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 1s3b_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 0.000 175.507 175.510 -0.004 0.000 1.280 3 N CA 0.000 52.945 53.050 -0.175 0.000 0.885 3 N CB 0.000 38.415 38.487 -0.119 0.000 1.341 4 K N 1.118 121.532 120.400 0.023 0.000 2.185 4 K HA 0.608 4.928 4.320 -0.000 0.000 0.269 4 K C -0.252 176.388 176.600 0.066 0.000 0.987 4 K CA -0.495 55.817 56.287 0.042 0.000 0.865 4 K CB 2.023 34.533 32.500 0.016 0.000 1.090 4 K HN 0.613 nan 8.250 nan 0.000 0.450 5 C N -1.075 118.268 119.300 0.072 0.000 3.316 5 C HA 0.416 4.876 4.460 -0.000 0.000 0.360 5 C C 0.796 175.820 174.990 0.057 0.000 1.560 5 C CA -0.776 58.284 59.018 0.069 0.000 1.229 5 C CB 0.952 28.745 27.740 0.089 0.000 1.823 5 C HN 0.787 nan 8.230 nan 0.000 0.440 6 D N 0.261 120.698 120.400 0.061 0.000 2.144 6 D HA 0.127 4.767 4.640 -0.000 0.000 0.207 6 D C 0.308 176.670 176.300 0.102 0.000 0.970 6 D CA 1.692 55.736 54.000 0.074 0.000 0.853 6 D CB 0.233 41.076 40.800 0.073 0.000 1.007 6 D HN 0.474 nan 8.370 nan 0.000 0.469 7 V N 1.471 121.438 119.914 0.087 0.000 2.638 7 V HA 0.263 4.383 4.120 -0.000 0.000 0.306 7 V C -0.131 175.994 176.094 0.052 0.000 1.052 7 V CA -0.834 61.520 62.300 0.090 0.000 0.885 7 V CB 2.778 34.644 31.823 0.072 0.000 0.999 7 V HN -0.234 nan 8.190 nan 0.000 0.424 8 V N 5.256 125.196 119.914 0.043 0.000 2.407 8 V HA 0.395 4.515 4.120 -0.000 0.000 0.278 8 V C -0.056 176.032 176.094 -0.009 0.000 1.037 8 V CA -0.395 61.902 62.300 -0.005 0.000 0.900 8 V CB 1.837 33.651 31.823 -0.015 0.000 0.983 8 V HN 0.637 nan 8.190 nan 0.000 0.459 9 V N 6.302 126.196 119.914 -0.033 0.000 2.370 9 V HA 0.335 4.455 4.120 -0.000 0.000 0.279 9 V C -0.004 176.066 176.094 -0.040 0.000 1.029 9 V CA -0.553 61.733 62.300 -0.023 0.000 0.870 9 V CB 1.765 33.578 31.823 -0.017 0.000 0.984 9 V HN 0.598 nan 8.190 nan 0.000 0.451 10 V N 4.595 124.499 119.914 -0.016 0.000 2.348 10 V HA 0.820 4.939 4.120 -0.000 0.000 0.270 10 V C 0.656 176.756 176.094 0.011 0.000 1.037 10 V CA 0.400 62.691 62.300 -0.015 0.000 0.872 10 V CB 0.523 32.354 31.823 0.012 0.000 1.002 10 V HN 1.266 nan 8.190 nan 0.000 0.464 11 G N 3.650 112.444 108.800 -0.010 0.000 3.233 11 G HA2 0.191 4.151 3.960 -0.000 0.000 0.686 11 G HA3 0.191 4.151 3.960 -0.000 0.000 0.686 11 G C 0.079 174.983 174.900 0.008 0.000 1.153 11 G CA -0.488 44.619 45.100 0.012 0.000 0.853 11 G HN 1.233 nan 8.290 nan 0.000 0.582 12 G N 0.805 109.608 108.800 0.005 0.000 4.098 12 G HA2 0.683 4.643 3.960 -0.000 0.000 0.300 12 G HA3 0.683 4.643 3.960 -0.000 0.000 0.300 12 G C 0.891 175.810 174.900 0.031 0.000 1.187 12 G CA 0.936 46.039 45.100 0.006 0.000 0.964 12 G HN 1.306 nan 8.290 nan 0.000 0.559 13 G N -0.068 108.763 108.800 0.051 0.000 2.553 13 G HA2 0.335 4.295 3.960 -0.000 0.000 0.278 13 G HA3 0.335 4.295 3.960 -0.000 0.000 0.278 13 G C 1.192 176.123 174.900 0.051 0.000 1.349 13 G CA -0.731 44.409 45.100 0.066 0.000 1.037 13 G HN 0.138 nan 8.290 nan 0.000 0.508 14 I N -0.581 120.021 120.570 0.054 0.000 2.264 14 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 14 I C 3.022 179.166 176.117 0.045 0.000 1.111 14 I CA 1.601 62.925 61.300 0.041 0.000 1.382 14 I CB -0.101 37.927 38.000 0.046 0.000 1.060 14 I HN 0.466 nan 8.210 nan 0.000 0.418 15 S N 0.481 116.220 115.700 0.065 0.000 2.356 15 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 15 S C 2.114 176.743 174.600 0.049 0.000 1.032 15 S CA 1.614 59.855 58.200 0.069 0.000 1.005 15 S CB -0.597 62.663 63.200 0.100 0.000 0.867 15 S HN 0.576 nan 8.310 nan 0.000 0.449 16 G N 1.455 110.283 108.800 0.046 0.000 2.418 16 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 16 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 16 G C 1.444 176.349 174.900 0.010 0.000 1.158 16 G CA 0.942 46.059 45.100 0.028 0.000 0.771 16 G HN 0.389 nan 8.290 nan 0.000 0.545 17 M N 1.216 120.821 119.600 0.007 0.000 2.132 17 M HA 0.092 4.572 4.480 -0.000 0.000 0.263 17 M C 3.004 179.300 176.300 -0.008 0.000 1.065 17 M CA 1.189 56.484 55.300 -0.009 0.000 1.122 17 M CB -1.335 31.258 32.600 -0.013 0.000 1.365 17 M HN 0.311 nan 8.290 nan 0.000 0.411 18 A N 0.233 123.054 122.820 0.002 0.000 1.902 18 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 18 A C 2.451 180.035 177.584 0.001 0.000 1.181 18 A CA 2.132 54.171 52.037 0.002 0.000 0.623 18 A CB -0.901 18.106 19.000 0.013 0.000 0.818 18 A HN 0.470 nan 8.150 nan 0.000 0.443 19 A N -0.129 122.691 122.820 0.001 0.000 1.877 19 A HA 0.170 4.490 4.320 -0.000 0.000 0.216 19 A C 2.521 180.102 177.584 -0.005 0.000 1.186 19 A CA 2.111 54.143 52.037 -0.009 0.000 0.620 19 A CB -1.054 17.942 19.000 -0.007 0.000 0.822 19 A HN 1.058 nan 8.150 nan 0.000 0.443 20 A N -0.327 122.492 122.820 -0.001 0.000 1.902 20 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 20 A C 2.140 179.741 177.584 0.029 0.000 1.181 20 A CA 1.991 54.031 52.037 0.006 0.000 0.623 20 A CB -0.460 18.532 19.000 -0.015 0.000 0.818 20 A HN 0.557 nan 8.150 nan 0.000 0.443 21 K N -0.467 119.941 120.400 0.013 0.000 2.026 21 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 21 K C 1.995 178.635 176.600 0.067 0.000 1.048 21 K CA 1.550 57.859 56.287 0.036 0.000 0.929 21 K CB -0.318 32.185 32.500 0.006 0.000 0.713 21 K HN 0.452 nan 8.250 nan 0.000 0.439 22 L N 1.143 122.383 121.223 0.028 0.000 2.042 22 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 22 L C 2.169 179.046 176.870 0.012 0.000 1.076 22 L CA 1.224 56.072 54.840 0.012 0.000 0.749 22 L CB -0.128 41.923 42.059 -0.013 0.000 0.893 22 L HN 0.248 nan 8.230 nan 0.000 0.432 23 L N -1.277 119.955 121.223 0.016 0.000 2.056 23 L HA -0.245 4.095 4.340 -0.000 0.000 0.207 23 L C 2.579 179.471 176.870 0.037 0.000 1.078 23 L CA 1.374 56.219 54.840 0.009 0.000 0.749 23 L CB -0.798 41.262 42.059 0.003 0.000 0.901 23 L HN 0.397 nan 8.230 nan 0.000 0.433 24 H N 0.338 119.397 119.070 -0.018 0.000 2.319 24 H HA -0.198 4.358 4.556 -0.000 0.000 0.299 24 H C 1.767 177.088 175.328 -0.012 0.000 1.092 24 H CA 2.026 58.067 56.048 -0.012 0.000 1.302 24 H CB 0.048 29.803 29.762 -0.011 0.000 1.373 24 H HN 0.210 nan 8.280 nan 0.000 0.497 25 D N -0.652 119.753 120.400 0.009 0.000 2.264 25 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 25 D C 1.775 178.031 176.300 -0.074 0.000 0.966 25 D CA 1.082 55.056 54.000 -0.043 0.000 0.864 25 D CB -0.133 40.681 40.800 0.023 0.000 0.933 25 D HN 0.332 nan 8.370 nan 0.000 0.499 26 S N -1.135 114.529 115.700 -0.059 0.000 2.558 26 S HA 0.261 4.731 4.470 -0.000 0.000 0.217 26 S C 1.577 176.136 174.600 -0.069 0.000 0.975 26 S CA 0.568 58.736 58.200 -0.054 0.000 0.912 26 S CB 0.769 63.944 63.200 -0.041 0.000 0.776 26 S HN 0.437 nan 8.310 nan 0.000 0.526 27 G N 0.962 109.697 108.800 -0.108 0.000 2.163 27 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.213 27 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.213 27 G C -0.055 174.801 174.900 -0.073 0.000 0.991 27 G CA -0.411 44.624 45.100 -0.108 0.000 0.653 27 G HN 0.408 nan 8.290 nan 0.000 0.518 28 L N 0.725 121.918 121.223 -0.050 0.000 2.399 28 L HA 0.428 4.768 4.340 -0.000 0.000 0.266 28 L C 0.122 177.002 176.870 0.017 0.000 1.114 28 L CA -1.060 53.775 54.840 -0.008 0.000 0.804 28 L CB 0.681 42.744 42.059 0.006 0.000 1.146 28 L HN -0.002 nan 8.230 nan 0.000 0.451 29 N N 2.093 120.815 118.700 0.036 0.000 2.401 29 N HA 0.268 5.008 4.740 -0.000 0.000 0.255 29 N C -0.662 174.891 175.510 0.071 0.000 1.110 29 N CA -0.081 53.005 53.050 0.062 0.000 0.949 29 N CB 1.505 40.024 38.487 0.053 0.000 1.110 29 N HN 0.361 nan 8.380 nan 0.000 0.490 30 V N 0.209 120.175 119.914 0.087 0.000 2.715 30 V HA 0.742 4.862 4.120 -0.000 0.000 0.310 30 V C -0.131 175.985 176.094 0.038 0.000 1.054 30 V CA -0.741 61.595 62.300 0.060 0.000 0.928 30 V CB 1.983 33.840 31.823 0.057 0.000 1.007 30 V HN 0.155 nan 8.190 nan 0.000 0.437 31 V N 3.693 123.610 119.914 0.005 0.000 2.656 31 V HA 0.555 4.675 4.120 -0.000 0.000 0.307 31 V C -0.360 175.678 176.094 -0.093 0.000 1.051 31 V CA -0.538 61.735 62.300 -0.044 0.000 0.893 31 V CB 2.079 33.865 31.823 -0.062 0.000 0.999 31 V HN 0.840 nan 8.190 nan 0.000 0.426 32 V N 6.046 125.898 119.914 -0.104 0.000 2.370 32 V HA 0.464 4.584 4.120 -0.000 0.000 0.283 32 V C -0.249 175.752 176.094 -0.156 0.000 1.023 32 V CA -0.446 61.791 62.300 -0.105 0.000 0.857 32 V CB 1.508 33.291 31.823 -0.068 0.000 0.985 32 V HN 0.617 nan 8.190 nan 0.000 0.443 33 L N 4.567 125.683 121.223 -0.179 0.000 2.262 33 L HA 0.609 4.949 4.340 -0.000 0.000 0.288 33 L C -0.185 176.607 176.870 -0.130 0.000 1.035 33 L CA -0.360 54.357 54.840 -0.204 0.000 0.820 33 L CB 1.427 43.326 42.059 -0.267 0.000 1.204 33 L HN 0.619 nan 8.230 nan 0.000 0.424 34 E N 2.355 122.485 120.200 -0.117 0.000 2.176 34 E HA 0.491 4.841 4.350 -0.000 0.000 0.267 34 E C 0.322 176.826 176.600 -0.159 0.000 0.893 34 E CA -0.329 56.006 56.400 -0.109 0.000 0.761 34 E CB 2.068 31.726 29.700 -0.070 0.000 1.133 34 E HN 0.551 nan 8.360 nan 0.000 0.409 35 A N 5.385 128.047 122.820 -0.263 0.000 1.933 35 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 35 A C 1.065 178.430 177.584 -0.365 0.000 1.175 35 A CA 0.992 52.739 52.037 -0.484 0.000 0.628 35 A CB -0.187 18.126 19.000 -1.145 0.000 0.814 35 A HN 0.603 nan 8.150 nan 0.000 0.444 36 R N -0.075 120.291 120.500 -0.223 0.000 2.580 36 R HA 0.243 4.583 4.340 -0.000 0.000 0.267 36 R C 0.163 176.431 176.300 -0.052 0.000 1.125 36 R CA 0.134 56.180 56.100 -0.090 0.000 1.188 36 R CB 0.168 30.454 30.300 -0.022 0.000 1.155 36 R HN 0.447 nan 8.270 nan 0.000 0.586 37 D N 0.437 120.824 120.400 -0.022 0.000 2.324 37 D HA -0.040 4.600 4.640 -0.000 0.000 0.235 37 D C -0.110 176.195 176.300 0.008 0.000 1.095 37 D CA 0.119 54.114 54.000 -0.007 0.000 0.871 37 D CB -0.058 40.742 40.800 -0.000 0.000 0.906 37 D HN 0.436 nan 8.370 nan 0.000 0.522 38 R N -1.253 119.255 120.500 0.012 0.000 2.710 38 R HA 0.571 4.911 4.340 -0.000 0.000 0.270 38 R C -0.680 175.645 176.300 0.042 0.000 1.021 38 R CA -1.099 55.026 56.100 0.043 0.000 0.889 38 R CB 1.194 31.543 30.300 0.083 0.000 1.243 38 R HN -0.102 nan 8.270 nan 0.000 0.464 39 V N -1.430 118.516 119.914 0.054 0.000 3.262 39 V HA 0.860 4.980 4.120 -0.000 0.000 0.313 39 V C 0.949 177.103 176.094 0.099 0.000 1.070 39 V CA 0.426 62.758 62.300 0.053 0.000 1.049 39 V CB 0.784 32.623 31.823 0.026 0.000 1.157 39 V HN 1.199 nan 8.190 nan 0.000 0.454 40 G N -0.940 107.917 108.800 0.095 0.000 2.339 40 G HA2 0.129 4.089 3.960 -0.000 0.000 0.209 40 G HA3 0.129 4.089 3.960 -0.000 0.000 0.209 40 G C 1.610 176.604 174.900 0.157 0.000 1.015 40 G CA 0.763 45.941 45.100 0.129 0.000 0.635 40 G HN 2.582 nan 8.290 nan 0.000 0.499 41 G N 0.646 109.550 108.800 0.174 0.000 2.646 41 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.324 41 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.324 41 G C 0.995 176.065 174.900 0.283 0.000 1.195 41 G CA 1.582 46.805 45.100 0.204 0.000 0.976 41 G HN 1.184 nan 8.290 nan 0.000 0.546 42 R N 1.828 122.400 120.500 0.119 0.000 2.323 42 R HA 0.217 4.557 4.340 -0.000 0.000 0.198 42 R C 1.047 177.250 176.300 -0.162 0.000 0.988 42 R CA 1.020 57.011 56.100 -0.182 0.000 1.041 42 R CB -0.134 30.024 30.300 -0.236 0.000 0.926 42 R HN 0.701 nan 8.270 nan 0.000 0.476 43 T N -2.344 112.270 114.554 0.101 0.000 2.867 43 T HA 0.362 4.712 4.350 -0.000 0.000 0.282 43 T C -0.931 174.007 174.700 0.396 0.000 1.000 43 T CA -0.624 61.587 62.100 0.184 0.000 1.042 43 T CB 1.571 70.511 68.868 0.120 0.000 0.973 43 T HN 0.102 nan 8.240 nan 0.000 0.465 44 Y N 1.152 121.614 120.300 0.269 0.000 2.313 44 Y HA 0.437 4.987 4.550 -0.000 0.000 0.320 44 Y C -1.205 174.814 175.900 0.199 0.000 1.171 44 Y CA -0.800 57.452 58.100 0.254 0.000 1.093 44 Y CB 1.630 40.297 38.460 0.345 0.000 1.224 44 Y HN 0.881 nan 8.280 nan 0.000 0.421 45 T N 7.785 122.154 114.554 -0.309 0.000 2.756 45 T HA 0.421 4.771 4.350 -0.000 0.000 0.290 45 T C -0.918 173.440 174.700 -0.569 0.000 0.985 45 T CA -0.406 61.515 62.100 -0.299 0.000 0.955 45 T CB 0.636 69.446 68.868 -0.096 0.000 0.930 45 T HN 0.580 nan 8.240 nan 0.000 0.451 46 L N 4.419 125.342 121.223 -0.500 0.000 2.326 46 L HA 0.658 4.998 4.340 -0.000 0.000 0.278 46 L C -0.319 176.481 176.870 -0.117 0.000 1.092 46 L CA -0.148 54.484 54.840 -0.348 0.000 0.810 46 L CB 0.538 42.488 42.059 -0.182 0.000 1.153 46 L HN 0.439 nan 8.230 nan 0.000 0.439 47 R N 3.517 123.972 120.500 -0.074 0.000 2.437 47 R HA 0.639 4.979 4.340 -0.000 0.000 0.310 47 R C -1.072 175.207 176.300 -0.035 0.000 0.955 47 R CA -0.578 55.502 56.100 -0.033 0.000 0.851 47 R CB 1.332 31.622 30.300 -0.016 0.000 1.161 47 R HN 0.899 nan 8.270 nan 0.000 0.446 48 N N -1.160 117.503 118.700 -0.063 0.000 3.020 48 N HA 0.075 4.815 4.740 -0.000 0.000 0.248 48 N C -0.071 175.379 175.510 -0.100 0.000 1.480 48 N CA -0.869 52.140 53.050 -0.068 0.000 0.874 48 N CB 0.694 39.145 38.487 -0.060 0.000 1.433 48 N HN 0.212 nan 8.380 nan 0.000 0.530 49 Q N -0.392 119.357 119.800 -0.085 0.000 2.124 49 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 49 Q C 0.610 176.563 176.000 -0.078 0.000 0.977 49 Q CA 1.318 57.084 55.803 -0.061 0.000 0.850 49 Q CB -0.019 28.691 28.738 -0.048 0.000 0.901 49 Q HN 0.515 nan 8.270 nan 0.000 0.429 50 K N -0.028 120.229 120.400 -0.238 0.000 2.217 50 K HA -0.058 4.262 4.320 -0.000 0.000 0.202 50 K C 1.985 178.390 176.600 -0.325 0.000 1.051 50 K CA 1.175 57.226 56.287 -0.394 0.000 0.952 50 K CB 0.147 32.050 32.500 -0.995 0.000 0.736 50 K HN 0.258 nan 8.250 nan 0.000 0.453 51 V N -2.930 116.760 119.914 -0.373 0.000 3.645 51 V HA 0.222 4.342 4.120 -0.000 0.000 0.275 51 V C 1.410 177.113 176.094 -0.652 0.000 1.356 51 V CA 0.557 62.592 62.300 -0.441 0.000 1.051 51 V CB 0.201 31.796 31.823 -0.380 0.000 0.828 51 V HN 0.241 nan 8.190 nan 0.000 0.441 52 K N 0.564 120.644 120.400 -0.533 0.000 11.134 52 K HA -0.306 4.014 4.320 -0.000 0.000 0.527 52 K C 0.141 176.633 176.600 -0.180 0.000 0.391 52 K CA 2.525 58.539 56.287 -0.455 0.000 1.928 52 K CB -1.456 30.543 32.500 -0.836 0.000 0.781 52 K HN 0.940 nan 8.250 nan 0.000 1.243 53 Y N -1.810 118.337 120.300 -0.256 0.000 2.562 53 Y HA 0.741 5.291 4.550 -0.000 0.000 0.345 53 Y C -1.181 174.678 175.900 -0.068 0.000 1.045 53 Y CA -0.787 57.230 58.100 -0.139 0.000 1.028 53 Y CB 2.108 40.505 38.460 -0.105 0.000 1.297 53 Y HN 0.010 nan 8.280 nan 0.000 0.463 54 V N 2.375 122.348 119.914 0.098 0.000 2.777 54 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 54 V C -1.587 174.572 176.094 0.108 0.000 1.112 54 V CA -0.633 61.728 62.300 0.103 0.000 0.917 54 V CB 1.940 33.847 31.823 0.140 0.000 1.018 54 V HN 0.931 nan 8.190 nan 0.000 0.426 55 D N 5.566 126.043 120.400 0.129 0.000 2.343 55 D HA 0.300 4.940 4.640 -0.000 0.000 0.255 55 D C 0.794 177.188 176.300 0.157 0.000 1.187 55 D CA 0.225 54.292 54.000 0.111 0.000 0.875 55 D CB 1.905 42.745 40.800 0.067 0.000 1.136 55 D HN 0.523 nan 8.370 nan 0.000 0.469 56 L N 1.491 122.865 121.223 0.252 0.000 2.616 56 L HA 0.227 4.567 4.340 -0.000 0.000 0.229 56 L C 1.483 178.758 176.870 0.674 0.000 1.110 56 L CA 0.020 55.108 54.840 0.414 0.000 0.884 56 L CB 0.421 42.747 42.059 0.445 0.000 1.115 56 L HN 0.338 nan 8.230 nan 0.000 0.481 57 G N -0.769 108.342 108.800 0.518 0.000 3.247 57 G HA2 0.426 4.385 3.960 -0.000 0.000 0.163 57 G HA3 0.426 4.385 3.960 -0.000 0.000 0.163 57 G C -0.164 174.771 174.900 0.058 0.000 1.206 57 G CA -0.059 45.174 45.100 0.221 0.000 0.918 57 G HN 0.070 nan 8.290 nan 0.000 0.625 58 G N -0.725 108.040 108.800 -0.058 0.000 2.321 58 G HA2 0.367 4.327 3.960 -0.000 0.000 0.237 58 G HA3 0.367 4.327 3.960 -0.000 0.000 0.237 58 G C 0.533 175.420 174.900 -0.022 0.000 1.282 58 G CA 0.950 46.019 45.100 -0.051 0.000 0.886 58 G HN 0.879 nan 8.290 nan 0.000 0.528 59 S N 1.253 116.888 115.700 -0.108 0.000 3.113 59 S HA 0.180 4.650 4.470 -0.000 0.000 0.265 59 S C 0.068 174.439 174.600 -0.382 0.000 1.079 59 S CA -0.330 57.710 58.200 -0.267 0.000 0.892 59 S CB -0.001 62.896 63.200 -0.504 0.000 0.880 59 S HN 0.490 nan 8.310 nan 0.000 0.444 60 Y N 2.911 123.181 120.300 -0.049 0.000 2.319 60 Y HA 0.526 5.076 4.550 -0.000 0.000 0.328 60 Y C 0.286 176.072 175.900 -0.190 0.000 1.133 60 Y CA -0.339 57.686 58.100 -0.125 0.000 1.265 60 Y CB 1.206 39.637 38.460 -0.049 0.000 1.218 60 Y HN 0.132 nan 8.280 nan 0.000 0.508 61 V N -0.092 119.711 119.914 -0.185 0.000 3.102 61 V HA 1.101 5.221 4.120 -0.000 0.000 0.312 61 V C -0.292 175.614 176.094 -0.312 0.000 1.135 61 V CA -0.553 61.558 62.300 -0.315 0.000 1.022 61 V CB 1.694 33.249 31.823 -0.448 0.000 1.056 61 V HN 0.926 nan 8.190 nan 0.000 0.436 62 G N 0.322 108.891 108.800 -0.385 0.000 2.606 62 G HA2 0.718 4.678 3.960 -0.000 0.000 0.300 62 G HA3 0.718 4.678 3.960 -0.000 0.000 0.300 62 G C -3.432 171.301 174.900 -0.279 0.000 1.360 62 G CA -1.143 43.780 45.100 -0.294 0.000 0.783 62 G HN 0.720 nan 8.290 nan 0.000 0.484 63 P HA 0.106 nan 4.420 nan 0.000 0.265 63 P C 0.793 178.067 177.300 -0.043 0.000 1.187 63 P CA 2.003 65.053 63.100 -0.082 0.000 0.766 63 P CB 0.860 32.541 31.700 -0.032 0.000 0.820 64 T N -1.480 113.082 114.554 0.015 0.000 7.013 64 T HA -0.252 4.098 4.350 -0.000 0.000 0.288 64 T C 0.254 174.987 174.700 0.055 0.000 2.146 64 T CA 1.020 63.210 62.100 0.149 0.000 3.498 64 T CB -2.684 66.401 68.868 0.363 0.000 1.517 64 T HN 0.591 nan 8.240 nan 0.000 1.113 65 Q N 1.374 121.016 119.800 -0.262 0.000 3.150 65 Q HA 0.378 4.718 4.340 -0.000 0.000 0.297 65 Q C 0.885 176.790 176.000 -0.158 0.000 1.382 65 Q CA -0.475 55.077 55.803 -0.418 0.000 1.059 65 Q CB 0.216 28.510 28.738 -0.741 0.000 1.559 65 Q HN 0.490 nan 8.270 nan 0.000 0.548 66 N N 0.874 119.557 118.700 -0.028 0.000 2.354 66 N HA -0.064 4.676 4.740 -0.000 0.000 0.179 66 N C 1.244 176.769 175.510 0.025 0.000 1.021 66 N CA 0.783 53.840 53.050 0.012 0.000 0.887 66 N CB 0.267 38.783 38.487 0.050 0.000 0.974 66 N HN 0.382 nan 8.380 nan 0.000 0.437 67 R N 0.528 121.049 120.500 0.035 0.000 2.066 67 R HA 0.004 4.344 4.340 -0.000 0.000 0.232 67 R C 2.052 178.373 176.300 0.035 0.000 1.131 67 R CA 0.755 56.881 56.100 0.044 0.000 0.955 67 R CB -0.362 29.977 30.300 0.066 0.000 0.851 67 R HN 0.094 nan 8.270 nan 0.000 0.432 68 I N 1.210 121.798 120.570 0.029 0.000 2.315 68 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 68 I C 1.823 178.013 176.117 0.122 0.000 1.117 68 I CA 1.373 62.714 61.300 0.068 0.000 1.404 68 I CB -0.050 38.001 38.000 0.086 0.000 1.071 68 I HN 0.098 nan 8.210 nan 0.000 0.419 69 L N 0.157 121.435 121.223 0.092 0.000 2.046 69 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 69 L C 2.751 179.670 176.870 0.082 0.000 1.077 69 L CA 1.323 56.233 54.840 0.117 0.000 0.747 69 L CB -0.822 41.258 42.059 0.034 0.000 0.896 69 L HN 0.258 nan 8.230 nan 0.000 0.432 70 R N 0.667 121.195 120.500 0.046 0.000 2.066 70 R HA -0.174 4.166 4.340 -0.000 0.000 0.232 70 R C 2.312 178.622 176.300 0.016 0.000 1.131 70 R CA 1.586 57.704 56.100 0.030 0.000 0.955 70 R CB -0.586 29.730 30.300 0.027 0.000 0.851 70 R HN 0.242 nan 8.270 nan 0.000 0.432 71 L N 1.232 122.461 121.223 0.009 0.000 2.012 71 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 71 L C 2.418 179.253 176.870 -0.057 0.000 1.073 71 L CA 2.332 57.161 54.840 -0.018 0.000 0.748 71 L CB -0.859 41.189 42.059 -0.018 0.000 0.891 71 L HN 0.244 nan 8.230 nan 0.000 0.431 72 A N -0.661 122.111 122.820 -0.080 0.000 1.902 72 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 72 A C 2.465 179.994 177.584 -0.092 0.000 1.181 72 A CA 2.005 53.925 52.037 -0.195 0.000 0.623 72 A CB -0.653 18.132 19.000 -0.359 0.000 0.818 72 A HN 0.517 nan 8.150 nan 0.000 0.443 73 K N -0.345 120.051 120.400 -0.006 0.000 2.026 73 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 73 K C 2.080 178.673 176.600 -0.011 0.000 1.048 73 K CA 1.710 58.003 56.287 0.010 0.000 0.929 73 K CB -0.190 32.328 32.500 0.030 0.000 0.713 73 K HN 0.616 nan 8.250 nan 0.000 0.439 74 E N 0.408 120.598 120.200 -0.016 0.000 2.153 74 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 74 E C 1.640 178.222 176.600 -0.030 0.000 0.988 74 E CA 0.908 57.297 56.400 -0.017 0.000 0.811 74 E CB 0.033 29.726 29.700 -0.012 0.000 0.746 74 E HN 0.355 nan 8.360 nan 0.000 0.466 75 L N -0.770 120.421 121.223 -0.054 0.000 2.599 75 L HA 0.148 4.488 4.340 -0.000 0.000 0.230 75 L C 1.357 178.187 176.870 -0.067 0.000 1.141 75 L CA 0.464 55.263 54.840 -0.069 0.000 0.877 75 L CB 0.217 42.213 42.059 -0.105 0.000 1.009 75 L HN 0.356 nan 8.230 nan 0.000 0.447 76 G N 0.249 109.018 108.800 -0.051 0.000 2.131 76 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.223 76 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.223 76 G C 0.062 174.938 174.900 -0.040 0.000 0.990 76 G CA -0.343 44.735 45.100 -0.037 0.000 0.671 76 G HN 0.193 nan 8.290 nan 0.000 0.521 77 L N -0.110 121.077 121.223 -0.060 0.000 2.379 77 L HA 0.738 5.078 4.340 -0.000 0.000 0.269 77 L C 0.607 177.516 176.870 0.065 0.000 1.084 77 L CA -0.723 54.090 54.840 -0.045 0.000 0.802 77 L CB 1.109 43.045 42.059 -0.206 0.000 1.175 77 L HN 0.186 nan 8.230 nan 0.000 0.448 78 E N -0.083 120.198 120.200 0.135 0.000 2.336 78 E HA 0.463 4.813 4.350 -0.000 0.000 0.267 78 E C -0.966 175.788 176.600 0.258 0.000 0.906 78 E CA -0.722 55.779 56.400 0.168 0.000 0.781 78 E CB 2.465 32.232 29.700 0.113 0.000 1.261 78 E HN 0.665 nan 8.360 nan 0.000 0.436 79 T N -1.409 113.242 114.554 0.162 0.000 2.948 79 T HA 0.622 4.972 4.350 -0.000 0.000 0.285 79 T C -0.702 174.076 174.700 0.129 0.000 1.019 79 T CA -0.688 61.440 62.100 0.046 0.000 1.013 79 T CB 0.681 69.449 68.868 -0.167 0.000 1.117 79 T HN 0.528 nan 8.240 nan 0.000 0.533 80 Y N -1.521 118.772 120.300 -0.010 0.000 2.609 80 Y HA 0.750 5.300 4.550 0.000 0.000 0.342 80 Y C -0.772 175.127 175.900 -0.001 0.000 1.058 80 Y CA -1.562 56.546 58.100 0.012 0.000 1.055 80 Y CB 1.389 39.878 38.460 0.048 0.000 1.292 80 Y HN 0.621 nan 8.280 nan 0.000 0.476 81 K N 2.136 122.597 120.400 0.102 0.000 2.234 81 K HA 0.454 4.774 4.320 -0.000 0.000 0.282 81 K C -0.856 175.782 176.600 0.063 0.000 1.039 81 K CA -0.790 55.498 56.287 0.003 0.000 0.928 81 K CB 1.633 34.158 32.500 0.041 0.000 1.039 81 K HN 0.579 nan 8.250 nan 0.000 0.470 82 V N 3.251 123.145 119.914 -0.032 0.000 2.673 82 V HA -0.105 4.015 4.120 -0.000 0.000 0.303 82 V C 0.538 176.680 176.094 0.080 0.000 1.046 82 V CA -0.164 62.173 62.300 0.062 0.000 1.126 82 V CB 0.347 32.200 31.823 0.050 0.000 0.934 82 V HN 0.728 nan 8.190 nan 0.000 0.487 83 N N 3.837 122.607 118.700 0.118 0.000 2.438 83 N HA 0.023 4.763 4.740 -0.000 0.000 0.267 83 N C 0.247 175.781 175.510 0.039 0.000 1.222 83 N CA 0.512 53.617 53.050 0.092 0.000 0.930 83 N CB 0.266 38.831 38.487 0.131 0.000 1.083 83 N HN 0.825 nan 8.380 nan 0.000 0.476 84 E N 2.921 123.131 120.200 0.017 0.000 3.254 84 E HA 0.109 4.459 4.350 -0.000 0.000 0.184 84 E C 0.307 176.898 176.600 -0.015 0.000 0.967 84 E CA -0.050 56.340 56.400 -0.018 0.000 1.311 84 E CB 0.258 29.933 29.700 -0.042 0.000 1.071 84 E HN 0.437 nan 8.360 nan 0.000 0.456 85 V N 0.469 120.387 119.914 0.007 0.000 2.307 85 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 85 V C 0.969 177.062 176.094 -0.001 0.000 1.045 85 V CA 1.615 63.917 62.300 0.003 0.000 1.024 85 V CB -0.142 31.687 31.823 0.010 0.000 0.651 85 V HN 0.251 nan 8.190 nan 0.000 0.449 86 E N -0.724 119.483 120.200 0.011 0.000 3.099 86 E HA 0.397 4.747 4.350 -0.000 0.000 0.259 86 E C 0.204 176.806 176.600 0.004 0.000 1.274 86 E CA -0.641 55.769 56.400 0.017 0.000 1.111 86 E CB 0.253 29.977 29.700 0.042 0.000 1.327 86 E HN 0.304 nan 8.360 nan 0.000 0.652 87 R N 0.213 120.738 120.500 0.041 0.000 2.539 87 R HA 0.277 4.617 4.340 -0.000 0.000 0.275 87 R C -0.459 175.785 176.300 -0.093 0.000 1.077 87 R CA -0.539 55.557 56.100 -0.006 0.000 1.097 87 R CB 0.120 30.484 30.300 0.107 0.000 1.018 87 R HN 0.184 nan 8.270 nan 0.000 0.483 88 L N 2.466 123.449 121.223 -0.401 0.000 2.456 88 L HA 0.370 4.710 4.340 -0.000 0.000 0.257 88 L C 0.208 176.818 176.870 -0.433 0.000 1.162 88 L CA 0.205 54.700 54.840 -0.575 0.000 0.808 88 L CB 0.478 41.869 42.059 -1.114 0.000 1.136 88 L HN 0.459 nan 8.230 nan 0.000 0.466 89 I N 0.165 120.633 120.570 -0.170 0.000 2.498 89 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 89 I C -0.644 175.760 176.117 0.478 0.000 1.032 89 I CA -0.497 60.870 61.300 0.112 0.000 1.073 89 I CB 1.588 39.510 38.000 -0.131 0.000 1.251 89 I HN 0.547 nan 8.210 nan 0.000 0.426 90 H N 5.294 124.686 119.070 0.537 0.000 2.541 90 H HA 0.319 4.875 4.556 -0.000 0.000 0.316 90 H C -1.297 174.273 175.328 0.404 0.000 1.043 90 H CA -0.726 55.584 56.048 0.437 0.000 1.232 90 H CB 0.912 30.852 29.762 0.297 0.000 1.406 90 H HN 0.609 nan 8.280 nan 0.000 0.469 91 H N 4.664 123.881 119.070 0.245 0.000 2.597 91 H HA 0.373 4.929 4.556 -0.000 0.000 0.303 91 H C -1.389 173.953 175.328 0.023 0.000 1.057 91 H CA -0.426 55.688 56.048 0.110 0.000 1.261 91 H CB 0.795 30.617 29.762 0.100 0.000 1.397 91 H HN 0.344 nan 8.280 nan 0.000 0.461 92 V N 5.707 125.493 119.914 -0.214 0.000 2.760 92 V HA 0.286 4.406 4.120 -0.000 0.000 0.309 92 V C -0.504 175.528 176.094 -0.103 0.000 1.077 92 V CA -0.880 61.330 62.300 -0.150 0.000 0.910 92 V CB 1.472 33.122 31.823 -0.289 0.000 1.008 92 V HN 1.035 nan 8.190 nan 0.000 0.424 93 K N 4.716 125.090 120.400 -0.043 0.000 3.071 93 K HA -0.212 4.108 4.320 -0.000 0.000 0.262 93 K C 0.921 177.480 176.600 -0.067 0.000 0.977 93 K CA 0.922 57.198 56.287 -0.018 0.000 0.721 93 K CB -1.590 30.918 32.500 0.012 0.000 1.293 93 K HN 2.013 nan 8.250 nan 0.000 0.475 94 G N -0.153 108.558 108.800 -0.148 0.000 2.148 94 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 94 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 94 G C -0.198 174.517 174.900 -0.309 0.000 0.981 94 G CA 1.006 46.039 45.100 -0.112 0.000 0.670 94 G HN 0.398 nan 8.290 nan 0.000 0.528 95 K N -0.006 120.032 120.400 -0.603 0.000 2.422 95 K HA 0.604 4.924 4.320 -0.000 0.000 0.251 95 K C -0.613 175.617 176.600 -0.617 0.000 0.933 95 K CA -0.645 55.350 56.287 -0.487 0.000 0.798 95 K CB 2.026 34.302 32.500 -0.374 0.000 1.238 95 K HN 0.061 nan 8.250 nan 0.000 0.428 96 S N 1.691 117.185 115.700 -0.344 0.000 2.499 96 S HA 0.368 4.838 4.470 -0.000 0.000 0.279 96 S C -1.178 173.225 174.600 -0.328 0.000 1.219 96 S CA -0.487 57.646 58.200 -0.113 0.000 1.062 96 S CB 0.153 63.393 63.200 0.067 0.000 0.978 96 S HN 0.356 nan 8.310 nan 0.000 0.489 97 Y N 2.800 123.185 120.300 0.143 0.000 2.447 97 Y HA 0.349 4.899 4.550 -0.000 0.000 0.325 97 Y C -2.458 173.642 175.900 0.333 0.000 0.976 97 Y CA -2.435 55.789 58.100 0.207 0.000 1.280 97 Y CB 0.818 39.393 38.460 0.192 0.000 1.104 97 Y HN 0.460 nan 8.280 nan 0.000 0.486 98 P HA 0.215 nan 4.420 nan 0.000 0.271 98 P C -0.844 176.743 177.300 0.478 0.000 1.218 98 P CA 0.026 63.345 63.100 0.365 0.000 0.780 98 P CB 0.563 32.472 31.700 0.349 0.000 0.901 99 F N -0.866 119.207 119.950 0.205 0.000 2.711 99 F HA 0.697 5.224 4.527 -0.000 0.000 0.313 99 F C -0.985 174.890 175.800 0.124 0.000 1.141 99 F CA -1.344 56.764 58.000 0.179 0.000 0.941 99 F CB 1.455 40.567 39.000 0.187 0.000 1.349 99 F HN 0.035 nan 8.300 nan 0.000 0.464 100 R N 0.910 121.540 120.500 0.216 0.000 2.832 100 R HA 0.783 5.123 4.340 -0.000 0.000 0.271 100 R C -0.270 176.136 176.300 0.177 0.000 0.996 100 R CA -0.700 55.438 56.100 0.064 0.000 0.977 100 R CB 1.695 32.039 30.300 0.073 0.000 1.168 100 R HN 1.436 nan 8.270 nan 0.000 0.482 101 G N 1.472 110.295 108.800 0.038 0.000 2.756 101 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.678 101 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.678 101 G C -2.062 172.813 174.900 -0.042 0.000 1.349 101 G CA -0.738 44.355 45.100 -0.011 0.000 0.847 101 G HN 0.464 nan 8.290 nan 0.000 0.548 102 P HA 0.148 nan 4.420 nan 0.000 0.231 102 P C 0.359 177.446 177.300 -0.356 0.000 1.168 102 P CA 0.931 63.748 63.100 -0.472 0.000 0.779 102 P CB 0.068 31.222 31.700 -0.910 0.000 0.844 103 F N 2.346 122.330 119.950 0.058 0.000 2.444 103 F HA 0.435 4.962 4.527 -0.000 0.000 0.342 103 F C -2.042 173.526 175.800 -0.387 0.000 1.121 103 F CA -3.330 54.573 58.000 -0.161 0.000 0.997 103 F CB 1.009 39.864 39.000 -0.242 0.000 1.130 103 F HN -0.269 nan 8.300 nan 0.000 0.454 104 P HA 0.169 nan 4.420 nan 0.000 0.271 104 P C -2.591 174.404 177.300 -0.508 0.000 1.226 104 P CA -1.196 61.157 63.100 -1.246 0.000 0.765 104 P CB 0.211 31.302 31.700 -1.016 0.000 0.835 105 P HA 0.149 nan 4.420 nan 0.000 0.272 105 P C -0.672 176.445 177.300 -0.305 0.000 1.223 105 P CA -0.001 62.928 63.100 -0.285 0.000 0.784 105 P CB 0.479 32.056 31.700 -0.205 0.000 0.923 106 V N 2.025 121.702 119.914 -0.395 0.000 2.540 106 V HA 0.278 4.398 4.120 -0.000 0.000 0.302 106 V C -0.106 175.791 176.094 -0.329 0.000 1.035 106 V CA -0.236 61.868 62.300 -0.327 0.000 0.873 106 V CB 1.786 33.333 31.823 -0.459 0.000 0.992 106 V HN 0.711 nan 8.190 nan 0.000 0.428 107 W N 0.724 121.998 121.300 -0.043 0.000 2.777 107 W HA 0.225 4.885 4.660 -0.000 0.000 0.260 107 W C 1.335 177.844 176.519 -0.017 0.000 1.194 107 W CA -0.170 57.159 57.345 -0.028 0.000 1.447 107 W CB 0.342 29.776 29.460 -0.042 0.000 1.009 107 W HN 0.510 nan 8.180 nan 0.000 0.613 108 N N 2.264 121.078 118.700 0.189 0.000 2.447 108 N HA -0.037 4.703 4.740 -0.000 0.000 0.263 108 N C -1.810 173.767 175.510 0.111 0.000 1.226 108 N CA -0.391 52.734 53.050 0.125 0.000 0.906 108 N CB 1.483 40.027 38.487 0.095 0.000 1.060 108 N HN -0.133 nan 8.380 nan 0.000 0.468 109 P HA -0.082 nan 4.420 nan 0.000 0.216 109 P C 1.534 178.899 177.300 0.108 0.000 1.153 109 P CA 0.662 63.806 63.100 0.073 0.000 0.848 109 P CB 0.355 32.079 31.700 0.039 0.000 0.787 110 I N -0.665 119.957 120.570 0.087 0.000 2.252 110 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 110 I C 1.930 178.113 176.117 0.109 0.000 1.102 110 I CA 1.803 63.151 61.300 0.080 0.000 1.385 110 I CB -1.971 36.069 38.000 0.067 0.000 1.064 110 I HN 0.014 nan 8.210 nan 0.000 0.414 111 T N 0.247 114.876 114.554 0.125 0.000 2.788 111 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 111 T C 1.880 176.682 174.700 0.169 0.000 1.044 111 T CA 1.336 63.534 62.100 0.163 0.000 1.139 111 T CB -0.588 68.354 68.868 0.124 0.000 0.867 111 T HN 0.286 nan 8.240 nan 0.000 0.454 112 Y N 1.804 122.096 120.300 -0.013 0.000 2.128 112 Y HA -0.140 4.410 4.550 -0.000 0.000 0.284 112 Y C 2.059 177.966 175.900 0.012 0.000 1.154 112 Y CA 1.253 59.320 58.100 -0.055 0.000 1.149 112 Y CB -0.469 37.931 38.460 -0.099 0.000 0.976 112 Y HN 0.110 nan 8.280 nan 0.000 0.505 113 L N -0.280 121.040 121.223 0.161 0.000 2.046 113 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 113 L C 2.173 179.040 176.870 -0.005 0.000 1.077 113 L CA 1.775 56.652 54.840 0.062 0.000 0.747 113 L CB -0.635 41.457 42.059 0.054 0.000 0.896 113 L HN 0.239 nan 8.230 nan 0.000 0.432 114 D N -0.922 119.503 120.400 0.040 0.000 2.097 114 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 114 D C 2.185 178.492 176.300 0.011 0.000 0.984 114 D CA 1.235 55.258 54.000 0.040 0.000 0.826 114 D CB 0.046 40.899 40.800 0.088 0.000 0.973 114 D HN 0.286 nan 8.370 nan 0.000 0.460 115 H N -0.535 118.480 119.070 -0.093 0.000 2.290 115 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 115 H C 2.016 177.309 175.328 -0.058 0.000 1.087 115 H CA 1.531 57.521 56.048 -0.095 0.000 1.291 115 H CB -0.198 29.510 29.762 -0.089 0.000 1.369 115 H HN 0.183 nan 8.280 nan 0.000 0.492 116 N N 0.953 119.611 118.700 -0.070 0.000 2.069 116 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 116 N C 1.766 177.232 175.510 -0.074 0.000 1.031 116 N CA 1.436 54.396 53.050 -0.150 0.000 0.852 116 N CB -0.303 37.986 38.487 -0.331 0.000 1.018 116 N HN 0.296 nan 8.380 nan 0.000 0.423 117 N N -0.908 117.751 118.700 -0.069 0.000 2.188 117 N HA -0.194 4.546 4.740 -0.000 0.000 0.184 117 N C 1.749 177.210 175.510 -0.082 0.000 1.018 117 N CA 0.938 53.945 53.050 -0.071 0.000 0.858 117 N CB -0.280 38.175 38.487 -0.054 0.000 0.989 117 N HN 0.318 nan 8.380 nan 0.000 0.426 118 F N 0.764 120.574 119.950 -0.232 0.000 2.046 118 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 118 F C 1.794 177.396 175.800 -0.329 0.000 1.123 118 F CA 1.738 59.528 58.000 -0.351 0.000 1.199 118 F CB -0.922 37.726 39.000 -0.588 0.000 0.972 118 F HN 0.073 nan 8.300 nan 0.000 0.474 119 W N 0.617 121.643 121.300 -0.457 0.000 2.358 119 W HA -0.096 4.564 4.660 -0.000 0.000 0.303 119 W C 2.847 179.086 176.519 -0.466 0.000 1.208 119 W CA 1.406 58.403 57.345 -0.580 0.000 1.274 119 W CB -0.602 28.636 29.460 -0.370 0.000 1.138 119 W HN -0.048 nan 8.180 nan 0.000 0.515 120 R N 0.132 120.560 120.500 -0.121 0.000 2.073 120 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 120 R C 1.933 178.120 176.300 -0.188 0.000 1.134 120 R CA 2.201 58.209 56.100 -0.152 0.000 0.952 120 R CB -0.705 29.508 30.300 -0.145 0.000 0.850 120 R HN 0.025 nan 8.270 nan 0.000 0.433 121 T N 1.361 115.778 114.554 -0.228 0.000 2.788 121 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 121 T C 1.845 176.379 174.700 -0.277 0.000 1.044 121 T CA 1.376 63.344 62.100 -0.221 0.000 1.139 121 T CB -0.051 68.701 68.868 -0.193 0.000 0.867 121 T HN 0.185 nan 8.240 nan 0.000 0.454 122 M N 1.554 120.913 119.600 -0.402 0.000 2.082 122 M HA -0.127 4.353 4.480 -0.000 0.000 0.258 122 M C 1.842 178.009 176.300 -0.221 0.000 1.069 122 M CA 1.590 56.680 55.300 -0.350 0.000 1.102 122 M CB -1.025 31.314 32.600 -0.435 0.000 1.336 122 M HN 0.192 nan 8.290 nan 0.000 0.404 123 D N 0.354 120.640 120.400 -0.190 0.000 2.149 123 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 123 D C 1.605 177.833 176.300 -0.121 0.000 0.972 123 D CA 0.965 54.878 54.000 -0.145 0.000 0.835 123 D CB -0.303 40.418 40.800 -0.132 0.000 0.966 123 D HN 0.284 nan 8.370 nan 0.000 0.476 124 D N 0.369 120.696 120.400 -0.122 0.000 2.104 124 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 124 D C 2.185 178.466 176.300 -0.031 0.000 0.994 124 D CA 0.823 54.776 54.000 -0.078 0.000 0.830 124 D CB -0.228 40.525 40.800 -0.078 0.000 0.959 124 D HN 0.237 nan 8.370 nan 0.000 0.452 125 M N 0.110 119.660 119.600 -0.083 0.000 2.132 125 M HA -0.039 4.441 4.480 -0.000 0.000 0.263 125 M C 2.329 178.662 176.300 0.055 0.000 1.065 125 M CA 1.587 56.851 55.300 -0.060 0.000 1.122 125 M CB -0.412 31.885 32.600 -0.506 0.000 1.365 125 M HN 0.030 nan 8.290 nan 0.000 0.411 126 G N 0.221 108.992 108.800 -0.048 0.000 2.450 126 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 126 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 126 G C 1.612 176.506 174.900 -0.010 0.000 1.130 126 G CA 0.667 45.745 45.100 -0.035 0.000 0.760 126 G HN 0.406 nan 8.290 nan 0.000 0.557 127 R N 0.078 120.569 120.500 -0.016 0.000 2.241 127 R HA -0.005 4.335 4.340 -0.000 0.000 0.224 127 R C 1.654 177.958 176.300 0.006 0.000 1.101 127 R CA 0.851 56.937 56.100 -0.024 0.000 0.995 127 R CB 0.054 30.333 30.300 -0.035 0.000 0.870 127 R HN 0.264 nan 8.270 nan 0.000 0.463 128 E N 0.217 120.461 120.200 0.073 0.000 2.479 128 E HA 0.093 4.443 4.350 -0.000 0.000 0.193 128 E C 0.011 176.639 176.600 0.047 0.000 1.049 128 E CA 0.322 56.760 56.400 0.063 0.000 0.870 128 E CB 0.414 30.179 29.700 0.108 0.000 0.944 128 E HN 0.319 nan 8.360 nan 0.000 0.492 129 I N 2.685 123.298 120.570 0.073 0.000 2.354 129 I HA 0.207 4.377 4.170 -0.000 0.000 0.286 129 I C -2.417 173.702 176.117 0.003 0.000 1.007 129 I CA -2.372 58.968 61.300 0.067 0.000 1.167 129 I CB 1.488 39.595 38.000 0.178 0.000 1.320 129 I HN -0.338 nan 8.210 nan 0.000 0.458 130 P HA 0.112 nan 4.420 nan 0.000 0.267 130 P C 0.486 177.754 177.300 -0.053 0.000 1.209 130 P CA 0.177 63.206 63.100 -0.118 0.000 0.763 130 P CB 0.909 32.482 31.700 -0.212 0.000 0.816 131 S N 2.127 117.812 115.700 -0.025 0.000 2.382 131 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 131 S C 1.261 175.962 174.600 0.169 0.000 1.027 131 S CA 1.799 60.067 58.200 0.113 0.000 0.991 131 S CB -0.580 62.590 63.200 -0.051 0.000 0.823 131 S HN 0.676 nan 8.310 nan 0.000 0.469 132 D N 0.442 120.789 120.400 -0.089 0.000 2.339 132 D HA 0.275 4.915 4.640 -0.000 0.000 0.217 132 D C 0.266 176.331 176.300 -0.393 0.000 1.050 132 D CA 0.330 54.229 54.000 -0.169 0.000 0.856 132 D CB 0.072 40.706 40.800 -0.277 0.000 0.922 132 D HN 0.267 nan 8.370 nan 0.000 0.518 133 A N 1.083 123.505 122.820 -0.663 0.000 3.330 133 A HA 0.347 4.667 4.320 -0.000 0.000 0.256 133 A C -2.174 174.618 177.584 -1.320 0.000 1.185 133 A CA -0.770 50.372 52.037 -1.493 0.000 0.940 133 A CB 0.829 19.242 19.000 -0.978 0.000 1.397 133 A HN -0.105 nan 8.150 nan 0.000 0.678 134 P HA -0.176 nan 4.420 nan 0.000 0.219 134 P C 1.197 178.300 177.300 -0.328 0.000 1.146 134 P CA 1.475 64.270 63.100 -0.508 0.000 0.808 134 P CB -0.326 31.048 31.700 -0.544 0.000 0.779 135 W N 0.723 121.949 121.300 -0.124 0.000 2.721 135 W HA 0.133 4.793 4.660 -0.000 0.000 0.245 135 W C 1.283 177.756 176.519 -0.077 0.000 1.276 135 W CA 0.319 57.611 57.345 -0.088 0.000 1.342 135 W CB -1.341 28.063 29.460 -0.094 0.000 1.135 135 W HN -0.110 nan 8.180 nan 0.000 0.654 136 K N 0.823 121.041 120.400 -0.303 0.000 2.374 136 K HA 0.323 4.643 4.320 -0.000 0.000 0.196 136 K C 0.977 177.485 176.600 -0.154 0.000 1.023 136 K CA 0.141 56.323 56.287 -0.175 0.000 1.103 136 K CB 0.040 32.397 32.500 -0.238 0.000 0.848 136 K HN 0.091 nan 8.250 nan 0.000 0.528 137 A N 2.469 125.196 122.820 -0.155 0.000 2.531 137 A HA 0.062 4.382 4.320 -0.000 0.000 0.236 137 A C -1.601 175.853 177.584 -0.217 0.000 1.062 137 A CA -0.928 51.011 52.037 -0.164 0.000 0.760 137 A CB 0.065 18.986 19.000 -0.131 0.000 0.995 137 A HN -0.008 nan 8.150 nan 0.000 0.501 138 P HA -0.121 nan 4.420 nan 0.000 0.216 138 P C 0.512 177.618 177.300 -0.323 0.000 1.150 138 P CA 1.239 64.199 63.100 -0.233 0.000 0.843 138 P CB 0.042 31.619 31.700 -0.205 0.000 0.787 139 L N -2.104 118.767 121.223 -0.586 0.000 2.984 139 L HA 0.361 4.701 4.340 -0.000 0.000 0.246 139 L C 1.852 178.318 176.870 -0.673 0.000 1.268 139 L CA -0.309 54.086 54.840 -0.741 0.000 1.054 139 L CB -0.493 40.843 42.059 -1.206 0.000 1.393 139 L HN -0.109 nan 8.230 nan 0.000 0.532 140 A N 0.531 123.140 122.820 -0.352 0.000 1.892 140 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 140 A C 2.198 179.774 177.584 -0.013 0.000 1.188 140 A CA 1.764 53.732 52.037 -0.114 0.000 0.631 140 A CB -0.163 18.824 19.000 -0.023 0.000 0.822 140 A HN 0.505 nan 8.150 nan 0.000 0.447 141 E N -0.913 119.265 120.200 -0.037 0.000 2.051 141 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 141 E C 2.127 178.757 176.600 0.050 0.000 0.991 141 E CA 1.211 57.623 56.400 0.019 0.000 0.799 141 E CB -0.260 29.439 29.700 -0.002 0.000 0.748 141 E HN 0.833 nan 8.360 nan 0.000 0.449 142 E N 0.134 120.333 120.200 -0.002 0.000 2.070 142 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 142 E C 1.771 178.531 176.600 0.268 0.000 1.004 142 E CA 1.313 57.760 56.400 0.079 0.000 0.805 142 E CB -0.018 29.686 29.700 0.006 0.000 0.744 142 E HN 0.276 nan 8.360 nan 0.000 0.451 143 W N 0.876 122.218 121.300 0.069 0.000 2.436 143 W HA -0.020 4.640 4.660 -0.000 0.000 0.284 143 W C 1.941 178.530 176.519 0.117 0.000 1.225 143 W CA 0.679 58.077 57.345 0.089 0.000 1.271 143 W CB -0.975 28.538 29.460 0.089 0.000 1.114 143 W HN 0.225 nan 8.180 nan 0.000 0.559 144 D N -0.267 120.332 120.400 0.331 0.000 2.269 144 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 144 D C 1.254 177.682 176.300 0.213 0.000 0.963 144 D CA 0.942 55.102 54.000 0.266 0.000 0.864 144 D CB -0.204 40.726 40.800 0.217 0.000 0.936 144 D HN -0.103 nan 8.370 nan 0.000 0.505 145 N N -0.491 118.320 118.700 0.183 0.000 2.322 145 N HA 0.104 4.844 4.740 -0.000 0.000 0.194 145 N C -0.142 175.449 175.510 0.134 0.000 1.126 145 N CA 0.124 53.258 53.050 0.139 0.000 0.845 145 N CB 0.293 38.845 38.487 0.107 0.000 0.976 145 N HN 0.306 nan 8.380 nan 0.000 0.475 146 M N 0.178 119.875 119.600 0.161 0.000 2.528 146 M HA 0.212 4.692 4.480 -0.000 0.000 0.321 146 M C 0.034 176.414 176.300 0.134 0.000 1.153 146 M CA -0.580 54.800 55.300 0.133 0.000 0.951 146 M CB 1.928 34.612 32.600 0.140 0.000 1.705 146 M HN -0.006 nan 8.290 nan 0.000 0.451 147 T N -0.086 114.527 114.554 0.099 0.000 2.816 147 T HA 0.241 4.591 4.350 -0.000 0.000 0.282 147 T C 1.146 175.878 174.700 0.054 0.000 0.993 147 T CA -0.856 61.297 62.100 0.089 0.000 0.994 147 T CB 0.879 69.790 68.868 0.072 0.000 1.025 147 T HN 0.635 nan 8.240 nan 0.000 0.529 148 M N 0.323 119.935 119.600 0.020 0.000 2.213 148 M HA -0.022 4.458 4.480 -0.000 0.000 0.263 148 M C 2.206 178.467 176.300 -0.065 0.000 1.062 148 M CA 1.559 56.828 55.300 -0.051 0.000 1.105 148 M CB -1.312 31.168 32.600 -0.199 0.000 1.385 148 M HN 0.862 nan 8.290 nan 0.000 0.417 149 K N 0.548 120.919 120.400 -0.048 0.000 2.032 149 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 149 K C 1.713 178.292 176.600 -0.034 0.000 1.048 149 K CA 1.689 57.954 56.287 -0.037 0.000 0.927 149 K CB 0.017 32.528 32.500 0.018 0.000 0.712 149 K HN 0.407 nan 8.250 nan 0.000 0.441 150 E N 0.468 120.662 120.200 -0.009 0.000 2.077 150 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 150 E C 2.028 178.618 176.600 -0.018 0.000 0.989 150 E CA 1.064 57.459 56.400 -0.009 0.000 0.800 150 E CB -0.117 29.594 29.700 0.019 0.000 0.746 150 E HN 0.189 nan 8.360 nan 0.000 0.452 151 L N 1.098 122.313 121.223 -0.014 0.000 2.027 151 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 151 L C 2.056 178.912 176.870 -0.024 0.000 1.074 151 L CA 1.517 56.344 54.840 -0.021 0.000 0.745 151 L CB -0.340 41.699 42.059 -0.034 0.000 0.898 151 L HN 0.119 nan 8.230 nan 0.000 0.433 152 L N -0.775 120.422 121.223 -0.043 0.000 2.083 152 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 152 L C 2.229 179.033 176.870 -0.110 0.000 1.083 152 L CA 1.317 56.103 54.840 -0.090 0.000 0.752 152 L CB -0.928 41.036 42.059 -0.159 0.000 0.899 152 L HN 0.284 nan 8.230 nan 0.000 0.433 153 D N 0.294 120.634 120.400 -0.100 0.000 2.144 153 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 153 D C 2.219 178.434 176.300 -0.141 0.000 0.984 153 D CA 1.196 55.123 54.000 -0.121 0.000 0.834 153 D CB 0.013 40.754 40.800 -0.098 0.000 0.955 153 D HN 0.264 nan 8.370 nan 0.000 0.465 154 K N -0.198 120.149 120.400 -0.088 0.000 2.062 154 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 154 K C 1.935 178.522 176.600 -0.022 0.000 1.051 154 K CA 0.379 56.627 56.287 -0.065 0.000 0.941 154 K CB 0.159 32.653 32.500 -0.010 0.000 0.719 154 K HN 0.075 nan 8.250 nan 0.000 0.440 155 L N 0.553 121.785 121.223 0.014 0.000 2.202 155 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 155 L C 0.546 177.515 176.870 0.166 0.000 1.083 155 L CA 0.713 55.619 54.840 0.110 0.000 0.790 155 L CB -0.059 42.063 42.059 0.104 0.000 0.942 155 L HN 0.168 nan 8.230 nan 0.000 0.452 156 C N -0.412 118.896 119.300 0.013 0.000 2.303 156 C HA 0.104 4.564 4.460 -0.000 0.000 0.341 156 C C 1.064 176.056 174.990 0.002 0.000 1.244 156 C CA -0.925 58.084 59.018 -0.014 0.000 1.765 156 C CB -0.864 26.758 27.740 -0.197 0.000 2.379 156 C HN 0.483 nan 8.230 nan 0.000 0.530 157 W N 1.808 123.062 121.300 -0.077 0.000 3.077 157 W HA 0.126 4.786 4.660 -0.000 0.000 0.266 157 W C 1.430 177.923 176.519 -0.042 0.000 1.300 157 W CA 0.129 57.446 57.345 -0.047 0.000 1.586 157 W CB -0.111 29.333 29.460 -0.026 0.000 1.103 157 W HN 0.675 nan 8.180 nan 0.000 0.652 158 T N -3.409 111.215 114.554 0.116 0.000 2.885 158 T HA 0.298 4.648 4.350 -0.000 0.000 0.285 158 T C 0.831 175.518 174.700 -0.021 0.000 1.019 158 T CA -0.619 61.516 62.100 0.059 0.000 1.010 158 T CB 2.594 71.518 68.868 0.093 0.000 1.022 158 T HN -0.236 nan 8.240 nan 0.000 0.466 159 E N 1.091 121.283 120.200 -0.013 0.000 2.150 159 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 159 E C 2.164 178.744 176.600 -0.034 0.000 0.985 159 E CA 1.221 57.599 56.400 -0.037 0.000 0.814 159 E CB -0.421 29.269 29.700 -0.016 0.000 0.752 159 E HN 0.748 nan 8.360 nan 0.000 0.466 160 S N 0.589 116.302 115.700 0.022 0.000 2.353 160 S HA -0.198 4.272 4.470 -0.000 0.000 0.222 160 S C 2.092 176.678 174.600 -0.023 0.000 1.035 160 S CA 1.701 59.956 58.200 0.092 0.000 1.025 160 S CB -0.119 63.211 63.200 0.217 0.000 0.902 160 S HN 0.291 nan 8.310 nan 0.000 0.440 161 A N 1.276 123.956 122.820 -0.233 0.000 1.902 161 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 161 A C 2.197 179.411 177.584 -0.617 0.000 1.181 161 A CA 1.822 53.402 52.037 -0.761 0.000 0.623 161 A CB -0.760 17.835 19.000 -0.674 0.000 0.818 161 A HN 0.654 nan 8.150 nan 0.000 0.443 162 K N -0.536 119.629 120.400 -0.391 0.000 2.057 162 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 162 K C 2.262 178.696 176.600 -0.277 0.000 1.049 162 K CA 1.800 57.874 56.287 -0.354 0.000 0.931 162 K CB -0.194 32.174 32.500 -0.221 0.000 0.714 162 K HN 0.635 nan 8.250 nan 0.000 0.440 163 Q N 0.271 119.972 119.800 -0.164 0.000 2.084 163 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 163 Q C 2.113 178.087 176.000 -0.044 0.000 0.978 163 Q CA 1.332 57.095 55.803 -0.067 0.000 0.844 163 Q CB -0.081 28.662 28.738 0.008 0.000 0.898 163 Q HN 0.222 nan 8.270 nan 0.000 0.426 164 L N 0.390 121.570 121.223 -0.072 0.000 2.093 164 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 164 L C 2.103 178.926 176.870 -0.079 0.000 1.085 164 L CA 1.854 56.700 54.840 0.010 0.000 0.755 164 L CB -0.688 41.423 42.059 0.087 0.000 0.904 164 L HN 0.128 nan 8.230 nan 0.000 0.435 165 A N -1.578 120.976 122.820 -0.443 0.000 1.933 165 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 165 A C 2.260 179.747 177.584 -0.162 0.000 1.175 165 A CA 2.258 53.942 52.037 -0.588 0.000 0.628 165 A CB -1.166 16.983 19.000 -1.418 0.000 0.814 165 A HN 0.497 nan 8.150 nan 0.000 0.444 166 T N 0.124 114.575 114.554 -0.171 0.000 2.708 166 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 166 T C 1.868 176.565 174.700 -0.005 0.000 1.037 166 T CA 1.399 63.442 62.100 -0.096 0.000 1.146 166 T CB -0.431 68.387 68.868 -0.082 0.000 0.865 166 T HN 0.397 nan 8.240 nan 0.000 0.435 167 L N 0.240 121.505 121.223 0.070 0.000 2.013 167 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 167 L C 2.234 179.218 176.870 0.191 0.000 1.073 167 L CA 1.680 56.607 54.840 0.145 0.000 0.753 167 L CB -0.410 41.773 42.059 0.206 0.000 0.890 167 L HN 0.233 nan 8.230 nan 0.000 0.432 168 F N -0.370 119.648 119.950 0.112 0.000 2.095 168 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 168 F C 2.108 178.017 175.800 0.181 0.000 1.104 168 F CA 2.093 60.222 58.000 0.215 0.000 1.232 168 F CB -0.703 38.532 39.000 0.392 0.000 0.987 168 F HN -0.123 nan 8.300 nan 0.000 0.475 169 V N 1.163 121.003 119.914 -0.124 0.000 2.295 169 V HA -0.363 3.757 4.120 -0.000 0.000 0.246 169 V C 2.054 178.006 176.094 -0.237 0.000 1.049 169 V CA 2.465 64.516 62.300 -0.416 0.000 1.024 169 V CB -1.109 30.346 31.823 -0.613 0.000 0.648 169 V HN 0.425 nan 8.190 nan 0.000 0.447 170 N N 0.090 118.705 118.700 -0.141 0.000 2.104 170 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 170 N C 1.764 177.221 175.510 -0.088 0.000 1.024 170 N CA 1.327 54.314 53.050 -0.104 0.000 0.853 170 N CB -0.228 38.243 38.487 -0.025 0.000 1.008 170 N HN 0.337 nan 8.380 nan 0.000 0.424 171 L N 0.766 121.970 121.223 -0.031 0.000 2.109 171 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 171 L C 2.039 178.921 176.870 0.019 0.000 1.086 171 L CA 1.428 56.269 54.840 0.002 0.000 0.760 171 L CB -0.519 41.551 42.059 0.019 0.000 0.910 171 L HN 0.227 nan 8.230 nan 0.000 0.437 172 C N -1.444 117.826 119.300 -0.050 0.000 2.446 172 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 172 C C 2.221 177.264 174.990 0.088 0.000 1.275 172 C CA 0.980 60.015 59.018 0.028 0.000 1.727 172 C CB -0.470 27.180 27.740 -0.150 0.000 2.010 172 C HN 0.567 nan 8.230 nan 0.000 0.486 173 V N -2.069 117.811 119.914 -0.055 0.000 3.276 173 V HA 0.299 4.419 4.120 -0.000 0.000 0.319 173 V C 0.732 176.672 176.094 -0.257 0.000 1.476 173 V CA 0.790 63.023 62.300 -0.111 0.000 1.097 173 V CB -1.297 30.591 31.823 0.108 0.000 0.988 173 V HN 0.523 nan 8.190 nan 0.000 0.473 174 T N -1.374 112.948 114.554 -0.387 0.000 3.760 174 T HA -0.088 4.262 4.350 -0.000 0.000 0.366 174 T C 0.131 174.662 174.700 -0.282 0.000 0.761 174 T CA 1.320 63.185 62.100 -0.391 0.000 1.887 174 T CB -2.583 65.928 68.868 -0.596 0.000 1.811 174 T HN 2.449 nan 8.240 nan 0.000 0.749 175 A N -0.276 122.363 122.820 -0.301 0.000 2.587 175 A HA 0.723 5.043 4.320 -0.000 0.000 0.293 175 A C -0.349 177.016 177.584 -0.364 0.000 1.087 175 A CA -1.055 50.728 52.037 -0.424 0.000 0.692 175 A CB 1.254 19.779 19.000 -0.791 0.000 1.291 175 A HN 0.342 nan 8.150 nan 0.000 0.407 176 E N 0.537 120.483 120.200 -0.425 0.000 2.374 176 E HA 0.222 4.572 4.350 -0.000 0.000 0.260 176 E C 1.250 177.549 176.600 -0.502 0.000 1.101 176 E CA 0.568 56.691 56.400 -0.463 0.000 0.907 176 E CB 0.774 30.023 29.700 -0.752 0.000 1.014 176 E HN 0.796 nan 8.360 nan 0.000 0.427 177 T N -1.397 112.940 114.554 -0.362 0.000 2.833 177 T HA -0.191 4.159 4.350 -0.000 0.000 0.269 177 T C 1.415 175.995 174.700 -0.200 0.000 1.054 177 T CA 1.586 63.524 62.100 -0.269 0.000 1.135 177 T CB -0.363 68.397 68.868 -0.181 0.000 0.869 177 T HN 0.613 nan 8.240 nan 0.000 0.466 178 H N 0.551 119.559 119.070 -0.103 0.000 2.555 178 H HA 0.268 4.824 4.556 -0.000 0.000 0.269 178 H C 1.409 176.707 175.328 -0.051 0.000 0.988 178 H CA 0.709 56.717 56.048 -0.066 0.000 1.178 178 H CB -0.161 29.563 29.762 -0.063 0.000 1.373 178 H HN 0.497 nan 8.280 nan 0.000 0.588 179 E N 1.295 121.293 120.200 -0.338 0.000 2.250 179 E HA 0.052 4.402 4.350 -0.000 0.000 0.192 179 E C 0.737 177.297 176.600 -0.068 0.000 0.986 179 E CA 0.403 56.681 56.400 -0.202 0.000 0.849 179 E CB 0.863 30.296 29.700 -0.445 0.000 0.797 179 E HN 0.357 nan 8.360 nan 0.000 0.482 180 V N -1.033 118.835 119.914 -0.076 0.000 2.667 180 V HA 0.434 4.554 4.120 -0.000 0.000 0.308 180 V C -0.023 176.210 176.094 0.231 0.000 1.048 180 V CA -1.180 61.190 62.300 0.115 0.000 0.928 180 V CB 1.838 33.767 31.823 0.176 0.000 1.004 180 V HN -0.030 nan 8.190 nan 0.000 0.444 181 S N 3.182 119.099 115.700 0.362 0.000 2.549 181 S HA 0.462 4.932 4.470 -0.000 0.000 0.283 181 S C 1.442 176.291 174.600 0.415 0.000 1.320 181 S CA 0.184 58.605 58.200 0.369 0.000 1.058 181 S CB 0.996 64.448 63.200 0.421 0.000 0.882 181 S HN 1.763 nan 8.310 nan 0.000 0.498 182 A N 4.776 127.771 122.820 0.292 0.000 1.902 182 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 182 A C 2.025 179.788 177.584 0.298 0.000 1.181 182 A CA 1.625 53.808 52.037 0.243 0.000 0.623 182 A CB -0.935 18.133 19.000 0.114 0.000 0.818 182 A HN 0.966 nan 8.150 nan 0.000 0.443 183 L N -1.478 119.967 121.223 0.369 0.000 2.012 183 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 183 L C 2.222 179.328 176.870 0.394 0.000 1.073 183 L CA 2.539 57.627 54.840 0.412 0.000 0.748 183 L CB -0.779 41.524 42.059 0.407 0.000 0.891 183 L HN 0.658 nan 8.230 nan 0.000 0.431 184 W N -0.602 120.865 121.300 0.278 0.000 2.358 184 W HA -0.277 4.383 4.660 -0.000 0.000 0.303 184 W C 2.346 179.134 176.519 0.448 0.000 1.208 184 W CA 1.895 59.424 57.345 0.306 0.000 1.274 184 W CB -0.666 28.954 29.460 0.267 0.000 1.138 184 W HN 0.287 nan 8.180 nan 0.000 0.515 185 F N 0.709 120.724 119.950 0.109 0.000 2.134 185 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 185 F C 2.077 177.797 175.800 -0.133 0.000 1.097 185 F CA 2.091 59.966 58.000 -0.209 0.000 1.264 185 F CB -0.641 38.371 39.000 0.020 0.000 1.001 185 F HN -0.171 nan 8.300 nan 0.000 0.479 186 L N -1.363 119.879 121.223 0.032 0.000 2.093 186 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 186 L C 2.286 179.086 176.870 -0.117 0.000 1.085 186 L CA 1.551 56.350 54.840 -0.069 0.000 0.755 186 L CB -0.990 41.051 42.059 -0.031 0.000 0.904 186 L HN 0.434 nan 8.230 nan 0.000 0.435 187 W N 0.085 121.264 121.300 -0.203 0.000 2.335 187 W HA -0.321 4.339 4.660 -0.000 0.000 0.311 187 W C 2.624 178.931 176.519 -0.352 0.000 1.213 187 W CA 1.640 58.846 57.345 -0.231 0.000 1.274 187 W CB -0.614 28.741 29.460 -0.176 0.000 1.148 187 W HN 0.122 nan 8.180 nan 0.000 0.498 188 Y N 0.519 120.369 120.300 -0.749 0.000 2.165 188 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 188 Y C 2.355 177.704 175.900 -0.919 0.000 1.155 188 Y CA 2.945 60.397 58.100 -1.080 0.000 1.164 188 Y CB -0.773 37.007 38.460 -1.133 0.000 0.978 188 Y HN -0.141 nan 8.280 nan 0.000 0.513 189 V N 0.961 120.466 119.914 -0.682 0.000 2.307 189 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 189 V C 2.503 178.274 176.094 -0.537 0.000 1.045 189 V CA 2.183 64.163 62.300 -0.533 0.000 1.024 189 V CB -0.665 30.941 31.823 -0.362 0.000 0.651 189 V HN 0.319 nan 8.190 nan 0.000 0.449 190 K N 1.118 121.217 120.400 -0.501 0.000 2.057 190 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 190 K C 2.129 178.395 176.600 -0.557 0.000 1.049 190 K CA 2.261 58.290 56.287 -0.431 0.000 0.931 190 K CB -0.144 32.173 32.500 -0.305 0.000 0.714 190 K HN 0.716 nan 8.250 nan 0.000 0.440 191 Q N -0.848 118.463 119.800 -0.814 0.000 2.472 191 Q HA 0.010 4.350 4.340 -0.000 0.000 0.208 191 Q C 1.523 177.000 176.000 -0.872 0.000 0.958 191 Q CA 0.931 56.251 55.803 -0.805 0.000 0.932 191 Q CB -0.431 27.641 28.738 -1.110 0.000 1.007 191 Q HN 0.148 nan 8.270 nan 0.000 0.508 192 C N 0.010 118.650 119.300 -1.099 0.000 2.791 192 C HA 0.589 5.049 4.460 -0.000 0.000 0.270 192 C C 1.544 175.781 174.990 -1.255 0.000 1.257 192 C CA 0.244 58.221 59.018 -1.735 0.000 1.699 192 C CB -0.814 25.902 27.740 -1.707 0.000 1.904 192 C HN 0.832 nan 8.230 nan 0.000 0.603 193 G N -0.033 108.362 108.800 -0.675 0.000 2.148 193 G HA2 0.318 4.278 3.960 -0.000 0.000 0.203 193 G HA3 0.318 4.278 3.960 -0.000 0.000 0.203 193 G C 0.424 175.154 174.900 -0.283 0.000 0.993 193 G CA -0.031 44.844 45.100 -0.375 0.000 0.661 193 G HN 1.614 nan 8.290 nan 0.000 0.518 194 G N -2.015 106.594 108.800 -0.318 0.000 2.603 194 G HA2 0.331 4.291 3.960 -0.000 0.000 0.686 194 G HA3 0.331 4.291 3.960 -0.000 0.000 0.686 194 G C 1.019 175.839 174.900 -0.134 0.000 1.286 194 G CA 0.920 45.897 45.100 -0.206 0.000 0.871 194 G HN 1.835 nan 8.290 nan 0.000 0.568 195 T N -2.910 111.597 114.554 -0.079 0.000 2.708 195 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 195 T C 2.347 177.000 174.700 -0.078 0.000 1.037 195 T CA 2.930 65.006 62.100 -0.040 0.000 1.146 195 T CB -0.786 68.040 68.868 -0.071 0.000 0.865 195 T HN 0.952 nan 8.240 nan 0.000 0.435 196 T N 1.291 115.803 114.554 -0.070 0.000 2.746 196 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 196 T C 2.132 176.815 174.700 -0.028 0.000 1.039 196 T CA 1.490 63.581 62.100 -0.015 0.000 1.142 196 T CB -0.320 68.579 68.868 0.052 0.000 0.866 196 T HN 0.303 nan 8.240 nan 0.000 0.444 197 R N 0.935 121.417 120.500 -0.030 0.000 2.081 197 R HA 0.124 4.464 4.340 -0.000 0.000 0.235 197 R C 2.199 178.544 176.300 0.075 0.000 1.131 197 R CA 1.221 57.328 56.100 0.011 0.000 0.960 197 R CB -0.842 29.445 30.300 -0.022 0.000 0.856 197 R HN 0.456 nan 8.270 nan 0.000 0.436 198 I N 0.333 120.918 120.570 0.024 0.000 2.439 198 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 198 I C 1.715 177.937 176.117 0.175 0.000 1.139 198 I CA 1.181 62.550 61.300 0.115 0.000 1.438 198 I CB 0.063 38.093 38.000 0.051 0.000 1.085 198 I HN 0.345 nan 8.210 nan 0.000 0.427 199 I N -2.573 118.071 120.570 0.123 0.000 3.226 199 I HA 0.118 4.288 4.170 -0.000 0.000 0.277 199 I C 0.797 176.921 176.117 0.011 0.000 1.243 199 I CA 0.001 61.355 61.300 0.090 0.000 1.459 199 I CB -0.116 37.907 38.000 0.038 0.000 1.093 199 I HN -0.087 nan 8.210 nan 0.000 0.453 200 S N 1.320 117.009 115.700 -0.018 0.000 2.565 200 S HA 0.268 4.738 4.470 -0.000 0.000 0.274 200 S C 0.926 175.502 174.600 -0.039 0.000 1.309 200 S CA -0.317 57.844 58.200 -0.066 0.000 1.043 200 S CB 1.727 64.865 63.200 -0.102 0.000 0.939 200 S HN 0.295 nan 8.310 nan 0.000 0.504 201 T N 2.291 116.814 114.554 -0.051 0.000 2.764 201 T HA 0.017 4.367 4.350 -0.000 0.000 0.243 201 T C 0.621 175.283 174.700 -0.064 0.000 1.065 201 T CA 0.695 62.759 62.100 -0.060 0.000 1.219 201 T CB -0.348 68.487 68.868 -0.054 0.000 0.918 201 T HN 0.609 nan 8.240 nan 0.000 0.409 202 T N 3.534 118.048 114.554 -0.066 0.000 2.831 202 T HA 0.096 4.446 4.350 -0.000 0.000 0.291 202 T C 0.708 175.370 174.700 -0.063 0.000 0.981 202 T CA 0.397 62.461 62.100 -0.061 0.000 1.174 202 T CB -0.175 68.657 68.868 -0.060 0.000 0.929 202 T HN 0.517 nan 8.240 nan 0.000 0.532 203 N N 0.805 119.475 118.700 -0.051 0.000 2.782 203 N HA -0.146 4.594 4.740 -0.000 0.000 0.251 203 N C 0.142 175.637 175.510 -0.026 0.000 1.101 203 N CA 1.422 54.449 53.050 -0.039 0.000 0.764 203 N CB -1.054 37.411 38.487 -0.036 0.000 1.122 203 N HN 0.952 nan 8.380 nan 0.000 0.561 204 G N -3.141 105.640 108.800 -0.032 0.000 2.975 204 G HA2 0.570 4.530 3.960 -0.000 0.000 0.291 204 G HA3 0.570 4.530 3.960 -0.000 0.000 0.291 204 G C 0.966 175.849 174.900 -0.028 0.000 1.334 204 G CA -0.037 45.067 45.100 0.007 0.000 0.843 204 G HN 0.288 nan 8.290 nan 0.000 0.548 205 G N -0.952 107.868 108.800 0.033 0.000 2.470 205 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.220 205 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.220 205 G C 1.154 176.005 174.900 -0.082 0.000 1.121 205 G CA 0.963 46.001 45.100 -0.105 0.000 0.766 205 G HN 0.405 nan 8.290 nan 0.000 0.553 206 Q N -0.458 119.299 119.800 -0.072 0.000 2.201 206 Q HA 0.269 4.609 4.340 -0.000 0.000 0.217 206 Q C 1.639 177.584 176.000 -0.092 0.000 0.860 206 Q CA -0.114 55.599 55.803 -0.150 0.000 0.984 206 Q CB 0.738 29.294 28.738 -0.304 0.000 1.095 206 Q HN 0.629 nan 8.270 nan 0.000 0.477 207 E N 0.432 120.579 120.200 -0.087 0.000 2.106 207 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 207 E C -0.034 176.502 176.600 -0.105 0.000 0.984 207 E CA 0.735 57.082 56.400 -0.088 0.000 0.806 207 E CB 0.441 30.083 29.700 -0.096 0.000 0.750 207 E HN 0.147 nan 8.360 nan 0.000 0.458 208 R N -0.836 119.577 120.500 -0.144 0.000 2.836 208 R HA 0.468 4.808 4.340 -0.000 0.000 0.269 208 R C -1.061 175.016 176.300 -0.373 0.000 1.010 208 R CA -0.728 55.200 56.100 -0.286 0.000 0.930 208 R CB 2.032 32.141 30.300 -0.318 0.000 1.218 208 R HN -0.177 nan 8.270 nan 0.000 0.473 209 K N 0.573 120.580 120.400 -0.655 0.000 2.444 209 K HA 0.435 4.755 4.320 -0.000 0.000 0.252 209 K C -1.169 175.097 176.600 -0.557 0.000 0.993 209 K CA -0.716 55.191 56.287 -0.632 0.000 0.847 209 K CB 1.614 33.776 32.500 -0.564 0.000 1.340 209 K HN 0.243 nan 8.250 nan 0.000 0.446 210 F N 1.164 121.051 119.950 -0.104 0.000 2.410 210 F HA 0.150 4.677 4.527 -0.000 0.000 0.348 210 F C 0.470 176.339 175.800 0.116 0.000 1.106 210 F CA -0.922 57.070 58.000 -0.012 0.000 1.163 210 F CB 0.992 39.962 39.000 -0.051 0.000 1.129 210 F HN 0.012 nan 8.300 nan 0.000 0.516 211 V N 3.808 123.939 119.914 0.361 0.000 2.493 211 V HA 0.202 4.322 4.120 -0.000 0.000 0.292 211 V C 0.959 176.957 176.094 -0.161 0.000 1.016 211 V CA 1.239 63.666 62.300 0.211 0.000 1.097 211 V CB 0.105 32.027 31.823 0.165 0.000 0.947 211 V HN 1.113 nan 8.190 nan 0.000 0.479 212 G N 3.264 111.564 108.800 -0.833 0.000 2.195 212 G HA2 0.136 4.096 3.960 -0.000 0.000 0.246 212 G HA3 0.136 4.096 3.960 -0.000 0.000 0.246 212 G C 0.798 175.169 174.900 -0.882 0.000 0.984 212 G CA -0.055 44.281 45.100 -1.273 0.000 0.633 212 G HN 2.449 nan 8.290 nan 0.000 0.525 213 G N -1.478 107.098 108.800 -0.372 0.000 2.650 213 G HA2 0.368 4.328 3.960 -0.000 0.000 0.686 213 G HA3 0.368 4.328 3.960 -0.000 0.000 0.686 213 G C 0.817 175.732 174.900 0.025 0.000 1.205 213 G CA 0.849 45.934 45.100 -0.025 0.000 0.781 213 G HN 1.877 nan 8.290 nan 0.000 0.648 214 S N 0.009 115.778 115.700 0.116 0.000 2.453 214 S HA 0.124 4.594 4.470 -0.000 0.000 0.231 214 S C 2.556 177.149 174.600 -0.012 0.000 1.005 214 S CA 1.636 59.901 58.200 0.109 0.000 0.949 214 S CB -0.086 63.238 63.200 0.206 0.000 0.774 214 S HN 2.195 nan 8.310 nan 0.000 0.510 215 G N 1.440 110.244 108.800 0.007 0.000 2.479 215 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 215 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 215 G C 1.442 176.315 174.900 -0.045 0.000 1.115 215 G CA 0.719 45.824 45.100 0.009 0.000 0.757 215 G HN 0.647 nan 8.290 nan 0.000 0.560 216 Q N -0.244 119.494 119.800 -0.103 0.000 2.226 216 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 216 Q C 2.731 178.638 176.000 -0.155 0.000 0.975 216 Q CA 0.875 56.598 55.803 -0.133 0.000 0.866 216 Q CB -0.143 28.491 28.738 -0.173 0.000 0.915 216 Q HN 0.432 nan 8.270 nan 0.000 0.440 217 V N 0.308 120.102 119.914 -0.200 0.000 2.233 217 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 217 V C 2.126 178.158 176.094 -0.103 0.000 1.050 217 V CA 2.184 64.368 62.300 -0.193 0.000 1.010 217 V CB -0.635 31.057 31.823 -0.218 0.000 0.637 217 V HN 0.298 nan 8.190 nan 0.000 0.444 218 S N -0.751 114.913 115.700 -0.059 0.000 2.383 218 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 218 S C 1.918 176.499 174.600 -0.031 0.000 1.026 218 S CA 1.417 59.601 58.200 -0.027 0.000 0.981 218 S CB -0.265 62.942 63.200 0.011 0.000 0.818 218 S HN 0.686 nan 8.310 nan 0.000 0.472 219 E N 0.985 121.165 120.200 -0.033 0.000 2.077 219 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 219 E C 2.320 178.892 176.600 -0.047 0.000 0.989 219 E CA 0.820 57.202 56.400 -0.031 0.000 0.800 219 E CB -0.055 29.627 29.700 -0.030 0.000 0.746 219 E HN 0.348 nan 8.360 nan 0.000 0.452 220 R N 0.164 120.624 120.500 -0.065 0.000 2.148 220 R HA 0.004 4.344 4.340 -0.000 0.000 0.223 220 R C 2.274 178.535 176.300 -0.065 0.000 1.088 220 R CA 0.718 56.778 56.100 -0.068 0.000 0.985 220 R CB -0.091 30.159 30.300 -0.084 0.000 0.880 220 R HN 0.211 nan 8.270 nan 0.000 0.451 221 I N 0.585 121.116 120.570 -0.066 0.000 2.353 221 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 221 I C 2.624 178.696 176.117 -0.076 0.000 1.119 221 I CA 1.040 62.300 61.300 -0.068 0.000 1.417 221 I CB -0.151 37.814 38.000 -0.058 0.000 1.078 221 I HN 0.188 nan 8.210 nan 0.000 0.421 222 M N 0.879 120.443 119.600 -0.060 0.000 2.149 222 M HA -0.251 4.229 4.480 -0.000 0.000 0.261 222 M C 1.646 177.909 176.300 -0.061 0.000 1.064 222 M CA 1.957 57.223 55.300 -0.057 0.000 1.102 222 M CB -0.205 32.374 32.600 -0.036 0.000 1.369 222 M HN 0.147 nan 8.290 nan 0.000 0.408 223 D N 0.719 121.087 120.400 -0.054 0.000 2.123 223 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 223 D C 2.040 178.303 176.300 -0.061 0.000 0.992 223 D CA 1.481 55.451 54.000 -0.049 0.000 0.833 223 D CB -0.511 40.264 40.800 -0.042 0.000 0.954 223 D HN 0.430 nan 8.370 nan 0.000 0.455 224 L N 0.061 121.236 121.223 -0.079 0.000 2.046 224 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 224 L C 2.453 179.211 176.870 -0.186 0.000 1.077 224 L CA 0.699 55.478 54.840 -0.102 0.000 0.747 224 L CB -0.274 41.726 42.059 -0.097 0.000 0.896 224 L HN 0.022 nan 8.230 nan 0.000 0.432 225 L N -1.121 119.976 121.223 -0.210 0.000 2.341 225 L HA 0.099 4.439 4.340 -0.000 0.000 0.214 225 L C 1.776 178.560 176.870 -0.144 0.000 1.115 225 L CA 0.468 55.145 54.840 -0.273 0.000 0.820 225 L CB -0.796 41.132 42.059 -0.219 0.000 0.944 225 L HN 0.447 nan 8.230 nan 0.000 0.452 226 G N 1.804 110.550 108.800 -0.090 0.000 2.629 226 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.313 226 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.313 226 G C 0.770 175.651 174.900 -0.032 0.000 1.217 226 G CA 0.559 45.630 45.100 -0.047 0.000 0.994 226 G HN 0.509 nan 8.290 nan 0.000 0.549 227 D N 1.222 121.614 120.400 -0.014 0.000 2.378 227 D HA -0.044 4.595 4.640 -0.000 0.000 0.222 227 D C 2.159 178.463 176.300 0.006 0.000 0.980 227 D CA 1.126 55.128 54.000 0.003 0.000 0.907 227 D CB -0.313 40.497 40.800 0.016 0.000 0.899 227 D HN 0.641 nan 8.370 nan 0.000 0.527 228 R N 0.059 120.552 120.500 -0.011 0.000 2.189 228 R HA 0.080 4.420 4.340 -0.000 0.000 0.218 228 R C 0.481 176.761 176.300 -0.033 0.000 1.074 228 R CA 0.225 56.319 56.100 -0.011 0.000 0.991 228 R CB 0.279 30.564 30.300 -0.025 0.000 0.883 228 R HN 0.065 nan 8.270 nan 0.000 0.457 229 V N 3.033 122.923 119.914 -0.041 0.000 2.406 229 V HA 0.111 4.231 4.120 -0.000 0.000 0.272 229 V C -0.104 175.967 176.094 -0.038 0.000 1.043 229 V CA -0.359 61.911 62.300 -0.049 0.000 0.915 229 V CB 1.320 33.115 31.823 -0.046 0.000 0.988 229 V HN 0.053 nan 8.190 nan 0.000 0.466 230 K N 6.612 126.976 120.400 -0.059 0.000 2.389 230 K HA 0.531 4.851 4.320 -0.000 0.000 0.261 230 K C -0.702 175.869 176.600 -0.048 0.000 1.014 230 K CA -0.334 55.929 56.287 -0.040 0.000 0.920 230 K CB 1.861 34.330 32.500 -0.053 0.000 1.149 230 K HN 0.495 nan 8.250 nan 0.000 0.444 231 L N 1.657 122.863 121.223 -0.028 0.000 2.418 231 L HA 0.163 4.503 4.340 -0.000 0.000 0.265 231 L C 0.723 177.574 176.870 -0.032 0.000 1.143 231 L CA -0.161 54.659 54.840 -0.033 0.000 0.809 231 L CB 0.213 42.261 42.059 -0.018 0.000 1.124 231 L HN 0.696 nan 8.230 nan 0.000 0.456 232 E N 0.603 120.772 120.200 -0.052 0.000 2.389 232 E HA -0.228 4.122 4.350 -0.000 0.000 0.243 232 E C -0.494 176.082 176.600 -0.040 0.000 1.154 232 E CA 0.276 56.646 56.400 -0.050 0.000 0.723 232 E CB -0.865 28.823 29.700 -0.019 0.000 1.261 232 E HN 0.383 nan 8.360 nan 0.000 0.390 233 R N 0.207 120.667 120.500 -0.067 0.000 2.724 233 R HA 0.247 4.587 4.340 -0.000 0.000 0.284 233 R C -2.718 173.529 176.300 -0.089 0.000 1.481 233 R CA -1.959 54.116 56.100 -0.043 0.000 1.652 233 R CB 0.630 30.905 30.300 -0.042 0.000 1.175 233 R HN -0.017 nan 8.270 nan 0.000 0.613 234 P HA 0.018 nan 4.420 nan 0.000 0.271 234 P C -0.294 176.996 177.300 -0.016 0.000 1.226 234 P CA -0.174 62.848 63.100 -0.130 0.000 0.765 234 P CB 0.932 32.572 31.700 -0.101 0.000 0.835 235 V N 5.629 125.534 119.914 -0.015 0.000 2.555 235 V HA 0.046 4.166 4.120 -0.000 0.000 0.286 235 V C 1.717 177.843 176.094 0.053 0.000 1.044 235 V CA 0.465 62.775 62.300 0.017 0.000 1.026 235 V CB 0.282 32.099 31.823 -0.011 0.000 0.981 235 V HN 0.538 nan 8.190 nan 0.000 0.480 236 I N 1.896 122.511 120.570 0.074 0.000 4.323 236 I HA 0.445 4.615 4.170 -0.000 0.000 0.328 236 I C -0.009 176.199 176.117 0.153 0.000 1.310 236 I CA 0.105 61.474 61.300 0.115 0.000 1.186 236 I CB 0.615 38.669 38.000 0.089 0.000 1.130 236 I HN 0.497 nan 8.210 nan 0.000 0.411 237 Y N 1.912 122.159 120.300 -0.089 0.000 2.390 237 Y HA 0.673 5.223 4.550 -0.000 0.000 0.324 237 Y C -1.872 173.944 175.900 -0.140 0.000 1.151 237 Y CA -1.526 56.499 58.100 -0.125 0.000 1.053 237 Y CB 1.609 40.019 38.460 -0.084 0.000 1.277 237 Y HN -0.016 nan 8.280 nan 0.000 0.432 238 I N 5.813 125.962 120.570 -0.703 0.000 2.447 238 I HA 0.296 4.466 4.170 -0.000 0.000 0.287 238 I C -1.321 174.406 176.117 -0.650 0.000 1.023 238 I CA -0.696 60.281 61.300 -0.538 0.000 1.083 238 I CB 1.790 39.621 38.000 -0.282 0.000 1.245 238 I HN 0.519 nan 8.210 nan 0.000 0.434 239 D N 6.063 126.145 120.400 -0.530 0.000 2.425 239 D HA 0.274 4.914 4.640 -0.000 0.000 0.240 239 D C -0.223 176.004 176.300 -0.122 0.000 1.080 239 D CA -0.179 53.612 54.000 -0.348 0.000 0.836 239 D CB 1.583 42.227 40.800 -0.261 0.000 1.125 239 D HN 0.498 nan 8.370 nan 0.000 0.525 240 Q N 1.784 121.551 119.800 -0.055 0.000 2.172 240 Q HA 0.078 4.418 4.340 -0.000 0.000 0.217 240 Q C 1.143 177.139 176.000 -0.007 0.000 0.832 240 Q CA 0.002 55.794 55.803 -0.020 0.000 1.010 240 Q CB 0.841 29.583 28.738 0.006 0.000 1.133 240 Q HN 0.571 nan 8.270 nan 0.000 0.489 241 T N -2.639 111.915 114.554 0.000 0.000 3.067 241 T HA 0.110 4.460 4.350 -0.000 0.000 0.261 241 T C 1.018 175.721 174.700 0.006 0.000 1.110 241 T CA 0.259 62.366 62.100 0.012 0.000 1.113 241 T CB 0.337 69.222 68.868 0.028 0.000 0.917 241 T HN 0.033 nan 8.240 nan 0.000 0.499 242 R N 0.352 120.851 120.500 -0.002 0.000 2.719 242 R HA 0.457 4.797 4.340 -0.000 0.000 0.233 242 R C 1.658 177.946 176.300 -0.019 0.000 1.257 242 R CA -0.645 55.452 56.100 -0.006 0.000 1.109 242 R CB 0.602 30.901 30.300 -0.001 0.000 1.447 242 R HN 0.118 nan 8.270 nan 0.000 0.537 243 E N 0.556 120.743 120.200 -0.022 0.000 2.058 243 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 243 E C -0.356 176.210 176.600 -0.056 0.000 0.997 243 E CA 1.188 57.568 56.400 -0.034 0.000 0.801 243 E CB 0.166 29.850 29.700 -0.027 0.000 0.746 243 E HN 0.301 nan 8.360 nan 0.000 0.450 244 N N 0.206 118.878 118.700 -0.048 0.000 2.417 244 N HA 0.178 4.917 4.740 -0.000 0.000 0.300 244 N C -0.897 174.584 175.510 -0.049 0.000 1.102 244 N CA -0.386 52.627 53.050 -0.061 0.000 0.886 244 N CB 2.081 40.544 38.487 -0.041 0.000 1.203 244 N HN -0.158 nan 8.380 nan 0.000 0.496 245 V N 2.066 121.944 119.914 -0.059 0.000 2.572 245 V HA 0.167 4.286 4.120 -0.000 0.000 0.291 245 V C 0.498 176.581 176.094 -0.018 0.000 1.039 245 V CA -0.279 61.996 62.300 -0.041 0.000 1.055 245 V CB 0.179 31.981 31.823 -0.035 0.000 0.969 245 V HN 0.377 nan 8.190 nan 0.000 0.482 246 L N 5.561 126.768 121.223 -0.027 0.000 2.296 246 L HA 0.563 4.903 4.340 -0.000 0.000 0.286 246 L C -0.570 176.290 176.870 -0.017 0.000 1.023 246 L CA -0.481 54.360 54.840 0.001 0.000 0.812 246 L CB 1.800 43.871 42.059 0.020 0.000 1.223 246 L HN 0.385 nan 8.230 nan 0.000 0.421 247 V N 2.913 122.861 119.914 0.057 0.000 2.378 247 V HA 0.344 4.464 4.120 -0.000 0.000 0.288 247 V C -0.194 175.996 176.094 0.159 0.000 1.016 247 V CA -0.645 61.693 62.300 0.064 0.000 0.840 247 V CB 1.650 33.508 31.823 0.059 0.000 0.994 247 V HN 0.718 nan 8.190 nan 0.000 0.431 248 E N 3.017 123.309 120.200 0.153 0.000 2.191 248 E HA 0.646 4.996 4.350 -0.000 0.000 0.274 248 E C -0.202 176.486 176.600 0.147 0.000 0.948 248 E CA -0.462 56.045 56.400 0.178 0.000 0.802 248 E CB 1.733 31.553 29.700 0.201 0.000 1.137 248 E HN 0.837 nan 8.360 nan 0.000 0.397 249 T N 1.036 115.684 114.554 0.156 0.000 2.952 249 T HA 0.200 4.550 4.350 -0.000 0.000 0.286 249 T C 0.930 175.700 174.700 0.117 0.000 1.024 249 T CA -0.856 61.319 62.100 0.125 0.000 1.029 249 T CB 1.115 70.073 68.868 0.150 0.000 1.094 249 T HN 0.436 nan 8.240 nan 0.000 0.515 250 L N 1.600 122.886 121.223 0.104 0.000 2.131 250 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 250 L C 1.843 178.819 176.870 0.177 0.000 1.092 250 L CA 2.077 56.991 54.840 0.122 0.000 0.759 250 L CB -1.184 40.934 42.059 0.098 0.000 0.903 250 L HN 0.936 nan 8.230 nan 0.000 0.435 251 N N -2.756 116.026 118.700 0.136 0.000 2.421 251 N HA -0.071 4.669 4.740 -0.000 0.000 0.201 251 N C 0.364 175.986 175.510 0.187 0.000 1.198 251 N CA 0.403 53.515 53.050 0.103 0.000 0.838 251 N CB -0.382 38.137 38.487 0.054 0.000 1.011 251 N HN 0.511 nan 8.380 nan 0.000 0.463 252 H N -2.571 116.513 119.070 0.023 0.000 3.636 252 H HA -0.152 4.404 4.556 -0.000 0.000 0.179 252 H C -0.746 174.585 175.328 0.005 0.000 0.968 252 H CA 0.480 56.532 56.048 0.007 0.000 1.220 252 H CB -1.158 28.599 29.762 -0.009 0.000 1.023 252 H HN 0.564 nan 8.280 nan 0.000 0.366 253 E N 0.801 121.079 120.200 0.130 0.000 2.366 253 E HA 0.323 4.673 4.350 -0.000 0.000 0.266 253 E C 0.026 176.630 176.600 0.007 0.000 1.051 253 E CA -0.175 56.242 56.400 0.029 0.000 0.884 253 E CB 0.974 30.718 29.700 0.074 0.000 1.006 253 E HN 0.052 nan 8.360 nan 0.000 0.417 254 M N 2.957 122.458 119.600 -0.166 0.000 2.311 254 M HA 0.337 4.817 4.480 -0.000 0.000 0.325 254 M C -2.007 174.103 176.300 -0.316 0.000 1.061 254 M CA -0.416 54.824 55.300 -0.101 0.000 0.957 254 M CB 0.923 33.488 32.600 -0.057 0.000 1.646 254 M HN 0.361 nan 8.290 nan 0.000 0.434 255 Y N 1.768 122.076 120.300 0.014 0.000 2.409 255 Y HA 0.565 5.115 4.550 -0.000 0.000 0.343 255 Y C -0.402 175.499 175.900 0.002 0.000 0.973 255 Y CA -0.674 57.431 58.100 0.008 0.000 1.064 255 Y CB 1.761 40.225 38.460 0.008 0.000 1.207 255 Y HN 0.581 nan 8.280 nan 0.000 0.452 256 E N 1.839 122.109 120.200 0.117 0.000 2.171 256 E HA 0.832 5.182 4.350 -0.000 0.000 0.271 256 E C -1.334 175.303 176.600 0.061 0.000 0.916 256 E CA -0.678 55.758 56.400 0.060 0.000 0.774 256 E CB 1.306 31.018 29.700 0.020 0.000 1.128 256 E HN 0.759 nan 8.360 nan 0.000 0.403 257 A N 3.338 126.177 122.820 0.031 0.000 2.594 257 A HA 0.365 4.685 4.320 -0.000 0.000 0.291 257 A C -0.020 177.534 177.584 -0.050 0.000 1.105 257 A CA -0.645 51.404 52.037 0.019 0.000 0.694 257 A CB 1.466 20.495 19.000 0.049 0.000 1.291 257 A HN 0.667 nan 8.150 nan 0.000 0.410 258 K N -0.755 119.596 120.400 -0.082 0.000 2.116 258 K HA 0.105 4.425 4.320 -0.000 0.000 0.203 258 K C -0.679 175.567 176.600 -0.590 0.000 1.052 258 K CA 1.454 57.555 56.287 -0.310 0.000 0.952 258 K CB -0.051 32.300 32.500 -0.248 0.000 0.729 258 K HN 0.614 nan 8.250 nan 0.000 0.446 259 Y N -1.241 119.080 120.300 0.034 0.000 2.615 259 Y HA 0.400 4.950 4.550 -0.000 0.000 0.341 259 Y C -0.658 175.266 175.900 0.041 0.000 1.089 259 Y CA -1.306 56.830 58.100 0.060 0.000 1.049 259 Y CB 1.865 40.354 38.460 0.048 0.000 1.296 259 Y HN -0.427 nan 8.280 nan 0.000 0.470 260 V N 3.022 123.076 119.914 0.234 0.000 2.656 260 V HA 0.476 4.596 4.120 -0.000 0.000 0.307 260 V C -0.675 175.469 176.094 0.084 0.000 1.051 260 V CA -0.857 61.507 62.300 0.107 0.000 0.893 260 V CB 2.136 33.988 31.823 0.049 0.000 0.999 260 V HN 0.544 nan 8.190 nan 0.000 0.426 261 I N 2.790 123.380 120.570 0.032 0.000 2.354 261 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 261 I C 0.306 176.412 176.117 -0.019 0.000 0.989 261 I CA -0.141 61.158 61.300 -0.003 0.000 1.188 261 I CB 1.893 39.899 38.000 0.010 0.000 1.342 261 I HN 0.598 nan 8.210 nan 0.000 0.457 262 S N 5.485 121.140 115.700 -0.074 0.000 2.399 262 S HA 0.514 4.984 4.470 -0.000 0.000 0.301 262 S C 0.388 175.070 174.600 0.136 0.000 1.093 262 S CA -0.491 57.738 58.200 0.049 0.000 1.077 262 S CB 0.457 63.721 63.200 0.105 0.000 0.980 262 S HN 0.706 nan 8.310 nan 0.000 0.494 263 A N 6.066 128.955 122.820 0.115 0.000 2.965 263 A HA 0.484 4.804 4.320 -0.000 0.000 0.304 263 A C 0.275 177.939 177.584 0.134 0.000 1.214 263 A CA -0.699 51.413 52.037 0.124 0.000 0.977 263 A CB -0.582 18.467 19.000 0.082 0.000 1.127 263 A HN 0.906 nan 8.150 nan 0.000 0.572 264 I N -4.029 116.639 120.570 0.164 0.000 2.797 264 I HA 0.682 4.852 4.170 -0.000 0.000 0.307 264 I C -2.929 173.286 176.117 0.164 0.000 1.033 264 I CA -3.149 58.246 61.300 0.157 0.000 1.071 264 I CB 1.603 39.698 38.000 0.158 0.000 1.255 264 I HN -0.148 nan 8.210 nan 0.000 0.445 265 P HA 0.114 nan 4.420 nan 0.000 0.263 265 P C -2.172 175.182 177.300 0.090 0.000 1.175 265 P CA -0.582 62.587 63.100 0.115 0.000 0.761 265 P CB -0.036 31.718 31.700 0.090 0.000 0.794 266 P HA -0.225 nan 4.420 nan 0.000 0.216 266 P C 1.618 178.900 177.300 -0.030 0.000 1.157 266 P CA 1.877 64.979 63.100 0.003 0.000 0.880 266 P CB -0.257 31.410 31.700 -0.055 0.000 0.791 267 T N -1.378 113.133 114.554 -0.071 0.000 2.915 267 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 267 T C 1.511 176.201 174.700 -0.016 0.000 1.071 267 T CA 0.739 62.788 62.100 -0.086 0.000 1.132 267 T CB -0.804 67.977 68.868 -0.145 0.000 0.878 267 T HN -0.036 nan 8.240 nan 0.000 0.479 268 L N 0.340 121.584 121.223 0.035 0.000 2.465 268 L HA 0.139 4.479 4.340 -0.000 0.000 0.224 268 L C 2.809 179.755 176.870 0.126 0.000 1.145 268 L CA 0.701 55.590 54.840 0.083 0.000 0.834 268 L CB -0.721 41.413 42.059 0.125 0.000 0.944 268 L HN 0.343 nan 8.230 nan 0.000 0.451 269 G N -0.099 108.786 108.800 0.142 0.000 2.479 269 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 269 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 269 G C 1.600 176.640 174.900 0.233 0.000 1.115 269 G CA 0.259 45.502 45.100 0.238 0.000 0.757 269 G HN 0.153 nan 8.290 nan 0.000 0.560 270 M N 0.333 119.997 119.600 0.106 0.000 2.358 270 M HA 0.010 4.490 4.480 -0.000 0.000 0.264 270 M C 2.094 178.411 176.300 0.027 0.000 1.064 270 M CA 0.979 56.311 55.300 0.052 0.000 1.093 270 M CB -0.484 32.109 32.600 -0.012 0.000 1.401 270 M HN 0.233 nan 8.290 nan 0.000 0.440 271 K N 0.080 120.520 120.400 0.067 0.000 2.486 271 K HA 0.141 4.461 4.320 -0.000 0.000 0.194 271 K C 0.374 177.029 176.600 0.092 0.000 1.033 271 K CA 0.434 56.770 56.287 0.082 0.000 1.004 271 K CB 0.145 32.728 32.500 0.139 0.000 0.798 271 K HN 0.322 nan 8.250 nan 0.000 0.495 272 I N 1.303 121.890 120.570 0.029 0.000 2.377 272 I HA 0.120 4.290 4.170 -0.000 0.000 0.293 272 I C 0.143 176.122 176.117 -0.231 0.000 0.987 272 I CA -0.727 60.498 61.300 -0.124 0.000 1.185 272 I CB 1.269 39.046 38.000 -0.373 0.000 1.341 272 I HN 0.043 nan 8.210 nan 0.000 0.455 273 H N 6.122 125.090 119.070 -0.170 0.000 2.527 273 H HA 0.340 4.895 4.556 -0.000 0.000 0.321 273 H C -1.089 174.132 175.328 -0.179 0.000 1.087 273 H CA -0.195 55.847 56.048 -0.010 0.000 1.337 273 H CB 1.124 30.970 29.762 0.141 0.000 1.440 273 H HN 0.328 nan 8.280 nan 0.000 0.490 274 F N 1.894 121.941 119.950 0.160 0.000 2.469 274 F HA 0.174 4.701 4.527 -0.000 0.000 0.332 274 F C 0.563 176.396 175.800 0.054 0.000 1.103 274 F CA -0.735 57.289 58.000 0.039 0.000 0.979 274 F CB 1.415 40.429 39.000 0.023 0.000 1.137 274 F HN 0.475 nan 8.300 nan 0.000 0.463 275 N N 4.262 123.036 118.700 0.124 0.000 2.480 275 N HA 0.417 5.157 4.740 -0.000 0.000 0.289 275 N C -3.051 172.498 175.510 0.065 0.000 1.073 275 N CA -2.329 50.789 53.050 0.112 0.000 0.885 275 N CB 2.187 40.760 38.487 0.143 0.000 1.421 275 N HN 0.066 nan 8.380 nan 0.000 0.503 276 P HA 0.305 nan 4.420 nan 0.000 0.273 276 P C -2.639 174.731 177.300 0.117 0.000 1.250 276 P CA -0.970 62.183 63.100 0.088 0.000 0.793 276 P CB -0.386 31.347 31.700 0.054 0.000 1.011 277 P HA 0.074 nan 4.420 nan 0.000 0.268 277 P C 0.106 177.418 177.300 0.020 0.000 1.208 277 P CA 0.275 63.434 63.100 0.097 0.000 0.777 277 P CB 0.170 31.909 31.700 0.066 0.000 0.875 278 L N 3.468 124.656 121.223 -0.058 0.000 2.483 278 L HA 0.118 4.458 4.340 -0.000 0.000 0.275 278 L C -1.633 175.182 176.870 -0.091 0.000 1.220 278 L CA -1.538 53.199 54.840 -0.171 0.000 0.833 278 L CB -0.689 41.184 42.059 -0.309 0.000 1.102 278 L HN 0.302 nan 8.230 nan 0.000 0.490 279 P HA -0.066 nan 4.420 nan 0.000 0.267 279 P C 0.644 177.911 177.300 -0.055 0.000 1.200 279 P CA -0.147 62.918 63.100 -0.058 0.000 0.772 279 P CB 0.461 32.125 31.700 -0.059 0.000 0.855 280 M N 2.111 121.692 119.600 -0.033 0.000 2.089 280 M HA -0.234 4.246 4.480 -0.000 0.000 0.257 280 M C 1.170 177.475 176.300 0.008 0.000 1.071 280 M CA 2.336 57.627 55.300 -0.015 0.000 1.096 280 M CB -0.407 32.188 32.600 -0.009 0.000 1.330 280 M HN 0.149 nan 8.290 nan 0.000 0.403 281 M N -0.128 119.474 119.600 0.002 0.000 2.086 281 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 281 M C 2.339 178.678 176.300 0.066 0.000 1.067 281 M CA 1.880 57.219 55.300 0.065 0.000 1.116 281 M CB -1.489 31.095 32.600 -0.027 0.000 1.348 281 M HN 0.445 nan 8.290 nan 0.000 0.407 282 R N 0.235 120.702 120.500 -0.055 0.000 2.092 282 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 282 R C 2.009 178.220 176.300 -0.147 0.000 1.119 282 R CA 1.669 57.686 56.100 -0.138 0.000 0.970 282 R CB -0.218 29.949 30.300 -0.222 0.000 0.864 282 R HN 0.336 nan 8.270 nan 0.000 0.440 283 N N 0.444 119.076 118.700 -0.114 0.000 2.094 283 N HA -0.225 4.515 4.740 -0.000 0.000 0.191 283 N C 1.569 177.013 175.510 -0.111 0.000 1.023 283 N CA 1.908 54.897 53.050 -0.100 0.000 0.857 283 N CB 0.036 38.487 38.487 -0.060 0.000 1.013 283 N HN 0.358 nan 8.380 nan 0.000 0.426 284 Q N -1.095 118.645 119.800 -0.100 0.000 2.163 284 Q HA -0.040 4.300 4.340 -0.000 0.000 0.198 284 Q C 1.969 177.707 176.000 -0.435 0.000 0.954 284 Q CA 0.574 56.262 55.803 -0.191 0.000 0.851 284 Q CB -0.114 28.584 28.738 -0.067 0.000 0.928 284 Q HN 0.487 nan 8.270 nan 0.000 0.459 285 M N 1.702 121.039 119.600 -0.438 0.000 2.106 285 M HA -0.173 4.307 4.480 -0.000 0.000 0.259 285 M C 2.007 178.061 176.300 -0.409 0.000 1.068 285 M CA 1.690 56.667 55.300 -0.539 0.000 1.100 285 M CB -0.487 31.979 32.600 -0.223 0.000 1.351 285 M HN 0.307 nan 8.290 nan 0.000 0.404 286 I N -1.555 118.844 120.570 -0.285 0.000 3.334 286 I HA -0.069 4.101 4.170 -0.000 0.000 0.282 286 I C 1.431 177.414 176.117 -0.223 0.000 1.313 286 I CA 1.361 62.525 61.300 -0.228 0.000 1.396 286 I CB -0.990 36.923 38.000 -0.145 0.000 1.054 286 I HN 0.319 nan 8.210 nan 0.000 0.495 287 T N -2.520 111.879 114.554 -0.257 0.000 3.069 287 T HA 0.292 4.642 4.350 -0.000 0.000 0.252 287 T C 1.446 175.972 174.700 -0.289 0.000 1.053 287 T CA -0.237 61.724 62.100 -0.232 0.000 0.964 287 T CB -0.034 68.722 68.868 -0.186 0.000 1.005 287 T HN 0.418 nan 8.240 nan 0.000 0.532 288 R N 0.926 121.193 120.500 -0.389 0.000 2.508 288 R HA 0.322 4.662 4.340 -0.000 0.000 0.300 288 R C -0.130 175.842 176.300 -0.547 0.000 0.970 288 R CA -0.008 55.832 56.100 -0.433 0.000 1.102 288 R CB 1.347 31.337 30.300 -0.516 0.000 1.246 288 R HN 0.427 nan 8.270 nan 0.000 0.539 289 V N -0.622 118.949 119.914 -0.572 0.000 2.383 289 V HA 0.466 4.586 4.120 -0.000 0.000 0.261 289 V C -2.663 173.062 176.094 -0.616 0.000 0.987 289 V CA -2.357 59.487 62.300 -0.760 0.000 0.853 289 V CB 0.652 31.992 31.823 -0.806 0.000 1.095 289 V HN -0.110 nan 8.190 nan 0.000 0.461 290 P HA 0.500 nan 4.420 nan 0.000 0.276 290 P C -0.623 176.350 177.300 -0.544 0.000 1.252 290 P CA -0.362 62.397 63.100 -0.568 0.000 0.802 290 P CB 1.833 33.181 31.700 -0.587 0.000 1.035 291 L N 0.257 121.339 121.223 -0.236 0.000 2.352 291 L HA 0.572 4.912 4.340 -0.000 0.000 0.269 291 L C 1.488 178.405 176.870 0.079 0.000 1.034 291 L CA -0.143 54.658 54.840 -0.064 0.000 0.806 291 L CB 0.500 42.556 42.059 -0.006 0.000 1.244 291 L HN 0.476 nan 8.230 nan 0.000 0.447 292 G N -0.032 108.843 108.800 0.125 0.000 2.611 292 G HA2 0.400 4.360 3.960 -0.000 0.000 0.273 292 G HA3 0.400 4.360 3.960 -0.000 0.000 0.273 292 G C -0.768 174.138 174.900 0.010 0.000 1.305 292 G CA -0.371 44.770 45.100 0.069 0.000 1.010 292 G HN 0.498 nan 8.290 nan 0.000 0.509 293 S N -1.333 114.345 115.700 -0.037 0.000 2.605 293 S HA 0.579 5.049 4.470 -0.000 0.000 0.308 293 S C -1.013 173.580 174.600 -0.011 0.000 1.113 293 S CA -0.497 57.709 58.200 0.009 0.000 1.049 293 S CB 1.634 64.847 63.200 0.022 0.000 1.001 293 S HN 0.807 nan 8.310 nan 0.000 0.480 294 V N 4.902 124.863 119.914 0.079 0.000 3.000 294 V HA 0.575 4.695 4.120 -0.000 0.000 0.300 294 V C -1.934 174.333 176.094 0.287 0.000 1.251 294 V CA -0.757 61.630 62.300 0.145 0.000 0.972 294 V CB 1.802 33.667 31.823 0.070 0.000 1.065 294 V HN 0.872 nan 8.190 nan 0.000 0.431 295 I N 5.334 126.081 120.570 0.294 0.000 2.362 295 I HA 0.512 4.682 4.170 -0.000 0.000 0.289 295 I C -0.164 176.197 176.117 0.408 0.000 0.994 295 I CA -0.573 60.915 61.300 0.314 0.000 1.158 295 I CB 1.677 39.800 38.000 0.204 0.000 1.315 295 I HN 0.512 nan 8.210 nan 0.000 0.451 296 K N 5.925 126.599 120.400 0.456 0.000 2.227 296 K HA 0.565 4.885 4.320 -0.000 0.000 0.280 296 K C -1.423 175.294 176.600 0.195 0.000 1.041 296 K CA -0.315 56.200 56.287 0.380 0.000 0.905 296 K CB 0.849 33.638 32.500 0.482 0.000 1.068 296 K HN 0.694 nan 8.250 nan 0.000 0.470 297 C N 5.371 124.746 119.300 0.124 0.000 2.441 297 C HA 0.571 5.031 4.460 -0.000 0.000 0.318 297 C C -0.828 174.224 174.990 0.103 0.000 1.222 297 C CA -1.099 58.000 59.018 0.135 0.000 1.474 297 C CB 0.049 27.974 27.740 0.308 0.000 2.125 297 C HN 0.729 nan 8.230 nan 0.000 0.479 298 I N 3.018 123.620 120.570 0.054 0.000 2.439 298 I HA 0.433 4.603 4.170 -0.000 0.000 0.285 298 I C -0.288 175.868 176.117 0.065 0.000 1.021 298 I CA -0.149 61.138 61.300 -0.023 0.000 1.091 298 I CB 1.461 39.393 38.000 -0.113 0.000 1.242 298 I HN 0.354 nan 8.210 nan 0.000 0.439 299 V N 6.701 126.640 119.914 0.042 0.000 2.394 299 V HA 0.391 4.511 4.120 -0.000 0.000 0.282 299 V C -0.638 175.307 176.094 -0.247 0.000 1.031 299 V CA -0.694 61.644 62.300 0.063 0.000 0.881 299 V CB 0.894 32.802 31.823 0.142 0.000 0.982 299 V HN 0.410 nan 8.190 nan 0.000 0.451 300 Y N 4.045 124.299 120.300 -0.076 0.000 2.387 300 Y HA 0.673 5.223 4.550 -0.000 0.000 0.330 300 Y C -0.273 175.481 175.900 -0.244 0.000 1.133 300 Y CA -0.384 57.715 58.100 -0.002 0.000 1.152 300 Y CB 1.418 39.973 38.460 0.158 0.000 1.215 300 Y HN 0.532 nan 8.280 nan 0.000 0.466 301 Y N -0.137 120.419 120.300 0.426 0.000 2.605 301 Y HA 0.282 4.832 4.550 -0.000 0.000 0.343 301 Y C 1.105 177.154 175.900 0.248 0.000 1.036 301 Y CA -1.427 56.892 58.100 0.364 0.000 1.065 301 Y CB 1.879 40.654 38.460 0.525 0.000 1.288 301 Y HN 0.504 nan 8.280 nan 0.000 0.481 302 K N 0.406 121.022 120.400 0.360 0.000 2.063 302 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 302 K C -0.514 176.161 176.600 0.126 0.000 1.048 302 K CA 1.735 58.131 56.287 0.181 0.000 0.928 302 K CB 0.189 32.767 32.500 0.130 0.000 0.713 302 K HN 0.721 nan 8.250 nan 0.000 0.442 303 E N -0.786 119.507 120.200 0.156 0.000 2.408 303 E HA 0.204 4.554 4.350 -0.000 0.000 0.275 303 E C -2.671 173.816 176.600 -0.188 0.000 0.935 303 E CA -2.295 54.103 56.400 -0.003 0.000 0.775 303 E CB 2.251 31.938 29.700 -0.023 0.000 1.277 303 E HN -0.029 nan 8.360 nan 0.000 0.455 304 P HA 0.046 nan 4.420 nan 0.000 0.230 304 P C 0.307 176.676 177.300 -1.552 0.000 1.791 304 P CA -0.048 62.120 63.100 -1.553 0.000 1.020 304 P CB -0.943 30.142 31.700 -1.025 0.000 1.977 305 F N 0.065 119.463 119.950 -0.921 0.000 2.269 305 F HA -0.107 4.420 4.527 -0.000 0.000 0.301 305 F C 1.735 177.372 175.800 -0.272 0.000 1.082 305 F CA -0.028 57.722 58.000 -0.416 0.000 1.360 305 F CB -1.737 37.150 39.000 -0.189 0.000 1.041 305 F HN 0.131 nan 8.300 nan 0.000 0.512 306 W N 1.308 122.251 121.300 -0.595 0.000 2.374 306 W HA 0.036 4.696 4.660 0.000 0.000 0.288 306 W C 2.022 178.474 176.519 -0.113 0.000 1.218 306 W CA 0.846 58.041 57.345 -0.249 0.000 1.245 306 W CB -1.116 28.137 29.460 -0.345 0.000 1.126 306 W HN -0.138 nan 8.180 nan 0.000 0.545 307 R N 1.254 121.517 120.500 -0.395 0.000 2.120 307 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 307 R C 2.024 178.230 176.300 -0.156 0.000 1.123 307 R CA 1.693 57.666 56.100 -0.211 0.000 0.975 307 R CB -0.421 29.695 30.300 -0.307 0.000 0.866 307 R HN 0.304 nan 8.270 nan 0.000 0.446 308 K N 0.681 120.985 120.400 -0.160 0.000 2.283 308 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 308 K C 1.290 177.816 176.600 -0.124 0.000 1.048 308 K CA 0.951 57.172 56.287 -0.110 0.000 0.948 308 K CB 0.087 32.545 32.500 -0.070 0.000 0.742 308 K HN 0.142 nan 8.250 nan 0.000 0.458 309 K N 0.927 121.222 120.400 -0.174 0.000 2.410 309 K HA -0.017 4.303 4.320 -0.000 0.000 0.200 309 K C -0.501 175.761 176.600 -0.563 0.000 1.023 309 K CA 0.071 56.145 56.287 -0.355 0.000 1.149 309 K CB 0.310 32.562 32.500 -0.413 0.000 0.859 309 K HN 0.008 nan 8.250 nan 0.000 0.514 310 D N 0.392 120.611 120.400 -0.302 0.000 2.800 310 D HA -0.213 4.427 4.640 -0.000 0.000 0.232 310 D C -1.369 174.859 176.300 -0.120 0.000 1.137 310 D CA 0.909 54.795 54.000 -0.190 0.000 0.718 310 D CB -1.459 39.252 40.800 -0.148 0.000 1.084 310 D HN 0.353 nan 8.370 nan 0.000 0.432 311 Y N -0.888 119.442 120.300 0.050 0.000 2.377 311 Y HA 0.321 4.871 4.550 -0.000 0.000 0.339 311 Y C 2.024 177.995 175.900 0.118 0.000 1.011 311 Y CA -0.950 57.182 58.100 0.052 0.000 1.093 311 Y CB 1.295 39.796 38.460 0.068 0.000 1.201 311 Y HN 0.252 nan 8.280 nan 0.000 0.455 312 C N -1.025 118.393 119.300 0.196 0.000 2.514 312 C HA 0.443 4.903 4.460 -0.000 0.000 0.271 312 C C 1.720 176.777 174.990 0.111 0.000 1.399 312 C CA 0.522 59.631 59.018 0.151 0.000 1.765 312 C CB -0.930 26.824 27.740 0.024 0.000 1.893 312 C HN 1.230 nan 8.230 nan 0.000 0.531 313 G N -0.175 108.537 108.800 -0.146 0.000 2.218 313 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 313 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 313 G C 0.042 174.621 174.900 -0.535 0.000 0.994 313 G CA 0.191 44.895 45.100 -0.660 0.000 0.637 313 G HN 0.567 nan 8.290 nan 0.000 0.505 314 T N 2.323 116.659 114.554 -0.363 0.000 2.779 314 T HA 0.620 4.970 4.350 -0.000 0.000 0.296 314 T C 0.297 174.787 174.700 -0.350 0.000 0.938 314 T CA 0.600 62.461 62.100 -0.398 0.000 1.119 314 T CB 0.776 69.469 68.868 -0.292 0.000 0.891 314 T HN 0.301 nan 8.240 nan 0.000 0.526 315 M N 4.038 123.407 119.600 -0.385 0.000 2.263 315 M HA 0.480 4.960 4.480 -0.000 0.000 0.295 315 M C -0.879 175.398 176.300 -0.039 0.000 1.028 315 M CA -0.570 54.623 55.300 -0.178 0.000 0.921 315 M CB 2.239 34.718 32.600 -0.202 0.000 1.601 315 M HN 0.409 nan 8.290 nan 0.000 0.440 316 I N 4.713 125.414 120.570 0.219 0.000 2.330 316 I HA 0.407 4.577 4.170 -0.000 0.000 0.286 316 I C -0.777 175.605 176.117 0.442 0.000 1.025 316 I CA -0.250 61.289 61.300 0.398 0.000 1.197 316 I CB 0.736 38.994 38.000 0.431 0.000 1.358 316 I HN 0.601 nan 8.210 nan 0.000 0.467 317 I N 5.625 126.410 120.570 0.359 0.000 2.359 317 I HA 0.261 4.431 4.170 -0.000 0.000 0.284 317 I C -0.340 175.963 176.117 0.309 0.000 1.018 317 I CA -0.713 60.784 61.300 0.328 0.000 1.173 317 I CB 0.816 38.945 38.000 0.216 0.000 1.326 317 I HN 0.415 nan 8.210 nan 0.000 0.462 318 D N 4.853 125.442 120.400 0.316 0.000 2.357 318 D HA 0.534 5.174 4.640 -0.000 0.000 0.242 318 D C 0.528 176.947 176.300 0.198 0.000 1.153 318 D CA 0.624 54.768 54.000 0.241 0.000 0.918 318 D CB 1.294 42.204 40.800 0.183 0.000 1.181 318 D HN 0.833 nan 8.370 nan 0.000 0.435 319 G N 0.627 109.520 108.800 0.156 0.000 2.674 319 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 319 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 319 G C 0.433 175.409 174.900 0.127 0.000 1.195 319 G CA -0.100 45.078 45.100 0.130 0.000 0.776 319 G HN 0.388 nan 8.290 nan 0.000 0.654 320 E N 0.312 120.580 120.200 0.114 0.000 2.152 320 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 320 E C 2.154 178.818 176.600 0.106 0.000 0.983 320 E CA 2.264 58.741 56.400 0.129 0.000 0.818 320 E CB -0.006 29.764 29.700 0.117 0.000 0.758 320 E HN 0.649 nan 8.360 nan 0.000 0.467 321 E N 0.529 120.782 120.200 0.089 0.000 2.150 321 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 321 E C 0.418 177.052 176.600 0.056 0.000 0.985 321 E CA 0.950 57.391 56.400 0.068 0.000 0.814 321 E CB -0.350 29.389 29.700 0.065 0.000 0.752 321 E HN 0.283 nan 8.360 nan 0.000 0.466 322 A N 2.437 125.301 122.820 0.073 0.000 2.451 322 A HA 0.173 4.493 4.320 -0.000 0.000 0.266 322 A C -1.427 176.186 177.584 0.049 0.000 1.119 322 A CA -1.157 50.916 52.037 0.061 0.000 0.786 322 A CB 0.165 19.224 19.000 0.099 0.000 1.061 322 A HN -0.010 nan 8.150 nan 0.000 0.503 323 P HA -0.046 nan 4.420 nan 0.000 0.218 323 P C 0.238 177.575 177.300 0.061 0.000 1.149 323 P CA 0.997 64.106 63.100 0.016 0.000 0.817 323 P CB 0.081 31.772 31.700 -0.016 0.000 0.785 324 V N 0.058 120.029 119.914 0.094 0.000 2.448 324 V HA 0.483 4.603 4.120 -0.000 0.000 0.295 324 V C 1.157 177.373 176.094 0.204 0.000 1.025 324 V CA -0.131 62.274 62.300 0.176 0.000 0.859 324 V CB 1.375 33.332 31.823 0.224 0.000 0.988 324 V HN -0.029 nan 8.190 nan 0.000 0.431 325 A N 4.339 127.310 122.820 0.251 0.000 2.169 325 A HA 0.322 4.642 4.320 -0.000 0.000 0.210 325 A C 0.166 177.977 177.584 0.380 0.000 1.168 325 A CA 0.575 52.780 52.037 0.281 0.000 0.813 325 A CB 0.173 19.327 19.000 0.257 0.000 0.861 325 A HN 0.776 nan 8.150 nan 0.000 0.481 326 Y N -0.119 120.311 120.300 0.217 0.000 2.442 326 Y HA 0.465 5.015 4.550 -0.000 0.000 0.330 326 Y C -0.420 175.554 175.900 0.123 0.000 1.100 326 Y CA -0.373 57.844 58.100 0.194 0.000 1.034 326 Y CB 1.518 40.136 38.460 0.262 0.000 1.285 326 Y HN 0.125 nan 8.280 nan 0.000 0.440 327 T N 3.862 118.104 114.554 -0.519 0.000 2.906 327 T HA 0.870 5.220 4.350 -0.000 0.000 0.295 327 T C -1.497 172.806 174.700 -0.661 0.000 1.075 327 T CA -0.845 60.968 62.100 -0.478 0.000 1.005 327 T CB 1.931 70.498 68.868 -0.501 0.000 1.136 327 T HN 0.612 nan 8.240 nan 0.000 0.498 328 L N 0.902 121.870 121.223 -0.426 0.000 2.393 328 L HA 0.497 4.837 4.340 -0.000 0.000 0.260 328 L C -0.687 176.014 176.870 -0.282 0.000 1.002 328 L CA -1.263 53.383 54.840 -0.324 0.000 0.818 328 L CB 2.236 44.200 42.059 -0.160 0.000 1.369 328 L HN 0.739 nan 8.230 nan 0.000 0.412 329 D N 0.900 121.165 120.400 -0.225 0.000 2.450 329 D HA -0.041 4.599 4.640 -0.000 0.000 0.247 329 D C -0.257 176.069 176.300 0.044 0.000 1.162 329 D CA 0.623 54.564 54.000 -0.099 0.000 0.879 329 D CB 1.168 42.032 40.800 0.106 0.000 1.163 329 D HN 0.507 nan 8.370 nan 0.000 0.472 330 D N 1.810 122.240 120.400 0.050 0.000 2.501 330 D HA 0.074 4.714 4.640 -0.000 0.000 0.224 330 D C -0.353 176.030 176.300 0.140 0.000 1.202 330 D CA -0.162 53.892 54.000 0.091 0.000 0.829 330 D CB 0.378 41.171 40.800 -0.012 0.000 1.023 330 D HN 0.228 nan 8.370 nan 0.000 0.499 331 T N 1.616 116.292 114.554 0.203 0.000 2.946 331 T HA 0.007 4.357 4.350 -0.000 0.000 0.311 331 T C 0.521 175.293 174.700 0.119 0.000 1.063 331 T CA -0.062 62.153 62.100 0.192 0.000 1.139 331 T CB 0.746 69.734 68.868 0.201 0.000 0.994 331 T HN -0.060 nan 8.240 nan 0.000 0.547 332 K N 4.018 124.452 120.400 0.056 0.000 2.380 332 K HA 0.062 4.382 4.320 -0.000 0.000 0.267 332 K C -1.392 175.101 176.600 -0.178 0.000 0.990 332 K CA -1.797 54.422 56.287 -0.113 0.000 0.946 332 K CB 0.192 32.666 32.500 -0.043 0.000 0.937 332 K HN 0.342 nan 8.250 nan 0.000 0.491 333 P HA -0.150 nan 4.420 nan 0.000 0.218 333 P C 0.353 177.588 177.300 -0.108 0.000 1.146 333 P CA 1.391 64.302 63.100 -0.315 0.000 0.813 333 P CB 0.335 31.747 31.700 -0.481 0.000 0.778 334 E N -1.141 119.012 120.200 -0.078 0.000 2.418 334 E HA 0.130 4.480 4.350 -0.000 0.000 0.197 334 E C 1.588 178.183 176.600 -0.009 0.000 1.026 334 E CA 0.983 57.371 56.400 -0.019 0.000 0.862 334 E CB -0.797 28.912 29.700 0.015 0.000 0.799 334 E HN 0.312 nan 8.360 nan 0.000 0.518 335 G N 0.651 109.446 108.800 -0.007 0.000 2.176 335 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.232 335 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.232 335 G C 0.107 175.002 174.900 -0.007 0.000 0.986 335 G CA 0.261 45.354 45.100 -0.012 0.000 0.643 335 G HN 0.372 nan 8.290 nan 0.000 0.522 336 N N -0.740 117.976 118.700 0.026 0.000 2.530 336 N HA 0.538 5.278 4.740 -0.000 0.000 0.283 336 N C 0.521 176.113 175.510 0.138 0.000 1.238 336 N CA -0.897 52.144 53.050 -0.015 0.000 0.971 336 N CB -0.004 38.398 38.487 -0.141 0.000 1.195 336 N HN 0.597 nan 8.380 nan 0.000 0.583 337 Y N -2.766 117.567 120.300 0.056 0.000 3.168 337 Y HA -0.175 4.375 4.550 -0.000 0.000 0.207 337 Y C 0.583 176.624 175.900 0.236 0.000 1.280 337 Y CA 0.302 58.488 58.100 0.144 0.000 1.235 337 Y CB -2.348 36.157 38.460 0.076 0.000 1.370 337 Y HN 0.758 nan 8.280 nan 0.000 0.537 338 A N 0.328 123.314 122.820 0.277 0.000 2.587 338 A HA 0.543 4.863 4.320 -0.000 0.000 0.235 338 A C 0.745 178.586 177.584 0.429 0.000 1.044 338 A CA 0.652 52.870 52.037 0.302 0.000 0.754 338 A CB 0.087 19.196 19.000 0.181 0.000 0.968 338 A HN 1.518 nan 8.150 nan 0.000 0.509 339 A N 2.465 125.539 122.820 0.423 0.000 2.605 339 A HA 0.618 4.938 4.320 -0.000 0.000 0.294 339 A C -1.016 176.570 177.584 0.003 0.000 1.062 339 A CA -0.527 51.566 52.037 0.093 0.000 0.682 339 A CB 0.961 19.689 19.000 -0.453 0.000 1.278 339 A HN 0.713 nan 8.150 nan 0.000 0.410 340 I N 2.636 123.109 120.570 -0.163 0.000 2.406 340 I HA 0.377 4.547 4.170 -0.000 0.000 0.290 340 I C -0.205 175.767 176.117 -0.241 0.000 0.999 340 I CA -0.393 60.673 61.300 -0.390 0.000 1.124 340 I CB 1.669 39.269 38.000 -0.666 0.000 1.289 340 I HN 0.757 nan 8.210 nan 0.000 0.441 341 M N 5.661 125.119 119.600 -0.237 0.000 2.209 341 M HA 0.620 5.100 4.480 -0.000 0.000 0.355 341 M C -0.349 175.825 176.300 -0.210 0.000 1.171 341 M CA -0.169 55.024 55.300 -0.179 0.000 1.069 341 M CB 1.217 33.733 32.600 -0.140 0.000 1.622 341 M HN 0.702 nan 8.290 nan 0.000 0.459 342 G N 4.236 112.957 108.800 -0.132 0.000 2.612 342 G HA2 0.694 4.654 3.960 -0.000 0.000 0.298 342 G HA3 0.694 4.654 3.960 -0.000 0.000 0.298 342 G C -2.014 172.834 174.900 -0.087 0.000 1.336 342 G CA -0.540 44.529 45.100 -0.053 0.000 0.953 342 G HN 0.648 nan 8.290 nan 0.000 0.482 343 F N 0.610 120.713 119.950 0.256 0.000 2.427 343 F HA 0.492 5.019 4.527 -0.000 0.000 0.346 343 F C 0.509 176.426 175.800 0.196 0.000 1.120 343 F CA -0.716 57.435 58.000 0.251 0.000 1.033 343 F CB 2.161 41.339 39.000 0.297 0.000 1.126 343 F HN 0.057 nan 8.300 nan 0.000 0.462 344 I N 5.403 126.187 120.570 0.358 0.000 2.304 344 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 344 I C -0.674 175.540 176.117 0.162 0.000 1.018 344 I CA -0.321 61.103 61.300 0.208 0.000 1.260 344 I CB 0.815 38.905 38.000 0.150 0.000 1.390 344 I HN 0.389 nan 8.210 nan 0.000 0.475 345 L N 6.466 127.742 121.223 0.088 0.000 2.325 345 L HA 0.710 5.050 4.340 -0.000 0.000 0.278 345 L C 0.932 177.771 176.870 -0.052 0.000 1.023 345 L CA -0.191 54.661 54.840 0.020 0.000 0.811 345 L CB 1.548 43.625 42.059 0.030 0.000 1.249 345 L HN 0.909 nan 8.230 nan 0.000 0.431 346 A N 2.087 124.870 122.820 -0.061 0.000 5.308 346 A HA -0.364 3.956 4.320 -0.000 0.000 0.321 346 A C 1.675 179.251 177.584 -0.012 0.000 1.849 346 A CA 1.516 53.523 52.037 -0.049 0.000 0.713 346 A CB -1.597 17.372 19.000 -0.052 0.000 1.360 346 A HN 1.087 nan 8.150 nan 0.000 0.384 347 H N 1.010 120.073 119.070 -0.012 0.000 2.456 347 H HA -0.026 4.530 4.556 -0.000 0.000 0.296 347 H C 1.671 177.018 175.328 0.032 0.000 1.079 347 H CA 1.838 57.896 56.048 0.017 0.000 1.322 347 H CB -0.366 29.414 29.762 0.029 0.000 1.388 347 H HN 0.735 nan 8.280 nan 0.000 0.538 348 K N 0.715 120.761 120.400 -0.591 0.000 2.148 348 K HA 0.060 4.380 4.320 -0.000 0.000 0.204 348 K C 2.588 179.128 176.600 -0.101 0.000 1.050 348 K CA 0.895 56.971 56.287 -0.352 0.000 0.942 348 K CB 0.035 32.347 32.500 -0.313 0.000 0.724 348 K HN 0.325 nan 8.250 nan 0.000 0.446 349 A N 1.490 124.280 122.820 -0.049 0.000 1.902 349 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 349 A C 2.093 179.695 177.584 0.029 0.000 1.181 349 A CA 1.393 53.444 52.037 0.024 0.000 0.623 349 A CB -0.318 18.713 19.000 0.051 0.000 0.818 349 A HN 0.118 nan 8.150 nan 0.000 0.443 350 R N -0.255 120.262 120.500 0.027 0.000 2.073 350 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 350 R C 2.359 178.684 176.300 0.041 0.000 1.134 350 R CA 1.855 57.981 56.100 0.043 0.000 0.952 350 R CB -0.273 30.065 30.300 0.064 0.000 0.850 350 R HN 0.617 nan 8.270 nan 0.000 0.433 351 K N 0.431 120.853 120.400 0.038 0.000 2.025 351 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 351 K C 1.592 178.209 176.600 0.028 0.000 1.049 351 K CA 1.327 57.639 56.287 0.041 0.000 0.933 351 K CB 0.018 32.550 32.500 0.054 0.000 0.714 351 K HN 0.174 nan 8.250 nan 0.000 0.438 352 L N 0.312 121.546 121.223 0.019 0.000 2.558 352 L HA 0.108 4.448 4.340 -0.000 0.000 0.225 352 L C 2.250 179.140 176.870 0.033 0.000 1.128 352 L CA 0.250 55.104 54.840 0.023 0.000 0.868 352 L CB -0.055 42.015 42.059 0.019 0.000 1.006 352 L HN 0.181 nan 8.230 nan 0.000 0.454 353 A N 0.477 123.318 122.820 0.036 0.000 2.070 353 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 353 A C 2.334 179.935 177.584 0.029 0.000 1.159 353 A CA 1.065 53.124 52.037 0.037 0.000 0.656 353 A CB -0.364 18.657 19.000 0.036 0.000 0.800 353 A HN 0.346 nan 8.150 nan 0.000 0.453 354 R N -0.681 119.834 120.500 0.025 0.000 2.189 354 R HA 0.071 4.411 4.340 -0.000 0.000 0.223 354 R C 0.157 176.468 176.300 0.019 0.000 1.092 354 R CA 0.244 56.357 56.100 0.020 0.000 0.989 354 R CB -0.419 29.893 30.300 0.020 0.000 0.876 354 R HN 0.449 nan 8.270 nan 0.000 0.457 355 L N 0.536 121.772 121.223 0.021 0.000 2.468 355 L HA 0.125 4.465 4.340 -0.000 0.000 0.254 355 L C 1.045 177.929 176.870 0.024 0.000 1.171 355 L CA -0.545 54.306 54.840 0.018 0.000 0.809 355 L CB 0.533 42.601 42.059 0.014 0.000 1.155 355 L HN 0.104 nan 8.230 nan 0.000 0.473 356 T N -2.774 111.793 114.554 0.021 0.000 2.828 356 T HA 0.104 4.454 4.350 -0.000 0.000 0.290 356 T C 0.889 175.618 174.700 0.048 0.000 1.019 356 T CA -0.624 61.494 62.100 0.029 0.000 1.031 356 T CB 1.195 70.075 68.868 0.020 0.000 1.001 356 T HN 0.677 nan 8.240 nan 0.000 0.531 357 K N 0.352 120.796 120.400 0.074 0.000 2.063 357 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 357 K C 1.944 178.607 176.600 0.105 0.000 1.048 357 K CA 1.888 58.265 56.287 0.150 0.000 0.928 357 K CB -0.193 32.399 32.500 0.153 0.000 0.713 357 K HN 0.692 nan 8.250 nan 0.000 0.442 358 E N 0.698 120.923 120.200 0.042 0.000 2.106 358 E HA -0.150 4.199 4.350 -0.000 0.000 0.192 358 E C 1.781 178.345 176.600 -0.060 0.000 0.984 358 E CA 1.384 57.774 56.400 -0.017 0.000 0.806 358 E CB 0.034 29.732 29.700 -0.003 0.000 0.750 358 E HN 0.401 nan 8.360 nan 0.000 0.458 359 E N 0.143 120.323 120.200 -0.032 0.000 2.106 359 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 359 E C 2.122 178.679 176.600 -0.070 0.000 0.984 359 E CA 0.653 57.028 56.400 -0.042 0.000 0.806 359 E CB 0.000 29.690 29.700 -0.017 0.000 0.750 359 E HN 0.114 nan 8.360 nan 0.000 0.458 360 R N 0.268 120.732 120.500 -0.059 0.000 2.075 360 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 360 R C 2.447 178.597 176.300 -0.250 0.000 1.126 360 R CA 0.712 56.765 56.100 -0.080 0.000 0.963 360 R CB -0.310 30.015 30.300 0.042 0.000 0.858 360 R HN 0.117 nan 8.270 nan 0.000 0.435 361 L N 1.823 122.782 121.223 -0.441 0.000 2.012 361 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 361 L C 2.191 178.845 176.870 -0.360 0.000 1.073 361 L CA 1.913 56.339 54.840 -0.690 0.000 0.748 361 L CB -0.473 41.148 42.059 -0.729 0.000 0.891 361 L HN 0.006 nan 8.230 nan 0.000 0.431 362 K N -0.555 119.711 120.400 -0.223 0.000 2.032 362 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 362 K C 2.192 178.704 176.600 -0.147 0.000 1.048 362 K CA 1.819 58.020 56.287 -0.143 0.000 0.927 362 K CB -0.093 32.352 32.500 -0.091 0.000 0.712 362 K HN 0.346 nan 8.250 nan 0.000 0.441 363 K N 0.152 120.461 120.400 -0.152 0.000 2.057 363 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 363 K C 2.112 178.573 176.600 -0.232 0.000 1.049 363 K CA 1.129 57.329 56.287 -0.144 0.000 0.931 363 K CB -0.098 32.339 32.500 -0.105 0.000 0.714 363 K HN 0.052 nan 8.250 nan 0.000 0.440 364 L N 0.744 121.772 121.223 -0.326 0.000 2.056 364 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 364 L C 2.439 178.871 176.870 -0.730 0.000 1.078 364 L CA 1.488 55.965 54.840 -0.604 0.000 0.749 364 L CB -0.677 41.062 42.059 -0.532 0.000 0.901 364 L HN 0.225 nan 8.230 nan 0.000 0.433 365 C N -0.707 118.389 119.300 -0.341 0.000 2.429 365 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 365 C C 2.649 177.610 174.990 -0.049 0.000 1.262 365 C CA 0.542 59.511 59.018 -0.082 0.000 1.733 365 C CB -0.719 27.026 27.740 0.007 0.000 2.010 365 C HN 0.546 nan 8.230 nan 0.000 0.483 366 E N 0.303 120.445 120.200 -0.096 0.000 2.077 366 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 366 E C 1.997 178.561 176.600 -0.059 0.000 0.989 366 E CA 0.987 57.355 56.400 -0.054 0.000 0.800 366 E CB -0.274 29.394 29.700 -0.053 0.000 0.746 366 E HN 0.525 nan 8.360 nan 0.000 0.452 367 L N 0.354 121.494 121.223 -0.139 0.000 2.017 367 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 367 L C 2.029 178.903 176.870 0.006 0.000 1.073 367 L CA 1.728 56.498 54.840 -0.116 0.000 0.745 367 L CB -0.581 41.366 42.059 -0.188 0.000 0.894 367 L HN 0.196 nan 8.230 nan 0.000 0.432 368 Y N -0.739 119.545 120.300 -0.027 0.000 2.224 368 Y HA -0.229 4.321 4.550 -0.000 0.000 0.289 368 Y C 2.535 178.444 175.900 0.016 0.000 1.146 368 Y CA 0.268 58.356 58.100 -0.020 0.000 1.182 368 Y CB -0.496 37.991 38.460 0.045 0.000 0.983 368 Y HN 0.393 nan 8.280 nan 0.000 0.524 369 A N 0.824 123.754 122.820 0.184 0.000 1.902 369 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 369 A C 2.091 179.723 177.584 0.080 0.000 1.181 369 A CA 1.842 53.950 52.037 0.119 0.000 0.623 369 A CB -0.473 18.567 19.000 0.068 0.000 0.818 369 A HN 0.392 nan 8.150 nan 0.000 0.443 370 K N -0.550 119.873 120.400 0.039 0.000 2.002 370 K HA -0.066 4.254 4.320 -0.000 0.000 0.209 370 K C 1.875 178.467 176.600 -0.013 0.000 1.048 370 K CA 1.544 57.840 56.287 0.015 0.000 0.930 370 K CB -0.412 32.079 32.500 -0.016 0.000 0.714 370 K HN 0.297 nan 8.250 nan 0.000 0.438 371 V N 1.696 121.540 119.914 -0.117 0.000 2.379 371 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 371 V C 2.056 178.098 176.094 -0.087 0.000 1.044 371 V CA 1.475 63.658 62.300 -0.195 0.000 1.036 371 V CB -0.384 31.267 31.823 -0.285 0.000 0.664 371 V HN 0.256 nan 8.190 nan 0.000 0.453 372 L N 0.498 121.712 121.223 -0.015 0.000 2.492 372 L HA 0.280 4.620 4.340 -0.000 0.000 0.223 372 L C 1.635 178.647 176.870 0.238 0.000 1.132 372 L CA 0.753 55.634 54.840 0.070 0.000 0.850 372 L CB -0.713 41.470 42.059 0.208 0.000 0.966 372 L HN 0.539 nan 8.230 nan 0.000 0.454 373 G N 0.788 109.683 108.800 0.158 0.000 2.338 373 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.296 373 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.296 373 G C -0.074 174.918 174.900 0.154 0.000 1.040 373 G CA 0.449 45.639 45.100 0.151 0.000 1.004 373 G HN 0.330 nan 8.290 nan 0.000 0.509 374 S N -0.867 114.917 115.700 0.140 0.000 2.677 374 S HA 0.452 4.922 4.470 -0.000 0.000 0.283 374 S C 1.108 175.684 174.600 -0.041 0.000 1.159 374 S CA -0.774 57.470 58.200 0.073 0.000 1.001 374 S CB 1.711 65.029 63.200 0.196 0.000 1.032 374 S HN 0.253 nan 8.310 nan 0.000 0.487 375 L N 1.999 123.175 121.223 -0.080 0.000 2.362 375 L HA -0.052 4.288 4.340 -0.000 0.000 0.219 375 L C 2.085 178.843 176.870 -0.187 0.000 1.134 375 L CA 1.084 55.870 54.840 -0.090 0.000 0.807 375 L CB -0.304 41.719 42.059 -0.060 0.000 0.927 375 L HN 0.705 nan 8.230 nan 0.000 0.447 376 E N 0.480 120.435 120.200 -0.408 0.000 2.265 376 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 376 E C 2.231 178.425 176.600 -0.677 0.000 0.996 376 E CA 0.941 56.932 56.400 -0.682 0.000 0.832 376 E CB -0.095 28.871 29.700 -1.223 0.000 0.756 376 E HN 0.508 nan 8.360 nan 0.000 0.491 377 A N 0.762 123.283 122.820 -0.499 0.000 2.121 377 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 377 A C 1.901 179.654 177.584 0.283 0.000 1.154 377 A CA 0.691 52.740 52.037 0.021 0.000 0.679 377 A CB -0.288 18.870 19.000 0.263 0.000 0.795 377 A HN 0.160 nan 8.150 nan 0.000 0.458 378 L N -1.191 120.099 121.223 0.111 0.000 2.591 378 L HA 0.122 4.462 4.340 -0.000 0.000 0.228 378 L C 0.424 177.369 176.870 0.126 0.000 1.133 378 L CA 0.284 55.188 54.840 0.107 0.000 0.880 378 L CB 0.007 42.087 42.059 0.036 0.000 1.033 378 L HN 0.216 nan 8.230 nan 0.000 0.450 379 E N 0.827 121.149 120.200 0.203 0.000 3.588 379 E HA 0.186 4.536 4.350 -0.000 0.000 0.213 379 E C -2.256 174.497 176.600 0.255 0.000 1.168 379 E CA -1.751 54.754 56.400 0.175 0.000 1.254 379 E CB 0.655 30.418 29.700 0.106 0.000 1.302 379 E HN 0.046 nan 8.360 nan 0.000 0.429 380 P HA -0.044 nan 4.420 nan 0.000 0.271 380 P C 0.785 178.105 177.300 0.034 0.000 1.218 380 P CA -0.006 63.041 63.100 -0.088 0.000 0.780 380 P CB 1.601 33.214 31.700 -0.144 0.000 0.901 381 V N -1.588 118.365 119.914 0.065 0.000 3.565 381 V HA 0.297 4.417 4.120 -0.000 0.000 0.260 381 V C 0.483 176.703 176.094 0.210 0.000 1.231 381 V CA 0.808 63.188 62.300 0.133 0.000 1.100 381 V CB -1.191 30.715 31.823 0.139 0.000 0.807 381 V HN 0.669 nan 8.190 nan 0.000 0.454 382 H N -1.191 117.944 119.070 0.108 0.000 2.987 382 H HA 0.612 5.168 4.556 -0.000 0.000 0.316 382 H C -2.304 173.232 175.328 0.347 0.000 1.380 382 H CA -0.720 55.412 56.048 0.139 0.000 1.160 382 H CB 1.898 31.637 29.762 -0.039 0.000 1.865 382 H HN 0.147 nan 8.280 nan 0.000 0.521 383 Y N 1.660 121.693 120.300 -0.445 0.000 2.441 383 Y HA 0.495 5.045 4.550 -0.000 0.000 0.334 383 Y C -1.703 174.075 175.900 -0.204 0.000 1.061 383 Y CA -0.657 57.361 58.100 -0.137 0.000 1.032 383 Y CB 1.672 40.065 38.460 -0.111 0.000 1.266 383 Y HN 0.611 nan 8.280 nan 0.000 0.441 384 E N 4.571 124.534 120.200 -0.395 0.000 2.317 384 E HA 0.430 4.780 4.350 -0.000 0.000 0.270 384 E C -1.421 174.833 176.600 -0.578 0.000 0.885 384 E CA -0.775 55.398 56.400 -0.378 0.000 0.760 384 E CB 2.719 32.435 29.700 0.026 0.000 1.227 384 E HN 0.781 nan 8.360 nan 0.000 0.434 385 E N 0.470 120.421 120.200 -0.414 0.000 2.412 385 E HA 0.654 5.004 4.350 -0.000 0.000 0.279 385 E C -1.206 175.348 176.600 -0.076 0.000 0.984 385 E CA -1.068 55.189 56.400 -0.237 0.000 0.788 385 E CB 2.571 32.102 29.700 -0.283 0.000 1.277 385 E HN 0.169 nan 8.360 nan 0.000 0.455 386 K N 1.414 121.822 120.400 0.014 0.000 2.565 386 K HA 0.278 4.598 4.320 -0.000 0.000 0.249 386 K C -1.581 174.995 176.600 -0.039 0.000 0.958 386 K CA -0.747 55.491 56.287 -0.082 0.000 0.806 386 K CB 1.452 33.869 32.500 -0.138 0.000 1.194 386 K HN 0.517 nan 8.250 nan 0.000 0.434 387 N N 4.046 122.681 118.700 -0.107 0.000 2.437 387 N HA 0.109 4.849 4.740 -0.000 0.000 0.243 387 N C -0.297 175.161 175.510 -0.086 0.000 1.041 387 N CA -0.372 52.675 53.050 -0.005 0.000 0.940 387 N CB 0.345 38.835 38.487 0.005 0.000 1.133 387 N HN 0.651 nan 8.380 nan 0.000 0.506 388 W N 2.169 123.517 121.300 0.079 0.000 2.800 388 W HA 0.082 4.742 4.660 -0.000 0.000 0.249 388 W C 1.901 178.444 176.519 0.040 0.000 1.294 388 W CA -0.117 57.270 57.345 0.069 0.000 1.402 388 W CB -0.071 29.449 29.460 0.101 0.000 1.126 388 W HN 0.589 nan 8.180 nan 0.000 0.652 389 C N 0.446 119.860 119.300 0.190 0.000 2.432 389 C HA -0.145 4.315 4.460 -0.000 0.000 0.282 389 C C 2.329 177.350 174.990 0.053 0.000 1.388 389 C CA 1.343 60.427 59.018 0.111 0.000 1.777 389 C CB -1.469 26.319 27.740 0.080 0.000 1.882 389 C HN 0.491 nan 8.230 nan 0.000 0.520 390 E N 0.794 121.003 120.200 0.016 0.000 2.478 390 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 390 E C -0.082 176.493 176.600 -0.043 0.000 1.045 390 E CA 0.355 56.739 56.400 -0.027 0.000 0.868 390 E CB -0.177 29.492 29.700 -0.052 0.000 0.885 390 E HN 0.487 nan 8.360 nan 0.000 0.505 391 E N 2.217 122.410 120.200 -0.012 0.000 2.129 391 E HA -0.016 4.334 4.350 -0.000 0.000 0.283 391 E C 0.490 177.074 176.600 -0.026 0.000 1.080 391 E CA 0.021 56.418 56.400 -0.005 0.000 0.867 391 E CB 1.483 31.239 29.700 0.092 0.000 1.056 391 E HN 0.355 nan 8.360 nan 0.000 0.404 392 Q N 2.947 122.667 119.800 -0.133 0.000 2.135 392 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 392 Q C 0.363 176.122 176.000 -0.402 0.000 0.981 392 Q CA 1.647 57.250 55.803 -0.334 0.000 0.856 392 Q CB 0.085 28.483 28.738 -0.566 0.000 0.902 392 Q HN 0.599 nan 8.270 nan 0.000 0.425 393 Y N -0.989 119.345 120.300 0.056 0.000 2.524 393 Y HA 0.248 4.798 4.550 -0.000 0.000 0.266 393 Y C 1.473 177.438 175.900 0.109 0.000 1.180 393 Y CA -0.294 57.849 58.100 0.072 0.000 1.244 393 Y CB 0.888 39.384 38.460 0.059 0.000 1.125 393 Y HN 0.074 nan 8.280 nan 0.000 0.524 394 S N -1.583 114.244 115.700 0.211 0.000 2.931 394 S HA 0.292 4.762 4.470 -0.000 0.000 0.251 394 S C 1.803 176.487 174.600 0.140 0.000 1.078 394 S CA 0.537 58.869 58.200 0.221 0.000 0.835 394 S CB 0.578 63.996 63.200 0.363 0.000 0.798 394 S HN 0.511 nan 8.310 nan 0.000 0.495 395 G N 1.056 109.921 108.800 0.109 0.000 2.176 395 G HA2 0.133 4.093 3.960 -0.000 0.000 0.253 395 G HA3 0.133 4.093 3.960 -0.000 0.000 0.253 395 G C 0.503 175.449 174.900 0.076 0.000 0.979 395 G CA 0.071 45.204 45.100 0.054 0.000 0.641 395 G HN 1.400 nan 8.290 nan 0.000 0.530 396 G N -2.368 106.521 108.800 0.148 0.000 2.357 396 G HA2 0.498 4.458 3.960 -0.000 0.000 0.289 396 G HA3 0.498 4.458 3.960 -0.000 0.000 0.289 396 G C -0.858 174.129 174.900 0.144 0.000 1.302 396 G CA 0.260 45.454 45.100 0.157 0.000 0.936 396 G HN 1.512 nan 8.290 nan 0.000 0.513 397 C N -1.612 117.726 119.300 0.062 0.000 3.285 397 C HA 0.610 5.070 4.460 -0.000 0.000 0.325 397 C C 0.733 175.595 174.990 -0.214 0.000 1.304 397 C CA -0.629 58.358 59.018 -0.051 0.000 1.319 397 C CB 0.840 28.458 27.740 -0.202 0.000 1.640 397 C HN 0.733 nan 8.230 nan 0.000 0.477 398 Y N 0.564 120.800 120.300 -0.105 0.000 2.420 398 Y HA 0.251 4.801 4.550 -0.000 0.000 0.292 398 Y C 1.552 177.418 175.900 -0.055 0.000 1.119 398 Y CA 1.008 59.014 58.100 -0.156 0.000 1.229 398 Y CB -0.384 37.955 38.460 -0.202 0.000 1.026 398 Y HN 0.680 nan 8.280 nan 0.000 0.554 399 T N -1.869 112.766 114.554 0.135 0.000 2.665 399 T HA 0.336 4.686 4.350 -0.000 0.000 0.303 399 T C -0.813 173.985 174.700 0.162 0.000 1.334 399 T CA -0.693 61.525 62.100 0.197 0.000 1.011 399 T CB 1.040 70.118 68.868 0.350 0.000 1.573 399 T HN -0.157 nan 8.240 nan 0.000 0.492 400 T N 2.649 117.313 114.554 0.183 0.000 2.851 400 T HA 0.476 4.826 4.350 -0.000 0.000 0.298 400 T C -0.800 173.905 174.700 0.009 0.000 0.977 400 T CA 0.073 62.183 62.100 0.017 0.000 1.126 400 T CB -0.398 68.478 68.868 0.014 0.000 0.916 400 T HN 0.464 nan 8.240 nan 0.000 0.529 401 Y N 1.026 121.100 120.300 -0.375 0.000 2.528 401 Y HA 0.794 5.344 4.550 -0.000 0.000 0.335 401 Y C -1.255 174.079 175.900 -0.942 0.000 1.093 401 Y CA -2.246 55.271 58.100 -0.972 0.000 1.134 401 Y CB 0.763 38.801 38.460 -0.704 0.000 1.253 401 Y HN 0.398 nan 8.280 nan 0.000 0.478 402 F N 3.132 122.318 119.950 -1.274 0.000 2.402 402 F HA 0.568 5.095 4.527 -0.000 0.000 0.355 402 F C -2.306 173.403 175.800 -0.152 0.000 1.123 402 F CA -2.763 54.871 58.000 -0.609 0.000 1.021 402 F CB 1.508 40.203 39.000 -0.508 0.000 1.160 402 F HN 0.359 nan 8.300 nan 0.000 0.451 403 P HA 0.106 nan 4.420 nan 0.000 0.273 403 P C -2.545 174.856 177.300 0.170 0.000 1.250 403 P CA -1.139 62.045 63.100 0.140 0.000 0.793 403 P CB -0.151 31.578 31.700 0.049 0.000 1.011 404 P HA -0.033 nan 4.420 nan 0.000 0.264 404 P C 0.875 178.268 177.300 0.155 0.000 1.193 404 P CA 1.248 64.450 63.100 0.171 0.000 0.763 404 P CB -0.072 31.710 31.700 0.137 0.000 0.810 405 G N 2.944 111.850 108.800 0.177 0.000 2.195 405 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.246 405 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.246 405 G C 0.775 175.794 174.900 0.198 0.000 0.984 405 G CA 0.050 45.245 45.100 0.158 0.000 0.633 405 G HN 0.432 nan 8.290 nan 0.000 0.525 406 I N 0.080 120.801 120.570 0.251 0.000 2.494 406 I HA 0.175 4.345 4.170 -0.000 0.000 0.250 406 I C 2.613 178.982 176.117 0.420 0.000 1.112 406 I CA 1.179 62.686 61.300 0.345 0.000 1.438 406 I CB -1.159 36.967 38.000 0.211 0.000 1.111 406 I HN 0.262 nan 8.210 nan 0.000 0.431 407 L N 1.192 122.645 121.223 0.383 0.000 2.046 407 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 407 L C 2.627 179.576 176.870 0.133 0.000 1.077 407 L CA 2.467 57.404 54.840 0.161 0.000 0.747 407 L CB -0.919 41.134 42.059 -0.009 0.000 0.896 407 L HN 0.421 nan 8.230 nan 0.000 0.432 408 T N -4.337 110.304 114.554 0.144 0.000 2.904 408 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 408 T C 1.795 176.460 174.700 -0.058 0.000 1.059 408 T CA 0.873 63.028 62.100 0.092 0.000 1.137 408 T CB -0.299 68.627 68.868 0.096 0.000 0.879 408 T HN 0.338 nan 8.240 nan 0.000 0.467 409 Q N -0.096 119.665 119.800 -0.065 0.000 2.212 409 Q HA 0.123 4.463 4.340 -0.000 0.000 0.199 409 Q C 1.036 176.715 176.000 -0.535 0.000 0.950 409 Q CA 1.153 56.770 55.803 -0.309 0.000 0.863 409 Q CB 0.010 28.547 28.738 -0.335 0.000 0.944 409 Q HN 0.773 nan 8.270 nan 0.000 0.465 410 Y N -1.756 118.478 120.300 -0.110 0.000 2.499 410 Y HA 0.268 4.818 4.550 -0.000 0.000 0.253 410 Y C 1.996 177.773 175.900 -0.204 0.000 1.105 410 Y CA 0.069 58.087 58.100 -0.137 0.000 1.240 410 Y CB 0.283 38.706 38.460 -0.062 0.000 1.289 410 Y HN 0.082 nan 8.280 nan 0.000 0.534 411 G N 1.627 110.333 108.800 -0.156 0.000 2.442 411 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 411 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 411 G C 1.749 176.172 174.900 -0.797 0.000 1.141 411 G CA 1.139 46.048 45.100 -0.318 0.000 0.763 411 G HN 0.413 nan 8.290 nan 0.000 0.554 412 R N 0.418 120.157 120.500 -1.269 0.000 2.237 412 R HA 0.045 4.385 4.340 -0.000 0.000 0.219 412 R C 1.835 177.901 176.300 -0.390 0.000 1.080 412 R CA 1.276 56.734 56.100 -1.069 0.000 0.995 412 R CB -0.565 29.141 30.300 -0.990 0.000 0.875 412 R HN 0.286 nan 8.270 nan 0.000 0.462 413 V N 1.386 121.126 119.914 -0.290 0.000 2.871 413 V HA -0.111 4.009 4.120 -0.000 0.000 0.256 413 V C 2.507 178.499 176.094 -0.171 0.000 1.082 413 V CA 0.807 63.000 62.300 -0.178 0.000 1.105 413 V CB -0.528 31.215 31.823 -0.132 0.000 0.713 413 V HN 0.225 nan 8.190 nan 0.000 0.473 414 L N 1.066 122.226 121.223 -0.105 0.000 1.997 414 L HA -0.215 4.125 4.340 -0.000 0.000 0.216 414 L C 2.479 179.304 176.870 -0.076 0.000 1.074 414 L CA 2.345 57.150 54.840 -0.058 0.000 0.763 414 L CB -0.198 41.927 42.059 0.109 0.000 0.890 414 L HN 0.480 nan 8.230 nan 0.000 0.434 415 R N -0.825 119.720 120.500 0.075 0.000 2.577 415 R HA 0.154 4.494 4.340 -0.000 0.000 0.344 415 R C 0.458 176.899 176.300 0.235 0.000 1.037 415 R CA -0.239 55.987 56.100 0.211 0.000 1.102 415 R CB -0.053 30.433 30.300 0.309 0.000 1.313 415 R HN 0.218 nan 8.270 nan 0.000 0.561 416 Q N 2.682 122.544 119.800 0.104 0.000 2.286 416 Q HA 0.189 4.529 4.340 -0.000 0.000 0.267 416 Q C -2.100 174.010 176.000 0.183 0.000 1.028 416 Q CA -2.048 53.816 55.803 0.102 0.000 0.901 416 Q CB 0.847 29.590 28.738 0.007 0.000 1.183 416 Q HN 0.044 nan 8.270 nan 0.000 0.392 417 P HA -0.040 nan 4.420 nan 0.000 0.269 417 P C -1.260 176.032 177.300 -0.014 0.000 1.209 417 P CA -0.056 62.979 63.100 -0.108 0.000 0.776 417 P CB 0.672 32.048 31.700 -0.540 0.000 0.876 418 V N 3.453 123.368 119.914 0.003 0.000 2.275 418 V HA 0.149 4.269 4.120 -0.000 0.000 0.272 418 V C 0.692 176.746 176.094 -0.067 0.000 1.028 418 V CA 0.129 62.432 62.300 0.004 0.000 0.810 418 V CB 0.049 31.916 31.823 0.073 0.000 1.043 418 V HN 0.780 nan 8.190 nan 0.000 0.453 419 D N 4.106 124.471 120.400 -0.059 0.000 4.372 419 D HA -0.306 4.334 4.640 -0.000 0.000 0.169 419 D C 1.342 177.629 176.300 -0.022 0.000 0.680 419 D CA 2.401 56.387 54.000 -0.024 0.000 1.152 419 D CB -0.263 40.536 40.800 -0.002 0.000 0.585 419 D HN 0.568 nan 8.370 nan 0.000 0.493 420 R N -0.107 120.409 120.500 0.027 0.000 2.468 420 R HA 0.447 4.787 4.340 -0.000 0.000 0.280 420 R C -0.186 176.222 176.300 0.179 0.000 0.963 420 R CA -0.149 56.071 56.100 0.199 0.000 1.083 420 R CB 0.418 30.781 30.300 0.104 0.000 1.200 420 R HN 0.293 nan 8.270 nan 0.000 0.541 421 I N 1.279 121.795 120.570 -0.090 0.000 2.315 421 I HA 0.212 4.382 4.170 -0.000 0.000 0.291 421 I C -0.557 175.210 176.117 -0.584 0.000 1.006 421 I CA -0.632 60.530 61.300 -0.230 0.000 1.265 421 I CB 0.623 38.457 38.000 -0.275 0.000 1.387 421 I HN -0.079 nan 8.210 nan 0.000 0.475 422 Y N 5.345 125.408 120.300 -0.395 0.000 2.487 422 Y HA 0.539 5.089 4.550 -0.000 0.000 0.337 422 Y C -0.497 175.079 175.900 -0.539 0.000 1.076 422 Y CA -0.700 57.197 58.100 -0.338 0.000 1.115 422 Y CB 1.501 39.883 38.460 -0.131 0.000 1.235 422 Y HN 0.285 nan 8.280 nan 0.000 0.468 423 F N 1.257 121.314 119.950 0.177 0.000 2.427 423 F HA 0.711 5.238 4.527 -0.000 0.000 0.348 423 F C 0.394 176.272 175.800 0.129 0.000 1.125 423 F CA -0.560 57.519 58.000 0.131 0.000 0.989 423 F CB 1.150 40.210 39.000 0.100 0.000 1.165 423 F HN 0.602 nan 8.300 nan 0.000 0.442 424 A N 2.265 125.237 122.820 0.254 0.000 3.444 424 A HA 0.960 5.280 4.320 -0.000 0.000 0.189 424 A C 0.326 178.042 177.584 0.220 0.000 1.542 424 A CA -0.442 51.710 52.037 0.191 0.000 0.867 424 A CB 0.059 19.129 19.000 0.116 0.000 1.712 424 A HN 1.497 nan 8.150 nan 0.000 0.556 425 G N -2.418 106.490 108.800 0.181 0.000 2.785 425 G HA2 0.095 4.055 3.960 -0.000 0.000 0.686 425 G HA3 0.095 4.055 3.960 -0.000 0.000 0.686 425 G C 0.425 175.457 174.900 0.220 0.000 1.155 425 G CA 0.624 45.838 45.100 0.191 0.000 0.760 425 G HN 1.570 nan 8.290 nan 0.000 0.624 426 T N 0.252 114.937 114.554 0.220 0.000 2.849 426 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 426 T C 2.099 177.001 174.700 0.337 0.000 1.066 426 T CA 2.681 64.938 62.100 0.262 0.000 1.130 426 T CB -0.169 68.849 68.868 0.249 0.000 0.864 426 T HN 0.625 nan 8.240 nan 0.000 0.481 427 E N 0.488 120.891 120.200 0.339 0.000 2.265 427 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 427 E C 2.215 179.068 176.600 0.423 0.000 0.996 427 E CA 1.507 58.157 56.400 0.417 0.000 0.832 427 E CB -0.183 29.725 29.700 0.346 0.000 0.756 427 E HN 0.708 nan 8.360 nan 0.000 0.491 428 T N -2.582 112.186 114.554 0.356 0.000 3.086 428 T HA 0.457 4.807 4.350 -0.000 0.000 0.250 428 T C 0.779 175.717 174.700 0.397 0.000 1.074 428 T CA -0.002 62.310 62.100 0.354 0.000 0.988 428 T CB 0.202 69.255 68.868 0.308 0.000 0.988 428 T HN 0.093 nan 8.240 nan 0.000 0.530 429 A N 1.699 124.759 122.820 0.400 0.000 2.313 429 A HA 0.554 4.874 4.320 -0.000 0.000 0.261 429 A C 1.476 179.335 177.584 0.457 0.000 1.090 429 A CA 0.075 52.351 52.037 0.398 0.000 0.807 429 A CB 0.391 19.587 19.000 0.326 0.000 1.055 429 A HN 0.501 nan 8.150 nan 0.000 0.492 430 T N -2.521 112.279 114.554 0.411 0.000 3.044 430 T HA 0.245 4.595 4.350 -0.000 0.000 0.260 430 T C 0.227 175.037 174.700 0.184 0.000 1.019 430 T CA 0.608 62.906 62.100 0.330 0.000 0.921 430 T CB -0.375 68.630 68.868 0.229 0.000 1.053 430 T HN 0.749 nan 8.240 nan 0.000 0.533 431 H N -1.038 118.063 119.070 0.053 0.000 2.934 431 H HA 0.272 4.827 4.556 -0.000 0.000 0.340 431 H C -0.981 174.371 175.328 0.039 0.000 1.008 431 H CA -1.093 54.911 56.048 -0.075 0.000 1.317 431 H CB 0.921 30.702 29.762 0.031 0.000 1.670 431 H HN 0.301 nan 8.280 nan 0.000 0.516 432 W N 2.144 123.191 121.300 -0.422 0.000 4.849 432 W HA -0.252 4.408 4.660 0.000 0.000 0.358 432 W C 0.521 176.979 176.519 -0.103 0.000 1.331 432 W CA 0.968 58.035 57.345 -0.462 0.000 0.844 432 W CB -1.694 27.412 29.460 -0.589 0.000 2.434 432 W HN 0.399 nan 8.180 nan 0.000 1.458 433 S N 0.495 116.234 115.700 0.066 0.000 2.558 433 S HA 0.368 4.838 4.470 -0.000 0.000 0.293 433 S C 1.421 176.242 174.600 0.367 0.000 1.292 433 S CA 1.792 60.149 58.200 0.261 0.000 1.063 433 S CB 0.749 64.175 63.200 0.377 0.000 0.831 433 S HN 1.418 nan 8.310 nan 0.000 0.499 434 G N 3.117 112.204 108.800 0.479 0.000 2.232 434 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.226 434 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.226 434 G C -0.176 174.874 174.900 0.250 0.000 0.996 434 G CA 0.256 45.651 45.100 0.492 0.000 0.626 434 G HN 0.686 nan 8.290 nan 0.000 0.509 435 Y N -0.347 120.078 120.300 0.209 0.000 2.602 435 Y HA 0.718 5.268 4.550 -0.000 0.000 0.330 435 Y C 2.018 177.969 175.900 0.086 0.000 1.114 435 Y CA -0.713 57.461 58.100 0.124 0.000 1.182 435 Y CB 0.801 39.324 38.460 0.104 0.000 1.305 435 Y HN -0.019 nan 8.280 nan 0.000 0.502 436 M N -0.146 119.575 119.600 0.201 0.000 2.149 436 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 436 M C 1.833 178.203 176.300 0.118 0.000 1.064 436 M CA 1.940 57.320 55.300 0.132 0.000 1.102 436 M CB -0.247 32.423 32.600 0.117 0.000 1.369 436 M HN 0.776 nan 8.290 nan 0.000 0.408 437 E N 0.780 121.029 120.200 0.081 0.000 2.058 437 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 437 E C 1.968 178.639 176.600 0.117 0.000 0.997 437 E CA 2.083 58.496 56.400 0.022 0.000 0.801 437 E CB -0.686 28.898 29.700 -0.193 0.000 0.746 437 E HN 0.426 nan 8.360 nan 0.000 0.450 438 G N 0.083 109.004 108.800 0.200 0.000 2.422 438 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 438 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 438 G C 1.715 176.735 174.900 0.200 0.000 1.146 438 G CA 1.152 46.390 45.100 0.231 0.000 0.769 438 G HN 0.480 nan 8.290 nan 0.000 0.547 439 A N 0.227 123.152 122.820 0.176 0.000 1.908 439 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 439 A C 2.616 180.266 177.584 0.110 0.000 1.181 439 A CA 1.966 54.089 52.037 0.143 0.000 0.627 439 A CB -0.647 18.426 19.000 0.122 0.000 0.818 439 A HN 0.275 nan 8.150 nan 0.000 0.445 440 V N 0.064 120.035 119.914 0.095 0.000 2.307 440 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 440 V C 2.532 178.669 176.094 0.073 0.000 1.045 440 V CA 2.184 64.525 62.300 0.069 0.000 1.024 440 V CB -0.792 31.065 31.823 0.055 0.000 0.651 440 V HN 0.741 nan 8.190 nan 0.000 0.449 441 E N 0.485 120.748 120.200 0.106 0.000 2.070 441 E HA -0.279 4.071 4.350 -0.000 0.000 0.197 441 E C 2.225 178.869 176.600 0.074 0.000 1.004 441 E CA 1.763 58.233 56.400 0.118 0.000 0.805 441 E CB -0.173 29.646 29.700 0.198 0.000 0.744 441 E HN 0.554 nan 8.360 nan 0.000 0.451 442 A N 0.606 123.491 122.820 0.108 0.000 1.898 442 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 442 A C 2.407 180.014 177.584 0.038 0.000 1.181 442 A CA 1.600 53.690 52.037 0.089 0.000 0.620 442 A CB -0.965 18.134 19.000 0.165 0.000 0.819 442 A HN 0.443 nan 8.150 nan 0.000 0.442 443 G N -0.335 108.493 108.800 0.047 0.000 2.421 443 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 443 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 443 G C 1.433 176.322 174.900 -0.019 0.000 1.171 443 G CA 0.961 46.076 45.100 0.024 0.000 0.775 443 G HN 0.643 nan 8.290 nan 0.000 0.543 444 E N -0.217 119.968 120.200 -0.025 0.000 2.107 444 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 444 E C 2.515 179.044 176.600 -0.118 0.000 0.982 444 E CA 0.252 56.620 56.400 -0.053 0.000 0.809 444 E CB -0.094 29.590 29.700 -0.027 0.000 0.756 444 E HN 0.305 nan 8.360 nan 0.000 0.459 445 R N 1.150 121.547 120.500 -0.171 0.000 2.075 445 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 445 R C 2.196 178.326 176.300 -0.285 0.000 1.126 445 R CA 1.341 57.229 56.100 -0.352 0.000 0.963 445 R CB -0.220 29.719 30.300 -0.602 0.000 0.858 445 R HN 0.130 nan 8.270 nan 0.000 0.435 446 A N 1.003 123.728 122.820 -0.158 0.000 1.902 446 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 446 A C 2.412 179.892 177.584 -0.174 0.000 1.181 446 A CA 1.744 53.725 52.037 -0.092 0.000 0.623 446 A CB -0.741 18.265 19.000 0.010 0.000 0.818 446 A HN 0.542 nan 8.150 nan 0.000 0.443 447 A N -0.154 122.580 122.820 -0.144 0.000 1.883 447 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 447 A C 2.258 179.720 177.584 -0.203 0.000 1.186 447 A CA 1.652 53.595 52.037 -0.157 0.000 0.624 447 A CB -0.497 18.446 19.000 -0.095 0.000 0.822 447 A HN 0.551 nan 8.150 nan 0.000 0.444 448 R N -0.530 119.858 120.500 -0.187 0.000 2.115 448 R HA -0.092 4.248 4.340 -0.000 0.000 0.230 448 R C 2.056 178.237 176.300 -0.199 0.000 1.111 448 R CA 1.270 57.267 56.100 -0.172 0.000 0.976 448 R CB -0.283 29.923 30.300 -0.156 0.000 0.870 448 R HN 0.687 nan 8.270 nan 0.000 0.445 449 E N 0.631 120.673 120.200 -0.263 0.000 2.085 449 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 449 E C 1.960 178.248 176.600 -0.519 0.000 0.994 449 E CA 1.151 57.383 56.400 -0.281 0.000 0.801 449 E CB -0.092 29.479 29.700 -0.216 0.000 0.743 449 E HN 0.340 nan 8.360 nan 0.000 0.453 450 I N 0.844 120.978 120.570 -0.726 0.000 2.252 450 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 450 I C 2.286 178.083 176.117 -0.533 0.000 1.102 450 I CA 0.789 61.559 61.300 -0.884 0.000 1.385 450 I CB -0.112 37.423 38.000 -0.776 0.000 1.064 450 I HN 0.104 nan 8.210 nan 0.000 0.414 451 L N -0.084 120.954 121.223 -0.308 0.000 2.079 451 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 451 L C 2.702 179.502 176.870 -0.116 0.000 1.081 451 L CA 1.558 56.294 54.840 -0.172 0.000 0.752 451 L CB -0.880 41.114 42.059 -0.107 0.000 0.896 451 L HN 0.363 nan 8.230 nan 0.000 0.433 452 H N 0.114 119.073 119.070 -0.186 0.000 2.357 452 H HA -0.088 4.468 4.556 -0.000 0.000 0.301 452 H C 2.131 177.395 175.328 -0.106 0.000 1.082 452 H CA 1.418 57.397 56.048 -0.115 0.000 1.342 452 H CB 0.058 29.770 29.762 -0.083 0.000 1.389 452 H HN 0.242 nan 8.280 nan 0.000 0.511 453 A N 0.434 123.078 122.820 -0.293 0.000 1.978 453 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 453 A C 2.241 179.722 177.584 -0.172 0.000 1.170 453 A CA 1.763 53.641 52.037 -0.265 0.000 0.636 453 A CB -0.624 18.188 19.000 -0.314 0.000 0.810 453 A HN 0.564 nan 8.150 nan 0.000 0.448 454 M N -1.337 118.150 119.600 -0.187 0.000 2.561 454 M HA 0.167 4.647 4.480 -0.000 0.000 0.238 454 M C 1.309 177.569 176.300 -0.067 0.000 1.131 454 M CA 0.726 55.992 55.300 -0.056 0.000 1.046 454 M CB 0.193 32.769 32.600 -0.040 0.000 1.532 454 M HN 0.600 nan 8.290 nan 0.000 0.497 455 G N 1.062 109.783 108.800 -0.131 0.000 2.153 455 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.252 455 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.252 455 G C 0.896 175.768 174.900 -0.046 0.000 0.994 455 G CA 0.418 45.457 45.100 -0.102 0.000 0.698 455 G HN 0.457 nan 8.290 nan 0.000 0.521 456 K N -0.543 119.832 120.400 -0.043 0.000 2.243 456 K HA 0.262 4.582 4.320 -0.000 0.000 0.201 456 K C 1.394 177.995 176.600 0.001 0.000 1.051 456 K CA 1.317 57.591 56.287 -0.021 0.000 0.970 456 K CB 0.305 32.786 32.500 -0.032 0.000 0.755 456 K HN 0.826 nan 8.250 nan 0.000 0.465 457 I N -1.619 118.968 120.570 0.028 0.000 2.865 457 I HA 0.438 4.608 4.170 -0.000 0.000 0.302 457 I C -2.955 173.251 176.117 0.150 0.000 1.140 457 I CA -2.945 58.390 61.300 0.059 0.000 1.021 457 I CB 2.344 40.363 38.000 0.032 0.000 1.233 457 I HN -0.254 nan 8.210 nan 0.000 0.427 458 P HA 0.114 nan 4.420 nan 0.000 0.274 458 P C 0.198 177.521 177.300 0.038 0.000 1.246 458 P CA -0.021 63.160 63.100 0.136 0.000 0.795 458 P CB 1.099 32.839 31.700 0.066 0.000 1.006 459 E N 0.283 120.419 120.200 -0.108 0.000 2.160 459 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 459 E C 1.085 177.601 176.600 -0.141 0.000 0.991 459 E CA 1.301 57.448 56.400 -0.421 0.000 0.810 459 E CB -0.194 29.337 29.700 -0.282 0.000 0.742 459 E HN 0.357 nan 8.360 nan 0.000 0.466 460 D N 0.243 120.621 120.400 -0.038 0.000 2.265 460 D HA -0.137 4.503 4.640 -0.000 0.000 0.208 460 D C 0.995 177.316 176.300 0.035 0.000 0.977 460 D CA 0.912 54.921 54.000 0.015 0.000 0.871 460 D CB 0.096 40.908 40.800 0.020 0.000 0.925 460 D HN 0.285 nan 8.370 nan 0.000 0.485 461 E N -1.044 119.162 120.200 0.010 0.000 2.481 461 E HA 0.137 4.487 4.350 -0.000 0.000 0.198 461 E C 1.837 178.432 176.600 -0.008 0.000 1.027 461 E CA -0.271 56.139 56.400 0.016 0.000 0.900 461 E CB 0.525 30.231 29.700 0.010 0.000 0.993 461 E HN 0.310 nan 8.360 nan 0.000 0.482 462 I N 0.002 120.552 120.570 -0.032 0.000 2.179 462 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 462 I C 0.449 176.438 176.117 -0.213 0.000 1.088 462 I CA 1.148 62.364 61.300 -0.140 0.000 1.357 462 I CB 0.060 37.965 38.000 -0.158 0.000 1.051 462 I HN 0.107 nan 8.210 nan 0.000 0.409 463 W N 1.585 122.881 121.300 -0.006 0.000 2.335 463 W HA 0.479 5.139 4.660 -0.000 0.000 0.307 463 W C 0.126 176.650 176.519 0.009 0.000 1.117 463 W CA -0.227 57.126 57.345 0.013 0.000 1.228 463 W CB 0.570 30.040 29.460 0.016 0.000 1.240 463 W HN -0.030 nan 8.180 nan 0.000 0.468 464 Q N 2.683 122.601 119.800 0.197 0.000 2.340 464 Q HA 0.420 4.760 4.340 -0.000 0.000 0.268 464 Q C 0.148 176.225 176.000 0.128 0.000 1.031 464 Q CA -0.549 55.327 55.803 0.122 0.000 0.804 464 Q CB 1.590 30.364 28.738 0.060 0.000 1.286 464 Q HN 0.544 nan 8.270 nan 0.000 0.448 465 S N 2.431 118.190 115.700 0.097 0.000 2.593 465 S HA 0.284 4.754 4.470 -0.000 0.000 0.269 465 S C -0.221 174.422 174.600 0.071 0.000 1.334 465 S CA -0.564 57.684 58.200 0.079 0.000 1.015 465 S CB 1.343 64.573 63.200 0.050 0.000 0.912 465 S HN 0.671 nan 8.310 nan 0.000 0.541 466 E N 1.008 121.251 120.200 0.072 0.000 2.199 466 E HA 0.577 4.927 4.350 -0.000 0.000 0.265 466 E C -2.804 173.827 176.600 0.052 0.000 0.882 466 E CA -2.134 54.306 56.400 0.065 0.000 0.759 466 E CB 1.038 30.789 29.700 0.085 0.000 1.148 466 E HN 0.545 nan 8.360 nan 0.000 0.412 467 P HA 0.085 nan 4.420 nan 0.000 0.269 467 P C -0.780 176.540 177.300 0.033 0.000 1.209 467 P CA -0.231 62.888 63.100 0.031 0.000 0.776 467 P CB 0.536 32.251 31.700 0.025 0.000 0.876 468 E N 1.506 121.723 120.200 0.028 0.000 2.414 468 E HA 0.086 4.436 4.350 -0.000 0.000 0.263 468 E C -0.081 176.531 176.600 0.020 0.000 1.000 468 E CA -0.263 56.153 56.400 0.027 0.000 0.914 468 E CB 0.393 30.106 29.700 0.022 0.000 0.948 468 E HN 0.375 nan 8.360 nan 0.000 0.444 469 S N 2.894 118.603 115.700 0.015 0.000 2.552 469 S HA -0.041 4.429 4.470 -0.000 0.000 0.289 469 S C 1.172 175.776 174.600 0.008 0.000 1.304 469 S CA -0.118 58.088 58.200 0.010 0.000 1.063 469 S CB 0.813 64.013 63.200 0.001 0.000 0.848 469 S HN 0.529 nan 8.310 nan 0.000 0.499 470 V N 1.997 121.917 119.914 0.010 0.000 2.788 470 V HA 0.048 4.168 4.120 -0.000 0.000 0.251 470 V C 1.577 177.674 176.094 0.006 0.000 1.068 470 V CA 1.472 63.777 62.300 0.008 0.000 1.090 470 V CB -0.624 31.205 31.823 0.010 0.000 0.710 470 V HN 0.820 nan 8.190 nan 0.000 0.467 471 D N 1.118 121.522 120.400 0.007 0.000 2.194 471 D HA 0.058 4.698 4.640 -0.000 0.000 0.204 471 D C 0.789 177.085 176.300 -0.006 0.000 0.964 471 D CA 1.268 55.271 54.000 0.006 0.000 0.846 471 D CB 0.615 41.424 40.800 0.014 0.000 0.962 471 D HN 0.510 nan 8.370 nan 0.000 0.490 472 V N 3.716 123.621 119.914 -0.015 0.000 2.313 472 V HA 0.199 4.319 4.120 -0.000 0.000 0.262 472 V C -2.376 173.703 176.094 -0.024 0.000 1.011 472 V CA -1.325 60.956 62.300 -0.032 0.000 0.858 472 V CB 1.195 32.981 31.823 -0.062 0.000 1.104 472 V HN -0.048 nan 8.190 nan 0.000 0.456 473 P HA 0.358 nan 4.420 nan 0.000 0.275 473 P C -0.382 176.913 177.300 -0.008 0.000 1.228 473 P CA 0.061 63.157 63.100 -0.007 0.000 0.786 473 P CB 1.567 33.265 31.700 -0.003 0.000 0.927 474 A N 3.324 126.145 122.820 0.001 0.000 2.274 474 A HA 0.314 4.634 4.320 -0.000 0.000 0.309 474 A C 0.285 177.871 177.584 0.004 0.000 1.226 474 A CA -0.563 51.478 52.037 0.006 0.000 0.853 474 A CB 0.273 19.288 19.000 0.025 0.000 1.146 474 A HN 0.464 nan 8.150 nan 0.000 0.518 475 Q N 2.770 122.570 119.800 -0.000 0.000 2.293 475 Q HA 0.320 4.660 4.340 -0.000 0.000 0.251 475 Q C -2.271 173.729 176.000 0.000 0.000 0.930 475 Q CA -1.666 54.136 55.803 -0.002 0.000 0.893 475 Q CB 0.985 29.720 28.738 -0.006 0.000 1.215 475 Q HN 0.558 nan 8.270 nan 0.000 0.425 476 P HA 0.131 nan 4.420 nan 0.000 0.272 476 P C -0.336 176.962 177.300 -0.005 0.000 1.223 476 P CA -0.235 62.863 63.100 -0.004 0.000 0.784 476 P CB 0.694 32.391 31.700 -0.005 0.000 0.923 477 I N 2.356 122.920 120.570 -0.010 0.000 2.352 477 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 477 I C 1.233 177.344 176.117 -0.009 0.000 1.036 477 I CA 0.235 61.529 61.300 -0.009 0.000 1.336 477 I CB 0.072 38.059 38.000 -0.022 0.000 1.407 477 I HN 0.414 nan 8.210 nan 0.000 0.497 478 T N 2.158 116.716 114.554 0.006 0.000 2.932 478 T HA 0.810 5.159 4.350 -0.000 0.000 0.289 478 T C 0.013 174.716 174.700 0.005 0.000 1.039 478 T CA -0.681 61.422 62.100 0.006 0.000 1.024 478 T CB 2.171 71.049 68.868 0.017 0.000 1.090 478 T HN 0.632 nan 8.240 nan 0.000 0.496 479 T N -1.181 113.368 114.554 -0.009 0.000 2.916 479 T HA 0.725 5.075 4.350 -0.000 0.000 0.292 479 T C 0.244 174.948 174.700 0.006 0.000 1.055 479 T CA -0.782 61.302 62.100 -0.027 0.000 1.009 479 T CB 1.309 70.130 68.868 -0.078 0.000 1.118 479 T HN 1.003 nan 8.240 nan 0.000 0.497 480 T N -0.549 114.012 114.554 0.012 0.000 2.918 480 T HA 0.404 4.754 4.350 -0.000 0.000 0.283 480 T C 0.838 175.593 174.700 0.092 0.000 1.001 480 T CA -0.869 61.274 62.100 0.072 0.000 1.041 480 T CB 0.668 69.586 68.868 0.083 0.000 1.028 480 T HN 0.533 nan 8.240 nan 0.000 0.511 481 F N 1.012 120.983 119.950 0.035 0.000 2.120 481 F HA -0.056 4.471 4.527 -0.000 0.000 0.300 481 F C 1.881 177.744 175.800 0.106 0.000 1.095 481 F CA 1.487 59.544 58.000 0.094 0.000 1.249 481 F CB -0.455 38.606 39.000 0.101 0.000 0.995 481 F HN 0.521 nan 8.300 nan 0.000 0.480 482 L N -0.073 121.268 121.223 0.196 0.000 2.056 482 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 482 L C 2.392 179.258 176.870 -0.007 0.000 1.078 482 L CA 1.600 56.503 54.840 0.105 0.000 0.749 482 L CB -0.728 41.426 42.059 0.160 0.000 0.901 482 L HN 0.138 nan 8.230 nan 0.000 0.433 483 E N -0.206 119.978 120.200 -0.026 0.000 2.118 483 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 483 E C 2.364 178.851 176.600 -0.189 0.000 0.992 483 E CA 1.088 57.429 56.400 -0.099 0.000 0.804 483 E CB 0.018 29.647 29.700 -0.118 0.000 0.741 483 E HN 0.372 nan 8.360 nan 0.000 0.458 484 R N -0.558 119.769 120.500 -0.289 0.000 2.090 484 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 484 R C 1.730 177.653 176.300 -0.629 0.000 1.110 484 R CA 1.005 56.801 56.100 -0.506 0.000 0.973 484 R CB 0.067 29.947 30.300 -0.701 0.000 0.869 484 R HN 0.295 nan 8.270 nan 0.000 0.440 485 H N -0.884 117.991 119.070 -0.324 0.000 2.874 485 H HA 0.206 4.762 4.556 -0.000 0.000 0.264 485 H C 0.336 175.558 175.328 -0.177 0.000 1.007 485 H CA -0.188 55.671 56.048 -0.314 0.000 1.207 485 H CB 0.488 29.911 29.762 -0.564 0.000 1.487 485 H HN 0.023 nan 8.280 nan 0.000 0.505 486 L N 4.557 125.756 121.223 -0.039 0.000 2.490 486 L HA 0.051 4.391 4.340 -0.000 0.000 0.274 486 L C -1.665 175.191 176.870 -0.024 0.000 1.201 486 L CA -1.386 53.455 54.840 0.002 0.000 0.869 486 L CB 0.370 42.460 42.059 0.051 0.000 1.123 486 L HN -0.017 nan 8.230 nan 0.000 0.484 487 P HA 0.096 nan 4.420 nan 0.000 0.274 487 P C -0.566 176.692 177.300 -0.070 0.000 1.231 487 P CA -0.551 62.520 63.100 -0.049 0.000 0.790 487 P CB 0.997 32.667 31.700 -0.050 0.000 0.951 488 S N 0.504 116.143 115.700 -0.102 0.000 2.617 488 S HA 0.080 4.550 4.470 -0.000 0.000 0.259 488 S C 1.518 175.984 174.600 -0.223 0.000 1.301 488 S CA -0.549 57.566 58.200 -0.143 0.000 0.984 488 S CB -0.345 62.766 63.200 -0.148 0.000 0.954 488 S HN 0.223 nan 8.310 nan 0.000 0.572 489 V N 2.352 122.063 119.914 -0.339 0.000 2.261 489 V HA -0.069 4.051 4.120 -0.000 0.000 0.246 489 V C -0.435 175.242 176.094 -0.696 0.000 1.047 489 V CA 1.910 63.917 62.300 -0.489 0.000 1.015 489 V CB -1.911 29.597 31.823 -0.525 0.000 0.642 489 V HN 0.805 nan 8.190 nan 0.000 0.446 490 P HA -0.106 nan 4.420 nan 0.000 0.220 490 P C 1.697 178.803 177.300 -0.324 0.000 1.148 490 P CA 1.939 64.613 63.100 -0.710 0.000 0.803 490 P CB -0.256 31.136 31.700 -0.513 0.000 0.782 491 G N 0.448 109.096 108.800 -0.252 0.000 2.402 491 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 491 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 491 G C 1.518 176.343 174.900 -0.125 0.000 1.162 491 G CA 0.392 45.406 45.100 -0.145 0.000 0.777 491 G HN 0.247 nan 8.290 nan 0.000 0.539 492 L N 0.215 121.349 121.223 -0.149 0.000 2.093 492 L HA 0.180 4.520 4.340 -0.000 0.000 0.208 492 L C 2.640 179.447 176.870 -0.105 0.000 1.085 492 L CA 1.122 55.897 54.840 -0.108 0.000 0.755 492 L CB -0.177 41.822 42.059 -0.101 0.000 0.904 492 L HN 0.175 nan 8.230 nan 0.000 0.435 493 L N -1.052 120.079 121.223 -0.153 0.000 2.141 493 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 493 L C 2.683 179.508 176.870 -0.076 0.000 1.094 493 L CA 0.982 55.751 54.840 -0.118 0.000 0.763 493 L CB -0.479 41.480 42.059 -0.167 0.000 0.908 493 L HN 0.184 nan 8.230 nan 0.000 0.437 494 R N -0.424 120.026 120.500 -0.083 0.000 2.115 494 R HA -0.101 4.239 4.340 -0.000 0.000 0.226 494 R C 2.198 178.477 176.300 -0.036 0.000 1.100 494 R CA 0.922 56.993 56.100 -0.049 0.000 0.980 494 R CB -0.213 30.059 30.300 -0.047 0.000 0.875 494 R HN 0.218 nan 8.270 nan 0.000 0.445 495 L N 0.700 121.898 121.223 -0.043 0.000 2.156 495 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 495 L C 1.022 177.878 176.870 -0.023 0.000 1.095 495 L CA 1.105 55.927 54.840 -0.030 0.000 0.770 495 L CB 0.028 42.069 42.059 -0.031 0.000 0.914 495 L HN 0.017 nan 8.230 nan 0.000 0.439 496 I N 0.000 120.553 120.570 -0.028 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.289 61.300 -0.019 0.000 1.566 496 I CB 0.000 37.987 38.000 -0.021 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494