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 2byb_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.457 175.510 -0.089 0.000 1.280 3 N CA 0.000 52.881 53.050 -0.282 0.000 0.885 3 N CB 0.000 38.395 38.487 -0.154 0.000 1.341 4 K N 1.145 121.530 120.400 -0.026 0.000 2.172 4 K HA 0.561 4.881 4.320 -0.000 0.000 0.276 4 K C -0.129 176.503 176.600 0.053 0.000 1.013 4 K CA -0.420 55.878 56.287 0.019 0.000 0.913 4 K CB 1.503 34.004 32.500 0.002 0.000 1.055 4 K HN 0.624 nan 8.250 nan 0.000 0.461 5 C N -1.194 118.145 119.300 0.065 0.000 3.272 5 C HA 0.362 4.822 4.460 -0.000 0.000 0.363 5 C C 0.517 175.543 174.990 0.059 0.000 1.514 5 C CA -0.807 58.253 59.018 0.070 0.000 1.185 5 C CB 0.747 28.545 27.740 0.098 0.000 1.716 5 C HN 0.803 nan 8.230 nan 0.000 0.440 6 D N 0.241 120.679 120.400 0.063 0.000 2.149 6 D HA 0.149 4.789 4.640 -0.000 0.000 0.206 6 D C 0.249 176.609 176.300 0.101 0.000 0.967 6 D CA 1.619 55.663 54.000 0.073 0.000 0.848 6 D CB 0.292 41.133 40.800 0.069 0.000 0.998 6 D HN 0.463 nan 8.370 nan 0.000 0.474 7 V N 1.623 121.589 119.914 0.087 0.000 2.569 7 V HA 0.229 4.349 4.120 -0.000 0.000 0.301 7 V C -0.261 175.867 176.094 0.057 0.000 1.044 7 V CA -0.802 61.552 62.300 0.089 0.000 0.874 7 V CB 2.778 34.643 31.823 0.070 0.000 1.002 7 V HN -0.226 nan 8.190 nan 0.000 0.424 8 V N 5.504 125.449 119.914 0.051 0.000 2.407 8 V HA 0.424 4.544 4.120 -0.000 0.000 0.278 8 V C -0.063 176.027 176.094 -0.006 0.000 1.037 8 V CA -0.455 61.846 62.300 0.003 0.000 0.900 8 V CB 1.860 33.677 31.823 -0.010 0.000 0.983 8 V HN 0.628 nan 8.190 nan 0.000 0.459 9 V N 6.063 125.959 119.914 -0.030 0.000 2.370 9 V HA 0.310 4.430 4.120 -0.000 0.000 0.283 9 V C 0.028 176.099 176.094 -0.038 0.000 1.023 9 V CA -0.616 61.671 62.300 -0.021 0.000 0.857 9 V CB 1.696 33.510 31.823 -0.016 0.000 0.985 9 V HN 0.605 nan 8.190 nan 0.000 0.443 10 V N 4.605 124.511 119.914 -0.014 0.000 2.356 10 V HA 0.781 4.901 4.120 -0.000 0.000 0.258 10 V C 0.747 176.847 176.094 0.010 0.000 1.065 10 V CA 0.461 62.754 62.300 -0.012 0.000 0.935 10 V CB 0.229 32.063 31.823 0.018 0.000 1.061 10 V HN 1.238 nan 8.190 nan 0.000 0.484 11 G N 3.399 112.191 108.800 -0.012 0.000 3.088 11 G HA2 0.252 4.212 3.960 -0.000 0.000 0.620 11 G HA3 0.252 4.212 3.960 -0.000 0.000 0.620 11 G C 0.027 174.929 174.900 0.003 0.000 1.375 11 G CA -0.493 44.612 45.100 0.008 0.000 1.016 11 G HN 1.036 nan 8.290 nan 0.000 0.590 12 G N 0.460 109.260 108.800 0.001 0.000 3.820 12 G HA2 0.643 4.603 3.960 -0.000 0.000 0.293 12 G HA3 0.643 4.603 3.960 -0.000 0.000 0.293 12 G C 0.854 175.770 174.900 0.028 0.000 1.152 12 G CA 0.896 45.998 45.100 0.003 0.000 0.921 12 G HN 1.208 nan 8.290 nan 0.000 0.544 13 G N -0.248 108.577 108.800 0.043 0.000 2.543 13 G HA2 0.384 4.344 3.960 -0.000 0.000 0.290 13 G HA3 0.384 4.344 3.960 -0.000 0.000 0.290 13 G C 1.144 176.069 174.900 0.042 0.000 1.310 13 G CA -0.795 44.340 45.100 0.058 0.000 1.025 13 G HN 0.103 nan 8.290 nan 0.000 0.502 14 I N -0.453 120.144 120.570 0.044 0.000 2.194 14 I HA -0.229 3.941 4.170 -0.000 0.000 0.246 14 I C 3.007 179.147 176.117 0.039 0.000 1.093 14 I CA 1.629 62.948 61.300 0.032 0.000 1.355 14 I CB -0.098 37.924 38.000 0.037 0.000 1.046 14 I HN 0.477 nan 8.210 nan 0.000 0.413 15 S N 0.544 116.279 115.700 0.058 0.000 2.348 15 S HA -0.130 4.340 4.470 -0.000 0.000 0.221 15 S C 2.118 176.745 174.600 0.045 0.000 1.033 15 S CA 1.636 59.874 58.200 0.063 0.000 1.010 15 S CB -0.629 62.626 63.200 0.092 0.000 0.891 15 S HN 0.574 nan 8.310 nan 0.000 0.442 16 G N 1.499 110.324 108.800 0.042 0.000 2.418 16 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 16 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 16 G C 1.433 176.337 174.900 0.007 0.000 1.158 16 G CA 0.993 46.107 45.100 0.024 0.000 0.771 16 G HN 0.403 nan 8.290 nan 0.000 0.545 17 M N 1.105 120.707 119.600 0.004 0.000 2.175 17 M HA 0.111 4.591 4.480 -0.000 0.000 0.264 17 M C 2.942 179.235 176.300 -0.012 0.000 1.063 17 M CA 1.091 56.383 55.300 -0.012 0.000 1.119 17 M CB -1.160 31.430 32.600 -0.017 0.000 1.377 17 M HN 0.320 nan 8.290 nan 0.000 0.415 18 A N 0.100 122.920 122.820 -0.001 0.000 1.929 18 A HA 0.091 4.411 4.320 -0.000 0.000 0.216 18 A C 2.442 180.026 177.584 0.001 0.000 1.176 18 A CA 1.799 53.837 52.037 0.001 0.000 0.628 18 A CB -0.784 18.223 19.000 0.012 0.000 0.816 18 A HN 0.439 nan 8.150 nan 0.000 0.444 19 A N 0.135 122.956 122.820 0.002 0.000 1.845 19 A HA 0.158 4.478 4.320 -0.000 0.000 0.215 19 A C 2.559 180.141 177.584 -0.004 0.000 1.195 19 A CA 2.249 54.281 52.037 -0.007 0.000 0.616 19 A CB -1.274 17.723 19.000 -0.006 0.000 0.832 19 A HN 1.092 nan 8.150 nan 0.000 0.443 20 A N -0.116 122.703 122.820 -0.001 0.000 1.892 20 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 20 A C 2.174 179.776 177.584 0.031 0.000 1.188 20 A CA 2.367 54.408 52.037 0.007 0.000 0.631 20 A CB -0.590 18.403 19.000 -0.013 0.000 0.822 20 A HN 0.599 nan 8.150 nan 0.000 0.447 21 K N -0.518 119.889 120.400 0.012 0.000 2.063 21 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 21 K C 2.020 178.664 176.600 0.074 0.000 1.048 21 K CA 1.535 57.844 56.287 0.037 0.000 0.928 21 K CB -0.335 32.166 32.500 0.003 0.000 0.713 21 K HN 0.462 nan 8.250 nan 0.000 0.442 22 L N 1.229 122.472 121.223 0.033 0.000 1.970 22 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 22 L C 2.284 179.166 176.870 0.020 0.000 1.071 22 L CA 1.444 56.294 54.840 0.018 0.000 0.751 22 L CB -0.268 41.786 42.059 -0.009 0.000 0.889 22 L HN 0.252 nan 8.230 nan 0.000 0.432 23 L N -1.060 120.173 121.223 0.018 0.000 2.042 23 L HA -0.299 4.041 4.340 -0.000 0.000 0.210 23 L C 2.613 179.508 176.870 0.041 0.000 1.076 23 L CA 1.714 56.561 54.840 0.011 0.000 0.749 23 L CB -0.955 41.106 42.059 0.003 0.000 0.893 23 L HN 0.447 nan 8.230 nan 0.000 0.432 24 H N 0.203 119.263 119.070 -0.017 0.000 2.319 24 H HA -0.214 4.342 4.556 -0.000 0.000 0.299 24 H C 1.865 177.186 175.328 -0.011 0.000 1.092 24 H CA 2.104 58.146 56.048 -0.010 0.000 1.302 24 H CB -0.037 29.720 29.762 -0.009 0.000 1.373 24 H HN 0.217 nan 8.280 nan 0.000 0.497 25 D N -0.484 119.930 120.400 0.023 0.000 2.221 25 D HA -0.098 4.542 4.640 -0.000 0.000 0.204 25 D C 1.779 178.034 176.300 -0.075 0.000 0.982 25 D CA 1.283 55.261 54.000 -0.037 0.000 0.857 25 D CB -0.213 40.606 40.800 0.032 0.000 0.934 25 D HN 0.364 nan 8.370 nan 0.000 0.475 26 S N -1.093 114.572 115.700 -0.058 0.000 2.603 26 S HA 0.251 4.721 4.470 -0.000 0.000 0.220 26 S C 1.560 176.118 174.600 -0.070 0.000 0.967 26 S CA 0.528 58.696 58.200 -0.054 0.000 0.920 26 S CB 0.630 63.806 63.200 -0.039 0.000 0.773 26 S HN 0.430 nan 8.310 nan 0.000 0.529 27 G N 1.228 109.959 108.800 -0.115 0.000 2.143 27 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.249 27 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.249 27 G C 0.003 174.862 174.900 -0.068 0.000 0.981 27 G CA -0.116 44.916 45.100 -0.114 0.000 0.665 27 G HN 0.451 nan 8.290 nan 0.000 0.528 28 L N 0.437 121.634 121.223 -0.043 0.000 2.421 28 L HA 0.391 4.731 4.340 -0.000 0.000 0.263 28 L C 0.182 177.066 176.870 0.023 0.000 1.122 28 L CA -1.019 53.819 54.840 -0.004 0.000 0.804 28 L CB 0.541 42.604 42.059 0.008 0.000 1.150 28 L HN 0.035 nan 8.230 nan 0.000 0.457 29 N N 2.126 120.849 118.700 0.039 0.000 2.406 29 N HA 0.278 5.018 4.740 -0.000 0.000 0.251 29 N C -0.674 174.879 175.510 0.071 0.000 1.069 29 N CA -0.164 52.923 53.050 0.063 0.000 0.947 29 N CB 1.610 40.129 38.487 0.054 0.000 1.111 29 N HN 0.344 nan 8.380 nan 0.000 0.497 30 V N -0.116 119.848 119.914 0.083 0.000 2.628 30 V HA 0.683 4.803 4.120 -0.000 0.000 0.306 30 V C -0.015 176.107 176.094 0.047 0.000 1.045 30 V CA -0.813 61.523 62.300 0.061 0.000 0.905 30 V CB 1.780 33.636 31.823 0.057 0.000 0.997 30 V HN 0.175 nan 8.190 nan 0.000 0.436 31 V N 4.312 124.240 119.914 0.023 0.000 2.555 31 V HA 0.547 4.667 4.120 -0.000 0.000 0.302 31 V C -0.157 175.893 176.094 -0.073 0.000 1.038 31 V CA -0.572 61.716 62.300 -0.020 0.000 0.887 31 V CB 1.929 33.742 31.823 -0.016 0.000 0.991 31 V HN 0.810 nan 8.190 nan 0.000 0.434 32 V N 6.104 125.968 119.914 -0.084 0.000 2.370 32 V HA 0.437 4.557 4.120 -0.000 0.000 0.283 32 V C -0.192 175.820 176.094 -0.138 0.000 1.023 32 V CA -0.430 61.815 62.300 -0.092 0.000 0.857 32 V CB 1.497 33.283 31.823 -0.060 0.000 0.985 32 V HN 0.626 nan 8.190 nan 0.000 0.443 33 L N 4.548 125.671 121.223 -0.166 0.000 2.264 33 L HA 0.538 4.878 4.340 -0.000 0.000 0.287 33 L C -0.098 176.695 176.870 -0.127 0.000 1.039 33 L CA -0.320 54.405 54.840 -0.192 0.000 0.829 33 L CB 1.289 43.189 42.059 -0.265 0.000 1.211 33 L HN 0.606 nan 8.230 nan 0.000 0.427 34 E N 2.409 122.541 120.200 -0.113 0.000 2.129 34 E HA 0.424 4.774 4.350 -0.000 0.000 0.268 34 E C 0.576 177.083 176.600 -0.155 0.000 0.900 34 E CA -0.250 56.086 56.400 -0.108 0.000 0.755 34 E CB 1.905 31.565 29.700 -0.067 0.000 1.117 34 E HN 0.562 nan 8.360 nan 0.000 0.410 35 A N 5.610 128.275 122.820 -0.259 0.000 1.917 35 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 35 A C 1.143 178.513 177.584 -0.355 0.000 1.182 35 A CA 1.352 53.106 52.037 -0.472 0.000 0.633 35 A CB -0.240 18.121 19.000 -1.066 0.000 0.819 35 A HN 0.625 nan 8.150 nan 0.000 0.448 36 R N -0.605 119.763 120.500 -0.220 0.000 2.531 36 R HA 0.298 4.638 4.340 -0.000 0.000 0.260 36 R C 0.269 176.545 176.300 -0.039 0.000 1.144 36 R CA 0.128 56.178 56.100 -0.082 0.000 1.171 36 R CB 0.110 30.404 30.300 -0.010 0.000 1.199 36 R HN 0.474 nan 8.270 nan 0.000 0.594 37 D N -0.001 120.397 120.400 -0.004 0.000 2.319 37 D HA -0.011 4.629 4.640 -0.000 0.000 0.230 37 D C -0.263 176.053 176.300 0.027 0.000 1.094 37 D CA -0.017 53.988 54.000 0.008 0.000 0.856 37 D CB -0.021 40.788 40.800 0.015 0.000 0.915 37 D HN 0.397 nan 8.370 nan 0.000 0.517 38 R N -0.957 119.564 120.500 0.036 0.000 2.774 38 R HA 0.617 4.957 4.340 -0.000 0.000 0.272 38 R C -0.373 175.961 176.300 0.056 0.000 1.000 38 R CA -1.143 54.996 56.100 0.064 0.000 0.906 38 R CB 1.348 31.724 30.300 0.127 0.000 1.227 38 R HN -0.105 nan 8.270 nan 0.000 0.468 39 V N -1.335 118.613 119.914 0.056 0.000 3.369 39 V HA 0.858 4.978 4.120 -0.000 0.000 0.309 39 V C 0.998 177.152 176.094 0.100 0.000 1.069 39 V CA 0.439 62.771 62.300 0.054 0.000 1.042 39 V CB 0.683 32.520 31.823 0.024 0.000 1.192 39 V HN 1.149 nan 8.190 nan 0.000 0.447 40 G N -1.235 107.622 108.800 0.095 0.000 2.561 40 G HA2 0.202 4.162 3.960 -0.000 0.000 0.203 40 G HA3 0.202 4.162 3.960 -0.000 0.000 0.203 40 G C 1.572 176.561 174.900 0.149 0.000 1.101 40 G CA 0.787 45.965 45.100 0.130 0.000 0.711 40 G HN 2.592 nan 8.290 nan 0.000 0.511 41 G N 0.721 109.628 108.800 0.178 0.000 2.602 41 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.310 41 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.310 41 G C 0.946 175.997 174.900 0.251 0.000 1.183 41 G CA 1.477 46.696 45.100 0.198 0.000 0.979 41 G HN 1.225 nan 8.290 nan 0.000 0.545 42 R N 1.862 122.402 120.500 0.065 0.000 2.339 42 R HA 0.199 4.539 4.340 -0.000 0.000 0.199 42 R C 1.160 177.325 176.300 -0.225 0.000 1.018 42 R CA 1.145 57.082 56.100 -0.272 0.000 1.036 42 R CB -0.273 29.861 30.300 -0.277 0.000 0.899 42 R HN 0.733 nan 8.270 nan 0.000 0.473 43 T N -2.769 111.832 114.554 0.079 0.000 2.895 43 T HA 0.414 4.764 4.350 -0.000 0.000 0.283 43 T C -0.968 173.969 174.700 0.394 0.000 1.014 43 T CA -0.688 61.515 62.100 0.171 0.000 1.037 43 T CB 1.728 70.663 68.868 0.110 0.000 1.006 43 T HN 0.142 nan 8.240 nan 0.000 0.468 44 Y N 0.815 121.265 120.300 0.251 0.000 2.299 44 Y HA 0.405 4.955 4.550 0.000 0.000 0.318 44 Y C -1.281 174.737 175.900 0.197 0.000 1.205 44 Y CA -0.605 57.644 58.100 0.249 0.000 1.106 44 Y CB 1.431 40.105 38.460 0.358 0.000 1.246 44 Y HN 0.916 nan 8.280 nan 0.000 0.415 45 T N 7.640 121.985 114.554 -0.348 0.000 2.756 45 T HA 0.447 4.797 4.350 -0.000 0.000 0.290 45 T C -0.749 173.611 174.700 -0.566 0.000 0.985 45 T CA -0.429 61.506 62.100 -0.274 0.000 0.955 45 T CB 0.679 69.492 68.868 -0.091 0.000 0.930 45 T HN 0.628 nan 8.240 nan 0.000 0.451 46 L N 4.084 125.040 121.223 -0.445 0.000 2.312 46 L HA 0.729 5.069 4.340 -0.000 0.000 0.281 46 L C -0.287 176.515 176.870 -0.113 0.000 1.070 46 L CA -0.239 54.409 54.840 -0.319 0.000 0.805 46 L CB 0.630 42.645 42.059 -0.074 0.000 1.174 46 L HN 0.411 nan 8.230 nan 0.000 0.434 47 R N 3.300 123.752 120.500 -0.080 0.000 2.637 47 R HA 0.689 5.029 4.340 -0.000 0.000 0.291 47 R C -1.169 175.103 176.300 -0.045 0.000 0.963 47 R CA -0.556 55.520 56.100 -0.041 0.000 0.901 47 R CB 1.542 31.826 30.300 -0.027 0.000 1.160 47 R HN 0.956 nan 8.270 nan 0.000 0.457 48 N N -1.552 117.103 118.700 -0.076 0.000 3.127 48 N HA -0.012 4.728 4.740 -0.000 0.000 0.239 48 N C -0.240 175.196 175.510 -0.123 0.000 1.407 48 N CA -0.878 52.119 53.050 -0.087 0.000 0.891 48 N CB 0.707 39.146 38.487 -0.079 0.000 1.447 48 N HN 0.364 nan 8.380 nan 0.000 0.507 49 Q N -0.220 119.521 119.800 -0.097 0.000 2.135 49 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 49 Q C 0.555 176.500 176.000 -0.092 0.000 0.981 49 Q CA 1.447 57.208 55.803 -0.069 0.000 0.856 49 Q CB 0.030 28.741 28.738 -0.046 0.000 0.902 49 Q HN 0.557 nan 8.270 nan 0.000 0.425 50 K N -0.162 120.090 120.400 -0.246 0.000 2.103 50 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 50 K C 1.984 178.381 176.600 -0.339 0.000 1.052 50 K CA 1.355 57.408 56.287 -0.390 0.000 0.945 50 K CB 0.110 32.049 32.500 -0.934 0.000 0.722 50 K HN 0.297 nan 8.250 nan 0.000 0.443 51 V N -2.148 117.496 119.914 -0.449 0.000 3.643 51 V HA 0.186 4.306 4.120 -0.000 0.000 0.280 51 V C 1.408 177.021 176.094 -0.802 0.000 1.351 51 V CA 0.602 62.593 62.300 -0.514 0.000 1.073 51 V CB 0.083 31.681 31.823 -0.375 0.000 0.863 51 V HN 0.308 nan 8.190 nan 0.000 0.436 52 K N 0.915 120.909 120.400 -0.677 0.000 11.208 52 K HA -0.320 4.000 4.320 -0.000 0.000 0.528 52 K C 0.195 176.680 176.600 -0.191 0.000 0.393 52 K CA 2.656 58.649 56.287 -0.490 0.000 1.921 52 K CB -1.569 30.501 32.500 -0.716 0.000 0.787 52 K HN 0.936 nan 8.250 nan 0.000 1.252 53 Y N -1.687 118.459 120.300 -0.256 0.000 2.588 53 Y HA 0.771 5.321 4.550 -0.000 0.000 0.343 53 Y C -1.096 174.769 175.900 -0.059 0.000 1.065 53 Y CA -0.728 57.293 58.100 -0.132 0.000 1.038 53 Y CB 2.122 40.525 38.460 -0.094 0.000 1.297 53 Y HN 0.093 nan 8.280 nan 0.000 0.467 54 V N 1.989 121.975 119.914 0.121 0.000 2.924 54 V HA 0.317 4.437 4.120 -0.000 0.000 0.300 54 V C -1.683 174.498 176.094 0.144 0.000 1.227 54 V CA -0.682 61.695 62.300 0.129 0.000 0.954 54 V CB 2.044 33.963 31.823 0.159 0.000 1.055 54 V HN 0.952 nan 8.190 nan 0.000 0.429 55 D N 5.522 126.019 120.400 0.162 0.000 2.317 55 D HA 0.331 4.971 4.640 -0.000 0.000 0.252 55 D C 0.729 177.157 176.300 0.214 0.000 1.174 55 D CA 0.128 54.221 54.000 0.155 0.000 0.866 55 D CB 1.998 42.862 40.800 0.108 0.000 1.127 55 D HN 0.515 nan 8.370 nan 0.000 0.467 56 L N 1.368 122.789 121.223 0.331 0.000 2.616 56 L HA 0.248 4.588 4.340 -0.000 0.000 0.229 56 L C 1.406 178.707 176.870 0.718 0.000 1.110 56 L CA -0.049 55.074 54.840 0.471 0.000 0.884 56 L CB 0.460 42.815 42.059 0.494 0.000 1.115 56 L HN 0.339 nan 8.230 nan 0.000 0.481 57 G N -0.706 108.435 108.800 0.570 0.000 3.264 57 G HA2 0.438 4.398 3.960 -0.000 0.000 0.168 57 G HA3 0.438 4.398 3.960 -0.000 0.000 0.168 57 G C -0.198 174.747 174.900 0.074 0.000 1.145 57 G CA -0.097 45.148 45.100 0.241 0.000 0.855 57 G HN 0.043 nan 8.290 nan 0.000 0.629 58 G N -0.637 108.120 108.800 -0.073 0.000 2.257 58 G HA2 0.354 4.314 3.960 -0.000 0.000 0.235 58 G HA3 0.354 4.314 3.960 -0.000 0.000 0.235 58 G C 0.544 175.452 174.900 0.013 0.000 1.225 58 G CA 1.056 46.133 45.100 -0.038 0.000 0.878 58 G HN 0.968 nan 8.290 nan 0.000 0.505 59 S N 1.356 117.027 115.700 -0.049 0.000 3.916 59 S HA 0.158 4.628 4.470 -0.000 0.000 0.231 59 S C 0.156 174.571 174.600 -0.308 0.000 1.161 59 S CA -0.381 57.702 58.200 -0.194 0.000 0.938 59 S CB -0.248 62.698 63.200 -0.424 0.000 1.170 59 S HN 0.489 nan 8.310 nan 0.000 0.508 60 Y N 3.148 123.438 120.300 -0.016 0.000 2.425 60 Y HA 0.451 5.001 4.550 0.000 0.000 0.331 60 Y C 0.266 176.052 175.900 -0.190 0.000 1.157 60 Y CA -0.031 58.005 58.100 -0.106 0.000 1.372 60 Y CB 0.909 39.348 38.460 -0.036 0.000 1.253 60 Y HN 0.159 nan 8.280 nan 0.000 0.536 61 V N 0.114 119.922 119.914 -0.176 0.000 2.962 61 V HA 1.077 5.197 4.120 -0.000 0.000 0.313 61 V C -0.240 175.678 176.094 -0.293 0.000 1.099 61 V CA -0.514 61.601 62.300 -0.308 0.000 0.971 61 V CB 1.585 33.145 31.823 -0.439 0.000 1.028 61 V HN 0.900 nan 8.190 nan 0.000 0.430 62 G N 1.208 109.789 108.800 -0.365 0.000 2.749 62 G HA2 0.772 4.732 3.960 -0.000 0.000 0.300 62 G HA3 0.772 4.732 3.960 -0.000 0.000 0.300 62 G C -3.437 171.314 174.900 -0.249 0.000 1.352 62 G CA -1.595 43.342 45.100 -0.273 0.000 0.789 62 G HN 0.643 nan 8.290 nan 0.000 0.509 63 P HA 0.188 nan 4.420 nan 0.000 0.269 63 P C 0.608 177.888 177.300 -0.032 0.000 1.209 63 P CA 1.851 64.912 63.100 -0.065 0.000 0.776 63 P CB 0.935 32.628 31.700 -0.013 0.000 0.876 64 T N -1.699 112.867 114.554 0.020 0.000 5.979 64 T HA -0.255 4.095 4.350 -0.000 0.000 0.273 64 T C 0.227 174.954 174.700 0.045 0.000 2.195 64 T CA 0.765 62.959 62.100 0.157 0.000 3.693 64 T CB -2.689 66.413 68.868 0.391 0.000 0.944 64 T HN 0.565 nan 8.240 nan 0.000 1.117 65 Q N 1.093 120.738 119.800 -0.259 0.000 3.135 65 Q HA 0.370 4.710 4.340 -0.000 0.000 0.344 65 Q C 0.807 176.710 176.000 -0.161 0.000 1.321 65 Q CA -0.510 55.044 55.803 -0.415 0.000 1.050 65 Q CB 0.246 28.557 28.738 -0.712 0.000 1.498 65 Q HN 0.464 nan 8.270 nan 0.000 0.503 66 N N 0.529 119.205 118.700 -0.040 0.000 2.457 66 N HA -0.043 4.697 4.740 -0.000 0.000 0.180 66 N C 1.138 176.661 175.510 0.021 0.000 1.050 66 N CA 0.740 53.794 53.050 0.007 0.000 0.906 66 N CB 0.348 38.863 38.487 0.048 0.000 0.968 66 N HN 0.357 nan 8.380 nan 0.000 0.445 67 R N 0.353 120.868 120.500 0.025 0.000 2.057 67 R HA 0.098 4.438 4.340 -0.000 0.000 0.224 67 R C 1.982 178.301 176.300 0.032 0.000 1.136 67 R CA 0.395 56.518 56.100 0.039 0.000 0.968 67 R CB -0.350 29.986 30.300 0.060 0.000 0.863 67 R HN 0.033 nan 8.270 nan 0.000 0.433 68 I N 1.364 121.949 120.570 0.024 0.000 2.335 68 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 68 I C 1.763 177.946 176.117 0.110 0.000 1.129 68 I CA 1.511 62.848 61.300 0.062 0.000 1.402 68 I CB -0.045 38.007 38.000 0.086 0.000 1.069 68 I HN 0.132 nan 8.210 nan 0.000 0.424 69 L N -0.244 121.028 121.223 0.083 0.000 2.095 69 L HA -0.109 4.231 4.340 -0.000 0.000 0.204 69 L C 2.708 179.624 176.870 0.076 0.000 1.080 69 L CA 0.935 55.842 54.840 0.111 0.000 0.759 69 L CB -0.732 41.350 42.059 0.037 0.000 0.914 69 L HN 0.209 nan 8.230 nan 0.000 0.439 70 R N 0.749 121.276 120.500 0.044 0.000 2.083 70 R HA -0.223 4.117 4.340 -0.000 0.000 0.237 70 R C 2.275 178.586 176.300 0.018 0.000 1.137 70 R CA 1.874 57.992 56.100 0.031 0.000 0.951 70 R CB -0.615 29.702 30.300 0.028 0.000 0.851 70 R HN 0.258 nan 8.270 nan 0.000 0.434 71 L N 0.785 122.015 121.223 0.011 0.000 2.027 71 L HA -0.004 4.336 4.340 -0.000 0.000 0.206 71 L C 2.364 179.203 176.870 -0.053 0.000 1.074 71 L CA 2.290 57.120 54.840 -0.016 0.000 0.745 71 L CB -0.789 41.259 42.059 -0.018 0.000 0.898 71 L HN 0.205 nan 8.230 nan 0.000 0.433 72 A N -0.727 122.048 122.820 -0.074 0.000 1.969 72 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 72 A C 2.434 179.972 177.584 -0.076 0.000 1.169 72 A CA 1.682 53.612 52.037 -0.178 0.000 0.635 72 A CB -0.582 18.170 19.000 -0.414 0.000 0.810 72 A HN 0.502 nan 8.150 nan 0.000 0.445 73 K N -0.185 120.219 120.400 0.006 0.000 2.026 73 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 73 K C 2.065 178.662 176.600 -0.005 0.000 1.048 73 K CA 1.717 58.015 56.287 0.018 0.000 0.929 73 K CB -0.193 32.329 32.500 0.035 0.000 0.713 73 K HN 0.618 nan 8.250 nan 0.000 0.439 74 E N 0.481 120.674 120.200 -0.011 0.000 2.118 74 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 74 E C 1.690 178.274 176.600 -0.027 0.000 0.992 74 E CA 1.052 57.444 56.400 -0.013 0.000 0.804 74 E CB -0.011 29.683 29.700 -0.010 0.000 0.741 74 E HN 0.337 nan 8.360 nan 0.000 0.458 75 L N -0.654 120.540 121.223 -0.049 0.000 2.610 75 L HA 0.114 4.454 4.340 -0.000 0.000 0.232 75 L C 1.411 178.244 176.870 -0.063 0.000 1.149 75 L CA 0.499 55.300 54.840 -0.065 0.000 0.872 75 L CB 0.156 42.156 42.059 -0.099 0.000 0.992 75 L HN 0.404 nan 8.230 nan 0.000 0.447 76 G N -0.105 108.668 108.800 -0.045 0.000 2.141 76 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.231 76 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.231 76 G C 0.161 175.042 174.900 -0.031 0.000 0.984 76 G CA -0.336 44.746 45.100 -0.031 0.000 0.660 76 G HN 0.198 nan 8.290 nan 0.000 0.525 77 L N 0.058 121.252 121.223 -0.047 0.000 2.399 77 L HA 0.673 5.013 4.340 -0.000 0.000 0.266 77 L C 0.608 177.527 176.870 0.081 0.000 1.114 77 L CA -0.526 54.297 54.840 -0.028 0.000 0.804 77 L CB 1.023 42.979 42.059 -0.171 0.000 1.146 77 L HN 0.176 nan 8.230 nan 0.000 0.451 78 E N 0.102 120.386 120.200 0.140 0.000 2.227 78 E HA 0.390 4.740 4.350 -0.000 0.000 0.268 78 E C -0.785 175.964 176.600 0.248 0.000 0.907 78 E CA -0.672 55.828 56.400 0.168 0.000 0.786 78 E CB 2.284 32.054 29.700 0.117 0.000 1.191 78 E HN 0.647 nan 8.360 nan 0.000 0.411 79 T N -0.861 113.786 114.554 0.155 0.000 2.934 79 T HA 0.548 4.898 4.350 -0.000 0.000 0.283 79 T C -0.624 174.153 174.700 0.129 0.000 1.005 79 T CA -0.676 61.446 62.100 0.035 0.000 1.041 79 T CB 0.519 69.290 68.868 -0.160 0.000 1.042 79 T HN 0.493 nan 8.240 nan 0.000 0.505 80 Y N -1.089 119.205 120.300 -0.010 0.000 2.570 80 Y HA 0.716 5.266 4.550 0.000 0.000 0.345 80 Y C -0.519 175.380 175.900 -0.002 0.000 1.014 80 Y CA -1.536 56.571 58.100 0.012 0.000 1.063 80 Y CB 1.536 40.025 38.460 0.048 0.000 1.272 80 Y HN 0.591 nan 8.280 nan 0.000 0.477 81 K N 2.528 122.953 120.400 0.042 0.000 2.297 81 K HA 0.387 4.707 4.320 -0.000 0.000 0.286 81 K C -0.842 175.768 176.600 0.015 0.000 1.053 81 K CA -0.714 55.552 56.287 -0.035 0.000 0.940 81 K CB 1.562 34.078 32.500 0.025 0.000 1.019 81 K HN 0.613 nan 8.250 nan 0.000 0.475 82 V N 3.554 123.425 119.914 -0.072 0.000 2.599 82 V HA -0.108 4.012 4.120 -0.000 0.000 0.300 82 V C 0.542 176.666 176.094 0.050 0.000 1.034 82 V CA -0.076 62.234 62.300 0.018 0.000 1.115 82 V CB 0.346 32.174 31.823 0.008 0.000 0.934 82 V HN 0.744 nan 8.190 nan 0.000 0.485 83 N N 3.885 122.644 118.700 0.098 0.000 2.468 83 N HA 0.076 4.816 4.740 -0.000 0.000 0.265 83 N C 0.220 175.746 175.510 0.027 0.000 1.199 83 N CA 0.277 53.375 53.050 0.080 0.000 0.928 83 N CB 0.378 38.936 38.487 0.120 0.000 1.059 83 N HN 0.844 nan 8.380 nan 0.000 0.467 84 E N 3.196 123.400 120.200 0.007 0.000 3.293 84 E HA 0.091 4.441 4.350 -0.000 0.000 0.174 84 E C -0.072 176.513 176.600 -0.025 0.000 0.958 84 E CA -0.046 56.338 56.400 -0.027 0.000 1.352 84 E CB 0.135 29.803 29.700 -0.053 0.000 1.066 84 E HN 0.468 nan 8.360 nan 0.000 0.448 85 V N 0.553 120.466 119.914 -0.003 0.000 2.358 85 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 85 V C 0.978 177.065 176.094 -0.012 0.000 1.047 85 V CA 1.674 63.970 62.300 -0.007 0.000 1.035 85 V CB -0.092 31.732 31.823 0.001 0.000 0.658 85 V HN 0.266 nan 8.190 nan 0.000 0.452 86 E N -0.875 119.325 120.200 0.001 0.000 3.262 86 E HA 0.425 4.775 4.350 -0.000 0.000 0.257 86 E C 0.211 176.807 176.600 -0.007 0.000 1.195 86 E CA -0.662 55.740 56.400 0.004 0.000 1.160 86 E CB 0.304 30.020 29.700 0.027 0.000 1.416 86 E HN 0.293 nan 8.360 nan 0.000 0.630 87 R N 0.090 120.607 120.500 0.029 0.000 2.500 87 R HA 0.381 4.721 4.340 -0.000 0.000 0.275 87 R C -0.543 175.708 176.300 -0.081 0.000 1.051 87 R CA -0.674 55.420 56.100 -0.011 0.000 1.088 87 R CB 0.235 30.588 30.300 0.088 0.000 1.063 87 R HN 0.154 nan 8.270 nan 0.000 0.511 88 L N 1.890 122.883 121.223 -0.384 0.000 2.439 88 L HA 0.413 4.753 4.340 -0.000 0.000 0.259 88 L C 0.151 176.818 176.870 -0.338 0.000 1.129 88 L CA 0.053 54.572 54.840 -0.535 0.000 0.803 88 L CB 0.456 41.877 42.059 -1.064 0.000 1.161 88 L HN 0.451 nan 8.230 nan 0.000 0.462 89 I N 0.148 120.656 120.570 -0.102 0.000 2.466 89 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 89 I C -0.670 175.722 176.117 0.458 0.000 1.026 89 I CA -0.446 60.946 61.300 0.153 0.000 1.078 89 I CB 1.486 39.430 38.000 -0.094 0.000 1.249 89 I HN 0.559 nan 8.210 nan 0.000 0.429 90 H N 5.445 124.828 119.070 0.523 0.000 2.541 90 H HA 0.303 4.859 4.556 -0.000 0.000 0.316 90 H C -1.180 174.378 175.328 0.384 0.000 1.043 90 H CA -0.733 55.573 56.048 0.429 0.000 1.232 90 H CB 0.883 30.821 29.762 0.294 0.000 1.406 90 H HN 0.596 nan 8.280 nan 0.000 0.469 91 H N 4.688 123.915 119.070 0.260 0.000 2.597 91 H HA 0.337 4.893 4.556 0.000 0.000 0.303 91 H C -1.306 174.023 175.328 0.002 0.000 1.057 91 H CA -0.422 55.682 56.048 0.094 0.000 1.261 91 H CB 0.474 30.290 29.762 0.089 0.000 1.397 91 H HN 0.275 nan 8.280 nan 0.000 0.461 92 V N 6.408 126.215 119.914 -0.178 0.000 2.487 92 V HA 0.173 4.293 4.120 -0.000 0.000 0.298 92 V C -0.066 175.986 176.094 -0.070 0.000 1.028 92 V CA -1.186 61.044 62.300 -0.117 0.000 0.860 92 V CB 1.598 33.345 31.823 -0.127 0.000 0.991 92 V HN 0.882 nan 8.190 nan 0.000 0.427 93 K N 3.994 124.376 120.400 -0.029 0.000 3.540 93 K HA -0.243 4.077 4.320 -0.000 0.000 0.274 93 K C 1.090 177.649 176.600 -0.069 0.000 0.890 93 K CA 0.957 57.238 56.287 -0.009 0.000 0.701 93 K CB -1.262 31.252 32.500 0.023 0.000 1.523 93 K HN 1.697 nan 8.250 nan 0.000 0.450 94 G N -0.288 108.423 108.800 -0.147 0.000 2.148 94 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.254 94 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.254 94 G C -0.205 174.477 174.900 -0.364 0.000 0.981 94 G CA 0.993 46.012 45.100 -0.136 0.000 0.670 94 G HN 0.436 nan 8.290 nan 0.000 0.528 95 K N -0.315 119.661 120.400 -0.707 0.000 2.498 95 K HA 0.633 4.953 4.320 -0.000 0.000 0.254 95 K C -0.734 175.407 176.600 -0.764 0.000 0.933 95 K CA -0.649 55.272 56.287 -0.611 0.000 0.806 95 K CB 2.034 34.264 32.500 -0.449 0.000 1.301 95 K HN 0.044 nan 8.250 nan 0.000 0.432 96 S N 1.654 117.078 115.700 -0.460 0.000 2.438 96 S HA 0.354 4.824 4.470 -0.000 0.000 0.293 96 S C -1.229 173.160 174.600 -0.350 0.000 1.141 96 S CA -0.509 57.585 58.200 -0.176 0.000 1.080 96 S CB 0.070 63.297 63.200 0.045 0.000 0.978 96 S HN 0.369 nan 8.310 nan 0.000 0.479 97 Y N 3.667 124.071 120.300 0.173 0.000 2.478 97 Y HA 0.337 4.887 4.550 0.000 0.000 0.329 97 Y C -2.335 173.782 175.900 0.363 0.000 0.967 97 Y CA -2.447 55.798 58.100 0.242 0.000 1.255 97 Y CB 0.732 39.329 38.460 0.229 0.000 1.103 97 Y HN 0.464 nan 8.280 nan 0.000 0.497 98 P HA 0.169 nan 4.420 nan 0.000 0.271 98 P C -0.889 176.713 177.300 0.503 0.000 1.216 98 P CA -0.018 63.333 63.100 0.417 0.000 0.776 98 P CB 0.468 32.401 31.700 0.388 0.000 0.881 99 F N -0.446 119.633 119.950 0.215 0.000 2.662 99 F HA 0.723 5.250 4.527 0.000 0.000 0.312 99 F C -0.680 175.189 175.800 0.115 0.000 1.113 99 F CA -1.499 56.605 58.000 0.174 0.000 0.951 99 F CB 1.652 40.751 39.000 0.165 0.000 1.344 99 F HN -0.005 nan 8.300 nan 0.000 0.462 100 R N 1.091 121.692 120.500 0.168 0.000 2.664 100 R HA 0.785 5.125 4.340 -0.000 0.000 0.286 100 R C -0.221 176.141 176.300 0.103 0.000 0.967 100 R CA -0.347 55.766 56.100 0.021 0.000 0.933 100 R CB 1.679 32.009 30.300 0.050 0.000 1.146 100 R HN 1.337 nan 8.270 nan 0.000 0.468 101 G N 2.220 111.005 108.800 -0.024 0.000 2.541 101 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 101 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 101 G C -2.148 172.689 174.900 -0.105 0.000 1.286 101 G CA -0.864 44.198 45.100 -0.063 0.000 0.894 101 G HN 0.455 nan 8.290 nan 0.000 0.575 102 P HA 0.060 nan 4.420 nan 0.000 0.216 102 P C 0.621 177.797 177.300 -0.206 0.000 1.153 102 P CA 1.248 64.036 63.100 -0.519 0.000 0.848 102 P CB -0.012 30.958 31.700 -1.217 0.000 0.787 103 F N 1.459 121.474 119.950 0.108 0.000 2.436 103 F HA 0.446 4.974 4.527 0.000 0.000 0.340 103 F C -1.980 173.638 175.800 -0.303 0.000 1.113 103 F CA -3.264 54.675 58.000 -0.102 0.000 1.022 103 F CB 0.924 39.789 39.000 -0.225 0.000 1.128 103 F HN -0.205 nan 8.300 nan 0.000 0.466 104 P HA 0.210 nan 4.420 nan 0.000 0.276 104 P C -2.667 174.253 177.300 -0.633 0.000 1.230 104 P CA -1.402 60.895 63.100 -1.338 0.000 0.776 104 P CB 0.379 31.424 31.700 -1.091 0.000 0.888 105 P HA 0.193 nan 4.420 nan 0.000 0.275 105 P C -0.780 176.118 177.300 -0.671 0.000 1.228 105 P CA -0.069 62.668 63.100 -0.606 0.000 0.786 105 P CB 0.500 31.813 31.700 -0.645 0.000 0.927 106 V N 2.593 122.061 119.914 -0.744 0.000 2.483 106 V HA 0.246 4.366 4.120 -0.000 0.000 0.297 106 V C -0.099 175.705 176.094 -0.484 0.000 1.027 106 V CA -0.243 61.722 62.300 -0.557 0.000 0.855 106 V CB 1.488 32.991 31.823 -0.533 0.000 0.995 106 V HN 0.711 nan 8.190 nan 0.000 0.424 107 W N 1.163 122.437 121.300 -0.043 0.000 2.699 107 W HA 0.198 4.858 4.660 -0.000 0.000 0.265 107 W C 1.372 177.883 176.519 -0.012 0.000 1.210 107 W CA -0.244 57.084 57.345 -0.027 0.000 1.414 107 W CB 0.261 29.687 29.460 -0.057 0.000 1.043 107 W HN 0.518 nan 8.180 nan 0.000 0.599 108 N N 3.202 122.003 118.700 0.168 0.000 2.447 108 N HA -0.043 4.697 4.740 -0.000 0.000 0.263 108 N C -1.224 174.352 175.510 0.109 0.000 1.226 108 N CA -0.599 52.518 53.050 0.112 0.000 0.906 108 N CB 1.271 39.801 38.487 0.073 0.000 1.060 108 N HN -0.098 nan 8.380 nan 0.000 0.468 109 P HA -0.153 nan 4.420 nan 0.000 0.216 109 P C 1.483 178.851 177.300 0.113 0.000 1.150 109 P CA 0.932 64.085 63.100 0.089 0.000 0.837 109 P CB 0.428 32.159 31.700 0.052 0.000 0.786 110 I N 0.110 120.732 120.570 0.087 0.000 2.277 110 I HA -0.110 4.060 4.170 -0.000 0.000 0.243 110 I C 2.304 178.477 176.117 0.093 0.000 1.094 110 I CA 1.516 62.862 61.300 0.077 0.000 1.393 110 I CB -2.173 35.865 38.000 0.063 0.000 1.078 110 I HN -0.002 nan 8.210 nan 0.000 0.417 111 T N 0.753 115.360 114.554 0.089 0.000 2.699 111 T HA -0.285 4.065 4.350 -0.000 0.000 0.268 111 T C 1.896 176.623 174.700 0.046 0.000 1.036 111 T CA 1.778 63.929 62.100 0.085 0.000 1.147 111 T CB -0.744 68.131 68.868 0.013 0.000 0.862 111 T HN 0.275 nan 8.240 nan 0.000 0.446 112 Y N 1.650 121.913 120.300 -0.061 0.000 2.128 112 Y HA -0.129 4.421 4.550 -0.000 0.000 0.284 112 Y C 2.117 178.025 175.900 0.013 0.000 1.154 112 Y CA 1.240 59.298 58.100 -0.069 0.000 1.149 112 Y CB -0.440 37.977 38.460 -0.072 0.000 0.976 112 Y HN 0.133 nan 8.280 nan 0.000 0.505 113 L N -0.496 120.824 121.223 0.163 0.000 2.093 113 L HA -0.187 4.152 4.340 -0.000 0.000 0.208 113 L C 2.127 179.003 176.870 0.010 0.000 1.085 113 L CA 1.670 56.565 54.840 0.092 0.000 0.755 113 L CB -0.624 41.478 42.059 0.071 0.000 0.904 113 L HN 0.212 nan 8.230 nan 0.000 0.435 114 D N -0.703 119.721 120.400 0.039 0.000 2.097 114 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 114 D C 2.169 178.489 176.300 0.033 0.000 0.989 114 D CA 1.306 55.334 54.000 0.046 0.000 0.827 114 D CB 0.065 40.927 40.800 0.104 0.000 0.966 114 D HN 0.293 nan 8.370 nan 0.000 0.456 115 H N -0.649 118.356 119.070 -0.109 0.000 2.293 115 H HA -0.125 4.431 4.556 -0.000 0.000 0.300 115 H C 2.037 177.323 175.328 -0.070 0.000 1.082 115 H CA 1.399 57.382 56.048 -0.109 0.000 1.308 115 H CB -0.179 29.505 29.762 -0.129 0.000 1.375 115 H HN 0.153 nan 8.280 nan 0.000 0.495 116 N N 1.037 119.693 118.700 -0.074 0.000 2.060 116 N HA -0.202 4.538 4.740 -0.000 0.000 0.195 116 N C 1.684 177.160 175.510 -0.058 0.000 1.028 116 N CA 1.611 54.591 53.050 -0.118 0.000 0.861 116 N CB -0.393 37.984 38.487 -0.183 0.000 1.029 116 N HN 0.313 nan 8.380 nan 0.000 0.428 117 N N -1.280 117.386 118.700 -0.056 0.000 2.396 117 N HA -0.160 4.580 4.740 -0.000 0.000 0.180 117 N C 1.558 177.011 175.510 -0.095 0.000 1.028 117 N CA 0.625 53.633 53.050 -0.070 0.000 0.893 117 N CB -0.144 38.312 38.487 -0.052 0.000 0.967 117 N HN 0.346 nan 8.380 nan 0.000 0.440 118 F N 0.069 119.863 119.950 -0.261 0.000 2.179 118 F HA 0.070 4.597 4.527 -0.000 0.000 0.292 118 F C 1.602 177.154 175.800 -0.414 0.000 1.089 118 F CA 0.896 58.656 58.000 -0.400 0.000 1.295 118 F CB -0.608 38.026 39.000 -0.611 0.000 1.041 118 F HN -0.006 nan 8.300 nan 0.000 0.487 119 W N 0.905 121.927 121.300 -0.463 0.000 2.379 119 W HA -0.054 4.606 4.660 0.000 0.000 0.307 119 W C 2.776 178.995 176.519 -0.500 0.000 1.200 119 W CA 1.342 58.331 57.345 -0.593 0.000 1.297 119 W CB -0.650 28.547 29.460 -0.439 0.000 1.140 119 W HN -0.105 nan 8.180 nan 0.000 0.507 120 R N 0.185 120.599 120.500 -0.144 0.000 2.117 120 R HA -0.179 4.161 4.340 -0.000 0.000 0.243 120 R C 1.717 177.887 176.300 -0.216 0.000 1.143 120 R CA 2.231 58.228 56.100 -0.171 0.000 0.968 120 R CB -0.570 29.641 30.300 -0.149 0.000 0.863 120 R HN 0.089 nan 8.270 nan 0.000 0.444 121 T N 0.884 115.269 114.554 -0.282 0.000 2.896 121 T HA -0.036 4.314 4.350 -0.000 0.000 0.263 121 T C 1.803 176.298 174.700 -0.341 0.000 1.050 121 T CA 0.833 62.770 62.100 -0.271 0.000 1.140 121 T CB -0.016 68.718 68.868 -0.223 0.000 0.877 121 T HN 0.097 nan 8.240 nan 0.000 0.457 122 M N 2.185 121.480 119.600 -0.508 0.000 2.151 122 M HA -0.158 4.322 4.480 -0.000 0.000 0.256 122 M C 1.831 177.969 176.300 -0.270 0.000 1.072 122 M CA 1.694 56.744 55.300 -0.418 0.000 1.090 122 M CB -1.250 31.090 32.600 -0.435 0.000 1.294 122 M HN 0.177 nan 8.290 nan 0.000 0.415 123 D N 0.152 120.412 120.400 -0.233 0.000 2.117 123 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 123 D C 1.649 177.857 176.300 -0.152 0.000 0.982 123 D CA 1.120 55.012 54.000 -0.179 0.000 0.828 123 D CB -0.388 40.315 40.800 -0.162 0.000 0.967 123 D HN 0.305 nan 8.370 nan 0.000 0.464 124 D N 0.453 120.764 120.400 -0.148 0.000 2.106 124 D HA -0.153 4.487 4.640 -0.000 0.000 0.191 124 D C 2.227 178.487 176.300 -0.066 0.000 0.997 124 D CA 0.866 54.806 54.000 -0.101 0.000 0.834 124 D CB -0.321 40.424 40.800 -0.093 0.000 0.956 124 D HN 0.217 nan 8.370 nan 0.000 0.448 125 M N 0.104 119.633 119.600 -0.117 0.000 2.082 125 M HA -0.116 4.364 4.480 -0.000 0.000 0.258 125 M C 2.359 178.639 176.300 -0.032 0.000 1.069 125 M CA 1.951 57.173 55.300 -0.131 0.000 1.102 125 M CB -0.638 31.674 32.600 -0.480 0.000 1.336 125 M HN 0.086 nan 8.290 nan 0.000 0.404 126 G N -0.364 108.374 108.800 -0.103 0.000 2.443 126 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 126 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 126 G C 1.545 176.421 174.900 -0.039 0.000 1.131 126 G CA 0.417 45.475 45.100 -0.070 0.000 0.775 126 G HN 0.397 nan 8.290 nan 0.000 0.547 127 R N 0.174 120.647 120.500 -0.046 0.000 2.303 127 R HA -0.029 4.311 4.340 -0.000 0.000 0.225 127 R C 1.466 177.765 176.300 -0.003 0.000 1.114 127 R CA 0.905 56.980 56.100 -0.041 0.000 1.007 127 R CB 0.087 30.360 30.300 -0.046 0.000 0.861 127 R HN 0.303 nan 8.270 nan 0.000 0.471 128 E N -0.098 120.140 120.200 0.063 0.000 2.476 128 E HA 0.116 4.466 4.350 -0.000 0.000 0.196 128 E C -0.169 176.473 176.600 0.072 0.000 1.029 128 E CA 0.211 56.657 56.400 0.078 0.000 0.896 128 E CB 0.618 30.403 29.700 0.141 0.000 1.012 128 E HN 0.290 nan 8.360 nan 0.000 0.475 129 I N 2.690 123.304 120.570 0.073 0.000 2.354 129 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 129 I C -2.463 173.655 176.117 0.002 0.000 1.007 129 I CA -2.394 58.947 61.300 0.070 0.000 1.167 129 I CB 1.627 39.724 38.000 0.161 0.000 1.320 129 I HN -0.319 nan 8.210 nan 0.000 0.458 130 P HA 0.099 nan 4.420 nan 0.000 0.268 130 P C 0.436 177.711 177.300 -0.043 0.000 1.204 130 P CA 0.186 63.220 63.100 -0.110 0.000 0.768 130 P CB 0.874 32.453 31.700 -0.202 0.000 0.842 131 S N 1.743 117.427 115.700 -0.026 0.000 2.383 131 S HA -0.145 4.325 4.470 -0.000 0.000 0.227 131 S C 1.281 175.991 174.600 0.184 0.000 1.026 131 S CA 1.703 59.970 58.200 0.112 0.000 0.981 131 S CB -0.555 62.622 63.200 -0.038 0.000 0.818 131 S HN 0.680 nan 8.310 nan 0.000 0.472 132 D N 0.485 120.839 120.400 -0.076 0.000 2.350 132 D HA 0.214 4.854 4.640 -0.000 0.000 0.213 132 D C 0.366 176.441 176.300 -0.375 0.000 1.031 132 D CA 0.379 54.287 54.000 -0.153 0.000 0.861 132 D CB 0.082 40.720 40.800 -0.270 0.000 0.926 132 D HN 0.261 nan 8.370 nan 0.000 0.520 133 A N 0.916 123.365 122.820 -0.618 0.000 3.422 133 A HA 0.407 4.727 4.320 -0.000 0.000 0.271 133 A C -2.093 174.728 177.584 -1.271 0.000 1.104 133 A CA -0.830 50.377 52.037 -1.383 0.000 0.899 133 A CB 0.969 19.426 19.000 -0.905 0.000 1.309 133 A HN -0.116 nan 8.150 nan 0.000 0.580 134 P HA -0.191 nan 4.420 nan 0.000 0.215 134 P C 1.357 178.485 177.300 -0.286 0.000 1.153 134 P CA 1.647 64.486 63.100 -0.436 0.000 0.853 134 P CB -0.371 31.090 31.700 -0.399 0.000 0.788 135 W N 0.805 122.048 121.300 -0.095 0.000 2.560 135 W HA 0.013 4.673 4.660 -0.000 0.000 0.252 135 W C 1.364 177.851 176.519 -0.054 0.000 1.242 135 W CA 0.590 57.897 57.345 -0.062 0.000 1.242 135 W CB -1.575 27.841 29.460 -0.073 0.000 1.136 135 W HN -0.053 nan 8.180 nan 0.000 0.625 136 K N 0.635 120.863 120.400 -0.286 0.000 2.367 136 K HA 0.294 4.614 4.320 -0.000 0.000 0.194 136 K C 1.213 177.734 176.600 -0.133 0.000 1.027 136 K CA 0.254 56.435 56.287 -0.177 0.000 1.075 136 K CB -0.055 32.280 32.500 -0.275 0.000 0.845 136 K HN 0.098 nan 8.250 nan 0.000 0.529 137 A N 2.471 125.217 122.820 -0.124 0.000 2.587 137 A HA 0.010 4.330 4.320 -0.000 0.000 0.233 137 A C -1.585 175.898 177.584 -0.168 0.000 1.049 137 A CA -0.834 51.136 52.037 -0.110 0.000 0.754 137 A CB -0.034 18.938 19.000 -0.046 0.000 0.977 137 A HN 0.021 nan 8.150 nan 0.000 0.509 138 P HA -0.093 nan 4.420 nan 0.000 0.218 138 P C 0.396 177.514 177.300 -0.303 0.000 1.148 138 P CA 1.237 64.215 63.100 -0.203 0.000 0.822 138 P CB 0.003 31.600 31.700 -0.170 0.000 0.784 139 L N -1.822 119.070 121.223 -0.552 0.000 3.108 139 L HA 0.408 4.748 4.340 -0.000 0.000 0.251 139 L C 1.790 178.261 176.870 -0.665 0.000 1.315 139 L CA -0.419 53.983 54.840 -0.731 0.000 1.048 139 L CB -0.388 40.989 42.059 -1.137 0.000 1.432 139 L HN -0.140 nan 8.230 nan 0.000 0.543 140 A N 0.491 123.128 122.820 -0.305 0.000 1.873 140 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 140 A C 2.198 179.787 177.584 0.007 0.000 1.193 140 A CA 1.797 53.788 52.037 -0.077 0.000 0.629 140 A CB -0.120 18.882 19.000 0.003 0.000 0.826 140 A HN 0.548 nan 8.150 nan 0.000 0.447 141 E N -1.005 119.178 120.200 -0.029 0.000 2.016 141 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 141 E C 2.104 178.730 176.600 0.044 0.000 0.985 141 E CA 1.040 57.454 56.400 0.023 0.000 0.802 141 E CB -0.324 29.375 29.700 -0.001 0.000 0.762 141 E HN 0.813 nan 8.360 nan 0.000 0.448 142 E N 0.414 120.600 120.200 -0.023 0.000 2.113 142 E HA -0.242 4.108 4.350 -0.000 0.000 0.210 142 E C 1.754 178.479 176.600 0.208 0.000 1.040 142 E CA 1.943 58.360 56.400 0.028 0.000 0.847 142 E CB -0.112 29.537 29.700 -0.086 0.000 0.755 142 E HN 0.288 nan 8.360 nan 0.000 0.459 143 W N 0.630 121.971 121.300 0.069 0.000 2.467 143 W HA 0.012 4.672 4.660 0.000 0.000 0.275 143 W C 1.998 178.587 176.519 0.117 0.000 1.239 143 W CA 0.824 58.223 57.345 0.089 0.000 1.266 143 W CB -0.942 28.572 29.460 0.089 0.000 1.112 143 W HN 0.275 nan 8.180 nan 0.000 0.576 144 D N -0.117 120.477 120.400 0.324 0.000 2.194 144 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 144 D C 1.410 177.834 176.300 0.207 0.000 0.964 144 D CA 0.970 55.128 54.000 0.263 0.000 0.846 144 D CB -0.232 40.701 40.800 0.221 0.000 0.962 144 D HN -0.137 nan 8.370 nan 0.000 0.490 145 N N -0.424 118.378 118.700 0.170 0.000 2.571 145 N HA 0.010 4.750 4.740 -0.000 0.000 0.189 145 N C -0.121 175.467 175.510 0.129 0.000 1.154 145 N CA 0.440 53.568 53.050 0.131 0.000 0.907 145 N CB 0.028 38.575 38.487 0.100 0.000 0.977 145 N HN 0.364 nan 8.380 nan 0.000 0.449 146 M N -0.305 119.390 119.600 0.158 0.000 2.456 146 M HA 0.214 4.694 4.480 -0.000 0.000 0.324 146 M C 0.294 176.674 176.300 0.134 0.000 1.124 146 M CA -0.712 54.669 55.300 0.134 0.000 0.959 146 M CB 2.101 34.789 32.600 0.147 0.000 1.692 146 M HN -0.060 nan 8.290 nan 0.000 0.444 147 T N -0.865 113.749 114.554 0.100 0.000 2.788 147 T HA 0.196 4.546 4.350 -0.000 0.000 0.287 147 T C 1.108 175.845 174.700 0.061 0.000 1.007 147 T CA -0.736 61.416 62.100 0.087 0.000 1.005 147 T CB 0.736 69.641 68.868 0.062 0.000 1.012 147 T HN 0.591 nan 8.240 nan 0.000 0.530 148 M N 0.204 119.819 119.600 0.025 0.000 2.279 148 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 148 M C 2.146 178.416 176.300 -0.051 0.000 1.062 148 M CA 1.371 56.651 55.300 -0.033 0.000 1.099 148 M CB -1.320 31.168 32.600 -0.187 0.000 1.394 148 M HN 0.804 nan 8.290 nan 0.000 0.426 149 K N 0.586 120.962 120.400 -0.040 0.000 1.985 149 K HA -0.183 4.137 4.320 -0.000 0.000 0.210 149 K C 1.676 178.259 176.600 -0.028 0.000 1.047 149 K CA 1.731 57.997 56.287 -0.035 0.000 0.932 149 K CB -0.096 32.413 32.500 0.015 0.000 0.716 149 K HN 0.453 nan 8.250 nan 0.000 0.439 150 E N 1.011 121.210 120.200 -0.002 0.000 2.097 150 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 150 E C 2.159 178.756 176.600 -0.005 0.000 1.000 150 E CA 1.249 57.649 56.400 -0.001 0.000 0.804 150 E CB -0.360 29.355 29.700 0.024 0.000 0.740 150 E HN 0.161 nan 8.360 nan 0.000 0.454 151 L N 1.343 122.570 121.223 0.006 0.000 1.971 151 L HA -0.221 4.119 4.340 -0.000 0.000 0.215 151 L C 2.284 179.150 176.870 -0.007 0.000 1.072 151 L CA 1.719 56.561 54.840 0.004 0.000 0.758 151 L CB -0.445 41.615 42.059 0.002 0.000 0.889 151 L HN 0.149 nan 8.230 nan 0.000 0.433 152 L N -0.828 120.371 121.223 -0.041 0.000 2.012 152 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 152 L C 2.243 179.038 176.870 -0.124 0.000 1.073 152 L CA 1.554 56.324 54.840 -0.116 0.000 0.748 152 L CB -0.955 40.985 42.059 -0.198 0.000 0.891 152 L HN 0.328 nan 8.230 nan 0.000 0.431 153 D N -0.172 120.165 120.400 -0.105 0.000 2.218 153 D HA -0.182 4.457 4.640 -0.000 0.000 0.204 153 D C 2.117 178.339 176.300 -0.130 0.000 0.976 153 D CA 1.064 54.992 54.000 -0.121 0.000 0.853 153 D CB 0.013 40.753 40.800 -0.100 0.000 0.939 153 D HN 0.264 nan 8.370 nan 0.000 0.481 154 K N -0.080 120.276 120.400 -0.074 0.000 2.116 154 K HA -0.004 4.316 4.320 -0.000 0.000 0.203 154 K C 1.861 178.469 176.600 0.014 0.000 1.052 154 K CA 0.336 56.597 56.287 -0.044 0.000 0.952 154 K CB 0.212 32.719 32.500 0.011 0.000 0.729 154 K HN 0.033 nan 8.250 nan 0.000 0.446 155 L N 0.809 122.060 121.223 0.047 0.000 2.202 155 L HA 0.049 4.389 4.340 -0.000 0.000 0.205 155 L C 0.392 177.385 176.870 0.205 0.000 1.083 155 L CA 0.561 55.489 54.840 0.145 0.000 0.790 155 L CB 0.107 42.255 42.059 0.148 0.000 0.942 155 L HN 0.226 nan 8.230 nan 0.000 0.452 156 C N -0.310 119.012 119.300 0.037 0.000 2.281 156 C HA 0.116 4.576 4.460 -0.000 0.000 0.336 156 C C 1.026 176.046 174.990 0.049 0.000 1.217 156 C CA -1.019 58.004 59.018 0.008 0.000 1.730 156 C CB -1.052 26.565 27.740 -0.205 0.000 2.338 156 C HN 0.473 nan 8.230 nan 0.000 0.521 157 W N 1.868 123.127 121.300 -0.068 0.000 3.047 157 W HA 0.107 4.767 4.660 -0.000 0.000 0.250 157 W C 1.416 177.914 176.519 -0.035 0.000 1.314 157 W CA 0.182 57.503 57.345 -0.041 0.000 1.540 157 W CB -0.218 29.229 29.460 -0.021 0.000 1.127 157 W HN 0.663 nan 8.180 nan 0.000 0.679 158 T N -3.443 111.193 114.554 0.136 0.000 2.856 158 T HA 0.291 4.641 4.350 -0.000 0.000 0.283 158 T C 0.838 175.540 174.700 0.004 0.000 1.008 158 T CA -0.649 61.497 62.100 0.077 0.000 0.997 158 T CB 2.599 71.532 68.868 0.109 0.000 0.992 158 T HN -0.231 nan 8.240 nan 0.000 0.454 159 E N 1.348 121.550 120.200 0.003 0.000 2.118 159 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 159 E C 2.150 178.745 176.600 -0.009 0.000 0.992 159 E CA 1.401 57.789 56.400 -0.020 0.000 0.804 159 E CB -0.389 29.308 29.700 -0.005 0.000 0.741 159 E HN 0.770 nan 8.360 nan 0.000 0.458 160 S N 0.414 116.142 115.700 0.046 0.000 2.356 160 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 160 S C 2.080 176.721 174.600 0.069 0.000 1.032 160 S CA 1.546 59.814 58.200 0.114 0.000 1.005 160 S CB -0.084 63.227 63.200 0.185 0.000 0.867 160 S HN 0.279 nan 8.310 nan 0.000 0.449 161 A N 1.040 123.821 122.820 -0.064 0.000 1.969 161 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 161 A C 2.188 179.447 177.584 -0.542 0.000 1.169 161 A CA 1.541 53.238 52.037 -0.566 0.000 0.635 161 A CB -0.581 18.075 19.000 -0.573 0.000 0.810 161 A HN 0.620 nan 8.150 nan 0.000 0.445 162 K N -0.411 119.784 120.400 -0.343 0.000 2.155 162 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 162 K C 2.098 178.553 176.600 -0.241 0.000 1.052 162 K CA 1.284 57.368 56.287 -0.338 0.000 0.948 162 K CB -0.101 32.265 32.500 -0.223 0.000 0.728 162 K HN 0.674 nan 8.250 nan 0.000 0.448 163 Q N 0.375 120.095 119.800 -0.134 0.000 2.049 163 Q HA -0.148 4.192 4.340 -0.000 0.000 0.198 163 Q C 2.100 178.088 176.000 -0.021 0.000 0.971 163 Q CA 1.134 56.912 55.803 -0.043 0.000 0.833 163 Q CB -0.119 28.637 28.738 0.030 0.000 0.896 163 Q HN 0.168 nan 8.270 nan 0.000 0.434 164 L N 0.834 122.037 121.223 -0.033 0.000 2.056 164 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 164 L C 2.213 179.080 176.870 -0.005 0.000 1.078 164 L CA 1.833 56.707 54.840 0.057 0.000 0.749 164 L CB -0.753 41.382 42.059 0.126 0.000 0.901 164 L HN 0.164 nan 8.230 nan 0.000 0.433 165 A N -1.531 121.094 122.820 -0.325 0.000 1.908 165 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 165 A C 2.282 179.802 177.584 -0.107 0.000 1.181 165 A CA 2.458 54.215 52.037 -0.467 0.000 0.627 165 A CB -1.227 17.024 19.000 -1.248 0.000 0.818 165 A HN 0.514 nan 8.150 nan 0.000 0.445 166 T N -0.106 114.368 114.554 -0.134 0.000 2.737 166 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 166 T C 1.849 176.552 174.700 0.004 0.000 1.038 166 T CA 1.310 63.360 62.100 -0.084 0.000 1.144 166 T CB -0.369 68.451 68.868 -0.081 0.000 0.866 166 T HN 0.351 nan 8.240 nan 0.000 0.434 167 L N 0.284 121.556 121.223 0.081 0.000 2.043 167 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 167 L C 2.197 179.183 176.870 0.194 0.000 1.075 167 L CA 1.600 56.528 54.840 0.147 0.000 0.752 167 L CB -0.397 41.785 42.059 0.205 0.000 0.891 167 L HN 0.248 nan 8.230 nan 0.000 0.432 168 F N -0.453 119.564 119.950 0.111 0.000 2.069 168 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 168 F C 2.160 178.067 175.800 0.177 0.000 1.113 168 F CA 2.088 60.218 58.000 0.217 0.000 1.214 168 F CB -0.755 38.490 39.000 0.408 0.000 0.978 168 F HN -0.156 nan 8.300 nan 0.000 0.474 169 V N 1.361 121.169 119.914 -0.177 0.000 2.287 169 V HA -0.387 3.733 4.120 -0.000 0.000 0.248 169 V C 2.140 178.072 176.094 -0.269 0.000 1.053 169 V CA 2.464 64.452 62.300 -0.519 0.000 1.027 169 V CB -1.236 30.179 31.823 -0.681 0.000 0.646 169 V HN 0.447 nan 8.190 nan 0.000 0.447 170 N N -0.040 118.573 118.700 -0.145 0.000 2.043 170 N HA -0.220 4.520 4.740 -0.000 0.000 0.193 170 N C 1.788 177.260 175.510 -0.064 0.000 1.037 170 N CA 1.432 54.426 53.050 -0.093 0.000 0.851 170 N CB -0.239 38.242 38.487 -0.009 0.000 1.027 170 N HN 0.296 nan 8.380 nan 0.000 0.422 171 L N 1.017 122.246 121.223 0.009 0.000 2.093 171 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 171 L C 2.256 179.206 176.870 0.134 0.000 1.085 171 L CA 1.311 56.198 54.840 0.078 0.000 0.755 171 L CB -0.568 41.538 42.059 0.079 0.000 0.904 171 L HN 0.272 nan 8.230 nan 0.000 0.435 172 C N -1.324 118.005 119.300 0.048 0.000 2.442 172 C HA -0.103 4.357 4.460 -0.000 0.000 0.279 172 C C 2.262 177.344 174.990 0.153 0.000 1.237 172 C CA 1.203 60.294 59.018 0.122 0.000 1.722 172 C CB -0.575 27.157 27.740 -0.013 0.000 2.056 172 C HN 0.518 nan 8.230 nan 0.000 0.469 173 V N -1.218 118.683 119.914 -0.023 0.000 3.085 173 V HA 0.292 4.412 4.120 -0.000 0.000 0.345 173 V C 0.745 176.704 176.094 -0.226 0.000 1.397 173 V CA 0.788 63.035 62.300 -0.087 0.000 1.165 173 V CB -1.414 30.460 31.823 0.085 0.000 1.153 173 V HN 0.631 nan 8.190 nan 0.000 0.495 174 T N -1.437 112.877 114.554 -0.400 0.000 3.622 174 T HA -0.098 4.252 4.350 -0.000 0.000 0.380 174 T C 0.191 174.731 174.700 -0.266 0.000 0.764 174 T CA 1.207 63.065 62.100 -0.403 0.000 1.908 174 T CB -2.478 66.025 68.868 -0.609 0.000 1.771 174 T HN 2.397 nan 8.240 nan 0.000 0.706 175 A N -0.174 122.480 122.820 -0.276 0.000 2.594 175 A HA 0.676 4.996 4.320 -0.000 0.000 0.295 175 A C -0.382 176.982 177.584 -0.367 0.000 1.071 175 A CA -1.092 50.710 52.037 -0.392 0.000 0.685 175 A CB 1.237 19.840 19.000 -0.661 0.000 1.285 175 A HN 0.326 nan 8.150 nan 0.000 0.405 176 E N 0.614 120.555 120.200 -0.431 0.000 2.392 176 E HA 0.222 4.572 4.350 -0.000 0.000 0.259 176 E C 1.255 177.540 176.600 -0.524 0.000 1.108 176 E CA 0.542 56.656 56.400 -0.478 0.000 0.916 176 E CB 0.648 29.910 29.700 -0.730 0.000 0.989 176 E HN 0.802 nan 8.360 nan 0.000 0.432 177 T N -1.484 112.840 114.554 -0.385 0.000 2.833 177 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 177 T C 1.437 176.002 174.700 -0.226 0.000 1.054 177 T CA 1.577 63.506 62.100 -0.285 0.000 1.135 177 T CB -0.357 68.401 68.868 -0.183 0.000 0.869 177 T HN 0.607 nan 8.240 nan 0.000 0.466 178 H N 0.554 119.556 119.070 -0.115 0.000 2.548 178 H HA 0.277 4.833 4.556 -0.000 0.000 0.268 178 H C 1.472 176.764 175.328 -0.060 0.000 0.975 178 H CA 0.692 56.695 56.048 -0.075 0.000 1.195 178 H CB -0.154 29.564 29.762 -0.074 0.000 1.397 178 H HN 0.478 nan 8.280 nan 0.000 0.572 179 E N 1.384 121.341 120.200 -0.406 0.000 2.318 179 E HA 0.043 4.393 4.350 -0.000 0.000 0.193 179 E C 0.755 177.297 176.600 -0.097 0.000 0.998 179 E CA 0.436 56.691 56.400 -0.242 0.000 0.859 179 E CB 0.778 30.185 29.700 -0.487 0.000 0.812 179 E HN 0.356 nan 8.360 nan 0.000 0.492 180 V N -1.160 118.689 119.914 -0.110 0.000 2.667 180 V HA 0.431 4.551 4.120 -0.000 0.000 0.308 180 V C 0.002 176.231 176.094 0.224 0.000 1.048 180 V CA -1.146 61.208 62.300 0.089 0.000 0.928 180 V CB 1.844 33.748 31.823 0.135 0.000 1.004 180 V HN -0.054 nan 8.190 nan 0.000 0.444 181 S N 2.925 118.845 115.700 0.366 0.000 2.572 181 S HA 0.518 4.988 4.470 -0.000 0.000 0.279 181 S C 1.319 176.176 174.600 0.427 0.000 1.341 181 S CA 0.196 58.624 58.200 0.380 0.000 1.043 181 S CB 1.101 64.554 63.200 0.421 0.000 0.887 181 S HN 1.648 nan 8.310 nan 0.000 0.516 182 A N 4.631 127.634 122.820 0.306 0.000 1.854 182 A HA 0.045 4.365 4.320 -0.000 0.000 0.214 182 A C 2.023 179.768 177.584 0.268 0.000 1.192 182 A CA 1.326 53.508 52.037 0.242 0.000 0.611 182 A CB -1.113 17.965 19.000 0.130 0.000 0.832 182 A HN 0.920 nan 8.150 nan 0.000 0.442 183 L N -1.133 120.294 121.223 0.340 0.000 1.991 183 L HA -0.251 4.089 4.340 -0.000 0.000 0.221 183 L C 2.257 179.350 176.870 0.371 0.000 1.079 183 L CA 2.891 57.963 54.840 0.386 0.000 0.778 183 L CB -0.950 41.349 42.059 0.401 0.000 0.893 183 L HN 0.690 nan 8.230 nan 0.000 0.437 184 W N -0.804 120.651 121.300 0.259 0.000 2.358 184 W HA -0.283 4.377 4.660 -0.000 0.000 0.303 184 W C 2.374 179.146 176.519 0.421 0.000 1.208 184 W CA 1.851 59.370 57.345 0.289 0.000 1.274 184 W CB -0.665 28.939 29.460 0.240 0.000 1.138 184 W HN 0.298 nan 8.180 nan 0.000 0.515 185 F N 0.663 120.637 119.950 0.041 0.000 2.186 185 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 185 F C 1.995 177.686 175.800 -0.182 0.000 1.090 185 F CA 1.915 59.731 58.000 -0.307 0.000 1.307 185 F CB -0.537 38.417 39.000 -0.078 0.000 1.019 185 F HN -0.177 nan 8.300 nan 0.000 0.489 186 L N -1.366 119.827 121.223 -0.050 0.000 2.141 186 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 186 L C 2.227 178.999 176.870 -0.164 0.000 1.094 186 L CA 1.287 56.037 54.840 -0.150 0.000 0.763 186 L CB -0.927 41.060 42.059 -0.121 0.000 0.908 186 L HN 0.429 nan 8.230 nan 0.000 0.437 187 W N 0.156 121.317 121.300 -0.230 0.000 2.378 187 W HA -0.290 4.370 4.660 0.000 0.000 0.313 187 W C 2.617 178.938 176.519 -0.331 0.000 1.197 187 W CA 1.398 58.607 57.345 -0.227 0.000 1.304 187 W CB -0.689 28.680 29.460 -0.152 0.000 1.148 187 W HN 0.079 nan 8.180 nan 0.000 0.494 188 Y N 0.959 120.836 120.300 -0.706 0.000 2.102 188 Y HA -0.355 4.195 4.550 -0.000 0.000 0.280 188 Y C 2.384 177.744 175.900 -0.899 0.000 1.178 188 Y CA 3.301 60.776 58.100 -1.041 0.000 1.146 188 Y CB -0.863 36.957 38.460 -1.067 0.000 0.968 188 Y HN -0.116 nan 8.280 nan 0.000 0.504 189 V N 0.831 120.337 119.914 -0.679 0.000 2.307 189 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 189 V C 2.486 178.259 176.094 -0.535 0.000 1.045 189 V CA 2.185 64.158 62.300 -0.546 0.000 1.024 189 V CB -0.793 30.782 31.823 -0.414 0.000 0.651 189 V HN 0.316 nan 8.190 nan 0.000 0.449 190 K N 1.109 121.213 120.400 -0.492 0.000 2.020 190 K HA -0.316 4.004 4.320 -0.000 0.000 0.212 190 K C 2.286 178.568 176.600 -0.529 0.000 1.050 190 K CA 2.650 58.682 56.287 -0.425 0.000 0.929 190 K CB -0.326 31.988 32.500 -0.310 0.000 0.714 190 K HN 0.740 nan 8.250 nan 0.000 0.443 191 Q N -0.381 118.972 119.800 -0.744 0.000 2.291 191 Q HA -0.084 4.256 4.340 -0.000 0.000 0.206 191 Q C 1.850 177.391 176.000 -0.765 0.000 0.976 191 Q CA 1.649 57.022 55.803 -0.717 0.000 0.875 191 Q CB -0.728 27.436 28.738 -0.956 0.000 0.927 191 Q HN 0.241 nan 8.270 nan 0.000 0.450 192 C N 0.529 119.219 119.300 -1.016 0.000 2.573 192 C HA 0.507 4.967 4.460 -0.000 0.000 0.273 192 C C 1.544 175.800 174.990 -1.223 0.000 1.346 192 C CA 0.204 58.251 59.018 -1.620 0.000 1.702 192 C CB -1.310 25.526 27.740 -1.507 0.000 1.751 192 C HN 0.850 nan 8.230 nan 0.000 0.583 193 G N 0.109 108.516 108.800 -0.656 0.000 2.132 193 G HA2 0.295 4.255 3.960 -0.000 0.000 0.234 193 G HA3 0.295 4.255 3.960 -0.000 0.000 0.234 193 G C 0.431 175.158 174.900 -0.288 0.000 0.989 193 G CA 0.026 44.900 45.100 -0.378 0.000 0.676 193 G HN 1.692 nan 8.290 nan 0.000 0.522 194 G N -2.324 106.285 108.800 -0.318 0.000 2.612 194 G HA2 0.329 4.289 3.960 -0.000 0.000 0.686 194 G HA3 0.329 4.289 3.960 -0.000 0.000 0.686 194 G C 1.091 175.904 174.900 -0.146 0.000 1.274 194 G CA 0.860 45.831 45.100 -0.215 0.000 0.849 194 G HN 1.921 nan 8.290 nan 0.000 0.595 195 T N -2.698 111.801 114.554 -0.091 0.000 2.685 195 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 195 T C 2.311 176.964 174.700 -0.077 0.000 1.034 195 T CA 3.087 65.162 62.100 -0.042 0.000 1.149 195 T CB -0.744 68.043 68.868 -0.136 0.000 0.860 195 T HN 1.080 nan 8.240 nan 0.000 0.449 196 T N 1.048 115.548 114.554 -0.090 0.000 2.857 196 T HA 0.060 4.410 4.350 -0.000 0.000 0.266 196 T C 2.089 176.812 174.700 0.038 0.000 1.048 196 T CA 1.183 63.289 62.100 0.010 0.000 1.139 196 T CB -0.272 68.628 68.868 0.053 0.000 0.874 196 T HN 0.306 nan 8.240 nan 0.000 0.455 197 R N 1.005 121.505 120.500 -0.001 0.000 2.092 197 R HA 0.187 4.527 4.340 -0.000 0.000 0.231 197 R C 2.129 178.494 176.300 0.109 0.000 1.119 197 R CA 1.073 57.195 56.100 0.038 0.000 0.970 197 R CB -0.763 29.520 30.300 -0.027 0.000 0.864 197 R HN 0.410 nan 8.270 nan 0.000 0.440 198 I N 0.318 120.913 120.570 0.041 0.000 2.406 198 I HA -0.126 4.044 4.170 -0.000 0.000 0.249 198 I C 1.770 177.996 176.117 0.182 0.000 1.122 198 I CA 1.011 62.380 61.300 0.115 0.000 1.431 198 I CB 0.047 38.073 38.000 0.042 0.000 1.087 198 I HN 0.281 nan 8.210 nan 0.000 0.424 199 I N -2.621 118.041 120.570 0.155 0.000 3.226 199 I HA 0.073 4.243 4.170 -0.000 0.000 0.277 199 I C 0.893 177.063 176.117 0.089 0.000 1.243 199 I CA 0.145 61.528 61.300 0.137 0.000 1.459 199 I CB -0.053 38.008 38.000 0.101 0.000 1.093 199 I HN -0.076 nan 8.210 nan 0.000 0.453 200 S N 0.909 116.653 115.700 0.073 0.000 2.610 200 S HA 0.336 4.806 4.470 -0.000 0.000 0.273 200 S C 0.839 175.445 174.600 0.009 0.000 1.274 200 S CA -0.344 57.872 58.200 0.028 0.000 1.023 200 S CB 1.905 65.107 63.200 0.003 0.000 0.962 200 S HN 0.285 nan 8.310 nan 0.000 0.523 201 T N 1.655 116.197 114.554 -0.020 0.000 3.115 201 T HA 0.070 4.420 4.350 -0.000 0.000 0.235 201 T C 0.403 175.068 174.700 -0.058 0.000 0.999 201 T CA 0.476 62.544 62.100 -0.053 0.000 1.276 201 T CB -0.339 68.493 68.868 -0.061 0.000 0.967 201 T HN 0.614 nan 8.240 nan 0.000 0.420 202 T N 3.768 118.287 114.554 -0.059 0.000 2.831 202 T HA 0.111 4.461 4.350 -0.000 0.000 0.291 202 T C 0.671 175.341 174.700 -0.048 0.000 0.981 202 T CA 0.286 62.352 62.100 -0.055 0.000 1.174 202 T CB -0.110 68.723 68.868 -0.059 0.000 0.929 202 T HN 0.468 nan 8.240 nan 0.000 0.532 203 N N 0.738 119.415 118.700 -0.038 0.000 2.753 203 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 203 N C 0.225 175.736 175.510 0.003 0.000 1.097 203 N CA 1.446 54.484 53.050 -0.020 0.000 0.786 203 N CB -1.059 37.417 38.487 -0.019 0.000 1.137 203 N HN 0.952 nan 8.380 nan 0.000 0.566 204 G N -3.017 105.780 108.800 -0.005 0.000 3.135 204 G HA2 0.591 4.551 3.960 -0.000 0.000 0.278 204 G HA3 0.591 4.551 3.960 -0.000 0.000 0.278 204 G C 0.916 175.811 174.900 -0.008 0.000 1.302 204 G CA -0.035 45.089 45.100 0.040 0.000 0.880 204 G HN 0.237 nan 8.290 nan 0.000 0.574 205 G N -0.992 107.829 108.800 0.034 0.000 2.511 205 G HA2 0.072 4.032 3.960 -0.000 0.000 0.217 205 G HA3 0.072 4.032 3.960 -0.000 0.000 0.217 205 G C 1.101 175.941 174.900 -0.100 0.000 1.133 205 G CA 0.654 45.658 45.100 -0.159 0.000 0.792 205 G HN 0.391 nan 8.290 nan 0.000 0.539 206 Q N 0.080 119.833 119.800 -0.079 0.000 2.228 206 Q HA 0.241 4.581 4.340 -0.000 0.000 0.211 206 Q C 1.605 177.527 176.000 -0.129 0.000 0.890 206 Q CA -0.081 55.604 55.803 -0.197 0.000 0.953 206 Q CB 0.576 29.072 28.738 -0.404 0.000 1.053 206 Q HN 0.655 nan 8.270 nan 0.000 0.471 207 E N 0.506 120.648 120.200 -0.096 0.000 2.106 207 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 207 E C -0.059 176.475 176.600 -0.111 0.000 0.984 207 E CA 0.684 57.027 56.400 -0.096 0.000 0.806 207 E CB 0.431 30.073 29.700 -0.098 0.000 0.750 207 E HN 0.145 nan 8.360 nan 0.000 0.458 208 R N -0.761 119.658 120.500 -0.136 0.000 2.740 208 R HA 0.434 4.774 4.340 -0.000 0.000 0.273 208 R C -1.237 174.855 176.300 -0.346 0.000 0.998 208 R CA -0.698 55.237 56.100 -0.276 0.000 0.900 208 R CB 2.092 32.208 30.300 -0.308 0.000 1.223 208 R HN -0.162 nan 8.270 nan 0.000 0.466 209 K N 0.892 120.936 120.400 -0.593 0.000 2.444 209 K HA 0.435 4.755 4.320 -0.000 0.000 0.252 209 K C -1.121 175.210 176.600 -0.448 0.000 0.993 209 K CA -0.732 55.220 56.287 -0.558 0.000 0.847 209 K CB 1.655 33.883 32.500 -0.454 0.000 1.340 209 K HN 0.222 nan 8.250 nan 0.000 0.446 210 F N 1.041 120.966 119.950 -0.041 0.000 2.412 210 F HA 0.131 4.658 4.527 -0.000 0.000 0.348 210 F C 0.531 176.415 175.800 0.140 0.000 1.102 210 F CA -0.890 57.124 58.000 0.023 0.000 1.196 210 F CB 0.903 39.883 39.000 -0.033 0.000 1.144 210 F HN 0.024 nan 8.300 nan 0.000 0.541 211 V N 3.759 123.872 119.914 0.332 0.000 2.458 211 V HA 0.212 4.332 4.120 -0.000 0.000 0.287 211 V C 0.908 176.880 176.094 -0.204 0.000 1.009 211 V CA 1.198 63.595 62.300 0.161 0.000 1.091 211 V CB -0.036 31.861 31.823 0.122 0.000 0.960 211 V HN 1.110 nan 8.190 nan 0.000 0.476 212 G N 3.354 111.610 108.800 -0.907 0.000 2.176 212 G HA2 0.177 4.137 3.960 -0.000 0.000 0.232 212 G HA3 0.177 4.137 3.960 -0.000 0.000 0.232 212 G C 0.718 175.119 174.900 -0.832 0.000 0.986 212 G CA -0.139 44.131 45.100 -1.382 0.000 0.643 212 G HN 2.376 nan 8.290 nan 0.000 0.522 213 G N -1.351 107.254 108.800 -0.324 0.000 2.712 213 G HA2 0.351 4.311 3.960 -0.000 0.000 0.686 213 G HA3 0.351 4.311 3.960 -0.000 0.000 0.686 213 G C 0.799 175.724 174.900 0.042 0.000 1.181 213 G CA 0.840 45.949 45.100 0.014 0.000 0.762 213 G HN 1.903 nan 8.290 nan 0.000 0.641 214 S N 0.078 115.859 115.700 0.135 0.000 2.561 214 S HA 0.178 4.648 4.470 -0.000 0.000 0.225 214 S C 2.406 176.986 174.600 -0.033 0.000 0.977 214 S CA 1.461 59.711 58.200 0.083 0.000 0.926 214 S CB 0.170 63.512 63.200 0.237 0.000 0.769 214 S HN 2.123 nan 8.310 nan 0.000 0.533 215 G N 1.404 110.197 108.800 -0.012 0.000 2.471 215 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.219 215 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.219 215 G C 1.436 176.300 174.900 -0.060 0.000 1.125 215 G CA 0.466 45.558 45.100 -0.014 0.000 0.775 215 G HN 0.650 nan 8.290 nan 0.000 0.548 216 Q N -0.044 119.690 119.800 -0.111 0.000 2.226 216 Q HA -0.035 4.305 4.340 -0.000 0.000 0.204 216 Q C 2.683 178.587 176.000 -0.161 0.000 0.975 216 Q CA 0.869 56.590 55.803 -0.137 0.000 0.866 216 Q CB -0.177 28.459 28.738 -0.170 0.000 0.915 216 Q HN 0.410 nan 8.270 nan 0.000 0.440 217 V N 0.478 120.267 119.914 -0.210 0.000 2.233 217 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 217 V C 2.161 178.188 176.094 -0.112 0.000 1.050 217 V CA 2.211 64.389 62.300 -0.204 0.000 1.010 217 V CB -0.661 31.021 31.823 -0.235 0.000 0.637 217 V HN 0.306 nan 8.190 nan 0.000 0.444 218 S N -0.750 114.907 115.700 -0.071 0.000 2.368 218 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 218 S C 1.919 176.497 174.600 -0.037 0.000 1.029 218 S CA 1.496 59.674 58.200 -0.036 0.000 0.988 218 S CB -0.302 62.900 63.200 0.002 0.000 0.838 218 S HN 0.682 nan 8.310 nan 0.000 0.462 219 E N 1.002 121.179 120.200 -0.040 0.000 2.070 219 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 219 E C 2.328 178.897 176.600 -0.051 0.000 1.004 219 E CA 1.120 57.496 56.400 -0.039 0.000 0.805 219 E CB -0.102 29.572 29.700 -0.042 0.000 0.744 219 E HN 0.350 nan 8.360 nan 0.000 0.451 220 R N 0.087 120.546 120.500 -0.068 0.000 2.119 220 R HA 0.006 4.346 4.340 -0.000 0.000 0.222 220 R C 2.340 178.600 176.300 -0.067 0.000 1.088 220 R CA 0.721 56.780 56.100 -0.069 0.000 0.984 220 R CB -0.093 30.157 30.300 -0.083 0.000 0.884 220 R HN 0.198 nan 8.270 nan 0.000 0.447 221 I N 0.670 121.198 120.570 -0.069 0.000 2.202 221 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 221 I C 2.653 178.721 176.117 -0.081 0.000 1.091 221 I CA 1.245 62.502 61.300 -0.072 0.000 1.368 221 I CB -0.258 37.704 38.000 -0.063 0.000 1.058 221 I HN 0.220 nan 8.210 nan 0.000 0.410 222 M N 0.987 120.548 119.600 -0.064 0.000 2.144 222 M HA -0.273 4.207 4.480 -0.000 0.000 0.260 222 M C 1.643 177.906 176.300 -0.062 0.000 1.067 222 M CA 2.030 57.294 55.300 -0.060 0.000 1.095 222 M CB -0.292 32.285 32.600 -0.039 0.000 1.365 222 M HN 0.161 nan 8.290 nan 0.000 0.406 223 D N 0.876 121.243 120.400 -0.056 0.000 2.106 223 D HA -0.187 4.453 4.640 -0.000 0.000 0.191 223 D C 2.017 178.280 176.300 -0.062 0.000 0.997 223 D CA 1.621 55.590 54.000 -0.050 0.000 0.834 223 D CB -0.612 40.162 40.800 -0.044 0.000 0.956 223 D HN 0.434 nan 8.370 nan 0.000 0.448 224 L N 0.064 121.240 121.223 -0.080 0.000 2.079 224 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 224 L C 2.463 179.218 176.870 -0.190 0.000 1.081 224 L CA 0.752 55.528 54.840 -0.106 0.000 0.752 224 L CB -0.308 41.686 42.059 -0.108 0.000 0.896 224 L HN 0.057 nan 8.230 nan 0.000 0.433 225 L N -1.255 119.844 121.223 -0.207 0.000 2.341 225 L HA 0.111 4.451 4.340 -0.000 0.000 0.214 225 L C 1.737 178.534 176.870 -0.123 0.000 1.115 225 L CA 0.484 55.174 54.840 -0.249 0.000 0.820 225 L CB -0.776 41.159 42.059 -0.207 0.000 0.944 225 L HN 0.471 nan 8.230 nan 0.000 0.452 226 G N 2.125 110.877 108.800 -0.080 0.000 2.596 226 G HA2 -0.475 3.485 3.960 -0.000 0.000 0.304 226 G HA3 -0.475 3.485 3.960 -0.000 0.000 0.304 226 G C 0.420 175.304 174.900 -0.027 0.000 1.189 226 G CA 0.670 45.746 45.100 -0.041 0.000 0.986 226 G HN 0.575 nan 8.290 nan 0.000 0.548 227 D N 0.656 121.050 120.400 -0.010 0.000 2.363 227 D HA 0.154 4.794 4.640 -0.000 0.000 0.226 227 D C 2.049 178.355 176.300 0.011 0.000 1.020 227 D CA 0.970 54.972 54.000 0.004 0.000 0.892 227 D CB -0.100 40.709 40.800 0.015 0.000 0.900 227 D HN 0.604 nan 8.370 nan 0.000 0.531 228 R N -0.025 120.473 120.500 -0.003 0.000 2.189 228 R HA 0.092 4.432 4.340 -0.000 0.000 0.218 228 R C 0.123 176.413 176.300 -0.018 0.000 1.074 228 R CA 0.305 56.406 56.100 0.002 0.000 0.991 228 R CB 0.163 30.458 30.300 -0.010 0.000 0.883 228 R HN 0.146 nan 8.270 nan 0.000 0.457 229 V N 3.145 123.040 119.914 -0.031 0.000 2.455 229 V HA 0.078 4.198 4.120 -0.000 0.000 0.273 229 V C 0.019 176.096 176.094 -0.029 0.000 1.045 229 V CA -0.124 62.152 62.300 -0.039 0.000 0.976 229 V CB 1.097 32.895 31.823 -0.041 0.000 0.993 229 V HN 0.071 nan 8.190 nan 0.000 0.475 230 K N 6.538 126.910 120.400 -0.047 0.000 2.293 230 K HA 0.553 4.873 4.320 -0.000 0.000 0.267 230 K C -0.749 175.826 176.600 -0.043 0.000 1.010 230 K CA -0.371 55.897 56.287 -0.031 0.000 0.875 230 K CB 2.055 34.534 32.500 -0.035 0.000 1.106 230 K HN 0.492 nan 8.250 nan 0.000 0.450 231 L N 1.731 122.940 121.223 -0.023 0.000 2.379 231 L HA 0.194 4.534 4.340 -0.000 0.000 0.269 231 L C 0.661 177.513 176.870 -0.029 0.000 1.084 231 L CA -0.292 54.531 54.840 -0.029 0.000 0.802 231 L CB 0.359 42.410 42.059 -0.014 0.000 1.175 231 L HN 0.699 nan 8.230 nan 0.000 0.448 232 E N 0.645 120.816 120.200 -0.048 0.000 2.360 232 E HA -0.244 4.106 4.350 -0.000 0.000 0.238 232 E C -0.434 176.141 176.600 -0.041 0.000 1.186 232 E CA 0.280 56.650 56.400 -0.050 0.000 0.719 232 E CB -0.952 28.737 29.700 -0.018 0.000 1.236 232 E HN 0.380 nan 8.360 nan 0.000 0.386 233 R N 0.271 120.731 120.500 -0.067 0.000 3.057 233 R HA 0.234 4.574 4.340 -0.000 0.000 0.291 233 R C -2.652 173.595 176.300 -0.087 0.000 1.394 233 R CA -1.953 54.118 56.100 -0.050 0.000 1.630 233 R CB 0.542 30.809 30.300 -0.055 0.000 1.268 233 R HN 0.018 nan 8.270 nan 0.000 0.621 234 P HA -0.003 nan 4.420 nan 0.000 0.271 234 P C -0.311 176.980 177.300 -0.015 0.000 1.226 234 P CA -0.119 62.910 63.100 -0.118 0.000 0.765 234 P CB 0.914 32.576 31.700 -0.064 0.000 0.835 235 V N 5.518 125.423 119.914 -0.016 0.000 2.555 235 V HA 0.047 4.167 4.120 -0.000 0.000 0.286 235 V C 1.699 177.827 176.094 0.056 0.000 1.044 235 V CA 0.450 62.758 62.300 0.013 0.000 1.026 235 V CB 0.331 32.145 31.823 -0.015 0.000 0.981 235 V HN 0.527 nan 8.190 nan 0.000 0.480 236 I N 1.991 122.606 120.570 0.075 0.000 4.323 236 I HA 0.443 4.613 4.170 -0.000 0.000 0.328 236 I C 0.028 176.235 176.117 0.151 0.000 1.310 236 I CA 0.145 61.517 61.300 0.119 0.000 1.186 236 I CB 0.560 38.618 38.000 0.097 0.000 1.130 236 I HN 0.491 nan 8.210 nan 0.000 0.411 237 Y N 1.950 122.195 120.300 -0.092 0.000 2.442 237 Y HA 0.698 5.248 4.550 -0.000 0.000 0.330 237 Y C -1.858 173.941 175.900 -0.169 0.000 1.100 237 Y CA -1.682 56.336 58.100 -0.136 0.000 1.034 237 Y CB 1.656 40.063 38.460 -0.089 0.000 1.285 237 Y HN -0.033 nan 8.280 nan 0.000 0.440 238 I N 5.875 125.974 120.570 -0.784 0.000 2.478 238 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 238 I C -1.380 174.341 176.117 -0.660 0.000 1.042 238 I CA -0.725 60.215 61.300 -0.600 0.000 1.067 238 I CB 1.974 39.763 38.000 -0.351 0.000 1.233 238 I HN 0.543 nan 8.210 nan 0.000 0.431 239 D N 6.501 126.596 120.400 -0.508 0.000 2.425 239 D HA 0.272 4.912 4.640 -0.000 0.000 0.240 239 D C -0.366 175.869 176.300 -0.109 0.000 1.080 239 D CA -0.208 53.608 54.000 -0.307 0.000 0.836 239 D CB 1.649 42.308 40.800 -0.235 0.000 1.125 239 D HN 0.561 nan 8.370 nan 0.000 0.525 240 Q N 1.940 121.714 119.800 -0.044 0.000 2.165 240 Q HA 0.086 4.426 4.340 -0.000 0.000 0.245 240 Q C 1.267 177.265 176.000 -0.003 0.000 0.841 240 Q CA -0.069 55.725 55.803 -0.015 0.000 1.078 240 Q CB 0.828 29.572 28.738 0.009 0.000 1.169 240 Q HN 0.516 nan 8.270 nan 0.000 0.475 241 T N -2.615 111.940 114.554 0.002 0.000 3.043 241 T HA 0.099 4.449 4.350 -0.000 0.000 0.263 241 T C 0.974 175.678 174.700 0.006 0.000 1.094 241 T CA 0.288 62.395 62.100 0.012 0.000 1.127 241 T CB 0.294 69.178 68.868 0.027 0.000 0.905 241 T HN -0.001 nan 8.240 nan 0.000 0.490 242 R N 0.634 121.133 120.500 -0.001 0.000 2.700 242 R HA 0.473 4.813 4.340 -0.000 0.000 0.253 242 R C 1.634 177.923 176.300 -0.019 0.000 1.091 242 R CA -0.604 55.492 56.100 -0.006 0.000 1.104 242 R CB 0.501 30.801 30.300 -0.001 0.000 1.202 242 R HN 0.138 nan 8.270 nan 0.000 0.532 243 E N 0.587 120.774 120.200 -0.021 0.000 2.070 243 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 243 E C -0.342 176.225 176.600 -0.054 0.000 1.004 243 E CA 1.279 57.659 56.400 -0.033 0.000 0.805 243 E CB 0.139 29.824 29.700 -0.026 0.000 0.744 243 E HN 0.330 nan 8.360 nan 0.000 0.451 244 N N 0.133 118.805 118.700 -0.046 0.000 2.466 244 N HA 0.172 4.912 4.740 -0.000 0.000 0.294 244 N C -0.855 174.627 175.510 -0.047 0.000 1.129 244 N CA -0.351 52.664 53.050 -0.057 0.000 0.931 244 N CB 2.034 40.498 38.487 -0.038 0.000 1.193 244 N HN -0.144 nan 8.380 nan 0.000 0.500 245 V N 2.093 121.975 119.914 -0.055 0.000 2.555 245 V HA 0.212 4.332 4.120 -0.000 0.000 0.286 245 V C 0.407 176.493 176.094 -0.014 0.000 1.044 245 V CA -0.358 61.920 62.300 -0.036 0.000 1.026 245 V CB 0.358 32.162 31.823 -0.031 0.000 0.981 245 V HN 0.359 nan 8.190 nan 0.000 0.480 246 L N 5.512 126.720 121.223 -0.025 0.000 2.295 246 L HA 0.627 4.967 4.340 -0.000 0.000 0.285 246 L C -0.593 176.263 176.870 -0.022 0.000 1.035 246 L CA -0.514 54.326 54.840 0.000 0.000 0.806 246 L CB 1.769 43.840 42.059 0.018 0.000 1.214 246 L HN 0.352 nan 8.230 nan 0.000 0.426 247 V N 2.669 122.616 119.914 0.056 0.000 2.409 247 V HA 0.302 4.422 4.120 -0.000 0.000 0.290 247 V C -0.269 175.919 176.094 0.158 0.000 1.017 247 V CA -0.605 61.728 62.300 0.055 0.000 0.841 247 V CB 1.701 33.551 31.823 0.045 0.000 1.003 247 V HN 0.729 nan 8.190 nan 0.000 0.426 248 E N 2.872 123.165 120.200 0.154 0.000 2.216 248 E HA 0.566 4.916 4.350 -0.000 0.000 0.279 248 E C -0.015 176.672 176.600 0.145 0.000 0.997 248 E CA -0.386 56.124 56.400 0.185 0.000 0.817 248 E CB 1.635 31.459 29.700 0.207 0.000 1.096 248 E HN 0.826 nan 8.360 nan 0.000 0.393 249 T N 0.997 115.647 114.554 0.160 0.000 2.912 249 T HA 0.154 4.504 4.350 -0.000 0.000 0.280 249 T C 1.060 175.834 174.700 0.124 0.000 0.989 249 T CA -0.796 61.377 62.100 0.121 0.000 0.995 249 T CB 1.048 69.993 68.868 0.128 0.000 1.077 249 T HN 0.457 nan 8.240 nan 0.000 0.531 250 L N 1.604 122.894 121.223 0.111 0.000 2.083 250 L HA 0.016 4.356 4.340 -0.000 0.000 0.209 250 L C 1.920 178.911 176.870 0.201 0.000 1.083 250 L CA 2.082 57.004 54.840 0.136 0.000 0.752 250 L CB -1.021 41.103 42.059 0.108 0.000 0.899 250 L HN 0.940 nan 8.230 nan 0.000 0.433 251 N N -2.664 116.123 118.700 0.145 0.000 2.413 251 N HA -0.069 4.671 4.740 -0.000 0.000 0.207 251 N C 0.370 175.992 175.510 0.185 0.000 1.206 251 N CA 0.428 53.538 53.050 0.100 0.000 0.832 251 N CB -0.406 38.109 38.487 0.047 0.000 1.037 251 N HN 0.511 nan 8.380 nan 0.000 0.467 252 H N -2.559 116.530 119.070 0.032 0.000 3.863 252 H HA -0.162 4.394 4.556 0.000 0.000 0.160 252 H C -0.724 174.620 175.328 0.026 0.000 0.870 252 H CA 0.613 56.672 56.048 0.019 0.000 1.247 252 H CB -1.165 28.596 29.762 -0.001 0.000 0.921 252 H HN 0.573 nan 8.280 nan 0.000 0.421 253 E N 1.038 121.335 120.200 0.162 0.000 2.398 253 E HA 0.264 4.614 4.350 -0.000 0.000 0.263 253 E C 0.102 176.754 176.600 0.086 0.000 1.046 253 E CA 0.118 56.571 56.400 0.088 0.000 0.908 253 E CB 0.846 30.635 29.700 0.148 0.000 0.963 253 E HN 0.045 nan 8.360 nan 0.000 0.431 254 M N 2.789 122.340 119.600 -0.083 0.000 2.383 254 M HA 0.336 4.816 4.480 -0.000 0.000 0.325 254 M C -1.987 174.163 176.300 -0.249 0.000 1.092 254 M CA -0.512 54.767 55.300 -0.036 0.000 0.961 254 M CB 0.984 33.566 32.600 -0.029 0.000 1.672 254 M HN 0.370 nan 8.290 nan 0.000 0.438 255 Y N 1.435 121.746 120.300 0.018 0.000 2.485 255 Y HA 0.649 5.199 4.550 -0.000 0.000 0.345 255 Y C -0.510 175.392 175.900 0.004 0.000 0.998 255 Y CA -0.706 57.400 58.100 0.011 0.000 1.059 255 Y CB 1.927 40.392 38.460 0.010 0.000 1.234 255 Y HN 0.606 nan 8.280 nan 0.000 0.461 256 E N 1.486 121.757 120.200 0.119 0.000 2.246 256 E HA 0.826 5.176 4.350 -0.000 0.000 0.266 256 E C -1.635 175.002 176.600 0.061 0.000 0.880 256 E CA -0.698 55.738 56.400 0.059 0.000 0.762 256 E CB 1.562 31.272 29.700 0.015 0.000 1.180 256 E HN 0.762 nan 8.360 nan 0.000 0.416 257 A N 3.386 126.228 122.820 0.036 0.000 2.594 257 A HA 0.387 4.707 4.320 -0.000 0.000 0.291 257 A C 0.175 177.737 177.584 -0.038 0.000 1.105 257 A CA -0.637 51.415 52.037 0.026 0.000 0.694 257 A CB 1.491 20.527 19.000 0.059 0.000 1.291 257 A HN 0.647 nan 8.150 nan 0.000 0.410 258 K N -0.646 119.716 120.400 -0.062 0.000 2.025 258 K HA 0.008 4.328 4.320 -0.000 0.000 0.207 258 K C -0.502 175.820 176.600 -0.463 0.000 1.049 258 K CA 1.634 57.765 56.287 -0.259 0.000 0.933 258 K CB -0.169 32.223 32.500 -0.180 0.000 0.714 258 K HN 0.620 nan 8.250 nan 0.000 0.438 259 Y N -1.112 119.207 120.300 0.031 0.000 2.615 259 Y HA 0.395 4.945 4.550 -0.000 0.000 0.341 259 Y C -0.547 175.378 175.900 0.041 0.000 1.089 259 Y CA -1.291 56.842 58.100 0.055 0.000 1.049 259 Y CB 1.886 40.374 38.460 0.048 0.000 1.296 259 Y HN -0.395 nan 8.280 nan 0.000 0.470 260 V N 2.931 122.994 119.914 0.248 0.000 2.656 260 V HA 0.473 4.593 4.120 -0.000 0.000 0.307 260 V C -0.657 175.490 176.094 0.088 0.000 1.051 260 V CA -0.867 61.502 62.300 0.116 0.000 0.893 260 V CB 2.107 33.964 31.823 0.057 0.000 0.999 260 V HN 0.555 nan 8.190 nan 0.000 0.426 261 I N 2.872 123.463 120.570 0.036 0.000 2.339 261 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 261 I C 0.323 176.436 176.117 -0.006 0.000 0.994 261 I CA -0.101 61.200 61.300 0.003 0.000 1.191 261 I CB 1.871 39.877 38.000 0.009 0.000 1.343 261 I HN 0.622 nan 8.210 nan 0.000 0.458 262 S N 5.623 121.296 115.700 -0.044 0.000 2.399 262 S HA 0.521 4.991 4.470 -0.000 0.000 0.301 262 S C 0.371 175.055 174.600 0.140 0.000 1.093 262 S CA -0.493 57.752 58.200 0.076 0.000 1.077 262 S CB 0.506 63.815 63.200 0.181 0.000 0.980 262 S HN 0.701 nan 8.310 nan 0.000 0.494 263 A N 6.139 129.026 122.820 0.113 0.000 3.106 263 A HA 0.524 4.844 4.320 -0.000 0.000 0.306 263 A C 0.204 177.861 177.584 0.121 0.000 1.192 263 A CA -0.705 51.401 52.037 0.115 0.000 0.994 263 A CB -0.635 18.409 19.000 0.074 0.000 1.107 263 A HN 0.930 nan 8.150 nan 0.000 0.585 264 I N -4.273 116.386 120.570 0.149 0.000 2.934 264 I HA 0.681 4.851 4.170 -0.000 0.000 0.306 264 I C -3.054 173.150 176.117 0.145 0.000 1.110 264 I CA -3.169 58.216 61.300 0.141 0.000 1.019 264 I CB 1.797 39.884 38.000 0.145 0.000 1.227 264 I HN -0.152 nan 8.210 nan 0.000 0.434 265 P HA 0.153 nan 4.420 nan 0.000 0.262 265 P C -2.175 175.168 177.300 0.073 0.000 1.182 265 P CA -0.620 62.539 63.100 0.098 0.000 0.761 265 P CB 0.043 31.789 31.700 0.077 0.000 0.795 266 P HA -0.251 nan 4.420 nan 0.000 0.217 266 P C 1.657 178.925 177.300 -0.053 0.000 1.158 266 P CA 1.888 64.979 63.100 -0.015 0.000 0.887 266 P CB -0.274 31.384 31.700 -0.070 0.000 0.792 267 T N -1.179 113.322 114.554 -0.089 0.000 2.833 267 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 267 T C 1.476 176.159 174.700 -0.029 0.000 1.054 267 T CA 0.854 62.894 62.100 -0.101 0.000 1.135 267 T CB -0.847 67.933 68.868 -0.148 0.000 0.869 267 T HN -0.019 nan 8.240 nan 0.000 0.466 268 L N 0.446 121.682 121.223 0.023 0.000 2.633 268 L HA 0.129 4.469 4.340 -0.000 0.000 0.235 268 L C 2.661 179.600 176.870 0.115 0.000 1.163 268 L CA 0.581 55.464 54.840 0.073 0.000 0.859 268 L CB -0.575 41.555 42.059 0.119 0.000 0.973 268 L HN 0.323 nan 8.230 nan 0.000 0.451 269 G N -0.534 108.336 108.800 0.118 0.000 2.534 269 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 269 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 269 G C 1.616 176.639 174.900 0.205 0.000 1.128 269 G CA -0.002 45.221 45.100 0.205 0.000 0.784 269 G HN 0.099 nan 8.290 nan 0.000 0.542 270 M N 0.858 120.508 119.600 0.083 0.000 2.195 270 M HA -0.068 4.412 4.480 -0.000 0.000 0.260 270 M C 2.074 178.390 176.300 0.028 0.000 1.066 270 M CA 1.164 56.485 55.300 0.035 0.000 1.089 270 M CB -0.668 31.918 32.600 -0.024 0.000 1.377 270 M HN 0.234 nan 8.290 nan 0.000 0.411 271 K N -0.142 120.298 120.400 0.067 0.000 2.555 271 K HA 0.145 4.465 4.320 -0.000 0.000 0.193 271 K C 0.281 176.943 176.600 0.103 0.000 1.032 271 K CA 0.387 56.725 56.287 0.084 0.000 1.004 271 K CB 0.047 32.627 32.500 0.134 0.000 0.804 271 K HN 0.337 nan 8.250 nan 0.000 0.496 272 I N 1.143 121.746 120.570 0.056 0.000 2.465 272 I HA 0.158 4.328 4.170 -0.000 0.000 0.291 272 I C -0.061 175.942 176.117 -0.191 0.000 1.014 272 I CA -0.794 60.463 61.300 -0.073 0.000 1.093 272 I CB 1.568 39.407 38.000 -0.270 0.000 1.267 272 I HN 0.057 nan 8.210 nan 0.000 0.431 273 H N 6.054 125.031 119.070 -0.155 0.000 2.527 273 H HA 0.382 4.938 4.556 -0.000 0.000 0.321 273 H C -1.156 174.067 175.328 -0.174 0.000 1.087 273 H CA -0.231 55.822 56.048 0.008 0.000 1.337 273 H CB 1.344 31.191 29.762 0.141 0.000 1.440 273 H HN 0.311 nan 8.280 nan 0.000 0.490 274 F N 1.810 121.850 119.950 0.151 0.000 2.480 274 F HA 0.187 4.714 4.527 0.000 0.000 0.329 274 F C 0.499 176.330 175.800 0.052 0.000 1.091 274 F CA -0.763 57.254 58.000 0.029 0.000 0.972 274 F CB 1.576 40.585 39.000 0.015 0.000 1.150 274 F HN 0.487 nan 8.300 nan 0.000 0.467 275 N N 3.648 122.422 118.700 0.123 0.000 2.430 275 N HA 0.464 5.204 4.740 -0.000 0.000 0.290 275 N C -3.107 172.445 175.510 0.070 0.000 1.063 275 N CA -2.307 50.815 53.050 0.118 0.000 0.883 275 N CB 2.236 40.814 38.487 0.153 0.000 1.465 275 N HN 0.032 nan 8.380 nan 0.000 0.493 276 P HA 0.286 nan 4.420 nan 0.000 0.273 276 P C -2.640 174.732 177.300 0.120 0.000 1.250 276 P CA -0.960 62.193 63.100 0.087 0.000 0.793 276 P CB -0.528 31.204 31.700 0.054 0.000 1.011 277 P HA 0.074 nan 4.420 nan 0.000 0.267 277 P C 0.137 177.445 177.300 0.013 0.000 1.200 277 P CA 0.191 63.345 63.100 0.091 0.000 0.772 277 P CB 0.167 31.901 31.700 0.057 0.000 0.855 278 L N 3.922 125.094 121.223 -0.085 0.000 2.516 278 L HA 0.033 4.373 4.340 -0.000 0.000 0.288 278 L C -1.413 175.393 176.870 -0.106 0.000 1.246 278 L CA -1.150 53.572 54.840 -0.196 0.000 0.844 278 L CB -0.596 41.257 42.059 -0.344 0.000 1.106 278 L HN 0.349 nan 8.230 nan 0.000 0.509 279 P HA -0.037 nan 4.420 nan 0.000 0.272 279 P C 0.537 177.796 177.300 -0.068 0.000 1.240 279 P CA -0.448 62.613 63.100 -0.065 0.000 0.791 279 P CB 0.513 32.180 31.700 -0.056 0.000 0.978 280 M N 0.777 120.350 119.600 -0.044 0.000 2.106 280 M HA -0.178 4.302 4.480 -0.000 0.000 0.259 280 M C 1.258 177.554 176.300 -0.007 0.000 1.068 280 M CA 2.235 57.519 55.300 -0.028 0.000 1.100 280 M CB -0.323 32.265 32.600 -0.020 0.000 1.351 280 M HN 0.116 nan 8.290 nan 0.000 0.404 281 M N -0.632 118.962 119.600 -0.010 0.000 2.236 281 M HA -0.053 4.427 4.480 -0.000 0.000 0.266 281 M C 2.253 178.581 176.300 0.048 0.000 1.070 281 M CA 1.384 56.720 55.300 0.059 0.000 1.137 281 M CB -1.194 31.391 32.600 -0.025 0.000 1.378 281 M HN 0.414 nan 8.290 nan 0.000 0.426 282 R N 0.761 121.219 120.500 -0.069 0.000 2.066 282 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 282 R C 2.025 178.224 176.300 -0.168 0.000 1.131 282 R CA 1.910 57.916 56.100 -0.157 0.000 0.955 282 R CB -0.261 29.898 30.300 -0.234 0.000 0.851 282 R HN 0.308 nan 8.270 nan 0.000 0.432 283 N N 0.404 119.018 118.700 -0.144 0.000 2.069 283 N HA -0.262 4.478 4.740 -0.000 0.000 0.196 283 N C 1.609 177.041 175.510 -0.129 0.000 1.024 283 N CA 2.193 55.165 53.050 -0.131 0.000 0.869 283 N CB -0.050 38.386 38.487 -0.086 0.000 1.035 283 N HN 0.384 nan 8.380 nan 0.000 0.434 284 Q N -1.246 118.489 119.800 -0.107 0.000 2.212 284 Q HA -0.027 4.313 4.340 -0.000 0.000 0.199 284 Q C 2.009 177.773 176.000 -0.394 0.000 0.950 284 Q CA 0.561 56.256 55.803 -0.180 0.000 0.863 284 Q CB -0.101 28.597 28.738 -0.068 0.000 0.944 284 Q HN 0.496 nan 8.270 nan 0.000 0.465 285 M N 1.554 120.919 119.600 -0.391 0.000 2.108 285 M HA -0.191 4.289 4.480 -0.000 0.000 0.257 285 M C 1.977 178.039 176.300 -0.397 0.000 1.071 285 M CA 1.729 56.736 55.300 -0.489 0.000 1.093 285 M CB -0.447 32.023 32.600 -0.217 0.000 1.345 285 M HN 0.298 nan 8.290 nan 0.000 0.403 286 I N -1.829 118.567 120.570 -0.289 0.000 3.334 286 I HA -0.055 4.115 4.170 -0.000 0.000 0.282 286 I C 1.371 177.349 176.117 -0.232 0.000 1.313 286 I CA 1.264 62.420 61.300 -0.240 0.000 1.396 286 I CB -1.013 36.885 38.000 -0.170 0.000 1.054 286 I HN 0.298 nan 8.210 nan 0.000 0.495 287 T N -2.585 111.814 114.554 -0.259 0.000 3.134 287 T HA 0.354 4.704 4.350 -0.000 0.000 0.260 287 T C 1.244 175.774 174.700 -0.284 0.000 1.027 287 T CA -0.374 61.587 62.100 -0.231 0.000 0.913 287 T CB 0.009 68.763 68.868 -0.191 0.000 1.046 287 T HN 0.414 nan 8.240 nan 0.000 0.553 288 R N 0.551 120.828 120.500 -0.372 0.000 2.531 288 R HA 0.294 4.634 4.340 -0.000 0.000 0.316 288 R C 0.076 176.061 176.300 -0.525 0.000 0.955 288 R CA 0.100 55.947 56.100 -0.421 0.000 1.120 288 R CB 1.561 31.557 30.300 -0.507 0.000 1.361 288 R HN 0.416 nan 8.270 nan 0.000 0.534 289 V N -0.556 119.026 119.914 -0.553 0.000 2.361 289 V HA 0.479 4.599 4.120 -0.000 0.000 0.252 289 V C -2.615 173.105 176.094 -0.623 0.000 0.986 289 V CA -2.151 59.709 62.300 -0.734 0.000 1.033 289 V CB 0.380 31.728 31.823 -0.792 0.000 1.282 289 V HN -0.126 nan 8.190 nan 0.000 0.514 290 P HA 0.441 nan 4.420 nan 0.000 0.274 290 P C -0.596 176.388 177.300 -0.527 0.000 1.260 290 P CA -0.230 62.533 63.100 -0.562 0.000 0.793 290 P CB 1.647 32.998 31.700 -0.582 0.000 1.048 291 L N -0.499 120.583 121.223 -0.235 0.000 2.322 291 L HA 0.628 4.968 4.340 -0.000 0.000 0.269 291 L C 1.257 178.166 176.870 0.065 0.000 1.012 291 L CA -0.345 54.458 54.840 -0.062 0.000 0.815 291 L CB 1.163 43.211 42.059 -0.018 0.000 1.295 291 L HN 0.464 nan 8.230 nan 0.000 0.438 292 G N -0.308 108.545 108.800 0.087 0.000 2.535 292 G HA2 0.508 4.468 3.960 -0.000 0.000 0.282 292 G HA3 0.508 4.468 3.960 -0.000 0.000 0.282 292 G C -0.940 173.959 174.900 -0.002 0.000 1.350 292 G CA -0.378 44.752 45.100 0.050 0.000 1.039 292 G HN 0.495 nan 8.290 nan 0.000 0.509 293 S N -1.398 114.279 115.700 -0.038 0.000 2.502 293 S HA 0.630 5.100 4.470 -0.000 0.000 0.304 293 S C -0.889 173.694 174.600 -0.028 0.000 1.097 293 S CA -0.569 57.631 58.200 0.001 0.000 1.045 293 S CB 1.657 64.869 63.200 0.019 0.000 1.019 293 S HN 0.993 nan 8.310 nan 0.000 0.481 294 V N 4.046 123.993 119.914 0.055 0.000 3.147 294 V HA 0.632 4.752 4.120 -0.000 0.000 0.299 294 V C -2.103 174.141 176.094 0.250 0.000 1.302 294 V CA -0.872 61.493 62.300 0.107 0.000 1.015 294 V CB 1.836 33.658 31.823 -0.002 0.000 1.086 294 V HN 0.893 nan 8.190 nan 0.000 0.437 295 I N 4.396 125.133 120.570 0.279 0.000 2.465 295 I HA 0.542 4.712 4.170 -0.000 0.000 0.291 295 I C -0.432 175.941 176.117 0.427 0.000 1.014 295 I CA -0.662 60.824 61.300 0.309 0.000 1.093 295 I CB 1.876 39.996 38.000 0.200 0.000 1.267 295 I HN 0.581 nan 8.210 nan 0.000 0.431 296 K N 5.808 126.501 120.400 0.488 0.000 2.234 296 K HA 0.594 4.914 4.320 -0.000 0.000 0.277 296 K C -1.432 175.327 176.600 0.265 0.000 1.038 296 K CA -0.312 56.274 56.287 0.498 0.000 0.888 296 K CB 0.974 33.850 32.500 0.628 0.000 1.091 296 K HN 0.729 nan 8.250 nan 0.000 0.467 297 C N 5.243 124.662 119.300 0.198 0.000 2.417 297 C HA 0.597 5.057 4.460 -0.000 0.000 0.324 297 C C -0.689 174.384 174.990 0.139 0.000 1.240 297 C CA -1.039 58.089 59.018 0.184 0.000 1.632 297 C CB -0.058 27.874 27.740 0.321 0.000 2.241 297 C HN 0.746 nan 8.230 nan 0.000 0.499 298 I N 2.971 123.602 120.570 0.101 0.000 2.439 298 I HA 0.420 4.590 4.170 -0.000 0.000 0.285 298 I C -0.337 175.833 176.117 0.089 0.000 1.021 298 I CA -0.057 61.253 61.300 0.016 0.000 1.091 298 I CB 1.424 39.390 38.000 -0.058 0.000 1.242 298 I HN 0.369 nan 8.210 nan 0.000 0.439 299 V N 6.466 126.397 119.914 0.028 0.000 2.435 299 V HA 0.441 4.561 4.120 -0.000 0.000 0.290 299 V C -0.665 175.248 176.094 -0.302 0.000 1.030 299 V CA -0.743 61.578 62.300 0.034 0.000 0.881 299 V CB 1.152 33.002 31.823 0.044 0.000 0.983 299 V HN 0.399 nan 8.190 nan 0.000 0.445 300 Y N 3.638 123.839 120.300 -0.165 0.000 2.457 300 Y HA 0.746 5.296 4.550 0.000 0.000 0.333 300 Y C -0.347 175.387 175.900 -0.277 0.000 1.119 300 Y CA -0.775 57.282 58.100 -0.072 0.000 1.143 300 Y CB 1.514 40.062 38.460 0.147 0.000 1.230 300 Y HN 0.539 nan 8.280 nan 0.000 0.469 301 Y N -0.692 119.859 120.300 0.418 0.000 2.615 301 Y HA 0.293 4.843 4.550 -0.000 0.000 0.341 301 Y C 0.998 177.044 175.900 0.243 0.000 1.089 301 Y CA -1.403 56.911 58.100 0.356 0.000 1.049 301 Y CB 1.916 40.689 38.460 0.523 0.000 1.296 301 Y HN 0.451 nan 8.280 nan 0.000 0.470 302 K N 0.390 121.003 120.400 0.356 0.000 2.057 302 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 302 K C -0.563 176.103 176.600 0.110 0.000 1.049 302 K CA 1.625 58.016 56.287 0.173 0.000 0.931 302 K CB 0.204 32.778 32.500 0.124 0.000 0.714 302 K HN 0.720 nan 8.250 nan 0.000 0.440 303 E N -0.849 119.432 120.200 0.134 0.000 2.383 303 E HA 0.202 4.552 4.350 -0.000 0.000 0.275 303 E C -2.658 173.827 176.600 -0.191 0.000 0.918 303 E CA -2.229 54.160 56.400 -0.019 0.000 0.764 303 E CB 2.222 31.909 29.700 -0.022 0.000 1.252 303 E HN -0.121 nan 8.360 nan 0.000 0.449 304 P HA 0.030 nan 4.420 nan 0.000 0.231 304 P C 0.232 176.657 177.300 -1.458 0.000 1.756 304 P CA -0.015 62.192 63.100 -1.488 0.000 0.990 304 P CB -0.954 30.109 31.700 -1.061 0.000 1.973 305 F N -0.224 119.254 119.950 -0.786 0.000 2.236 305 F HA -0.181 4.346 4.527 -0.000 0.000 0.302 305 F C 1.613 177.289 175.800 -0.206 0.000 1.073 305 F CA 0.190 57.983 58.000 -0.345 0.000 1.336 305 F CB -1.821 37.089 39.000 -0.151 0.000 1.040 305 F HN 0.152 nan 8.300 nan 0.000 0.507 306 W N 1.181 122.177 121.300 -0.507 0.000 2.392 306 W HA 0.028 4.688 4.660 0.000 0.000 0.279 306 W C 2.006 178.490 176.519 -0.058 0.000 1.225 306 W CA 0.838 58.080 57.345 -0.172 0.000 1.233 306 W CB -1.036 28.260 29.460 -0.273 0.000 1.122 306 W HN -0.115 nan 8.180 nan 0.000 0.561 307 R N 1.153 121.468 120.500 -0.308 0.000 2.115 307 R HA -0.046 4.294 4.340 -0.000 0.000 0.226 307 R C 1.975 178.196 176.300 -0.131 0.000 1.100 307 R CA 1.486 57.478 56.100 -0.179 0.000 0.980 307 R CB -0.379 29.753 30.300 -0.280 0.000 0.875 307 R HN 0.201 nan 8.270 nan 0.000 0.445 308 K N 0.798 121.124 120.400 -0.125 0.000 2.160 308 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 308 K C 1.546 178.087 176.600 -0.099 0.000 1.047 308 K CA 1.311 57.548 56.287 -0.083 0.000 0.930 308 K CB 0.050 32.525 32.500 -0.041 0.000 0.720 308 K HN 0.070 nan 8.250 nan 0.000 0.450 309 K N 0.377 120.695 120.400 -0.137 0.000 2.404 309 K HA -0.033 4.287 4.320 -0.000 0.000 0.194 309 K C -0.497 175.769 176.600 -0.557 0.000 1.023 309 K CA 0.237 56.333 56.287 -0.319 0.000 1.094 309 K CB 0.367 32.664 32.500 -0.338 0.000 0.841 309 K HN 0.043 nan 8.250 nan 0.000 0.523 310 D N 0.027 120.235 120.400 -0.321 0.000 2.737 310 D HA -0.200 4.440 4.640 -0.000 0.000 0.243 310 D C -1.537 174.636 176.300 -0.212 0.000 1.109 310 D CA 0.789 54.656 54.000 -0.222 0.000 0.702 310 D CB -1.416 39.275 40.800 -0.182 0.000 1.068 310 D HN 0.293 nan 8.370 nan 0.000 0.432 311 Y N -0.924 119.410 120.300 0.056 0.000 2.425 311 Y HA 0.336 4.886 4.550 -0.000 0.000 0.344 311 Y C 1.906 177.884 175.900 0.130 0.000 0.969 311 Y CA -0.964 57.172 58.100 0.060 0.000 1.052 311 Y CB 1.393 39.901 38.460 0.079 0.000 1.215 311 Y HN 0.254 nan 8.280 nan 0.000 0.451 312 C N -1.322 118.104 119.300 0.210 0.000 2.495 312 C HA 0.491 4.951 4.460 -0.000 0.000 0.275 312 C C 1.703 176.784 174.990 0.152 0.000 1.392 312 C CA 0.601 59.721 59.018 0.171 0.000 1.766 312 C CB -0.696 27.063 27.740 0.032 0.000 1.933 312 C HN 1.236 nan 8.230 nan 0.000 0.519 313 G N -0.292 108.424 108.800 -0.141 0.000 2.205 313 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.180 313 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.180 313 G C -0.026 174.552 174.900 -0.536 0.000 1.004 313 G CA 0.146 44.852 45.100 -0.656 0.000 0.670 313 G HN 0.504 nan 8.290 nan 0.000 0.496 314 T N 2.419 116.755 114.554 -0.363 0.000 2.729 314 T HA 0.646 4.996 4.350 -0.000 0.000 0.296 314 T C 0.312 174.817 174.700 -0.325 0.000 0.928 314 T CA 0.463 62.328 62.100 -0.392 0.000 1.045 314 T CB 0.834 69.521 68.868 -0.301 0.000 0.902 314 T HN 0.273 nan 8.240 nan 0.000 0.500 315 M N 4.010 123.407 119.600 -0.339 0.000 2.321 315 M HA 0.518 4.998 4.480 -0.000 0.000 0.315 315 M C -0.764 175.535 176.300 -0.002 0.000 1.052 315 M CA -0.646 54.565 55.300 -0.148 0.000 0.936 315 M CB 2.177 34.667 32.600 -0.183 0.000 1.639 315 M HN 0.401 nan 8.290 nan 0.000 0.433 316 I N 4.403 125.107 120.570 0.223 0.000 2.355 316 I HA 0.426 4.596 4.170 -0.000 0.000 0.288 316 I C -0.843 175.536 176.117 0.437 0.000 0.999 316 I CA -0.381 61.142 61.300 0.372 0.000 1.163 316 I CB 1.105 39.324 38.000 0.366 0.000 1.316 316 I HN 0.610 nan 8.210 nan 0.000 0.454 317 I N 5.688 126.473 120.570 0.358 0.000 2.405 317 I HA 0.242 4.412 4.170 -0.000 0.000 0.280 317 I C -0.444 175.853 176.117 0.301 0.000 1.027 317 I CA -0.671 60.818 61.300 0.314 0.000 1.161 317 I CB 0.772 38.888 38.000 0.193 0.000 1.300 317 I HN 0.437 nan 8.210 nan 0.000 0.463 318 D N 5.061 125.649 120.400 0.314 0.000 2.368 318 D HA 0.509 5.149 4.640 -0.000 0.000 0.240 318 D C 0.600 177.014 176.300 0.189 0.000 1.169 318 D CA 0.666 54.810 54.000 0.240 0.000 0.906 318 D CB 1.376 42.290 40.800 0.190 0.000 1.187 318 D HN 0.811 nan 8.370 nan 0.000 0.435 319 G N 0.731 109.621 108.800 0.150 0.000 2.587 319 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 319 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 319 G C 0.415 175.384 174.900 0.116 0.000 1.236 319 G CA -0.102 45.072 45.100 0.122 0.000 0.820 319 G HN 0.394 nan 8.290 nan 0.000 0.645 320 E N 0.092 120.354 120.200 0.103 0.000 2.107 320 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 320 E C 2.221 178.871 176.600 0.083 0.000 0.982 320 E CA 2.228 58.695 56.400 0.112 0.000 0.809 320 E CB -0.064 29.703 29.700 0.113 0.000 0.756 320 E HN 0.619 nan 8.360 nan 0.000 0.459 321 E N 0.862 121.104 120.200 0.071 0.000 2.118 321 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 321 E C 0.538 177.160 176.600 0.037 0.000 0.992 321 E CA 1.009 57.440 56.400 0.051 0.000 0.804 321 E CB -0.572 29.160 29.700 0.053 0.000 0.741 321 E HN 0.303 nan 8.360 nan 0.000 0.458 322 A N 2.241 125.093 122.820 0.053 0.000 2.537 322 A HA 0.105 4.425 4.320 -0.000 0.000 0.260 322 A C -1.490 176.109 177.584 0.025 0.000 1.082 322 A CA -0.972 51.089 52.037 0.040 0.000 0.765 322 A CB 0.024 19.071 19.000 0.078 0.000 1.019 322 A HN -0.015 nan 8.150 nan 0.000 0.507 323 P HA -0.048 nan 4.420 nan 0.000 0.218 323 P C 0.029 177.352 177.300 0.038 0.000 1.148 323 P CA 1.032 64.127 63.100 -0.008 0.000 0.822 323 P CB 0.110 31.783 31.700 -0.045 0.000 0.784 324 V N -0.836 119.119 119.914 0.070 0.000 2.531 324 V HA 0.493 4.613 4.120 -0.000 0.000 0.301 324 V C 0.856 177.061 176.094 0.184 0.000 1.034 324 V CA -0.354 62.037 62.300 0.152 0.000 0.865 324 V CB 1.614 33.545 31.823 0.179 0.000 0.995 324 V HN -0.089 nan 8.190 nan 0.000 0.424 325 A N 4.320 127.282 122.820 0.235 0.000 2.195 325 A HA 0.309 4.629 4.320 -0.000 0.000 0.210 325 A C 0.155 177.953 177.584 0.355 0.000 1.165 325 A CA 0.705 52.902 52.037 0.266 0.000 0.806 325 A CB 0.103 19.255 19.000 0.252 0.000 0.847 325 A HN 0.851 nan 8.150 nan 0.000 0.482 326 Y N -0.393 120.018 120.300 0.184 0.000 2.480 326 Y HA 0.463 5.013 4.550 0.000 0.000 0.329 326 Y C -0.420 175.522 175.900 0.069 0.000 1.127 326 Y CA -0.335 57.854 58.100 0.148 0.000 1.037 326 Y CB 1.392 39.977 38.460 0.208 0.000 1.320 326 Y HN 0.133 nan 8.280 nan 0.000 0.446 327 T N 3.880 118.129 114.554 -0.508 0.000 2.883 327 T HA 0.863 5.213 4.350 -0.000 0.000 0.296 327 T C -1.673 172.613 174.700 -0.690 0.000 1.117 327 T CA -0.865 60.933 62.100 -0.503 0.000 1.006 327 T CB 1.899 70.461 68.868 -0.510 0.000 1.191 327 T HN 0.650 nan 8.240 nan 0.000 0.508 328 L N 0.925 121.859 121.223 -0.482 0.000 2.434 328 L HA 0.457 4.797 4.340 -0.000 0.000 0.260 328 L C -0.778 175.921 176.870 -0.286 0.000 0.983 328 L CA -1.229 53.390 54.840 -0.368 0.000 0.820 328 L CB 2.307 44.224 42.059 -0.237 0.000 1.361 328 L HN 0.787 nan 8.230 nan 0.000 0.410 329 D N 1.294 121.568 120.400 -0.210 0.000 2.531 329 D HA -0.080 4.560 4.640 -0.000 0.000 0.239 329 D C -0.242 176.096 176.300 0.063 0.000 1.144 329 D CA 0.728 54.705 54.000 -0.040 0.000 0.869 329 D CB 1.063 41.966 40.800 0.173 0.000 1.160 329 D HN 0.523 nan 8.370 nan 0.000 0.484 330 D N 2.113 122.556 120.400 0.072 0.000 2.538 330 D HA 0.093 4.733 4.640 -0.000 0.000 0.231 330 D C -0.277 176.111 176.300 0.146 0.000 1.229 330 D CA -0.237 53.822 54.000 0.098 0.000 0.828 330 D CB 0.408 41.205 40.800 -0.006 0.000 1.035 330 D HN 0.202 nan 8.370 nan 0.000 0.495 331 T N 0.537 115.214 114.554 0.205 0.000 2.813 331 T HA 0.153 4.503 4.350 -0.000 0.000 0.297 331 T C 0.472 175.244 174.700 0.119 0.000 1.036 331 T CA -0.336 61.870 62.100 0.177 0.000 1.044 331 T CB 0.937 69.900 68.868 0.158 0.000 0.993 331 T HN -0.095 nan 8.240 nan 0.000 0.535 332 K N 2.141 122.563 120.400 0.038 0.000 2.098 332 K HA 0.215 4.535 4.320 -0.000 0.000 0.257 332 K C -1.520 174.952 176.600 -0.213 0.000 0.999 332 K CA -2.340 53.863 56.287 -0.140 0.000 0.924 332 K CB 0.552 33.006 32.500 -0.077 0.000 1.028 332 K HN 0.289 nan 8.250 nan 0.000 0.466 333 P HA -0.170 nan 4.420 nan 0.000 0.217 333 P C 0.320 177.555 177.300 -0.108 0.000 1.148 333 P CA 1.462 64.382 63.100 -0.300 0.000 0.828 333 P CB 0.353 31.819 31.700 -0.390 0.000 0.783 334 E N -0.919 119.230 120.200 -0.085 0.000 2.409 334 E HA 0.079 4.429 4.350 -0.000 0.000 0.198 334 E C 1.646 178.234 176.600 -0.021 0.000 1.024 334 E CA 1.092 57.476 56.400 -0.027 0.000 0.861 334 E CB -0.931 28.775 29.700 0.008 0.000 0.788 334 E HN 0.353 nan 8.360 nan 0.000 0.521 335 G N 0.583 109.369 108.800 -0.023 0.000 2.176 335 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.253 335 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.253 335 G C 0.079 174.959 174.900 -0.034 0.000 0.979 335 G CA 0.346 45.427 45.100 -0.031 0.000 0.641 335 G HN 0.400 nan 8.290 nan 0.000 0.530 336 N N -0.892 117.801 118.700 -0.011 0.000 2.563 336 N HA 0.544 5.284 4.740 -0.000 0.000 0.288 336 N C 0.501 176.048 175.510 0.061 0.000 1.246 336 N CA -1.030 51.978 53.050 -0.070 0.000 0.946 336 N CB -0.009 38.355 38.487 -0.205 0.000 1.213 336 N HN 0.533 nan 8.380 nan 0.000 0.578 337 Y N -2.520 117.814 120.300 0.056 0.000 3.108 337 Y HA -0.187 4.363 4.550 -0.000 0.000 0.208 337 Y C 0.646 176.669 175.900 0.205 0.000 1.245 337 Y CA 0.277 58.469 58.100 0.153 0.000 1.171 337 Y CB -2.349 36.174 38.460 0.105 0.000 1.331 337 Y HN 0.755 nan 8.280 nan 0.000 0.534 338 A N 0.261 123.217 122.820 0.226 0.000 2.598 338 A HA 0.461 4.781 4.320 -0.000 0.000 0.239 338 A C 0.777 178.584 177.584 0.373 0.000 1.032 338 A CA 0.742 52.929 52.037 0.250 0.000 0.760 338 A CB -0.010 19.078 19.000 0.146 0.000 0.946 338 A HN 1.550 nan 8.150 nan 0.000 0.512 339 A N 2.416 125.461 122.820 0.375 0.000 2.608 339 A HA 0.652 4.972 4.320 -0.000 0.000 0.292 339 A C -1.045 176.561 177.584 0.037 0.000 1.066 339 A CA -0.536 51.531 52.037 0.050 0.000 0.676 339 A CB 0.994 19.712 19.000 -0.470 0.000 1.277 339 A HN 0.773 nan 8.150 nan 0.000 0.413 340 I N 2.125 122.599 120.570 -0.161 0.000 2.465 340 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 340 I C -0.429 175.544 176.117 -0.239 0.000 1.014 340 I CA -0.419 60.653 61.300 -0.379 0.000 1.093 340 I CB 1.767 39.373 38.000 -0.657 0.000 1.267 340 I HN 0.768 nan 8.210 nan 0.000 0.431 341 M N 5.593 125.051 119.600 -0.236 0.000 2.205 341 M HA 0.653 5.133 4.480 -0.000 0.000 0.344 341 M C -0.445 175.729 176.300 -0.211 0.000 1.085 341 M CA -0.202 54.996 55.300 -0.171 0.000 1.001 341 M CB 1.264 33.780 32.600 -0.140 0.000 1.626 341 M HN 0.719 nan 8.290 nan 0.000 0.442 342 G N 4.060 112.799 108.800 -0.101 0.000 2.569 342 G HA2 0.743 4.703 3.960 -0.000 0.000 0.300 342 G HA3 0.743 4.703 3.960 -0.000 0.000 0.300 342 G C -1.980 172.876 174.900 -0.072 0.000 1.269 342 G CA -0.556 44.515 45.100 -0.047 0.000 0.959 342 G HN 0.656 nan 8.290 nan 0.000 0.478 343 F N 0.241 120.348 119.950 0.262 0.000 2.467 343 F HA 0.480 5.007 4.527 0.000 0.000 0.336 343 F C 0.310 176.226 175.800 0.193 0.000 1.123 343 F CA -0.760 57.394 58.000 0.256 0.000 0.964 343 F CB 2.312 41.499 39.000 0.311 0.000 1.136 343 F HN 0.034 nan 8.300 nan 0.000 0.447 344 I N 5.490 126.275 120.570 0.360 0.000 2.304 344 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 344 I C -0.735 175.473 176.117 0.151 0.000 1.018 344 I CA -0.381 61.042 61.300 0.204 0.000 1.260 344 I CB 0.969 39.056 38.000 0.145 0.000 1.390 344 I HN 0.395 nan 8.210 nan 0.000 0.475 345 L N 6.285 127.558 121.223 0.083 0.000 2.346 345 L HA 0.761 5.101 4.340 -0.000 0.000 0.274 345 L C 0.814 177.665 176.870 -0.031 0.000 1.007 345 L CA -0.284 54.566 54.840 0.016 0.000 0.818 345 L CB 1.637 43.711 42.059 0.025 0.000 1.284 345 L HN 0.906 nan 8.230 nan 0.000 0.424 346 A N 1.872 124.665 122.820 -0.045 0.000 5.382 346 A HA -0.347 3.973 4.320 -0.000 0.000 0.307 346 A C 1.550 179.150 177.584 0.025 0.000 1.937 346 A CA 1.400 53.426 52.037 -0.019 0.000 0.715 346 A CB -1.558 17.436 19.000 -0.009 0.000 1.293 346 A HN 1.094 nan 8.150 nan 0.000 0.374 347 H N 0.880 119.945 119.070 -0.008 0.000 2.457 347 H HA 0.041 4.597 4.556 0.000 0.000 0.294 347 H C 1.613 176.957 175.328 0.026 0.000 1.064 347 H CA 1.721 57.778 56.048 0.016 0.000 1.330 347 H CB -0.382 29.397 29.762 0.029 0.000 1.395 347 H HN 0.730 nan 8.280 nan 0.000 0.541 348 K N 0.657 120.786 120.400 -0.453 0.000 2.217 348 K HA 0.116 4.436 4.320 -0.000 0.000 0.202 348 K C 2.498 179.041 176.600 -0.095 0.000 1.051 348 K CA 0.736 56.838 56.287 -0.308 0.000 0.952 348 K CB 0.118 32.438 32.500 -0.301 0.000 0.736 348 K HN 0.302 nan 8.250 nan 0.000 0.453 349 A N 1.611 124.405 122.820 -0.044 0.000 1.898 349 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 349 A C 2.106 179.703 177.584 0.021 0.000 1.181 349 A CA 1.293 53.341 52.037 0.018 0.000 0.620 349 A CB -0.302 18.723 19.000 0.041 0.000 0.819 349 A HN 0.112 nan 8.150 nan 0.000 0.442 350 R N -0.301 120.212 120.500 0.021 0.000 2.073 350 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 350 R C 2.340 178.657 176.300 0.028 0.000 1.134 350 R CA 1.911 58.031 56.100 0.034 0.000 0.952 350 R CB -0.272 30.061 30.300 0.054 0.000 0.850 350 R HN 0.622 nan 8.270 nan 0.000 0.433 351 K N 0.339 120.752 120.400 0.021 0.000 2.025 351 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 351 K C 1.596 178.202 176.600 0.010 0.000 1.049 351 K CA 1.252 57.550 56.287 0.019 0.000 0.933 351 K CB 0.026 32.534 32.500 0.013 0.000 0.714 351 K HN 0.146 nan 8.250 nan 0.000 0.438 352 L N 0.306 121.531 121.223 0.003 0.000 2.558 352 L HA 0.092 4.432 4.340 -0.000 0.000 0.225 352 L C 2.305 179.189 176.870 0.022 0.000 1.128 352 L CA 0.247 55.092 54.840 0.010 0.000 0.868 352 L CB -0.190 41.873 42.059 0.006 0.000 1.006 352 L HN 0.225 nan 8.230 nan 0.000 0.454 353 A N 0.908 123.743 122.820 0.025 0.000 1.940 353 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 353 A C 2.331 179.927 177.584 0.021 0.000 1.176 353 A CA 1.445 53.498 52.037 0.027 0.000 0.631 353 A CB -0.425 18.589 19.000 0.025 0.000 0.814 353 A HN 0.349 nan 8.150 nan 0.000 0.446 354 R N -0.673 119.837 120.500 0.017 0.000 2.261 354 R HA -0.032 4.308 4.340 -0.000 0.000 0.236 354 R C 0.237 176.544 176.300 0.012 0.000 1.141 354 R CA 0.479 56.587 56.100 0.013 0.000 1.001 354 R CB -0.612 29.696 30.300 0.013 0.000 0.866 354 R HN 0.490 nan 8.270 nan 0.000 0.468 355 L N -0.170 121.062 121.223 0.014 0.000 2.469 355 L HA 0.200 4.540 4.340 -0.000 0.000 0.253 355 L C 1.008 177.889 176.870 0.019 0.000 1.143 355 L CA -0.773 54.074 54.840 0.013 0.000 0.804 355 L CB 0.590 42.654 42.059 0.008 0.000 1.214 355 L HN 0.068 nan 8.230 nan 0.000 0.476 356 T N -3.362 111.203 114.554 0.017 0.000 2.847 356 T HA 0.157 4.507 4.350 -0.000 0.000 0.279 356 T C 0.855 175.582 174.700 0.045 0.000 0.984 356 T CA -0.695 61.421 62.100 0.026 0.000 0.988 356 T CB 1.376 70.255 68.868 0.018 0.000 1.040 356 T HN 0.587 nan 8.240 nan 0.000 0.528 357 K N 0.204 120.646 120.400 0.071 0.000 2.044 357 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 357 K C 2.032 178.688 176.600 0.094 0.000 1.049 357 K CA 1.974 58.347 56.287 0.144 0.000 0.927 357 K CB -0.197 32.395 32.500 0.154 0.000 0.713 357 K HN 0.679 nan 8.250 nan 0.000 0.443 358 E N 0.518 120.739 120.200 0.035 0.000 2.106 358 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 358 E C 1.777 178.339 176.600 -0.064 0.000 0.984 358 E CA 1.228 57.614 56.400 -0.023 0.000 0.806 358 E CB 0.026 29.722 29.700 -0.006 0.000 0.750 358 E HN 0.352 nan 8.360 nan 0.000 0.458 359 E N 0.214 120.394 120.200 -0.035 0.000 2.110 359 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 359 E C 2.126 178.683 176.600 -0.071 0.000 0.988 359 E CA 0.840 57.214 56.400 -0.043 0.000 0.804 359 E CB -0.020 29.669 29.700 -0.019 0.000 0.745 359 E HN 0.117 nan 8.360 nan 0.000 0.458 360 R N 0.137 120.599 120.500 -0.062 0.000 2.073 360 R HA -0.109 4.231 4.340 -0.000 0.000 0.229 360 R C 2.404 178.562 176.300 -0.237 0.000 1.120 360 R CA 0.593 56.645 56.100 -0.080 0.000 0.967 360 R CB -0.274 30.048 30.300 0.036 0.000 0.862 360 R HN 0.110 nan 8.270 nan 0.000 0.436 361 L N 1.874 122.836 121.223 -0.436 0.000 1.971 361 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 361 L C 2.180 178.842 176.870 -0.347 0.000 1.072 361 L CA 1.965 56.395 54.840 -0.682 0.000 0.758 361 L CB -0.603 41.031 42.059 -0.709 0.000 0.889 361 L HN 0.010 nan 8.230 nan 0.000 0.433 362 K N -0.544 119.726 120.400 -0.218 0.000 2.044 362 K HA -0.252 4.068 4.320 -0.000 0.000 0.210 362 K C 2.186 178.704 176.600 -0.137 0.000 1.049 362 K CA 1.979 58.186 56.287 -0.134 0.000 0.927 362 K CB -0.137 32.311 32.500 -0.087 0.000 0.713 362 K HN 0.349 nan 8.250 nan 0.000 0.443 363 K N 0.057 120.369 120.400 -0.146 0.000 2.063 363 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 363 K C 2.080 178.543 176.600 -0.229 0.000 1.048 363 K CA 1.246 57.446 56.287 -0.145 0.000 0.928 363 K CB -0.110 32.323 32.500 -0.111 0.000 0.713 363 K HN 0.068 nan 8.250 nan 0.000 0.442 364 L N 0.868 121.903 121.223 -0.313 0.000 2.027 364 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 364 L C 2.462 178.968 176.870 -0.607 0.000 1.074 364 L CA 1.459 55.946 54.840 -0.588 0.000 0.745 364 L CB -0.950 40.805 42.059 -0.506 0.000 0.898 364 L HN 0.245 nan 8.230 nan 0.000 0.433 365 C N -0.494 118.654 119.300 -0.253 0.000 2.413 365 C HA -0.191 4.269 4.460 -0.000 0.000 0.277 365 C C 2.642 177.623 174.990 -0.015 0.000 1.228 365 C CA 0.678 59.687 59.018 -0.014 0.000 1.731 365 C CB -0.823 26.939 27.740 0.037 0.000 2.042 365 C HN 0.549 nan 8.230 nan 0.000 0.468 366 E N 0.224 120.385 120.200 -0.065 0.000 2.118 366 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 366 E C 1.958 178.522 176.600 -0.059 0.000 0.992 366 E CA 1.234 57.607 56.400 -0.045 0.000 0.804 366 E CB -0.268 29.402 29.700 -0.049 0.000 0.741 366 E HN 0.578 nan 8.360 nan 0.000 0.458 367 L N -0.057 121.083 121.223 -0.138 0.000 2.023 367 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 367 L C 1.995 178.850 176.870 -0.024 0.000 1.073 367 L CA 1.670 56.433 54.840 -0.129 0.000 0.745 367 L CB -0.640 41.290 42.059 -0.214 0.000 0.900 367 L HN 0.168 nan 8.230 nan 0.000 0.435 368 Y N -0.366 119.907 120.300 -0.045 0.000 2.224 368 Y HA -0.229 4.321 4.550 -0.000 0.000 0.289 368 Y C 2.546 178.440 175.900 -0.010 0.000 1.146 368 Y CA 0.367 58.438 58.100 -0.048 0.000 1.182 368 Y CB -0.513 37.949 38.460 0.004 0.000 0.983 368 Y HN 0.403 nan 8.280 nan 0.000 0.524 369 A N 0.524 123.440 122.820 0.159 0.000 1.972 369 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 369 A C 2.126 179.751 177.584 0.068 0.000 1.169 369 A CA 1.527 53.628 52.037 0.106 0.000 0.635 369 A CB -0.370 18.668 19.000 0.062 0.000 0.810 369 A HN 0.366 nan 8.150 nan 0.000 0.446 370 K N -0.587 119.832 120.400 0.031 0.000 2.007 370 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 370 K C 1.904 178.497 176.600 -0.012 0.000 1.047 370 K CA 1.365 57.661 56.287 0.014 0.000 0.937 370 K CB -0.385 32.105 32.500 -0.017 0.000 0.718 370 K HN 0.298 nan 8.250 nan 0.000 0.438 371 V N 1.957 121.799 119.914 -0.121 0.000 2.427 371 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 371 V C 2.104 178.136 176.094 -0.104 0.000 1.051 371 V CA 1.463 63.650 62.300 -0.188 0.000 1.048 371 V CB -0.332 31.324 31.823 -0.279 0.000 0.666 371 V HN 0.265 nan 8.190 nan 0.000 0.456 372 L N 0.140 121.324 121.223 -0.065 0.000 2.446 372 L HA 0.271 4.611 4.340 -0.000 0.000 0.219 372 L C 1.665 178.623 176.870 0.146 0.000 1.116 372 L CA 0.815 55.633 54.840 -0.037 0.000 0.844 372 L CB -0.531 41.599 42.059 0.119 0.000 0.970 372 L HN 0.543 nan 8.230 nan 0.000 0.457 373 G N 0.612 109.483 108.800 0.118 0.000 2.246 373 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.273 373 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.273 373 G C -0.021 174.962 174.900 0.139 0.000 1.055 373 G CA 0.366 45.546 45.100 0.133 0.000 0.851 373 G HN 0.303 nan 8.290 nan 0.000 0.500 374 S N -0.888 114.887 115.700 0.126 0.000 2.672 374 S HA 0.481 4.951 4.470 -0.000 0.000 0.291 374 S C 1.190 175.763 174.600 -0.046 0.000 1.145 374 S CA -0.748 57.492 58.200 0.066 0.000 1.013 374 S CB 1.619 64.932 63.200 0.189 0.000 1.017 374 S HN 0.271 nan 8.310 nan 0.000 0.487 375 L N 2.163 123.334 121.223 -0.086 0.000 2.362 375 L HA -0.024 4.316 4.340 -0.000 0.000 0.219 375 L C 2.127 178.888 176.870 -0.182 0.000 1.134 375 L CA 1.045 55.830 54.840 -0.092 0.000 0.807 375 L CB -0.275 41.747 42.059 -0.062 0.000 0.927 375 L HN 0.691 nan 8.230 nan 0.000 0.447 376 E N 0.551 120.511 120.200 -0.401 0.000 2.265 376 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 376 E C 2.241 178.436 176.600 -0.674 0.000 0.996 376 E CA 0.938 56.930 56.400 -0.679 0.000 0.832 376 E CB -0.092 28.839 29.700 -1.280 0.000 0.756 376 E HN 0.514 nan 8.360 nan 0.000 0.491 377 A N 0.766 123.310 122.820 -0.461 0.000 2.121 377 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 377 A C 1.845 179.598 177.584 0.282 0.000 1.154 377 A CA 0.698 52.751 52.037 0.027 0.000 0.679 377 A CB -0.225 18.918 19.000 0.238 0.000 0.795 377 A HN 0.159 nan 8.150 nan 0.000 0.458 378 L N -1.199 120.093 121.223 0.116 0.000 2.629 378 L HA 0.188 4.528 4.340 -0.000 0.000 0.230 378 L C 0.654 177.605 176.870 0.135 0.000 1.151 378 L CA 0.254 55.163 54.840 0.114 0.000 0.924 378 L CB 0.084 42.167 42.059 0.041 0.000 1.137 378 L HN 0.257 nan 8.230 nan 0.000 0.457 379 E N 0.766 121.102 120.200 0.226 0.000 4.170 379 E HA 0.196 4.546 4.350 -0.000 0.000 0.215 379 E C -2.346 174.418 176.600 0.275 0.000 1.119 379 E CA -1.491 55.018 56.400 0.182 0.000 1.396 379 E CB 0.714 30.472 29.700 0.097 0.000 1.182 379 E HN 0.041 nan 8.360 nan 0.000 0.438 380 P HA 0.031 nan 4.420 nan 0.000 0.276 380 P C 0.779 178.139 177.300 0.099 0.000 1.244 380 P CA -0.241 62.892 63.100 0.056 0.000 0.801 380 P CB 1.790 33.421 31.700 -0.116 0.000 1.006 381 V N -2.618 117.371 119.914 0.124 0.000 3.431 381 V HA 0.292 4.412 4.120 -0.000 0.000 0.253 381 V C 0.560 176.780 176.094 0.210 0.000 1.184 381 V CA 0.859 63.252 62.300 0.154 0.000 1.104 381 V CB -1.209 30.707 31.823 0.156 0.000 0.799 381 V HN 0.677 nan 8.190 nan 0.000 0.462 382 H N -1.099 118.034 119.070 0.105 0.000 3.003 382 H HA 0.640 5.196 4.556 0.000 0.000 0.327 382 H C -2.201 173.308 175.328 0.302 0.000 1.353 382 H CA -0.816 55.292 56.048 0.100 0.000 1.142 382 H CB 2.086 31.779 29.762 -0.115 0.000 1.864 382 H HN 0.173 nan 8.280 nan 0.000 0.529 383 Y N 1.497 121.490 120.300 -0.513 0.000 2.482 383 Y HA 0.488 5.038 4.550 -0.000 0.000 0.334 383 Y C -1.860 173.890 175.900 -0.250 0.000 1.091 383 Y CA -0.627 57.380 58.100 -0.155 0.000 1.027 383 Y CB 1.677 40.076 38.460 -0.102 0.000 1.306 383 Y HN 0.644 nan 8.280 nan 0.000 0.446 384 E N 4.471 124.403 120.200 -0.446 0.000 2.317 384 E HA 0.433 4.783 4.350 -0.000 0.000 0.270 384 E C -1.533 174.733 176.600 -0.557 0.000 0.885 384 E CA -0.855 55.291 56.400 -0.423 0.000 0.760 384 E CB 2.870 32.565 29.700 -0.007 0.000 1.227 384 E HN 0.762 nan 8.360 nan 0.000 0.434 385 E N 0.525 120.490 120.200 -0.391 0.000 2.392 385 E HA 0.647 4.997 4.350 -0.000 0.000 0.279 385 E C -1.230 175.332 176.600 -0.063 0.000 0.964 385 E CA -1.057 55.218 56.400 -0.208 0.000 0.777 385 E CB 2.638 32.190 29.700 -0.247 0.000 1.249 385 E HN 0.170 nan 8.360 nan 0.000 0.449 386 K N 1.464 121.880 120.400 0.027 0.000 2.535 386 K HA 0.299 4.619 4.320 -0.000 0.000 0.250 386 K C -1.529 175.036 176.600 -0.058 0.000 0.948 386 K CA -0.791 55.439 56.287 -0.094 0.000 0.796 386 K CB 1.475 33.852 32.500 -0.204 0.000 1.216 386 K HN 0.521 nan 8.250 nan 0.000 0.432 387 N N 4.048 122.659 118.700 -0.150 0.000 2.462 387 N HA 0.122 4.862 4.740 -0.000 0.000 0.242 387 N C -0.446 174.988 175.510 -0.127 0.000 1.010 387 N CA -0.400 52.628 53.050 -0.036 0.000 0.939 387 N CB 0.374 38.847 38.487 -0.023 0.000 1.127 387 N HN 0.644 nan 8.380 nan 0.000 0.509 388 W N 2.148 123.480 121.300 0.054 0.000 3.180 388 W HA 0.136 4.795 4.660 -0.000 0.000 0.254 388 W C 1.778 178.309 176.519 0.020 0.000 1.318 388 W CA -0.224 57.146 57.345 0.042 0.000 1.608 388 W CB -0.019 29.482 29.460 0.067 0.000 1.124 388 W HN 0.583 nan 8.180 nan 0.000 0.694 389 C N 0.261 119.660 119.300 0.164 0.000 2.448 389 C HA -0.131 4.329 4.460 -0.000 0.000 0.280 389 C C 2.427 177.440 174.990 0.039 0.000 1.398 389 C CA 1.370 60.444 59.018 0.092 0.000 1.774 389 C CB -1.292 26.486 27.740 0.063 0.000 1.888 389 C HN 0.503 nan 8.230 nan 0.000 0.519 390 E N 0.792 120.992 120.200 0.001 0.000 2.478 390 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 390 E C -0.047 176.522 176.600 -0.051 0.000 1.045 390 E CA 0.416 56.793 56.400 -0.039 0.000 0.868 390 E CB -0.190 29.471 29.700 -0.064 0.000 0.885 390 E HN 0.479 nan 8.360 nan 0.000 0.505 391 E N 2.235 122.422 120.200 -0.022 0.000 2.166 391 E HA -0.039 4.311 4.350 -0.000 0.000 0.279 391 E C 0.480 177.068 176.600 -0.021 0.000 1.095 391 E CA 0.055 56.452 56.400 -0.005 0.000 0.888 391 E CB 1.411 31.166 29.700 0.093 0.000 1.041 391 E HN 0.381 nan 8.360 nan 0.000 0.414 392 Q N 2.922 122.647 119.800 -0.125 0.000 2.234 392 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 392 Q C 0.243 175.991 176.000 -0.421 0.000 0.980 392 Q CA 1.585 57.193 55.803 -0.324 0.000 0.869 392 Q CB 0.122 28.549 28.738 -0.518 0.000 0.912 392 Q HN 0.606 nan 8.270 nan 0.000 0.436 393 Y N -1.381 118.952 120.300 0.054 0.000 2.584 393 Y HA 0.288 4.838 4.550 -0.000 0.000 0.254 393 Y C 1.470 177.433 175.900 0.104 0.000 1.177 393 Y CA -0.378 57.763 58.100 0.069 0.000 1.216 393 Y CB 1.090 39.586 38.460 0.060 0.000 1.172 393 Y HN 0.080 nan 8.280 nan 0.000 0.529 394 S N -1.394 114.440 115.700 0.223 0.000 2.641 394 S HA 0.257 4.727 4.470 -0.000 0.000 0.239 394 S C 1.849 176.525 174.600 0.127 0.000 1.081 394 S CA 0.590 58.916 58.200 0.210 0.000 0.904 394 S CB 0.573 63.971 63.200 0.329 0.000 0.803 394 S HN 0.546 nan 8.310 nan 0.000 0.510 395 G N 1.151 110.007 108.800 0.093 0.000 2.176 395 G HA2 0.115 4.075 3.960 -0.000 0.000 0.253 395 G HA3 0.115 4.075 3.960 -0.000 0.000 0.253 395 G C 0.517 175.453 174.900 0.060 0.000 0.979 395 G CA 0.091 45.215 45.100 0.040 0.000 0.641 395 G HN 1.395 nan 8.290 nan 0.000 0.530 396 G N -2.485 106.392 108.800 0.128 0.000 2.346 396 G HA2 0.486 4.446 3.960 -0.000 0.000 0.294 396 G HA3 0.486 4.446 3.960 -0.000 0.000 0.294 396 G C -0.669 174.316 174.900 0.141 0.000 1.294 396 G CA 0.230 45.416 45.100 0.143 0.000 0.962 396 G HN 1.485 nan 8.290 nan 0.000 0.508 397 C N -2.026 117.312 119.300 0.062 0.000 3.332 397 C HA 0.623 5.083 4.460 -0.000 0.000 0.329 397 C C 1.173 176.054 174.990 -0.181 0.000 1.434 397 C CA -0.514 58.471 59.018 -0.055 0.000 1.314 397 C CB 0.584 28.199 27.740 -0.208 0.000 1.664 397 C HN 0.735 nan 8.230 nan 0.000 0.457 398 Y N 0.752 120.970 120.300 -0.137 0.000 2.207 398 Y HA 0.110 4.660 4.550 -0.000 0.000 0.287 398 Y C 1.621 177.470 175.900 -0.085 0.000 1.156 398 Y CA 1.749 59.739 58.100 -0.183 0.000 1.182 398 Y CB -0.668 37.666 38.460 -0.210 0.000 0.979 398 Y HN 0.710 nan 8.280 nan 0.000 0.521 399 T N -2.277 112.347 114.554 0.118 0.000 2.665 399 T HA 0.340 4.690 4.350 -0.000 0.000 0.303 399 T C -0.814 173.976 174.700 0.151 0.000 1.334 399 T CA -0.691 61.511 62.100 0.171 0.000 1.011 399 T CB 1.182 70.234 68.868 0.306 0.000 1.573 399 T HN -0.152 nan 8.240 nan 0.000 0.492 400 T N 2.482 117.140 114.554 0.174 0.000 2.832 400 T HA 0.530 4.880 4.350 -0.000 0.000 0.296 400 T C -0.986 173.740 174.700 0.043 0.000 0.968 400 T CA 0.002 62.115 62.100 0.022 0.000 1.107 400 T CB -0.329 68.542 68.868 0.004 0.000 0.916 400 T HN 0.454 nan 8.240 nan 0.000 0.517 401 Y N 1.380 121.483 120.300 -0.328 0.000 2.487 401 Y HA 0.793 5.343 4.550 -0.000 0.000 0.337 401 Y C -1.367 173.965 175.900 -0.946 0.000 1.076 401 Y CA -2.261 55.305 58.100 -0.889 0.000 1.115 401 Y CB 0.694 38.770 38.460 -0.639 0.000 1.235 401 Y HN 0.380 nan 8.280 nan 0.000 0.468 402 F N 3.563 122.662 119.950 -1.418 0.000 2.388 402 F HA 0.567 5.094 4.527 -0.000 0.000 0.358 402 F C -2.318 173.382 175.800 -0.167 0.000 1.122 402 F CA -2.906 54.705 58.000 -0.648 0.000 1.056 402 F CB 1.275 39.968 39.000 -0.511 0.000 1.155 402 F HN 0.353 nan 8.300 nan 0.000 0.461 403 P HA 0.164 nan 4.420 nan 0.000 0.274 403 P C -2.583 174.808 177.300 0.152 0.000 1.246 403 P CA -1.409 61.774 63.100 0.138 0.000 0.795 403 P CB -0.093 31.642 31.700 0.057 0.000 1.006 404 P HA 0.035 nan 4.420 nan 0.000 0.268 404 P C 0.861 178.245 177.300 0.139 0.000 1.204 404 P CA 1.011 64.207 63.100 0.160 0.000 0.768 404 P CB -0.006 31.775 31.700 0.136 0.000 0.842 405 G N 2.744 111.640 108.800 0.161 0.000 2.195 405 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.246 405 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.246 405 G C 0.740 175.748 174.900 0.181 0.000 0.984 405 G CA 0.073 45.260 45.100 0.145 0.000 0.633 405 G HN 0.438 nan 8.290 nan 0.000 0.525 406 I N -0.038 120.664 120.570 0.220 0.000 2.494 406 I HA 0.193 4.363 4.170 -0.000 0.000 0.250 406 I C 2.561 178.897 176.117 0.365 0.000 1.112 406 I CA 1.125 62.601 61.300 0.293 0.000 1.438 406 I CB -1.175 36.917 38.000 0.153 0.000 1.111 406 I HN 0.248 nan 8.210 nan 0.000 0.431 407 L N 1.272 122.707 121.223 0.354 0.000 2.131 407 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 407 L C 2.446 179.406 176.870 0.150 0.000 1.092 407 L CA 2.242 57.206 54.840 0.207 0.000 0.759 407 L CB -0.833 41.258 42.059 0.054 0.000 0.903 407 L HN 0.412 nan 8.230 nan 0.000 0.435 408 T N -5.050 109.593 114.554 0.148 0.000 3.035 408 T HA -0.035 4.315 4.350 -0.000 0.000 0.259 408 T C 1.708 176.374 174.700 -0.058 0.000 1.078 408 T CA 0.363 62.519 62.100 0.093 0.000 1.132 408 T CB -0.133 68.799 68.868 0.107 0.000 0.900 408 T HN 0.305 nan 8.240 nan 0.000 0.480 409 Q N -0.411 119.349 119.800 -0.066 0.000 2.376 409 Q HA 0.195 4.535 4.340 -0.000 0.000 0.206 409 Q C 0.597 176.259 176.000 -0.565 0.000 0.921 409 Q CA 0.862 56.479 55.803 -0.310 0.000 0.911 409 Q CB 0.236 28.787 28.738 -0.311 0.000 1.032 409 Q HN 0.748 nan 8.270 nan 0.000 0.510 410 Y N -2.023 118.200 120.300 -0.128 0.000 2.476 410 Y HA 0.249 4.799 4.550 0.000 0.000 0.261 410 Y C 1.953 177.725 175.900 -0.213 0.000 1.077 410 Y CA 0.092 58.102 58.100 -0.151 0.000 1.240 410 Y CB 0.479 38.887 38.460 -0.086 0.000 1.317 410 Y HN 0.077 nan 8.280 nan 0.000 0.540 411 G N 1.394 110.097 108.800 -0.162 0.000 2.443 411 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 411 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 411 G C 1.752 176.230 174.900 -0.703 0.000 1.131 411 G CA 0.849 45.795 45.100 -0.258 0.000 0.775 411 G HN 0.338 nan 8.290 nan 0.000 0.547 412 R N 0.320 120.095 120.500 -1.208 0.000 2.148 412 R HA 0.053 4.393 4.340 -0.000 0.000 0.227 412 R C 1.880 177.976 176.300 -0.339 0.000 1.103 412 R CA 1.104 56.613 56.100 -0.985 0.000 0.983 412 R CB -0.825 28.918 30.300 -0.927 0.000 0.874 412 R HN 0.213 nan 8.270 nan 0.000 0.451 413 V N 1.902 121.652 119.914 -0.272 0.000 2.913 413 V HA -0.144 3.976 4.120 -0.000 0.000 0.260 413 V C 2.488 178.485 176.094 -0.161 0.000 1.098 413 V CA 1.050 63.249 62.300 -0.167 0.000 1.121 413 V CB -0.434 31.314 31.823 -0.125 0.000 0.714 413 V HN 0.275 nan 8.190 nan 0.000 0.487 414 L N 0.584 121.747 121.223 -0.101 0.000 2.012 414 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 414 L C 2.373 179.194 176.870 -0.082 0.000 1.073 414 L CA 2.089 56.888 54.840 -0.069 0.000 0.748 414 L CB -0.196 41.920 42.059 0.095 0.000 0.891 414 L HN 0.456 nan 8.230 nan 0.000 0.431 415 R N -0.952 119.595 120.500 0.079 0.000 2.577 415 R HA 0.163 4.503 4.340 -0.000 0.000 0.344 415 R C 0.428 176.881 176.300 0.256 0.000 1.037 415 R CA -0.246 55.995 56.100 0.234 0.000 1.102 415 R CB -0.029 30.460 30.300 0.315 0.000 1.313 415 R HN 0.210 nan 8.270 nan 0.000 0.561 416 Q N 2.669 122.542 119.800 0.122 0.000 2.297 416 Q HA 0.196 4.536 4.340 -0.000 0.000 0.267 416 Q C -2.123 174.010 176.000 0.221 0.000 1.006 416 Q CA -2.149 53.725 55.803 0.118 0.000 0.896 416 Q CB 0.938 29.688 28.738 0.020 0.000 1.186 416 Q HN 0.048 nan 8.270 nan 0.000 0.392 417 P HA -0.031 nan 4.420 nan 0.000 0.268 417 P C -1.190 176.100 177.300 -0.016 0.000 1.205 417 P CA -0.020 62.994 63.100 -0.144 0.000 0.771 417 P CB 0.642 31.972 31.700 -0.616 0.000 0.858 418 V N 3.310 123.232 119.914 0.012 0.000 2.259 418 V HA 0.134 4.254 4.120 -0.000 0.000 0.267 418 V C 0.822 176.885 176.094 -0.051 0.000 1.051 418 V CA 0.215 62.526 62.300 0.018 0.000 0.830 418 V CB -0.326 31.553 31.823 0.092 0.000 1.080 418 V HN 0.764 nan 8.190 nan 0.000 0.467 419 D N 4.032 124.404 120.400 -0.047 0.000 4.508 419 D HA -0.312 4.328 4.640 -0.000 0.000 0.178 419 D C 1.400 177.701 176.300 0.000 0.000 0.644 419 D CA 2.501 56.494 54.000 -0.011 0.000 1.244 419 D CB -0.393 40.413 40.800 0.010 0.000 0.727 419 D HN 0.533 nan 8.370 nan 0.000 0.495 420 R N -0.237 120.286 120.500 0.039 0.000 2.432 420 R HA 0.446 4.786 4.340 -0.000 0.000 0.260 420 R C -0.175 176.240 176.300 0.191 0.000 0.935 420 R CA -0.139 56.087 56.100 0.210 0.000 1.080 420 R CB 0.429 30.791 30.300 0.103 0.000 1.155 420 R HN 0.299 nan 8.270 nan 0.000 0.531 421 I N 0.919 121.434 120.570 -0.092 0.000 2.353 421 I HA 0.222 4.392 4.170 -0.000 0.000 0.293 421 I C -0.601 175.101 176.117 -0.692 0.000 0.992 421 I CA -0.680 60.478 61.300 -0.237 0.000 1.268 421 I CB 0.771 38.618 38.000 -0.255 0.000 1.387 421 I HN -0.115 nan 8.210 nan 0.000 0.478 422 Y N 4.979 124.991 120.300 -0.481 0.000 2.468 422 Y HA 0.543 5.093 4.550 -0.000 0.000 0.342 422 Y C -0.599 174.912 175.900 -0.648 0.000 1.021 422 Y CA -0.729 57.100 58.100 -0.452 0.000 1.079 422 Y CB 1.564 39.913 38.460 -0.184 0.000 1.226 422 Y HN 0.277 nan 8.280 nan 0.000 0.460 423 F N 1.547 121.593 119.950 0.159 0.000 2.402 423 F HA 0.720 5.247 4.527 -0.000 0.000 0.355 423 F C 0.462 176.336 175.800 0.123 0.000 1.123 423 F CA -0.569 57.504 58.000 0.121 0.000 1.021 423 F CB 1.009 40.063 39.000 0.090 0.000 1.160 423 F HN 0.602 nan 8.300 nan 0.000 0.451 424 A N 2.309 125.269 122.820 0.233 0.000 3.687 424 A HA 0.947 5.267 4.320 -0.000 0.000 0.164 424 A C 0.431 178.135 177.584 0.200 0.000 1.564 424 A CA -0.406 51.736 52.037 0.175 0.000 0.896 424 A CB -0.161 18.902 19.000 0.105 0.000 1.731 424 A HN 1.483 nan 8.150 nan 0.000 0.607 425 G N -2.423 106.475 108.800 0.165 0.000 2.767 425 G HA2 0.057 4.017 3.960 -0.000 0.000 0.686 425 G HA3 0.057 4.017 3.960 -0.000 0.000 0.686 425 G C 0.468 175.490 174.900 0.204 0.000 1.213 425 G CA 0.614 45.818 45.100 0.173 0.000 0.803 425 G HN 1.530 nan 8.290 nan 0.000 0.603 426 T N 0.417 115.092 114.554 0.201 0.000 2.778 426 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 426 T C 2.140 177.033 174.700 0.320 0.000 1.050 426 T CA 2.742 64.988 62.100 0.243 0.000 1.137 426 T CB -0.184 68.817 68.868 0.222 0.000 0.860 426 T HN 0.646 nan 8.240 nan 0.000 0.468 427 E N 0.384 120.777 120.200 0.322 0.000 2.267 427 E HA -0.070 4.280 4.350 -0.000 0.000 0.197 427 E C 2.240 179.091 176.600 0.419 0.000 0.998 427 E CA 1.558 58.200 56.400 0.403 0.000 0.830 427 E CB -0.194 29.704 29.700 0.331 0.000 0.751 427 E HN 0.723 nan 8.360 nan 0.000 0.491 428 T N -2.567 112.199 114.554 0.354 0.000 3.107 428 T HA 0.444 4.794 4.350 -0.000 0.000 0.249 428 T C 0.823 175.766 174.700 0.405 0.000 1.096 428 T CA 0.037 62.350 62.100 0.354 0.000 1.012 428 T CB 0.204 69.257 68.868 0.308 0.000 0.977 428 T HN 0.104 nan 8.240 nan 0.000 0.527 429 A N 1.858 124.921 122.820 0.406 0.000 2.346 429 A HA 0.530 4.850 4.320 -0.000 0.000 0.252 429 A C 1.496 179.360 177.584 0.468 0.000 1.089 429 A CA 0.129 52.410 52.037 0.407 0.000 0.797 429 A CB 0.289 19.486 19.000 0.328 0.000 1.047 429 A HN 0.495 nan 8.150 nan 0.000 0.494 430 T N -2.502 112.301 114.554 0.415 0.000 3.044 430 T HA 0.251 4.601 4.350 -0.000 0.000 0.260 430 T C 0.205 175.018 174.700 0.188 0.000 1.019 430 T CA 0.667 62.966 62.100 0.332 0.000 0.921 430 T CB -0.395 68.594 68.868 0.202 0.000 1.053 430 T HN 0.767 nan 8.240 nan 0.000 0.533 431 H N -1.120 117.981 119.070 0.052 0.000 3.096 431 H HA 0.267 4.823 4.556 0.000 0.000 0.335 431 H C -1.007 174.354 175.328 0.055 0.000 0.990 431 H CA -1.117 54.891 56.048 -0.067 0.000 1.393 431 H CB 0.883 30.662 29.762 0.028 0.000 1.742 431 H HN 0.288 nan 8.280 nan 0.000 0.501 432 W N 2.182 123.273 121.300 -0.349 0.000 4.849 432 W HA -0.253 4.407 4.660 0.000 0.000 0.358 432 W C 0.502 177.004 176.519 -0.027 0.000 1.331 432 W CA 0.996 58.129 57.345 -0.354 0.000 0.844 432 W CB -1.679 27.466 29.460 -0.526 0.000 2.434 432 W HN 0.450 nan 8.180 nan 0.000 1.458 433 S N 0.679 116.440 115.700 0.102 0.000 2.596 433 S HA 0.376 4.846 4.470 -0.000 0.000 0.298 433 S C 1.318 176.095 174.600 0.294 0.000 1.255 433 S CA 1.655 60.005 58.200 0.251 0.000 1.083 433 S CB 0.653 64.077 63.200 0.374 0.000 0.837 433 S HN 1.302 nan 8.310 nan 0.000 0.499 434 G N 3.672 112.698 108.800 0.378 0.000 2.380 434 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.197 434 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.197 434 G C -0.222 174.702 174.900 0.039 0.000 1.001 434 G CA -0.088 45.204 45.100 0.320 0.000 0.668 434 G HN 0.670 nan 8.290 nan 0.000 0.483 435 Y N -0.044 120.364 120.300 0.180 0.000 2.618 435 Y HA 0.724 5.274 4.550 -0.000 0.000 0.326 435 Y C 2.075 178.012 175.900 0.061 0.000 1.168 435 Y CA -0.744 57.414 58.100 0.096 0.000 1.269 435 Y CB 0.674 39.168 38.460 0.056 0.000 1.388 435 Y HN -0.032 nan 8.280 nan 0.000 0.528 436 M N -0.042 119.667 119.600 0.182 0.000 2.296 436 M HA -0.143 4.337 4.480 -0.000 0.000 0.265 436 M C 1.698 178.058 176.300 0.101 0.000 1.064 436 M CA 1.476 56.846 55.300 0.116 0.000 1.109 436 M CB -0.131 32.537 32.600 0.114 0.000 1.396 436 M HN 0.756 nan 8.290 nan 0.000 0.430 437 E N 0.667 120.915 120.200 0.079 0.000 2.047 437 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 437 E C 1.953 178.617 176.600 0.106 0.000 0.987 437 E CA 1.933 58.346 56.400 0.022 0.000 0.799 437 E CB -0.589 29.006 29.700 -0.175 0.000 0.752 437 E HN 0.377 nan 8.360 nan 0.000 0.449 438 G N 0.277 109.188 108.800 0.185 0.000 2.422 438 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 438 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 438 G C 1.712 176.726 174.900 0.190 0.000 1.140 438 G CA 1.067 46.297 45.100 0.216 0.000 0.775 438 G HN 0.465 nan 8.290 nan 0.000 0.545 439 A N 0.392 123.311 122.820 0.165 0.000 1.884 439 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 439 A C 2.630 180.275 177.584 0.103 0.000 1.197 439 A CA 2.293 54.408 52.037 0.131 0.000 0.637 439 A CB -0.860 18.205 19.000 0.108 0.000 0.827 439 A HN 0.307 nan 8.150 nan 0.000 0.450 440 V N 0.111 120.078 119.914 0.089 0.000 2.295 440 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 440 V C 2.575 178.713 176.094 0.074 0.000 1.049 440 V CA 2.319 64.659 62.300 0.066 0.000 1.024 440 V CB -0.864 30.991 31.823 0.054 0.000 0.648 440 V HN 0.812 nan 8.190 nan 0.000 0.447 441 E N 0.715 120.979 120.200 0.106 0.000 2.049 441 E HA -0.281 4.069 4.350 -0.000 0.000 0.198 441 E C 2.159 178.813 176.600 0.091 0.000 1.007 441 E CA 1.855 58.330 56.400 0.126 0.000 0.809 441 E CB -0.247 29.573 29.700 0.200 0.000 0.749 441 E HN 0.539 nan 8.360 nan 0.000 0.450 442 A N 0.655 123.545 122.820 0.118 0.000 1.968 442 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 442 A C 2.385 179.996 177.584 0.045 0.000 1.169 442 A CA 1.432 53.526 52.037 0.096 0.000 0.638 442 A CB -0.918 18.184 19.000 0.169 0.000 0.812 442 A HN 0.464 nan 8.150 nan 0.000 0.446 443 G N -0.212 108.619 108.800 0.051 0.000 2.433 443 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 443 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 443 G C 1.438 176.330 174.900 -0.013 0.000 1.186 443 G CA 0.980 46.096 45.100 0.027 0.000 0.779 443 G HN 0.626 nan 8.290 nan 0.000 0.543 444 E N -0.207 119.985 120.200 -0.014 0.000 2.072 444 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 444 E C 2.544 179.086 176.600 -0.097 0.000 0.985 444 E CA 0.455 56.832 56.400 -0.039 0.000 0.801 444 E CB -0.145 29.547 29.700 -0.014 0.000 0.750 444 E HN 0.293 nan 8.360 nan 0.000 0.452 445 R N 0.926 121.344 120.500 -0.137 0.000 2.081 445 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 445 R C 2.121 178.256 176.300 -0.274 0.000 1.131 445 R CA 1.465 57.385 56.100 -0.300 0.000 0.960 445 R CB -0.199 29.795 30.300 -0.511 0.000 0.856 445 R HN 0.141 nan 8.270 nan 0.000 0.436 446 A N 0.529 123.252 122.820 -0.161 0.000 2.014 446 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 446 A C 2.307 179.784 177.584 -0.179 0.000 1.163 446 A CA 1.239 53.210 52.037 -0.110 0.000 0.652 446 A CB -0.436 18.567 19.000 0.004 0.000 0.808 446 A HN 0.517 nan 8.150 nan 0.000 0.449 447 A N 0.200 122.933 122.820 -0.145 0.000 1.902 447 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 447 A C 2.241 179.709 177.584 -0.193 0.000 1.181 447 A CA 1.555 53.501 52.037 -0.152 0.000 0.623 447 A CB -0.450 18.498 19.000 -0.088 0.000 0.818 447 A HN 0.531 nan 8.150 nan 0.000 0.443 448 R N -0.478 119.912 120.500 -0.183 0.000 2.115 448 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 448 R C 2.081 178.257 176.300 -0.207 0.000 1.111 448 R CA 1.330 57.326 56.100 -0.174 0.000 0.976 448 R CB -0.251 29.954 30.300 -0.157 0.000 0.870 448 R HN 0.687 nan 8.270 nan 0.000 0.445 449 E N 0.650 120.684 120.200 -0.278 0.000 2.051 449 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 449 E C 1.996 178.285 176.600 -0.517 0.000 0.991 449 E CA 1.159 57.379 56.400 -0.300 0.000 0.799 449 E CB -0.104 29.442 29.700 -0.257 0.000 0.748 449 E HN 0.331 nan 8.360 nan 0.000 0.449 450 I N 1.072 121.173 120.570 -0.782 0.000 2.286 450 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 450 I C 2.379 178.160 176.117 -0.560 0.000 1.115 450 I CA 0.905 61.645 61.300 -0.934 0.000 1.392 450 I CB -0.227 37.278 38.000 -0.826 0.000 1.065 450 I HN 0.121 nan 8.210 nan 0.000 0.418 451 L N -0.062 120.968 121.223 -0.322 0.000 2.046 451 L HA -0.277 4.063 4.340 -0.000 0.000 0.208 451 L C 2.755 179.548 176.870 -0.127 0.000 1.077 451 L CA 1.606 56.337 54.840 -0.181 0.000 0.747 451 L CB -0.851 41.141 42.059 -0.112 0.000 0.896 451 L HN 0.331 nan 8.230 nan 0.000 0.432 452 H N 0.142 119.097 119.070 -0.192 0.000 2.352 452 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 452 H C 2.091 177.350 175.328 -0.115 0.000 1.097 452 H CA 1.505 57.478 56.048 -0.126 0.000 1.311 452 H CB 0.048 29.749 29.762 -0.102 0.000 1.377 452 H HN 0.292 nan 8.280 nan 0.000 0.504 453 A N 0.320 122.968 122.820 -0.287 0.000 2.024 453 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 453 A C 2.201 179.692 177.584 -0.155 0.000 1.164 453 A CA 1.797 53.679 52.037 -0.258 0.000 0.643 453 A CB -0.537 18.245 19.000 -0.364 0.000 0.806 453 A HN 0.580 nan 8.150 nan 0.000 0.451 454 M N -1.681 117.822 119.600 -0.162 0.000 2.495 454 M HA 0.232 4.712 4.480 -0.000 0.000 0.237 454 M C 1.304 177.563 176.300 -0.068 0.000 1.131 454 M CA 0.694 55.967 55.300 -0.046 0.000 1.032 454 M CB 0.331 32.920 32.600 -0.017 0.000 1.513 454 M HN 0.567 nan 8.290 nan 0.000 0.488 455 G N 1.290 110.010 108.800 -0.133 0.000 2.143 455 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.249 455 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.249 455 G C 0.899 175.771 174.900 -0.048 0.000 0.981 455 G CA 0.322 45.360 45.100 -0.102 0.000 0.665 455 G HN 0.458 nan 8.290 nan 0.000 0.528 456 K N -0.304 120.070 120.400 -0.044 0.000 2.228 456 K HA 0.241 4.561 4.320 -0.000 0.000 0.202 456 K C 1.393 177.992 176.600 -0.001 0.000 1.051 456 K CA 1.390 57.664 56.287 -0.022 0.000 0.960 456 K CB 0.276 32.758 32.500 -0.032 0.000 0.743 456 K HN 0.857 nan 8.250 nan 0.000 0.458 457 I N -1.876 118.709 120.570 0.025 0.000 2.994 457 I HA 0.433 4.603 4.170 -0.000 0.000 0.306 457 I C -3.025 173.184 176.117 0.153 0.000 1.195 457 I CA -2.902 58.434 61.300 0.059 0.000 1.001 457 I CB 2.453 40.474 38.000 0.035 0.000 1.244 457 I HN -0.270 nan 8.210 nan 0.000 0.437 458 P HA 0.120 nan 4.420 nan 0.000 0.276 458 P C 0.312 177.653 177.300 0.069 0.000 1.261 458 P CA -0.080 63.115 63.100 0.159 0.000 0.800 458 P CB 1.031 32.778 31.700 0.079 0.000 1.066 459 E N 0.354 120.505 120.200 -0.081 0.000 2.070 459 E HA -0.319 4.031 4.350 -0.000 0.000 0.197 459 E C 1.094 177.611 176.600 -0.138 0.000 1.004 459 E CA 1.712 57.874 56.400 -0.397 0.000 0.805 459 E CB -0.375 29.199 29.700 -0.210 0.000 0.744 459 E HN 0.310 nan 8.360 nan 0.000 0.451 460 D N 0.494 120.875 120.400 -0.031 0.000 2.263 460 D HA -0.207 4.433 4.640 -0.000 0.000 0.193 460 D C 1.070 177.388 176.300 0.030 0.000 1.013 460 D CA 1.446 55.455 54.000 0.015 0.000 0.892 460 D CB -0.045 40.769 40.800 0.023 0.000 0.909 460 D HN 0.395 nan 8.370 nan 0.000 0.449 461 E N -1.326 118.876 120.200 0.004 0.000 2.501 461 E HA 0.157 4.507 4.350 -0.000 0.000 0.201 461 E C 1.844 178.435 176.600 -0.015 0.000 1.016 461 E CA -0.301 56.106 56.400 0.012 0.000 0.920 461 E CB 0.539 30.245 29.700 0.010 0.000 1.023 461 E HN 0.324 nan 8.360 nan 0.000 0.474 462 I N -0.125 120.415 120.570 -0.050 0.000 2.202 462 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 462 I C 0.514 176.507 176.117 -0.208 0.000 1.091 462 I CA 1.100 62.302 61.300 -0.163 0.000 1.368 462 I CB 0.107 37.969 38.000 -0.230 0.000 1.058 462 I HN 0.103 nan 8.210 nan 0.000 0.410 463 W N 1.595 122.892 121.300 -0.005 0.000 2.349 463 W HA 0.492 5.152 4.660 0.000 0.000 0.309 463 W C 0.098 176.625 176.519 0.014 0.000 1.083 463 W CA -0.277 57.078 57.345 0.017 0.000 1.224 463 W CB 0.714 30.186 29.460 0.020 0.000 1.256 463 W HN -0.049 nan 8.180 nan 0.000 0.461 464 Q N 2.772 122.703 119.800 0.219 0.000 2.321 464 Q HA 0.424 4.764 4.340 -0.000 0.000 0.270 464 Q C -0.030 176.050 176.000 0.133 0.000 1.032 464 Q CA -0.558 55.326 55.803 0.135 0.000 0.784 464 Q CB 1.652 30.433 28.738 0.072 0.000 1.264 464 Q HN 0.493 nan 8.270 nan 0.000 0.448 465 S N 2.481 118.243 115.700 0.103 0.000 2.603 465 S HA 0.372 4.842 4.470 -0.000 0.000 0.268 465 S C -0.249 174.397 174.600 0.076 0.000 1.317 465 S CA -0.598 57.654 58.200 0.087 0.000 1.012 465 S CB 1.436 64.670 63.200 0.058 0.000 0.926 465 S HN 0.676 nan 8.310 nan 0.000 0.539 466 E N 1.385 121.632 120.200 0.079 0.000 2.176 466 E HA 0.598 4.948 4.350 -0.000 0.000 0.267 466 E C -2.667 173.965 176.600 0.055 0.000 0.893 466 E CA -2.110 54.332 56.400 0.069 0.000 0.761 466 E CB 0.935 30.687 29.700 0.086 0.000 1.133 466 E HN 0.582 nan 8.360 nan 0.000 0.409 467 P HA 0.119 nan 4.420 nan 0.000 0.271 467 P C -0.848 176.473 177.300 0.034 0.000 1.218 467 P CA -0.325 62.795 63.100 0.034 0.000 0.780 467 P CB 0.555 32.271 31.700 0.027 0.000 0.901 468 E N 1.245 121.463 120.200 0.030 0.000 2.376 468 E HA 0.108 4.458 4.350 -0.000 0.000 0.266 468 E C -0.130 176.482 176.600 0.021 0.000 1.009 468 E CA -0.317 56.099 56.400 0.028 0.000 0.902 468 E CB 0.385 30.100 29.700 0.025 0.000 0.972 468 E HN 0.375 nan 8.360 nan 0.000 0.439 469 S N 3.156 118.866 115.700 0.017 0.000 2.575 469 S HA -0.067 4.403 4.470 -0.000 0.000 0.295 469 S C 1.154 175.759 174.600 0.009 0.000 1.267 469 S CA -0.016 58.191 58.200 0.012 0.000 1.074 469 S CB 0.718 63.919 63.200 0.002 0.000 0.829 469 S HN 0.563 nan 8.310 nan 0.000 0.497 470 V N 2.277 122.197 119.914 0.011 0.000 3.041 470 V HA 0.058 4.178 4.120 -0.000 0.000 0.260 470 V C 1.369 177.467 176.094 0.007 0.000 1.105 470 V CA 1.548 63.854 62.300 0.010 0.000 1.125 470 V CB -0.479 31.351 31.823 0.011 0.000 0.730 470 V HN 0.843 nan 8.190 nan 0.000 0.479 471 D N 0.885 121.290 120.400 0.008 0.000 2.271 471 D HA 0.099 4.739 4.640 -0.000 0.000 0.206 471 D C 0.781 177.077 176.300 -0.005 0.000 0.967 471 D CA 1.128 55.132 54.000 0.006 0.000 0.867 471 D CB 0.887 41.695 40.800 0.014 0.000 0.960 471 D HN 0.543 nan 8.370 nan 0.000 0.509 472 V N 3.048 122.954 119.914 -0.012 0.000 2.502 472 V HA 0.176 4.296 4.120 -0.000 0.000 0.261 472 V C -2.470 173.611 176.094 -0.021 0.000 0.996 472 V CA -1.176 61.107 62.300 -0.029 0.000 1.095 472 V CB 1.283 33.072 31.823 -0.056 0.000 1.325 472 V HN -0.053 nan 8.190 nan 0.000 0.574 473 P HA 0.381 nan 4.420 nan 0.000 0.274 473 P C -0.254 177.045 177.300 -0.002 0.000 1.231 473 P CA 0.134 63.233 63.100 -0.002 0.000 0.790 473 P CB 1.529 33.230 31.700 0.001 0.000 0.951 474 A N 2.984 125.809 122.820 0.008 0.000 2.301 474 A HA 0.304 4.624 4.320 -0.000 0.000 0.298 474 A C 0.307 177.897 177.584 0.010 0.000 1.185 474 A CA -0.485 51.560 52.037 0.014 0.000 0.830 474 A CB 0.137 19.158 19.000 0.034 0.000 1.112 474 A HN 0.481 nan 8.150 nan 0.000 0.508 475 Q N 2.252 122.056 119.800 0.006 0.000 2.230 475 Q HA 0.363 4.702 4.340 -0.000 0.000 0.248 475 Q C -2.306 173.698 176.000 0.007 0.000 0.915 475 Q CA -1.726 54.080 55.803 0.004 0.000 0.900 475 Q CB 1.114 29.851 28.738 -0.001 0.000 1.229 475 Q HN 0.571 nan 8.270 nan 0.000 0.439 476 P HA 0.143 nan 4.420 nan 0.000 0.271 476 P C -0.401 176.902 177.300 0.004 0.000 1.218 476 P CA -0.258 62.843 63.100 0.002 0.000 0.780 476 P CB 0.686 32.387 31.700 0.000 0.000 0.901 477 I N 2.880 123.449 120.570 -0.002 0.000 2.363 477 I HA 0.119 4.289 4.170 -0.000 0.000 0.292 477 I C 1.138 177.255 176.117 -0.000 0.000 1.075 477 I CA 0.232 61.532 61.300 0.001 0.000 1.333 477 I CB -0.203 37.788 38.000 -0.016 0.000 1.415 477 I HN 0.385 nan 8.210 nan 0.000 0.502 478 T N 2.194 116.759 114.554 0.017 0.000 2.859 478 T HA 0.714 5.064 4.350 -0.000 0.000 0.281 478 T C 0.154 174.869 174.700 0.024 0.000 1.005 478 T CA -0.732 61.380 62.100 0.020 0.000 1.025 478 T CB 1.860 70.746 68.868 0.030 0.000 0.977 478 T HN 0.617 nan 8.240 nan 0.000 0.458 479 T N -0.562 113.999 114.554 0.012 0.000 2.918 479 T HA 0.691 5.041 4.350 -0.000 0.000 0.286 479 T C 0.514 175.240 174.700 0.044 0.000 1.026 479 T CA -0.747 61.357 62.100 0.008 0.000 1.031 479 T CB 1.259 70.102 68.868 -0.042 0.000 1.046 479 T HN 0.954 nan 8.240 nan 0.000 0.479 480 T N -0.265 114.326 114.554 0.062 0.000 2.847 480 T HA 0.370 4.720 4.350 -0.000 0.000 0.279 480 T C 0.802 175.589 174.700 0.145 0.000 0.984 480 T CA -0.847 61.321 62.100 0.114 0.000 0.988 480 T CB 0.525 69.467 68.868 0.124 0.000 1.040 480 T HN 0.541 nan 8.240 nan 0.000 0.528 481 F N 0.571 120.565 119.950 0.073 0.000 2.134 481 F HA 0.056 4.583 4.527 -0.000 0.000 0.299 481 F C 1.926 177.825 175.800 0.165 0.000 1.097 481 F CA 1.251 59.334 58.000 0.139 0.000 1.264 481 F CB -0.428 38.642 39.000 0.116 0.000 1.001 481 F HN 0.483 nan 8.300 nan 0.000 0.479 482 L N 0.143 121.494 121.223 0.213 0.000 1.994 482 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 482 L C 2.396 179.279 176.870 0.021 0.000 1.071 482 L CA 1.861 56.770 54.840 0.115 0.000 0.745 482 L CB -0.954 41.199 42.059 0.156 0.000 0.892 482 L HN 0.144 nan 8.230 nan 0.000 0.431 483 E N 0.026 120.247 120.200 0.035 0.000 2.108 483 E HA -0.293 4.057 4.350 -0.000 0.000 0.203 483 E C 2.291 178.811 176.600 -0.132 0.000 1.022 483 E CA 1.599 57.986 56.400 -0.023 0.000 0.823 483 E CB -0.165 29.517 29.700 -0.029 0.000 0.744 483 E HN 0.440 nan 8.360 nan 0.000 0.456 484 R N -0.545 119.816 120.500 -0.232 0.000 2.115 484 R HA -0.039 4.301 4.340 -0.000 0.000 0.226 484 R C 1.761 177.678 176.300 -0.637 0.000 1.100 484 R CA 1.007 56.835 56.100 -0.453 0.000 0.980 484 R CB -0.009 29.948 30.300 -0.572 0.000 0.875 484 R HN 0.371 nan 8.270 nan 0.000 0.445 485 H N -0.651 118.228 119.070 -0.319 0.000 3.046 485 H HA 0.223 4.779 4.556 -0.000 0.000 0.262 485 H C 0.508 175.736 175.328 -0.168 0.000 1.044 485 H CA -0.257 55.600 56.048 -0.318 0.000 1.209 485 H CB 0.569 29.976 29.762 -0.591 0.000 1.507 485 H HN -0.006 nan 8.280 nan 0.000 0.507 486 L N 4.551 125.761 121.223 -0.022 0.000 2.525 486 L HA 0.012 4.352 4.340 -0.000 0.000 0.278 486 L C -1.550 175.311 176.870 -0.014 0.000 1.218 486 L CA -1.165 53.684 54.840 0.015 0.000 0.878 486 L CB 0.225 42.324 42.059 0.065 0.000 1.127 486 L HN 0.039 nan 8.230 nan 0.000 0.492 487 P HA 0.143 nan 4.420 nan 0.000 0.279 487 P C -0.808 176.458 177.300 -0.057 0.000 1.282 487 P CA -0.587 62.489 63.100 -0.041 0.000 0.788 487 P CB 0.882 32.556 31.700 -0.044 0.000 1.139 488 S N -1.254 114.389 115.700 -0.095 0.000 2.693 488 S HA 0.221 4.691 4.470 -0.000 0.000 0.276 488 S C 1.488 175.960 174.600 -0.213 0.000 1.192 488 S CA -0.701 57.418 58.200 -0.135 0.000 0.994 488 S CB 0.110 63.220 63.200 -0.151 0.000 1.012 488 S HN 0.197 nan 8.310 nan 0.000 0.550 489 V N 2.315 122.049 119.914 -0.301 0.000 2.220 489 V HA -0.132 3.988 4.120 -0.000 0.000 0.250 489 V C -0.365 175.336 176.094 -0.655 0.000 1.056 489 V CA 2.262 64.290 62.300 -0.452 0.000 1.016 489 V CB -2.014 29.519 31.823 -0.483 0.000 0.639 489 V HN 0.830 nan 8.190 nan 0.000 0.446 490 P HA -0.126 nan 4.420 nan 0.000 0.218 490 P C 1.678 178.781 177.300 -0.328 0.000 1.148 490 P CA 2.112 64.766 63.100 -0.743 0.000 0.822 490 P CB -0.304 31.036 31.700 -0.600 0.000 0.784 491 G N 0.296 108.946 108.800 -0.251 0.000 2.403 491 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 491 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 491 G C 1.492 176.322 174.900 -0.118 0.000 1.154 491 G CA 0.389 45.405 45.100 -0.139 0.000 0.784 491 G HN 0.241 nan 8.290 nan 0.000 0.538 492 L N 0.408 121.546 121.223 -0.141 0.000 2.072 492 L HA 0.212 4.552 4.340 -0.000 0.000 0.205 492 L C 2.621 179.432 176.870 -0.099 0.000 1.079 492 L CA 1.212 55.991 54.840 -0.101 0.000 0.752 492 L CB -0.467 41.536 42.059 -0.093 0.000 0.906 492 L HN 0.174 nan 8.230 nan 0.000 0.436 493 L N -0.685 120.450 121.223 -0.147 0.000 2.012 493 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 493 L C 2.753 179.581 176.870 -0.069 0.000 1.073 493 L CA 1.511 56.285 54.840 -0.111 0.000 0.748 493 L CB -0.426 41.538 42.059 -0.158 0.000 0.891 493 L HN 0.219 nan 8.230 nan 0.000 0.431 494 R N -0.666 119.788 120.500 -0.077 0.000 2.148 494 R HA -0.145 4.195 4.340 -0.000 0.000 0.227 494 R C 2.118 178.400 176.300 -0.031 0.000 1.103 494 R CA 0.940 57.015 56.100 -0.042 0.000 0.983 494 R CB -0.212 30.064 30.300 -0.040 0.000 0.874 494 R HN 0.187 nan 8.270 nan 0.000 0.451 495 L N 0.354 121.554 121.223 -0.039 0.000 2.179 495 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 495 L C 0.815 177.673 176.870 -0.019 0.000 1.096 495 L CA 0.998 55.823 54.840 -0.026 0.000 0.779 495 L CB 0.112 42.155 42.059 -0.027 0.000 0.922 495 L HN 0.030 nan 8.230 nan 0.000 0.443 496 I N 0.000 120.556 120.570 -0.024 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.291 61.300 -0.015 0.000 1.566 496 I CB 0.000 37.991 38.000 -0.016 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494