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 2v61_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 0.000 175.496 175.510 -0.024 0.000 1.280 3 N CA 0.000 52.922 53.050 -0.212 0.000 0.885 3 N CB 0.000 38.399 38.487 -0.146 0.000 1.341 4 K N 1.948 122.353 120.400 0.009 0.000 2.183 4 K HA 0.522 4.842 4.320 0.000 0.000 0.274 4 K C 0.117 176.755 176.600 0.062 0.000 1.009 4 K CA -0.367 55.941 56.287 0.035 0.000 0.888 4 K CB 1.923 34.431 32.500 0.013 0.000 1.078 4 K HN 0.563 nan 8.250 nan 0.000 0.459 5 C N -1.007 118.336 119.300 0.070 0.000 3.336 5 C HA 0.416 4.876 4.460 0.000 0.000 0.339 5 C C 0.784 175.809 174.990 0.059 0.000 1.468 5 C CA -0.773 58.286 59.018 0.070 0.000 1.287 5 C CB 0.992 28.788 27.740 0.092 0.000 1.682 5 C HN 0.781 nan 8.230 nan 0.000 0.451 6 D N 0.210 120.648 120.400 0.063 0.000 2.149 6 D HA 0.138 4.778 4.640 0.000 0.000 0.206 6 D C 0.285 176.651 176.300 0.109 0.000 0.967 6 D CA 1.682 55.729 54.000 0.078 0.000 0.848 6 D CB 0.295 41.140 40.800 0.075 0.000 0.998 6 D HN 0.478 nan 8.370 nan 0.000 0.474 7 V N 1.411 121.379 119.914 0.091 0.000 2.623 7 V HA 0.248 4.368 4.120 0.000 0.000 0.304 7 V C -0.203 175.924 176.094 0.055 0.000 1.054 7 V CA -0.834 61.523 62.300 0.094 0.000 0.882 7 V CB 2.816 34.683 31.823 0.073 0.000 1.002 7 V HN -0.245 nan 8.190 nan 0.000 0.424 8 V N 5.211 125.152 119.914 0.045 0.000 2.407 8 V HA 0.428 4.548 4.120 0.000 0.000 0.278 8 V C -0.083 176.004 176.094 -0.012 0.000 1.037 8 V CA -0.424 61.873 62.300 -0.004 0.000 0.900 8 V CB 1.870 33.685 31.823 -0.013 0.000 0.983 8 V HN 0.630 nan 8.190 nan 0.000 0.459 9 V N 6.170 126.062 119.914 -0.037 0.000 2.370 9 V HA 0.344 4.464 4.120 0.000 0.000 0.283 9 V C -0.040 176.026 176.094 -0.047 0.000 1.023 9 V CA -0.564 61.719 62.300 -0.028 0.000 0.857 9 V CB 1.814 33.624 31.823 -0.022 0.000 0.985 9 V HN 0.606 nan 8.190 nan 0.000 0.443 10 V N 4.530 124.430 119.914 -0.023 0.000 2.385 10 V HA 0.813 4.933 4.120 0.000 0.000 0.269 10 V C 0.670 176.765 176.094 0.001 0.000 1.043 10 V CA 0.384 62.669 62.300 -0.024 0.000 0.906 10 V CB 0.525 32.351 31.823 0.005 0.000 0.995 10 V HN 1.270 nan 8.190 nan 0.000 0.467 11 G N 3.660 112.448 108.800 -0.021 0.000 3.355 11 G HA2 0.171 4.131 3.960 0.000 0.000 0.686 11 G HA3 0.171 4.131 3.960 0.000 0.000 0.686 11 G C 0.091 174.991 174.900 -0.001 0.000 1.097 11 G CA -0.496 44.605 45.100 0.001 0.000 0.881 11 G HN 1.275 nan 8.290 nan 0.000 0.550 12 G N 0.944 109.741 108.800 -0.005 0.000 4.291 12 G HA2 0.689 4.649 3.960 0.000 0.000 0.304 12 G HA3 0.689 4.649 3.960 0.000 0.000 0.304 12 G C 0.893 175.807 174.900 0.023 0.000 1.264 12 G CA 0.917 46.016 45.100 -0.002 0.000 1.039 12 G HN 1.308 nan 8.290 nan 0.000 0.578 13 G N -0.091 108.734 108.800 0.042 0.000 2.553 13 G HA2 0.328 4.288 3.960 0.000 0.000 0.278 13 G HA3 0.328 4.288 3.960 0.000 0.000 0.278 13 G C 1.205 176.131 174.900 0.043 0.000 1.349 13 G CA -0.742 44.393 45.100 0.058 0.000 1.037 13 G HN 0.156 nan 8.290 nan 0.000 0.508 14 I N -0.569 120.030 120.570 0.048 0.000 2.264 14 I HA -0.216 3.954 4.170 0.000 0.000 0.248 14 I C 3.003 179.143 176.117 0.038 0.000 1.111 14 I CA 1.604 62.925 61.300 0.035 0.000 1.382 14 I CB -0.087 37.937 38.000 0.040 0.000 1.060 14 I HN 0.468 nan 8.210 nan 0.000 0.418 15 S N 0.482 116.217 115.700 0.058 0.000 2.355 15 S HA -0.108 4.362 4.470 0.000 0.000 0.222 15 S C 2.116 176.742 174.600 0.043 0.000 1.031 15 S CA 1.539 59.777 58.200 0.063 0.000 0.993 15 S CB -0.569 62.687 63.200 0.094 0.000 0.859 15 S HN 0.563 nan 8.310 nan 0.000 0.453 16 G N 1.575 110.399 108.800 0.040 0.000 2.418 16 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 16 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 16 G C 1.454 176.356 174.900 0.004 0.000 1.158 16 G CA 0.959 46.072 45.100 0.022 0.000 0.771 16 G HN 0.389 nan 8.290 nan 0.000 0.545 17 M N 1.209 120.810 119.600 0.001 0.000 2.117 17 M HA 0.072 4.552 4.480 0.000 0.000 0.262 17 M C 3.005 179.296 176.300 -0.014 0.000 1.065 17 M CA 1.243 56.534 55.300 -0.014 0.000 1.114 17 M CB -1.319 31.270 32.600 -0.018 0.000 1.361 17 M HN 0.315 nan 8.290 nan 0.000 0.408 18 A N 0.151 122.968 122.820 -0.004 0.000 1.902 18 A HA 0.023 4.343 4.320 0.000 0.000 0.217 18 A C 2.445 180.025 177.584 -0.006 0.000 1.181 18 A CA 2.062 54.097 52.037 -0.004 0.000 0.623 18 A CB -0.872 18.131 19.000 0.006 0.000 0.818 18 A HN 0.469 nan 8.150 nan 0.000 0.443 19 A N -0.077 122.740 122.820 -0.005 0.000 1.877 19 A HA 0.174 4.494 4.320 0.000 0.000 0.216 19 A C 2.529 180.107 177.584 -0.011 0.000 1.186 19 A CA 2.106 54.134 52.037 -0.015 0.000 0.620 19 A CB -1.087 17.906 19.000 -0.012 0.000 0.822 19 A HN 1.048 nan 8.150 nan 0.000 0.443 20 A N -0.210 122.606 122.820 -0.007 0.000 1.902 20 A HA -0.188 4.132 4.320 0.000 0.000 0.217 20 A C 2.150 179.748 177.584 0.024 0.000 1.181 20 A CA 2.087 54.124 52.037 0.001 0.000 0.623 20 A CB -0.496 18.493 19.000 -0.018 0.000 0.818 20 A HN 0.566 nan 8.150 nan 0.000 0.443 21 K N -0.478 119.926 120.400 0.006 0.000 2.026 21 K HA -0.109 4.211 4.320 0.000 0.000 0.208 21 K C 2.000 178.638 176.600 0.063 0.000 1.048 21 K CA 1.538 57.841 56.287 0.027 0.000 0.929 21 K CB -0.316 32.182 32.500 -0.003 0.000 0.713 21 K HN 0.458 nan 8.250 nan 0.000 0.439 22 L N 1.105 122.342 121.223 0.024 0.000 2.017 22 L HA -0.191 4.149 4.340 0.000 0.000 0.208 22 L C 2.182 179.059 176.870 0.011 0.000 1.073 22 L CA 1.189 56.035 54.840 0.010 0.000 0.745 22 L CB -0.140 41.909 42.059 -0.017 0.000 0.894 22 L HN 0.260 nan 8.230 nan 0.000 0.432 23 L N -1.153 120.078 121.223 0.013 0.000 2.056 23 L HA -0.266 4.074 4.340 0.000 0.000 0.207 23 L C 2.593 179.483 176.870 0.034 0.000 1.078 23 L CA 1.524 56.367 54.840 0.005 0.000 0.749 23 L CB -0.837 41.222 42.059 0.000 0.000 0.901 23 L HN 0.409 nan 8.230 nan 0.000 0.433 24 H N 0.315 119.373 119.070 -0.021 0.000 2.319 24 H HA -0.212 4.344 4.556 0.000 0.000 0.299 24 H C 1.796 177.116 175.328 -0.014 0.000 1.092 24 H CA 2.113 58.152 56.048 -0.014 0.000 1.302 24 H CB 0.022 29.776 29.762 -0.013 0.000 1.373 24 H HN 0.214 nan 8.280 nan 0.000 0.497 25 D N -0.594 119.822 120.400 0.026 0.000 2.263 25 D HA -0.085 4.555 4.640 0.000 0.000 0.208 25 D C 1.812 178.069 176.300 -0.072 0.000 0.971 25 D CA 1.138 55.120 54.000 -0.029 0.000 0.867 25 D CB -0.162 40.659 40.800 0.034 0.000 0.929 25 D HN 0.341 nan 8.370 nan 0.000 0.492 26 S N -1.198 114.465 115.700 -0.060 0.000 2.558 26 S HA 0.257 4.727 4.470 0.000 0.000 0.217 26 S C 1.561 176.117 174.600 -0.073 0.000 0.975 26 S CA 0.573 58.740 58.200 -0.056 0.000 0.912 26 S CB 0.776 63.950 63.200 -0.043 0.000 0.776 26 S HN 0.438 nan 8.310 nan 0.000 0.526 27 G N 0.996 109.726 108.800 -0.118 0.000 2.163 27 G HA2 -0.183 3.777 3.960 0.000 0.000 0.213 27 G HA3 -0.183 3.777 3.960 0.000 0.000 0.213 27 G C -0.046 174.804 174.900 -0.083 0.000 0.991 27 G CA -0.394 44.633 45.100 -0.122 0.000 0.653 27 G HN 0.406 nan 8.290 nan 0.000 0.518 28 L N 0.639 121.826 121.223 -0.059 0.000 2.399 28 L HA 0.413 4.753 4.340 0.000 0.000 0.266 28 L C 0.176 177.051 176.870 0.009 0.000 1.114 28 L CA -1.004 53.827 54.840 -0.014 0.000 0.804 28 L CB 0.600 42.660 42.059 0.001 0.000 1.146 28 L HN 0.009 nan 8.230 nan 0.000 0.451 29 N N 1.994 120.713 118.700 0.032 0.000 2.406 29 N HA 0.269 5.009 4.740 0.000 0.000 0.251 29 N C -0.669 174.883 175.510 0.070 0.000 1.069 29 N CA -0.104 52.982 53.050 0.059 0.000 0.947 29 N CB 1.529 40.047 38.487 0.051 0.000 1.111 29 N HN 0.354 nan 8.380 nan 0.000 0.497 30 V N 0.261 120.228 119.914 0.088 0.000 2.715 30 V HA 0.741 4.861 4.120 0.000 0.000 0.310 30 V C -0.116 176.004 176.094 0.043 0.000 1.054 30 V CA -0.706 61.631 62.300 0.062 0.000 0.928 30 V CB 1.975 33.833 31.823 0.058 0.000 1.007 30 V HN 0.154 nan 8.190 nan 0.000 0.437 31 V N 3.737 123.657 119.914 0.010 0.000 2.588 31 V HA 0.539 4.659 4.120 0.000 0.000 0.304 31 V C -0.351 175.690 176.094 -0.087 0.000 1.042 31 V CA -0.527 61.751 62.300 -0.036 0.000 0.877 31 V CB 2.074 33.869 31.823 -0.047 0.000 0.996 31 V HN 0.845 nan 8.190 nan 0.000 0.425 32 V N 6.093 125.948 119.914 -0.099 0.000 2.370 32 V HA 0.459 4.579 4.120 0.000 0.000 0.283 32 V C -0.215 175.783 176.094 -0.159 0.000 1.023 32 V CA -0.447 61.789 62.300 -0.106 0.000 0.857 32 V CB 1.513 33.294 31.823 -0.070 0.000 0.985 32 V HN 0.612 nan 8.190 nan 0.000 0.443 33 L N 4.576 125.687 121.223 -0.185 0.000 2.262 33 L HA 0.584 4.924 4.340 0.000 0.000 0.288 33 L C -0.170 176.614 176.870 -0.144 0.000 1.035 33 L CA -0.349 54.360 54.840 -0.218 0.000 0.820 33 L CB 1.440 43.327 42.059 -0.286 0.000 1.204 33 L HN 0.636 nan 8.230 nan 0.000 0.424 34 E N 2.384 122.505 120.200 -0.131 0.000 2.158 34 E HA 0.480 4.830 4.350 0.000 0.000 0.271 34 E C 0.341 176.835 176.600 -0.176 0.000 0.911 34 E CA -0.307 56.020 56.400 -0.123 0.000 0.767 34 E CB 2.054 31.705 29.700 -0.081 0.000 1.120 34 E HN 0.553 nan 8.360 nan 0.000 0.405 35 A N 5.457 128.109 122.820 -0.280 0.000 1.902 35 A HA -0.035 4.285 4.320 0.000 0.000 0.217 35 A C 1.062 178.415 177.584 -0.385 0.000 1.181 35 A CA 0.985 52.721 52.037 -0.502 0.000 0.623 35 A CB -0.213 18.104 19.000 -1.140 0.000 0.818 35 A HN 0.613 nan 8.150 nan 0.000 0.443 36 R N 0.029 120.382 120.500 -0.245 0.000 2.583 36 R HA 0.215 4.555 4.340 0.000 0.000 0.268 36 R C 0.196 176.458 176.300 -0.064 0.000 1.101 36 R CA 0.178 56.215 56.100 -0.106 0.000 1.180 36 R CB 0.158 30.438 30.300 -0.034 0.000 1.128 36 R HN 0.477 nan 8.270 nan 0.000 0.568 37 D N 0.522 120.904 120.400 -0.030 0.000 2.324 37 D HA -0.049 4.591 4.640 0.000 0.000 0.235 37 D C -0.057 176.245 176.300 0.005 0.000 1.095 37 D CA 0.176 54.169 54.000 -0.012 0.000 0.871 37 D CB -0.031 40.768 40.800 -0.002 0.000 0.906 37 D HN 0.442 nan 8.370 nan 0.000 0.522 38 R N -1.203 119.302 120.500 0.008 0.000 2.764 38 R HA 0.577 4.917 4.340 0.000 0.000 0.270 38 R C -0.638 175.684 176.300 0.038 0.000 1.014 38 R CA -1.102 55.021 56.100 0.039 0.000 0.904 38 R CB 1.254 31.603 30.300 0.081 0.000 1.236 38 R HN -0.097 nan 8.270 nan 0.000 0.466 39 V N -1.483 118.461 119.914 0.050 0.000 3.262 39 V HA 0.847 4.967 4.120 0.000 0.000 0.313 39 V C 0.934 177.084 176.094 0.095 0.000 1.070 39 V CA 0.457 62.786 62.300 0.049 0.000 1.049 39 V CB 0.788 32.624 31.823 0.022 0.000 1.157 39 V HN 1.197 nan 8.190 nan 0.000 0.454 40 G N -0.756 108.097 108.800 0.089 0.000 2.307 40 G HA2 0.118 4.079 3.960 0.000 0.000 0.210 40 G HA3 0.118 4.079 3.960 0.000 0.000 0.210 40 G C 1.655 176.644 174.900 0.149 0.000 1.005 40 G CA 0.774 45.947 45.100 0.121 0.000 0.634 40 G HN 2.627 nan 8.290 nan 0.000 0.496 41 G N 0.594 109.494 108.800 0.166 0.000 2.646 41 G HA2 -0.419 3.541 3.960 0.000 0.000 0.324 41 G HA3 -0.419 3.541 3.960 0.000 0.000 0.324 41 G C 0.989 176.049 174.900 0.268 0.000 1.195 41 G CA 1.542 46.759 45.100 0.194 0.000 0.976 41 G HN 1.188 nan 8.290 nan 0.000 0.546 42 R N 1.810 122.375 120.500 0.107 0.000 2.323 42 R HA 0.206 4.546 4.340 0.000 0.000 0.198 42 R C 1.130 177.324 176.300 -0.177 0.000 0.988 42 R CA 1.072 57.056 56.100 -0.193 0.000 1.041 42 R CB -0.173 29.991 30.300 -0.225 0.000 0.926 42 R HN 0.712 nan 8.270 nan 0.000 0.476 43 T N -2.433 112.170 114.554 0.083 0.000 2.867 43 T HA 0.360 4.710 4.350 0.000 0.000 0.282 43 T C -0.939 173.990 174.700 0.381 0.000 1.000 43 T CA -0.623 61.579 62.100 0.170 0.000 1.042 43 T CB 1.591 70.526 68.868 0.112 0.000 0.973 43 T HN 0.109 nan 8.240 nan 0.000 0.465 44 Y N 1.188 121.639 120.300 0.250 0.000 2.313 44 Y HA 0.418 4.968 4.550 0.000 0.000 0.320 44 Y C -1.190 174.825 175.900 0.191 0.000 1.171 44 Y CA -0.796 57.450 58.100 0.245 0.000 1.093 44 Y CB 1.494 40.161 38.460 0.346 0.000 1.224 44 Y HN 0.891 nan 8.280 nan 0.000 0.421 45 T N 7.696 122.089 114.554 -0.268 0.000 2.756 45 T HA 0.418 4.768 4.350 0.000 0.000 0.290 45 T C -0.891 173.485 174.700 -0.539 0.000 0.985 45 T CA -0.400 61.534 62.100 -0.276 0.000 0.955 45 T CB 0.653 69.468 68.868 -0.089 0.000 0.930 45 T HN 0.557 nan 8.240 nan 0.000 0.451 46 L N 4.406 125.332 121.223 -0.494 0.000 2.312 46 L HA 0.647 4.987 4.340 0.000 0.000 0.281 46 L C -0.311 176.485 176.870 -0.123 0.000 1.070 46 L CA -0.185 54.440 54.840 -0.357 0.000 0.805 46 L CB 0.540 42.480 42.059 -0.198 0.000 1.174 46 L HN 0.432 nan 8.230 nan 0.000 0.434 47 R N 3.530 123.983 120.500 -0.078 0.000 2.437 47 R HA 0.644 4.984 4.340 0.000 0.000 0.310 47 R C -1.047 175.229 176.300 -0.040 0.000 0.955 47 R CA -0.580 55.499 56.100 -0.035 0.000 0.851 47 R CB 1.300 31.590 30.300 -0.017 0.000 1.161 47 R HN 0.891 nan 8.270 nan 0.000 0.446 48 N N -0.944 117.715 118.700 -0.069 0.000 3.020 48 N HA 0.082 4.822 4.740 0.000 0.000 0.248 48 N C -0.117 175.328 175.510 -0.108 0.000 1.480 48 N CA -0.855 52.151 53.050 -0.074 0.000 0.874 48 N CB 0.654 39.102 38.487 -0.064 0.000 1.433 48 N HN 0.154 nan 8.380 nan 0.000 0.530 49 Q N -0.199 119.548 119.800 -0.089 0.000 2.167 49 Q HA 0.027 4.367 4.340 0.000 0.000 0.202 49 Q C 0.679 176.632 176.000 -0.079 0.000 0.970 49 Q CA 1.388 57.155 55.803 -0.061 0.000 0.855 49 Q CB -0.043 28.669 28.738 -0.042 0.000 0.911 49 Q HN 0.553 nan 8.270 nan 0.000 0.438 50 K N -0.082 120.176 120.400 -0.238 0.000 2.155 50 K HA -0.055 4.265 4.320 0.000 0.000 0.203 50 K C 1.951 178.328 176.600 -0.371 0.000 1.052 50 K CA 1.323 57.364 56.287 -0.410 0.000 0.948 50 K CB 0.072 31.982 32.500 -0.984 0.000 0.728 50 K HN 0.282 nan 8.250 nan 0.000 0.448 51 V N -2.915 116.745 119.914 -0.423 0.000 3.645 51 V HA 0.221 4.341 4.120 0.000 0.000 0.275 51 V C 1.412 177.095 176.094 -0.685 0.000 1.356 51 V CA 0.553 62.564 62.300 -0.481 0.000 1.051 51 V CB 0.192 31.765 31.823 -0.417 0.000 0.828 51 V HN 0.253 nan 8.190 nan 0.000 0.441 52 K N 0.581 120.645 120.400 -0.561 0.000 11.046 52 K HA -0.306 4.014 4.320 0.000 0.000 0.528 52 K C 0.142 176.633 176.600 -0.182 0.000 0.384 52 K CA 2.571 58.581 56.287 -0.463 0.000 1.939 52 K CB -1.432 30.581 32.500 -0.812 0.000 0.775 52 K HN 0.930 nan 8.250 nan 0.000 1.232 53 Y N -2.013 118.129 120.300 -0.262 0.000 2.562 53 Y HA 0.738 5.288 4.550 -0.000 0.000 0.345 53 Y C -1.152 174.703 175.900 -0.074 0.000 1.045 53 Y CA -0.816 57.198 58.100 -0.143 0.000 1.028 53 Y CB 2.055 40.452 38.460 -0.106 0.000 1.297 53 Y HN -0.013 nan 8.280 nan 0.000 0.463 54 V N 2.140 122.116 119.914 0.103 0.000 2.777 54 V HA 0.374 4.494 4.120 0.000 0.000 0.306 54 V C -1.572 174.587 176.094 0.108 0.000 1.112 54 V CA -0.643 61.722 62.300 0.109 0.000 0.917 54 V CB 1.960 33.871 31.823 0.146 0.000 1.018 54 V HN 0.919 nan 8.190 nan 0.000 0.426 55 D N 5.732 126.208 120.400 0.127 0.000 2.338 55 D HA 0.285 4.925 4.640 0.000 0.000 0.255 55 D C 0.841 177.227 176.300 0.145 0.000 1.237 55 D CA 0.236 54.297 54.000 0.100 0.000 0.883 55 D CB 1.814 42.642 40.800 0.047 0.000 1.087 55 D HN 0.519 nan 8.370 nan 0.000 0.485 56 L N 1.507 122.872 121.223 0.236 0.000 2.554 56 L HA 0.202 4.542 4.340 0.000 0.000 0.225 56 L C 1.561 178.824 176.870 0.654 0.000 1.104 56 L CA 0.084 55.161 54.840 0.396 0.000 0.866 56 L CB 0.330 42.643 42.059 0.424 0.000 1.047 56 L HN 0.318 nan 8.230 nan 0.000 0.468 57 G N -0.763 108.356 108.800 0.532 0.000 3.099 57 G HA2 0.430 4.390 3.960 0.000 0.000 0.151 57 G HA3 0.430 4.390 3.960 0.000 0.000 0.151 57 G C -0.140 174.794 174.900 0.055 0.000 1.265 57 G CA -0.080 45.166 45.100 0.243 0.000 0.981 57 G HN 0.094 nan 8.290 nan 0.000 0.601 58 G N -0.894 107.869 108.800 -0.063 0.000 2.321 58 G HA2 0.360 4.320 3.960 0.000 0.000 0.237 58 G HA3 0.360 4.320 3.960 0.000 0.000 0.237 58 G C 0.556 175.419 174.900 -0.061 0.000 1.282 58 G CA 0.867 45.925 45.100 -0.070 0.000 0.886 58 G HN 0.792 nan 8.290 nan 0.000 0.528 59 S N 1.168 116.758 115.700 -0.183 0.000 3.084 59 S HA 0.209 4.679 4.470 0.000 0.000 0.262 59 S C 0.108 174.444 174.600 -0.441 0.000 1.081 59 S CA -0.316 57.672 58.200 -0.354 0.000 0.855 59 S CB 0.069 62.882 63.200 -0.646 0.000 0.857 59 S HN 0.498 nan 8.310 nan 0.000 0.449 60 Y N 2.622 122.878 120.300 -0.073 0.000 2.299 60 Y HA 0.552 5.102 4.550 0.000 0.000 0.326 60 Y C 0.275 176.040 175.900 -0.225 0.000 1.164 60 Y CA -0.535 57.469 58.100 -0.161 0.000 1.234 60 Y CB 1.258 39.667 38.460 -0.086 0.000 1.219 60 Y HN 0.113 nan 8.280 nan 0.000 0.497 61 V N -0.371 119.420 119.914 -0.205 0.000 3.102 61 V HA 1.105 5.225 4.120 0.000 0.000 0.312 61 V C -0.317 175.586 176.094 -0.318 0.000 1.135 61 V CA -0.529 61.576 62.300 -0.326 0.000 1.022 61 V CB 1.682 33.242 31.823 -0.439 0.000 1.056 61 V HN 0.953 nan 8.190 nan 0.000 0.436 62 G N 0.239 108.810 108.800 -0.382 0.000 2.548 62 G HA2 0.700 4.660 3.960 0.000 0.000 0.301 62 G HA3 0.700 4.660 3.960 0.000 0.000 0.301 62 G C -3.451 171.288 174.900 -0.268 0.000 1.349 62 G CA -1.020 43.906 45.100 -0.290 0.000 0.792 62 G HN 0.729 nan 8.290 nan 0.000 0.481 63 P HA 0.138 nan 4.420 nan 0.000 0.266 63 P C 0.754 178.037 177.300 -0.028 0.000 1.195 63 P CA 1.957 65.014 63.100 -0.072 0.000 0.768 63 P CB 0.971 32.657 31.700 -0.023 0.000 0.838 64 T N -1.499 113.072 114.554 0.028 0.000 6.424 64 T HA -0.238 4.112 4.350 0.000 0.000 0.279 64 T C 0.211 174.961 174.700 0.085 0.000 2.176 64 T CA 0.894 63.095 62.100 0.168 0.000 3.628 64 T CB -2.674 66.422 68.868 0.381 0.000 1.165 64 T HN 0.583 nan 8.240 nan 0.000 1.080 65 Q N 1.361 121.022 119.800 -0.233 0.000 3.091 65 Q HA 0.391 4.731 4.340 0.000 0.000 0.301 65 Q C 0.856 176.765 176.000 -0.152 0.000 1.337 65 Q CA -0.500 55.063 55.803 -0.400 0.000 1.083 65 Q CB 0.270 28.572 28.738 -0.728 0.000 1.477 65 Q HN 0.480 nan 8.270 nan 0.000 0.537 66 N N 0.875 119.560 118.700 -0.025 0.000 2.354 66 N HA -0.057 4.683 4.740 0.000 0.000 0.179 66 N C 1.235 176.758 175.510 0.022 0.000 1.021 66 N CA 0.762 53.820 53.050 0.012 0.000 0.887 66 N CB 0.292 38.809 38.487 0.050 0.000 0.974 66 N HN 0.383 nan 8.380 nan 0.000 0.437 67 R N 0.561 121.078 120.500 0.029 0.000 2.057 67 R HA 0.005 4.345 4.340 0.000 0.000 0.229 67 R C 2.042 178.360 176.300 0.029 0.000 1.136 67 R CA 0.748 56.871 56.100 0.038 0.000 0.952 67 R CB -0.395 29.939 30.300 0.058 0.000 0.848 67 R HN 0.083 nan 8.270 nan 0.000 0.430 68 I N 1.335 121.918 120.570 0.021 0.000 2.286 68 I HA -0.200 3.970 4.170 0.000 0.000 0.248 68 I C 1.837 178.020 176.117 0.111 0.000 1.115 68 I CA 1.375 62.711 61.300 0.058 0.000 1.392 68 I CB -0.104 37.941 38.000 0.074 0.000 1.065 68 I HN 0.108 nan 8.210 nan 0.000 0.418 69 L N 0.123 121.397 121.223 0.084 0.000 2.046 69 L HA -0.178 4.162 4.340 0.000 0.000 0.208 69 L C 2.755 179.671 176.870 0.076 0.000 1.077 69 L CA 1.358 56.265 54.840 0.111 0.000 0.747 69 L CB -0.853 41.228 42.059 0.036 0.000 0.896 69 L HN 0.257 nan 8.230 nan 0.000 0.432 70 R N 0.726 121.251 120.500 0.042 0.000 2.066 70 R HA -0.187 4.153 4.340 0.000 0.000 0.232 70 R C 2.307 178.613 176.300 0.011 0.000 1.131 70 R CA 1.669 57.785 56.100 0.026 0.000 0.955 70 R CB -0.665 29.650 30.300 0.024 0.000 0.851 70 R HN 0.236 nan 8.270 nan 0.000 0.432 71 L N 1.234 122.459 121.223 0.003 0.000 2.012 71 L HA -0.097 4.243 4.340 0.000 0.000 0.210 71 L C 2.466 179.297 176.870 -0.065 0.000 1.073 71 L CA 2.401 57.226 54.840 -0.025 0.000 0.748 71 L CB -0.955 41.090 42.059 -0.025 0.000 0.891 71 L HN 0.261 nan 8.230 nan 0.000 0.431 72 A N -0.702 122.062 122.820 -0.093 0.000 1.902 72 A HA -0.285 4.035 4.320 0.000 0.000 0.217 72 A C 2.471 179.991 177.584 -0.107 0.000 1.181 72 A CA 2.077 53.986 52.037 -0.214 0.000 0.623 72 A CB -0.676 18.081 19.000 -0.406 0.000 0.818 72 A HN 0.524 nan 8.150 nan 0.000 0.443 73 K N -0.313 120.077 120.400 -0.017 0.000 2.057 73 K HA -0.213 4.107 4.320 0.000 0.000 0.207 73 K C 2.081 178.672 176.600 -0.016 0.000 1.049 73 K CA 1.703 57.993 56.287 0.004 0.000 0.931 73 K CB -0.186 32.331 32.500 0.028 0.000 0.714 73 K HN 0.631 nan 8.250 nan 0.000 0.440 74 E N 0.487 120.674 120.200 -0.021 0.000 2.118 74 E HA -0.180 4.170 4.350 0.000 0.000 0.195 74 E C 1.682 178.261 176.600 -0.035 0.000 0.992 74 E CA 0.981 57.368 56.400 -0.021 0.000 0.804 74 E CB 0.005 29.695 29.700 -0.017 0.000 0.741 74 E HN 0.358 nan 8.360 nan 0.000 0.458 75 L N -0.702 120.485 121.223 -0.060 0.000 2.610 75 L HA 0.134 4.474 4.340 0.000 0.000 0.232 75 L C 1.382 178.208 176.870 -0.073 0.000 1.149 75 L CA 0.498 55.293 54.840 -0.075 0.000 0.872 75 L CB 0.169 42.160 42.059 -0.113 0.000 0.992 75 L HN 0.422 nan 8.230 nan 0.000 0.447 76 G N 0.090 108.855 108.800 -0.058 0.000 2.131 76 G HA2 -0.221 3.739 3.960 0.000 0.000 0.223 76 G HA3 -0.221 3.739 3.960 0.000 0.000 0.223 76 G C 0.079 174.952 174.900 -0.044 0.000 0.990 76 G CA -0.386 44.689 45.100 -0.041 0.000 0.671 76 G HN 0.182 nan 8.290 nan 0.000 0.521 77 L N -0.082 121.101 121.223 -0.067 0.000 2.399 77 L HA 0.740 5.080 4.340 0.000 0.000 0.265 77 L C 0.632 177.538 176.870 0.060 0.000 1.089 77 L CA -0.674 54.134 54.840 -0.052 0.000 0.802 77 L CB 1.062 42.987 42.059 -0.223 0.000 1.180 77 L HN 0.171 nan 8.230 nan 0.000 0.454 78 E N -0.156 120.124 120.200 0.133 0.000 2.336 78 E HA 0.460 4.810 4.350 0.000 0.000 0.267 78 E C -1.011 175.746 176.600 0.262 0.000 0.906 78 E CA -0.689 55.812 56.400 0.168 0.000 0.781 78 E CB 2.534 32.304 29.700 0.117 0.000 1.261 78 E HN 0.672 nan 8.360 nan 0.000 0.436 79 T N -1.403 113.254 114.554 0.172 0.000 2.952 79 T HA 0.634 4.984 4.350 0.000 0.000 0.286 79 T C -0.713 174.071 174.700 0.140 0.000 1.024 79 T CA -0.699 61.437 62.100 0.059 0.000 1.029 79 T CB 0.727 69.509 68.868 -0.142 0.000 1.094 79 T HN 0.524 nan 8.240 nan 0.000 0.515 80 Y N -1.479 118.821 120.300 -0.001 0.000 2.609 80 Y HA 0.740 5.290 4.550 0.000 0.000 0.342 80 Y C -0.760 175.143 175.900 0.005 0.000 1.058 80 Y CA -1.557 56.554 58.100 0.018 0.000 1.055 80 Y CB 1.392 39.883 38.460 0.053 0.000 1.292 80 Y HN 0.616 nan 8.280 nan 0.000 0.476 81 K N 2.070 122.536 120.400 0.110 0.000 2.234 81 K HA 0.442 4.762 4.320 0.000 0.000 0.282 81 K C -0.853 175.779 176.600 0.053 0.000 1.039 81 K CA -0.811 55.478 56.287 0.002 0.000 0.928 81 K CB 1.724 34.251 32.500 0.044 0.000 1.039 81 K HN 0.575 nan 8.250 nan 0.000 0.470 82 V N 3.256 123.141 119.914 -0.049 0.000 2.673 82 V HA -0.102 4.018 4.120 0.000 0.000 0.303 82 V C 0.534 176.664 176.094 0.061 0.000 1.046 82 V CA -0.161 62.159 62.300 0.032 0.000 1.126 82 V CB 0.386 32.198 31.823 -0.017 0.000 0.934 82 V HN 0.726 nan 8.190 nan 0.000 0.487 83 N N 4.004 122.769 118.700 0.108 0.000 2.438 83 N HA 0.011 4.751 4.740 0.000 0.000 0.267 83 N C 0.238 175.768 175.510 0.033 0.000 1.222 83 N CA 0.525 53.628 53.050 0.088 0.000 0.930 83 N CB 0.269 38.835 38.487 0.132 0.000 1.083 83 N HN 0.811 nan 8.380 nan 0.000 0.476 84 E N 3.010 123.219 120.200 0.015 0.000 3.191 84 E HA 0.116 4.466 4.350 0.000 0.000 0.192 84 E C 0.245 176.841 176.600 -0.006 0.000 0.972 84 E CA -0.067 56.324 56.400 -0.016 0.000 1.266 84 E CB 0.283 29.959 29.700 -0.040 0.000 1.076 84 E HN 0.450 nan 8.360 nan 0.000 0.462 85 V N 0.453 120.376 119.914 0.015 0.000 2.323 85 V HA -0.126 3.994 4.120 0.000 0.000 0.244 85 V C 0.933 177.033 176.094 0.011 0.000 1.041 85 V CA 1.514 63.822 62.300 0.013 0.000 1.025 85 V CB -0.063 31.771 31.823 0.018 0.000 0.656 85 V HN 0.244 nan 8.190 nan 0.000 0.451 86 E N -0.629 119.585 120.200 0.023 0.000 3.099 86 E HA 0.398 4.748 4.350 0.000 0.000 0.259 86 E C 0.188 176.798 176.600 0.018 0.000 1.274 86 E CA -0.651 55.768 56.400 0.031 0.000 1.111 86 E CB 0.257 29.991 29.700 0.057 0.000 1.327 86 E HN 0.281 nan 8.360 nan 0.000 0.652 87 R N 0.180 120.715 120.500 0.057 0.000 2.539 87 R HA 0.291 4.631 4.340 0.000 0.000 0.275 87 R C -0.484 175.762 176.300 -0.091 0.000 1.077 87 R CA -0.557 55.547 56.100 0.007 0.000 1.097 87 R CB 0.151 30.526 30.300 0.124 0.000 1.018 87 R HN 0.179 nan 8.270 nan 0.000 0.483 88 L N 2.523 123.512 121.223 -0.391 0.000 2.456 88 L HA 0.370 4.710 4.340 0.000 0.000 0.257 88 L C 0.175 176.798 176.870 -0.412 0.000 1.162 88 L CA 0.190 54.695 54.840 -0.559 0.000 0.808 88 L CB 0.531 41.926 42.059 -1.106 0.000 1.136 88 L HN 0.456 nan 8.230 nan 0.000 0.466 89 I N 0.381 120.861 120.570 -0.149 0.000 2.465 89 I HA 0.268 4.438 4.170 0.000 0.000 0.291 89 I C -0.570 175.833 176.117 0.476 0.000 1.014 89 I CA -0.468 60.903 61.300 0.119 0.000 1.093 89 I CB 1.479 39.409 38.000 -0.117 0.000 1.267 89 I HN 0.539 nan 8.210 nan 0.000 0.431 90 H N 5.349 124.742 119.070 0.538 0.000 2.541 90 H HA 0.301 4.857 4.556 -0.000 0.000 0.316 90 H C -1.216 174.353 175.328 0.401 0.000 1.043 90 H CA -0.744 55.561 56.048 0.430 0.000 1.232 90 H CB 0.846 30.778 29.762 0.283 0.000 1.406 90 H HN 0.595 nan 8.280 nan 0.000 0.469 91 H N 4.566 123.776 119.070 0.234 0.000 2.597 91 H HA 0.351 4.907 4.556 0.000 0.000 0.303 91 H C -1.326 174.006 175.328 0.006 0.000 1.057 91 H CA -0.374 55.744 56.048 0.116 0.000 1.261 91 H CB 0.754 30.583 29.762 0.111 0.000 1.397 91 H HN 0.336 nan 8.280 nan 0.000 0.461 92 V N 5.761 125.541 119.914 -0.223 0.000 2.760 92 V HA 0.273 4.393 4.120 0.000 0.000 0.309 92 V C -0.556 175.475 176.094 -0.105 0.000 1.077 92 V CA -0.909 61.286 62.300 -0.174 0.000 0.910 92 V CB 1.331 32.966 31.823 -0.313 0.000 1.008 92 V HN 1.056 nan 8.190 nan 0.000 0.424 93 K N 4.953 125.322 120.400 -0.052 0.000 3.177 93 K HA -0.216 4.104 4.320 0.000 0.000 0.266 93 K C 0.935 177.502 176.600 -0.055 0.000 0.937 93 K CA 0.839 57.115 56.287 -0.017 0.000 0.702 93 K CB -1.602 30.904 32.500 0.010 0.000 1.365 93 K HN 1.930 nan 8.250 nan 0.000 0.466 94 G N -0.073 108.649 108.800 -0.130 0.000 2.155 94 G HA2 -0.342 3.618 3.960 0.000 0.000 0.257 94 G HA3 -0.342 3.618 3.960 0.000 0.000 0.257 94 G C -0.229 174.520 174.900 -0.252 0.000 0.983 94 G CA 0.990 46.038 45.100 -0.087 0.000 0.676 94 G HN 0.416 nan 8.290 nan 0.000 0.528 95 K N -0.091 119.990 120.400 -0.533 0.000 2.422 95 K HA 0.599 4.919 4.320 0.000 0.000 0.251 95 K C -0.676 175.597 176.600 -0.545 0.000 0.933 95 K CA -0.709 55.324 56.287 -0.422 0.000 0.798 95 K CB 2.054 34.347 32.500 -0.345 0.000 1.238 95 K HN 0.058 nan 8.250 nan 0.000 0.428 96 S N 1.576 117.111 115.700 -0.274 0.000 2.499 96 S HA 0.343 4.813 4.470 0.000 0.000 0.279 96 S C -1.113 173.303 174.600 -0.307 0.000 1.219 96 S CA -0.471 57.689 58.200 -0.067 0.000 1.062 96 S CB 0.095 63.344 63.200 0.082 0.000 0.978 96 S HN 0.355 nan 8.310 nan 0.000 0.489 97 Y N 2.879 123.263 120.300 0.139 0.000 2.447 97 Y HA 0.353 4.903 4.550 0.000 0.000 0.325 97 Y C -2.444 173.651 175.900 0.325 0.000 0.976 97 Y CA -2.376 55.845 58.100 0.201 0.000 1.280 97 Y CB 0.853 39.423 38.460 0.183 0.000 1.104 97 Y HN 0.464 nan 8.280 nan 0.000 0.486 98 P HA 0.276 nan 4.420 nan 0.000 0.275 98 P C -0.884 176.704 177.300 0.480 0.000 1.228 98 P CA -0.096 63.220 63.100 0.361 0.000 0.786 98 P CB 0.680 32.586 31.700 0.343 0.000 0.927 99 F N -1.081 118.992 119.950 0.206 0.000 2.741 99 F HA 0.713 5.240 4.527 0.000 0.000 0.313 99 F C -1.038 174.843 175.800 0.136 0.000 1.153 99 F CA -1.315 56.795 58.000 0.184 0.000 0.931 99 F CB 1.440 40.556 39.000 0.192 0.000 1.335 99 F HN 0.055 nan 8.300 nan 0.000 0.460 100 R N 0.737 121.374 120.500 0.229 0.000 2.892 100 R HA 0.794 5.134 4.340 0.000 0.000 0.265 100 R C -0.438 176.006 176.300 0.241 0.000 1.025 100 R CA -0.833 55.322 56.100 0.092 0.000 0.982 100 R CB 1.762 32.112 30.300 0.085 0.000 1.185 100 R HN 1.482 nan 8.270 nan 0.000 0.484 101 G N 1.285 110.165 108.800 0.133 0.000 2.730 101 G HA2 -0.160 3.800 3.960 0.000 0.000 0.686 101 G HA3 -0.160 3.800 3.960 0.000 0.000 0.686 101 G C -2.027 172.989 174.900 0.194 0.000 1.343 101 G CA -0.766 44.427 45.100 0.155 0.000 0.826 101 G HN 0.460 nan 8.290 nan 0.000 0.582 102 P HA 0.109 nan 4.420 nan 0.000 0.222 102 P C 0.518 177.690 177.300 -0.214 0.000 1.153 102 P CA 1.007 64.035 63.100 -0.119 0.000 0.798 102 P CB 0.123 31.606 31.700 -0.361 0.000 0.796 103 F N 1.404 121.332 119.950 -0.037 0.000 2.420 103 F HA 0.417 4.944 4.527 0.000 0.000 0.342 103 F C -1.969 173.597 175.800 -0.390 0.000 1.113 103 F CA -2.994 54.864 58.000 -0.236 0.000 1.059 103 F CB 0.468 39.235 39.000 -0.389 0.000 1.128 103 F HN -0.260 nan 8.300 nan 0.000 0.475 104 P HA 0.097 nan 4.420 nan 0.000 0.267 104 P C -2.427 174.597 177.300 -0.461 0.000 1.205 104 P CA -0.950 61.447 63.100 -1.172 0.000 0.765 104 P CB -0.172 30.985 31.700 -0.904 0.000 0.828 105 P HA 0.101 nan 4.420 nan 0.000 0.272 105 P C -0.885 176.274 177.300 -0.236 0.000 1.223 105 P CA 0.070 63.031 63.100 -0.233 0.000 0.784 105 P CB 0.643 32.239 31.700 -0.173 0.000 0.923 106 V N 1.396 121.126 119.914 -0.307 0.000 2.588 106 V HA 0.243 4.363 4.120 0.000 0.000 0.304 106 V C 0.184 176.118 176.094 -0.266 0.000 1.042 106 V CA -0.246 61.905 62.300 -0.249 0.000 0.877 106 V CB 1.799 33.419 31.823 -0.340 0.000 0.996 106 V HN 0.689 nan 8.190 nan 0.000 0.425 107 W N 0.598 121.874 121.300 -0.039 0.000 2.699 107 W HA 0.219 4.879 4.660 -0.000 0.000 0.265 107 W C 1.349 177.863 176.519 -0.008 0.000 1.210 107 W CA -0.073 57.259 57.345 -0.021 0.000 1.414 107 W CB 0.283 29.726 29.460 -0.028 0.000 1.043 107 W HN 0.530 nan 8.180 nan 0.000 0.599 108 N N 2.280 121.096 118.700 0.193 0.000 2.454 108 N HA -0.043 4.697 4.740 0.000 0.000 0.260 108 N C -1.755 173.825 175.510 0.117 0.000 1.218 108 N CA -0.388 52.739 53.050 0.129 0.000 0.904 108 N CB 1.510 40.055 38.487 0.097 0.000 1.065 108 N HN -0.137 nan 8.380 nan 0.000 0.462 109 P HA -0.069 nan 4.420 nan 0.000 0.217 109 P C 1.510 178.881 177.300 0.118 0.000 1.151 109 P CA 0.665 63.817 63.100 0.087 0.000 0.828 109 P CB 0.351 32.079 31.700 0.048 0.000 0.788 110 I N -0.546 120.078 120.570 0.091 0.000 2.202 110 I HA -0.141 4.029 4.170 0.000 0.000 0.242 110 I C 1.969 178.149 176.117 0.105 0.000 1.091 110 I CA 1.773 63.121 61.300 0.079 0.000 1.368 110 I CB -2.065 35.975 38.000 0.066 0.000 1.058 110 I HN 0.007 nan 8.210 nan 0.000 0.410 111 T N 0.396 115.023 114.554 0.121 0.000 2.746 111 T HA -0.241 4.109 4.350 0.000 0.000 0.267 111 T C 1.891 176.680 174.700 0.148 0.000 1.039 111 T CA 1.397 63.590 62.100 0.154 0.000 1.142 111 T CB -0.638 68.299 68.868 0.116 0.000 0.866 111 T HN 0.296 nan 8.240 nan 0.000 0.444 112 Y N 1.905 122.199 120.300 -0.009 0.000 2.128 112 Y HA -0.144 4.406 4.550 -0.000 0.000 0.284 112 Y C 2.039 177.946 175.900 0.012 0.000 1.154 112 Y CA 1.237 59.307 58.100 -0.050 0.000 1.149 112 Y CB -0.510 37.891 38.460 -0.099 0.000 0.976 112 Y HN 0.111 nan 8.280 nan 0.000 0.505 113 L N -0.237 121.050 121.223 0.107 0.000 2.046 113 L HA -0.223 4.117 4.340 0.000 0.000 0.208 113 L C 2.189 179.030 176.870 -0.049 0.000 1.077 113 L CA 1.750 56.599 54.840 0.015 0.000 0.747 113 L CB -0.657 41.427 42.059 0.043 0.000 0.896 113 L HN 0.242 nan 8.230 nan 0.000 0.432 114 D N -0.804 119.606 120.400 0.017 0.000 2.084 114 D HA -0.201 4.439 4.640 0.000 0.000 0.194 114 D C 2.188 178.497 176.300 0.014 0.000 0.990 114 D CA 1.307 55.328 54.000 0.035 0.000 0.826 114 D CB 0.032 40.887 40.800 0.092 0.000 0.971 114 D HN 0.299 nan 8.370 nan 0.000 0.453 115 H N -0.228 118.783 119.070 -0.098 0.000 2.321 115 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 115 H C 2.161 177.455 175.328 -0.057 0.000 1.087 115 H CA 1.216 57.222 56.048 -0.070 0.000 1.319 115 H CB -0.200 29.529 29.762 -0.054 0.000 1.379 115 H HN 0.290 nan 8.280 nan 0.000 0.501 116 N N 1.121 119.736 118.700 -0.141 0.000 2.104 116 N HA -0.182 4.558 4.740 0.000 0.000 0.190 116 N C 1.814 177.252 175.510 -0.119 0.000 1.024 116 N CA 0.906 53.815 53.050 -0.235 0.000 0.853 116 N CB -0.211 37.993 38.487 -0.471 0.000 1.008 116 N HN 0.409 nan 8.380 nan 0.000 0.424 117 N N -0.151 118.491 118.700 -0.097 0.000 2.188 117 N HA -0.175 4.565 4.740 0.000 0.000 0.184 117 N C 1.871 177.331 175.510 -0.082 0.000 1.018 117 N CA 0.661 53.662 53.050 -0.082 0.000 0.858 117 N CB -0.245 38.208 38.487 -0.057 0.000 0.989 117 N HN 0.233 nan 8.380 nan 0.000 0.426 118 F N 0.732 120.546 119.950 -0.226 0.000 2.051 118 F HA -0.120 4.407 4.527 -0.000 0.000 0.296 118 F C 1.741 177.342 175.800 -0.331 0.000 1.122 118 F CA 1.602 59.396 58.000 -0.344 0.000 1.201 118 F CB -0.968 37.683 39.000 -0.581 0.000 0.978 118 F HN 0.055 nan 8.300 nan 0.000 0.472 119 W N 0.702 121.679 121.300 -0.539 0.000 2.358 119 W HA -0.095 4.565 4.660 0.000 0.000 0.303 119 W C 2.865 179.088 176.519 -0.494 0.000 1.208 119 W CA 1.568 58.514 57.345 -0.665 0.000 1.274 119 W CB -0.668 28.500 29.460 -0.487 0.000 1.138 119 W HN -0.052 nan 8.180 nan 0.000 0.515 120 R N 0.125 120.536 120.500 -0.148 0.000 2.083 120 R HA -0.164 4.176 4.340 0.000 0.000 0.237 120 R C 1.943 178.134 176.300 -0.181 0.000 1.137 120 R CA 2.272 58.276 56.100 -0.161 0.000 0.951 120 R CB -0.710 29.496 30.300 -0.157 0.000 0.851 120 R HN 0.040 nan 8.270 nan 0.000 0.434 121 T N 1.319 115.746 114.554 -0.213 0.000 2.746 121 T HA -0.132 4.218 4.350 0.000 0.000 0.267 121 T C 1.838 176.394 174.700 -0.240 0.000 1.039 121 T CA 1.417 63.400 62.100 -0.196 0.000 1.142 121 T CB -0.065 68.707 68.868 -0.160 0.000 0.866 121 T HN 0.177 nan 8.240 nan 0.000 0.444 122 M N 1.623 121.015 119.600 -0.348 0.000 2.082 122 M HA -0.119 4.361 4.480 0.000 0.000 0.258 122 M C 1.839 178.030 176.300 -0.183 0.000 1.069 122 M CA 1.561 56.691 55.300 -0.284 0.000 1.102 122 M CB -1.098 31.299 32.600 -0.340 0.000 1.336 122 M HN 0.188 nan 8.290 nan 0.000 0.404 123 D N 0.346 120.651 120.400 -0.159 0.000 2.149 123 D HA -0.109 4.531 4.640 0.000 0.000 0.201 123 D C 1.611 177.849 176.300 -0.103 0.000 0.972 123 D CA 0.946 54.873 54.000 -0.120 0.000 0.835 123 D CB -0.304 40.432 40.800 -0.107 0.000 0.966 123 D HN 0.277 nan 8.370 nan 0.000 0.476 124 D N 0.401 120.738 120.400 -0.105 0.000 2.104 124 D HA -0.135 4.505 4.640 0.000 0.000 0.194 124 D C 2.198 178.487 176.300 -0.019 0.000 0.994 124 D CA 0.896 54.858 54.000 -0.065 0.000 0.830 124 D CB -0.233 40.527 40.800 -0.067 0.000 0.959 124 D HN 0.245 nan 8.370 nan 0.000 0.452 125 M N 0.028 119.589 119.600 -0.065 0.000 2.132 125 M HA -0.032 4.448 4.480 0.000 0.000 0.263 125 M C 2.370 178.711 176.300 0.069 0.000 1.065 125 M CA 1.599 56.875 55.300 -0.040 0.000 1.122 125 M CB -0.482 31.831 32.600 -0.478 0.000 1.365 125 M HN 0.026 nan 8.290 nan 0.000 0.411 126 G N 0.359 109.138 108.800 -0.035 0.000 2.475 126 G HA2 -0.223 3.737 3.960 0.000 0.000 0.220 126 G HA3 -0.223 3.737 3.960 0.000 0.000 0.220 126 G C 1.623 176.523 174.900 0.000 0.000 1.125 126 G CA 0.688 45.774 45.100 -0.023 0.000 0.755 126 G HN 0.415 nan 8.290 nan 0.000 0.565 127 R N 0.076 120.573 120.500 -0.004 0.000 2.241 127 R HA -0.006 4.334 4.340 0.000 0.000 0.224 127 R C 1.533 177.839 176.300 0.009 0.000 1.101 127 R CA 0.867 56.957 56.100 -0.017 0.000 0.995 127 R CB 0.058 30.343 30.300 -0.026 0.000 0.870 127 R HN 0.280 nan 8.270 nan 0.000 0.463 128 E N 0.219 120.463 120.200 0.074 0.000 2.463 128 E HA 0.117 4.467 4.350 0.000 0.000 0.193 128 E C -0.001 176.627 176.600 0.046 0.000 1.041 128 E CA 0.260 56.695 56.400 0.059 0.000 0.879 128 E CB 0.488 30.242 29.700 0.091 0.000 0.997 128 E HN 0.315 nan 8.360 nan 0.000 0.478 129 I N 2.705 123.318 120.570 0.072 0.000 2.359 129 I HA 0.220 4.390 4.170 0.000 0.000 0.284 129 I C -2.434 173.685 176.117 0.003 0.000 1.018 129 I CA -2.339 59.001 61.300 0.067 0.000 1.173 129 I CB 1.470 39.576 38.000 0.177 0.000 1.326 129 I HN -0.354 nan 8.210 nan 0.000 0.462 130 P HA 0.111 nan 4.420 nan 0.000 0.267 130 P C 0.546 177.814 177.300 -0.053 0.000 1.205 130 P CA 0.201 63.231 63.100 -0.116 0.000 0.765 130 P CB 0.896 32.471 31.700 -0.209 0.000 0.828 131 S N 2.155 117.840 115.700 -0.025 0.000 2.383 131 S HA -0.172 4.298 4.470 0.000 0.000 0.229 131 S C 1.276 175.975 174.600 0.164 0.000 1.030 131 S CA 1.823 60.090 58.200 0.111 0.000 1.002 131 S CB -0.595 62.574 63.200 -0.050 0.000 0.829 131 S HN 0.679 nan 8.310 nan 0.000 0.467 132 D N 0.470 120.817 120.400 -0.087 0.000 2.340 132 D HA 0.271 4.911 4.640 0.000 0.000 0.220 132 D C 0.272 176.341 176.300 -0.385 0.000 1.039 132 D CA 0.349 54.248 54.000 -0.168 0.000 0.866 132 D CB 0.063 40.704 40.800 -0.264 0.000 0.913 132 D HN 0.277 nan 8.370 nan 0.000 0.523 133 A N 1.086 123.511 122.820 -0.659 0.000 3.208 133 A HA 0.329 4.649 4.320 0.000 0.000 0.252 133 A C -2.163 174.627 177.584 -1.323 0.000 1.225 133 A CA -0.739 50.421 52.037 -1.461 0.000 0.980 133 A CB 0.754 19.201 19.000 -0.922 0.000 1.414 133 A HN -0.093 nan 8.150 nan 0.000 0.721 134 P HA -0.180 nan 4.420 nan 0.000 0.219 134 P C 1.275 178.363 177.300 -0.353 0.000 1.146 134 P CA 1.551 64.333 63.100 -0.531 0.000 0.808 134 P CB -0.357 31.009 31.700 -0.558 0.000 0.779 135 W N 0.977 122.200 121.300 -0.127 0.000 2.632 135 W HA 0.080 4.740 4.660 -0.000 0.000 0.248 135 W C 1.256 177.730 176.519 -0.076 0.000 1.259 135 W CA 0.402 57.694 57.345 -0.089 0.000 1.288 135 W CB -1.451 27.953 29.460 -0.095 0.000 1.136 135 W HN -0.091 nan 8.180 nan 0.000 0.640 136 K N 0.793 120.996 120.400 -0.329 0.000 2.374 136 K HA 0.326 4.646 4.320 0.000 0.000 0.196 136 K C 1.022 177.527 176.600 -0.158 0.000 1.023 136 K CA 0.162 56.338 56.287 -0.184 0.000 1.103 136 K CB 0.013 32.367 32.500 -0.243 0.000 0.848 136 K HN 0.096 nan 8.250 nan 0.000 0.528 137 A N 2.441 125.166 122.820 -0.157 0.000 2.531 137 A HA 0.063 4.383 4.320 0.000 0.000 0.236 137 A C -1.600 175.855 177.584 -0.215 0.000 1.062 137 A CA -0.932 51.009 52.037 -0.161 0.000 0.760 137 A CB 0.058 18.986 19.000 -0.120 0.000 0.995 137 A HN -0.007 nan 8.150 nan 0.000 0.501 138 P HA -0.115 nan 4.420 nan 0.000 0.218 138 P C 0.509 177.613 177.300 -0.326 0.000 1.148 138 P CA 1.216 64.175 63.100 -0.234 0.000 0.822 138 P CB 0.044 31.620 31.700 -0.206 0.000 0.784 139 L N -2.133 118.736 121.223 -0.590 0.000 2.928 139 L HA 0.359 4.699 4.340 0.000 0.000 0.246 139 L C 1.861 178.353 176.870 -0.629 0.000 1.239 139 L CA -0.285 54.108 54.840 -0.745 0.000 1.035 139 L CB -0.503 40.793 42.059 -1.272 0.000 1.360 139 L HN -0.107 nan 8.230 nan 0.000 0.529 140 A N 0.599 123.223 122.820 -0.326 0.000 1.892 140 A HA -0.225 4.095 4.320 0.000 0.000 0.218 140 A C 2.187 179.770 177.584 -0.001 0.000 1.188 140 A CA 1.805 53.785 52.037 -0.096 0.000 0.631 140 A CB -0.165 18.827 19.000 -0.014 0.000 0.822 140 A HN 0.515 nan 8.150 nan 0.000 0.447 141 E N -1.010 119.171 120.200 -0.030 0.000 2.072 141 E HA -0.200 4.150 4.350 0.000 0.000 0.191 141 E C 2.130 178.763 176.600 0.055 0.000 0.985 141 E CA 1.097 57.512 56.400 0.025 0.000 0.801 141 E CB -0.187 29.515 29.700 0.003 0.000 0.750 141 E HN 0.832 nan 8.360 nan 0.000 0.452 142 E N 0.167 120.368 120.200 0.003 0.000 2.058 142 E HA -0.201 4.149 4.350 0.000 0.000 0.194 142 E C 1.668 178.431 176.600 0.271 0.000 0.997 142 E CA 1.197 57.645 56.400 0.080 0.000 0.801 142 E CB 0.011 29.712 29.700 0.001 0.000 0.746 142 E HN 0.281 nan 8.360 nan 0.000 0.450 143 W N 0.898 122.240 121.300 0.070 0.000 2.476 143 W HA -0.003 4.657 4.660 0.000 0.000 0.281 143 W C 1.894 178.484 176.519 0.118 0.000 1.230 143 W CA 0.582 57.981 57.345 0.090 0.000 1.287 143 W CB -0.911 28.603 29.460 0.090 0.000 1.108 143 W HN 0.217 nan 8.180 nan 0.000 0.567 144 D N -0.249 120.347 120.400 0.328 0.000 2.269 144 D HA -0.119 4.521 4.640 0.000 0.000 0.208 144 D C 1.241 177.669 176.300 0.213 0.000 0.963 144 D CA 0.941 55.100 54.000 0.265 0.000 0.864 144 D CB -0.199 40.731 40.800 0.216 0.000 0.936 144 D HN -0.105 nan 8.370 nan 0.000 0.505 145 N N -0.411 118.398 118.700 0.183 0.000 2.322 145 N HA 0.098 4.838 4.740 0.000 0.000 0.194 145 N C -0.133 175.458 175.510 0.134 0.000 1.126 145 N CA 0.089 53.223 53.050 0.139 0.000 0.845 145 N CB 0.312 38.864 38.487 0.108 0.000 0.976 145 N HN 0.305 nan 8.380 nan 0.000 0.475 146 M N 0.315 120.012 119.600 0.161 0.000 2.456 146 M HA 0.218 4.698 4.480 0.000 0.000 0.324 146 M C -0.099 176.281 176.300 0.133 0.000 1.124 146 M CA -0.560 54.820 55.300 0.132 0.000 0.959 146 M CB 1.816 34.502 32.600 0.143 0.000 1.692 146 M HN 0.015 nan 8.290 nan 0.000 0.444 147 T N 0.306 114.919 114.554 0.098 0.000 2.847 147 T HA 0.241 4.591 4.350 0.000 0.000 0.279 147 T C 1.101 175.833 174.700 0.053 0.000 0.984 147 T CA -0.844 61.310 62.100 0.090 0.000 0.988 147 T CB 0.857 69.769 68.868 0.073 0.000 1.040 147 T HN 0.677 nan 8.240 nan 0.000 0.528 148 M N 0.196 119.807 119.600 0.017 0.000 2.279 148 M HA 0.007 4.487 4.480 0.000 0.000 0.264 148 M C 2.184 178.442 176.300 -0.070 0.000 1.062 148 M CA 1.455 56.722 55.300 -0.055 0.000 1.099 148 M CB -1.289 31.188 32.600 -0.206 0.000 1.394 148 M HN 0.854 nan 8.290 nan 0.000 0.426 149 K N 0.606 120.977 120.400 -0.048 0.000 2.026 149 K HA -0.192 4.128 4.320 0.000 0.000 0.208 149 K C 1.693 178.272 176.600 -0.035 0.000 1.048 149 K CA 1.621 57.885 56.287 -0.038 0.000 0.929 149 K CB 0.042 32.554 32.500 0.020 0.000 0.713 149 K HN 0.392 nan 8.250 nan 0.000 0.439 150 E N 0.572 120.766 120.200 -0.010 0.000 2.051 150 E HA -0.222 4.128 4.350 0.000 0.000 0.192 150 E C 2.042 178.630 176.600 -0.020 0.000 0.991 150 E CA 1.132 57.526 56.400 -0.010 0.000 0.799 150 E CB -0.156 29.555 29.700 0.017 0.000 0.748 150 E HN 0.182 nan 8.360 nan 0.000 0.449 151 L N 1.168 122.382 121.223 -0.015 0.000 2.017 151 L HA -0.170 4.170 4.340 0.000 0.000 0.208 151 L C 2.070 178.921 176.870 -0.031 0.000 1.073 151 L CA 1.597 56.422 54.840 -0.025 0.000 0.745 151 L CB -0.378 41.659 42.059 -0.037 0.000 0.894 151 L HN 0.127 nan 8.230 nan 0.000 0.432 152 L N -0.879 120.313 121.223 -0.051 0.000 2.141 152 L HA -0.187 4.153 4.340 0.000 0.000 0.209 152 L C 2.190 178.993 176.870 -0.111 0.000 1.094 152 L CA 1.101 55.887 54.840 -0.091 0.000 0.763 152 L CB -0.899 41.067 42.059 -0.155 0.000 0.908 152 L HN 0.276 nan 8.230 nan 0.000 0.437 153 D N 0.439 120.779 120.400 -0.101 0.000 2.144 153 D HA -0.158 4.482 4.640 0.000 0.000 0.199 153 D C 2.196 178.408 176.300 -0.146 0.000 0.984 153 D CA 1.187 55.113 54.000 -0.123 0.000 0.834 153 D CB 0.022 40.762 40.800 -0.101 0.000 0.955 153 D HN 0.302 nan 8.370 nan 0.000 0.465 154 K N -0.236 120.107 120.400 -0.094 0.000 2.062 154 K HA -0.053 4.267 4.320 0.000 0.000 0.205 154 K C 1.960 178.540 176.600 -0.033 0.000 1.051 154 K CA 0.376 56.619 56.287 -0.073 0.000 0.941 154 K CB -0.020 32.472 32.500 -0.013 0.000 0.719 154 K HN 0.045 nan 8.250 nan 0.000 0.440 155 L N 0.735 121.960 121.223 0.004 0.000 2.162 155 L HA 0.047 4.387 4.340 0.000 0.000 0.205 155 L C 0.223 177.181 176.870 0.146 0.000 1.086 155 L CA 1.068 55.966 54.840 0.096 0.000 0.778 155 L CB 0.235 42.344 42.059 0.084 0.000 0.928 155 L HN 0.037 nan 8.230 nan 0.000 0.446 156 C N 0.102 119.403 119.300 0.002 0.000 2.281 156 C HA 0.156 4.616 4.460 0.000 0.000 0.336 156 C C 0.830 175.814 174.990 -0.011 0.000 1.217 156 C CA -0.791 58.215 59.018 -0.020 0.000 1.730 156 C CB -1.290 26.338 27.740 -0.187 0.000 2.338 156 C HN 0.618 nan 8.230 nan 0.000 0.521 157 W N 1.938 123.195 121.300 -0.072 0.000 2.905 157 W HA 0.099 4.759 4.660 -0.000 0.000 0.251 157 W C 1.503 177.999 176.519 -0.039 0.000 1.305 157 W CA 0.243 57.562 57.345 -0.044 0.000 1.465 157 W CB -0.133 29.313 29.460 -0.024 0.000 1.122 157 W HN 0.663 nan 8.180 nan 0.000 0.659 158 T N -3.492 111.134 114.554 0.119 0.000 2.887 158 T HA 0.291 4.641 4.350 0.000 0.000 0.288 158 T C 0.829 175.521 174.700 -0.014 0.000 1.021 158 T CA -0.647 61.492 62.100 0.065 0.000 1.000 158 T CB 2.571 71.498 68.868 0.099 0.000 1.034 158 T HN -0.220 nan 8.240 nan 0.000 0.467 159 E N 1.150 121.345 120.200 -0.007 0.000 2.150 159 E HA -0.101 4.249 4.350 0.000 0.000 0.193 159 E C 2.138 178.722 176.600 -0.026 0.000 0.985 159 E CA 1.198 57.579 56.400 -0.031 0.000 0.814 159 E CB -0.426 29.267 29.700 -0.012 0.000 0.752 159 E HN 0.742 nan 8.360 nan 0.000 0.466 160 S N 0.652 116.371 115.700 0.032 0.000 2.353 160 S HA -0.202 4.268 4.470 0.000 0.000 0.222 160 S C 2.092 176.689 174.600 -0.005 0.000 1.035 160 S CA 1.693 59.960 58.200 0.112 0.000 1.025 160 S CB -0.117 63.232 63.200 0.248 0.000 0.902 160 S HN 0.301 nan 8.310 nan 0.000 0.440 161 A N 1.222 123.904 122.820 -0.231 0.000 1.902 161 A HA -0.069 4.250 4.320 0.000 0.000 0.217 161 A C 2.194 179.423 177.584 -0.592 0.000 1.181 161 A CA 1.837 53.419 52.037 -0.757 0.000 0.623 161 A CB -0.751 17.867 19.000 -0.637 0.000 0.818 161 A HN 0.651 nan 8.150 nan 0.000 0.443 162 K N -0.555 119.625 120.400 -0.367 0.000 2.057 162 K HA -0.208 4.112 4.320 0.000 0.000 0.207 162 K C 2.244 178.686 176.600 -0.263 0.000 1.049 162 K CA 1.728 57.815 56.287 -0.333 0.000 0.931 162 K CB -0.179 32.195 32.500 -0.209 0.000 0.714 162 K HN 0.632 nan 8.250 nan 0.000 0.440 163 Q N 0.268 119.974 119.800 -0.157 0.000 2.079 163 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 163 Q C 2.089 178.061 176.000 -0.046 0.000 0.974 163 Q CA 1.300 57.066 55.803 -0.062 0.000 0.840 163 Q CB -0.059 28.687 28.738 0.013 0.000 0.898 163 Q HN 0.214 nan 8.270 nan 0.000 0.430 164 L N 0.304 121.479 121.223 -0.081 0.000 2.072 164 L HA -0.038 4.302 4.340 0.000 0.000 0.205 164 L C 2.105 178.900 176.870 -0.126 0.000 1.079 164 L CA 1.769 56.605 54.840 -0.008 0.000 0.752 164 L CB -0.665 41.439 42.059 0.075 0.000 0.906 164 L HN 0.130 nan 8.230 nan 0.000 0.436 165 A N -1.555 120.960 122.820 -0.508 0.000 1.933 165 A HA -0.206 4.114 4.320 0.000 0.000 0.218 165 A C 2.256 179.719 177.584 -0.202 0.000 1.175 165 A CA 2.281 53.912 52.037 -0.678 0.000 0.628 165 A CB -1.162 16.957 19.000 -1.468 0.000 0.814 165 A HN 0.496 nan 8.150 nan 0.000 0.444 166 T N 0.087 114.524 114.554 -0.194 0.000 2.708 166 T HA -0.127 4.223 4.350 0.000 0.000 0.266 166 T C 1.864 176.546 174.700 -0.030 0.000 1.037 166 T CA 1.380 63.411 62.100 -0.115 0.000 1.146 166 T CB -0.397 68.416 68.868 -0.093 0.000 0.865 166 T HN 0.406 nan 8.240 nan 0.000 0.435 167 L N 0.224 121.476 121.223 0.048 0.000 2.012 167 L HA -0.086 4.254 4.340 0.000 0.000 0.210 167 L C 2.248 179.216 176.870 0.164 0.000 1.073 167 L CA 1.555 56.467 54.840 0.120 0.000 0.748 167 L CB -0.413 41.756 42.059 0.183 0.000 0.891 167 L HN 0.207 nan 8.230 nan 0.000 0.431 168 F N -0.124 119.870 119.950 0.074 0.000 2.065 168 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 168 F C 2.122 178.009 175.800 0.146 0.000 1.112 168 F CA 2.213 60.322 58.000 0.181 0.000 1.212 168 F CB -0.805 38.374 39.000 0.299 0.000 0.975 168 F HN -0.112 nan 8.300 nan 0.000 0.476 169 V N 1.035 120.833 119.914 -0.192 0.000 2.295 169 V HA -0.356 3.764 4.120 0.000 0.000 0.246 169 V C 2.078 178.008 176.094 -0.273 0.000 1.049 169 V CA 2.445 64.440 62.300 -0.509 0.000 1.024 169 V CB -1.094 30.309 31.823 -0.700 0.000 0.648 169 V HN 0.420 nan 8.190 nan 0.000 0.447 170 N N 0.073 118.673 118.700 -0.167 0.000 2.104 170 N HA -0.210 4.530 4.740 0.000 0.000 0.190 170 N C 1.748 177.199 175.510 -0.099 0.000 1.024 170 N CA 1.297 54.275 53.050 -0.122 0.000 0.853 170 N CB -0.215 38.246 38.487 -0.043 0.000 1.008 170 N HN 0.327 nan 8.380 nan 0.000 0.424 171 L N 0.784 121.985 121.223 -0.037 0.000 2.109 171 L HA -0.011 4.329 4.340 0.000 0.000 0.207 171 L C 1.996 178.890 176.870 0.040 0.000 1.086 171 L CA 1.425 56.263 54.840 -0.003 0.000 0.760 171 L CB -0.562 41.500 42.059 0.005 0.000 0.910 171 L HN 0.226 nan 8.230 nan 0.000 0.437 172 C N -1.404 117.898 119.300 0.003 0.000 2.446 172 C HA -0.013 4.447 4.460 0.000 0.000 0.277 172 C C 2.217 177.285 174.990 0.131 0.000 1.275 172 C CA 0.960 60.036 59.018 0.097 0.000 1.727 172 C CB -0.536 27.186 27.740 -0.031 0.000 2.010 172 C HN 0.566 nan 8.230 nan 0.000 0.486 173 V N -2.115 117.780 119.914 -0.033 0.000 3.276 173 V HA 0.300 4.420 4.120 0.000 0.000 0.319 173 V C 0.732 176.684 176.094 -0.237 0.000 1.476 173 V CA 0.770 63.013 62.300 -0.096 0.000 1.097 173 V CB -1.312 30.567 31.823 0.094 0.000 0.988 173 V HN 0.518 nan 8.190 nan 0.000 0.473 174 T N -1.304 113.028 114.554 -0.371 0.000 3.760 174 T HA -0.067 4.283 4.350 0.000 0.000 0.366 174 T C 0.122 174.651 174.700 -0.285 0.000 0.761 174 T CA 1.360 63.223 62.100 -0.395 0.000 1.887 174 T CB -2.575 65.926 68.868 -0.611 0.000 1.811 174 T HN 2.487 nan 8.240 nan 0.000 0.749 175 A N -0.228 122.411 122.820 -0.301 0.000 2.606 175 A HA 0.716 5.036 4.320 0.000 0.000 0.293 175 A C -0.412 176.949 177.584 -0.373 0.000 1.082 175 A CA -1.067 50.716 52.037 -0.423 0.000 0.685 175 A CB 1.226 19.760 19.000 -0.776 0.000 1.284 175 A HN 0.351 nan 8.150 nan 0.000 0.408 176 E N 0.562 120.498 120.200 -0.439 0.000 2.373 176 E HA 0.228 4.578 4.350 0.000 0.000 0.263 176 E C 1.272 177.565 176.600 -0.512 0.000 1.073 176 E CA 0.546 56.659 56.400 -0.478 0.000 0.894 176 E CB 0.800 30.034 29.700 -0.776 0.000 1.008 176 E HN 0.808 nan 8.360 nan 0.000 0.420 177 T N -1.310 113.018 114.554 -0.376 0.000 2.833 177 T HA -0.204 4.146 4.350 0.000 0.000 0.269 177 T C 1.433 176.009 174.700 -0.206 0.000 1.054 177 T CA 1.668 63.600 62.100 -0.281 0.000 1.135 177 T CB -0.378 68.374 68.868 -0.193 0.000 0.869 177 T HN 0.626 nan 8.240 nan 0.000 0.466 178 H N 0.517 119.521 119.070 -0.110 0.000 2.551 178 H HA 0.273 4.829 4.556 0.000 0.000 0.266 178 H C 1.462 176.757 175.328 -0.056 0.000 0.977 178 H CA 0.703 56.709 56.048 -0.071 0.000 1.163 178 H CB -0.180 29.541 29.762 -0.069 0.000 1.381 178 H HN 0.498 nan 8.280 nan 0.000 0.581 179 E N 1.358 121.345 120.200 -0.356 0.000 2.230 179 E HA 0.037 4.387 4.350 0.000 0.000 0.192 179 E C 0.794 177.354 176.600 -0.066 0.000 0.987 179 E CA 0.475 56.751 56.400 -0.207 0.000 0.841 179 E CB 0.765 30.183 29.700 -0.469 0.000 0.783 179 E HN 0.364 nan 8.360 nan 0.000 0.481 180 V N -1.113 118.759 119.914 -0.071 0.000 2.667 180 V HA 0.423 4.543 4.120 0.000 0.000 0.308 180 V C -0.031 176.206 176.094 0.237 0.000 1.048 180 V CA -1.166 61.212 62.300 0.129 0.000 0.928 180 V CB 1.859 33.807 31.823 0.209 0.000 1.004 180 V HN -0.034 nan 8.190 nan 0.000 0.444 181 S N 3.307 119.226 115.700 0.365 0.000 2.549 181 S HA 0.444 4.914 4.470 0.000 0.000 0.286 181 S C 1.443 176.292 174.600 0.415 0.000 1.314 181 S CA 0.198 58.621 58.200 0.372 0.000 1.062 181 S CB 0.953 64.410 63.200 0.429 0.000 0.865 181 S HN 1.770 nan 8.310 nan 0.000 0.498 182 A N 4.875 127.870 122.820 0.291 0.000 1.902 182 A HA -0.028 4.292 4.320 0.000 0.000 0.217 182 A C 2.023 179.780 177.584 0.288 0.000 1.181 182 A CA 1.602 53.782 52.037 0.238 0.000 0.623 182 A CB -0.930 18.134 19.000 0.108 0.000 0.818 182 A HN 0.962 nan 8.150 nan 0.000 0.443 183 L N -1.405 120.036 121.223 0.364 0.000 2.012 183 L HA -0.169 4.171 4.340 0.000 0.000 0.210 183 L C 2.232 179.333 176.870 0.386 0.000 1.073 183 L CA 2.605 57.691 54.840 0.409 0.000 0.748 183 L CB -0.826 41.474 42.059 0.402 0.000 0.891 183 L HN 0.662 nan 8.230 nan 0.000 0.431 184 W N -0.614 120.851 121.300 0.275 0.000 2.358 184 W HA -0.276 4.384 4.660 -0.000 0.000 0.303 184 W C 2.350 179.133 176.519 0.439 0.000 1.208 184 W CA 1.870 59.397 57.345 0.303 0.000 1.274 184 W CB -0.687 28.933 29.460 0.266 0.000 1.138 184 W HN 0.287 nan 8.180 nan 0.000 0.515 185 F N 0.783 120.773 119.950 0.065 0.000 2.134 185 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 185 F C 2.079 177.778 175.800 -0.169 0.000 1.097 185 F CA 2.135 59.970 58.000 -0.274 0.000 1.264 185 F CB -0.650 38.325 39.000 -0.042 0.000 1.001 185 F HN -0.165 nan 8.300 nan 0.000 0.479 186 L N -1.395 119.818 121.223 -0.016 0.000 2.093 186 L HA -0.202 4.138 4.340 0.000 0.000 0.208 186 L C 2.279 179.066 176.870 -0.138 0.000 1.085 186 L CA 1.488 56.267 54.840 -0.103 0.000 0.755 186 L CB -0.984 41.046 42.059 -0.048 0.000 0.904 186 L HN 0.432 nan 8.230 nan 0.000 0.435 187 W N 0.137 121.307 121.300 -0.218 0.000 2.335 187 W HA -0.318 4.342 4.660 0.000 0.000 0.311 187 W C 2.621 178.929 176.519 -0.353 0.000 1.213 187 W CA 1.629 58.832 57.345 -0.236 0.000 1.274 187 W CB -0.646 28.707 29.460 -0.178 0.000 1.148 187 W HN 0.111 nan 8.180 nan 0.000 0.498 188 Y N 0.565 120.402 120.300 -0.771 0.000 2.128 188 Y HA -0.301 4.249 4.550 -0.000 0.000 0.284 188 Y C 2.397 177.747 175.900 -0.917 0.000 1.154 188 Y CA 3.045 60.493 58.100 -1.086 0.000 1.149 188 Y CB -0.814 36.980 38.460 -1.110 0.000 0.976 188 Y HN -0.144 nan 8.280 nan 0.000 0.505 189 V N 0.982 120.484 119.914 -0.686 0.000 2.295 189 V HA -0.295 3.825 4.120 0.000 0.000 0.246 189 V C 2.508 178.286 176.094 -0.526 0.000 1.049 189 V CA 2.240 64.223 62.300 -0.529 0.000 1.024 189 V CB -0.710 30.890 31.823 -0.372 0.000 0.648 189 V HN 0.324 nan 8.190 nan 0.000 0.447 190 K N 1.074 121.180 120.400 -0.491 0.000 2.063 190 K HA -0.260 4.060 4.320 0.000 0.000 0.208 190 K C 2.166 178.439 176.600 -0.544 0.000 1.048 190 K CA 2.307 58.342 56.287 -0.419 0.000 0.928 190 K CB -0.173 32.149 32.500 -0.296 0.000 0.713 190 K HN 0.727 nan 8.250 nan 0.000 0.442 191 Q N -0.775 118.549 119.800 -0.794 0.000 2.472 191 Q HA -0.007 4.333 4.340 0.000 0.000 0.208 191 Q C 1.578 177.067 176.000 -0.852 0.000 0.958 191 Q CA 1.077 56.403 55.803 -0.795 0.000 0.932 191 Q CB -0.495 27.578 28.738 -1.108 0.000 1.007 191 Q HN 0.158 nan 8.270 nan 0.000 0.508 192 C N 0.094 118.751 119.300 -1.071 0.000 2.697 192 C HA 0.577 5.037 4.460 0.000 0.000 0.267 192 C C 1.563 175.819 174.990 -1.223 0.000 1.278 192 C CA 0.245 58.251 59.018 -1.685 0.000 1.708 192 C CB -0.915 25.865 27.740 -1.600 0.000 1.860 192 C HN 0.838 nan 8.230 nan 0.000 0.589 193 G N -0.051 108.351 108.800 -0.663 0.000 2.159 193 G HA2 0.305 4.265 3.960 0.000 0.000 0.227 193 G HA3 0.305 4.265 3.960 0.000 0.000 0.227 193 G C 0.452 175.191 174.900 -0.269 0.000 0.986 193 G CA 0.003 44.880 45.100 -0.372 0.000 0.651 193 G HN 1.620 nan 8.290 nan 0.000 0.523 194 G N -2.004 106.620 108.800 -0.294 0.000 2.566 194 G HA2 0.323 4.283 3.960 0.000 0.000 0.599 194 G HA3 0.323 4.283 3.960 0.000 0.000 0.599 194 G C 1.012 175.859 174.900 -0.088 0.000 1.292 194 G CA 0.976 45.972 45.100 -0.173 0.000 0.922 194 G HN 1.818 nan 8.290 nan 0.000 0.514 195 T N -2.960 111.593 114.554 -0.002 0.000 2.708 195 T HA -0.085 4.265 4.350 0.000 0.000 0.266 195 T C 2.366 177.065 174.700 -0.002 0.000 1.037 195 T CA 2.894 65.048 62.100 0.090 0.000 1.146 195 T CB -0.845 68.127 68.868 0.173 0.000 0.865 195 T HN 0.963 nan 8.240 nan 0.000 0.435 196 T N 1.429 115.988 114.554 0.009 0.000 2.708 196 T HA -0.057 4.293 4.350 0.000 0.000 0.266 196 T C 2.128 176.776 174.700 -0.086 0.000 1.037 196 T CA 1.576 63.645 62.100 -0.052 0.000 1.146 196 T CB -0.323 68.569 68.868 0.040 0.000 0.865 196 T HN 0.302 nan 8.240 nan 0.000 0.435 197 R N 0.870 121.343 120.500 -0.045 0.000 2.081 197 R HA 0.148 4.488 4.340 0.000 0.000 0.235 197 R C 2.203 178.538 176.300 0.057 0.000 1.131 197 R CA 1.137 57.238 56.100 0.002 0.000 0.960 197 R CB -0.802 29.486 30.300 -0.020 0.000 0.856 197 R HN 0.459 nan 8.270 nan 0.000 0.436 198 I N 0.353 120.929 120.570 0.009 0.000 2.439 198 I HA -0.138 4.032 4.170 0.000 0.000 0.251 198 I C 1.598 177.796 176.117 0.135 0.000 1.139 198 I CA 1.128 62.490 61.300 0.103 0.000 1.438 198 I CB 0.100 38.138 38.000 0.064 0.000 1.085 198 I HN 0.332 nan 8.210 nan 0.000 0.427 199 I N -2.776 117.812 120.570 0.030 0.000 3.728 199 I HA 0.158 4.328 4.170 0.000 0.000 0.307 199 I C 0.660 176.699 176.117 -0.130 0.000 1.276 199 I CA -0.076 61.190 61.300 -0.058 0.000 1.285 199 I CB -0.033 37.824 38.000 -0.239 0.000 1.038 199 I HN -0.104 nan 8.210 nan 0.000 0.445 200 S N 1.313 116.943 115.700 -0.117 0.000 2.562 200 S HA 0.292 4.762 4.470 0.000 0.000 0.275 200 S C 0.925 175.485 174.600 -0.067 0.000 1.281 200 S CA -0.351 57.781 58.200 -0.112 0.000 1.045 200 S CB 1.730 64.867 63.200 -0.105 0.000 0.962 200 S HN 0.290 nan 8.310 nan 0.000 0.503 201 T N 2.373 116.885 114.554 -0.070 0.000 2.764 201 T HA 0.015 4.365 4.350 0.000 0.000 0.243 201 T C 0.607 175.263 174.700 -0.073 0.000 1.065 201 T CA 0.682 62.731 62.100 -0.085 0.000 1.219 201 T CB -0.354 68.463 68.868 -0.085 0.000 0.918 201 T HN 0.609 nan 8.240 nan 0.000 0.409 202 T N 3.593 118.111 114.554 -0.059 0.000 2.831 202 T HA 0.099 4.449 4.350 0.000 0.000 0.291 202 T C 0.692 175.367 174.700 -0.041 0.000 0.981 202 T CA 0.389 62.462 62.100 -0.044 0.000 1.174 202 T CB -0.204 68.645 68.868 -0.031 0.000 0.929 202 T HN 0.514 nan 8.240 nan 0.000 0.532 203 N N 0.856 119.534 118.700 -0.036 0.000 2.782 203 N HA -0.144 4.596 4.740 0.000 0.000 0.251 203 N C 0.141 175.641 175.510 -0.016 0.000 1.101 203 N CA 1.424 54.459 53.050 -0.024 0.000 0.764 203 N CB -1.071 37.407 38.487 -0.014 0.000 1.122 203 N HN 0.962 nan 8.380 nan 0.000 0.561 204 G N -3.091 105.691 108.800 -0.030 0.000 2.975 204 G HA2 0.562 4.522 3.960 0.000 0.000 0.291 204 G HA3 0.562 4.522 3.960 0.000 0.000 0.291 204 G C 0.976 175.853 174.900 -0.039 0.000 1.334 204 G CA 0.015 45.118 45.100 0.005 0.000 0.843 204 G HN 0.303 nan 8.290 nan 0.000 0.548 205 G N -0.852 107.963 108.800 0.024 0.000 2.462 205 G HA2 -0.039 3.921 3.960 0.000 0.000 0.220 205 G HA3 -0.039 3.921 3.960 0.000 0.000 0.220 205 G C 1.171 176.002 174.900 -0.115 0.000 1.121 205 G CA 1.028 46.046 45.100 -0.137 0.000 0.758 205 G HN 0.407 nan 8.290 nan 0.000 0.559 206 Q N -0.384 119.351 119.800 -0.109 0.000 2.201 206 Q HA 0.277 4.617 4.340 0.000 0.000 0.217 206 Q C 1.631 177.520 176.000 -0.185 0.000 0.860 206 Q CA -0.108 55.552 55.803 -0.238 0.000 0.984 206 Q CB 0.709 29.213 28.738 -0.389 0.000 1.095 206 Q HN 0.638 nan 8.270 nan 0.000 0.477 207 E N 0.390 120.510 120.200 -0.133 0.000 2.106 207 E HA -0.059 4.291 4.350 0.000 0.000 0.192 207 E C -0.032 176.490 176.600 -0.129 0.000 0.984 207 E CA 0.725 57.055 56.400 -0.118 0.000 0.806 207 E CB 0.446 30.080 29.700 -0.110 0.000 0.750 207 E HN 0.149 nan 8.360 nan 0.000 0.458 208 R N -0.726 119.678 120.500 -0.159 0.000 2.808 208 R HA 0.449 4.789 4.340 0.000 0.000 0.272 208 R C -1.107 174.986 176.300 -0.344 0.000 0.995 208 R CA -0.718 55.214 56.100 -0.280 0.000 0.917 208 R CB 2.041 32.155 30.300 -0.310 0.000 1.217 208 R HN -0.174 nan 8.270 nan 0.000 0.471 209 K N 0.717 120.748 120.400 -0.616 0.000 2.400 209 K HA 0.430 4.750 4.320 0.000 0.000 0.246 209 K C -1.120 175.160 176.600 -0.534 0.000 0.995 209 K CA -0.687 55.245 56.287 -0.592 0.000 0.840 209 K CB 1.588 33.785 32.500 -0.506 0.000 1.293 209 K HN 0.252 nan 8.250 nan 0.000 0.445 210 F N 1.192 121.083 119.950 -0.099 0.000 2.427 210 F HA 0.133 4.660 4.527 -0.000 0.000 0.352 210 F C 0.480 176.334 175.800 0.090 0.000 1.100 210 F CA -0.925 57.064 58.000 -0.019 0.000 1.191 210 F CB 0.926 39.891 39.000 -0.058 0.000 1.128 210 F HN 0.025 nan 8.300 nan 0.000 0.533 211 V N 3.993 124.115 119.914 0.346 0.000 2.509 211 V HA 0.167 4.287 4.120 0.000 0.000 0.297 211 V C 0.981 176.976 176.094 -0.164 0.000 1.014 211 V CA 1.317 63.742 62.300 0.209 0.000 1.127 211 V CB 0.037 31.962 31.823 0.171 0.000 0.925 211 V HN 1.119 nan 8.190 nan 0.000 0.480 212 G N 3.286 111.582 108.800 -0.839 0.000 2.199 212 G HA2 0.137 4.097 3.960 0.000 0.000 0.254 212 G HA3 0.137 4.097 3.960 0.000 0.000 0.254 212 G C 0.793 175.184 174.900 -0.849 0.000 0.982 212 G CA -0.049 44.284 45.100 -1.278 0.000 0.632 212 G HN 2.453 nan 8.290 nan 0.000 0.529 213 G N -1.522 107.056 108.800 -0.370 0.000 2.650 213 G HA2 0.374 4.334 3.960 0.000 0.000 0.686 213 G HA3 0.374 4.334 3.960 0.000 0.000 0.686 213 G C 0.804 175.718 174.900 0.023 0.000 1.205 213 G CA 0.836 45.913 45.100 -0.040 0.000 0.781 213 G HN 1.870 nan 8.290 nan 0.000 0.648 214 S N 0.034 115.804 115.700 0.116 0.000 2.453 214 S HA 0.126 4.596 4.470 0.000 0.000 0.231 214 S C 2.546 177.140 174.600 -0.009 0.000 1.005 214 S CA 1.640 59.912 58.200 0.121 0.000 0.949 214 S CB -0.061 63.261 63.200 0.204 0.000 0.774 214 S HN 2.174 nan 8.310 nan 0.000 0.510 215 G N 1.445 110.248 108.800 0.006 0.000 2.462 215 G HA2 -0.200 3.760 3.960 0.000 0.000 0.220 215 G HA3 -0.200 3.760 3.960 0.000 0.000 0.220 215 G C 1.446 176.319 174.900 -0.046 0.000 1.121 215 G CA 0.702 45.807 45.100 0.008 0.000 0.758 215 G HN 0.632 nan 8.290 nan 0.000 0.559 216 Q N -0.226 119.513 119.800 -0.101 0.000 2.234 216 Q HA -0.069 4.271 4.340 0.000 0.000 0.206 216 Q C 2.744 178.649 176.000 -0.158 0.000 0.980 216 Q CA 1.016 56.738 55.803 -0.135 0.000 0.869 216 Q CB -0.188 28.445 28.738 -0.176 0.000 0.912 216 Q HN 0.440 nan 8.270 nan 0.000 0.436 217 V N 0.222 120.016 119.914 -0.200 0.000 2.255 217 V HA -0.292 3.828 4.120 0.000 0.000 0.247 217 V C 2.128 178.159 176.094 -0.106 0.000 1.051 217 V CA 2.171 64.354 62.300 -0.195 0.000 1.018 217 V CB -0.605 31.088 31.823 -0.217 0.000 0.641 217 V HN 0.299 nan 8.190 nan 0.000 0.445 218 S N -0.749 114.914 115.700 -0.062 0.000 2.383 218 S HA -0.177 4.293 4.470 0.000 0.000 0.227 218 S C 1.906 176.485 174.600 -0.035 0.000 1.026 218 S CA 1.384 59.566 58.200 -0.031 0.000 0.981 218 S CB -0.257 62.947 63.200 0.006 0.000 0.818 218 S HN 0.684 nan 8.310 nan 0.000 0.472 219 E N 1.127 121.305 120.200 -0.036 0.000 2.051 219 E HA -0.112 4.238 4.350 0.000 0.000 0.192 219 E C 2.336 178.906 176.600 -0.051 0.000 0.991 219 E CA 0.944 57.323 56.400 -0.035 0.000 0.799 219 E CB -0.097 29.582 29.700 -0.035 0.000 0.748 219 E HN 0.360 nan 8.360 nan 0.000 0.449 220 R N 0.203 120.662 120.500 -0.069 0.000 2.115 220 R HA -0.029 4.311 4.340 0.000 0.000 0.226 220 R C 2.321 178.579 176.300 -0.070 0.000 1.100 220 R CA 0.815 56.871 56.100 -0.072 0.000 0.980 220 R CB -0.153 30.094 30.300 -0.088 0.000 0.875 220 R HN 0.220 nan 8.270 nan 0.000 0.445 221 I N 0.573 121.100 120.570 -0.071 0.000 2.353 221 I HA -0.255 3.915 4.170 0.000 0.000 0.248 221 I C 2.634 178.703 176.117 -0.080 0.000 1.119 221 I CA 1.029 62.285 61.300 -0.074 0.000 1.417 221 I CB -0.158 37.804 38.000 -0.064 0.000 1.078 221 I HN 0.191 nan 8.210 nan 0.000 0.421 222 M N 0.916 120.478 119.600 -0.063 0.000 2.108 222 M HA -0.252 4.228 4.480 0.000 0.000 0.261 222 M C 1.660 177.921 176.300 -0.064 0.000 1.066 222 M CA 1.971 57.235 55.300 -0.060 0.000 1.107 222 M CB -0.209 32.367 32.600 -0.039 0.000 1.356 222 M HN 0.135 nan 8.290 nan 0.000 0.406 223 D N 0.773 121.139 120.400 -0.057 0.000 2.104 223 D HA -0.174 4.466 4.640 0.000 0.000 0.194 223 D C 2.055 178.316 176.300 -0.064 0.000 0.994 223 D CA 1.530 55.499 54.000 -0.051 0.000 0.830 223 D CB -0.535 40.238 40.800 -0.045 0.000 0.959 223 D HN 0.438 nan 8.370 nan 0.000 0.452 224 L N 0.082 121.255 121.223 -0.083 0.000 2.083 224 L HA -0.115 4.225 4.340 0.000 0.000 0.209 224 L C 2.411 179.170 176.870 -0.185 0.000 1.083 224 L CA 0.695 55.471 54.840 -0.108 0.000 0.752 224 L CB -0.268 41.724 42.059 -0.111 0.000 0.899 224 L HN 0.031 nan 8.230 nan 0.000 0.433 225 L N -1.103 119.997 121.223 -0.205 0.000 2.418 225 L HA 0.115 4.455 4.340 0.000 0.000 0.218 225 L C 1.738 178.527 176.870 -0.134 0.000 1.125 225 L CA 0.401 55.083 54.840 -0.262 0.000 0.835 225 L CB -0.741 41.187 42.059 -0.218 0.000 0.953 225 L HN 0.444 nan 8.230 nan 0.000 0.454 226 G N 2.051 110.801 108.800 -0.085 0.000 2.629 226 G HA2 -0.467 3.493 3.960 0.000 0.000 0.313 226 G HA3 -0.467 3.493 3.960 0.000 0.000 0.313 226 G C 0.520 175.403 174.900 -0.028 0.000 1.217 226 G CA 0.647 45.722 45.100 -0.042 0.000 0.994 226 G HN 0.535 nan 8.290 nan 0.000 0.549 227 D N 0.968 121.362 120.400 -0.010 0.000 2.336 227 D HA 0.090 4.730 4.640 0.000 0.000 0.229 227 D C 2.044 178.350 176.300 0.010 0.000 1.061 227 D CA 0.669 54.671 54.000 0.004 0.000 0.875 227 D CB -0.284 40.527 40.800 0.017 0.000 0.904 227 D HN 0.629 nan 8.370 nan 0.000 0.525 228 R N -0.086 120.410 120.500 -0.007 0.000 2.189 228 R HA 0.098 4.438 4.340 0.000 0.000 0.218 228 R C 0.247 176.530 176.300 -0.028 0.000 1.074 228 R CA 0.305 56.402 56.100 -0.005 0.000 0.991 228 R CB 0.251 30.541 30.300 -0.016 0.000 0.883 228 R HN 0.094 nan 8.270 nan 0.000 0.457 229 V N 2.973 122.864 119.914 -0.038 0.000 2.406 229 V HA 0.116 4.236 4.120 0.000 0.000 0.272 229 V C -0.103 175.968 176.094 -0.038 0.000 1.043 229 V CA -0.366 61.905 62.300 -0.048 0.000 0.915 229 V CB 1.325 33.119 31.823 -0.047 0.000 0.988 229 V HN 0.041 nan 8.190 nan 0.000 0.466 230 K N 6.473 126.837 120.400 -0.060 0.000 2.389 230 K HA 0.534 4.854 4.320 0.000 0.000 0.261 230 K C -0.674 175.893 176.600 -0.056 0.000 1.014 230 K CA -0.312 55.949 56.287 -0.043 0.000 0.920 230 K CB 1.807 34.271 32.500 -0.060 0.000 1.149 230 K HN 0.504 nan 8.250 nan 0.000 0.444 231 L N 1.575 122.778 121.223 -0.034 0.000 2.399 231 L HA 0.171 4.511 4.340 0.000 0.000 0.266 231 L C 0.735 177.579 176.870 -0.043 0.000 1.114 231 L CA -0.160 54.655 54.840 -0.042 0.000 0.804 231 L CB 0.255 42.300 42.059 -0.023 0.000 1.146 231 L HN 0.705 nan 8.230 nan 0.000 0.451 232 E N 0.613 120.773 120.200 -0.066 0.000 2.389 232 E HA -0.229 4.121 4.350 0.000 0.000 0.243 232 E C -0.513 176.048 176.600 -0.065 0.000 1.154 232 E CA 0.299 56.658 56.400 -0.067 0.000 0.723 232 E CB -0.788 28.894 29.700 -0.029 0.000 1.261 232 E HN 0.371 nan 8.360 nan 0.000 0.390 233 R N 0.152 120.595 120.500 -0.095 0.000 2.724 233 R HA 0.248 4.588 4.340 0.000 0.000 0.284 233 R C -2.719 173.502 176.300 -0.133 0.000 1.481 233 R CA -1.957 54.093 56.100 -0.083 0.000 1.652 233 R CB 0.614 30.867 30.300 -0.078 0.000 1.175 233 R HN -0.018 nan 8.270 nan 0.000 0.613 234 P HA 0.013 nan 4.420 nan 0.000 0.271 234 P C -0.303 176.953 177.300 -0.072 0.000 1.226 234 P CA -0.168 62.824 63.100 -0.180 0.000 0.765 234 P CB 0.907 32.514 31.700 -0.155 0.000 0.835 235 V N 5.564 125.445 119.914 -0.056 0.000 2.555 235 V HA 0.050 4.170 4.120 0.000 0.000 0.286 235 V C 1.712 177.817 176.094 0.018 0.000 1.044 235 V CA 0.473 62.762 62.300 -0.019 0.000 1.026 235 V CB 0.268 32.071 31.823 -0.034 0.000 0.981 235 V HN 0.547 nan 8.190 nan 0.000 0.480 236 I N 1.642 122.235 120.570 0.039 0.000 4.323 236 I HA 0.447 4.617 4.170 0.000 0.000 0.328 236 I C -0.020 176.185 176.117 0.147 0.000 1.310 236 I CA 0.104 61.457 61.300 0.088 0.000 1.186 236 I CB 0.663 38.694 38.000 0.051 0.000 1.130 236 I HN 0.500 nan 8.210 nan 0.000 0.411 237 Y N 1.985 122.230 120.300 -0.092 0.000 2.390 237 Y HA 0.680 5.230 4.550 -0.000 0.000 0.324 237 Y C -1.859 173.961 175.900 -0.134 0.000 1.151 237 Y CA -1.528 56.501 58.100 -0.117 0.000 1.053 237 Y CB 1.611 40.032 38.460 -0.066 0.000 1.277 237 Y HN -0.009 nan 8.280 nan 0.000 0.432 238 I N 5.843 125.993 120.570 -0.700 0.000 2.447 238 I HA 0.312 4.482 4.170 0.000 0.000 0.287 238 I C -1.322 174.410 176.117 -0.643 0.000 1.023 238 I CA -0.698 60.282 61.300 -0.534 0.000 1.083 238 I CB 1.834 39.675 38.000 -0.264 0.000 1.245 238 I HN 0.519 nan 8.210 nan 0.000 0.434 239 D N 6.083 126.177 120.400 -0.511 0.000 2.425 239 D HA 0.276 4.916 4.640 0.000 0.000 0.240 239 D C -0.346 175.888 176.300 -0.110 0.000 1.080 239 D CA -0.221 53.583 54.000 -0.328 0.000 0.836 239 D CB 1.651 42.299 40.800 -0.253 0.000 1.125 239 D HN 0.511 nan 8.370 nan 0.000 0.525 240 Q N 1.839 121.613 119.800 -0.044 0.000 2.157 240 Q HA 0.085 4.425 4.340 0.000 0.000 0.229 240 Q C 1.120 177.120 176.000 -0.001 0.000 0.827 240 Q CA -0.021 55.774 55.803 -0.013 0.000 1.055 240 Q CB 0.836 29.579 28.738 0.009 0.000 1.157 240 Q HN 0.567 nan 8.270 nan 0.000 0.482 241 T N -2.701 111.857 114.554 0.007 0.000 3.067 241 T HA 0.127 4.477 4.350 0.000 0.000 0.261 241 T C 0.930 175.637 174.700 0.012 0.000 1.110 241 T CA 0.185 62.296 62.100 0.019 0.000 1.113 241 T CB 0.313 69.202 68.868 0.036 0.000 0.917 241 T HN 0.070 nan 8.240 nan 0.000 0.499 242 R N 0.262 120.764 120.500 0.004 0.000 2.944 242 R HA 0.502 4.842 4.340 0.000 0.000 0.233 242 R C 1.454 177.745 176.300 -0.015 0.000 1.346 242 R CA -0.689 55.410 56.100 -0.000 0.000 1.082 242 R CB 0.751 31.055 30.300 0.006 0.000 1.434 242 R HN 0.147 nan 8.270 nan 0.000 0.510 243 E N 0.650 120.840 120.200 -0.017 0.000 2.058 243 E HA -0.145 4.205 4.350 0.000 0.000 0.194 243 E C -0.252 176.317 176.600 -0.052 0.000 0.997 243 E CA 1.193 57.575 56.400 -0.030 0.000 0.801 243 E CB 0.177 29.863 29.700 -0.024 0.000 0.746 243 E HN 0.278 nan 8.360 nan 0.000 0.450 244 N N 0.183 118.857 118.700 -0.043 0.000 2.456 244 N HA 0.183 4.923 4.740 0.000 0.000 0.296 244 N C -1.054 174.430 175.510 -0.043 0.000 1.102 244 N CA -0.426 52.591 53.050 -0.055 0.000 0.924 244 N CB 2.049 40.515 38.487 -0.035 0.000 1.186 244 N HN -0.126 nan 8.380 nan 0.000 0.492 245 V N 2.141 122.023 119.914 -0.054 0.000 2.637 245 V HA 0.175 4.295 4.120 0.000 0.000 0.296 245 V C 0.465 176.552 176.094 -0.012 0.000 1.046 245 V CA -0.231 62.048 62.300 -0.035 0.000 1.066 245 V CB 0.188 31.993 31.823 -0.030 0.000 0.968 245 V HN 0.358 nan 8.190 nan 0.000 0.483 246 L N 5.440 126.651 121.223 -0.020 0.000 2.296 246 L HA 0.623 4.963 4.340 0.000 0.000 0.286 246 L C -0.684 176.180 176.870 -0.011 0.000 1.023 246 L CA -0.621 54.224 54.840 0.008 0.000 0.812 246 L CB 1.842 43.918 42.059 0.029 0.000 1.223 246 L HN 0.358 nan 8.230 nan 0.000 0.421 247 V N 2.553 122.504 119.914 0.062 0.000 2.407 247 V HA 0.348 4.468 4.120 0.000 0.000 0.291 247 V C -0.286 175.904 176.094 0.160 0.000 1.018 247 V CA -0.614 61.725 62.300 0.064 0.000 0.842 247 V CB 1.806 33.663 31.823 0.057 0.000 0.996 247 V HN 0.746 nan 8.190 nan 0.000 0.426 248 E N 2.972 123.262 120.200 0.151 0.000 2.191 248 E HA 0.648 4.998 4.350 0.000 0.000 0.274 248 E C -0.229 176.443 176.600 0.120 0.000 0.948 248 E CA -0.459 56.048 56.400 0.178 0.000 0.802 248 E CB 1.810 31.644 29.700 0.223 0.000 1.137 248 E HN 0.835 nan 8.360 nan 0.000 0.397 249 T N 1.075 115.694 114.554 0.108 0.000 2.944 249 T HA 0.195 4.545 4.350 0.000 0.000 0.284 249 T C 0.953 175.618 174.700 -0.059 0.000 1.010 249 T CA -0.844 61.278 62.100 0.036 0.000 1.025 249 T CB 1.150 70.058 68.868 0.067 0.000 1.079 249 T HN 0.447 nan 8.240 nan 0.000 0.516 250 L N 1.660 122.827 121.223 -0.094 0.000 2.083 250 L HA 0.021 4.361 4.340 0.000 0.000 0.209 250 L C 1.888 178.519 176.870 -0.398 0.000 1.083 250 L CA 2.079 56.806 54.840 -0.188 0.000 0.752 250 L CB -1.146 40.860 42.059 -0.090 0.000 0.899 250 L HN 0.939 nan 8.230 nan 0.000 0.433 251 N N -2.718 115.849 118.700 -0.222 0.000 2.413 251 N HA -0.076 4.664 4.740 0.000 0.000 0.207 251 N C 0.098 175.594 175.510 -0.023 0.000 1.206 251 N CA 0.567 53.536 53.050 -0.136 0.000 0.832 251 N CB -0.337 38.156 38.487 0.010 0.000 1.037 251 N HN 0.528 nan 8.380 nan 0.000 0.467 252 H N -3.039 116.049 119.070 0.029 0.000 3.636 252 H HA -0.156 4.400 4.556 -0.000 0.000 0.179 252 H C -0.753 174.584 175.328 0.015 0.000 0.968 252 H CA 1.029 57.086 56.048 0.014 0.000 1.220 252 H CB -1.627 28.133 29.762 -0.003 0.000 1.023 252 H HN 0.515 nan 8.280 nan 0.000 0.366 253 E N 1.614 121.876 120.200 0.103 0.000 2.390 253 E HA 0.295 4.645 4.350 0.000 0.000 0.261 253 E C 0.216 176.836 176.600 0.032 0.000 1.076 253 E CA -0.071 56.354 56.400 0.042 0.000 0.905 253 E CB 0.612 30.368 29.700 0.092 0.000 0.984 253 E HN 0.072 nan 8.360 nan 0.000 0.427 254 M N 2.412 121.931 119.600 -0.136 0.000 2.321 254 M HA 0.342 4.822 4.480 0.000 0.000 0.315 254 M C -1.324 174.788 176.300 -0.313 0.000 1.052 254 M CA -0.624 54.627 55.300 -0.082 0.000 0.936 254 M CB 0.976 33.551 32.600 -0.042 0.000 1.639 254 M HN 0.466 nan 8.290 nan 0.000 0.433 255 Y N 0.388 120.699 120.300 0.018 0.000 2.446 255 Y HA 0.503 5.053 4.550 -0.000 0.000 0.345 255 Y C 0.034 175.937 175.900 0.005 0.000 0.984 255 Y CA -0.681 57.425 58.100 0.010 0.000 1.058 255 Y CB 1.800 40.263 38.460 0.006 0.000 1.220 255 Y HN 0.573 nan 8.280 nan 0.000 0.455 256 E N 1.803 122.075 120.200 0.119 0.000 2.199 256 E HA 0.833 5.183 4.350 0.000 0.000 0.265 256 E C -1.525 175.113 176.600 0.062 0.000 0.882 256 E CA -0.671 55.767 56.400 0.062 0.000 0.759 256 E CB 1.296 31.009 29.700 0.021 0.000 1.148 256 E HN 0.770 nan 8.360 nan 0.000 0.412 257 A N 3.565 126.406 122.820 0.035 0.000 2.594 257 A HA 0.373 4.693 4.320 0.000 0.000 0.291 257 A C -0.057 177.500 177.584 -0.046 0.000 1.105 257 A CA -0.646 51.404 52.037 0.022 0.000 0.694 257 A CB 1.499 20.532 19.000 0.055 0.000 1.291 257 A HN 0.673 nan 8.150 nan 0.000 0.410 258 K N -0.801 119.553 120.400 -0.077 0.000 2.116 258 K HA 0.096 4.416 4.320 0.000 0.000 0.203 258 K C -0.671 175.586 176.600 -0.571 0.000 1.052 258 K CA 1.493 57.599 56.287 -0.301 0.000 0.952 258 K CB -0.068 32.291 32.500 -0.236 0.000 0.729 258 K HN 0.603 nan 8.250 nan 0.000 0.446 259 Y N -1.283 119.037 120.300 0.034 0.000 2.615 259 Y HA 0.389 4.939 4.550 -0.000 0.000 0.341 259 Y C -0.666 175.258 175.900 0.040 0.000 1.089 259 Y CA -1.300 56.835 58.100 0.058 0.000 1.049 259 Y CB 1.842 40.330 38.460 0.047 0.000 1.296 259 Y HN -0.424 nan 8.280 nan 0.000 0.470 260 V N 3.066 123.117 119.914 0.227 0.000 2.735 260 V HA 0.484 4.604 4.120 0.000 0.000 0.310 260 V C -0.646 175.494 176.094 0.076 0.000 1.061 260 V CA -0.866 61.496 62.300 0.102 0.000 0.913 260 V CB 2.135 33.985 31.823 0.046 0.000 1.005 260 V HN 0.541 nan 8.190 nan 0.000 0.428 261 I N 2.732 123.317 120.570 0.024 0.000 2.339 261 I HA 0.339 4.509 4.170 0.000 0.000 0.290 261 I C 0.290 176.389 176.117 -0.030 0.000 0.994 261 I CA -0.153 61.139 61.300 -0.015 0.000 1.191 261 I CB 1.891 39.892 38.000 0.001 0.000 1.343 261 I HN 0.599 nan 8.210 nan 0.000 0.458 262 S N 5.342 120.988 115.700 -0.090 0.000 2.399 262 S HA 0.506 4.976 4.470 0.000 0.000 0.301 262 S C 0.461 175.139 174.600 0.130 0.000 1.093 262 S CA -0.460 57.765 58.200 0.043 0.000 1.077 262 S CB 0.529 63.798 63.200 0.115 0.000 0.980 262 S HN 0.718 nan 8.310 nan 0.000 0.494 263 A N 5.848 128.733 122.820 0.109 0.000 2.827 263 A HA 0.444 4.764 4.320 0.000 0.000 0.300 263 A C 0.375 178.036 177.584 0.128 0.000 1.237 263 A CA -0.666 51.441 52.037 0.117 0.000 0.964 263 A CB -0.507 18.537 19.000 0.075 0.000 1.143 263 A HN 0.902 nan 8.150 nan 0.000 0.554 264 I N -3.903 116.760 120.570 0.155 0.000 2.750 264 I HA 0.671 4.841 4.170 0.000 0.000 0.308 264 I C -2.900 173.311 176.117 0.156 0.000 1.016 264 I CA -3.068 58.320 61.300 0.148 0.000 1.098 264 I CB 1.379 39.467 38.000 0.147 0.000 1.279 264 I HN -0.163 nan 8.210 nan 0.000 0.454 265 P HA 0.124 nan 4.420 nan 0.000 0.265 265 P C -2.176 175.174 177.300 0.083 0.000 1.187 265 P CA -0.603 62.562 63.100 0.108 0.000 0.766 265 P CB -0.023 31.728 31.700 0.084 0.000 0.820 266 P HA -0.235 nan 4.420 nan 0.000 0.216 266 P C 1.621 178.899 177.300 -0.036 0.000 1.157 266 P CA 1.908 65.007 63.100 -0.001 0.000 0.880 266 P CB -0.270 31.398 31.700 -0.053 0.000 0.791 267 T N -1.368 113.138 114.554 -0.079 0.000 2.881 267 T HA -0.071 4.279 4.350 0.000 0.000 0.270 267 T C 1.534 176.219 174.700 -0.025 0.000 1.068 267 T CA 0.734 62.777 62.100 -0.095 0.000 1.131 267 T CB -0.827 67.948 68.868 -0.154 0.000 0.871 267 T HN -0.041 nan 8.240 nan 0.000 0.479 268 L N 0.435 121.673 121.223 0.024 0.000 2.456 268 L HA 0.107 4.447 4.340 0.000 0.000 0.224 268 L C 2.801 179.739 176.870 0.114 0.000 1.148 268 L CA 0.722 55.604 54.840 0.071 0.000 0.825 268 L CB -0.772 41.354 42.059 0.113 0.000 0.937 268 L HN 0.362 nan 8.230 nan 0.000 0.450 269 G N -0.064 108.814 108.800 0.131 0.000 2.479 269 G HA2 -0.266 3.694 3.960 0.000 0.000 0.220 269 G HA3 -0.266 3.694 3.960 0.000 0.000 0.220 269 G C 1.597 176.631 174.900 0.224 0.000 1.115 269 G CA 0.300 45.537 45.100 0.228 0.000 0.757 269 G HN 0.166 nan 8.290 nan 0.000 0.560 270 M N 0.348 120.007 119.600 0.098 0.000 2.358 270 M HA -0.006 4.474 4.480 0.000 0.000 0.264 270 M C 2.049 178.357 176.300 0.014 0.000 1.064 270 M CA 1.016 56.343 55.300 0.045 0.000 1.093 270 M CB -0.485 32.104 32.600 -0.019 0.000 1.401 270 M HN 0.244 nan 8.290 nan 0.000 0.440 271 K N 0.131 120.560 120.400 0.049 0.000 2.525 271 K HA 0.170 4.490 4.320 0.000 0.000 0.192 271 K C 0.355 176.991 176.600 0.060 0.000 1.029 271 K CA 0.399 56.721 56.287 0.057 0.000 1.029 271 K CB 0.164 32.733 32.500 0.115 0.000 0.814 271 K HN 0.329 nan 8.250 nan 0.000 0.503 272 I N 1.377 121.944 120.570 -0.005 0.000 2.404 272 I HA 0.136 4.306 4.170 0.000 0.000 0.293 272 I C 0.082 176.014 176.117 -0.307 0.000 0.992 272 I CA -0.767 60.432 61.300 -0.168 0.000 1.149 272 I CB 1.298 39.060 38.000 -0.397 0.000 1.315 272 I HN 0.049 nan 8.210 nan 0.000 0.446 273 H N 6.201 125.151 119.070 -0.200 0.000 2.620 273 H HA 0.327 4.883 4.556 -0.000 0.000 0.313 273 H C -1.063 174.154 175.328 -0.185 0.000 1.075 273 H CA -0.127 55.906 56.048 -0.025 0.000 1.397 273 H CB 1.074 30.920 29.762 0.140 0.000 1.446 273 H HN 0.330 nan 8.280 nan 0.000 0.493 274 F N 2.030 122.077 119.950 0.162 0.000 2.443 274 F HA 0.162 4.689 4.527 0.000 0.000 0.335 274 F C 0.632 176.472 175.800 0.066 0.000 1.104 274 F CA -0.702 57.325 58.000 0.044 0.000 1.013 274 F CB 1.314 40.328 39.000 0.024 0.000 1.136 274 F HN 0.473 nan 8.300 nan 0.000 0.470 275 N N 4.468 123.248 118.700 0.134 0.000 2.461 275 N HA 0.413 5.153 4.740 0.000 0.000 0.284 275 N C -3.016 172.539 175.510 0.075 0.000 1.049 275 N CA -2.351 50.774 53.050 0.125 0.000 0.889 275 N CB 2.098 40.683 38.487 0.163 0.000 1.365 275 N HN 0.068 nan 8.380 nan 0.000 0.499 276 P HA 0.302 nan 4.420 nan 0.000 0.273 276 P C -2.633 174.739 177.300 0.121 0.000 1.250 276 P CA -0.945 62.210 63.100 0.093 0.000 0.793 276 P CB -0.368 31.367 31.700 0.058 0.000 1.011 277 P HA 0.084 nan 4.420 nan 0.000 0.269 277 P C 0.120 177.433 177.300 0.021 0.000 1.217 277 P CA 0.222 63.382 63.100 0.100 0.000 0.783 277 P CB 0.180 31.920 31.700 0.067 0.000 0.898 278 L N 3.012 124.198 121.223 -0.062 0.000 2.482 278 L HA 0.132 4.472 4.340 0.000 0.000 0.273 278 L C -1.664 175.147 176.870 -0.098 0.000 1.228 278 L CA -1.550 53.181 54.840 -0.182 0.000 0.827 278 L CB -0.708 41.149 42.059 -0.337 0.000 1.099 278 L HN 0.299 nan 8.230 nan 0.000 0.494 279 P HA -0.050 nan 4.420 nan 0.000 0.267 279 P C 0.661 177.926 177.300 -0.058 0.000 1.200 279 P CA -0.182 62.881 63.100 -0.062 0.000 0.772 279 P CB 0.466 32.129 31.700 -0.062 0.000 0.855 280 M N 2.121 121.701 119.600 -0.034 0.000 2.103 280 M HA -0.249 4.231 4.480 0.000 0.000 0.255 280 M C 1.166 177.469 176.300 0.006 0.000 1.074 280 M CA 2.367 57.658 55.300 -0.016 0.000 1.090 280 M CB -0.394 32.201 32.600 -0.008 0.000 1.325 280 M HN 0.178 nan 8.290 nan 0.000 0.403 281 M N -0.398 119.204 119.600 0.002 0.000 2.132 281 M HA -0.140 4.340 4.480 0.000 0.000 0.263 281 M C 2.309 178.645 176.300 0.060 0.000 1.065 281 M CA 1.767 57.110 55.300 0.072 0.000 1.122 281 M CB -1.438 31.153 32.600 -0.015 0.000 1.365 281 M HN 0.450 nan 8.290 nan 0.000 0.411 282 R N 0.335 120.800 120.500 -0.059 0.000 2.090 282 R HA -0.153 4.187 4.340 0.000 0.000 0.228 282 R C 2.020 178.226 176.300 -0.156 0.000 1.110 282 R CA 1.600 57.614 56.100 -0.144 0.000 0.973 282 R CB -0.184 29.982 30.300 -0.224 0.000 0.869 282 R HN 0.319 nan 8.270 nan 0.000 0.440 283 N N 0.558 119.183 118.700 -0.124 0.000 2.061 283 N HA -0.232 4.508 4.740 0.000 0.000 0.193 283 N C 1.587 177.025 175.510 -0.120 0.000 1.030 283 N CA 1.994 54.979 53.050 -0.109 0.000 0.856 283 N CB -0.007 38.441 38.487 -0.066 0.000 1.023 283 N HN 0.346 nan 8.380 nan 0.000 0.424 284 Q N -1.023 118.711 119.800 -0.110 0.000 2.187 284 Q HA -0.062 4.278 4.340 0.000 0.000 0.199 284 Q C 2.009 177.741 176.000 -0.447 0.000 0.957 284 Q CA 0.655 56.334 55.803 -0.207 0.000 0.857 284 Q CB -0.132 28.547 28.738 -0.098 0.000 0.929 284 Q HN 0.500 nan 8.270 nan 0.000 0.453 285 M N 1.655 120.986 119.600 -0.449 0.000 2.082 285 M HA -0.177 4.303 4.480 0.000 0.000 0.258 285 M C 2.034 178.089 176.300 -0.409 0.000 1.069 285 M CA 1.695 56.672 55.300 -0.538 0.000 1.102 285 M CB -0.462 32.002 32.600 -0.227 0.000 1.336 285 M HN 0.311 nan 8.290 nan 0.000 0.404 286 I N -1.601 118.796 120.570 -0.289 0.000 3.334 286 I HA -0.072 4.098 4.170 0.000 0.000 0.282 286 I C 1.443 177.424 176.117 -0.226 0.000 1.313 286 I CA 1.361 62.522 61.300 -0.231 0.000 1.396 286 I CB -0.989 36.921 38.000 -0.150 0.000 1.054 286 I HN 0.315 nan 8.210 nan 0.000 0.495 287 T N -2.466 111.931 114.554 -0.261 0.000 3.069 287 T HA 0.288 4.638 4.350 0.000 0.000 0.252 287 T C 1.437 175.963 174.700 -0.290 0.000 1.053 287 T CA -0.235 61.724 62.100 -0.235 0.000 0.964 287 T CB -0.035 68.718 68.868 -0.191 0.000 1.005 287 T HN 0.426 nan 8.240 nan 0.000 0.532 288 R N 0.961 121.229 120.500 -0.388 0.000 2.543 288 R HA 0.331 4.671 4.340 0.000 0.000 0.323 288 R C -0.183 175.793 176.300 -0.539 0.000 1.002 288 R CA -0.018 55.826 56.100 -0.426 0.000 1.106 288 R CB 1.389 31.386 30.300 -0.506 0.000 1.280 288 R HN 0.425 nan 8.270 nan 0.000 0.549 289 V N -0.859 118.714 119.914 -0.569 0.000 2.467 289 V HA 0.457 4.577 4.120 0.000 0.000 0.260 289 V C -2.719 172.999 176.094 -0.627 0.000 0.963 289 V CA -2.318 59.522 62.300 -0.766 0.000 0.856 289 V CB 0.747 32.076 31.823 -0.824 0.000 1.087 289 V HN -0.106 nan 8.190 nan 0.000 0.467 290 P HA 0.501 nan 4.420 nan 0.000 0.276 290 P C -0.632 176.336 177.300 -0.552 0.000 1.252 290 P CA -0.320 62.434 63.100 -0.576 0.000 0.802 290 P CB 1.774 33.115 31.700 -0.597 0.000 1.035 291 L N 0.327 121.405 121.223 -0.241 0.000 2.375 291 L HA 0.571 4.911 4.340 0.000 0.000 0.268 291 L C 1.507 178.425 176.870 0.079 0.000 1.058 291 L CA -0.145 54.653 54.840 -0.069 0.000 0.803 291 L CB 0.358 42.411 42.059 -0.010 0.000 1.212 291 L HN 0.472 nan 8.230 nan 0.000 0.451 292 G N -0.027 108.850 108.800 0.129 0.000 2.631 292 G HA2 0.410 4.370 3.960 0.000 0.000 0.271 292 G HA3 0.410 4.370 3.960 0.000 0.000 0.271 292 G C -0.748 174.152 174.900 0.000 0.000 1.302 292 G CA -0.361 44.779 45.100 0.068 0.000 1.002 292 G HN 0.502 nan 8.290 nan 0.000 0.519 293 S N -1.448 114.222 115.700 -0.050 0.000 2.561 293 S HA 0.596 5.066 4.470 0.000 0.000 0.303 293 S C -1.045 173.537 174.600 -0.030 0.000 1.110 293 S CA -0.508 57.690 58.200 -0.004 0.000 1.034 293 S CB 1.733 64.941 63.200 0.014 0.000 1.010 293 S HN 0.831 nan 8.310 nan 0.000 0.482 294 V N 4.769 124.718 119.914 0.058 0.000 3.000 294 V HA 0.556 4.676 4.120 0.000 0.000 0.300 294 V C -1.955 174.299 176.094 0.266 0.000 1.251 294 V CA -0.713 61.655 62.300 0.112 0.000 0.972 294 V CB 1.754 33.578 31.823 0.001 0.000 1.065 294 V HN 0.886 nan 8.190 nan 0.000 0.431 295 I N 5.379 126.115 120.570 0.277 0.000 2.362 295 I HA 0.514 4.684 4.170 0.000 0.000 0.289 295 I C -0.211 176.144 176.117 0.397 0.000 0.994 295 I CA -0.619 60.862 61.300 0.301 0.000 1.158 295 I CB 1.698 39.815 38.000 0.196 0.000 1.315 295 I HN 0.527 nan 8.210 nan 0.000 0.451 296 K N 5.912 126.583 120.400 0.451 0.000 2.211 296 K HA 0.591 4.910 4.320 0.000 0.000 0.275 296 K C -1.452 175.273 176.600 0.209 0.000 1.024 296 K CA -0.282 56.245 56.287 0.401 0.000 0.887 296 K CB 0.991 33.789 32.500 0.497 0.000 1.084 296 K HN 0.689 nan 8.250 nan 0.000 0.463 297 C N 5.261 124.641 119.300 0.134 0.000 2.482 297 C HA 0.569 5.029 4.460 0.000 0.000 0.317 297 C C -0.995 174.053 174.990 0.097 0.000 1.197 297 C CA -1.057 58.037 59.018 0.126 0.000 1.432 297 C CB 0.156 28.073 27.740 0.295 0.000 2.062 297 C HN 0.743 nan 8.230 nan 0.000 0.471 298 I N 3.144 123.736 120.570 0.037 0.000 2.439 298 I HA 0.430 4.600 4.170 0.000 0.000 0.285 298 I C -0.293 175.849 176.117 0.043 0.000 1.021 298 I CA -0.150 61.128 61.300 -0.036 0.000 1.091 298 I CB 1.477 39.404 38.000 -0.121 0.000 1.242 298 I HN 0.340 nan 8.210 nan 0.000 0.439 299 V N 6.690 126.620 119.914 0.025 0.000 2.394 299 V HA 0.393 4.513 4.120 0.000 0.000 0.282 299 V C -0.638 175.279 176.094 -0.295 0.000 1.031 299 V CA -0.684 61.643 62.300 0.044 0.000 0.881 299 V CB 0.926 32.815 31.823 0.110 0.000 0.982 299 V HN 0.412 nan 8.190 nan 0.000 0.451 300 Y N 4.104 124.346 120.300 -0.097 0.000 2.361 300 Y HA 0.670 5.220 4.550 0.000 0.000 0.332 300 Y C -0.251 175.500 175.900 -0.249 0.000 1.101 300 Y CA -0.366 57.722 58.100 -0.020 0.000 1.137 300 Y CB 1.411 39.965 38.460 0.157 0.000 1.207 300 Y HN 0.532 nan 8.280 nan 0.000 0.463 301 Y N -0.145 120.404 120.300 0.415 0.000 2.609 301 Y HA 0.282 4.832 4.550 -0.000 0.000 0.342 301 Y C 1.088 177.132 175.900 0.240 0.000 1.058 301 Y CA -1.384 56.929 58.100 0.356 0.000 1.055 301 Y CB 1.901 40.662 38.460 0.501 0.000 1.292 301 Y HN 0.490 nan 8.280 nan 0.000 0.476 302 K N 0.393 121.013 120.400 0.367 0.000 2.057 302 K HA -0.058 4.262 4.320 0.000 0.000 0.207 302 K C -0.558 176.112 176.600 0.117 0.000 1.049 302 K CA 1.656 58.051 56.287 0.181 0.000 0.931 302 K CB 0.202 32.779 32.500 0.128 0.000 0.714 302 K HN 0.720 nan 8.250 nan 0.000 0.440 303 E N -0.672 119.611 120.200 0.138 0.000 2.393 303 E HA 0.208 4.558 4.350 0.000 0.000 0.273 303 E C -2.660 173.794 176.600 -0.243 0.000 0.918 303 E CA -2.329 54.055 56.400 -0.027 0.000 0.773 303 E CB 2.180 31.857 29.700 -0.038 0.000 1.275 303 E HN -0.035 nan 8.360 nan 0.000 0.451 304 P HA 0.032 nan 4.420 nan 0.000 0.230 304 P C 0.197 176.541 177.300 -1.593 0.000 1.791 304 P CA -0.019 62.116 63.100 -1.609 0.000 1.020 304 P CB -0.898 30.184 31.700 -1.030 0.000 1.977 305 F N -0.076 119.302 119.950 -0.953 0.000 2.333 305 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 305 F C 1.752 177.391 175.800 -0.269 0.000 1.083 305 F CA -0.121 57.622 58.000 -0.429 0.000 1.395 305 F CB -1.692 37.185 39.000 -0.205 0.000 1.056 305 F HN 0.122 nan 8.300 nan 0.000 0.529 306 W N 1.415 122.406 121.300 -0.515 0.000 2.374 306 W HA 0.014 4.674 4.660 0.000 0.000 0.288 306 W C 2.021 178.491 176.519 -0.082 0.000 1.218 306 W CA 0.908 58.138 57.345 -0.191 0.000 1.245 306 W CB -1.151 28.133 29.460 -0.294 0.000 1.126 306 W HN -0.139 nan 8.180 nan 0.000 0.545 307 R N 1.238 121.538 120.500 -0.332 0.000 2.127 307 R HA -0.101 4.239 4.340 0.000 0.000 0.238 307 R C 2.019 178.241 176.300 -0.129 0.000 1.134 307 R CA 1.783 57.782 56.100 -0.168 0.000 0.975 307 R CB -0.457 29.686 30.300 -0.261 0.000 0.865 307 R HN 0.305 nan 8.270 nan 0.000 0.447 308 K N 0.702 121.020 120.400 -0.136 0.000 2.209 308 K HA -0.110 4.210 4.320 0.000 0.000 0.204 308 K C 1.385 177.914 176.600 -0.118 0.000 1.048 308 K CA 1.043 57.272 56.287 -0.098 0.000 0.940 308 K CB 0.059 32.523 32.500 -0.060 0.000 0.729 308 K HN 0.125 nan 8.250 nan 0.000 0.451 309 K N 0.835 121.132 120.400 -0.171 0.000 2.437 309 K HA -0.029 4.291 4.320 0.000 0.000 0.198 309 K C -0.481 175.780 176.600 -0.564 0.000 1.024 309 K CA 0.096 56.158 56.287 -0.375 0.000 1.148 309 K CB 0.293 32.500 32.500 -0.488 0.000 0.860 309 K HN 0.016 nan 8.250 nan 0.000 0.515 310 D N 0.225 120.453 120.400 -0.286 0.000 2.746 310 D HA -0.216 4.424 4.640 0.000 0.000 0.236 310 D C -1.405 174.848 176.300 -0.077 0.000 1.129 310 D CA 0.907 54.809 54.000 -0.164 0.000 0.691 310 D CB -1.385 39.339 40.800 -0.126 0.000 1.077 310 D HN 0.344 nan 8.370 nan 0.000 0.432 311 Y N -1.001 119.338 120.300 0.065 0.000 2.393 311 Y HA 0.333 4.883 4.550 0.000 0.000 0.341 311 Y C 1.955 177.933 175.900 0.130 0.000 0.988 311 Y CA -0.962 57.177 58.100 0.064 0.000 1.078 311 Y CB 1.375 39.884 38.460 0.082 0.000 1.203 311 Y HN 0.248 nan 8.280 nan 0.000 0.453 312 C N -1.239 118.183 119.300 0.203 0.000 2.563 312 C HA 0.496 4.956 4.460 0.000 0.000 0.268 312 C C 1.681 176.724 174.990 0.089 0.000 1.365 312 C CA 0.521 59.634 59.018 0.158 0.000 1.754 312 C CB -0.788 26.970 27.740 0.029 0.000 1.932 312 C HN 1.227 nan 8.230 nan 0.000 0.536 313 G N -0.054 108.625 108.800 -0.202 0.000 2.231 313 G HA2 -0.140 3.820 3.960 0.000 0.000 0.206 313 G HA3 -0.140 3.820 3.960 0.000 0.000 0.206 313 G C 0.040 174.596 174.900 -0.573 0.000 0.996 313 G CA 0.180 44.833 45.100 -0.745 0.000 0.645 313 G HN 0.560 nan 8.290 nan 0.000 0.498 314 T N 2.382 116.705 114.554 -0.385 0.000 2.834 314 T HA 0.601 4.951 4.350 0.000 0.000 0.298 314 T C 0.335 174.831 174.700 -0.341 0.000 0.966 314 T CA 0.636 62.494 62.100 -0.404 0.000 1.141 314 T CB 0.773 69.466 68.868 -0.292 0.000 0.905 314 T HN 0.300 nan 8.240 nan 0.000 0.535 315 M N 4.005 123.388 119.600 -0.362 0.000 2.326 315 M HA 0.497 4.977 4.480 0.000 0.000 0.306 315 M C -0.934 175.378 176.300 0.019 0.000 1.054 315 M CA -0.594 54.618 55.300 -0.147 0.000 0.922 315 M CB 2.207 34.697 32.600 -0.184 0.000 1.632 315 M HN 0.411 nan 8.290 nan 0.000 0.436 316 I N 4.578 125.305 120.570 0.262 0.000 2.354 316 I HA 0.460 4.630 4.170 0.000 0.000 0.286 316 I C -0.904 175.496 176.117 0.472 0.000 1.007 316 I CA -0.274 61.283 61.300 0.430 0.000 1.167 316 I CB 1.131 39.388 38.000 0.429 0.000 1.320 316 I HN 0.605 nan 8.210 nan 0.000 0.458 317 I N 5.323 126.124 120.570 0.385 0.000 2.420 317 I HA 0.277 4.447 4.170 0.000 0.000 0.282 317 I C -0.275 176.027 176.117 0.309 0.000 1.019 317 I CA -0.540 60.964 61.300 0.341 0.000 1.130 317 I CB 1.279 39.419 38.000 0.234 0.000 1.262 317 I HN 0.469 nan 8.210 nan 0.000 0.454 318 D N 4.469 125.052 120.400 0.305 0.000 2.358 318 D HA 0.599 5.239 4.640 0.000 0.000 0.244 318 D C 0.300 176.710 176.300 0.183 0.000 1.163 318 D CA 0.799 54.942 54.000 0.238 0.000 0.945 318 D CB 1.726 42.653 40.800 0.211 0.000 1.152 318 D HN 0.798 nan 8.370 nan 0.000 0.451 319 G N 1.589 110.477 108.800 0.147 0.000 2.629 319 G HA2 -0.153 3.807 3.960 0.000 0.000 0.686 319 G HA3 -0.153 3.807 3.960 0.000 0.000 0.686 319 G C 0.429 175.401 174.900 0.121 0.000 1.232 319 G CA 0.232 45.403 45.100 0.120 0.000 0.803 319 G HN 0.474 nan 8.290 nan 0.000 0.638 320 E N 0.133 120.399 120.200 0.109 0.000 2.107 320 E HA -0.007 4.343 4.350 0.000 0.000 0.191 320 E C 2.171 178.835 176.600 0.106 0.000 0.982 320 E CA 2.350 58.826 56.400 0.127 0.000 0.809 320 E CB -0.058 29.713 29.700 0.117 0.000 0.756 320 E HN 0.635 nan 8.360 nan 0.000 0.459 321 E N 0.737 120.991 120.200 0.089 0.000 2.110 321 E HA 0.017 4.367 4.350 0.000 0.000 0.193 321 E C 0.487 177.123 176.600 0.060 0.000 0.988 321 E CA 0.984 57.426 56.400 0.070 0.000 0.804 321 E CB -0.458 29.282 29.700 0.066 0.000 0.745 321 E HN 0.308 nan 8.360 nan 0.000 0.458 322 A N 2.478 125.344 122.820 0.077 0.000 2.492 322 A HA 0.144 4.464 4.320 0.000 0.000 0.254 322 A C -1.361 176.254 177.584 0.052 0.000 1.091 322 A CA -1.059 51.018 52.037 0.067 0.000 0.768 322 A CB 0.128 19.191 19.000 0.104 0.000 1.028 322 A HN 0.011 nan 8.150 nan 0.000 0.498 323 P HA -0.033 nan 4.420 nan 0.000 0.219 323 P C 0.193 177.530 177.300 0.062 0.000 1.150 323 P CA 0.958 64.069 63.100 0.019 0.000 0.814 323 P CB 0.111 31.805 31.700 -0.010 0.000 0.787 324 V N 0.209 120.182 119.914 0.098 0.000 2.448 324 V HA 0.473 4.593 4.120 0.000 0.000 0.295 324 V C 1.126 177.347 176.094 0.212 0.000 1.025 324 V CA -0.170 62.239 62.300 0.181 0.000 0.859 324 V CB 1.369 33.330 31.823 0.230 0.000 0.988 324 V HN -0.030 nan 8.190 nan 0.000 0.431 325 A N 4.502 127.475 122.820 0.255 0.000 2.195 325 A HA 0.315 4.635 4.320 0.000 0.000 0.210 325 A C 0.160 177.977 177.584 0.387 0.000 1.165 325 A CA 0.598 52.805 52.037 0.282 0.000 0.806 325 A CB 0.167 19.316 19.000 0.249 0.000 0.847 325 A HN 0.774 nan 8.150 nan 0.000 0.482 326 Y N -0.203 120.230 120.300 0.222 0.000 2.482 326 Y HA 0.466 5.016 4.550 0.000 0.000 0.334 326 Y C -0.442 175.522 175.900 0.106 0.000 1.091 326 Y CA -0.425 57.792 58.100 0.194 0.000 1.027 326 Y CB 1.482 40.109 38.460 0.280 0.000 1.306 326 Y HN 0.125 nan 8.280 nan 0.000 0.446 327 T N 3.916 118.153 114.554 -0.528 0.000 2.906 327 T HA 0.873 5.223 4.350 0.000 0.000 0.295 327 T C -1.526 172.714 174.700 -0.767 0.000 1.075 327 T CA -0.827 60.941 62.100 -0.554 0.000 1.005 327 T CB 1.877 70.418 68.868 -0.545 0.000 1.136 327 T HN 0.616 nan 8.240 nan 0.000 0.498 328 L N 0.935 121.847 121.223 -0.519 0.000 2.393 328 L HA 0.512 4.852 4.340 0.000 0.000 0.260 328 L C -0.680 175.993 176.870 -0.329 0.000 1.002 328 L CA -1.267 53.332 54.840 -0.402 0.000 0.818 328 L CB 2.211 44.113 42.059 -0.261 0.000 1.369 328 L HN 0.735 nan 8.230 nan 0.000 0.412 329 D N 0.815 121.060 120.400 -0.259 0.000 2.417 329 D HA -0.028 4.612 4.640 0.000 0.000 0.250 329 D C -0.231 176.086 176.300 0.028 0.000 1.166 329 D CA 0.542 54.468 54.000 -0.124 0.000 0.881 329 D CB 1.212 42.062 40.800 0.084 0.000 1.164 329 D HN 0.493 nan 8.370 nan 0.000 0.467 330 D N 1.855 122.280 120.400 0.041 0.000 2.440 330 D HA 0.068 4.708 4.640 0.000 0.000 0.216 330 D C -0.291 176.099 176.300 0.150 0.000 1.150 330 D CA -0.117 53.938 54.000 0.091 0.000 0.832 330 D CB 0.371 41.163 40.800 -0.013 0.000 0.992 330 D HN 0.246 nan 8.370 nan 0.000 0.502 331 T N 1.604 116.284 114.554 0.210 0.000 2.946 331 T HA 0.008 4.358 4.350 0.000 0.000 0.311 331 T C 0.555 175.334 174.700 0.132 0.000 1.063 331 T CA -0.041 62.178 62.100 0.198 0.000 1.139 331 T CB 0.775 69.764 68.868 0.201 0.000 0.994 331 T HN -0.063 nan 8.240 nan 0.000 0.547 332 K N 3.766 124.205 120.400 0.064 0.000 2.276 332 K HA 0.095 4.415 4.320 0.000 0.000 0.259 332 K C -1.450 175.029 176.600 -0.202 0.000 1.001 332 K CA -1.916 54.305 56.287 -0.110 0.000 0.927 332 K CB 0.165 32.644 32.500 -0.036 0.000 0.969 332 K HN 0.315 nan 8.250 nan 0.000 0.490 333 P HA -0.141 nan 4.420 nan 0.000 0.219 333 P C 0.355 177.579 177.300 -0.127 0.000 1.146 333 P CA 1.387 64.267 63.100 -0.367 0.000 0.808 333 P CB 0.317 31.722 31.700 -0.492 0.000 0.779 334 E N -1.219 118.929 120.200 -0.088 0.000 2.427 334 E HA 0.145 4.495 4.350 0.000 0.000 0.196 334 E C 1.575 178.164 176.600 -0.019 0.000 1.028 334 E CA 0.949 57.333 56.400 -0.027 0.000 0.864 334 E CB -0.802 28.904 29.700 0.010 0.000 0.813 334 E HN 0.296 nan 8.360 nan 0.000 0.514 335 G N 0.702 109.492 108.800 -0.017 0.000 2.176 335 G HA2 -0.283 3.677 3.960 0.000 0.000 0.232 335 G HA3 -0.283 3.677 3.960 0.000 0.000 0.232 335 G C 0.110 174.998 174.900 -0.020 0.000 0.986 335 G CA 0.254 45.341 45.100 -0.023 0.000 0.643 335 G HN 0.366 nan 8.290 nan 0.000 0.522 336 N N -0.655 118.051 118.700 0.011 0.000 2.530 336 N HA 0.529 5.269 4.740 0.000 0.000 0.283 336 N C 0.518 176.097 175.510 0.116 0.000 1.238 336 N CA -0.870 52.157 53.050 -0.039 0.000 0.971 336 N CB 0.009 38.392 38.487 -0.174 0.000 1.195 336 N HN 0.605 nan 8.380 nan 0.000 0.583 337 Y N -2.680 117.648 120.300 0.047 0.000 3.108 337 Y HA -0.174 4.376 4.550 0.000 0.000 0.208 337 Y C 0.605 176.637 175.900 0.220 0.000 1.245 337 Y CA 0.335 58.515 58.100 0.134 0.000 1.171 337 Y CB -2.307 36.194 38.460 0.069 0.000 1.331 337 Y HN 0.749 nan 8.280 nan 0.000 0.534 338 A N 0.371 123.345 122.820 0.258 0.000 2.565 338 A HA 0.601 4.921 4.320 0.000 0.000 0.237 338 A C 0.721 178.547 177.584 0.403 0.000 1.053 338 A CA 0.587 52.789 52.037 0.275 0.000 0.755 338 A CB 0.185 19.268 19.000 0.139 0.000 0.980 338 A HN 1.509 nan 8.150 nan 0.000 0.506 339 A N 2.210 125.276 122.820 0.411 0.000 2.605 339 A HA 0.614 4.934 4.320 0.000 0.000 0.294 339 A C -1.076 176.522 177.584 0.023 0.000 1.062 339 A CA -0.529 51.570 52.037 0.105 0.000 0.682 339 A CB 0.923 19.641 19.000 -0.469 0.000 1.278 339 A HN 0.705 nan 8.150 nan 0.000 0.410 340 I N 2.458 122.933 120.570 -0.159 0.000 2.406 340 I HA 0.377 4.547 4.170 0.000 0.000 0.290 340 I C -0.176 175.786 176.117 -0.257 0.000 0.999 340 I CA -0.414 60.653 61.300 -0.389 0.000 1.124 340 I CB 1.654 39.273 38.000 -0.634 0.000 1.289 340 I HN 0.761 nan 8.210 nan 0.000 0.441 341 M N 5.749 125.193 119.600 -0.259 0.000 2.188 341 M HA 0.594 5.074 4.480 0.000 0.000 0.357 341 M C -0.321 175.829 176.300 -0.250 0.000 1.204 341 M CA -0.142 55.036 55.300 -0.202 0.000 1.095 341 M CB 1.066 33.570 32.600 -0.160 0.000 1.604 341 M HN 0.704 nan 8.290 nan 0.000 0.464 342 G N 4.399 113.112 108.800 -0.144 0.000 2.563 342 G HA2 0.700 4.660 3.960 0.000 0.000 0.302 342 G HA3 0.700 4.660 3.960 0.000 0.000 0.302 342 G C -1.938 172.915 174.900 -0.078 0.000 1.301 342 G CA -0.548 44.507 45.100 -0.076 0.000 0.965 342 G HN 0.658 nan 8.290 nan 0.000 0.480 343 F N 0.370 120.469 119.950 0.248 0.000 2.436 343 F HA 0.504 5.031 4.527 0.000 0.000 0.340 343 F C 0.485 176.398 175.800 0.188 0.000 1.113 343 F CA -0.738 57.407 58.000 0.242 0.000 1.022 343 F CB 2.257 41.428 39.000 0.284 0.000 1.128 343 F HN 0.053 nan 8.300 nan 0.000 0.466 344 I N 5.179 125.964 120.570 0.357 0.000 2.307 344 I HA 0.278 4.448 4.170 0.000 0.000 0.289 344 I C -0.727 175.478 176.117 0.148 0.000 1.021 344 I CA -0.307 61.114 61.300 0.200 0.000 1.224 344 I CB 0.821 38.907 38.000 0.142 0.000 1.376 344 I HN 0.376 nan 8.210 nan 0.000 0.470 345 L N 6.486 127.756 121.223 0.077 0.000 2.317 345 L HA 0.706 5.046 4.340 0.000 0.000 0.281 345 L C 0.945 177.776 176.870 -0.065 0.000 1.024 345 L CA -0.164 54.679 54.840 0.005 0.000 0.810 345 L CB 1.548 43.617 42.059 0.018 0.000 1.240 345 L HN 0.917 nan 8.230 nan 0.000 0.427 346 A N 2.179 124.954 122.820 -0.075 0.000 5.295 346 A HA -0.362 3.958 4.320 0.000 0.000 0.313 346 A C 1.662 179.235 177.584 -0.018 0.000 1.912 346 A CA 1.455 53.456 52.037 -0.061 0.000 0.714 346 A CB -1.577 17.384 19.000 -0.065 0.000 1.319 346 A HN 1.076 nan 8.150 nan 0.000 0.375 347 H N 0.997 120.054 119.070 -0.023 0.000 2.457 347 H HA -0.035 4.521 4.556 0.000 0.000 0.297 347 H C 1.651 176.993 175.328 0.024 0.000 1.092 347 H CA 1.838 57.891 56.048 0.008 0.000 1.309 347 H CB -0.385 29.390 29.762 0.022 0.000 1.382 347 H HN 0.737 nan 8.280 nan 0.000 0.535 348 K N 0.717 120.778 120.400 -0.565 0.000 2.211 348 K HA 0.063 4.383 4.320 0.000 0.000 0.203 348 K C 2.575 179.115 176.600 -0.101 0.000 1.050 348 K CA 0.872 56.949 56.287 -0.349 0.000 0.945 348 K CB 0.047 32.355 32.500 -0.319 0.000 0.732 348 K HN 0.329 nan 8.250 nan 0.000 0.451 349 A N 1.523 124.312 122.820 -0.051 0.000 1.902 349 A HA -0.168 4.152 4.320 0.000 0.000 0.217 349 A C 2.081 179.680 177.584 0.024 0.000 1.181 349 A CA 1.366 53.414 52.037 0.018 0.000 0.623 349 A CB -0.293 18.732 19.000 0.041 0.000 0.818 349 A HN 0.117 nan 8.150 nan 0.000 0.443 350 R N -0.277 120.237 120.500 0.024 0.000 2.066 350 R HA -0.063 4.277 4.340 0.000 0.000 0.232 350 R C 2.328 178.651 176.300 0.037 0.000 1.131 350 R CA 1.791 57.915 56.100 0.039 0.000 0.955 350 R CB -0.296 30.039 30.300 0.058 0.000 0.851 350 R HN 0.623 nan 8.270 nan 0.000 0.432 351 K N 0.457 120.878 120.400 0.036 0.000 2.025 351 K HA -0.066 4.254 4.320 0.000 0.000 0.207 351 K C 1.523 178.139 176.600 0.026 0.000 1.049 351 K CA 1.238 57.549 56.287 0.040 0.000 0.933 351 K CB 0.039 32.571 32.500 0.054 0.000 0.714 351 K HN 0.154 nan 8.250 nan 0.000 0.438 352 L N 0.285 121.518 121.223 0.016 0.000 2.558 352 L HA 0.110 4.450 4.340 0.000 0.000 0.225 352 L C 2.197 179.084 176.870 0.029 0.000 1.128 352 L CA 0.183 55.035 54.840 0.020 0.000 0.868 352 L CB -0.056 42.013 42.059 0.017 0.000 1.006 352 L HN 0.202 nan 8.230 nan 0.000 0.454 353 A N 0.656 123.494 122.820 0.030 0.000 2.019 353 A HA -0.168 4.152 4.320 0.000 0.000 0.219 353 A C 2.340 179.939 177.584 0.024 0.000 1.164 353 A CA 1.085 53.140 52.037 0.031 0.000 0.644 353 A CB -0.334 18.683 19.000 0.028 0.000 0.805 353 A HN 0.364 nan 8.150 nan 0.000 0.449 354 R N -0.508 120.005 120.500 0.021 0.000 2.152 354 R HA 0.019 4.359 4.340 0.000 0.000 0.232 354 R C 0.276 176.586 176.300 0.016 0.000 1.117 354 R CA 0.382 56.492 56.100 0.017 0.000 0.981 354 R CB -0.590 29.720 30.300 0.017 0.000 0.870 354 R HN 0.442 nan 8.270 nan 0.000 0.451 355 L N 0.905 122.139 121.223 0.018 0.000 2.475 355 L HA 0.089 4.429 4.340 0.000 0.000 0.253 355 L C 1.062 177.945 176.870 0.022 0.000 1.198 355 L CA -0.425 54.424 54.840 0.016 0.000 0.814 355 L CB 0.372 42.439 42.059 0.013 0.000 1.134 355 L HN 0.136 nan 8.230 nan 0.000 0.478 356 T N -2.749 111.816 114.554 0.019 0.000 2.849 356 T HA 0.120 4.470 4.350 0.000 0.000 0.284 356 T C 0.879 175.606 174.700 0.045 0.000 1.004 356 T CA -0.684 61.432 62.100 0.026 0.000 1.021 356 T CB 1.324 70.203 68.868 0.018 0.000 1.013 356 T HN 0.678 nan 8.240 nan 0.000 0.527 357 K N 0.439 120.882 120.400 0.071 0.000 2.044 357 K HA -0.224 4.096 4.320 0.000 0.000 0.210 357 K C 1.901 178.558 176.600 0.095 0.000 1.049 357 K CA 2.015 58.389 56.287 0.145 0.000 0.927 357 K CB -0.227 32.365 32.500 0.153 0.000 0.713 357 K HN 0.702 nan 8.250 nan 0.000 0.443 358 E N 0.739 120.960 120.200 0.036 0.000 2.110 358 E HA -0.157 4.193 4.350 0.000 0.000 0.193 358 E C 1.814 178.375 176.600 -0.066 0.000 0.988 358 E CA 1.441 57.826 56.400 -0.026 0.000 0.804 358 E CB 0.000 29.695 29.700 -0.009 0.000 0.745 358 E HN 0.426 nan 8.360 nan 0.000 0.458 359 E N 0.257 120.436 120.200 -0.035 0.000 2.072 359 E HA -0.124 4.226 4.350 0.000 0.000 0.191 359 E C 2.141 178.699 176.600 -0.069 0.000 0.985 359 E CA 0.727 57.102 56.400 -0.043 0.000 0.801 359 E CB -0.032 29.658 29.700 -0.018 0.000 0.750 359 E HN 0.135 nan 8.360 nan 0.000 0.452 360 R N 0.307 120.774 120.500 -0.054 0.000 2.075 360 R HA -0.134 4.206 4.340 0.000 0.000 0.232 360 R C 2.473 178.631 176.300 -0.237 0.000 1.126 360 R CA 0.799 56.855 56.100 -0.072 0.000 0.963 360 R CB -0.368 29.961 30.300 0.049 0.000 0.858 360 R HN 0.117 nan 8.270 nan 0.000 0.435 361 L N 1.865 122.831 121.223 -0.428 0.000 2.013 361 L HA -0.239 4.101 4.340 0.000 0.000 0.212 361 L C 2.229 178.884 176.870 -0.358 0.000 1.073 361 L CA 1.918 56.346 54.840 -0.687 0.000 0.753 361 L CB -0.486 41.122 42.059 -0.752 0.000 0.890 361 L HN 0.025 nan 8.230 nan 0.000 0.432 362 K N -0.522 119.745 120.400 -0.222 0.000 2.032 362 K HA -0.230 4.090 4.320 0.000 0.000 0.209 362 K C 2.170 178.682 176.600 -0.147 0.000 1.048 362 K CA 1.807 58.008 56.287 -0.143 0.000 0.927 362 K CB -0.110 32.336 32.500 -0.091 0.000 0.712 362 K HN 0.349 nan 8.250 nan 0.000 0.441 363 K N 0.206 120.517 120.400 -0.149 0.000 2.057 363 K HA -0.154 4.166 4.320 0.000 0.000 0.207 363 K C 2.144 178.607 176.600 -0.228 0.000 1.049 363 K CA 1.257 57.459 56.287 -0.141 0.000 0.931 363 K CB -0.135 32.305 32.500 -0.101 0.000 0.714 363 K HN 0.055 nan 8.250 nan 0.000 0.440 364 L N 0.844 121.875 121.223 -0.319 0.000 2.027 364 L HA -0.203 4.137 4.340 0.000 0.000 0.206 364 L C 2.488 178.915 176.870 -0.738 0.000 1.074 364 L CA 1.524 55.999 54.840 -0.608 0.000 0.745 364 L CB -0.698 41.046 42.059 -0.525 0.000 0.898 364 L HN 0.239 nan 8.230 nan 0.000 0.433 365 C N -0.637 118.456 119.300 -0.345 0.000 2.429 365 C HA -0.158 4.302 4.460 0.000 0.000 0.277 365 C C 2.647 177.605 174.990 -0.053 0.000 1.262 365 C CA 0.634 59.602 59.018 -0.083 0.000 1.733 365 C CB -0.796 26.952 27.740 0.013 0.000 2.010 365 C HN 0.552 nan 8.230 nan 0.000 0.483 366 E N 0.324 120.465 120.200 -0.098 0.000 2.110 366 E HA -0.217 4.133 4.350 0.000 0.000 0.193 366 E C 1.997 178.562 176.600 -0.059 0.000 0.988 366 E CA 0.967 57.335 56.400 -0.053 0.000 0.804 366 E CB -0.297 29.373 29.700 -0.051 0.000 0.745 366 E HN 0.529 nan 8.360 nan 0.000 0.458 367 L N 0.450 121.589 121.223 -0.140 0.000 1.994 367 L HA -0.212 4.128 4.340 0.000 0.000 0.208 367 L C 2.059 178.934 176.870 0.009 0.000 1.071 367 L CA 1.755 56.528 54.840 -0.112 0.000 0.745 367 L CB -0.611 41.342 42.059 -0.177 0.000 0.892 367 L HN 0.189 nan 8.230 nan 0.000 0.431 368 Y N -0.770 119.518 120.300 -0.020 0.000 2.224 368 Y HA -0.215 4.335 4.550 -0.000 0.000 0.289 368 Y C 2.526 178.437 175.900 0.018 0.000 1.146 368 Y CA 0.250 58.341 58.100 -0.015 0.000 1.182 368 Y CB -0.511 37.978 38.460 0.049 0.000 0.983 368 Y HN 0.392 nan 8.280 nan 0.000 0.524 369 A N 0.557 123.487 122.820 0.184 0.000 1.902 369 A HA -0.244 4.076 4.320 0.000 0.000 0.217 369 A C 2.113 179.744 177.584 0.078 0.000 1.181 369 A CA 1.944 54.052 52.037 0.119 0.000 0.623 369 A CB -0.568 18.474 19.000 0.069 0.000 0.818 369 A HN 0.378 nan 8.150 nan 0.000 0.443 370 K N -0.615 119.807 120.400 0.036 0.000 2.002 370 K HA -0.082 4.238 4.320 0.000 0.000 0.209 370 K C 1.848 178.432 176.600 -0.027 0.000 1.048 370 K CA 1.667 57.959 56.287 0.009 0.000 0.930 370 K CB -0.237 32.246 32.500 -0.027 0.000 0.714 370 K HN 0.248 nan 8.250 nan 0.000 0.438 371 V N 1.211 121.048 119.914 -0.129 0.000 2.379 371 V HA -0.181 3.939 4.120 0.000 0.000 0.245 371 V C 2.057 178.102 176.094 -0.082 0.000 1.044 371 V CA 1.439 63.611 62.300 -0.214 0.000 1.036 371 V CB -0.297 31.358 31.823 -0.279 0.000 0.664 371 V HN 0.300 nan 8.190 nan 0.000 0.453 372 L N 0.573 121.790 121.223 -0.010 0.000 2.552 372 L HA 0.236 4.576 4.340 0.000 0.000 0.227 372 L C 1.618 178.629 176.870 0.236 0.000 1.146 372 L CA 0.772 55.657 54.840 0.075 0.000 0.858 372 L CB -0.801 41.389 42.059 0.218 0.000 0.969 372 L HN 0.565 nan 8.230 nan 0.000 0.451 373 G N 0.790 109.684 108.800 0.157 0.000 2.338 373 G HA2 -0.253 3.707 3.960 0.000 0.000 0.296 373 G HA3 -0.253 3.707 3.960 0.000 0.000 0.296 373 G C -0.096 174.897 174.900 0.155 0.000 1.040 373 G CA 0.454 45.647 45.100 0.155 0.000 1.004 373 G HN 0.340 nan 8.290 nan 0.000 0.509 374 S N -0.907 114.873 115.700 0.133 0.000 2.614 374 S HA 0.444 4.914 4.470 0.000 0.000 0.275 374 S C 1.068 175.639 174.600 -0.048 0.000 1.161 374 S CA -0.787 57.449 58.200 0.060 0.000 0.969 374 S CB 1.712 65.008 63.200 0.162 0.000 1.059 374 S HN 0.248 nan 8.310 nan 0.000 0.482 375 L N 1.897 123.066 121.223 -0.090 0.000 2.362 375 L HA -0.058 4.282 4.340 0.000 0.000 0.219 375 L C 2.042 178.793 176.870 -0.198 0.000 1.134 375 L CA 1.083 55.863 54.840 -0.099 0.000 0.807 375 L CB -0.377 41.641 42.059 -0.069 0.000 0.927 375 L HN 0.706 nan 8.230 nan 0.000 0.447 376 E N 0.689 120.627 120.200 -0.438 0.000 2.204 376 E HA -0.194 4.156 4.350 0.000 0.000 0.195 376 E C 2.264 178.472 176.600 -0.655 0.000 0.990 376 E CA 1.032 56.989 56.400 -0.739 0.000 0.821 376 E CB -0.143 28.688 29.700 -1.448 0.000 0.750 376 E HN 0.505 nan 8.360 nan 0.000 0.477 377 A N 0.841 123.393 122.820 -0.447 0.000 2.125 377 A HA -0.095 4.225 4.320 0.000 0.000 0.219 377 A C 1.918 179.680 177.584 0.297 0.000 1.156 377 A CA 0.772 52.852 52.037 0.072 0.000 0.671 377 A CB -0.343 18.830 19.000 0.287 0.000 0.794 377 A HN 0.169 nan 8.150 nan 0.000 0.459 378 L N -1.294 120.002 121.223 0.121 0.000 2.591 378 L HA 0.120 4.460 4.340 0.000 0.000 0.228 378 L C 0.452 177.403 176.870 0.136 0.000 1.133 378 L CA 0.281 55.189 54.840 0.114 0.000 0.880 378 L CB 0.019 42.101 42.059 0.039 0.000 1.033 378 L HN 0.212 nan 8.230 nan 0.000 0.450 379 E N 0.791 121.121 120.200 0.217 0.000 3.588 379 E HA 0.184 4.534 4.350 0.000 0.000 0.213 379 E C -2.249 174.529 176.600 0.297 0.000 1.168 379 E CA -1.757 54.759 56.400 0.193 0.000 1.254 379 E CB 0.611 30.380 29.700 0.115 0.000 1.302 379 E HN 0.059 nan 8.360 nan 0.000 0.429 380 P HA -0.037 nan 4.420 nan 0.000 0.272 380 P C 0.775 178.116 177.300 0.068 0.000 1.223 380 P CA -0.034 63.052 63.100 -0.023 0.000 0.784 380 P CB 1.622 33.254 31.700 -0.114 0.000 0.923 381 V N -1.842 118.128 119.914 0.093 0.000 3.565 381 V HA 0.304 4.424 4.120 0.000 0.000 0.260 381 V C 0.505 176.730 176.094 0.219 0.000 1.231 381 V CA 0.805 63.195 62.300 0.150 0.000 1.100 381 V CB -1.176 30.741 31.823 0.156 0.000 0.807 381 V HN 0.687 nan 8.190 nan 0.000 0.454 382 H N -1.220 117.923 119.070 0.121 0.000 2.987 382 H HA 0.619 5.175 4.556 0.000 0.000 0.316 382 H C -2.302 173.235 175.328 0.349 0.000 1.380 382 H CA -0.679 55.454 56.048 0.142 0.000 1.160 382 H CB 1.917 31.654 29.762 -0.040 0.000 1.865 382 H HN 0.144 nan 8.280 nan 0.000 0.521 383 Y N 1.485 121.513 120.300 -0.454 0.000 2.479 383 Y HA 0.514 5.064 4.550 -0.000 0.000 0.338 383 Y C -1.706 174.080 175.900 -0.189 0.000 1.055 383 Y CA -0.662 57.362 58.100 -0.125 0.000 1.023 383 Y CB 1.777 40.174 38.460 -0.105 0.000 1.287 383 Y HN 0.635 nan 8.280 nan 0.000 0.447 384 E N 4.269 124.226 120.200 -0.405 0.000 2.317 384 E HA 0.431 4.781 4.350 0.000 0.000 0.270 384 E C -1.466 174.777 176.600 -0.595 0.000 0.885 384 E CA -0.777 55.399 56.400 -0.374 0.000 0.760 384 E CB 2.763 32.480 29.700 0.029 0.000 1.227 384 E HN 0.774 nan 8.360 nan 0.000 0.434 385 E N 0.353 120.310 120.200 -0.404 0.000 2.430 385 E HA 0.660 5.010 4.350 0.000 0.000 0.279 385 E C -1.225 175.333 176.600 -0.071 0.000 1.003 385 E CA -1.065 55.197 56.400 -0.229 0.000 0.801 385 E CB 2.563 32.102 29.700 -0.269 0.000 1.313 385 E HN 0.181 nan 8.360 nan 0.000 0.459 386 K N 1.294 121.702 120.400 0.014 0.000 2.581 386 K HA 0.267 4.587 4.320 0.000 0.000 0.249 386 K C -1.616 174.951 176.600 -0.054 0.000 0.966 386 K CA -0.715 55.518 56.287 -0.091 0.000 0.811 386 K CB 1.474 33.887 32.500 -0.145 0.000 1.223 386 K HN 0.514 nan 8.250 nan 0.000 0.438 387 N N 4.213 122.841 118.700 -0.120 0.000 2.469 387 N HA 0.101 4.841 4.740 0.000 0.000 0.239 387 N C -0.244 175.211 175.510 -0.091 0.000 1.053 387 N CA -0.385 52.657 53.050 -0.013 0.000 0.937 387 N CB 0.320 38.809 38.487 0.002 0.000 1.163 387 N HN 0.660 nan 8.380 nan 0.000 0.509 388 W N 2.169 123.509 121.300 0.067 0.000 2.699 388 W HA 0.037 4.697 4.660 -0.000 0.000 0.249 388 W C 1.940 178.475 176.519 0.028 0.000 1.280 388 W CA -0.087 57.291 57.345 0.055 0.000 1.345 388 W CB -0.133 29.376 29.460 0.082 0.000 1.128 388 W HN 0.585 nan 8.180 nan 0.000 0.642 389 C N 0.421 119.825 119.300 0.172 0.000 2.432 389 C HA -0.153 4.307 4.460 0.000 0.000 0.282 389 C C 2.314 177.330 174.990 0.043 0.000 1.388 389 C CA 1.380 60.458 59.018 0.099 0.000 1.777 389 C CB -1.465 26.316 27.740 0.069 0.000 1.882 389 C HN 0.493 nan 8.230 nan 0.000 0.520 390 E N 0.766 120.969 120.200 0.004 0.000 2.489 390 E HA 0.006 4.356 4.350 0.000 0.000 0.193 390 E C -0.082 176.486 176.600 -0.052 0.000 1.057 390 E CA 0.340 56.718 56.400 -0.037 0.000 0.866 390 E CB -0.166 29.496 29.700 -0.064 0.000 0.916 390 E HN 0.504 nan 8.360 nan 0.000 0.500 391 E N 2.189 122.378 120.200 -0.019 0.000 2.129 391 E HA -0.014 4.336 4.350 0.000 0.000 0.283 391 E C 0.461 177.041 176.600 -0.034 0.000 1.080 391 E CA 0.002 56.395 56.400 -0.011 0.000 0.867 391 E CB 1.512 31.265 29.700 0.088 0.000 1.056 391 E HN 0.349 nan 8.360 nan 0.000 0.404 392 Q N 2.946 122.661 119.800 -0.142 0.000 2.135 392 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 392 Q C 0.370 176.125 176.000 -0.408 0.000 0.981 392 Q CA 1.620 57.217 55.803 -0.343 0.000 0.856 392 Q CB 0.096 28.487 28.738 -0.579 0.000 0.902 392 Q HN 0.597 nan 8.270 nan 0.000 0.425 393 Y N -0.967 119.358 120.300 0.042 0.000 2.524 393 Y HA 0.248 4.798 4.550 -0.000 0.000 0.266 393 Y C 1.503 177.460 175.900 0.095 0.000 1.180 393 Y CA -0.252 57.882 58.100 0.057 0.000 1.244 393 Y CB 0.893 39.379 38.460 0.044 0.000 1.125 393 Y HN 0.080 nan 8.280 nan 0.000 0.524 394 S N -1.639 114.183 115.700 0.204 0.000 2.807 394 S HA 0.290 4.760 4.470 0.000 0.000 0.247 394 S C 1.855 176.532 174.600 0.129 0.000 1.078 394 S CA 0.542 58.866 58.200 0.207 0.000 0.867 394 S CB 0.627 64.027 63.200 0.333 0.000 0.797 394 S HN 0.529 nan 8.310 nan 0.000 0.515 395 G N 1.034 109.892 108.800 0.096 0.000 2.217 395 G HA2 0.091 4.051 3.960 0.000 0.000 0.246 395 G HA3 0.091 4.051 3.960 0.000 0.000 0.246 395 G C 0.485 175.425 174.900 0.066 0.000 0.990 395 G CA 0.055 45.182 45.100 0.044 0.000 0.627 395 G HN 1.373 nan 8.290 nan 0.000 0.522 396 G N -2.315 106.565 108.800 0.134 0.000 2.352 396 G HA2 0.517 4.477 3.960 0.000 0.000 0.283 396 G HA3 0.517 4.477 3.960 0.000 0.000 0.283 396 G C -0.993 173.988 174.900 0.135 0.000 1.308 396 G CA 0.328 45.516 45.100 0.147 0.000 0.892 396 G HN 1.480 nan 8.290 nan 0.000 0.504 397 C N -1.654 117.675 119.300 0.047 0.000 3.311 397 C HA 0.596 5.056 4.460 0.000 0.000 0.325 397 C C 0.769 175.608 174.990 -0.251 0.000 1.352 397 C CA -0.636 58.334 59.018 -0.079 0.000 1.308 397 C CB 0.770 28.361 27.740 -0.248 0.000 1.619 397 C HN 0.726 nan 8.230 nan 0.000 0.469 398 Y N 0.591 120.822 120.300 -0.115 0.000 2.337 398 Y HA 0.221 4.771 4.550 0.000 0.000 0.293 398 Y C 1.581 177.446 175.900 -0.058 0.000 1.123 398 Y CA 1.141 59.146 58.100 -0.159 0.000 1.201 398 Y CB -0.408 37.935 38.460 -0.195 0.000 1.011 398 Y HN 0.679 nan 8.280 nan 0.000 0.545 399 T N -1.908 112.726 114.554 0.133 0.000 2.671 399 T HA 0.344 4.694 4.350 0.000 0.000 0.300 399 T C -0.815 173.983 174.700 0.163 0.000 1.238 399 T CA -0.705 61.514 62.100 0.198 0.000 1.020 399 T CB 1.093 70.175 68.868 0.356 0.000 1.503 399 T HN -0.157 nan 8.240 nan 0.000 0.497 400 T N 2.593 117.258 114.554 0.185 0.000 2.832 400 T HA 0.489 4.839 4.350 0.000 0.000 0.296 400 T C -0.831 173.875 174.700 0.010 0.000 0.968 400 T CA 0.030 62.139 62.100 0.015 0.000 1.107 400 T CB -0.356 68.516 68.868 0.007 0.000 0.916 400 T HN 0.462 nan 8.240 nan 0.000 0.517 401 Y N 0.954 121.030 120.300 -0.373 0.000 2.528 401 Y HA 0.796 5.346 4.550 -0.000 0.000 0.335 401 Y C -1.271 174.062 175.900 -0.946 0.000 1.093 401 Y CA -2.227 55.301 58.100 -0.954 0.000 1.134 401 Y CB 0.777 38.823 38.460 -0.690 0.000 1.253 401 Y HN 0.400 nan 8.280 nan 0.000 0.478 402 F N 3.235 122.418 119.950 -1.279 0.000 2.402 402 F HA 0.566 5.093 4.527 -0.000 0.000 0.355 402 F C -2.311 173.394 175.800 -0.157 0.000 1.123 402 F CA -2.741 54.888 58.000 -0.618 0.000 1.021 402 F CB 1.496 40.182 39.000 -0.524 0.000 1.160 402 F HN 0.361 nan 8.300 nan 0.000 0.451 403 P HA 0.113 nan 4.420 nan 0.000 0.273 403 P C -2.550 174.853 177.300 0.172 0.000 1.250 403 P CA -1.157 62.031 63.100 0.145 0.000 0.793 403 P CB -0.151 31.584 31.700 0.060 0.000 1.011 404 P HA -0.023 nan 4.420 nan 0.000 0.265 404 P C 0.872 178.265 177.300 0.155 0.000 1.193 404 P CA 1.208 64.412 63.100 0.172 0.000 0.765 404 P CB -0.047 31.736 31.700 0.138 0.000 0.823 405 G N 2.853 111.758 108.800 0.175 0.000 2.217 405 G HA2 -0.259 3.701 3.960 0.000 0.000 0.246 405 G HA3 -0.259 3.701 3.960 0.000 0.000 0.246 405 G C 0.797 175.812 174.900 0.192 0.000 0.990 405 G CA 0.073 45.265 45.100 0.154 0.000 0.627 405 G HN 0.428 nan 8.290 nan 0.000 0.522 406 I N 0.202 120.918 120.570 0.243 0.000 2.400 406 I HA 0.155 4.325 4.170 0.000 0.000 0.248 406 I C 2.632 178.993 176.117 0.406 0.000 1.109 406 I CA 1.277 62.778 61.300 0.335 0.000 1.425 406 I CB -1.196 36.928 38.000 0.208 0.000 1.094 406 I HN 0.273 nan 8.210 nan 0.000 0.425 407 L N 1.144 122.588 121.223 0.368 0.000 2.046 407 L HA -0.208 4.132 4.340 0.000 0.000 0.208 407 L C 2.660 179.607 176.870 0.129 0.000 1.077 407 L CA 2.502 57.434 54.840 0.152 0.000 0.747 407 L CB -0.949 41.106 42.059 -0.006 0.000 0.896 407 L HN 0.434 nan 8.230 nan 0.000 0.432 408 T N -4.177 110.463 114.554 0.142 0.000 2.777 408 T HA -0.160 4.190 4.350 0.000 0.000 0.266 408 T C 1.816 176.480 174.700 -0.060 0.000 1.040 408 T CA 1.010 63.165 62.100 0.092 0.000 1.141 408 T CB -0.369 68.557 68.868 0.098 0.000 0.868 408 T HN 0.352 nan 8.240 nan 0.000 0.444 409 Q N -0.035 119.724 119.800 -0.068 0.000 2.187 409 Q HA 0.092 4.432 4.340 0.000 0.000 0.199 409 Q C 1.177 176.846 176.000 -0.552 0.000 0.957 409 Q CA 1.216 56.830 55.803 -0.315 0.000 0.857 409 Q CB -0.026 28.514 28.738 -0.329 0.000 0.929 409 Q HN 0.782 nan 8.270 nan 0.000 0.453 410 Y N -1.804 118.433 120.300 -0.105 0.000 2.471 410 Y HA 0.266 4.816 4.550 0.000 0.000 0.249 410 Y C 2.018 177.800 175.900 -0.198 0.000 1.116 410 Y CA 0.077 58.097 58.100 -0.134 0.000 1.240 410 Y CB 0.230 38.652 38.460 -0.063 0.000 1.251 410 Y HN 0.080 nan 8.280 nan 0.000 0.527 411 G N 1.677 110.392 108.800 -0.141 0.000 2.442 411 G HA2 -0.273 3.687 3.960 0.000 0.000 0.219 411 G HA3 -0.273 3.687 3.960 0.000 0.000 0.219 411 G C 1.767 176.222 174.900 -0.741 0.000 1.141 411 G CA 1.136 46.061 45.100 -0.291 0.000 0.763 411 G HN 0.395 nan 8.290 nan 0.000 0.554 412 R N 0.736 120.510 120.500 -1.210 0.000 2.189 412 R HA -0.005 4.335 4.340 0.000 0.000 0.223 412 R C 2.083 178.140 176.300 -0.404 0.000 1.092 412 R CA 1.613 57.053 56.100 -1.100 0.000 0.989 412 R CB -0.770 28.909 30.300 -1.035 0.000 0.876 412 R HN 0.532 nan 8.270 nan 0.000 0.457 413 V N -1.986 117.755 119.914 -0.289 0.000 3.649 413 V HA 0.098 4.218 4.120 0.000 0.000 0.275 413 V C 2.090 178.083 176.094 -0.169 0.000 1.281 413 V CA 0.216 62.411 62.300 -0.176 0.000 1.143 413 V CB -0.353 31.380 31.823 -0.149 0.000 0.892 413 V HN 0.146 nan 8.190 nan 0.000 0.441 414 L N 1.564 122.722 121.223 -0.108 0.000 2.013 414 L HA -0.150 4.190 4.340 0.000 0.000 0.212 414 L C 2.775 179.595 176.870 -0.084 0.000 1.073 414 L CA 2.629 57.427 54.840 -0.069 0.000 0.753 414 L CB -0.082 42.035 42.059 0.098 0.000 0.890 414 L HN 0.551 nan 8.230 nan 0.000 0.432 415 R N -0.670 119.874 120.500 0.073 0.000 2.546 415 R HA 0.134 4.474 4.340 0.000 0.000 0.320 415 R C 0.485 176.935 176.300 0.250 0.000 1.021 415 R CA -0.249 55.984 56.100 0.220 0.000 1.088 415 R CB -0.056 30.436 30.300 0.320 0.000 1.278 415 R HN 0.222 nan 8.270 nan 0.000 0.557 416 Q N 2.651 122.519 119.800 0.113 0.000 2.286 416 Q HA 0.214 4.554 4.340 0.000 0.000 0.267 416 Q C -2.114 173.998 176.000 0.186 0.000 1.028 416 Q CA -2.102 53.767 55.803 0.109 0.000 0.901 416 Q CB 0.886 29.630 28.738 0.011 0.000 1.183 416 Q HN 0.039 nan 8.270 nan 0.000 0.392 417 P HA -0.045 nan 4.420 nan 0.000 0.267 417 P C -1.259 176.031 177.300 -0.016 0.000 1.200 417 P CA -0.079 62.952 63.100 -0.114 0.000 0.772 417 P CB 0.666 32.021 31.700 -0.575 0.000 0.855 418 V N 3.218 123.132 119.914 -0.000 0.000 2.257 418 V HA 0.154 4.274 4.120 0.000 0.000 0.269 418 V C 0.674 176.731 176.094 -0.061 0.000 1.040 418 V CA 0.109 62.411 62.300 0.005 0.000 0.813 418 V CB 0.008 31.874 31.823 0.072 0.000 1.065 418 V HN 0.780 nan 8.190 nan 0.000 0.457 419 D N 4.070 124.436 120.400 -0.056 0.000 4.372 419 D HA -0.305 4.335 4.640 0.000 0.000 0.169 419 D C 1.334 177.622 176.300 -0.019 0.000 0.680 419 D CA 2.410 56.397 54.000 -0.022 0.000 1.152 419 D CB -0.281 40.519 40.800 0.000 0.000 0.585 419 D HN 0.562 nan 8.370 nan 0.000 0.493 420 R N -0.117 120.399 120.500 0.027 0.000 2.468 420 R HA 0.454 4.794 4.340 0.000 0.000 0.280 420 R C -0.205 176.202 176.300 0.179 0.000 0.963 420 R CA -0.146 56.069 56.100 0.193 0.000 1.083 420 R CB 0.439 30.791 30.300 0.088 0.000 1.200 420 R HN 0.289 nan 8.270 nan 0.000 0.541 421 I N 1.210 121.730 120.570 -0.083 0.000 2.315 421 I HA 0.229 4.399 4.170 0.000 0.000 0.291 421 I C -0.582 175.187 176.117 -0.580 0.000 1.006 421 I CA -0.686 60.483 61.300 -0.218 0.000 1.265 421 I CB 0.686 38.535 38.000 -0.252 0.000 1.387 421 I HN -0.082 nan 8.210 nan 0.000 0.475 422 Y N 5.261 125.314 120.300 -0.412 0.000 2.528 422 Y HA 0.542 5.092 4.550 0.000 0.000 0.335 422 Y C -0.531 175.010 175.900 -0.597 0.000 1.093 422 Y CA -0.743 57.139 58.100 -0.364 0.000 1.134 422 Y CB 1.515 39.890 38.460 -0.142 0.000 1.253 422 Y HN 0.282 nan 8.280 nan 0.000 0.478 423 F N 1.238 121.295 119.950 0.179 0.000 2.427 423 F HA 0.700 5.227 4.527 -0.000 0.000 0.348 423 F C 0.415 176.293 175.800 0.130 0.000 1.125 423 F CA -0.572 57.507 58.000 0.131 0.000 0.989 423 F CB 1.065 40.126 39.000 0.102 0.000 1.165 423 F HN 0.604 nan 8.300 nan 0.000 0.442 424 A N 2.351 125.314 122.820 0.238 0.000 3.538 424 A HA 0.947 5.267 4.320 0.000 0.000 0.174 424 A C 0.416 178.130 177.584 0.216 0.000 1.733 424 A CA -0.378 51.768 52.037 0.181 0.000 0.888 424 A CB -0.138 18.925 19.000 0.105 0.000 1.804 424 A HN 1.473 nan 8.150 nan 0.000 0.626 425 G N -2.505 106.401 108.800 0.176 0.000 2.777 425 G HA2 0.077 4.037 3.960 0.000 0.000 0.686 425 G HA3 0.077 4.037 3.960 0.000 0.000 0.686 425 G C 0.418 175.449 174.900 0.217 0.000 1.177 425 G CA 0.605 45.818 45.100 0.188 0.000 0.775 425 G HN 1.517 nan 8.290 nan 0.000 0.613 426 T N 0.348 115.031 114.554 0.216 0.000 2.803 426 T HA -0.107 4.243 4.350 0.000 0.000 0.269 426 T C 2.132 177.032 174.700 0.332 0.000 1.052 426 T CA 2.660 64.914 62.100 0.256 0.000 1.136 426 T CB -0.175 68.839 68.868 0.244 0.000 0.864 426 T HN 0.632 nan 8.240 nan 0.000 0.467 427 E N 0.526 120.929 120.200 0.338 0.000 2.267 427 E HA -0.074 4.276 4.350 0.000 0.000 0.197 427 E C 2.239 179.096 176.600 0.428 0.000 0.998 427 E CA 1.575 58.227 56.400 0.420 0.000 0.830 427 E CB -0.235 29.676 29.700 0.352 0.000 0.751 427 E HN 0.719 nan 8.360 nan 0.000 0.491 428 T N -2.622 112.148 114.554 0.359 0.000 3.086 428 T HA 0.446 4.796 4.350 0.000 0.000 0.250 428 T C 0.835 175.776 174.700 0.402 0.000 1.074 428 T CA 0.030 62.345 62.100 0.359 0.000 0.988 428 T CB 0.158 69.215 68.868 0.316 0.000 0.988 428 T HN 0.104 nan 8.240 nan 0.000 0.530 429 A N 1.787 124.846 122.820 0.398 0.000 2.386 429 A HA 0.519 4.839 4.320 0.000 0.000 0.246 429 A C 1.517 179.373 177.584 0.453 0.000 1.089 429 A CA 0.186 52.462 52.037 0.399 0.000 0.790 429 A CB 0.250 19.444 19.000 0.323 0.000 1.042 429 A HN 0.530 nan 8.150 nan 0.000 0.497 430 T N -2.530 112.269 114.554 0.408 0.000 3.044 430 T HA 0.246 4.596 4.350 0.000 0.000 0.260 430 T C 0.226 175.035 174.700 0.181 0.000 1.019 430 T CA 0.662 62.955 62.100 0.321 0.000 0.921 430 T CB -0.380 68.613 68.868 0.208 0.000 1.053 430 T HN 0.766 nan 8.240 nan 0.000 0.533 431 H N -1.074 118.026 119.070 0.050 0.000 2.934 431 H HA 0.275 4.831 4.556 0.000 0.000 0.340 431 H C -0.998 174.350 175.328 0.033 0.000 1.008 431 H CA -1.109 54.889 56.048 -0.083 0.000 1.317 431 H CB 0.934 30.707 29.762 0.018 0.000 1.670 431 H HN 0.294 nan 8.280 nan 0.000 0.516 432 W N 2.147 123.209 121.300 -0.397 0.000 5.121 432 W HA -0.252 4.408 4.660 0.000 0.000 0.372 432 W C 0.516 176.979 176.519 -0.094 0.000 1.394 432 W CA 0.965 58.037 57.345 -0.454 0.000 0.885 432 W CB -1.717 27.379 29.460 -0.607 0.000 2.520 432 W HN 0.408 nan 8.180 nan 0.000 1.455 433 S N 0.529 116.270 115.700 0.067 0.000 2.558 433 S HA 0.363 4.833 4.470 0.000 0.000 0.293 433 S C 1.417 176.227 174.600 0.351 0.000 1.292 433 S CA 1.798 60.150 58.200 0.253 0.000 1.063 433 S CB 0.729 64.147 63.200 0.363 0.000 0.831 433 S HN 1.434 nan 8.310 nan 0.000 0.499 434 G N 3.062 112.138 108.800 0.460 0.000 2.213 434 G HA2 -0.197 3.763 3.960 0.000 0.000 0.226 434 G HA3 -0.197 3.763 3.960 0.000 0.000 0.226 434 G C -0.214 174.797 174.900 0.186 0.000 0.992 434 G CA 0.233 45.604 45.100 0.452 0.000 0.632 434 G HN 0.689 nan 8.290 nan 0.000 0.511 435 Y N -0.459 119.957 120.300 0.194 0.000 2.621 435 Y HA 0.713 5.263 4.550 -0.000 0.000 0.334 435 Y C 1.970 177.913 175.900 0.072 0.000 1.074 435 Y CA -0.780 57.384 58.100 0.107 0.000 1.149 435 Y CB 0.841 39.352 38.460 0.084 0.000 1.302 435 Y HN -0.030 nan 8.280 nan 0.000 0.501 436 M N -0.143 119.570 119.600 0.188 0.000 2.149 436 M HA -0.210 4.270 4.480 0.000 0.000 0.261 436 M C 1.833 178.197 176.300 0.105 0.000 1.064 436 M CA 2.006 57.380 55.300 0.122 0.000 1.102 436 M CB -0.255 32.410 32.600 0.108 0.000 1.369 436 M HN 0.789 nan 8.290 nan 0.000 0.408 437 E N 0.760 120.999 120.200 0.064 0.000 2.038 437 E HA -0.155 4.195 4.350 0.000 0.000 0.195 437 E C 1.968 178.630 176.600 0.103 0.000 1.000 437 E CA 2.111 58.512 56.400 0.002 0.000 0.803 437 E CB -0.707 28.858 29.700 -0.224 0.000 0.750 437 E HN 0.426 nan 8.360 nan 0.000 0.448 438 G N 0.147 109.060 108.800 0.188 0.000 2.442 438 G HA2 -0.244 3.716 3.960 0.000 0.000 0.219 438 G HA3 -0.244 3.716 3.960 0.000 0.000 0.219 438 G C 1.723 176.739 174.900 0.193 0.000 1.141 438 G CA 1.270 46.504 45.100 0.223 0.000 0.763 438 G HN 0.488 nan 8.290 nan 0.000 0.554 439 A N 0.224 123.146 122.820 0.170 0.000 1.883 439 A HA -0.007 4.313 4.320 0.000 0.000 0.217 439 A C 2.633 180.279 177.584 0.103 0.000 1.186 439 A CA 2.098 54.216 52.037 0.136 0.000 0.624 439 A CB -0.744 18.325 19.000 0.113 0.000 0.822 439 A HN 0.288 nan 8.150 nan 0.000 0.444 440 V N 0.028 119.995 119.914 0.087 0.000 2.295 440 V HA -0.269 3.851 4.120 0.000 0.000 0.246 440 V C 2.541 178.674 176.094 0.065 0.000 1.049 440 V CA 2.239 64.576 62.300 0.061 0.000 1.024 440 V CB -0.830 31.022 31.823 0.048 0.000 0.648 440 V HN 0.750 nan 8.190 nan 0.000 0.447 441 E N 0.447 120.706 120.200 0.098 0.000 2.049 441 E HA -0.299 4.051 4.350 0.000 0.000 0.198 441 E C 2.210 178.850 176.600 0.067 0.000 1.007 441 E CA 1.864 58.331 56.400 0.112 0.000 0.809 441 E CB -0.206 29.610 29.700 0.194 0.000 0.749 441 E HN 0.553 nan 8.360 nan 0.000 0.450 442 A N 0.507 123.389 122.820 0.103 0.000 1.930 442 A HA -0.033 4.287 4.320 0.000 0.000 0.217 442 A C 2.380 179.982 177.584 0.029 0.000 1.175 442 A CA 1.588 53.675 52.037 0.083 0.000 0.627 442 A CB -0.887 18.211 19.000 0.163 0.000 0.815 442 A HN 0.450 nan 8.150 nan 0.000 0.443 443 G N -0.389 108.433 108.800 0.038 0.000 2.402 443 G HA2 -0.173 3.787 3.960 0.000 0.000 0.216 443 G HA3 -0.173 3.787 3.960 0.000 0.000 0.216 443 G C 1.440 176.323 174.900 -0.029 0.000 1.162 443 G CA 0.915 46.025 45.100 0.016 0.000 0.777 443 G HN 0.633 nan 8.290 nan 0.000 0.539 444 E N -0.177 120.002 120.200 -0.036 0.000 2.072 444 E HA -0.069 4.281 4.350 0.000 0.000 0.191 444 E C 2.583 179.102 176.600 -0.135 0.000 0.985 444 E CA 0.240 56.601 56.400 -0.065 0.000 0.801 444 E CB -0.114 29.564 29.700 -0.036 0.000 0.750 444 E HN 0.177 nan 8.360 nan 0.000 0.452 445 R N 1.284 121.664 120.500 -0.200 0.000 2.073 445 R HA -0.128 4.212 4.340 0.000 0.000 0.234 445 R C 2.144 178.257 176.300 -0.311 0.000 1.134 445 R CA 1.593 57.452 56.100 -0.402 0.000 0.952 445 R CB -0.434 29.428 30.300 -0.730 0.000 0.850 445 R HN 0.155 nan 8.270 nan 0.000 0.433 446 A N 0.840 123.555 122.820 -0.176 0.000 1.908 446 A HA -0.105 4.215 4.320 0.000 0.000 0.218 446 A C 2.450 179.923 177.584 -0.185 0.000 1.181 446 A CA 2.019 53.995 52.037 -0.101 0.000 0.627 446 A CB -0.817 18.184 19.000 0.002 0.000 0.818 446 A HN 0.526 nan 8.150 nan 0.000 0.445 447 A N -0.163 122.565 122.820 -0.155 0.000 1.883 447 A HA -0.217 4.103 4.320 0.000 0.000 0.217 447 A C 2.255 179.710 177.584 -0.215 0.000 1.186 447 A CA 1.717 53.654 52.037 -0.167 0.000 0.624 447 A CB -0.508 18.430 19.000 -0.104 0.000 0.822 447 A HN 0.562 nan 8.150 nan 0.000 0.444 448 R N -0.528 119.853 120.500 -0.199 0.000 2.148 448 R HA -0.084 4.256 4.340 0.000 0.000 0.227 448 R C 2.056 178.233 176.300 -0.206 0.000 1.103 448 R CA 1.239 57.230 56.100 -0.182 0.000 0.983 448 R CB -0.271 29.930 30.300 -0.165 0.000 0.874 448 R HN 0.690 nan 8.270 nan 0.000 0.451 449 E N 0.678 120.714 120.200 -0.273 0.000 2.085 449 E HA -0.199 4.151 4.350 0.000 0.000 0.194 449 E C 1.959 178.235 176.600 -0.540 0.000 0.994 449 E CA 1.164 57.389 56.400 -0.292 0.000 0.801 449 E CB -0.095 29.468 29.700 -0.228 0.000 0.743 449 E HN 0.340 nan 8.360 nan 0.000 0.453 450 I N 0.909 121.030 120.570 -0.749 0.000 2.252 450 I HA -0.265 3.905 4.170 0.000 0.000 0.245 450 I C 2.328 178.115 176.117 -0.549 0.000 1.102 450 I CA 0.822 61.581 61.300 -0.901 0.000 1.385 450 I CB -0.153 37.361 38.000 -0.809 0.000 1.064 450 I HN 0.108 nan 8.210 nan 0.000 0.414 451 L N -0.055 120.976 121.223 -0.319 0.000 2.042 451 L HA -0.289 4.051 4.340 0.000 0.000 0.210 451 L C 2.733 179.529 176.870 -0.125 0.000 1.076 451 L CA 1.668 56.400 54.840 -0.180 0.000 0.749 451 L CB -0.914 41.078 42.059 -0.112 0.000 0.893 451 L HN 0.360 nan 8.230 nan 0.000 0.432 452 H N 0.103 119.060 119.070 -0.189 0.000 2.357 452 H HA -0.109 4.447 4.556 -0.000 0.000 0.301 452 H C 2.130 177.394 175.328 -0.107 0.000 1.082 452 H CA 1.460 57.438 56.048 -0.117 0.000 1.342 452 H CB 0.024 29.737 29.762 -0.083 0.000 1.389 452 H HN 0.256 nan 8.280 nan 0.000 0.511 453 A N 0.485 123.129 122.820 -0.293 0.000 1.978 453 A HA -0.177 4.143 4.320 0.000 0.000 0.220 453 A C 2.279 179.761 177.584 -0.169 0.000 1.170 453 A CA 1.877 53.760 52.037 -0.257 0.000 0.636 453 A CB -0.662 18.161 19.000 -0.294 0.000 0.810 453 A HN 0.575 nan 8.150 nan 0.000 0.448 454 M N -1.369 118.118 119.600 -0.189 0.000 2.618 454 M HA 0.160 4.640 4.480 0.000 0.000 0.240 454 M C 1.307 177.566 176.300 -0.069 0.000 1.123 454 M CA 0.724 55.988 55.300 -0.059 0.000 1.060 454 M CB 0.153 32.725 32.600 -0.046 0.000 1.535 454 M HN 0.614 nan 8.290 nan 0.000 0.507 455 G N 1.247 109.964 108.800 -0.137 0.000 2.160 455 G HA2 -0.278 3.682 3.960 0.000 0.000 0.251 455 G HA3 -0.278 3.682 3.960 0.000 0.000 0.251 455 G C 0.826 175.698 174.900 -0.048 0.000 1.008 455 G CA 0.526 45.562 45.100 -0.107 0.000 0.724 455 G HN 0.485 nan 8.290 nan 0.000 0.514 456 K N -0.567 119.806 120.400 -0.044 0.000 2.262 456 K HA 0.318 4.638 4.320 0.000 0.000 0.200 456 K C 1.371 177.973 176.600 0.002 0.000 1.049 456 K CA 1.262 57.537 56.287 -0.021 0.000 0.979 456 K CB 0.313 32.793 32.500 -0.034 0.000 0.773 456 K HN 0.811 nan 8.250 nan 0.000 0.474 457 I N -1.813 118.776 120.570 0.031 0.000 2.969 457 I HA 0.461 4.631 4.170 0.000 0.000 0.307 457 I C -2.978 173.232 176.117 0.155 0.000 1.149 457 I CA -3.003 58.333 61.300 0.061 0.000 1.008 457 I CB 2.344 40.364 38.000 0.033 0.000 1.232 457 I HN -0.255 nan 8.210 nan 0.000 0.435 458 P HA 0.114 nan 4.420 nan 0.000 0.274 458 P C 0.211 177.520 177.300 0.015 0.000 1.246 458 P CA -0.007 63.172 63.100 0.131 0.000 0.795 458 P CB 1.155 32.893 31.700 0.063 0.000 1.006 459 E N 0.854 120.968 120.200 -0.144 0.000 2.118 459 E HA -0.256 4.094 4.350 0.000 0.000 0.195 459 E C 0.939 177.450 176.600 -0.149 0.000 0.992 459 E CA 1.770 57.906 56.400 -0.440 0.000 0.804 459 E CB -0.233 29.286 29.700 -0.302 0.000 0.741 459 E HN 0.498 nan 8.360 nan 0.000 0.458 460 D N -0.270 120.104 120.400 -0.043 0.000 2.378 460 D HA -0.134 4.506 4.640 0.000 0.000 0.227 460 D C 0.908 177.230 176.300 0.036 0.000 1.012 460 D CA 0.645 54.655 54.000 0.016 0.000 0.905 460 D CB -0.149 40.663 40.800 0.020 0.000 0.895 460 D HN 0.314 nan 8.370 nan 0.000 0.532 461 E N -0.516 119.689 120.200 0.009 0.000 2.481 461 E HA 0.202 4.552 4.350 0.000 0.000 0.198 461 E C 1.690 178.286 176.600 -0.008 0.000 1.027 461 E CA -0.252 56.157 56.400 0.015 0.000 0.900 461 E CB 0.274 29.979 29.700 0.008 0.000 0.993 461 E HN 0.336 nan 8.360 nan 0.000 0.482 462 I N 0.029 120.583 120.570 -0.027 0.000 2.179 462 I HA -0.182 3.988 4.170 0.000 0.000 0.242 462 I C 0.450 176.439 176.117 -0.213 0.000 1.088 462 I CA 1.170 62.390 61.300 -0.133 0.000 1.357 462 I CB 0.066 37.983 38.000 -0.138 0.000 1.051 462 I HN 0.099 nan 8.210 nan 0.000 0.409 463 W N 1.757 123.054 121.300 -0.005 0.000 2.349 463 W HA 0.477 5.137 4.660 0.000 0.000 0.309 463 W C -0.297 176.228 176.519 0.010 0.000 1.083 463 W CA -0.309 57.045 57.345 0.015 0.000 1.224 463 W CB 0.630 30.102 29.460 0.019 0.000 1.256 463 W HN -0.052 nan 8.180 nan 0.000 0.461 464 Q N 2.060 121.978 119.800 0.197 0.000 2.353 464 Q HA 0.389 4.729 4.340 0.000 0.000 0.268 464 Q C 0.159 176.237 176.000 0.129 0.000 1.045 464 Q CA -0.833 55.047 55.803 0.127 0.000 0.811 464 Q CB 2.311 31.088 28.738 0.065 0.000 1.305 464 Q HN 0.543 nan 8.270 nan 0.000 0.447 465 S N 1.178 116.937 115.700 0.099 0.000 2.589 465 S HA 0.236 4.706 4.470 0.000 0.000 0.265 465 S C -0.140 174.505 174.600 0.074 0.000 1.342 465 S CA -0.485 57.765 58.200 0.083 0.000 1.005 465 S CB 1.096 64.329 63.200 0.054 0.000 0.909 465 S HN 0.602 nan 8.310 nan 0.000 0.555 466 E N 0.937 121.182 120.200 0.075 0.000 2.218 466 E HA 0.566 4.916 4.350 0.000 0.000 0.263 466 E C -2.805 173.827 176.600 0.054 0.000 0.879 466 E CA -2.160 54.281 56.400 0.067 0.000 0.762 466 E CB 1.047 30.799 29.700 0.086 0.000 1.166 466 E HN 0.535 nan 8.360 nan 0.000 0.415 467 P HA 0.058 nan 4.420 nan 0.000 0.269 467 P C -0.725 176.596 177.300 0.034 0.000 1.209 467 P CA -0.164 62.955 63.100 0.033 0.000 0.776 467 P CB 0.503 32.218 31.700 0.026 0.000 0.876 468 E N 1.546 121.765 120.200 0.030 0.000 2.384 468 E HA 0.076 4.426 4.350 0.000 0.000 0.266 468 E C -0.088 176.525 176.600 0.022 0.000 1.012 468 E CA -0.279 56.139 56.400 0.029 0.000 0.901 468 E CB 0.396 30.111 29.700 0.025 0.000 0.967 468 E HN 0.380 nan 8.360 nan 0.000 0.435 469 S N 2.937 118.648 115.700 0.018 0.000 2.563 469 S HA -0.062 4.408 4.470 0.000 0.000 0.294 469 S C 1.199 175.805 174.600 0.011 0.000 1.279 469 S CA -0.045 58.163 58.200 0.013 0.000 1.069 469 S CB 0.766 63.969 63.200 0.004 0.000 0.828 469 S HN 0.530 nan 8.310 nan 0.000 0.497 470 V N 1.911 121.833 119.914 0.012 0.000 2.871 470 V HA 0.064 4.184 4.120 0.000 0.000 0.256 470 V C 1.449 177.549 176.094 0.010 0.000 1.082 470 V CA 1.479 63.786 62.300 0.011 0.000 1.105 470 V CB -0.539 31.292 31.823 0.012 0.000 0.713 470 V HN 0.805 nan 8.190 nan 0.000 0.473 471 D N 0.962 121.368 120.400 0.010 0.000 2.240 471 D HA 0.109 4.749 4.640 0.000 0.000 0.206 471 D C 0.852 177.151 176.300 -0.001 0.000 0.963 471 D CA 1.085 55.091 54.000 0.010 0.000 0.863 471 D CB 0.831 41.642 40.800 0.018 0.000 0.973 471 D HN 0.519 nan 8.370 nan 0.000 0.501 472 V N 3.513 123.422 119.914 -0.009 0.000 2.405 472 V HA 0.194 4.314 4.120 0.000 0.000 0.253 472 V C -2.437 173.646 176.094 -0.019 0.000 0.963 472 V CA -1.271 61.013 62.300 -0.026 0.000 1.003 472 V CB 1.160 32.950 31.823 -0.054 0.000 1.251 472 V HN -0.049 nan 8.190 nan 0.000 0.520 473 P HA 0.332 nan 4.420 nan 0.000 0.271 473 P C -0.249 177.049 177.300 -0.002 0.000 1.218 473 P CA 0.175 63.274 63.100 -0.001 0.000 0.780 473 P CB 1.501 33.202 31.700 0.002 0.000 0.901 474 A N 3.318 126.142 122.820 0.007 0.000 2.301 474 A HA 0.346 4.666 4.320 0.000 0.000 0.298 474 A C 0.233 177.823 177.584 0.009 0.000 1.185 474 A CA -0.404 51.640 52.037 0.012 0.000 0.830 474 A CB 0.129 19.148 19.000 0.031 0.000 1.112 474 A HN 0.442 nan 8.150 nan 0.000 0.508 475 Q N 1.565 121.368 119.800 0.006 0.000 2.230 475 Q HA 0.445 4.785 4.340 0.000 0.000 0.248 475 Q C -2.402 173.601 176.000 0.005 0.000 0.915 475 Q CA -2.039 53.767 55.803 0.005 0.000 0.900 475 Q CB 0.622 29.361 28.738 0.003 0.000 1.229 475 Q HN 0.495 nan 8.270 nan 0.000 0.439 476 P HA 0.136 nan 4.420 nan 0.000 0.272 476 P C -0.356 176.942 177.300 -0.003 0.000 1.223 476 P CA -0.292 62.806 63.100 -0.002 0.000 0.784 476 P CB 0.555 32.253 31.700 -0.004 0.000 0.923 477 I N 2.106 122.670 120.570 -0.009 0.000 2.416 477 I HA 0.189 4.359 4.170 0.000 0.000 0.288 477 I C 1.107 177.215 176.117 -0.014 0.000 1.051 477 I CA 0.240 61.534 61.300 -0.011 0.000 1.375 477 I CB 0.118 38.106 38.000 -0.021 0.000 1.407 477 I HN 0.425 nan 8.210 nan 0.000 0.516 478 T N 2.024 116.573 114.554 -0.008 0.000 2.930 478 T HA 0.846 5.196 4.350 0.000 0.000 0.290 478 T C -0.098 174.590 174.700 -0.021 0.000 1.052 478 T CA -0.682 61.412 62.100 -0.011 0.000 1.017 478 T CB 2.256 71.125 68.868 0.001 0.000 1.137 478 T HN 0.653 nan 8.240 nan 0.000 0.511 479 T N -1.395 113.143 114.554 -0.027 0.000 2.906 479 T HA 0.727 5.077 4.350 0.000 0.000 0.295 479 T C 0.124 174.817 174.700 -0.011 0.000 1.075 479 T CA -0.702 61.371 62.100 -0.045 0.000 1.005 479 T CB 1.355 70.172 68.868 -0.086 0.000 1.136 479 T HN 1.054 nan 8.240 nan 0.000 0.498 480 T N -0.461 114.090 114.554 -0.004 0.000 2.902 480 T HA 0.442 4.792 4.350 0.000 0.000 0.280 480 T C 0.855 175.608 174.700 0.088 0.000 0.992 480 T CA -0.860 61.275 62.100 0.058 0.000 1.015 480 T CB 0.758 69.663 68.868 0.063 0.000 1.044 480 T HN 0.534 nan 8.240 nan 0.000 0.520 481 F N 0.907 120.878 119.950 0.034 0.000 2.091 481 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 481 F C 1.932 177.805 175.800 0.123 0.000 1.103 481 F CA 1.520 59.585 58.000 0.109 0.000 1.228 481 F CB -0.476 38.585 39.000 0.102 0.000 0.984 481 F HN 0.517 nan 8.300 nan 0.000 0.477 482 L N -0.113 121.231 121.223 0.202 0.000 2.046 482 L HA -0.207 4.133 4.340 0.000 0.000 0.208 482 L C 2.377 179.249 176.870 0.003 0.000 1.077 482 L CA 1.647 56.551 54.840 0.107 0.000 0.747 482 L CB -0.777 41.365 42.059 0.139 0.000 0.896 482 L HN 0.161 nan 8.230 nan 0.000 0.432 483 E N -0.109 120.079 120.200 -0.019 0.000 2.085 483 E HA -0.224 4.126 4.350 0.000 0.000 0.194 483 E C 2.361 178.844 176.600 -0.195 0.000 0.994 483 E CA 1.073 57.419 56.400 -0.090 0.000 0.801 483 E CB -0.010 29.624 29.700 -0.109 0.000 0.743 483 E HN 0.397 nan 8.360 nan 0.000 0.453 484 R N -0.432 119.886 120.500 -0.303 0.000 2.090 484 R HA -0.049 4.291 4.340 0.000 0.000 0.228 484 R C 1.697 177.581 176.300 -0.692 0.000 1.110 484 R CA 1.016 56.788 56.100 -0.547 0.000 0.973 484 R CB 0.037 29.893 30.300 -0.740 0.000 0.869 484 R HN 0.315 nan 8.270 nan 0.000 0.440 485 H N -0.880 118.001 119.070 -0.315 0.000 3.046 485 H HA 0.210 4.766 4.556 0.000 0.000 0.262 485 H C 0.383 175.611 175.328 -0.167 0.000 1.044 485 H CA -0.215 55.649 56.048 -0.307 0.000 1.209 485 H CB 0.512 29.937 29.762 -0.562 0.000 1.507 485 H HN 0.015 nan 8.280 nan 0.000 0.507 486 L N 4.553 125.760 121.223 -0.027 0.000 2.490 486 L HA 0.047 4.387 4.340 0.000 0.000 0.274 486 L C -1.638 175.221 176.870 -0.019 0.000 1.201 486 L CA -1.369 53.479 54.840 0.013 0.000 0.869 486 L CB 0.292 42.396 42.059 0.075 0.000 1.123 486 L HN -0.011 nan 8.230 nan 0.000 0.484 487 P HA 0.100 nan 4.420 nan 0.000 0.274 487 P C -0.572 176.689 177.300 -0.066 0.000 1.237 487 P CA -0.565 62.508 63.100 -0.045 0.000 0.793 487 P CB 0.924 32.596 31.700 -0.047 0.000 0.977 488 S N 0.074 115.716 115.700 -0.096 0.000 2.626 488 S HA 0.094 4.564 4.470 0.000 0.000 0.257 488 S C 1.518 175.992 174.600 -0.208 0.000 1.288 488 S CA -0.549 57.572 58.200 -0.132 0.000 0.980 488 S CB -0.372 62.749 63.200 -0.132 0.000 0.975 488 S HN 0.217 nan 8.310 nan 0.000 0.577 489 V N 2.407 122.133 119.914 -0.313 0.000 2.261 489 V HA -0.075 4.045 4.120 0.000 0.000 0.246 489 V C -0.430 175.262 176.094 -0.669 0.000 1.047 489 V CA 1.963 63.984 62.300 -0.464 0.000 1.015 489 V CB -1.930 29.596 31.823 -0.496 0.000 0.642 489 V HN 0.802 nan 8.190 nan 0.000 0.446 490 P HA -0.114 nan 4.420 nan 0.000 0.218 490 P C 1.752 178.859 177.300 -0.322 0.000 1.149 490 P CA 1.987 64.661 63.100 -0.709 0.000 0.817 490 P CB -0.306 31.086 31.700 -0.514 0.000 0.785 491 G N 0.636 109.290 108.800 -0.243 0.000 2.418 491 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 491 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 491 G C 1.513 176.339 174.900 -0.123 0.000 1.158 491 G CA 0.610 45.626 45.100 -0.139 0.000 0.771 491 G HN 0.259 nan 8.290 nan 0.000 0.545 492 L N 0.333 121.467 121.223 -0.148 0.000 2.141 492 L HA 0.176 4.516 4.340 0.000 0.000 0.209 492 L C 2.605 179.410 176.870 -0.108 0.000 1.094 492 L CA 1.200 55.975 54.840 -0.108 0.000 0.763 492 L CB -0.253 41.746 42.059 -0.099 0.000 0.908 492 L HN 0.202 nan 8.230 nan 0.000 0.437 493 L N -1.121 120.006 121.223 -0.160 0.000 2.093 493 L HA -0.132 4.208 4.340 0.000 0.000 0.208 493 L C 2.720 179.542 176.870 -0.081 0.000 1.085 493 L CA 0.968 55.733 54.840 -0.126 0.000 0.755 493 L CB -0.509 41.442 42.059 -0.181 0.000 0.904 493 L HN 0.196 nan 8.230 nan 0.000 0.435 494 R N -0.259 120.190 120.500 -0.085 0.000 2.092 494 R HA -0.144 4.196 4.340 0.000 0.000 0.231 494 R C 2.218 178.497 176.300 -0.036 0.000 1.119 494 R CA 1.056 57.127 56.100 -0.049 0.000 0.970 494 R CB -0.349 29.924 30.300 -0.046 0.000 0.864 494 R HN 0.171 nan 8.270 nan 0.000 0.440 495 L N 0.801 121.999 121.223 -0.042 0.000 2.191 495 L HA -0.049 4.291 4.340 0.000 0.000 0.212 495 L C 0.974 177.830 176.870 -0.023 0.000 1.103 495 L CA 1.430 56.253 54.840 -0.029 0.000 0.769 495 L CB -0.021 42.020 42.059 -0.030 0.000 0.908 495 L HN 0.046 nan 8.230 nan 0.000 0.438 496 I N 0.000 120.553 120.570 -0.029 0.000 2.984 496 I HA 0.000 4.170 4.170 0.000 0.000 0.288 496 I CA 0.000 61.288 61.300 -0.020 0.000 1.566 496 I CB 0.000 37.987 38.000 -0.022 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494