738 -0.642 0.000 0.901 248 Q HN 0.409 nan 8.270 nan 0.000 0.429 249 L N 0.583 121.352 121.223 -0.755 0.000 1.976 249 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 249 L C 2.385 179.128 176.870 -0.212 0.000 1.071 249 L CA 1.504 56.130 54.840 -0.357 0.000 0.746 249 L CB -0.332 41.678 42.059 -0.082 0.000 0.890 249 L HN 0.234 nan 8.230 nan 0.000 0.432 250 V N -2.685 117.072 119.914 -0.261 0.000 2.515 250 V HA -0.252 3.868 4.120 -0.001 0.000 0.250 250 V C 2.472 178.358 176.094 -0.347 0.000 1.058 250 V CA 1.972 64.134 62.300 -0.230 0.000 1.064 250 V CB -0.874 30.845 31.823 -0.175 0.000 0.675 250 V HN 0.477 nan 8.190 nan 0.000 0.461 251 K N 0.400 120.440 120.400 -0.601 0.000 2.026 251 K HA -0.210 4.110 4.320 -0.001 0.000 0.208 251 K C 2.276 178.701 176.600 -0.293 0.000 1.048 251 K CA 2.095 58.030 56.287 -0.586 0.000 0.929 251 K CB -0.198 31.806 32.500 -0.827 0.000 0.713 251 K HN 0.658 nan 8.250 nan 0.000 0.439 252 E N 0.441 120.509 120.200 -0.221 0.000 2.106 252 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 252 E C 2.064 178.633 176.600 -0.053 0.000 0.984 252 E CA 0.796 57.145 56.400 -0.084 0.000 0.806 252 E CB 0.052 29.762 29.700 0.016 0.000 0.750 252 E HN 0.277 nan 8.360 nan 0.000 0.458 253 L N 0.747 121.934 121.223 -0.059 0.000 2.017 253 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 253 L C 2.504 179.348 176.870 -0.043 0.000 1.073 253 L CA 1.100 55.923 54.840 -0.028 0.000 0.745 253 L CB -0.243 41.806 42.059 -0.018 0.000 0.894 253 L HN 0.040 nan 8.230 nan 0.000 0.432 254 K N 0.726 121.079 120.400 -0.078 0.000 2.032 254 K HA -0.218 4.101 4.320 -0.001 0.000 0.209 254 K C 1.842 178.410 176.600 -0.054 0.000 1.048 254 K CA 1.717 57.962 56.287 -0.069 0.000 0.927 254 K CB -0.136 32.302 32.500 -0.104 0.000 0.712 254 K HN 0.285 nan 8.250 nan 0.000 0.441 255 E N -0.668 119.494 120.200 -0.064 0.000 2.110 255 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 255 E C 1.886 178.473 176.600 -0.023 0.000 0.988 255 E CA 1.084 57.458 56.400 -0.043 0.000 0.804 255 E CB -0.156 29.514 29.700 -0.049 0.000 0.745 255 E HN 0.455 nan 8.360 nan 0.000 0.458 256 A N 0.399 123.209 122.820 -0.015 0.000 1.968 256 A HA -0.035 4.284 4.320 -0.001 0.000 0.217 256 A C 1.934 179.518 177.584 0.001 0.000 1.169 256 A CA 0.918 52.957 52.037 0.003 0.000 0.638 256 A CB -0.026 18.988 19.000 0.022 0.000 0.812 256 A HN 0.141 nan 8.150 nan 0.000 0.446 257 L N -2.292 118.926 121.223 -0.008 0.000 2.817 257 L HA 0.309 4.648 4.340 -0.001 0.000 0.248 257 L C 1.577 178.441 176.870 -0.011 0.000 1.133 257 L CA 0.450 55.283 54.840 -0.010 0.000 0.935 257 L CB 0.312 42.364 42.059 -0.012 0.000 1.266 257 L HN 0.487 nan 8.230 nan 0.000 0.535 258 G N 1.453 110.244 108.800 -0.014 0.000 2.175 258 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.265 258 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.265 258 G C 0.221 175.114 174.900 -0.010 0.000 0.979 258 G CA 0.396 45.488 45.100 -0.013 0.000 0.663 258 G HN 0.318 nan 8.290 nan 0.000 0.533 259 I N 0.738 121.302 120.570 -0.010 0.000 2.441 259 I HA 0.329 4.499 4.170 -0.001 0.000 0.295 259 I C -2.111 174.004 176.117 -0.004 0.000 0.994 259 I CA -2.708 58.590 61.300 -0.003 0.000 1.144 259 I CB 2.015 40.017 38.000 0.002 0.000 1.314 259 I HN -0.212 nan 8.210 nan 0.000 0.445 260 P HA 0.008 nan 4.420 nan 0.000 0.263 260 P C -0.915 176.392 177.300 0.013 0.000 1.175 260 P CA 0.266 63.368 63.100 0.004 0.000 0.761 260 P CB 0.557 32.265 31.700 0.013 0.000 0.794 261 A N 2.395 125.219 122.820 0.006 0.000 2.423 261 A HA 0.892 5.212 4.320 -0.001 0.000 0.304 261 A C -1.064 176.550 177.584 0.051 0.000 1.104 261 A CA -0.391 51.658 52.037 0.020 0.000 0.757 261 A CB 1.805 20.796 19.000 -0.014 0.000 1.313 261 A HN 0.520 nan 8.150 nan 0.000 0.423 262 A N -0.393 122.484 122.820 0.096 0.000 2.572 262 A HA 0.940 5.260 4.320 -0.001 0.000 0.295 262 A C -0.553 177.153 177.584 0.202 0.000 1.072 262 A CA 0.039 52.177 52.037 0.169 0.000 0.691 262 A CB 1.380 20.539 19.000 0.264 0.000 1.291 262 A HN 2.551 nan 8.150 nan 0.000 0.404 263 A N 0.114 123.095 122.820 0.269 0.000 2.515 263 A HA 0.847 5.167 4.320 -0.001 0.000 0.298 263 A C -0.511 177.337 177.584 0.440 0.000 1.059 263 A CA -0.040 52.198 52.037 0.335 0.000 0.698 263 A CB 1.609 20.831 19.000 0.369 0.000 1.289 263 A HN 1.854 nan 8.150 nan 0.000 0.404 264 S N 1.179 117.138 115.700 0.432 0.000 2.640 264 S HA 0.725 5.195 4.470 -0.001 0.000 0.320 264 S C -1.480 173.376 174.600 0.428 0.000 1.097 264 S CA -0.277 58.182 58.200 0.432 0.000 1.092 264 S CB -0.186 63.196 63.200 0.305 0.000 0.988 264 S HN 0.442 nan 8.310 nan 0.000 0.470 265 F N 3.652 123.745 119.950 0.237 0.000 2.458 265 F HA 0.698 5.224 4.527 -0.000 0.000 0.330 265 F C 0.510 176.433 175.800 0.205 0.000 1.082 265 F CA -0.641 57.486 58.000 0.213 0.000 0.995 265 F CB 1.627 40.751 39.000 0.207 0.000 1.170 265 F HN 0.314 nan 8.300 nan 0.000 0.478 266 K N 2.169 122.701 120.400 0.220 0.000 2.565 266 K HA 0.189 4.509 4.320 -0.001 0.000 0.251 266 K C -0.782 175.935 176.600 0.194 0.000 0.956 266 K CA -0.552 55.847 56.287 0.187 0.000 0.809 266 K CB 1.041 33.651 32.500 0.183 0.000 1.267 266 K HN 0.686 nan 8.250 nan 0.000 0.438 267 H N 1.788 120.973 119.070 0.192 0.000 2.626 267 H HA -0.147 4.408 4.556 -0.001 0.000 0.317 267 H C 0.143 175.572 175.328 0.169 0.000 1.140 267 H CA 1.132 57.279 56.048 0.165 0.000 1.134 267 H CB -1.283 28.554 29.762 0.125 0.000 1.486 267 H HN 0.572 nan 8.280 nan 0.000 0.417 268 V N -1.610 118.496 119.914 0.320 0.000 4.654 268 V HA -0.307 3.813 4.120 -0.001 0.000 0.261 268 V C 0.643 176.921 176.094 0.306 0.000 0.471 268 V CA 1.586 64.126 62.300 0.399 0.000 0.802 268 V CB -1.897 30.101 31.823 0.291 0.000 0.768 268 V HN 0.596 nan 8.190 nan 0.000 1.286 269 S N 0.192 115.867 115.700 -0.041 0.000 2.564 269 S HA 0.694 5.164 4.470 -0.001 0.000 0.274 269 S C -2.801 171.199 174.600 -1.000 0.000 1.124 269 S CA -0.915 57.072 58.200 -0.355 0.000 0.869 269 S CB 3.321 66.472 63.200 -0.083 0.000 1.105 269 S HN 0.271 nan 8.310 nan 0.000 0.472 270 P HA 0.310 nan 4.420 nan 0.000 0.280 270 P C -0.188 176.955 177.300 -0.261 0.000 1.244 270 P CA -0.267 62.353 63.100 -0.800 0.000 0.784 270 P CB 1.167 32.662 31.700 -0.341 0.000 0.913 271 A N 3.120 125.879 122.820 -0.103 0.000 1.984 271 A HA 0.447 4.767 4.320 -0.001 0.000 0.214 271 A C 1.067 178.675 177.584 0.039 0.000 1.173 271 A CA 1.270 53.318 52.037 0.018 0.000 0.673 271 A CB -0.510 18.543 19.000 0.089 0.000 0.830 271 A HN 0.665 nan 8.150 nan 0.000 0.453 272 G N -2.625 106.206 108.800 0.052 0.000 2.646 272 G HA2 0.683 4.643 3.960 -0.001 0.000 0.291 272 G HA3 0.683 4.643 3.960 -0.001 0.000 0.291 272 G C -1.287 173.674 174.900 0.101 0.000 1.445 272 G CA 0.129 45.265 45.100 0.059 0.000 0.814 272 G HN 1.250 nan 8.290 nan 0.000 0.495 273 A N -0.983 121.886 122.820 0.082 0.000 2.582 273 A HA 1.092 5.412 4.320 -0.001 0.000 0.297 273 A C -0.475 177.150 177.584 0.068 0.000 1.059 273 A CA 0.344 52.448 52.037 0.111 0.000 0.705 273 A CB 1.239 20.321 19.000 0.137 0.000 1.279 273 A HN 2.652 nan 8.150 nan 0.000 0.404 274 A N 0.130 122.996 122.820 0.075 0.000 2.566 274 A HA 0.810 5.129 4.320 -0.001 0.000 0.290 274 A C -0.661 176.955 177.584 0.054 0.000 1.071 274 A CA 0.060 52.128 52.037 0.053 0.000 0.658 274 A CB 0.294 19.325 19.000 0.052 0.000 1.285 274 A HN 2.288 nan 8.150 nan 0.000 0.427 275 V N -1.195 118.743 119.914 0.039 0.000 2.834 275 V HA 0.820 4.939 4.120 -0.001 0.000 0.313 275 V C 0.904 177.025 176.094 0.047 0.000 1.060 275 V CA -0.078 62.243 62.300 0.034 0.000 0.989 275 V CB 1.417 33.250 31.823 0.017 0.000 1.041 275 V HN 1.819 nan 8.190 nan 0.000 0.459 276 G N 3.073 111.899 108.800 0.044 0.000 3.090 276 G HA2 0.287 4.246 3.960 -0.001 0.000 0.259 276 G HA3 0.287 4.246 3.960 -0.001 0.000 0.259 276 G C 0.140 175.069 174.900 0.047 0.000 0.797 276 G CA -0.259 44.871 45.100 0.051 0.000 2.032 276 G HN 0.489 nan 8.290 nan 0.000 0.614 277 I N 1.477 122.081 120.570 0.056 0.000 2.471 277 I HA 0.162 4.332 4.170 -0.001 0.000 0.286 277 I C -1.857 174.306 176.117 0.077 0.000 1.079 277 I CA -2.872 58.464 61.300 0.059 0.000 1.398 277 I CB 0.997 39.036 38.000 0.065 0.000 1.403 277 I HN 0.098 nan 8.210 nan 0.000 0.530 278 P HA -0.002 nan 4.420 nan 0.000 0.263 278 P C -0.496 176.881 177.300 0.128 0.000 1.175 278 P CA -0.193 62.950 63.100 0.073 0.000 0.761 278 P CB 0.340 32.072 31.700 0.055 0.000 0.794 279 L N 2.582 123.902 121.223 0.162 0.000 2.350 279 L HA 0.254 4.593 4.340 -0.001 0.000 0.275 279 L C 1.085 178.160 176.870 0.341 0.000 1.099 279 L CA 0.051 55.042 54.840 0.251 0.000 0.808 279 L CB 0.262 42.496 42.059 0.291 0.000 1.149 279 L HN 0.424 nan 8.230 nan 0.000 0.442 280 S N 1.526 117.394 115.700 0.280 0.000 2.634 280 S HA 0.228 4.698 4.470 -0.001 0.000 0.261 280 S C 0.967 175.678 174.600 0.185 0.000 1.271 280 S CA -0.513 57.835 58.200 0.246 0.000 0.985 280 S CB 0.660 63.959 63.200 0.165 0.000 0.968 280 S HN 0.624 nan 8.310 nan 0.000 0.568 281 E N 0.603 120.783 120.200 -0.032 0.000 2.058 281 E HA -0.193 4.157 4.350 -0.001 0.000 0.194 281 E C 1.312 177.741 176.600 -0.284 0.000 0.997 281 E CA 1.665 57.832 56.400 -0.389 0.000 0.801 281 E CB -0.205 29.270 29.700 -0.374 0.000 0.746 281 E HN 0.646 nan 8.360 nan 0.000 0.450 282 D N 0.518 120.816 120.400 -0.169 0.000 2.144 282 D HA -0.131 4.508 4.640 -0.001 0.000 0.200 282 D C 1.750 177.980 176.300 -0.118 0.000 0.978 282 D CA 0.871 54.769 54.000 -0.170 0.000 0.833 282 D CB -0.131 40.613 40.800 -0.094 0.000 0.961 282 D HN 0.267 nan 8.370 nan 0.000 0.470 283 E N 0.741 120.950 120.200 0.015 0.000 2.110 283 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 283 E C 2.092 178.732 176.600 0.066 0.000 0.988 283 E CA 0.912 57.353 56.400 0.068 0.000 0.804 283 E CB -0.014 29.821 29.700 0.225 0.000 0.745 283 E HN 0.173 nan 8.360 nan 0.000 0.458 284 A N 1.538 124.435 122.820 0.128 0.000 1.969 284 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 284 A C 1.911 179.559 177.584 0.107 0.000 1.169 284 A CA 1.304 53.461 52.037 0.200 0.000 0.635 284 A CB -0.212 19.038 19.000 0.417 0.000 0.810 284 A HN 0.052 nan 8.150 nan 0.000 0.445 285 K N -0.443 119.939 120.400 -0.030 0.000 2.026 285 K HA -0.076 4.244 4.320 -0.001 0.000 0.208 285 K C 1.867 178.408 176.600 -0.098 0.000 1.048 285 K CA 1.444 57.674 56.287 -0.095 0.000 0.929 285 K CB -0.450 31.897 32.500 -0.255 0.000 0.713 285 K HN 0.274 nan 8.250 nan 0.000 0.439 286 V N 1.198 121.006 119.914 -0.176 0.000 2.332 286 V HA -0.305 3.814 4.120 -0.001 0.000 0.248 286 V C 2.183 178.235 176.094 -0.070 0.000 1.055 286 V CA 1.556 63.720 62.300 -0.226 0.000 1.038 286 V CB -0.471 31.036 31.823 -0.525 0.000 0.651 286 V HN 0.445 nan 8.190 nan 0.000 0.450 287 C N -0.662 118.640 119.300 0.005 0.000 2.539 287 C HA 0.220 4.680 4.460 -0.001 0.000 0.271 287 C C 1.538 176.555 174.990 0.045 0.000 1.412 287 C CA -0.048 59.006 59.018 0.060 0.000 1.729 287 C CB -1.512 26.288 27.740 0.100 0.000 1.739 287 C HN 0.695 nan 8.230 nan 0.000 0.570 288 M N -0.846 118.773 119.600 0.032 0.000 2.537 288 M HA -0.158 4.322 4.480 -0.001 0.000 0.205 288 M C 0.447 176.783 176.300 0.060 0.000 0.450 288 M CA 0.678 55.996 55.300 0.030 0.000 0.553 288 M CB -1.820 30.782 32.600 0.003 0.000 2.046 288 M HN 0.413 nan 8.290 nan 0.000 0.797 289 V N -4.016 115.961 119.914 0.105 0.000 3.111 289 V HA 0.122 4.242 4.120 -0.001 0.000 0.343 289 V C 0.987 177.185 176.094 0.174 0.000 1.417 289 V CA -0.008 62.361 62.300 0.116 0.000 1.142 289 V CB -0.308 31.583 31.823 0.113 0.000 1.114 289 V HN 0.472 nan 8.190 nan 0.000 0.520 290 Y N 3.567 123.901 120.300 0.056 0.000 2.274 290 Y HA -0.133 4.416 4.550 -0.000 0.000 0.290 290 Y C 2.177 178.123 175.900 0.075 0.000 1.145 290 Y CA 2.151 60.284 58.100 0.055 0.000 1.203 290 Y CB 0.024 38.455 38.460 -0.048 0.000 0.984 290 Y HN 0.618 nan 8.280 nan 0.000 0.533 291 D N -0.354 120.025 120.400 -0.036 0.000 2.310 291 D HA -0.172 4.467 4.640 -0.001 0.000 0.212 291 D C 1.315 177.557 176.300 -0.096 0.000 0.965 291 D CA 1.119 55.053 54.000 -0.110 0.000 0.879 291 D CB -0.474 40.311 40.800 -0.025 0.000 0.921 291 D HN 0.497 nan 8.370 nan 0.000 0.510 292 L N -1.040 120.162 121.223 -0.034 0.000 2.693 292 L HA 0.137 4.477 4.340 -0.001 0.000 0.235 292 L C 1.732 178.606 176.870 0.007 0.000 1.127 292 L CA -0.547 54.286 54.840 -0.011 0.000 0.914 292 L CB -0.277 41.793 42.059 0.018 0.000 1.193 292 L HN -0.187 nan 8.230 nan 0.000 0.502 293 Y N 2.711 122.915 120.300 -0.159 0.000 2.038 293 Y HA -0.479 4.071 4.550 -0.001 0.000 0.266 293 Y C 2.704 178.567 175.900 -0.061 0.000 1.220 293 Y CA 2.832 60.867 58.100 -0.109 0.000 1.107 293 Y CB -0.324 38.005 38.460 -0.218 0.000 0.932 293 Y HN 0.227 nan 8.280 nan 0.000 0.500 294 K N -0.666 119.701 120.400 -0.054 0.000 2.360 294 K HA -0.090 4.230 4.320 -0.001 0.000 0.201 294 K C 1.805 178.342 176.600 -0.105 0.000 1.046 294 K CA 1.802 58.031 56.287 -0.097 0.000 0.945 294 K CB -1.653 30.830 32.500 -0.028 0.000 0.750 294 K HN 0.686 nan 8.250 nan 0.000 0.464 295 T N -1.856 112.648 114.554 -0.084 0.000 3.060 295 T HA 0.314 4.664 4.350 -0.001 0.000 0.249 295 T C 0.829 175.491 174.700 -0.064 0.000 1.079 295 T CA -0.497 61.566 62.100 -0.060 0.000 1.013 295 T CB -0.560 68.288 68.868 -0.033 0.000 0.975 295 T HN 0.314 nan 8.240 nan 0.000 0.518 296 L N 3.165 124.328 121.223 -0.101 0.000 2.516 296 L HA 0.299 4.639 4.340 -0.001 0.000 0.288 296 L C 0.971 177.803 176.870 -0.064 0.000 1.246 296 L CA 0.212 55.005 54.840 -0.078 0.000 0.844 296 L CB 0.062 42.045 42.059 -0.125 0.000 1.106 296 L HN 0.457 nan 8.230 nan 0.000 0.509 297 T N -1.670 112.870 114.554 -0.024 0.000 2.841 297 T HA 0.392 4.741 4.350 -0.001 0.000 0.296 297 T C -2.291 172.413 174.700 0.007 0.000 1.166 297 T CA -1.632 60.460 62.100 -0.013 0.000 1.007 297 T CB 1.921 70.788 68.868 -0.002 0.000 1.253 297 T HN 0.184 nan 8.240 nan 0.000 0.511 298 P HA -0.084 nan 4.420 nan 0.000 0.214 298 P C 1.574 178.898 177.300 0.040 0.000 1.169 298 P CA 0.599 63.713 63.100 0.022 0.000 0.908 298 P CB -0.057 31.652 31.700 0.015 0.000 0.791 299 I N -0.348 120.245 120.570 0.039 0.000 2.315 299 I HA -0.207 3.962 4.170 -0.001 0.000 0.248 299 I C 2.027 178.202 176.117 0.097 0.000 1.117 299 I CA 1.828 63.163 61.300 0.058 0.000 1.404 299 I CB -0.937 37.085 38.000 0.037 0.000 1.071 299 I HN -0.066 nan 8.210 nan 0.000 0.419 300 S N 0.552 116.303 115.700 0.085 0.000 2.406 300 S HA -0.007 4.463 4.470 -0.001 0.000 0.228 300 S C 2.186 176.863 174.600 0.127 0.000 1.020 300 S CA 0.672 58.943 58.200 0.119 0.000 0.965 300 S CB -0.903 62.346 63.200 0.080 0.000 0.798 300 S HN 0.456 nan 8.310 nan 0.000 0.488 301 A N 1.838 124.711 122.820 0.089 0.000 1.968 301 A HA 0.461 4.781 4.320 -0.001 0.000 0.217 301 A C 2.480 180.125 177.584 0.101 0.000 1.169 301 A CA 1.335 53.425 52.037 0.088 0.000 0.638 301 A CB -1.300 17.740 19.000 0.066 0.000 0.812 301 A HN 0.794 nan 8.150 nan 0.000 0.446 302 A N -1.306 121.578 122.820 0.107 0.000 1.902 302 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 302 A C 2.147 179.818 177.584 0.145 0.000 1.181 302 A CA 1.665 53.769 52.037 0.112 0.000 0.623 302 A CB -0.795 18.267 19.000 0.103 0.000 0.818 302 A HN 0.677 nan 8.150 nan 0.000 0.443 303 Y N 0.696 121.041 120.300 0.075 0.000 2.242 303 Y HA 0.009 4.559 4.550 -0.001 0.000 0.291 303 Y C 2.597 178.557 175.900 0.100 0.000 1.137 303 Y CA 0.729 58.881 58.100 0.086 0.000 1.181 303 Y CB -0.635 37.871 38.460 0.076 0.000 0.989 303 Y HN 0.303 nan 8.280 nan 0.000 0.527 304 A N 0.548 123.335 122.820 -0.054 0.000 1.940 304 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 304 A C 2.339 179.890 177.584 -0.056 0.000 1.176 304 A CA 1.879 53.863 52.037 -0.087 0.000 0.631 304 A CB -0.553 18.479 19.000 0.053 0.000 0.814 304 A HN 0.521 nan 8.150 nan 0.000 0.446 305 R N -0.719 119.794 120.500 0.022 0.000 2.115 305 R HA 0.044 4.384 4.340 -0.001 0.000 0.226 305 R C 2.478 178.797 176.300 0.032 0.000 1.100 305 R CA 0.964 57.115 56.100 0.084 0.000 0.980 305 R CB -0.382 29.985 30.300 0.111 0.000 0.875 305 R HN 0.512 nan 8.270 nan 0.000 0.445 306 A N 1.220 124.022 122.820 -0.030 0.000 1.858 306 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 306 A C 2.111 179.656 177.584 -0.064 0.000 1.190 306 A CA 1.235 53.264 52.037 -0.014 0.000 0.617 306 A CB -0.417 18.623 19.000 0.067 0.000 0.827 306 A HN 0.176 nan 8.150 nan 0.000 0.443 307 R N -0.661 119.666 120.500 -0.289 0.000 2.148 307 R HA -0.059 4.280 4.340 -0.001 0.000 0.223 307 R C 1.974 178.251 176.300 -0.039 0.000 1.088 307 R CA 1.031 56.998 56.100 -0.223 0.000 0.985 307 R CB -0.399 29.590 30.300 -0.518 0.000 0.880 307 R HN 0.488 nan 8.270 nan 0.000 0.451 308 G N -0.516 108.285 108.800 0.001 0.000 2.650 308 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.214 308 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.214 308 G C 1.335 176.396 174.900 0.268 0.000 1.136 308 G CA 0.481 45.664 45.100 0.138 0.000 0.789 308 G HN 0.383 nan 8.290 nan 0.000 0.536 309 A N 0.047 122.981 122.820 0.190 0.000 1.865 309 A HA 0.002 4.321 4.320 -0.001 0.000 0.217 309 A C 1.187 178.924 177.584 0.255 0.000 1.191 309 A CA 1.608 53.752 52.037 0.178 0.000 0.623 309 A CB -0.009 19.016 19.000 0.041 0.000 0.826 309 A HN 0.291 nan 8.150 nan 0.000 0.444 310 D N -2.267 118.248 120.400 0.191 0.000 2.323 310 D HA 0.284 4.923 4.640 -0.001 0.000 0.242 310 D C 0.588 176.988 176.300 0.167 0.000 1.347 310 D CA -0.415 53.700 54.000 0.192 0.000 0.988 310 D CB 0.576 41.474 40.800 0.163 0.000 1.314 310 D HN 0.200 nan 8.370 nan 0.000 0.564 311 R N 2.000 122.600 120.500 0.166 0.000 2.120 311 R HA -0.011 4.329 4.340 -0.001 0.000 0.234 311 R C 2.005 178.416 176.300 0.186 0.000 1.123 311 R CA 1.140 57.335 56.100 0.158 0.000 0.975 311 R CB 0.234 30.616 30.300 0.137 0.000 0.866 311 R HN 0.464 nan 8.270 nan 0.000 0.446 312 M N -0.389 119.305 119.600 0.157 0.000 2.200 312 M HA -0.086 4.394 4.480 -0.001 0.000 0.265 312 M C 2.019 178.425 176.300 0.177 0.000 1.066 312 M CA 1.438 56.823 55.300 0.140 0.000 1.127 312 M CB 0.069 32.714 32.600 0.075 0.000 1.379 312 M HN 0.032 nan 8.290 nan 0.000 0.420 313 S N -0.117 115.683 115.700 0.166 0.000 2.428 313 S HA -0.029 4.440 4.470 -0.001 0.000 0.230 313 S C 1.860 176.585 174.600 0.208 0.000 1.014 313 S CA 0.909 59.213 58.200 0.174 0.000 0.957 313 S CB -0.071 63.213 63.200 0.141 0.000 0.784 313 S HN 0.357 nan 8.310 nan 0.000 0.499 314 S N 0.893 116.718 115.700 0.208 0.000 2.562 314 S HA 0.212 4.681 4.470 -0.001 0.000 0.221 314 S C 0.292 175.030 174.600 0.231 0.000 0.975 314 S CA -0.246 58.079 58.200 0.207 0.000 0.918 314 S CB -0.252 63.047 63.200 0.165 0.000 0.772 314 S HN 0.519 nan 8.310 nan 0.000 0.531 315 F N 2.795 122.815 119.950 0.116 0.000 2.538 315 F HA 0.385 4.912 4.527 -0.000 0.000 0.382 315 F C 1.265 177.135 175.800 0.116 0.000 1.069 315 F CA 0.469 58.533 58.000 0.106 0.000 1.138 315 F CB -0.274 38.781 39.000 0.091 0.000 1.068 315 F HN 0.241 nan 8.300 nan 0.000 0.556 316 G N 3.905 112.600 108.800 -0.174 0.000 2.160 316 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.244 316 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.244 316 G C -0.197 174.764 174.900 0.101 0.000 1.022 316 G CA 0.069 45.150 45.100 -0.033 0.000 0.741 316 G HN 0.991 nan 8.290 nan 0.000 0.508 317 D N -0.734 119.743 120.400 0.128 0.000 2.363 317 D HA 0.459 5.099 4.640 -0.001 0.000 0.240 317 D C -0.108 176.304 176.300 0.188 0.000 1.236 317 D CA -0.728 53.396 54.000 0.207 0.000 0.927 317 D CB 0.681 41.631 40.800 0.249 0.000 1.150 317 D HN 0.119 nan 8.370 nan 0.000 0.458 318 F N 0.497 120.558 119.950 0.186 0.000 2.426 318 F HA 0.333 4.859 4.527 -0.001 0.000 0.348 318 F C -0.633 175.267 175.800 0.167 0.000 1.124 318 F CA -0.914 57.163 58.000 0.127 0.000 1.008 318 F CB 1.319 40.370 39.000 0.085 0.000 1.139 318 F HN 0.111 nan 8.300 nan 0.000 0.452 319 V N 5.279 125.182 119.914 -0.018 0.000 2.546 319 V HA 0.750 4.869 4.120 -0.001 0.000 0.284 319 V C 0.070 176.269 176.094 0.174 0.000 1.050 319 V CA -0.515 61.837 62.300 0.087 0.000 0.981 319 V CB 0.950 32.649 31.823 -0.206 0.000 0.990 319 V HN 0.906 nan 8.190 nan 0.000 0.474 320 A N 5.684 128.626 122.820 0.203 0.000 2.393 320 A HA 0.910 5.230 4.320 -0.001 0.000 0.306 320 A C -1.087 176.589 177.584 0.154 0.000 1.050 320 A CA -0.587 51.572 52.037 0.202 0.000 0.724 320 A CB 1.218 20.321 19.000 0.172 0.000 1.248 320 A HN 0.761 nan 8.150 nan 0.000 0.424 321 L N 1.945 123.258 121.223 0.151 0.000 2.386 321 L HA 0.437 4.777 4.340 -0.001 0.000 0.271 321 L C 1.318 178.253 176.870 0.108 0.000 0.993 321 L CA -0.521 54.374 54.840 0.092 0.000 0.819 321 L CB 2.327 44.400 42.059 0.024 0.000 1.294 321 L HN 0.896 nan 8.230 nan 0.000 0.414 322 S N -0.946 114.759 115.700 0.008 0.000 2.496 322 S HA 0.083 4.553 4.470 -0.001 0.000 0.224 322 S C 0.187 174.795 174.600 0.014 0.000 0.996 322 S CA 0.211 58.367 58.200 -0.073 0.000 0.927 322 S CB -0.115 63.010 63.200 -0.125 0.000 0.774 322 S HN 0.719 nan 8.310 nan 0.000 0.524 323 D N 0.088 120.498 120.400 0.018 0.000 2.493 323 D HA 0.526 5.166 4.640 -0.001 0.000 0.239 323 D C -0.978 175.295 176.300 -0.045 0.000 1.049 323 D CA -0.692 53.309 54.000 0.001 0.000 1.008 323 D CB 1.695 42.492 40.800 -0.005 0.000 1.398 323 D HN -0.054 nan 8.370 nan 0.000 0.513 324 V N 1.015 120.892 119.914 -0.062 0.000 2.644 324 V HA -0.092 4.027 4.120 -0.001 0.000 0.305 324 V C 0.546 176.565 176.094 -0.124 0.000 1.053 324 V CA -0.235 61.990 62.300 -0.125 0.000 1.186 324 V CB 0.411 32.192 31.823 -0.070 0.000 0.895 324 V HN 0.704 nan 8.190 nan 0.000 0.490 325 C N 7.282 126.450 119.300 -0.219 0.000 2.627 325 C HA 0.368 4.827 4.460 -0.001 0.000 0.404 325 C C 0.467 175.452 174.990 -0.007 0.000 1.340 325 C CA -0.725 58.233 59.018 -0.100 0.000 1.758 325 C CB -1.154 26.546 27.740 -0.068 0.000 2.501 325 C HN 1.052 nan 8.230 nan 0.000 0.588 326 D N 4.067 124.471 120.400 0.008 0.000 2.478 326 D HA 0.236 4.876 4.640 -0.001 0.000 0.263 326 D C 0.971 177.289 176.300 0.029 0.000 1.153 326 D CA -0.728 53.283 54.000 0.019 0.000 1.038 326 D CB 0.478 41.284 40.800 0.011 0.000 1.120 326 D HN 0.253 nan 8.370 nan 0.000 0.564 327 V N 0.006 119.933 119.914 0.022 0.000 2.343 327 V HA -0.118 4.002 4.120 -0.001 0.000 0.247 327 V C -0.889 175.215 176.094 0.016 0.000 1.051 327 V CA 1.870 64.180 62.300 0.017 0.000 1.036 327 V CB -1.562 30.266 31.823 0.009 0.000 0.654 327 V HN 0.549 nan 8.190 nan 0.000 0.451 328 P HA -0.113 nan 4.420 nan 0.000 0.215 328 P C 1.826 179.153 177.300 0.046 0.000 1.153 328 P CA 1.722 64.837 63.100 0.024 0.000 0.853 328 P CB -0.193 31.519 31.700 0.020 0.000 0.788 329 T N -0.640 113.945 114.554 0.051 0.000 2.746 329 T HA -0.122 4.227 4.350 -0.001 0.000 0.267 329 T C 1.907 176.625 174.700 0.031 0.000 1.039 329 T CA 1.590 63.731 62.100 0.068 0.000 1.142 329 T CB -0.969 67.925 68.868 0.044 0.000 0.866 329 T HN 0.041 nan 8.240 nan 0.000 0.444 330 A N 1.721 124.551 122.820 0.017 0.000 1.933 330 A HA -0.117 4.202 4.320 -0.001 0.000 0.218 330 A C 2.264 179.834 177.584 -0.024 0.000 1.175 330 A CA 1.536 53.569 52.037 -0.007 0.000 0.628 330 A CB -0.419 18.585 19.000 0.007 0.000 0.814 330 A HN 0.445 nan 8.150 nan 0.000 0.444 331 K N -0.443 119.954 120.400 -0.004 0.000 2.097 331 K HA 0.021 4.340 4.320 -0.001 0.000 0.205 331 K C 1.771 178.374 176.600 0.006 0.000 1.050 331 K CA 1.248 57.530 56.287 -0.009 0.000 0.938 331 K CB -0.287 32.212 32.500 -0.002 0.000 0.718 331 K HN 0.530 nan 8.250 nan 0.000 0.442 332 I N 0.967 121.565 120.570 0.047 0.000 2.179 332 I HA -0.289 3.881 4.170 -0.001 0.000 0.242 332 I C 2.204 178.378 176.117 0.096 0.000 1.088 332 I CA 1.439 62.797 61.300 0.098 0.000 1.357 332 I CB -0.313 37.804 38.000 0.196 0.000 1.051 332 I HN 0.133 nan 8.210 nan 0.000 0.409 333 I N -0.051 120.552 120.570 0.055 0.000 2.315 333 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 333 I C 2.775 178.818 176.117 -0.124 0.000 1.117 333 I CA 1.013 62.300 61.300 -0.021 0.000 1.404 333 I CB -0.329 37.588 38.000 -0.139 0.000 1.071 333 I HN 0.194 nan 8.210 nan 0.000 0.419 334 S N 1.607 117.228 115.700 -0.133 0.000 2.383 334 S HA -0.212 4.257 4.470 -0.001 0.000 0.229 334 S C 1.960 176.482 174.600 -0.129 0.000 1.030 334 S CA 1.511 59.611 58.200 -0.167 0.000 1.002 334 S CB -0.209 62.920 63.200 -0.119 0.000 0.829 334 S HN 0.533 nan 8.310 nan 0.000 0.467 335 R N -0.032 120.423 120.500 -0.075 0.000 2.426 335 R HA 0.312 4.652 4.340 -0.001 0.000 0.263 335 R C -0.265 176.004 176.300 -0.052 0.000 0.961 335 R CA -0.153 55.911 56.100 -0.059 0.000 1.086 335 R CB 0.093 30.371 30.300 -0.036 0.000 1.186 335 R HN 0.269 nan 8.270 nan 0.000 0.537 336 E N 0.852 121.012 120.200 -0.066 0.000 2.339 336 E HA 0.292 4.641 4.350 -0.001 0.000 0.262 336 E C -0.807 175.706 176.600 -0.145 0.000 0.934 336 E CA -1.197 55.163 56.400 -0.067 0.000 0.802 336 E CB 2.501 32.201 29.700 0.000 0.000 1.275 336 E HN -0.131 nan 8.360 nan 0.000 0.427 337 V N 1.389 121.154 119.914 -0.249 0.000 2.408 337 V HA 0.299 4.418 4.120 -0.001 0.000 0.267 337 V C 0.233 176.160 176.094 -0.279 0.000 1.047 337 V CA 0.020 62.086 62.300 -0.390 0.000 0.937 337 V CB 0.927 32.190 31.823 -0.934 0.000 0.999 337 V HN 0.526 nan 8.190 nan 0.000 0.472 338 S N 2.550 118.178 115.700 -0.119 0.000 2.549 338 S HA 0.441 4.910 4.470 -0.001 0.000 0.280 338 S C 0.234 174.910 174.600 0.128 0.000 1.109 338 S CA -0.623 57.592 58.200 0.026 0.000 0.905 338 S CB 2.048 65.303 63.200 0.092 0.000 1.081 338 S HN 0.732 nan 8.310 nan 0.000 0.477 339 D N 1.777 122.200 120.400 0.038 0.000 2.305 339 D HA 0.355 4.995 4.640 -0.001 0.000 0.206 339 D C 0.829 176.926 176.300 -0.339 0.000 0.974 339 D CA 1.424 55.414 54.000 -0.016 0.000 0.871 339 D CB 0.575 41.436 40.800 0.103 0.000 0.947 339 D HN 0.820 nan 8.370 nan 0.000 0.516 340 G N -0.423 107.916 108.800 -0.769 0.000 2.320 340 G HA2 0.336 4.296 3.960 -0.001 0.000 0.297 340 G HA3 0.336 4.296 3.960 -0.001 0.000 0.297 340 G C -1.894 172.036 174.900 -1.617 0.000 1.344 340 G CA -0.676 43.527 45.100 -1.495 0.000 0.851 340 G HN 0.092 nan 8.290 nan 0.000 0.567 341 I N -0.469 119.420 120.570 -1.135 0.000 2.913 341 I HA 0.835 5.005 4.170 -0.001 0.000 0.302 341 I C -1.579 174.569 176.117 0.050 0.000 1.246 341 I CA -1.373 59.658 61.300 -0.448 0.000 1.010 341 I CB 2.171 40.118 38.000 -0.087 0.000 1.259 341 I HN 0.763 nan 8.210 nan 0.000 0.434 342 I N 6.325 127.041 120.570 0.243 0.000 2.582 342 I HA 0.869 5.038 4.170 -0.001 0.000 0.292 342 I C -1.215 174.988 176.117 0.145 0.000 1.066 342 I CA -0.173 61.258 61.300 0.218 0.000 1.053 342 I CB 1.707 39.819 38.000 0.186 0.000 1.241 342 I HN 0.790 nan 8.210 nan 0.000 0.421 343 A N 7.440 130.264 122.820 0.007 0.000 2.586 343 A HA 0.682 5.002 4.320 -0.001 0.000 0.290 343 A C -2.695 174.770 177.584 -0.198 0.000 1.086 343 A CA -0.832 51.161 52.037 -0.074 0.000 0.665 343 A CB 1.306 20.088 19.000 -0.363 0.000 1.279 343 A HN 0.479 nan 8.150 nan 0.000 0.423 344 P HA 0.186 nan 4.420 nan 0.000 0.229 344 P C 0.725 177.949 177.300 -0.127 0.000 1.160 344 P CA 1.628 64.686 63.100 -0.070 0.000 0.777 344 P CB 0.471 32.245 31.700 0.123 0.000 0.814 345 G N -1.502 107.133 108.800 -0.276 0.000 2.451 345 G HA2 0.497 4.457 3.960 -0.001 0.000 0.292 345 G HA3 0.497 4.457 3.960 -0.001 0.000 0.292 345 G C -2.367 172.230 174.900 -0.505 0.000 1.427 345 G CA -0.576 44.388 45.100 -0.226 0.000 0.792 345 G HN -0.100 nan 8.290 nan 0.000 0.498 346 Y N -0.104 120.193 120.300 -0.006 0.000 2.433 346 Y HA 0.493 5.043 4.550 -0.001 0.000 0.337 346 Y C 0.308 176.204 175.900 -0.006 0.000 1.026 346 Y CA -0.808 57.289 58.100 -0.006 0.000 1.037 346 Y CB 2.358 40.811 38.460 -0.012 0.000 1.245 346 Y HN 0.618 nan 8.280 nan 0.000 0.443 347 E N 2.258 122.528 120.200 0.118 0.000 2.392 347 E HA 0.009 4.359 4.350 -0.001 0.000 0.264 347 E C 0.473 177.125 176.600 0.086 0.000 1.024 347 E CA 0.116 56.560 56.400 0.073 0.000 0.903 347 E CB 0.759 30.486 29.700 0.047 0.000 0.963 347 E HN 0.778 nan 8.360 nan 0.000 0.432 348 E N 2.452 122.684 120.200 0.053 0.000 2.086 348 E HA -0.311 4.039 4.350 -0.001 0.000 0.200 348 E C 1.668 178.283 176.600 0.025 0.000 1.012 348 E CA 1.444 57.866 56.400 0.036 0.000 0.812 348 E CB 0.044 29.755 29.700 0.019 0.000 0.743 348 E HN 0.595 nan 8.360 nan 0.000 0.453 349 E N 0.387 120.600 120.200 0.021 0.000 2.106 349 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 349 E C 2.051 178.660 176.600 0.015 0.000 0.984 349 E CA 0.815 57.222 56.400 0.011 0.000 0.806 349 E CB -0.031 29.673 29.700 0.007 0.000 0.750 349 E HN 0.232 nan 8.360 nan 0.000 0.458 350 A N 0.951 123.795 122.820 0.041 0.000 1.933 350 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 350 A C 2.091 179.702 177.584 0.046 0.000 1.175 350 A CA 1.151 53.225 52.037 0.061 0.000 0.628 350 A CB -0.551 18.519 19.000 0.117 0.000 0.814 350 A HN 0.369 nan 8.150 nan 0.000 0.444 351 L N -0.174 121.071 121.223 0.036 0.000 2.056 351 L HA -0.083 4.256 4.340 -0.001 0.000 0.207 351 L C 2.390 179.219 176.870 -0.069 0.000 1.078 351 L CA 2.779 57.583 54.840 -0.061 0.000 0.749 351 L CB -1.015 41.008 42.059 -0.061 0.000 0.901 351 L HN 0.368 nan 8.230 nan 0.000 0.433 352 T N -0.417 114.113 114.554 -0.039 0.000 2.951 352 T HA -0.047 4.302 4.350 -0.001 0.000 0.268 352 T C 1.996 176.667 174.700 -0.047 0.000 1.073 352 T CA 1.515 63.590 62.100 -0.041 0.000 1.134 352 T CB -0.220 68.631 68.868 -0.028 0.000 0.884 352 T HN 0.281 nan 8.240 nan 0.000 0.479 353 I N 0.807 121.350 120.570 -0.045 0.000 2.163 353 I HA -0.104 4.066 4.170 -0.001 0.000 0.240 353 I C 2.240 178.299 176.117 -0.098 0.000 1.081 353 I CA 1.241 62.504 61.300 -0.061 0.000 1.353 353 I CB -0.368 37.603 38.000 -0.048 0.000 1.054 353 I HN 0.172 nan 8.210 nan 0.000 0.407 354 L N -0.009 121.156 121.223 -0.097 0.000 2.079 354 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 354 L C 2.477 179.298 176.870 -0.082 0.000 1.081 354 L CA 1.170 55.926 54.840 -0.139 0.000 0.752 354 L CB -0.610 41.424 42.059 -0.042 0.000 0.896 354 L HN 0.178 nan 8.230 nan 0.000 0.433 355 S N -0.765 114.906 115.700 -0.049 0.000 2.507 355 S HA -0.108 4.361 4.470 -0.001 0.000 0.235 355 S C 1.809 176.394 174.600 -0.024 0.000 0.988 355 S CA 0.790 58.980 58.200 -0.017 0.000 0.944 355 S CB -0.043 63.128 63.200 -0.049 0.000 0.762 355 S HN 0.216 nan 8.310 nan 0.000 0.526 356 K N 1.711 122.075 120.400 -0.060 0.000 2.243 356 K HA 0.177 4.496 4.320 -0.001 0.000 0.201 356 K C 0.432 176.987 176.600 -0.074 0.000 1.051 356 K CA 0.452 56.703 56.287 -0.060 0.000 0.970 356 K CB 0.075 32.535 32.500 -0.067 0.000 0.755 356 K HN 0.258 nan 8.250 nan 0.000 0.465 357 K N 1.363 121.679 120.400 -0.139 0.000 2.518 357 K HA -0.043 4.276 4.320 -0.001 0.000 0.276 357 K C -0.319 176.256 176.600 -0.042 0.000 0.974 357 K CA 0.529 56.707 56.287 -0.182 0.000 0.986 357 K CB 0.206 32.397 32.500 -0.515 0.000 0.901 357 K HN 0.019 nan 8.250 nan 0.000 0.497 358 K N 1.953 122.336 120.400 -0.029 0.000 3.148 358 K HA -0.350 3.969 4.320 -0.001 0.000 0.267 358 K C -0.356 176.254 176.600 0.016 0.000 0.996 358 K CA 0.858 57.156 56.287 0.019 0.000 0.737 358 K CB -1.713 30.832 32.500 0.074 0.000 1.308 358 K HN 1.004 nan 8.250 nan 0.000 0.470 359 N N -0.831 117.867 118.700 -0.003 0.000 2.721 359 N HA -0.268 4.471 4.740 -0.001 0.000 0.249 359 N C 0.567 176.077 175.510 0.001 0.000 1.072 359 N CA 0.825 53.873 53.050 -0.002 0.000 0.710 359 N CB -0.803 37.687 38.487 0.005 0.000 0.993 359 N HN 0.915 nan 8.380 nan 0.000 0.547 360 G N -0.834 107.967 108.800 0.002 0.000 2.157 360 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.248 360 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.248 360 G C 0.431 175.342 174.900 0.018 0.000 0.979 360 G CA 0.388 45.491 45.100 0.005 0.000 0.650 360 G HN 0.554 nan 8.290 nan 0.000 0.529 361 N N -0.651 118.071 118.700 0.037 0.000 2.205 361 N HA 0.130 4.870 4.740 -0.001 0.000 0.201 361 N C 0.410 175.952 175.510 0.054 0.000 1.128 361 N CA -0.322 52.748 53.050 0.032 0.000 0.867 361 N CB 0.258 38.760 38.487 0.025 0.000 0.996 361 N HN 0.520 nan 8.380 nan 0.000 0.503 362 Y N 2.108 122.368 120.300 -0.067 0.000 2.721 362 Y HA -0.081 4.469 4.550 -0.001 0.000 0.329 362 Y C 0.581 176.422 175.900 -0.098 0.000 1.211 362 Y CA -0.574 57.473 58.100 -0.088 0.000 1.512 362 Y CB 0.277 38.671 38.460 -0.109 0.000 1.249 362 Y HN 0.058 nan 8.280 nan 0.000 0.549 363 C N 8.112 127.091 119.300 -0.535 0.000 2.619 363 C HA 0.467 4.927 4.460 -0.001 0.000 0.389 363 C C -0.431 174.227 174.990 -0.552 0.000 1.314 363 C CA -0.579 58.189 59.018 -0.417 0.000 1.678 363 C CB -2.227 25.372 27.740 -0.235 0.000 2.398 363 C HN 0.614 nan 8.230 nan 0.000 0.582 364 V N 8.741 128.468 119.914 -0.312 0.000 2.407 364 V HA 0.453 4.573 4.120 -0.001 0.000 0.291 364 V C -0.076 175.921 176.094 -0.162 0.000 1.018 364 V CA -0.287 61.843 62.300 -0.283 0.000 0.842 364 V CB 1.372 32.985 31.823 -0.351 0.000 0.996 364 V HN 0.741 nan 8.190 nan 0.000 0.426 365 L N 4.532 125.737 121.223 -0.030 0.000 2.346 365 L HA 0.643 4.983 4.340 -0.001 0.000 0.276 365 L C -0.319 176.619 176.870 0.112 0.000 1.006 365 L CA -0.498 54.349 54.840 0.012 0.000 0.817 365 L CB 2.037 44.102 42.059 0.009 0.000 1.272 365 L HN 0.613 nan 8.230 nan 0.000 0.421 366 Q N 3.091 122.915 119.800 0.040 0.000 2.333 366 Q HA 0.517 4.856 4.340 -0.001 0.000 0.265 366 Q C -1.089 174.801 176.000 -0.184 0.000 0.989 366 Q CA -0.815 55.006 55.803 0.030 0.000 0.842 366 Q CB 1.957 30.744 28.738 0.080 0.000 1.262 366 Q HN 0.562 nan 8.270 nan 0.000 0.451 367 M N 3.669 123.049 119.600 -0.367 0.000 2.300 367 M HA 0.260 4.740 4.480 -0.001 0.000 0.348 367 M C -1.116 174.917 176.300 -0.444 0.000 1.151 367 M CA -0.517 54.418 55.300 -0.609 0.000 1.046 367 M CB 1.424 33.221 32.600 -1.338 0.000 1.647 367 M HN 0.527 nan 8.290 nan 0.000 0.451 368 D N 3.036 123.259 120.400 -0.294 0.000 2.349 368 D HA 0.002 4.642 4.640 -0.001 0.000 0.266 368 D C 0.708 177.027 176.300 0.031 0.000 1.293 368 D CA 0.524 54.467 54.000 -0.095 0.000 0.926 368 D CB 0.767 41.543 40.800 -0.039 0.000 1.090 368 D HN 0.825 nan 8.370 nan 0.000 0.502 369 Q N 2.482 122.349 119.800 0.112 0.000 2.197 369 Q HA -0.220 4.120 4.340 -0.001 0.000 0.207 369 Q C 1.658 177.805 176.000 0.246 0.000 0.984 369 Q CA 2.025 58.007 55.803 0.299 0.000 0.869 369 Q CB 0.048 28.916 28.738 0.216 0.000 0.906 369 Q HN 0.519 nan 8.270 nan 0.000 0.426 370 S N -1.365 114.432 115.700 0.160 0.000 2.527 370 S HA -0.073 4.396 4.470 -0.001 0.000 0.222 370 S C 0.407 175.086 174.600 0.132 0.000 0.985 370 S CA -0.510 57.763 58.200 0.121 0.000 0.921 370 S CB -0.312 62.934 63.200 0.078 0.000 0.772 370 S HN 0.470 nan 8.310 nan 0.000 0.529 371 Y N 3.086 123.419 120.300 0.055 0.000 2.620 371 Y HA 0.390 4.939 4.550 -0.001 0.000 0.330 371 Y C -0.017 175.923 175.900 0.067 0.000 1.186 371 Y CA 0.042 58.165 58.100 0.038 0.000 1.467 371 Y CB 0.356 38.818 38.460 0.002 0.000 1.262 371 Y HN 0.080 nan 8.280 nan 0.000 0.550 372 K N 8.210 128.189 120.400 -0.702 0.000 2.378 372 K HA 0.392 4.712 4.320 -0.001 0.000 0.252 372 K C -2.585 173.509 176.600 -0.843 0.000 0.931 372 K CA -2.044 53.907 56.287 -0.560 0.000 0.794 372 K CB 1.770 34.129 32.500 -0.235 0.000 1.181 372 K HN 0.526 nan 8.250 nan 0.000 0.425 373 P HA 0.079 nan 4.420 nan 0.000 0.274 373 P C -0.783 176.431 177.300 -0.144 0.000 1.237 373 P CA -0.298 62.638 63.100 -0.272 0.000 0.793 373 P CB 0.690 32.366 31.700 -0.041 0.000 0.977 374 D N 1.119 121.478 120.400 -0.067 0.000 2.382 374 D HA -0.008 4.631 4.640 -0.001 0.000 0.240 374 D C 1.361 177.648 176.300 -0.022 0.000 1.146 374 D CA 0.140 54.117 54.000 -0.037 0.000 0.897 374 D CB 0.958 41.753 40.800 -0.008 0.000 1.197 374 D HN 0.411 nan 8.370 nan 0.000 0.432 375 E N 0.326 120.515 120.200 -0.018 0.000 2.204 375 E HA -0.105 4.245 4.350 -0.001 0.000 0.194 375 E C 0.800 177.404 176.600 0.006 0.000 0.989 375 E CA 0.444 56.839 56.400 -0.008 0.000 0.824 375 E CB 0.219 29.912 29.700 -0.011 0.000 0.756 375 E HN 0.349 nan 8.360 nan 0.000 0.477 376 N N 1.536 120.240 118.700 0.007 0.000 2.498 376 N HA 0.013 4.753 4.740 -0.001 0.000 0.287 376 N C -1.086 174.437 175.510 0.023 0.000 1.097 376 N CA 0.067 53.126 53.050 0.015 0.000 0.973 376 N CB 0.996 39.489 38.487 0.010 0.000 1.153 376 N HN 0.011 nan 8.380 nan 0.000 0.472 377 E N 0.814 121.033 120.200 0.032 0.000 2.340 377 E HA 0.555 4.905 4.350 -0.001 0.000 0.273 377 E C -1.288 175.340 176.600 0.047 0.000 0.891 377 E CA -0.991 55.432 56.400 0.039 0.000 0.757 377 E CB 1.873 31.604 29.700 0.051 0.000 1.231 377 E HN 0.126 nan 8.360 nan 0.000 0.439 378 V N 1.490 121.432 119.914 0.047 0.000 2.823 378 V HA 0.646 4.766 4.120 -0.001 0.000 0.312 378 V C -0.418 175.727 176.094 0.085 0.000 1.072 378 V CA -0.886 61.454 62.300 0.066 0.000 0.937 378 V CB 1.784 33.638 31.823 0.050 0.000 1.013 378 V HN 0.832 nan 8.190 nan 0.000 0.430 379 R N 0.847 121.416 120.500 0.114 0.000 2.771 379 R HA 0.796 5.136 4.340 -0.001 0.000 0.274 379 R C -1.239 175.155 176.300 0.157 0.000 0.987 379 R CA -0.621 55.552 56.100 0.122 0.000 0.908 379 R CB 2.002 32.362 30.300 0.100 0.000 1.213 379 R HN 0.502 nan 8.270 nan 0.000 0.468 380 T N 2.740 117.386 114.554 0.154 0.000 2.794 380 T HA 0.435 4.784 4.350 -0.001 0.000 0.280 380 T C -1.203 173.539 174.700 0.070 0.000 0.987 380 T CA -0.575 61.596 62.100 0.119 0.000 0.993 380 T CB 1.051 70.006 68.868 0.145 0.000 0.939 380 T HN 0.389 nan 8.240 nan 0.000 0.449 381 L N 5.000 126.243 121.223 0.034 0.000 2.404 381 L HA 0.552 4.891 4.340 -0.001 0.000 0.272 381 L C -0.319 176.632 176.870 0.136 0.000 0.980 381 L CA -0.952 53.934 54.840 0.076 0.000 0.836 381 L CB 0.498 42.594 42.059 0.062 0.000 1.238 381 L HN 0.710 nan 8.230 nan 0.000 0.408 382 F N 5.784 125.710 119.950 -0.041 0.000 3.067 382 F HA -0.121 4.406 4.527 -0.000 0.000 0.279 382 F C 1.319 177.078 175.800 -0.069 0.000 0.945 382 F CA 1.589 59.563 58.000 -0.044 0.000 0.948 382 F CB -1.033 37.944 39.000 -0.040 0.000 0.898 382 F HN 1.058 nan 8.300 nan 0.000 0.746 383 G N -0.175 108.541 108.800 -0.141 0.000 2.212 383 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.266 383 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.266 383 G C 0.410 175.088 174.900 -0.369 0.000 0.978 383 G CA 0.331 45.284 45.100 -0.245 0.000 0.632 383 G HN 0.751 nan 8.290 nan 0.000 0.537 384 L N 0.571 121.600 121.223 -0.323 0.000 2.400 384 L HA 0.655 4.994 4.340 -0.001 0.000 0.264 384 L C 0.299 176.847 176.870 -0.537 0.000 1.061 384 L CA -1.316 53.279 54.840 -0.407 0.000 0.799 384 L CB 1.065 43.045 42.059 -0.131 0.000 1.240 384 L HN 0.088 nan 8.230 nan 0.000 0.461 385 H N 2.128 121.219 119.070 0.035 0.000 2.539 385 H HA 0.445 5.001 4.556 -0.001 0.000 0.332 385 H C -0.879 174.472 175.328 0.039 0.000 1.031 385 H CA -0.496 55.575 56.048 0.039 0.000 1.206 385 H CB 1.893 31.676 29.762 0.034 0.000 1.446 385 H HN 0.309 nan 8.280 nan 0.000 0.496 386 L N 2.552 123.858 121.223 0.138 0.000 2.280 386 L HA 0.251 4.591 4.340 -0.001 0.000 0.287 386 L C 0.432 177.360 176.870 0.097 0.000 1.023 386 L CA -0.424 54.474 54.840 0.096 0.000 0.819 386 L CB 1.463 43.566 42.059 0.073 0.000 1.212 386 L HN 0.443 nan 8.230 nan 0.000 0.420 387 S N 4.094 119.843 115.700 0.081 0.000 2.537 387 S HA 0.805 5.275 4.470 -0.001 0.000 0.301 387 S C -0.869 173.763 174.600 0.052 0.000 1.092 387 S CA -0.426 57.813 58.200 0.064 0.000 1.048 387 S CB 1.577 64.809 63.200 0.054 0.000 1.053 387 S HN 0.682 nan 8.310 nan 0.000 0.501 388 Q N 1.549 121.377 119.800 0.047 0.000 2.687 388 Q HA 0.414 4.753 4.340 -0.001 0.000 0.295 388 Q C -1.667 174.354 176.000 0.035 0.000 0.920 388 Q CA -1.183 54.645 55.803 0.042 0.000 0.766 388 Q CB 0.848 29.617 28.738 0.051 0.000 1.467 388 Q HN 0.622 nan 8.270 nan 0.000 0.415 389 K N 1.478 121.894 120.400 0.027 0.000 2.298 389 K HA 0.217 4.537 4.320 -0.001 0.000 0.280 389 K C -0.064 176.553 176.600 0.028 0.000 1.032 389 K CA -0.501 55.798 56.287 0.020 0.000 0.958 389 K CB 0.743 33.248 32.500 0.009 0.000 0.978 389 K HN 0.713 nan 8.250 nan 0.000 0.472 390 R N 2.334 122.852 120.500 0.030 0.000 2.801 390 R HA 0.021 4.361 4.340 -0.001 0.000 0.273 390 R C -0.079 176.236 176.300 0.026 0.000 1.080 390 R CA -0.554 55.572 56.100 0.043 0.000 1.197 390 R CB 0.121 30.452 30.300 0.052 0.000 1.109 390 R HN 0.481 nan 8.270 nan 0.000 0.535 391 N N 1.056 119.771 118.700 0.024 0.000 2.508 391 N HA 0.012 4.752 4.740 -0.001 0.000 0.253 391 N C -1.003 174.489 175.510 -0.030 0.000 1.145 391 N CA -0.118 52.919 53.050 -0.021 0.000 0.973 391 N CB 0.010 38.456 38.487 -0.068 0.000 1.305 391 N HN 0.481 nan 8.380 nan 0.000 0.506 392 N N 1.245 119.930 118.700 -0.025 0.000 2.320 392 N HA 0.120 4.859 4.740 -0.001 0.000 0.237 392 N C 0.386 175.871 175.510 -0.042 0.000 1.129 392 N CA -0.151 52.886 53.050 -0.021 0.000 0.854 392 N CB 0.402 38.880 38.487 -0.014 0.000 1.083 392 N HN 0.478 nan 8.380 nan 0.000 0.504 393 G N 0.222 108.982 108.800 -0.067 0.000 2.353 393 G HA2 0.192 4.151 3.960 -0.001 0.000 0.239 393 G HA3 0.192 4.151 3.960 -0.001 0.000 0.239 393 G C 0.168 175.021 174.900 -0.078 0.000 1.295 393 G CA -0.050 45.000 45.100 -0.084 0.000 0.884 393 G HN 0.024 nan 8.290 nan 0.000 0.537 394 V N 2.694 122.561 119.914 -0.079 0.000 2.465 394 V HA 0.264 4.384 4.120 -0.001 0.000 0.279 394 V C 0.207 176.249 176.094 -0.087 0.000 1.045 394 V CA -0.537 61.723 62.300 -0.066 0.000 0.938 394 V CB 1.679 33.468 31.823 -0.057 0.000 0.986 394 V HN 0.482 nan 8.190 nan 0.000 0.467 395 V N 5.673 125.559 119.914 -0.046 0.000 2.293 395 V HA 0.505 4.625 4.120 -0.001 0.000 0.275 395 V C -0.464 175.657 176.094 0.046 0.000 1.021 395 V CA -0.426 61.862 62.300 -0.020 0.000 0.815 395 V CB 1.010 32.864 31.823 0.051 0.000 1.025 395 V HN 1.114 nan 8.190 nan 0.000 0.448 396 D N 3.593 124.011 120.400 0.029 0.000 2.744 396 D HA 0.497 5.136 4.640 -0.001 0.000 0.304 396 D C 1.026 177.424 176.300 0.163 0.000 1.179 396 D CA -0.099 53.951 54.000 0.084 0.000 1.024 396 D CB 1.448 42.260 40.800 0.020 0.000 1.453 396 D HN 0.144 nan 8.370 nan 0.000 0.529 397 K N 0.053 120.541 120.400 0.146 0.000 2.032 397 K HA -0.147 4.172 4.320 -0.001 0.000 0.209 397 K C 2.082 178.762 176.600 0.133 0.000 1.048 397 K CA 2.408 58.804 56.287 0.183 0.000 0.927 397 K CB -1.411 31.140 32.500 0.085 0.000 0.712 397 K HN 0.400 nan 8.250 nan 0.000 0.441 398 S N 0.190 115.911 115.700 0.035 0.000 2.402 398 S HA -0.148 4.321 4.470 -0.001 0.000 0.233 398 S C 1.996 176.542 174.600 -0.090 0.000 1.030 398 S CA 1.549 59.739 58.200 -0.017 0.000 1.003 398 S CB -0.384 62.796 63.200 -0.033 0.000 0.813 398 S HN 0.543 nan 8.310 nan 0.000 0.477 399 L N 0.196 121.291 121.223 -0.213 0.000 2.131 399 L HA 0.122 4.462 4.340 -0.001 0.000 0.210 399 L C 1.119 177.651 176.870 -0.564 0.000 1.092 399 L CA 1.800 56.359 54.840 -0.469 0.000 0.759 399 L CB -0.500 41.095 42.059 -0.773 0.000 0.903 399 L HN 0.362 nan 8.230 nan 0.000 0.435 400 F N -1.287 118.651 119.950 -0.020 0.000 2.660 400 F HA 0.184 4.710 4.527 -0.001 0.000 0.302 400 F C 2.264 178.058 175.800 -0.009 0.000 1.103 400 F CA 0.427 58.419 58.000 -0.014 0.000 1.340 400 F CB -0.861 38.126 39.000 -0.021 0.000 1.048 400 F HN 0.164 nan 8.300 nan 0.000 0.551 401 S N -0.950 114.796 115.700 0.077 0.000 2.555 401 S HA -0.116 4.354 4.470 -0.001 0.000 0.230 401 S C 0.928 175.551 174.600 0.038 0.000 0.978 401 S CA 0.292 58.525 58.200 0.055 0.000 0.934 401 S CB -0.672 62.543 63.200 0.024 0.000 0.766 401 S HN 0.345 nan 8.310 nan 0.000 0.533 402 N N 1.809 120.530 118.700 0.035 0.000 3.229 402 N HA 0.279 5.019 4.740 -0.001 0.000 0.275 402 N C -0.893 174.649 175.510 0.053 0.000 1.225 402 N CA -0.294 52.777 53.050 0.034 0.000 1.119 402 N CB 0.439 38.941 38.487 0.024 0.000 1.392 402 N HN 0.114 nan 8.380 nan 0.000 0.520 403 V N 1.657 121.599 119.914 0.046 0.000 2.614 403 V HA 0.061 4.180 4.120 -0.001 0.000 0.291 403 V C 1.466 177.568 176.094 0.014 0.000 1.049 403 V CA -0.266 62.055 62.300 0.036 0.000 1.038 403 V CB 1.311 33.156 31.823 0.038 0.000 0.980 403 V HN 0.457 nan 8.190 nan 0.000 0.481 404 V N 0.556 120.459 119.914 -0.019 0.000 3.605 404 V HA 0.190 4.310 4.120 -0.001 0.000 0.284 404 V C 0.800 176.875 176.094 -0.033 0.000 1.386 404 V CA 0.374 62.657 62.300 -0.027 0.000 1.053 404 V CB -0.203 31.585 31.823 -0.057 0.000 0.857 404 V HN 0.864 nan 8.190 nan 0.000 0.436 405 T N -0.336 114.198 114.554 -0.033 0.000 2.882 405 T HA 0.372 4.721 4.350 -0.001 0.000 0.287 405 T C 0.161 174.854 174.700 -0.011 0.000 1.014 405 T CA -0.580 61.505 62.100 -0.026 0.000 1.049 405 T CB 1.006 69.858 68.868 -0.027 0.000 1.001 405 T HN 0.404 nan 8.240 nan 0.000 0.525 406 K N 2.235 122.628 120.400 -0.011 0.000 3.000 406 K HA 0.181 4.500 4.320 -0.001 0.000 0.265 406 K C 0.190 176.788 176.600 -0.004 0.000 1.260 406 K CA -0.181 56.103 56.287 -0.006 0.000 1.209 406 K CB -0.590 31.906 32.500 -0.008 0.000 1.484 406 K HN 0.512 nan 8.250 nan 0.000 0.283 407 N N 1.281 119.982 118.700 0.000 0.000 4.036 407 N HA -0.002 4.737 4.740 -0.001 0.000 0.178 407 N C -0.903 174.617 175.510 0.017 0.000 1.378 407 N CA -0.249 52.805 53.050 0.007 0.000 0.851 407 N CB 0.417 38.905 38.487 0.003 0.000 1.714 407 N HN 0.072 nan 8.380 nan 0.000 0.771 408 K N 0.595 121.006 120.400 0.018 0.000 2.437 408 K HA 0.209 4.529 4.320 -0.001 0.000 0.205 408 K C -0.703 175.915 176.600 0.029 0.000 1.026 408 K CA -0.226 56.076 56.287 0.024 0.000 1.153 408 K CB 0.596 33.107 32.500 0.019 0.000 0.863 408 K HN 0.312 nan 8.250 nan 0.000 0.502 409 D N 1.863 122.283 120.400 0.032 0.000 2.396 409 D HA 0.082 4.722 4.640 -0.001 0.000 0.225 409 D C -0.872 175.453 176.300 0.041 0.000 1.121 409 D CA -0.291 53.726 54.000 0.029 0.000 0.853 409 D CB 1.230 42.044 40.800 0.024 0.000 1.043 409 D HN -0.069 nan 8.370 nan 0.000 0.500 410 L N 5.857 127.089 121.223 0.015 0.000 2.259 410 L HA 0.290 4.630 4.340 -0.001 0.000 0.288 410 L C -1.992 174.821 176.870 -0.096 0.000 1.051 410 L CA -1.810 53.012 54.840 -0.029 0.000 0.824 410 L CB 0.794 42.832 42.059 -0.035 0.000 1.206 410 L HN 0.128 nan 8.230 nan 0.000 0.429 411 P HA 0.044 nan 4.420 nan 0.000 0.269 411 P C 0.400 177.582 177.300 -0.196 0.000 1.209 411 P CA -0.207 62.806 63.100 -0.144 0.000 0.776 411 P CB 0.931 32.554 31.700 -0.128 0.000 0.876 412 E N 1.537 121.660 120.200 -0.127 0.000 2.108 412 E HA -0.209 4.140 4.350 -0.001 0.000 0.203 412 E C 1.926 178.430 176.600 -0.159 0.000 1.022 412 E CA 2.307 58.635 56.400 -0.120 0.000 0.823 412 E CB -0.667 28.989 29.700 -0.074 0.000 0.744 412 E HN 0.668 nan 8.360 nan 0.000 0.456 413 S N 0.727 116.328 115.700 -0.165 0.000 2.382 413 S HA -0.064 4.405 4.470 -0.001 0.000 0.228 413 S C 2.222 176.656 174.600 -0.277 0.000 1.027 413 S CA 1.220 59.318 58.200 -0.170 0.000 0.991 413 S CB -0.205 62.922 63.200 -0.120 0.000 0.823 413 S HN 0.303 nan 8.310 nan 0.000 0.469 414 A N 1.609 124.150 122.820 -0.466 0.000 1.930 414 A HA 0.211 4.531 4.320 -0.001 0.000 0.217 414 A C 2.255 179.549 177.584 -0.482 0.000 1.175 414 A CA 1.176 52.782 52.037 -0.719 0.000 0.627 414 A CB -0.801 17.316 19.000 -1.472 0.000 0.815 414 A HN 0.511 nan 8.150 nan 0.000 0.443 415 L N -0.607 120.386 121.223 -0.383 0.000 2.046 415 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 415 L C 2.752 179.426 176.870 -0.326 0.000 1.077 415 L CA 1.795 56.422 54.840 -0.355 0.000 0.747 415 L CB -0.287 41.646 42.059 -0.210 0.000 0.896 415 L HN 0.501 nan 8.230 nan 0.000 0.432 416 R N -0.218 120.147 120.500 -0.225 0.000 2.083 416 R HA -0.207 4.132 4.340 -0.001 0.000 0.237 416 R C 1.716 177.916 176.300 -0.167 0.000 1.137 416 R CA 2.205 58.211 56.100 -0.157 0.000 0.951 416 R CB -0.381 29.852 30.300 -0.111 0.000 0.851 416 R HN 0.392 nan 8.270 nan 0.000 0.434 417 D N 0.560 120.846 120.400 -0.190 0.000 2.183 417 D HA -0.098 4.541 4.640 -0.001 0.000 0.203 417 D C 2.018 178.206 176.300 -0.187 0.000 0.969 417 D CA 0.801 54.709 54.000 -0.154 0.000 0.842 417 D CB -0.055 40.669 40.800 -0.127 0.000 0.957 417 D HN 0.301 nan 8.370 nan 0.000 0.484 418 L N 0.306 121.335 121.223 -0.323 0.000 2.109 418 L HA -0.052 4.287 4.340 -0.001 0.000 0.207 418 L C 2.420 179.072 176.870 -0.362 0.000 1.086 418 L CA 0.512 55.092 54.840 -0.432 0.000 0.760 418 L CB -0.117 41.428 42.059 -0.856 0.000 0.910 418 L HN -0.001 nan 8.230 nan 0.000 0.437 419 I N -1.038 119.330 120.570 -0.335 0.000 2.202 419 I HA -0.250 3.920 4.170 -0.001 0.000 0.242 419 I C 2.449 178.569 176.117 0.005 0.000 1.091 419 I CA 0.948 62.217 61.300 -0.050 0.000 1.368 419 I CB -0.174 37.817 38.000 -0.016 0.000 1.058 419 I HN -0.004 nan 8.210 nan 0.000 0.410 420 V N 1.140 121.031 119.914 -0.037 0.000 2.287 420 V HA -0.333 3.787 4.120 -0.001 0.000 0.248 420 V C 2.707 178.810 176.094 0.016 0.000 1.053 420 V CA 2.164 64.462 62.300 -0.004 0.000 1.027 420 V CB -1.023 30.787 31.823 -0.021 0.000 0.646 420 V HN 0.509 nan 8.190 nan 0.000 0.447 421 A N -0.447 122.368 122.820 -0.008 0.000 1.902 421 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 421 A C 2.384 179.992 177.584 0.042 0.000 1.181 421 A CA 2.440 54.483 52.037 0.010 0.000 0.623 421 A CB -0.891 18.098 19.000 -0.018 0.000 0.818 421 A HN 0.523 nan 8.150 nan 0.000 0.443 422 T N 0.186 114.784 114.554 0.074 0.000 2.812 422 T HA -0.007 4.342 4.350 -0.001 0.000 0.264 422 T C 1.783 176.521 174.700 0.063 0.000 1.042 422 T CA 1.315 63.475 62.100 0.099 0.000 1.140 422 T CB -0.325 68.685 68.868 0.237 0.000 0.870 422 T HN 0.410 nan 8.240 nan 0.000 0.445 423 I N 1.317 121.940 120.570 0.087 0.000 2.315 423 I HA -0.133 4.036 4.170 -0.001 0.000 0.248 423 I C 2.923 179.131 176.117 0.151 0.000 1.117 423 I CA 0.850 62.213 61.300 0.106 0.000 1.404 423 I CB -0.489 37.586 38.000 0.125 0.000 1.071 423 I HN 0.200 nan 8.210 nan 0.000 0.419 424 A N 0.566 123.461 122.820 0.124 0.000 1.858 424 A HA -0.177 4.143 4.320 -0.001 0.000 0.216 424 A C 2.457 180.105 177.584 0.106 0.000 1.190 424 A CA 1.717 53.837 52.037 0.139 0.000 0.617 424 A CB -1.086 17.967 19.000 0.089 0.000 0.827 424 A HN 0.212 nan 8.150 nan 0.000 0.443 425 V N 0.444 120.390 119.914 0.054 0.000 2.392 425 V HA -0.290 3.830 4.120 -0.001 0.000 0.249 425 V C 2.577 178.648 176.094 -0.037 0.000 1.059 425 V CA 2.478 64.792 62.300 0.023 0.000 1.051 425 V CB -0.584 31.247 31.823 0.012 0.000 0.658 425 V HN 0.718 nan 8.190 nan 0.000 0.455 426 K N -1.023 119.308 120.400 -0.116 0.000 2.209 426 K HA -0.177 4.143 4.320 -0.001 0.000 0.204 426 K C 0.962 177.167 176.600 -0.659 0.000 1.048 426 K CA 1.621 57.685 56.287 -0.372 0.000 0.940 426 K CB -0.057 32.154 32.500 -0.480 0.000 0.729 426 K HN 0.581 nan 8.250 nan 0.000 0.451 427 Y N 0.083 120.327 120.300 -0.092 0.000 2.720 427 Y HA 0.237 4.787 4.550 -0.001 0.000 0.268 427 Y C -0.425 175.575 175.900 0.166 0.000 1.142 427 Y CA -0.385 57.656 58.100 -0.098 0.000 1.193 427 Y CB 1.082 39.606 38.460 0.106 0.000 1.176 427 Y HN -0.199 nan 8.280 nan 0.000 0.542 428 T N 1.387 116.070 114.554 0.215 0.000 2.823 428 T HA 0.256 4.606 4.350 -0.001 0.000 0.279 428 T C -0.210 174.624 174.700 0.223 0.000 0.998 428 T CA -0.856 61.354 62.100 0.184 0.000 0.994 428 T CB 1.208 70.124 68.868 0.080 0.000 0.960 428 T HN -0.070 nan 8.240 nan 0.000 0.448 429 Q N 1.937 121.826 119.800 0.148 0.000 2.300 429 Q HA 0.209 4.548 4.340 -0.001 0.000 0.280 429 Q C 0.256 176.218 176.000 -0.064 0.000 1.033 429 Q CA 0.209 56.016 55.803 0.006 0.000 0.903 429 Q CB 0.504 29.259 28.738 0.028 0.000 1.195 429 Q HN 0.589 nan 8.270 nan 0.000 0.386 430 S N 2.058 117.589 115.700 -0.282 0.000 2.603 430 S HA 0.128 4.597 4.470 -0.001 0.000 0.268 430 S C 0.602 175.136 174.600 -0.109 0.000 1.317 430 S CA -0.680 57.365 58.200 -0.258 0.000 1.012 430 S CB 0.393 63.270 63.200 -0.538 0.000 0.926 430 S HN 0.684 nan 8.310 nan 0.000 0.539 431 N N -0.072 118.582 118.700 -0.077 0.000 2.445 431 N HA 0.383 5.123 4.740 -0.001 0.000 0.264 431 N C -1.033 174.494 175.510 0.028 0.000 1.227 431 N CA -0.647 52.376 53.050 -0.046 0.000 0.963 431 N CB 0.555 39.035 38.487 -0.011 0.000 1.188 431 N HN 0.418 nan 8.380 nan 0.000 0.491 432 S N -0.138 115.602 115.700 0.068 0.000 2.546 432 S HA 0.561 5.031 4.470 -0.001 0.000 0.274 432 S C -1.085 173.567 174.600 0.087 0.000 1.121 432 S CA -0.781 57.464 58.200 0.075 0.000 0.887 432 S CB 1.953 65.190 63.200 0.061 0.000 1.094 432 S HN 0.464 nan 8.310 nan 0.000 0.474 433 V N 0.971 120.951 119.914 0.111 0.000 2.851 433 V HA 0.643 4.763 4.120 -0.001 0.000 0.307 433 V C -0.950 175.231 176.094 0.145 0.000 1.129 433 V CA -0.689 61.688 62.300 0.128 0.000 0.932 433 V CB 1.703 33.650 31.823 0.206 0.000 1.024 433 V HN 1.140 nan 8.190 nan 0.000 0.426 434 C N 5.355 124.712 119.300 0.095 0.000 2.482 434 C HA 0.795 5.255 4.460 -0.001 0.000 0.317 434 C C -1.325 173.709 174.990 0.073 0.000 1.197 434 C CA -0.530 58.564 59.018 0.125 0.000 1.432 434 C CB 0.859 28.642 27.740 0.072 0.000 2.062 434 C HN 0.785 nan 8.230 nan 0.000 0.471 435 Y N 3.591 123.886 120.300 -0.008 0.000 2.330 435 Y HA 0.666 5.215 4.550 -0.001 0.000 0.336 435 Y C 0.627 176.472 175.900 -0.091 0.000 1.036 435 Y CA 0.022 58.101 58.100 -0.035 0.000 1.125 435 Y CB 1.598 40.032 38.460 -0.044 0.000 1.194 435 Y HN 0.988 nan 8.280 nan 0.000 0.469 436 A N 3.788 126.622 122.820 0.023 0.000 2.469 436 A HA 0.901 5.221 4.320 -0.001 0.000 0.299 436 A C -1.217 176.323 177.584 -0.074 0.000 1.098 436 A CA -0.876 51.126 52.037 -0.059 0.000 0.737 436 A CB 2.171 21.139 19.000 -0.054 0.000 1.312 436 A HN 0.674 nan 8.150 nan 0.000 0.414 437 K N 0.944 121.275 120.400 -0.116 0.000 2.589 437 K HA 0.321 4.641 4.320 -0.001 0.000 0.265 437 K C -0.798 175.785 176.600 -0.028 0.000 0.935 437 K CA -0.548 55.699 56.287 -0.068 0.000 0.850 437 K CB 1.017 33.477 32.500 -0.065 0.000 1.372 437 K HN 0.741 nan 8.250 nan 0.000 0.420 438 N N 1.727 120.437 118.700 0.016 0.000 2.740 438 N HA -0.178 4.561 4.740 -0.001 0.000 0.248 438 N C 0.324 175.857 175.510 0.039 0.000 1.062 438 N CA 1.795 54.880 53.050 0.058 0.000 0.704 438 N CB -1.097 37.481 38.487 0.151 0.000 0.968 438 N HN 1.095 nan 8.380 nan 0.000 0.547 439 G N -0.596 108.203 108.800 -0.002 0.000 2.166 439 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.260 439 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.260 439 G C -0.132 174.767 174.900 -0.002 0.000 0.986 439 G CA 1.327 46.424 45.100 -0.004 0.000 0.683 439 G HN 0.941 nan 8.290 nan 0.000 0.527 440 Q N -1.429 118.356 119.800 -0.026 0.000 2.456 440 Q HA 0.731 5.070 4.340 -0.001 0.000 0.284 440 Q C -0.620 175.312 176.000 -0.114 0.000 1.061 440 Q CA -1.193 54.584 55.803 -0.044 0.000 0.799 440 Q CB 2.099 30.825 28.738 -0.019 0.000 1.445 440 Q HN 0.325 nan 8.270 nan 0.000 0.411 441 V N 3.361 123.218 119.914 -0.094 0.000 2.572 441 V HA 0.079 4.199 4.120 -0.001 0.000 0.291 441 V C 0.931 176.865 176.094 -0.267 0.000 1.039 441 V CA 0.348 62.582 62.300 -0.110 0.000 1.055 441 V CB 0.517 32.318 31.823 -0.037 0.000 0.969 441 V HN 0.852 nan 8.190 nan 0.000 0.482 442 I N 1.630 122.003 120.570 -0.328 0.000 4.288 442 I HA 0.641 4.810 4.170 -0.001 0.000 0.331 442 I C 0.757 176.738 176.117 -0.227 0.000 1.322 442 I CA 0.177 61.114 61.300 -0.604 0.000 1.149 442 I CB 0.854 38.230 38.000 -1.040 0.000 1.112 442 I HN 0.610 nan 8.210 nan 0.000 0.403 443 G N 2.164 110.921 108.800 -0.071 0.000 2.734 443 G HA2 0.649 4.609 3.960 -0.001 0.000 0.293 443 G HA3 0.649 4.609 3.960 -0.001 0.000 0.293 443 G C -1.892 173.069 174.900 0.101 0.000 1.422 443 G CA -0.346 44.747 45.100 -0.012 0.000 1.177 443 G HN 0.154 nan 8.290 nan 0.000 0.565 444 I N 1.491 122.114 120.570 0.087 0.000 2.656 444 I HA 0.782 4.951 4.170 -0.001 0.000 0.292 444 I C 0.056 176.235 176.117 0.102 0.000 1.144 444 I CA -0.685 60.681 61.300 0.110 0.000 1.038 444 I CB 2.251 40.290 38.000 0.066 0.000 1.244 444 I HN 0.698 nan 8.210 nan 0.000 0.420 445 G N 5.212 114.083 108.800 0.119 0.000 2.452 445 G HA2 0.840 4.799 3.960 -0.001 0.000 0.324 445 G HA3 0.840 4.799 3.960 -0.001 0.000 0.324 445 G C -1.580 173.371 174.900 0.086 0.000 1.214 445 G CA -0.426 44.738 45.100 0.107 0.000 0.947 445 G HN 0.861 nan 8.290 nan 0.000 0.478 446 A N 0.334 123.197 122.820 0.071 0.000 2.539 446 A HA 0.826 5.145 4.320 -0.001 0.000 0.296 446 A C 0.837 178.450 177.584 0.049 0.000 1.073 446 A CA 0.213 52.283 52.037 0.055 0.000 0.700 446 A CB 1.275 20.302 19.000 0.046 0.000 1.296 446 A HN 2.522 nan 8.150 nan 0.000 0.405 447 G N 0.361 109.182 108.800 0.035 0.000 2.187 447 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.261 447 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.261 447 G C 0.204 175.125 174.900 0.034 0.000 1.000 447 G CA 0.842 45.965 45.100 0.038 0.000 0.718 447 G HN 0.813 nan 8.290 nan 0.000 0.519 448 Q N -0.856 118.966 119.800 0.037 0.000 2.249 448 Q HA 0.500 4.840 4.340 -0.001 0.000 0.226 448 Q C 1.199 177.203 176.000 0.007 0.000 0.983 448 Q CA -0.120 55.706 55.803 0.039 0.000 0.930 448 Q CB 0.413 29.199 28.738 0.080 0.000 1.193 448 Q HN 0.652 nan 8.270 nan 0.000 0.508 449 Q N -0.514 119.279 119.800 -0.012 0.000 2.139 449 Q HA 0.263 4.602 4.340 -0.001 0.000 0.219 449 Q C -0.283 175.680 176.000 -0.062 0.000 0.805 449 Q CA -0.118 55.656 55.803 -0.048 0.000 1.024 449 Q CB 1.262 29.963 28.738 -0.061 0.000 1.163 449 Q HN 0.398 nan 8.270 nan 0.000 0.485 450 S N -0.102 115.574 115.700 -0.040 0.000 2.571 450 S HA 0.424 4.894 4.470 -0.001 0.000 0.284 450 S C 0.041 174.689 174.600 0.081 0.000 1.128 450 S CA -0.592 57.589 58.200 -0.031 0.000 0.970 450 S CB 1.874 64.947 63.200 -0.211 0.000 1.039 450 S HN 0.169 nan 8.310 nan 0.000 0.485 451 R N 3.161 123.721 120.500 0.099 0.000 2.088 451 R HA 0.002 4.341 4.340 -0.001 0.000 0.232 451 R C 1.992 178.420 176.300 0.213 0.000 1.136 451 R CA 2.389 58.588 56.100 0.165 0.000 0.926 451 R CB -1.200 29.211 30.300 0.186 0.000 0.837 451 R HN 0.757 nan 8.270 nan 0.000 0.429 452 I N 0.554 121.248 120.570 0.206 0.000 2.248 452 I HA -0.258 3.911 4.170 -0.001 0.000 0.248 452 I C 1.577 177.819 176.117 0.208 0.000 1.107 452 I CA 1.823 63.234 61.300 0.184 0.000 1.373 452 I CB -0.602 37.508 38.000 0.183 0.000 1.055 452 I HN 0.297 nan 8.210 nan 0.000 0.418 453 H N -1.023 118.097 119.070 0.084 0.000 2.353 453 H HA -0.163 4.392 4.556 -0.001 0.000 0.300 453 H C 2.483 177.862 175.328 0.085 0.000 1.090 453 H CA 1.925 58.017 56.048 0.073 0.000 1.327 453 H CB -0.831 28.968 29.762 0.061 0.000 1.383 453 H HN 0.500 nan 8.280 nan 0.000 0.508 454 C N 0.023 119.462 119.300 0.231 0.000 2.440 454 C HA -0.123 4.336 4.460 -0.001 0.000 0.278 454 C C 2.730 177.838 174.990 0.198 0.000 1.295 454 C CA 1.624 60.752 59.018 0.184 0.000 1.738 454 C CB -1.050 26.791 27.740 0.167 0.000 1.987 454 C HN 0.589 nan 8.230 nan 0.000 0.492 455 T N 0.162 114.843 114.554 0.211 0.000 2.821 455 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 455 T C 1.972 176.801 174.700 0.214 0.000 1.046 455 T CA 1.265 63.511 62.100 0.244 0.000 1.139 455 T CB -0.230 68.729 68.868 0.151 0.000 0.871 455 T HN 0.602 nan 8.240 nan 0.000 0.454 456 R N 0.377 120.941 120.500 0.108 0.000 2.073 456 R HA 0.137 4.476 4.340 -0.001 0.000 0.229 456 R C 2.496 178.800 176.300 0.006 0.000 1.120 456 R CA 0.837 56.956 56.100 0.031 0.000 0.967 456 R CB -0.483 29.796 30.300 -0.035 0.000 0.862 456 R HN 0.315 nan 8.270 nan 0.000 0.436 457 L N 0.398 121.646 121.223 0.041 0.000 2.056 457 L HA -0.108 4.231 4.340 -0.001 0.000 0.207 457 L C 2.305 179.191 176.870 0.027 0.000 1.078 457 L CA 1.490 56.356 54.840 0.043 0.000 0.749 457 L CB -0.287 41.819 42.059 0.079 0.000 0.901 457 L HN 0.186 nan 8.230 nan 0.000 0.433 458 A N -0.192 122.668 122.820 0.067 0.000 1.930 458 A HA -0.073 4.247 4.320 -0.001 0.000 0.217 458 A C 2.286 179.646 177.584 -0.373 0.000 1.175 458 A CA 1.329 53.387 52.037 0.036 0.000 0.627 458 A CB -1.345 17.855 19.000 0.333 0.000 0.815 458 A HN 0.530 nan 8.150 nan 0.000 0.443 459 G N -0.088 108.433 108.800 -0.465 0.000 2.422 459 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.218 459 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.218 459 G C 1.101 175.728 174.900 -0.454 0.000 1.146 459 G CA 1.234 45.868 45.100 -0.777 0.000 0.769 459 G HN 0.461 nan 8.290 nan 0.000 0.547 460 D N 0.635 120.865 120.400 -0.284 0.000 2.117 460 D HA -0.034 4.605 4.640 -0.001 0.000 0.198 460 D C 2.435 178.487 176.300 -0.412 0.000 0.982 460 D CA 0.745 54.529 54.000 -0.360 0.000 0.828 460 D CB -0.173 40.516 40.800 -0.184 0.000 0.967 460 D HN 0.268 nan 8.370 nan 0.000 0.464 461 K N 0.652 120.987 120.400 -0.109 0.000 2.063 461 K HA -0.082 4.237 4.320 -0.001 0.000 0.208 461 K C 2.100 178.743 176.600 0.072 0.000 1.048 461 K CA 1.146 57.494 56.287 0.102 0.000 0.928 461 K CB -0.082 32.479 32.500 0.102 0.000 0.713 461 K HN 0.029 nan 8.250 nan 0.000 0.442 462 A N 1.885 124.635 122.820 -0.116 0.000 1.933 462 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 462 A C 1.755 179.440 177.584 0.169 0.000 1.175 462 A CA 1.558 53.579 52.037 -0.026 0.000 0.628 462 A CB -0.405 18.407 19.000 -0.314 0.000 0.814 462 A HN 0.243 nan 8.150 nan 0.000 0.444 463 N N -0.862 117.815 118.700 -0.040 0.000 2.142 463 N HA -0.136 4.604 4.740 -0.001 0.000 0.186 463 N C 1.526 177.145 175.510 0.182 0.000 1.023 463 N CA 1.646 54.715 53.050 0.032 0.000 0.852 463 N CB -0.626 37.730 38.487 -0.217 0.000 0.998 463 N HN 0.747 nan 8.380 nan 0.000 0.424 464 Y N -1.180 119.279 120.300 0.264 0.000 2.200 464 Y HA -0.196 4.354 4.550 -0.001 0.000 0.290 464 Y C 2.381 178.484 175.900 0.338 0.000 1.137 464 Y CA 0.513 58.763 58.100 0.250 0.000 1.163 464 Y CB -0.348 38.224 38.460 0.187 0.000 0.988 464 Y HN 0.162 nan 8.280 nan 0.000 0.518 465 W N 0.512 122.028 121.300 0.360 0.000 2.355 465 W HA -0.272 4.387 4.660 -0.001 0.000 0.309 465 W C 2.456 179.276 176.519 0.502 0.000 1.206 465 W CA 1.528 59.094 57.345 0.368 0.000 1.284 465 W CB -0.742 28.897 29.460 0.297 0.000 1.145 465 W HN 0.285 nan 8.180 nan 0.000 0.502 466 W N 0.671 122.153 121.300 0.302 0.000 2.388 466 W HA -0.197 4.463 4.660 -0.001 0.000 0.294 466 W C 1.751 178.486 176.519 0.360 0.000 1.212 466 W CA 1.317 58.666 57.345 0.007 0.000 1.271 466 W CB -0.564 28.966 29.460 0.118 0.000 1.126 466 W HN -0.123 nan 8.180 nan 0.000 0.535 467 L N 0.749 122.168 121.223 0.328 0.000 2.265 467 L HA -0.173 4.167 4.340 -0.001 0.000 0.215 467 L C 2.452 179.363 176.870 0.068 0.000 1.117 467 L CA 1.203 56.173 54.840 0.218 0.000 0.782 467 L CB -0.571 41.658 42.059 0.284 0.000 0.914 467 L HN -0.129 nan 8.230 nan 0.000 0.441 468 R N -1.391 119.175 120.500 0.110 0.000 2.339 468 R HA -0.085 4.255 4.340 -0.001 0.000 0.199 468 R C 1.259 177.470 176.300 -0.148 0.000 1.018 468 R CA 0.428 56.532 56.100 0.008 0.000 1.036 468 R CB -0.139 30.167 30.300 0.009 0.000 0.899 468 R HN 0.405 nan 8.270 nan 0.000 0.473 469 H N -2.184 116.685 119.070 -0.335 0.000 2.551 469 H HA 0.075 4.631 4.556 -0.001 0.000 0.271 469 H C -0.187 174.842 175.328 -0.498 0.000 0.984 469 H CA -0.161 55.648 56.048 -0.398 0.000 1.164 469 H CB -0.120 29.299 29.762 -0.572 0.000 1.437 469 H HN 0.147 nan 8.280 nan 0.000 0.550 470 H N 1.314 119.972 119.070 -0.686 0.000 2.972 470 H HA -0.024 4.532 4.556 -0.001 0.000 0.343 470 H C -1.400 173.549 175.328 -0.632 0.000 1.054 470 H CA -1.283 54.080 56.048 -1.141 0.000 1.412 470 H CB 1.036 30.216 29.762 -0.971 0.000 1.385 470 H HN 0.033 nan 8.280 nan 0.000 0.600 471 P HA -0.214 nan 4.420 nan 0.000 0.216 471 P C 0.927 178.126 177.300 -0.169 0.000 1.154 471 P CA 1.725 64.586 63.100 -0.397 0.000 0.865 471 P CB 0.184 31.635 31.700 -0.416 0.000 0.789 472 Q N -1.255 118.563 119.800 0.029 0.000 2.364 472 Q HA -0.061 4.279 4.340 -0.001 0.000 0.207 472 Q C 1.820 177.762 176.000 -0.096 0.000 0.970 472 Q CA 0.767 56.583 55.803 0.021 0.000 0.888 472 Q CB -0.231 28.574 28.738 0.112 0.000 0.951 472 Q HN 0.158 nan 8.270 nan 0.000 0.469 473 V N 0.095 119.948 119.914 -0.102 0.000 2.500 473 V HA -0.139 3.981 4.120 -0.001 0.000 0.243 473 V C 1.885 177.912 176.094 -0.113 0.000 1.039 473 V CA 1.017 63.227 62.300 -0.149 0.000 1.053 473 V CB -0.159 31.604 31.823 -0.100 0.000 0.695 473 V HN 0.341 nan 8.190 nan 0.000 0.463 474 L N 0.970 122.108 121.223 -0.140 0.000 2.201 474 L HA -0.083 4.256 4.340 -0.001 0.000 0.212 474 L C 2.466 179.271 176.870 -0.109 0.000 1.105 474 L CA 1.598 56.353 54.840 -0.141 0.000 0.775 474 L CB -0.583 41.364 42.059 -0.185 0.000 0.913 474 L HN 0.531 nan 8.230 nan 0.000 0.440 475 S N -1.392 114.247 115.700 -0.102 0.000 2.527 475 S HA 0.065 4.534 4.470 -0.001 0.000 0.222 475 S C 0.977 175.540 174.600 -0.061 0.000 0.985 475 S CA -0.199 57.951 58.200 -0.083 0.000 0.921 475 S CB -0.262 62.887 63.200 -0.085 0.000 0.772 475 S HN 0.202 nan 8.310 nan 0.000 0.529 476 M N 2.188 121.760 119.600 -0.046 0.000 2.235 476 M HA 0.109 4.588 4.480 -0.001 0.000 0.336 476 M C -0.145 176.147 176.300 -0.013 0.000 1.146 476 M CA 0.677 55.959 55.300 -0.030 0.000 1.018 476 M CB 0.186 32.831 32.600 0.076 0.000 1.694 476 M HN -0.015 nan 8.290 nan 0.000 0.451 477 K N 3.684 124.003 120.400 -0.135 0.000 2.579 477 K HA 0.454 4.774 4.320 -0.001 0.000 0.250 477 K C -1.394 175.022 176.600 -0.307 0.000 0.952 477 K CA -0.236 55.990 56.287 -0.102 0.000 0.857 477 K CB 1.065 33.520 32.500 -0.075 0.000 1.123 477 K HN 0.353 nan 8.250 nan 0.000 0.433 478 F N 1.399 121.210 119.950 -0.232 0.000 2.397 478 F HA 0.394 4.921 4.527 -0.001 0.000 0.331 478 F C 1.397 177.076 175.800 -0.202 0.000 1.090 478 F CA -0.507 57.293 58.000 -0.334 0.000 1.065 478 F CB 0.531 39.292 39.000 -0.398 0.000 1.184 478 F HN 0.355 nan 8.300 nan 0.000 0.499 479 K N 0.054 120.424 120.400 -0.050 0.000 2.180 479 K HA 0.591 4.911 4.320 -0.001 0.000 0.251 479 K C 0.316 176.907 176.600 -0.016 0.000 1.014 479 K CA -0.057 56.206 56.287 -0.039 0.000 0.913 479 K CB -0.873 31.595 32.500 -0.054 0.000 1.008 479 K HN 0.997 nan 8.250 nan 0.000 0.490 480 T N 0.039 114.582 114.554 -0.019 0.000 2.871 480 T HA 0.455 4.805 4.350 -0.001 0.000 0.296 480 T C 1.583 176.271 174.700 -0.020 0.000 0.998 480 T CA 1.471 63.561 62.100 -0.017 0.000 1.162 480 T CB -0.574 68.285 68.868 -0.016 0.000 0.947 480 T HN 2.079 nan 8.240 nan 0.000 0.536 481 G N 0.479 109.265 108.800 -0.023 0.000 2.232 481 G HA2 0.162 4.121 3.960 -0.001 0.000 0.226 481 G HA3 0.162 4.121 3.960 -0.001 0.000 0.226 481 G C 0.613 175.493 174.900 -0.034 0.000 0.996 481 G CA 0.097 45.182 45.100 -0.025 0.000 0.626 481 G HN 2.038 nan 8.290 nan 0.000 0.509 482 V N 1.855 121.745 119.914 -0.040 0.000 2.485 482 V HA 0.559 4.679 4.120 -0.001 0.000 0.287 482 V C 0.831 176.864 176.094 -0.102 0.000 1.022 482 V CA 0.899 63.163 62.300 -0.061 0.000 1.067 482 V CB 0.115 31.913 31.823 -0.042 0.000 0.967 482 V HN 0.421 nan 8.190 nan 0.000 0.479 483 K N 4.045 124.391 120.400 -0.090 0.000 2.102 483 K HA 0.409 4.729 4.320 -0.001 0.000 0.244 483 K C 1.061 177.581 176.600 -0.134 0.000 1.021 483 K CA -0.484 55.750 56.287 -0.090 0.000 0.913 483 K CB 1.260 33.733 32.500 -0.045 0.000 1.062 483 K HN 0.755 nan 8.250 nan 0.000 0.485 484 R N 0.690 121.128 120.500 -0.104 0.000 2.132 484 R HA -0.278 4.062 4.340 -0.001 0.000 0.233 484 R C 2.186 178.434 176.300 -0.086 0.000 1.125 484 R CA 2.307 58.344 56.100 -0.105 0.000 0.914 484 R CB -0.697 29.571 30.300 -0.053 0.000 0.845 484 R HN 0.812 nan 8.270 nan 0.000 0.431 485 A N 0.725 123.537 122.820 -0.014 0.000 1.978 485 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 485 A C 1.921 179.508 177.584 0.005 0.000 1.170 485 A CA 1.594 53.657 52.037 0.044 0.000 0.636 485 A CB -0.370 18.706 19.000 0.127 0.000 0.810 485 A HN 0.278 nan 8.150 nan 0.000 0.448 486 E N 0.012 120.187 120.200 -0.042 0.000 2.072 486 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 486 E C 1.860 178.391 176.600 -0.116 0.000 0.985 486 E CA 0.927 57.299 56.400 -0.047 0.000 0.801 486 E CB -0.382 29.281 29.700 -0.062 0.000 0.750 486 E HN 0.710 nan 8.360 nan 0.000 0.452 487 I N 0.002 120.379 120.570 -0.321 0.000 2.252 487 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 487 I C 2.451 178.419 176.117 -0.248 0.000 1.102 487 I CA 1.003 61.917 61.300 -0.643 0.000 1.385 487 I CB -0.241 37.165 38.000 -0.990 0.000 1.064 487 I HN 0.052 nan 8.210 nan 0.000 0.414 488 S N 0.953 116.577 115.700 -0.127 0.000 2.356 488 S HA -0.182 4.287 4.470 -0.001 0.000 0.223 488 S C 1.859 176.500 174.600 0.067 0.000 1.032 488 S CA 1.644 59.838 58.200 -0.009 0.000 1.005 488 S CB -0.268 62.948 63.200 0.027 0.000 0.867 488 S HN 0.420 nan 8.310 nan 0.000 0.449 489 N N 1.222 119.969 118.700 0.078 0.000 2.270 489 N HA 0.037 4.777 4.740 -0.001 0.000 0.181 489 N C 1.918 177.557 175.510 0.215 0.000 1.016 489 N CA 1.084 54.203 53.050 0.115 0.000 0.870 489 N CB -0.518 38.021 38.487 0.087 0.000 0.979 489 N HN 0.501 nan 8.380 nan 0.000 0.431 490 A N 1.527 124.525 122.820 0.297 0.000 1.902 490 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 490 A C 2.249 180.231 177.584 0.663 0.000 1.181 490 A CA 0.857 53.266 52.037 0.620 0.000 0.623 490 A CB -0.537 18.824 19.000 0.603 0.000 0.818 490 A HN 0.170 nan 8.150 nan 0.000 0.443 491 I N -0.218 120.604 120.570 0.420 0.000 2.353 491 I HA -0.179 3.990 4.170 -0.001 0.000 0.248 491 I C 1.587 177.872 176.117 0.281 0.000 1.119 491 I CA 1.181 62.690 61.300 0.348 0.000 1.417 491 I CB -0.394 37.723 38.000 0.196 0.000 1.078 491 I HN 0.264 nan 8.210 nan 0.000 0.421 492 D N 0.653 121.169 120.400 0.194 0.000 2.149 492 D HA -0.163 4.477 4.640 -0.001 0.000 0.201 492 D C 2.170 178.501 176.300 0.052 0.000 0.972 492 D CA 1.117 55.179 54.000 0.104 0.000 0.835 492 D CB -0.220 40.620 40.800 0.066 0.000 0.966 492 D HN 0.450 nan 8.370 nan 0.000 0.476 493 Q N -0.627 119.229 119.800 0.093 0.000 2.224 493 Q HA -0.144 4.196 4.340 -0.001 0.000 0.203 493 Q C 1.874 177.834 176.000 -0.067 0.000 0.970 493 Q CA 0.700 56.492 55.803 -0.017 0.000 0.865 493 Q CB -0.073 28.654 28.738 -0.018 0.000 0.922 493 Q HN 0.404 nan 8.270 nan 0.000 0.445 494 Y N 0.916 121.183 120.300 -0.054 0.000 2.153 494 Y HA -0.208 4.342 4.550 -0.000 0.000 0.289 494 Y C 2.178 178.026 175.900 -0.086 0.000 1.127 494 Y CA 1.504 59.548 58.100 -0.092 0.000 1.131 494 Y CB -0.063 38.496 38.460 0.166 0.000 0.995 494 Y HN 0.014 nan 8.280 nan 0.000 0.505 495 V N -1.806 118.197 119.914 0.149 0.000 2.667 495 V HA -0.115 4.005 4.120 -0.001 0.000 0.252 495 V C 1.812 177.885 176.094 -0.035 0.000 1.065 495 V CA 2.115 64.454 62.300 0.065 0.000 1.083 495 V CB -1.428 30.517 31.823 0.204 0.000 0.692 495 V HN 0.601 nan 8.190 nan 0.000 0.468 496 T N -2.949 111.489 114.554 -0.193 0.000 3.065 496 T HA 0.377 4.726 4.350 -0.001 0.000 0.252 496 T C 1.600 176.185 174.700 -0.192 0.000 1.099 496 T CA 0.674 62.563 62.100 -0.351 0.000 1.063 496 T CB 0.001 68.541 68.868 -0.548 0.000 0.948 496 T HN 1.730 nan 8.240 nan 0.000 0.506 497 G N 1.980 110.654 108.800 -0.209 0.000 2.256 497 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.272 497 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.272 497 G C 0.365 175.149 174.900 -0.192 0.000 1.076 497 G CA 0.406 45.375 45.100 -0.218 0.000 0.882 497 G HN 1.227 nan 8.290 nan 0.000 0.497 498 T N -2.663 111.771 114.554 -0.199 0.000 3.415 498 T HA 0.548 4.897 4.350 -0.001 0.000 0.282 498 T C 1.807 176.400 174.700 -0.177 0.000 1.007 498 T CA 0.260 62.264 62.100 -0.159 0.000 0.958 498 T CB -0.040 68.754 68.868 -0.123 0.000 1.171 498 T HN 0.270 nan 8.240 nan 0.000 0.500 499 I N 1.615 122.019 120.570 -0.276 0.000 2.353 499 I HA 0.276 4.446 4.170 -0.001 0.000 0.248 499 I C 1.689 177.685 176.117 -0.202 0.000 1.119 499 I CA 1.150 62.240 61.300 -0.350 0.000 1.417 499 I CB -0.595 36.972 38.000 -0.722 0.000 1.078 499 I HN 0.765 nan 8.210 nan 0.000 0.421 500 G N 0.511 109.207 108.800 -0.173 0.000 2.707 500 G HA2 0.039 3.999 3.960 -0.001 0.000 0.686 500 G HA3 0.039 3.999 3.960 -0.001 0.000 0.686 500 G C -0.622 174.224 174.900 -0.090 0.000 1.315 500 G CA -0.297 44.741 45.100 -0.103 0.000 0.832 500 G HN 0.480 nan 8.290 nan 0.000 0.573 501 E N -0.501 119.666 120.200 -0.055 0.000 2.390 501 E HA 0.775 5.125 4.350 -0.001 0.000 0.249 501 E C 0.989 177.582 176.600 -0.012 0.000 0.981 501 E CA 0.770 57.147 56.400 -0.039 0.000 0.860 501 E CB 0.275 29.952 29.700 -0.039 0.000 1.278 501 E HN 1.614 nan 8.360 nan 0.000 0.416 502 D N -1.382 119.016 120.400 -0.004 0.000 3.927 502 D HA -0.329 4.311 4.640 -0.001 0.000 0.142 502 D C 1.632 177.946 176.300 0.023 0.000 0.830 502 D CA 3.146 57.151 54.000 0.008 0.000 1.091 502 D CB -1.288 39.514 40.800 0.003 0.000 0.495 502 D HN 0.988 nan 8.370 nan 0.000 0.489 503 E N 1.695 121.909 120.200 0.023 0.000 2.038 503 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 503 E C 1.655 178.287 176.600 0.054 0.000 1.000 503 E CA 2.549 58.970 56.400 0.036 0.000 0.803 503 E CB -0.941 28.776 29.700 0.029 0.000 0.750 503 E HN 0.588 nan 8.360 nan 0.000 0.448 504 D N 0.063 120.489 120.400 0.044 0.000 2.157 504 D HA -0.187 4.453 4.640 -0.001 0.000 0.191 504 D C 2.031 178.394 176.300 0.104 0.000 1.004 504 D CA 1.760 55.795 54.000 0.058 0.000 0.854 504 D CB -0.393 40.416 40.800 0.015 0.000 0.936 504 D HN 0.337 nan 8.370 nan 0.000 0.446 505 L N 1.138 122.409 121.223 0.080 0.000 2.005 505 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 505 L C 2.850 179.844 176.870 0.206 0.000 1.072 505 L CA 1.759 56.678 54.840 0.131 0.000 0.744 505 L CB -1.094 41.002 42.059 0.062 0.000 0.895 505 L HN 0.135 nan 8.230 nan 0.000 0.433 506 I N -0.810 119.839 120.570 0.132 0.000 2.151 506 I HA -0.328 3.841 4.170 -0.001 0.000 0.243 506 I C 2.771 178.974 176.117 0.143 0.000 1.080 506 I CA 3.218 64.588 61.300 0.117 0.000 1.339 506 I CB -2.192 35.852 38.000 0.074 0.000 1.039 506 I HN 0.448 nan 8.210 nan 0.000 0.409 507 K N -0.864 119.627 120.400 0.151 0.000 2.032 507 K HA -0.290 4.029 4.320 -0.001 0.000 0.209 507 K C 2.040 178.775 176.600 0.224 0.000 1.048 507 K CA 1.986 58.366 56.287 0.154 0.000 0.927 507 K CB -1.727 30.858 32.500 0.142 0.000 0.712 507 K HN 0.934 nan 8.250 nan 0.000 0.441 508 W N 1.465 122.829 121.300 0.107 0.000 2.332 508 W HA -0.224 4.436 4.660 -0.000 0.000 0.321 508 W C 2.858 179.535 176.519 0.264 0.000 1.219 508 W CA 3.613 61.071 57.345 0.187 0.000 1.277 508 W CB -0.421 29.129 29.460 0.149 0.000 1.161 508 W HN 0.369 nan 8.180 nan 0.000 0.476 509 K N 0.343 120.907 120.400 0.273 0.000 2.218 509 K HA -0.029 4.290 4.320 -0.001 0.000 0.205 509 K C 1.876 178.492 176.600 0.027 0.000 1.046 509 K CA 2.025 58.336 56.287 0.041 0.000 0.933 509 K CB -1.665 30.907 32.500 0.121 0.000 0.728 509 K HN 0.480 nan 8.250 nan 0.000 0.454 510 A N 0.494 123.344 122.820 0.050 0.000 2.121 510 A HA 0.160 4.480 4.320 -0.001 0.000 0.218 510 A C 2.237 179.798 177.584 -0.039 0.000 1.154 510 A CA 1.206 53.251 52.037 0.013 0.000 0.679 510 A CB -0.284 18.735 19.000 0.031 0.000 0.795 510 A HN 0.476 nan 8.150 nan 0.000 0.458 511 L N -1.970 119.200 121.223 -0.089 0.000 2.341 511 L HA 0.138 4.478 4.340 -0.001 0.000 0.214 511 L C -0.093 176.469 176.870 -0.513 0.000 1.115 511 L CA -0.108 54.583 54.840 -0.248 0.000 0.820 511 L CB -0.229 41.644 42.059 -0.311 0.000 0.944 511 L HN 0.251 nan 8.230 nan 0.000 0.452 512 F N 0.683 120.337 119.950 -0.493 0.000 2.404 512 F HA 0.293 4.820 4.527 -0.000 0.000 0.345 512 F C 1.297 176.888 175.800 -0.349 0.000 1.110 512 F CA -0.687 56.955 58.000 -0.596 0.000 1.130 512 F CB 0.563 39.115 39.000 -0.747 0.000 1.129 512 F HN -0.125 nan 8.300 nan 0.000 0.500 513 E N 1.718 121.817 120.200 -0.168 0.000 2.330 513 E HA 0.461 4.810 4.350 -0.001 0.000 0.210 513 E C 0.222 176.774 176.600 -0.082 0.000 1.256 513 E CA 0.557 56.897 56.400 -0.100 0.000 1.346 513 E CB -0.785 28.861 29.700 -0.089 0.000 1.308 513 E HN 0.832 nan 8.360 nan 0.000 0.441 514 E N -1.218 118.936 120.200 -0.076 0.000 2.482 514 E HA 0.321 4.671 4.350 -0.001 0.000 0.231 514 E C -0.425 176.092 176.600 -0.139 0.000 1.175 514 E CA -0.029 56.319 56.400 -0.087 0.000 0.512 514 E CB -1.269 28.380 29.700 -0.084 0.000 1.001 514 E HN 0.661 nan 8.360 nan 0.000 0.424 515 V N 4.053 123.872 119.914 -0.158 0.000 2.486 515 V HA 0.233 4.353 4.120 -0.001 0.000 0.290 515 V C -1.106 174.835 176.094 -0.256 0.000 0.991 515 V CA 0.253 62.379 62.300 -0.291 0.000 1.142 515 V CB 0.295 32.028 31.823 -0.151 0.000 0.926 515 V HN 0.718 nan 8.190 nan 0.000 0.472 516 P HA 0.323 nan 4.420 nan 0.000 0.282 516 P C -0.509 176.805 177.300 0.023 0.000 1.249 516 P CA -0.688 62.303 63.100 -0.182 0.000 0.806 516 P CB 1.123 32.642 31.700 -0.301 0.000 0.984 517 E N 1.153 121.378 120.200 0.041 0.000 2.344 517 E HA 0.170 4.520 4.350 -0.001 0.000 0.270 517 E C 0.062 176.724 176.600 0.104 0.000 1.021 517 E CA -0.023 56.410 56.400 0.053 0.000 0.887 517 E CB -0.077 29.629 29.700 0.009 0.000 0.997 517 E HN 0.323 nan 8.360 nan 0.000 0.429 518 L N 3.079 124.300 121.223 -0.003 0.000 2.482 518 L HA 0.102 4.442 4.340 -0.001 0.000 0.273 518 L C 0.299 177.022 176.870 -0.244 0.000 1.228 518 L CA -0.184 54.508 54.840 -0.247 0.000 0.827 518 L CB 0.054 41.917 42.059 -0.327 0.000 1.099 518 L HN 0.331 nan 8.230 nan 0.000 0.494 519 L N 1.135 122.116 121.223 -0.404 0.000 2.312 519 L HA 0.306 4.645 4.340 -0.001 0.000 0.281 519 L C 0.628 177.366 176.870 -0.220 0.000 1.070 519 L CA -0.590 54.079 54.840 -0.285 0.000 0.805 519 L CB 1.495 43.330 42.059 -0.374 0.000 1.174 519 L HN 0.697 nan 8.230 nan 0.000 0.434 520 T N -2.112 112.361 114.554 -0.135 0.000 2.868 520 T HA 0.108 4.457 4.350 -0.001 0.000 0.292 520 T C 0.993 175.652 174.700 -0.068 0.000 1.028 520 T CA -0.792 61.252 62.100 -0.094 0.000 1.059 520 T CB 1.332 70.167 68.868 -0.056 0.000 0.991 520 T HN 0.493 nan 8.240 nan 0.000 0.531 521 E N 0.924 121.094 120.200 -0.051 0.000 2.219 521 E HA -0.143 4.207 4.350 -0.001 0.000 0.198 521 E C 2.257 178.859 176.600 0.004 0.000 0.998 521 E CA 1.473 57.860 56.400 -0.022 0.000 0.818 521 E CB -0.803 28.887 29.700 -0.018 0.000 0.741 521 E HN 0.834 nan 8.360 nan 0.000 0.477 522 A N 1.178 123.999 122.820 0.002 0.000 1.872 522 A HA -0.170 4.150 4.320 -0.001 0.000 0.214 522 A C 2.034 179.647 177.584 0.049 0.000 1.187 522 A CA 1.313 53.364 52.037 0.023 0.000 0.614 522 A CB -0.392 18.617 19.000 0.015 0.000 0.826 522 A HN 0.202 nan 8.150 nan 0.000 0.442 523 E N -0.003 120.216 120.200 0.033 0.000 2.153 523 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 523 E C 1.991 178.660 176.600 0.114 0.000 0.988 523 E CA 1.339 57.778 56.400 0.065 0.000 0.811 523 E CB -0.145 29.552 29.700 -0.005 0.000 0.746 523 E HN 0.588 nan 8.360 nan 0.000 0.466 524 K N 0.657 121.096 120.400 0.065 0.000 2.062 524 K HA -0.103 4.217 4.320 -0.001 0.000 0.205 524 K C 2.528 179.245 176.600 0.195 0.000 1.051 524 K CA 1.528 57.890 56.287 0.124 0.000 0.941 524 K CB -0.110 32.424 32.500 0.058 0.000 0.719 524 K HN 0.002 nan 8.250 nan 0.000 0.440 525 K N 1.305 121.781 120.400 0.127 0.000 2.057 525 K HA -0.146 4.173 4.320 -0.001 0.000 0.207 525 K C 2.231 178.917 176.600 0.143 0.000 1.049 525 K CA 1.970 58.324 56.287 0.111 0.000 0.931 525 K CB -1.502 31.037 32.500 0.064 0.000 0.714 525 K HN 0.431 nan 8.250 nan 0.000 0.440 526 E N -0.065 120.233 120.200 0.165 0.000 2.077 526 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 526 E C 1.899 178.661 176.600 0.270 0.000 0.989 526 E CA 1.394 57.902 56.400 0.181 0.000 0.800 526 E CB -0.993 28.814 29.700 0.179 0.000 0.746 526 E HN 0.783 nan 8.360 nan 0.000 0.452 527 W N 0.508 121.907 121.300 0.165 0.000 2.381 527 W HA -0.143 4.517 4.660 -0.001 0.000 0.301 527 W C 1.985 178.725 176.519 0.369 0.000 1.205 527 W CA 1.652 59.140 57.345 0.239 0.000 1.285 527 W CB -0.060 29.551 29.460 0.252 0.000 1.133 527 W HN 0.239 nan 8.180 nan 0.000 0.521 528 V N 1.011 121.119 119.914 0.324 0.000 2.490 528 V HA -0.297 3.823 4.120 -0.001 0.000 0.250 528 V C 2.164 178.271 176.094 0.020 0.000 1.061 528 V CA 2.287 64.722 62.300 0.224 0.000 1.064 528 V CB -0.929 30.998 31.823 0.174 0.000 0.670 528 V HN 0.196 nan 8.190 nan 0.000 0.461 529 E N -0.013 120.203 120.200 0.027 0.000 2.265 529 E HA -0.211 4.138 4.350 -0.001 0.000 0.196 529 E C 2.030 178.566 176.600 -0.105 0.000 0.996 529 E CA 0.813 57.194 56.400 -0.033 0.000 0.832 529 E CB 0.048 29.752 29.700 0.008 0.000 0.756 529 E HN 0.573 nan 8.360 nan 0.000 0.491 530 K N 0.158 120.471 120.400 -0.145 0.000 2.418 530 K HA -0.026 4.294 4.320 -0.001 0.000 0.195 530 K C 0.452 176.798 176.600 -0.422 0.000 1.035 530 K CA -0.187 55.964 56.287 -0.228 0.000 1.003 530 K CB 0.073 32.397 32.500 -0.294 0.000 0.793 530 K HN 0.069 nan 8.250 nan 0.000 0.494 531 L N 2.316 123.150 121.223 -0.647 0.000 2.462 531 L HA 0.021 4.361 4.340 -0.001 0.000 0.272 531 L C 0.045 176.595 176.870 -0.533 0.000 1.166 531 L CA 0.807 55.023 54.840 -1.040 0.000 0.880 531 L CB 0.437 41.854 42.059 -1.070 0.000 1.142 531 L HN 0.115 nan 8.230 nan 0.000 0.473 532 T N 0.744 115.019 114.554 -0.464 0.000 2.887 532 T HA 0.500 4.849 4.350 -0.001 0.000 0.292 532 T C -0.279 174.323 174.700 -0.163 0.000 1.087 532 T CA -0.616 61.333 62.100 -0.252 0.000 1.009 532 T CB 1.251 70.009 68.868 -0.185 0.000 1.203 532 T HN 0.630 nan 8.240 nan 0.000 0.518 533 E N -0.354 119.793 120.200 -0.087 0.000 2.228 533 E HA -0.111 4.239 4.350 -0.001 0.000 0.213 533 E C -0.613 176.030 176.600 0.071 0.000 1.282 533 E CA 0.047 56.475 56.400 0.047 0.000 0.707 533 E CB -1.611 28.148 29.700 0.098 0.000 1.150 533 E HN 0.496 nan 8.360 nan 0.000 0.362 534 V N 0.814 120.735 119.914 0.012 0.000 2.612 534 V HA 0.384 4.503 4.120 -0.001 0.000 0.301 534 V C 0.588 176.734 176.094 0.087 0.000 1.046 534 V CA -0.467 61.853 62.300 0.034 0.000 0.946 534 V CB 2.122 33.962 31.823 0.029 0.000 1.003 534 V HN 0.212 nan 8.190 nan 0.000 0.459 535 S N 3.302 119.041 115.700 0.064 0.000 2.568 535 S HA 0.754 5.224 4.470 -0.001 0.000 0.302 535 S C -0.649 173.910 174.600 -0.069 0.000 1.082 535 S CA -0.435 57.793 58.200 0.046 0.000 1.009 535 S CB 1.679 64.880 63.200 0.002 0.000 1.069 535 S HN 0.653 nan 8.310 nan 0.000 0.500 536 I N 1.364 121.873 120.570 -0.102 0.000 2.686 536 I HA 0.640 4.810 4.170 -0.001 0.000 0.295 536 I C -1.105 174.972 176.117 -0.066 0.000 1.114 536 I CA -0.179 61.002 61.300 -0.198 0.000 1.038 536 I CB 2.081 39.834 38.000 -0.412 0.000 1.238 536 I HN 0.631 nan 8.210 nan 0.000 0.420 537 S N 4.391 120.060 115.700 -0.052 0.000 2.538 537 S HA 0.619 5.088 4.470 -0.001 0.000 0.288 537 S C -1.242 173.336 174.600 -0.037 0.000 1.108 537 S CA -0.382 57.814 58.200 -0.008 0.000 0.971 537 S CB 1.755 64.974 63.200 0.031 0.000 1.041 537 S HN 0.661 nan 8.310 nan 0.000 0.483 538 S N 1.873 117.498 115.700 -0.124 0.000 2.500 538 S HA 0.373 4.843 4.470 -0.001 0.000 0.301 538 S C 0.432 174.926 174.600 -0.177 0.000 1.092 538 S CA -0.607 57.478 58.200 -0.192 0.000 1.030 538 S CB 1.156 63.999 63.200 -0.595 0.000 1.031 538 S HN 0.855 nan 8.310 nan 0.000 0.483 539 D N 2.967 123.311 120.400 -0.094 0.000 2.371 539 D HA 0.231 4.871 4.640 -0.001 0.000 0.221 539 D C 0.414 176.578 176.300 -0.226 0.000 0.986 539 D CA 0.491 54.433 54.000 -0.097 0.000 0.899 539 D CB -0.022 40.796 40.800 0.029 0.000 0.902 539 D HN 0.546 nan 8.370 nan 0.000 0.530 540 A N -0.428 122.235 122.820 -0.261 0.000 2.594 540 A HA 0.550 4.870 4.320 -0.001 0.000 0.291 540 A C -0.613 176.728 177.584 -0.404 0.000 1.105 540 A CA -1.128 50.663 52.037 -0.410 0.000 0.694 540 A CB 0.514 19.259 19.000 -0.425 0.000 1.291 540 A HN 0.158 nan 8.150 nan 0.000 0.410 541 F N -0.370 119.428 119.950 -0.253 0.000 2.626 541 F HA 0.541 5.067 4.527 -0.001 0.000 0.354 541 F C -0.748 174.971 175.800 -0.136 0.000 1.168 541 F CA -0.619 57.241 58.000 -0.233 0.000 1.368 541 F CB -0.325 38.566 39.000 -0.181 0.000 1.092 541 F HN 0.251 nan 8.300 nan 0.000 0.612 542 F N 3.679 123.817 119.950 0.313 0.000 2.424 542 F HA 0.359 4.885 4.527 -0.000 0.000 0.356 542 F C -1.440 174.501 175.800 0.235 0.000 1.110 542 F CA -2.340 55.780 58.000 0.200 0.000 1.161 542 F CB 0.702 39.790 39.000 0.147 0.000 1.115 542 F HN 0.316 nan 8.300 nan 0.000 0.507 543 P HA -0.095 nan 4.420 nan 0.000 0.214 543 P C -0.383 176.681 177.300 -0.393 0.000 1.162 543 P CA 1.600 64.615 63.100 -0.143 0.000 0.879 543 P CB 0.260 31.712 31.700 -0.413 0.000 0.786 544 F N -2.589 117.470 119.950 0.181 0.000 2.654 544 F HA 0.389 4.915 4.527 -0.000 0.000 0.334 544 F C 1.737 177.564 175.800 0.044 0.000 1.078 544 F CA -1.114 56.945 58.000 0.098 0.000 0.986 544 F CB 0.289 39.330 39.000 0.068 0.000 1.362 544 F HN -0.341 nan 8.300 nan 0.000 0.498 545 R N -0.360 120.288 120.500 0.247 0.000 2.316 545 R HA -0.041 4.299 4.340 -0.001 0.000 0.202 545 R C 0.624 176.930 176.300 0.011 0.000 1.029 545 R CA 1.414 57.564 56.100 0.084 0.000 1.018 545 R CB -0.788 29.548 30.300 0.061 0.000 0.888 545 R HN 0.616 nan 8.270 nan 0.000 0.471 546 D N 1.238 121.670 120.400 0.054 0.000 2.149 546 D HA -0.233 4.407 4.640 -0.001 0.000 0.198 546 D C 1.100 177.352 176.300 -0.081 0.000 0.990 546 D CA 1.228 55.231 54.000 0.005 0.000 0.839 546 D CB -0.604 40.228 40.800 0.053 0.000 0.948 546 D HN 0.238 nan 8.370 nan 0.000 0.460 547 N N 0.455 119.045 118.700 -0.184 0.000 2.069 547 N HA -0.121 4.618 4.740 -0.001 0.000 0.191 547 N C 2.045 177.310 175.510 -0.409 0.000 1.031 547 N CA 1.372 54.162 53.050 -0.434 0.000 0.852 547 N CB -0.275 37.542 38.487 -1.118 0.000 1.018 547 N HN 0.182 nan 8.380 nan 0.000 0.423 548 V N 2.054 121.763 119.914 -0.343 0.000 2.407 548 V HA -0.188 3.932 4.120 -0.001 0.000 0.248 548 V C 1.758 177.781 176.094 -0.119 0.000 1.055 548 V CA 1.561 63.740 62.300 -0.201 0.000 1.049 548 V CB -0.447 31.309 31.823 -0.112 0.000 0.662 548 V HN 0.177 nan 8.190 nan 0.000 0.455 549 D N 0.023 120.367 120.400 -0.092 0.000 2.084 549 D HA -0.179 4.460 4.640 -0.001 0.000 0.194 549 D C 2.314 178.587 176.300 -0.046 0.000 0.990 549 D CA 1.447 55.413 54.000 -0.056 0.000 0.826 549 D CB -0.295 40.481 40.800 -0.040 0.000 0.971 549 D HN 0.237 nan 8.370 nan 0.000 0.453 550 R N 1.326 121.800 120.500 -0.044 0.000 2.091 550 R HA -0.069 4.271 4.340 -0.001 0.000 0.238 550 R C 1.971 178.289 176.300 0.030 0.000 1.136 550 R CA 1.781 57.876 56.100 -0.009 0.000 0.959 550 R CB -0.797 29.505 30.300 0.003 0.000 0.856 550 R HN 0.097 nan 8.270 nan 0.000 0.437 551 A N 0.693 123.518 122.820 0.008 0.000 1.865 551 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 551 A C 2.108 179.712 177.584 0.033 0.000 1.191 551 A CA 2.041 54.106 52.037 0.047 0.000 0.623 551 A CB -0.675 18.273 19.000 -0.086 0.000 0.826 551 A HN 0.366 nan 8.150 nan 0.000 0.444 552 K N 0.189 120.573 120.400 -0.028 0.000 2.160 552 K HA -0.120 4.200 4.320 -0.001 0.000 0.206 552 K C 1.821 178.400 176.600 -0.034 0.000 1.047 552 K CA 1.586 57.845 56.287 -0.046 0.000 0.930 552 K CB -0.290 32.175 32.500 -0.058 0.000 0.720 552 K HN 0.474 nan 8.250 nan 0.000 0.450 553 R N -0.343 120.147 120.500 -0.016 0.000 2.346 553 R HA 0.073 4.413 4.340 -0.001 0.000 0.199 553 R C 0.128 176.415 176.300 -0.021 0.000 1.015 553 R CA 0.600 56.688 56.100 -0.020 0.000 1.058 553 R CB 0.143 30.433 30.300 -0.017 0.000 0.921 553 R HN -0.015 nan 8.270 nan 0.000 0.475 554 S N -0.572 115.129 115.700 0.002 0.000 2.794 554 S HA 0.220 4.690 4.470 -0.001 0.000 0.244 554 S C 0.544 175.132 174.600 -0.020 0.000 1.045 554 S CA 0.115 58.311 58.200 -0.007 0.000 1.114 554 S CB 1.566 64.781 63.200 0.026 0.000 1.085 554 S HN 0.548 nan 8.310 nan 0.000 0.488 555 G N 0.957 109.706 108.800 -0.085 0.000 2.175 555 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.265 555 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.265 555 G C 0.229 175.069 174.900 -0.100 0.000 0.979 555 G CA 0.342 45.364 45.100 -0.130 0.000 0.663 555 G HN 0.555 nan 8.290 nan 0.000 0.533 556 V N 0.295 120.175 119.914 -0.057 0.000 2.529 556 V HA 0.466 4.586 4.120 -0.001 0.000 0.292 556 V C 1.254 177.230 176.094 -0.198 0.000 1.028 556 V CA 1.207 63.453 62.300 -0.091 0.000 1.074 556 V CB 1.226 33.003 31.823 -0.076 0.000 0.958 556 V HN 0.982 nan 8.190 nan 0.000 0.481 557 A N 4.716 127.326 122.820 -0.351 0.000 2.498 557 A HA 0.459 4.779 4.320 -0.001 0.000 0.238 557 A C 0.006 177.017 177.584 -0.955 0.000 1.225 557 A CA 0.080 51.702 52.037 -0.693 0.000 0.978 557 A CB 0.474 18.907 19.000 -0.945 0.000 1.142 557 A HN 0.701 nan 8.150 nan 0.000 0.552 558 Y N -0.738 119.522 120.300 -0.066 0.000 2.457 558 Y HA 0.731 5.281 4.550 -0.000 0.000 0.343 558 Y C -0.490 175.373 175.900 -0.061 0.000 0.994 558 Y CA -1.002 57.058 58.100 -0.066 0.000 1.031 558 Y CB 1.484 39.891 38.460 -0.088 0.000 1.246 558 Y HN -0.002 nan 8.280 nan 0.000 0.449 559 I N 2.383 123.012 120.570 0.098 0.000 2.619 559 I HA 0.817 4.986 4.170 -0.001 0.000 0.292 559 I C -0.869 175.316 176.117 0.114 0.000 1.100 559 I CA -1.097 60.256 61.300 0.089 0.000 1.043 559 I CB 2.274 40.343 38.000 0.116 0.000 1.239 559 I HN 0.758 nan 8.210 nan 0.000 0.420 560 A N 4.579 127.470 122.820 0.120 0.000 2.371 560 A HA 1.010 5.330 4.320 -0.001 0.000 0.311 560 A C -0.925 176.702 177.584 0.073 0.000 1.068 560 A CA -0.423 51.721 52.037 0.179 0.000 0.744 560 A CB 1.798 21.021 19.000 0.371 0.000 1.239 560 A HN 1.006 nan 8.150 nan 0.000 0.435 561 A N 2.645 125.502 122.820 0.061 0.000 2.590 561 A HA 0.785 5.105 4.320 -0.001 0.000 0.294 561 A C -3.372 174.202 177.584 -0.018 0.000 1.046 561 A CA -1.088 50.896 52.037 -0.089 0.000 0.684 561 A CB 0.728 19.529 19.000 -0.332 0.000 1.279 561 A HN 0.497 nan 8.150 nan 0.000 0.415 562 P HA 0.298 nan 4.420 nan 0.000 0.270 562 P C 0.259 177.424 177.300 -0.224 0.000 1.223 562 P CA 0.150 63.168 63.100 -0.136 0.000 0.785 562 P CB 0.836 32.453 31.700 -0.140 0.000 0.923 563 S N 0.232 115.675 115.700 -0.428 0.000 2.738 563 S HA 0.718 5.188 4.470 -0.001 0.000 0.284 563 S C 0.903 175.287 174.600 -0.361 0.000 1.146 563 S CA 0.139 57.887 58.200 -0.754 0.000 0.997 563 S CB 0.899 63.613 63.200 -0.810 0.000 1.081 563 S HN 0.777 nan 8.310 nan 0.000 0.553 564 G N -0.573 107.947 108.800 -0.466 0.000 2.672 564 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.197 564 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.197 564 G C 0.094 174.379 174.900 -1.024 0.000 0.995 564 G CA 0.103 44.866 45.100 -0.560 0.000 0.754 564 G HN 1.108 nan 8.290 nan 0.000 0.505 565 S N 0.335 115.378 115.700 -1.095 0.000 2.601 565 S HA 0.665 5.135 4.470 -0.001 0.000 0.271 565 S C 1.784 176.145 174.600 -0.398 0.000 1.305 565 S CA 0.858 58.511 58.200 -0.910 0.000 1.022 565 S CB 1.369 64.263 63.200 -0.510 0.000 0.940 565 S HN 1.422 nan 8.310 nan 0.000 0.525 566 A N 3.165 125.827 122.820 -0.262 0.000 2.066 566 A HA 0.281 4.601 4.320 -0.001 0.000 0.218 566 A C 1.893 179.451 177.584 -0.044 0.000 1.157 566 A CA 1.263 53.230 52.037 -0.116 0.000 0.670 566 A CB -0.833 18.136 19.000 -0.052 0.000 0.804 566 A HN 1.149 nan 8.150 nan 0.000 0.453 567 A N -0.531 122.273 122.820 -0.027 0.000 2.307 567 A HA 0.199 4.519 4.320 -0.001 0.000 0.218 567 A C 1.139 178.763 177.584 0.066 0.000 1.228 567 A CA 0.678 52.757 52.037 0.071 0.000 0.857 567 A CB -0.369 18.747 19.000 0.192 0.000 0.897 567 A HN 0.334 nan 8.150 nan 0.000 0.495 568 D N 1.002 121.410 120.400 0.014 0.000 2.170 568 D HA -0.210 4.430 4.640 -0.001 0.000 0.193 568 D C 2.332 178.700 176.300 0.112 0.000 1.004 568 D CA 2.291 56.345 54.000 0.090 0.000 0.860 568 D CB -0.119 40.703 40.800 0.037 0.000 0.931 568 D HN 0.568 nan 8.370 nan 0.000 0.448 569 K N 0.648 121.088 120.400 0.066 0.000 2.026 569 K HA -0.097 4.222 4.320 -0.001 0.000 0.208 569 K C 2.386 179.019 176.600 0.054 0.000 1.048 569 K CA 1.816 58.135 56.287 0.053 0.000 0.929 569 K CB -1.500 31.021 32.500 0.035 0.000 0.713 569 K HN 0.286 nan 8.250 nan 0.000 0.439 570 V N -1.749 118.205 119.914 0.067 0.000 2.667 570 V HA -0.106 4.014 4.120 -0.001 0.000 0.252 570 V C 2.238 178.373 176.094 0.068 0.000 1.065 570 V CA 1.577 63.915 62.300 0.064 0.000 1.083 570 V CB -0.381 31.490 31.823 0.081 0.000 0.692 570 V HN 0.218 nan 8.190 nan 0.000 0.468 571 V N 0.442 120.414 119.914 0.096 0.000 2.323 571 V HA -0.143 3.977 4.120 -0.001 0.000 0.244 571 V C 2.533 178.654 176.094 0.045 0.000 1.041 571 V CA 2.386 64.745 62.300 0.099 0.000 1.025 571 V CB -0.410 31.521 31.823 0.179 0.000 0.656 571 V HN 0.446 nan 8.190 nan 0.000 0.451 572 I N 0.557 121.145 120.570 0.030 0.000 2.226 572 I HA -0.239 3.931 4.170 -0.001 0.000 0.245 572 I C 2.927 179.035 176.117 -0.015 0.000 1.100 572 I CA 1.912 63.196 61.300 -0.027 0.000 1.374 572 I CB -0.686 37.303 38.000 -0.018 0.000 1.057 572 I HN 0.492 nan 8.210 nan 0.000 0.413 573 E N 1.112 121.314 120.200 0.004 0.000 2.106 573 E HA -0.115 4.235 4.350 -0.001 0.000 0.192 573 E C 2.282 178.878 176.600 -0.005 0.000 0.984 573 E CA 1.261 57.661 56.400 0.000 0.000 0.806 573 E CB -0.737 28.967 29.700 0.008 0.000 0.750 573 E HN 0.607 nan 8.360 nan 0.000 0.458 574 A N 0.001 122.822 122.820 0.000 0.000 1.933 574 A HA -0.077 4.243 4.320 -0.001 0.000 0.218 574 A C 2.610 180.180 177.584 -0.023 0.000 1.175 574 A CA 1.520 53.552 52.037 -0.008 0.000 0.628 574 A CB -0.921 18.080 19.000 0.001 0.000 0.814 574 A HN 0.620 nan 8.150 nan 0.000 0.444 575 C N -0.534 118.751 119.300 -0.026 0.000 2.462 575 C HA -0.071 4.389 4.460 -0.001 0.000 0.278 575 C C 2.333 177.297 174.990 -0.042 0.000 1.253 575 C CA 0.943 59.937 59.018 -0.040 0.000 1.713 575 C CB -1.108 26.606 27.740 -0.044 0.000 2.049 575 C HN 0.600 nan 8.230 nan 0.000 0.477 576 D N 0.373 120.754 120.400 -0.033 0.000 2.190 576 D HA -0.165 4.475 4.640 -0.001 0.000 0.200 576 D C 2.057 178.340 176.300 -0.029 0.000 0.992 576 D CA 1.273 55.256 54.000 -0.029 0.000 0.854 576 D CB -0.452 40.335 40.800 -0.020 0.000 0.936 576 D HN 0.688 nan 8.370 nan 0.000 0.462 577 E N 0.410 120.593 120.200 -0.028 0.000 2.008 577 E HA -0.086 4.264 4.350 -0.001 0.000 0.191 577 E C 1.965 178.543 176.600 -0.036 0.000 0.986 577 E CA 0.403 56.787 56.400 -0.027 0.000 0.807 577 E CB -0.067 29.620 29.700 -0.022 0.000 0.766 577 E HN 0.193 nan 8.360 nan 0.000 0.450 578 L N 0.220 121.416 121.223 -0.044 0.000 2.622 578 L HA 0.104 4.444 4.340 -0.001 0.000 0.233 578 L C 1.272 178.100 176.870 -0.070 0.000 1.156 578 L CA 0.475 55.282 54.840 -0.055 0.000 0.866 578 L CB -0.211 41.811 42.059 -0.060 0.000 0.980 578 L HN 0.547 nan 8.230 nan 0.000 0.448 579 G N 0.897 109.658 108.800 -0.065 0.000 2.160 579 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.251 579 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.251 579 G C 0.163 174.996 174.900 -0.111 0.000 1.008 579 G CA -0.021 45.034 45.100 -0.076 0.000 0.724 579 G HN 0.344 nan 8.290 nan 0.000 0.514 580 I N 0.656 121.159 120.570 -0.111 0.000 2.428 580 I HA 0.426 4.596 4.170 -0.001 0.000 0.296 580 I C 0.953 177.012 176.117 -0.096 0.000 0.985 580 I CA -0.986 60.225 61.300 -0.148 0.000 1.260 580 I CB 1.275 39.198 38.000 -0.129 0.000 1.389 580 I HN -0.031 nan 8.210 nan 0.000 0.484 581 I N 6.217 126.734 120.570 -0.087 0.000 2.396 581 I HA 0.251 4.420 4.170 -0.001 0.000 0.292 581 I C -0.590 175.540 176.117 0.022 0.000 0.999 581 I CA -0.511 60.793 61.300 0.006 0.000 1.310 581 I CB 1.472 39.537 38.000 0.108 0.000 1.404 581 I HN 0.319 nan 8.210 nan 0.000 0.496 582 L N 6.807 128.030 121.223 -0.001 0.000 2.381 582 L HA 0.724 5.064 4.340 -0.001 0.000 0.274 582 L C -0.519 176.340 176.870 -0.018 0.000 0.988 582 L CA -0.202 54.625 54.840 -0.022 0.000 0.824 582 L CB 1.546 43.538 42.059 -0.112 0.000 1.263 582 L HN 0.644 nan 8.230 nan 0.000 0.410 583 A N 3.989 126.843 122.820 0.056 0.000 2.271 583 A HA 0.522 4.841 4.320 -0.001 0.000 0.317 583 A C -0.957 176.711 177.584 0.139 0.000 1.245 583 A CA -0.338 51.765 52.037 0.111 0.000 0.857 583 A CB 0.032 19.173 19.000 0.235 0.000 1.175 583 A HN 0.891 nan 8.150 nan 0.000 0.512 584 H N 1.265 120.355 119.070 0.034 0.000 2.458 584 H HA 0.533 5.089 4.556 -0.001 0.000 0.330 584 H C 0.612 175.916 175.328 -0.040 0.000 1.111 584 H CA 0.124 56.172 56.048 -0.001 0.000 1.245 584 H CB 1.539 31.299 29.762 -0.003 0.000 1.456 584 H HN 0.822 nan 8.280 nan 0.000 0.488 585 T N -0.255 114.315 114.554 0.026 0.000 2.883 585 T HA 0.157 4.507 4.350 -0.001 0.000 0.284 585 T C 0.360 174.992 174.700 -0.114 0.000 1.041 585 T CA -1.062 60.990 62.100 -0.081 0.000 1.007 585 T CB 1.578 70.355 68.868 -0.151 0.000 1.220 585 T HN 0.693 nan 8.240 nan 0.000 0.552 586 N N -0.247 118.379 118.700 -0.124 0.000 2.338 586 N HA 0.235 4.974 4.740 -0.001 0.000 0.251 586 N C -1.080 174.353 175.510 -0.129 0.000 1.199 586 N CA -0.250 52.729 53.050 -0.118 0.000 0.879 586 N CB 0.207 38.636 38.487 -0.097 0.000 1.159 586 N HN 0.436 nan 8.380 nan 0.000 0.514 587 L N 1.745 122.877 121.223 -0.152 0.000 2.401 587 L HA 0.404 4.744 4.340 -0.001 0.000 0.263 587 L C -0.265 176.492 176.870 -0.188 0.000 1.004 587 L CA -0.509 54.234 54.840 -0.162 0.000 0.881 587 L CB 0.953 42.909 42.059 -0.172 0.000 1.219 587 L HN -0.001 nan 8.230 nan 0.000 0.441 588 R N 3.693 124.063 120.500 -0.218 0.000 2.539 588 R HA 0.488 4.828 4.340 -0.001 0.000 0.275 588 R C -0.599 175.534 176.300 -0.278 0.000 1.077 588 R CA -0.278 55.629 56.100 -0.322 0.000 1.097 588 R CB 0.629 30.659 30.300 -0.450 0.000 1.018 588 R HN 0.753 nan 8.270 nan 0.000 0.483 589 L N 4.975 126.031 121.223 -0.277 0.000 3.083 589 L HA 0.311 4.651 4.340 -0.001 0.000 0.286 589 L C -0.759 176.117 176.870 0.009 0.000 1.307 589 L CA -0.606 54.145 54.840 -0.149 0.000 0.897 589 L CB 0.144 42.119 42.059 -0.140 0.000 1.306 589 L HN 0.476 nan 8.230 nan 0.000 0.569 590 F N 0.266 120.165 119.950 -0.085 0.000 2.496 590 F HA 0.226 4.752 4.527 -0.001 0.000 0.344 590 F C 0.697 176.472 175.800 -0.041 0.000 1.155 590 F CA -0.167 57.783 58.000 -0.085 0.000 1.302 590 F CB 0.145 39.126 39.000 -0.031 0.000 1.159 590 F HN 0.152 nan 8.300 nan 0.000 0.595 591 H N 2.448 121.453 119.070 -0.109 0.000 3.017 591 H HA 0.434 4.989 4.556 -0.001 0.000 0.340 591 H C -1.232 173.906 175.328 -0.317 0.000 1.014 591 H CA -0.410 55.564 56.048 -0.123 0.000 1.341 591 H CB 0.604 30.318 29.762 -0.079 0.000 1.739 591 H HN 0.564 nan 8.280 nan 0.000 0.506 592 H N 0.000 118.963 119.070 -0.178 0.000 2.539 592 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 592 H CA 0.000 55.938 56.048 -0.184 0.000 1.023 592 H CB 0.000 29.713 29.762 -0.082 0.000 1.292 592 H HN 0.000 nan 8.280 nan 0.000 0.496