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 1pl0_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 LSMKFKTGVX XAEISNAIDQ 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 3.962 3.960 0.003 0.000 0.244 4 G C 0.000 174.895 174.900 -0.008 0.000 0.946 4 G CA 0.000 45.095 45.100 -0.009 0.000 0.502 5 Q N -0.617 119.175 119.800 -0.013 0.000 2.240 5 Q HA 0.702 5.043 4.340 0.003 0.000 0.260 5 Q C -0.030 175.957 176.000 -0.022 0.000 1.018 5 Q CA -0.850 54.944 55.803 -0.015 0.000 0.898 5 Q CB 2.211 30.938 28.738 -0.018 0.000 1.301 5 Q HN 0.493 nan 8.270 nan 0.000 0.469 6 L N 0.416 121.624 121.223 -0.024 0.000 2.421 6 L HA 0.713 5.054 4.340 0.003 0.000 0.263 6 L C -0.331 176.509 176.870 -0.051 0.000 1.122 6 L CA -0.877 53.946 54.840 -0.029 0.000 0.804 6 L CB 0.741 42.783 42.059 -0.029 0.000 1.150 6 L HN 0.593 nan 8.230 nan 0.000 0.457 7 A N 2.432 125.228 122.820 -0.039 0.000 2.357 7 A HA 0.632 4.954 4.320 0.003 0.000 0.295 7 A C -1.243 176.296 177.584 -0.076 0.000 1.121 7 A CA -0.392 51.583 52.037 -0.105 0.000 0.742 7 A CB 1.256 20.215 19.000 -0.068 0.000 1.181 7 A HN 0.490 nan 8.150 nan 0.000 0.454 8 L N 3.116 124.223 121.223 -0.194 0.000 2.282 8 L HA 0.823 5.165 4.340 0.003 0.000 0.288 8 L C -1.509 175.225 176.870 -0.227 0.000 1.033 8 L CA -0.333 54.441 54.840 -0.109 0.000 0.807 8 L CB 0.238 42.232 42.059 -0.108 0.000 1.209 8 L HN 0.519 nan 8.230 nan 0.000 0.423 9 F N 3.064 123.002 119.950 -0.021 0.000 2.492 9 F HA 0.662 5.193 4.527 0.006 0.000 0.327 9 F C 0.593 176.396 175.800 0.005 0.000 1.079 9 F CA -0.554 57.451 58.000 0.007 0.000 0.967 9 F CB 2.116 41.124 39.000 0.014 0.000 1.169 9 F HN 0.438 nan 8.300 nan 0.000 0.472 10 S N 2.291 118.104 115.700 0.188 0.000 2.849 10 S HA 0.426 4.898 4.470 0.003 0.000 0.141 10 S C -1.544 173.121 174.600 0.109 0.000 1.109 10 S CA -0.577 57.691 58.200 0.114 0.000 1.106 10 S CB -0.262 62.970 63.200 0.053 0.000 1.637 10 S HN 0.612 nan 8.310 nan 0.000 0.457 11 V N 1.317 121.319 119.914 0.147 0.000 2.581 11 V HA 0.797 4.918 4.120 0.003 0.000 0.303 11 V C 1.156 177.317 176.094 0.111 0.000 1.041 11 V CA -0.007 62.375 62.300 0.136 0.000 0.907 11 V CB 1.460 33.403 31.823 0.199 0.000 0.994 11 V HN 0.485 nan 8.190 nan 0.000 0.442 12 S N 1.681 117.449 115.700 0.113 0.000 2.406 12 S HA -0.019 4.452 4.470 0.003 0.000 0.224 12 S C 0.709 175.382 174.600 0.122 0.000 1.030 12 S CA 1.089 59.362 58.200 0.122 0.000 0.958 12 S CB -0.299 63.021 63.200 0.200 0.000 0.811 12 S HN 1.037 nan 8.310 nan 0.000 0.489 13 D N 0.494 120.967 120.400 0.121 0.000 2.373 13 D HA 0.393 5.034 4.640 0.003 0.000 0.227 13 D C 0.278 176.637 176.300 0.097 0.000 1.091 13 D CA -0.302 53.757 54.000 0.098 0.000 0.840 13 D CB 1.278 42.122 40.800 0.073 0.000 1.060 13 D HN -0.081 nan 8.370 nan 0.000 0.502 14 K N 1.225 121.680 120.400 0.092 0.000 2.487 14 K HA 0.111 4.433 4.320 0.003 0.000 0.192 14 K C 0.117 176.787 176.600 0.116 0.000 1.027 14 K CA 0.132 56.485 56.287 0.110 0.000 1.054 14 K CB -0.026 32.518 32.500 0.074 0.000 0.824 14 K HN 0.406 nan 8.250 nan 0.000 0.510 15 T N 1.106 115.703 114.554 0.071 0.000 2.800 15 T HA 0.144 4.496 4.350 0.003 0.000 0.283 15 T C 1.265 176.012 174.700 0.078 0.000 0.999 15 T CA 1.005 63.131 62.100 0.043 0.000 1.176 15 T CB 0.248 69.106 68.868 -0.017 0.000 0.973 15 T HN 0.559 nan 8.240 nan 0.000 0.519 16 G N 2.356 111.233 108.800 0.129 0.000 2.168 16 G HA2 -0.296 3.666 3.960 0.003 0.000 0.263 16 G HA3 -0.296 3.666 3.960 0.003 0.000 0.263 16 G C 0.792 175.977 174.900 0.475 0.000 0.977 16 G CA 0.478 45.725 45.100 0.246 0.000 0.659 16 G HN 0.692 nan 8.290 nan 0.000 0.533 17 L N 0.551 122.010 121.223 0.393 0.000 2.005 17 L HA 0.091 4.432 4.340 0.003 0.000 0.207 17 L C 2.923 179.881 176.870 0.148 0.000 1.072 17 L CA 2.652 57.703 54.840 0.351 0.000 0.744 17 L CB -0.616 41.581 42.059 0.231 0.000 0.895 17 L HN 0.221 nan 8.230 nan 0.000 0.433 18 V N -0.108 119.848 119.914 0.070 0.000 2.324 18 V HA -0.306 3.816 4.120 0.003 0.000 0.250 18 V C 2.644 178.752 176.094 0.024 0.000 1.060 18 V CA 1.946 64.244 62.300 -0.004 0.000 1.042 18 V CB -0.816 31.005 31.823 -0.005 0.000 0.650 18 V HN 0.564 nan 8.190 nan 0.000 0.450 19 E N 0.231 120.489 120.200 0.096 0.000 2.051 19 E HA -0.235 4.117 4.350 0.003 0.000 0.192 19 E C 1.926 178.602 176.600 0.125 0.000 0.991 19 E CA 1.572 58.035 56.400 0.105 0.000 0.799 19 E CB -0.524 29.260 29.700 0.141 0.000 0.748 19 E HN 0.479 nan 8.360 nan 0.000 0.449 20 F N 0.871 120.818 119.950 -0.006 0.000 2.095 20 F HA -0.108 4.423 4.527 0.006 0.000 0.298 20 F C 2.088 177.864 175.800 -0.040 0.000 1.104 20 F CA 1.802 59.739 58.000 -0.106 0.000 1.232 20 F CB -0.973 37.711 39.000 -0.527 0.000 0.987 20 F HN 0.112 nan 8.300 nan 0.000 0.475 21 A N 0.509 123.244 122.820 -0.143 0.000 1.902 21 A HA -0.193 4.129 4.320 0.003 0.000 0.217 21 A C 2.479 179.951 177.584 -0.187 0.000 1.181 21 A CA 1.633 53.539 52.037 -0.219 0.000 0.623 21 A CB -0.865 17.863 19.000 -0.453 0.000 0.818 21 A HN 0.440 nan 8.150 nan 0.000 0.443 22 R N -0.166 120.259 120.500 -0.126 0.000 2.080 22 R HA -0.167 4.174 4.340 0.003 0.000 0.236 22 R C 1.889 178.135 176.300 -0.089 0.000 1.137 22 R CA 1.782 57.829 56.100 -0.088 0.000 0.943 22 R CB -0.398 29.875 30.300 -0.046 0.000 0.846 22 R HN 0.574 nan 8.270 nan 0.000 0.431 23 N N 0.914 119.563 118.700 -0.086 0.000 2.069 23 N HA -0.197 4.545 4.740 0.003 0.000 0.191 23 N C 2.007 177.437 175.510 -0.134 0.000 1.031 23 N CA 1.385 54.389 53.050 -0.077 0.000 0.852 23 N CB -0.394 38.076 38.487 -0.028 0.000 1.018 23 N HN 0.261 nan 8.380 nan 0.000 0.423 24 L N 0.385 121.457 121.223 -0.252 0.000 1.989 24 L HA -0.184 4.158 4.340 0.003 0.000 0.211 24 L C 2.546 179.334 176.870 -0.136 0.000 1.071 24 L CA 1.392 56.082 54.840 -0.251 0.000 0.749 24 L CB -1.025 40.809 42.059 -0.374 0.000 0.890 24 L HN 0.186 nan 8.230 nan 0.000 0.431 25 T N -0.372 114.113 114.554 -0.115 0.000 2.737 25 T HA -0.218 4.134 4.350 0.003 0.000 0.269 25 T C 1.648 176.312 174.700 -0.061 0.000 1.040 25 T CA 1.446 63.501 62.100 -0.076 0.000 1.142 25 T CB -0.116 68.708 68.868 -0.074 0.000 0.861 25 T HN 0.464 nan 8.240 nan 0.000 0.456 26 A N -0.157 122.626 122.820 -0.061 0.000 2.248 26 A HA 0.210 4.532 4.320 0.003 0.000 0.210 26 A C 1.955 179.516 177.584 -0.038 0.000 1.174 26 A CA 0.744 52.755 52.037 -0.043 0.000 0.750 26 A CB -0.421 18.558 19.000 -0.035 0.000 0.780 26 A HN 0.588 nan 8.150 nan 0.000 0.478 27 L N -2.591 118.603 121.223 -0.049 0.000 2.590 27 L HA 0.309 4.651 4.340 0.003 0.000 0.227 27 L C 1.620 178.468 176.870 -0.035 0.000 1.099 27 L CA 0.731 55.547 54.840 -0.041 0.000 0.872 27 L CB 0.421 42.449 42.059 -0.051 0.000 1.088 27 L HN 0.499 nan 8.230 nan 0.000 0.479 28 G N -0.079 108.698 108.800 -0.038 0.000 2.205 28 G HA2 -0.170 3.792 3.960 0.003 0.000 0.180 28 G HA3 -0.170 3.792 3.960 0.003 0.000 0.180 28 G C 0.053 174.934 174.900 -0.032 0.000 1.004 28 G CA -0.589 44.492 45.100 -0.030 0.000 0.670 28 G HN 0.075 nan 8.290 nan 0.000 0.496 29 L N 1.365 122.562 121.223 -0.042 0.000 2.375 29 L HA 0.463 4.805 4.340 0.003 0.000 0.271 29 L C 0.183 177.036 176.870 -0.028 0.000 1.107 29 L CA -1.019 53.797 54.840 -0.040 0.000 0.806 29 L CB 0.727 42.750 42.059 -0.061 0.000 1.146 29 L HN 0.059 nan 8.230 nan 0.000 0.447 30 N N 2.697 121.388 118.700 -0.016 0.000 2.509 30 N HA 0.509 5.250 4.740 0.003 0.000 0.287 30 N C -0.835 174.688 175.510 0.021 0.000 1.121 30 N CA -0.474 52.573 53.050 -0.006 0.000 0.977 30 N CB 1.949 40.432 38.487 -0.006 0.000 1.167 30 N HN 0.358 nan 8.380 nan 0.000 0.476 31 L N 1.201 122.441 121.223 0.028 0.000 2.309 31 L HA 0.572 4.914 4.340 0.003 0.000 0.282 31 L C -0.360 176.550 176.870 0.067 0.000 1.036 31 L CA -0.948 53.946 54.840 0.090 0.000 0.806 31 L CB 1.540 43.603 42.059 0.007 0.000 1.220 31 L HN 0.051 nan 8.230 nan 0.000 0.429 32 V N 1.768 121.757 119.914 0.125 0.000 2.656 32 V HA 0.959 5.081 4.120 0.003 0.000 0.307 32 V C -0.138 176.028 176.094 0.120 0.000 1.051 32 V CA -0.441 61.902 62.300 0.071 0.000 0.893 32 V CB 1.542 33.381 31.823 0.026 0.000 0.999 32 V HN 0.979 nan 8.190 nan 0.000 0.426 33 A N 3.154 126.012 122.820 0.063 0.000 2.544 33 A HA 0.905 5.227 4.320 0.003 0.000 0.291 33 A C -0.804 176.797 177.584 0.029 0.000 1.055 33 A CA -0.420 51.660 52.037 0.071 0.000 0.651 33 A CB 1.619 20.670 19.000 0.085 0.000 1.296 33 A HN 0.705 nan 8.150 nan 0.000 0.431 34 S N -1.496 114.222 115.700 0.030 0.000 2.794 34 S HA 0.880 5.352 4.470 0.003 0.000 0.299 34 S C 0.663 175.274 174.600 0.018 0.000 1.179 34 S CA 0.645 58.855 58.200 0.017 0.000 0.838 34 S CB 1.171 64.382 63.200 0.018 0.000 1.206 34 S HN 2.766 nan 8.310 nan 0.000 0.523 35 G N 1.094 109.902 108.800 0.013 0.000 2.594 35 G HA2 -0.237 3.725 3.960 0.003 0.000 0.297 35 G HA3 -0.237 3.725 3.960 0.003 0.000 0.297 35 G C 1.051 175.953 174.900 0.004 0.000 1.273 35 G CA 0.566 45.672 45.100 0.010 0.000 0.974 35 G HN 1.440 nan 8.290 nan 0.000 0.552 36 G N -1.616 107.186 108.800 0.004 0.000 2.448 36 G HA2 0.076 4.037 3.960 0.003 0.000 0.219 36 G HA3 0.076 4.037 3.960 0.003 0.000 0.219 36 G C 1.824 176.725 174.900 0.001 0.000 1.127 36 G CA 2.332 47.432 45.100 0.000 0.000 0.766 36 G HN 0.983 nan 8.290 nan 0.000 0.552 37 T N 1.647 116.209 114.554 0.013 0.000 2.643 37 T HA -0.007 4.344 4.350 0.003 0.000 0.264 37 T C 2.869 177.549 174.700 -0.033 0.000 1.045 37 T CA 1.631 63.737 62.100 0.011 0.000 1.155 37 T CB -0.475 68.429 68.868 0.059 0.000 0.863 37 T HN 0.355 nan 8.240 nan 0.000 0.420 38 A N 1.594 124.400 122.820 -0.023 0.000 1.908 38 A HA -0.183 4.139 4.320 0.003 0.000 0.218 38 A C 2.217 179.773 177.584 -0.047 0.000 1.181 38 A CA 2.194 54.205 52.037 -0.043 0.000 0.627 38 A CB -0.630 18.357 19.000 -0.022 0.000 0.818 38 A HN 0.506 nan 8.150 nan 0.000 0.445 39 K N -0.377 120.006 120.400 -0.029 0.000 2.032 39 K HA -0.141 4.180 4.320 0.003 0.000 0.209 39 K C 2.199 178.778 176.600 -0.034 0.000 1.048 39 K CA 1.395 57.666 56.287 -0.027 0.000 0.927 39 K CB -0.392 32.098 32.500 -0.017 0.000 0.712 39 K HN 0.365 nan 8.250 nan 0.000 0.441 40 A N 1.492 124.292 122.820 -0.034 0.000 1.908 40 A HA -0.164 4.157 4.320 0.003 0.000 0.218 40 A C 2.166 179.713 177.584 -0.062 0.000 1.181 40 A CA 1.582 53.597 52.037 -0.036 0.000 0.627 40 A CB -0.682 18.303 19.000 -0.025 0.000 0.818 40 A HN 0.335 nan 8.150 nan 0.000 0.445 41 L N -1.284 119.880 121.223 -0.097 0.000 1.976 41 L HA -0.190 4.151 4.340 0.003 0.000 0.209 41 L C 2.845 179.659 176.870 -0.094 0.000 1.071 41 L CA 1.639 56.399 54.840 -0.134 0.000 0.746 41 L CB -0.647 41.288 42.059 -0.208 0.000 0.890 41 L HN 0.339 nan 8.230 nan 0.000 0.432 42 R N 0.061 120.517 120.500 -0.074 0.000 2.159 42 R HA -0.162 4.180 4.340 0.003 0.000 0.237 42 R C 1.670 177.944 176.300 -0.043 0.000 1.131 42 R CA 1.347 57.414 56.100 -0.054 0.000 0.982 42 R CB -0.347 29.927 30.300 -0.042 0.000 0.868 42 R HN 0.492 nan 8.270 nan 0.000 0.453 43 D N 0.065 120.441 120.400 -0.039 0.000 2.249 43 D HA -0.010 4.632 4.640 0.003 0.000 0.205 43 D C 1.335 177.617 176.300 -0.030 0.000 0.962 43 D CA 0.697 54.680 54.000 -0.029 0.000 0.860 43 D CB 0.210 40.996 40.800 -0.023 0.000 0.955 43 D HN 0.186 nan 8.370 nan 0.000 0.505 44 A N 0.147 122.943 122.820 -0.039 0.000 2.238 44 A HA 0.371 4.693 4.320 0.003 0.000 0.208 44 A C 1.609 179.169 177.584 -0.040 0.000 1.177 44 A CA 0.970 52.985 52.037 -0.037 0.000 0.804 44 A CB -0.147 18.826 19.000 -0.045 0.000 0.823 44 A HN 0.228 nan 8.150 nan 0.000 0.482 45 G N -1.312 107.463 108.800 -0.042 0.000 2.130 45 G HA2 -0.166 3.796 3.960 0.003 0.000 0.216 45 G HA3 -0.166 3.796 3.960 0.003 0.000 0.216 45 G C -0.097 174.774 174.900 -0.049 0.000 0.999 45 G CA 0.186 45.262 45.100 -0.039 0.000 0.686 45 G HN 0.406 nan 8.290 nan 0.000 0.515 46 L N 0.105 121.289 121.223 -0.065 0.000 2.334 46 L HA 0.809 5.151 4.340 0.003 0.000 0.270 46 L C 0.840 177.669 176.870 -0.068 0.000 1.018 46 L CA -0.753 54.041 54.840 -0.077 0.000 0.811 46 L CB 1.896 43.885 42.059 -0.116 0.000 1.271 46 L HN 0.270 nan 8.230 nan 0.000 0.443 47 A N 2.324 125.108 122.820 -0.061 0.000 2.269 47 A HA 0.628 4.950 4.320 0.003 0.000 0.302 47 A C -0.551 177.000 177.584 -0.055 0.000 1.266 47 A CA -0.322 51.686 52.037 -0.048 0.000 0.894 47 A CB 0.447 19.425 19.000 -0.037 0.000 1.147 47 A HN 0.388 nan 8.150 nan 0.000 0.537 48 V N 3.470 123.353 119.914 -0.050 0.000 2.656 48 V HA 0.495 4.617 4.120 0.003 0.000 0.307 48 V C 0.160 176.237 176.094 -0.027 0.000 1.051 48 V CA -0.776 61.496 62.300 -0.047 0.000 0.893 48 V CB 1.919 33.702 31.823 -0.068 0.000 0.999 48 V HN 0.945 nan 8.190 nan 0.000 0.426 49 R N 1.845 122.336 120.500 -0.016 0.000 2.338 49 R HA 0.378 4.720 4.340 0.003 0.000 0.317 49 R C -0.723 175.572 176.300 -0.008 0.000 0.968 49 R CA -0.595 55.499 56.100 -0.011 0.000 0.849 49 R CB 1.352 31.648 30.300 -0.008 0.000 1.128 49 R HN 0.897 nan 8.270 nan 0.000 0.448 50 D N 1.612 122.006 120.400 -0.009 0.000 2.368 50 D HA -0.042 4.599 4.640 0.003 0.000 0.240 50 D C 1.213 177.505 176.300 -0.014 0.000 1.169 50 D CA -0.103 53.893 54.000 -0.007 0.000 0.906 50 D CB 1.284 42.081 40.800 -0.005 0.000 1.187 50 D HN 0.209 nan 8.370 nan 0.000 0.435 51 V N 1.787 121.692 119.914 -0.015 0.000 2.515 51 V HA -0.178 3.943 4.120 0.003 0.000 0.250 51 V C 2.285 178.349 176.094 -0.050 0.000 1.058 51 V CA 1.770 64.046 62.300 -0.039 0.000 1.064 51 V CB -0.772 31.029 31.823 -0.037 0.000 0.675 51 V HN 0.684 nan 8.190 nan 0.000 0.461 52 S N 0.148 115.836 115.700 -0.019 0.000 2.469 52 S HA -0.201 4.271 4.470 0.003 0.000 0.238 52 S C 1.681 176.272 174.600 -0.015 0.000 0.998 52 S CA 1.611 59.808 58.200 -0.004 0.000 0.957 52 S CB -0.281 62.929 63.200 0.016 0.000 0.764 52 S HN 0.787 nan 8.310 nan 0.000 0.514 53 E N -0.414 119.773 120.200 -0.021 0.000 2.474 53 E HA 0.175 4.527 4.350 0.003 0.000 0.194 53 E C 1.340 177.928 176.600 -0.020 0.000 1.041 53 E CA 0.033 56.425 56.400 -0.013 0.000 0.874 53 E CB 0.168 29.863 29.700 -0.008 0.000 0.914 53 E HN 0.352 nan 8.360 nan 0.000 0.498 54 L N 0.099 121.290 121.223 -0.053 0.000 2.425 54 L HA 0.043 4.384 4.340 0.003 0.000 0.215 54 L C 2.219 179.009 176.870 -0.133 0.000 1.065 54 L CA 1.343 56.141 54.840 -0.070 0.000 0.842 54 L CB 0.214 42.216 42.059 -0.096 0.000 1.033 54 L HN 0.134 nan 8.230 nan 0.000 0.474 55 T N -4.528 109.889 114.554 -0.228 0.000 3.039 55 T HA 0.227 4.579 4.350 0.003 0.000 0.250 55 T C 1.442 176.027 174.700 -0.191 0.000 1.052 55 T CA 0.448 62.247 62.100 -0.502 0.000 1.125 55 T CB -0.180 68.189 68.868 -0.830 0.000 0.908 55 T HN 0.399 nan 8.240 nan 0.000 0.473 56 G N 1.416 110.193 108.800 -0.037 0.000 2.246 56 G HA2 -0.206 3.756 3.960 0.003 0.000 0.273 56 G HA3 -0.206 3.756 3.960 0.003 0.000 0.273 56 G C -0.278 174.710 174.900 0.147 0.000 1.055 56 G CA 0.130 45.265 45.100 0.059 0.000 0.851 56 G HN 0.654 nan 8.290 nan 0.000 0.500 57 F N 0.791 120.715 119.950 -0.044 0.000 2.480 57 F HA 0.679 5.209 4.527 0.004 0.000 0.329 57 F C -1.709 174.102 175.800 0.017 0.000 1.091 57 F CA -2.670 55.343 58.000 0.021 0.000 0.972 57 F CB 1.474 40.508 39.000 0.056 0.000 1.150 57 F HN -0.009 nan 8.300 nan 0.000 0.467 58 P HA 0.059 nan 4.420 nan 0.000 0.268 58 P C -1.257 175.899 177.300 -0.240 0.000 1.208 58 P CA -0.112 62.744 63.100 -0.407 0.000 0.777 58 P CB 0.466 31.865 31.700 -0.501 0.000 0.875 59 E N 1.934 122.077 120.200 -0.096 0.000 2.316 59 E HA 0.344 4.695 4.350 0.003 0.000 0.275 59 E C -0.602 175.996 176.600 -0.004 0.000 1.029 59 E CA 0.424 56.820 56.400 -0.006 0.000 0.871 59 E CB 0.134 29.834 29.700 -0.001 0.000 1.022 59 E HN 0.281 nan 8.360 nan 0.000 0.418 60 M N 2.661 122.299 119.600 0.064 0.000 2.716 60 M HA 0.242 4.724 4.480 0.003 0.000 0.278 60 M C -0.749 175.598 176.300 0.080 0.000 1.281 60 M CA -1.284 54.059 55.300 0.072 0.000 0.814 60 M CB 1.199 33.880 32.600 0.134 0.000 1.719 60 M HN 0.264 nan 8.290 nan 0.000 0.457 61 L N 2.070 123.335 121.223 0.069 0.000 4.290 61 L HA -0.219 4.122 4.340 0.003 0.000 0.486 61 L C 1.101 178.005 176.870 0.056 0.000 1.070 61 L CA 1.683 56.560 54.840 0.062 0.000 0.688 61 L CB -2.735 39.367 42.059 0.072 0.000 1.627 61 L HN 1.091 nan 8.230 nan 0.000 0.782 62 G N -0.977 107.850 108.800 0.046 0.000 2.296 62 G HA2 0.052 4.013 3.960 0.003 0.000 0.282 62 G HA3 0.052 4.013 3.960 0.003 0.000 0.282 62 G C 1.244 176.171 174.900 0.045 0.000 1.014 62 G CA 0.832 45.956 45.100 0.039 0.000 0.812 62 G HN 2.054 nan 8.290 nan 0.000 0.508 63 G N -1.510 107.325 108.800 0.059 0.000 2.198 63 G HA2 -0.284 3.678 3.960 0.003 0.000 0.257 63 G HA3 -0.284 3.678 3.960 0.003 0.000 0.257 63 G C 0.758 175.697 174.900 0.065 0.000 1.042 63 G CA 1.026 46.165 45.100 0.065 0.000 0.791 63 G HN 0.967 nan 8.290 nan 0.000 0.502 64 R N -0.680 119.862 120.500 0.069 0.000 2.310 64 R HA 0.355 4.697 4.340 0.003 0.000 0.202 64 R C 1.944 178.283 176.300 0.064 0.000 0.933 64 R CA 1.069 57.207 56.100 0.063 0.000 1.054 64 R CB 0.365 30.702 30.300 0.062 0.000 0.985 64 R HN 0.967 nan 8.270 nan 0.000 0.489 65 V N -2.954 117.006 119.914 0.077 0.000 3.355 65 V HA 0.114 4.235 4.120 0.003 0.000 0.330 65 V C 1.152 177.286 176.094 0.067 0.000 1.479 65 V CA -0.497 61.843 62.300 0.065 0.000 1.150 65 V CB 0.423 32.284 31.823 0.063 0.000 1.044 65 V HN 0.125 nan 8.190 nan 0.000 0.501 66 K N 1.663 122.113 120.400 0.084 0.000 2.519 66 K HA -0.103 4.219 4.320 0.003 0.000 0.196 66 K C 1.391 178.011 176.600 0.034 0.000 1.041 66 K CA 1.967 58.305 56.287 0.085 0.000 0.954 66 K CB -0.320 32.228 32.500 0.080 0.000 0.774 66 K HN 0.702 nan 8.250 nan 0.000 0.480 67 T N -1.961 112.615 114.554 0.036 0.000 2.985 67 T HA 0.216 4.568 4.350 0.003 0.000 0.254 67 T C 0.955 175.715 174.700 0.100 0.000 1.021 67 T CA -0.490 61.625 62.100 0.024 0.000 0.957 67 T CB -0.050 68.826 68.868 0.013 0.000 1.047 67 T HN 0.124 nan 8.240 nan 0.000 0.511 68 L N 3.144 124.421 121.223 0.091 0.000 2.511 68 L HA 0.339 4.681 4.340 0.003 0.000 0.239 68 L C 0.295 177.190 176.870 0.041 0.000 1.400 68 L CA -0.179 54.714 54.840 0.088 0.000 1.226 68 L CB -0.720 41.342 42.059 0.004 0.000 1.475 68 L HN 0.415 nan 8.230 nan 0.000 0.428 69 H N 0.224 119.281 119.070 -0.022 0.000 2.851 69 H HA 0.286 4.844 4.556 0.002 0.000 0.372 69 H C -2.276 172.991 175.328 -0.101 0.000 1.158 69 H CA -1.814 54.154 56.048 -0.134 0.000 1.159 69 H CB 2.861 32.488 29.762 -0.225 0.000 1.757 69 H HN -0.112 nan 8.280 nan 0.000 0.546 70 P HA -0.137 nan 4.420 nan 0.000 0.215 70 P C 1.222 178.321 177.300 -0.335 0.000 1.157 70 P CA 2.448 65.478 63.100 -0.117 0.000 0.874 70 P CB -0.037 31.609 31.700 -0.090 0.000 0.790 71 A N -0.848 121.659 122.820 -0.523 0.000 1.997 71 A HA -0.221 4.100 4.320 0.003 0.000 0.221 71 A C 2.278 179.529 177.584 -0.554 0.000 1.172 71 A CA 2.268 53.593 52.037 -1.186 0.000 0.645 71 A CB -1.713 16.815 19.000 -0.786 0.000 0.813 71 A HN 0.099 nan 8.150 nan 0.000 0.454 72 V N -1.333 118.383 119.914 -0.329 0.000 2.374 72 V HA -0.107 4.014 4.120 0.003 0.000 0.241 72 V C 2.287 178.138 176.094 -0.403 0.000 1.034 72 V CA 1.584 63.675 62.300 -0.349 0.000 1.037 72 V CB -0.935 30.662 31.823 -0.377 0.000 0.682 72 V HN 0.659 nan 8.190 nan 0.000 0.463 73 H N 0.226 119.236 119.070 -0.100 0.000 2.462 73 H HA 0.113 4.669 4.556 0.001 0.000 0.292 73 H C 2.300 177.599 175.328 -0.048 0.000 1.049 73 H CA 1.388 57.396 56.048 -0.065 0.000 1.334 73 H CB -0.075 29.656 29.762 -0.052 0.000 1.404 73 H HN 0.449 nan 8.280 nan 0.000 0.544 74 A N 0.785 123.607 122.820 0.004 0.000 1.929 74 A HA -0.028 4.293 4.320 0.003 0.000 0.216 74 A C 2.793 180.392 177.584 0.026 0.000 1.176 74 A CA 1.266 53.335 52.037 0.053 0.000 0.628 74 A CB -0.931 18.155 19.000 0.144 0.000 0.816 74 A HN 0.427 nan 8.150 nan 0.000 0.444 75 G N -0.144 108.628 108.800 -0.047 0.000 2.432 75 G HA2 -0.140 3.822 3.960 0.003 0.000 0.219 75 G HA3 -0.140 3.822 3.960 0.003 0.000 0.219 75 G C 1.452 176.330 174.900 -0.037 0.000 1.135 75 G CA 1.184 46.262 45.100 -0.036 0.000 0.767 75 G HN 0.488 nan 8.290 nan 0.000 0.550 76 I N -0.436 120.101 120.570 -0.056 0.000 2.585 76 I HA 0.131 4.303 4.170 0.003 0.000 0.254 76 I C 2.192 178.314 176.117 0.009 0.000 1.129 76 I CA 0.421 61.699 61.300 -0.037 0.000 1.455 76 I CB 0.105 38.069 38.000 -0.061 0.000 1.111 76 I HN 0.064 nan 8.210 nan 0.000 0.433 77 L N 0.735 121.979 121.223 0.035 0.000 2.567 77 L HA 0.251 4.593 4.340 0.003 0.000 0.225 77 L C 1.237 178.128 176.870 0.035 0.000 1.119 77 L CA -0.381 54.487 54.840 0.046 0.000 0.871 77 L CB -0.136 41.964 42.059 0.068 0.000 1.036 77 L HN 0.072 nan 8.230 nan 0.000 0.459 78 A N 1.071 123.912 122.820 0.035 0.000 2.524 78 A HA 0.262 4.584 4.320 0.003 0.000 0.250 78 A C 0.290 177.885 177.584 0.019 0.000 1.078 78 A CA 0.094 52.152 52.037 0.035 0.000 0.761 78 A CB 0.015 19.042 19.000 0.046 0.000 1.012 78 A HN 0.289 nan 8.150 nan 0.000 0.500 79 R N 1.327 121.836 120.500 0.015 0.000 2.549 79 R HA 0.224 4.566 4.340 0.003 0.000 0.267 79 R C 0.216 176.518 176.300 0.005 0.000 1.045 79 R CA -0.509 55.593 56.100 0.004 0.000 1.115 79 R CB 0.797 31.096 30.300 -0.000 0.000 1.121 79 R HN 0.884 nan 8.270 nan 0.000 0.543 80 N N 2.519 121.219 118.700 -0.001 0.000 2.807 80 N HA 0.156 4.897 4.740 0.003 0.000 0.259 80 N C -0.913 174.598 175.510 0.000 0.000 1.149 80 N CA -0.125 52.925 53.050 0.000 0.000 1.042 80 N CB 0.020 38.506 38.487 -0.003 0.000 1.367 80 N HN 0.343 nan 8.380 nan 0.000 0.516 81 I N -0.728 119.844 120.570 0.003 0.000 2.913 81 I HA 0.452 4.624 4.170 0.003 0.000 0.302 81 I C -2.502 173.617 176.117 0.004 0.000 1.246 81 I CA -2.428 58.873 61.300 0.002 0.000 1.010 81 I CB 2.083 40.084 38.000 0.002 0.000 1.259 81 I HN -0.004 nan 8.210 nan 0.000 0.434 82 P HA -0.253 nan 4.420 nan 0.000 0.217 82 P C 1.200 178.502 177.300 0.003 0.000 1.162 82 P CA 2.215 65.316 63.100 0.002 0.000 0.901 82 P CB 0.017 31.717 31.700 0.001 0.000 0.793 83 E N -0.196 120.006 120.200 0.004 0.000 2.038 83 E HA -0.233 4.119 4.350 0.003 0.000 0.195 83 E C 1.649 178.255 176.600 0.009 0.000 1.000 83 E CA 1.657 58.060 56.400 0.005 0.000 0.803 83 E CB -1.635 28.068 29.700 0.005 0.000 0.750 83 E HN 0.264 nan 8.360 nan 0.000 0.448 84 D N 1.201 121.609 120.400 0.013 0.000 2.117 84 D HA -0.109 4.533 4.640 0.003 0.000 0.197 84 D C 1.720 178.033 176.300 0.022 0.000 0.987 84 D CA 0.938 54.951 54.000 0.021 0.000 0.829 84 D CB -0.400 40.413 40.800 0.023 0.000 0.961 84 D HN 0.208 nan 8.370 nan 0.000 0.460 85 N N 0.746 119.455 118.700 0.014 0.000 2.223 85 N HA -0.121 4.621 4.740 0.003 0.000 0.185 85 N C 1.742 177.255 175.510 0.005 0.000 1.016 85 N CA 1.085 54.142 53.050 0.012 0.000 0.863 85 N CB -0.200 38.291 38.487 0.007 0.000 0.983 85 N HN 0.137 nan 8.380 nan 0.000 0.429 86 A N 1.780 124.600 122.820 0.001 0.000 1.877 86 A HA -0.152 4.170 4.320 0.003 0.000 0.216 86 A C 1.886 179.460 177.584 -0.017 0.000 1.186 86 A CA 1.470 53.502 52.037 -0.009 0.000 0.620 86 A CB -0.353 18.642 19.000 -0.007 0.000 0.822 86 A HN 0.088 nan 8.150 nan 0.000 0.443 87 D N -0.204 120.192 120.400 -0.007 0.000 2.092 87 D HA -0.153 4.489 4.640 0.003 0.000 0.193 87 D C 2.031 178.311 176.300 -0.033 0.000 0.994 87 D CA 1.426 55.418 54.000 -0.013 0.000 0.828 87 D CB -0.358 40.455 40.800 0.021 0.000 0.963 87 D HN 0.268 nan 8.370 nan 0.000 0.450 88 M N 0.631 120.237 119.600 0.010 0.000 2.202 88 M HA -0.104 4.377 4.480 0.003 0.000 0.262 88 M C 2.252 178.526 176.300 -0.043 0.000 1.063 88 M CA 0.803 56.118 55.300 0.026 0.000 1.097 88 M CB -1.132 31.510 32.600 0.070 0.000 1.382 88 M HN -0.037 nan 8.290 nan 0.000 0.413 89 A N -0.265 122.531 122.820 -0.041 0.000 1.897 89 A HA -0.128 4.194 4.320 0.003 0.000 0.215 89 A C 2.413 179.944 177.584 -0.088 0.000 1.181 89 A CA 1.369 53.376 52.037 -0.050 0.000 0.620 89 A CB -0.597 18.386 19.000 -0.030 0.000 0.821 89 A HN 0.427 nan 8.150 nan 0.000 0.443 90 R N -0.419 120.021 120.500 -0.099 0.000 2.081 90 R HA -0.013 4.329 4.340 0.003 0.000 0.235 90 R C 1.512 177.691 176.300 -0.203 0.000 1.131 90 R CA 1.452 57.482 56.100 -0.116 0.000 0.960 90 R CB -0.282 29.964 30.300 -0.090 0.000 0.856 90 R HN 0.533 nan 8.270 nan 0.000 0.436 91 L N -0.090 120.926 121.223 -0.345 0.000 2.558 91 L HA 0.065 4.407 4.340 0.003 0.000 0.225 91 L C 0.294 176.681 176.870 -0.804 0.000 1.128 91 L CA 0.147 54.566 54.840 -0.701 0.000 0.868 91 L CB 0.016 41.368 42.059 -1.179 0.000 1.006 91 L HN 0.218 nan 8.230 nan 0.000 0.454 92 D N -0.465 119.697 120.400 -0.397 0.000 2.981 92 D HA -0.232 4.410 4.640 0.003 0.000 0.223 92 D C -0.580 175.719 176.300 -0.002 0.000 1.151 92 D CA 0.531 54.428 54.000 -0.172 0.000 0.827 92 D CB -1.072 39.663 40.800 -0.108 0.000 1.101 92 D HN 0.023 nan 8.370 nan 0.000 0.426 93 F N 0.823 120.784 119.950 0.018 0.000 2.411 93 F HA 0.466 4.995 4.527 0.003 0.000 0.350 93 F C 1.200 177.003 175.800 0.005 0.000 1.114 93 F CA -1.278 56.732 58.000 0.015 0.000 1.135 93 F CB 0.804 39.819 39.000 0.025 0.000 1.120 93 F HN -0.149 nan 8.300 nan 0.000 0.495 94 N N 2.059 120.876 118.700 0.195 0.000 2.524 94 N HA 0.387 5.129 4.740 0.003 0.000 0.283 94 N C -0.823 174.721 175.510 0.058 0.000 1.142 94 N CA -0.407 52.699 53.050 0.094 0.000 0.984 94 N CB 0.797 39.318 38.487 0.056 0.000 1.155 94 N HN 0.487 nan 8.380 nan 0.000 0.467 95 L N 2.770 124.015 121.223 0.036 0.000 2.416 95 L HA 0.276 4.618 4.340 0.003 0.000 0.272 95 L C 0.095 176.957 176.870 -0.013 0.000 1.161 95 L CA -0.164 54.684 54.840 0.013 0.000 0.845 95 L CB 0.373 42.439 42.059 0.011 0.000 1.119 95 L HN 0.438 nan 8.230 nan 0.000 0.464 96 I N 3.119 123.670 120.570 -0.031 0.000 2.336 96 I HA 0.220 4.392 4.170 0.003 0.000 0.292 96 I C 0.800 176.888 176.117 -0.049 0.000 0.991 96 I CA -0.269 60.999 61.300 -0.053 0.000 1.227 96 I CB 1.835 39.786 38.000 -0.081 0.000 1.366 96 I HN 0.632 nan 8.210 nan 0.000 0.466 97 R N 4.370 124.838 120.500 -0.054 0.000 2.167 97 R HA 0.293 4.635 4.340 0.003 0.000 0.201 97 R C -0.413 175.852 176.300 -0.058 0.000 1.024 97 R CA 0.594 56.666 56.100 -0.046 0.000 1.053 97 R CB 0.639 30.916 30.300 -0.039 0.000 0.987 97 R HN 0.480 nan 8.270 nan 0.000 0.493 98 V N 1.277 121.134 119.914 -0.096 0.000 2.588 98 V HA 0.425 4.546 4.120 0.003 0.000 0.304 98 V C -1.116 174.864 176.094 -0.189 0.000 1.042 98 V CA -0.878 61.352 62.300 -0.117 0.000 0.877 98 V CB 2.055 33.797 31.823 -0.134 0.000 0.996 98 V HN -0.156 nan 8.190 nan 0.000 0.425 99 V N 4.167 123.987 119.914 -0.156 0.000 2.407 99 V HA 0.735 4.857 4.120 0.003 0.000 0.291 99 V C 0.245 176.233 176.094 -0.176 0.000 1.018 99 V CA -0.492 61.697 62.300 -0.185 0.000 0.842 99 V CB 1.685 33.432 31.823 -0.126 0.000 0.996 99 V HN 0.966 nan 8.190 nan 0.000 0.426 100 A N 4.299 126.962 122.820 -0.262 0.000 2.258 100 A HA 0.740 5.062 4.320 0.003 0.000 0.316 100 A C -0.486 177.074 177.584 -0.041 0.000 1.279 100 A CA -0.347 51.611 52.037 -0.132 0.000 0.876 100 A CB 0.907 19.797 19.000 -0.182 0.000 1.170 100 A HN 0.904 nan 8.150 nan 0.000 0.520 101 C N 2.532 121.815 119.300 -0.029 0.000 2.888 101 C HA 0.735 5.197 4.460 0.003 0.000 0.308 101 C C -0.741 174.223 174.990 -0.043 0.000 1.213 101 C CA -0.655 58.351 59.018 -0.020 0.000 1.461 101 C CB 1.098 28.807 27.740 -0.052 0.000 1.934 101 C HN 0.985 nan 8.230 nan 0.000 0.474 102 N N 3.223 121.931 118.700 0.012 0.000 2.260 102 N HA 0.677 5.419 4.740 0.003 0.000 0.293 102 N C -1.633 173.931 175.510 0.090 0.000 1.058 102 N CA -0.583 52.497 53.050 0.050 0.000 0.824 102 N CB 1.650 40.184 38.487 0.079 0.000 1.551 102 N HN 0.523 nan 8.380 nan 0.000 0.475 103 L N 2.071 123.384 121.223 0.151 0.000 2.325 103 L HA 0.424 4.766 4.340 0.003 0.000 0.278 103 L C -0.710 176.260 176.870 0.167 0.000 1.023 103 L CA -0.919 53.943 54.840 0.037 0.000 0.811 103 L CB 0.991 42.869 42.059 -0.301 0.000 1.249 103 L HN 0.514 nan 8.230 nan 0.000 0.431 104 Y N 3.947 124.296 120.300 0.082 0.000 2.402 104 Y HA 0.240 4.792 4.550 0.003 0.000 0.333 104 Y C -2.017 174.000 175.900 0.196 0.000 1.076 104 Y CA -2.276 55.894 58.100 0.117 0.000 1.299 104 Y CB 0.656 39.181 38.460 0.109 0.000 1.197 104 Y HN 0.334 nan 8.280 nan 0.000 0.517 105 P HA -0.103 nan 4.420 nan 0.000 0.260 105 P C 0.283 177.548 177.300 -0.059 0.000 1.185 105 P CA 0.499 63.535 63.100 -0.106 0.000 0.763 105 P CB 0.145 31.708 31.700 -0.230 0.000 0.776 106 F N 4.751 124.657 119.950 -0.073 0.000 2.202 106 F HA -0.206 4.322 4.527 0.003 0.000 0.301 106 F C 1.883 177.565 175.800 -0.197 0.000 1.082 106 F CA 1.337 59.237 58.000 -0.167 0.000 1.313 106 F CB -0.489 38.284 39.000 -0.379 0.000 1.024 106 F HN 0.041 nan 8.300 nan 0.000 0.495 107 V N 0.375 120.189 119.914 -0.167 0.000 2.282 107 V HA -0.380 3.741 4.120 0.003 0.000 0.249 107 V C 2.396 178.335 176.094 -0.257 0.000 1.057 107 V CA 2.424 64.598 62.300 -0.209 0.000 1.032 107 V CB -0.697 31.056 31.823 -0.117 0.000 0.645 107 V HN 0.274 nan 8.190 nan 0.000 0.447 108 K N -0.681 119.557 120.400 -0.271 0.000 2.155 108 K HA -0.101 4.221 4.320 0.003 0.000 0.203 108 K C 2.245 178.754 176.600 -0.152 0.000 1.052 108 K CA 1.571 57.716 56.287 -0.236 0.000 0.948 108 K CB -0.357 31.909 32.500 -0.389 0.000 0.728 108 K HN 0.451 nan 8.250 nan 0.000 0.448 109 T N 1.061 115.501 114.554 -0.190 0.000 2.746 109 T HA -0.120 4.231 4.350 0.003 0.000 0.267 109 T C 2.022 176.541 174.700 -0.303 0.000 1.039 109 T CA 1.664 63.694 62.100 -0.116 0.000 1.142 109 T CB -0.173 68.625 68.868 -0.117 0.000 0.866 109 T HN 0.199 nan 8.240 nan 0.000 0.444 110 V N 0.541 120.120 119.914 -0.559 0.000 2.453 110 V HA 0.182 4.304 4.120 0.003 0.000 0.247 110 V C 2.551 178.521 176.094 -0.207 0.000 1.048 110 V CA 1.284 63.308 62.300 -0.459 0.000 1.049 110 V CB -1.399 30.068 31.823 -0.594 0.000 0.672 110 V HN 0.384 nan 8.190 nan 0.000 0.457 111 A N 0.355 123.070 122.820 -0.177 0.000 2.216 111 A HA 0.043 4.364 4.320 0.003 0.000 0.214 111 A C 1.656 179.207 177.584 -0.055 0.000 1.160 111 A CA 1.095 53.077 52.037 -0.093 0.000 0.725 111 A CB -0.747 18.202 19.000 -0.085 0.000 0.784 111 A HN 0.564 nan 8.150 nan 0.000 0.472 112 S N 1.602 117.271 115.700 -0.053 0.000 2.537 112 S HA 0.289 4.761 4.470 0.003 0.000 0.286 112 S C -2.318 172.274 174.600 -0.015 0.000 1.299 112 S CA -1.223 56.969 58.200 -0.014 0.000 1.067 112 S CB 0.306 63.508 63.200 0.002 0.000 0.864 112 S HN 0.356 nan 8.310 nan 0.000 0.494 113 P HA 0.119 nan 4.420 nan 0.000 0.263 113 P C 0.654 177.954 177.300 -0.000 0.000 1.195 113 P CA 0.635 63.733 63.100 -0.002 0.000 0.762 113 P CB 0.079 31.780 31.700 0.002 0.000 0.799 114 G N 2.159 110.959 108.800 -0.000 0.000 2.179 114 G HA2 -0.202 3.760 3.960 0.003 0.000 0.257 114 G HA3 -0.202 3.760 3.960 0.003 0.000 0.257 114 G C 0.068 174.971 174.900 0.006 0.000 1.010 114 G CA 0.128 45.230 45.100 0.003 0.000 0.736 114 G HN 0.767 nan 8.290 nan 0.000 0.513 115 V N -0.968 118.948 119.914 0.003 0.000 2.567 115 V HA 0.904 5.025 4.120 0.003 0.000 0.289 115 V C 0.638 176.744 176.094 0.020 0.000 1.049 115 V CA 0.145 62.450 62.300 0.008 0.000 0.969 115 V CB 1.444 33.263 31.823 -0.007 0.000 0.995 115 V HN 1.092 nan 8.190 nan 0.000 0.471 116 T N 1.483 116.057 114.554 0.034 0.000 2.918 116 T HA 0.445 4.796 4.350 0.003 0.000 0.283 116 T C 1.120 175.871 174.700 0.085 0.000 1.001 116 T CA -0.027 62.101 62.100 0.048 0.000 1.041 116 T CB 1.484 70.377 68.868 0.043 0.000 1.028 116 T HN 0.654 nan 8.240 nan 0.000 0.511 117 V N 1.146 121.117 119.914 0.095 0.000 2.324 117 V HA -0.188 3.933 4.120 0.003 0.000 0.250 117 V C 2.780 178.979 176.094 0.176 0.000 1.060 117 V CA 2.423 64.817 62.300 0.157 0.000 1.042 117 V CB -1.121 30.699 31.823 -0.004 0.000 0.650 117 V HN 1.070 nan 8.190 nan 0.000 0.450 118 E N 0.084 120.359 120.200 0.126 0.000 2.051 118 E HA -0.250 4.101 4.350 0.003 0.000 0.192 118 E C 2.239 178.913 176.600 0.123 0.000 0.991 118 E CA 1.573 58.048 56.400 0.125 0.000 0.799 118 E CB -0.098 29.654 29.700 0.087 0.000 0.748 118 E HN 0.716 nan 8.360 nan 0.000 0.449 119 E N -0.139 120.119 120.200 0.096 0.000 2.153 119 E HA -0.188 4.164 4.350 0.003 0.000 0.194 119 E C 1.943 178.605 176.600 0.103 0.000 0.988 119 E CA 0.806 57.256 56.400 0.083 0.000 0.811 119 E CB -0.080 29.653 29.700 0.054 0.000 0.746 119 E HN 0.331 nan 8.360 nan 0.000 0.466 120 A N 0.825 123.713 122.820 0.113 0.000 1.897 120 A HA -0.094 4.228 4.320 0.003 0.000 0.215 120 A C 2.447 180.204 177.584 0.288 0.000 1.181 120 A CA 0.839 52.940 52.037 0.107 0.000 0.620 120 A CB -0.403 18.566 19.000 -0.052 0.000 0.821 120 A HN 0.110 nan 8.150 nan 0.000 0.443 121 V N 0.427 120.532 119.914 0.318 0.000 2.626 121 V HA -0.208 3.914 4.120 0.003 0.000 0.252 121 V C 2.096 178.340 176.094 0.250 0.000 1.067 121 V CA 1.918 64.435 62.300 0.361 0.000 1.081 121 V CB -0.821 31.223 31.823 0.369 0.000 0.686 121 V HN 0.604 nan 8.190 nan 0.000 0.468 122 E N -0.217 120.100 120.200 0.194 0.000 2.478 122 E HA -0.159 4.193 4.350 0.003 0.000 0.198 122 E C 1.880 178.569 176.600 0.149 0.000 1.046 122 E CA 0.512 57.000 56.400 0.147 0.000 0.870 122 E CB 0.005 29.772 29.700 0.112 0.000 0.818 122 E HN 0.692 nan 8.360 nan 0.000 0.527 123 Q N -0.010 119.907 119.800 0.194 0.000 2.282 123 Q HA 0.160 4.502 4.340 0.003 0.000 0.206 123 Q C 0.299 176.452 176.000 0.256 0.000 0.878 123 Q CA -0.181 55.747 55.803 0.208 0.000 0.944 123 Q CB 0.625 29.491 28.738 0.213 0.000 1.100 123 Q HN 0.241 nan 8.270 nan 0.000 0.509 124 I N 2.432 123.131 120.570 0.216 0.000 2.741 124 I HA -0.101 4.071 4.170 0.003 0.000 0.288 124 I C 0.425 176.641 176.117 0.166 0.000 1.192 124 I CA 0.257 61.627 61.300 0.117 0.000 1.426 124 I CB 0.261 38.245 38.000 -0.026 0.000 1.367 124 I HN 0.001 nan 8.210 nan 0.000 0.563 125 D N 7.213 127.762 120.400 0.248 0.000 2.317 125 D HA 0.104 4.746 4.640 0.003 0.000 0.252 125 D C 0.637 176.985 176.300 0.081 0.000 1.174 125 D CA -0.154 53.925 54.000 0.132 0.000 0.866 125 D CB 1.192 42.022 40.800 0.050 0.000 1.127 125 D HN 0.285 nan 8.370 nan 0.000 0.467 126 I N 3.155 123.758 120.570 0.056 0.000 2.681 126 I HA 0.029 4.201 4.170 0.003 0.000 0.247 126 I C 2.426 178.556 176.117 0.020 0.000 1.091 126 I CA 0.501 61.821 61.300 0.034 0.000 1.442 126 I CB -1.509 36.511 38.000 0.033 0.000 1.219 126 I HN 0.508 nan 8.210 nan 0.000 0.451 127 G N 1.152 109.971 108.800 0.032 0.000 2.476 127 G HA2 -0.226 3.736 3.960 0.003 0.000 0.218 127 G HA3 -0.226 3.736 3.960 0.003 0.000 0.218 127 G C 1.694 176.616 174.900 0.035 0.000 1.164 127 G CA 1.117 46.244 45.100 0.044 0.000 0.768 127 G HN 0.483 nan 8.290 nan 0.000 0.560 128 G N 0.294 109.098 108.800 0.008 0.000 2.421 128 G HA2 -0.143 3.819 3.960 0.003 0.000 0.216 128 G HA3 -0.143 3.819 3.960 0.003 0.000 0.216 128 G C 1.796 176.671 174.900 -0.043 0.000 1.171 128 G CA 1.232 46.321 45.100 -0.018 0.000 0.775 128 G HN 0.330 nan 8.290 nan 0.000 0.543 129 V N 1.210 121.080 119.914 -0.074 0.000 2.392 129 V HA -0.207 3.915 4.120 0.003 0.000 0.249 129 V C 3.152 179.229 176.094 -0.028 0.000 1.059 129 V CA 2.354 64.607 62.300 -0.077 0.000 1.051 129 V CB -0.945 30.840 31.823 -0.064 0.000 0.658 129 V HN 0.408 nan 8.190 nan 0.000 0.455 130 T N 0.194 114.747 114.554 -0.002 0.000 2.777 130 T HA -0.102 4.250 4.350 0.003 0.000 0.266 130 T C 1.909 176.665 174.700 0.093 0.000 1.040 130 T CA 1.366 63.473 62.100 0.011 0.000 1.141 130 T CB -0.276 68.572 68.868 -0.033 0.000 0.868 130 T HN 0.295 nan 8.240 nan 0.000 0.444 131 L N 0.331 121.623 121.223 0.116 0.000 2.013 131 L HA -0.118 4.223 4.340 0.003 0.000 0.212 131 L C 2.525 179.388 176.870 -0.011 0.000 1.073 131 L CA 1.336 56.222 54.840 0.077 0.000 0.753 131 L CB -0.583 41.477 42.059 0.002 0.000 0.890 131 L HN 0.255 nan 8.230 nan 0.000 0.432 132 L N -0.834 120.354 121.223 -0.058 0.000 2.017 132 L HA -0.218 4.124 4.340 0.003 0.000 0.208 132 L C 2.868 179.603 176.870 -0.224 0.000 1.073 132 L CA 1.381 56.141 54.840 -0.134 0.000 0.745 132 L CB -0.406 41.576 42.059 -0.129 0.000 0.894 132 L HN 0.200 nan 8.230 nan 0.000 0.432 133 R N -0.418 119.978 120.500 -0.174 0.000 2.075 133 R HA -0.092 4.250 4.340 0.003 0.000 0.232 133 R C 2.418 178.664 176.300 -0.090 0.000 1.126 133 R CA 1.158 57.131 56.100 -0.212 0.000 0.963 133 R CB -0.562 29.753 30.300 0.024 0.000 0.858 133 R HN 0.342 nan 8.270 nan 0.000 0.435 134 A N 1.762 124.582 122.820 0.000 0.000 1.851 134 A HA -0.192 4.130 4.320 0.003 0.000 0.216 134 A C 2.449 180.050 177.584 0.029 0.000 1.195 134 A CA 1.994 54.070 52.037 0.065 0.000 0.622 134 A CB -0.876 18.234 19.000 0.183 0.000 0.831 134 A HN 0.404 nan 8.150 nan 0.000 0.444 135 A N -0.429 122.377 122.820 -0.023 0.000 1.902 135 A HA 0.150 4.471 4.320 0.003 0.000 0.217 135 A C 2.518 180.077 177.584 -0.041 0.000 1.181 135 A CA 2.265 54.278 52.037 -0.039 0.000 0.623 135 A CB -1.048 17.909 19.000 -0.072 0.000 0.818 135 A HN 1.143 nan 8.150 nan 0.000 0.443 136 A N -0.048 122.664 122.820 -0.179 0.000 1.902 136 A HA -0.174 4.148 4.320 0.003 0.000 0.217 136 A C 2.132 179.826 177.584 0.182 0.000 1.181 136 A CA 2.028 53.920 52.037 -0.242 0.000 0.623 136 A CB -0.480 17.892 19.000 -1.047 0.000 0.818 136 A HN 0.594 nan 8.150 nan 0.000 0.443 137 K N -0.456 120.082 120.400 0.230 0.000 2.063 137 K HA -0.192 4.130 4.320 0.003 0.000 0.208 137 K C 1.001 177.750 176.600 0.248 0.000 1.048 137 K CA 1.733 58.263 56.287 0.404 0.000 0.928 137 K CB -0.191 32.489 32.500 0.299 0.000 0.713 137 K HN 0.380 nan 8.250 nan 0.000 0.442 138 N N 1.082 119.861 118.700 0.131 0.000 2.389 138 N HA -0.037 4.705 4.740 0.003 0.000 0.237 138 N C 0.508 176.017 175.510 -0.002 0.000 1.148 138 N CA -0.144 52.919 53.050 0.021 0.000 0.854 138 N CB -0.067 38.433 38.487 0.021 0.000 1.115 138 N HN 0.349 nan 8.380 nan 0.000 0.492 139 H N -2.035 117.059 119.070 0.040 0.000 2.567 139 H HA 0.076 4.653 4.556 0.036 0.000 0.276 139 H C 1.240 176.584 175.328 0.026 0.000 1.016 139 H CA 0.811 56.875 56.048 0.027 0.000 1.186 139 H CB -0.132 29.654 29.762 0.041 0.000 1.351 139 H HN 0.248 nan 8.280 nan 0.000 0.605 140 A N 1.434 124.078 122.820 -0.294 0.000 1.969 140 A HA -0.102 4.220 4.320 0.003 0.000 0.218 140 A C 2.552 180.101 177.584 -0.059 0.000 1.169 140 A CA 1.443 53.368 52.037 -0.186 0.000 0.635 140 A CB -0.319 18.570 19.000 -0.185 0.000 0.810 140 A HN 0.466 nan 8.150 nan 0.000 0.445 141 R N -1.816 118.661 120.500 -0.040 0.000 2.350 141 R HA 0.241 4.583 4.340 0.003 0.000 0.199 141 R C -0.520 175.781 176.300 0.001 0.000 0.876 141 R CA 0.292 56.384 56.100 -0.013 0.000 1.062 141 R CB 0.535 30.825 30.300 -0.017 0.000 1.263 141 R HN 0.195 nan 8.270 nan 0.000 0.641 142 V N 1.865 121.784 119.914 0.007 0.000 2.607 142 V HA 0.237 4.359 4.120 0.003 0.000 0.289 142 V C -0.145 175.962 176.094 0.023 0.000 1.053 142 V CA -0.045 62.259 62.300 0.006 0.000 0.996 142 V CB 1.615 33.437 31.823 -0.002 0.000 0.995 142 V HN 0.159 nan 8.190 nan 0.000 0.476 143 T N 4.461 119.018 114.554 0.005 0.000 2.801 143 T HA 0.385 4.736 4.350 0.003 0.000 0.306 143 T C -0.492 174.199 174.700 -0.015 0.000 1.020 143 T CA -0.033 62.074 62.100 0.012 0.000 0.948 143 T CB 1.086 69.970 68.868 0.027 0.000 0.962 143 T HN 0.464 nan 8.240 nan 0.000 0.465 144 V N 5.780 125.676 119.914 -0.030 0.000 2.483 144 V HA 0.733 4.855 4.120 0.003 0.000 0.295 144 V C -0.863 175.184 176.094 -0.078 0.000 1.035 144 V CA -0.412 61.846 62.300 -0.070 0.000 0.896 144 V CB 1.496 33.256 31.823 -0.105 0.000 0.986 144 V HN 0.634 nan 8.190 nan 0.000 0.447 145 V N 6.484 126.347 119.914 -0.085 0.000 2.443 145 V HA 0.288 4.410 4.120 0.003 0.000 0.293 145 V C 0.543 176.568 176.094 -0.115 0.000 1.021 145 V CA -0.266 61.979 62.300 -0.091 0.000 0.848 145 V CB 1.025 32.804 31.823 -0.073 0.000 0.998 145 V HN 1.092 nan 8.190 nan 0.000 0.424 146 C N 0.817 119.994 119.300 -0.205 0.000 3.228 146 C HA 0.426 4.887 4.460 0.003 0.000 0.290 146 C C 0.407 175.185 174.990 -0.354 0.000 1.301 146 C CA -0.318 58.503 59.018 -0.327 0.000 1.703 146 C CB -0.375 27.020 27.740 -0.576 0.000 2.141 146 C HN 0.707 nan 8.230 nan 0.000 0.656 147 E N 2.190 122.219 120.200 -0.285 0.000 2.101 147 E HA 0.282 4.633 4.350 0.003 0.000 0.260 147 E C -1.848 174.494 176.600 -0.431 0.000 0.897 147 E CA -2.235 53.996 56.400 -0.282 0.000 0.744 147 E CB 1.370 30.951 29.700 -0.198 0.000 1.140 147 E HN 0.106 nan 8.360 nan 0.000 0.419 148 P HA -0.322 nan 4.420 nan 0.000 0.219 148 P C 1.373 178.111 177.300 -0.936 0.000 1.158 148 P CA 2.867 65.246 63.100 -1.202 0.000 0.895 148 P CB 0.367 31.665 31.700 -0.670 0.000 0.792 149 E N 0.099 120.032 120.200 -0.445 0.000 2.108 149 E HA -0.314 4.037 4.350 0.003 0.000 0.203 149 E C 1.689 178.165 176.600 -0.206 0.000 1.022 149 E CA 2.040 58.287 56.400 -0.254 0.000 0.823 149 E CB -1.953 27.653 29.700 -0.158 0.000 0.744 149 E HN 0.376 nan 8.360 nan 0.000 0.456 150 D N -0.837 119.433 120.400 -0.218 0.000 2.384 150 D HA -0.092 4.550 4.640 0.003 0.000 0.222 150 D C 1.446 177.714 176.300 -0.052 0.000 0.976 150 D CA 0.584 54.514 54.000 -0.116 0.000 0.915 150 D CB -0.235 40.499 40.800 -0.111 0.000 0.896 150 D HN 0.567 nan 8.370 nan 0.000 0.523 151 Y N 0.941 121.043 120.300 -0.331 0.000 2.081 151 Y HA -0.199 4.351 4.550 0.001 0.000 0.280 151 Y C 2.660 178.503 175.900 -0.096 0.000 1.163 151 Y CA 0.096 57.903 58.100 -0.489 0.000 1.135 151 Y CB -1.142 37.084 38.460 -0.390 0.000 0.970 151 Y HN -0.105 nan 8.280 nan 0.000 0.498 152 V N -0.983 119.023 119.914 0.152 0.000 2.332 152 V HA -0.254 3.868 4.120 0.003 0.000 0.248 152 V C 2.480 178.631 176.094 0.095 0.000 1.055 152 V CA 1.473 63.849 62.300 0.127 0.000 1.038 152 V CB -1.071 30.800 31.823 0.081 0.000 0.651 152 V HN 0.206 nan 8.190 nan 0.000 0.450 153 V N -0.336 119.613 119.914 0.059 0.000 2.343 153 V HA -0.203 3.919 4.120 0.003 0.000 0.247 153 V C 2.410 178.544 176.094 0.067 0.000 1.051 153 V CA 1.877 64.205 62.300 0.046 0.000 1.036 153 V CB -0.224 31.610 31.823 0.018 0.000 0.654 153 V HN 0.421 nan 8.190 nan 0.000 0.451 154 V N -0.428 119.537 119.914 0.086 0.000 2.407 154 V HA -0.217 3.905 4.120 0.003 0.000 0.248 154 V C 2.504 178.700 176.094 0.170 0.000 1.055 154 V CA 2.182 64.559 62.300 0.128 0.000 1.049 154 V CB -0.531 31.389 31.823 0.162 0.000 0.662 154 V HN 0.539 nan 8.190 nan 0.000 0.455 155 S N -0.109 115.715 115.700 0.206 0.000 2.345 155 S HA -0.185 4.287 4.470 0.003 0.000 0.220 155 S C 2.136 176.792 174.600 0.094 0.000 1.031 155 S CA 1.918 60.217 58.200 0.165 0.000 0.996 155 S CB -0.471 62.840 63.200 0.185 0.000 0.882 155 S HN 0.679 nan 8.310 nan 0.000 0.445 156 T N 2.375 116.979 114.554 0.083 0.000 2.665 156 T HA -0.155 4.196 4.350 0.003 0.000 0.268 156 T C 1.715 176.443 174.700 0.046 0.000 1.035 156 T CA 1.363 63.497 62.100 0.056 0.000 1.151 156 T CB -0.385 68.512 68.868 0.048 0.000 0.862 156 T HN 0.442 nan 8.240 nan 0.000 0.438 157 E N 0.589 120.819 120.200 0.050 0.000 2.031 157 E HA -0.081 4.271 4.350 0.003 0.000 0.193 157 E C 2.289 178.910 176.600 0.036 0.000 0.994 157 E CA 1.157 57.580 56.400 0.040 0.000 0.800 157 E CB -0.226 29.499 29.700 0.041 0.000 0.752 157 E HN 0.513 nan 8.360 nan 0.000 0.447 158 M N 0.722 120.348 119.600 0.043 0.000 2.213 158 M HA -0.202 4.280 4.480 0.003 0.000 0.263 158 M C 2.333 178.645 176.300 0.020 0.000 1.062 158 M CA 1.424 56.742 55.300 0.030 0.000 1.105 158 M CB -0.207 32.412 32.600 0.032 0.000 1.385 158 M HN 0.120 nan 8.290 nan 0.000 0.417 159 Q N -0.279 119.536 119.800 0.025 0.000 2.398 159 Q HA 0.006 4.347 4.340 0.003 0.000 0.204 159 Q C 0.959 176.968 176.000 0.015 0.000 0.932 159 Q CA 1.177 56.990 55.803 0.017 0.000 0.916 159 Q CB -0.156 28.594 28.738 0.021 0.000 1.024 159 Q HN 0.440 nan 8.270 nan 0.000 0.504 160 S N -0.136 115.575 115.700 0.019 0.000 2.519 160 S HA 0.435 4.907 4.470 0.003 0.000 0.245 160 S C -0.248 174.360 174.600 0.013 0.000 1.152 160 S CA -0.238 57.971 58.200 0.016 0.000 1.175 160 S CB 0.547 63.758 63.200 0.018 0.000 0.829 160 S HN 0.267 nan 8.310 nan 0.000 0.472 161 S N 0.164 115.870 115.700 0.011 0.000 2.627 161 S HA 0.313 4.784 4.470 0.003 0.000 0.268 161 S C -0.611 173.993 174.600 0.007 0.000 1.130 161 S CA -0.577 57.629 58.200 0.009 0.000 0.819 161 S CB 1.220 64.427 63.200 0.011 0.000 1.100 161 S HN 0.395 nan 8.310 nan 0.000 0.465 162 E N 0.577 120.781 120.200 0.005 0.000 2.465 162 E HA 0.208 4.560 4.350 0.003 0.000 0.191 162 E C 0.506 177.107 176.600 0.003 0.000 1.053 162 E CA 0.275 56.677 56.400 0.003 0.000 0.869 162 E CB 0.030 29.732 29.700 0.003 0.000 0.977 162 E HN 0.472 nan 8.360 nan 0.000 0.483 163 S N 0.105 115.807 115.700 0.004 0.000 2.470 163 S HA 0.031 4.502 4.470 0.003 0.000 0.222 163 S C 1.227 175.828 174.600 0.002 0.000 1.024 163 S CA 0.720 58.922 58.200 0.004 0.000 0.931 163 S CB 0.567 63.771 63.200 0.007 0.000 0.791 163 S HN 0.453 nan 8.310 nan 0.000 0.513 164 K N 0.854 121.256 120.400 0.004 0.000 3.209 164 K HA -0.240 4.082 4.320 0.003 0.000 0.289 164 K C -0.366 176.236 176.600 0.003 0.000 1.191 164 K CA 1.678 57.966 56.287 0.001 0.000 0.851 164 K CB -2.695 29.802 32.500 -0.006 0.000 1.242 164 K HN 0.631 nan 8.250 nan 0.000 0.480 165 D N -1.493 118.912 120.400 0.009 0.000 2.566 165 D HA 0.666 5.308 4.640 0.003 0.000 0.254 165 D C 0.499 176.813 176.300 0.022 0.000 1.090 165 D CA 0.671 54.678 54.000 0.012 0.000 1.034 165 D CB 1.625 42.430 40.800 0.009 0.000 1.434 165 D HN 0.500 nan 8.370 nan 0.000 0.509 166 T N -1.078 113.493 114.554 0.028 0.000 2.868 166 T HA 0.487 4.839 4.350 0.003 0.000 0.292 166 T C 0.603 175.322 174.700 0.031 0.000 1.028 166 T CA -0.702 61.419 62.100 0.035 0.000 1.059 166 T CB 0.885 69.778 68.868 0.042 0.000 0.991 166 T HN 0.397 nan 8.240 nan 0.000 0.531 167 S N 1.129 116.848 115.700 0.032 0.000 2.632 167 S HA 0.224 4.696 4.470 0.003 0.000 0.267 167 S C 1.168 175.792 174.600 0.040 0.000 1.276 167 S CA -0.872 57.347 58.200 0.031 0.000 0.998 167 S CB 0.643 63.860 63.200 0.028 0.000 0.953 167 S HN 0.737 nan 8.310 nan 0.000 0.547 168 L N 0.922 122.170 121.223 0.041 0.000 2.083 168 L HA 0.036 4.378 4.340 0.003 0.000 0.209 168 L C 2.438 179.351 176.870 0.072 0.000 1.083 168 L CA 2.291 57.166 54.840 0.059 0.000 0.752 168 L CB -1.112 40.976 42.059 0.049 0.000 0.899 168 L HN 0.957 nan 8.230 nan 0.000 0.433 169 E N -1.052 119.179 120.200 0.051 0.000 2.204 169 E HA -0.158 4.193 4.350 0.003 0.000 0.195 169 E C 1.889 178.511 176.600 0.038 0.000 0.990 169 E CA 1.709 58.136 56.400 0.045 0.000 0.821 169 E CB -0.270 29.449 29.700 0.032 0.000 0.750 169 E HN 0.518 nan 8.360 nan 0.000 0.477 170 T N -0.292 114.284 114.554 0.037 0.000 3.009 170 T HA 0.099 4.451 4.350 0.003 0.000 0.258 170 T C 1.639 176.357 174.700 0.031 0.000 1.063 170 T CA 0.404 62.520 62.100 0.028 0.000 1.139 170 T CB -0.011 68.874 68.868 0.028 0.000 0.890 170 T HN 0.123 nan 8.240 nan 0.000 0.471 171 R N 0.878 121.412 120.500 0.056 0.000 2.189 171 R HA 0.113 4.455 4.340 0.003 0.000 0.218 171 R C 2.524 178.861 176.300 0.063 0.000 1.074 171 R CA 0.700 56.846 56.100 0.076 0.000 0.991 171 R CB -0.039 30.331 30.300 0.117 0.000 0.883 171 R HN 0.341 nan 8.270 nan 0.000 0.457 172 R N 0.225 120.759 120.500 0.057 0.000 2.062 172 R HA -0.076 4.266 4.340 0.003 0.000 0.229 172 R C 2.236 178.487 176.300 -0.081 0.000 1.128 172 R CA 0.957 57.034 56.100 -0.037 0.000 0.960 172 R CB -0.073 30.247 30.300 0.033 0.000 0.855 172 R HN 0.144 nan 8.270 nan 0.000 0.432 173 Q N 0.727 120.510 119.800 -0.029 0.000 2.119 173 Q HA -0.089 4.253 4.340 0.003 0.000 0.201 173 Q C 2.255 178.232 176.000 -0.038 0.000 0.972 173 Q CA 1.240 57.028 55.803 -0.026 0.000 0.847 173 Q CB -0.145 28.586 28.738 -0.011 0.000 0.903 173 Q HN 0.381 nan 8.270 nan 0.000 0.433 174 L N -0.035 121.162 121.223 -0.042 0.000 2.109 174 L HA -0.091 4.251 4.340 0.003 0.000 0.207 174 L C 2.416 179.235 176.870 -0.084 0.000 1.086 174 L CA 0.967 55.773 54.840 -0.057 0.000 0.760 174 L CB -0.579 41.455 42.059 -0.042 0.000 0.910 174 L HN 0.092 nan 8.230 nan 0.000 0.437 175 A N -0.014 122.741 122.820 -0.108 0.000 1.930 175 A HA -0.201 4.120 4.320 0.003 0.000 0.217 175 A C 2.196 179.768 177.584 -0.020 0.000 1.175 175 A CA 1.489 53.440 52.037 -0.142 0.000 0.627 175 A CB -0.622 18.187 19.000 -0.318 0.000 0.815 175 A HN 0.312 nan 8.150 nan 0.000 0.443 176 L N -0.046 121.174 121.223 -0.005 0.000 2.046 176 L HA -0.125 4.216 4.340 0.003 0.000 0.208 176 L C 2.140 179.048 176.870 0.062 0.000 1.077 176 L CA 2.127 57.007 54.840 0.068 0.000 0.747 176 L CB -0.582 41.488 42.059 0.020 0.000 0.896 176 L HN 0.337 nan 8.230 nan 0.000 0.432 177 K N -0.507 119.895 120.400 0.003 0.000 2.026 177 K HA -0.107 4.215 4.320 0.003 0.000 0.208 177 K C 2.096 178.694 176.600 -0.003 0.000 1.048 177 K CA 1.355 57.641 56.287 -0.002 0.000 0.929 177 K CB -0.431 32.039 32.500 -0.049 0.000 0.713 177 K HN 0.469 nan 8.250 nan 0.000 0.439 178 A N 1.148 123.918 122.820 -0.082 0.000 1.883 178 A HA -0.170 4.152 4.320 0.003 0.000 0.217 178 A C 1.946 179.477 177.584 -0.088 0.000 1.186 178 A CA 1.474 53.421 52.037 -0.150 0.000 0.624 178 A CB -0.800 18.020 19.000 -0.301 0.000 0.822 178 A HN 0.203 nan 8.150 nan 0.000 0.444 179 F N 0.740 120.694 119.950 0.008 0.000 2.293 179 F HA -0.088 4.426 4.527 -0.022 0.000 0.300 179 F C 2.650 178.469 175.800 0.032 0.000 1.086 179 F CA 1.603 59.612 58.000 0.016 0.000 1.375 179 F CB -0.827 38.170 39.000 -0.005 0.000 1.045 179 F HN 0.156 nan 8.300 nan 0.000 0.516 180 T N -2.155 112.522 114.554 0.206 0.000 2.770 180 T HA -0.206 4.146 4.350 0.003 0.000 0.263 180 T C 1.723 176.510 174.700 0.146 0.000 1.039 180 T CA 1.632 63.819 62.100 0.144 0.000 1.142 180 T CB -0.500 68.433 68.868 0.110 0.000 0.868 180 T HN 0.250 nan 8.240 nan 0.000 0.435 181 H N 1.252 120.342 119.070 0.034 0.000 2.319 181 H HA -0.118 4.437 4.556 -0.002 0.000 0.297 181 H C 2.453 177.804 175.328 0.039 0.000 1.097 181 H CA 2.301 58.359 56.048 0.016 0.000 1.285 181 H CB -0.318 29.423 29.762 -0.034 0.000 1.368 181 H HN 0.451 nan 8.280 nan 0.000 0.495 182 T N -2.687 111.944 114.554 0.128 0.000 3.055 182 T HA 0.111 4.463 4.350 0.003 0.000 0.265 182 T C 2.108 176.883 174.700 0.124 0.000 1.111 182 T CA 0.661 62.815 62.100 0.089 0.000 1.118 182 T CB -0.355 68.557 68.868 0.073 0.000 0.909 182 T HN 0.396 nan 8.240 nan 0.000 0.501 183 A N 2.087 124.977 122.820 0.117 0.000 1.840 183 A HA -0.051 4.271 4.320 0.003 0.000 0.214 183 A C 2.477 180.093 177.584 0.054 0.000 1.198 183 A CA 1.351 53.438 52.037 0.084 0.000 0.608 183 A CB -0.854 18.191 19.000 0.076 0.000 0.839 183 A HN 0.583 nan 8.150 nan 0.000 0.443 184 Q N -1.860 117.967 119.800 0.044 0.000 2.152 184 Q HA -0.254 4.088 4.340 0.003 0.000 0.206 184 Q C 1.984 177.998 176.000 0.023 0.000 0.985 184 Q CA 1.991 57.805 55.803 0.019 0.000 0.863 184 Q CB -0.428 28.309 28.738 -0.001 0.000 0.904 184 Q HN 0.799 nan 8.270 nan 0.000 0.422 185 Y N 1.710 121.945 120.300 -0.109 0.000 2.145 185 Y HA -0.224 4.326 4.550 0.001 0.000 0.286 185 Y C 1.680 177.503 175.900 -0.129 0.000 1.145 185 Y CA 1.686 59.713 58.100 -0.121 0.000 1.148 185 Y CB 0.020 38.400 38.460 -0.133 0.000 0.981 185 Y HN 0.059 nan 8.280 nan 0.000 0.507 186 D N -0.220 120.178 120.400 -0.003 0.000 2.312 186 D HA -0.104 4.538 4.640 0.003 0.000 0.211 186 D C 1.878 178.085 176.300 -0.155 0.000 0.964 186 D CA 0.897 54.822 54.000 -0.124 0.000 0.877 186 D CB -0.024 40.755 40.800 -0.034 0.000 0.924 186 D HN 0.560 nan 8.370 nan 0.000 0.515 187 E N 0.308 120.450 120.200 -0.097 0.000 2.028 187 E HA -0.054 4.297 4.350 0.003 0.000 0.190 187 E C 2.080 178.621 176.600 -0.098 0.000 0.984 187 E CA 0.696 57.049 56.400 -0.077 0.000 0.800 187 E CB 0.052 29.733 29.700 -0.032 0.000 0.758 187 E HN 0.134 nan 8.360 nan 0.000 0.448 188 A N 1.025 123.784 122.820 -0.101 0.000 1.986 188 A HA -0.198 4.124 4.320 0.003 0.000 0.220 188 A C 2.083 179.649 177.584 -0.030 0.000 1.171 188 A CA 1.214 53.225 52.037 -0.044 0.000 0.640 188 A CB -0.556 18.420 19.000 -0.040 0.000 0.811 188 A HN 0.191 nan 8.150 nan 0.000 0.451 189 I N 0.102 120.491 120.570 -0.301 0.000 2.406 189 I HA -0.170 4.002 4.170 0.003 0.000 0.249 189 I C 2.760 178.762 176.117 -0.191 0.000 1.122 189 I CA 1.328 62.368 61.300 -0.434 0.000 1.431 189 I CB -0.100 37.395 38.000 -0.840 0.000 1.087 189 I HN 0.501 nan 8.210 nan 0.000 0.424 190 S N -0.443 115.140 115.700 -0.195 0.000 2.436 190 S HA -0.185 4.287 4.470 0.003 0.000 0.228 190 S C 1.619 176.205 174.600 -0.024 0.000 1.014 190 S CA 1.224 59.346 58.200 -0.130 0.000 0.950 190 S CB -0.311 62.812 63.200 -0.129 0.000 0.784 190 S HN 0.407 nan 8.310 nan 0.000 0.504 191 D N 0.242 120.613 120.400 -0.049 0.000 2.149 191 D HA -0.115 4.527 4.640 0.003 0.000 0.201 191 D C 1.707 178.023 176.300 0.025 0.000 0.972 191 D CA 0.835 54.769 54.000 -0.110 0.000 0.835 191 D CB -0.358 40.353 40.800 -0.148 0.000 0.966 191 D HN 0.492 nan 8.370 nan 0.000 0.476 192 Y N -0.303 120.025 120.300 0.048 0.000 2.200 192 Y HA -0.138 4.413 4.550 0.002 0.000 0.290 192 Y C 1.671 177.637 175.900 0.111 0.000 1.137 192 Y CA 1.408 59.579 58.100 0.119 0.000 1.163 192 Y CB -0.446 38.221 38.460 0.346 0.000 0.988 192 Y HN -0.057 nan 8.280 nan 0.000 0.518 193 F N 0.349 120.257 119.950 -0.069 0.000 2.134 193 F HA -0.125 4.405 4.527 0.006 0.000 0.299 193 F C 2.674 178.370 175.800 -0.175 0.000 1.097 193 F CA 1.692 59.601 58.000 -0.152 0.000 1.264 193 F CB -0.852 38.203 39.000 0.092 0.000 1.001 193 F HN -0.043 nan 8.300 nan 0.000 0.479 194 R N 0.399 120.941 120.500 0.069 0.000 2.083 194 R HA -0.176 4.166 4.340 0.003 0.000 0.237 194 R C 2.158 178.402 176.300 -0.092 0.000 1.137 194 R CA 1.705 57.802 56.100 -0.006 0.000 0.951 194 R CB -0.135 30.128 30.300 -0.061 0.000 0.851 194 R HN 0.169 nan 8.270 nan 0.000 0.434 195 K N -0.857 119.440 120.400 -0.171 0.000 2.155 195 K HA -0.138 4.184 4.320 0.003 0.000 0.203 195 K C 2.085 178.506 176.600 -0.299 0.000 1.052 195 K CA 1.112 57.276 56.287 -0.204 0.000 0.948 195 K CB 0.085 32.467 32.500 -0.197 0.000 0.728 195 K HN 0.038 nan 8.250 nan 0.000 0.448 196 Q N -1.046 118.441 119.800 -0.523 0.000 2.339 196 Q HA 0.016 4.358 4.340 0.003 0.000 0.205 196 Q C 0.324 176.014 176.000 -0.518 0.000 0.925 196 Q CA 1.092 56.488 55.803 -0.679 0.000 0.898 196 Q CB 0.532 28.544 28.738 -1.209 0.000 1.013 196 Q HN 0.315 nan 8.270 nan 0.000 0.504 197 Y N -2.461 117.711 120.300 -0.214 0.000 2.527 197 Y HA 0.472 5.023 4.550 0.002 0.000 0.247 197 Y C 0.748 176.596 175.900 -0.088 0.000 1.138 197 Y CA -0.464 57.543 58.100 -0.156 0.000 1.228 197 Y CB 0.792 39.141 38.460 -0.184 0.000 1.252 197 Y HN -0.118 nan 8.280 nan 0.000 0.531 198 S N 0.003 115.724 115.700 0.035 0.000 3.073 198 S HA 0.129 4.601 4.470 0.003 0.000 0.252 198 S C -0.027 174.570 174.600 -0.006 0.000 0.953 198 S CA -0.516 57.702 58.200 0.029 0.000 1.105 198 S CB -0.043 63.187 63.200 0.051 0.000 1.070 198 S HN 0.177 nan 8.310 nan 0.000 0.574 199 K N 1.056 121.438 120.400 -0.029 0.000 2.430 199 K HA 0.279 4.601 4.320 0.003 0.000 0.280 199 K C 1.211 177.796 176.600 -0.025 0.000 1.063 199 K CA 1.386 57.651 56.287 -0.036 0.000 1.071 199 K CB -0.173 32.297 32.500 -0.050 0.000 0.899 199 K HN 0.422 nan 8.250 nan 0.000 0.473 200 G N 2.188 110.974 108.800 -0.024 0.000 2.225 200 G HA2 -0.276 3.686 3.960 0.003 0.000 0.254 200 G HA3 -0.276 3.686 3.960 0.003 0.000 0.254 200 G C 0.582 175.466 174.900 -0.026 0.000 0.988 200 G CA 0.304 45.387 45.100 -0.029 0.000 0.625 200 G HN 0.475 nan 8.290 nan 0.000 0.527 201 V N 0.904 120.809 119.914 -0.014 0.000 2.484 201 V HA 0.198 4.319 4.120 0.003 0.000 0.236 201 V C 2.461 178.553 176.094 -0.002 0.000 1.062 201 V CA 2.646 64.941 62.300 -0.009 0.000 1.081 201 V CB 0.360 32.185 31.823 0.003 0.000 0.751 201 V HN 0.999 nan 8.190 nan 0.000 0.484 202 S N -1.956 113.754 115.700 0.017 0.000 2.578 202 S HA 0.236 4.708 4.470 0.003 0.000 0.228 202 S C 0.542 175.184 174.600 0.069 0.000 1.022 202 S CA -0.193 58.031 58.200 0.040 0.000 0.967 202 S CB 0.540 63.775 63.200 0.059 0.000 0.914 202 S HN 0.440 nan 8.310 nan 0.000 0.515 203 Q N 0.892 120.718 119.800 0.044 0.000 2.423 203 Q HA 0.622 4.964 4.340 0.003 0.000 0.278 203 Q C -1.971 174.041 176.000 0.020 0.000 1.097 203 Q CA -0.635 55.205 55.803 0.062 0.000 0.809 203 Q CB 2.272 31.023 28.738 0.021 0.000 1.391 203 Q HN 0.497 nan 8.270 nan 0.000 0.428 204 M N 3.752 123.368 119.600 0.025 0.000 2.234 204 M HA 0.418 4.900 4.480 0.003 0.000 0.267 204 M C -2.771 173.527 176.300 -0.004 0.000 1.022 204 M CA -1.459 53.835 55.300 -0.009 0.000 0.993 204 M CB 2.452 35.030 32.600 -0.037 0.000 1.836 204 M HN 0.248 nan 8.290 nan 0.000 0.479 205 P HA 0.354 nan 4.420 nan 0.000 0.275 205 P C -1.366 175.922 177.300 -0.021 0.000 1.228 205 P CA -0.158 62.939 63.100 -0.005 0.000 0.786 205 P CB 0.648 32.341 31.700 -0.012 0.000 0.927 206 L N 3.312 124.530 121.223 -0.008 0.000 2.346 206 L HA 0.428 4.770 4.340 0.003 0.000 0.276 206 L C 1.775 178.605 176.870 -0.068 0.000 1.006 206 L CA -0.880 53.935 54.840 -0.041 0.000 0.817 206 L CB 1.814 43.873 42.059 0.001 0.000 1.272 206 L HN 0.396 nan 8.230 nan 0.000 0.421 207 R N 2.032 122.426 120.500 -0.176 0.000 2.159 207 R HA -0.193 4.149 4.340 0.003 0.000 0.249 207 R C -0.504 175.717 176.300 -0.132 0.000 1.136 207 R CA 2.124 58.080 56.100 -0.240 0.000 0.951 207 R CB -0.505 29.483 30.300 -0.520 0.000 0.876 207 R HN 0.654 nan 8.270 nan 0.000 0.440 208 Y N -4.723 115.607 120.300 0.050 0.000 2.814 208 Y HA 0.519 5.070 4.550 0.002 0.000 0.348 208 Y C 0.118 176.048 175.900 0.050 0.000 1.245 208 Y CA -0.987 57.132 58.100 0.031 0.000 1.086 208 Y CB 0.110 38.572 38.460 0.003 0.000 1.373 208 Y HN -0.017 nan 8.280 nan 0.000 0.451 209 G N 0.479 109.419 108.800 0.233 0.000 2.679 209 G HA2 0.220 4.182 3.960 0.003 0.000 0.202 209 G HA3 0.220 4.182 3.960 0.003 0.000 0.202 209 G C 0.633 175.454 174.900 -0.132 0.000 1.566 209 G CA 0.056 45.118 45.100 -0.063 0.000 1.074 209 G HN 0.801 nan 8.290 nan 0.000 0.564 210 M N 0.080 119.353 119.600 -0.545 0.000 2.146 210 M HA -0.061 4.421 4.480 0.003 0.000 0.256 210 M C 0.357 176.612 176.300 -0.074 0.000 1.075 210 M CA 1.363 56.475 55.300 -0.313 0.000 1.082 210 M CB -0.352 32.047 32.600 -0.335 0.000 1.355 210 M HN 0.428 nan 8.290 nan 0.000 0.402 211 N N -2.692 115.919 118.700 -0.149 0.000 2.610 211 N HA 0.250 4.992 4.740 0.003 0.000 0.264 211 N C -2.463 172.761 175.510 -0.476 0.000 1.348 211 N CA -1.145 51.782 53.050 -0.206 0.000 0.819 211 N CB 0.948 39.386 38.487 -0.081 0.000 1.521 211 N HN -0.292 nan 8.380 nan 0.000 0.497 212 P HA -0.168 nan 4.420 nan 0.000 0.218 212 P C 0.977 178.121 177.300 -0.261 0.000 1.146 212 P CA 1.456 64.067 63.100 -0.814 0.000 0.813 212 P CB -0.077 31.298 31.700 -0.542 0.000 0.778 213 H N -1.877 117.070 119.070 -0.206 0.000 2.548 213 H HA 0.165 4.723 4.556 0.003 0.000 0.265 213 H C 0.255 175.545 175.328 -0.062 0.000 0.969 213 H CA 0.216 56.203 56.048 -0.102 0.000 1.155 213 H CB -0.412 29.303 29.762 -0.078 0.000 1.394 213 H HN 0.197 nan 8.280 nan 0.000 0.570 214 Q N 1.968 121.494 119.800 -0.457 0.000 2.673 214 Q HA 0.233 4.575 4.340 0.003 0.000 0.224 214 Q C -0.537 175.404 176.000 -0.098 0.000 1.226 214 Q CA -0.248 55.358 55.803 -0.329 0.000 1.019 214 Q CB 1.123 29.605 28.738 -0.426 0.000 1.312 214 Q HN 0.304 nan 8.270 nan 0.000 0.566 215 T N 0.255 114.793 114.554 -0.027 0.000 2.906 215 T HA 0.652 5.004 4.350 0.003 0.000 0.295 215 T C -2.213 172.505 174.700 0.031 0.000 1.075 215 T CA -1.471 60.653 62.100 0.040 0.000 1.005 215 T CB 1.266 70.182 68.868 0.080 0.000 1.136 215 T HN 0.319 nan 8.240 nan 0.000 0.498 216 P HA 0.794 nan 4.420 nan 0.000 0.293 216 P C -1.330 176.017 177.300 0.079 0.000 1.304 216 P CA -0.683 62.455 63.100 0.062 0.000 0.767 216 P CB 0.699 32.429 31.700 0.051 0.000 1.247 217 A N -0.516 122.365 122.820 0.102 0.000 2.606 217 A HA 0.639 4.960 4.320 0.003 0.000 0.293 217 A C -1.202 176.464 177.584 0.135 0.000 1.082 217 A CA -0.511 51.617 52.037 0.153 0.000 0.685 217 A CB 1.778 20.907 19.000 0.216 0.000 1.284 217 A HN 0.797 nan 8.150 nan 0.000 0.408 218 Q N -0.480 119.416 119.800 0.161 0.000 2.782 218 Q HA 0.807 5.149 4.340 0.003 0.000 0.308 218 Q C -2.012 174.044 176.000 0.093 0.000 0.883 218 Q CA -0.889 54.986 55.803 0.120 0.000 0.755 218 Q CB 1.487 30.310 28.738 0.142 0.000 1.454 218 Q HN 1.267 nan 8.270 nan 0.000 0.452 219 L N 1.415 122.680 121.223 0.070 0.000 2.431 219 L HA 0.801 5.143 4.340 0.003 0.000 0.266 219 L C -1.893 175.037 176.870 0.100 0.000 0.978 219 L CA -0.314 54.511 54.840 -0.026 0.000 0.822 219 L CB 2.145 44.134 42.059 -0.116 0.000 1.310 219 L HN 0.791 nan 8.230 nan 0.000 0.409 220 Y N 0.649 120.916 120.300 -0.055 0.000 2.725 220 Y HA 0.822 5.372 4.550 0.000 0.000 0.333 220 Y C -1.141 174.741 175.900 -0.031 0.000 1.242 220 Y CA -0.745 57.333 58.100 -0.038 0.000 1.059 220 Y CB 1.349 39.800 38.460 -0.014 0.000 1.306 220 Y HN 0.674 nan 8.280 nan 0.000 0.454 221 T N 0.527 115.193 114.554 0.186 0.000 2.883 221 T HA 0.486 4.838 4.350 0.003 0.000 0.296 221 T C -0.424 174.399 174.700 0.205 0.000 1.117 221 T CA -0.853 61.307 62.100 0.100 0.000 1.006 221 T CB 1.348 70.243 68.868 0.046 0.000 1.191 221 T HN 0.833 nan 8.240 nan 0.000 0.508 222 L N 1.470 122.783 121.223 0.149 0.000 2.607 222 L HA 0.264 4.606 4.340 0.003 0.000 0.228 222 L C 1.064 177.989 176.870 0.092 0.000 1.123 222 L CA -0.124 54.794 54.840 0.131 0.000 0.890 222 L CB 0.057 42.181 42.059 0.109 0.000 1.103 222 L HN 0.486 nan 8.230 nan 0.000 0.468 223 Q N 0.369 120.224 119.800 0.093 0.000 2.443 223 Q HA 0.115 4.457 4.340 0.003 0.000 0.232 223 Q C -1.436 174.605 176.000 0.069 0.000 1.026 223 Q CA -1.510 54.342 55.803 0.081 0.000 0.924 223 Q CB 0.272 29.074 28.738 0.106 0.000 1.256 223 Q HN -0.091 nan 8.270 nan 0.000 0.519 224 P HA -0.021 nan 4.420 nan 0.000 0.226 224 P C -0.254 177.070 177.300 0.040 0.000 1.153 224 P CA 1.217 64.345 63.100 0.048 0.000 0.777 224 P CB 0.450 32.173 31.700 0.038 0.000 0.794 225 K N -0.587 119.834 120.400 0.034 0.000 2.501 225 K HA 0.327 4.648 4.320 0.003 0.000 0.252 225 K C -0.845 175.749 176.600 -0.011 0.000 0.934 225 K CA -0.827 55.467 56.287 0.011 0.000 0.797 225 K CB 1.394 33.897 32.500 0.005 0.000 1.270 225 K HN -0.158 nan 8.250 nan 0.000 0.431 226 L N 4.784 125.981 121.223 -0.043 0.000 2.467 226 L HA 0.160 4.502 4.340 0.003 0.000 0.270 226 L C -1.275 175.496 176.870 -0.166 0.000 1.205 226 L CA -0.982 53.793 54.840 -0.109 0.000 0.828 226 L CB 0.702 42.693 42.059 -0.113 0.000 1.101 226 L HN 0.666 nan 8.230 nan 0.000 0.479 227 P HA 0.103 nan 4.420 nan 0.000 0.257 227 P C 0.102 177.194 177.300 -0.347 0.000 1.241 227 P CA 0.577 63.457 63.100 -0.367 0.000 0.816 227 P CB 0.741 31.954 31.700 -0.812 0.000 1.150 228 I N 0.286 120.668 120.570 -0.315 0.000 2.412 228 I HA 0.295 4.467 4.170 0.003 0.000 0.296 228 I C -0.730 175.278 176.117 -0.181 0.000 0.987 228 I CA -0.355 60.781 61.300 -0.273 0.000 1.180 228 I CB 1.895 39.725 38.000 -0.283 0.000 1.340 228 I HN -0.255 nan 8.210 nan 0.000 0.455 229 T N 6.118 120.584 114.554 -0.147 0.000 2.824 229 T HA 0.363 4.715 4.350 0.003 0.000 0.282 229 T C -0.589 174.057 174.700 -0.090 0.000 0.993 229 T CA -0.386 61.653 62.100 -0.102 0.000 0.967 229 T CB 1.764 70.584 68.868 -0.080 0.000 0.960 229 T HN 0.216 nan 8.240 nan 0.000 0.441 230 V N 5.286 125.149 119.914 -0.085 0.000 2.408 230 V HA 0.230 4.351 4.120 0.003 0.000 0.267 230 V C 1.013 177.056 176.094 -0.086 0.000 1.047 230 V CA -0.109 62.140 62.300 -0.085 0.000 0.937 230 V CB 0.617 32.392 31.823 -0.079 0.000 0.999 230 V HN 0.852 nan 8.190 nan 0.000 0.472 231 L N 3.350 124.508 121.223 -0.109 0.000 2.463 231 L HA 0.320 4.662 4.340 0.003 0.000 0.219 231 L C 0.656 177.451 176.870 -0.125 0.000 1.088 231 L CA 0.570 55.335 54.840 -0.125 0.000 0.849 231 L CB 0.216 42.160 42.059 -0.192 0.000 1.012 231 L HN 0.742 nan 8.230 nan 0.000 0.468 232 N N -1.159 117.465 118.700 -0.126 0.000 2.516 232 N HA 0.483 5.225 4.740 0.003 0.000 0.268 232 N C -0.297 175.158 175.510 -0.092 0.000 1.096 232 N CA 0.616 53.607 53.050 -0.098 0.000 0.954 232 N CB 1.618 40.048 38.487 -0.095 0.000 1.676 232 N HN 0.170 nan 8.380 nan 0.000 0.490 233 G N 1.521 110.283 108.800 -0.064 0.000 2.568 233 G HA2 0.402 4.364 3.960 0.003 0.000 0.222 233 G HA3 0.402 4.364 3.960 0.003 0.000 0.222 233 G C -0.991 173.871 174.900 -0.063 0.000 1.321 233 G CA -0.132 44.932 45.100 -0.060 0.000 0.893 233 G HN 1.429 nan 8.290 nan 0.000 0.569 234 A N 0.792 123.573 122.820 -0.065 0.000 2.684 234 A HA 0.762 5.083 4.320 0.003 0.000 0.289 234 A C -1.854 175.683 177.584 -0.079 0.000 1.139 234 A CA 0.064 52.059 52.037 -0.069 0.000 0.793 234 A CB 1.336 20.298 19.000 -0.063 0.000 1.334 234 A HN 1.039 nan 8.150 nan 0.000 0.408 235 P HA 0.352 nan 4.420 nan 0.000 0.268 235 P C 0.439 177.668 177.300 -0.117 0.000 1.208 235 P CA 0.459 63.509 63.100 -0.084 0.000 0.777 235 P CB 1.262 32.902 31.700 -0.100 0.000 0.875 236 G N 0.031 108.758 108.800 -0.121 0.000 2.667 236 G HA2 0.315 4.277 3.960 0.003 0.000 0.310 236 G HA3 0.315 4.277 3.960 0.003 0.000 0.310 236 G C 0.101 174.961 174.900 -0.066 0.000 1.259 236 G CA -0.764 44.253 45.100 -0.138 0.000 1.019 236 G HN 0.381 nan 8.290 nan 0.000 0.496 237 F N -0.123 119.752 119.950 -0.125 0.000 2.065 237 F HA -0.111 4.417 4.527 0.001 0.000 0.298 237 F C 2.462 178.218 175.800 -0.074 0.000 1.112 237 F CA 1.687 59.644 58.000 -0.071 0.000 1.212 237 F CB -0.000 38.996 39.000 -0.006 0.000 0.975 237 F HN 0.233 nan 8.300 nan 0.000 0.476 238 I N -0.226 120.498 120.570 0.258 0.000 2.546 238 I HA -0.280 3.891 4.170 0.003 0.000 0.255 238 I C 1.895 177.969 176.117 -0.071 0.000 1.163 238 I CA 1.250 62.631 61.300 0.135 0.000 1.457 238 I CB -0.641 37.433 38.000 0.124 0.000 1.092 238 I HN 0.250 nan 8.210 nan 0.000 0.434 239 N N 0.869 119.488 118.700 -0.134 0.000 2.120 239 N HA -0.152 4.590 4.740 0.003 0.000 0.188 239 N C 1.887 177.019 175.510 -0.630 0.000 1.024 239 N CA 1.021 53.860 53.050 -0.351 0.000 0.852 239 N CB -0.022 38.347 38.487 -0.197 0.000 1.003 239 N HN 0.254 nan 8.380 nan 0.000 0.424 240 L N 0.160 121.119 121.223 -0.440 0.000 2.156 240 L HA -0.113 4.229 4.340 0.003 0.000 0.208 240 L C 2.189 178.827 176.870 -0.387 0.000 1.095 240 L CA 0.532 55.105 54.840 -0.445 0.000 0.770 240 L CB -0.307 41.517 42.059 -0.391 0.000 0.914 240 L HN 0.368 nan 8.230 nan 0.000 0.439 241 C N -0.141 118.972 119.300 -0.311 0.000 2.435 241 C HA -0.113 4.349 4.460 0.003 0.000 0.279 241 C C 2.288 177.190 174.990 -0.147 0.000 1.321 241 C CA 0.579 59.491 59.018 -0.176 0.000 1.752 241 C CB -0.677 27.042 27.740 -0.036 0.000 1.959 241 C HN 0.538 nan 8.230 nan 0.000 0.500 242 D N 0.881 121.150 120.400 -0.217 0.000 2.162 242 D HA 0.048 4.689 4.640 0.003 0.000 0.205 242 D C 2.296 178.327 176.300 -0.449 0.000 0.964 242 D CA 1.326 55.219 54.000 -0.178 0.000 0.847 242 D CB -0.468 40.314 40.800 -0.029 0.000 0.988 242 D HN 0.410 nan 8.370 nan 0.000 0.480 243 A N 0.660 123.084 122.820 -0.660 0.000 1.858 243 A HA -0.128 4.194 4.320 0.003 0.000 0.216 243 A C 2.230 179.642 177.584 -0.286 0.000 1.190 243 A CA 1.073 52.760 52.037 -0.583 0.000 0.617 243 A CB -0.914 17.589 19.000 -0.830 0.000 0.827 243 A HN 0.201 nan 8.150 nan 0.000 0.443 244 L N -0.267 120.797 121.223 -0.265 0.000 2.141 244 L HA -0.171 4.171 4.340 0.003 0.000 0.209 244 L C 2.368 179.162 176.870 -0.127 0.000 1.094 244 L CA 1.068 55.833 54.840 -0.125 0.000 0.763 244 L CB -0.565 41.419 42.059 -0.124 0.000 0.908 244 L HN 0.438 nan 8.230 nan 0.000 0.437 245 N N 0.167 118.723 118.700 -0.239 0.000 2.171 245 N HA -0.102 4.639 4.740 0.003 0.000 0.184 245 N C 1.964 177.071 175.510 -0.671 0.000 1.021 245 N CA 1.364 54.244 53.050 -0.284 0.000 0.854 245 N CB -0.089 38.371 38.487 -0.045 0.000 0.994 245 N HN 0.277 nan 8.380 nan 0.000 0.426 246 A N 2.080 124.285 122.820 -1.026 0.000 1.873 246 A HA -0.197 4.124 4.320 0.003 0.000 0.218 246 A C 2.012 179.388 177.584 -0.346 0.000 1.193 246 A CA 1.305 52.808 52.037 -0.891 0.000 0.629 246 A CB -1.356 17.291 19.000 -0.588 0.000 0.826 246 A HN 0.638 nan 8.150 nan 0.000 0.447 247 W N 0.653 121.759 121.300 -0.324 0.000 2.325 247 W HA -0.244 4.417 4.660 0.002 0.000 0.299 247 W C 1.973 178.354 176.519 -0.231 0.000 1.215 247 W CA 2.095 59.319 57.345 -0.202 0.000 1.244 247 W CB -0.260 29.108 29.460 -0.154 0.000 1.140 247 W HN 0.542 nan 8.180 nan 0.000 0.523 248 Q N 0.397 119.878 119.800 -0.532 0.000 2.123 248 Q HA -0.191 4.151 4.340 0.003 0.000 0.199 248 Q C 2.525 178.037 176.000 -0.813 0.000 0.966 248 Q CA 1.516 56.928 55.803 -0.652 0.000 0.845 248 Q CB -0.474 27.937 28.738 -0.546 0.000 0.907 248 Q HN 0.365 nan 8.270 nan 0.000 0.439 249 L N 0.803 121.466 121.223 -0.933 0.000 1.994 249 L HA -0.182 4.160 4.340 0.003 0.000 0.208 249 L C 2.379 179.080 176.870 -0.280 0.000 1.071 249 L CA 1.480 55.995 54.840 -0.541 0.000 0.745 249 L CB -0.324 41.633 42.059 -0.170 0.000 0.892 249 L HN 0.228 nan 8.230 nan 0.000 0.431 250 V N -2.568 117.168 119.914 -0.297 0.000 2.626 250 V HA -0.248 3.874 4.120 0.003 0.000 0.252 250 V C 2.440 178.317 176.094 -0.362 0.000 1.067 250 V CA 2.002 64.153 62.300 -0.248 0.000 1.081 250 V CB -0.865 30.842 31.823 -0.193 0.000 0.686 250 V HN 0.488 nan 8.190 nan 0.000 0.468 251 K N 0.217 120.258 120.400 -0.599 0.000 2.155 251 K HA -0.129 4.193 4.320 0.003 0.000 0.203 251 K C 2.184 178.613 176.600 -0.286 0.000 1.052 251 K CA 1.667 57.611 56.287 -0.571 0.000 0.948 251 K CB -0.095 31.905 32.500 -0.833 0.000 0.728 251 K HN 0.676 nan 8.250 nan 0.000 0.448 252 E N 0.556 120.624 120.200 -0.220 0.000 2.158 252 E HA -0.122 4.230 4.350 0.003 0.000 0.191 252 E C 2.086 178.654 176.600 -0.053 0.000 0.982 252 E CA 0.509 56.858 56.400 -0.084 0.000 0.823 252 E CB 0.077 29.785 29.700 0.012 0.000 0.766 252 E HN 0.286 nan 8.360 nan 0.000 0.468 253 L N 1.062 122.245 121.223 -0.066 0.000 1.976 253 L HA -0.227 4.114 4.340 0.003 0.000 0.209 253 L C 2.612 179.456 176.870 -0.042 0.000 1.071 253 L CA 1.310 56.130 54.840 -0.033 0.000 0.746 253 L CB -0.292 41.751 42.059 -0.027 0.000 0.890 253 L HN 0.032 nan 8.230 nan 0.000 0.432 254 K N 0.563 120.919 120.400 -0.073 0.000 2.034 254 K HA -0.273 4.048 4.320 0.003 0.000 0.214 254 K C 2.067 178.640 176.600 -0.045 0.000 1.051 254 K CA 2.519 58.769 56.287 -0.062 0.000 0.931 254 K CB -0.529 31.915 32.500 -0.094 0.000 0.715 254 K HN 0.343 nan 8.250 nan 0.000 0.446 255 E N 0.029 120.196 120.200 -0.055 0.000 2.051 255 E HA -0.115 4.237 4.350 0.003 0.000 0.192 255 E C 2.094 178.685 176.600 -0.016 0.000 0.991 255 E CA 1.844 58.224 56.400 -0.033 0.000 0.799 255 E CB -1.190 28.488 29.700 -0.038 0.000 0.748 255 E HN 0.591 nan 8.360 nan 0.000 0.449 256 A N -0.230 122.584 122.820 -0.010 0.000 1.898 256 A HA 0.180 4.502 4.320 0.003 0.000 0.216 256 A C 2.367 179.953 177.584 0.002 0.000 1.181 256 A CA 1.546 53.587 52.037 0.007 0.000 0.620 256 A CB -0.089 18.926 19.000 0.025 0.000 0.819 256 A HN 0.447 nan 8.150 nan 0.000 0.442 257 L N -2.378 118.841 121.223 -0.006 0.000 2.638 257 L HA 0.284 4.626 4.340 0.003 0.000 0.232 257 L C 1.756 178.620 176.870 -0.011 0.000 1.099 257 L CA 0.491 55.325 54.840 -0.010 0.000 0.883 257 L CB 0.100 42.152 42.059 -0.013 0.000 1.136 257 L HN 0.539 nan 8.230 nan 0.000 0.492 258 G N 1.294 110.087 108.800 -0.012 0.000 2.189 258 G HA2 -0.300 3.662 3.960 0.003 0.000 0.267 258 G HA3 -0.300 3.662 3.960 0.003 0.000 0.267 258 G C 0.353 175.248 174.900 -0.008 0.000 0.975 258 G CA 0.378 45.472 45.100 -0.010 0.000 0.644 258 G HN 0.294 nan 8.290 nan 0.000 0.537 259 I N 1.352 121.917 120.570 -0.008 0.000 2.566 259 I HA 0.368 4.540 4.170 0.003 0.000 0.303 259 I C -1.994 174.121 176.117 -0.004 0.000 0.983 259 I CA -2.638 58.661 61.300 -0.003 0.000 1.235 259 I CB 1.552 39.552 38.000 0.001 0.000 1.386 259 I HN -0.167 nan 8.210 nan 0.000 0.494 260 P HA 0.213 nan 4.420 nan 0.000 0.271 260 P C -1.158 176.148 177.300 0.011 0.000 1.218 260 P CA -0.088 63.014 63.100 0.004 0.000 0.780 260 P CB 0.875 32.582 31.700 0.012 0.000 0.901 261 A N 1.825 124.648 122.820 0.003 0.000 2.430 261 A HA 0.919 5.241 4.320 0.003 0.000 0.300 261 A C -1.228 176.382 177.584 0.044 0.000 1.124 261 A CA -0.528 51.519 52.037 0.017 0.000 0.766 261 A CB 1.673 20.666 19.000 -0.012 0.000 1.328 261 A HN 0.533 nan 8.150 nan 0.000 0.424 262 A N -0.689 122.182 122.820 0.086 0.000 2.606 262 A HA 0.964 5.286 4.320 0.003 0.000 0.293 262 A C -0.564 177.134 177.584 0.190 0.000 1.082 262 A CA 0.041 52.169 52.037 0.151 0.000 0.685 262 A CB 1.198 20.337 19.000 0.231 0.000 1.284 262 A HN 2.600 nan 8.150 nan 0.000 0.408 263 A N -0.155 122.821 122.820 0.259 0.000 2.556 263 A HA 0.872 5.194 4.320 0.003 0.000 0.294 263 A C -0.546 177.291 177.584 0.422 0.000 1.091 263 A CA -0.013 52.216 52.037 0.320 0.000 0.704 263 A CB 1.552 20.779 19.000 0.379 0.000 1.300 263 A HN 1.867 nan 8.150 nan 0.000 0.406 264 S N 0.555 116.489 115.700 0.389 0.000 2.669 264 S HA 0.680 5.152 4.470 0.003 0.000 0.315 264 S C -1.658 173.143 174.600 0.337 0.000 1.106 264 S CA -0.265 58.167 58.200 0.386 0.000 1.107 264 S CB -0.330 63.030 63.200 0.268 0.000 0.990 264 S HN 0.428 nan 8.310 nan 0.000 0.471 265 F N 3.893 123.983 119.950 0.233 0.000 2.420 265 F HA 0.605 5.133 4.527 0.003 0.000 0.342 265 F C 0.561 176.487 175.800 0.209 0.000 1.113 265 F CA -0.634 57.493 58.000 0.212 0.000 1.059 265 F CB 1.468 40.588 39.000 0.200 0.000 1.128 265 F HN 0.249 nan 8.300 nan 0.000 0.475 266 K N 3.225 123.770 120.400 0.241 0.000 2.545 266 K HA 0.235 4.556 4.320 0.003 0.000 0.252 266 K C -0.436 176.331 176.600 0.277 0.000 0.948 266 K CA -0.496 55.936 56.287 0.242 0.000 0.827 266 K CB 0.660 33.302 32.500 0.237 0.000 1.128 266 K HN 0.682 nan 8.250 nan 0.000 0.429 267 H N 1.767 120.963 119.070 0.211 0.000 2.770 267 H HA -0.143 4.414 4.556 0.003 0.000 0.309 267 H C -0.040 175.413 175.328 0.207 0.000 1.206 267 H CA 0.959 57.118 56.048 0.185 0.000 1.147 267 H CB -1.160 28.688 29.762 0.143 0.000 1.422 267 H HN 0.548 nan 8.280 nan 0.000 0.420 268 V N -1.406 118.709 119.914 0.335 0.000 4.868 268 V HA -0.294 3.827 4.120 0.003 0.000 0.274 268 V C 0.535 176.905 176.094 0.459 0.000 0.450 268 V CA 1.592 64.143 62.300 0.419 0.000 0.773 268 V CB -1.816 30.174 31.823 0.278 0.000 0.704 268 V HN 0.589 nan 8.190 nan 0.000 1.326 269 S N 0.276 116.132 115.700 0.261 0.000 2.541 269 S HA 0.656 5.128 4.470 0.003 0.000 0.271 269 S C -2.836 171.168 174.600 -0.993 0.000 1.133 269 S CA -0.841 57.274 58.200 -0.142 0.000 0.876 269 S CB 3.450 66.651 63.200 0.002 0.000 1.105 269 S HN 0.278 nan 8.310 nan 0.000 0.470 270 P HA 0.311 nan 4.420 nan 0.000 0.281 270 P C -0.178 176.894 177.300 -0.381 0.000 1.252 270 P CA -0.293 62.083 63.100 -1.207 0.000 0.778 270 P CB 1.276 32.575 31.700 -0.669 0.000 0.895 271 A N 3.366 126.072 122.820 -0.189 0.000 2.072 271 A HA 0.424 4.746 4.320 0.003 0.000 0.216 271 A C 1.062 178.651 177.584 0.008 0.000 1.156 271 A CA 1.096 53.121 52.037 -0.020 0.000 0.701 271 A CB -0.481 18.560 19.000 0.068 0.000 0.816 271 A HN 0.672 nan 8.150 nan 0.000 0.458 272 G N -2.447 106.357 108.800 0.006 0.000 2.667 272 G HA2 0.660 4.622 3.960 0.003 0.000 0.294 272 G HA3 0.660 4.622 3.960 0.003 0.000 0.294 272 G C -1.294 173.641 174.900 0.058 0.000 1.467 272 G CA 0.181 45.297 45.100 0.026 0.000 0.852 272 G HN 1.160 nan 8.290 nan 0.000 0.521 273 A N -0.565 122.283 122.820 0.047 0.000 2.540 273 A HA 1.083 5.405 4.320 0.003 0.000 0.297 273 A C -0.385 177.227 177.584 0.046 0.000 1.056 273 A CA 0.243 52.325 52.037 0.075 0.000 0.700 273 A CB 1.428 20.479 19.000 0.084 0.000 1.280 273 A HN 2.576 nan 8.150 nan 0.000 0.398 274 A N 0.657 123.513 122.820 0.059 0.000 2.610 274 A HA 0.821 5.143 4.320 0.003 0.000 0.291 274 A C -0.648 176.964 177.584 0.047 0.000 1.086 274 A CA 0.010 52.073 52.037 0.043 0.000 0.677 274 A CB 0.766 19.794 19.000 0.047 0.000 1.278 274 A HN 2.212 nan 8.150 nan 0.000 0.414 275 V N -0.890 119.044 119.914 0.035 0.000 2.713 275 V HA 0.789 4.911 4.120 0.003 0.000 0.307 275 V C 0.965 177.083 176.094 0.040 0.000 1.052 275 V CA -0.090 62.228 62.300 0.030 0.000 0.967 275 V CB 1.323 33.154 31.823 0.013 0.000 1.019 275 V HN 1.756 nan 8.190 nan 0.000 0.459 276 G N 2.963 111.786 108.800 0.038 0.000 2.894 276 G HA2 0.202 4.164 3.960 0.003 0.000 0.265 276 G HA3 0.202 4.164 3.960 0.003 0.000 0.265 276 G C 0.077 175.000 174.900 0.038 0.000 0.735 276 G CA -0.112 45.014 45.100 0.042 0.000 2.064 276 G HN 0.658 nan 8.290 nan 0.000 0.590 277 I N 1.445 122.044 120.570 0.048 0.000 2.352 277 I HA 0.136 4.308 4.170 0.003 0.000 0.290 277 I C -1.799 174.356 176.117 0.064 0.000 1.036 277 I CA -2.059 59.272 61.300 0.051 0.000 1.336 277 I CB 1.551 39.586 38.000 0.057 0.000 1.407 277 I HN 0.092 nan 8.210 nan 0.000 0.497 278 P HA -0.091 nan 4.420 nan 0.000 0.259 278 P C -0.788 176.567 177.300 0.092 0.000 1.155 278 P CA -0.008 63.118 63.100 0.044 0.000 0.759 278 P CB 0.186 31.905 31.700 0.031 0.000 0.753 279 L N 3.318 124.603 121.223 0.104 0.000 2.360 279 L HA 0.164 4.506 4.340 0.003 0.000 0.276 279 L C 1.085 178.137 176.870 0.303 0.000 1.121 279 L CA 0.528 55.489 54.840 0.202 0.000 0.845 279 L CB 0.243 42.440 42.059 0.230 0.000 1.143 279 L HN 0.391 nan 8.230 nan 0.000 0.452 280 S N 1.723 117.586 115.700 0.272 0.000 2.600 280 S HA 0.152 4.624 4.470 0.003 0.000 0.265 280 S C 1.005 175.764 174.600 0.266 0.000 1.325 280 S CA -0.424 57.933 58.200 0.260 0.000 1.002 280 S CB 0.585 63.892 63.200 0.179 0.000 0.921 280 S HN 0.696 nan 8.310 nan 0.000 0.554 281 E N 0.584 120.839 120.200 0.092 0.000 2.118 281 E HA -0.179 4.173 4.350 0.003 0.000 0.195 281 E C 1.157 177.615 176.600 -0.237 0.000 0.992 281 E CA 1.668 57.904 56.400 -0.272 0.000 0.804 281 E CB -0.096 29.368 29.700 -0.393 0.000 0.741 281 E HN 0.671 nan 8.360 nan 0.000 0.458 282 D N 0.164 120.487 120.400 -0.129 0.000 2.234 282 D HA -0.096 4.546 4.640 0.003 0.000 0.205 282 D C 1.519 177.762 176.300 -0.094 0.000 0.962 282 D CA 0.682 54.593 54.000 -0.148 0.000 0.855 282 D CB 0.032 40.783 40.800 -0.082 0.000 0.951 282 D HN 0.280 nan 8.370 nan 0.000 0.500 283 E N 0.792 121.021 120.200 0.047 0.000 2.152 283 E HA -0.057 4.295 4.350 0.003 0.000 0.192 283 E C 2.043 178.701 176.600 0.096 0.000 0.983 283 E CA 0.595 57.066 56.400 0.117 0.000 0.818 283 E CB 0.083 29.936 29.700 0.254 0.000 0.758 283 E HN 0.133 nan 8.360 nan 0.000 0.467 284 A N 1.414 124.317 122.820 0.139 0.000 2.014 284 A HA -0.149 4.172 4.320 0.003 0.000 0.218 284 A C 2.249 179.895 177.584 0.105 0.000 1.163 284 A CA 1.875 54.037 52.037 0.208 0.000 0.652 284 A CB -0.542 18.723 19.000 0.441 0.000 0.808 284 A HN 0.223 nan 8.150 nan 0.000 0.449 285 K N -0.660 119.711 120.400 -0.049 0.000 2.021 285 K HA 0.119 4.441 4.320 0.003 0.000 0.205 285 K C 1.975 178.511 176.600 -0.107 0.000 1.047 285 K CA 1.352 57.573 56.287 -0.111 0.000 0.943 285 K CB -1.525 30.821 32.500 -0.257 0.000 0.725 285 K HN 0.275 nan 8.250 nan 0.000 0.439 286 V N 0.802 120.604 119.914 -0.186 0.000 2.370 286 V HA -0.319 3.803 4.120 0.003 0.000 0.252 286 V C 2.465 178.521 176.094 -0.064 0.000 1.068 286 V CA 1.978 64.141 62.300 -0.228 0.000 1.061 286 V CB -0.793 30.719 31.823 -0.519 0.000 0.656 286 V HN 0.724 nan 8.190 nan 0.000 0.455 287 C N -0.564 118.742 119.300 0.010 0.000 2.576 287 C HA 0.234 4.695 4.460 0.003 0.000 0.267 287 C C 1.438 176.454 174.990 0.043 0.000 1.364 287 C CA -0.274 58.781 59.018 0.061 0.000 1.723 287 C CB -0.988 26.812 27.740 0.100 0.000 1.778 287 C HN 0.681 nan 8.230 nan 0.000 0.572 288 M N -0.630 118.985 119.600 0.024 0.000 2.620 288 M HA -0.136 4.346 4.480 0.003 0.000 0.208 288 M C 0.481 176.811 176.300 0.050 0.000 0.468 288 M CA 0.744 56.053 55.300 0.014 0.000 0.603 288 M CB -2.246 30.353 32.600 -0.002 0.000 2.246 288 M HN 0.433 nan 8.290 nan 0.000 0.753 289 V N -4.339 115.633 119.914 0.097 0.000 3.382 289 V HA 0.088 4.210 4.120 0.003 0.000 0.296 289 V C 1.452 177.652 176.094 0.176 0.000 1.529 289 V CA 0.214 62.586 62.300 0.119 0.000 1.048 289 V CB -0.460 31.439 31.823 0.126 0.000 0.878 289 V HN 0.386 nan 8.190 nan 0.000 0.442 290 Y N 4.432 124.762 120.300 0.049 0.000 2.181 290 Y HA -0.235 4.317 4.550 0.003 0.000 0.284 290 Y C 1.890 177.824 175.900 0.057 0.000 1.179 290 Y CA 2.216 60.342 58.100 0.043 0.000 1.179 290 Y CB -0.221 38.206 38.460 -0.055 0.000 0.973 290 Y HN 0.640 nan 8.280 nan 0.000 0.519 291 D N -0.799 119.543 120.400 -0.096 0.000 2.355 291 D HA -0.069 4.573 4.640 0.003 0.000 0.253 291 D C 0.782 177.020 176.300 -0.103 0.000 1.187 291 D CA 0.728 54.625 54.000 -0.173 0.000 0.900 291 D CB -0.810 39.941 40.800 -0.080 0.000 0.915 291 D HN 0.534 nan 8.370 nan 0.000 0.516 292 L N -2.412 118.782 121.223 -0.048 0.000 3.500 292 L HA 0.141 4.482 4.340 0.003 0.000 0.320 292 L C 1.266 178.158 176.870 0.036 0.000 1.205 292 L CA -0.565 54.272 54.840 -0.005 0.000 1.117 292 L CB -0.332 41.738 42.059 0.019 0.000 1.542 292 L HN -0.167 nan 8.230 nan 0.000 0.622 293 Y N 3.108 123.354 120.300 -0.090 0.000 2.100 293 Y HA -0.484 4.068 4.550 0.003 0.000 0.267 293 Y C 2.571 178.462 175.900 -0.014 0.000 1.250 293 Y CA 3.119 61.204 58.100 -0.026 0.000 1.105 293 Y CB -0.204 38.232 38.460 -0.040 0.000 0.924 293 Y HN 0.223 nan 8.280 nan 0.000 0.508 294 K N -0.476 119.950 120.400 0.042 0.000 2.574 294 K HA 0.012 4.334 4.320 0.003 0.000 0.193 294 K C 1.520 178.088 176.600 -0.053 0.000 1.035 294 K CA 1.583 57.858 56.287 -0.020 0.000 0.982 294 K CB -1.478 31.035 32.500 0.023 0.000 0.795 294 K HN 0.709 nan 8.250 nan 0.000 0.491 295 T N -3.168 111.353 114.554 -0.055 0.000 2.975 295 T HA 0.324 4.675 4.350 0.003 0.000 0.261 295 T C 0.737 175.409 174.700 -0.047 0.000 0.984 295 T CA -0.489 61.587 62.100 -0.040 0.000 0.911 295 T CB -0.409 68.448 68.868 -0.019 0.000 1.127 295 T HN 0.255 nan 8.240 nan 0.000 0.514 296 L N 3.446 124.624 121.223 -0.076 0.000 2.529 296 L HA 0.342 4.683 4.340 0.003 0.000 0.287 296 L C 1.056 177.891 176.870 -0.060 0.000 1.241 296 L CA 0.312 55.114 54.840 -0.062 0.000 0.857 296 L CB 0.215 42.212 42.059 -0.103 0.000 1.113 296 L HN 0.490 nan 8.230 nan 0.000 0.504 297 T N -1.319 113.221 114.554 -0.023 0.000 2.804 297 T HA 0.418 4.770 4.350 0.003 0.000 0.290 297 T C -2.313 172.389 174.700 0.004 0.000 1.099 297 T CA -1.589 60.502 62.100 -0.015 0.000 1.011 297 T CB 1.906 70.771 68.868 -0.005 0.000 1.291 297 T HN 0.175 nan 8.240 nan 0.000 0.523 298 P HA -0.011 nan 4.420 nan 0.000 0.214 298 P C 1.615 178.937 177.300 0.038 0.000 1.163 298 P CA 0.488 63.600 63.100 0.020 0.000 0.883 298 P CB -0.076 31.632 31.700 0.014 0.000 0.788 299 I N -0.314 120.277 120.570 0.035 0.000 2.286 299 I HA -0.214 3.957 4.170 0.003 0.000 0.248 299 I C 2.047 178.215 176.117 0.085 0.000 1.115 299 I CA 1.829 63.159 61.300 0.051 0.000 1.392 299 I CB -0.880 37.138 38.000 0.030 0.000 1.065 299 I HN -0.069 nan 8.210 nan 0.000 0.418 300 S N 0.684 116.428 115.700 0.074 0.000 2.387 300 S HA -0.012 4.459 4.470 0.003 0.000 0.226 300 S C 2.236 176.910 174.600 0.124 0.000 1.026 300 S CA 0.664 58.928 58.200 0.107 0.000 0.972 300 S CB -1.026 62.217 63.200 0.071 0.000 0.814 300 S HN 0.453 nan 8.310 nan 0.000 0.477 301 A N 1.827 124.696 122.820 0.082 0.000 2.015 301 A HA 0.392 4.714 4.320 0.003 0.000 0.219 301 A C 2.451 180.093 177.584 0.097 0.000 1.163 301 A CA 1.461 53.546 52.037 0.081 0.000 0.646 301 A CB -1.292 17.739 19.000 0.053 0.000 0.806 301 A HN 0.840 nan 8.150 nan 0.000 0.448 302 A N -1.387 121.496 122.820 0.105 0.000 1.902 302 A HA -0.104 4.218 4.320 0.003 0.000 0.217 302 A C 2.137 179.811 177.584 0.152 0.000 1.181 302 A CA 1.646 53.750 52.037 0.112 0.000 0.623 302 A CB -0.722 18.340 19.000 0.103 0.000 0.818 302 A HN 0.672 nan 8.150 nan 0.000 0.443 303 Y N 0.489 120.831 120.300 0.069 0.000 2.263 303 Y HA 0.088 4.639 4.550 0.003 0.000 0.292 303 Y C 2.619 178.576 175.900 0.095 0.000 1.130 303 Y CA 0.614 58.763 58.100 0.082 0.000 1.179 303 Y CB -0.600 37.904 38.460 0.072 0.000 0.998 303 Y HN 0.308 nan 8.280 nan 0.000 0.532 304 A N 0.739 123.552 122.820 -0.012 0.000 1.892 304 A HA -0.245 4.077 4.320 0.003 0.000 0.218 304 A C 2.357 179.908 177.584 -0.056 0.000 1.188 304 A CA 2.124 54.129 52.037 -0.052 0.000 0.631 304 A CB -0.629 18.412 19.000 0.070 0.000 0.822 304 A HN 0.518 nan 8.150 nan 0.000 0.447 305 R N -0.848 119.665 120.500 0.021 0.000 2.092 305 R HA -0.009 4.332 4.340 0.003 0.000 0.231 305 R C 2.488 178.800 176.300 0.021 0.000 1.119 305 R CA 1.073 57.221 56.100 0.080 0.000 0.970 305 R CB -0.423 29.941 30.300 0.107 0.000 0.864 305 R HN 0.522 nan 8.270 nan 0.000 0.440 306 A N 1.139 123.930 122.820 -0.049 0.000 1.930 306 A HA -0.169 4.153 4.320 0.003 0.000 0.217 306 A C 2.081 179.597 177.584 -0.113 0.000 1.175 306 A CA 1.277 53.287 52.037 -0.045 0.000 0.627 306 A CB -0.344 18.682 19.000 0.044 0.000 0.815 306 A HN 0.219 nan 8.150 nan 0.000 0.443 307 R N -0.606 119.684 120.500 -0.350 0.000 2.276 307 R HA 0.050 4.392 4.340 0.003 0.000 0.196 307 R C 1.532 177.802 176.300 -0.051 0.000 0.961 307 R CA 0.806 56.751 56.100 -0.258 0.000 1.024 307 R CB -0.228 29.735 30.300 -0.562 0.000 0.940 307 R HN 0.401 nan 8.270 nan 0.000 0.480 308 G N -0.756 108.046 108.800 0.003 0.000 3.233 308 G HA2 0.107 4.069 3.960 0.003 0.000 0.227 308 G HA3 0.107 4.069 3.960 0.003 0.000 0.227 308 G C 0.999 176.071 174.900 0.287 0.000 1.175 308 G CA 0.314 45.501 45.100 0.144 0.000 0.781 308 G HN 0.318 nan 8.290 nan 0.000 0.542 309 A N 0.041 122.977 122.820 0.192 0.000 1.970 309 A HA 0.209 4.531 4.320 0.003 0.000 0.216 309 A C 1.015 178.750 177.584 0.251 0.000 1.170 309 A CA 1.267 53.413 52.037 0.180 0.000 0.645 309 A CB 0.252 19.270 19.000 0.030 0.000 0.816 309 A HN 0.238 nan 8.150 nan 0.000 0.447 310 D N -1.820 118.702 120.400 0.202 0.000 2.826 310 D HA 0.165 4.807 4.640 0.003 0.000 0.239 310 D C 0.599 177.001 176.300 0.171 0.000 1.329 310 D CA -0.365 53.755 54.000 0.200 0.000 0.854 310 D CB -0.108 40.794 40.800 0.169 0.000 1.494 310 D HN 0.168 nan 8.370 nan 0.000 0.540 311 R N 0.946 121.547 120.500 0.169 0.000 2.226 311 R HA -0.151 4.190 4.340 0.003 0.000 0.246 311 R C 1.876 178.280 176.300 0.173 0.000 1.161 311 R CA 1.282 57.473 56.100 0.152 0.000 0.997 311 R CB 0.067 30.446 30.300 0.131 0.000 0.870 311 R HN 0.401 nan 8.270 nan 0.000 0.465 312 M N -0.274 119.421 119.600 0.158 0.000 2.193 312 M HA -0.059 4.422 4.480 0.003 0.000 0.265 312 M C 1.803 178.218 176.300 0.192 0.000 1.071 312 M CA 1.547 56.936 55.300 0.148 0.000 1.140 312 M CB 0.334 32.991 32.600 0.094 0.000 1.369 312 M HN -0.087 nan 8.290 nan 0.000 0.423 313 S N -0.233 115.573 115.700 0.176 0.000 2.481 313 S HA -0.024 4.448 4.470 0.003 0.000 0.231 313 S C 1.638 176.369 174.600 0.219 0.000 0.996 313 S CA 1.125 59.437 58.200 0.186 0.000 0.942 313 S CB -0.142 63.146 63.200 0.147 0.000 0.768 313 S HN 0.468 nan 8.310 nan 0.000 0.520 314 S N 0.933 116.764 115.700 0.218 0.000 2.593 314 S HA 0.233 4.704 4.470 0.003 0.000 0.217 314 S C 0.290 175.039 174.600 0.248 0.000 0.966 314 S CA -0.422 57.908 58.200 0.217 0.000 0.914 314 S CB -0.231 63.075 63.200 0.176 0.000 0.776 314 S HN 0.578 nan 8.310 nan 0.000 0.523 315 F N 2.990 123.022 119.950 0.135 0.000 2.518 315 F HA 0.386 4.915 4.527 0.003 0.000 0.375 315 F C 1.228 177.114 175.800 0.143 0.000 1.097 315 F CA 0.578 58.654 58.000 0.128 0.000 1.108 315 F CB -0.442 38.624 39.000 0.111 0.000 1.078 315 F HN 0.253 nan 8.300 nan 0.000 0.564 316 G N 4.055 112.647 108.800 -0.347 0.000 2.137 316 G HA2 -0.284 3.678 3.960 0.003 0.000 0.237 316 G HA3 -0.284 3.678 3.960 0.003 0.000 0.237 316 G C -0.058 174.862 174.900 0.034 0.000 1.002 316 G CA 0.085 45.044 45.100 -0.235 0.000 0.702 316 G HN 0.989 nan 8.290 nan 0.000 0.515 317 D N -0.644 119.825 120.400 0.115 0.000 2.363 317 D HA 0.400 5.042 4.640 0.003 0.000 0.240 317 D C -0.125 176.300 176.300 0.208 0.000 1.236 317 D CA -0.411 53.717 54.000 0.213 0.000 0.927 317 D CB 0.906 41.861 40.800 0.257 0.000 1.150 317 D HN 0.098 nan 8.370 nan 0.000 0.458 318 F N 0.584 120.637 119.950 0.171 0.000 2.411 318 F HA 0.296 4.825 4.527 0.004 0.000 0.352 318 F C -0.304 175.597 175.800 0.169 0.000 1.123 318 F CA -0.850 57.220 58.000 0.115 0.000 1.044 318 F CB 1.478 40.522 39.000 0.072 0.000 1.135 318 F HN 0.202 nan 8.300 nan 0.000 0.461 319 V N 6.028 125.898 119.914 -0.074 0.000 2.539 319 V HA 0.882 5.004 4.120 0.003 0.000 0.292 319 V C -0.865 175.302 176.094 0.122 0.000 1.045 319 V CA -0.214 62.128 62.300 0.070 0.000 0.945 319 V CB 1.169 32.887 31.823 -0.175 0.000 0.993 319 V HN 0.977 nan 8.190 nan 0.000 0.464 320 A N 7.149 130.087 122.820 0.196 0.000 2.356 320 A HA 0.846 5.168 4.320 0.003 0.000 0.310 320 A C -1.149 176.524 177.584 0.149 0.000 1.075 320 A CA -0.705 51.453 52.037 0.202 0.000 0.746 320 A CB 1.177 20.295 19.000 0.196 0.000 1.221 320 A HN 0.928 nan 8.150 nan 0.000 0.443 321 L N 2.342 123.650 121.223 0.142 0.000 2.362 321 L HA 0.389 4.731 4.340 0.003 0.000 0.275 321 L C 1.366 178.305 176.870 0.114 0.000 0.998 321 L CA -0.554 54.339 54.840 0.088 0.000 0.820 321 L CB 2.261 44.332 42.059 0.020 0.000 1.270 321 L HN 0.906 nan 8.230 nan 0.000 0.415 322 S N -0.644 115.069 115.700 0.023 0.000 2.489 322 S HA 0.041 4.513 4.470 0.003 0.000 0.228 322 S C 0.233 174.859 174.600 0.044 0.000 0.995 322 S CA 0.313 58.490 58.200 -0.039 0.000 0.934 322 S CB -0.117 63.020 63.200 -0.105 0.000 0.771 322 S HN 0.696 nan 8.310 nan 0.000 0.522 323 D N 0.068 120.488 120.400 0.033 0.000 2.497 323 D HA 0.540 5.181 4.640 0.003 0.000 0.243 323 D C -0.834 175.448 176.300 -0.031 0.000 1.039 323 D CA -0.730 53.279 54.000 0.015 0.000 1.052 323 D CB 1.442 42.245 40.800 0.004 0.000 1.344 323 D HN -0.063 nan 8.370 nan 0.000 0.553 324 V N 0.824 120.707 119.914 -0.051 0.000 2.720 324 V HA -0.081 4.040 4.120 0.003 0.000 0.307 324 V C 0.502 176.525 176.094 -0.119 0.000 1.071 324 V CA -0.207 62.025 62.300 -0.113 0.000 1.199 324 V CB 0.551 32.335 31.823 -0.065 0.000 0.900 324 V HN 0.691 nan 8.190 nan 0.000 0.494 325 C N 7.085 126.257 119.300 -0.214 0.000 2.464 325 C HA 0.416 4.878 4.460 0.003 0.000 0.370 325 C C 0.480 175.459 174.990 -0.019 0.000 1.267 325 C CA -0.932 58.019 59.018 -0.112 0.000 1.781 325 C CB -1.372 26.303 27.740 -0.110 0.000 2.431 325 C HN 1.050 nan 8.230 nan 0.000 0.556 326 D N 4.100 124.499 120.400 -0.002 0.000 2.506 326 D HA 0.227 4.869 4.640 0.003 0.000 0.272 326 D C 1.029 177.343 176.300 0.023 0.000 1.214 326 D CA -0.699 53.309 54.000 0.013 0.000 1.067 326 D CB 0.386 41.191 40.800 0.007 0.000 1.117 326 D HN 0.235 nan 8.370 nan 0.000 0.578 327 V N 0.089 120.014 119.914 0.018 0.000 2.261 327 V HA -0.129 3.992 4.120 0.003 0.000 0.246 327 V C -0.882 175.220 176.094 0.013 0.000 1.047 327 V CA 1.986 64.295 62.300 0.015 0.000 1.015 327 V CB -1.514 30.314 31.823 0.008 0.000 0.642 327 V HN 0.567 nan 8.190 nan 0.000 0.446 328 P HA -0.164 nan 4.420 nan 0.000 0.216 328 P C 1.798 179.119 177.300 0.035 0.000 1.154 328 P CA 2.060 65.172 63.100 0.020 0.000 0.865 328 P CB -0.215 31.496 31.700 0.017 0.000 0.789 329 T N -0.665 113.911 114.554 0.037 0.000 2.701 329 T HA -0.131 4.221 4.350 0.003 0.000 0.263 329 T C 1.925 176.633 174.700 0.013 0.000 1.040 329 T CA 1.661 63.786 62.100 0.043 0.000 1.147 329 T CB -1.113 67.769 68.868 0.023 0.000 0.865 329 T HN 0.046 nan 8.240 nan 0.000 0.426 330 A N 1.673 124.496 122.820 0.006 0.000 1.948 330 A HA -0.183 4.139 4.320 0.003 0.000 0.220 330 A C 2.261 179.826 177.584 -0.031 0.000 1.177 330 A CA 1.808 53.837 52.037 -0.014 0.000 0.636 330 A CB -0.513 18.491 19.000 0.007 0.000 0.815 330 A HN 0.464 nan 8.150 nan 0.000 0.449 331 K N -0.691 119.703 120.400 -0.009 0.000 2.097 331 K HA 0.028 4.350 4.320 0.003 0.000 0.205 331 K C 1.787 178.390 176.600 0.004 0.000 1.050 331 K CA 1.283 57.563 56.287 -0.011 0.000 0.938 331 K CB -0.266 32.232 32.500 -0.002 0.000 0.718 331 K HN 0.542 nan 8.250 nan 0.000 0.442 332 I N 0.844 121.438 120.570 0.040 0.000 2.202 332 I HA -0.277 3.894 4.170 0.003 0.000 0.242 332 I C 2.120 178.293 176.117 0.092 0.000 1.091 332 I CA 1.284 62.638 61.300 0.090 0.000 1.368 332 I CB -0.166 37.939 38.000 0.175 0.000 1.058 332 I HN 0.129 nan 8.210 nan 0.000 0.410 333 I N -0.354 120.239 120.570 0.038 0.000 2.252 333 I HA -0.282 3.889 4.170 0.003 0.000 0.245 333 I C 2.761 178.812 176.117 -0.111 0.000 1.102 333 I CA 1.024 62.302 61.300 -0.037 0.000 1.385 333 I CB -0.411 37.485 38.000 -0.174 0.000 1.064 333 I HN 0.184 nan 8.210 nan 0.000 0.414 334 S N 1.608 117.232 115.700 -0.126 0.000 2.368 334 S HA -0.263 4.208 4.470 0.003 0.000 0.226 334 S C 2.047 176.581 174.600 -0.110 0.000 1.044 334 S CA 2.035 60.142 58.200 -0.154 0.000 1.062 334 S CB -0.307 62.829 63.200 -0.107 0.000 0.931 334 S HN 0.518 nan 8.310 nan 0.000 0.440 335 R N 0.208 120.676 120.500 -0.053 0.000 2.319 335 R HA 0.220 4.562 4.340 0.003 0.000 0.204 335 R C -0.167 176.127 176.300 -0.010 0.000 0.954 335 R CA 0.228 56.310 56.100 -0.030 0.000 1.066 335 R CB -0.057 30.235 30.300 -0.014 0.000 0.991 335 R HN 0.302 nan 8.270 nan 0.000 0.486 336 E N 1.170 121.362 120.200 -0.013 0.000 2.221 336 E HA 0.224 4.576 4.350 0.003 0.000 0.268 336 E C -0.723 175.860 176.600 -0.028 0.000 0.933 336 E CA -1.094 55.319 56.400 0.020 0.000 0.809 336 E CB 2.651 32.404 29.700 0.089 0.000 1.190 336 E HN -0.114 nan 8.360 nan 0.000 0.406 337 V N 1.972 121.869 119.914 -0.028 0.000 2.370 337 V HA 0.148 4.270 4.120 0.003 0.000 0.257 337 V C 0.410 176.403 176.094 -0.169 0.000 1.064 337 V CA 0.132 62.339 62.300 -0.155 0.000 0.975 337 V CB 0.294 31.918 31.823 -0.332 0.000 1.067 337 V HN 0.472 nan 8.190 nan 0.000 0.485 338 S N 2.559 118.210 115.700 -0.081 0.000 2.548 338 S HA 0.445 4.916 4.470 0.003 0.000 0.286 338 S C 0.351 175.039 174.600 0.147 0.000 1.098 338 S CA -0.702 57.519 58.200 0.035 0.000 0.930 338 S CB 2.043 65.297 63.200 0.090 0.000 1.070 338 S HN 0.726 nan 8.310 nan 0.000 0.480 339 D N 1.911 122.349 120.400 0.063 0.000 2.327 339 D HA 0.298 4.939 4.640 0.003 0.000 0.205 339 D C 0.757 176.871 176.300 -0.311 0.000 0.989 339 D CA 0.831 54.837 54.000 0.010 0.000 0.873 339 D CB 0.786 41.627 40.800 0.069 0.000 0.955 339 D HN 0.738 nan 8.370 nan 0.000 0.515 340 G N 0.169 108.526 108.800 -0.739 0.000 2.356 340 G HA2 0.440 4.402 3.960 0.003 0.000 0.294 340 G HA3 0.440 4.402 3.960 0.003 0.000 0.294 340 G C -1.982 171.915 174.900 -1.673 0.000 1.423 340 G CA -0.699 43.462 45.100 -1.564 0.000 0.806 340 G HN 0.057 nan 8.290 nan 0.000 0.527 341 I N -0.147 119.703 120.570 -1.200 0.000 2.802 341 I HA 0.808 4.979 4.170 0.003 0.000 0.298 341 I C -1.543 174.550 176.117 -0.041 0.000 1.176 341 I CA -1.400 59.597 61.300 -0.505 0.000 1.025 341 I CB 2.158 40.121 38.000 -0.061 0.000 1.243 341 I HN 0.663 nan 8.210 nan 0.000 0.424 342 I N 6.796 127.479 120.570 0.187 0.000 2.498 342 I HA 0.854 5.026 4.170 0.003 0.000 0.290 342 I C -1.116 175.094 176.117 0.155 0.000 1.032 342 I CA -0.093 61.347 61.300 0.234 0.000 1.073 342 I CB 1.574 39.739 38.000 0.275 0.000 1.251 342 I HN 0.735 nan 8.210 nan 0.000 0.426 343 A N 7.523 130.351 122.820 0.013 0.000 2.610 343 A HA 0.707 5.029 4.320 0.003 0.000 0.291 343 A C -2.638 174.807 177.584 -0.231 0.000 1.086 343 A CA -0.962 51.008 52.037 -0.112 0.000 0.677 343 A CB 1.297 20.029 19.000 -0.447 0.000 1.278 343 A HN 0.487 nan 8.150 nan 0.000 0.414 344 P HA 0.154 nan 4.420 nan 0.000 0.226 344 P C 0.721 177.938 177.300 -0.137 0.000 1.153 344 P CA 1.711 64.748 63.100 -0.105 0.000 0.777 344 P CB 0.328 32.080 31.700 0.088 0.000 0.794 345 G N -1.553 107.088 108.800 -0.264 0.000 2.355 345 G HA2 0.409 4.371 3.960 0.003 0.000 0.296 345 G HA3 0.409 4.371 3.960 0.003 0.000 0.296 345 G C -2.314 172.331 174.900 -0.425 0.000 1.507 345 G CA -0.721 44.265 45.100 -0.190 0.000 0.823 345 G HN -0.130 nan 8.290 nan 0.000 0.569 346 Y N 0.073 120.366 120.300 -0.013 0.000 2.462 346 Y HA 0.594 5.146 4.550 0.003 0.000 0.346 346 Y C 0.539 176.434 175.900 -0.007 0.000 0.976 346 Y CA -0.855 57.239 58.100 -0.009 0.000 1.044 346 Y CB 2.178 40.629 38.460 -0.014 0.000 1.230 346 Y HN 0.602 nan 8.280 nan 0.000 0.455 347 E N 1.517 121.788 120.200 0.120 0.000 2.383 347 E HA 0.030 4.382 4.350 0.003 0.000 0.264 347 E C 0.625 177.274 176.600 0.081 0.000 1.050 347 E CA -0.055 56.388 56.400 0.072 0.000 0.896 347 E CB 0.785 30.510 29.700 0.042 0.000 0.982 347 E HN 0.778 nan 8.360 nan 0.000 0.424 348 E N 1.913 122.142 120.200 0.050 0.000 2.086 348 E HA -0.319 4.033 4.350 0.003 0.000 0.200 348 E C 1.593 178.208 176.600 0.024 0.000 1.012 348 E CA 1.576 57.995 56.400 0.033 0.000 0.812 348 E CB 0.132 29.843 29.700 0.019 0.000 0.743 348 E HN 0.539 nan 8.360 nan 0.000 0.453 349 E N -0.395 119.818 120.200 0.022 0.000 2.106 349 E HA -0.147 4.204 4.350 0.003 0.000 0.192 349 E C 1.931 178.541 176.600 0.017 0.000 0.984 349 E CA 0.751 57.158 56.400 0.012 0.000 0.806 349 E CB -0.013 29.692 29.700 0.008 0.000 0.750 349 E HN 0.247 nan 8.360 nan 0.000 0.458 350 A N 0.899 123.744 122.820 0.041 0.000 1.933 350 A HA -0.159 4.163 4.320 0.003 0.000 0.218 350 A C 2.082 179.698 177.584 0.052 0.000 1.175 350 A CA 1.027 53.100 52.037 0.060 0.000 0.628 350 A CB -0.552 18.514 19.000 0.109 0.000 0.814 350 A HN 0.351 nan 8.150 nan 0.000 0.444 351 L N 0.127 121.379 121.223 0.048 0.000 2.017 351 L HA -0.131 4.210 4.340 0.003 0.000 0.208 351 L C 2.485 179.319 176.870 -0.061 0.000 1.073 351 L CA 2.884 57.695 54.840 -0.047 0.000 0.745 351 L CB -1.058 40.974 42.059 -0.045 0.000 0.894 351 L HN 0.412 nan 8.230 nan 0.000 0.432 352 T N -0.502 114.032 114.554 -0.033 0.000 2.833 352 T HA -0.125 4.227 4.350 0.003 0.000 0.269 352 T C 2.010 176.685 174.700 -0.041 0.000 1.054 352 T CA 1.782 63.861 62.100 -0.036 0.000 1.135 352 T CB -0.344 68.510 68.868 -0.023 0.000 0.869 352 T HN 0.316 nan 8.240 nan 0.000 0.466 353 I N 0.465 121.011 120.570 -0.040 0.000 2.233 353 I HA -0.066 4.106 4.170 0.003 0.000 0.243 353 I C 2.283 178.346 176.117 -0.090 0.000 1.093 353 I CA 1.102 62.368 61.300 -0.055 0.000 1.380 353 I CB -0.292 37.681 38.000 -0.046 0.000 1.067 353 I HN 0.175 nan 8.210 nan 0.000 0.413 354 L N -0.021 121.149 121.223 -0.087 0.000 2.027 354 L HA -0.178 4.164 4.340 0.003 0.000 0.206 354 L C 2.625 179.456 176.870 -0.065 0.000 1.074 354 L CA 1.214 55.980 54.840 -0.124 0.000 0.745 354 L CB -0.618 41.422 42.059 -0.032 0.000 0.898 354 L HN 0.171 nan 8.230 nan 0.000 0.433 355 S N -0.326 115.348 115.700 -0.043 0.000 2.440 355 S HA -0.188 4.283 4.470 0.003 0.000 0.240 355 S C 1.797 176.386 174.600 -0.018 0.000 1.014 355 S CA 1.223 59.410 58.200 -0.022 0.000 0.980 355 S CB -0.212 62.956 63.200 -0.052 0.000 0.775 355 S HN 0.382 nan 8.310 nan 0.000 0.499 356 K N 0.760 121.131 120.400 -0.049 0.000 2.361 356 K HA 0.112 4.434 4.320 0.003 0.000 0.196 356 K C 0.438 177.001 176.600 -0.061 0.000 1.039 356 K CA 0.273 56.532 56.287 -0.048 0.000 1.001 356 K CB 0.162 32.631 32.500 -0.051 0.000 0.795 356 K HN 0.319 nan 8.250 nan 0.000 0.495 357 K N 1.258 121.590 120.400 -0.114 0.000 2.286 357 K HA -0.005 4.317 4.320 0.003 0.000 0.256 357 K C -0.112 176.469 176.600 -0.032 0.000 0.999 357 K CA 0.286 56.479 56.287 -0.155 0.000 0.908 357 K CB 0.261 32.492 32.500 -0.448 0.000 0.981 357 K HN -0.093 nan 8.250 nan 0.000 0.500 358 K N 2.104 122.490 120.400 -0.023 0.000 3.311 358 K HA -0.337 3.985 4.320 0.003 0.000 0.270 358 K C -0.314 176.302 176.600 0.025 0.000 0.927 358 K CA 0.600 56.902 56.287 0.026 0.000 0.706 358 K CB -1.242 31.308 32.500 0.084 0.000 1.418 358 K HN 0.745 nan 8.250 nan 0.000 0.459 359 N N -1.214 117.490 118.700 0.006 0.000 2.753 359 N HA -0.209 4.533 4.740 0.003 0.000 0.251 359 N C 0.524 176.037 175.510 0.006 0.000 1.097 359 N CA 2.124 55.177 53.050 0.005 0.000 0.786 359 N CB -1.143 37.351 38.487 0.012 0.000 1.137 359 N HN 0.997 nan 8.380 nan 0.000 0.566 360 G N -1.093 107.713 108.800 0.009 0.000 2.131 360 G HA2 -0.274 3.688 3.960 0.003 0.000 0.223 360 G HA3 -0.274 3.688 3.960 0.003 0.000 0.223 360 G C 0.527 175.438 174.900 0.019 0.000 0.990 360 G CA 0.389 45.494 45.100 0.009 0.000 0.671 360 G HN 0.504 nan 8.290 nan 0.000 0.521 361 N N -0.829 117.895 118.700 0.039 0.000 2.184 361 N HA 0.107 4.849 4.740 0.003 0.000 0.206 361 N C 0.493 176.034 175.510 0.051 0.000 1.151 361 N CA -0.338 52.730 53.050 0.029 0.000 0.878 361 N CB 0.498 38.999 38.487 0.023 0.000 1.014 361 N HN 0.503 nan 8.380 nan 0.000 0.512 362 Y N 2.228 122.490 120.300 -0.064 0.000 2.810 362 Y HA -0.105 4.447 4.550 0.003 0.000 0.332 362 Y C 0.522 176.366 175.900 -0.093 0.000 1.243 362 Y CA -0.393 57.657 58.100 -0.084 0.000 1.537 362 Y CB 0.327 38.724 38.460 -0.104 0.000 1.265 362 Y HN 0.044 nan 8.280 nan 0.000 0.572 363 C N 8.078 127.042 119.300 -0.559 0.000 2.540 363 C HA 0.460 4.922 4.460 0.003 0.000 0.377 363 C C -0.494 174.166 174.990 -0.551 0.000 1.274 363 C CA -0.654 58.106 59.018 -0.429 0.000 1.718 363 C CB -2.205 25.394 27.740 -0.236 0.000 2.391 363 C HN 0.595 nan 8.230 nan 0.000 0.565 364 V N 8.920 128.653 119.914 -0.301 0.000 2.349 364 V HA 0.387 4.509 4.120 0.003 0.000 0.284 364 V C -0.095 175.901 176.094 -0.163 0.000 1.014 364 V CA -0.243 61.891 62.300 -0.276 0.000 0.826 364 V CB 1.038 32.645 31.823 -0.361 0.000 1.009 364 V HN 0.694 nan 8.190 nan 0.000 0.431 365 L N 4.399 125.608 121.223 -0.023 0.000 2.322 365 L HA 0.616 4.958 4.340 0.003 0.000 0.281 365 L C -0.121 176.809 176.870 0.101 0.000 1.014 365 L CA -0.392 54.456 54.840 0.013 0.000 0.815 365 L CB 1.860 43.931 42.059 0.020 0.000 1.247 365 L HN 0.581 nan 8.230 nan 0.000 0.421 366 Q N 3.173 122.999 119.800 0.043 0.000 2.290 366 Q HA 0.496 4.837 4.340 0.003 0.000 0.259 366 Q C -1.087 174.797 176.000 -0.193 0.000 0.941 366 Q CA -0.878 54.946 55.803 0.035 0.000 0.912 366 Q CB 2.041 30.831 28.738 0.087 0.000 1.244 366 Q HN 0.547 nan 8.270 nan 0.000 0.441 367 M N 3.850 123.214 119.600 -0.392 0.000 2.268 367 M HA 0.237 4.718 4.480 0.003 0.000 0.344 367 M C -1.062 174.932 176.300 -0.510 0.000 1.106 367 M CA -0.506 54.413 55.300 -0.635 0.000 1.010 367 M CB 1.412 33.225 32.600 -1.312 0.000 1.649 367 M HN 0.452 nan 8.290 nan 0.000 0.443 368 D N 3.196 123.394 120.400 -0.336 0.000 2.363 368 D HA -0.021 4.620 4.640 0.003 0.000 0.263 368 D C 0.538 176.806 176.300 -0.052 0.000 1.258 368 D CA 0.543 54.458 54.000 -0.141 0.000 0.907 368 D CB 0.839 41.601 40.800 -0.064 0.000 1.107 368 D HN 0.880 nan 8.370 nan 0.000 0.495 369 Q N 2.424 122.243 119.800 0.031 0.000 2.226 369 Q HA -0.167 4.174 4.340 0.003 0.000 0.204 369 Q C 1.436 177.580 176.000 0.239 0.000 0.975 369 Q CA 1.395 57.345 55.803 0.245 0.000 0.866 369 Q CB 0.127 28.997 28.738 0.220 0.000 0.915 369 Q HN 0.472 nan 8.270 nan 0.000 0.440 370 S N -1.044 114.749 115.700 0.155 0.000 2.605 370 S HA 0.010 4.482 4.470 0.003 0.000 0.217 370 S C 0.033 174.713 174.600 0.134 0.000 0.958 370 S CA -0.796 57.477 58.200 0.123 0.000 0.919 370 S CB -0.168 63.078 63.200 0.075 0.000 0.780 370 S HN 0.432 nan 8.310 nan 0.000 0.507 371 Y N 2.813 123.146 120.300 0.054 0.000 2.359 371 Y HA 0.476 5.027 4.550 0.002 0.000 0.330 371 Y C -0.167 175.771 175.900 0.064 0.000 1.143 371 Y CA -0.160 57.962 58.100 0.037 0.000 1.318 371 Y CB 0.521 38.984 38.460 0.005 0.000 1.234 371 Y HN 0.070 nan 8.280 nan 0.000 0.522 372 K N 8.250 128.179 120.400 -0.784 0.000 2.471 372 K HA 0.351 4.672 4.320 0.003 0.000 0.252 372 K C -2.661 173.424 176.600 -0.858 0.000 0.938 372 K CA -1.981 53.937 56.287 -0.616 0.000 0.796 372 K CB 1.727 34.074 32.500 -0.256 0.000 1.161 372 K HN 0.541 nan 8.250 nan 0.000 0.425 373 P HA 0.083 nan 4.420 nan 0.000 0.274 373 P C -0.722 176.499 177.300 -0.132 0.000 1.231 373 P CA -0.293 62.652 63.100 -0.258 0.000 0.790 373 P CB 0.773 32.472 31.700 -0.002 0.000 0.951 374 D N 0.832 121.197 120.400 -0.060 0.000 2.362 374 D HA -0.020 4.622 4.640 0.003 0.000 0.242 374 D C 1.212 177.502 176.300 -0.016 0.000 1.132 374 D CA 0.074 54.052 54.000 -0.035 0.000 0.907 374 D CB 1.072 41.866 40.800 -0.011 0.000 1.195 374 D HN 0.498 nan 8.370 nan 0.000 0.429 375 E N 0.830 121.020 120.200 -0.016 0.000 2.153 375 E HA -0.117 4.235 4.350 0.003 0.000 0.194 375 E C 0.026 176.630 176.600 0.006 0.000 0.988 375 E CA 0.595 56.991 56.400 -0.006 0.000 0.811 375 E CB 0.304 29.997 29.700 -0.011 0.000 0.746 375 E HN 0.313 nan 8.360 nan 0.000 0.466 376 N N 1.422 120.125 118.700 0.006 0.000 2.518 376 N HA 0.080 4.822 4.740 0.003 0.000 0.283 376 N C -0.815 174.708 175.510 0.021 0.000 1.119 376 N CA 0.098 53.156 53.050 0.013 0.000 0.983 376 N CB 1.486 39.978 38.487 0.008 0.000 1.139 376 N HN 0.213 nan 8.380 nan 0.000 0.465 377 E N -0.515 119.703 120.200 0.029 0.000 2.308 377 E HA 0.565 4.917 4.350 0.003 0.000 0.275 377 E C -1.644 174.982 176.600 0.043 0.000 0.890 377 E CA -0.922 55.500 56.400 0.037 0.000 0.754 377 E CB 1.819 31.550 29.700 0.051 0.000 1.207 377 E HN 0.151 nan 8.360 nan 0.000 0.426 378 V N 2.561 122.501 119.914 0.043 0.000 2.962 378 V HA 0.778 4.900 4.120 0.003 0.000 0.313 378 V C -1.393 174.751 176.094 0.084 0.000 1.099 378 V CA -0.622 61.715 62.300 0.062 0.000 0.971 378 V CB 1.899 33.746 31.823 0.040 0.000 1.028 378 V HN 0.903 nan 8.190 nan 0.000 0.430 379 R N 2.011 122.583 120.500 0.119 0.000 2.740 379 R HA 0.689 5.031 4.340 0.003 0.000 0.273 379 R C -1.519 174.881 176.300 0.166 0.000 0.998 379 R CA -0.670 55.507 56.100 0.129 0.000 0.900 379 R CB 1.938 32.298 30.300 0.100 0.000 1.223 379 R HN 0.501 nan 8.270 nan 0.000 0.466 380 T N 3.145 117.788 114.554 0.149 0.000 2.743 380 T HA 0.380 4.732 4.350 0.003 0.000 0.292 380 T C -1.042 173.686 174.700 0.048 0.000 0.972 380 T CA -0.536 61.615 62.100 0.085 0.000 0.967 380 T CB 0.779 69.705 68.868 0.096 0.000 0.926 380 T HN 0.411 nan 8.240 nan 0.000 0.459 381 L N 5.193 126.430 121.223 0.022 0.000 2.372 381 L HA 0.582 4.924 4.340 0.003 0.000 0.274 381 L C -0.138 176.814 176.870 0.136 0.000 0.988 381 L CA -0.786 54.095 54.840 0.069 0.000 0.833 381 L CB 0.524 42.621 42.059 0.062 0.000 1.236 381 L HN 0.664 nan 8.230 nan 0.000 0.410 382 F N 5.812 125.731 119.950 -0.050 0.000 3.048 382 F HA -0.137 4.394 4.527 0.005 0.000 0.269 382 F C 1.289 177.045 175.800 -0.073 0.000 0.960 382 F CA 1.574 59.544 58.000 -0.050 0.000 0.909 382 F CB -1.085 37.890 39.000 -0.040 0.000 0.837 382 F HN 1.054 nan 8.300 nan 0.000 0.768 383 G N -0.482 108.257 108.800 -0.103 0.000 2.320 383 G HA2 -0.333 3.629 3.960 0.003 0.000 0.242 383 G HA3 -0.333 3.629 3.960 0.003 0.000 0.242 383 G C 0.470 175.169 174.900 -0.334 0.000 1.033 383 G CA 0.156 45.115 45.100 -0.235 0.000 0.620 383 G HN 0.721 nan 8.290 nan 0.000 0.517 384 L N 1.170 122.237 121.223 -0.260 0.000 2.439 384 L HA 0.586 4.928 4.340 0.003 0.000 0.259 384 L C 0.440 177.085 176.870 -0.375 0.000 1.129 384 L CA -1.087 53.586 54.840 -0.280 0.000 0.803 384 L CB 0.680 42.686 42.059 -0.087 0.000 1.161 384 L HN 0.107 nan 8.230 nan 0.000 0.462 385 H N 2.352 121.440 119.070 0.031 0.000 2.511 385 H HA 0.445 5.000 4.556 -0.002 0.000 0.328 385 H C -0.742 174.608 175.328 0.037 0.000 1.044 385 H CA -0.459 55.611 56.048 0.036 0.000 1.212 385 H CB 1.765 31.546 29.762 0.031 0.000 1.428 385 H HN 0.315 nan 8.280 nan 0.000 0.483 386 L N 2.475 123.788 121.223 0.150 0.000 2.287 386 L HA 0.274 4.616 4.340 0.003 0.000 0.287 386 L C 0.466 177.394 176.870 0.098 0.000 1.022 386 L CA -0.370 54.532 54.840 0.102 0.000 0.814 386 L CB 1.535 43.641 42.059 0.078 0.000 1.217 386 L HN 0.420 nan 8.230 nan 0.000 0.420 387 S N 3.667 119.414 115.700 0.078 0.000 2.568 387 S HA 0.835 5.307 4.470 0.003 0.000 0.302 387 S C -0.971 173.659 174.600 0.050 0.000 1.082 387 S CA -0.389 57.846 58.200 0.060 0.000 1.009 387 S CB 1.758 64.986 63.200 0.047 0.000 1.069 387 S HN 0.712 nan 8.310 nan 0.000 0.500 388 Q N -0.454 119.372 119.800 0.043 0.000 2.900 388 Q HA 0.561 4.902 4.340 0.003 0.000 0.297 388 Q C -1.429 174.591 176.000 0.033 0.000 0.889 388 Q CA -1.275 54.551 55.803 0.039 0.000 0.777 388 Q CB 0.202 28.970 28.738 0.049 0.000 1.518 388 Q HN 0.695 nan 8.270 nan 0.000 0.430 389 K N 1.379 121.794 120.400 0.026 0.000 2.249 389 K HA 0.463 4.785 4.320 0.003 0.000 0.280 389 K C 0.030 176.646 176.600 0.027 0.000 1.033 389 K CA -0.017 56.281 56.287 0.019 0.000 0.946 389 K CB 0.417 32.922 32.500 0.008 0.000 1.005 389 K HN 0.740 nan 8.250 nan 0.000 0.469 390 R N 1.066 121.584 120.500 0.030 0.000 2.863 390 R HA 0.068 4.410 4.340 0.003 0.000 0.273 390 R C -0.147 176.168 176.300 0.025 0.000 1.057 390 R CA -0.629 55.496 56.100 0.043 0.000 1.191 390 R CB 0.366 30.697 30.300 0.052 0.000 1.104 390 R HN 0.609 nan 8.270 nan 0.000 0.519 391 N N 1.122 119.835 118.700 0.022 0.000 2.402 391 N HA 0.004 4.746 4.740 0.003 0.000 0.259 391 N C -0.960 174.531 175.510 -0.031 0.000 1.167 391 N CA -0.040 52.996 53.050 -0.025 0.000 0.949 391 N CB 0.243 38.684 38.487 -0.077 0.000 1.212 391 N HN 0.514 nan 8.380 nan 0.000 0.493 392 N N 1.500 120.184 118.700 -0.027 0.000 2.275 392 N HA 0.123 4.865 4.740 0.003 0.000 0.236 392 N C 0.356 175.843 175.510 -0.037 0.000 1.154 392 N CA -0.213 52.825 53.050 -0.020 0.000 0.866 392 N CB 0.615 39.095 38.487 -0.012 0.000 1.093 392 N HN 0.501 nan 8.380 nan 0.000 0.515 393 G N 0.470 109.233 108.800 -0.062 0.000 2.353 393 G HA2 0.219 4.181 3.960 0.003 0.000 0.239 393 G HA3 0.219 4.181 3.960 0.003 0.000 0.239 393 G C 0.173 175.034 174.900 -0.065 0.000 1.295 393 G CA 0.018 45.073 45.100 -0.074 0.000 0.884 393 G HN -0.015 nan 8.290 nan 0.000 0.537 394 V N 2.631 122.509 119.914 -0.061 0.000 2.481 394 V HA 0.457 4.579 4.120 0.003 0.000 0.286 394 V C 0.374 176.433 176.094 -0.059 0.000 1.042 394 V CA -0.622 61.651 62.300 -0.045 0.000 0.928 394 V CB 1.447 33.249 31.823 -0.036 0.000 0.986 394 V HN 0.733 nan 8.190 nan 0.000 0.462 395 V N 4.379 124.279 119.914 -0.024 0.000 2.444 395 V HA 0.880 5.001 4.120 0.003 0.000 0.294 395 V C -0.934 175.201 176.094 0.069 0.000 1.022 395 V CA -0.205 62.090 62.300 -0.008 0.000 0.850 395 V CB 1.412 33.253 31.823 0.029 0.000 0.992 395 V HN 1.058 nan 8.190 nan 0.000 0.426 396 D N 4.561 125.017 120.400 0.092 0.000 2.895 396 D HA 0.550 5.192 4.640 0.003 0.000 0.320 396 D C 0.870 177.328 176.300 0.263 0.000 1.249 396 D CA 0.051 54.132 54.000 0.135 0.000 0.997 396 D CB 1.105 41.938 40.800 0.056 0.000 1.430 396 D HN 0.516 nan 8.370 nan 0.000 0.558 397 K N -0.293 120.217 120.400 0.183 0.000 2.365 397 K HA 0.054 4.376 4.320 0.003 0.000 0.199 397 K C 1.917 178.633 176.600 0.194 0.000 1.045 397 K CA 1.584 57.999 56.287 0.214 0.000 0.962 397 K CB -0.889 31.660 32.500 0.082 0.000 0.759 397 K HN 0.314 nan 8.250 nan 0.000 0.469 398 S N 0.217 115.974 115.700 0.096 0.000 2.387 398 S HA -0.078 4.394 4.470 0.003 0.000 0.226 398 S C 2.007 176.594 174.600 -0.021 0.000 1.026 398 S CA 1.124 59.344 58.200 0.033 0.000 0.972 398 S CB -0.277 62.923 63.200 0.001 0.000 0.814 398 S HN 0.514 nan 8.310 nan 0.000 0.477 399 L N 0.580 121.734 121.223 -0.115 0.000 2.189 399 L HA 0.029 4.370 4.340 0.003 0.000 0.214 399 L C 1.315 177.886 176.870 -0.499 0.000 1.097 399 L CA 1.879 56.498 54.840 -0.369 0.000 0.764 399 L CB -0.579 41.120 42.059 -0.601 0.000 0.900 399 L HN 0.408 nan 8.230 nan 0.000 0.436 400 F N -1.561 118.381 119.950 -0.014 0.000 2.746 400 F HA 0.104 4.633 4.527 0.004 0.000 0.297 400 F C 2.491 178.286 175.800 -0.009 0.000 1.113 400 F CA 0.538 58.532 58.000 -0.010 0.000 1.367 400 F CB -0.834 38.154 39.000 -0.021 0.000 1.111 400 F HN 0.155 nan 8.300 nan 0.000 0.590 401 S N -0.132 115.641 115.700 0.121 0.000 2.440 401 S HA -0.273 4.198 4.470 0.003 0.000 0.240 401 S C 1.109 175.738 174.600 0.049 0.000 1.014 401 S CA 1.190 59.434 58.200 0.072 0.000 0.980 401 S CB -0.911 62.312 63.200 0.038 0.000 0.775 401 S HN 0.385 nan 8.310 nan 0.000 0.499 402 N N 1.711 120.435 118.700 0.040 0.000 2.968 402 N HA 0.261 5.003 4.740 0.003 0.000 0.271 402 N C -1.074 174.461 175.510 0.042 0.000 1.174 402 N CA -0.213 52.857 53.050 0.033 0.000 1.096 402 N CB 0.230 38.732 38.487 0.024 0.000 1.403 402 N HN 0.171 nan 8.380 nan 0.000 0.522 403 V N 2.658 122.594 119.914 0.035 0.000 2.488 403 V HA 0.057 4.178 4.120 0.003 0.000 0.277 403 V C 1.464 177.553 176.094 -0.008 0.000 1.046 403 V CA -0.375 61.938 62.300 0.022 0.000 0.986 403 V CB 1.136 32.976 31.823 0.029 0.000 0.989 403 V HN 0.485 nan 8.190 nan 0.000 0.475 404 V N 1.459 121.343 119.914 -0.049 0.000 3.660 404 V HA 0.152 4.274 4.120 0.003 0.000 0.276 404 V C 0.941 176.999 176.094 -0.061 0.000 1.317 404 V CA 0.544 62.804 62.300 -0.066 0.000 1.097 404 V CB -0.223 31.525 31.823 -0.125 0.000 0.863 404 V HN 0.849 nan 8.190 nan 0.000 0.438 405 T N -0.782 113.739 114.554 -0.054 0.000 2.828 405 T HA 0.298 4.649 4.350 0.003 0.000 0.290 405 T C 0.379 175.066 174.700 -0.023 0.000 1.019 405 T CA -0.553 61.523 62.100 -0.040 0.000 1.031 405 T CB 0.804 69.651 68.868 -0.034 0.000 1.001 405 T HN 0.377 nan 8.240 nan 0.000 0.531 406 K N 1.771 122.158 120.400 -0.020 0.000 3.077 406 K HA 0.087 4.409 4.320 0.003 0.000 0.269 406 K C 0.308 176.903 176.600 -0.008 0.000 0.973 406 K CA -0.040 56.239 56.287 -0.013 0.000 1.162 406 K CB -0.523 31.968 32.500 -0.014 0.000 1.079 406 K HN 0.475 nan 8.250 nan 0.000 0.456 407 N N 1.047 119.744 118.700 -0.004 0.000 3.049 407 N HA 0.023 4.765 4.740 0.003 0.000 0.241 407 N C -0.244 175.275 175.510 0.015 0.000 1.323 407 N CA -0.277 52.776 53.050 0.005 0.000 0.824 407 N CB 0.727 39.217 38.487 0.006 0.000 1.557 407 N HN -0.174 nan 8.380 nan 0.000 0.612 408 K N 0.705 121.113 120.400 0.013 0.000 2.487 408 K HA 0.098 4.419 4.320 0.003 0.000 0.192 408 K C -0.513 176.100 176.600 0.021 0.000 1.027 408 K CA 0.062 56.360 56.287 0.017 0.000 1.054 408 K CB -0.043 32.464 32.500 0.011 0.000 0.824 408 K HN 0.427 nan 8.250 nan 0.000 0.510 409 D N 1.850 122.265 120.400 0.026 0.000 2.542 409 D HA -0.024 4.617 4.640 0.003 0.000 0.242 409 D C -0.602 175.719 176.300 0.034 0.000 1.207 409 D CA 0.187 54.203 54.000 0.026 0.000 1.172 409 D CB -0.283 40.536 40.800 0.032 0.000 1.126 409 D HN -0.112 nan 8.370 nan 0.000 0.500 410 L N 3.660 124.877 121.223 -0.011 0.000 2.259 410 L HA 0.359 4.701 4.340 0.003 0.000 0.288 410 L C -2.126 174.647 176.870 -0.162 0.000 1.051 410 L CA -1.927 52.858 54.840 -0.092 0.000 0.824 410 L CB 0.607 42.611 42.059 -0.091 0.000 1.206 410 L HN 0.084 nan 8.230 nan 0.000 0.429 411 P HA 0.058 nan 4.420 nan 0.000 0.267 411 P C 0.444 177.606 177.300 -0.231 0.000 1.200 411 P CA -0.188 62.792 63.100 -0.199 0.000 0.772 411 P CB 0.671 32.247 31.700 -0.206 0.000 0.855 412 E N 0.886 120.997 120.200 -0.148 0.000 2.077 412 E HA -0.143 4.209 4.350 0.003 0.000 0.193 412 E C 1.793 178.295 176.600 -0.164 0.000 0.989 412 E CA 1.901 58.219 56.400 -0.137 0.000 0.800 412 E CB -0.679 28.971 29.700 -0.084 0.000 0.746 412 E HN 0.570 nan 8.360 nan 0.000 0.452 413 S N 0.407 116.018 115.700 -0.148 0.000 2.469 413 S HA 0.008 4.479 4.470 0.003 0.000 0.238 413 S C 1.983 176.458 174.600 -0.209 0.000 0.998 413 S CA 0.911 59.030 58.200 -0.135 0.000 0.957 413 S CB 0.013 63.165 63.200 -0.080 0.000 0.764 413 S HN 0.263 nan 8.310 nan 0.000 0.514 414 A N 1.455 124.061 122.820 -0.358 0.000 1.943 414 A HA 0.346 4.668 4.320 0.003 0.000 0.213 414 A C 2.023 179.327 177.584 -0.467 0.000 1.181 414 A CA 0.695 52.395 52.037 -0.561 0.000 0.653 414 A CB -0.668 17.543 19.000 -1.315 0.000 0.833 414 A HN 0.451 nan 8.150 nan 0.000 0.451 415 L N 0.307 121.281 121.223 -0.415 0.000 2.079 415 L HA -0.109 4.232 4.340 0.003 0.000 0.210 415 L C 2.361 178.986 176.870 -0.407 0.000 1.081 415 L CA 2.236 56.812 54.840 -0.440 0.000 0.752 415 L CB -0.551 41.335 42.059 -0.287 0.000 0.896 415 L HN 0.466 nan 8.230 nan 0.000 0.433 416 R N -0.761 119.579 120.500 -0.266 0.000 2.092 416 R HA -0.133 4.208 4.340 0.003 0.000 0.231 416 R C 1.485 177.683 176.300 -0.171 0.000 1.119 416 R CA 1.603 57.593 56.100 -0.182 0.000 0.970 416 R CB -0.211 30.017 30.300 -0.120 0.000 0.864 416 R HN 0.418 nan 8.270 nan 0.000 0.440 417 D N 0.411 120.699 120.400 -0.186 0.000 2.317 417 D HA -0.071 4.571 4.640 0.003 0.000 0.211 417 D C 1.817 178.027 176.300 -0.149 0.000 0.966 417 D CA 0.651 54.572 54.000 -0.132 0.000 0.876 417 D CB 0.129 40.873 40.800 -0.093 0.000 0.927 417 D HN 0.296 nan 8.370 nan 0.000 0.519 418 L N 0.106 121.158 121.223 -0.285 0.000 2.209 418 L HA 0.055 4.397 4.340 0.003 0.000 0.207 418 L C 2.327 179.080 176.870 -0.195 0.000 1.094 418 L CA 0.389 55.032 54.840 -0.329 0.000 0.790 418 L CB -0.016 41.565 42.059 -0.797 0.000 0.932 418 L HN -0.047 nan 8.230 nan 0.000 0.447 419 I N -1.032 119.393 120.570 -0.243 0.000 2.315 419 I HA -0.217 3.955 4.170 0.003 0.000 0.248 419 I C 2.393 178.535 176.117 0.041 0.000 1.117 419 I CA 0.812 62.117 61.300 0.009 0.000 1.404 419 I CB -0.189 37.799 38.000 -0.021 0.000 1.071 419 I HN 0.002 nan 8.210 nan 0.000 0.419 420 V N 1.121 121.028 119.914 -0.011 0.000 2.307 420 V HA -0.265 3.857 4.120 0.003 0.000 0.245 420 V C 2.710 178.824 176.094 0.033 0.000 1.045 420 V CA 2.058 64.364 62.300 0.010 0.000 1.024 420 V CB -0.920 30.894 31.823 -0.015 0.000 0.651 420 V HN 0.484 nan 8.190 nan 0.000 0.449 421 A N -0.486 122.347 122.820 0.021 0.000 1.969 421 A HA -0.173 4.149 4.320 0.003 0.000 0.218 421 A C 2.346 179.971 177.584 0.069 0.000 1.169 421 A CA 2.261 54.320 52.037 0.037 0.000 0.635 421 A CB -0.706 18.304 19.000 0.017 0.000 0.810 421 A HN 0.523 nan 8.150 nan 0.000 0.445 422 T N -0.118 114.503 114.554 0.111 0.000 2.896 422 T HA 0.073 4.425 4.350 0.003 0.000 0.263 422 T C 1.751 176.495 174.700 0.074 0.000 1.050 422 T CA 1.088 63.256 62.100 0.113 0.000 1.140 422 T CB -0.255 68.741 68.868 0.214 0.000 0.877 422 T HN 0.402 nan 8.240 nan 0.000 0.457 423 I N 1.347 121.979 120.570 0.103 0.000 2.394 423 I HA -0.111 4.061 4.170 0.003 0.000 0.251 423 I C 2.842 179.072 176.117 0.188 0.000 1.136 423 I CA 0.771 62.150 61.300 0.132 0.000 1.425 423 I CB -0.370 37.712 38.000 0.136 0.000 1.079 423 I HN 0.198 nan 8.210 nan 0.000 0.425 424 A N 0.267 123.171 122.820 0.139 0.000 1.855 424 A HA -0.172 4.149 4.320 0.003 0.000 0.215 424 A C 2.450 180.107 177.584 0.122 0.000 1.191 424 A CA 1.547 53.674 52.037 0.149 0.000 0.613 424 A CB -1.117 17.935 19.000 0.087 0.000 0.829 424 A HN 0.215 nan 8.150 nan 0.000 0.442 425 V N 0.445 120.398 119.914 0.065 0.000 2.688 425 V HA -0.254 3.868 4.120 0.003 0.000 0.256 425 V C 2.467 178.547 176.094 -0.024 0.000 1.084 425 V CA 2.569 64.888 62.300 0.032 0.000 1.103 425 V CB -0.566 31.268 31.823 0.019 0.000 0.688 425 V HN 0.697 nan 8.190 nan 0.000 0.480 426 K N -1.008 119.336 120.400 -0.092 0.000 2.148 426 K HA -0.150 4.172 4.320 0.003 0.000 0.204 426 K C 1.143 177.379 176.600 -0.606 0.000 1.050 426 K CA 1.655 57.738 56.287 -0.341 0.000 0.942 426 K CB -0.119 32.112 32.500 -0.449 0.000 0.724 426 K HN 0.603 nan 8.250 nan 0.000 0.446 427 Y N 0.483 120.734 120.300 -0.082 0.000 2.658 427 Y HA 0.208 4.760 4.550 0.003 0.000 0.276 427 Y C -0.244 175.782 175.900 0.210 0.000 1.167 427 Y CA -0.255 57.807 58.100 -0.063 0.000 1.230 427 Y CB 0.886 39.425 38.460 0.131 0.000 1.144 427 Y HN -0.181 nan 8.280 nan 0.000 0.529 428 T N 1.449 116.131 114.554 0.214 0.000 2.824 428 T HA 0.241 4.592 4.350 0.003 0.000 0.280 428 T C -0.138 174.676 174.700 0.190 0.000 0.995 428 T CA -0.887 61.325 62.100 0.186 0.000 1.009 428 T CB 1.143 70.064 68.868 0.089 0.000 0.955 428 T HN -0.065 nan 8.240 nan 0.000 0.452 429 Q N 1.936 121.826 119.800 0.150 0.000 2.330 429 Q HA 0.233 4.575 4.340 0.003 0.000 0.279 429 Q C 0.156 176.146 176.000 -0.018 0.000 1.024 429 Q CA 0.167 55.997 55.803 0.044 0.000 0.900 429 Q CB 0.503 29.288 28.738 0.077 0.000 1.221 429 Q HN 0.626 nan 8.270 nan 0.000 0.396 430 S N 2.325 117.906 115.700 -0.198 0.000 2.601 430 S HA 0.264 4.736 4.470 0.003 0.000 0.271 430 S C 0.434 175.024 174.600 -0.016 0.000 1.305 430 S CA -0.814 57.290 58.200 -0.159 0.000 1.022 430 S CB 0.684 63.641 63.200 -0.405 0.000 0.940 430 S HN 0.440 nan 8.310 nan 0.000 0.525 431 N N 1.761 120.455 118.700 -0.009 0.000 2.415 431 N HA 0.281 5.023 4.740 0.003 0.000 0.248 431 N C -0.367 175.168 175.510 0.041 0.000 1.271 431 N CA 0.191 53.241 53.050 0.001 0.000 0.913 431 N CB 0.852 39.357 38.487 0.029 0.000 1.129 431 N HN 0.745 nan 8.380 nan 0.000 0.444 432 S N -0.955 114.778 115.700 0.055 0.000 2.533 432 S HA 0.658 5.130 4.470 0.003 0.000 0.271 432 S C -0.960 173.677 174.600 0.061 0.000 1.143 432 S CA -0.833 57.405 58.200 0.065 0.000 0.891 432 S CB 1.458 64.691 63.200 0.056 0.000 1.105 432 S HN 0.192 nan 8.310 nan 0.000 0.468 433 V N 0.966 120.936 119.914 0.092 0.000 2.888 433 V HA 0.744 4.866 4.120 0.003 0.000 0.309 433 V C -0.782 175.383 176.094 0.119 0.000 1.114 433 V CA -0.681 61.677 62.300 0.096 0.000 0.940 433 V CB 1.696 33.616 31.823 0.162 0.000 1.021 433 V HN 1.288 nan 8.190 nan 0.000 0.426 434 C N 4.919 124.259 119.300 0.067 0.000 2.609 434 C HA 0.796 5.258 4.460 0.003 0.000 0.313 434 C C -1.325 173.689 174.990 0.040 0.000 1.175 434 C CA -0.541 58.540 59.018 0.105 0.000 1.434 434 C CB 0.864 28.645 27.740 0.069 0.000 2.005 434 C HN 0.785 nan 8.230 nan 0.000 0.471 435 Y N 3.412 123.706 120.300 -0.009 0.000 2.342 435 Y HA 0.687 5.239 4.550 0.003 0.000 0.334 435 Y C 0.615 176.459 175.900 -0.093 0.000 1.067 435 Y CA 0.045 58.120 58.100 -0.041 0.000 1.128 435 Y CB 1.673 40.099 38.460 -0.058 0.000 1.200 435 Y HN 1.004 nan 8.280 nan 0.000 0.464 436 A N 3.533 126.370 122.820 0.029 0.000 2.549 436 A HA 0.827 5.149 4.320 0.003 0.000 0.297 436 A C -1.368 176.170 177.584 -0.076 0.000 1.061 436 A CA -0.889 51.112 52.037 -0.059 0.000 0.690 436 A CB 2.054 21.027 19.000 -0.044 0.000 1.287 436 A HN 0.664 nan 8.150 nan 0.000 0.402 437 K N 1.150 121.472 120.400 -0.130 0.000 2.557 437 K HA 0.382 4.704 4.320 0.003 0.000 0.257 437 K C -0.516 176.058 176.600 -0.043 0.000 0.933 437 K CA -0.409 55.829 56.287 -0.081 0.000 0.820 437 K CB 1.321 33.768 32.500 -0.089 0.000 1.330 437 K HN 0.980 nan 8.250 nan 0.000 0.432 438 N N 2.332 121.034 118.700 0.004 0.000 2.696 438 N HA -0.218 4.523 4.740 0.003 0.000 0.256 438 N C 0.318 175.845 175.510 0.028 0.000 1.031 438 N CA 0.787 53.861 53.050 0.040 0.000 0.730 438 N CB -0.742 37.813 38.487 0.114 0.000 0.894 438 N HN 1.042 nan 8.380 nan 0.000 0.544 439 G N 0.072 108.869 108.800 -0.005 0.000 2.187 439 G HA2 -0.339 3.623 3.960 0.003 0.000 0.261 439 G HA3 -0.339 3.623 3.960 0.003 0.000 0.261 439 G C -0.211 174.686 174.900 -0.005 0.000 1.000 439 G CA 1.284 46.381 45.100 -0.005 0.000 0.718 439 G HN 0.907 nan 8.290 nan 0.000 0.519 440 Q N -1.506 118.275 119.800 -0.032 0.000 2.456 440 Q HA 0.700 5.041 4.340 0.003 0.000 0.284 440 Q C -0.776 175.152 176.000 -0.119 0.000 1.061 440 Q CA -1.154 54.618 55.803 -0.052 0.000 0.799 440 Q CB 2.008 30.729 28.738 -0.030 0.000 1.445 440 Q HN 0.319 nan 8.270 nan 0.000 0.411 441 V N 3.566 123.418 119.914 -0.102 0.000 2.555 441 V HA 0.148 4.269 4.120 0.003 0.000 0.286 441 V C 0.859 176.796 176.094 -0.261 0.000 1.044 441 V CA 0.076 62.306 62.300 -0.116 0.000 1.026 441 V CB 0.716 32.511 31.823 -0.046 0.000 0.981 441 V HN 0.828 nan 8.190 nan 0.000 0.480 442 I N 1.302 121.674 120.570 -0.329 0.000 4.240 442 I HA 0.688 4.860 4.170 0.003 0.000 0.331 442 I C 0.622 176.599 176.117 -0.233 0.000 1.381 442 I CA -0.032 60.914 61.300 -0.590 0.000 1.136 442 I CB 0.822 38.199 38.000 -1.038 0.000 1.137 442 I HN 0.621 nan 8.210 nan 0.000 0.411 443 G N 2.070 110.824 108.800 -0.077 0.000 2.682 443 G HA2 0.566 4.527 3.960 0.003 0.000 0.300 443 G HA3 0.566 4.527 3.960 0.003 0.000 0.300 443 G C -2.068 172.894 174.900 0.104 0.000 1.396 443 G CA -0.364 44.738 45.100 0.002 0.000 1.104 443 G HN 0.075 nan 8.290 nan 0.000 0.587 444 I N 1.891 122.513 120.570 0.086 0.000 2.534 444 I HA 0.731 4.903 4.170 0.003 0.000 0.286 444 I C 0.100 176.275 176.117 0.097 0.000 1.094 444 I CA -0.498 60.861 61.300 0.099 0.000 1.055 444 I CB 1.951 39.981 38.000 0.050 0.000 1.225 444 I HN 0.707 nan 8.210 nan 0.000 0.435 445 G N 6.129 115.003 108.800 0.122 0.000 2.335 445 G HA2 0.799 4.761 3.960 0.003 0.000 0.316 445 G HA3 0.799 4.761 3.960 0.003 0.000 0.316 445 G C -1.131 173.826 174.900 0.094 0.000 1.129 445 G CA -0.213 44.954 45.100 0.112 0.000 0.899 445 G HN 0.913 nan 8.290 nan 0.000 0.448 446 A N 1.171 124.038 122.820 0.079 0.000 2.454 446 A HA 0.850 5.172 4.320 0.003 0.000 0.302 446 A C 0.902 178.526 177.584 0.067 0.000 1.079 446 A CA 0.085 52.164 52.037 0.070 0.000 0.731 446 A CB 1.307 20.345 19.000 0.064 0.000 1.299 446 A HN 2.439 nan 8.150 nan 0.000 0.413 447 G N 0.448 109.287 108.800 0.065 0.000 2.203 447 G HA2 -0.188 3.774 3.960 0.003 0.000 0.263 447 G HA3 -0.188 3.774 3.960 0.003 0.000 0.263 447 G C 0.065 175.003 174.900 0.063 0.000 1.012 447 G CA 0.565 45.705 45.100 0.067 0.000 0.749 447 G HN 0.777 nan 8.290 nan 0.000 0.512 448 Q N -0.927 118.918 119.800 0.075 0.000 2.260 448 Q HA 0.472 4.813 4.340 0.003 0.000 0.242 448 Q C 1.114 177.169 176.000 0.092 0.000 0.932 448 Q CA -0.435 55.428 55.803 0.100 0.000 0.891 448 Q CB 0.887 29.718 28.738 0.156 0.000 1.222 448 Q HN 0.348 nan 8.270 nan 0.000 0.453 449 Q N 0.125 119.996 119.800 0.118 0.000 2.482 449 Q HA 0.064 4.406 4.340 0.003 0.000 0.209 449 Q C 0.064 176.112 176.000 0.080 0.000 0.961 449 Q CA 0.152 56.004 55.803 0.082 0.000 0.945 449 Q CB 0.475 29.267 28.738 0.090 0.000 1.012 449 Q HN 0.521 nan 8.270 nan 0.000 0.515 450 S N -1.569 114.198 115.700 0.111 0.000 2.533 450 S HA 0.512 4.984 4.470 0.003 0.000 0.271 450 S C 0.129 174.767 174.600 0.063 0.000 1.143 450 S CA -0.890 57.328 58.200 0.031 0.000 0.891 450 S CB 1.624 64.738 63.200 -0.144 0.000 1.105 450 S HN 0.017 nan 8.310 nan 0.000 0.468 451 R N 2.268 122.807 120.500 0.065 0.000 2.097 451 R HA -0.052 4.290 4.340 0.003 0.000 0.236 451 R C 2.014 178.415 176.300 0.169 0.000 1.135 451 R CA 2.530 58.702 56.100 0.120 0.000 0.934 451 R CB -1.230 29.151 30.300 0.136 0.000 0.846 451 R HN 0.803 nan 8.270 nan 0.000 0.431 452 I N 0.521 121.167 120.570 0.127 0.000 2.248 452 I HA -0.285 3.887 4.170 0.003 0.000 0.248 452 I C 1.614 177.819 176.117 0.147 0.000 1.107 452 I CA 1.812 63.182 61.300 0.117 0.000 1.373 452 I CB -0.494 37.533 38.000 0.044 0.000 1.055 452 I HN 0.316 nan 8.210 nan 0.000 0.418 453 H N -0.443 118.696 119.070 0.114 0.000 2.421 453 H HA -0.127 4.431 4.556 0.003 0.000 0.298 453 H C 2.495 177.886 175.328 0.105 0.000 1.087 453 H CA 1.581 57.684 56.048 0.092 0.000 1.330 453 H CB -0.932 28.873 29.762 0.073 0.000 1.388 453 H HN 0.419 nan 8.280 nan 0.000 0.526 454 C N 0.279 119.726 119.300 0.245 0.000 2.442 454 C HA -0.141 4.320 4.460 0.003 0.000 0.279 454 C C 2.887 178.019 174.990 0.238 0.000 1.237 454 C CA 1.625 60.768 59.018 0.208 0.000 1.722 454 C CB -0.904 26.948 27.740 0.186 0.000 2.056 454 C HN 0.614 nan 8.230 nan 0.000 0.469 455 T N 0.724 115.434 114.554 0.260 0.000 2.620 455 T HA -0.269 4.083 4.350 0.003 0.000 0.267 455 T C 1.864 176.713 174.700 0.248 0.000 1.044 455 T CA 1.744 64.020 62.100 0.293 0.000 1.161 455 T CB -0.366 68.630 68.868 0.214 0.000 0.862 455 T HN 0.558 nan 8.240 nan 0.000 0.438 456 R N 0.306 120.913 120.500 0.178 0.000 2.070 456 R HA 0.068 4.410 4.340 0.003 0.000 0.233 456 R C 2.629 178.973 176.300 0.072 0.000 1.137 456 R CA 1.254 57.424 56.100 0.115 0.000 0.945 456 R CB -0.701 29.680 30.300 0.134 0.000 0.845 456 R HN 0.317 nan 8.270 nan 0.000 0.430 457 L N 0.373 121.658 121.223 0.102 0.000 2.046 457 L HA -0.166 4.175 4.340 0.003 0.000 0.208 457 L C 2.348 179.245 176.870 0.044 0.000 1.077 457 L CA 1.523 56.407 54.840 0.073 0.000 0.747 457 L CB -0.281 41.831 42.059 0.089 0.000 0.896 457 L HN 0.239 nan 8.230 nan 0.000 0.432 458 A N -0.411 122.458 122.820 0.082 0.000 1.897 458 A HA -0.059 4.263 4.320 0.003 0.000 0.215 458 A C 2.297 179.679 177.584 -0.336 0.000 1.181 458 A CA 1.240 53.302 52.037 0.040 0.000 0.620 458 A CB -1.351 17.841 19.000 0.320 0.000 0.821 458 A HN 0.504 nan 8.150 nan 0.000 0.443 459 G N -0.126 108.415 108.800 -0.430 0.000 2.442 459 G HA2 -0.263 3.699 3.960 0.003 0.000 0.219 459 G HA3 -0.263 3.699 3.960 0.003 0.000 0.219 459 G C 1.140 175.765 174.900 -0.459 0.000 1.141 459 G CA 1.278 45.935 45.100 -0.737 0.000 0.763 459 G HN 0.480 nan 8.290 nan 0.000 0.554 460 D N 0.414 120.622 120.400 -0.320 0.000 2.149 460 D HA -0.016 4.626 4.640 0.003 0.000 0.201 460 D C 2.418 178.385 176.300 -0.555 0.000 0.972 460 D CA 0.642 54.350 54.000 -0.487 0.000 0.835 460 D CB -0.116 40.475 40.800 -0.347 0.000 0.966 460 D HN 0.275 nan 8.370 nan 0.000 0.476 461 K N 0.778 121.070 120.400 -0.180 0.000 2.147 461 K HA -0.066 4.255 4.320 0.003 0.000 0.205 461 K C 2.064 178.688 176.600 0.041 0.000 1.049 461 K CA 0.926 57.249 56.287 0.060 0.000 0.936 461 K CB 0.039 32.592 32.500 0.088 0.000 0.722 461 K HN 0.003 nan 8.250 nan 0.000 0.446 462 A N 1.964 124.692 122.820 -0.154 0.000 1.873 462 A HA -0.172 4.150 4.320 0.003 0.000 0.215 462 A C 1.767 179.427 177.584 0.126 0.000 1.186 462 A CA 1.502 53.489 52.037 -0.084 0.000 0.616 462 A CB -0.415 18.331 19.000 -0.423 0.000 0.823 462 A HN 0.229 nan 8.150 nan 0.000 0.442 463 N N -0.755 117.906 118.700 -0.064 0.000 2.166 463 N HA -0.150 4.592 4.740 0.003 0.000 0.186 463 N C 1.546 177.207 175.510 0.252 0.000 1.019 463 N CA 1.688 54.777 53.050 0.064 0.000 0.856 463 N CB -0.656 37.750 38.487 -0.134 0.000 0.993 463 N HN 0.759 nan 8.380 nan 0.000 0.426 464 Y N -1.247 119.213 120.300 0.267 0.000 2.242 464 Y HA -0.192 4.360 4.550 0.003 0.000 0.291 464 Y C 2.373 178.483 175.900 0.350 0.000 1.137 464 Y CA 0.337 58.591 58.100 0.257 0.000 1.181 464 Y CB -0.333 38.240 38.460 0.188 0.000 0.989 464 Y HN 0.139 nan 8.280 nan 0.000 0.527 465 W N 0.660 122.184 121.300 0.374 0.000 2.333 465 W HA -0.284 4.378 4.660 0.003 0.000 0.316 465 W C 2.493 179.337 176.519 0.542 0.000 1.215 465 W CA 1.553 59.125 57.345 0.378 0.000 1.278 465 W CB -0.864 28.770 29.460 0.290 0.000 1.154 465 W HN 0.284 nan 8.180 nan 0.000 0.486 466 W N 0.694 122.199 121.300 0.341 0.000 2.333 466 W HA -0.289 4.372 4.660 0.003 0.000 0.316 466 W C 2.073 178.860 176.519 0.446 0.000 1.215 466 W CA 1.709 59.138 57.345 0.140 0.000 1.278 466 W CB -0.793 28.772 29.460 0.176 0.000 1.154 466 W HN -0.123 nan 8.180 nan 0.000 0.486 467 L N 0.703 122.198 121.223 0.452 0.000 2.129 467 L HA -0.263 4.079 4.340 0.003 0.000 0.212 467 L C 2.615 179.544 176.870 0.099 0.000 1.087 467 L CA 1.525 56.538 54.840 0.289 0.000 0.757 467 L CB -0.682 41.558 42.059 0.301 0.000 0.896 467 L HN -0.019 nan 8.230 nan 0.000 0.434 468 R N -1.356 119.227 120.500 0.138 0.000 2.293 468 R HA -0.144 4.198 4.340 0.003 0.000 0.219 468 R C 1.627 177.847 176.300 -0.133 0.000 1.091 468 R CA 0.665 56.781 56.100 0.026 0.000 1.004 468 R CB -0.225 30.093 30.300 0.029 0.000 0.865 468 R HN 0.434 nan 8.270 nan 0.000 0.469 469 H N -1.549 117.381 119.070 -0.233 0.000 2.548 469 H HA 0.048 4.606 4.556 0.003 0.000 0.265 469 H C 0.266 175.375 175.328 -0.366 0.000 0.969 469 H CA 0.087 55.955 56.048 -0.299 0.000 1.155 469 H CB -0.012 29.477 29.762 -0.454 0.000 1.394 469 H HN 0.092 nan 8.280 nan 0.000 0.570 470 H N 1.735 120.432 119.070 -0.620 0.000 3.034 470 H HA -0.059 4.498 4.556 0.003 0.000 0.324 470 H C -1.588 173.342 175.328 -0.662 0.000 1.015 470 H CA -1.325 53.985 56.048 -1.229 0.000 1.429 470 H CB 1.112 30.173 29.762 -1.168 0.000 1.429 470 H HN 0.149 nan 8.280 nan 0.000 0.585 471 P HA -0.234 nan 4.420 nan 0.000 0.220 471 P C 1.171 178.395 177.300 -0.127 0.000 1.155 471 P CA 1.954 64.838 63.100 -0.360 0.000 0.880 471 P CB 0.187 31.647 31.700 -0.400 0.000 0.790 472 Q N -1.351 118.495 119.800 0.076 0.000 2.297 472 Q HA -0.052 4.290 4.340 0.003 0.000 0.204 472 Q C 1.826 177.817 176.000 -0.015 0.000 0.962 472 Q CA 0.852 56.687 55.803 0.053 0.000 0.879 472 Q CB -0.276 28.515 28.738 0.089 0.000 0.947 472 Q HN 0.176 nan 8.270 nan 0.000 0.462 473 V N 0.419 120.327 119.914 -0.010 0.000 2.951 473 V HA -0.091 4.031 4.120 0.003 0.000 0.255 473 V C 1.625 177.690 176.094 -0.048 0.000 1.088 473 V CA 0.982 63.263 62.300 -0.032 0.000 1.109 473 V CB -0.056 31.777 31.823 0.017 0.000 0.724 473 V HN 0.339 nan 8.190 nan 0.000 0.471 474 L N 0.489 121.657 121.223 -0.091 0.000 2.592 474 L HA 0.092 4.434 4.340 0.003 0.000 0.227 474 L C 1.821 178.640 176.870 -0.084 0.000 1.127 474 L CA 0.778 55.550 54.840 -0.114 0.000 0.884 474 L CB -0.085 41.876 42.059 -0.164 0.000 1.065 474 L HN 0.468 nan 8.230 nan 0.000 0.457 475 S N -2.198 113.472 115.700 -0.049 0.000 2.559 475 S HA 0.268 4.739 4.470 0.003 0.000 0.226 475 S C 0.688 175.300 174.600 0.020 0.000 1.000 475 S CA -0.529 57.654 58.200 -0.030 0.000 0.948 475 S CB 0.044 63.221 63.200 -0.039 0.000 0.870 475 S HN 0.143 nan 8.310 nan 0.000 0.497 476 M N 2.476 122.119 119.600 0.071 0.000 2.251 476 M HA 0.306 4.788 4.480 0.003 0.000 0.343 476 M C 0.253 176.713 176.300 0.266 0.000 1.245 476 M CA 0.657 56.080 55.300 0.205 0.000 1.061 476 M CB 0.016 32.869 32.600 0.421 0.000 1.723 476 M HN 0.349 nan 8.290 nan 0.000 0.449 477 K N 4.070 124.615 120.400 0.241 0.000 2.579 477 K HA 0.572 4.894 4.320 0.003 0.000 0.250 477 K C -1.264 175.455 176.600 0.198 0.000 0.952 477 K CA -0.585 55.833 56.287 0.219 0.000 0.857 477 K CB 0.700 33.249 32.500 0.081 0.000 1.123 477 K HN 0.432 nan 8.250 nan 0.000 0.433 478 F N 1.089 120.929 119.950 -0.184 0.000 2.181 478 F HA 0.703 5.232 4.527 0.003 0.000 0.285 478 F C 1.527 177.236 175.800 -0.151 0.000 1.134 478 F CA -0.177 57.669 58.000 -0.256 0.000 1.139 478 F CB 0.948 39.743 39.000 -0.341 0.000 1.614 478 F HN 0.487 nan 8.300 nan 0.000 0.519 479 K N -1.109 119.320 120.400 0.048 0.000 3.050 479 K HA 0.551 4.873 4.320 0.003 0.000 0.185 479 K C 0.062 176.661 176.600 -0.001 0.000 1.147 479 K CA 0.059 56.350 56.287 0.007 0.000 0.916 479 K CB -0.379 32.107 32.500 -0.023 0.000 1.119 479 K HN 1.282 nan 8.250 nan 0.000 0.605 480 T N -1.245 113.309 114.554 0.001 0.000 6.387 480 T HA -0.062 4.290 4.350 0.003 0.000 0.290 480 T C 1.105 175.798 174.700 -0.011 0.000 1.901 480 T CA 2.014 64.108 62.100 -0.010 0.000 3.035 480 T CB -1.793 67.068 68.868 -0.011 0.000 1.917 480 T HN 1.976 nan 8.240 nan 0.000 1.121 481 G N -0.528 108.270 108.800 -0.004 0.000 3.405 481 G HA2 0.834 4.795 3.960 0.003 0.000 0.318 481 G HA3 0.834 4.795 3.960 0.003 0.000 0.318 481 G C 0.014 174.918 174.900 0.008 0.000 1.597 481 G CA 0.569 45.666 45.100 -0.005 0.000 1.022 481 G HN 1.550 nan 8.290 nan 0.000 0.506 486 E N 0.127 120.342 120.200 0.025 0.000 2.499 486 E HA 0.618 4.970 4.350 0.003 0.000 0.199 486 E C 1.034 177.674 176.600 0.067 0.000 1.016 486 E CA 0.433 56.863 56.400 0.051 0.000 0.933 486 E CB -0.558 29.173 29.700 0.050 0.000 1.050 486 E HN 0.614 nan 8.360 nan 0.000 0.462 487 I N -0.243 120.324 120.570 -0.005 0.000 3.228 487 I HA -0.047 4.124 4.170 0.003 0.000 0.279 487 I C 1.962 178.093 176.117 0.023 0.000 1.221 487 I CA 0.552 61.818 61.300 -0.057 0.000 1.458 487 I CB 0.528 38.199 38.000 -0.548 0.000 1.105 487 I HN 0.190 nan 8.210 nan 0.000 0.445 488 S N 0.875 116.594 115.700 0.032 0.000 2.489 488 S HA -0.007 4.465 4.470 0.003 0.000 0.228 488 S C 1.621 176.295 174.600 0.123 0.000 0.995 488 S CA 0.672 58.916 58.200 0.073 0.000 0.934 488 S CB -0.150 63.094 63.200 0.073 0.000 0.771 488 S HN 0.472 nan 8.310 nan 0.000 0.522 489 N N 1.732 120.516 118.700 0.141 0.000 2.305 489 N HA 0.127 4.868 4.740 0.003 0.000 0.179 489 N C 1.998 177.670 175.510 0.271 0.000 1.019 489 N CA 0.985 54.130 53.050 0.158 0.000 0.869 489 N CB -0.447 38.113 38.487 0.122 0.000 1.000 489 N HN 0.349 nan 8.380 nan 0.000 0.431 490 A N 2.133 125.182 122.820 0.381 0.000 1.883 490 A HA -0.106 4.215 4.320 0.003 0.000 0.217 490 A C 2.304 180.329 177.584 0.735 0.000 1.186 490 A CA 1.090 53.563 52.037 0.726 0.000 0.624 490 A CB -0.797 18.505 19.000 0.502 0.000 0.822 490 A HN 0.159 nan 8.150 nan 0.000 0.444 491 I N -0.094 120.786 120.570 0.516 0.000 2.142 491 I HA -0.250 3.921 4.170 0.003 0.000 0.240 491 I C 2.830 179.133 176.117 0.310 0.000 1.078 491 I CA 1.734 63.284 61.300 0.416 0.000 1.343 491 I CB -0.940 37.221 38.000 0.268 0.000 1.046 491 I HN 0.549 nan 8.210 nan 0.000 0.405 492 D N 0.040 120.566 120.400 0.211 0.000 2.182 492 D HA -0.242 4.400 4.640 0.003 0.000 0.201 492 D C 2.050 178.374 176.300 0.040 0.000 0.986 492 D CA 1.514 55.576 54.000 0.105 0.000 0.847 492 D CB -0.554 40.293 40.800 0.079 0.000 0.942 492 D HN 0.542 nan 8.370 nan 0.000 0.467 493 Q N -2.109 117.748 119.800 0.095 0.000 2.187 493 Q HA 0.005 4.347 4.340 0.003 0.000 0.199 493 Q C 2.072 178.020 176.000 -0.086 0.000 0.957 493 Q CA 0.930 56.717 55.803 -0.028 0.000 0.857 493 Q CB -0.138 28.580 28.738 -0.034 0.000 0.929 493 Q HN 0.787 nan 8.270 nan 0.000 0.453 494 Y N 1.274 121.524 120.300 -0.084 0.000 2.089 494 Y HA -0.249 4.302 4.550 0.003 0.000 0.282 494 Y C 2.212 178.039 175.900 -0.120 0.000 1.139 494 Y CA 1.735 59.758 58.100 -0.128 0.000 1.123 494 Y CB -0.318 38.213 38.460 0.118 0.000 0.980 494 Y HN 0.013 nan 8.280 nan 0.000 0.493 495 V N -1.911 118.004 119.914 0.001 0.000 2.667 495 V HA -0.112 4.010 4.120 0.003 0.000 0.252 495 V C 1.834 177.857 176.094 -0.118 0.000 1.065 495 V CA 2.156 64.415 62.300 -0.068 0.000 1.083 495 V CB -1.541 30.349 31.823 0.113 0.000 0.692 495 V HN 0.600 nan 8.190 nan 0.000 0.468 496 T N -2.542 111.864 114.554 -0.247 0.000 3.107 496 T HA 0.357 4.709 4.350 0.003 0.000 0.249 496 T C 1.500 176.059 174.700 -0.236 0.000 1.096 496 T CA 0.506 62.354 62.100 -0.420 0.000 1.012 496 T CB -0.391 68.070 68.868 -0.679 0.000 0.977 496 T HN 1.716 nan 8.240 nan 0.000 0.527 497 G N 2.274 110.933 108.800 -0.234 0.000 2.371 497 G HA2 -0.224 3.738 3.960 0.003 0.000 0.299 497 G HA3 -0.224 3.738 3.960 0.003 0.000 0.299 497 G C 0.324 175.104 174.900 -0.200 0.000 1.014 497 G CA 0.466 45.426 45.100 -0.233 0.000 1.097 497 G HN 1.262 nan 8.290 nan 0.000 0.512 498 T N -2.830 111.597 114.554 -0.212 0.000 3.633 498 T HA 0.552 4.904 4.350 0.003 0.000 0.278 498 T C 1.735 176.320 174.700 -0.190 0.000 0.991 498 T CA 0.144 62.143 62.100 -0.169 0.000 1.036 498 T CB 0.014 68.804 68.868 -0.130 0.000 1.148 498 T HN 0.265 nan 8.240 nan 0.000 0.501 499 I N 1.368 121.765 120.570 -0.290 0.000 2.141 499 I HA 0.368 4.540 4.170 0.003 0.000 0.236 499 I C 1.546 177.544 176.117 -0.199 0.000 1.071 499 I CA 1.116 62.195 61.300 -0.368 0.000 1.345 499 I CB -0.380 37.189 38.000 -0.719 0.000 1.066 499 I HN 0.696 nan 8.210 nan 0.000 0.406 500 G N 0.382 109.079 108.800 -0.172 0.000 2.368 500 G HA2 0.067 4.028 3.960 0.003 0.000 0.303 500 G HA3 0.067 4.028 3.960 0.003 0.000 0.303 500 G C -0.000 174.849 174.900 -0.084 0.000 1.590 500 G CA -0.038 45.008 45.100 -0.090 0.000 0.938 500 G HN 0.339 nan 8.290 nan 0.000 0.675 501 E N -0.434 119.732 120.200 -0.056 0.000 2.166 501 E HA 0.079 4.431 4.350 0.003 0.000 0.192 501 E C 0.184 176.767 176.600 -0.029 0.000 0.967 501 E CA 1.022 57.393 56.400 -0.049 0.000 0.840 501 E CB 0.451 30.126 29.700 -0.043 0.000 0.795 501 E HN 0.374 nan 8.360 nan 0.000 0.470 502 D N 0.323 120.714 120.400 -0.016 0.000 3.203 502 D HA 0.021 4.663 4.640 0.003 0.000 0.249 502 D C 2.120 178.426 176.300 0.011 0.000 1.522 502 D CA 1.123 55.121 54.000 -0.003 0.000 1.248 502 D CB -0.369 40.428 40.800 -0.004 0.000 1.126 502 D HN 0.252 nan 8.370 nan 0.000 0.326 503 E N 1.541 121.749 120.200 0.014 0.000 2.014 503 E HA -0.108 4.243 4.350 0.003 0.000 0.190 503 E C 1.920 178.548 176.600 0.047 0.000 0.980 503 E CA 2.152 58.568 56.400 0.027 0.000 0.807 503 E CB -1.829 27.884 29.700 0.021 0.000 0.770 503 E HN 0.335 nan 8.360 nan 0.000 0.451 504 D N -0.003 120.422 120.400 0.042 0.000 2.192 504 D HA -0.072 4.569 4.640 0.003 0.000 0.189 504 D C 2.310 178.685 176.300 0.125 0.000 1.007 504 D CA 3.688 57.729 54.000 0.069 0.000 0.859 504 D CB -1.461 39.356 40.800 0.030 0.000 0.936 504 D HN 1.137 nan 8.370 nan 0.000 0.447 505 L N -0.297 120.974 121.223 0.080 0.000 2.450 505 L HA 0.355 4.697 4.340 0.003 0.000 0.224 505 L C 3.163 180.143 176.870 0.183 0.000 1.149 505 L CA 2.886 57.801 54.840 0.126 0.000 0.816 505 L CB -1.832 40.242 42.059 0.026 0.000 0.932 505 L HN 0.946 nan 8.230 nan 0.000 0.449 506 I N -1.006 119.638 120.570 0.123 0.000 2.385 506 I HA 0.182 4.354 4.170 0.003 0.000 0.244 506 I C 2.920 179.098 176.117 0.103 0.000 1.089 506 I CA 2.196 63.552 61.300 0.093 0.000 1.410 506 I CB -1.494 36.538 38.000 0.054 0.000 1.117 506 I HN 0.544 nan 8.210 nan 0.000 0.429 507 K N -0.573 119.894 120.400 0.112 0.000 2.097 507 K HA -0.246 4.075 4.320 0.003 0.000 0.206 507 K C 2.017 178.704 176.600 0.146 0.000 1.049 507 K CA 1.667 58.014 56.287 0.101 0.000 0.933 507 K CB -1.647 30.911 32.500 0.096 0.000 0.717 507 K HN 0.878 nan 8.250 nan 0.000 0.442 508 W N 1.540 122.861 121.300 0.036 0.000 2.329 508 W HA -0.181 4.481 4.660 0.003 0.000 0.324 508 W C 2.077 178.662 176.519 0.110 0.000 1.222 508 W CA 2.338 59.729 57.345 0.078 0.000 1.270 508 W CB -0.028 29.465 29.460 0.056 0.000 1.167 508 W HN 0.269 nan 8.180 nan 0.000 0.467 509 K N -0.068 120.385 120.400 0.088 0.000 2.173 509 K HA -0.237 4.085 4.320 0.003 0.000 0.207 509 K C 2.121 178.619 176.600 -0.170 0.000 1.046 509 K CA 1.470 57.643 56.287 -0.189 0.000 0.929 509 K CB -0.650 31.843 32.500 -0.012 0.000 0.720 509 K HN 0.283 nan 8.250 nan 0.000 0.453 510 A N 1.720 124.491 122.820 -0.083 0.000 1.858 510 A HA -0.144 4.178 4.320 0.003 0.000 0.216 510 A C 2.774 180.272 177.584 -0.145 0.000 1.190 510 A CA 2.008 53.996 52.037 -0.081 0.000 0.617 510 A CB -1.294 17.686 19.000 -0.034 0.000 0.827 510 A HN 0.257 nan 8.150 nan 0.000 0.443 511 L N -1.334 119.774 121.223 -0.192 0.000 2.064 511 L HA -0.044 4.297 4.340 0.003 0.000 0.216 511 L C 2.007 178.521 176.870 -0.593 0.000 1.077 511 L CA 2.222 56.866 54.840 -0.326 0.000 0.766 511 L CB -2.000 39.831 42.059 -0.380 0.000 0.890 511 L HN 0.386 nan 8.230 nan 0.000 0.435 512 F N -0.620 118.877 119.950 -0.755 0.000 2.110 512 F HA 0.501 5.030 4.527 0.003 0.000 0.267 512 F C 1.793 177.329 175.800 -0.441 0.000 1.141 512 F CA 0.778 58.273 58.000 -0.843 0.000 1.197 512 F CB -0.027 38.413 39.000 -0.933 0.000 1.674 512 F HN 0.210 nan 8.300 nan 0.000 0.512 513 E N -1.578 118.538 120.200 -0.140 0.000 2.641 513 E HA 0.346 4.697 4.350 0.003 0.000 0.201 513 E C 0.715 177.280 176.600 -0.059 0.000 0.921 513 E CA 0.620 56.969 56.400 -0.084 0.000 1.551 513 E CB -0.334 29.336 29.700 -0.051 0.000 1.640 513 E HN 0.539 nan 8.360 nan 0.000 0.906 514 E N -0.641 119.525 120.200 -0.056 0.000 2.676 514 E HA 0.700 5.052 4.350 0.003 0.000 0.222 514 E C 1.248 177.790 176.600 -0.098 0.000 0.968 514 E CA 0.707 57.073 56.400 -0.057 0.000 1.090 514 E CB -0.265 29.414 29.700 -0.034 0.000 1.066 514 E HN 1.977 nan 8.360 nan 0.000 0.496 515 V N 1.812 121.635 119.914 -0.152 0.000 4.828 515 V HA -0.091 4.031 4.120 0.003 0.000 0.429 515 V C -1.448 174.489 176.094 -0.261 0.000 0.686 515 V CA 0.576 62.699 62.300 -0.295 0.000 1.653 515 V CB -1.068 30.627 31.823 -0.214 0.000 1.964 515 V HN 0.399 nan 8.190 nan 0.000 0.484 516 P HA 0.478 nan 4.420 nan 0.000 0.282 516 P C -0.228 177.026 177.300 -0.076 0.000 1.249 516 P CA -0.363 62.605 63.100 -0.220 0.000 0.806 516 P CB 1.237 32.746 31.700 -0.318 0.000 0.984 517 E N 1.352 121.550 120.200 -0.003 0.000 2.373 517 E HA 0.201 4.553 4.350 0.003 0.000 0.267 517 E C 0.075 176.755 176.600 0.134 0.000 1.032 517 E CA -0.532 55.896 56.400 0.046 0.000 0.889 517 E CB 0.529 30.235 29.700 0.010 0.000 0.984 517 E HN 0.381 nan 8.360 nan 0.000 0.425 518 L N 3.081 124.350 121.223 0.078 0.000 2.439 518 L HA 0.174 4.516 4.340 0.003 0.000 0.269 518 L C 0.241 177.015 176.870 -0.160 0.000 1.179 518 L CA -0.293 54.514 54.840 -0.055 0.000 0.828 518 L CB -0.070 41.888 42.059 -0.169 0.000 1.106 518 L HN 0.333 nan 8.230 nan 0.000 0.467 519 L N 1.316 122.328 121.223 -0.351 0.000 2.350 519 L HA 0.305 4.647 4.340 0.003 0.000 0.275 519 L C 0.638 177.374 176.870 -0.223 0.000 1.099 519 L CA -0.129 54.535 54.840 -0.295 0.000 0.808 519 L CB 1.299 43.098 42.059 -0.434 0.000 1.149 519 L HN 0.620 nan 8.230 nan 0.000 0.442 520 T N -0.427 114.046 114.554 -0.135 0.000 2.902 520 T HA 0.120 4.471 4.350 0.003 0.000 0.280 520 T C 1.067 175.727 174.700 -0.067 0.000 0.992 520 T CA -0.593 61.451 62.100 -0.092 0.000 1.015 520 T CB 1.032 69.868 68.868 -0.054 0.000 1.044 520 T HN 0.636 nan 8.240 nan 0.000 0.520 521 E N 1.638 121.810 120.200 -0.046 0.000 2.204 521 E HA -0.084 4.268 4.350 0.003 0.000 0.195 521 E C 2.177 178.784 176.600 0.011 0.000 0.990 521 E CA 1.313 57.704 56.400 -0.016 0.000 0.821 521 E CB -0.671 29.021 29.700 -0.012 0.000 0.750 521 E HN 0.736 nan 8.360 nan 0.000 0.477 522 A N 1.369 124.193 122.820 0.007 0.000 1.873 522 A HA -0.192 4.130 4.320 0.003 0.000 0.215 522 A C 2.087 179.702 177.584 0.051 0.000 1.186 522 A CA 1.429 53.482 52.037 0.027 0.000 0.616 522 A CB -0.391 18.619 19.000 0.018 0.000 0.823 522 A HN 0.190 nan 8.150 nan 0.000 0.442 523 E N -0.176 120.047 120.200 0.038 0.000 2.047 523 E HA -0.176 4.176 4.350 0.003 0.000 0.191 523 E C 2.112 178.788 176.600 0.127 0.000 0.987 523 E CA 1.372 57.815 56.400 0.071 0.000 0.799 523 E CB -0.126 29.579 29.700 0.008 0.000 0.752 523 E HN 0.561 nan 8.360 nan 0.000 0.449 524 K N 0.640 121.083 120.400 0.072 0.000 2.026 524 K HA -0.174 4.148 4.320 0.003 0.000 0.208 524 K C 2.549 179.280 176.600 0.218 0.000 1.048 524 K CA 1.809 58.181 56.287 0.141 0.000 0.929 524 K CB -0.230 32.311 32.500 0.068 0.000 0.713 524 K HN 0.006 nan 8.250 nan 0.000 0.439 525 K N 1.257 121.741 120.400 0.140 0.000 2.074 525 K HA -0.239 4.083 4.320 0.003 0.000 0.209 525 K C 2.246 178.942 176.600 0.159 0.000 1.048 525 K CA 2.307 58.670 56.287 0.126 0.000 0.926 525 K CB -1.685 30.862 32.500 0.078 0.000 0.713 525 K HN 0.494 nan 8.250 nan 0.000 0.444 526 E N -0.052 120.255 120.200 0.178 0.000 2.049 526 E HA -0.223 4.129 4.350 0.003 0.000 0.198 526 E C 1.928 178.698 176.600 0.284 0.000 1.007 526 E CA 1.574 58.092 56.400 0.197 0.000 0.809 526 E CB -1.133 28.686 29.700 0.198 0.000 0.749 526 E HN 0.794 nan 8.360 nan 0.000 0.450 527 W N 0.516 121.916 121.300 0.167 0.000 2.358 527 W HA -0.164 4.497 4.660 0.003 0.000 0.303 527 W C 2.058 178.833 176.519 0.425 0.000 1.208 527 W CA 1.787 59.265 57.345 0.221 0.000 1.274 527 W CB -0.104 29.486 29.460 0.216 0.000 1.138 527 W HN 0.246 nan 8.180 nan 0.000 0.515 528 V N 0.849 120.982 119.914 0.365 0.000 2.594 528 V HA -0.271 3.851 4.120 0.003 0.000 0.253 528 V C 1.955 178.083 176.094 0.057 0.000 1.069 528 V CA 2.158 64.648 62.300 0.317 0.000 1.082 528 V CB -0.848 31.115 31.823 0.233 0.000 0.680 528 V HN 0.155 nan 8.190 nan 0.000 0.469 529 E N 0.379 120.617 120.200 0.062 0.000 2.409 529 E HA -0.131 4.221 4.350 0.003 0.000 0.198 529 E C 2.132 178.692 176.600 -0.066 0.000 1.024 529 E CA 1.113 57.509 56.400 -0.007 0.000 0.861 529 E CB -0.017 29.702 29.700 0.032 0.000 0.788 529 E HN 0.679 nan 8.360 nan 0.000 0.521 530 K N 0.238 120.589 120.400 -0.082 0.000 2.393 530 K HA 0.120 4.441 4.320 0.003 0.000 0.193 530 K C 0.529 176.946 176.600 -0.305 0.000 1.026 530 K CA 0.121 56.327 56.287 -0.135 0.000 1.064 530 K CB -0.172 32.218 32.500 -0.183 0.000 0.833 530 K HN 0.086 nan 8.250 nan 0.000 0.521 531 L N 2.872 123.741 121.223 -0.590 0.000 2.369 531 L HA 0.424 4.765 4.340 0.003 0.000 0.279 531 L C 0.121 176.658 176.870 -0.555 0.000 1.108 531 L CA 0.393 54.566 54.840 -1.111 0.000 0.852 531 L CB 0.671 41.885 42.059 -1.408 0.000 1.169 531 L HN 0.435 nan 8.230 nan 0.000 0.452 532 T N 0.541 114.821 114.554 -0.456 0.000 2.864 532 T HA 0.507 4.859 4.350 0.003 0.000 0.289 532 T C -0.036 174.548 174.700 -0.193 0.000 1.082 532 T CA -0.440 61.501 62.100 -0.265 0.000 1.009 532 T CB 1.265 70.020 68.868 -0.188 0.000 1.234 532 T HN 0.610 nan 8.240 nan 0.000 0.526 533 E N -0.656 119.456 120.200 -0.147 0.000 2.440 533 E HA -0.132 4.219 4.350 0.003 0.000 0.246 533 E C -0.455 176.158 176.600 0.022 0.000 1.165 533 E CA 0.164 56.535 56.400 -0.047 0.000 0.726 533 E CB -1.722 28.013 29.700 0.058 0.000 1.271 533 E HN 0.510 nan 8.360 nan 0.000 0.397 534 V N 0.805 120.686 119.914 -0.056 0.000 2.686 534 V HA 0.243 4.364 4.120 0.003 0.000 0.295 534 V C 0.699 176.824 176.094 0.051 0.000 1.057 534 V CA -0.219 62.082 62.300 0.001 0.000 1.012 534 V CB 1.919 33.748 31.823 0.010 0.000 1.006 534 V HN 0.124 nan 8.190 nan 0.000 0.477 535 S N 4.161 119.900 115.700 0.066 0.000 2.472 535 S HA 0.686 5.158 4.470 0.003 0.000 0.303 535 S C -0.497 174.075 174.600 -0.047 0.000 1.099 535 S CA -0.431 57.808 58.200 0.065 0.000 1.077 535 S CB 1.408 64.636 63.200 0.045 0.000 1.031 535 S HN 0.527 nan 8.310 nan 0.000 0.487 536 I N 1.876 122.397 120.570 -0.083 0.000 2.474 536 I HA 0.474 4.645 4.170 0.003 0.000 0.294 536 I C -0.351 175.755 176.117 -0.018 0.000 1.005 536 I CA -0.320 60.873 61.300 -0.179 0.000 1.113 536 I CB 2.081 39.892 38.000 -0.315 0.000 1.289 536 I HN 0.546 nan 8.210 nan 0.000 0.436 537 S N 4.054 119.749 115.700 -0.008 0.000 2.532 537 S HA 0.491 4.963 4.470 0.003 0.000 0.299 537 S C -0.926 173.685 174.600 0.018 0.000 1.105 537 S CA -0.380 57.853 58.200 0.054 0.000 1.018 537 S CB 1.589 64.838 63.200 0.081 0.000 1.021 537 S HN 0.588 nan 8.310 nan 0.000 0.483 538 S N 2.390 118.073 115.700 -0.028 0.000 2.454 538 S HA 0.328 4.799 4.470 0.003 0.000 0.306 538 S C 0.707 175.210 174.600 -0.161 0.000 1.100 538 S CA -0.660 57.452 58.200 -0.147 0.000 1.087 538 S CB 1.004 63.904 63.200 -0.500 0.000 1.019 538 S HN 0.855 nan 8.310 nan 0.000 0.480 539 D N 3.529 123.863 120.400 -0.110 0.000 2.350 539 D HA 0.159 4.801 4.640 0.003 0.000 0.216 539 D C 0.526 176.693 176.300 -0.223 0.000 0.968 539 D CA 0.760 54.696 54.000 -0.107 0.000 0.894 539 D CB -0.065 40.739 40.800 0.006 0.000 0.909 539 D HN 0.544 nan 8.370 nan 0.000 0.520 540 A N -0.734 121.916 122.820 -0.284 0.000 2.583 540 A HA 0.569 4.891 4.320 0.003 0.000 0.289 540 A C -0.722 176.587 177.584 -0.458 0.000 1.151 540 A CA -1.034 50.751 52.037 -0.422 0.000 0.695 540 A CB 0.436 19.164 19.000 -0.452 0.000 1.290 540 A HN 0.140 nan 8.150 nan 0.000 0.419 541 F N -0.794 118.961 119.950 -0.326 0.000 2.490 541 F HA 0.656 5.185 4.527 0.002 0.000 0.336 541 F C -0.673 174.937 175.800 -0.316 0.000 1.178 541 F CA -0.976 56.830 58.000 -0.323 0.000 1.301 541 F CB -0.273 38.581 39.000 -0.244 0.000 1.175 541 F HN 0.256 nan 8.300 nan 0.000 0.593 542 F N 3.060 123.199 119.950 0.314 0.000 2.420 542 F HA 0.322 4.851 4.527 0.004 0.000 0.352 542 F C -1.287 174.647 175.800 0.224 0.000 1.108 542 F CA -2.077 56.041 58.000 0.195 0.000 1.162 542 F CB 0.783 39.866 39.000 0.138 0.000 1.118 542 F HN 0.371 nan 8.300 nan 0.000 0.510 543 P HA 0.046 nan 4.420 nan 0.000 0.235 543 P C -0.471 176.447 177.300 -0.637 0.000 1.177 543 P CA 0.922 63.911 63.100 -0.184 0.000 0.785 543 P CB 0.535 32.041 31.700 -0.323 0.000 0.885 544 F N -0.727 119.344 119.950 0.201 0.000 2.645 544 F HA 0.365 4.894 4.527 0.003 0.000 0.310 544 F C 1.698 177.534 175.800 0.060 0.000 1.102 544 F CA -1.052 57.012 58.000 0.107 0.000 0.952 544 F CB 1.005 40.048 39.000 0.071 0.000 1.326 544 F HN -0.366 nan 8.300 nan 0.000 0.456 545 R N -0.346 120.288 120.500 0.222 0.000 2.189 545 R HA 0.065 4.407 4.340 0.003 0.000 0.218 545 R C 1.116 177.422 176.300 0.010 0.000 1.074 545 R CA 1.526 57.665 56.100 0.066 0.000 0.991 545 R CB -1.181 29.148 30.300 0.049 0.000 0.883 545 R HN 0.775 nan 8.270 nan 0.000 0.457 546 D N 1.783 122.218 120.400 0.058 0.000 2.228 546 D HA -0.192 4.450 4.640 0.003 0.000 0.203 546 D C 1.629 177.917 176.300 -0.020 0.000 0.988 546 D CA 1.454 55.463 54.000 0.015 0.000 0.864 546 D CB -0.563 40.251 40.800 0.023 0.000 0.928 546 D HN 0.408 nan 8.370 nan 0.000 0.469 547 N N -0.126 118.544 118.700 -0.051 0.000 2.120 547 N HA -0.106 4.635 4.740 0.003 0.000 0.188 547 N C 2.234 177.570 175.510 -0.290 0.000 1.024 547 N CA 1.514 54.464 53.050 -0.166 0.000 0.852 547 N CB -0.037 38.237 38.487 -0.355 0.000 1.003 547 N HN 0.422 nan 8.380 nan 0.000 0.424 548 V N 2.102 121.815 119.914 -0.335 0.000 2.358 548 V HA -0.158 3.963 4.120 0.003 0.000 0.246 548 V C 1.635 177.647 176.094 -0.137 0.000 1.047 548 V CA 1.441 63.580 62.300 -0.269 0.000 1.035 548 V CB -0.470 31.222 31.823 -0.220 0.000 0.658 548 V HN 0.210 nan 8.190 nan 0.000 0.452 549 D N -0.011 120.334 120.400 -0.092 0.000 2.265 549 D HA -0.208 4.434 4.640 0.003 0.000 0.208 549 D C 2.279 178.558 176.300 -0.036 0.000 0.977 549 D CA 1.294 55.263 54.000 -0.053 0.000 0.871 549 D CB -0.053 40.727 40.800 -0.033 0.000 0.925 549 D HN 0.308 nan 8.370 nan 0.000 0.485 550 R N 1.088 121.570 120.500 -0.031 0.000 2.090 550 R HA 0.127 4.469 4.340 0.003 0.000 0.219 550 R C 2.024 178.348 176.300 0.039 0.000 1.100 550 R CA 1.312 57.418 56.100 0.010 0.000 0.991 550 R CB -0.612 29.711 30.300 0.038 0.000 0.893 550 R HN -0.010 nan 8.270 nan 0.000 0.443 551 A N 1.069 123.900 122.820 0.019 0.000 1.908 551 A HA -0.198 4.123 4.320 0.003 0.000 0.218 551 A C 2.030 179.635 177.584 0.035 0.000 1.181 551 A CA 1.966 54.041 52.037 0.063 0.000 0.627 551 A CB -0.583 18.361 19.000 -0.093 0.000 0.818 551 A HN 0.308 nan 8.150 nan 0.000 0.445 552 K N 0.218 120.599 120.400 -0.031 0.000 2.020 552 K HA -0.138 4.184 4.320 0.003 0.000 0.212 552 K C 1.933 178.512 176.600 -0.036 0.000 1.050 552 K CA 1.879 58.136 56.287 -0.050 0.000 0.929 552 K CB -0.374 32.090 32.500 -0.060 0.000 0.714 552 K HN 0.476 nan 8.250 nan 0.000 0.443 553 R N -0.409 120.079 120.500 -0.020 0.000 2.397 553 R HA 0.003 4.345 4.340 0.003 0.000 0.213 553 R C 0.606 176.890 176.300 -0.027 0.000 1.102 553 R CA 0.910 56.998 56.100 -0.021 0.000 1.040 553 R CB -0.049 30.244 30.300 -0.011 0.000 0.844 553 R HN -0.009 nan 8.270 nan 0.000 0.478 554 S N -0.620 115.073 115.700 -0.011 0.000 2.711 554 S HA 0.223 4.695 4.470 0.003 0.000 0.247 554 S C 0.508 175.076 174.600 -0.053 0.000 1.079 554 S CA 0.221 58.398 58.200 -0.038 0.000 1.050 554 S CB 1.479 64.650 63.200 -0.048 0.000 0.885 554 S HN 0.574 nan 8.310 nan 0.000 0.498 555 G N 1.105 109.848 108.800 -0.095 0.000 2.203 555 G HA2 -0.255 3.707 3.960 0.003 0.000 0.263 555 G HA3 -0.255 3.707 3.960 0.003 0.000 0.263 555 G C 0.166 174.993 174.900 -0.121 0.000 1.012 555 G CA 0.249 45.262 45.100 -0.145 0.000 0.749 555 G HN 0.500 nan 8.290 nan 0.000 0.512 556 V N 0.030 119.904 119.914 -0.067 0.000 2.521 556 V HA 0.462 4.584 4.120 0.003 0.000 0.286 556 V C 1.309 177.274 176.094 -0.214 0.000 1.034 556 V CA 1.105 63.345 62.300 -0.099 0.000 1.045 556 V CB 1.182 32.959 31.823 -0.077 0.000 0.974 556 V HN 0.912 nan 8.190 nan 0.000 0.480 557 A N 4.640 127.241 122.820 -0.365 0.000 2.287 557 A HA 0.444 4.766 4.320 0.003 0.000 0.214 557 A C 0.137 177.166 177.584 -0.925 0.000 1.228 557 A CA 0.173 51.794 52.037 -0.693 0.000 0.939 557 A CB 0.440 18.869 19.000 -0.951 0.000 0.992 557 A HN 0.711 nan 8.150 nan 0.000 0.502 558 Y N -1.066 119.195 120.300 -0.065 0.000 2.470 558 Y HA 0.715 5.267 4.550 0.003 0.000 0.341 558 Y C -0.561 175.312 175.900 -0.046 0.000 1.021 558 Y CA -0.959 57.107 58.100 -0.056 0.000 1.025 558 Y CB 1.531 39.948 38.460 -0.071 0.000 1.266 558 Y HN -0.030 nan 8.280 nan 0.000 0.448 559 I N 2.477 123.126 120.570 0.132 0.000 2.533 559 I HA 0.732 4.903 4.170 0.003 0.000 0.290 559 I C -0.870 175.356 176.117 0.182 0.000 1.056 559 I CA -0.984 60.391 61.300 0.124 0.000 1.057 559 I CB 2.058 40.118 38.000 0.100 0.000 1.240 559 I HN 0.785 nan 8.210 nan 0.000 0.423 560 A N 5.210 128.160 122.820 0.216 0.000 2.331 560 A HA 0.972 5.294 4.320 0.003 0.000 0.320 560 A C -0.736 176.962 177.584 0.191 0.000 1.138 560 A CA -0.415 51.783 52.037 0.268 0.000 0.790 560 A CB 1.403 20.685 19.000 0.470 0.000 1.206 560 A HN 0.879 nan 8.150 nan 0.000 0.470 561 A N 3.702 126.630 122.820 0.178 0.000 2.555 561 A HA 0.759 5.081 4.320 0.003 0.000 0.297 561 A C -3.274 174.348 177.584 0.064 0.000 1.060 561 A CA -1.220 50.856 52.037 0.065 0.000 0.710 561 A CB 0.928 19.965 19.000 0.063 0.000 1.282 561 A HN 0.509 nan 8.150 nan 0.000 0.399 562 P HA 0.159 nan 4.420 nan 0.000 0.269 562 P C 0.438 177.568 177.300 -0.283 0.000 1.211 562 P CA 0.328 63.346 63.100 -0.137 0.000 0.781 562 P CB 0.741 32.353 31.700 -0.147 0.000 0.877 563 S N 0.650 116.089 115.700 -0.434 0.000 2.666 563 S HA 0.593 5.065 4.470 0.003 0.000 0.279 563 S C 0.775 175.135 174.600 -0.401 0.000 1.149 563 S CA 0.285 58.059 58.200 -0.710 0.000 1.020 563 S CB -0.283 62.618 63.200 -0.498 0.000 1.127 563 S HN 0.822 nan 8.310 nan 0.000 0.537 564 G N 0.098 108.608 108.800 -0.483 0.000 2.173 564 G HA2 -0.072 3.890 3.960 0.003 0.000 0.174 564 G HA3 -0.072 3.890 3.960 0.003 0.000 0.174 564 G C -0.129 174.126 174.900 -1.076 0.000 1.025 564 G CA 0.280 45.056 45.100 -0.540 0.000 0.706 564 G HN 0.973 nan 8.290 nan 0.000 0.499 565 S N -1.319 113.784 115.700 -0.994 0.000 2.632 565 S HA 0.818 5.290 4.470 0.003 0.000 0.289 565 S C 1.224 175.578 174.600 -0.409 0.000 1.115 565 S CA 0.547 58.180 58.200 -0.945 0.000 0.889 565 S CB 1.621 64.189 63.200 -1.055 0.000 1.116 565 S HN 1.612 nan 8.310 nan 0.000 0.486 566 A N 1.128 123.783 122.820 -0.276 0.000 2.238 566 A HA 0.499 4.821 4.320 0.003 0.000 0.208 566 A C 1.390 178.915 177.584 -0.099 0.000 1.177 566 A CA 0.929 52.881 52.037 -0.142 0.000 0.804 566 A CB -0.633 18.314 19.000 -0.088 0.000 0.823 566 A HN 1.096 nan 8.150 nan 0.000 0.482 567 A N -0.996 121.748 122.820 -0.127 0.000 2.431 567 A HA 0.293 4.615 4.320 0.003 0.000 0.239 567 A C 1.113 178.692 177.584 -0.009 0.000 1.230 567 A CA 0.526 52.536 52.037 -0.045 0.000 0.928 567 A CB -0.024 18.949 19.000 -0.045 0.000 1.006 567 A HN 0.264 nan 8.150 nan 0.000 0.520 568 D N 1.141 121.513 120.400 -0.046 0.000 2.116 568 D HA -0.118 4.524 4.640 0.003 0.000 0.193 568 D C 2.321 178.661 176.300 0.067 0.000 0.998 568 D CA 2.330 56.360 54.000 0.050 0.000 0.836 568 D CB -0.036 40.766 40.800 0.002 0.000 0.951 568 D HN 0.502 nan 8.370 nan 0.000 0.449 569 K N 0.432 120.845 120.400 0.022 0.000 2.211 569 K HA -0.012 4.310 4.320 0.003 0.000 0.203 569 K C 2.207 178.817 176.600 0.017 0.000 1.050 569 K CA 1.071 57.367 56.287 0.016 0.000 0.945 569 K CB -0.875 31.626 32.500 0.003 0.000 0.732 569 K HN 0.139 nan 8.250 nan 0.000 0.451 570 V N 0.412 120.342 119.914 0.026 0.000 2.379 570 V HA -0.153 3.969 4.120 0.003 0.000 0.243 570 V C 2.441 178.555 176.094 0.034 0.000 1.035 570 V CA 1.302 63.622 62.300 0.032 0.000 1.035 570 V CB 0.246 32.100 31.823 0.051 0.000 0.673 570 V HN 0.349 nan 8.190 nan 0.000 0.457 571 V N 0.279 120.225 119.914 0.054 0.000 2.407 571 V HA -0.257 3.864 4.120 0.003 0.000 0.248 571 V C 2.203 178.306 176.094 0.014 0.000 1.055 571 V CA 2.047 64.380 62.300 0.054 0.000 1.049 571 V CB -0.559 31.346 31.823 0.137 0.000 0.662 571 V HN 0.447 nan 8.190 nan 0.000 0.455 572 I N 0.578 121.151 120.570 0.004 0.000 2.252 572 I HA -0.196 3.976 4.170 0.003 0.000 0.245 572 I C 2.946 179.045 176.117 -0.031 0.000 1.102 572 I CA 1.783 63.059 61.300 -0.040 0.000 1.385 572 I CB -0.768 37.205 38.000 -0.045 0.000 1.064 572 I HN 0.459 nan 8.210 nan 0.000 0.414 573 E N 1.258 121.449 120.200 -0.016 0.000 2.150 573 E HA -0.106 4.246 4.350 0.003 0.000 0.193 573 E C 2.258 178.846 176.600 -0.020 0.000 0.985 573 E CA 1.289 57.679 56.400 -0.016 0.000 0.814 573 E CB -0.693 29.003 29.700 -0.007 0.000 0.752 573 E HN 0.616 nan 8.360 nan 0.000 0.466 574 A N -0.154 122.654 122.820 -0.020 0.000 1.969 574 A HA -0.030 4.292 4.320 0.003 0.000 0.218 574 A C 2.580 180.137 177.584 -0.045 0.000 1.169 574 A CA 1.449 53.468 52.037 -0.029 0.000 0.635 574 A CB -0.760 18.223 19.000 -0.028 0.000 0.810 574 A HN 0.619 nan 8.150 nan 0.000 0.445 575 C N -0.716 118.554 119.300 -0.050 0.000 2.500 575 C HA -0.041 4.421 4.460 0.003 0.000 0.279 575 C C 2.377 177.335 174.990 -0.054 0.000 1.288 575 C CA 0.774 59.755 59.018 -0.061 0.000 1.710 575 C CB -1.008 26.695 27.740 -0.062 0.000 2.052 575 C HN 0.591 nan 8.230 nan 0.000 0.488 576 D N 0.530 120.904 120.400 -0.044 0.000 2.104 576 D HA -0.178 4.464 4.640 0.003 0.000 0.194 576 D C 2.088 178.366 176.300 -0.036 0.000 0.994 576 D CA 1.448 55.425 54.000 -0.037 0.000 0.830 576 D CB -0.515 40.267 40.800 -0.029 0.000 0.959 576 D HN 0.641 nan 8.370 nan 0.000 0.452 577 E N 0.325 120.505 120.200 -0.034 0.000 2.077 577 E HA -0.132 4.220 4.350 0.003 0.000 0.193 577 E C 2.009 178.586 176.600 -0.038 0.000 0.989 577 E CA 0.611 56.992 56.400 -0.031 0.000 0.800 577 E CB -0.000 29.684 29.700 -0.026 0.000 0.746 577 E HN 0.235 nan 8.360 nan 0.000 0.452 578 L N -0.398 120.796 121.223 -0.048 0.000 2.591 578 L HA 0.188 4.530 4.340 0.003 0.000 0.228 578 L C 1.130 177.959 176.870 -0.069 0.000 1.133 578 L CA 0.336 55.142 54.840 -0.057 0.000 0.880 578 L CB 0.218 42.238 42.059 -0.065 0.000 1.033 578 L HN 0.408 nan 8.230 nan 0.000 0.450 579 G N 1.257 110.018 108.800 -0.065 0.000 2.198 579 G HA2 -0.268 3.694 3.960 0.003 0.000 0.257 579 G HA3 -0.268 3.694 3.960 0.003 0.000 0.257 579 G C 0.094 174.932 174.900 -0.103 0.000 1.042 579 G CA 0.042 45.099 45.100 -0.073 0.000 0.791 579 G HN 0.312 nan 8.290 nan 0.000 0.502 580 I N -0.432 120.078 120.570 -0.101 0.000 2.793 580 I HA 0.567 4.738 4.170 0.003 0.000 0.313 580 I C 0.718 176.792 176.117 -0.072 0.000 0.998 580 I CA -1.253 59.970 61.300 -0.128 0.000 1.140 580 I CB 1.644 39.571 38.000 -0.121 0.000 1.327 580 I HN -0.062 nan 8.210 nan 0.000 0.491 581 I N 4.286 124.833 120.570 -0.037 0.000 2.354 581 I HA 0.273 4.445 4.170 0.003 0.000 0.292 581 I C -0.941 175.206 176.117 0.049 0.000 0.989 581 I CA -0.614 60.711 61.300 0.042 0.000 1.188 581 I CB 1.798 39.896 38.000 0.162 0.000 1.342 581 I HN 0.242 nan 8.210 nan 0.000 0.457 582 L N 7.420 128.648 121.223 0.007 0.000 2.313 582 L HA 0.790 5.132 4.340 0.003 0.000 0.283 582 L C -0.487 176.372 176.870 -0.019 0.000 1.013 582 L CA -0.240 54.593 54.840 -0.012 0.000 0.816 582 L CB 1.465 43.463 42.059 -0.101 0.000 1.236 582 L HN 0.632 nan 8.230 nan 0.000 0.419 583 A N 4.176 127.034 122.820 0.062 0.000 2.291 583 A HA 0.516 4.837 4.320 0.003 0.000 0.311 583 A C -0.939 176.730 177.584 0.142 0.000 1.224 583 A CA -0.411 51.685 52.037 0.098 0.000 0.821 583 A CB 0.076 19.200 19.000 0.205 0.000 1.172 583 A HN 0.896 nan 8.150 nan 0.000 0.494 584 H N 1.164 120.253 119.070 0.032 0.000 2.487 584 H HA 0.553 5.111 4.556 0.003 0.000 0.333 584 H C 0.787 176.083 175.328 -0.052 0.000 1.114 584 H CA 0.345 56.392 56.048 -0.002 0.000 1.310 584 H CB 1.555 31.314 29.762 -0.005 0.000 1.462 584 H HN 0.815 nan 8.280 nan 0.000 0.516 585 T N -0.340 114.222 114.554 0.014 0.000 2.773 585 T HA 0.208 4.560 4.350 0.003 0.000 0.278 585 T C 0.173 174.806 174.700 -0.112 0.000 1.011 585 T CA -1.044 61.002 62.100 -0.090 0.000 1.014 585 T CB 1.486 70.245 68.868 -0.181 0.000 1.293 585 T HN 0.518 nan 8.240 nan 0.000 0.554 586 N N -0.548 118.079 118.700 -0.122 0.000 2.480 586 N HA 0.425 5.167 4.740 0.003 0.000 0.281 586 N C -1.323 174.110 175.510 -0.128 0.000 1.381 586 N CA -0.221 52.760 53.050 -0.115 0.000 0.903 586 N CB 0.103 38.535 38.487 -0.091 0.000 1.274 586 N HN 0.511 nan 8.380 nan 0.000 0.505 587 L N 0.829 121.959 121.223 -0.154 0.000 2.454 587 L HA 0.433 4.775 4.340 0.003 0.000 0.258 587 L C -0.398 176.356 176.870 -0.193 0.000 1.025 587 L CA -0.523 54.219 54.840 -0.164 0.000 0.901 587 L CB 0.515 42.473 42.059 -0.168 0.000 1.210 587 L HN 0.000 nan 8.230 nan 0.000 0.457 588 R N 3.209 123.574 120.500 -0.224 0.000 2.543 588 R HA 0.454 4.795 4.340 0.003 0.000 0.277 588 R C -0.585 175.543 176.300 -0.286 0.000 1.074 588 R CA -0.127 55.779 56.100 -0.323 0.000 1.076 588 R CB 0.558 30.586 30.300 -0.453 0.000 0.993 588 R HN 0.702 nan 8.270 nan 0.000 0.459 589 L N 5.331 126.385 121.223 -0.282 0.000 2.960 589 L HA 0.314 4.655 4.340 0.003 0.000 0.274 589 L C -0.764 176.089 176.870 -0.027 0.000 1.327 589 L CA -0.603 54.136 54.840 -0.169 0.000 0.860 589 L CB 0.110 42.074 42.059 -0.158 0.000 1.239 589 L HN 0.451 nan 8.230 nan 0.000 0.551 590 F N 0.274 120.158 119.950 -0.110 0.000 2.506 590 F HA 0.254 4.782 4.527 0.001 0.000 0.351 590 F C 0.683 176.434 175.800 -0.082 0.000 1.136 590 F CA -0.184 57.742 58.000 -0.122 0.000 1.298 590 F CB 0.199 39.155 39.000 -0.074 0.000 1.145 590 F HN 0.164 nan 8.300 nan 0.000 0.593 591 H N 2.450 121.421 119.070 -0.165 0.000 3.017 591 H HA 0.435 4.992 4.556 0.002 0.000 0.340 591 H C -1.116 173.968 175.328 -0.408 0.000 1.014 591 H CA -0.421 55.522 56.048 -0.175 0.000 1.341 591 H CB 0.581 30.283 29.762 -0.101 0.000 1.739 591 H HN 0.539 nan 8.280 nan 0.000 0.506 592 H N 0.000 118.948 119.070 -0.203 0.000 2.539 592 H HA 0.000 4.557 4.556 0.002 0.000 0.296 592 H CA 0.000 55.937 56.048 -0.185 0.000 1.023 592 H CB 0.000 29.707 29.762 -0.092 0.000 1.292 592 H HN 0.000 nan 8.280 nan 0.000 0.496